data_4DQO # _entry.id 4DQO # _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 4DQO RCSB RCSB070662 WWPDB D_1000070662 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3MME . unspecified PDB 3MUG . unspecified PDB 3U2S . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4DQO _pdbx_database_status.recvd_initial_deposition_date 2012-02-16 _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.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Pancera, M.' 1 'McLellan, J.S.' 2 'Kwong, P.D.' 3 # _citation.id primary _citation.title 'Structural basis for diverse N-glycan recognition by HIV-1-neutralizing V1-V2-directed antibody PG16.' _citation.journal_abbrev Nat.Struct.Mol.Biol. _citation.journal_volume 20 _citation.page_first 804 _citation.page_last 813 _citation.year 2013 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1545-9993 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 23708607 _citation.pdbx_database_id_DOI 10.1038/nsmb.2600 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Pancera, M.' 1 primary 'Shahzad-Ul-Hussan, S.' 2 primary 'Doria-Rose, N.A.' 3 primary 'McLellan, J.S.' 4 primary 'Bailer, R.T.' 5 primary 'Dai, K.' 6 primary 'Loesgen, S.' 7 primary 'Louder, M.K.' 8 primary 'Staupe, R.P.' 9 primary 'Yang, Y.' 10 primary 'Zhang, B.' 11 primary 'Parks, R.' 12 primary 'Eudailey, J.' 13 primary 'Lloyd, K.E.' 14 primary 'Blinn, J.' 15 primary 'Alam, S.M.' 16 primary 'Haynes, B.F.' 17 primary 'Amin, M.N.' 18 primary 'Wang, L.X.' 19 primary 'Burton, D.R.' 20 primary 'Koff, W.C.' 21 primary 'Nabel, G.J.' 22 primary 'Mascola, J.R.' 23 primary 'Bewley, C.A.' 24 primary 'Kwong, P.D.' 25 # _cell.entry_id 4DQO _cell.length_a 81.054 _cell.length_b 207.561 _cell.length_c 87.617 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4DQO _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 # 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 'PG16 Fab Heavy Chain' 26831.088 1 ? ? ? ? 2 polymer man 'PG16 Fab Light Chain' 22713.072 1 ? ? ? ? 3 polymer man '1FD6-V1V2 scaffold ZM109 HIV-1 strain' 13489.955 1 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 5 non-polymer man BETA-D-MANNOSE 180.156 2 ? ? ? ? 6 non-polymer man ALPHA-D-MANNOSE 180.156 8 ? ? ? ? 7 non-polymer man BETA-D-GALACTOSE 180.156 1 ? ? ? ? 8 non-polymer man 'O-SIALIC ACID' 309.270 1 ? ? ? ? 9 water nat water 18.015 148 ? ? ? ? # 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 yes ;(PCA)EQLVESGGGVVQPGGSLRLSCLASGFTFHKYGMHWVRQAPGKGLEWVALISDDGMRKYHSDSMWGRVTISRDNSK NTLYLQFSSLKVEDTAMFFCAREAGGPIWHDDVKY(TYS)DFNDGYYNYHYMDVWGKGTTVTVSSASTKGPSVFPLAPSS KSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVD KRVEPKSCGLEVLF ; ;EEQLVESGGGVVQPGGSLRLSCLASGFTFHKYGMHWVRQAPGKGLEWVALISDDGMRKYHSDSMWGRVTISRDNSKNTLY LQFSSLKVEDTAMFFCAREAGGPIWHDDVKYYDFNDGYYNYHYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTA ALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC GLEVLF ; H ? 2 'polypeptide(L)' no no ;QSALTQPASVSGSPGQTITISCQGTSSDVGGFDSVSWYQQSPGKAPKVMVFDVSHRPSGISNRFSGSKSGNTASLTISGL HIEDEGDYFCSSLTDRSHRIFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVK AGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS ; ;QSALTQPASVSGSPGQTITISCQGTSSDVGGFDSVSWYQQSPGKAPKVMVFDVSHRPSGISNRFSGSKSGNTASLTISGL HIEDEGDYFCSSLTDRSHRIFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVK AGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS ; L ? 3 'polypeptide(L)' no no ;MTTFKLAACVTLACTSPAAHAESETRVKHCSFNITTDVKDRKQKVNATFYDLDIVPLSSSDASSASSLYRLISCQTTTTE AVDAATAAKVFKQYANDNGIDGEWTYDDATKTFTVTEGLEVLFQ ; ;MTTFKLAACVTLACTSPAAHAESETRVKHCSFNITTDVKDRKQKVNATFYDLDIVPLSSSDASSASSLYRLISCQTTTTE AVDAATAAKVFKQYANDNGIDGEWTYDDATKTFTVTEGLEVLFQ ; C ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PCA n 1 2 GLU n 1 3 GLN n 1 4 LEU n 1 5 VAL n 1 6 GLU n 1 7 SER n 1 8 GLY n 1 9 GLY n 1 10 GLY n 1 11 VAL n 1 12 VAL n 1 13 GLN n 1 14 PRO n 1 15 GLY n 1 16 GLY n 1 17 SER n 1 18 LEU n 1 19 ARG n 1 20 LEU n 1 21 SER n 1 22 CYS n 1 23 LEU n 1 24 ALA n 1 25 SER n 1 26 GLY n 1 27 PHE n 1 28 THR n 1 29 PHE n 1 30 HIS n 1 31 LYS n 1 32 TYR n 1 33 GLY n 1 34 MET n 1 35 HIS n 1 36 TRP n 1 37 VAL n 1 38 ARG n 1 39 GLN n 1 40 ALA n 1 41 PRO n 1 42 GLY n 1 43 LYS n 1 44 GLY n 1 45 LEU n 1 46 GLU n 1 47 TRP n 1 48 VAL n 1 49 ALA n 1 50 LEU n 1 51 ILE n 1 52 SER n 1 53 ASP n 1 54 ASP n 1 55 GLY n 1 56 MET n 1 57 ARG n 1 58 LYS n 1 59 TYR n 1 60 HIS n 1 61 SER n 1 62 ASP n 1 63 SER n 1 64 MET n 1 65 TRP n 1 66 GLY n 1 67 ARG n 1 68 VAL n 1 69 THR n 1 70 ILE n 1 71 SER n 1 72 ARG n 1 73 ASP n 1 74 ASN n 1 75 SER n 1 76 LYS n 1 77 ASN n 1 78 THR n 1 79 LEU n 1 80 TYR n 1 81 LEU n 1 82 GLN n 1 83 PHE n 1 84 SER n 1 85 SER n 1 86 LEU n 1 87 LYS n 1 88 VAL n 1 89 GLU n 1 90 ASP n 1 91 THR n 1 92 ALA n 1 93 MET n 1 94 PHE n 1 95 PHE n 1 96 CYS n 1 97 ALA n 1 98 ARG n 1 99 GLU n 1 100 ALA n 1 101 GLY n 1 102 GLY n 1 103 PRO n 1 104 ILE n 1 105 TRP n 1 106 HIS n 1 107 ASP n 1 108 ASP n 1 109 VAL n 1 110 LYS n 1 111 TYR n 1 112 TYS n 1 113 ASP n 1 114 PHE n 1 115 ASN n 1 116 ASP n 1 117 GLY n 1 118 TYR n 1 119 TYR n 1 120 ASN n 1 121 TYR n 1 122 HIS n 1 123 TYR n 1 124 MET n 1 125 ASP n 1 126 VAL n 1 127 TRP n 1 128 GLY n 1 129 LYS n 1 130 GLY n 1 131 THR n 1 132 THR n 1 133 VAL n 1 134 THR n 1 135 VAL n 1 136 SER n 1 137 SER n 1 138 ALA n 1 139 SER n 1 140 THR n 1 141 LYS n 1 142 GLY n 1 143 PRO n 1 144 SER n 1 145 VAL n 1 146 PHE n 1 147 PRO n 1 148 LEU n 1 149 ALA n 1 150 PRO n 1 151 SER n 1 152 SER n 1 153 LYS n 1 154 SER n 1 155 THR n 1 156 SER n 1 157 GLY n 1 158 GLY n 1 159 THR n 1 160 ALA n 1 161 ALA n 1 162 LEU n 1 163 GLY n 1 164 CYS n 1 165 LEU n 1 166 VAL n 1 167 LYS n 1 168 ASP n 1 169 TYR n 1 170 PHE n 1 171 PRO n 1 172 GLU n 1 173 PRO n 1 174 VAL n 1 175 THR n 1 176 VAL n 1 177 SER n 1 178 TRP n 1 179 ASN n 1 180 SER n 1 181 GLY n 1 182 ALA n 1 183 LEU n 1 184 THR n 1 185 SER n 1 186 GLY n 1 187 VAL n 1 188 HIS n 1 189 THR n 1 190 PHE n 1 191 PRO n 1 192 ALA n 1 193 VAL n 1 194 LEU n 1 195 GLN n 1 196 SER n 1 197 SER n 1 198 GLY n 1 199 LEU n 1 200 TYR n 1 201 SER n 1 202 LEU n 1 203 SER n 1 204 SER n 1 205 VAL n 1 206 VAL n 1 207 THR n 1 208 VAL n 1 209 PRO n 1 210 SER n 1 211 SER n 1 212 SER n 1 213 LEU n 1 214 GLY n 1 215 THR n 1 216 GLN n 1 217 THR n 1 218 TYR n 1 219 ILE n 1 220 CYS n 1 221 ASN n 1 222 VAL n 1 223 ASN n 1 224 HIS n 1 225 LYS n 1 226 PRO n 1 227 SER n 1 228 ASN n 1 229 THR n 1 230 LYS n 1 231 VAL n 1 232 ASP n 1 233 LYS n 1 234 ARG n 1 235 VAL n 1 236 GLU n 1 237 PRO n 1 238 LYS n 1 239 SER n 1 240 CYS n 1 241 GLY n 1 242 LEU n 1 243 GLU n 1 244 VAL n 1 245 LEU n 1 246 PHE n 2 1 GLN n 2 2 SER n 2 3 ALA n 2 4 LEU n 2 5 THR n 2 6 GLN n 2 7 PRO n 2 8 ALA n 2 9 SER n 2 10 VAL n 2 11 SER n 2 12 GLY n 2 13 SER n 2 14 PRO n 2 15 GLY n 2 16 GLN n 2 17 THR n 2 18 ILE n 2 19 THR n 2 20 ILE n 2 21 SER n 2 22 CYS n 2 23 GLN n 2 24 GLY n 2 25 THR n 2 26 SER n 2 27 SER n 2 28 ASP n 2 29 VAL n 2 30 GLY n 2 31 GLY n 2 32 PHE n 2 33 ASP n 2 34 SER n 2 35 VAL n 2 36 SER n 2 37 TRP n 2 38 TYR n 2 39 GLN n 2 40 GLN n 2 41 SER n 2 42 PRO n 2 43 GLY n 2 44 LYS n 2 45 ALA n 2 46 PRO n 2 47 LYS n 2 48 VAL n 2 49 MET n 2 50 VAL n 2 51 PHE n 2 52 ASP n 2 53 VAL n 2 54 SER n 2 55 HIS n 2 56 ARG n 2 57 PRO n 2 58 SER n 2 59 GLY n 2 60 ILE n 2 61 SER n 2 62 ASN n 2 63 ARG n 2 64 PHE n 2 65 SER n 2 66 GLY n 2 67 SER n 2 68 LYS n 2 69 SER n 2 70 GLY n 2 71 ASN n 2 72 THR n 2 73 ALA n 2 74 SER n 2 75 LEU n 2 76 THR n 2 77 ILE n 2 78 SER n 2 79 GLY n 2 80 LEU n 2 81 HIS n 2 82 ILE n 2 83 GLU n 2 84 ASP n 2 85 GLU n 2 86 GLY n 2 87 ASP n 2 88 TYR n 2 89 PHE n 2 90 CYS n 2 91 SER n 2 92 SER n 2 93 LEU n 2 94 THR n 2 95 ASP n 2 96 ARG n 2 97 SER n 2 98 HIS n 2 99 ARG n 2 100 ILE n 2 101 PHE n 2 102 GLY n 2 103 GLY n 2 104 GLY n 2 105 THR n 2 106 LYS n 2 107 VAL n 2 108 THR n 2 109 VAL n 2 110 LEU n 2 111 GLY n 2 112 GLN n 2 113 PRO n 2 114 LYS n 2 115 ALA n 2 116 ALA n 2 117 PRO n 2 118 SER n 2 119 VAL n 2 120 THR n 2 121 LEU n 2 122 PHE n 2 123 PRO n 2 124 PRO n 2 125 SER n 2 126 SER n 2 127 GLU n 2 128 GLU n 2 129 LEU n 2 130 GLN n 2 131 ALA n 2 132 ASN n 2 133 LYS n 2 134 ALA n 2 135 THR n 2 136 LEU n 2 137 VAL n 2 138 CYS n 2 139 LEU n 2 140 ILE n 2 141 SER n 2 142 ASP n 2 143 PHE n 2 144 TYR n 2 145 PRO n 2 146 GLY n 2 147 ALA n 2 148 VAL n 2 149 THR n 2 150 VAL n 2 151 ALA n 2 152 TRP n 2 153 LYS n 2 154 ALA n 2 155 ASP n 2 156 SER n 2 157 SER n 2 158 PRO n 2 159 VAL n 2 160 LYS n 2 161 ALA n 2 162 GLY n 2 163 VAL n 2 164 GLU n 2 165 THR n 2 166 THR n 2 167 THR n 2 168 PRO n 2 169 SER n 2 170 LYS n 2 171 GLN n 2 172 SER n 2 173 ASN n 2 174 ASN n 2 175 LYS n 2 176 TYR n 2 177 ALA n 2 178 ALA n 2 179 SER n 2 180 SER n 2 181 TYR n 2 182 LEU n 2 183 SER n 2 184 LEU n 2 185 THR n 2 186 PRO n 2 187 GLU n 2 188 GLN n 2 189 TRP n 2 190 LYS n 2 191 SER n 2 192 HIS n 2 193 LYS n 2 194 SER n 2 195 TYR n 2 196 SER n 2 197 CYS n 2 198 GLN n 2 199 VAL n 2 200 THR n 2 201 HIS n 2 202 GLU n 2 203 GLY n 2 204 SER n 2 205 THR n 2 206 VAL n 2 207 GLU n 2 208 LYS n 2 209 THR n 2 210 VAL n 2 211 ALA n 2 212 PRO n 2 213 THR n 2 214 GLU n 2 215 CYS n 2 216 SER n 3 1 MET n 3 2 THR n 3 3 THR n 3 4 PHE n 3 5 LYS n 3 6 LEU n 3 7 ALA n 3 8 ALA n 3 9 CYS n 3 10 VAL n 3 11 THR n 3 12 LEU n 3 13 ALA n 3 14 CYS n 3 15 THR n 3 16 SER n 3 17 PRO n 3 18 ALA n 3 19 ALA n 3 20 HIS n 3 21 ALA n 3 22 GLU n 3 23 SER n 3 24 GLU n 3 25 THR n 3 26 ARG n 3 27 VAL n 3 28 LYS n 3 29 HIS n 3 30 CYS n 3 31 SER n 3 32 PHE n 3 33 ASN n 3 34 ILE n 3 35 THR n 3 36 THR n 3 37 ASP n 3 38 VAL n 3 39 LYS n 3 40 ASP n 3 41 ARG n 3 42 LYS n 3 43 GLN n 3 44 LYS n 3 45 VAL n 3 46 ASN n 3 47 ALA n 3 48 THR n 3 49 PHE n 3 50 TYR n 3 51 ASP n 3 52 LEU n 3 53 ASP n 3 54 ILE n 3 55 VAL n 3 56 PRO n 3 57 LEU n 3 58 SER n 3 59 SER n 3 60 SER n 3 61 ASP n 3 62 ALA n 3 63 SER n 3 64 SER n 3 65 ALA n 3 66 SER n 3 67 SER n 3 68 LEU n 3 69 TYR n 3 70 ARG n 3 71 LEU n 3 72 ILE n 3 73 SER n 3 74 CYS n 3 75 GLN n 3 76 THR n 3 77 THR n 3 78 THR n 3 79 THR n 3 80 GLU n 3 81 ALA n 3 82 VAL n 3 83 ASP n 3 84 ALA n 3 85 ALA n 3 86 THR n 3 87 ALA n 3 88 ALA n 3 89 LYS n 3 90 VAL n 3 91 PHE n 3 92 LYS n 3 93 GLN n 3 94 TYR n 3 95 ALA n 3 96 ASN n 3 97 ASP n 3 98 ASN n 3 99 GLY n 3 100 ILE n 3 101 ASP n 3 102 GLY n 3 103 GLU n 3 104 TRP n 3 105 THR n 3 106 TYR n 3 107 ASP n 3 108 ASP n 3 109 ALA n 3 110 THR n 3 111 LYS n 3 112 THR n 3 113 PHE n 3 114 THR n 3 115 VAL n 3 116 THR n 3 117 GLU n 3 118 GLY n 3 119 LEU n 3 120 GLU n 3 121 VAL n 3 122 LEU n 3 123 PHE n 3 124 GLN n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? GnTI- ? HEK293F ? ? ? ? ? Plasmid ? ? ? pVRC8400 ? ? 2 1 sample ? ? ? human ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? GnTI- ? HEK293F ? ? ? ? ? Plasmid ? ? ? PVRC8400 ? ? 3 1 sample ? ? ? ? ? ? ? ? ? ? ? ? 'Human immunodeficiency virus 1' 11676 ? ? ? ? ? ? ? human 'Homo sapiens' 9606 ? ? ? ? ? ? GnTI- ? HEK293F ? ? ? ? ? Plasmid ? ? ? PVRC8400 ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_align_begin _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_db_isoform 1 PDB 4DQO 4DQO 1 ? ;EEQLVESGGGVVQPGGSLRLSCLASGFTFHKYGMHWVRQAPGKGLEWVALISDDGMRKYHSDSMWGRVTISRDNSKNTLY LQFSSLKVEDTAMFFCAREAGGPIWHDDVKYYDFNDGYYNYHYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTA ALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC GLEVLF ; ? 2 PDB 4DQO 4DQO 2 ? ;QSALTQPASVSGSPGQTITISCQGTSSDVGGFDSVSWYQQSPGKAPKVMVFDVSHRPSGISNRFSGSKSGNTASLTISGL HIEDEGDYFCSSLTDRSHRIFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVK AGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS ; ? 3 PDB 4DQO 4DQO 3 ? ;MTTFKLAACVTLACTSPAAHAESETRVKHCSFNITTDVKDRKQKVNATFYDLDIVPLSSSDASSASSLYRLISCQTTTTE AVDAATAAKVFKQYANDNGIDGEWTYDDATKTFTVTEGLEVLFQ ; ? # 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 4DQO H 1 ? 246 ? 4DQO 1 ? 222 ? 1 222 2 2 4DQO L 1 ? 216 ? 4DQO 1 ? 212 ? 1 212 3 3 4DQO C 1 ? 124 ? 4DQO 118 ? 246 ? 118 246 # 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 GAL D-saccharide . BETA-D-GALACTOSE ? 'C6 H12 O6' 180.156 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PCA 'L-peptide linking' n 'PYROGLUTAMIC ACID' ? 'C5 H7 N O3' 129.114 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 SIA non-polymer . 'O-SIALIC ACID' ? 'C11 H19 N O9' 309.270 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 TYS 'L-peptide linking' n O-SULFO-L-TYROSINE ? 'C9 H11 N O6 S' 261.252 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4DQO _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.92 _exptl_crystal.density_percent_sol 57.92 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.5 _exptl_crystal_grow.pdbx_details '20% Isopropanol, 15% PEG 3550, 0.2M ammonium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2011-01-01 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator SI220 _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.00 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'APS BEAMLINE 22-ID' _diffrn_source.pdbx_synchrotron_site APS _diffrn_source.pdbx_synchrotron_beamline 22-ID _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.00 # _reflns.entry_id 4DQO _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50 _reflns.d_resolution_high 2.43 _reflns.number_obs 25408 _reflns.number_all 25408 _reflns.percent_possible_obs 91 _reflns.pdbx_Rmerge_I_obs 0.174 _reflns.pdbx_Rsym_value 0.181 _reflns.pdbx_netI_over_sigmaI 8.7 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 5.5 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.43 _reflns_shell.d_res_low 2.52 _reflns_shell.percent_possible_all 61.4 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 1.4 _reflns_shell.pdbx_redundancy 3.2 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 1700 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 4DQO _refine.ls_number_reflns_obs 25294 _refine.ls_number_reflns_all 25294 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.35 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 45.112 _refine.ls_d_res_high 2.438 _refine.ls_percent_reflns_obs 90.33 _refine.ls_R_factor_obs 0.2028 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2014 _refine.ls_R_factor_R_free 0.2295 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.02 _refine.ls_number_reflns_R_free 1271 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] 12.8664 _refine.aniso_B[2][2] -7.0669 _refine.aniso_B[3][3] -5.7995 _refine.aniso_B[1][2] -0.0000 _refine.aniso_B[1][3] -0.0000 _refine.aniso_B[2][3] -0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.304 _refine.solvent_model_param_bsol 37.990 _refine.pdbx_solvent_vdw_probe_radii 1.10 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.86 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model 3MUG _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details Random _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.79 _refine.pdbx_overall_phase_error 24.45 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _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_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _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 4109 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 211 _refine_hist.number_atoms_solvent 148 _refine_hist.number_atoms_total 4468 _refine_hist.d_res_high 2.438 _refine_hist.d_res_low 45.112 # 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_restraint_function _refine_ls_restr.pdbx_refine_id f_bond_d 0.002 ? ? 4457 ? 'X-RAY DIFFRACTION' f_angle_d 0.723 ? ? 6079 ? 'X-RAY DIFFRACTION' f_dihedral_angle_d 24.334 ? ? 1656 ? 'X-RAY DIFFRACTION' f_chiral_restr 0.042 ? ? 731 ? 'X-RAY DIFFRACTION' f_plane_restr 0.003 ? ? 737 ? 'X-RAY DIFFRACTION' # loop_ _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _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 . 2.4383 2.5359 1778 0.3068 61.00 0.3251 . . 96 . . . . 'X-RAY DIFFRACTION' . 2.5359 2.6513 2123 0.2787 73.00 0.3158 . . 117 . . . . 'X-RAY DIFFRACTION' . 2.6513 2.7910 2469 0.2648 85.00 0.2780 . . 132 . . . . 'X-RAY DIFFRACTION' . 2.7910 2.9659 2796 0.2388 96.00 0.2815 . . 157 . . . . 'X-RAY DIFFRACTION' . 2.9659 3.1948 2920 0.2316 99.00 0.2787 . . 137 . . . . 'X-RAY DIFFRACTION' . 3.1948 3.5162 2914 0.2186 99.00 0.2705 . . 158 . . . . 'X-RAY DIFFRACTION' . 3.5162 4.0247 2942 0.1876 100.00 0.2150 . . 166 . . . . 'X-RAY DIFFRACTION' . 4.0247 5.0696 2992 0.1464 100.00 0.1696 . . 159 . . . . 'X-RAY DIFFRACTION' . 5.0696 45.1195 3089 0.1858 99.00 0.1983 . . 149 . . . . 'X-RAY DIFFRACTION' # _struct.entry_id 4DQO _struct.title 'Crystal Structure of PG16 Fab in Complex with V1V2 Region from HIV-1 strain ZM109' _struct.pdbx_descriptor 'PG16 Fab Heavy Chain, PG16 Fab Light Chain, 1FD6-V1V2 scaffold ZM109 HIV-1 strain' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4DQO _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'immunoglobulin, immune recognition, immune system, glycan, HIV-1, V1V2, Envelope glycoprotein' # 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 5 ? G N N 6 ? H N N 6 ? I N N 6 ? J N N 6 ? K N N 4 ? L N N 4 ? M N N 5 ? N N N 6 ? O N N 6 ? P N N 6 ? Q N N 6 ? R N N 4 ? S N N 7 ? T N N 8 ? U N N 9 ? V N N 9 ? W N N 9 ? # _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 THR A 28 ? TYR A 32 ? THR H 28 TYR H 32 5 ? 5 HELX_P HELX_P2 2 ASN A 74 ? LYS A 76 ? ASN H 73 LYS H 75 5 ? 3 HELX_P HELX_P3 3 LYS A 87 ? THR A 91 ? LYS H 83 THR H 87 5 ? 5 HELX_P HELX_P4 4 ASP A 113 I GLY A 117 M ASP H 100 GLY H 100 5 ? 5 HELX_P HELX_P5 5 SER A 180 ? ALA A 182 ? SER H 156 ALA H 158 5 ? 3 HELX_P HELX_P6 6 SER A 211 ? LEU A 213 ? SER H 187 LEU H 189 5 ? 3 HELX_P HELX_P7 7 LYS A 225 ? ASN A 228 ? LYS H 201 ASN H 204 5 ? 4 HELX_P HELX_P8 8 HIS B 81 ? GLU B 85 ? HIS L 79 GLU L 83 5 ? 5 HELX_P HELX_P9 9 SER B 125 ? ALA B 131 ? SER L 121 ALA L 127 1 ? 7 HELX_P HELX_P10 10 THR B 185 ? LYS B 190 ? THR L 181 LYS L 186 1 ? 6 HELX_P HELX_P11 11 ALA C 85 ? GLN C 93 ? ALA C 207 GLN C 215 1 ? 9 # _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 22 SG ? ? ? 1_555 A CYS 96 SG ? ? H CYS 22 H CYS 92 1_555 ? ? ? ? ? ? ? 2.039 ? disulf2 disulf ? ? A CYS 164 SG ? ? ? 1_555 A CYS 220 SG ? ? H CYS 140 H CYS 196 1_555 ? ? ? ? ? ? ? 2.031 ? disulf3 disulf ? ? B CYS 22 SG ? ? ? 1_555 B CYS 90 SG ? ? L CYS 23 L CYS 88 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? B CYS 138 SG ? ? ? 1_555 B CYS 197 SG ? ? L CYS 134 L CYS 193 1_555 ? ? ? ? ? ? ? 2.036 ? disulf5 disulf ? ? C CYS 9 SG ? ? ? 1_555 C CYS 74 SG ? ? C CYS 126 C CYS 196 1_555 ? ? ? ? ? ? ? 2.031 ? disulf6 disulf ? ? C CYS 14 SG ? ? ? 1_555 C CYS 30 SG ? ? C CYS 131 C CYS 157 1_555 ? ? ? ? ? ? ? 2.031 ? covale1 covale ? ? A PCA 1 C ? ? ? 1_555 A GLU 2 N ? ? H PCA 1 H GLU 2 1_555 ? ? ? ? ? ? ? 1.329 ? covale2 covale ? ? A TYS 112 C ? H ? 1_555 A ASP 113 N ? I H TYS 100 H ASP 100 1_555 ? ? ? ? ? ? ? 1.328 ? covale3 covale ? ? A TYR 111 C ? G ? 1_555 A TYS 112 N ? H H TYR 100 H TYS 100 1_555 ? ? ? ? ? ? ? 1.329 ? covale4 covale ? ? H MAN . O6 ? ? ? 1_555 I MAN . C1 ? ? C MAN 564 C MAN 565 1_555 ? ? ? ? ? ? ? 1.433 ? covale5 covale ? ? R NAG . O4 ? ? ? 1_555 S GAL . C1 ? ? C NAG 580 C GAL 581 1_555 ? ? ? ? ? ? ? 1.434 ? covale6 covale ? ? F BMA . O6 ? ? ? 1_555 H MAN . C1 ? ? C BMA 562 C MAN 564 1_555 ? ? ? ? ? ? ? 1.434 ? covale7 covale ? ? N MAN . O3 ? ? ? 1_555 P MAN . C1 ? ? C MAN 576 C MAN 578 1_555 ? ? ? ? ? ? ? 1.435 ? covale8 covale ? ? Q MAN . O2 ? ? ? 1_555 R NAG . C1 ? ? C MAN 579 C NAG 580 1_555 ? ? ? ? ? ? ? 1.437 ? covale9 covale ? ? M BMA . O6 ? ? ? 1_555 N MAN . C1 ? ? C BMA 575 C MAN 576 1_555 ? ? ? ? ? ? ? 1.437 ? covale10 covale ? ? S GAL . O6 ? ? ? 1_555 T SIA . C2 ? ? C GAL 581 C SIA 582 1_555 ? ? ? ? ? ? ? 1.438 ? covale11 covale ? ? H MAN . O3 ? ? ? 1_555 J MAN . C1 ? ? C MAN 564 C MAN 566 1_555 ? ? ? ? ? ? ? 1.439 ? covale12 covale ? ? F BMA . O3 ? ? ? 1_555 G MAN . C1 ? ? C BMA 562 C MAN 563 1_555 ? ? ? ? ? ? ? 1.440 ? covale13 covale ? ? C ASN 33 ND2 ? ? ? 1_555 D NAG . C1 ? ? C ASN 160 C NAG 560 1_555 ? ? ? ? ? ? ? 1.440 ? covale14 covale ? ? L NAG . O4 ? ? ? 1_555 M BMA . C1 ? ? C NAG 574 C BMA 575 1_555 ? ? ? ? ? ? ? 1.442 ? covale15 covale ? ? N MAN . O6 ? ? ? 1_555 O MAN . C1 ? ? C MAN 576 C MAN 577 1_555 ? ? ? ? ? ? ? 1.442 ? covale16 covale ? ? C ASN 46 ND2 ? ? ? 1_555 K NAG . C1 ? ? C ASN 173 C NAG 573 1_555 ? ? ? ? ? ? ? 1.442 ? covale17 covale ? ? E NAG . O4 ? ? ? 1_555 F BMA . C1 ? ? C NAG 561 C BMA 562 1_555 ? ? ? ? ? ? ? 1.442 ? covale18 covale ? ? D NAG . O4 ? ? ? 1_555 E NAG . C1 ? ? C NAG 560 C NAG 561 1_555 ? ? ? ? ? ? ? 1.443 ? covale19 covale ? ? M BMA . O3 ? ? ? 1_555 Q MAN . C1 ? ? C BMA 575 C MAN 579 1_555 ? ? ? ? ? ? ? 1.443 ? covale20 covale ? ? K NAG . O4 ? ? ? 1_555 L NAG . C1 ? ? C NAG 573 C NAG 574 1_555 ? ? ? ? ? ? ? 1.444 ? # 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 PHE 170 A . ? PHE 146 H PRO 171 A ? PRO 147 H 1 -5.53 2 GLU 172 A . ? GLU 148 H PRO 173 A ? PRO 149 H 1 -1.52 3 TYR 144 B . ? TYR 140 L PRO 145 B ? PRO 141 L 1 1.32 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 4 ? B ? 6 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 3 ? H ? 5 ? I ? 4 ? J ? 3 ? K ? 4 ? L ? 4 ? M ? 4 ? N ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel C 1 2 ? parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel H 1 2 ? parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel I 1 2 ? parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? 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 ? anti-parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel N 1 2 ? anti-parallel N 2 3 ? parallel N 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 GLN A 3 ? SER A 7 ? GLN H 3 SER H 7 A 2 LEU A 18 ? SER A 25 ? LEU H 18 SER H 25 A 3 THR A 78 ? PHE A 83 ? THR H 77 PHE H 82 A 4 VAL A 68 ? ASP A 73 ? VAL H 67 ASP H 72 B 1 VAL A 11 ? VAL A 12 ? VAL H 11 VAL H 12 B 2 THR A 131 ? VAL A 135 ? THR H 107 VAL H 111 B 3 ALA A 92 ? GLY A 102 ? ALA H 88 GLY H 98 B 4 MET A 34 ? GLN A 39 ? MET H 34 GLN H 39 B 5 LEU A 45 ? ILE A 51 ? LEU H 45 ILE H 51 B 6 LYS A 58 ? HIS A 60 ? LYS H 57 HIS H 59 C 1 VAL A 11 ? VAL A 12 ? VAL H 11 VAL H 12 C 2 THR A 131 ? VAL A 135 ? THR H 107 VAL H 111 C 3 ALA A 92 ? GLY A 102 ? ALA H 88 GLY H 98 C 4 TYR A 119 O TRP A 127 ? TYR H 100 TRP H 103 D 1 ILE A 104 ? HIS A 106 B ILE H 100 HIS H 100 D 2 VAL A 109 E TYS A 112 H VAL H 100 TYS H 100 D 3 ARG C 41 ? THR C 48 ? ARG C 168 THR C 175 D 4 HIS C 29 ? THR C 35 ? HIS C 156 THR C 162 E 1 SER A 144 ? SER A 152 ? SER H 120 SER H 128 E 2 THR A 159 ? TYR A 169 ? THR H 135 TYR H 145 E 3 TYR A 200 ? PRO A 209 ? TYR H 176 PRO H 185 E 4 VAL A 187 ? THR A 189 ? VAL H 163 THR H 165 F 1 SER A 144 ? SER A 152 ? SER H 120 SER H 128 F 2 THR A 159 ? TYR A 169 ? THR H 135 TYR H 145 F 3 TYR A 200 ? PRO A 209 ? TYR H 176 PRO H 185 F 4 VAL A 193 ? LEU A 194 ? VAL H 169 LEU H 170 G 1 THR A 175 ? TRP A 178 ? THR H 151 TRP H 154 G 2 ILE A 219 ? HIS A 224 ? ILE H 195 HIS H 200 G 3 THR A 229 ? ARG A 234 ? THR H 205 ARG H 210 H 1 SER B 9 ? GLY B 12 ? SER L 9 GLY L 13 H 2 THR B 105 ? VAL B 109 ? THR L 102 VAL L 106 H 3 GLY B 86 ? LEU B 93 ? GLY L 84 LEU L 91 H 4 VAL B 35 ? GLN B 40 ? VAL L 33 GLN L 38 H 5 LYS B 47 ? VAL B 50 ? LYS L 45 VAL L 48 I 1 SER B 9 ? GLY B 12 ? SER L 9 GLY L 13 I 2 THR B 105 ? VAL B 109 ? THR L 102 VAL L 106 I 3 GLY B 86 ? LEU B 93 ? GLY L 84 LEU L 91 I 4 ARG B 99 ? PHE B 101 ? ARG L 96 PHE L 98 J 1 THR B 17 ? GLN B 23 ? THR L 18 GLN L 24 J 2 THR B 72 ? SER B 78 ? THR L 70 SER L 76 J 3 PHE B 64 ? SER B 69 ? PHE L 62 SER L 67 K 1 SER B 118 ? PHE B 122 ? SER L 114 PHE L 118 K 2 ALA B 134 ? PHE B 143 ? ALA L 130 PHE L 139 K 3 TYR B 176 ? LEU B 184 ? TYR L 172 LEU L 180 K 4 VAL B 163 ? THR B 165 ? VAL L 159 THR L 161 L 1 SER B 118 ? PHE B 122 ? SER L 114 PHE L 118 L 2 ALA B 134 ? PHE B 143 ? ALA L 130 PHE L 139 L 3 TYR B 176 ? LEU B 184 ? TYR L 172 LEU L 180 L 4 SER B 169 ? LYS B 170 ? SER L 165 LYS L 166 M 1 SER B 157 ? VAL B 159 ? SER L 153 VAL L 155 M 2 THR B 149 ? ALA B 154 ? THR L 145 ALA L 150 M 3 TYR B 195 ? HIS B 201 ? TYR L 191 HIS L 197 M 4 SER B 204 ? VAL B 210 ? SER L 200 VAL L 206 N 1 ARG C 70 ? THR C 77 ? ARG C 192 THR C 199 N 2 LYS C 5 ? ALA C 13 ? LYS C 122 ALA C 130 N 3 THR C 112 ? THR C 116 ? THR C 234 THR C 238 N 4 GLU C 103 ? ASP C 107 ? GLU C 225 ASP C 229 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 5 ? N VAL H 5 O LEU A 23 ? O LEU H 23 A 2 3 N LEU A 18 ? N LEU H 18 O PHE A 83 ? O PHE H 82 A 3 4 O TYR A 80 ? O TYR H 79 N SER A 71 ? N SER H 70 B 1 2 N VAL A 12 ? N VAL H 12 O THR A 134 ? O THR H 110 B 2 3 O THR A 131 ? O THR H 107 N PHE A 94 ? N PHE H 90 B 3 4 O PHE A 95 ? O PHE H 91 N VAL A 37 ? N VAL H 37 B 4 5 N ARG A 38 ? N ARG H 38 O GLU A 46 ? O GLU H 46 B 5 6 N LEU A 50 ? N LEU H 50 O TYR A 59 ? O TYR H 58 C 1 2 N VAL A 12 ? N VAL H 12 O THR A 134 ? O THR H 110 C 2 3 O THR A 131 ? O THR H 107 N PHE A 94 ? N PHE H 90 C 3 4 N GLY A 102 ? N GLY H 98 O TYR A 119 O O TYR H 100 D 1 2 N ILE A 104 ? N ILE H 100 O TYR A 111 G O TYR H 100 D 2 3 N LYS A 110 F N LYS H 100 O LYS C 42 ? O LYS C 169 D 3 4 O ALA C 47 ? O ALA C 174 N CYS C 30 ? N CYS C 157 E 1 2 N PHE A 146 ? N PHE H 122 O LEU A 165 ? O LEU H 141 E 2 3 N ALA A 160 ? N ALA H 136 O VAL A 208 ? O VAL H 184 E 3 4 O VAL A 205 ? O VAL H 181 N HIS A 188 ? N HIS H 164 F 1 2 N PHE A 146 ? N PHE H 122 O LEU A 165 ? O LEU H 141 F 2 3 N ALA A 160 ? N ALA H 136 O VAL A 208 ? O VAL H 184 F 3 4 O SER A 201 ? O SER H 177 N VAL A 193 ? N VAL H 169 G 1 2 N SER A 177 ? N SER H 153 O ASN A 221 ? O ASN H 197 G 2 3 N VAL A 222 ? N VAL H 198 O VAL A 231 ? O VAL H 207 H 1 2 N VAL B 10 ? N VAL L 11 O LYS B 106 ? O LYS L 103 H 2 3 O VAL B 107 ? O VAL L 104 N GLY B 86 ? N GLY L 84 H 3 4 O ASP B 87 ? O ASP L 85 N GLN B 40 ? N GLN L 38 H 4 5 N TRP B 37 ? N TRP L 35 O VAL B 50 ? O VAL L 48 I 1 2 N VAL B 10 ? N VAL L 11 O LYS B 106 ? O LYS L 103 I 2 3 O VAL B 107 ? O VAL L 104 N GLY B 86 ? N GLY L 84 I 3 4 N SER B 92 ? N SER L 90 O ILE B 100 ? O ILE L 97 J 1 2 N CYS B 22 ? N CYS L 23 O ALA B 73 ? O ALA L 71 J 2 3 O THR B 76 ? O THR L 74 N SER B 65 ? N SER L 63 K 1 2 N PHE B 122 ? N PHE L 118 O VAL B 137 ? O VAL L 133 K 2 3 N ILE B 140 ? N ILE L 136 O ALA B 178 ? O ALA L 174 K 3 4 O TYR B 181 ? O TYR L 177 N GLU B 164 ? N GLU L 160 L 1 2 N PHE B 122 ? N PHE L 118 O VAL B 137 ? O VAL L 133 L 2 3 N ILE B 140 ? N ILE L 136 O ALA B 178 ? O ALA L 174 L 3 4 O ALA B 177 ? O ALA L 173 N SER B 169 ? N SER L 165 M 1 2 O SER B 157 ? O SER L 153 N ALA B 154 ? N ALA L 150 M 2 3 N ALA B 151 ? N ALA L 147 O GLN B 198 ? O GLN L 194 M 3 4 N HIS B 201 ? N HIS L 197 O SER B 204 ? O SER L 200 N 1 2 O GLN C 75 ? O GLN C 197 N ALA C 8 ? N ALA C 125 N 2 3 N ALA C 7 ? N ALA C 124 O PHE C 113 ? O PHE C 235 N 3 4 O THR C 112 ? O THR C 234 N ASP C 107 ? N ASP C 229 # 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 ? ? ? ? 15 'BINDING SITE FOR LINKED RESIDUES C 560 to 566' AC2 Software ? ? ? ? 17 'BINDING SITE FOR LINKED RESIDUES C 573 to 582' # 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 15 THR C 11 ? THR C 128 . ? 1_555 ? 2 AC1 15 ASN C 33 ? ASN C 160 . ? 1_555 ? 3 AC1 15 HOH W . ? HOH C 401 . ? 1_555 ? 4 AC1 15 HOH W . ? HOH C 402 . ? 1_555 ? 5 AC1 15 HOH W . ? HOH C 403 . ? 1_555 ? 6 AC1 15 HOH W . ? HOH C 410 . ? 1_555 ? 7 AC1 15 HOH W . ? HOH C 411 . ? 1_555 ? 8 AC1 15 HIS A 106 B HIS H 100 . ? 1_555 ? 9 AC1 15 TYR A 119 O TYR H 100 . ? 1_555 ? 10 AC1 15 ASN A 120 P ASN H 100 . ? 1_555 ? 11 AC1 15 HIS A 122 R HIS H 100 . ? 1_555 ? 12 AC1 15 ASP B 33 ? ASP L 31 . ? 1_555 ? 13 AC1 15 SER B 34 ? SER L 32 . ? 1_555 ? 14 AC1 15 ASP B 52 ? ASP L 50 . ? 1_555 ? 15 AC1 15 HOH V . ? HOH L 337 . ? 1_555 ? 16 AC2 17 ASN C 46 ? ASN C 173 . ? 1_555 ? 17 AC2 17 LEU C 68 ? LEU C 190 . ? 1_555 ? 18 AC2 17 HOH W . ? HOH C 404 . ? 1_555 ? 19 AC2 17 HOH W . ? HOH C 406 . ? 1_555 ? 20 AC2 17 HOH W . ? HOH C 408 . ? 1_555 ? 21 AC2 17 HOH W . ? HOH C 412 . ? 1_555 ? 22 AC2 17 LYS A 58 ? LYS H 57 . ? 1_555 ? 23 AC2 17 TYR A 59 ? TYR H 58 . ? 1_555 ? 24 AC2 17 HIS A 60 ? HIS H 59 . ? 1_555 ? 25 AC2 17 TRP A 65 ? TRP H 64 . ? 1_555 ? 26 AC2 17 PHE A 114 J PHE H 100 . ? 1_555 ? 27 AC2 17 SER A 180 ? SER H 156 . ? 8_445 ? 28 AC2 17 GLY A 181 ? GLY H 157 . ? 8_445 ? 29 AC2 17 ALA A 182 ? ALA H 158 . ? 8_445 ? 30 AC2 17 THR A 184 ? THR H 160 . ? 8_445 ? 31 AC2 17 ARG B 96 ? ARG L 94 . ? 1_555 ? 32 AC2 17 HIS B 98 A HIS L 95 . ? 1_555 ? # _database_PDB_matrix.entry_id 4DQO _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 4DQO _atom_sites.fract_transf_matrix[1][1] 0.012337 _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] 0.004818 _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] 0.011413 _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 H 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 HETATM 1 N N . PCA A 1 1 ? 44.170 -71.086 5.548 1.00 97.78 ? 1 PCA H N 1 HETATM 2 C CA . PCA A 1 1 ? 44.225 -69.663 5.234 1.00 89.46 ? 1 PCA H CA 1 HETATM 3 C CB . PCA A 1 1 ? 45.463 -69.346 4.405 1.00 98.69 ? 1 PCA H CB 1 HETATM 4 C CG . PCA A 1 1 ? 45.903 -70.666 3.805 1.00 107.40 ? 1 PCA H CG 1 HETATM 5 C CD . PCA A 1 1 ? 45.177 -71.668 4.659 1.00 109.20 ? 1 PCA H CD 1 HETATM 6 O OE . PCA A 1 1 ? 45.443 -72.868 4.613 1.00 118.27 ? 1 PCA H OE 1 HETATM 7 C C . PCA A 1 1 ? 42.988 -69.278 4.442 1.00 75.35 ? 1 PCA H C 1 HETATM 8 O O . PCA A 1 1 ? 43.060 -68.512 3.484 1.00 74.93 ? 1 PCA H O 1 HETATM 9 H HA . PCA A 1 1 ? 44.257 -69.149 6.067 1.00 107.35 ? 1 PCA H HA 1 HETATM 10 H HB2 . PCA A 1 1 ? 45.249 -68.686 3.713 1.00 118.43 ? 1 PCA H HB2 1 HETATM 11 H HB3 . PCA A 1 1 ? 46.170 -68.982 4.978 1.00 118.43 ? 1 PCA H HB3 1 HETATM 12 H HG2 . PCA A 1 1 ? 45.652 -70.726 2.859 1.00 128.89 ? 1 PCA H HG2 1 HETATM 13 H HG3 . PCA A 1 1 ? 46.872 -70.781 3.894 1.00 128.89 ? 1 PCA H HG3 1 ATOM 14 N N . GLU A 1 2 ? 41.849 -69.824 4.855 1.00 66.07 ? 2 GLU H N 1 ATOM 15 C CA . GLU A 1 2 ? 40.591 -69.611 4.152 1.00 60.42 ? 2 GLU H CA 1 ATOM 16 C C . GLU A 1 2 ? 40.441 -68.146 3.765 1.00 56.63 ? 2 GLU H C 1 ATOM 17 O O . GLU A 1 2 ? 40.479 -67.261 4.620 1.00 55.38 ? 2 GLU H O 1 ATOM 18 C CB . GLU A 1 2 ? 39.405 -70.049 5.017 1.00 61.33 ? 2 GLU H CB 1 ATOM 19 C CG . GLU A 1 2 ? 39.334 -71.551 5.283 1.00 68.07 ? 2 GLU H CG 1 ATOM 20 C CD . GLU A 1 2 ? 40.048 -71.969 6.559 1.00 77.29 ? 2 GLU H CD 1 ATOM 21 O OE1 . GLU A 1 2 ? 41.002 -71.275 6.971 1.00 77.67 ? 2 GLU H OE1 1 ATOM 22 O OE2 . GLU A 1 2 ? 39.650 -72.993 7.153 1.00 84.06 ? 2 GLU H OE2 1 ATOM 23 H H . GLU A 1 2 ? 41.779 -70.327 5.548 1.00 79.28 ? 2 GLU H H 1 ATOM 24 H HA . GLU A 1 2 ? 40.586 -70.147 3.331 1.00 72.50 ? 2 GLU H HA 1 ATOM 25 H HB2 . GLU A 1 2 ? 39.465 -69.601 5.875 1.00 73.60 ? 2 GLU H HB2 1 ATOM 26 H HB3 . GLU A 1 2 ? 38.583 -69.791 4.570 1.00 73.60 ? 2 GLU H HB3 1 ATOM 27 H HG2 . GLU A 1 2 ? 38.403 -71.813 5.362 1.00 81.68 ? 2 GLU H HG2 1 ATOM 28 H HG3 . GLU A 1 2 ? 39.747 -72.022 4.542 1.00 81.68 ? 2 GLU H HG3 1 ATOM 29 N N . GLN A 1 3 ? 40.278 -67.895 2.470 1.00 54.00 ? 3 GLN H N 1 ATOM 30 C CA . GLN A 1 3 ? 40.163 -66.531 1.975 1.00 49.29 ? 3 GLN H CA 1 ATOM 31 C C . GLN A 1 3 ? 39.172 -66.435 0.821 1.00 42.80 ? 3 GLN H C 1 ATOM 32 O O . GLN A 1 3 ? 39.117 -67.309 -0.043 1.00 42.69 ? 3 GLN H O 1 ATOM 33 C CB . GLN A 1 3 ? 41.531 -66.014 1.529 1.00 55.78 ? 3 GLN H CB 1 ATOM 34 C CG . GLN A 1 3 ? 41.533 -64.552 1.117 1.00 64.50 ? 3 GLN H CG 1 ATOM 35 C CD . GLN A 1 3 ? 42.922 -64.042 0.786 1.00 78.36 ? 3 GLN H CD 1 ATOM 36 O OE1 . GLN A 1 3 ? 43.913 -64.754 0.950 1.00 87.26 ? 3 GLN H OE1 1 ATOM 37 N NE2 . GLN A 1 3 ? 43.000 -62.801 0.318 1.00 80.04 ? 3 GLN H NE2 1 ATOM 38 H H . GLN A 1 3 ? 40.230 -68.497 1.859 1.00 64.80 ? 3 GLN H H 1 ATOM 39 H HA . GLN A 1 3 ? 39.842 -65.954 2.699 1.00 59.15 ? 3 GLN H HA 1 ATOM 40 H HB2 . GLN A 1 3 ? 42.158 -66.116 2.262 1.00 66.94 ? 3 GLN H HB2 1 ATOM 41 H HB3 . GLN A 1 3 ? 41.829 -66.537 0.768 1.00 66.94 ? 3 GLN H HB3 1 ATOM 42 H HG2 . GLN A 1 3 ? 40.978 -64.445 0.328 1.00 77.40 ? 3 GLN H HG2 1 ATOM 43 H HG3 . GLN A 1 3 ? 41.182 -64.017 1.846 1.00 77.40 ? 3 GLN H HG3 1 ATOM 44 H HE21 . GLN A 1 3 ? 42.285 -62.334 0.218 1.00 96.05 ? 3 GLN H HE21 1 ATOM 45 H HE22 . GLN A 1 3 ? 43.765 -62.466 0.116 1.00 96.05 ? 3 GLN H HE22 1 ATOM 46 N N . LEU A 1 4 ? 38.388 -65.362 0.827 1.00 37.82 ? 4 LEU H N 1 ATOM 47 C CA . LEU A 1 4 ? 37.470 -65.064 -0.262 1.00 35.05 ? 4 LEU H CA 1 ATOM 48 C C . LEU A 1 4 ? 37.736 -63.647 -0.755 1.00 39.31 ? 4 LEU H C 1 ATOM 49 O O . LEU A 1 4 ? 37.914 -62.731 0.048 1.00 44.18 ? 4 LEU H O 1 ATOM 50 C CB . LEU A 1 4 ? 36.022 -65.189 0.213 1.00 31.52 ? 4 LEU H CB 1 ATOM 51 C CG . LEU A 1 4 ? 35.597 -66.568 0.721 1.00 34.47 ? 4 LEU H CG 1 ATOM 52 C CD1 . LEU A 1 4 ? 34.226 -66.491 1.374 1.00 33.59 ? 4 LEU H CD1 1 ATOM 53 C CD2 . LEU A 1 4 ? 35.592 -67.583 -0.412 1.00 33.90 ? 4 LEU H CD2 1 ATOM 54 H H . LEU A 1 4 ? 38.370 -64.783 1.462 1.00 45.38 ? 4 LEU H H 1 ATOM 55 H HA . LEU A 1 4 ? 37.616 -65.690 -1.002 1.00 42.06 ? 4 LEU H HA 1 ATOM 56 H HB2 . LEU A 1 4 ? 35.884 -64.560 0.938 1.00 37.82 ? 4 LEU H HB2 1 ATOM 57 H HB3 . LEU A 1 4 ? 35.438 -64.961 -0.527 1.00 37.82 ? 4 LEU H HB3 1 ATOM 58 H HG . LEU A 1 4 ? 36.231 -66.868 1.390 1.00 41.36 ? 4 LEU H HG 1 ATOM 59 H HD11 . LEU A 1 4 ? 33.979 -67.365 1.685 1.00 40.31 ? 4 LEU H HD11 1 ATOM 60 H HD12 . LEU A 1 4 ? 34.267 -65.879 2.113 1.00 40.31 ? 4 LEU H HD12 1 ATOM 61 H HD13 . LEU A 1 4 ? 33.589 -66.180 0.727 1.00 40.31 ? 4 LEU H HD13 1 ATOM 62 H HD21 . LEU A 1 4 ? 35.321 -68.437 -0.065 1.00 40.68 ? 4 LEU H HD21 1 ATOM 63 H HD22 . LEU A 1 4 ? 34.975 -67.294 -1.088 1.00 40.68 ? 4 LEU H HD22 1 ATOM 64 H HD23 . LEU A 1 4 ? 36.476 -67.644 -0.780 1.00 40.68 ? 4 LEU H HD23 1 ATOM 65 N N . VAL A 1 5 ? 37.765 -63.467 -2.072 1.00 37.92 ? 5 VAL H N 1 ATOM 66 C CA . VAL A 1 5 ? 38.044 -62.157 -2.653 1.00 35.26 ? 5 VAL H CA 1 ATOM 67 C C . VAL A 1 5 ? 37.064 -61.813 -3.769 1.00 35.93 ? 5 VAL H C 1 ATOM 68 O O . VAL A 1 5 ? 37.129 -62.373 -4.863 1.00 39.21 ? 5 VAL H O 1 ATOM 69 C CB . VAL A 1 5 ? 39.477 -62.086 -3.213 1.00 35.50 ? 5 VAL H CB 1 ATOM 70 C CG1 . VAL A 1 5 ? 39.743 -60.710 -3.813 1.00 33.79 ? 5 VAL H CG1 1 ATOM 71 C CG2 . VAL A 1 5 ? 40.487 -62.404 -2.123 1.00 34.82 ? 5 VAL H CG2 1 ATOM 72 H H . VAL A 1 5 ? 37.626 -64.087 -2.651 1.00 45.50 ? 5 VAL H H 1 ATOM 73 H HA . VAL A 1 5 ? 37.959 -61.474 -1.955 1.00 42.31 ? 5 VAL H HA 1 ATOM 74 H HB . VAL A 1 5 ? 39.576 -62.752 -3.925 1.00 42.60 ? 5 VAL H HB 1 ATOM 75 H HG11 . VAL A 1 5 ? 40.639 -60.688 -4.156 1.00 40.55 ? 5 VAL H HG11 1 ATOM 76 H HG12 . VAL A 1 5 ? 39.116 -60.553 -4.523 1.00 40.55 ? 5 VAL H HG12 1 ATOM 77 H HG13 . VAL A 1 5 ? 39.637 -60.046 -3.129 1.00 40.55 ? 5 VAL H HG13 1 ATOM 78 H HG21 . VAL A 1 5 ? 41.372 -62.354 -2.493 1.00 41.78 ? 5 VAL H HG21 1 ATOM 79 H HG22 . VAL A 1 5 ? 40.392 -61.764 -1.413 1.00 41.78 ? 5 VAL H HG22 1 ATOM 80 H HG23 . VAL A 1 5 ? 40.320 -63.289 -1.791 1.00 41.78 ? 5 VAL H HG23 1 ATOM 81 N N . GLU A 1 6 ? 36.167 -60.874 -3.489 1.00 33.68 ? 6 GLU H N 1 ATOM 82 C CA . GLU A 1 6 ? 35.170 -60.456 -4.463 1.00 37.55 ? 6 GLU H CA 1 ATOM 83 C C . GLU A 1 6 ? 35.779 -59.456 -5.442 1.00 42.30 ? 6 GLU H C 1 ATOM 84 O O . GLU A 1 6 ? 36.824 -58.866 -5.171 1.00 42.11 ? 6 GLU H O 1 ATOM 85 C CB . GLU A 1 6 ? 33.956 -59.831 -3.768 1.00 37.88 ? 6 GLU H CB 1 ATOM 86 C CG . GLU A 1 6 ? 33.334 -60.694 -2.680 1.00 38.61 ? 6 GLU H CG 1 ATOM 87 C CD . GLU A 1 6 ? 33.932 -60.431 -1.309 1.00 38.15 ? 6 GLU H CD 1 ATOM 88 O OE1 . GLU A 1 6 ? 35.096 -59.982 -1.235 1.00 38.36 ? 6 GLU H OE1 1 ATOM 89 O OE2 . GLU A 1 6 ? 33.236 -60.661 -0.298 1.00 35.68 ? 6 GLU H OE2 1 ATOM 90 H H . GLU A 1 6 ? 36.116 -60.462 -2.737 1.00 40.41 ? 6 GLU H H 1 ATOM 91 H HA . GLU A 1 6 ? 34.866 -61.237 -4.971 1.00 45.06 ? 6 GLU H HA 1 ATOM 92 H HB2 . GLU A 1 6 ? 34.230 -58.995 -3.359 1.00 45.45 ? 6 GLU H HB2 1 ATOM 93 H HB3 . GLU A 1 6 ? 33.272 -59.659 -4.434 1.00 45.45 ? 6 GLU H HB3 1 ATOM 94 H HG2 . GLU A 1 6 ? 32.383 -60.508 -2.633 1.00 46.33 ? 6 GLU H HG2 1 ATOM 95 H HG3 . GLU A 1 6 ? 33.479 -61.628 -2.896 1.00 46.33 ? 6 GLU H HG3 1 ATOM 96 N N . SER A 1 7 ? 35.125 -59.279 -6.585 1.00 45.41 ? 7 SER H N 1 ATOM 97 C CA . SER A 1 7 ? 35.543 -58.281 -7.564 1.00 44.96 ? 7 SER H CA 1 ATOM 98 C C . SER A 1 7 ? 34.449 -58.076 -8.604 1.00 42.18 ? 7 SER H C 1 ATOM 99 O O . SER A 1 7 ? 33.448 -58.793 -8.611 1.00 40.78 ? 7 SER H O 1 ATOM 100 C CB . SER A 1 7 ? 36.845 -58.703 -8.250 1.00 46.88 ? 7 SER H CB 1 ATOM 101 O OG . SER A 1 7 ? 36.646 -59.839 -9.072 1.00 48.24 ? 7 SER H OG 1 ATOM 102 H H . SER A 1 7 ? 34.429 -59.727 -6.818 1.00 54.49 ? 7 SER H H 1 ATOM 103 H HA . SER A 1 7 ? 35.698 -57.427 -7.109 1.00 53.96 ? 7 SER H HA 1 ATOM 104 H HB2 . SER A 1 7 ? 37.163 -57.969 -8.800 1.00 56.25 ? 7 SER H HB2 1 ATOM 105 H HB3 . SER A 1 7 ? 37.503 -58.917 -7.571 1.00 56.25 ? 7 SER H HB3 1 ATOM 106 H HG . SER A 1 7 ? 37.351 -60.052 -9.432 1.00 57.89 ? 7 SER H HG 1 ATOM 107 N N . GLY A 1 8 ? 34.645 -57.096 -9.481 1.00 42.40 ? 8 GLY H N 1 ATOM 108 C CA . GLY A 1 8 ? 33.678 -56.798 -10.522 1.00 42.32 ? 8 GLY H CA 1 ATOM 109 C C . GLY A 1 8 ? 32.732 -55.672 -10.145 1.00 44.43 ? 8 GLY H C 1 ATOM 110 O O . GLY A 1 8 ? 31.888 -55.269 -10.945 1.00 48.55 ? 8 GLY H O 1 ATOM 111 H H . GLY A 1 8 ? 35.337 -56.586 -9.491 1.00 50.88 ? 8 GLY H H 1 ATOM 112 H HA2 . GLY A 1 8 ? 34.146 -56.546 -11.333 1.00 50.78 ? 8 GLY H HA2 1 ATOM 113 H HA3 . GLY A 1 8 ? 33.150 -57.591 -10.707 1.00 50.78 ? 8 GLY H HA3 1 ATOM 114 N N . GLY A 1 9 ? 32.871 -55.160 -8.927 1.00 42.92 ? 9 GLY H N 1 ATOM 115 C CA . GLY A 1 9 ? 32.030 -54.072 -8.463 1.00 41.27 ? 9 GLY H CA 1 ATOM 116 C C . GLY A 1 9 ? 32.281 -52.791 -9.233 1.00 39.91 ? 9 GLY H C 1 ATOM 117 O O . GLY A 1 9 ? 33.389 -52.553 -9.717 1.00 42.06 ? 9 GLY H O 1 ATOM 118 H H . GLY A 1 9 ? 33.449 -55.429 -8.350 1.00 51.50 ? 9 GLY H H 1 ATOM 119 H HA2 . GLY A 1 9 ? 31.097 -54.317 -8.567 1.00 49.53 ? 9 GLY H HA2 1 ATOM 120 H HA3 . GLY A 1 9 ? 32.203 -53.907 -7.523 1.00 49.53 ? 9 GLY H HA3 1 ATOM 121 N N . GLY A 1 10 ? 31.248 -51.963 -9.347 1.00 36.73 ? 10 GLY H N 1 ATOM 122 C CA . GLY A 1 10 ? 31.358 -50.709 -10.069 1.00 37.76 ? 10 GLY H CA 1 ATOM 123 C C . GLY A 1 10 ? 30.017 -50.034 -10.274 1.00 41.33 ? 10 GLY H C 1 ATOM 124 O O . GLY A 1 10 ? 29.024 -50.393 -9.643 1.00 46.85 ? 10 GLY H O 1 ATOM 125 H H . GLY A 1 10 ? 30.469 -52.108 -9.013 1.00 44.08 ? 10 GLY H H 1 ATOM 126 H HA2 . GLY A 1 10 ? 31.934 -50.103 -9.577 1.00 45.31 ? 10 GLY H HA2 1 ATOM 127 H HA3 . GLY A 1 10 ? 31.755 -50.872 -10.939 1.00 45.31 ? 10 GLY H HA3 1 ATOM 128 N N . VAL A 1 11 ? 29.990 -49.052 -11.169 1.00 39.88 ? 11 VAL H N 1 ATOM 129 C CA . VAL A 1 11 ? 28.780 -48.285 -11.432 1.00 37.90 ? 11 VAL H CA 1 ATOM 130 C C . VAL A 1 11 ? 27.978 -48.864 -12.592 1.00 34.38 ? 11 VAL H C 1 ATOM 131 O O . VAL A 1 11 ? 28.525 -49.166 -13.653 1.00 33.89 ? 11 VAL H O 1 ATOM 132 C CB . VAL A 1 11 ? 29.114 -46.820 -11.765 1.00 42.51 ? 11 VAL H CB 1 ATOM 133 C CG1 . VAL A 1 11 ? 27.845 -46.049 -12.113 1.00 42.02 ? 11 VAL H CG1 1 ATOM 134 C CG2 . VAL A 1 11 ? 29.845 -46.165 -10.602 1.00 44.30 ? 11 VAL H CG2 1 ATOM 135 H H . VAL A 1 11 ? 30.667 -48.810 -11.641 1.00 47.85 ? 11 VAL H H 1 ATOM 136 H HA . VAL A 1 11 ? 28.213 -48.295 -10.633 1.00 45.48 ? 11 VAL H HA 1 ATOM 137 H HB . VAL A 1 11 ? 29.706 -46.797 -12.546 1.00 51.01 ? 11 VAL H HB 1 ATOM 138 H HG11 . VAL A 1 11 ? 28.077 -45.140 -12.316 1.00 50.42 ? 11 VAL H HG11 1 ATOM 139 H HG12 . VAL A 1 11 ? 27.430 -46.460 -12.876 1.00 50.42 ? 11 VAL H HG12 1 ATOM 140 H HG13 . VAL A 1 11 ? 27.248 -46.075 -11.362 1.00 50.42 ? 11 VAL H HG13 1 ATOM 141 H HG21 . VAL A 1 11 ? 30.043 -45.254 -10.831 1.00 53.16 ? 11 VAL H HG21 1 ATOM 142 H HG22 . VAL A 1 11 ? 29.283 -46.192 -9.825 1.00 53.16 ? 11 VAL H HG22 1 ATOM 143 H HG23 . VAL A 1 11 ? 30.659 -46.645 -10.435 1.00 53.16 ? 11 VAL H HG23 1 ATOM 144 N N . VAL A 1 12 ? 26.675 -49.013 -12.378 1.00 32.73 ? 12 VAL H N 1 ATOM 145 C CA . VAL A 1 12 ? 25.758 -49.427 -13.432 1.00 33.63 ? 12 VAL H CA 1 ATOM 146 C C . VAL A 1 12 ? 24.503 -48.569 -13.372 1.00 34.88 ? 12 VAL H C 1 ATOM 147 O O . VAL A 1 12 ? 24.201 -47.973 -12.340 1.00 39.46 ? 12 VAL H O 1 ATOM 148 C CB . VAL A 1 12 ? 25.350 -50.904 -13.282 1.00 36.75 ? 12 VAL H CB 1 ATOM 149 C CG1 . VAL A 1 12 ? 26.520 -51.813 -13.602 1.00 40.95 ? 12 VAL H CG1 1 ATOM 150 C CG2 . VAL A 1 12 ? 24.828 -51.170 -11.877 1.00 32.81 ? 12 VAL H CG2 1 ATOM 151 H H . VAL A 1 12 ? 26.293 -48.877 -11.620 1.00 39.28 ? 12 VAL H H 1 ATOM 152 H HA . VAL A 1 12 ? 26.182 -49.305 -14.307 1.00 40.36 ? 12 VAL H HA 1 ATOM 153 H HB . VAL A 1 12 ? 24.630 -51.102 -13.916 1.00 44.10 ? 12 VAL H HB 1 ATOM 154 H HG11 . VAL A 1 12 ? 26.241 -52.727 -13.502 1.00 49.14 ? 12 VAL H HG11 1 ATOM 155 H HG12 . VAL A 1 12 ? 26.800 -51.654 -14.506 1.00 49.14 ? 12 VAL H HG12 1 ATOM 156 H HG13 . VAL A 1 12 ? 27.240 -51.621 -12.997 1.00 49.14 ? 12 VAL H HG13 1 ATOM 157 H HG21 . VAL A 1 12 ? 24.580 -52.094 -11.806 1.00 39.37 ? 12 VAL H HG21 1 ATOM 158 H HG22 . VAL A 1 12 ? 25.519 -50.966 -11.243 1.00 39.37 ? 12 VAL H HG22 1 ATOM 159 H HG23 . VAL A 1 12 ? 24.062 -50.612 -11.718 1.00 39.37 ? 12 VAL H HG23 1 ATOM 160 N N . GLN A 1 13 ? 23.772 -48.509 -14.479 1.00 30.41 ? 13 GLN H N 1 ATOM 161 C CA . GLN A 1 13 ? 22.539 -47.738 -14.530 1.00 29.76 ? 13 GLN H CA 1 ATOM 162 C C . GLN A 1 13 ? 21.351 -48.641 -14.226 1.00 29.34 ? 13 GLN H C 1 ATOM 163 O O . GLN A 1 13 ? 21.360 -49.821 -14.571 1.00 24.22 ? 13 GLN H O 1 ATOM 164 C CB . GLN A 1 13 ? 22.378 -47.082 -15.901 1.00 29.39 ? 13 GLN H CB 1 ATOM 165 C CG . GLN A 1 13 ? 23.602 -46.297 -16.342 1.00 33.52 ? 13 GLN H CG 1 ATOM 166 C CD . GLN A 1 13 ? 23.268 -45.198 -17.330 1.00 43.51 ? 13 GLN H CD 1 ATOM 167 O OE1 . GLN A 1 13 ? 22.685 -45.449 -18.387 1.00 45.03 ? 13 GLN H OE1 1 ATOM 168 N NE2 . GLN A 1 13 ? 23.627 -43.967 -16.986 1.00 47.65 ? 13 GLN H NE2 1 ATOM 169 H H . GLN A 1 13 ? 23.970 -48.906 -15.216 1.00 36.49 ? 13 GLN H H 1 ATOM 170 H HA . GLN A 1 13 ? 22.570 -47.031 -13.852 1.00 35.71 ? 13 GLN H HA 1 ATOM 171 H HB2 . GLN A 1 13 ? 22.213 -47.773 -16.562 1.00 35.27 ? 13 GLN H HB2 1 ATOM 172 H HB3 . GLN A 1 13 ? 21.626 -46.469 -15.870 1.00 35.27 ? 13 GLN H HB3 1 ATOM 173 H HG2 . GLN A 1 13 ? 24.011 -45.887 -15.564 1.00 40.22 ? 13 GLN H HG2 1 ATOM 174 H HG3 . GLN A 1 13 ? 24.229 -46.902 -16.767 1.00 40.22 ? 13 GLN H HG3 1 ATOM 175 H HE21 . GLN A 1 13 ? 24.027 -43.829 -16.237 1.00 57.18 ? 13 GLN H HE21 1 ATOM 176 H HE22 . GLN A 1 13 ? 23.461 -43.307 -17.512 1.00 57.18 ? 13 GLN H HE22 1 ATOM 177 N N . PRO A 1 14 ? 20.323 -48.090 -13.566 1.00 30.19 ? 14 PRO H N 1 ATOM 178 C CA . PRO A 1 14 ? 19.145 -48.900 -13.237 1.00 27.67 ? 14 PRO H CA 1 ATOM 179 C C . PRO A 1 14 ? 18.528 -49.533 -14.481 1.00 26.45 ? 14 PRO H C 1 ATOM 180 O O . PRO A 1 14 ? 18.353 -48.861 -15.501 1.00 27.09 ? 14 PRO H O 1 ATOM 181 C CB . PRO A 1 14 ? 18.183 -47.890 -12.596 1.00 26.04 ? 14 PRO H CB 1 ATOM 182 C CG . PRO A 1 14 ? 18.695 -46.539 -12.996 1.00 28.85 ? 14 PRO H CG 1 ATOM 183 C CD . PRO A 1 14 ? 20.174 -46.692 -13.131 1.00 29.62 ? 14 PRO H CD 1 ATOM 184 H HA . PRO A 1 14 ? 19.374 -49.597 -12.588 1.00 33.21 ? 14 PRO H HA 1 ATOM 185 H HB2 . PRO A 1 14 ? 17.287 -48.031 -12.938 1.00 31.24 ? 14 PRO H HB2 1 ATOM 186 H HB3 . PRO A 1 14 ? 18.201 -47.990 -11.631 1.00 31.24 ? 14 PRO H HB3 1 ATOM 187 H HG2 . PRO A 1 14 ? 18.299 -46.279 -13.843 1.00 34.62 ? 14 PRO H HG2 1 ATOM 188 H HG3 . PRO A 1 14 ? 18.480 -45.892 -12.305 1.00 34.62 ? 14 PRO H HG3 1 ATOM 189 H HD2 . PRO A 1 14 ? 20.517 -46.088 -13.808 1.00 35.55 ? 14 PRO H HD2 1 ATOM 190 H HD3 . PRO A 1 14 ? 20.609 -46.555 -12.276 1.00 35.55 ? 14 PRO H HD3 1 ATOM 191 N N . GLY A 1 15 ? 18.212 -50.821 -14.387 1.00 25.03 ? 15 GLY H N 1 ATOM 192 C CA . GLY A 1 15 ? 17.702 -51.576 -15.516 1.00 26.24 ? 15 GLY H CA 1 ATOM 193 C C . GLY A 1 15 ? 18.795 -52.394 -16.180 1.00 26.42 ? 15 GLY H C 1 ATOM 194 O O . GLY A 1 15 ? 18.517 -53.279 -16.990 1.00 27.08 ? 15 GLY H O 1 ATOM 195 H H . GLY A 1 15 ? 18.287 -51.284 -13.666 1.00 30.04 ? 15 GLY H H 1 ATOM 196 H HA2 . GLY A 1 15 ? 17.003 -52.178 -15.216 1.00 31.49 ? 15 GLY H HA2 1 ATOM 197 H HA3 . GLY A 1 15 ? 17.327 -50.968 -16.172 1.00 31.49 ? 15 GLY H HA3 1 ATOM 198 N N . GLY A 1 16 ? 20.043 -52.102 -15.827 1.00 28.64 ? 16 GLY H N 1 ATOM 199 C CA . GLY A 1 16 ? 21.186 -52.740 -16.455 1.00 31.03 ? 16 GLY H CA 1 ATOM 200 C C . GLY A 1 16 ? 21.614 -54.026 -15.774 1.00 31.32 ? 16 GLY H C 1 ATOM 201 O O . GLY A 1 16 ? 20.896 -54.568 -14.933 1.00 33.32 ? 16 GLY H O 1 ATOM 202 H H . GLY A 1 16 ? 20.253 -51.531 -15.220 1.00 34.37 ? 16 GLY H H 1 ATOM 203 H HA2 . GLY A 1 16 ? 20.970 -52.943 -17.379 1.00 37.24 ? 16 GLY H HA2 1 ATOM 204 H HA3 . GLY A 1 16 ? 21.938 -52.127 -16.446 1.00 37.24 ? 16 GLY H HA3 1 ATOM 205 N N . SER A 1 17 ? 22.800 -54.506 -16.137 1.00 32.06 ? 17 SER H N 1 ATOM 206 C CA . SER A 1 17 ? 23.298 -55.789 -15.653 1.00 34.13 ? 17 SER H CA 1 ATOM 207 C C . SER A 1 17 ? 24.759 -55.692 -15.238 1.00 32.67 ? 17 SER H C 1 ATOM 208 O O . SER A 1 17 ? 25.468 -54.767 -15.636 1.00 31.71 ? 17 SER H O 1 ATOM 209 C CB . SER A 1 17 ? 23.150 -56.856 -16.741 1.00 41.81 ? 17 SER H CB 1 ATOM 210 O OG . SER A 1 17 ? 21.789 -57.062 -17.077 1.00 46.98 ? 17 SER H OG 1 ATOM 211 H H . SER A 1 17 ? 23.342 -54.102 -16.669 1.00 38.48 ? 17 SER H H 1 ATOM 212 H HA . SER A 1 17 ? 22.773 -56.067 -14.874 1.00 40.95 ? 17 SER H HA 1 ATOM 213 H HB2 . SER A 1 17 ? 23.629 -56.566 -17.533 1.00 50.17 ? 17 SER H HB2 1 ATOM 214 H HB3 . SER A 1 17 ? 23.524 -57.690 -16.416 1.00 50.17 ? 17 SER H HB3 1 ATOM 215 H HG . SER A 1 17 ? 21.728 -57.636 -17.659 1.00 56.38 ? 17 SER H HG 1 ATOM 216 N N . LEU A 1 18 ? 25.204 -56.662 -14.444 1.00 32.97 ? 18 LEU H N 1 ATOM 217 C CA . LEU A 1 18 ? 26.582 -56.704 -13.967 1.00 32.00 ? 18 LEU H CA 1 ATOM 218 C C . LEU A 1 18 ? 26.863 -58.040 -13.289 1.00 29.56 ? 18 LEU H C 1 ATOM 219 O O . LEU A 1 18 ? 26.008 -58.585 -12.594 1.00 29.44 ? 18 LEU H O 1 ATOM 220 C CB . LEU A 1 18 ? 26.839 -55.558 -12.987 1.00 33.96 ? 18 LEU H CB 1 ATOM 221 C CG . LEU A 1 18 ? 28.183 -55.554 -12.254 1.00 39.96 ? 18 LEU H CG 1 ATOM 222 C CD1 . LEU A 1 18 ? 29.334 -55.466 -13.239 1.00 44.24 ? 18 LEU H CD1 1 ATOM 223 C CD2 . LEU A 1 18 ? 28.246 -54.403 -11.264 1.00 40.42 ? 18 LEU H CD2 1 ATOM 224 H H . LEU A 1 18 ? 24.720 -57.315 -14.164 1.00 39.57 ? 18 LEU H H 1 ATOM 225 H HA . LEU A 1 18 ? 27.194 -56.607 -14.726 1.00 38.40 ? 18 LEU H HA 1 ATOM 226 H HB2 . LEU A 1 18 ? 26.779 -54.723 -13.478 1.00 40.75 ? 18 LEU H HB2 1 ATOM 227 H HB3 . LEU A 1 18 ? 26.145 -55.579 -12.310 1.00 40.75 ? 18 LEU H HB3 1 ATOM 228 H HG . LEU A 1 18 ? 28.275 -56.383 -11.758 1.00 47.95 ? 18 LEU H HG 1 ATOM 229 H HD11 . LEU A 1 18 ? 30.161 -55.466 -12.753 1.00 53.09 ? 18 LEU H HD11 1 ATOM 230 H HD12 . LEU A 1 18 ? 29.299 -56.224 -13.828 1.00 53.09 ? 18 LEU H HD12 1 ATOM 231 H HD13 . LEU A 1 18 ? 29.250 -54.654 -13.745 1.00 53.09 ? 18 LEU H HD13 1 ATOM 232 H HD21 . LEU A 1 18 ? 29.096 -54.422 -10.817 1.00 48.51 ? 18 LEU H HD21 1 ATOM 233 H HD22 . LEU A 1 18 ? 28.143 -53.576 -11.740 1.00 48.51 ? 18 LEU H HD22 1 ATOM 234 H HD23 . LEU A 1 18 ? 27.537 -54.503 -10.624 1.00 48.51 ? 18 LEU H HD23 1 ATOM 235 N N . ARG A 1 19 ? 28.062 -58.570 -13.499 1.00 30.75 ? 19 ARG H N 1 ATOM 236 C CA . ARG A 1 19 ? 28.446 -59.832 -12.886 1.00 33.51 ? 19 ARG H CA 1 ATOM 237 C C . ARG A 1 19 ? 29.583 -59.652 -11.886 1.00 34.19 ? 19 ARG H C 1 ATOM 238 O O . ARG A 1 19 ? 30.623 -59.079 -12.209 1.00 35.58 ? 19 ARG H O 1 ATOM 239 C CB . ARG A 1 19 ? 28.852 -60.839 -13.961 1.00 34.97 ? 19 ARG H CB 1 ATOM 240 C CG . ARG A 1 19 ? 29.368 -62.155 -13.399 1.00 37.34 ? 19 ARG H CG 1 ATOM 241 C CD . ARG A 1 19 ? 29.548 -63.205 -14.481 1.00 43.00 ? 19 ARG H CD 1 ATOM 242 N NE . ARG A 1 19 ? 28.266 -63.733 -14.947 1.00 50.02 ? 19 ARG H NE 1 ATOM 243 C CZ . ARG A 1 19 ? 27.990 -65.023 -15.132 1.00 58.14 ? 19 ARG H CZ 1 ATOM 244 N NH1 . ARG A 1 19 ? 28.902 -65.960 -14.902 1.00 57.88 ? 19 ARG H NH1 1 ATOM 245 N NH2 . ARG A 1 19 ? 26.786 -65.381 -15.553 1.00 65.05 ? 19 ARG H NH2 1 ATOM 246 H H . ARG A 1 19 ? 28.671 -58.217 -13.994 1.00 36.90 ? 19 ARG H H 1 ATOM 247 H HA . ARG A 1 19 ? 27.675 -60.198 -12.404 1.00 40.22 ? 19 ARG H HA 1 ATOM 248 H HB2 . ARG A 1 19 ? 28.080 -61.034 -14.514 1.00 41.96 ? 19 ARG H HB2 1 ATOM 249 H HB3 . ARG A 1 19 ? 29.556 -60.451 -14.503 1.00 41.96 ? 19 ARG H HB3 1 ATOM 250 H HG2 . ARG A 1 19 ? 30.228 -62.005 -12.977 1.00 44.81 ? 19 ARG H HG2 1 ATOM 251 H HG3 . ARG A 1 19 ? 28.732 -62.495 -12.751 1.00 44.81 ? 19 ARG H HG3 1 ATOM 252 H HD2 . ARG A 1 19 ? 30.005 -62.807 -15.238 1.00 51.60 ? 19 ARG H HD2 1 ATOM 253 H HD3 . ARG A 1 19 ? 30.068 -63.943 -14.126 1.00 51.60 ? 19 ARG H HD3 1 ATOM 254 H HE . ARG A 1 19 ? 27.641 -63.166 -15.114 1.00 60.03 ? 19 ARG H HE 1 ATOM 255 H HH11 . ARG A 1 19 ? 29.687 -65.739 -14.627 1.00 69.45 ? 19 ARG H HH11 1 ATOM 256 H HH12 . ARG A 1 19 ? 28.709 -66.788 -15.028 1.00 69.45 ? 19 ARG H HH12 1 ATOM 257 H HH21 . ARG A 1 19 ? 26.188 -64.782 -15.706 1.00 78.06 ? 19 ARG H HH21 1 ATOM 258 H HH22 . ARG A 1 19 ? 26.604 -66.213 -15.677 1.00 78.06 ? 19 ARG H HH22 1 ATOM 259 N N . LEU A 1 20 ? 29.366 -60.139 -10.668 1.00 34.06 ? 20 LEU H N 1 ATOM 260 C CA . LEU A 1 20 ? 30.403 -60.165 -9.645 1.00 34.61 ? 20 LEU H CA 1 ATOM 261 C C . LEU A 1 20 ? 31.027 -61.548 -9.588 1.00 32.75 ? 20 LEU H C 1 ATOM 262 O O . LEU A 1 20 ? 30.420 -62.531 -10.017 1.00 27.43 ? 20 LEU H O 1 ATOM 263 C CB . LEU A 1 20 ? 29.816 -59.840 -8.273 1.00 33.34 ? 20 LEU H CB 1 ATOM 264 C CG . LEU A 1 20 ? 29.174 -58.468 -8.088 1.00 31.33 ? 20 LEU H CG 1 ATOM 265 C CD1 . LEU A 1 20 ? 28.623 -58.344 -6.677 1.00 31.48 ? 20 LEU H CD1 1 ATOM 266 C CD2 . LEU A 1 20 ? 30.178 -57.368 -8.375 1.00 26.77 ? 20 LEU H CD2 1 ATOM 267 H H . LEU A 1 20 ? 28.614 -60.465 -10.407 1.00 40.88 ? 20 LEU H H 1 ATOM 268 H HA . LEU A 1 20 ? 31.099 -59.509 -9.857 1.00 41.53 ? 20 LEU H HA 1 ATOM 269 H HB2 . LEU A 1 20 ? 29.135 -60.501 -8.074 1.00 40.00 ? 20 LEU H HB2 1 ATOM 270 H HB3 . LEU A 1 20 ? 30.528 -59.911 -7.618 1.00 40.00 ? 20 LEU H HB3 1 ATOM 271 H HG . LEU A 1 20 ? 28.436 -58.375 -8.711 1.00 37.60 ? 20 LEU H HG 1 ATOM 272 H HD11 . LEU A 1 20 ? 28.222 -57.478 -6.573 1.00 37.77 ? 20 LEU H HD11 1 ATOM 273 H HD12 . LEU A 1 20 ? 27.964 -59.029 -6.538 1.00 37.77 ? 20 LEU H HD12 1 ATOM 274 H HD13 . LEU A 1 20 ? 29.343 -58.450 -6.050 1.00 37.77 ? 20 LEU H HD13 1 ATOM 275 H HD21 . LEU A 1 20 ? 29.752 -56.517 -8.253 1.00 32.12 ? 20 LEU H HD21 1 ATOM 276 H HD22 . LEU A 1 20 ? 30.918 -57.455 -7.769 1.00 32.12 ? 20 LEU H HD22 1 ATOM 277 H HD23 . LEU A 1 20 ? 30.485 -57.454 -9.281 1.00 32.12 ? 20 LEU H HD23 1 ATOM 278 N N . SER A 1 21 ? 32.234 -61.621 -9.042 1.00 33.95 ? 21 SER H N 1 ATOM 279 C CA . SER A 1 21 ? 32.913 -62.897 -8.874 1.00 34.23 ? 21 SER H CA 1 ATOM 280 C C . SER A 1 21 ? 33.683 -62.924 -7.555 1.00 35.83 ? 21 SER H C 1 ATOM 281 O O . SER A 1 21 ? 34.117 -61.886 -7.056 1.00 39.16 ? 21 SER H O 1 ATOM 282 C CB . SER A 1 21 ? 33.853 -63.164 -10.051 1.00 37.35 ? 21 SER H CB 1 ATOM 283 O OG . SER A 1 21 ? 34.787 -62.112 -10.209 1.00 43.06 ? 21 SER H OG 1 ATOM 284 H H . SER A 1 21 ? 32.683 -60.944 -8.759 1.00 40.74 ? 21 SER H H 1 ATOM 285 H HA . SER A 1 21 ? 32.245 -63.613 -8.850 1.00 41.07 ? 21 SER H HA 1 ATOM 286 H HB2 . SER A 1 21 ? 34.335 -63.990 -9.888 1.00 44.82 ? 21 SER H HB2 1 ATOM 287 H HB3 . SER A 1 21 ? 33.327 -63.242 -10.862 1.00 44.82 ? 21 SER H HB3 1 ATOM 288 H HG . SER A 1 21 ? 35.283 -62.270 -10.843 1.00 51.67 ? 21 SER H HG 1 ATOM 289 N N . CYS A 1 22 ? 33.843 -64.121 -6.999 1.00 32.26 ? 22 CYS H N 1 ATOM 290 C CA . CYS A 1 22 ? 34.531 -64.305 -5.728 1.00 31.71 ? 22 CYS H CA 1 ATOM 291 C C . CYS A 1 22 ? 35.551 -65.433 -5.862 1.00 37.30 ? 22 CYS H C 1 ATOM 292 O O . CYS A 1 22 ? 35.186 -66.585 -6.086 1.00 41.14 ? 22 CYS H O 1 ATOM 293 C CB . CYS A 1 22 ? 33.518 -64.630 -4.625 1.00 28.29 ? 22 CYS H CB 1 ATOM 294 S SG . CYS A 1 22 ? 34.204 -64.845 -2.964 1.00 68.03 ? 22 CYS H SG 1 ATOM 295 H H . CYS A 1 22 ? 33.557 -64.854 -7.346 1.00 38.72 ? 22 CYS H H 1 ATOM 296 H HA . CYS A 1 22 ? 35.005 -63.482 -5.486 1.00 38.06 ? 22 CYS H HA 1 ATOM 297 H HB2 . CYS A 1 22 ? 32.872 -63.908 -4.581 1.00 33.95 ? 22 CYS H HB2 1 ATOM 298 H HB3 . CYS A 1 22 ? 33.064 -65.455 -4.860 1.00 33.95 ? 22 CYS H HB3 1 ATOM 299 N N . LEU A 1 23 ? 36.830 -65.094 -5.735 1.00 38.44 ? 23 LEU H N 1 ATOM 300 C CA . LEU A 1 23 ? 37.901 -66.076 -5.869 1.00 39.25 ? 23 LEU H CA 1 ATOM 301 C C . LEU A 1 23 ? 38.241 -66.675 -4.508 1.00 40.23 ? 23 LEU H C 1 ATOM 302 O O . LEU A 1 23 ? 38.588 -65.954 -3.571 1.00 38.93 ? 23 LEU H O 1 ATOM 303 C CB . LEU A 1 23 ? 39.142 -65.425 -6.487 1.00 40.43 ? 23 LEU H CB 1 ATOM 304 C CG . LEU A 1 23 ? 40.163 -66.358 -7.150 1.00 46.18 ? 23 LEU H CG 1 ATOM 305 C CD1 . LEU A 1 23 ? 41.209 -65.549 -7.902 1.00 45.90 ? 23 LEU H CD1 1 ATOM 306 C CD2 . LEU A 1 23 ? 40.834 -67.273 -6.137 1.00 53.86 ? 23 LEU H CD2 1 ATOM 307 H H . LEU A 1 23 ? 37.105 -64.296 -5.571 1.00 46.13 ? 23 LEU H H 1 ATOM 308 H HA . LEU A 1 23 ? 37.606 -66.800 -6.460 1.00 47.10 ? 23 LEU H HA 1 ATOM 309 H HB2 . LEU A 1 23 ? 38.847 -64.796 -7.164 1.00 48.51 ? 23 LEU H HB2 1 ATOM 310 H HB3 . LEU A 1 23 ? 39.610 -64.943 -5.786 1.00 48.51 ? 23 LEU H HB3 1 ATOM 311 H HG . LEU A 1 23 ? 39.701 -66.917 -7.794 1.00 55.41 ? 23 LEU H HG 1 ATOM 312 H HD11 . LEU A 1 23 ? 41.836 -66.152 -8.309 1.00 55.08 ? 23 LEU H HD11 1 ATOM 313 H HD12 . LEU A 1 23 ? 40.773 -65.025 -8.578 1.00 55.08 ? 23 LEU H HD12 1 ATOM 314 H HD13 . LEU A 1 23 ? 41.663 -64.973 -7.283 1.00 55.08 ? 23 LEU H HD13 1 ATOM 315 H HD21 . LEU A 1 23 ? 41.462 -67.837 -6.594 1.00 64.64 ? 23 LEU H HD21 1 ATOM 316 H HD22 . LEU A 1 23 ? 41.290 -66.736 -5.485 1.00 64.64 ? 23 LEU H HD22 1 ATOM 317 H HD23 . LEU A 1 23 ? 40.163 -67.809 -5.708 1.00 64.64 ? 23 LEU H HD23 1 ATOM 318 N N . ALA A 1 24 ? 38.144 -67.998 -4.410 1.00 41.11 ? 24 ALA H N 1 ATOM 319 C CA . ALA A 1 24 ? 38.379 -68.698 -3.152 1.00 38.52 ? 24 ALA H CA 1 ATOM 320 C C . ALA A 1 24 ? 39.734 -69.398 -3.133 1.00 40.96 ? 24 ALA H C 1 ATOM 321 O O . ALA A 1 24 ? 40.261 -69.788 -4.174 1.00 42.25 ? 24 ALA H O 1 ATOM 322 C CB . ALA A 1 24 ? 37.270 -69.706 -2.904 1.00 33.61 ? 24 ALA H CB 1 ATOM 323 H H . ALA A 1 24 ? 37.940 -68.517 -5.065 1.00 49.33 ? 24 ALA H H 1 ATOM 324 H HA . ALA A 1 24 ? 38.365 -68.048 -2.419 1.00 46.23 ? 24 ALA H HA 1 ATOM 325 H HB1 . ALA A 1 24 ? 37.439 -70.158 -2.074 1.00 40.33 ? 24 ALA H HB1 1 ATOM 326 H HB2 . ALA A 1 24 ? 36.430 -69.242 -2.860 1.00 40.33 ? 24 ALA H HB2 1 ATOM 327 H HB3 . ALA A 1 24 ? 37.256 -70.339 -3.625 1.00 40.33 ? 24 ALA H HB3 1 ATOM 328 N N . SER A 1 25 ? 40.286 -69.558 -1.934 1.00 40.62 ? 25 SER H N 1 ATOM 329 C CA . SER A 1 25 ? 41.543 -70.271 -1.745 1.00 44.41 ? 25 SER H CA 1 ATOM 330 C C . SER A 1 25 ? 41.709 -70.646 -0.279 1.00 48.50 ? 25 SER H C 1 ATOM 331 O O . SER A 1 25 ? 41.057 -70.076 0.595 1.00 51.67 ? 25 SER H O 1 ATOM 332 C CB . SER A 1 25 ? 42.726 -69.410 -2.190 1.00 46.53 ? 25 SER H CB 1 ATOM 333 O OG . SER A 1 25 ? 42.846 -68.250 -1.385 1.00 46.04 ? 25 SER H OG 1 ATOM 334 H H . SER A 1 25 ? 39.945 -69.258 -1.203 1.00 48.75 ? 25 SER H H 1 ATOM 335 H HA . SER A 1 25 ? 41.538 -71.093 -2.278 1.00 53.29 ? 25 SER H HA 1 ATOM 336 H HB2 . SER A 1 25 ? 43.541 -69.931 -2.114 1.00 55.83 ? 25 SER H HB2 1 ATOM 337 H HB3 . SER A 1 25 ? 42.591 -69.141 -3.112 1.00 55.83 ? 25 SER H HB3 1 ATOM 338 H HG . SER A 1 25 ? 43.483 -67.799 -1.636 1.00 55.25 ? 25 SER H HG 1 ATOM 339 N N . GLY A 1 26 ? 42.582 -71.610 -0.013 1.00 49.12 ? 26 GLY H N 1 ATOM 340 C CA . GLY A 1 26 ? 42.855 -72.030 1.347 1.00 50.24 ? 26 GLY H CA 1 ATOM 341 C C . GLY A 1 26 ? 41.970 -73.168 1.817 1.00 53.16 ? 26 GLY H C 1 ATOM 342 O O . GLY A 1 26 ? 42.101 -73.627 2.951 1.00 56.55 ? 26 GLY H O 1 ATOM 343 H H . GLY A 1 26 ? 43.031 -72.037 -0.610 1.00 58.95 ? 26 GLY H H 1 ATOM 344 H HA2 . GLY A 1 26 ? 43.779 -72.317 1.414 1.00 60.29 ? 26 GLY H HA2 1 ATOM 345 H HA3 . GLY A 1 26 ? 42.726 -71.278 1.946 1.00 60.29 ? 26 GLY H HA3 1 ATOM 346 N N . PHE A 1 27 ? 41.068 -73.627 0.956 1.00 53.82 ? 27 PHE H N 1 ATOM 347 C CA . PHE A 1 27 ? 40.199 -74.747 1.302 1.00 54.07 ? 27 PHE H CA 1 ATOM 348 C C . PHE A 1 27 ? 39.602 -75.403 0.062 1.00 54.15 ? 27 PHE H C 1 ATOM 349 O O . PHE A 1 27 ? 39.662 -74.851 -1.037 1.00 55.66 ? 27 PHE H O 1 ATOM 350 C CB . PHE A 1 27 ? 39.079 -74.285 2.237 1.00 50.52 ? 27 PHE H CB 1 ATOM 351 C CG . PHE A 1 27 ? 38.092 -73.353 1.592 1.00 46.93 ? 27 PHE H CG 1 ATOM 352 C CD1 . PHE A 1 27 ? 38.347 -71.993 1.515 1.00 45.06 ? 27 PHE H CD1 1 ATOM 353 C CD2 . PHE A 1 27 ? 36.904 -73.837 1.073 1.00 42.82 ? 27 PHE H CD2 1 ATOM 354 C CE1 . PHE A 1 27 ? 37.435 -71.134 0.927 1.00 39.60 ? 27 PHE H CE1 1 ATOM 355 C CE2 . PHE A 1 27 ? 35.987 -72.984 0.486 1.00 37.87 ? 27 PHE H CE2 1 ATOM 356 C CZ . PHE A 1 27 ? 36.253 -71.631 0.413 1.00 35.99 ? 27 PHE H CZ 1 ATOM 357 H H . PHE A 1 27 ? 40.939 -73.310 0.167 1.00 64.59 ? 27 PHE H H 1 ATOM 358 H HA . PHE A 1 27 ? 40.727 -75.424 1.776 1.00 64.88 ? 27 PHE H HA 1 ATOM 359 H HB2 . PHE A 1 27 ? 38.591 -75.063 2.548 1.00 60.62 ? 27 PHE H HB2 1 ATOM 360 H HB3 . PHE A 1 27 ? 39.475 -73.821 2.992 1.00 60.62 ? 27 PHE H HB3 1 ATOM 361 H HD1 . PHE A 1 27 ? 39.141 -71.653 1.861 1.00 54.08 ? 27 PHE H HD1 1 ATOM 362 H HD2 . PHE A 1 27 ? 36.719 -74.747 1.121 1.00 51.39 ? 27 PHE H HD2 1 ATOM 363 H HE1 . PHE A 1 27 ? 37.616 -70.223 0.879 1.00 47.52 ? 27 PHE H HE1 1 ATOM 364 H HE2 . PHE A 1 27 ? 35.193 -73.322 0.139 1.00 45.44 ? 27 PHE H HE2 1 ATOM 365 H HZ . PHE A 1 27 ? 35.639 -71.057 0.016 1.00 43.18 ? 27 PHE H HZ 1 ATOM 366 N N . THR A 1 28 ? 39.030 -76.588 0.250 1.00 52.45 ? 28 THR H N 1 ATOM 367 C CA . THR A 1 28 ? 38.388 -77.317 -0.836 1.00 53.14 ? 28 THR H CA 1 ATOM 368 C C . THR A 1 28 ? 37.055 -76.664 -1.187 1.00 51.18 ? 28 THR H C 1 ATOM 369 O O . THR A 1 28 ? 36.044 -76.890 -0.523 1.00 51.02 ? 28 THR H O 1 ATOM 370 C CB . THR A 1 28 ? 38.159 -78.791 -0.460 1.00 56.68 ? 28 THR H CB 1 ATOM 371 O OG1 . THR A 1 28 ? 39.422 -79.425 -0.222 1.00 61.81 ? 28 THR H OG1 1 ATOM 372 C CG2 . THR A 1 28 ? 37.429 -79.528 -1.574 1.00 57.41 ? 28 THR H CG2 1 ATOM 373 H H . THR A 1 28 ? 39.000 -76.995 1.008 1.00 62.94 ? 28 THR H H 1 ATOM 374 H HA . THR A 1 28 ? 38.963 -77.288 -1.630 1.00 63.77 ? 28 THR H HA 1 ATOM 375 H HB . THR A 1 28 ? 37.619 -78.839 0.344 1.00 68.02 ? 28 THR H HB 1 ATOM 376 H HG1 . THR A 1 28 ? 39.308 -80.212 -0.021 1.00 74.17 ? 28 THR H HG1 1 ATOM 377 H HG21 . THR A 1 28 ? 37.293 -80.445 -1.326 1.00 68.89 ? 28 THR H HG21 1 ATOM 378 H HG22 . THR A 1 28 ? 36.576 -79.118 -1.733 1.00 68.89 ? 28 THR H HG22 1 ATOM 379 H HG23 . THR A 1 28 ? 37.947 -79.496 -2.382 1.00 68.89 ? 28 THR H HG23 1 ATOM 380 N N . PHE A 1 29 ? 37.072 -75.854 -2.240 1.00 49.93 ? 29 PHE H N 1 ATOM 381 C CA . PHE A 1 29 ? 35.924 -75.046 -2.640 1.00 42.96 ? 29 PHE H CA 1 ATOM 382 C C . PHE A 1 29 ? 34.654 -75.869 -2.861 1.00 41.99 ? 29 PHE H C 1 ATOM 383 O O . PHE A 1 29 ? 33.601 -75.563 -2.300 1.00 38.69 ? 29 PHE H O 1 ATOM 384 C CB . PHE A 1 29 ? 36.277 -74.280 -3.917 1.00 38.74 ? 29 PHE H CB 1 ATOM 385 C CG . PHE A 1 29 ? 35.234 -73.291 -4.350 1.00 35.51 ? 29 PHE H CG 1 ATOM 386 C CD1 . PHE A 1 29 ? 34.815 -72.282 -3.497 1.00 32.93 ? 29 PHE H CD1 1 ATOM 387 C CD2 . PHE A 1 29 ? 34.691 -73.353 -5.624 1.00 36.62 ? 29 PHE H CD2 1 ATOM 388 C CE1 . PHE A 1 29 ? 33.859 -71.364 -3.901 1.00 32.49 ? 29 PHE H CE1 1 ATOM 389 C CE2 . PHE A 1 29 ? 33.739 -72.438 -6.036 1.00 37.17 ? 29 PHE H CE2 1 ATOM 390 C CZ . PHE A 1 29 ? 33.322 -71.441 -5.172 1.00 34.78 ? 29 PHE H CZ 1 ATOM 391 H H . PHE A 1 29 ? 37.755 -75.752 -2.752 1.00 59.91 ? 29 PHE H H 1 ATOM 392 H HA . PHE A 1 29 ? 35.738 -74.389 -1.936 1.00 51.56 ? 29 PHE H HA 1 ATOM 393 H HB2 . PHE A 1 29 ? 37.103 -73.792 -3.770 1.00 46.49 ? 29 PHE H HB2 1 ATOM 394 H HB3 . PHE A 1 29 ? 36.398 -74.917 -4.639 1.00 46.49 ? 29 PHE H HB3 1 ATOM 395 H HD1 . PHE A 1 29 ? 35.173 -72.226 -2.641 1.00 39.51 ? 29 PHE H HD1 1 ATOM 396 H HD2 . PHE A 1 29 ? 34.968 -74.022 -6.208 1.00 43.95 ? 29 PHE H HD2 1 ATOM 397 H HE1 . PHE A 1 29 ? 33.582 -70.694 -3.318 1.00 38.99 ? 29 PHE H HE1 1 ATOM 398 H HE2 . PHE A 1 29 ? 33.378 -72.493 -6.891 1.00 44.61 ? 29 PHE H HE2 1 ATOM 399 H HZ . PHE A 1 29 ? 32.681 -70.826 -5.445 1.00 41.74 ? 29 PHE H HZ 1 ATOM 400 N N . HIS A 1 30 ? 34.761 -76.918 -3.669 1.00 43.60 ? 30 HIS H N 1 ATOM 401 C CA . HIS A 1 30 ? 33.588 -77.665 -4.118 1.00 45.37 ? 30 HIS H CA 1 ATOM 402 C C . HIS A 1 30 ? 32.932 -78.519 -3.032 1.00 49.71 ? 30 HIS H C 1 ATOM 403 O O . HIS A 1 30 ? 31.985 -79.251 -3.314 1.00 53.09 ? 30 HIS H O 1 ATOM 404 C CB . HIS A 1 30 ? 33.964 -78.563 -5.296 1.00 48.25 ? 30 HIS H CB 1 ATOM 405 C CG . HIS A 1 30 ? 34.929 -79.647 -4.938 1.00 53.33 ? 30 HIS H CG 1 ATOM 406 N ND1 . HIS A 1 30 ? 36.294 -79.497 -5.054 1.00 60.20 ? 30 HIS H ND1 1 ATOM 407 C CD2 . HIS A 1 30 ? 34.727 -80.897 -4.459 1.00 54.31 ? 30 HIS H CD2 1 ATOM 408 C CE1 . HIS A 1 30 ? 36.891 -80.609 -4.667 1.00 64.21 ? 30 HIS H CE1 1 ATOM 409 N NE2 . HIS A 1 30 ? 35.962 -81.475 -4.300 1.00 60.83 ? 30 HIS H NE2 1 ATOM 410 H H . HIS A 1 30 ? 35.506 -77.221 -3.974 1.00 52.32 ? 30 HIS H H 1 ATOM 411 H HA . HIS A 1 30 ? 32.917 -77.026 -4.436 1.00 54.45 ? 30 HIS H HA 1 ATOM 412 H HB2 . HIS A 1 30 ? 33.160 -78.982 -5.640 1.00 57.90 ? 30 HIS H HB2 1 ATOM 413 H HB3 . HIS A 1 30 ? 34.373 -78.018 -5.987 1.00 57.90 ? 30 HIS H HB3 1 ATOM 414 H HD2 . HIS A 1 30 ? 33.905 -81.291 -4.275 1.00 65.17 ? 30 HIS H HD2 1 ATOM 415 H HE1 . HIS A 1 30 ? 37.809 -80.757 -4.653 1.00 77.05 ? 30 HIS H HE1 1 ATOM 416 H HE2 . HIS A 1 30 ? 36.108 -82.271 -4.009 1.00 73.00 ? 30 HIS H HE2 1 ATOM 417 N N . LYS A 1 31 ? 33.431 -78.440 -1.802 1.00 50.01 ? 31 LYS H N 1 ATOM 418 C CA . LYS A 1 31 ? 32.826 -79.171 -0.692 1.00 51.46 ? 31 LYS H CA 1 ATOM 419 C C . LYS A 1 31 ? 31.872 -78.298 0.115 1.00 47.75 ? 31 LYS H C 1 ATOM 420 O O . LYS A 1 31 ? 31.141 -78.799 0.969 1.00 51.21 ? 31 LYS H O 1 ATOM 421 C CB . LYS A 1 31 ? 33.905 -79.727 0.239 1.00 57.90 ? 31 LYS H CB 1 ATOM 422 C CG . LYS A 1 31 ? 34.526 -81.031 -0.224 1.00 67.12 ? 31 LYS H CG 1 ATOM 423 C CD . LYS A 1 31 ? 35.460 -81.591 0.834 1.00 78.65 ? 31 LYS H CD 1 ATOM 424 C CE . LYS A 1 31 ? 36.054 -82.922 0.411 1.00 93.14 ? 31 LYS H CE 1 ATOM 425 N NZ . LYS A 1 31 ? 37.007 -83.445 1.428 1.00 102.21 ? 31 LYS H NZ 1 ATOM 426 H H . LYS A 1 31 ? 34.118 -77.970 -1.584 1.00 60.01 ? 31 LYS H H 1 ATOM 427 H HA . LYS A 1 31 ? 32.316 -79.927 -1.050 1.00 61.75 ? 31 LYS H HA 1 ATOM 428 H HB2 . LYS A 1 31 ? 34.617 -79.072 0.314 1.00 69.48 ? 31 LYS H HB2 1 ATOM 429 H HB3 . LYS A 1 31 ? 33.511 -79.882 1.112 1.00 69.48 ? 31 LYS H HB3 1 ATOM 430 H HG2 . LYS A 1 31 ? 33.825 -81.682 -0.387 1.00 80.55 ? 31 LYS H HG2 1 ATOM 431 H HG3 . LYS A 1 31 ? 35.038 -80.875 -1.032 1.00 80.55 ? 31 LYS H HG3 1 ATOM 432 H HD2 . LYS A 1 31 ? 36.187 -80.966 0.980 1.00 94.38 ? 31 LYS H HD2 1 ATOM 433 H HD3 . LYS A 1 31 ? 34.965 -81.728 1.657 1.00 94.38 ? 31 LYS H HD3 1 ATOM 434 H HE2 . LYS A 1 31 ? 35.341 -83.570 0.301 1.00 111.77 ? 31 LYS H HE2 1 ATOM 435 H HE3 . LYS A 1 31 ? 36.535 -82.806 -0.424 1.00 111.77 ? 31 LYS H HE3 1 ATOM 436 H HZ1 . LYS A 1 31 ? 37.342 -84.225 1.158 1.00 122.66 ? 31 LYS H HZ1 1 ATOM 437 H HZ2 . LYS A 1 31 ? 37.675 -82.868 1.545 1.00 122.66 ? 31 LYS H HZ2 1 ATOM 438 H HZ3 . LYS A 1 31 ? 36.588 -83.564 2.204 1.00 122.66 ? 31 LYS H HZ3 1 ATOM 439 N N . TYR A 1 32 ? 31.878 -76.996 -0.154 1.00 42.03 ? 32 TYR H N 1 ATOM 440 C CA . TYR A 1 32 ? 31.103 -76.051 0.644 1.00 36.23 ? 32 TYR H CA 1 ATOM 441 C C . TYR A 1 32 ? 30.079 -75.283 -0.178 1.00 35.77 ? 32 TYR H C 1 ATOM 442 O O . TYR A 1 32 ? 30.351 -74.884 -1.310 1.00 41.52 ? 32 TYR H O 1 ATOM 443 C CB . TYR A 1 32 ? 32.040 -75.048 1.316 1.00 33.39 ? 32 TYR H CB 1 ATOM 444 C CG . TYR A 1 32 ? 32.959 -75.652 2.349 1.00 37.99 ? 32 TYR H CG 1 ATOM 445 C CD1 . TYR A 1 32 ? 32.624 -75.637 3.695 1.00 42.77 ? 32 TYR H CD1 1 ATOM 446 C CD2 . TYR A 1 32 ? 34.166 -76.232 1.979 1.00 40.14 ? 32 TYR H CD2 1 ATOM 447 C CE1 . TYR A 1 32 ? 33.463 -76.186 4.647 1.00 44.95 ? 32 TYR H CE1 1 ATOM 448 C CE2 . TYR A 1 32 ? 35.012 -76.785 2.923 1.00 43.46 ? 32 TYR H CE2 1 ATOM 449 C CZ . TYR A 1 32 ? 34.656 -76.758 4.256 1.00 44.55 ? 32 TYR H CZ 1 ATOM 450 O OH . TYR A 1 32 ? 35.494 -77.307 5.201 1.00 43.17 ? 32 TYR H OH 1 ATOM 451 H H . TYR A 1 32 ? 32.324 -76.633 -0.794 1.00 50.44 ? 32 TYR H H 1 ATOM 452 H HA . TYR A 1 32 ? 30.626 -76.541 1.346 1.00 43.48 ? 32 TYR H HA 1 ATOM 453 H HB2 . TYR A 1 32 ? 32.593 -74.635 0.634 1.00 40.07 ? 32 TYR H HB2 1 ATOM 454 H HB3 . TYR A 1 32 ? 31.505 -74.370 1.758 1.00 40.07 ? 32 TYR H HB3 1 ATOM 455 H HD1 . TYR A 1 32 ? 31.821 -75.252 3.962 1.00 51.32 ? 32 TYR H HD1 1 ATOM 456 H HD2 . TYR A 1 32 ? 34.408 -76.251 1.082 1.00 48.17 ? 32 TYR H HD2 1 ATOM 457 H HE1 . TYR A 1 32 ? 33.225 -76.170 5.546 1.00 53.94 ? 32 TYR H HE1 1 ATOM 458 H HE2 . TYR A 1 32 ? 35.817 -77.171 2.661 1.00 52.15 ? 32 TYR H HE2 1 ATOM 459 H HH . TYR A 1 32 ? 35.109 -77.911 5.599 1.00 51.80 ? 32 TYR H HH 1 ATOM 460 N N . GLY A 1 33 ? 28.903 -75.071 0.405 1.00 31.09 ? 33 GLY H N 1 ATOM 461 C CA . GLY A 1 33 ? 27.927 -74.160 -0.161 1.00 31.62 ? 33 GLY H CA 1 ATOM 462 C C . GLY A 1 33 ? 28.423 -72.739 0.026 1.00 32.36 ? 33 GLY H C 1 ATOM 463 O O . GLY A 1 33 ? 29.308 -72.495 0.848 1.00 28.21 ? 33 GLY H O 1 ATOM 464 H H . GLY A 1 33 ? 28.648 -75.449 1.135 1.00 37.31 ? 33 GLY H H 1 ATOM 465 H HA2 . GLY A 1 33 ? 27.813 -74.337 -1.108 1.00 37.95 ? 33 GLY H HA2 1 ATOM 466 H HA3 . GLY A 1 33 ? 27.073 -74.262 0.288 1.00 37.95 ? 33 GLY H HA3 1 ATOM 467 N N . MET A 1 34 ? 27.858 -71.799 -0.726 1.00 33.74 ? 34 MET H N 1 ATOM 468 C CA . MET A 1 34 ? 28.342 -70.423 -0.715 1.00 30.11 ? 34 MET H CA 1 ATOM 469 C C . MET A 1 34 ? 27.203 -69.406 -0.751 1.00 28.37 ? 34 MET H C 1 ATOM 470 O O . MET A 1 34 ? 26.190 -69.614 -1.419 1.00 31.62 ? 34 MET H O 1 ATOM 471 C CB . MET A 1 34 ? 29.275 -70.196 -1.904 1.00 31.32 ? 34 MET H CB 1 ATOM 472 C CG . MET A 1 34 ? 30.540 -71.041 -1.864 1.00 32.43 ? 34 MET H CG 1 ATOM 473 S SD . MET A 1 34 ? 31.664 -70.570 -0.534 1.00 46.23 ? 34 MET H SD 1 ATOM 474 C CE . MET A 1 34 ? 32.087 -68.898 -1.022 1.00 32.58 ? 34 MET H CE 1 ATOM 475 H H . MET A 1 34 ? 27.191 -71.933 -1.253 1.00 40.48 ? 34 MET H H 1 ATOM 476 H HA . MET A 1 34 ? 28.862 -70.281 0.103 1.00 36.13 ? 34 MET H HA 1 ATOM 477 H HB2 . MET A 1 34 ? 28.799 -70.414 -2.720 1.00 37.58 ? 34 MET H HB2 1 ATOM 478 H HB3 . MET A 1 34 ? 29.542 -69.264 -1.918 1.00 37.58 ? 34 MET H HB3 1 ATOM 479 H HG2 . MET A 1 34 ? 30.294 -71.970 -1.733 1.00 38.91 ? 34 MET H HG2 1 ATOM 480 H HG3 . MET A 1 34 ? 31.013 -70.940 -2.705 1.00 38.91 ? 34 MET H HG3 1 ATOM 481 H HE1 . MET A 1 34 ? 32.696 -68.530 -0.377 1.00 39.10 ? 34 MET H HE1 1 ATOM 482 H HE2 . MET A 1 34 ? 32.502 -68.921 -1.887 1.00 39.10 ? 34 MET H HE2 1 ATOM 483 H HE3 . MET A 1 34 ? 31.286 -68.371 -1.055 1.00 39.10 ? 34 MET H HE3 1 ATOM 484 N N . HIS A 1 35 ? 27.391 -68.301 -0.032 1.00 26.39 ? 35 HIS H N 1 ATOM 485 C CA . HIS A 1 35 ? 26.378 -67.258 0.091 1.00 27.43 ? 35 HIS H CA 1 ATOM 486 C C . HIS A 1 35 ? 26.815 -65.951 -0.562 1.00 30.29 ? 35 HIS H C 1 ATOM 487 O O . HIS A 1 35 ? 28.008 -65.687 -0.712 1.00 32.13 ? 35 HIS H O 1 ATOM 488 C CB . HIS A 1 35 ? 26.111 -66.948 1.567 1.00 26.65 ? 35 HIS H CB 1 ATOM 489 C CG . HIS A 1 35 ? 25.541 -68.091 2.347 1.00 32.72 ? 35 HIS H CG 1 ATOM 490 N ND1 . HIS A 1 35 ? 24.187 -68.257 2.537 1.00 33.39 ? 35 HIS H ND1 1 ATOM 491 C CD2 . HIS A 1 35 ? 26.142 -69.103 3.017 1.00 36.91 ? 35 HIS H CD2 1 ATOM 492 C CE1 . HIS A 1 35 ? 23.976 -69.332 3.275 1.00 34.91 ? 35 HIS H CE1 1 ATOM 493 N NE2 . HIS A 1 35 ? 25.146 -69.863 3.580 1.00 36.96 ? 35 HIS H NE2 1 ATOM 494 H H . HIS A 1 35 ? 28.113 -68.131 0.403 1.00 31.66 ? 35 HIS H H 1 ATOM 495 H HA . HIS A 1 35 ? 25.542 -67.555 -0.325 1.00 32.92 ? 35 HIS H HA 1 ATOM 496 H HB2 . HIS A 1 35 ? 26.947 -66.693 1.987 1.00 31.98 ? 35 HIS H HB2 1 ATOM 497 H HB3 . HIS A 1 35 ? 25.481 -66.212 1.621 1.00 31.98 ? 35 HIS H HB3 1 ATOM 498 H HD2 . HIS A 1 35 ? 27.057 -69.259 3.078 1.00 44.29 ? 35 HIS H HD2 1 ATOM 499 H HE1 . HIS A 1 35 ? 23.145 -69.658 3.536 1.00 41.90 ? 35 HIS H HE1 1 ATOM 500 H HE2 . HIS A 1 35 ? 25.265 -70.572 4.053 1.00 44.35 ? 35 HIS H HE2 1 ATOM 501 N N . TRP A 1 36 ? 25.836 -65.133 -0.937 1.00 29.43 ? 36 TRP H N 1 ATOM 502 C CA . TRP A 1 36 ? 26.067 -63.713 -1.183 1.00 27.68 ? 36 TRP H CA 1 ATOM 503 C C . TRP A 1 36 ? 25.230 -62.926 -0.184 1.00 28.54 ? 36 TRP H C 1 ATOM 504 O O . TRP A 1 36 ? 24.052 -63.222 0.019 1.00 30.02 ? 36 TRP H O 1 ATOM 505 C CB . TRP A 1 36 ? 25.679 -63.303 -2.606 1.00 22.63 ? 36 TRP H CB 1 ATOM 506 C CG . TRP A 1 36 ? 26.666 -63.700 -3.661 1.00 24.00 ? 36 TRP H CG 1 ATOM 507 C CD1 . TRP A 1 36 ? 26.558 -64.749 -4.526 1.00 24.13 ? 36 TRP H CD1 1 ATOM 508 C CD2 . TRP A 1 36 ? 27.906 -63.049 -3.973 1.00 27.22 ? 36 TRP H CD2 1 ATOM 509 N NE1 . TRP A 1 36 ? 27.653 -64.795 -5.354 1.00 25.49 ? 36 TRP H NE1 1 ATOM 510 C CE2 . TRP A 1 36 ? 28.495 -63.763 -5.036 1.00 29.47 ? 36 TRP H CE2 1 ATOM 511 C CE3 . TRP A 1 36 ? 28.575 -61.935 -3.456 1.00 28.11 ? 36 TRP H CE3 1 ATOM 512 C CZ2 . TRP A 1 36 ? 29.722 -63.401 -5.590 1.00 31.73 ? 36 TRP H CZ2 1 ATOM 513 C CZ3 . TRP A 1 36 ? 29.794 -61.577 -4.009 1.00 26.96 ? 36 TRP H CZ3 1 ATOM 514 C CH2 . TRP A 1 36 ? 30.354 -62.308 -5.065 1.00 29.97 ? 36 TRP H CH2 1 ATOM 515 H H . TRP A 1 36 ? 25.021 -65.379 -1.057 1.00 35.32 ? 36 TRP H H 1 ATOM 516 H HA . TRP A 1 36 ? 27.013 -63.501 -1.040 1.00 33.21 ? 36 TRP H HA 1 ATOM 517 H HB2 . TRP A 1 36 ? 24.830 -63.718 -2.827 1.00 27.16 ? 36 TRP H HB2 1 ATOM 518 H HB3 . TRP A 1 36 ? 25.589 -62.338 -2.637 1.00 27.16 ? 36 TRP H HB3 1 ATOM 519 H HD1 . TRP A 1 36 ? 25.846 -65.347 -4.552 1.00 28.95 ? 36 TRP H HD1 1 ATOM 520 H HE1 . TRP A 1 36 ? 27.787 -65.378 -5.972 1.00 30.59 ? 36 TRP H HE1 1 ATOM 521 H HE3 . TRP A 1 36 ? 28.209 -61.445 -2.755 1.00 33.73 ? 36 TRP H HE3 1 ATOM 522 H HZ2 . TRP A 1 36 ? 30.097 -63.884 -6.291 1.00 38.07 ? 36 TRP H HZ2 1 ATOM 523 H HZ3 . TRP A 1 36 ? 30.248 -60.838 -3.674 1.00 32.36 ? 36 TRP H HZ3 1 ATOM 524 H HH2 . TRP A 1 36 ? 31.173 -62.044 -5.417 1.00 35.97 ? 36 TRP H HH2 1 ATOM 525 N N . VAL A 1 37 ? 25.844 -61.931 0.444 1.00 27.20 ? 37 VAL H N 1 ATOM 526 C CA . VAL A 1 37 ? 25.138 -61.066 1.379 1.00 29.11 ? 37 VAL H CA 1 ATOM 527 C C . VAL A 1 37 ? 25.457 -59.619 1.041 1.00 28.24 ? 37 VAL H C 1 ATOM 528 O O . VAL A 1 37 ? 26.611 -59.279 0.797 1.00 31.42 ? 37 VAL H O 1 ATOM 529 C CB . VAL A 1 37 ? 25.563 -61.346 2.833 1.00 29.08 ? 37 VAL H CB 1 ATOM 530 C CG1 . VAL A 1 37 ? 24.718 -60.534 3.803 1.00 31.40 ? 37 VAL H CG1 1 ATOM 531 C CG2 . VAL A 1 37 ? 25.445 -62.826 3.144 1.00 22.47 ? 37 VAL H CG2 1 ATOM 532 H H . VAL A 1 37 ? 26.675 -61.734 0.345 1.00 32.64 ? 37 VAL H H 1 ATOM 533 H HA . VAL A 1 37 ? 24.172 -61.206 1.298 1.00 34.94 ? 37 VAL H HA 1 ATOM 534 H HB . VAL A 1 37 ? 26.500 -61.084 2.950 1.00 34.89 ? 37 VAL H HB 1 ATOM 535 H HG11 . VAL A 1 37 ? 25.002 -60.725 4.700 1.00 37.68 ? 37 VAL H HG11 1 ATOM 536 H HG12 . VAL A 1 37 ? 24.838 -59.600 3.615 1.00 37.68 ? 37 VAL H HG12 1 ATOM 537 H HG13 . VAL A 1 37 ? 23.796 -60.775 3.692 1.00 37.68 ? 37 VAL H HG13 1 ATOM 538 H HG21 . VAL A 1 37 ? 25.714 -62.976 4.053 1.00 26.97 ? 37 VAL H HG21 1 ATOM 539 H HG22 . VAL A 1 37 ? 24.532 -63.099 3.023 1.00 26.97 ? 37 VAL H HG22 1 ATOM 540 H HG23 . VAL A 1 37 ? 26.015 -63.317 2.548 1.00 26.97 ? 37 VAL H HG23 1 ATOM 541 N N . ARG A 1 38 ? 24.437 -58.769 1.016 1.00 24.83 ? 38 ARG H N 1 ATOM 542 C CA . ARG A 1 38 ? 24.648 -57.355 0.723 1.00 27.11 ? 38 ARG H CA 1 ATOM 543 C C . ARG A 1 38 ? 24.479 -56.484 1.961 1.00 30.30 ? 38 ARG H C 1 ATOM 544 O O . ARG A 1 38 ? 23.843 -56.880 2.937 1.00 30.57 ? 38 ARG H O 1 ATOM 545 C CB . ARG A 1 38 ? 23.691 -56.870 -0.368 1.00 27.88 ? 38 ARG H CB 1 ATOM 546 C CG . ARG A 1 38 ? 22.233 -57.172 -0.090 1.00 31.41 ? 38 ARG H CG 1 ATOM 547 C CD . ARG A 1 38 ? 21.312 -56.433 -1.045 1.00 35.04 ? 38 ARG H CD 1 ATOM 548 N NE . ARG A 1 38 ? 20.898 -55.141 -0.506 1.00 52.11 ? 38 ARG H NE 1 ATOM 549 C CZ . ARG A 1 38 ? 19.998 -54.343 -1.072 1.00 70.34 ? 38 ARG H CZ 1 ATOM 550 N NH1 . ARG A 1 38 ? 19.405 -54.695 -2.206 1.00 78.89 ? 38 ARG H NH1 1 ATOM 551 N NH2 . ARG A 1 38 ? 19.689 -53.187 -0.500 1.00 75.51 ? 38 ARG H NH2 1 ATOM 552 H H . ARG A 1 38 ? 23.617 -58.983 1.164 1.00 29.80 ? 38 ARG H H 1 ATOM 553 H HA . ARG A 1 38 ? 25.563 -57.234 0.394 1.00 32.53 ? 38 ARG H HA 1 ATOM 554 H HB2 . ARG A 1 38 ? 23.782 -55.909 -0.457 1.00 33.45 ? 38 ARG H HB2 1 ATOM 555 H HB3 . ARG A 1 38 ? 23.928 -57.301 -1.204 1.00 33.45 ? 38 ARG H HB3 1 ATOM 556 H HG2 . ARG A 1 38 ? 22.078 -58.124 -0.197 1.00 37.69 ? 38 ARG H HG2 1 ATOM 557 H HG3 . ARG A 1 38 ? 22.016 -56.897 0.814 1.00 37.69 ? 38 ARG H HG3 1 ATOM 558 H HD2 . ARG A 1 38 ? 21.777 -56.277 -1.881 1.00 42.05 ? 38 ARG H HD2 1 ATOM 559 H HD3 . ARG A 1 38 ? 20.516 -56.966 -1.199 1.00 42.05 ? 38 ARG H HD3 1 ATOM 560 H HE . ARG A 1 38 ? 21.261 -54.879 0.228 1.00 62.54 ? 38 ARG H HE 1 ATOM 561 H HH11 . ARG A 1 38 ? 19.602 -55.444 -2.579 1.00 94.67 ? 38 ARG H HH11 1 ATOM 562 H HH12 . ARG A 1 38 ? 18.824 -54.174 -2.566 1.00 94.67 ? 38 ARG H HH12 1 ATOM 563 H HH21 . ARG A 1 38 ? 20.071 -52.955 0.234 1.00 90.61 ? 38 ARG H HH21 1 ATOM 564 H HH22 . ARG A 1 38 ? 19.108 -52.669 -0.865 1.00 90.61 ? 38 ARG H HH22 1 ATOM 565 N N . GLN A 1 39 ? 25.056 -55.290 1.905 1.00 26.77 ? 39 GLN H N 1 ATOM 566 C CA . GLN A 1 39 ? 24.902 -54.313 2.966 1.00 24.63 ? 39 GLN H CA 1 ATOM 567 C C . GLN A 1 39 ? 24.818 -52.921 2.356 1.00 29.44 ? 39 GLN H C 1 ATOM 568 O O . GLN A 1 39 ? 25.822 -52.367 1.906 1.00 29.80 ? 39 GLN H O 1 ATOM 569 C CB . GLN A 1 39 ? 26.074 -54.386 3.943 1.00 23.36 ? 39 GLN H CB 1 ATOM 570 C CG . GLN A 1 39 ? 25.901 -53.495 5.162 1.00 24.39 ? 39 GLN H CG 1 ATOM 571 C CD . GLN A 1 39 ? 26.968 -53.726 6.212 1.00 27.13 ? 39 GLN H CD 1 ATOM 572 O OE1 . GLN A 1 39 ? 28.129 -53.982 5.890 1.00 25.05 ? 39 GLN H OE1 1 ATOM 573 N NE2 . GLN A 1 39 ? 26.578 -53.642 7.478 1.00 27.78 ? 39 GLN H NE2 1 ATOM 574 H H . GLN A 1 39 ? 25.548 -55.022 1.252 1.00 32.12 ? 39 GLN H H 1 ATOM 575 H HA . GLN A 1 39 ? 24.073 -54.489 3.458 1.00 29.55 ? 39 GLN H HA 1 ATOM 576 H HB2 . GLN A 1 39 ? 26.167 -55.300 4.253 1.00 28.03 ? 39 GLN H HB2 1 ATOM 577 H HB3 . GLN A 1 39 ? 26.882 -54.109 3.484 1.00 28.03 ? 39 GLN H HB3 1 ATOM 578 H HG2 . GLN A 1 39 ? 25.949 -52.566 4.885 1.00 29.27 ? 39 GLN H HG2 1 ATOM 579 H HG3 . GLN A 1 39 ? 25.038 -53.676 5.567 1.00 29.27 ? 39 GLN H HG3 1 ATOM 580 H HE21 . GLN A 1 39 ? 25.757 -53.466 7.665 1.00 33.34 ? 39 GLN H HE21 1 ATOM 581 H HE22 . GLN A 1 39 ? 27.146 -53.766 8.112 1.00 33.34 ? 39 GLN H HE22 1 ATOM 582 N N . ALA A 1 40 ? 23.613 -52.365 2.332 1.00 32.32 ? 40 ALA H N 1 ATOM 583 C CA . ALA A 1 40 ? 23.412 -51.025 1.802 1.00 36.15 ? 40 ALA H CA 1 ATOM 584 C C . ALA A 1 40 ? 24.075 -50.009 2.725 1.00 41.51 ? 40 ALA H C 1 ATOM 585 O O . ALA A 1 40 ? 24.166 -50.232 3.932 1.00 45.12 ? 40 ALA H O 1 ATOM 586 C CB . ALA A 1 40 ? 21.929 -50.730 1.656 1.00 35.06 ? 40 ALA H CB 1 ATOM 587 H H . ALA A 1 40 ? 22.895 -52.743 2.617 1.00 38.78 ? 40 ALA H H 1 ATOM 588 H HA . ALA A 1 40 ? 23.829 -50.958 0.918 1.00 43.39 ? 40 ALA H HA 1 ATOM 589 H HB1 . ALA A 1 40 ? 21.820 -49.842 1.305 1.00 42.07 ? 40 ALA H HB1 1 ATOM 590 H HB2 . ALA A 1 40 ? 21.541 -51.369 1.054 1.00 42.07 ? 40 ALA H HB2 1 ATOM 591 H HB3 . ALA A 1 40 ? 21.511 -50.795 2.518 1.00 42.07 ? 40 ALA H HB3 1 ATOM 592 N N . PRO A 1 41 ? 24.550 -48.891 2.157 1.00 40.32 ? 41 PRO H N 1 ATOM 593 C CA . PRO A 1 41 ? 25.216 -47.827 2.917 1.00 41.43 ? 41 PRO H CA 1 ATOM 594 C C . PRO A 1 41 ? 24.514 -47.486 4.232 1.00 41.17 ? 41 PRO H C 1 ATOM 595 O O . PRO A 1 41 ? 23.395 -46.971 4.228 1.00 41.80 ? 41 PRO H O 1 ATOM 596 C CB . PRO A 1 41 ? 25.157 -46.638 1.959 1.00 41.54 ? 41 PRO H CB 1 ATOM 597 C CG . PRO A 1 41 ? 25.206 -47.260 0.608 1.00 39.76 ? 41 PRO H CG 1 ATOM 598 C CD . PRO A 1 41 ? 24.475 -48.572 0.719 1.00 38.83 ? 41 PRO H CD 1 ATOM 599 H HA . PRO A 1 41 ? 26.151 -48.061 3.094 1.00 49.72 ? 41 PRO H HA 1 ATOM 600 H HB2 . PRO A 1 41 ? 24.328 -46.152 2.087 1.00 49.84 ? 41 PRO H HB2 1 ATOM 601 H HB3 . PRO A 1 41 ? 25.924 -46.061 2.102 1.00 49.84 ? 41 PRO H HB3 1 ATOM 602 H HG2 . PRO A 1 41 ? 24.764 -46.679 -0.031 1.00 47.71 ? 41 PRO H HG2 1 ATOM 603 H HG3 . PRO A 1 41 ? 26.130 -47.406 0.353 1.00 47.71 ? 41 PRO H HG3 1 ATOM 604 H HD2 . PRO A 1 41 ? 23.551 -48.468 0.444 1.00 46.60 ? 41 PRO H HD2 1 ATOM 605 H HD3 . PRO A 1 41 ? 24.926 -49.255 0.198 1.00 46.60 ? 41 PRO H HD3 1 ATOM 606 N N . GLY A 1 42 ? 25.176 -47.781 5.345 1.00 40.45 ? 42 GLY H N 1 ATOM 607 C CA . GLY A 1 42 ? 24.656 -47.447 6.658 1.00 40.75 ? 42 GLY H CA 1 ATOM 608 C C . GLY A 1 42 ? 23.531 -48.349 7.137 1.00 40.85 ? 42 GLY H C 1 ATOM 609 O O . GLY A 1 42 ? 22.952 -48.110 8.195 1.00 42.53 ? 42 GLY H O 1 ATOM 610 H H . GLY A 1 42 ? 25.938 -48.180 5.363 1.00 48.54 ? 42 GLY H H 1 ATOM 611 H HA2 . GLY A 1 42 ? 25.377 -47.497 7.306 1.00 48.90 ? 42 GLY H HA2 1 ATOM 612 H HA3 . GLY A 1 42 ? 24.325 -46.535 6.645 1.00 48.90 ? 42 GLY H HA3 1 ATOM 613 N N . LYS A 1 43 ? 23.219 -49.387 6.366 1.00 38.75 ? 43 LYS H N 1 ATOM 614 C CA . LYS A 1 43 ? 22.152 -50.312 6.733 1.00 40.36 ? 43 LYS H CA 1 ATOM 615 C C . LYS A 1 43 ? 22.741 -51.652 7.177 1.00 37.25 ? 43 LYS H C 1 ATOM 616 O O . LYS A 1 43 ? 23.959 -51.801 7.277 1.00 35.43 ? 43 LYS H O 1 ATOM 617 C CB . LYS A 1 43 ? 21.191 -50.511 5.560 1.00 45.02 ? 43 LYS H CB 1 ATOM 618 C CG . LYS A 1 43 ? 20.705 -49.214 4.922 1.00 52.53 ? 43 LYS H CG 1 ATOM 619 C CD . LYS A 1 43 ? 19.937 -48.344 5.905 1.00 61.33 ? 43 LYS H CD 1 ATOM 620 C CE . LYS A 1 43 ? 19.492 -47.039 5.256 1.00 67.96 ? 43 LYS H CE 1 ATOM 621 N NZ . LYS A 1 43 ? 18.773 -46.143 6.207 1.00 74.29 ? 43 LYS H NZ 1 ATOM 622 H H . LYS A 1 43 ? 23.611 -49.577 5.625 1.00 46.50 ? 43 LYS H H 1 ATOM 623 H HA . LYS A 1 43 ? 21.645 -49.938 7.483 1.00 48.43 ? 43 LYS H HA 1 ATOM 624 H HB2 . LYS A 1 43 ? 21.641 -51.028 4.873 1.00 54.02 ? 43 LYS H HB2 1 ATOM 625 H HB3 . LYS A 1 43 ? 20.411 -50.995 5.875 1.00 54.02 ? 43 LYS H HB3 1 ATOM 626 H HG2 . LYS A 1 43 ? 21.471 -48.709 4.606 1.00 63.03 ? 43 LYS H HG2 1 ATOM 627 H HG3 . LYS A 1 43 ? 20.116 -49.425 4.181 1.00 63.03 ? 43 LYS H HG3 1 ATOM 628 H HD2 . LYS A 1 43 ? 19.147 -48.820 6.206 1.00 73.60 ? 43 LYS H HD2 1 ATOM 629 H HD3 . LYS A 1 43 ? 20.508 -48.131 6.659 1.00 73.60 ? 43 LYS H HD3 1 ATOM 630 H HE2 . LYS A 1 43 ? 20.273 -46.566 4.930 1.00 81.55 ? 43 LYS H HE2 1 ATOM 631 H HE3 . LYS A 1 43 ? 18.893 -47.240 4.520 1.00 81.55 ? 43 LYS H HE3 1 ATOM 632 H HZ1 . LYS A 1 43 ? 18.529 -45.393 5.793 1.00 89.14 ? 43 LYS H HZ1 1 ATOM 633 H HZ2 . LYS A 1 43 ? 18.045 -46.551 6.518 1.00 89.14 ? 43 LYS H HZ2 1 ATOM 634 H HZ3 . LYS A 1 43 ? 19.303 -45.937 6.891 1.00 89.14 ? 43 LYS H HZ3 1 ATOM 635 N N . GLY A 1 44 ? 21.876 -52.626 7.440 1.00 36.45 ? 44 GLY H N 1 ATOM 636 C CA . GLY A 1 44 ? 22.315 -53.903 7.974 1.00 36.07 ? 44 GLY H CA 1 ATOM 637 C C . GLY A 1 44 ? 22.608 -54.951 6.917 1.00 33.74 ? 44 GLY H C 1 ATOM 638 O O . GLY A 1 44 ? 22.407 -54.729 5.724 1.00 30.77 ? 44 GLY H O 1 ATOM 639 H H . GLY A 1 44 ? 21.027 -52.569 7.316 1.00 43.74 ? 44 GLY H H 1 ATOM 640 H HA2 . GLY A 1 44 ? 23.121 -53.768 8.496 1.00 43.28 ? 44 GLY H HA2 1 ATOM 641 H HA3 . GLY A 1 44 ? 21.629 -54.253 8.563 1.00 43.28 ? 44 GLY H HA3 1 ATOM 642 N N . LEU A 1 45 ? 23.091 -56.104 7.368 1.00 32.91 ? 45 LEU H N 1 ATOM 643 C CA . LEU A 1 45 ? 23.368 -57.223 6.480 1.00 33.31 ? 45 LEU H CA 1 ATOM 644 C C . LEU A 1 45 ? 22.060 -57.815 5.978 1.00 31.66 ? 45 LEU H C 1 ATOM 645 O O . LEU A 1 45 ? 21.091 -57.930 6.727 1.00 32.04 ? 45 LEU H O 1 ATOM 646 C CB . LEU A 1 45 ? 24.177 -58.295 7.212 1.00 33.86 ? 45 LEU H CB 1 ATOM 647 C CG . LEU A 1 45 ? 25.566 -57.873 7.697 1.00 32.58 ? 45 LEU H CG 1 ATOM 648 C CD1 . LEU A 1 45 ? 26.207 -58.986 8.506 1.00 32.25 ? 45 LEU H CD1 1 ATOM 649 C CD2 . LEU A 1 45 ? 26.451 -57.495 6.519 1.00 28.83 ? 45 LEU H CD2 1 ATOM 650 H H . LEU A 1 45 ? 23.269 -56.263 8.194 1.00 39.49 ? 45 LEU H H 1 ATOM 651 H HA . LEU A 1 45 ? 23.887 -56.911 5.709 1.00 39.97 ? 45 LEU H HA 1 ATOM 652 H HB2 . LEU A 1 45 ? 23.673 -58.579 7.991 1.00 40.63 ? 45 LEU H HB2 1 ATOM 653 H HB3 . LEU A 1 45 ? 24.296 -59.049 6.614 1.00 40.63 ? 45 LEU H HB3 1 ATOM 654 H HG . LEU A 1 45 ? 25.479 -57.096 8.270 1.00 39.10 ? 45 LEU H HG 1 ATOM 655 H HD11 . LEU A 1 45 ? 27.076 -58.699 8.798 1.00 38.70 ? 45 LEU H HD11 1 ATOM 656 H HD12 . LEU A 1 45 ? 25.653 -59.179 9.266 1.00 38.70 ? 45 LEU H HD12 1 ATOM 657 H HD13 . LEU A 1 45 ? 26.289 -59.767 7.953 1.00 38.70 ? 45 LEU H HD13 1 ATOM 658 H HD21 . LEU A 1 45 ? 27.315 -57.235 6.849 1.00 34.60 ? 45 LEU H HD21 1 ATOM 659 H HD22 . LEU A 1 45 ? 26.538 -58.254 5.937 1.00 34.60 ? 45 LEU H HD22 1 ATOM 660 H HD23 . LEU A 1 45 ? 26.047 -56.764 6.047 1.00 34.60 ? 45 LEU H HD23 1 ATOM 661 N N . GLU A 1 46 ? 22.039 -58.191 4.706 1.00 31.64 ? 46 GLU H N 1 ATOM 662 C CA . GLU A 1 46 ? 20.847 -58.761 4.097 1.00 33.80 ? 46 GLU H CA 1 ATOM 663 C C . GLU A 1 46 ? 21.243 -59.920 3.193 1.00 27.26 ? 46 GLU H C 1 ATOM 664 O O . GLU A 1 46 ? 21.993 -59.743 2.233 1.00 23.62 ? 46 GLU H O 1 ATOM 665 C CB . GLU A 1 46 ? 20.101 -57.692 3.298 1.00 45.48 ? 46 GLU H CB 1 ATOM 666 C CG . GLU A 1 46 ? 18.776 -58.152 2.708 1.00 61.25 ? 46 GLU H CG 1 ATOM 667 C CD . GLU A 1 46 ? 18.110 -57.077 1.867 1.00 74.61 ? 46 GLU H CD 1 ATOM 668 O OE1 . GLU A 1 46 ? 18.753 -56.038 1.606 1.00 78.63 ? 46 GLU H OE1 1 ATOM 669 O OE2 . GLU A 1 46 ? 16.943 -57.270 1.468 1.00 79.57 ? 46 GLU H OE2 1 ATOM 670 H H . GLU A 1 46 ? 22.708 -58.126 4.170 1.00 37.96 ? 46 GLU H H 1 ATOM 671 H HA . GLU A 1 46 ? 20.251 -59.101 4.797 1.00 40.56 ? 46 GLU H HA 1 ATOM 672 H HB2 . GLU A 1 46 ? 19.917 -56.941 3.883 1.00 54.58 ? 46 GLU H HB2 1 ATOM 673 H HB3 . GLU A 1 46 ? 20.666 -57.404 2.564 1.00 54.58 ? 46 GLU H HB3 1 ATOM 674 H HG2 . GLU A 1 46 ? 18.933 -58.923 2.141 1.00 73.50 ? 46 GLU H HG2 1 ATOM 675 H HG3 . GLU A 1 46 ? 18.172 -58.387 3.429 1.00 73.50 ? 46 GLU H HG3 1 ATOM 676 N N . TRP A 1 47 ? 20.744 -61.109 3.516 1.00 30.67 ? 47 TRP H N 1 ATOM 677 C CA . TRP A 1 47 ? 21.059 -62.308 2.750 1.00 27.67 ? 47 TRP H CA 1 ATOM 678 C C . TRP A 1 47 ? 20.475 -62.218 1.350 1.00 26.09 ? 47 TRP H C 1 ATOM 679 O O . TRP A 1 47 ? 19.332 -61.798 1.172 1.00 25.93 ? 47 TRP H O 1 ATOM 680 C CB . TRP A 1 47 ? 20.517 -63.548 3.457 1.00 29.85 ? 47 TRP H CB 1 ATOM 681 C CG . TRP A 1 47 ? 20.754 -64.813 2.699 1.00 29.79 ? 47 TRP H CG 1 ATOM 682 C CD1 . TRP A 1 47 ? 21.913 -65.530 2.647 1.00 26.38 ? 47 TRP H CD1 1 ATOM 683 C CD2 . TRP A 1 47 ? 19.810 -65.518 1.882 1.00 29.53 ? 47 TRP H CD2 1 ATOM 684 N NE1 . TRP A 1 47 ? 21.749 -66.635 1.851 1.00 26.48 ? 47 TRP H NE1 1 ATOM 685 C CE2 . TRP A 1 47 ? 20.466 -66.651 1.368 1.00 30.32 ? 47 TRP H CE2 1 ATOM 686 C CE3 . TRP A 1 47 ? 18.473 -65.300 1.536 1.00 29.47 ? 47 TRP H CE3 1 ATOM 687 C CZ2 . TRP A 1 47 ? 19.837 -67.564 0.527 1.00 30.96 ? 47 TRP H CZ2 1 ATOM 688 C CZ3 . TRP A 1 47 ? 17.847 -66.210 0.701 1.00 29.73 ? 47 TRP H CZ3 1 ATOM 689 C CH2 . TRP A 1 47 ? 18.529 -67.327 0.207 1.00 29.89 ? 47 TRP H CH2 1 ATOM 690 H H . TRP A 1 47 ? 20.216 -61.248 4.180 1.00 36.80 ? 47 TRP H H 1 ATOM 691 H HA . TRP A 1 47 ? 22.032 -62.398 2.673 1.00 33.21 ? 47 TRP H HA 1 ATOM 692 H HB2 . TRP A 1 47 ? 20.951 -63.632 4.321 1.00 35.82 ? 47 TRP H HB2 1 ATOM 693 H HB3 . TRP A 1 47 ? 19.560 -63.448 3.578 1.00 35.82 ? 47 TRP H HB3 1 ATOM 694 H HD1 . TRP A 1 47 ? 22.699 -65.303 3.088 1.00 31.65 ? 47 TRP H HD1 1 ATOM 695 H HE1 . TRP A 1 47 ? 22.354 -67.223 1.681 1.00 31.78 ? 47 TRP H HE1 1 ATOM 696 H HE3 . TRP A 1 47 ? 18.013 -64.560 1.861 1.00 35.37 ? 47 TRP H HE3 1 ATOM 697 H HZ2 . TRP A 1 47 ? 20.287 -68.307 0.198 1.00 37.15 ? 47 TRP H HZ2 1 ATOM 698 H HZ3 . TRP A 1 47 ? 16.958 -66.075 0.463 1.00 35.68 ? 47 TRP H HZ3 1 ATOM 699 H HH2 . TRP A 1 47 ? 18.084 -67.921 -0.354 1.00 35.87 ? 47 TRP H HH2 1 ATOM 700 N N . VAL A 1 48 ? 21.263 -62.627 0.360 1.00 24.20 ? 48 VAL H N 1 ATOM 701 C CA . VAL A 1 48 ? 20.867 -62.510 -1.039 1.00 23.57 ? 48 VAL H CA 1 ATOM 702 C C . VAL A 1 48 ? 20.639 -63.869 -1.687 1.00 27.70 ? 48 VAL H C 1 ATOM 703 O O . VAL A 1 48 ? 19.567 -64.129 -2.232 1.00 24.89 ? 48 VAL H O 1 ATOM 704 C CB . VAL A 1 48 ? 21.925 -61.740 -1.852 1.00 23.27 ? 48 VAL H CB 1 ATOM 705 C CG1 . VAL A 1 48 ? 21.672 -61.885 -3.345 1.00 22.16 ? 48 VAL H CG1 1 ATOM 706 C CG2 . VAL A 1 48 ? 21.927 -60.281 -1.445 1.00 23.47 ? 48 VAL H CG2 1 ATOM 707 H H . VAL A 1 48 ? 22.040 -62.979 0.474 1.00 29.04 ? 48 VAL H H 1 ATOM 708 H HA . VAL A 1 48 ? 20.026 -62.008 -1.089 1.00 28.29 ? 48 VAL H HA 1 ATOM 709 H HB . VAL A 1 48 ? 22.811 -62.111 -1.656 1.00 27.92 ? 48 VAL H HB 1 ATOM 710 H HG11 . VAL A 1 48 ? 22.345 -61.396 -3.825 1.00 26.59 ? 48 VAL H HG11 1 ATOM 711 H HG12 . VAL A 1 48 ? 21.713 -62.815 -3.579 1.00 26.59 ? 48 VAL H HG12 1 ATOM 712 H HG13 . VAL A 1 48 ? 20.803 -61.533 -3.550 1.00 26.59 ? 48 VAL H HG13 1 ATOM 713 H HG21 . VAL A 1 48 ? 22.590 -59.815 -1.959 1.00 28.17 ? 48 VAL H HG21 1 ATOM 714 H HG22 . VAL A 1 48 ? 21.059 -59.909 -1.615 1.00 28.17 ? 48 VAL H HG22 1 ATOM 715 H HG23 . VAL A 1 48 ? 22.133 -60.218 -0.510 1.00 28.17 ? 48 VAL H HG23 1 ATOM 716 N N . ALA A 1 49 ? 21.645 -64.736 -1.630 1.00 29.86 ? 49 ALA H N 1 ATOM 717 C CA . ALA A 1 49 ? 21.542 -66.027 -2.296 1.00 26.23 ? 49 ALA H CA 1 ATOM 718 C C . ALA A 1 49 ? 22.470 -67.082 -1.706 1.00 27.14 ? 49 ALA H C 1 ATOM 719 O O . ALA A 1 49 ? 23.477 -66.764 -1.074 1.00 23.99 ? 49 ALA H O 1 ATOM 720 C CB . ALA A 1 49 ? 21.814 -65.865 -3.785 1.00 23.17 ? 49 ALA H CB 1 ATOM 721 H H . ALA A 1 49 ? 22.388 -64.602 -1.219 1.00 35.84 ? 49 ALA H H 1 ATOM 722 H HA . ALA A 1 49 ? 20.623 -66.355 -2.198 1.00 31.47 ? 49 ALA H HA 1 ATOM 723 H HB1 . ALA A 1 49 ? 21.743 -66.723 -4.211 1.00 27.81 ? 49 ALA H HB1 1 ATOM 724 H HB2 . ALA A 1 49 ? 21.167 -65.260 -4.157 1.00 27.81 ? 49 ALA H HB2 1 ATOM 725 H HB3 . ALA A 1 49 ? 22.699 -65.512 -3.904 1.00 27.81 ? 49 ALA H HB3 1 ATOM 726 N N . LEU A 1 50 ? 22.113 -68.343 -1.930 1.00 29.20 ? 50 LEU H N 1 ATOM 727 C CA . LEU A 1 50 ? 22.919 -69.478 -1.504 1.00 28.08 ? 50 LEU H CA 1 ATOM 728 C C . LEU A 1 50 ? 22.954 -70.516 -2.616 1.00 30.70 ? 50 LEU H C 1 ATOM 729 O O . LEU A 1 50 ? 21.943 -70.760 -3.276 1.00 31.29 ? 50 LEU H O 1 ATOM 730 C CB . LEU A 1 50 ? 22.329 -70.101 -0.237 1.00 27.87 ? 50 LEU H CB 1 ATOM 731 C CG . LEU A 1 50 ? 22.764 -71.532 0.100 1.00 29.11 ? 50 LEU H CG 1 ATOM 732 C CD1 . LEU A 1 50 ? 24.237 -71.599 0.471 1.00 28.16 ? 50 LEU H CD1 1 ATOM 733 C CD2 . LEU A 1 50 ? 21.902 -72.085 1.223 1.00 29.89 ? 50 LEU H CD2 1 ATOM 734 H H . LEU A 1 50 ? 21.391 -68.570 -2.338 1.00 35.04 ? 50 LEU H H 1 ATOM 735 H HA . LEU A 1 50 ? 23.835 -69.184 -1.315 1.00 33.69 ? 50 LEU H HA 1 ATOM 736 H HB2 . LEU A 1 50 ? 22.574 -69.543 0.517 1.00 33.44 ? 50 LEU H HB2 1 ATOM 737 H HB3 . LEU A 1 50 ? 21.363 -70.110 -0.327 1.00 33.44 ? 50 LEU H HB3 1 ATOM 738 H HG . LEU A 1 50 ? 22.629 -72.091 -0.681 1.00 34.93 ? 50 LEU H HG 1 ATOM 739 H HD11 . LEU A 1 50 ? 24.466 -72.509 0.674 1.00 33.79 ? 50 LEU H HD11 1 ATOM 740 H HD12 . LEU A 1 50 ? 24.760 -71.287 -0.271 1.00 33.79 ? 50 LEU H HD12 1 ATOM 741 H HD13 . LEU A 1 50 ? 24.391 -71.043 1.238 1.00 33.79 ? 50 LEU H HD13 1 ATOM 742 H HD21 . LEU A 1 50 ? 22.187 -72.980 1.422 1.00 35.87 ? 50 LEU H HD21 1 ATOM 743 H HD22 . LEU A 1 50 ? 22.005 -71.528 1.998 1.00 35.87 ? 50 LEU H HD22 1 ATOM 744 H HD23 . LEU A 1 50 ? 20.985 -72.088 0.941 1.00 35.87 ? 50 LEU H HD23 1 ATOM 745 N N . ILE A 1 51 ? 24.117 -71.125 -2.826 1.00 29.55 ? 51 ILE H N 1 ATOM 746 C CA . ILE A 1 51 ? 24.245 -72.194 -3.809 1.00 30.68 ? 51 ILE H CA 1 ATOM 747 C C . ILE A 1 51 ? 24.991 -73.385 -3.210 1.00 36.02 ? 51 ILE H C 1 ATOM 748 O O . ILE A 1 51 ? 26.005 -73.217 -2.531 1.00 39.04 ? 51 ILE H O 1 ATOM 749 C CB . ILE A 1 51 ? 24.963 -71.704 -5.086 1.00 31.30 ? 51 ILE H CB 1 ATOM 750 C CG1 . ILE A 1 51 ? 24.904 -72.781 -6.172 1.00 33.38 ? 51 ILE H CG1 1 ATOM 751 C CG2 . ILE A 1 51 ? 26.405 -71.322 -4.780 1.00 28.86 ? 51 ILE H CG2 1 ATOM 752 C CD1 . ILE A 1 51 ? 25.415 -72.322 -7.523 1.00 36.57 ? 51 ILE H CD1 1 ATOM 753 H H . ILE A 1 51 ? 24.847 -70.938 -2.411 1.00 35.46 ? 51 ILE H H 1 ATOM 754 H HA . ILE A 1 51 ? 23.350 -72.498 -4.066 1.00 36.81 ? 51 ILE H HA 1 ATOM 755 H HB . ILE A 1 51 ? 24.501 -70.916 -5.412 1.00 37.56 ? 51 ILE H HB 1 ATOM 756 H HG12 . ILE A 1 51 ? 25.445 -73.536 -5.892 1.00 40.05 ? 51 ILE H HG12 1 ATOM 757 H HG13 . ILE A 1 51 ? 23.982 -73.061 -6.283 1.00 40.05 ? 51 ILE H HG13 1 ATOM 758 H HG21 . ILE A 1 51 ? 26.826 -71.022 -5.589 1.00 34.64 ? 51 ILE H HG21 1 ATOM 759 H HG22 . ILE A 1 51 ? 26.409 -70.618 -4.127 1.00 34.64 ? 51 ILE H HG22 1 ATOM 760 H HG23 . ILE A 1 51 ? 26.865 -72.091 -4.436 1.00 34.64 ? 51 ILE H HG23 1 ATOM 761 H HD11 . ILE A 1 51 ? 25.345 -73.049 -8.146 1.00 43.88 ? 51 ILE H HD11 1 ATOM 762 H HD12 . ILE A 1 51 ? 24.882 -71.581 -7.823 1.00 43.88 ? 51 ILE H HD12 1 ATOM 763 H HD13 . ILE A 1 51 ? 26.332 -72.052 -7.435 1.00 43.88 ? 51 ILE H HD13 1 ATOM 764 N N . SER A 1 52 ? 24.475 -74.586 -3.457 1.00 37.26 ? 52 SER H N 1 ATOM 765 C CA . SER A 1 52 ? 25.046 -75.806 -2.894 1.00 37.06 ? 52 SER H CA 1 ATOM 766 C C . SER A 1 52 ? 26.419 -76.112 -3.479 1.00 39.18 ? 52 SER H C 1 ATOM 767 O O . SER A 1 52 ? 26.784 -75.601 -4.538 1.00 34.63 ? 52 SER H O 1 ATOM 768 C CB . SER A 1 52 ? 24.110 -76.993 -3.138 1.00 34.71 ? 52 SER H CB 1 ATOM 769 O OG . SER A 1 52 ? 23.834 -77.148 -4.520 1.00 37.72 ? 52 SER H OG 1 ATOM 770 H H . SER A 1 52 ? 23.787 -74.721 -3.954 1.00 44.71 ? 52 SER H H 1 ATOM 771 H HA . SER A 1 52 ? 25.147 -75.694 -1.926 1.00 44.48 ? 52 SER H HA 1 ATOM 772 H HB2 . SER A 1 52 ? 24.534 -77.801 -2.808 1.00 41.65 ? 52 SER H HB2 1 ATOM 773 H HB3 . SER A 1 52 ? 23.277 -76.840 -2.665 1.00 41.65 ? 52 SER H HB3 1 ATOM 774 H HG . SER A 1 52 ? 23.333 -77.787 -4.636 1.00 45.26 ? 52 SER H HG 1 ATOM 775 N N . ASP A 1 53 A 27.166 -76.963 -2.782 1.00 44.46 ? 52 ASP H N 1 ATOM 776 C CA . ASP A 1 53 A 28.531 -77.302 -3.170 1.00 46.38 ? 52 ASP H CA 1 ATOM 777 C C . ASP A 1 53 A 28.665 -77.628 -4.659 1.00 44.86 ? 52 ASP H C 1 ATOM 778 O O . ASP A 1 53 A 29.573 -77.131 -5.326 1.00 45.20 ? 52 ASP H O 1 ATOM 779 C CB . ASP A 1 53 A 29.043 -78.477 -2.328 1.00 48.51 ? 52 ASP H CB 1 ATOM 780 C CG . ASP A 1 53 A 28.072 -79.644 -2.293 1.00 52.44 ? 52 ASP H CG 1 ATOM 781 O OD1 . ASP A 1 53 A 27.247 -79.768 -3.222 1.00 51.69 ? 52 ASP H OD1 1 ATOM 782 O OD2 . ASP A 1 53 A 28.136 -80.444 -1.334 1.00 56.67 ? 52 ASP H OD2 1 ATOM 783 H H . ASP A 1 53 A 26.900 -77.364 -2.069 1.00 53.35 ? 52 ASP H H 1 ATOM 784 H HA . ASP A 1 53 A 29.107 -76.532 -2.984 1.00 55.66 ? 52 ASP H HA 1 ATOM 785 H HB2 . ASP A 1 53 A 29.879 -78.794 -2.703 1.00 58.21 ? 52 ASP H HB2 1 ATOM 786 H HB3 . ASP A 1 53 A 29.182 -78.175 -1.416 1.00 58.21 ? 52 ASP H HB3 1 ATOM 787 N N . ASP A 1 54 ? 27.758 -78.453 -5.176 1.00 43.90 ? 53 ASP H N 1 ATOM 788 C CA . ASP A 1 54 ? 27.851 -78.920 -6.559 1.00 51.76 ? 53 ASP H CA 1 ATOM 789 C C . ASP A 1 54 ? 27.136 -77.990 -7.540 1.00 54.54 ? 53 ASP H C 1 ATOM 790 O O . ASP A 1 54 ? 27.164 -78.213 -8.750 1.00 57.00 ? 53 ASP H O 1 ATOM 791 C CB . ASP A 1 54 ? 27.299 -80.344 -6.687 1.00 57.80 ? 53 ASP H CB 1 ATOM 792 C CG . ASP A 1 54 ? 25.839 -80.449 -6.283 1.00 64.06 ? 53 ASP H CG 1 ATOM 793 O OD1 . ASP A 1 54 ? 25.140 -79.415 -6.282 1.00 61.68 ? 53 ASP H OD1 1 ATOM 794 O OD2 . ASP A 1 54 ? 25.389 -81.571 -5.972 1.00 71.84 ? 53 ASP H OD2 1 ATOM 795 H H . ASP A 1 54 ? 27.078 -78.758 -4.747 1.00 52.67 ? 53 ASP H H 1 ATOM 796 H HA . ASP A 1 54 ? 28.796 -78.946 -6.815 1.00 62.11 ? 53 ASP H HA 1 ATOM 797 H HB2 . ASP A 1 54 ? 27.375 -80.631 -7.611 1.00 69.36 ? 53 ASP H HB2 1 ATOM 798 H HB3 . ASP A 1 54 ? 27.811 -80.935 -6.113 1.00 69.36 ? 53 ASP H HB3 1 ATOM 799 N N . GLY A 1 55 ? 26.491 -76.954 -7.013 1.00 52.58 ? 54 GLY H N 1 ATOM 800 C CA . GLY A 1 55 ? 25.858 -75.945 -7.844 1.00 49.83 ? 54 GLY H CA 1 ATOM 801 C C . GLY A 1 55 ? 24.557 -76.388 -8.488 1.00 52.73 ? 54 GLY H C 1 ATOM 802 O O . GLY A 1 55 ? 24.122 -75.799 -9.477 1.00 56.52 ? 54 GLY H O 1 ATOM 803 H H . GLY A 1 55 ? 26.407 -76.814 -6.169 1.00 63.09 ? 54 GLY H H 1 ATOM 804 H HA2 . GLY A 1 55 ? 25.674 -75.160 -7.305 1.00 59.79 ? 54 GLY H HA2 1 ATOM 805 H HA3 . GLY A 1 55 ? 26.471 -75.688 -8.551 1.00 59.79 ? 54 GLY H HA3 1 ATOM 806 N N . MET A 1 56 ? 23.927 -77.415 -7.927 1.00 53.28 ? 55 MET H N 1 ATOM 807 C CA . MET A 1 56 ? 22.683 -77.938 -8.483 1.00 54.63 ? 55 MET H CA 1 ATOM 808 C C . MET A 1 56 ? 21.451 -77.354 -7.791 1.00 51.31 ? 55 MET H C 1 ATOM 809 O O . MET A 1 56 ? 20.346 -77.409 -8.332 1.00 50.47 ? 55 MET H O 1 ATOM 810 C CB . MET A 1 56 ? 22.659 -79.467 -8.391 1.00 59.51 ? 55 MET H CB 1 ATOM 811 C CG . MET A 1 56 ? 23.666 -80.162 -9.299 1.00 64.21 ? 55 MET H CG 1 ATOM 812 S SD . MET A 1 56 ? 23.576 -79.605 -11.015 1.00 93.24 ? 55 MET H SD 1 ATOM 813 C CE . MET A 1 56 ? 21.864 -79.959 -11.406 1.00 126.70 ? 55 MET H CE 1 ATOM 814 H H . MET A 1 56 ? 24.199 -77.827 -7.223 1.00 63.94 ? 55 MET H H 1 ATOM 815 H HA . MET A 1 56 ? 22.645 -77.701 -9.433 1.00 65.56 ? 55 MET H HA 1 ATOM 816 H HB2 . MET A 1 56 ? 22.855 -79.727 -7.478 1.00 71.41 ? 55 MET H HB2 1 ATOM 817 H HB3 . MET A 1 56 ? 21.774 -79.779 -8.638 1.00 71.41 ? 55 MET H HB3 1 ATOM 818 H HG2 . MET A 1 56 ? 24.561 -79.980 -8.973 1.00 77.05 ? 55 MET H HG2 1 ATOM 819 H HG3 . MET A 1 56 ? 23.496 -81.117 -9.285 1.00 77.05 ? 55 MET H HG3 1 ATOM 820 H HE1 . MET A 1 56 ? 21.691 -79.701 -12.314 1.00 152.04 ? 55 MET H HE1 1 ATOM 821 H HE2 . MET A 1 56 ? 21.708 -80.900 -11.297 1.00 152.04 ? 55 MET H HE2 1 ATOM 822 H HE3 . MET A 1 56 ? 21.299 -79.462 -10.810 1.00 152.04 ? 55 MET H HE3 1 ATOM 823 N N . ARG A 1 57 ? 21.644 -76.794 -6.600 1.00 49.09 ? 56 ARG H N 1 ATOM 824 C CA . ARG A 1 57 ? 20.548 -76.188 -5.850 1.00 49.71 ? 56 ARG H CA 1 ATOM 825 C C . ARG A 1 57 ? 20.849 -74.725 -5.545 1.00 42.55 ? 56 ARG H C 1 ATOM 826 O O . ARG A 1 57 ? 21.881 -74.404 -4.958 1.00 37.27 ? 56 ARG H O 1 ATOM 827 C CB . ARG A 1 57 ? 20.305 -76.951 -4.548 1.00 59.21 ? 56 ARG H CB 1 ATOM 828 C CG . ARG A 1 57 ? 19.675 -78.318 -4.747 1.00 71.86 ? 56 ARG H CG 1 ATOM 829 C CD . ARG A 1 57 ? 19.812 -79.185 -3.505 1.00 82.23 ? 56 ARG H CD 1 ATOM 830 N NE . ARG A 1 57 ? 21.211 -79.475 -3.198 1.00 89.64 ? 56 ARG H NE 1 ATOM 831 C CZ . ARG A 1 57 ? 21.967 -80.334 -3.876 1.00 95.07 ? 56 ARG H CZ 1 ATOM 832 N NH1 . ARG A 1 57 ? 21.470 -80.996 -4.913 1.00 98.35 ? 56 ARG H NH1 1 ATOM 833 N NH2 . ARG A 1 57 ? 23.229 -80.529 -3.520 1.00 95.18 ? 56 ARG H NH2 1 ATOM 834 H H . ARG A 1 57 ? 22.405 -76.752 -6.202 1.00 58.91 ? 56 ARG H H 1 ATOM 835 H HA . ARG A 1 57 ? 19.729 -76.227 -6.386 1.00 59.65 ? 56 ARG H HA 1 ATOM 836 H HB2 . ARG A 1 57 ? 21.155 -77.080 -4.098 1.00 71.06 ? 56 ARG H HB2 1 ATOM 837 H HB3 . ARG A 1 57 ? 19.711 -76.430 -3.986 1.00 71.06 ? 56 ARG H HB3 1 ATOM 838 H HG2 . ARG A 1 57 ? 18.730 -78.209 -4.938 1.00 86.23 ? 56 ARG H HG2 1 ATOM 839 H HG3 . ARG A 1 57 ? 20.116 -78.770 -5.483 1.00 86.23 ? 56 ARG H HG3 1 ATOM 840 H HD2 . ARG A 1 57 ? 19.426 -78.720 -2.747 1.00 98.67 ? 56 ARG H HD2 1 ATOM 841 H HD3 . ARG A 1 57 ? 19.353 -80.027 -3.651 1.00 98.67 ? 56 ARG H HD3 1 ATOM 842 H HE . ARG A 1 57 ? 21.570 -79.062 -2.535 1.00 107.57 ? 56 ARG H HE 1 ATOM 843 H HH11 . ARG A 1 57 ? 20.652 -80.874 -5.150 1.00 118.02 ? 56 ARG H HH11 1 ATOM 844 H HH12 . ARG A 1 57 ? 21.965 -81.550 -5.348 1.00 118.02 ? 56 ARG H HH12 1 ATOM 845 H HH21 . ARG A 1 57 ? 23.558 -80.103 -2.850 1.00 114.22 ? 56 ARG H HH21 1 ATOM 846 H HH22 . ARG A 1 57 ? 23.719 -81.084 -3.959 1.00 114.22 ? 56 ARG H HH22 1 ATOM 847 N N . LYS A 1 58 ? 19.940 -73.844 -5.946 1.00 42.53 ? 57 LYS H N 1 ATOM 848 C CA . LYS A 1 58 ? 20.118 -72.412 -5.745 1.00 40.05 ? 57 LYS H CA 1 ATOM 849 C C . LYS A 1 58 ? 18.965 -71.843 -4.928 1.00 37.98 ? 57 LYS H C 1 ATOM 850 O O . LYS A 1 58 ? 17.845 -72.349 -4.984 1.00 38.50 ? 57 LYS H O 1 ATOM 851 C CB . LYS A 1 58 ? 20.198 -71.692 -7.095 1.00 40.46 ? 57 LYS H CB 1 ATOM 852 C CG . LYS A 1 58 ? 21.256 -72.250 -8.032 1.00 44.71 ? 57 LYS H CG 1 ATOM 853 C CD . LYS A 1 58 ? 21.301 -71.487 -9.346 1.00 45.73 ? 57 LYS H CD 1 ATOM 854 C CE . LYS A 1 58 ? 22.387 -72.032 -10.261 1.00 47.54 ? 57 LYS H CE 1 ATOM 855 N NZ . LYS A 1 58 ? 22.489 -71.270 -11.536 1.00 49.32 ? 57 LYS H NZ 1 ATOM 856 H H . LYS A 1 58 ? 19.205 -74.052 -6.341 1.00 51.03 ? 57 LYS H H 1 ATOM 857 H HA . LYS A 1 58 ? 20.953 -72.252 -5.257 1.00 48.06 ? 57 LYS H HA 1 ATOM 858 H HB2 . LYS A 1 58 ? 19.340 -71.768 -7.540 1.00 48.56 ? 57 LYS H HB2 1 ATOM 859 H HB3 . LYS A 1 58 ? 20.406 -70.758 -6.938 1.00 48.56 ? 57 LYS H HB3 1 ATOM 860 H HG2 . LYS A 1 58 ? 22.127 -72.179 -7.610 1.00 53.65 ? 57 LYS H HG2 1 ATOM 861 H HG3 . LYS A 1 58 ? 21.053 -73.178 -8.227 1.00 53.65 ? 57 LYS H HG3 1 ATOM 862 H HD2 . LYS A 1 58 ? 20.447 -71.577 -9.799 1.00 54.88 ? 57 LYS H HD2 1 ATOM 863 H HD3 . LYS A 1 58 ? 21.491 -70.553 -9.169 1.00 54.88 ? 57 LYS H HD3 1 ATOM 864 H HE2 . LYS A 1 58 ? 23.243 -71.975 -9.807 1.00 57.05 ? 57 LYS H HE2 1 ATOM 865 H HE3 . LYS A 1 58 ? 22.186 -72.956 -10.477 1.00 57.05 ? 57 LYS H HE3 1 ATOM 866 H HZ1 . LYS A 1 58 ? 21.717 -71.311 -11.977 1.00 59.19 ? 57 LYS H HZ1 1 ATOM 867 H HZ2 . LYS A 1 58 ? 22.679 -70.417 -11.366 1.00 59.19 ? 57 LYS H HZ2 1 ATOM 868 H HZ3 . LYS A 1 58 ? 23.132 -71.614 -12.045 1.00 59.19 ? 57 LYS H HZ3 1 ATOM 869 N N . TYR A 1 59 ? 19.247 -70.793 -4.164 1.00 33.64 ? 58 TYR H N 1 ATOM 870 C CA . TYR A 1 59 ? 18.214 -70.094 -3.410 1.00 33.84 ? 58 TYR H CA 1 ATOM 871 C C . TYR A 1 59 ? 18.458 -68.595 -3.491 1.00 34.96 ? 58 TYR H C 1 ATOM 872 O O . TYR A 1 59 ? 19.589 -68.137 -3.341 1.00 35.96 ? 58 TYR H O 1 ATOM 873 C CB . TYR A 1 59 ? 18.217 -70.538 -1.946 1.00 33.36 ? 58 TYR H CB 1 ATOM 874 C CG . TYR A 1 59 ? 18.082 -72.032 -1.749 1.00 32.13 ? 58 TYR H CG 1 ATOM 875 C CD1 . TYR A 1 59 ? 16.841 -72.617 -1.530 1.00 33.54 ? 58 TYR H CD1 1 ATOM 876 C CD2 . TYR A 1 59 ? 19.199 -72.858 -1.777 1.00 34.85 ? 58 TYR H CD2 1 ATOM 877 C CE1 . TYR A 1 59 ? 16.716 -73.984 -1.346 1.00 39.53 ? 58 TYR H CE1 1 ATOM 878 C CE2 . TYR A 1 59 ? 19.084 -74.225 -1.595 1.00 41.59 ? 58 TYR H CE2 1 ATOM 879 C CZ . TYR A 1 59 ? 17.841 -74.783 -1.379 1.00 44.11 ? 58 TYR H CZ 1 ATOM 880 O OH . TYR A 1 59 ? 17.727 -76.143 -1.199 1.00 49.62 ? 58 TYR H OH 1 ATOM 881 H H . TYR A 1 59 ? 20.035 -70.464 -4.066 1.00 40.37 ? 58 TYR H H 1 ATOM 882 H HA . TYR A 1 59 ? 17.335 -70.290 -3.795 1.00 40.61 ? 58 TYR H HA 1 ATOM 883 H HB2 . TYR A 1 59 ? 19.052 -70.261 -1.538 1.00 40.03 ? 58 TYR H HB2 1 ATOM 884 H HB3 . TYR A 1 59 ? 17.474 -70.113 -1.491 1.00 40.03 ? 58 TYR H HB3 1 ATOM 885 H HD1 . TYR A 1 59 ? 16.081 -72.081 -1.506 1.00 40.25 ? 58 TYR H HD1 1 ATOM 886 H HD2 . TYR A 1 59 ? 20.039 -72.486 -1.921 1.00 41.82 ? 58 TYR H HD2 1 ATOM 887 H HE1 . TYR A 1 59 ? 15.878 -74.362 -1.201 1.00 47.43 ? 58 TYR H HE1 1 ATOM 888 H HE2 . TYR A 1 59 ? 19.841 -74.765 -1.617 1.00 49.91 ? 58 TYR H HE2 1 ATOM 889 H HH . TYR A 1 59 ? 18.162 -76.376 -0.545 1.00 59.55 ? 58 TYR H HH 1 ATOM 890 N N . HIS A 1 60 ? 17.396 -67.835 -3.734 1.00 33.62 ? 59 HIS H N 1 ATOM 891 C CA . HIS A 1 60 ? 17.493 -66.383 -3.800 1.00 29.35 ? 59 HIS H CA 1 ATOM 892 C C . HIS A 1 60 ? 16.449 -65.749 -2.897 1.00 26.04 ? 59 HIS H C 1 ATOM 893 O O . HIS A 1 60 ? 15.325 -66.239 -2.798 1.00 24.63 ? 59 HIS H O 1 ATOM 894 C CB . HIS A 1 60 ? 17.292 -65.892 -5.233 1.00 31.33 ? 59 HIS H CB 1 ATOM 895 C CG . HIS A 1 60 ? 18.253 -66.483 -6.213 1.00 32.40 ? 59 HIS H CG 1 ATOM 896 N ND1 . HIS A 1 60 ? 17.998 -67.657 -6.892 1.00 36.78 ? 59 HIS H ND1 1 ATOM 897 C CD2 . HIS A 1 60 ? 19.474 -66.071 -6.628 1.00 30.01 ? 59 HIS H CD2 1 ATOM 898 C CE1 . HIS A 1 60 ? 19.015 -67.937 -7.683 1.00 36.29 ? 59 HIS H CE1 1 ATOM 899 N NE2 . HIS A 1 60 ? 19.926 -66.989 -7.542 1.00 33.03 ? 59 HIS H NE2 1 ATOM 900 H H . HIS A 1 60 ? 16.602 -68.139 -3.865 1.00 40.34 ? 59 HIS H H 1 ATOM 901 H HA . HIS A 1 60 ? 18.380 -66.100 -3.495 1.00 35.22 ? 59 HIS H HA 1 ATOM 902 H HB2 . HIS A 1 60 ? 16.395 -66.125 -5.521 1.00 37.59 ? 59 HIS H HB2 1 ATOM 903 H HB3 . HIS A 1 60 ? 17.404 -64.929 -5.253 1.00 37.59 ? 59 HIS H HB3 1 ATOM 904 H HD1 . HIS A 1 60 ? 17.284 -68.131 -6.814 1.00 44.13 ? 59 HIS H HD1 1 ATOM 905 H HD2 . HIS A 1 60 ? 19.922 -65.306 -6.348 1.00 36.01 ? 59 HIS H HD2 1 ATOM 906 H HE1 . HIS A 1 60 ? 19.081 -68.676 -8.244 1.00 43.55 ? 59 HIS H HE1 1 ATOM 907 N N . SER A 1 61 ? 16.822 -64.656 -2.244 1.00 25.25 ? 60 SER H N 1 ATOM 908 C CA . SER A 1 61 ? 15.905 -63.957 -1.358 1.00 25.72 ? 60 SER H CA 1 ATOM 909 C C . SER A 1 61 ? 14.717 -63.438 -2.156 1.00 28.21 ? 60 SER H C 1 ATOM 910 O O . SER A 1 61 ? 14.831 -63.167 -3.352 1.00 29.33 ? 60 SER H O 1 ATOM 911 C CB . SER A 1 61 ? 16.613 -62.792 -0.671 1.00 29.26 ? 60 SER H CB 1 ATOM 912 O OG . SER A 1 61 ? 16.770 -61.703 -1.564 1.00 35.57 ? 60 SER H OG 1 ATOM 913 H H . SER A 1 61 ? 17.602 -64.298 -2.297 1.00 30.30 ? 60 SER H H 1 ATOM 914 H HA . SER A 1 61 ? 15.577 -64.574 -0.671 1.00 30.86 ? 60 SER H HA 1 ATOM 915 H HB2 . SER A 1 61 ? 16.082 -62.504 0.088 1.00 35.11 ? 60 SER H HB2 1 ATOM 916 H HB3 . SER A 1 61 ? 17.488 -63.086 -0.373 1.00 35.11 ? 60 SER H HB3 1 ATOM 917 H HG . SER A 1 61 ? 17.151 -61.083 -1.186 1.00 42.68 ? 60 SER H HG 1 ATOM 918 N N . ASP A 1 62 ? 13.579 -63.296 -1.486 1.00 24.49 ? 61 ASP H N 1 ATOM 919 C CA . ASP A 1 62 ? 12.363 -62.817 -2.133 1.00 29.07 ? 61 ASP H CA 1 ATOM 920 C C . ASP A 1 62 ? 12.485 -61.369 -2.615 1.00 29.95 ? 61 ASP H C 1 ATOM 921 O O . ASP A 1 62 ? 11.823 -60.973 -3.577 1.00 27.87 ? 61 ASP H O 1 ATOM 922 C CB . ASP A 1 62 ? 11.178 -62.933 -1.173 1.00 34.38 ? 61 ASP H CB 1 ATOM 923 C CG . ASP A 1 62 ? 10.827 -64.374 -0.846 1.00 46.19 ? 61 ASP H CG 1 ATOM 924 O OD1 . ASP A 1 62 ? 10.965 -65.242 -1.734 1.00 49.90 ? 61 ASP H OD1 1 ATOM 925 O OD2 . ASP A 1 62 ? 10.406 -64.637 0.301 1.00 54.42 ? 61 ASP H OD2 1 ATOM 926 H H . ASP A 1 62 ? 13.484 -63.471 -0.650 1.00 29.39 ? 61 ASP H H 1 ATOM 927 H HA . ASP A 1 62 ? 12.176 -63.380 -2.913 1.00 34.89 ? 61 ASP H HA 1 ATOM 928 H HB2 . ASP A 1 62 ? 11.398 -62.482 -0.343 1.00 41.25 ? 61 ASP H HB2 1 ATOM 929 H HB3 . ASP A 1 62 ? 10.400 -62.520 -1.580 1.00 41.25 ? 61 ASP H HB3 1 ATOM 930 N N . SER A 1 63 ? 13.323 -60.580 -1.946 1.00 33.03 ? 62 SER H N 1 ATOM 931 C CA . SER A 1 63 ? 13.434 -59.152 -2.251 1.00 39.35 ? 62 SER H CA 1 ATOM 932 C C . SER A 1 63 ? 14.295 -58.871 -3.481 1.00 38.96 ? 62 SER H C 1 ATOM 933 O O . SER A 1 63 ? 14.234 -57.779 -4.046 1.00 43.11 ? 62 SER H O 1 ATOM 934 C CB . SER A 1 63 ? 13.992 -58.378 -1.050 1.00 42.11 ? 62 SER H CB 1 ATOM 935 O OG . SER A 1 63 ? 15.330 -58.752 -0.769 1.00 44.17 ? 62 SER H OG 1 ATOM 936 H H . SER A 1 63 ? 13.839 -60.846 -1.312 1.00 39.64 ? 62 SER H H 1 ATOM 937 H HA . SER A 1 63 ? 12.536 -58.804 -2.434 1.00 47.22 ? 62 SER H HA 1 ATOM 938 H HB2 . SER A 1 63 ? 13.967 -57.429 -1.248 1.00 50.54 ? 62 SER H HB2 1 ATOM 939 H HB3 . SER A 1 63 ? 13.444 -58.567 -0.272 1.00 50.54 ? 62 SER H HB3 1 ATOM 940 H HG . SER A 1 63 ? 15.610 -58.328 -0.125 1.00 53.00 ? 62 SER H HG 1 ATOM 941 N N . MET A 1 64 ? 15.097 -59.849 -3.893 1.00 34.41 ? 63 MET H N 1 ATOM 942 C CA . MET A 1 64 ? 15.959 -59.677 -5.059 1.00 31.68 ? 63 MET H CA 1 ATOM 943 C C . MET A 1 64 ? 15.668 -60.689 -6.165 1.00 36.10 ? 63 MET H C 1 ATOM 944 O O . MET A 1 64 ? 16.264 -60.623 -7.241 1.00 31.17 ? 63 MET H O 1 ATOM 945 C CB . MET A 1 64 ? 17.430 -59.767 -4.654 1.00 24.83 ? 63 MET H CB 1 ATOM 946 C CG . MET A 1 64 ? 17.895 -58.623 -3.767 1.00 24.29 ? 63 MET H CG 1 ATOM 947 S SD . MET A 1 64 ? 19.665 -58.318 -3.906 1.00 46.33 ? 63 MET H SD 1 ATOM 948 C CE . MET A 1 64 ? 19.741 -57.519 -5.509 1.00 36.00 ? 63 MET H CE 1 ATOM 949 H H . MET A 1 64 ? 15.162 -60.619 -3.515 1.00 41.30 ? 63 MET H H 1 ATOM 950 H HA . MET A 1 64 ? 15.810 -58.778 -5.419 1.00 38.02 ? 63 MET H HA 1 ATOM 951 H HB2 . MET A 1 64 ? 17.571 -60.594 -4.167 1.00 29.79 ? 63 MET H HB2 1 ATOM 952 H HB3 . MET A 1 64 ? 17.976 -59.761 -5.456 1.00 29.79 ? 63 MET H HB3 1 ATOM 953 H HG2 . MET A 1 64 ? 17.429 -57.812 -4.026 1.00 29.15 ? 63 MET H HG2 1 ATOM 954 H HG3 . MET A 1 64 ? 17.698 -58.839 -2.842 1.00 29.15 ? 63 MET H HG3 1 ATOM 955 H HE1 . MET A 1 64 ? 20.654 -57.300 -5.706 1.00 43.20 ? 63 MET H HE1 1 ATOM 956 H HE2 . MET A 1 64 ? 19.397 -58.121 -6.174 1.00 43.20 ? 63 MET H HE2 1 ATOM 957 H HE3 . MET A 1 64 ? 19.210 -56.720 -5.485 1.00 43.20 ? 63 MET H HE3 1 ATOM 958 N N . TRP A 1 65 ? 14.756 -61.619 -5.905 1.00 38.94 ? 64 TRP H N 1 ATOM 959 C CA . TRP A 1 65 ? 14.407 -62.630 -6.895 1.00 37.37 ? 64 TRP H CA 1 ATOM 960 C C . TRP A 1 65 ? 13.994 -61.979 -8.210 1.00 40.44 ? 64 TRP H C 1 ATOM 961 O O . TRP A 1 65 ? 13.119 -61.113 -8.236 1.00 42.39 ? 64 TRP H O 1 ATOM 962 C CB . TRP A 1 65 ? 13.278 -63.522 -6.383 1.00 35.10 ? 64 TRP H CB 1 ATOM 963 C CG . TRP A 1 65 ? 12.775 -64.470 -7.418 1.00 34.39 ? 64 TRP H CG 1 ATOM 964 C CD1 . TRP A 1 65 ? 13.412 -65.580 -7.889 1.00 33.07 ? 64 TRP H CD1 1 ATOM 965 C CD2 . TRP A 1 65 ? 11.528 -64.394 -8.117 1.00 34.41 ? 64 TRP H CD2 1 ATOM 966 N NE1 . TRP A 1 65 ? 12.639 -66.201 -8.839 1.00 33.51 ? 64 TRP H NE1 1 ATOM 967 C CE2 . TRP A 1 65 ? 11.477 -65.494 -8.998 1.00 34.03 ? 64 TRP H CE2 1 ATOM 968 C CE3 . TRP A 1 65 ? 10.450 -63.504 -8.085 1.00 36.33 ? 64 TRP H CE3 1 ATOM 969 C CZ2 . TRP A 1 65 ? 10.390 -65.727 -9.838 1.00 38.11 ? 64 TRP H CZ2 1 ATOM 970 C CZ3 . TRP A 1 65 ? 9.372 -63.738 -8.920 1.00 41.07 ? 64 TRP H CZ3 1 ATOM 971 C CH2 . TRP A 1 65 ? 9.350 -64.841 -9.784 1.00 41.64 ? 64 TRP H CH2 1 ATOM 972 H H . TRP A 1 65 ? 14.325 -61.687 -5.164 1.00 46.73 ? 64 TRP H H 1 ATOM 973 H HA . TRP A 1 65 ? 15.189 -63.195 -7.066 1.00 44.85 ? 64 TRP H HA 1 ATOM 974 H HB2 . TRP A 1 65 ? 13.603 -64.043 -5.632 1.00 42.12 ? 64 TRP H HB2 1 ATOM 975 H HB3 . TRP A 1 65 ? 12.536 -62.963 -6.103 1.00 42.12 ? 64 TRP H HB3 1 ATOM 976 H HD1 . TRP A 1 65 ? 14.249 -65.873 -7.608 1.00 39.69 ? 64 TRP H HD1 1 ATOM 977 H HE1 . TRP A 1 65 ? 12.850 -66.918 -9.264 1.00 40.21 ? 64 TRP H HE1 1 ATOM 978 H HE3 . TRP A 1 65 ? 10.458 -62.771 -7.514 1.00 43.59 ? 64 TRP H HE3 1 ATOM 979 H HZ2 . TRP A 1 65 ? 10.372 -66.458 -10.413 1.00 45.73 ? 64 TRP H HZ2 1 ATOM 980 H HZ3 . TRP A 1 65 ? 8.649 -63.153 -8.907 1.00 49.28 ? 64 TRP H HZ3 1 ATOM 981 H HH2 . TRP A 1 65 ? 8.612 -64.972 -10.334 1.00 49.96 ? 64 TRP H HH2 1 ATOM 982 N N . GLY A 1 66 ? 14.629 -62.404 -9.298 1.00 38.72 ? 65 GLY H N 1 ATOM 983 C CA . GLY A 1 66 ? 14.354 -61.851 -10.611 1.00 36.50 ? 65 GLY H CA 1 ATOM 984 C C . GLY A 1 66 ? 15.429 -60.879 -11.062 1.00 32.43 ? 65 GLY H C 1 ATOM 985 O O . GLY A 1 66 ? 15.499 -60.520 -12.237 1.00 32.09 ? 65 GLY H O 1 ATOM 986 H H . GLY A 1 66 ? 15.230 -63.019 -9.298 1.00 46.46 ? 65 GLY H H 1 ATOM 987 H HA2 . GLY A 1 66 ? 14.297 -62.570 -11.260 1.00 43.81 ? 65 GLY H HA2 1 ATOM 988 H HA3 . GLY A 1 66 ? 13.504 -61.383 -10.594 1.00 43.81 ? 65 GLY H HA3 1 ATOM 989 N N . ARG A 1 67 ? 16.269 -60.446 -10.125 1.00 27.77 ? 66 ARG H N 1 ATOM 990 C CA . ARG A 1 67 ? 17.348 -59.520 -10.443 1.00 23.40 ? 66 ARG H CA 1 ATOM 991 C C . ARG A 1 67 ? 18.720 -60.114 -10.145 1.00 23.34 ? 66 ARG H C 1 ATOM 992 O O . ARG A 1 67 ? 19.742 -59.479 -10.406 1.00 22.75 ? 66 ARG H O 1 ATOM 993 C CB . ARG A 1 67 ? 17.166 -58.208 -9.674 1.00 24.32 ? 66 ARG H CB 1 ATOM 994 C CG . ARG A 1 67 ? 15.785 -57.593 -9.853 1.00 27.75 ? 66 ARG H CG 1 ATOM 995 C CD . ARG A 1 67 ? 15.720 -56.157 -9.357 1.00 30.00 ? 66 ARG H CD 1 ATOM 996 N NE . ARG A 1 67 ? 16.159 -56.019 -7.971 1.00 30.54 ? 66 ARG H NE 1 ATOM 997 C CZ . ARG A 1 67 ? 15.426 -56.338 -6.907 1.00 28.16 ? 66 ARG H CZ 1 ATOM 998 N NH1 . ARG A 1 67 ? 14.203 -56.832 -7.050 1.00 26.03 ? 66 ARG H NH1 1 ATOM 999 N NH2 . ARG A 1 67 ? 15.922 -56.165 -5.690 1.00 26.05 ? 66 ARG H NH2 1 ATOM 1000 H H . ARG A 1 67 ? 16.234 -60.676 -9.297 1.00 33.32 ? 66 ARG H H 1 ATOM 1001 H HA . ARG A 1 67 ? 17.314 -59.313 -11.400 1.00 28.08 ? 66 ARG H HA 1 ATOM 1002 H HB2 . ARG A 1 67 ? 17.296 -58.378 -8.728 1.00 29.19 ? 66 ARG H HB2 1 ATOM 1003 H HB3 . ARG A 1 67 ? 17.821 -57.566 -9.989 1.00 29.19 ? 66 ARG H HB3 1 ATOM 1004 H HG2 . ARG A 1 67 ? 15.556 -57.596 -10.795 1.00 33.30 ? 66 ARG H HG2 1 ATOM 1005 H HG3 . ARG A 1 67 ? 15.138 -58.114 -9.351 1.00 33.30 ? 66 ARG H HG3 1 ATOM 1006 H HD2 . ARG A 1 67 ? 16.295 -55.605 -9.910 1.00 36.01 ? 66 ARG H HD2 1 ATOM 1007 H HD3 . ARG A 1 67 ? 14.804 -55.844 -9.414 1.00 36.01 ? 66 ARG H HD3 1 ATOM 1008 H HE . ARG A 1 67 ? 16.949 -55.709 -7.832 1.00 36.65 ? 66 ARG H HE 1 ATOM 1009 H HH11 . ARG A 1 67 ? 13.874 -56.945 -7.837 1.00 31.23 ? 66 ARG H HH11 1 ATOM 1010 H HH12 . ARG A 1 67 ? 13.738 -57.037 -6.357 1.00 31.23 ? 66 ARG H HH12 1 ATOM 1011 H HH21 . ARG A 1 67 ? 16.715 -55.847 -5.591 1.00 31.25 ? 66 ARG H HH21 1 ATOM 1012 H HH22 . ARG A 1 67 ? 15.452 -56.374 -5.001 1.00 31.25 ? 66 ARG H HH22 1 ATOM 1013 N N . VAL A 1 68 ? 18.745 -61.331 -9.607 1.00 25.84 ? 67 VAL H N 1 ATOM 1014 C CA . VAL A 1 68 ? 20.006 -61.998 -9.298 1.00 29.36 ? 67 VAL H CA 1 ATOM 1015 C C . VAL A 1 68 ? 20.013 -63.455 -9.744 1.00 29.64 ? 67 VAL H C 1 ATOM 1016 O O . VAL A 1 68 ? 18.977 -64.120 -9.773 1.00 28.23 ? 67 VAL H O 1 ATOM 1017 C CB . VAL A 1 68 ? 20.323 -61.956 -7.788 1.00 34.63 ? 67 VAL H CB 1 ATOM 1018 C CG1 . VAL A 1 68 ? 20.700 -60.547 -7.356 1.00 33.11 ? 67 VAL H CG1 1 ATOM 1019 C CG2 . VAL A 1 68 ? 19.143 -62.476 -6.982 1.00 39.25 ? 67 VAL H CG2 1 ATOM 1020 H H . VAL A 1 68 ? 18.045 -61.791 -9.412 1.00 31.01 ? 67 VAL H H 1 ATOM 1021 H HA . VAL A 1 68 ? 20.731 -61.536 -9.769 1.00 35.23 ? 67 VAL H HA 1 ATOM 1022 H HB . VAL A 1 68 ? 21.089 -62.540 -7.609 1.00 41.56 ? 67 VAL H HB 1 ATOM 1023 H HG11 . VAL A 1 68 ? 20.892 -60.550 -6.416 1.00 39.73 ? 67 VAL H HG11 1 ATOM 1024 H HG12 . VAL A 1 68 ? 21.476 -60.268 -7.848 1.00 39.73 ? 67 VAL H HG12 1 ATOM 1025 H HG13 . VAL A 1 68 ? 19.965 -59.957 -7.540 1.00 39.73 ? 67 VAL H HG13 1 ATOM 1026 H HG21 . VAL A 1 68 ? 19.363 -62.441 -6.048 1.00 47.10 ? 67 VAL H HG21 1 ATOM 1027 H HG22 . VAL A 1 68 ? 18.377 -61.925 -7.160 1.00 47.10 ? 67 VAL H HG22 1 ATOM 1028 H HG23 . VAL A 1 68 ? 18.962 -63.382 -7.242 1.00 47.10 ? 67 VAL H HG23 1 ATOM 1029 N N . THR A 1 69 ? 21.197 -63.934 -10.103 1.00 31.05 ? 68 THR H N 1 ATOM 1030 C CA . THR A 1 69 ? 21.410 -65.344 -10.389 1.00 35.12 ? 68 THR H CA 1 ATOM 1031 C C . THR A 1 69 ? 22.764 -65.751 -9.834 1.00 34.07 ? 68 THR H C 1 ATOM 1032 O O . THR A 1 69 ? 23.797 -65.204 -10.219 1.00 33.66 ? 68 THR H O 1 ATOM 1033 C CB . THR A 1 69 ? 21.382 -65.637 -11.897 1.00 42.88 ? 68 THR H CB 1 ATOM 1034 O OG1 . THR A 1 69 ? 20.110 -65.261 -12.440 1.00 47.53 ? 68 THR H OG1 1 ATOM 1035 C CG2 . THR A 1 69 ? 21.624 -67.119 -12.159 1.00 42.08 ? 68 THR H CG2 1 ATOM 1036 H H . THR A 1 69 ? 21.905 -63.453 -10.189 1.00 37.27 ? 68 THR H H 1 ATOM 1037 H HA . THR A 1 69 ? 20.716 -65.879 -9.951 1.00 42.15 ? 68 THR H HA 1 ATOM 1038 H HB . THR A 1 69 ? 22.082 -65.130 -12.337 1.00 51.46 ? 68 THR H HB 1 ATOM 1039 H HG1 . THR A 1 69 ? 20.092 -65.416 -13.245 1.00 57.04 ? 68 THR H HG1 1 ATOM 1040 H HG21 . THR A 1 69 ? 21.604 -67.292 -13.103 1.00 50.50 ? 68 THR H HG21 1 ATOM 1041 H HG22 . THR A 1 69 ? 22.481 -67.377 -11.812 1.00 50.50 ? 68 THR H HG22 1 ATOM 1042 H HG23 . THR A 1 69 ? 20.943 -67.643 -11.731 1.00 50.50 ? 68 THR H HG23 1 ATOM 1043 N N . ILE A 1 70 ? 22.749 -66.711 -8.919 1.00 32.03 ? 69 ILE H N 1 ATOM 1044 C CA . ILE A 1 70 ? 23.972 -67.212 -8.319 1.00 29.03 ? 69 ILE H CA 1 ATOM 1045 C C . ILE A 1 70 ? 24.468 -68.411 -9.115 1.00 33.35 ? 69 ILE H C 1 ATOM 1046 O O . ILE A 1 70 ? 23.673 -69.190 -9.644 1.00 39.76 ? 69 ILE H O 1 ATOM 1047 C CB . ILE A 1 70 ? 23.748 -67.623 -6.850 1.00 29.02 ? 69 ILE H CB 1 ATOM 1048 C CG1 . ILE A 1 70 ? 25.088 -67.887 -6.159 1.00 24.72 ? 69 ILE H CG1 1 ATOM 1049 C CG2 . ILE A 1 70 ? 22.848 -68.855 -6.763 1.00 31.65 ? 69 ILE H CG2 1 ATOM 1050 C CD1 . ILE A 1 70 ? 24.984 -67.984 -4.648 1.00 22.42 ? 69 ILE H CD1 1 ATOM 1051 H H . ILE A 1 70 ? 22.035 -67.090 -8.627 1.00 38.44 ? 69 ILE H H 1 ATOM 1052 H HA . ILE A 1 70 ? 24.660 -66.515 -8.345 1.00 34.83 ? 69 ILE H HA 1 ATOM 1053 H HB . ILE A 1 70 ? 23.308 -66.891 -6.392 1.00 34.82 ? 69 ILE H HB 1 ATOM 1054 H HG12 . ILE A 1 70 ? 25.449 -68.726 -6.486 1.00 29.67 ? 69 ILE H HG12 1 ATOM 1055 H HG13 . ILE A 1 70 ? 25.697 -67.163 -6.370 1.00 29.67 ? 69 ILE H HG13 1 ATOM 1056 H HG21 . ILE A 1 70 ? 22.726 -69.088 -5.840 1.00 37.98 ? 69 ILE H HG21 1 ATOM 1057 H HG22 . ILE A 1 70 ? 22.001 -68.651 -7.165 1.00 37.98 ? 69 ILE H HG22 1 ATOM 1058 H HG23 . ILE A 1 70 ? 23.267 -69.581 -7.232 1.00 37.98 ? 69 ILE H HG23 1 ATOM 1059 H HD11 . ILE A 1 70 ? 25.858 -68.149 -4.286 1.00 26.91 ? 69 ILE H HD11 1 ATOM 1060 H HD12 . ILE A 1 70 ? 24.639 -67.156 -4.306 1.00 26.91 ? 69 ILE H HD12 1 ATOM 1061 H HD13 . ILE A 1 70 ? 24.393 -68.705 -4.421 1.00 26.91 ? 69 ILE H HD13 1 ATOM 1062 N N . SER A 1 71 ? 25.784 -68.547 -9.213 1.00 32.71 ? 70 SER H N 1 ATOM 1063 C CA . SER A 1 71 ? 26.383 -69.702 -9.866 1.00 35.73 ? 70 SER H CA 1 ATOM 1064 C C . SER A 1 71 ? 27.823 -69.864 -9.401 1.00 37.36 ? 70 SER H C 1 ATOM 1065 O O . SER A 1 71 ? 28.341 -69.033 -8.658 1.00 35.25 ? 70 SER H O 1 ATOM 1066 C CB . SER A 1 71 ? 26.327 -69.555 -11.387 1.00 34.73 ? 70 SER H CB 1 ATOM 1067 O OG . SER A 1 71 ? 27.214 -68.548 -11.838 1.00 36.23 ? 70 SER H OG 1 ATOM 1068 H H . SER A 1 71 ? 26.355 -67.981 -8.907 1.00 39.25 ? 70 SER H H 1 ATOM 1069 H HA . SER A 1 71 ? 25.886 -70.509 -9.617 1.00 42.87 ? 70 SER H HA 1 ATOM 1070 H HB2 . SER A 1 71 ? 26.577 -70.399 -11.795 1.00 41.68 ? 70 SER H HB2 1 ATOM 1071 H HB3 . SER A 1 71 ? 25.423 -69.317 -11.648 1.00 41.68 ? 70 SER H HB3 1 ATOM 1072 H HG . SER A 1 71 ? 27.172 -68.482 -12.654 1.00 43.48 ? 70 SER H HG 1 ATOM 1073 N N . ARG A 1 72 ? 28.467 -70.938 -9.842 1.00 40.88 ? 71 ARG H N 1 ATOM 1074 C CA . ARG A 1 72 ? 29.834 -71.219 -9.434 1.00 41.14 ? 71 ARG H CA 1 ATOM 1075 C C . ARG A 1 72 ? 30.547 -72.079 -10.467 1.00 42.35 ? 71 ARG H C 1 ATOM 1076 O O . ARG A 1 72 ? 29.911 -72.793 -11.242 1.00 36.82 ? 71 ARG H O 1 ATOM 1077 C CB . ARG A 1 72 ? 29.838 -71.935 -8.084 1.00 41.00 ? 71 ARG H CB 1 ATOM 1078 C CG . ARG A 1 72 ? 29.153 -73.295 -8.102 1.00 41.35 ? 71 ARG H CG 1 ATOM 1079 C CD . ARG A 1 72 ? 29.003 -73.851 -6.696 1.00 42.56 ? 71 ARG H CD 1 ATOM 1080 N NE . ARG A 1 72 ? 30.293 -74.012 -6.027 1.00 45.68 ? 71 ARG H NE 1 ATOM 1081 C CZ . ARG A 1 72 ? 30.447 -74.154 -4.714 1.00 44.73 ? 71 ARG H CZ 1 ATOM 1082 N NH1 . ARG A 1 72 ? 29.395 -74.148 -3.906 1.00 38.33 ? 71 ARG H NH1 1 ATOM 1083 N NH2 . ARG A 1 72 ? 31.661 -74.295 -4.202 1.00 49.80 ? 71 ARG H NH2 1 ATOM 1084 H H . ARG A 1 72 ? 28.132 -71.520 -10.380 1.00 49.06 ? 71 ARG H H 1 ATOM 1085 H HA . ARG A 1 72 ? 30.326 -70.377 -9.340 1.00 49.37 ? 71 ARG H HA 1 ATOM 1086 H HB2 . ARG A 1 72 ? 30.758 -72.071 -7.806 1.00 49.20 ? 71 ARG H HB2 1 ATOM 1087 H HB3 . ARG A 1 72 ? 29.377 -71.380 -7.435 1.00 49.20 ? 71 ARG H HB3 1 ATOM 1088 H HG2 . ARG A 1 72 ? 28.269 -73.204 -8.491 1.00 49.62 ? 71 ARG H HG2 1 ATOM 1089 H HG3 . ARG A 1 72 ? 29.687 -73.917 -8.622 1.00 49.62 ? 71 ARG H HG3 1 ATOM 1090 H HD2 . ARG A 1 72 ? 28.464 -73.242 -6.169 1.00 51.08 ? 71 ARG H HD2 1 ATOM 1091 H HD3 . ARG A 1 72 ? 28.576 -74.721 -6.742 1.00 51.08 ? 71 ARG H HD3 1 ATOM 1092 H HE . ARG A 1 72 ? 31.000 -74.016 -6.517 1.00 54.81 ? 71 ARG H HE 1 ATOM 1093 H HH11 . ARG A 1 72 ? 28.604 -74.057 -4.231 1.00 45.99 ? 71 ARG H HH11 1 ATOM 1094 H HH12 . ARG A 1 72 ? 29.503 -74.239 -3.058 1.00 45.99 ? 71 ARG H HH12 1 ATOM 1095 H HH21 . ARG A 1 72 ? 32.348 -74.298 -4.719 1.00 59.76 ? 71 ARG H HH21 1 ATOM 1096 H HH22 . ARG A 1 72 ? 31.761 -74.384 -3.352 1.00 59.76 ? 71 ARG H HH22 1 ATOM 1097 N N . ASP A 1 73 ? 31.873 -72.005 -10.471 1.00 46.48 ? 72 ASP H N 1 ATOM 1098 C CA . ASP A 1 73 ? 32.686 -72.857 -11.328 1.00 48.87 ? 72 ASP H CA 1 ATOM 1099 C C . ASP A 1 73 ? 33.773 -73.508 -10.484 1.00 49.91 ? 72 ASP H C 1 ATOM 1100 O O . ASP A 1 73 ? 34.835 -72.926 -10.261 1.00 52.42 ? 72 ASP H O 1 ATOM 1101 C CB . ASP A 1 73 ? 33.305 -72.050 -12.469 1.00 52.76 ? 72 ASP H CB 1 ATOM 1102 C CG . ASP A 1 73 ? 33.899 -72.932 -13.547 1.00 65.07 ? 72 ASP H CG 1 ATOM 1103 O OD1 . ASP A 1 73 ? 33.693 -72.633 -14.742 1.00 72.37 ? 72 ASP H OD1 1 ATOM 1104 O OD2 . ASP A 1 73 ? 34.568 -73.928 -13.202 1.00 68.55 ? 72 ASP H OD2 1 ATOM 1105 H H . ASP A 1 73 ? 32.330 -71.465 -9.981 1.00 55.77 ? 72 ASP H H 1 ATOM 1106 H HA . ASP A 1 73 ? 32.126 -73.562 -11.713 1.00 58.64 ? 72 ASP H HA 1 ATOM 1107 H HB2 . ASP A 1 73 ? 32.618 -71.498 -12.876 1.00 63.31 ? 72 ASP H HB2 1 ATOM 1108 H HB3 . ASP A 1 73 ? 34.013 -71.490 -12.114 1.00 63.31 ? 72 ASP H HB3 1 ATOM 1109 N N . ASN A 1 74 ? 33.494 -74.721 -10.016 1.00 49.79 ? 73 ASN H N 1 ATOM 1110 C CA . ASN A 1 74 ? 34.390 -75.417 -9.102 1.00 51.33 ? 73 ASN H CA 1 ATOM 1111 C C . ASN A 1 74 ? 35.738 -75.758 -9.730 1.00 57.32 ? 73 ASN H C 1 ATOM 1112 O O . ASN A 1 74 ? 36.711 -76.015 -9.020 1.00 60.99 ? 73 ASN H O 1 ATOM 1113 C CB . ASN A 1 74 ? 33.723 -76.690 -8.574 1.00 50.10 ? 73 ASN H CB 1 ATOM 1114 C CG . ASN A 1 74 ? 32.543 -76.395 -7.664 1.00 48.74 ? 73 ASN H CG 1 ATOM 1115 O OD1 . ASN A 1 74 ? 32.448 -75.314 -7.083 1.00 44.30 ? 73 ASN H OD1 1 ATOM 1116 N ND2 . ASN A 1 74 ? 31.641 -77.360 -7.532 1.00 52.07 ? 73 ASN H ND2 1 ATOM 1117 H H . ASN A 1 74 ? 32.786 -75.165 -10.216 1.00 59.75 ? 73 ASN H H 1 ATOM 1118 H HA . ASN A 1 74 ? 34.563 -74.834 -8.333 1.00 61.59 ? 73 ASN H HA 1 ATOM 1119 H HB2 . ASN A 1 74 ? 33.400 -77.213 -9.324 1.00 60.12 ? 73 ASN H HB2 1 ATOM 1120 H HB3 . ASN A 1 74 ? 34.373 -77.201 -8.067 1.00 60.12 ? 73 ASN H HB3 1 ATOM 1121 H HD21 . ASN A 1 74 ? 31.743 -78.104 -7.951 1.00 62.48 ? 73 ASN H HD21 1 ATOM 1122 H HD22 . ASN A 1 74 ? 30.954 -77.241 -7.028 1.00 62.48 ? 73 ASN H HD22 1 ATOM 1123 N N . SER A 1 75 ? 35.796 -75.756 -11.058 1.00 58.62 ? 74 SER H N 1 ATOM 1124 C CA . SER A 1 75 ? 37.039 -76.060 -11.758 1.00 63.96 ? 74 SER H CA 1 ATOM 1125 C C . SER A 1 75 ? 38.021 -74.892 -11.671 1.00 62.52 ? 74 SER H C 1 ATOM 1126 O O . SER A 1 75 ? 39.200 -75.039 -11.999 1.00 67.59 ? 74 SER H O 1 ATOM 1127 C CB . SER A 1 75 ? 36.764 -76.417 -13.222 1.00 68.75 ? 74 SER H CB 1 ATOM 1128 O OG . SER A 1 75 ? 36.192 -75.326 -13.920 1.00 68.28 ? 74 SER H OG 1 ATOM 1129 H H . SER A 1 75 ? 35.131 -75.583 -11.576 1.00 70.34 ? 74 SER H H 1 ATOM 1130 H HA . SER A 1 75 ? 37.459 -76.837 -11.334 1.00 76.75 ? 74 SER H HA 1 ATOM 1131 H HB2 . SER A 1 75 ? 37.601 -76.659 -13.649 1.00 82.49 ? 74 SER H HB2 1 ATOM 1132 H HB3 . SER A 1 75 ? 36.149 -77.167 -13.252 1.00 82.49 ? 74 SER H HB3 1 ATOM 1133 H HG . SER A 1 75 ? 36.105 -74.685 -13.416 1.00 81.94 ? 74 SER H HG 1 ATOM 1134 N N . LYS A 1 76 ? 37.535 -73.732 -11.236 1.00 57.03 ? 75 LYS H N 1 ATOM 1135 C CA . LYS A 1 76 ? 38.408 -72.584 -11.010 1.00 60.85 ? 75 LYS H CA 1 ATOM 1136 C C . LYS A 1 76 ? 38.047 -71.819 -9.734 1.00 56.09 ? 75 LYS H C 1 ATOM 1137 O O . LYS A 1 76 ? 38.261 -70.612 -9.642 1.00 57.36 ? 75 LYS H O 1 ATOM 1138 C CB . LYS A 1 76 ? 38.421 -71.653 -12.228 1.00 71.84 ? 75 LYS H CB 1 ATOM 1139 C CG . LYS A 1 76 ? 37.071 -71.408 -12.876 1.00 81.42 ? 75 LYS H CG 1 ATOM 1140 C CD . LYS A 1 76 ? 37.250 -70.662 -14.192 1.00 92.87 ? 75 LYS H CD 1 ATOM 1141 C CE . LYS A 1 76 ? 35.925 -70.234 -14.792 1.00 99.04 ? 75 LYS H CE 1 ATOM 1142 N NZ . LYS A 1 76 ? 36.118 -69.434 -16.032 1.00 105.01 ? 75 LYS H NZ 1 ATOM 1143 H H . LYS A 1 76 ? 36.706 -73.584 -11.065 1.00 68.44 ? 75 LYS H H 1 ATOM 1144 H HA . LYS A 1 76 ? 39.323 -72.917 -10.894 1.00 73.02 ? 75 LYS H HA 1 ATOM 1145 H HB2 . LYS A 1 76 ? 38.772 -70.791 -11.952 1.00 86.21 ? 75 LYS H HB2 1 ATOM 1146 H HB3 . LYS A 1 76 ? 39.002 -72.038 -12.902 1.00 86.21 ? 75 LYS H HB3 1 ATOM 1147 H HG2 . LYS A 1 76 ? 36.640 -72.257 -13.059 1.00 97.71 ? 75 LYS H HG2 1 ATOM 1148 H HG3 . LYS A 1 76 ? 36.522 -70.867 -12.288 1.00 97.71 ? 75 LYS H HG3 1 ATOM 1149 H HD2 . LYS A 1 76 ? 37.782 -69.867 -14.037 1.00 111.45 ? 75 LYS H HD2 1 ATOM 1150 H HD3 . LYS A 1 76 ? 37.695 -71.243 -14.829 1.00 111.45 ? 75 LYS H HD3 1 ATOM 1151 H HE2 . LYS A 1 76 ? 35.406 -71.022 -15.017 1.00 118.85 ? 75 LYS H HE2 1 ATOM 1152 H HE3 . LYS A 1 76 ? 35.445 -69.688 -14.150 1.00 118.85 ? 75 LYS H HE3 1 ATOM 1153 H HZ1 . LYS A 1 76 ? 36.590 -68.701 -15.851 1.00 126.01 ? 75 LYS H HZ1 1 ATOM 1154 H HZ2 . LYS A 1 76 ? 36.555 -69.916 -16.640 1.00 126.01 ? 75 LYS H HZ2 1 ATOM 1155 H HZ3 . LYS A 1 76 ? 35.329 -69.194 -16.366 1.00 126.01 ? 75 LYS H HZ3 1 ATOM 1156 N N . ASN A 1 77 ? 37.507 -72.538 -8.754 1.00 53.51 ? 76 ASN H N 1 ATOM 1157 C CA . ASN A 1 77 ? 37.271 -71.993 -7.418 1.00 53.84 ? 76 ASN H CA 1 ATOM 1158 C C . ASN A 1 77 ? 36.662 -70.595 -7.412 1.00 47.55 ? 76 ASN H C 1 ATOM 1159 O O . ASN A 1 77 ? 37.137 -69.712 -6.698 1.00 42.18 ? 76 ASN H O 1 ATOM 1160 C CB . ASN A 1 77 ? 38.583 -71.972 -6.625 1.00 62.68 ? 76 ASN H CB 1 ATOM 1161 C CG . ASN A 1 77 ? 39.123 -73.362 -6.351 1.00 70.74 ? 76 ASN H CG 1 ATOM 1162 O OD1 . ASN A 1 77 ? 38.371 -74.279 -6.018 1.00 69.81 ? 76 ASN H OD1 1 ATOM 1163 N ND2 . ASN A 1 77 ? 40.432 -73.527 -6.495 1.00 78.19 ? 76 ASN H ND2 1 ATOM 1164 H H . ASN A 1 77 ? 37.264 -73.359 -8.839 1.00 64.21 ? 76 ASN H H 1 ATOM 1165 H HA . ASN A 1 77 ? 36.651 -72.587 -6.946 1.00 64.61 ? 76 ASN H HA 1 ATOM 1166 H HB2 . ASN A 1 77 ? 39.251 -71.485 -7.133 1.00 75.21 ? 76 ASN H HB2 1 ATOM 1167 H HB3 . ASN A 1 77 ? 38.430 -71.536 -5.773 1.00 75.21 ? 76 ASN H HB3 1 ATOM 1168 H HD21 . ASN A 1 77 ? 40.926 -72.864 -6.731 1.00 93.83 ? 76 ASN H HD21 1 ATOM 1169 H HD22 . ASN A 1 77 ? 40.787 -74.297 -6.351 1.00 93.83 ? 76 ASN H HD22 1 ATOM 1170 N N . THR A 1 78 ? 35.604 -70.393 -8.192 1.00 46.30 ? 77 THR H N 1 ATOM 1171 C CA . THR A 1 78 ? 35.000 -69.068 -8.299 1.00 40.43 ? 77 THR H CA 1 ATOM 1172 C C . THR A 1 78 ? 33.485 -69.084 -8.125 1.00 36.62 ? 77 THR H C 1 ATOM 1173 O O . THR A 1 78 ? 32.786 -69.944 -8.662 1.00 38.50 ? 77 THR H O 1 ATOM 1174 C CB . THR A 1 78 ? 35.331 -68.405 -9.651 1.00 41.18 ? 77 THR H CB 1 ATOM 1175 O OG1 . THR A 1 78 ? 36.752 -68.357 -9.829 1.00 42.92 ? 77 THR H OG1 1 ATOM 1176 C CG2 . THR A 1 78 ? 34.771 -66.989 -9.704 1.00 38.05 ? 77 THR H CG2 1 ATOM 1177 H H . THR A 1 78 ? 35.220 -70.999 -8.666 1.00 55.56 ? 77 THR H H 1 ATOM 1178 H HA . THR A 1 78 ? 35.372 -68.500 -7.592 1.00 48.51 ? 77 THR H HA 1 ATOM 1179 H HB . THR A 1 78 ? 34.933 -68.920 -10.370 1.00 49.41 ? 77 THR H HB 1 ATOM 1180 H HG1 . THR A 1 78 ? 37.061 -69.116 -9.819 1.00 51.50 ? 77 THR H HG1 1 ATOM 1181 H HG21 . THR A 1 78 ? 34.982 -66.585 -10.549 1.00 45.66 ? 77 THR H HG21 1 ATOM 1182 H HG22 . THR A 1 78 ? 33.817 -67.010 -9.598 1.00 45.66 ? 77 THR H HG22 1 ATOM 1183 H HG23 . THR A 1 78 ? 35.153 -66.459 -9.001 1.00 45.66 ? 77 THR H HG23 1 ATOM 1184 N N . LEU A 1 79 ? 32.992 -68.111 -7.368 1.00 34.01 ? 78 LEU H N 1 ATOM 1185 C CA . LEU A 1 79 ? 31.563 -67.920 -7.174 1.00 32.99 ? 78 LEU H CA 1 ATOM 1186 C C . LEU A 1 79 ? 31.128 -66.682 -7.944 1.00 33.06 ? 78 LEU H C 1 ATOM 1187 O O . LEU A 1 79 ? 31.817 -65.665 -7.925 1.00 33.73 ? 78 LEU H O 1 ATOM 1188 C CB . LEU A 1 79 ? 31.258 -67.742 -5.688 1.00 30.33 ? 78 LEU H CB 1 ATOM 1189 C CG . LEU A 1 79 ? 29.805 -67.456 -5.313 1.00 27.18 ? 78 LEU H CG 1 ATOM 1190 C CD1 . LEU A 1 79 ? 28.985 -68.733 -5.373 1.00 30.01 ? 78 LEU H CD1 1 ATOM 1191 C CD2 . LEU A 1 79 ? 29.725 -66.811 -3.934 1.00 22.37 ? 78 LEU H CD2 1 ATOM 1192 H H . LEU A 1 79 ? 33.476 -67.537 -6.949 1.00 40.82 ? 78 LEU H H 1 ATOM 1193 H HA . LEU A 1 79 ? 31.071 -68.697 -7.512 1.00 39.58 ? 78 LEU H HA 1 ATOM 1194 H HB2 . LEU A 1 79 ? 31.518 -68.555 -5.226 1.00 36.40 ? 78 LEU H HB2 1 ATOM 1195 H HB3 . LEU A 1 79 ? 31.791 -67.002 -5.356 1.00 36.40 ? 78 LEU H HB3 1 ATOM 1196 H HG . LEU A 1 79 ? 29.433 -66.833 -5.956 1.00 32.61 ? 78 LEU H HG 1 ATOM 1197 H HD11 . LEU A 1 79 ? 28.077 -68.531 -5.134 1.00 36.01 ? 78 LEU H HD11 1 ATOM 1198 H HD12 . LEU A 1 79 ? 29.019 -69.084 -6.265 1.00 36.01 ? 78 LEU H HD12 1 ATOM 1199 H HD13 . LEU A 1 79 ? 29.352 -69.369 -4.755 1.00 36.01 ? 78 LEU H HD13 1 ATOM 1200 H HD21 . LEU A 1 79 ? 28.804 -66.641 -3.722 1.00 26.85 ? 78 LEU H HD21 1 ATOM 1201 H HD22 . LEU A 1 79 ? 30.106 -67.408 -3.287 1.00 26.85 ? 78 LEU H HD22 1 ATOM 1202 H HD23 . LEU A 1 79 ? 30.216 -65.986 -3.947 1.00 26.85 ? 78 LEU H HD23 1 ATOM 1203 N N . TYR A 1 80 ? 29.986 -66.769 -8.619 1.00 31.65 ? 79 TYR H N 1 ATOM 1204 C CA . TYR A 1 80 ? 29.496 -65.662 -9.432 1.00 29.72 ? 79 TYR H CA 1 ATOM 1205 C C . TYR A 1 80 ? 28.157 -65.135 -8.943 1.00 26.49 ? 79 TYR H C 1 ATOM 1206 O O . TYR A 1 80 ? 27.399 -65.841 -8.278 1.00 22.91 ? 79 TYR H O 1 ATOM 1207 C CB . TYR A 1 80 ? 29.348 -66.094 -10.892 1.00 29.24 ? 79 TYR H CB 1 ATOM 1208 C CG . TYR A 1 80 ? 30.641 -66.508 -11.550 1.00 31.58 ? 79 TYR H CG 1 ATOM 1209 C CD1 . TYR A 1 80 ? 31.590 -65.563 -11.918 1.00 31.54 ? 79 TYR H CD1 1 ATOM 1210 C CD2 . TYR A 1 80 ? 30.911 -67.844 -11.813 1.00 35.74 ? 79 TYR H CD2 1 ATOM 1211 C CE1 . TYR A 1 80 ? 32.773 -65.938 -12.521 1.00 38.51 ? 79 TYR H CE1 1 ATOM 1212 C CE2 . TYR A 1 80 ? 32.090 -68.228 -12.416 1.00 42.03 ? 79 TYR H CE2 1 ATOM 1213 C CZ . TYR A 1 80 ? 33.017 -67.271 -12.771 1.00 46.58 ? 79 TYR H CZ 1 ATOM 1214 O OH . TYR A 1 80 ? 34.196 -67.647 -13.374 1.00 56.77 ? 79 TYR H OH 1 ATOM 1215 H H . TYR A 1 80 ? 29.475 -67.461 -8.623 1.00 37.98 ? 79 TYR H H 1 ATOM 1216 H HA . TYR A 1 80 ? 30.144 -64.927 -9.396 1.00 35.66 ? 79 TYR H HA 1 ATOM 1217 H HB2 . TYR A 1 80 ? 28.741 -66.850 -10.933 1.00 35.09 ? 79 TYR H HB2 1 ATOM 1218 H HB3 . TYR A 1 80 ? 28.982 -65.353 -11.400 1.00 35.09 ? 79 TYR H HB3 1 ATOM 1219 H HD1 . TYR A 1 80 ? 31.427 -64.663 -11.750 1.00 37.84 ? 79 TYR H HD1 1 ATOM 1220 H HD2 . TYR A 1 80 ? 30.287 -68.492 -11.576 1.00 42.89 ? 79 TYR H HD2 1 ATOM 1221 H HE1 . TYR A 1 80 ? 33.400 -65.294 -12.761 1.00 46.21 ? 79 TYR H HE1 1 ATOM 1222 H HE2 . TYR A 1 80 ? 32.258 -69.127 -12.586 1.00 50.44 ? 79 TYR H HE2 1 ATOM 1223 H HH . TYR A 1 80 ? 34.834 -67.415 -12.914 1.00 68.12 ? 79 TYR H HH 1 ATOM 1224 N N . LEU A 1 81 ? 27.873 -63.884 -9.290 1.00 28.21 ? 80 LEU H N 1 ATOM 1225 C CA . LEU A 1 81 ? 26.565 -63.296 -9.041 1.00 29.03 ? 80 LEU H CA 1 ATOM 1226 C C . LEU A 1 81 ? 26.190 -62.405 -10.212 1.00 29.95 ? 80 LEU H C 1 ATOM 1227 O O . LEU A 1 81 ? 26.790 -61.352 -10.420 1.00 33.76 ? 80 LEU H O 1 ATOM 1228 C CB . LEU A 1 81 ? 26.561 -62.487 -7.744 1.00 27.13 ? 80 LEU H CB 1 ATOM 1229 C CG . LEU A 1 81 ? 25.190 -61.944 -7.332 1.00 28.06 ? 80 LEU H CG 1 ATOM 1230 C CD1 . LEU A 1 81 ? 24.219 -63.083 -7.054 1.00 26.68 ? 80 LEU H CD1 1 ATOM 1231 C CD2 . LEU A 1 81 ? 25.309 -61.036 -6.120 1.00 29.31 ? 80 LEU H CD2 1 ATOM 1232 H H . LEU A 1 81 ? 28.427 -63.351 -9.674 1.00 33.86 ? 80 LEU H H 1 ATOM 1233 H HA . LEU A 1 81 ? 25.896 -64.008 -8.965 1.00 34.84 ? 80 LEU H HA 1 ATOM 1234 H HB2 . LEU A 1 81 ? 26.880 -63.054 -7.025 1.00 32.56 ? 80 LEU H HB2 1 ATOM 1235 H HB3 . LEU A 1 81 ? 27.157 -61.729 -7.850 1.00 32.56 ? 80 LEU H HB3 1 ATOM 1236 H HG . LEU A 1 81 ? 24.830 -61.418 -8.063 1.00 33.67 ? 80 LEU H HG 1 ATOM 1237 H HD11 . LEU A 1 81 ? 23.370 -62.714 -6.799 1.00 32.01 ? 80 LEU H HD11 1 ATOM 1238 H HD12 . LEU A 1 81 ? 24.121 -63.611 -7.850 1.00 32.01 ? 80 LEU H HD12 1 ATOM 1239 H HD13 . LEU A 1 81 ? 24.568 -63.624 -6.343 1.00 32.01 ? 80 LEU H HD13 1 ATOM 1240 H HD21 . LEU A 1 81 ? 24.436 -60.712 -5.886 1.00 35.18 ? 80 LEU H HD21 1 ATOM 1241 H HD22 . LEU A 1 81 ? 25.679 -61.537 -5.389 1.00 35.18 ? 80 LEU H HD22 1 ATOM 1242 H HD23 . LEU A 1 81 ? 25.885 -60.299 -6.337 1.00 35.18 ? 80 LEU H HD23 1 ATOM 1243 N N . GLN A 1 82 ? 25.196 -62.838 -10.976 1.00 29.85 ? 81 GLN H N 1 ATOM 1244 C CA . GLN A 1 82 ? 24.773 -62.115 -12.166 1.00 31.49 ? 81 GLN H CA 1 ATOM 1245 C C . GLN A 1 82 ? 23.571 -61.234 -11.862 1.00 29.48 ? 81 GLN H C 1 ATOM 1246 O O . GLN A 1 82 ? 22.523 -61.724 -11.443 1.00 30.60 ? 81 GLN H O 1 ATOM 1247 C CB . GLN A 1 82 ? 24.428 -63.101 -13.285 1.00 32.30 ? 81 GLN H CB 1 ATOM 1248 C CG . GLN A 1 82 ? 23.972 -62.436 -14.573 1.00 30.82 ? 81 GLN H CG 1 ATOM 1249 C CD . GLN A 1 82 ? 25.065 -61.609 -15.217 1.00 33.13 ? 81 GLN H CD 1 ATOM 1250 O OE1 . GLN A 1 82 ? 26.109 -62.135 -15.602 1.00 37.86 ? 81 GLN H OE1 1 ATOM 1251 N NE2 . GLN A 1 82 ? 24.833 -60.306 -15.333 1.00 33.89 ? 81 GLN H NE2 1 ATOM 1252 H H . GLN A 1 82 ? 24.745 -63.555 -10.825 1.00 35.82 ? 81 GLN H H 1 ATOM 1253 H HA . GLN A 1 82 ? 25.506 -61.542 -12.474 1.00 37.79 ? 81 GLN H HA 1 ATOM 1254 H HB2 . GLN A 1 82 ? 25.215 -63.631 -13.488 1.00 38.76 ? 81 GLN H HB2 1 ATOM 1255 H HB3 . GLN A 1 82 ? 23.712 -63.680 -12.981 1.00 38.76 ? 81 GLN H HB3 1 ATOM 1256 H HG2 . GLN A 1 82 ? 23.701 -63.120 -15.205 1.00 36.99 ? 81 GLN H HG2 1 ATOM 1257 H HG3 . GLN A 1 82 ? 23.225 -61.848 -14.379 1.00 36.99 ? 81 GLN H HG3 1 ATOM 1258 H HE21 . GLN A 1 82 ? 24.092 -59.975 -15.049 1.00 40.67 ? 81 GLN H HE21 1 ATOM 1259 H HE22 . GLN A 1 82 ? 25.423 -59.795 -15.692 1.00 40.67 ? 81 GLN H HE22 1 ATOM 1260 N N . PHE A 1 83 ? 23.731 -59.933 -12.080 1.00 28.68 ? 82 PHE H N 1 ATOM 1261 C CA . PHE A 1 83 ? 22.651 -58.974 -11.880 1.00 31.45 ? 82 PHE H CA 1 ATOM 1262 C C . PHE A 1 83 ? 21.914 -58.693 -13.183 1.00 33.04 ? 82 PHE H C 1 ATOM 1263 O O . PHE A 1 83 ? 22.467 -58.848 -14.271 1.00 40.75 ? 82 PHE H O 1 ATOM 1264 C CB . PHE A 1 83 ? 23.198 -57.655 -11.333 1.00 33.18 ? 82 PHE H CB 1 ATOM 1265 C CG . PHE A 1 83 ? 23.642 -57.724 -9.903 1.00 33.69 ? 82 PHE H CG 1 ATOM 1266 C CD1 . PHE A 1 83 ? 22.714 -57.854 -8.882 1.00 33.42 ? 82 PHE H CD1 1 ATOM 1267 C CD2 . PHE A 1 83 ? 24.984 -57.636 -9.576 1.00 34.09 ? 82 PHE H CD2 1 ATOM 1268 C CE1 . PHE A 1 83 ? 23.120 -57.907 -7.562 1.00 31.26 ? 82 PHE H CE1 1 ATOM 1269 C CE2 . PHE A 1 83 ? 25.395 -57.688 -8.258 1.00 32.96 ? 82 PHE H CE2 1 ATOM 1270 C CZ . PHE A 1 83 ? 24.462 -57.824 -7.251 1.00 30.55 ? 82 PHE H CZ 1 ATOM 1271 H H . PHE A 1 83 ? 24.466 -59.576 -12.348 1.00 34.42 ? 82 PHE H H 1 ATOM 1272 H HA . PHE A 1 83 ? 22.010 -59.336 -11.233 1.00 37.74 ? 82 PHE H HA 1 ATOM 1273 H HB2 . PHE A 1 83 ? 23.963 -57.389 -11.867 1.00 39.81 ? 82 PHE H HB2 1 ATOM 1274 H HB3 . PHE A 1 83 ? 22.505 -56.980 -11.396 1.00 39.81 ? 82 PHE H HB3 1 ATOM 1275 H HD1 . PHE A 1 83 ? 21.809 -57.910 -9.088 1.00 40.10 ? 82 PHE H HD1 1 ATOM 1276 H HD2 . PHE A 1 83 ? 25.617 -57.544 -10.252 1.00 40.91 ? 82 PHE H HD2 1 ATOM 1277 H HE1 . PHE A 1 83 ? 22.490 -57.999 -6.884 1.00 37.52 ? 82 PHE H HE1 1 ATOM 1278 H HE2 . PHE A 1 83 ? 26.300 -57.633 -8.050 1.00 39.55 ? 82 PHE H HE2 1 ATOM 1279 H HZ . PHE A 1 83 ? 24.737 -57.861 -6.363 1.00 36.66 ? 82 PHE H HZ 1 ATOM 1280 N N . SER A 1 84 A 20.661 -58.270 -13.059 1.00 32.20 ? 82 SER H N 1 ATOM 1281 C CA . SER A 1 84 A 19.876 -57.822 -14.202 1.00 36.04 ? 82 SER H CA 1 ATOM 1282 C C . SER A 1 84 A 18.669 -57.028 -13.714 1.00 31.57 ? 82 SER H C 1 ATOM 1283 O O . SER A 1 84 A 18.177 -57.247 -12.606 1.00 32.23 ? 82 SER H O 1 ATOM 1284 C CB . SER A 1 84 A 19.426 -59.009 -15.056 1.00 42.18 ? 82 SER H CB 1 ATOM 1285 O OG . SER A 1 84 A 18.676 -59.938 -14.294 1.00 45.45 ? 82 SER H OG 1 ATOM 1286 H H . SER A 1 84 A 20.237 -58.232 -12.312 1.00 38.64 ? 82 SER H H 1 ATOM 1287 H HA . SER A 1 84 A 20.425 -57.233 -14.760 1.00 43.25 ? 82 SER H HA 1 ATOM 1288 H HB2 . SER A 1 84 A 18.874 -58.682 -15.784 1.00 50.62 ? 82 SER H HB2 1 ATOM 1289 H HB3 . SER A 1 84 A 20.210 -59.455 -15.412 1.00 50.62 ? 82 SER H HB3 1 ATOM 1290 H HG . SER A 1 84 A 18.611 -59.678 -13.519 1.00 54.54 ? 82 SER H HG 1 ATOM 1291 N N . SER A 1 85 B 18.206 -56.097 -14.542 1.00 24.44 ? 82 SER H N 1 ATOM 1292 C CA . SER A 1 85 B 17.062 -55.260 -14.199 1.00 26.30 ? 82 SER H CA 1 ATOM 1293 C C . SER A 1 85 B 17.300 -54.548 -12.880 1.00 24.74 ? 82 SER H C 1 ATOM 1294 O O . SER A 1 85 B 16.382 -54.378 -12.076 1.00 28.44 ? 82 SER H O 1 ATOM 1295 C CB . SER A 1 85 B 15.793 -56.105 -14.110 1.00 28.72 ? 82 SER H CB 1 ATOM 1296 O OG . SER A 1 85 B 15.575 -56.805 -15.323 1.00 29.32 ? 82 SER H OG 1 ATOM 1297 H H . SER A 1 85 B 18.540 -55.930 -15.316 1.00 29.33 ? 82 SER H H 1 ATOM 1298 H HA . SER A 1 85 B 16.934 -54.583 -14.897 1.00 31.55 ? 82 SER H HA 1 ATOM 1299 H HB2 . SER A 1 85 B 15.890 -56.746 -13.388 1.00 34.47 ? 82 SER H HB2 1 ATOM 1300 H HB3 . SER A 1 85 B 15.036 -55.524 -13.939 1.00 34.47 ? 82 SER H HB3 1 ATOM 1301 H HG . SER A 1 85 B 14.892 -57.256 -15.267 1.00 35.19 ? 82 SER H HG 1 ATOM 1302 N N . LEU A 1 86 C 18.539 -54.125 -12.667 1.00 23.62 ? 82 LEU H N 1 ATOM 1303 C CA . LEU A 1 86 C 18.944 -53.570 -11.385 1.00 28.82 ? 82 LEU H CA 1 ATOM 1304 C C . LEU A 1 86 C 18.126 -52.345 -11.003 1.00 31.53 ? 82 LEU H C 1 ATOM 1305 O O . LEU A 1 86 C 17.723 -51.556 -11.856 1.00 31.30 ? 82 LEU H O 1 ATOM 1306 C CB . LEU A 1 86 C 20.435 -53.227 -11.399 1.00 29.14 ? 82 LEU H CB 1 ATOM 1307 C CG . LEU A 1 86 C 21.371 -54.373 -11.011 1.00 31.06 ? 82 LEU H CG 1 ATOM 1308 C CD1 . LEU A 1 86 C 22.822 -53.982 -11.217 1.00 32.00 ? 82 LEU H CD1 1 ATOM 1309 C CD2 . LEU A 1 86 C 21.136 -54.777 -9.566 1.00 26.98 ? 82 LEU H CD2 1 ATOM 1310 H H . LEU A 1 86 C 19.168 -54.149 -13.253 1.00 28.34 ? 82 LEU H H 1 ATOM 1311 H HA . LEU A 1 86 C 18.803 -54.249 -10.692 1.00 34.59 ? 82 LEU H HA 1 ATOM 1312 H HB2 . LEU A 1 86 C 20.677 -52.942 -12.294 1.00 34.97 ? 82 LEU H HB2 1 ATOM 1313 H HB3 . LEU A 1 86 C 20.590 -52.500 -10.775 1.00 34.97 ? 82 LEU H HB3 1 ATOM 1314 H HG . LEU A 1 86 C 21.183 -55.141 -11.574 1.00 37.28 ? 82 LEU H HG 1 ATOM 1315 H HD11 . LEU A 1 86 C 23.383 -54.720 -10.966 1.00 38.40 ? 82 LEU H HD11 1 ATOM 1316 H HD12 . LEU A 1 86 C 22.959 -53.767 -12.142 1.00 38.40 ? 82 LEU H HD12 1 ATOM 1317 H HD13 . LEU A 1 86 C 23.020 -53.219 -10.669 1.00 38.40 ? 82 LEU H HD13 1 ATOM 1318 H HD21 . LEU A 1 86 C 21.732 -55.496 -9.343 1.00 32.38 ? 82 LEU H HD21 1 ATOM 1319 H HD22 . LEU A 1 86 C 21.307 -54.022 -8.999 1.00 32.38 ? 82 LEU H HD22 1 ATOM 1320 H HD23 . LEU A 1 86 C 20.225 -55.063 -9.466 1.00 32.38 ? 82 LEU H HD23 1 ATOM 1321 N N . LYS A 1 87 ? 17.876 -52.208 -9.707 1.00 30.91 ? 83 LYS H N 1 ATOM 1322 C CA . LYS A 1 87 ? 17.167 -51.053 -9.179 1.00 32.25 ? 83 LYS H CA 1 ATOM 1323 C C . LYS A 1 87 ? 18.142 -50.130 -8.467 1.00 28.58 ? 83 LYS H C 1 ATOM 1324 O O . LYS A 1 87 ? 19.141 -50.585 -7.909 1.00 30.02 ? 83 LYS H O 1 ATOM 1325 C CB . LYS A 1 87 ? 16.086 -51.500 -8.196 1.00 32.11 ? 83 LYS H CB 1 ATOM 1326 C CG . LYS A 1 87 ? 15.076 -52.462 -8.789 1.00 35.72 ? 83 LYS H CG 1 ATOM 1327 C CD . LYS A 1 87 ? 13.926 -52.719 -7.833 1.00 43.09 ? 83 LYS H CD 1 ATOM 1328 C CE . LYS A 1 87 ? 12.880 -53.620 -8.465 1.00 55.38 ? 83 LYS H CE 1 ATOM 1329 N NZ . LYS A 1 87 ? 11.676 -53.771 -7.606 1.00 65.72 ? 83 LYS H NZ 1 ATOM 1330 H H . LYS A 1 87 ? 18.109 -52.778 -9.107 1.00 37.09 ? 83 LYS H H 1 ATOM 1331 H HA . LYS A 1 87 ? 16.743 -50.560 -9.912 1.00 38.70 ? 83 LYS H HA 1 ATOM 1332 H HB2 . LYS A 1 87 ? 16.511 -51.943 -7.445 1.00 38.53 ? 83 LYS H HB2 1 ATOM 1333 H HB3 . LYS A 1 87 ? 15.604 -50.718 -7.886 1.00 38.53 ? 83 LYS H HB3 1 ATOM 1334 H HG2 . LYS A 1 87 ? 14.714 -52.083 -9.605 1.00 42.86 ? 83 LYS H HG2 1 ATOM 1335 H HG3 . LYS A 1 87 ? 15.511 -53.308 -8.975 1.00 42.86 ? 83 LYS H HG3 1 ATOM 1336 H HD2 . LYS A 1 87 ? 14.262 -53.156 -7.035 1.00 51.71 ? 83 LYS H HD2 1 ATOM 1337 H HD3 . LYS A 1 87 ? 13.504 -51.876 -7.603 1.00 51.71 ? 83 LYS H HD3 1 ATOM 1338 H HE2 . LYS A 1 87 ? 12.600 -53.237 -9.311 1.00 66.46 ? 83 LYS H HE2 1 ATOM 1339 H HE3 . LYS A 1 87 ? 13.262 -54.500 -8.607 1.00 66.46 ? 83 LYS H HE3 1 ATOM 1340 H HZ1 . LYS A 1 87 ? 11.084 -54.304 -8.004 1.00 78.86 ? 83 LYS H HZ1 1 ATOM 1341 H HZ2 . LYS A 1 87 ? 11.904 -54.127 -6.823 1.00 78.86 ? 83 LYS H HZ2 1 ATOM 1342 H HZ3 . LYS A 1 87 ? 11.301 -52.977 -7.465 1.00 78.86 ? 83 LYS H HZ3 1 ATOM 1343 N N . VAL A 1 88 ? 17.847 -48.833 -8.488 1.00 25.35 ? 84 VAL H N 1 ATOM 1344 C CA . VAL A 1 88 ? 18.621 -47.861 -7.726 1.00 25.50 ? 84 VAL H CA 1 ATOM 1345 C C . VAL A 1 88 ? 18.763 -48.346 -6.284 1.00 25.13 ? 84 VAL H C 1 ATOM 1346 O O . VAL A 1 88 ? 19.789 -48.129 -5.643 1.00 24.98 ? 84 VAL H O 1 ATOM 1347 C CB . VAL A 1 88 ? 17.942 -46.472 -7.731 1.00 29.02 ? 84 VAL H CB 1 ATOM 1348 C CG1 . VAL A 1 88 ? 18.595 -45.548 -6.715 1.00 25.97 ? 84 VAL H CG1 1 ATOM 1349 C CG2 . VAL A 1 88 ? 17.988 -45.854 -9.123 1.00 30.28 ? 84 VAL H CG2 1 ATOM 1350 H H . VAL A 1 88 ? 17.200 -48.490 -8.938 1.00 30.42 ? 84 VAL H H 1 ATOM 1351 H HA . VAL A 1 88 ? 19.516 -47.774 -8.116 1.00 30.59 ? 84 VAL H HA 1 ATOM 1352 H HB . VAL A 1 88 ? 17.001 -46.578 -7.479 1.00 34.82 ? 84 VAL H HB 1 ATOM 1353 H HG11 . VAL A 1 88 ? 18.154 -44.695 -6.740 1.00 31.16 ? 84 VAL H HG11 1 ATOM 1354 H HG12 . VAL A 1 88 ? 18.510 -45.935 -5.840 1.00 31.16 ? 84 VAL H HG12 1 ATOM 1355 H HG13 . VAL A 1 88 ? 19.523 -45.444 -6.938 1.00 31.16 ? 84 VAL H HG13 1 ATOM 1356 H HG21 . VAL A 1 88 ? 17.560 -44.994 -9.097 1.00 36.34 ? 84 VAL H HG21 1 ATOM 1357 H HG22 . VAL A 1 88 ? 18.904 -45.756 -9.391 1.00 36.34 ? 84 VAL H HG22 1 ATOM 1358 H HG23 . VAL A 1 88 ? 17.526 -46.431 -9.736 1.00 36.34 ? 84 VAL H HG23 1 ATOM 1359 N N . GLU A 1 89 ? 17.732 -49.031 -5.797 1.00 31.75 ? 85 GLU H N 1 ATOM 1360 C CA . GLU A 1 89 ? 17.668 -49.455 -4.400 1.00 39.58 ? 85 GLU H CA 1 ATOM 1361 C C . GLU A 1 89 ? 18.663 -50.577 -4.099 1.00 37.82 ? 85 GLU H C 1 ATOM 1362 O O . GLU A 1 89 ? 19.020 -50.804 -2.944 1.00 40.23 ? 85 GLU H O 1 ATOM 1363 C CB . GLU A 1 89 ? 16.251 -49.924 -4.045 1.00 48.42 ? 85 GLU H CB 1 ATOM 1364 C CG . GLU A 1 89 ? 15.160 -48.880 -4.256 1.00 59.16 ? 85 GLU H CG 1 ATOM 1365 C CD . GLU A 1 89 ? 14.771 -48.721 -5.716 1.00 62.90 ? 85 GLU H CD 1 ATOM 1366 O OE1 . GLU A 1 89 ? 13.664 -49.162 -6.092 1.00 64.38 ? 85 GLU H OE1 1 ATOM 1367 O OE2 . GLU A 1 89 ? 15.574 -48.159 -6.490 1.00 62.19 ? 85 GLU H OE2 1 ATOM 1368 H H . GLU A 1 89 ? 17.048 -49.266 -6.261 1.00 38.10 ? 85 GLU H H 1 ATOM 1369 H HA . GLU A 1 89 ? 17.888 -48.693 -3.825 1.00 47.49 ? 85 GLU H HA 1 ATOM 1370 H HB2 . GLU A 1 89 ? 16.033 -50.692 -4.595 1.00 58.10 ? 85 GLU H HB2 1 ATOM 1371 H HB3 . GLU A 1 89 ? 16.236 -50.179 -3.109 1.00 58.10 ? 85 GLU H HB3 1 ATOM 1372 H HG2 . GLU A 1 89 ? 14.368 -49.147 -3.763 1.00 70.99 ? 85 GLU H HG2 1 ATOM 1373 H HG3 . GLU A 1 89 ? 15.477 -48.022 -3.935 1.00 70.99 ? 85 GLU H HG3 1 ATOM 1374 N N . ASP A 1 90 ? 19.107 -51.275 -5.141 1.00 32.20 ? 86 ASP H N 1 ATOM 1375 C CA . ASP A 1 90 ? 20.004 -52.418 -4.980 1.00 32.74 ? 86 ASP H CA 1 ATOM 1376 C C . ASP A 1 90 ? 21.445 -52.012 -4.673 1.00 30.67 ? 86 ASP H C 1 ATOM 1377 O O . ASP A 1 90 ? 22.297 -52.869 -4.436 1.00 35.04 ? 86 ASP H O 1 ATOM 1378 C CB . ASP A 1 90 ? 19.972 -53.290 -6.238 1.00 34.04 ? 86 ASP H CB 1 ATOM 1379 C CG . ASP A 1 90 ? 18.619 -53.938 -6.462 1.00 36.43 ? 86 ASP H CG 1 ATOM 1380 O OD1 . ASP A 1 90 ? 17.898 -54.170 -5.468 1.00 41.08 ? 86 ASP H OD1 1 ATOM 1381 O OD2 . ASP A 1 90 ? 18.275 -54.216 -7.631 1.00 32.28 ? 86 ASP H OD2 1 ATOM 1382 H H . ASP A 1 90 ? 18.903 -51.105 -5.958 1.00 38.64 ? 86 ASP H H 1 ATOM 1383 H HA . ASP A 1 90 ? 19.683 -52.964 -4.232 1.00 39.29 ? 86 ASP H HA 1 ATOM 1384 H HB2 . ASP A 1 90 ? 20.174 -52.739 -7.010 1.00 40.84 ? 86 ASP H HB2 1 ATOM 1385 H HB3 . ASP A 1 90 ? 20.632 -53.996 -6.150 1.00 40.84 ? 86 ASP H HB3 1 ATOM 1386 N N . THR A 1 91 ? 21.716 -50.711 -4.683 1.00 26.44 ? 87 THR H N 1 ATOM 1387 C CA . THR A 1 91 ? 23.045 -50.205 -4.359 1.00 28.11 ? 87 THR H CA 1 ATOM 1388 C C . THR A 1 91 ? 23.492 -50.725 -2.998 1.00 28.29 ? 87 THR H C 1 ATOM 1389 O O . THR A 1 91 ? 22.801 -50.536 -1.999 1.00 27.09 ? 87 THR H O 1 ATOM 1390 C CB . THR A 1 91 ? 23.058 -48.664 -4.336 1.00 29.05 ? 87 THR H CB 1 ATOM 1391 O OG1 . THR A 1 91 ? 22.855 -48.164 -5.663 1.00 34.13 ? 87 THR H OG1 1 ATOM 1392 C CG2 . THR A 1 91 ? 24.382 -48.138 -3.799 1.00 21.27 ? 87 THR H CG2 1 ATOM 1393 H H . THR A 1 91 ? 21.144 -50.098 -4.874 1.00 31.72 ? 87 THR H H 1 ATOM 1394 H HA . THR A 1 91 ? 23.685 -50.511 -5.035 1.00 33.74 ? 87 THR H HA 1 ATOM 1395 H HB . THR A 1 91 ? 22.346 -48.346 -3.759 1.00 34.86 ? 87 THR H HB 1 ATOM 1396 H HG1 . THR A 1 91 ? 22.132 -48.423 -5.953 1.00 40.96 ? 87 THR H HG1 1 ATOM 1397 H HG21 . THR A 1 91 ? 24.374 -47.178 -3.790 1.00 25.53 ? 87 THR H HG21 1 ATOM 1398 H HG22 . THR A 1 91 ? 24.522 -48.457 -2.904 1.00 25.53 ? 87 THR H HG22 1 ATOM 1399 H HG23 . THR A 1 91 ? 25.104 -48.440 -4.354 1.00 25.53 ? 87 THR H HG23 1 ATOM 1400 N N . ALA A 1 92 ? 24.650 -51.377 -2.956 1.00 27.96 ? 88 ALA H N 1 ATOM 1401 C CA . ALA A 1 92 ? 25.119 -51.984 -1.715 1.00 27.82 ? 88 ALA H CA 1 ATOM 1402 C C . ALA A 1 92 ? 26.531 -52.549 -1.824 1.00 28.00 ? 88 ALA H C 1 ATOM 1403 O O . ALA A 1 92 ? 27.086 -52.671 -2.915 1.00 27.16 ? 88 ALA H O 1 ATOM 1404 C CB . ALA A 1 92 ? 24.154 -53.088 -1.283 1.00 26.26 ? 88 ALA H CB 1 ATOM 1405 H H . ALA A 1 92 ? 25.179 -51.483 -3.626 1.00 33.56 ? 88 ALA H H 1 ATOM 1406 H HA . ALA A 1 92 ? 25.124 -51.300 -1.013 1.00 33.39 ? 88 ALA H HA 1 ATOM 1407 H HB1 . ALA A 1 92 ? 24.473 -53.479 -0.466 1.00 31.51 ? 88 ALA H HB1 1 ATOM 1408 H HB2 . ALA A 1 92 ? 23.284 -52.707 -1.146 1.00 31.51 ? 88 ALA H HB2 1 ATOM 1409 H HB3 . ALA A 1 92 ? 24.115 -53.755 -1.972 1.00 31.51 ? 88 ALA H HB3 1 ATOM 1410 N N . MET A 1 93 ? 27.102 -52.883 -0.670 1.00 28.77 ? 89 MET H N 1 ATOM 1411 C CA . MET A 1 93 ? 28.316 -53.683 -0.602 1.00 34.68 ? 89 MET H CA 1 ATOM 1412 C C . MET A 1 93 ? 27.904 -55.143 -0.660 1.00 34.20 ? 89 MET H C 1 ATOM 1413 O O . MET A 1 93 ? 27.023 -55.568 0.084 1.00 35.96 ? 89 MET H O 1 ATOM 1414 C CB . MET A 1 93 ? 29.058 -53.419 0.710 1.00 42.57 ? 89 MET H CB 1 ATOM 1415 C CG . MET A 1 93 ? 30.257 -52.504 0.575 1.00 51.42 ? 89 MET H CG 1 ATOM 1416 S SD . MET A 1 93 ? 31.738 -53.386 0.053 1.00 79.14 ? 89 MET H SD 1 ATOM 1417 C CE . MET A 1 93 ? 32.249 -54.113 1.607 1.00 55.91 ? 89 MET H CE 1 ATOM 1418 H H . MET A 1 93 ? 26.797 -52.652 0.100 1.00 34.53 ? 89 MET H H 1 ATOM 1419 H HA . MET A 1 93 ? 28.906 -53.467 -1.354 1.00 41.62 ? 89 MET H HA 1 ATOM 1420 H HB2 . MET A 1 93 ? 28.443 -53.009 1.338 1.00 51.08 ? 89 MET H HB2 1 ATOM 1421 H HB3 . MET A 1 93 ? 29.372 -54.266 1.065 1.00 51.08 ? 89 MET H HB3 1 ATOM 1422 H HG2 . MET A 1 93 ? 30.063 -51.823 -0.088 1.00 61.70 ? 89 MET H HG2 1 ATOM 1423 H HG3 . MET A 1 93 ? 30.439 -52.091 1.433 1.00 61.70 ? 89 MET H HG3 1 ATOM 1424 H HE1 . MET A 1 93 ? 33.049 -54.624 1.465 1.00 67.10 ? 89 MET H HE1 1 ATOM 1425 H HE2 . MET A 1 93 ? 32.416 -53.411 2.240 1.00 67.10 ? 89 MET H HE2 1 ATOM 1426 H HE3 . MET A 1 93 ? 31.548 -54.685 1.930 1.00 67.10 ? 89 MET H HE3 1 ATOM 1427 N N . PHE A 1 94 ? 28.533 -55.912 -1.541 1.00 31.08 ? 90 PHE H N 1 ATOM 1428 C CA . PHE A 1 94 ? 28.206 -57.328 -1.663 1.00 31.22 ? 90 PHE H CA 1 ATOM 1429 C C . PHE A 1 94 ? 29.333 -58.207 -1.135 1.00 32.55 ? 90 PHE H C 1 ATOM 1430 O O . PHE A 1 94 ? 30.485 -58.084 -1.551 1.00 32.34 ? 90 PHE H O 1 ATOM 1431 C CB . PHE A 1 94 ? 27.862 -57.682 -3.110 1.00 28.51 ? 90 PHE H CB 1 ATOM 1432 C CG . PHE A 1 94 ? 26.482 -57.254 -3.515 1.00 26.14 ? 90 PHE H CG 1 ATOM 1433 C CD1 . PHE A 1 94 ? 25.423 -58.144 -3.461 1.00 25.96 ? 90 PHE H CD1 1 ATOM 1434 C CD2 . PHE A 1 94 ? 26.239 -55.956 -3.930 1.00 26.90 ? 90 PHE H CD2 1 ATOM 1435 C CE1 . PHE A 1 94 ? 24.148 -57.752 -3.824 1.00 26.62 ? 90 PHE H CE1 1 ATOM 1436 C CE2 . PHE A 1 94 ? 24.967 -55.556 -4.295 1.00 28.23 ? 90 PHE H CE2 1 ATOM 1437 C CZ . PHE A 1 94 ? 23.920 -56.455 -4.240 1.00 27.18 ? 90 PHE H CZ 1 ATOM 1438 H H . PHE A 1 94 ? 29.148 -55.641 -2.078 1.00 37.30 ? 90 PHE H H 1 ATOM 1439 H HA . PHE A 1 94 ? 27.412 -57.511 -1.119 1.00 37.46 ? 90 PHE H HA 1 ATOM 1440 H HB2 . PHE A 1 94 ? 28.495 -57.243 -3.700 1.00 34.21 ? 90 PHE H HB2 1 ATOM 1441 H HB3 . PHE A 1 94 ? 27.920 -58.644 -3.221 1.00 34.21 ? 90 PHE H HB3 1 ATOM 1442 H HD1 . PHE A 1 94 ? 25.572 -59.018 -3.180 1.00 31.15 ? 90 PHE H HD1 1 ATOM 1443 H HD2 . PHE A 1 94 ? 26.941 -55.347 -3.968 1.00 32.28 ? 90 PHE H HD2 1 ATOM 1444 H HE1 . PHE A 1 94 ? 23.445 -58.360 -3.787 1.00 31.95 ? 90 PHE H HE1 1 ATOM 1445 H HE2 . PHE A 1 94 ? 24.816 -54.683 -4.576 1.00 33.87 ? 90 PHE H HE2 1 ATOM 1446 H HZ . PHE A 1 94 ? 23.064 -56.189 -4.487 1.00 32.61 ? 90 PHE H HZ 1 ATOM 1447 N N . PHE A 1 95 ? 28.975 -59.089 -0.207 1.00 30.74 ? 91 PHE H N 1 ATOM 1448 C CA . PHE A 1 95 ? 29.930 -59.962 0.460 1.00 27.81 ? 91 PHE H CA 1 ATOM 1449 C C . PHE A 1 95 ? 29.836 -61.396 -0.041 1.00 28.76 ? 91 PHE H C 1 ATOM 1450 O O . PHE A 1 95 ? 28.753 -61.907 -0.322 1.00 26.30 ? 91 PHE H O 1 ATOM 1451 C CB . PHE A 1 95 ? 29.678 -59.972 1.968 1.00 27.51 ? 91 PHE H CB 1 ATOM 1452 C CG . PHE A 1 95 ? 30.057 -58.699 2.659 1.00 29.37 ? 91 PHE H CG 1 ATOM 1453 C CD1 . PHE A 1 95 ? 31.365 -58.475 3.056 1.00 32.02 ? 91 PHE H CD1 1 ATOM 1454 C CD2 . PHE A 1 95 ? 29.103 -57.735 2.934 1.00 29.13 ? 91 PHE H CD2 1 ATOM 1455 C CE1 . PHE A 1 95 ? 31.717 -57.308 3.704 1.00 33.03 ? 91 PHE H CE1 1 ATOM 1456 C CE2 . PHE A 1 95 ? 29.447 -56.564 3.582 1.00 31.87 ? 91 PHE H CE2 1 ATOM 1457 C CZ . PHE A 1 95 ? 30.756 -56.349 3.968 1.00 31.84 ? 91 PHE H CZ 1 ATOM 1458 H H . PHE A 1 95 ? 28.165 -59.201 0.059 1.00 36.89 ? 91 PHE H H 1 ATOM 1459 H HA . PHE A 1 95 ? 30.839 -59.636 0.298 1.00 33.37 ? 91 PHE H HA 1 ATOM 1460 H HB2 . PHE A 1 95 ? 28.733 -60.124 2.125 1.00 33.02 ? 91 PHE H HB2 1 ATOM 1461 H HB3 . PHE A 1 95 ? 30.196 -60.690 2.365 1.00 33.02 ? 91 PHE H HB3 1 ATOM 1462 H HD1 . PHE A 1 95 ? 32.015 -59.117 2.881 1.00 38.42 ? 91 PHE H HD1 1 ATOM 1463 H HD2 . PHE A 1 95 ? 28.220 -57.875 2.676 1.00 34.95 ? 91 PHE H HD2 1 ATOM 1464 H HE1 . PHE A 1 95 ? 32.599 -57.166 3.962 1.00 39.64 ? 91 PHE H HE1 1 ATOM 1465 H HE2 . PHE A 1 95 ? 28.798 -55.921 3.757 1.00 38.24 ? 91 PHE H HE2 1 ATOM 1466 H HZ . PHE A 1 95 ? 30.990 -55.562 4.403 1.00 38.21 ? 91 PHE H HZ 1 ATOM 1467 N N . CYS A 1 96 ? 30.992 -62.041 -0.118 1.00 30.54 ? 92 CYS H N 1 ATOM 1468 C CA . CYS A 1 96 ? 31.086 -63.452 -0.440 1.00 31.32 ? 92 CYS H CA 1 ATOM 1469 C C . CYS A 1 96 ? 31.354 -64.184 0.873 1.00 32.11 ? 92 CYS H C 1 ATOM 1470 O O . CYS A 1 96 ? 32.330 -63.887 1.563 1.00 35.68 ? 92 CYS H O 1 ATOM 1471 C CB . CYS A 1 96 ? 32.223 -63.670 -1.443 1.00 32.07 ? 92 CYS H CB 1 ATOM 1472 S SG . CYS A 1 96 ? 32.508 -65.372 -1.962 1.00 71.56 ? 92 CYS H SG 1 ATOM 1473 H H . CYS A 1 96 ? 31.756 -61.669 0.016 1.00 36.65 ? 92 CYS H H 1 ATOM 1474 H HA . CYS A 1 96 ? 30.244 -63.772 -0.826 1.00 37.59 ? 92 CYS H HA 1 ATOM 1475 H HB2 . CYS A 1 96 ? 32.029 -63.153 -2.240 1.00 38.49 ? 92 CYS H HB2 1 ATOM 1476 H HB3 . CYS A 1 96 ? 33.046 -63.348 -1.044 1.00 38.49 ? 92 CYS H HB3 1 ATOM 1477 N N . ALA A 1 97 ? 30.477 -65.117 1.236 1.00 29.43 ? 93 ALA H N 1 ATOM 1478 C CA . ALA A 1 97 ? 30.619 -65.844 2.497 1.00 31.25 ? 93 ALA H CA 1 ATOM 1479 C C . ALA A 1 97 ? 30.448 -67.353 2.321 1.00 34.75 ? 93 ALA H C 1 ATOM 1480 O O . ALA A 1 97 ? 29.607 -67.804 1.547 1.00 37.82 ? 93 ALA H O 1 ATOM 1481 C CB . ALA A 1 97 ? 29.621 -65.322 3.516 1.00 28.70 ? 93 ALA H CB 1 ATOM 1482 H H . ALA A 1 97 ? 29.791 -65.348 0.771 1.00 35.31 ? 93 ALA H H 1 ATOM 1483 H HA . ALA A 1 97 ? 31.519 -65.686 2.851 1.00 37.51 ? 93 ALA H HA 1 ATOM 1484 H HB1 . ALA A 1 97 ? 29.728 -65.809 4.336 1.00 34.43 ? 93 ALA H HB1 1 ATOM 1485 H HB2 . ALA A 1 97 ? 29.788 -64.388 3.665 1.00 34.43 ? 93 ALA H HB2 1 ATOM 1486 H HB3 . ALA A 1 97 ? 28.733 -65.445 3.174 1.00 34.43 ? 93 ALA H HB3 1 ATOM 1487 N N . ARG A 1 98 ? 31.243 -68.127 3.055 1.00 33.39 ? 94 ARG H N 1 ATOM 1488 C CA . ARG A 1 98 ? 31.177 -69.583 2.982 1.00 30.11 ? 94 ARG H CA 1 ATOM 1489 C C . ARG A 1 98 ? 30.194 -70.158 3.990 1.00 30.54 ? 94 ARG H C 1 ATOM 1490 O O . ARG A 1 98 ? 30.157 -69.742 5.145 1.00 31.27 ? 94 ARG H O 1 ATOM 1491 C CB . ARG A 1 98 ? 32.553 -70.203 3.233 1.00 30.33 ? 94 ARG H CB 1 ATOM 1492 C CG . ARG A 1 98 ? 32.552 -71.726 3.139 1.00 32.76 ? 94 ARG H CG 1 ATOM 1493 C CD . ARG A 1 98 ? 33.932 -72.322 3.378 1.00 35.21 ? 94 ARG H CD 1 ATOM 1494 N NE . ARG A 1 98 ? 34.227 -72.506 4.797 1.00 34.25 ? 94 ARG H NE 1 ATOM 1495 C CZ . ARG A 1 98 ? 35.310 -73.124 5.260 1.00 39.87 ? 94 ARG H CZ 1 ATOM 1496 N NH1 . ARG A 1 98 ? 36.205 -73.624 4.419 1.00 43.38 ? 94 ARG H NH1 1 ATOM 1497 N NH2 . ARG A 1 98 ? 35.501 -73.250 6.567 1.00 41.31 ? 94 ARG H NH2 1 ATOM 1498 H H . ARG A 1 98 ? 31.834 -67.831 3.606 1.00 40.07 ? 94 ARG H H 1 ATOM 1499 H HA . ARG A 1 98 ? 30.883 -69.846 2.085 1.00 36.13 ? 94 ARG H HA 1 ATOM 1500 H HB2 . ARG A 1 98 ? 33.176 -69.864 2.572 1.00 36.39 ? 94 ARG H HB2 1 ATOM 1501 H HB3 . ARG A 1 98 ? 32.850 -69.959 4.124 1.00 36.39 ? 94 ARG H HB3 1 ATOM 1502 H HG2 . ARG A 1 98 ? 31.949 -72.085 3.809 1.00 39.32 ? 94 ARG H HG2 1 ATOM 1503 H HG3 . ARG A 1 98 ? 32.260 -71.989 2.252 1.00 39.32 ? 94 ARG H HG3 1 ATOM 1504 H HD2 . ARG A 1 98 ? 33.981 -73.189 2.946 1.00 42.25 ? 94 ARG H HD2 1 ATOM 1505 H HD3 . ARG A 1 98 ? 34.602 -71.727 3.006 1.00 42.25 ? 94 ARG H HD3 1 ATOM 1506 H HE . ARG A 1 98 ? 33.646 -72.229 5.368 1.00 41.10 ? 94 ARG H HE 1 ATOM 1507 H HH11 . ARG A 1 98 ? 36.087 -73.546 3.571 1.00 52.06 ? 94 ARG H HH11 1 ATOM 1508 H HH12 . ARG A 1 98 ? 36.903 -74.023 4.722 1.00 52.06 ? 94 ARG H HH12 1 ATOM 1509 H HH21 . ARG A 1 98 ? 34.925 -72.929 7.119 1.00 49.57 ? 94 ARG H HH21 1 ATOM 1510 H HH22 . ARG A 1 98 ? 36.202 -73.651 6.862 1.00 49.57 ? 94 ARG H HH22 1 ATOM 1511 N N . GLU A 1 99 ? 29.406 -71.131 3.545 1.00 29.46 ? 95 GLU H N 1 ATOM 1512 C CA . GLU A 1 99 ? 28.500 -71.842 4.432 1.00 26.98 ? 95 GLU H CA 1 ATOM 1513 C C . GLU A 1 99 ? 29.253 -72.935 5.172 1.00 30.81 ? 95 GLU H C 1 ATOM 1514 O O . GLU A 1 99 ? 29.778 -73.863 4.558 1.00 33.36 ? 95 GLU H O 1 ATOM 1515 C CB . GLU A 1 99 ? 27.348 -72.462 3.640 1.00 29.67 ? 95 GLU H CB 1 ATOM 1516 C CG . GLU A 1 99 ? 26.440 -73.374 4.458 1.00 36.09 ? 95 GLU H CG 1 ATOM 1517 C CD . GLU A 1 99 ? 25.779 -72.665 5.629 1.00 43.99 ? 95 GLU H CD 1 ATOM 1518 O OE1 . GLU A 1 99 ? 25.932 -71.433 5.754 1.00 44.95 ? 95 GLU H OE1 1 ATOM 1519 O OE2 . GLU A 1 99 ? 25.097 -73.343 6.427 1.00 48.95 ? 95 GLU H OE2 1 ATOM 1520 H H . GLU A 1 99 ? 29.379 -71.399 2.728 1.00 35.35 ? 95 GLU H H 1 ATOM 1521 H HA . GLU A 1 99 ? 28.127 -71.219 5.090 1.00 32.38 ? 95 GLU H HA 1 ATOM 1522 H HB2 . GLU A 1 99 ? 26.800 -71.748 3.278 1.00 35.61 ? 95 GLU H HB2 1 ATOM 1523 H HB3 . GLU A 1 99 ? 27.718 -72.989 2.914 1.00 35.61 ? 95 GLU H HB3 1 ATOM 1524 H HG2 . GLU A 1 99 ? 25.738 -73.718 3.883 1.00 43.31 ? 95 GLU H HG2 1 ATOM 1525 H HG3 . GLU A 1 99 ? 26.966 -74.108 4.812 1.00 43.31 ? 95 GLU H HG3 1 ATOM 1526 N N . ALA A 1 100 ? 29.304 -72.822 6.494 1.00 35.09 ? 96 ALA H N 1 ATOM 1527 C CA . ALA A 1 100 ? 29.945 -73.837 7.316 1.00 36.87 ? 96 ALA H CA 1 ATOM 1528 C C . ALA A 1 100 ? 29.200 -75.155 7.156 1.00 37.38 ? 96 ALA H C 1 ATOM 1529 O O . ALA A 1 100 ? 27.976 -75.172 7.035 1.00 37.27 ? 96 ALA H O 1 ATOM 1530 C CB . ALA A 1 100 ? 29.963 -73.406 8.774 1.00 34.08 ? 96 ALA H CB 1 ATOM 1531 H H . ALA A 1 100 ? 28.973 -72.165 6.940 1.00 42.11 ? 96 ALA H H 1 ATOM 1532 H HA . ALA A 1 100 ? 30.870 -73.964 7.017 1.00 44.25 ? 96 ALA H HA 1 ATOM 1533 H HB1 . ALA A 1 100 ? 30.390 -74.089 9.297 1.00 40.89 ? 96 ALA H HB1 1 ATOM 1534 H HB2 . ALA A 1 100 ? 30.451 -72.582 8.850 1.00 40.89 ? 96 ALA H HB2 1 ATOM 1535 H HB3 . ALA A 1 100 ? 29.060 -73.280 9.074 1.00 40.89 ? 96 ALA H HB3 1 ATOM 1536 N N . GLY A 1 101 ? 29.940 -76.257 7.148 1.00 38.04 ? 97 GLY H N 1 ATOM 1537 C CA . GLY A 1 101 ? 29.332 -77.565 6.999 1.00 36.70 ? 97 GLY H CA 1 ATOM 1538 C C . GLY A 1 101 ? 30.312 -78.708 7.164 1.00 41.05 ? 97 GLY H C 1 ATOM 1539 O O . GLY A 1 101 ? 31.518 -78.503 7.307 1.00 42.94 ? 97 GLY H O 1 ATOM 1540 H H . GLY A 1 101 ? 30.797 -76.271 7.226 1.00 45.64 ? 97 GLY H H 1 ATOM 1541 H HA2 . GLY A 1 101 ? 28.631 -77.668 7.661 1.00 44.04 ? 97 GLY H HA2 1 ATOM 1542 H HA3 . GLY A 1 101 ? 28.932 -77.633 6.118 1.00 44.04 ? 97 GLY H HA3 1 ATOM 1543 N N . GLY A 1 102 ? 29.779 -79.924 7.142 1.00 42.30 ? 98 GLY H N 1 ATOM 1544 C CA . GLY A 1 102 ? 30.580 -81.123 7.284 1.00 43.44 ? 98 GLY H CA 1 ATOM 1545 C C . GLY A 1 102 ? 29.684 -82.307 7.581 1.00 49.64 ? 98 GLY H C 1 ATOM 1546 O O . GLY A 1 102 ? 28.512 -82.306 7.203 1.00 55.51 ? 98 GLY H O 1 ATOM 1547 H H . GLY A 1 102 ? 28.939 -80.079 7.044 1.00 50.76 ? 98 GLY H H 1 ATOM 1548 H HA2 . GLY A 1 102 ? 31.069 -81.295 6.464 1.00 52.13 ? 98 GLY H HA2 1 ATOM 1549 H HA3 . GLY A 1 102 ? 31.213 -81.015 8.012 1.00 52.13 ? 98 GLY H HA3 1 ATOM 1550 N N . PRO A 1 103 ? 30.224 -83.325 8.266 1.00 48.74 ? 99 PRO H N 1 ATOM 1551 C CA . PRO A 1 103 ? 29.410 -84.478 8.655 1.00 50.37 ? 99 PRO H CA 1 ATOM 1552 C C . PRO A 1 103 ? 28.608 -84.200 9.918 1.00 51.05 ? 99 PRO H C 1 ATOM 1553 O O . PRO A 1 103 ? 28.926 -83.269 10.657 1.00 48.65 ? 99 PRO H O 1 ATOM 1554 C CB . PRO A 1 103 ? 30.456 -85.552 8.933 1.00 52.00 ? 99 PRO H CB 1 ATOM 1555 C CG . PRO A 1 103 ? 31.631 -84.787 9.440 1.00 51.64 ? 99 PRO H CG 1 ATOM 1556 C CD . PRO A 1 103 ? 31.623 -83.466 8.710 1.00 49.06 ? 99 PRO H CD 1 ATOM 1557 H HA . PRO A 1 103 ? 28.818 -84.759 7.927 1.00 60.44 ? 99 PRO H HA 1 ATOM 1558 H HB2 . PRO A 1 103 ? 30.126 -86.168 9.606 1.00 62.40 ? 99 PRO H HB2 1 ATOM 1559 H HB3 . PRO A 1 103 ? 30.675 -86.020 8.112 1.00 62.40 ? 99 PRO H HB3 1 ATOM 1560 H HG2 . PRO A 1 103 ? 31.538 -84.647 10.395 1.00 61.97 ? 99 PRO H HG2 1 ATOM 1561 H HG3 . PRO A 1 103 ? 32.445 -85.277 9.246 1.00 61.97 ? 99 PRO H HG3 1 ATOM 1562 H HD2 . PRO A 1 103 ? 31.860 -82.745 9.313 1.00 58.87 ? 99 PRO H HD2 1 ATOM 1563 H HD3 . PRO A 1 103 ? 32.218 -83.499 7.944 1.00 58.87 ? 99 PRO H HD3 1 ATOM 1564 N N . ILE A 1 104 ? 27.575 -85.002 10.155 1.00 54.01 ? 100 ILE H N 1 ATOM 1565 C CA . ILE A 1 104 ? 26.829 -84.937 11.405 1.00 55.23 ? 100 ILE H CA 1 ATOM 1566 C C . ILE A 1 104 ? 27.221 -86.129 12.267 1.00 61.18 ? 100 ILE H C 1 ATOM 1567 O O . ILE A 1 104 ? 27.146 -87.276 11.824 1.00 65.93 ? 100 ILE H O 1 ATOM 1568 C CB . ILE A 1 104 ? 25.309 -84.957 11.165 1.00 52.60 ? 100 ILE H CB 1 ATOM 1569 C CG1 . ILE A 1 104 ? 24.885 -83.751 10.323 1.00 52.15 ? 100 ILE H CG1 1 ATOM 1570 C CG2 . ILE A 1 104 ? 24.561 -84.972 12.492 1.00 51.09 ? 100 ILE H CG2 1 ATOM 1571 C CD1 . ILE A 1 104 ? 25.093 -82.417 11.007 1.00 50.45 ? 100 ILE H CD1 1 ATOM 1572 H H . ILE A 1 104 ? 27.286 -85.595 9.604 1.00 64.81 ? 100 ILE H H 1 ATOM 1573 H HA . ILE A 1 104 ? 27.060 -84.114 11.884 1.00 66.28 ? 100 ILE H HA 1 ATOM 1574 H HB . ILE A 1 104 ? 25.086 -85.766 10.677 1.00 63.12 ? 100 ILE H HB 1 ATOM 1575 H HG12 . ILE A 1 104 ? 25.402 -83.747 9.502 1.00 62.58 ? 100 ILE H HG12 1 ATOM 1576 H HG13 . ILE A 1 104 ? 23.941 -83.833 10.115 1.00 62.58 ? 100 ILE H HG13 1 ATOM 1577 H HG21 . ILE A 1 104 ? 23.617 -84.985 12.318 1.00 61.30 ? 100 ILE H HG21 1 ATOM 1578 H HG22 . ILE A 1 104 ? 24.814 -85.757 12.984 1.00 61.30 ? 100 ILE H HG22 1 ATOM 1579 H HG23 . ILE A 1 104 ? 24.792 -84.185 12.990 1.00 61.30 ? 100 ILE H HG23 1 ATOM 1580 H HD11 . ILE A 1 104 ? 24.805 -81.716 10.418 1.00 60.53 ? 100 ILE H HD11 1 ATOM 1581 H HD12 . ILE A 1 104 ? 24.578 -82.397 11.817 1.00 60.53 ? 100 ILE H HD12 1 ATOM 1582 H HD13 . ILE A 1 104 ? 26.026 -82.312 11.209 1.00 60.53 ? 100 ILE H HD13 1 ATOM 1583 N N . TRP A 1 105 A 27.645 -85.856 13.496 1.00 59.49 ? 100 TRP H N 1 ATOM 1584 C CA . TRP A 1 105 A 28.133 -86.905 14.384 1.00 59.30 ? 100 TRP H CA 1 ATOM 1585 C C . TRP A 1 105 A 27.023 -87.538 15.213 1.00 61.10 ? 100 TRP H C 1 ATOM 1586 O O . TRP A 1 105 A 26.316 -86.858 15.956 1.00 57.97 ? 100 TRP H O 1 ATOM 1587 C CB . TRP A 1 105 A 29.204 -86.353 15.325 1.00 60.24 ? 100 TRP H CB 1 ATOM 1588 C CG . TRP A 1 105 A 30.504 -86.044 14.651 1.00 65.72 ? 100 TRP H CG 1 ATOM 1589 C CD1 . TRP A 1 105 A 30.824 -84.908 13.965 1.00 70.15 ? 100 TRP H CD1 1 ATOM 1590 C CD2 . TRP A 1 105 A 31.668 -86.880 14.607 1.00 69.22 ? 100 TRP H CD2 1 ATOM 1591 N NE1 . TRP A 1 105 A 32.113 -84.987 13.494 1.00 71.42 ? 100 TRP H NE1 1 ATOM 1592 C CE2 . TRP A 1 105 A 32.652 -86.187 13.875 1.00 69.19 ? 100 TRP H CE2 1 ATOM 1593 C CE3 . TRP A 1 105 A 31.971 -88.148 15.114 1.00 76.48 ? 100 TRP H CE3 1 ATOM 1594 C CZ2 . TRP A 1 105 A 33.918 -86.719 13.637 1.00 70.71 ? 100 TRP H CZ2 1 ATOM 1595 C CZ3 . TRP A 1 105 A 33.229 -88.674 14.876 1.00 80.51 ? 100 TRP H CZ3 1 ATOM 1596 C CH2 . TRP A 1 105 A 34.186 -87.960 14.144 1.00 77.32 ? 100 TRP H CH2 1 ATOM 1597 H H . TRP A 1 105 A 27.659 -85.068 13.842 1.00 71.39 ? 100 TRP H H 1 ATOM 1598 H HA . TRP A 1 105 A 28.543 -87.611 13.843 1.00 71.16 ? 100 TRP H HA 1 ATOM 1599 H HB2 . TRP A 1 105 A 28.875 -85.532 15.724 1.00 72.29 ? 100 TRP H HB2 1 ATOM 1600 H HB3 . TRP A 1 105 A 29.378 -87.008 16.018 1.00 72.29 ? 100 TRP H HB3 1 ATOM 1601 H HD1 . TRP A 1 105 A 30.253 -84.186 13.835 1.00 84.18 ? 100 TRP H HD1 1 ATOM 1602 H HE1 . TRP A 1 105 A 32.515 -84.381 13.035 1.00 85.71 ? 100 TRP H HE1 1 ATOM 1603 H HE3 . TRP A 1 105 A 31.340 -88.627 15.602 1.00 91.78 ? 100 TRP H HE3 1 ATOM 1604 H HZ2 . TRP A 1 105 A 34.555 -86.248 13.151 1.00 84.85 ? 100 TRP H HZ2 1 ATOM 1605 H HZ3 . TRP A 1 105 A 33.443 -89.516 15.209 1.00 96.61 ? 100 TRP H HZ3 1 ATOM 1606 H HH2 . TRP A 1 105 A 35.023 -88.339 14.000 1.00 92.79 ? 100 TRP H HH2 1 ATOM 1607 N N . HIS A 1 106 B 26.879 -88.850 15.071 1.00 69.45 ? 100 HIS H N 1 ATOM 1608 C CA . HIS A 1 106 B 26.043 -89.644 15.961 1.00 80.47 ? 100 HIS H CA 1 ATOM 1609 C C . HIS A 1 106 B 26.921 -90.772 16.483 1.00 79.29 ? 100 HIS H C 1 ATOM 1610 O O . HIS A 1 106 B 27.279 -91.678 15.734 1.00 76.28 ? 100 HIS H O 1 ATOM 1611 C CB . HIS A 1 106 B 24.828 -90.201 15.218 1.00 95.82 ? 100 HIS H CB 1 ATOM 1612 C CG . HIS A 1 106 B 23.972 -89.148 14.585 1.00 105.37 ? 100 HIS H CG 1 ATOM 1613 N ND1 . HIS A 1 106 B 23.816 -87.889 15.129 1.00 106.70 ? 100 HIS H ND1 1 ATOM 1614 C CD2 . HIS A 1 106 B 23.230 -89.162 13.453 1.00 108.45 ? 100 HIS H CD2 1 ATOM 1615 C CE1 . HIS A 1 106 B 23.011 -87.178 14.360 1.00 105.02 ? 100 HIS H CE1 1 ATOM 1616 N NE2 . HIS A 1 106 B 22.642 -87.926 13.336 1.00 106.13 ? 100 HIS H NE2 1 ATOM 1617 H H . HIS A 1 106 B 27.262 -89.312 14.455 1.00 83.34 ? 100 HIS H H 1 ATOM 1618 H HA . HIS A 1 106 B 25.737 -89.098 16.715 1.00 96.56 ? 100 HIS H HA 1 ATOM 1619 H HB2 . HIS A 1 106 B 25.136 -90.794 14.516 1.00 114.98 ? 100 HIS H HB2 1 ATOM 1620 H HB3 . HIS A 1 106 B 24.277 -90.693 15.846 1.00 114.98 ? 100 HIS H HB3 1 ATOM 1621 H HD1 . HIS A 1 106 B 24.183 -87.612 15.856 1.00 128.04 ? 100 HIS H HD1 1 ATOM 1622 H HD2 . HIS A 1 106 B 23.135 -89.876 12.866 1.00 130.14 ? 100 HIS H HD2 1 ATOM 1623 H HE1 . HIS A 1 106 B 22.751 -86.298 14.513 1.00 126.02 ? 100 HIS H HE1 1 ATOM 1624 N N . ASP A 1 107 C 27.278 -90.702 17.762 1.00 86.03 ? 100 ASP H N 1 ATOM 1625 C CA . ASP A 1 107 C 28.334 -91.545 18.319 1.00 99.30 ? 100 ASP H CA 1 ATOM 1626 C C . ASP A 1 107 C 29.668 -91.104 17.704 1.00 100.42 ? 100 ASP H C 1 ATOM 1627 O O . ASP A 1 107 C 29.939 -89.906 17.614 1.00 96.87 ? 100 ASP H O 1 ATOM 1628 C CB . ASP A 1 107 C 28.062 -93.037 18.078 1.00 110.80 ? 100 ASP H CB 1 ATOM 1629 C CG . ASP A 1 107 C 26.825 -93.532 18.806 1.00 120.70 ? 100 ASP H CG 1 ATOM 1630 O OD1 . ASP A 1 107 C 25.961 -92.700 19.150 1.00 122.52 ? 100 ASP H OD1 1 ATOM 1631 O OD2 . ASP A 1 107 C 26.718 -94.755 19.037 1.00 126.78 ? 100 ASP H OD2 1 ATOM 1632 H H . ASP A 1 107 C 26.920 -90.170 18.334 1.00 103.24 ? 100 ASP H H 1 ATOM 1633 H HA . ASP A 1 107 C 28.383 -91.398 19.286 1.00 119.17 ? 100 ASP H HA 1 ATOM 1634 H HB2 . ASP A 1 107 C 27.931 -93.186 17.129 1.00 132.96 ? 100 ASP H HB2 1 ATOM 1635 H HB3 . ASP A 1 107 C 28.821 -93.552 18.393 1.00 132.96 ? 100 ASP H HB3 1 ATOM 1636 N N . ASP A 1 108 D 30.491 -92.055 17.270 1.00 104.22 ? 100 ASP H N 1 ATOM 1637 C CA . ASP A 1 108 D 31.798 -91.728 16.708 1.00 103.00 ? 100 ASP H CA 1 ATOM 1638 C C . ASP A 1 108 D 31.797 -91.888 15.192 1.00 91.04 ? 100 ASP H C 1 ATOM 1639 O O . ASP A 1 108 D 32.856 -91.914 14.564 1.00 86.92 ? 100 ASP H O 1 ATOM 1640 C CB . ASP A 1 108 D 32.880 -92.626 17.311 1.00 116.98 ? 100 ASP H CB 1 ATOM 1641 C CG . ASP A 1 108 D 32.869 -92.617 18.827 1.00 129.41 ? 100 ASP H CG 1 ATOM 1642 O OD1 . ASP A 1 108 D 32.420 -91.611 19.413 1.00 131.83 ? 100 ASP H OD1 1 ATOM 1643 O OD2 . ASP A 1 108 D 33.312 -93.616 19.430 1.00 136.56 ? 100 ASP H OD2 1 ATOM 1644 H H . ASP A 1 108 D 30.316 -92.897 17.291 1.00 125.07 ? 100 ASP H H 1 ATOM 1645 H HA . ASP A 1 108 D 32.018 -90.797 16.919 1.00 123.60 ? 100 ASP H HA 1 ATOM 1646 H HB2 . ASP A 1 108 D 32.734 -93.538 17.016 1.00 140.38 ? 100 ASP H HB2 1 ATOM 1647 H HB3 . ASP A 1 108 D 33.750 -92.316 17.016 1.00 140.38 ? 100 ASP H HB3 1 ATOM 1648 N N . VAL A 1 109 E 30.607 -91.992 14.606 1.00 86.36 ? 100 VAL H N 1 ATOM 1649 C CA . VAL A 1 109 E 30.481 -92.187 13.163 1.00 84.68 ? 100 VAL H CA 1 ATOM 1650 C C . VAL A 1 109 E 30.010 -90.908 12.476 1.00 79.96 ? 100 VAL H C 1 ATOM 1651 O O . VAL A 1 109 E 28.987 -90.331 12.844 1.00 81.62 ? 100 VAL H O 1 ATOM 1652 C CB . VAL A 1 109 E 29.528 -93.363 12.811 1.00 84.03 ? 100 VAL H CB 1 ATOM 1653 C CG1 . VAL A 1 109 E 28.308 -93.367 13.714 1.00 88.81 ? 100 VAL H CG1 1 ATOM 1654 C CG2 . VAL A 1 109 E 29.107 -93.305 11.342 1.00 77.55 ? 100 VAL H CG2 1 ATOM 1655 H H . VAL A 1 109 E 29.855 -91.952 15.022 1.00 103.63 ? 100 VAL H H 1 ATOM 1656 H HA . VAL A 1 109 E 31.365 -92.407 12.802 1.00 101.62 ? 100 VAL H HA 1 ATOM 1657 H HB . VAL A 1 109 E 30.005 -94.207 12.951 1.00 100.84 ? 100 VAL H HB 1 ATOM 1658 H HG11 . VAL A 1 109 E 27.742 -94.103 13.470 1.00 106.58 ? 100 VAL H HG11 1 ATOM 1659 H HG12 . VAL A 1 109 E 28.595 -93.462 14.625 1.00 106.58 ? 100 VAL H HG12 1 ATOM 1660 H HG13 . VAL A 1 109 E 27.835 -92.539 13.603 1.00 106.58 ? 100 VAL H HG13 1 ATOM 1661 H HG21 . VAL A 1 109 E 28.520 -94.042 11.157 1.00 93.06 ? 100 VAL H HG21 1 ATOM 1662 H HG22 . VAL A 1 109 E 28.653 -92.475 11.180 1.00 93.06 ? 100 VAL H HG22 1 ATOM 1663 H HG23 . VAL A 1 109 E 29.891 -93.363 10.791 1.00 93.06 ? 100 VAL H HG23 1 ATOM 1664 N N . LYS A 1 110 F 30.773 -90.473 11.479 1.00 72.83 ? 100 LYS H N 1 ATOM 1665 C CA . LYS A 1 110 F 30.453 -89.272 10.720 1.00 63.48 ? 100 LYS H CA 1 ATOM 1666 C C . LYS A 1 110 F 29.457 -89.587 9.612 1.00 60.80 ? 100 LYS H C 1 ATOM 1667 O O . LYS A 1 110 F 29.685 -90.483 8.801 1.00 59.49 ? 100 LYS H O 1 ATOM 1668 C CB . LYS A 1 110 F 31.727 -88.682 10.115 1.00 62.75 ? 100 LYS H CB 1 ATOM 1669 C CG . LYS A 1 110 F 32.704 -88.143 11.146 1.00 67.44 ? 100 LYS H CG 1 ATOM 1670 C CD . LYS A 1 110 F 33.990 -87.643 10.501 1.00 73.41 ? 100 LYS H CD 1 ATOM 1671 C CE . LYS A 1 110 F 34.846 -88.787 9.987 1.00 81.76 ? 100 LYS H CE 1 ATOM 1672 N NZ . LYS A 1 110 F 36.156 -88.305 9.470 1.00 84.71 ? 100 LYS H NZ 1 ATOM 1673 H H . LYS A 1 110 F 31.494 -90.864 11.219 1.00 87.39 ? 100 LYS H H 1 ATOM 1674 H HA . LYS A 1 110 F 30.053 -88.605 11.317 1.00 76.18 ? 100 LYS H HA 1 ATOM 1675 H HB2 . LYS A 1 110 F 32.182 -89.374 9.610 1.00 75.29 ? 100 LYS H HB2 1 ATOM 1676 H HB3 . LYS A 1 110 F 31.484 -87.951 9.527 1.00 75.29 ? 100 LYS H HB3 1 ATOM 1677 H HG2 . LYS A 1 110 F 32.293 -87.401 11.617 1.00 80.93 ? 100 LYS H HG2 1 ATOM 1678 H HG3 . LYS A 1 110 F 32.933 -88.850 11.769 1.00 80.93 ? 100 LYS H HG3 1 ATOM 1679 H HD2 . LYS A 1 110 F 33.769 -87.070 9.751 1.00 88.10 ? 100 LYS H HD2 1 ATOM 1680 H HD3 . LYS A 1 110 F 34.506 -87.150 11.158 1.00 88.10 ? 100 LYS H HD3 1 ATOM 1681 H HE2 . LYS A 1 110 F 35.016 -89.409 10.712 1.00 98.11 ? 100 LYS H HE2 1 ATOM 1682 H HE3 . LYS A 1 110 F 34.380 -89.235 9.264 1.00 98.11 ? 100 LYS H HE3 1 ATOM 1683 H HZ1 . LYS A 1 110 F 36.638 -88.993 9.175 1.00 101.65 ? 100 LYS H HZ1 1 ATOM 1684 H HZ2 . LYS A 1 110 F 36.026 -87.735 8.799 1.00 101.65 ? 100 LYS H HZ2 1 ATOM 1685 H HZ3 . LYS A 1 110 F 36.606 -87.893 10.118 1.00 101.65 ? 100 LYS H HZ3 1 ATOM 1686 N N . TYR A 1 111 G 28.354 -88.846 9.580 1.00 60.75 ? 100 TYR H N 1 ATOM 1687 C CA . TYR A 1 111 G 27.333 -89.036 8.555 1.00 58.49 ? 100 TYR H CA 1 ATOM 1688 C C . TYR A 1 111 G 27.391 -87.928 7.511 1.00 56.91 ? 100 TYR H C 1 ATOM 1689 O O . TYR A 1 111 G 27.299 -86.745 7.838 1.00 54.31 ? 100 TYR H O 1 ATOM 1690 C CB . TYR A 1 111 G 25.942 -89.085 9.187 1.00 57.98 ? 100 TYR H CB 1 ATOM 1691 C CG . TYR A 1 111 G 25.669 -90.364 9.943 1.00 63.99 ? 100 TYR H CG 1 ATOM 1692 C CD1 . TYR A 1 111 G 25.047 -91.439 9.322 1.00 71.21 ? 100 TYR H CD1 1 ATOM 1693 C CD2 . TYR A 1 111 G 26.040 -90.500 11.272 1.00 67.96 ? 100 TYR H CD2 1 ATOM 1694 C CE1 . TYR A 1 111 G 24.797 -92.612 10.006 1.00 78.10 ? 100 TYR H CE1 1 ATOM 1695 C CE2 . TYR A 1 111 G 25.794 -91.669 11.965 1.00 75.57 ? 100 TYR H CE2 1 ATOM 1696 C CZ . TYR A 1 111 G 25.174 -92.722 11.327 1.00 80.94 ? 100 TYR H CZ 1 ATOM 1697 O OH . TYR A 1 111 G 24.928 -93.887 12.016 1.00 85.77 ? 100 TYR H OH 1 ATOM 1698 H H . TYR A 1 111 G 28.172 -88.222 10.143 1.00 72.90 ? 100 TYR H H 1 ATOM 1699 H HA . TYR A 1 111 G 27.491 -89.890 8.101 1.00 70.19 ? 100 TYR H HA 1 ATOM 1700 H HB2 . TYR A 1 111 G 25.854 -88.347 9.811 1.00 69.58 ? 100 TYR H HB2 1 ATOM 1701 H HB3 . TYR A 1 111 G 25.276 -89.006 8.487 1.00 69.58 ? 100 TYR H HB3 1 ATOM 1702 H HD1 . TYR A 1 111 G 24.792 -91.367 8.431 1.00 85.45 ? 100 TYR H HD1 1 ATOM 1703 H HD2 . TYR A 1 111 G 26.459 -89.792 11.705 1.00 81.55 ? 100 TYR H HD2 1 ATOM 1704 H HE1 . TYR A 1 111 G 24.378 -93.323 9.578 1.00 93.72 ? 100 TYR H HE1 1 ATOM 1705 H HE2 . TYR A 1 111 G 26.047 -91.746 12.856 1.00 90.68 ? 100 TYR H HE2 1 ATOM 1706 H HH . TYR A 1 111 G 24.445 -93.735 12.661 1.00 102.92 ? 100 TYR H HH 1 HETATM 1707 N N . TYS A 1 112 H 27.549 -88.324 6.252 1.00 57.69 ? 100 TYS H N 1 HETATM 1708 C CA . TYS A 1 112 H 27.600 -87.374 5.151 1.00 53.97 ? 100 TYS H CA 1 HETATM 1709 C CB . TYS A 1 112 H 28.865 -87.596 4.314 1.00 57.72 ? 100 TYS H CB 1 HETATM 1710 C CG . TYS A 1 112 H 30.145 -87.336 5.081 1.00 64.23 ? 100 TYS H CG 1 HETATM 1711 C CD1 . TYS A 1 112 H 30.658 -88.284 5.954 1.00 71.73 ? 100 TYS H CD1 1 HETATM 1712 C CD2 . TYS A 1 112 H 30.832 -86.134 4.943 1.00 63.96 ? 100 TYS H CD2 1 HETATM 1713 C CE1 . TYS A 1 112 H 31.822 -88.049 6.663 1.00 75.78 ? 100 TYS H CE1 1 HETATM 1714 C CE2 . TYS A 1 112 H 31.999 -85.889 5.650 1.00 67.76 ? 100 TYS H CE2 1 HETATM 1715 C CZ . TYS A 1 112 H 32.495 -86.854 6.501 1.00 74.21 ? 100 TYS H CZ 1 HETATM 1716 O OH . TYS A 1 112 H 33.647 -86.635 7.229 1.00 76.95 ? 100 TYS H OH 1 HETATM 1717 S S . TYS A 1 112 H 34.941 -86.253 6.345 1.00 96.38 ? 100 TYS H S 1 HETATM 1718 O O1 . TYS A 1 112 H 35.529 -84.954 6.872 1.00 96.17 ? 100 TYS H O1 1 HETATM 1719 O O2 . TYS A 1 112 H 34.578 -86.082 4.878 1.00 101.65 ? 100 TYS H O2 1 HETATM 1720 O O3 . TYS A 1 112 H 35.977 -87.356 6.497 1.00 91.86 ? 100 TYS H O3 1 HETATM 1721 C C . TYS A 1 112 H 26.345 -87.493 4.290 1.00 53.18 ? 100 TYS H C 1 HETATM 1722 O O . TYS A 1 112 H 25.638 -88.497 4.342 1.00 51.85 ? 100 TYS H O 1 HETATM 1723 H H . TYS A 1 112 H 27.629 -89.145 6.009 1.00 69.23 ? 100 TYS H H 1 HETATM 1724 H HA . TYS A 1 112 H 27.633 -86.465 5.514 1.00 64.76 ? 100 TYS H HA 1 HETATM 1725 H HB2 . TYS A 1 112 H 28.847 -86.999 3.549 1.00 69.26 ? 100 TYS H HB2 1 HETATM 1726 H HD1 . TYS A 1 112 H 30.213 -89.093 6.063 1.00 86.07 ? 100 TYS H HD1 1 HETATM 1727 H HD2 . TYS A 1 112 H 30.503 -85.484 4.365 1.00 76.75 ? 100 TYS H HD2 1 HETATM 1728 H HE1 . TYS A 1 112 H 32.154 -88.696 7.241 1.00 90.94 ? 100 TYS H HE1 1 HETATM 1729 H HE2 . TYS A 1 112 H 32.449 -85.082 5.544 1.00 81.31 ? 100 TYS H HE2 1 ATOM 1730 N N . ASP A 1 113 I 26.072 -86.453 3.510 1.00 55.20 ? 100 ASP H N 1 ATOM 1731 C CA . ASP A 1 113 I 24.870 -86.383 2.686 1.00 55.04 ? 100 ASP H CA 1 ATOM 1732 C C . ASP A 1 113 I 25.074 -87.154 1.382 1.00 57.09 ? 100 ASP H C 1 ATOM 1733 O O . ASP A 1 113 I 26.104 -87.802 1.195 1.00 58.97 ? 100 ASP H O 1 ATOM 1734 C CB . ASP A 1 113 I 24.533 -84.915 2.399 1.00 54.71 ? 100 ASP H CB 1 ATOM 1735 C CG . ASP A 1 113 I 23.085 -84.710 2.000 1.00 59.80 ? 100 ASP H CG 1 ATOM 1736 O OD1 . ASP A 1 113 I 22.278 -85.649 2.163 1.00 63.50 ? 100 ASP H OD1 1 ATOM 1737 O OD2 . ASP A 1 113 I 22.753 -83.601 1.529 1.00 60.78 ? 100 ASP H OD2 1 ATOM 1738 H H . ASP A 1 113 I 26.578 -85.761 3.439 1.00 66.24 ? 100 ASP H H 1 ATOM 1739 H HA . ASP A 1 113 I 24.119 -86.785 3.170 1.00 66.05 ? 100 ASP H HA 1 ATOM 1740 H HB2 . ASP A 1 113 I 24.701 -84.391 3.198 1.00 65.65 ? 100 ASP H HB2 1 ATOM 1741 H HB3 . ASP A 1 113 I 25.092 -84.600 1.672 1.00 65.65 ? 100 ASP H HB3 1 ATOM 1742 N N . PHE A 1 114 J 24.088 -87.092 0.490 1.00 58.75 ? 100 PHE H N 1 ATOM 1743 C CA . PHE A 1 114 J 24.191 -87.735 -0.817 1.00 60.94 ? 100 PHE H CA 1 ATOM 1744 C C . PHE A 1 114 J 25.532 -87.433 -1.473 1.00 61.67 ? 100 PHE H C 1 ATOM 1745 O O . PHE A 1 114 J 25.995 -86.293 -1.458 1.00 60.36 ? 100 PHE H O 1 ATOM 1746 C CB . PHE A 1 114 J 23.060 -87.268 -1.734 1.00 59.95 ? 100 PHE H CB 1 ATOM 1747 C CG . PHE A 1 114 J 21.700 -87.732 -1.303 1.00 60.85 ? 100 PHE H CG 1 ATOM 1748 C CD1 . PHE A 1 114 J 21.359 -89.073 -1.376 1.00 63.37 ? 100 PHE H CD1 1 ATOM 1749 C CD2 . PHE A 1 114 J 20.758 -86.830 -0.834 1.00 58.83 ? 100 PHE H CD2 1 ATOM 1750 C CE1 . PHE A 1 114 J 20.109 -89.509 -0.982 1.00 64.25 ? 100 PHE H CE1 1 ATOM 1751 C CE2 . PHE A 1 114 J 19.504 -87.260 -0.439 1.00 60.24 ? 100 PHE H CE2 1 ATOM 1752 C CZ . PHE A 1 114 J 19.179 -88.601 -0.514 1.00 63.26 ? 100 PHE H CZ 1 ATOM 1753 H H . PHE A 1 114 J 23.344 -86.681 0.619 1.00 70.49 ? 100 PHE H H 1 ATOM 1754 H HA . PHE A 1 114 J 24.116 -88.706 -0.706 1.00 73.13 ? 100 PHE H HA 1 ATOM 1755 H HB2 . PHE A 1 114 J 23.050 -86.298 -1.750 1.00 71.95 ? 100 PHE H HB2 1 ATOM 1756 H HB3 . PHE A 1 114 J 23.220 -87.610 -2.628 1.00 71.95 ? 100 PHE H HB3 1 ATOM 1757 H HD1 . PHE A 1 114 J 21.982 -89.689 -1.690 1.00 76.04 ? 100 PHE H HD1 1 ATOM 1758 H HD2 . PHE A 1 114 J 20.973 -85.927 -0.782 1.00 70.59 ? 100 PHE H HD2 1 ATOM 1759 H HE1 . PHE A 1 114 J 19.892 -90.412 -1.034 1.00 77.10 ? 100 PHE H HE1 1 ATOM 1760 H HE2 . PHE A 1 114 J 18.880 -86.647 -0.124 1.00 72.29 ? 100 PHE H HE2 1 ATOM 1761 H HZ . PHE A 1 114 J 18.337 -88.892 -0.249 1.00 75.91 ? 100 PHE H HZ 1 ATOM 1762 N N . ASN A 1 115 K 26.149 -88.460 -2.047 1.00 64.76 ? 100 ASN H N 1 ATOM 1763 C CA . ASN A 1 115 K 27.431 -88.308 -2.722 1.00 67.12 ? 100 ASN H CA 1 ATOM 1764 C C . ASN A 1 115 K 28.528 -87.860 -1.759 1.00 66.18 ? 100 ASN H C 1 ATOM 1765 O O . ASN A 1 115 K 29.462 -87.162 -2.153 1.00 66.21 ? 100 ASN H O 1 ATOM 1766 C CB . ASN A 1 115 K 27.309 -87.316 -3.884 1.00 69.29 ? 100 ASN H CB 1 ATOM 1767 C CG . ASN A 1 115 K 26.253 -87.726 -4.895 1.00 78.32 ? 100 ASN H CG 1 ATOM 1768 O OD1 . ASN A 1 115 K 25.255 -87.030 -5.082 1.00 76.82 ? 100 ASN H OD1 1 ATOM 1769 N ND2 . ASN A 1 115 K 26.473 -88.856 -5.558 1.00 88.31 ? 100 ASN H ND2 1 ATOM 1770 H H . ASN A 1 115 K 25.841 -89.264 -2.059 1.00 77.72 ? 100 ASN H H 1 ATOM 1771 H HA . ASN A 1 115 K 27.696 -89.175 -3.095 1.00 80.55 ? 100 ASN H HA 1 ATOM 1772 H HB2 . ASN A 1 115 K 27.066 -86.445 -3.532 1.00 83.14 ? 100 ASN H HB2 1 ATOM 1773 H HB3 . ASN A 1 115 K 28.161 -87.262 -4.345 1.00 83.14 ? 100 ASN H HB3 1 ATOM 1774 H HD21 . ASN A 1 115 K 27.185 -89.314 -5.403 1.00 105.97 ? 100 ASN H HD21 1 ATOM 1775 H HD22 . ASN A 1 115 K 25.904 -89.130 -6.141 1.00 105.97 ? 100 ASN H HD22 1 ATOM 1776 N N . ASP A 1 116 L 28.411 -88.263 -0.496 1.00 67.54 ? 100 ASP H N 1 ATOM 1777 C CA . ASP A 1 116 L 29.423 -87.948 0.507 1.00 70.17 ? 100 ASP H CA 1 ATOM 1778 C C . ASP A 1 116 L 29.549 -86.437 0.708 1.00 58.47 ? 100 ASP H C 1 ATOM 1779 O O . ASP A 1 116 L 30.618 -85.935 1.054 1.00 56.87 ? 100 ASP H O 1 ATOM 1780 C CB . ASP A 1 116 L 30.775 -88.531 0.081 1.00 85.39 ? 100 ASP H CB 1 ATOM 1781 C CG . ASP A 1 116 L 31.570 -89.088 1.249 1.00 100.34 ? 100 ASP H CG 1 ATOM 1782 O OD1 . ASP A 1 116 L 32.788 -88.816 1.321 1.00 107.44 ? 100 ASP H OD1 1 ATOM 1783 O OD2 . ASP A 1 116 L 30.986 -89.810 2.084 1.00 105.16 ? 100 ASP H OD2 1 ATOM 1784 H H . ASP A 1 116 L 27.751 -88.724 -0.194 1.00 81.05 ? 100 ASP H H 1 ATOM 1785 H HA . ASP A 1 116 L 29.169 -88.353 1.363 1.00 84.20 ? 100 ASP H HA 1 ATOM 1786 H HB2 . ASP A 1 116 L 30.624 -89.252 -0.549 1.00 102.47 ? 100 ASP H HB2 1 ATOM 1787 H HB3 . ASP A 1 116 L 31.303 -87.831 -0.334 1.00 102.47 ? 100 ASP H HB3 1 ATOM 1788 N N . GLY A 1 117 M 28.454 -85.714 0.493 1.00 52.55 ? 100 GLY H N 1 ATOM 1789 C CA . GLY A 1 117 M 28.465 -84.267 0.608 1.00 50.87 ? 100 GLY H CA 1 ATOM 1790 C C . GLY A 1 117 M 28.231 -83.781 2.025 1.00 50.24 ? 100 GLY H C 1 ATOM 1791 O O . GLY A 1 117 M 27.545 -84.432 2.810 1.00 50.55 ? 100 GLY H O 1 ATOM 1792 H H . GLY A 1 117 M 27.689 -86.044 0.279 1.00 63.06 ? 100 GLY H H 1 ATOM 1793 H HA2 . GLY A 1 117 M 29.323 -83.928 0.307 1.00 61.04 ? 100 GLY H HA2 1 ATOM 1794 H HA3 . GLY A 1 117 M 27.773 -83.895 0.039 1.00 61.04 ? 100 GLY H HA3 1 ATOM 1795 N N . TYR A 1 118 N 28.806 -82.629 2.353 1.00 47.34 ? 100 TYR H N 1 ATOM 1796 C CA . TYR A 1 118 N 28.626 -82.031 3.670 1.00 45.81 ? 100 TYR H CA 1 ATOM 1797 C C . TYR A 1 118 N 27.171 -81.660 3.917 1.00 41.55 ? 100 TYR H C 1 ATOM 1798 O O . TYR A 1 118 N 26.447 -81.286 2.993 1.00 40.28 ? 100 TYR H O 1 ATOM 1799 C CB . TYR A 1 118 N 29.464 -80.756 3.798 1.00 47.52 ? 100 TYR H CB 1 ATOM 1800 C CG . TYR A 1 118 N 30.960 -80.962 3.912 1.00 48.69 ? 100 TYR H CG 1 ATOM 1801 C CD1 . TYR A 1 118 N 31.522 -82.234 3.913 1.00 48.02 ? 100 TYR H CD1 1 ATOM 1802 C CD2 . TYR A 1 118 N 31.813 -79.871 4.033 1.00 46.57 ? 100 TYR H CD2 1 ATOM 1803 C CE1 . TYR A 1 118 N 32.893 -82.408 4.023 1.00 49.31 ? 100 TYR H CE1 1 ATOM 1804 C CE2 . TYR A 1 118 N 33.178 -80.037 4.144 1.00 47.96 ? 100 TYR H CE2 1 ATOM 1805 C CZ . TYR A 1 118 N 33.714 -81.304 4.138 1.00 51.26 ? 100 TYR H CZ 1 ATOM 1806 O OH . TYR A 1 118 N 35.077 -81.463 4.250 1.00 57.41 ? 100 TYR H OH 1 ATOM 1807 H H . TYR A 1 118 N 29.309 -82.171 1.827 1.00 56.81 ? 100 TYR H H 1 ATOM 1808 H HA . TYR A 1 118 N 28.911 -82.664 4.362 1.00 54.97 ? 100 TYR H HA 1 ATOM 1809 H HB2 . TYR A 1 118 N 29.306 -80.206 3.015 1.00 57.03 ? 100 TYR H HB2 1 ATOM 1810 H HB3 . TYR A 1 118 N 29.176 -80.279 4.592 1.00 57.03 ? 100 TYR H HB3 1 ATOM 1811 H HD1 . TYR A 1 118 N 30.970 -82.979 3.835 1.00 57.62 ? 100 TYR H HD1 1 ATOM 1812 H HD2 . TYR A 1 118 N 31.456 -79.012 4.037 1.00 55.89 ? 100 TYR H HD2 1 ATOM 1813 H HE1 . TYR A 1 118 N 33.258 -83.264 4.020 1.00 59.18 ? 100 TYR H HE1 1 ATOM 1814 H HE2 . TYR A 1 118 N 33.734 -79.295 4.222 1.00 57.56 ? 100 TYR H HE2 1 ATOM 1815 H HH . TYR A 1 118 N 35.340 -81.140 4.956 1.00 68.90 ? 100 TYR H HH 1 ATOM 1816 N N . TYR A 1 119 O 26.749 -81.766 5.172 1.00 41.31 ? 100 TYR H N 1 ATOM 1817 C CA . TYR A 1 119 O 25.513 -81.140 5.612 1.00 42.32 ? 100 TYR H CA 1 ATOM 1818 C C . TYR A 1 119 O 25.847 -79.699 5.974 1.00 40.53 ? 100 TYR H C 1 ATOM 1819 O O . TYR A 1 119 O 27.000 -79.384 6.271 1.00 42.38 ? 100 TYR H O 1 ATOM 1820 C CB . TYR A 1 119 O 24.929 -81.865 6.827 1.00 42.84 ? 100 TYR H CB 1 ATOM 1821 C CG . TYR A 1 119 O 24.252 -83.181 6.507 1.00 45.91 ? 100 TYR H CG 1 ATOM 1822 C CD1 . TYR A 1 119 O 23.022 -83.211 5.862 1.00 44.94 ? 100 TYR H CD1 1 ATOM 1823 C CD2 . TYR A 1 119 O 24.833 -84.392 6.863 1.00 48.21 ? 100 TYR H CD2 1 ATOM 1824 C CE1 . TYR A 1 119 O 22.394 -84.404 5.572 1.00 46.02 ? 100 TYR H CE1 1 ATOM 1825 C CE2 . TYR A 1 119 O 24.210 -85.594 6.577 1.00 49.83 ? 100 TYR H CE2 1 ATOM 1826 C CZ . TYR A 1 119 O 22.992 -85.593 5.931 1.00 48.33 ? 100 TYR H CZ 1 ATOM 1827 O OH . TYR A 1 119 O 22.367 -86.782 5.642 1.00 49.19 ? 100 TYR H OH 1 ATOM 1828 H H . TYR A 1 119 O 27.164 -82.197 5.790 1.00 49.58 ? 100 TYR H H 1 ATOM 1829 H HA . TYR A 1 119 O 24.854 -81.145 4.886 1.00 50.78 ? 100 TYR H HA 1 ATOM 1830 H HB2 . TYR A 1 119 O 25.647 -82.049 7.453 1.00 51.40 ? 100 TYR H HB2 1 ATOM 1831 H HB3 . TYR A 1 119 O 24.270 -81.289 7.245 1.00 51.40 ? 100 TYR H HB3 1 ATOM 1832 H HD1 . TYR A 1 119 O 22.615 -82.411 5.618 1.00 53.93 ? 100 TYR H HD1 1 ATOM 1833 H HD2 . TYR A 1 119 O 25.655 -84.394 7.298 1.00 57.85 ? 100 TYR H HD2 1 ATOM 1834 H HE1 . TYR A 1 119 O 21.572 -84.406 5.137 1.00 55.23 ? 100 TYR H HE1 1 ATOM 1835 H HE2 . TYR A 1 119 O 24.612 -86.398 6.817 1.00 59.80 ? 100 TYR H HE2 1 ATOM 1836 H HH . TYR A 1 119 O 22.219 -87.197 6.333 1.00 59.02 ? 100 TYR H HH 1 ATOM 1837 N N . ASN A 1 120 P 24.849 -78.824 5.939 1.00 37.25 ? 100 ASN H N 1 ATOM 1838 C CA . ASN A 1 120 P 25.046 -77.439 6.348 1.00 40.23 ? 100 ASN H CA 1 ATOM 1839 C C . ASN A 1 120 P 25.010 -77.310 7.864 1.00 41.46 ? 100 ASN H C 1 ATOM 1840 O O . ASN A 1 120 P 24.215 -77.971 8.531 1.00 44.81 ? 100 ASN H O 1 ATOM 1841 C CB . ASN A 1 120 P 23.969 -76.539 5.745 1.00 42.75 ? 100 ASN H CB 1 ATOM 1842 C CG . ASN A 1 120 P 23.993 -76.531 4.232 1.00 42.82 ? 100 ASN H CG 1 ATOM 1843 O OD1 . ASN A 1 120 P 25.059 -76.525 3.616 1.00 42.92 ? 100 ASN H OD1 1 ATOM 1844 N ND2 . ASN A 1 120 P 22.810 -76.527 3.623 1.00 43.21 ? 100 ASN H ND2 1 ATOM 1845 H H . ASN A 1 120 P 24.049 -79.006 5.682 1.00 44.70 ? 100 ASN H H 1 ATOM 1846 H HA . ASN A 1 120 P 25.920 -77.128 6.032 1.00 48.28 ? 100 ASN H HA 1 ATOM 1847 H HB2 . ASN A 1 120 P 23.098 -76.855 6.029 1.00 51.30 ? 100 ASN H HB2 1 ATOM 1848 H HB3 . ASN A 1 120 P 24.109 -75.630 6.052 1.00 51.30 ? 100 ASN H HB3 1 ATOM 1849 H HD21 . ASN A 1 120 P 22.087 -76.530 4.088 1.00 51.86 ? 100 ASN H HD21 1 ATOM 1850 H HD22 . ASN A 1 120 P 22.770 -76.523 2.764 1.00 51.86 ? 100 ASN H HD22 1 ATOM 1851 N N . TYR A 1 121 Q 25.879 -76.457 8.399 1.00 39.85 ? 100 TYR H N 1 ATOM 1852 C CA . TYR A 1 121 Q 25.909 -76.171 9.830 1.00 37.56 ? 100 TYR H CA 1 ATOM 1853 C C . TYR A 1 121 Q 25.122 -74.903 10.143 1.00 33.57 ? 100 TYR H C 1 ATOM 1854 O O . TYR A 1 121 Q 24.925 -74.556 11.307 1.00 36.33 ? 100 TYR H O 1 ATOM 1855 C CB . TYR A 1 121 Q 27.353 -76.022 10.313 1.00 39.72 ? 100 TYR H CB 1 ATOM 1856 C CG . TYR A 1 121 Q 28.127 -77.325 10.381 1.00 43.88 ? 100 TYR H CG 1 ATOM 1857 C CD1 . TYR A 1 121 Q 29.512 -77.326 10.485 1.00 44.46 ? 100 TYR H CD1 1 ATOM 1858 C CD2 . TYR A 1 121 Q 27.474 -78.552 10.346 1.00 47.72 ? 100 TYR H CD2 1 ATOM 1859 C CE1 . TYR A 1 121 Q 30.224 -78.509 10.551 1.00 47.05 ? 100 TYR H CE1 1 ATOM 1860 C CE2 . TYR A 1 121 Q 28.180 -79.740 10.412 1.00 48.94 ? 100 TYR H CE2 1 ATOM 1861 C CZ . TYR A 1 121 Q 29.555 -79.710 10.515 1.00 48.71 ? 100 TYR H CZ 1 ATOM 1862 O OH . TYR A 1 121 Q 30.268 -80.883 10.585 1.00 50.97 ? 100 TYR H OH 1 ATOM 1863 H H . TYR A 1 121 Q 26.470 -76.025 7.947 1.00 47.82 ? 100 TYR H H 1 ATOM 1864 H HA . TYR A 1 121 Q 25.498 -76.915 10.316 1.00 45.07 ? 100 TYR H HA 1 ATOM 1865 H HB2 . TYR A 1 121 Q 27.825 -75.431 9.706 1.00 47.67 ? 100 TYR H HB2 1 ATOM 1866 H HB3 . TYR A 1 121 Q 27.345 -75.638 11.204 1.00 47.67 ? 100 TYR H HB3 1 ATOM 1867 H HD1 . TYR A 1 121 Q 29.968 -76.516 10.511 1.00 53.35 ? 100 TYR H HD1 1 ATOM 1868 H HD2 . TYR A 1 121 Q 26.547 -78.575 10.278 1.00 57.27 ? 100 TYR H HD2 1 ATOM 1869 H HE1 . TYR A 1 121 Q 31.152 -78.492 10.621 1.00 56.46 ? 100 TYR H HE1 1 ATOM 1870 H HE2 . TYR A 1 121 Q 27.730 -80.554 10.388 1.00 58.73 ? 100 TYR H HE2 1 ATOM 1871 H HH . TYR A 1 121 Q 30.137 -81.331 9.911 1.00 61.17 ? 100 TYR H HH 1 ATOM 1872 N N . HIS A 1 122 R 24.688 -74.212 9.094 1.00 30.49 ? 100 HIS H N 1 ATOM 1873 C CA . HIS A 1 122 R 23.794 -73.066 9.228 1.00 30.50 ? 100 HIS H CA 1 ATOM 1874 C C . HIS A 1 122 R 24.462 -71.861 9.885 1.00 33.60 ? 100 HIS H C 1 ATOM 1875 O O . HIS A 1 122 R 23.863 -71.184 10.722 1.00 36.37 ? 100 HIS H O 1 ATOM 1876 C CB . HIS A 1 122 R 22.534 -73.462 10.000 1.00 32.56 ? 100 HIS H CB 1 ATOM 1877 C CG . HIS A 1 122 R 21.824 -74.644 9.421 1.00 39.60 ? 100 HIS H CG 1 ATOM 1878 N ND1 . HIS A 1 122 R 21.405 -75.711 10.187 1.00 43.56 ? 100 HIS H ND1 1 ATOM 1879 C CD2 . HIS A 1 122 R 21.464 -74.932 8.148 1.00 42.89 ? 100 HIS H CD2 1 ATOM 1880 C CE1 . HIS A 1 122 R 20.817 -76.603 9.413 1.00 45.06 ? 100 HIS H CE1 1 ATOM 1881 N NE2 . HIS A 1 122 R 20.839 -76.155 8.170 1.00 44.21 ? 100 HIS H NE2 1 ATOM 1882 H H . HIS A 1 122 R 24.901 -74.391 8.280 1.00 36.59 ? 100 HIS H H 1 ATOM 1883 H HA . HIS A 1 122 R 23.512 -72.790 8.331 1.00 36.60 ? 100 HIS H HA 1 ATOM 1884 H HB2 . HIS A 1 122 R 22.782 -73.681 10.912 1.00 39.08 ? 100 HIS H HB2 1 ATOM 1885 H HB3 . HIS A 1 122 R 21.917 -72.713 9.997 1.00 39.08 ? 100 HIS H HB3 1 ATOM 1886 H HD1 . HIS A 1 122 R 21.511 -75.783 11.038 1.00 52.28 ? 100 HIS H HD1 1 ATOM 1887 H HD2 . HIS A 1 122 R 21.612 -74.402 7.399 1.00 51.47 ? 100 HIS H HD2 1 ATOM 1888 H HE1 . HIS A 1 122 R 20.448 -77.409 9.694 1.00 54.07 ? 100 HIS H HE1 1 ATOM 1889 N N . TYR A 1 123 S 25.706 -71.601 9.501 1.00 32.99 ? 100 TYR H N 1 ATOM 1890 C CA . TYR A 1 123 S 26.349 -70.328 9.809 1.00 32.54 ? 100 TYR H CA 1 ATOM 1891 C C . TYR A 1 123 S 27.504 -70.069 8.848 1.00 32.35 ? 100 TYR H C 1 ATOM 1892 O O . TYR A 1 123 S 28.029 -70.991 8.225 1.00 32.24 ? 100 TYR H O 1 ATOM 1893 C CB . TYR A 1 123 S 26.815 -70.265 11.269 1.00 31.58 ? 100 TYR H CB 1 ATOM 1894 C CG . TYR A 1 123 S 27.976 -71.170 11.628 1.00 33.00 ? 100 TYR H CG 1 ATOM 1895 C CD1 . TYR A 1 123 S 29.285 -70.714 11.555 1.00 31.33 ? 100 TYR H CD1 1 ATOM 1896 C CD2 . TYR A 1 123 S 27.761 -72.470 12.066 1.00 34.92 ? 100 TYR H CD2 1 ATOM 1897 C CE1 . TYR A 1 123 S 30.347 -71.530 11.896 1.00 32.32 ? 100 TYR H CE1 1 ATOM 1898 C CE2 . TYR A 1 123 S 28.818 -73.293 12.409 1.00 35.18 ? 100 TYR H CE2 1 ATOM 1899 C CZ . TYR A 1 123 S 30.109 -72.818 12.322 1.00 35.84 ? 100 TYR H CZ 1 ATOM 1900 O OH . TYR A 1 123 S 31.165 -73.634 12.660 1.00 41.75 ? 100 TYR H OH 1 ATOM 1901 H H . TYR A 1 123 S 26.202 -72.147 9.059 1.00 39.59 ? 100 TYR H H 1 ATOM 1902 H HA . TYR A 1 123 S 25.694 -69.611 9.680 1.00 39.05 ? 100 TYR H HA 1 ATOM 1903 H HB2 . TYR A 1 123 S 27.087 -69.354 11.465 1.00 37.90 ? 100 TYR H HB2 1 ATOM 1904 H HB3 . TYR A 1 123 S 26.070 -70.509 11.839 1.00 37.90 ? 100 TYR H HB3 1 ATOM 1905 H HD1 . TYR A 1 123 S 29.451 -69.845 11.269 1.00 37.60 ? 100 TYR H HD1 1 ATOM 1906 H HD2 . TYR A 1 123 S 26.891 -72.794 12.127 1.00 41.90 ? 100 TYR H HD2 1 ATOM 1907 H HE1 . TYR A 1 123 S 31.219 -71.211 11.837 1.00 38.78 ? 100 TYR H HE1 1 ATOM 1908 H HE2 . TYR A 1 123 S 28.659 -74.163 12.696 1.00 42.22 ? 100 TYR H HE2 1 ATOM 1909 H HH . TYR A 1 123 S 31.169 -74.299 12.181 1.00 50.10 ? 100 TYR H HH 1 ATOM 1910 N N . MET A 1 124 T 27.882 -68.803 8.720 1.00 29.71 ? 100 MET H N 1 ATOM 1911 C CA . MET A 1 124 T 28.907 -68.402 7.767 1.00 31.14 ? 100 MET H CA 1 ATOM 1912 C C . MET A 1 124 T 30.231 -68.191 8.486 1.00 30.87 ? 100 MET H C 1 ATOM 1913 O O . MET A 1 124 T 30.355 -67.297 9.318 1.00 34.86 ? 100 MET H O 1 ATOM 1914 C CB . MET A 1 124 T 28.472 -67.123 7.057 1.00 32.51 ? 100 MET H CB 1 ATOM 1915 C CG . MET A 1 124 T 27.126 -67.255 6.366 1.00 32.85 ? 100 MET H CG 1 ATOM 1916 S SD . MET A 1 124 T 26.362 -65.673 5.985 1.00 55.41 ? 100 MET H SD 1 ATOM 1917 C CE . MET A 1 124 T 24.770 -66.222 5.375 1.00 28.11 ? 100 MET H CE 1 ATOM 1918 H H . MET A 1 124 T 27.556 -68.151 9.177 1.00 35.65 ? 100 MET H H 1 ATOM 1919 H HA . MET A 1 124 T 29.014 -69.105 7.093 1.00 37.37 ? 100 MET H HA 1 ATOM 1920 H HB2 . MET A 1 124 T 28.405 -66.408 7.709 1.00 39.01 ? 100 MET H HB2 1 ATOM 1921 H HB3 . MET A 1 124 T 29.133 -66.896 6.384 1.00 39.01 ? 100 MET H HB3 1 ATOM 1922 H HG2 . MET A 1 124 T 27.246 -67.736 5.532 1.00 39.42 ? 100 MET H HG2 1 ATOM 1923 H HG3 . MET A 1 124 T 26.522 -67.746 6.946 1.00 39.42 ? 100 MET H HG3 1 ATOM 1924 H HE1 . MET A 1 124 T 24.248 -65.455 5.130 1.00 33.73 ? 100 MET H HE1 1 ATOM 1925 H HE2 . MET A 1 124 T 24.907 -66.784 4.609 1.00 33.73 ? 100 MET H HE2 1 ATOM 1926 H HE3 . MET A 1 124 T 24.323 -66.715 6.068 1.00 33.73 ? 100 MET H HE3 1 ATOM 1927 N N . ASP A 1 125 ? 31.220 -69.013 8.153 1.00 30.77 ? 101 ASP H N 1 ATOM 1928 C CA . ASP A 1 125 ? 32.472 -69.053 8.908 1.00 35.33 ? 101 ASP H CA 1 ATOM 1929 C C . ASP A 1 125 ? 33.640 -68.407 8.165 1.00 36.21 ? 101 ASP H C 1 ATOM 1930 O O . ASP A 1 125 ? 34.740 -68.295 8.707 1.00 38.98 ? 101 ASP H O 1 ATOM 1931 C CB . ASP A 1 125 ? 32.820 -70.499 9.263 1.00 38.11 ? 101 ASP H CB 1 ATOM 1932 C CG . ASP A 1 125 ? 32.908 -71.397 8.041 1.00 39.61 ? 101 ASP H CG 1 ATOM 1933 O OD1 . ASP A 1 125 ? 32.513 -70.954 6.940 1.00 35.79 ? 101 ASP H OD1 1 ATOM 1934 O OD2 . ASP A 1 125 ? 33.363 -72.552 8.185 1.00 42.14 ? 101 ASP H OD2 1 ATOM 1935 H H . ASP A 1 125 ? 31.193 -69.562 7.492 1.00 36.92 ? 101 ASP H H 1 ATOM 1936 H HA . ASP A 1 125 ? 32.346 -68.562 9.747 1.00 42.39 ? 101 ASP H HA 1 ATOM 1937 H HB2 . ASP A 1 125 ? 33.681 -70.517 9.710 1.00 45.73 ? 101 ASP H HB2 1 ATOM 1938 H HB3 . ASP A 1 125 ? 32.134 -70.856 9.848 1.00 45.73 ? 101 ASP H HB3 1 ATOM 1939 N N . VAL A 1 126 ? 33.407 -67.991 6.925 1.00 31.94 ? 102 VAL H N 1 ATOM 1940 C CA . VAL A 1 126 ? 34.419 -67.258 6.172 1.00 32.93 ? 102 VAL H CA 1 ATOM 1941 C C . VAL A 1 126 ? 33.768 -66.168 5.331 1.00 33.97 ? 102 VAL H C 1 ATOM 1942 O O . VAL A 1 126 ? 32.744 -66.397 4.689 1.00 29.98 ? 102 VAL H O 1 ATOM 1943 C CB . VAL A 1 126 ? 35.234 -68.184 5.255 1.00 32.85 ? 102 VAL H CB 1 ATOM 1944 C CG1 . VAL A 1 126 ? 36.328 -67.394 4.547 1.00 33.46 ? 102 VAL H CG1 1 ATOM 1945 C CG2 . VAL A 1 126 ? 35.833 -69.329 6.057 1.00 32.95 ? 102 VAL H CG2 1 ATOM 1946 H H . VAL A 1 126 ? 32.672 -68.119 6.496 1.00 38.33 ? 102 VAL H H 1 ATOM 1947 H HA . VAL A 1 126 ? 35.038 -66.829 6.800 1.00 39.52 ? 102 VAL H HA 1 ATOM 1948 H HB . VAL A 1 126 ? 34.642 -68.564 4.573 1.00 39.42 ? 102 VAL H HB 1 ATOM 1949 H HG11 . VAL A 1 126 ? 36.825 -67.989 3.980 1.00 40.15 ? 102 VAL H HG11 1 ATOM 1950 H HG12 . VAL A 1 126 ? 35.922 -66.702 4.020 1.00 40.15 ? 102 VAL H HG12 1 ATOM 1951 H HG13 . VAL A 1 126 ? 36.909 -67.007 5.206 1.00 40.15 ? 102 VAL H HG13 1 ATOM 1952 H HG21 . VAL A 1 126 ? 36.337 -69.894 5.466 1.00 39.54 ? 102 VAL H HG21 1 ATOM 1953 H HG22 . VAL A 1 126 ? 36.409 -68.968 6.735 1.00 39.54 ? 102 VAL H HG22 1 ATOM 1954 H HG23 . VAL A 1 126 ? 35.123 -69.831 6.463 1.00 39.54 ? 102 VAL H HG23 1 ATOM 1955 N N . TRP A 1 127 ? 34.371 -64.983 5.342 1.00 37.44 ? 103 TRP H N 1 ATOM 1956 C CA . TRP A 1 127 ? 33.831 -63.836 4.620 1.00 33.08 ? 103 TRP H CA 1 ATOM 1957 C C . TRP A 1 127 ? 34.905 -63.160 3.781 1.00 35.90 ? 103 TRP H C 1 ATOM 1958 O O . TRP A 1 127 ? 36.094 -63.252 4.086 1.00 38.94 ? 103 TRP H O 1 ATOM 1959 C CB . TRP A 1 127 ? 33.259 -62.814 5.602 1.00 31.15 ? 103 TRP H CB 1 ATOM 1960 C CG . TRP A 1 127 ? 32.059 -63.291 6.353 1.00 30.88 ? 103 TRP H CG 1 ATOM 1961 C CD1 . TRP A 1 127 ? 32.021 -64.272 7.302 1.00 32.52 ? 103 TRP H CD1 1 ATOM 1962 C CD2 . TRP A 1 127 ? 30.718 -62.799 6.231 1.00 28.26 ? 103 TRP H CD2 1 ATOM 1963 N NE1 . TRP A 1 127 ? 30.740 -64.425 7.774 1.00 31.74 ? 103 TRP H NE1 1 ATOM 1964 C CE2 . TRP A 1 127 ? 29.921 -63.532 7.133 1.00 30.29 ? 103 TRP H CE2 1 ATOM 1965 C CE3 . TRP A 1 127 ? 30.114 -61.812 5.446 1.00 24.01 ? 103 TRP H CE3 1 ATOM 1966 C CZ2 . TRP A 1 127 ? 28.553 -63.309 7.272 1.00 28.72 ? 103 TRP H CZ2 1 ATOM 1967 C CZ3 . TRP A 1 127 ? 28.754 -61.593 5.584 1.00 22.03 ? 103 TRP H CZ3 1 ATOM 1968 C CH2 . TRP A 1 127 ? 27.990 -62.338 6.490 1.00 25.11 ? 103 TRP H CH2 1 ATOM 1969 H H . TRP A 1 127 ? 35.101 -64.816 5.764 1.00 44.93 ? 103 TRP H H 1 ATOM 1970 H HA . TRP A 1 127 ? 33.111 -64.132 4.025 1.00 39.70 ? 103 TRP H HA 1 ATOM 1971 H HB2 . TRP A 1 127 ? 33.944 -62.590 6.252 1.00 37.38 ? 103 TRP H HB2 1 ATOM 1972 H HB3 . TRP A 1 127 ? 33.002 -62.019 5.109 1.00 37.38 ? 103 TRP H HB3 1 ATOM 1973 H HD1 . TRP A 1 127 ? 32.756 -64.766 7.585 1.00 39.02 ? 103 TRP H HD1 1 ATOM 1974 H HE1 . TRP A 1 127 ? 30.492 -64.988 8.374 1.00 38.08 ? 103 TRP H HE1 1 ATOM 1975 H HE3 . TRP A 1 127 ? 30.616 -61.313 4.843 1.00 28.82 ? 103 TRP H HE3 1 ATOM 1976 H HZ2 . TRP A 1 127 ? 28.042 -63.803 7.871 1.00 34.46 ? 103 TRP H HZ2 1 ATOM 1977 H HZ3 . TRP A 1 127 ? 28.342 -60.939 5.067 1.00 26.43 ? 103 TRP H HZ3 1 ATOM 1978 H HH2 . TRP A 1 127 ? 27.078 -62.169 6.561 1.00 30.13 ? 103 TRP H HH2 1 ATOM 1979 N N . GLY A 1 128 ? 34.476 -62.471 2.728 1.00 36.48 ? 104 GLY H N 1 ATOM 1980 C CA . GLY A 1 128 ? 35.381 -61.691 1.906 1.00 38.34 ? 104 GLY H CA 1 ATOM 1981 C C . GLY A 1 128 ? 35.389 -60.235 2.330 1.00 43.40 ? 104 GLY H C 1 ATOM 1982 O O . GLY A 1 128 ? 34.711 -59.858 3.285 1.00 36.77 ? 104 GLY H O 1 ATOM 1983 H H . GLY A 1 128 ? 33.657 -62.443 2.470 1.00 43.77 ? 104 GLY H H 1 ATOM 1984 H HA2 . GLY A 1 128 ? 36.281 -62.043 1.984 1.00 46.01 ? 104 GLY H HA2 1 ATOM 1985 H HA3 . GLY A 1 128 ? 35.106 -61.743 0.977 1.00 46.01 ? 104 GLY H HA3 1 ATOM 1986 N N . LYS A 1 129 ? 36.157 -59.417 1.618 1.00 56.44 ? 105 LYS H N 1 ATOM 1987 C CA . LYS A 1 129 ? 36.260 -57.995 1.929 1.00 65.32 ? 105 LYS H CA 1 ATOM 1988 C C . LYS A 1 129 ? 35.005 -57.260 1.481 1.00 53.11 ? 105 LYS H C 1 ATOM 1989 O O . LYS A 1 129 ? 34.606 -56.265 2.082 1.00 47.51 ? 105 LYS H O 1 ATOM 1990 C CB . LYS A 1 129 ? 37.472 -57.382 1.227 1.00 83.54 ? 105 LYS H CB 1 ATOM 1991 C CG . LYS A 1 129 ? 38.415 -56.631 2.148 1.00 97.76 ? 105 LYS H CG 1 ATOM 1992 C CD . LYS A 1 129 ? 39.392 -55.795 1.342 1.00 104.71 ? 105 LYS H CD 1 ATOM 1993 C CE . LYS A 1 129 ? 40.467 -55.186 2.221 1.00 106.90 ? 105 LYS H CE 1 ATOM 1994 N NZ . LYS A 1 129 ? 41.741 -54.994 1.476 1.00 107.25 ? 105 LYS H NZ 1 ATOM 1995 H H . LYS A 1 129 ? 36.633 -59.663 0.946 1.00 67.72 ? 105 LYS H H 1 ATOM 1996 H HA . LYS A 1 129 ? 36.365 -57.875 2.896 1.00 78.38 ? 105 LYS H HA 1 ATOM 1997 H HB2 . LYS A 1 129 ? 37.979 -58.093 0.804 1.00 100.25 ? 105 LYS H HB2 1 ATOM 1998 H HB3 . LYS A 1 129 ? 37.159 -56.758 0.554 1.00 100.25 ? 105 LYS H HB3 1 ATOM 1999 H HG2 . LYS A 1 129 ? 37.903 -56.039 2.721 1.00 117.31 ? 105 LYS H HG2 1 ATOM 2000 H HG3 . LYS A 1 129 ? 38.919 -57.266 2.681 1.00 117.31 ? 105 LYS H HG3 1 ATOM 2001 H HD2 . LYS A 1 129 ? 39.824 -56.358 0.681 1.00 125.66 ? 105 LYS H HD2 1 ATOM 2002 H HD3 . LYS A 1 129 ? 38.912 -55.074 0.907 1.00 125.66 ? 105 LYS H HD3 1 ATOM 2003 H HE2 . LYS A 1 129 ? 40.168 -54.320 2.539 1.00 128.28 ? 105 LYS H HE2 1 ATOM 2004 H HE3 . LYS A 1 129 ? 40.640 -55.777 2.971 1.00 128.28 ? 105 LYS H HE3 1 ATOM 2005 H HZ1 . LYS A 1 129 ? 42.355 -54.636 2.011 1.00 128.70 ? 105 LYS H HZ1 1 ATOM 2006 H HZ2 . LYS A 1 129 ? 42.039 -55.777 1.177 1.00 128.70 ? 105 LYS H HZ2 1 ATOM 2007 H HZ3 . LYS A 1 129 ? 41.609 -54.451 0.783 1.00 128.70 ? 105 LYS H HZ3 1 ATOM 2008 N N . GLY A 1 130 ? 34.398 -57.755 0.409 1.00 48.45 ? 106 GLY H N 1 ATOM 2009 C CA . GLY A 1 130 ? 33.218 -57.139 -0.162 1.00 42.86 ? 106 GLY H CA 1 ATOM 2010 C C . GLY A 1 130 ? 33.590 -56.210 -1.300 1.00 38.64 ? 106 GLY H C 1 ATOM 2011 O O . GLY A 1 130 ? 34.674 -55.625 -1.305 1.00 42.28 ? 106 GLY H O 1 ATOM 2012 H H . GLY A 1 130 ? 34.659 -58.459 -0.011 1.00 58.15 ? 106 GLY H H 1 ATOM 2013 H HA2 . GLY A 1 130 ? 32.621 -57.824 -0.501 1.00 51.43 ? 106 GLY H HA2 1 ATOM 2014 H HA3 . GLY A 1 130 ? 32.752 -56.628 0.519 1.00 51.43 ? 106 GLY H HA3 1 ATOM 2015 N N . THR A 1 131 ? 32.694 -56.083 -2.272 1.00 34.27 ? 107 THR H N 1 ATOM 2016 C CA . THR A 1 131 ? 32.895 -55.161 -3.383 1.00 34.92 ? 107 THR H CA 1 ATOM 2017 C C . THR A 1 131 ? 31.641 -54.314 -3.575 1.00 32.86 ? 107 THR H C 1 ATOM 2018 O O . THR A 1 131 ? 30.520 -54.800 -3.420 1.00 28.11 ? 107 THR H O 1 ATOM 2019 C CB . THR A 1 131 ? 33.250 -55.904 -4.691 1.00 36.00 ? 107 THR H CB 1 ATOM 2020 O OG1 . THR A 1 131 ? 33.613 -54.956 -5.702 1.00 40.95 ? 107 THR H OG1 1 ATOM 2021 C CG2 . THR A 1 131 ? 32.081 -56.750 -5.179 1.00 31.48 ? 107 THR H CG2 1 ATOM 2022 H H . THR A 1 131 ? 31.956 -56.522 -2.311 1.00 41.13 ? 107 THR H H 1 ATOM 2023 H HA . THR A 1 131 ? 33.638 -54.558 -3.167 1.00 41.90 ? 107 THR H HA 1 ATOM 2024 H HB . THR A 1 131 ? 34.001 -56.495 -4.526 1.00 43.20 ? 107 THR H HB 1 ATOM 2025 H HG1 . THR A 1 131 ? 34.263 -54.520 -5.457 1.00 49.14 ? 107 THR H HG1 1 ATOM 2026 H HG21 . THR A 1 131 ? 32.321 -57.202 -5.991 1.00 37.77 ? 107 THR H HG21 1 ATOM 2027 H HG22 . THR A 1 131 ? 31.849 -57.402 -4.515 1.00 37.77 ? 107 THR H HG22 1 ATOM 2028 H HG23 . THR A 1 131 ? 31.320 -56.190 -5.347 1.00 37.77 ? 107 THR H HG23 1 ATOM 2029 N N . THR A 1 132 ? 31.837 -53.042 -3.908 1.00 34.66 ? 108 THR H N 1 ATOM 2030 C CA . THR A 1 132 ? 30.737 -52.088 -3.952 1.00 36.23 ? 108 THR H CA 1 ATOM 2031 C C . THR A 1 132 ? 30.044 -52.049 -5.312 1.00 35.65 ? 108 THR H C 1 ATOM 2032 O O . THR A 1 132 ? 30.694 -52.027 -6.357 1.00 36.77 ? 108 THR H O 1 ATOM 2033 C CB . THR A 1 132 ? 31.225 -50.674 -3.607 1.00 42.50 ? 108 THR H CB 1 ATOM 2034 O OG1 . THR A 1 132 ? 31.868 -50.690 -2.326 1.00 46.33 ? 108 THR H OG1 1 ATOM 2035 C CG2 . THR A 1 132 ? 30.058 -49.694 -3.582 1.00 43.64 ? 108 THR H CG2 1 ATOM 2036 H H . THR A 1 132 ? 32.602 -52.706 -4.113 1.00 41.60 ? 108 THR H H 1 ATOM 2037 H HA . THR A 1 132 ? 30.069 -52.346 -3.283 1.00 43.47 ? 108 THR H HA 1 ATOM 2038 H HB . THR A 1 132 ? 31.857 -50.378 -4.280 1.00 51.00 ? 108 THR H HB 1 ATOM 2039 H HG1 . THR A 1 132 ? 31.341 -50.941 -1.751 1.00 55.59 ? 108 THR H HG1 1 ATOM 2040 H HG21 . THR A 1 132 ? 30.374 -48.813 -3.365 1.00 52.37 ? 108 THR H HG21 1 ATOM 2041 H HG22 . THR A 1 132 ? 29.632 -49.669 -4.441 1.00 52.37 ? 108 THR H HG22 1 ATOM 2042 H HG23 . THR A 1 132 ? 29.416 -49.965 -2.922 1.00 52.37 ? 108 THR H HG23 1 ATOM 2043 N N . VAL A 1 133 ? 28.715 -52.038 -5.281 1.00 32.65 ? 109 VAL H N 1 ATOM 2044 C CA . VAL A 1 133 ? 27.909 -51.912 -6.490 1.00 29.92 ? 109 VAL H CA 1 ATOM 2045 C C . VAL A 1 133 ? 27.056 -50.653 -6.403 1.00 31.95 ? 109 VAL H C 1 ATOM 2046 O O . VAL A 1 133 ? 26.260 -50.493 -5.476 1.00 31.86 ? 109 VAL H O 1 ATOM 2047 C CB . VAL A 1 133 ? 26.988 -53.132 -6.689 1.00 28.55 ? 109 VAL H CB 1 ATOM 2048 C CG1 . VAL A 1 133 ? 26.068 -52.921 -7.885 1.00 30.06 ? 109 VAL H CG1 1 ATOM 2049 C CG2 . VAL A 1 133 ? 27.815 -54.396 -6.869 1.00 27.80 ? 109 VAL H CG2 1 ATOM 2050 H H . VAL A 1 133 ? 28.249 -52.104 -4.561 1.00 39.18 ? 109 VAL H H 1 ATOM 2051 H HA . VAL A 1 133 ? 28.498 -51.835 -7.269 1.00 35.90 ? 109 VAL H HA 1 ATOM 2052 H HB . VAL A 1 133 ? 26.430 -53.245 -5.892 1.00 34.26 ? 109 VAL H HB 1 ATOM 2053 H HG11 . VAL A 1 133 ? 25.507 -53.693 -7.987 1.00 36.07 ? 109 VAL H HG11 1 ATOM 2054 H HG12 . VAL A 1 133 ? 25.529 -52.142 -7.730 1.00 36.07 ? 109 VAL H HG12 1 ATOM 2055 H HG13 . VAL A 1 133 ? 26.603 -52.798 -8.673 1.00 36.07 ? 109 VAL H HG13 1 ATOM 2056 H HG21 . VAL A 1 133 ? 27.223 -55.141 -6.992 1.00 33.37 ? 109 VAL H HG21 1 ATOM 2057 H HG22 . VAL A 1 133 ? 28.377 -54.294 -7.641 1.00 33.37 ? 109 VAL H HG22 1 ATOM 2058 H HG23 . VAL A 1 133 ? 28.354 -54.530 -6.086 1.00 33.37 ? 109 VAL H HG23 1 ATOM 2059 N N . THR A 1 134 ? 27.229 -49.762 -7.374 1.00 31.58 ? 110 THR H N 1 ATOM 2060 C CA . THR A 1 134 ? 26.515 -48.493 -7.389 1.00 32.72 ? 110 THR H CA 1 ATOM 2061 C C . THR A 1 134 ? 25.554 -48.421 -8.568 1.00 32.48 ? 110 THR H C 1 ATOM 2062 O O . THR A 1 134 ? 25.972 -48.436 -9.726 1.00 34.59 ? 110 THR H O 1 ATOM 2063 C CB . THR A 1 134 ? 27.495 -47.314 -7.482 1.00 39.40 ? 110 THR H CB 1 ATOM 2064 O OG1 . THR A 1 134 ? 28.448 -47.393 -6.416 1.00 41.69 ? 110 THR H OG1 1 ATOM 2065 C CG2 . THR A 1 134 ? 26.751 -45.990 -7.399 1.00 41.03 ? 110 THR H CG2 1 ATOM 2066 H H . THR A 1 134 ? 27.760 -49.870 -8.041 1.00 37.90 ? 110 THR H H 1 ATOM 2067 H HA . THR A 1 134 ? 25.998 -48.401 -6.561 1.00 39.27 ? 110 THR H HA 1 ATOM 2068 H HB . THR A 1 134 ? 27.960 -47.349 -8.333 1.00 47.28 ? 110 THR H HB 1 ATOM 2069 H HG1 . THR A 1 134 ? 28.973 -46.765 -6.462 1.00 50.03 ? 110 THR H HG1 1 ATOM 2070 H HG21 . THR A 1 134 ? 27.373 -45.261 -7.459 1.00 49.23 ? 110 THR H HG21 1 ATOM 2071 H HG22 . THR A 1 134 ? 26.121 -45.923 -8.120 1.00 49.23 ? 110 THR H HG22 1 ATOM 2072 H HG23 . THR A 1 134 ? 26.280 -45.931 -6.565 1.00 49.23 ? 110 THR H HG23 1 ATOM 2073 N N . VAL A 1 135 ? 24.264 -48.339 -8.266 1.00 31.59 ? 111 VAL H N 1 ATOM 2074 C CA . VAL A 1 135 ? 23.239 -48.225 -9.294 1.00 31.43 ? 111 VAL H CA 1 ATOM 2075 C C . VAL A 1 135 ? 22.768 -46.778 -9.385 1.00 37.65 ? 111 VAL H C 1 ATOM 2076 O O . VAL A 1 135 ? 22.111 -46.277 -8.471 1.00 44.33 ? 111 VAL H O 1 ATOM 2077 C CB . VAL A 1 135 ? 22.041 -49.136 -8.987 1.00 31.68 ? 111 VAL H CB 1 ATOM 2078 C CG1 . VAL A 1 135 ? 21.066 -49.135 -10.155 1.00 33.59 ? 111 VAL H CG1 1 ATOM 2079 C CG2 . VAL A 1 135 ? 22.519 -50.551 -8.683 1.00 29.78 ? 111 VAL H CG2 1 ATOM 2080 H H . VAL A 1 135 ? 23.953 -48.346 -7.464 1.00 37.90 ? 111 VAL H H 1 ATOM 2081 H HA . VAL A 1 135 ? 23.614 -48.486 -10.161 1.00 37.71 ? 111 VAL H HA 1 ATOM 2082 H HB . VAL A 1 135 ? 21.572 -48.795 -8.197 1.00 38.02 ? 111 VAL H HB 1 ATOM 2083 H HG11 . VAL A 1 135 ? 20.326 -49.709 -9.944 1.00 40.31 ? 111 VAL H HG11 1 ATOM 2084 H HG12 . VAL A 1 135 ? 20.755 -48.238 -10.301 1.00 40.31 ? 111 VAL H HG12 1 ATOM 2085 H HG13 . VAL A 1 135 ? 21.518 -49.457 -10.938 1.00 40.31 ? 111 VAL H HG13 1 ATOM 2086 H HG21 . VAL A 1 135 ? 21.757 -51.103 -8.493 1.00 35.74 ? 111 VAL H HG21 1 ATOM 2087 H HG22 . VAL A 1 135 ? 22.990 -50.892 -9.446 1.00 35.74 ? 111 VAL H HG22 1 ATOM 2088 H HG23 . VAL A 1 135 ? 23.103 -50.526 -7.921 1.00 35.74 ? 111 VAL H HG23 1 ATOM 2089 N N . SER A 1 136 ? 23.097 -46.111 -10.489 1.00 37.64 ? 112 SER H N 1 ATOM 2090 C CA . SER A 1 136 ? 22.835 -44.681 -10.615 1.00 36.11 ? 112 SER H CA 1 ATOM 2091 C C . SER A 1 136 ? 22.500 -44.243 -12.041 1.00 33.83 ? 112 SER H C 1 ATOM 2092 O O . SER A 1 136 ? 23.021 -44.796 -13.011 1.00 34.43 ? 112 SER H O 1 ATOM 2093 C CB . SER A 1 136 ? 24.047 -43.898 -10.115 1.00 37.21 ? 112 SER H CB 1 ATOM 2094 O OG . SER A 1 136 ? 23.897 -42.510 -10.374 1.00 40.43 ? 112 SER H OG 1 ATOM 2095 H H . SER A 1 136 ? 23.472 -46.464 -11.178 1.00 45.16 ? 112 SER H H 1 ATOM 2096 H HA . SER A 1 136 ? 22.073 -44.449 -10.044 1.00 43.33 ? 112 SER H HA 1 ATOM 2097 H HB2 . SER A 1 136 ? 24.137 -44.033 -9.159 1.00 44.65 ? 112 SER H HB2 1 ATOM 2098 H HB3 . SER A 1 136 ? 24.840 -44.219 -10.572 1.00 44.65 ? 112 SER H HB3 1 ATOM 2099 H HG . SER A 1 136 ? 23.181 -42.371 -10.748 1.00 48.52 ? 112 SER H HG 1 ATOM 2100 N N . SER A 1 137 ? 21.633 -43.238 -12.153 1.00 30.05 ? 113 SER H N 1 ATOM 2101 C CA . SER A 1 137 ? 21.248 -42.669 -13.442 1.00 31.75 ? 113 SER H CA 1 ATOM 2102 C C . SER A 1 137 ? 22.053 -41.414 -13.779 1.00 38.03 ? 113 SER H C 1 ATOM 2103 O O . SER A 1 137 ? 21.849 -40.799 -14.823 1.00 50.39 ? 113 SER H O 1 ATOM 2104 C CB . SER A 1 137 ? 19.766 -42.299 -13.418 1.00 32.45 ? 113 SER H CB 1 ATOM 2105 O OG . SER A 1 137 ? 18.962 -43.402 -13.046 1.00 35.92 ? 113 SER H OG 1 ATOM 2106 H H . SER A 1 137 ? 21.247 -42.862 -11.483 1.00 36.06 ? 113 SER H H 1 ATOM 2107 H HA . SER A 1 137 ? 21.393 -43.332 -14.149 1.00 38.10 ? 113 SER H HA 1 ATOM 2108 H HB2 . SER A 1 137 ? 19.631 -41.583 -12.778 1.00 38.94 ? 113 SER H HB2 1 ATOM 2109 H HB3 . SER A 1 137 ? 19.502 -42.003 -14.303 1.00 38.94 ? 113 SER H HB3 1 ATOM 2110 H HG . SER A 1 137 ? 18.172 -43.184 -13.039 1.00 43.11 ? 113 SER H HG 1 ATOM 2111 N N . ALA A 1 138 ? 22.984 -41.053 -12.904 1.00 58.58 ? 114 ALA H N 1 ATOM 2112 C CA . ALA A 1 138 ? 23.609 -39.732 -12.951 1.00 55.52 ? 114 ALA H CA 1 ATOM 2113 C C . ALA A 1 138 ? 24.797 -39.694 -13.898 1.00 56.75 ? 114 ALA H C 1 ATOM 2114 O O . ALA A 1 138 ? 25.577 -40.642 -13.973 1.00 55.84 ? 114 ALA H O 1 ATOM 2115 C CB . ALA A 1 138 ? 24.043 -39.306 -11.559 1.00 50.19 ? 114 ALA H CB 1 ATOM 2116 H H . ALA A 1 138 ? 23.274 -41.555 -12.269 1.00 70.29 ? 114 ALA H H 1 ATOM 2117 H HA . ALA A 1 138 ? 22.949 -39.082 -13.271 1.00 66.63 ? 114 ALA H HA 1 ATOM 2118 H HB1 . ALA A 1 138 ? 24.450 -38.438 -11.612 1.00 60.23 ? 114 ALA H HB1 1 ATOM 2119 H HB2 . ALA A 1 138 ? 23.272 -39.273 -10.988 1.00 60.23 ? 114 ALA H HB2 1 ATOM 2120 H HB3 . ALA A 1 138 ? 24.675 -39.945 -11.221 1.00 60.23 ? 114 ALA H HB3 1 ATOM 2121 N N . SER A 1 139 ? 24.923 -38.587 -14.620 1.00 58.77 ? 115 SER H N 1 ATOM 2122 C CA . SER A 1 139 ? 26.107 -38.332 -15.422 1.00 59.85 ? 115 SER H CA 1 ATOM 2123 C C . SER A 1 139 ? 27.105 -37.586 -14.550 1.00 55.01 ? 115 SER H C 1 ATOM 2124 O O . SER A 1 139 ? 26.716 -36.953 -13.569 1.00 51.16 ? 115 SER H O 1 ATOM 2125 C CB . SER A 1 139 ? 25.748 -37.487 -16.639 1.00 65.77 ? 115 SER H CB 1 ATOM 2126 O OG . SER A 1 139 ? 24.627 -38.021 -17.319 1.00 72.73 ? 115 SER H OG 1 ATOM 2127 H H . SER A 1 139 ? 24.331 -37.965 -14.662 1.00 70.52 ? 115 SER H H 1 ATOM 2128 H HA . SER A 1 139 ? 26.505 -39.176 -15.720 1.00 71.82 ? 115 SER H HA 1 ATOM 2129 H HB2 . SER A 1 139 ? 25.539 -36.586 -16.347 1.00 78.92 ? 115 SER H HB2 1 ATOM 2130 H HB3 . SER A 1 139 ? 26.505 -37.471 -17.246 1.00 78.92 ? 115 SER H HB3 1 ATOM 2131 H HG . SER A 1 139 ? 24.446 -37.557 -17.971 1.00 87.28 ? 115 SER H HG 1 ATOM 2132 N N . THR A 1 140 ? 28.388 -37.662 -14.888 1.00 58.78 ? 116 THR H N 1 ATOM 2133 C CA . THR A 1 140 ? 29.396 -36.939 -14.117 1.00 59.44 ? 116 THR H CA 1 ATOM 2134 C C . THR A 1 140 ? 29.097 -35.443 -14.138 1.00 57.72 ? 116 THR H C 1 ATOM 2135 O O . THR A 1 140 ? 28.882 -34.856 -15.197 1.00 54.45 ? 116 THR H O 1 ATOM 2136 C CB . THR A 1 140 ? 30.848 -37.209 -14.603 1.00 52.09 ? 116 THR H CB 1 ATOM 2137 O OG1 . THR A 1 140 ? 31.738 -36.272 -13.983 1.00 50.71 ? 116 THR H OG1 1 ATOM 2138 C CG2 . THR A 1 140 ? 30.983 -37.081 -16.112 1.00 58.00 ? 116 THR H CG2 1 ATOM 2139 H H . THR A 1 140 ? 28.698 -38.117 -15.548 1.00 70.53 ? 116 THR H H 1 ATOM 2140 H HA . THR A 1 140 ? 29.341 -37.235 -13.185 1.00 71.33 ? 116 THR H HA 1 ATOM 2141 H HB . THR A 1 140 ? 31.107 -38.109 -14.350 1.00 62.51 ? 116 THR H HB 1 ATOM 2142 H HG1 . THR A 1 140 ? 31.706 -36.352 -13.168 1.00 60.85 ? 116 THR H HG1 1 ATOM 2143 H HG21 . THR A 1 140 ? 31.889 -37.254 -16.376 1.00 69.60 ? 116 THR H HG21 1 ATOM 2144 H HG22 . THR A 1 140 ? 30.405 -37.713 -16.547 1.00 69.60 ? 116 THR H HG22 1 ATOM 2145 H HG23 . THR A 1 140 ? 30.740 -36.195 -16.388 1.00 69.60 ? 116 THR H HG23 1 ATOM 2146 N N . LYS A 1 141 ? 29.077 -34.836 -12.955 1.00 53.80 ? 117 LYS H N 1 ATOM 2147 C CA . LYS A 1 141 ? 28.657 -33.448 -12.808 1.00 51.75 ? 117 LYS H CA 1 ATOM 2148 C C . LYS A 1 141 ? 29.316 -32.797 -11.596 1.00 47.75 ? 117 LYS H C 1 ATOM 2149 O O . LYS A 1 141 ? 29.548 -33.448 -10.576 1.00 44.39 ? 117 LYS H O 1 ATOM 2150 C CB . LYS A 1 141 ? 27.134 -33.380 -12.671 1.00 54.84 ? 117 LYS H CB 1 ATOM 2151 C CG . LYS A 1 141 ? 26.597 -32.008 -12.301 1.00 58.79 ? 117 LYS H CG 1 ATOM 2152 C CD . LYS A 1 141 ? 25.099 -32.054 -12.033 1.00 60.71 ? 117 LYS H CD 1 ATOM 2153 C CE . LYS A 1 141 ? 24.555 -30.698 -11.598 1.00 59.70 ? 117 LYS H CE 1 ATOM 2154 N NZ . LYS A 1 141 ? 25.186 -30.201 -10.341 1.00 55.02 ? 117 LYS H NZ 1 ATOM 2155 H H . LYS A 1 141 ? 29.304 -35.211 -12.215 1.00 64.56 ? 117 LYS H H 1 ATOM 2156 H HA . LYS A 1 141 ? 28.917 -32.945 -13.608 1.00 62.10 ? 117 LYS H HA 1 ATOM 2157 H HB2 . LYS A 1 141 ? 26.735 -33.634 -13.517 1.00 65.80 ? 117 LYS H HB2 1 ATOM 2158 H HB3 . LYS A 1 141 ? 26.857 -34.001 -11.979 1.00 65.80 ? 117 LYS H HB3 1 ATOM 2159 H HG2 . LYS A 1 141 ? 27.041 -31.696 -11.496 1.00 70.55 ? 117 LYS H HG2 1 ATOM 2160 H HG3 . LYS A 1 141 ? 26.757 -31.393 -13.033 1.00 70.55 ? 117 LYS H HG3 1 ATOM 2161 H HD2 . LYS A 1 141 ? 24.638 -32.318 -12.845 1.00 72.85 ? 117 LYS H HD2 1 ATOM 2162 H HD3 . LYS A 1 141 ? 24.921 -32.693 -11.325 1.00 72.85 ? 117 LYS H HD3 1 ATOM 2163 H HE2 . LYS A 1 141 ? 24.728 -30.049 -12.298 1.00 71.65 ? 117 LYS H HE2 1 ATOM 2164 H HE3 . LYS A 1 141 ? 23.600 -30.775 -11.445 1.00 71.65 ? 117 LYS H HE3 1 ATOM 2165 H HZ1 . LYS A 1 141 ? 25.036 -30.775 -9.678 1.00 66.02 ? 117 LYS H HZ1 1 ATOM 2166 H HZ2 . LYS A 1 141 ? 26.064 -30.113 -10.455 1.00 66.02 ? 117 LYS H HZ2 1 ATOM 2167 H HZ3 . LYS A 1 141 ? 24.843 -29.409 -10.121 1.00 66.02 ? 117 LYS H HZ3 1 ATOM 2168 N N . GLY A 1 142 ? 29.614 -31.506 -11.713 1.00 48.16 ? 118 GLY H N 1 ATOM 2169 C CA . GLY A 1 142 ? 30.229 -30.766 -10.627 1.00 45.60 ? 118 GLY H CA 1 ATOM 2170 C C . GLY A 1 142 ? 29.230 -30.213 -9.631 1.00 45.21 ? 118 GLY H C 1 ATOM 2171 O O . GLY A 1 142 ? 28.066 -29.992 -9.968 1.00 42.93 ? 118 GLY H O 1 ATOM 2172 H H . GLY A 1 142 ? 29.467 -31.037 -12.418 1.00 57.80 ? 118 GLY H H 1 ATOM 2173 H HA2 . GLY A 1 142 ? 30.842 -31.348 -10.151 1.00 54.72 ? 118 GLY H HA2 1 ATOM 2174 H HA3 . GLY A 1 142 ? 30.736 -30.024 -10.993 1.00 54.72 ? 118 GLY H HA3 1 ATOM 2175 N N . PRO A 1 143 ? 29.688 -29.974 -8.392 1.00 49.90 ? 119 PRO H N 1 ATOM 2176 C CA . PRO A 1 143 ? 28.827 -29.540 -7.289 1.00 50.97 ? 119 PRO H CA 1 ATOM 2177 C C . PRO A 1 143 ? 28.497 -28.055 -7.324 1.00 51.37 ? 119 PRO H C 1 ATOM 2178 O O . PRO A 1 143 ? 29.217 -27.269 -7.938 1.00 44.42 ? 119 PRO H O 1 ATOM 2179 C CB . PRO A 1 143 ? 29.683 -29.832 -6.059 1.00 49.33 ? 119 PRO H CB 1 ATOM 2180 C CG . PRO A 1 143 ? 31.077 -29.632 -6.536 1.00 48.16 ? 119 PRO H CG 1 ATOM 2181 C CD . PRO A 1 143 ? 31.093 -30.107 -7.967 1.00 49.57 ? 119 PRO H CD 1 ATOM 2182 H HA . PRO A 1 143 ? 28.002 -30.068 -7.256 1.00 61.16 ? 119 PRO H HA 1 ATOM 2183 H HB2 . PRO A 1 143 ? 29.466 -29.206 -5.350 1.00 59.19 ? 119 PRO H HB2 1 ATOM 2184 H HB3 . PRO A 1 143 ? 29.543 -30.747 -5.769 1.00 59.19 ? 119 PRO H HB3 1 ATOM 2185 H HG2 . PRO A 1 143 ? 31.306 -28.691 -6.486 1.00 57.80 ? 119 PRO H HG2 1 ATOM 2186 H HG3 . PRO A 1 143 ? 31.684 -30.160 -5.994 1.00 57.80 ? 119 PRO H HG3 1 ATOM 2187 H HD2 . PRO A 1 143 ? 31.664 -29.537 -8.505 1.00 59.49 ? 119 PRO H HD2 1 ATOM 2188 H HD3 . PRO A 1 143 ? 31.374 -31.034 -8.012 1.00 59.49 ? 119 PRO H HD3 1 ATOM 2189 N N . SER A 1 144 ? 27.405 -27.686 -6.665 1.00 57.57 ? 120 SER H N 1 ATOM 2190 C CA . SER A 1 144 ? 27.102 -26.289 -6.399 1.00 59.37 ? 120 SER H CA 1 ATOM 2191 C C . SER A 1 144 ? 27.369 -26.039 -4.924 1.00 58.56 ? 120 SER H C 1 ATOM 2192 O O . SER A 1 144 ? 26.834 -26.740 -4.065 1.00 60.07 ? 120 SER H O 1 ATOM 2193 C CB . SER A 1 144 ? 25.644 -25.973 -6.728 1.00 59.42 ? 120 SER H CB 1 ATOM 2194 O OG . SER A 1 144 ? 25.346 -26.275 -8.079 1.00 60.95 ? 120 SER H OG 1 ATOM 2195 H H . SER A 1 144 ? 26.817 -28.234 -6.358 1.00 69.09 ? 120 SER H H 1 ATOM 2196 H HA . SER A 1 144 ? 27.685 -25.710 -6.934 1.00 71.24 ? 120 SER H HA 1 ATOM 2197 H HB2 . SER A 1 144 ? 25.070 -26.503 -6.153 1.00 71.30 ? 120 SER H HB2 1 ATOM 2198 H HB3 . SER A 1 144 ? 25.485 -25.029 -6.575 1.00 71.30 ? 120 SER H HB3 1 ATOM 2199 H HG . SER A 1 144 ? 24.561 -26.100 -8.239 1.00 73.14 ? 120 SER H HG 1 ATOM 2200 N N . VAL A 1 145 ? 28.200 -25.046 -4.629 1.00 54.61 ? 121 VAL H N 1 ATOM 2201 C CA . VAL A 1 145 ? 28.605 -24.787 -3.253 1.00 50.13 ? 121 VAL H CA 1 ATOM 2202 C C . VAL A 1 145 ? 27.900 -23.562 -2.690 1.00 51.08 ? 121 VAL H C 1 ATOM 2203 O O . VAL A 1 145 ? 28.033 -22.456 -3.213 1.00 48.08 ? 121 VAL H O 1 ATOM 2204 C CB . VAL A 1 145 ? 30.125 -24.589 -3.144 1.00 47.35 ? 121 VAL H CB 1 ATOM 2205 C CG1 . VAL A 1 145 ? 30.525 -24.341 -1.695 1.00 46.29 ? 121 VAL H CG1 1 ATOM 2206 C CG2 . VAL A 1 145 ? 30.850 -25.802 -3.699 1.00 42.95 ? 121 VAL H CG2 1 ATOM 2207 H H . VAL A 1 145 ? 28.543 -24.508 -5.206 1.00 65.53 ? 121 VAL H H 1 ATOM 2208 H HA . VAL A 1 145 ? 28.360 -25.558 -2.700 1.00 60.16 ? 121 VAL H HA 1 ATOM 2209 H HB . VAL A 1 145 ? 30.387 -23.807 -3.672 1.00 56.82 ? 121 VAL H HB 1 ATOM 2210 H HG11 . VAL A 1 145 ? 31.476 -24.220 -1.650 1.00 55.54 ? 121 VAL H HG11 1 ATOM 2211 H HG12 . VAL A 1 145 ? 30.079 -23.552 -1.379 1.00 55.54 ? 121 VAL H HG12 1 ATOM 2212 H HG13 . VAL A 1 145 ? 30.265 -25.098 -1.165 1.00 55.54 ? 121 VAL H HG13 1 ATOM 2213 H HG21 . VAL A 1 145 ? 31.796 -25.661 -3.622 1.00 51.54 ? 121 VAL H HG21 1 ATOM 2214 H HG22 . VAL A 1 145 ? 30.592 -26.577 -3.195 1.00 51.54 ? 121 VAL H HG22 1 ATOM 2215 H HG23 . VAL A 1 145 ? 30.608 -25.915 -4.621 1.00 51.54 ? 121 VAL H HG23 1 ATOM 2216 N N . PHE A 1 146 ? 27.143 -23.773 -1.620 1.00 53.42 ? 122 PHE H N 1 ATOM 2217 C CA . PHE A 1 146 ? 26.438 -22.691 -0.951 1.00 54.45 ? 122 PHE H CA 1 ATOM 2218 C C . PHE A 1 146 ? 26.988 -22.498 0.456 1.00 48.19 ? 122 PHE H C 1 ATOM 2219 O O . PHE A 1 146 ? 27.478 -23.445 1.067 1.00 45.88 ? 122 PHE H O 1 ATOM 2220 C CB . PHE A 1 146 ? 24.944 -23.001 -0.892 1.00 57.72 ? 122 PHE H CB 1 ATOM 2221 C CG . PHE A 1 146 ? 24.306 -23.156 -2.243 1.00 60.38 ? 122 PHE H CG 1 ATOM 2222 C CD1 . PHE A 1 146 ? 23.828 -22.053 -2.928 1.00 61.79 ? 122 PHE H CD1 1 ATOM 2223 C CD2 . PHE A 1 146 ? 24.190 -24.406 -2.830 1.00 60.51 ? 122 PHE H CD2 1 ATOM 2224 C CE1 . PHE A 1 146 ? 23.244 -22.192 -4.172 1.00 63.39 ? 122 PHE H CE1 1 ATOM 2225 C CE2 . PHE A 1 146 ? 23.607 -24.549 -4.075 1.00 61.52 ? 122 PHE H CE2 1 ATOM 2226 C CZ . PHE A 1 146 ? 23.133 -23.442 -4.745 1.00 62.67 ? 122 PHE H CZ 1 ATOM 2227 H H . PHE A 1 146 ? 27.022 -24.544 -1.258 1.00 64.10 ? 122 PHE H H 1 ATOM 2228 H HA . PHE A 1 146 ? 26.564 -21.858 -1.453 1.00 65.34 ? 122 PHE H HA 1 ATOM 2229 H HB2 . PHE A 1 146 ? 24.816 -23.830 -0.405 1.00 69.27 ? 122 PHE H HB2 1 ATOM 2230 H HB3 . PHE A 1 146 ? 24.492 -22.276 -0.432 1.00 69.27 ? 122 PHE H HB3 1 ATOM 2231 H HD1 . PHE A 1 146 ? 23.900 -21.208 -2.546 1.00 74.15 ? 122 PHE H HD1 1 ATOM 2232 H HD2 . PHE A 1 146 ? 24.508 -25.156 -2.382 1.00 72.62 ? 122 PHE H HD2 1 ATOM 2233 H HE1 . PHE A 1 146 ? 22.925 -21.443 -4.622 1.00 76.07 ? 122 PHE H HE1 1 ATOM 2234 H HE2 . PHE A 1 146 ? 23.533 -25.393 -4.460 1.00 73.82 ? 122 PHE H HE2 1 ATOM 2235 H HZ . PHE A 1 146 ? 22.740 -23.537 -5.582 1.00 75.21 ? 122 PHE H HZ 1 ATOM 2236 N N . PRO A 1 147 ? 26.910 -21.266 0.979 1.00 47.88 ? 123 PRO H N 1 ATOM 2237 C CA . PRO A 1 147 ? 27.453 -21.010 2.312 1.00 46.47 ? 123 PRO H CA 1 ATOM 2238 C C . PRO A 1 147 ? 26.414 -21.188 3.409 1.00 48.45 ? 123 PRO H C 1 ATOM 2239 O O . PRO A 1 147 ? 25.242 -20.861 3.220 1.00 52.47 ? 123 PRO H O 1 ATOM 2240 C CB . PRO A 1 147 ? 27.885 -19.546 2.229 1.00 46.62 ? 123 PRO H CB 1 ATOM 2241 C CG . PRO A 1 147 ? 26.987 -18.931 1.165 1.00 49.78 ? 123 PRO H CG 1 ATOM 2242 C CD . PRO A 1 147 ? 26.302 -20.052 0.409 1.00 50.29 ? 123 PRO H CD 1 ATOM 2243 H HA . PRO A 1 147 ? 28.231 -21.579 2.490 1.00 55.76 ? 123 PRO H HA 1 ATOM 2244 H HB2 . PRO A 1 147 ? 27.746 -19.115 3.086 1.00 55.94 ? 123 PRO H HB2 1 ATOM 2245 H HB3 . PRO A 1 147 ? 28.816 -19.494 1.964 1.00 55.94 ? 123 PRO H HB3 1 ATOM 2246 H HG2 . PRO A 1 147 ? 26.325 -18.368 1.596 1.00 59.74 ? 123 PRO H HG2 1 ATOM 2247 H HG3 . PRO A 1 147 ? 27.530 -18.404 0.558 1.00 59.74 ? 123 PRO H HG3 1 ATOM 2248 H HD2 . PRO A 1 147 ? 25.347 -20.040 0.579 1.00 60.35 ? 123 PRO H HD2 1 ATOM 2249 H HD3 . PRO A 1 147 ? 26.497 -19.990 -0.539 1.00 60.35 ? 123 PRO H HD3 1 ATOM 2250 N N . LEU A 1 148 ? 26.853 -21.714 4.546 1.00 45.19 ? 124 LEU H N 1 ATOM 2251 C CA . LEU A 1 148 ? 26.006 -21.818 5.723 1.00 46.44 ? 124 LEU H CA 1 ATOM 2252 C C . LEU A 1 148 ? 26.469 -20.780 6.737 1.00 49.04 ? 124 LEU H C 1 ATOM 2253 O O . LEU A 1 148 ? 27.327 -21.053 7.576 1.00 49.21 ? 124 LEU H O 1 ATOM 2254 C CB . LEU A 1 148 ? 26.080 -23.230 6.305 1.00 43.99 ? 124 LEU H CB 1 ATOM 2255 C CG . LEU A 1 148 ? 25.761 -24.331 5.288 1.00 42.02 ? 124 LEU H CG 1 ATOM 2256 C CD1 . LEU A 1 148 ? 25.952 -25.714 5.892 1.00 40.55 ? 124 LEU H CD1 1 ATOM 2257 C CD2 . LEU A 1 148 ? 24.344 -24.169 4.756 1.00 42.17 ? 124 LEU H CD2 1 ATOM 2258 H H . LEU A 1 148 ? 27.648 -22.021 4.661 1.00 54.23 ? 124 LEU H H 1 ATOM 2259 H HA . LEU A 1 148 ? 25.076 -21.627 5.480 1.00 55.73 ? 124 LEU H HA 1 ATOM 2260 H HB2 . LEU A 1 148 ? 26.978 -23.385 6.638 1.00 52.78 ? 124 LEU H HB2 1 ATOM 2261 H HB3 . LEU A 1 148 ? 25.442 -23.303 7.032 1.00 52.78 ? 124 LEU H HB3 1 ATOM 2262 H HG . LEU A 1 148 ? 26.370 -24.249 4.538 1.00 50.43 ? 124 LEU H HG 1 ATOM 2263 H HD11 . LEU A 1 148 ? 25.744 -26.376 5.229 1.00 48.66 ? 124 LEU H HD11 1 ATOM 2264 H HD12 . LEU A 1 148 ? 26.865 -25.808 6.174 1.00 48.66 ? 124 LEU H HD12 1 ATOM 2265 H HD13 . LEU A 1 148 ? 25.366 -25.809 6.646 1.00 48.66 ? 124 LEU H HD13 1 ATOM 2266 H HD21 . LEU A 1 148 ? 24.167 -24.868 4.122 1.00 50.61 ? 124 LEU H HD21 1 ATOM 2267 H HD22 . LEU A 1 148 ? 23.727 -24.226 5.489 1.00 50.61 ? 124 LEU H HD22 1 ATOM 2268 H HD23 . LEU A 1 148 ? 24.267 -23.312 4.329 1.00 50.61 ? 124 LEU H HD23 1 ATOM 2269 N N . ALA A 1 149 ? 25.904 -19.581 6.635 1.00 52.86 ? 125 ALA H N 1 ATOM 2270 C CA . ALA A 1 149 ? 26.305 -18.460 7.477 1.00 52.23 ? 125 ALA H CA 1 ATOM 2271 C C . ALA A 1 149 ? 26.365 -18.869 8.941 1.00 50.86 ? 125 ALA H C 1 ATOM 2272 O O . ALA A 1 149 ? 25.544 -19.662 9.404 1.00 49.55 ? 125 ALA H O 1 ATOM 2273 C CB . ALA A 1 149 ? 25.347 -17.300 7.295 1.00 51.52 ? 125 ALA H CB 1 ATOM 2274 H H . ALA A 1 149 ? 25.277 -19.390 6.078 1.00 63.43 ? 125 ALA H H 1 ATOM 2275 H HA . ALA A 1 149 ? 27.199 -18.162 7.207 1.00 62.68 ? 125 ALA H HA 1 ATOM 2276 H HB1 . ALA A 1 149 ? 25.627 -16.573 7.855 1.00 61.83 ? 125 ALA H HB1 1 ATOM 2277 H HB2 . ALA A 1 149 ? 25.358 -17.027 6.374 1.00 61.83 ? 125 ALA H HB2 1 ATOM 2278 H HB3 . ALA A 1 149 ? 24.463 -17.583 7.542 1.00 61.83 ? 125 ALA H HB3 1 ATOM 2279 N N . PRO A 1 150 ? 27.335 -18.314 9.680 1.00 49.73 ? 126 PRO H N 1 ATOM 2280 C CA . PRO A 1 150 ? 27.562 -18.733 11.066 1.00 47.61 ? 126 PRO H CA 1 ATOM 2281 C C . PRO A 1 150 ? 26.320 -18.594 11.942 1.00 47.07 ? 126 PRO H C 1 ATOM 2282 O O . PRO A 1 150 ? 25.576 -17.620 11.827 1.00 47.86 ? 126 PRO H O 1 ATOM 2283 C CB . PRO A 1 150 ? 28.674 -17.791 11.541 1.00 48.87 ? 126 PRO H CB 1 ATOM 2284 C CG . PRO A 1 150 ? 28.606 -16.617 10.633 1.00 51.58 ? 126 PRO H CG 1 ATOM 2285 C CD . PRO A 1 150 ? 28.167 -17.158 9.309 1.00 51.48 ? 126 PRO H CD 1 ATOM 2286 H HA . PRO A 1 150 ? 27.883 -19.659 11.097 1.00 57.13 ? 126 PRO H HA 1 ATOM 2287 H HB2 . PRO A 1 150 ? 28.506 -17.525 12.459 1.00 58.64 ? 126 PRO H HB2 1 ATOM 2288 H HB3 . PRO A 1 150 ? 29.533 -18.235 11.464 1.00 58.64 ? 126 PRO H HB3 1 ATOM 2289 H HG2 . PRO A 1 150 ? 27.959 -15.979 10.973 1.00 61.90 ? 126 PRO H HG2 1 ATOM 2290 H HG3 . PRO A 1 150 ? 29.483 -16.209 10.562 1.00 61.90 ? 126 PRO H HG3 1 ATOM 2291 H HD2 . PRO A 1 150 ? 27.639 -16.499 8.832 1.00 61.78 ? 126 PRO H HD2 1 ATOM 2292 H HD3 . PRO A 1 150 ? 28.934 -17.445 8.789 1.00 61.78 ? 126 PRO H HD3 1 ATOM 2293 N N . SER A 1 151 ? 26.104 -19.581 12.804 1.00 44.42 ? 127 SER H N 1 ATOM 2294 C CA . SER A 1 151 ? 24.980 -19.572 13.730 1.00 50.98 ? 127 SER H CA 1 ATOM 2295 C C . SER A 1 151 ? 25.455 -20.026 15.106 1.00 54.57 ? 127 SER H C 1 ATOM 2296 O O . SER A 1 151 ? 26.323 -20.892 15.215 1.00 55.05 ? 127 SER H O 1 ATOM 2297 C CB . SER A 1 151 ? 23.870 -20.495 13.226 1.00 52.04 ? 127 SER H CB 1 ATOM 2298 O OG . SER A 1 151 ? 22.743 -20.457 14.083 1.00 57.19 ? 127 SER H OG 1 ATOM 2299 H H . SER A 1 151 ? 26.603 -20.278 12.872 1.00 53.30 ? 127 SER H H 1 ATOM 2300 H HA . SER A 1 151 ? 24.622 -18.663 13.805 1.00 61.17 ? 127 SER H HA 1 ATOM 2301 H HB2 . SER A 1 151 ? 23.601 -20.209 12.340 1.00 62.44 ? 127 SER H HB2 1 ATOM 2302 H HB3 . SER A 1 151 ? 24.208 -21.404 13.192 1.00 62.44 ? 127 SER H HB3 1 ATOM 2303 H HG . SER A 1 151 ? 22.158 -20.957 13.800 1.00 68.63 ? 127 SER H HG 1 ATOM 2304 N N . SER A 1 152 ? 24.885 -19.443 16.154 1.00 58.95 ? 128 SER H N 1 ATOM 2305 C CA . SER A 1 152 ? 25.305 -19.753 17.514 1.00 60.34 ? 128 SER H CA 1 ATOM 2306 C C . SER A 1 152 ? 25.277 -21.257 17.759 1.00 55.46 ? 128 SER H C 1 ATOM 2307 O O . SER A 1 152 ? 24.253 -21.911 17.558 1.00 52.56 ? 128 SER H O 1 ATOM 2308 C CB . SER A 1 152 ? 24.408 -19.042 18.530 1.00 69.17 ? 128 SER H CB 1 ATOM 2309 O OG . SER A 1 152 ? 24.875 -19.250 19.852 1.00 75.10 ? 128 SER H OG 1 ATOM 2310 H H . SER A 1 152 ? 24.252 -18.863 16.104 1.00 70.74 ? 128 SER H H 1 ATOM 2311 H HA . SER A 1 152 ? 26.224 -19.440 17.646 1.00 72.41 ? 128 SER H HA 1 ATOM 2312 H HB2 . SER A 1 152 ? 24.411 -18.090 18.341 1.00 83.00 ? 128 SER H HB2 1 ATOM 2313 H HB3 . SER A 1 152 ? 23.507 -19.392 18.455 1.00 83.00 ? 128 SER H HB3 1 ATOM 2314 H HG . SER A 1 152 ? 24.387 -18.864 20.386 1.00 90.12 ? 128 SER H HG 1 ATOM 2315 N N . LYS A 1 153 ? 26.411 -21.800 18.190 1.00 56.35 ? 129 LYS H N 1 ATOM 2316 C CA . LYS A 1 153 ? 26.505 -23.212 18.528 1.00 59.89 ? 129 LYS H CA 1 ATOM 2317 C C . LYS A 1 153 ? 26.368 -23.363 20.035 1.00 71.32 ? 129 LYS H C 1 ATOM 2318 O O . LYS A 1 153 ? 25.305 -23.729 20.537 1.00 82.47 ? 129 LYS H O 1 ATOM 2319 C CB . LYS A 1 153 ? 27.834 -23.794 18.041 1.00 54.68 ? 129 LYS H CB 1 ATOM 2320 C CG . LYS A 1 153 ? 28.048 -25.256 18.395 1.00 52.56 ? 129 LYS H CG 1 ATOM 2321 C CD . LYS A 1 153 ? 29.087 -25.878 17.482 1.00 51.16 ? 129 LYS H CD 1 ATOM 2322 C CE . LYS A 1 153 ? 29.372 -27.319 17.850 1.00 51.57 ? 129 LYS H CE 1 ATOM 2323 N NZ . LYS A 1 153 ? 30.292 -27.447 19.011 1.00 53.92 ? 129 LYS H NZ 1 ATOM 2324 H H . LYS A 1 153 ? 27.146 -21.366 18.295 1.00 67.62 ? 129 LYS H H 1 ATOM 2325 H HA . LYS A 1 153 ? 25.774 -23.702 18.098 1.00 71.86 ? 129 LYS H HA 1 ATOM 2326 H HB2 . LYS A 1 153 ? 27.871 -23.717 17.075 1.00 65.62 ? 129 LYS H HB2 1 ATOM 2327 H HB3 . LYS A 1 153 ? 28.559 -23.286 18.437 1.00 65.62 ? 129 LYS H HB3 1 ATOM 2328 H HG2 . LYS A 1 153 ? 28.363 -25.324 19.310 1.00 63.08 ? 129 LYS H HG2 1 ATOM 2329 H HG3 . LYS A 1 153 ? 27.214 -25.740 18.286 1.00 63.08 ? 129 LYS H HG3 1 ATOM 2330 H HD2 . LYS A 1 153 ? 28.762 -25.857 16.568 1.00 61.39 ? 129 LYS H HD2 1 ATOM 2331 H HD3 . LYS A 1 153 ? 29.915 -25.378 17.554 1.00 61.39 ? 129 LYS H HD3 1 ATOM 2332 H HE2 . LYS A 1 153 ? 28.538 -27.758 18.079 1.00 61.88 ? 129 LYS H HE2 1 ATOM 2333 H HE3 . LYS A 1 153 ? 29.783 -27.764 17.091 1.00 61.88 ? 129 LYS H HE3 1 ATOM 2334 H HZ1 . LYS A 1 153 ? 31.071 -27.059 18.825 1.00 64.71 ? 129 LYS H HZ1 1 ATOM 2335 H HZ2 . LYS A 1 153 ? 29.936 -27.053 19.725 1.00 64.71 ? 129 LYS H HZ2 1 ATOM 2336 H HZ3 . LYS A 1 153 ? 30.433 -28.306 19.194 1.00 64.71 ? 129 LYS H HZ3 1 ATOM 2337 N N . SER A 1 154 ? 27.443 -23.067 20.758 1.00 70.93 ? 130 SER H N 1 ATOM 2338 C CA . SER A 1 154 ? 27.396 -23.077 22.210 1.00 76.95 ? 130 SER H CA 1 ATOM 2339 C C . SER A 1 154 ? 26.656 -21.838 22.690 1.00 82.88 ? 130 SER H C 1 ATOM 2340 O O . SER A 1 154 ? 27.202 -20.734 22.670 1.00 74.14 ? 130 SER H O 1 ATOM 2341 C CB . SER A 1 154 ? 28.808 -23.106 22.795 1.00 79.27 ? 130 SER H CB 1 ATOM 2342 O OG . SER A 1 154 ? 28.774 -23.237 24.205 1.00 84.54 ? 130 SER H OG 1 ATOM 2343 H H . SER A 1 154 ? 28.209 -22.858 20.430 1.00 85.11 ? 130 SER H H 1 ATOM 2344 H HA . SER A 1 154 ? 26.913 -23.871 22.519 1.00 92.34 ? 130 SER H HA 1 ATOM 2345 H HB2 . SER A 1 154 ? 29.288 -23.861 22.420 1.00 95.13 ? 130 SER H HB2 1 ATOM 2346 H HB3 . SER A 1 154 ? 29.261 -22.279 22.566 1.00 95.13 ? 130 SER H HB3 1 ATOM 2347 H HG . SER A 1 154 ? 27.997 -23.274 24.465 1.00 101.45 ? 130 SER H HG 1 ATOM 2348 N N . THR A 1 155 ? 25.407 -22.030 23.104 1.00 97.65 ? 131 THR H N 1 ATOM 2349 C CA . THR A 1 155 ? 24.596 -20.945 23.645 1.00 103.78 ? 131 THR H CA 1 ATOM 2350 C C . THR A 1 155 ? 25.499 -19.957 24.372 1.00 97.24 ? 131 THR H C 1 ATOM 2351 O O . THR A 1 155 ? 25.592 -18.788 23.995 1.00 87.38 ? 131 THR H O 1 ATOM 2352 C CB . THR A 1 155 ? 23.533 -21.485 24.613 1.00 109.15 ? 131 THR H CB 1 ATOM 2353 O OG1 . THR A 1 155 ? 24.141 -22.411 25.522 1.00 110.35 ? 131 THR H OG1 1 ATOM 2354 C CG2 . THR A 1 155 ? 22.424 -22.194 23.845 1.00 106.44 ? 131 THR H CG2 1 ATOM 2355 H H . THR A 1 155 ? 25.002 -22.788 23.082 1.00 117.19 ? 131 THR H H 1 ATOM 2356 H HA . THR A 1 155 ? 24.144 -20.476 22.913 1.00 124.53 ? 131 THR H HA 1 ATOM 2357 H HB . THR A 1 155 ? 23.143 -20.750 25.110 1.00 130.98 ? 131 THR H HB 1 ATOM 2358 H HG1 . THR A 1 155 ? 23.578 -22.704 26.042 1.00 132.42 ? 131 THR H HG1 1 ATOM 2359 H HG21 . THR A 1 155 ? 21.764 -22.528 24.457 1.00 127.73 ? 131 THR H HG21 1 ATOM 2360 H HG22 . THR A 1 155 ? 22.004 -21.582 23.236 1.00 127.73 ? 131 THR H HG22 1 ATOM 2361 H HG23 . THR A 1 155 ? 22.789 -22.929 23.347 1.00 127.73 ? 131 THR H HG23 1 ATOM 2362 N N . SER A 1 156 ? 26.163 -20.441 25.416 1.00 99.38 ? 132 SER H N 1 ATOM 2363 C CA . SER A 1 156 ? 27.267 -19.717 26.027 1.00 99.59 ? 132 SER H CA 1 ATOM 2364 C C . SER A 1 156 ? 28.548 -20.427 25.612 1.00 104.36 ? 132 SER H C 1 ATOM 2365 O O . SER A 1 156 ? 28.505 -21.369 24.825 1.00 107.59 ? 132 SER H O 1 ATOM 2366 C CB . SER A 1 156 ? 27.134 -19.697 27.547 1.00 95.67 ? 132 SER H CB 1 ATOM 2367 O OG . SER A 1 156 ? 27.322 -20.991 28.092 1.00 92.77 ? 132 SER H OG 1 ATOM 2368 H H . SER A 1 156 ? 25.990 -21.195 25.792 1.00 119.25 ? 132 SER H H 1 ATOM 2369 H HA . SER A 1 156 ? 27.290 -18.795 25.695 1.00 119.51 ? 132 SER H HA 1 ATOM 2370 H HB2 . SER A 1 156 ? 27.805 -19.100 27.914 1.00 114.80 ? 132 SER H HB2 1 ATOM 2371 H HB3 . SER A 1 156 ? 26.247 -19.382 27.781 1.00 114.80 ? 132 SER H HB3 1 ATOM 2372 H HG . SER A 1 156 ? 27.247 -20.965 28.908 1.00 111.32 ? 132 SER H HG 1 ATOM 2373 N N . GLY A 1 157 ? 29.687 -19.986 26.132 1.00 103.33 ? 133 GLY H N 1 ATOM 2374 C CA . GLY A 1 157 ? 30.958 -20.566 25.737 1.00 94.49 ? 133 GLY H CA 1 ATOM 2375 C C . GLY A 1 157 ? 31.503 -19.900 24.486 1.00 82.08 ? 133 GLY H C 1 ATOM 2376 O O . GLY A 1 157 ? 32.620 -20.185 24.055 1.00 74.60 ? 133 GLY H O 1 ATOM 2377 H H . GLY A 1 157 ? 29.749 -19.355 26.713 1.00 123.99 ? 133 GLY H H 1 ATOM 2378 H HA2 . GLY A 1 157 ? 31.603 -20.459 26.453 1.00 113.39 ? 133 GLY H HA2 1 ATOM 2379 H HA3 . GLY A 1 157 ? 30.844 -21.513 25.560 1.00 113.39 ? 133 GLY H HA3 1 ATOM 2380 N N . GLY A 1 158 ? 30.700 -19.019 23.897 1.00 79.21 ? 134 GLY H N 1 ATOM 2381 C CA . GLY A 1 158 ? 31.144 -18.189 22.793 1.00 75.14 ? 134 GLY H CA 1 ATOM 2382 C C . GLY A 1 158 ? 31.632 -18.951 21.576 1.00 67.99 ? 134 GLY H C 1 ATOM 2383 O O . GLY A 1 158 ? 32.737 -18.707 21.092 1.00 69.53 ? 134 GLY H O 1 ATOM 2384 H H . GLY A 1 158 ? 29.882 -18.885 24.125 1.00 95.06 ? 134 GLY H H 1 ATOM 2385 H HA2 . GLY A 1 158 ? 30.411 -17.619 22.513 1.00 90.17 ? 134 GLY H HA2 1 ATOM 2386 H HA3 . GLY A 1 158 ? 31.867 -17.619 23.098 1.00 90.17 ? 134 GLY H HA3 1 ATOM 2387 N N . THR A 1 159 ? 30.813 -19.869 21.074 1.00 60.97 ? 135 THR H N 1 ATOM 2388 C CA . THR A 1 159 ? 31.138 -20.576 19.840 1.00 59.09 ? 135 THR H CA 1 ATOM 2389 C C . THR A 1 159 ? 29.997 -20.479 18.836 1.00 58.00 ? 135 THR H C 1 ATOM 2390 O O . THR A 1 159 ? 28.822 -20.497 19.204 1.00 61.89 ? 135 THR H O 1 ATOM 2391 C CB . THR A 1 159 ? 31.451 -22.066 20.088 1.00 61.03 ? 135 THR H CB 1 ATOM 2392 O OG1 . THR A 1 159 ? 30.261 -22.750 20.495 1.00 61.92 ? 135 THR H OG1 1 ATOM 2393 C CG2 . THR A 1 159 ? 32.521 -22.222 21.154 1.00 64.99 ? 135 THR H CG2 1 ATOM 2394 H H . THR A 1 159 ? 30.063 -20.100 21.427 1.00 73.16 ? 135 THR H H 1 ATOM 2395 H HA . THR A 1 159 ? 31.931 -20.164 19.438 1.00 70.91 ? 135 THR H HA 1 ATOM 2396 H HB . THR A 1 159 ? 31.781 -22.463 19.267 1.00 73.24 ? 135 THR H HB 1 ATOM 2397 H HG1 . THR A 1 159 ? 30.424 -23.542 20.628 1.00 74.30 ? 135 THR H HG1 1 ATOM 2398 H HG21 . THR A 1 159 ? 32.706 -23.153 21.298 1.00 77.98 ? 135 THR H HG21 1 ATOM 2399 H HG22 . THR A 1 159 ? 33.328 -21.783 20.874 1.00 77.98 ? 135 THR H HG22 1 ATOM 2400 H HG23 . THR A 1 159 ? 32.222 -21.831 21.978 1.00 77.98 ? 135 THR H HG23 1 ATOM 2401 N N . ALA A 1 160 ? 30.362 -20.365 17.565 1.00 53.50 ? 136 ALA H N 1 ATOM 2402 C CA . ALA A 1 160 ? 29.401 -20.389 16.476 1.00 51.65 ? 136 ALA H CA 1 ATOM 2403 C C . ALA A 1 160 ? 29.768 -21.530 15.540 1.00 54.52 ? 136 ALA H C 1 ATOM 2404 O O . ALA A 1 160 ? 30.855 -22.099 15.638 1.00 54.36 ? 136 ALA H O 1 ATOM 2405 C CB . ALA A 1 160 ? 29.407 -19.067 15.731 1.00 47.75 ? 136 ALA H CB 1 ATOM 2406 H H . ALA A 1 160 ? 31.176 -20.270 17.305 1.00 64.20 ? 136 ALA H H 1 ATOM 2407 H HA . ALA A 1 160 ? 28.501 -20.549 16.830 1.00 61.98 ? 136 ALA H HA 1 ATOM 2408 H HB1 . ALA A 1 160 ? 28.765 -19.107 15.018 1.00 57.31 ? 136 ALA H HB1 1 ATOM 2409 H HB2 . ALA A 1 160 ? 29.174 -18.364 16.342 1.00 57.31 ? 136 ALA H HB2 1 ATOM 2410 H HB3 . ALA A 1 160 ? 30.285 -18.914 15.375 1.00 57.31 ? 136 ALA H HB3 1 ATOM 2411 N N . ALA A 1 161 ? 28.856 -21.865 14.636 1.00 55.33 ? 137 ALA H N 1 ATOM 2412 C CA . ALA A 1 161 ? 29.112 -22.899 13.646 1.00 50.19 ? 137 ALA H CA 1 ATOM 2413 C C . ALA A 1 161 ? 28.777 -22.381 12.255 1.00 49.97 ? 137 ALA H C 1 ATOM 2414 O O . ALA A 1 161 ? 27.688 -21.859 12.018 1.00 51.18 ? 137 ALA H O 1 ATOM 2415 C CB . ALA A 1 161 ? 28.302 -24.144 13.960 1.00 46.85 ? 137 ALA H CB 1 ATOM 2416 H H . ALA A 1 161 ? 28.077 -21.505 14.575 1.00 66.40 ? 137 ALA H H 1 ATOM 2417 H HA . ALA A 1 161 ? 30.062 -23.137 13.665 1.00 60.23 ? 137 ALA H HA 1 ATOM 2418 H HB1 . ALA A 1 161 ? 28.486 -24.811 13.295 1.00 56.22 ? 137 ALA H HB1 1 ATOM 2419 H HB2 . ALA A 1 161 ? 28.552 -24.468 14.828 1.00 56.22 ? 137 ALA H HB2 1 ATOM 2420 H HB3 . ALA A 1 161 ? 27.369 -23.920 13.950 1.00 56.22 ? 137 ALA H HB3 1 ATOM 2421 N N . LEU A 1 162 ? 29.732 -22.515 11.343 1.00 48.60 ? 138 LEU H N 1 ATOM 2422 C CA . LEU A 1 162 ? 29.518 -22.170 9.944 1.00 48.28 ? 138 LEU H CA 1 ATOM 2423 C C . LEU A 1 162 ? 30.035 -23.305 9.070 1.00 44.28 ? 138 LEU H C 1 ATOM 2424 O O . LEU A 1 162 ? 30.720 -24.205 9.556 1.00 38.35 ? 138 LEU H O 1 ATOM 2425 C CB . LEU A 1 162 ? 30.215 -20.851 9.598 1.00 50.22 ? 138 LEU H CB 1 ATOM 2426 C CG . LEU A 1 162 ? 31.706 -20.726 9.926 1.00 51.86 ? 138 LEU H CG 1 ATOM 2427 C CD1 . LEU A 1 162 ? 32.572 -21.378 8.856 1.00 52.30 ? 138 LEU H CD1 1 ATOM 2428 C CD2 . LEU A 1 162 ? 32.090 -19.262 10.106 1.00 54.49 ? 138 LEU H CD2 1 ATOM 2429 H H . LEU A 1 162 ? 30.523 -22.808 11.511 1.00 58.32 ? 138 LEU H H 1 ATOM 2430 H HA . LEU A 1 162 ? 28.558 -22.065 9.779 1.00 57.93 ? 138 LEU H HA 1 ATOM 2431 H HB2 . LEU A 1 162 ? 30.122 -20.705 8.644 1.00 60.27 ? 138 LEU H HB2 1 ATOM 2432 H HB3 . LEU A 1 162 ? 29.760 -20.138 10.074 1.00 60.27 ? 138 LEU H HB3 1 ATOM 2433 H HG . LEU A 1 162 ? 31.880 -21.182 10.764 1.00 62.23 ? 138 LEU H HG 1 ATOM 2434 H HD11 . LEU A 1 162 ? 33.495 -21.278 9.098 1.00 62.76 ? 138 LEU H HD11 1 ATOM 2435 H HD12 . LEU A 1 162 ? 32.347 -22.310 8.798 1.00 62.76 ? 138 LEU H HD12 1 ATOM 2436 H HD13 . LEU A 1 162 ? 32.405 -20.948 8.015 1.00 62.76 ? 138 LEU H HD13 1 ATOM 2437 H HD21 . LEU A 1 162 ? 33.026 -19.208 10.310 1.00 65.39 ? 138 LEU H HD21 1 ATOM 2438 H HD22 . LEU A 1 162 ? 31.904 -18.788 9.292 1.00 65.39 ? 138 LEU H HD22 1 ATOM 2439 H HD23 . LEU A 1 162 ? 31.575 -18.891 10.827 1.00 65.39 ? 138 LEU H HD23 1 ATOM 2440 N N . GLY A 1 163 ? 29.702 -23.272 7.786 1.00 47.78 ? 139 GLY H N 1 ATOM 2441 C CA . GLY A 1 163 ? 30.131 -24.325 6.886 1.00 50.32 ? 139 GLY H CA 1 ATOM 2442 C C . GLY A 1 163 ? 29.745 -24.099 5.440 1.00 52.98 ? 139 GLY H C 1 ATOM 2443 O O . GLY A 1 163 ? 29.234 -23.039 5.074 1.00 54.18 ? 139 GLY H O 1 ATOM 2444 H H . GLY A 1 163 ? 29.231 -22.655 7.415 1.00 57.33 ? 139 GLY H H 1 ATOM 2445 H HA2 . GLY A 1 163 ? 31.096 -24.407 6.931 1.00 60.38 ? 139 GLY H HA2 1 ATOM 2446 H HA3 . GLY A 1 163 ? 29.742 -25.166 7.174 1.00 60.38 ? 139 GLY H HA3 1 ATOM 2447 N N . CYS A 1 164 ? 29.999 -25.111 4.617 1.00 52.52 ? 140 CYS H N 1 ATOM 2448 C CA . CYS A 1 164 ? 29.656 -25.074 3.203 1.00 50.58 ? 140 CYS H CA 1 ATOM 2449 C C . CYS A 1 164 ? 28.719 -26.223 2.865 1.00 48.67 ? 140 CYS H C 1 ATOM 2450 O O . CYS A 1 164 ? 28.886 -27.339 3.357 1.00 48.89 ? 140 CYS H O 1 ATOM 2451 C CB . CYS A 1 164 ? 30.918 -25.168 2.341 1.00 48.12 ? 140 CYS H CB 1 ATOM 2452 S SG . CYS A 1 164 ? 31.764 -23.597 2.076 1.00 83.44 ? 140 CYS H SG 1 ATOM 2453 H H . CYS A 1 164 ? 30.377 -25.844 4.861 1.00 63.03 ? 140 CYS H H 1 ATOM 2454 H HA . CYS A 1 164 ? 29.201 -24.231 2.999 1.00 60.70 ? 140 CYS H HA 1 ATOM 2455 H HB2 . CYS A 1 164 ? 31.544 -25.770 2.773 1.00 57.74 ? 140 CYS H HB2 1 ATOM 2456 H HB3 . CYS A 1 164 ? 30.674 -25.520 1.471 1.00 57.74 ? 140 CYS H HB3 1 ATOM 2457 N N . LEU A 1 165 ? 27.727 -25.939 2.028 1.00 46.24 ? 141 LEU H N 1 ATOM 2458 C CA . LEU A 1 165 ? 26.822 -26.962 1.528 1.00 42.64 ? 141 LEU H CA 1 ATOM 2459 C C . LEU A 1 165 ? 27.204 -27.305 0.095 1.00 41.81 ? 141 LEU H C 1 ATOM 2460 O O . LEU A 1 165 ? 27.012 -26.505 -0.818 1.00 37.76 ? 141 LEU H O 1 ATOM 2461 C CB . LEU A 1 165 ? 25.373 -26.477 1.591 1.00 43.33 ? 141 LEU H CB 1 ATOM 2462 C CG . LEU A 1 165 ? 24.316 -27.472 1.107 1.00 47.17 ? 141 LEU H CG 1 ATOM 2463 C CD1 . LEU A 1 165 ? 24.436 -28.784 1.862 1.00 43.91 ? 141 LEU H CD1 1 ATOM 2464 C CD2 . LEU A 1 165 ? 22.921 -26.886 1.267 1.00 53.91 ? 141 LEU H CD2 1 ATOM 2465 H H . LEU A 1 165 ? 27.557 -25.149 1.732 1.00 55.48 ? 141 LEU H H 1 ATOM 2466 H HA . LEU A 1 165 ? 26.905 -27.771 2.076 1.00 51.17 ? 141 LEU H HA 1 ATOM 2467 H HB2 . LEU A 1 165 ? 25.164 -26.258 2.512 1.00 52.00 ? 141 LEU H HB2 1 ATOM 2468 H HB3 . LEU A 1 165 ? 25.293 -25.681 1.043 1.00 52.00 ? 141 LEU H HB3 1 ATOM 2469 H HG . LEU A 1 165 ? 24.460 -27.654 0.165 1.00 56.61 ? 141 LEU H HG 1 ATOM 2470 H HD11 . LEU A 1 165 ? 23.764 -29.390 1.542 1.00 52.69 ? 141 LEU H HD11 1 ATOM 2471 H HD12 . LEU A 1 165 ? 25.309 -29.152 1.710 1.00 52.69 ? 141 LEU H HD12 1 ATOM 2472 H HD13 . LEU A 1 165 ? 24.308 -28.617 2.798 1.00 52.69 ? 141 LEU H HD13 1 ATOM 2473 H HD21 . LEU A 1 165 ? 22.276 -27.527 0.958 1.00 64.69 ? 141 LEU H HD21 1 ATOM 2474 H HD22 . LEU A 1 165 ? 22.769 -26.690 2.195 1.00 64.69 ? 141 LEU H HD22 1 ATOM 2475 H HD23 . LEU A 1 165 ? 22.859 -26.082 0.747 1.00 64.69 ? 141 LEU H HD23 1 ATOM 2476 N N . VAL A 1 166 ? 27.760 -28.496 -0.089 1.00 44.19 ? 142 VAL H N 1 ATOM 2477 C CA . VAL A 1 166 ? 28.187 -28.961 -1.402 1.00 42.97 ? 142 VAL H CA 1 ATOM 2478 C C . VAL A 1 166 ? 27.162 -29.957 -1.920 1.00 42.75 ? 142 VAL H C 1 ATOM 2479 O O . VAL A 1 166 ? 27.100 -31.089 -1.444 1.00 45.54 ? 142 VAL H O 1 ATOM 2480 C CB . VAL A 1 166 ? 29.557 -29.654 -1.315 1.00 40.96 ? 142 VAL H CB 1 ATOM 2481 C CG1 . VAL A 1 166 ? 30.015 -30.119 -2.687 1.00 41.84 ? 142 VAL H CG1 1 ATOM 2482 C CG2 . VAL A 1 166 ? 30.583 -28.719 -0.691 1.00 39.71 ? 142 VAL H CG2 1 ATOM 2483 H H . VAL A 1 166 ? 27.903 -29.063 0.541 1.00 53.03 ? 142 VAL H H 1 ATOM 2484 H HA . VAL A 1 166 ? 28.247 -28.207 -2.025 1.00 51.57 ? 142 VAL H HA 1 ATOM 2485 H HB . VAL A 1 166 ? 29.479 -30.443 -0.739 1.00 49.15 ? 142 VAL H HB 1 ATOM 2486 H HG11 . VAL A 1 166 ? 30.871 -30.547 -2.602 1.00 50.21 ? 142 VAL H HG11 1 ATOM 2487 H HG12 . VAL A 1 166 ? 29.372 -30.740 -3.037 1.00 50.21 ? 142 VAL H HG12 1 ATOM 2488 H HG13 . VAL A 1 166 ? 30.085 -29.358 -3.268 1.00 50.21 ? 142 VAL H HG13 1 ATOM 2489 H HG21 . VAL A 1 166 ? 31.429 -29.170 -0.646 1.00 47.65 ? 142 VAL H HG21 1 ATOM 2490 H HG22 . VAL A 1 166 ? 30.659 -27.932 -1.236 1.00 47.65 ? 142 VAL H HG22 1 ATOM 2491 H HG23 . VAL A 1 166 ? 30.291 -28.480 0.192 1.00 47.65 ? 142 VAL H HG23 1 ATOM 2492 N N . LYS A 1 167 ? 26.353 -29.542 -2.890 1.00 43.81 ? 143 LYS H N 1 ATOM 2493 C CA . LYS A 1 167 ? 25.225 -30.366 -3.318 1.00 51.37 ? 143 LYS H CA 1 ATOM 2494 C C . LYS A 1 167 ? 25.209 -30.711 -4.806 1.00 49.54 ? 143 LYS H C 1 ATOM 2495 O O . LYS A 1 167 ? 25.664 -29.938 -5.650 1.00 46.71 ? 143 LYS H O 1 ATOM 2496 C CB . LYS A 1 167 ? 23.904 -29.694 -2.935 1.00 58.64 ? 143 LYS H CB 1 ATOM 2497 C CG . LYS A 1 167 ? 23.758 -28.259 -3.418 1.00 61.39 ? 143 LYS H CG 1 ATOM 2498 C CD . LYS A 1 167 ? 22.419 -27.668 -2.995 1.00 65.58 ? 143 LYS H CD 1 ATOM 2499 C CE . LYS A 1 167 ? 21.253 -28.424 -3.608 1.00 69.11 ? 143 LYS H CE 1 ATOM 2500 N NZ . LYS A 1 167 ? 19.968 -27.694 -3.432 1.00 71.29 ? 143 LYS H NZ 1 ATOM 2501 H H . LYS A 1 167 ? 26.432 -28.796 -3.311 1.00 52.57 ? 143 LYS H H 1 ATOM 2502 H HA . LYS A 1 167 ? 25.269 -31.214 -2.829 1.00 61.64 ? 143 LYS H HA 1 ATOM 2503 H HB2 . LYS A 1 167 ? 23.173 -30.207 -3.314 1.00 70.37 ? 143 LYS H HB2 1 ATOM 2504 H HB3 . LYS A 1 167 ? 23.829 -29.686 -1.968 1.00 70.37 ? 143 LYS H HB3 1 ATOM 2505 H HG2 . LYS A 1 167 ? 24.465 -27.718 -3.035 1.00 73.66 ? 143 LYS H HG2 1 ATOM 2506 H HG3 . LYS A 1 167 ? 23.806 -28.241 -4.387 1.00 73.66 ? 143 LYS H HG3 1 ATOM 2507 H HD2 . LYS A 1 167 ? 22.339 -27.718 -2.029 1.00 78.69 ? 143 LYS H HD2 1 ATOM 2508 H HD3 . LYS A 1 167 ? 22.370 -26.745 -3.288 1.00 78.69 ? 143 LYS H HD3 1 ATOM 2509 H HE2 . LYS A 1 167 ? 21.410 -28.537 -4.558 1.00 82.94 ? 143 LYS H HE2 1 ATOM 2510 H HE3 . LYS A 1 167 ? 21.172 -29.289 -3.177 1.00 82.94 ? 143 LYS H HE3 1 ATOM 2511 H HZ1 . LYS A 1 167 ? 19.798 -27.581 -2.566 1.00 85.55 ? 143 LYS H HZ1 1 ATOM 2512 H HZ2 . LYS A 1 167 ? 20.015 -26.896 -3.824 1.00 85.55 ? 143 LYS H HZ2 1 ATOM 2513 H HZ3 . LYS A 1 167 ? 19.303 -28.157 -3.799 1.00 85.55 ? 143 LYS H HZ3 1 ATOM 2514 N N . ASP A 1 168 ? 24.679 -31.896 -5.100 1.00 50.65 ? 144 ASP H N 1 ATOM 2515 C CA . ASP A 1 168 ? 24.420 -32.344 -6.466 1.00 52.50 ? 144 ASP H CA 1 ATOM 2516 C C . ASP A 1 168 ? 25.683 -32.483 -7.312 1.00 51.72 ? 144 ASP H C 1 ATOM 2517 O O . ASP A 1 168 ? 25.923 -31.691 -8.221 1.00 56.05 ? 144 ASP H O 1 ATOM 2518 C CB . ASP A 1 168 ? 23.425 -31.404 -7.152 1.00 56.67 ? 144 ASP H CB 1 ATOM 2519 C CG . ASP A 1 168 ? 22.068 -31.398 -6.473 1.00 64.77 ? 144 ASP H CG 1 ATOM 2520 O OD1 . ASP A 1 168 ? 21.718 -32.413 -5.834 1.00 62.80 ? 144 ASP H OD1 1 ATOM 2521 O OD2 . ASP A 1 168 ? 21.352 -30.381 -6.577 1.00 74.11 ? 144 ASP H OD2 1 ATOM 2522 H H . ASP A 1 168 ? 24.455 -32.475 -4.505 1.00 60.78 ? 144 ASP H H 1 ATOM 2523 H HA . ASP A 1 168 ? 24.001 -33.229 -6.423 1.00 63.00 ? 144 ASP H HA 1 ATOM 2524 H HB2 . ASP A 1 168 ? 23.776 -30.500 -7.131 1.00 68.01 ? 144 ASP H HB2 1 ATOM 2525 H HB3 . ASP A 1 168 ? 23.300 -31.691 -8.070 1.00 68.01 ? 144 ASP H HB3 1 ATOM 2526 N N . TYR A 1 169 ? 26.481 -33.503 -7.009 1.00 47.48 ? 145 TYR H N 1 ATOM 2527 C CA . TYR A 1 169 ? 27.655 -33.824 -7.812 1.00 47.09 ? 145 TYR H CA 1 ATOM 2528 C C . TYR A 1 169 ? 27.762 -35.328 -7.994 1.00 47.16 ? 145 TYR H C 1 ATOM 2529 O O . TYR A 1 169 ? 27.200 -36.099 -7.217 1.00 41.38 ? 145 TYR H O 1 ATOM 2530 C CB . TYR A 1 169 ? 28.924 -33.298 -7.147 1.00 43.99 ? 145 TYR H CB 1 ATOM 2531 C CG . TYR A 1 169 ? 29.226 -33.941 -5.814 1.00 42.67 ? 145 TYR H CG 1 ATOM 2532 C CD1 . TYR A 1 169 ? 30.005 -35.089 -5.735 1.00 39.73 ? 145 TYR H CD1 1 ATOM 2533 C CD2 . TYR A 1 169 ? 28.737 -33.398 -4.634 1.00 44.42 ? 145 TYR H CD2 1 ATOM 2534 C CE1 . TYR A 1 169 ? 30.286 -35.677 -4.518 1.00 38.86 ? 145 TYR H CE1 1 ATOM 2535 C CE2 . TYR A 1 169 ? 29.013 -33.979 -3.412 1.00 43.87 ? 145 TYR H CE2 1 ATOM 2536 C CZ . TYR A 1 169 ? 29.786 -35.121 -3.361 1.00 42.57 ? 145 TYR H CZ 1 ATOM 2537 O OH . TYR A 1 169 ? 30.067 -35.706 -2.149 1.00 42.15 ? 145 TYR H OH 1 ATOM 2538 H H . TYR A 1 169 ? 26.362 -34.028 -6.338 1.00 56.98 ? 145 TYR H H 1 ATOM 2539 H HA . TYR A 1 169 ? 27.571 -33.408 -8.695 1.00 56.51 ? 145 TYR H HA 1 ATOM 2540 H HB2 . TYR A 1 169 ? 29.677 -33.467 -7.734 1.00 52.78 ? 145 TYR H HB2 1 ATOM 2541 H HB3 . TYR A 1 169 ? 28.829 -32.344 -7.000 1.00 52.78 ? 145 TYR H HB3 1 ATOM 2542 H HD1 . TYR A 1 169 ? 30.342 -35.467 -6.514 1.00 47.67 ? 145 TYR H HD1 1 ATOM 2543 H HD2 . TYR A 1 169 ? 28.215 -32.629 -4.666 1.00 53.31 ? 145 TYR H HD2 1 ATOM 2544 H HE1 . TYR A 1 169 ? 30.808 -36.447 -4.479 1.00 46.63 ? 145 TYR H HE1 1 ATOM 2545 H HE2 . TYR A 1 169 ? 28.678 -33.605 -2.630 1.00 52.65 ? 145 TYR H HE2 1 ATOM 2546 H HH . TYR A 1 169 ? 30.878 -35.720 -2.025 1.00 50.58 ? 145 TYR H HH 1 ATOM 2547 N N . PHE A 1 170 ? 28.491 -35.745 -9.021 1.00 48.79 ? 146 PHE H N 1 ATOM 2548 C CA . PHE A 1 170 ? 28.680 -37.162 -9.287 1.00 46.12 ? 146 PHE H CA 1 ATOM 2549 C C . PHE A 1 170 ? 29.910 -37.355 -10.164 1.00 45.95 ? 146 PHE H C 1 ATOM 2550 O O . PHE A 1 170 ? 30.160 -36.555 -11.064 1.00 46.84 ? 146 PHE H O 1 ATOM 2551 C CB . PHE A 1 170 ? 27.434 -37.744 -9.966 1.00 47.52 ? 146 PHE H CB 1 ATOM 2552 C CG . PHE A 1 170 ? 27.472 -39.238 -10.134 1.00 49.75 ? 146 PHE H CG 1 ATOM 2553 C CD1 . PHE A 1 170 ? 27.113 -40.078 -9.091 1.00 52.15 ? 146 PHE H CD1 1 ATOM 2554 C CD2 . PHE A 1 170 ? 27.859 -39.801 -11.339 1.00 49.06 ? 146 PHE H CD2 1 ATOM 2555 C CE1 . PHE A 1 170 ? 27.146 -41.454 -9.246 1.00 54.78 ? 146 PHE H CE1 1 ATOM 2556 C CE2 . PHE A 1 170 ? 27.894 -41.173 -11.499 1.00 53.32 ? 146 PHE H CE2 1 ATOM 2557 C CZ . PHE A 1 170 ? 27.537 -42.000 -10.452 1.00 55.16 ? 146 PHE H CZ 1 ATOM 2558 H H . PHE A 1 170 ? 28.888 -35.225 -9.580 1.00 58.55 ? 146 PHE H H 1 ATOM 2559 H HA . PHE A 1 170 ? 28.823 -37.637 -8.442 1.00 55.35 ? 146 PHE H HA 1 ATOM 2560 H HB2 . PHE A 1 170 ? 26.656 -37.526 -9.429 1.00 57.03 ? 146 PHE H HB2 1 ATOM 2561 H HB3 . PHE A 1 170 ? 27.346 -37.349 -10.847 1.00 57.03 ? 146 PHE H HB3 1 ATOM 2562 H HD1 . PHE A 1 170 ? 26.850 -39.714 -8.276 1.00 62.57 ? 146 PHE H HD1 1 ATOM 2563 H HD2 . PHE A 1 170 ? 28.102 -39.249 -12.047 1.00 58.87 ? 146 PHE H HD2 1 ATOM 2564 H HE1 . PHE A 1 170 ? 26.905 -42.008 -8.540 1.00 65.74 ? 146 PHE H HE1 1 ATOM 2565 H HE2 . PHE A 1 170 ? 28.157 -41.539 -12.313 1.00 63.99 ? 146 PHE H HE2 1 ATOM 2566 H HZ . PHE A 1 170 ? 27.559 -42.924 -10.560 1.00 66.19 ? 146 PHE H HZ 1 ATOM 2567 N N . PRO A 1 171 ? 30.704 -38.398 -9.884 1.00 47.42 ? 147 PRO H N 1 ATOM 2568 C CA . PRO A 1 171 ? 30.562 -39.304 -8.744 1.00 48.35 ? 147 PRO H CA 1 ATOM 2569 C C . PRO A 1 171 ? 31.376 -38.793 -7.563 1.00 52.35 ? 147 PRO H C 1 ATOM 2570 O O . PRO A 1 171 ? 31.868 -37.668 -7.611 1.00 56.59 ? 147 PRO H O 1 ATOM 2571 C CB . PRO A 1 171 ? 31.162 -40.602 -9.276 1.00 48.65 ? 147 PRO H CB 1 ATOM 2572 C CG . PRO A 1 171 ? 32.255 -40.140 -10.185 1.00 50.72 ? 147 PRO H CG 1 ATOM 2573 C CD . PRO A 1 171 ? 31.813 -38.811 -10.763 1.00 50.83 ? 147 PRO H CD 1 ATOM 2574 H HA . PRO A 1 171 ? 29.623 -39.431 -8.494 1.00 58.02 ? 147 PRO H HA 1 ATOM 2575 H HB2 . PRO A 1 171 ? 31.519 -41.127 -8.542 1.00 58.39 ? 147 PRO H HB2 1 ATOM 2576 H HB3 . PRO A 1 171 ? 30.490 -41.101 -9.766 1.00 58.39 ? 147 PRO H HB3 1 ATOM 2577 H HG2 . PRO A 1 171 ? 33.074 -40.031 -9.676 1.00 60.86 ? 147 PRO H HG2 1 ATOM 2578 H HG3 . PRO A 1 171 ? 32.382 -40.791 -10.893 1.00 60.86 ? 147 PRO H HG3 1 ATOM 2579 H HD2 . PRO A 1 171 ? 32.536 -38.166 -10.719 1.00 61.00 ? 147 PRO H HD2 1 ATOM 2580 H HD3 . PRO A 1 171 ? 31.496 -38.927 -11.672 1.00 61.00 ? 147 PRO H HD3 1 ATOM 2581 N N . GLU A 1 172 ? 31.518 -39.603 -6.521 1.00 52.06 ? 148 GLU H N 1 ATOM 2582 C CA . GLU A 1 172 ? 32.398 -39.251 -5.417 1.00 53.37 ? 148 GLU H CA 1 ATOM 2583 C C . GLU A 1 172 ? 33.848 -39.388 -5.875 1.00 51.71 ? 148 GLU H C 1 ATOM 2584 O O . GLU A 1 172 ? 34.118 -40.022 -6.894 1.00 57.11 ? 148 GLU H O 1 ATOM 2585 C CB . GLU A 1 172 ? 32.124 -40.148 -4.207 1.00 60.50 ? 148 GLU H CB 1 ATOM 2586 C CG . GLU A 1 172 ? 30.756 -39.937 -3.578 1.00 66.90 ? 148 GLU H CG 1 ATOM 2587 C CD . GLU A 1 172 ? 30.669 -40.494 -2.169 1.00 74.50 ? 148 GLU H CD 1 ATOM 2588 O OE1 . GLU A 1 172 ? 30.035 -41.555 -1.984 1.00 83.26 ? 148 GLU H OE1 1 ATOM 2589 O OE2 . GLU A 1 172 ? 31.232 -39.869 -1.245 1.00 71.37 ? 148 GLU H OE2 1 ATOM 2590 H H . GLU A 1 172 ? 31.118 -40.358 -6.430 1.00 62.47 ? 148 GLU H H 1 ATOM 2591 H HA . GLU A 1 172 ? 32.240 -38.319 -5.156 1.00 64.04 ? 148 GLU H HA 1 ATOM 2592 H HB2 . GLU A 1 172 ? 32.180 -41.075 -4.488 1.00 72.60 ? 148 GLU H HB2 1 ATOM 2593 H HB3 . GLU A 1 172 ? 32.793 -39.970 -3.528 1.00 72.60 ? 148 GLU H HB3 1 ATOM 2594 H HG2 . GLU A 1 172 ? 30.570 -38.986 -3.537 1.00 80.28 ? 148 GLU H HG2 1 ATOM 2595 H HG3 . GLU A 1 172 ? 30.086 -40.383 -4.119 1.00 80.28 ? 148 GLU H HG3 1 ATOM 2596 N N . PRO A 1 173 ? 34.789 -38.798 -5.123 1.00 48.11 ? 149 PRO H N 1 ATOM 2597 C CA . PRO A 1 173 ? 34.554 -38.006 -3.917 1.00 47.32 ? 149 PRO H CA 1 ATOM 2598 C C . PRO A 1 173 ? 34.817 -36.519 -4.122 1.00 48.16 ? 149 PRO H C 1 ATOM 2599 O O . PRO A 1 173 ? 35.403 -36.116 -5.127 1.00 47.45 ? 149 PRO H O 1 ATOM 2600 C CB . PRO A 1 173 ? 35.598 -38.567 -2.959 1.00 48.61 ? 149 PRO H CB 1 ATOM 2601 C CG . PRO A 1 173 ? 36.779 -38.841 -3.865 1.00 53.24 ? 149 PRO H CG 1 ATOM 2602 C CD . PRO A 1 173 ? 36.215 -39.147 -5.249 1.00 51.57 ? 149 PRO H CD 1 ATOM 2603 H HA . PRO A 1 173 ? 33.652 -38.151 -3.562 1.00 56.79 ? 149 PRO H HA 1 ATOM 2604 H HB2 . PRO A 1 173 ? 35.820 -37.907 -2.285 1.00 58.34 ? 149 PRO H HB2 1 ATOM 2605 H HB3 . PRO A 1 173 ? 35.271 -39.386 -2.554 1.00 58.34 ? 149 PRO H HB3 1 ATOM 2606 H HG2 . PRO A 1 173 ? 37.347 -38.055 -3.898 1.00 63.88 ? 149 PRO H HG2 1 ATOM 2607 H HG3 . PRO A 1 173 ? 37.275 -39.602 -3.526 1.00 63.88 ? 149 PRO H HG3 1 ATOM 2608 H HD2 . PRO A 1 173 ? 36.641 -38.591 -5.919 1.00 61.89 ? 149 PRO H HD2 1 ATOM 2609 H HD3 . PRO A 1 173 ? 36.314 -40.090 -5.454 1.00 61.89 ? 149 PRO H HD3 1 ATOM 2610 N N . VAL A 1 174 ? 34.382 -35.720 -3.155 1.00 52.87 ? 150 VAL H N 1 ATOM 2611 C CA . VAL A 1 174 ? 34.707 -34.303 -3.110 1.00 56.74 ? 150 VAL H CA 1 ATOM 2612 C C . VAL A 1 174 ? 35.617 -34.045 -1.918 1.00 58.36 ? 150 VAL H C 1 ATOM 2613 O O . VAL A 1 174 ? 35.397 -34.584 -0.833 1.00 62.30 ? 150 VAL H O 1 ATOM 2614 C CB . VAL A 1 174 ? 33.440 -33.433 -2.974 1.00 58.55 ? 150 VAL H CB 1 ATOM 2615 C CG1 . VAL A 1 174 ? 33.771 -32.093 -2.323 1.00 61.47 ? 150 VAL H CG1 1 ATOM 2616 C CG2 . VAL A 1 174 ? 32.783 -33.228 -4.332 1.00 58.02 ? 150 VAL H CG2 1 ATOM 2617 H H . VAL A 1 174 ? 33.887 -35.981 -2.502 1.00 63.44 ? 150 VAL H H 1 ATOM 2618 H HA . VAL A 1 174 ? 35.180 -34.045 -3.929 1.00 68.08 ? 150 VAL H HA 1 ATOM 2619 H HB . VAL A 1 174 ? 32.798 -33.897 -2.397 1.00 70.27 ? 150 VAL H HB 1 ATOM 2620 H HG11 . VAL A 1 174 ? 32.967 -31.574 -2.251 1.00 73.76 ? 150 VAL H HG11 1 ATOM 2621 H HG12 . VAL A 1 174 ? 34.138 -32.252 -1.451 1.00 73.76 ? 150 VAL H HG12 1 ATOM 2622 H HG13 . VAL A 1 174 ? 34.412 -31.631 -2.869 1.00 73.76 ? 150 VAL H HG13 1 ATOM 2623 H HG21 . VAL A 1 174 ? 31.999 -32.686 -4.221 1.00 69.63 ? 150 VAL H HG21 1 ATOM 2624 H HG22 . VAL A 1 174 ? 33.405 -32.789 -4.917 1.00 69.63 ? 150 VAL H HG22 1 ATOM 2625 H HG23 . VAL A 1 174 ? 32.541 -34.084 -4.694 1.00 69.63 ? 150 VAL H HG23 1 ATOM 2626 N N . THR A 1 175 ? 36.644 -33.229 -2.124 1.00 55.83 ? 151 THR H N 1 ATOM 2627 C CA . THR A 1 175 ? 37.526 -32.834 -1.035 1.00 55.60 ? 151 THR H CA 1 ATOM 2628 C C . THR A 1 175 ? 37.205 -31.411 -0.602 1.00 50.67 ? 151 THR H C 1 ATOM 2629 O O . THR A 1 175 ? 36.906 -30.550 -1.431 1.00 51.07 ? 151 THR H O 1 ATOM 2630 C CB . THR A 1 175 ? 39.009 -32.910 -1.441 1.00 65.18 ? 151 THR H CB 1 ATOM 2631 O OG1 . THR A 1 175 ? 39.260 -32.012 -2.529 1.00 71.74 ? 151 THR H OG1 1 ATOM 2632 C CG2 . THR A 1 175 ? 39.381 -34.325 -1.855 1.00 68.05 ? 151 THR H CG2 1 ATOM 2633 H H . THR A 1 175 ? 36.852 -32.890 -2.887 1.00 67.00 ? 151 THR H H 1 ATOM 2634 H HA . THR A 1 175 ? 37.385 -33.430 -0.270 1.00 66.72 ? 151 THR H HA 1 ATOM 2635 H HB . THR A 1 175 ? 39.561 -32.659 -0.685 1.00 78.22 ? 151 THR H HB 1 ATOM 2636 H HG1 . THR A 1 175 ? 40.049 -32.050 -2.748 1.00 86.09 ? 151 THR H HG1 1 ATOM 2637 H HG21 . THR A 1 175 ? 40.307 -34.360 -2.106 1.00 81.67 ? 151 THR H HG21 1 ATOM 2638 H HG22 . THR A 1 175 ? 39.233 -34.930 -1.124 1.00 81.67 ? 151 THR H HG22 1 ATOM 2639 H HG23 . THR A 1 175 ? 38.845 -34.600 -2.602 1.00 81.67 ? 151 THR H HG23 1 ATOM 2640 N N . VAL A 1 176 ? 37.261 -31.173 0.704 1.00 47.44 ? 152 VAL H N 1 ATOM 2641 C CA . VAL A 1 176 ? 36.984 -29.853 1.255 1.00 48.21 ? 152 VAL H CA 1 ATOM 2642 C C . VAL A 1 176 ? 38.045 -29.458 2.275 1.00 48.60 ? 152 VAL H C 1 ATOM 2643 O O . VAL A 1 176 ? 38.459 -30.267 3.105 1.00 51.04 ? 152 VAL H O 1 ATOM 2644 C CB . VAL A 1 176 ? 35.602 -29.804 1.934 1.00 46.40 ? 152 VAL H CB 1 ATOM 2645 C CG1 . VAL A 1 176 ? 35.360 -28.432 2.543 1.00 42.17 ? 152 VAL H CG1 1 ATOM 2646 C CG2 . VAL A 1 176 ? 34.508 -30.143 0.937 1.00 48.43 ? 152 VAL H CG2 1 ATOM 2647 H H . VAL A 1 176 ? 37.459 -31.764 1.296 1.00 56.93 ? 152 VAL H H 1 ATOM 2648 H HA . VAL A 1 176 ? 36.993 -29.193 0.531 1.00 57.85 ? 152 VAL H HA 1 ATOM 2649 H HB . VAL A 1 176 ? 35.575 -30.467 2.655 1.00 55.68 ? 152 VAL H HB 1 ATOM 2650 H HG11 . VAL A 1 176 ? 34.495 -28.424 2.960 1.00 50.60 ? 152 VAL H HG11 1 ATOM 2651 H HG12 . VAL A 1 176 ? 36.040 -28.256 3.197 1.00 50.60 ? 152 VAL H HG12 1 ATOM 2652 H HG13 . VAL A 1 176 ? 35.394 -27.771 1.847 1.00 50.60 ? 152 VAL H HG13 1 ATOM 2653 H HG21 . VAL A 1 176 ? 33.658 -30.105 1.382 1.00 58.12 ? 152 VAL H HG21 1 ATOM 2654 H HG22 . VAL A 1 176 ? 34.530 -29.505 0.220 1.00 58.12 ? 152 VAL H HG22 1 ATOM 2655 H HG23 . VAL A 1 176 ? 34.660 -31.026 0.595 1.00 58.12 ? 152 VAL H HG23 1 ATOM 2656 N N . SER A 1 177 ? 38.484 -28.207 2.196 1.00 45.69 ? 153 SER H N 1 ATOM 2657 C CA . SER A 1 177 ? 39.429 -27.658 3.158 1.00 44.48 ? 153 SER H CA 1 ATOM 2658 C C . SER A 1 177 ? 39.025 -26.225 3.471 1.00 44.33 ? 153 SER H C 1 ATOM 2659 O O . SER A 1 177 ? 38.180 -25.651 2.787 1.00 42.50 ? 153 SER H O 1 ATOM 2660 C CB . SER A 1 177 ? 40.856 -27.700 2.606 1.00 43.75 ? 153 SER H CB 1 ATOM 2661 O OG . SER A 1 177 ? 41.037 -26.761 1.559 1.00 43.25 ? 153 SER H OG 1 ATOM 2662 H H . SER A 1 177 ? 38.246 -27.650 1.586 1.00 54.83 ? 153 SER H H 1 ATOM 2663 H HA . SER A 1 177 ? 39.397 -28.181 3.986 1.00 53.38 ? 153 SER H HA 1 ATOM 2664 H HB2 . SER A 1 177 ? 41.476 -27.492 3.323 1.00 52.49 ? 153 SER H HB2 1 ATOM 2665 H HB3 . SER A 1 177 ? 41.034 -28.589 2.264 1.00 52.49 ? 153 SER H HB3 1 ATOM 2666 H HG . SER A 1 177 ? 40.339 -26.352 1.426 1.00 51.89 ? 153 SER H HG 1 ATOM 2667 N N . TRP A 1 178 ? 39.632 -25.649 4.501 1.00 44.03 ? 154 TRP H N 1 ATOM 2668 C CA . TRP A 1 178 ? 39.308 -24.289 4.905 1.00 40.49 ? 154 TRP H CA 1 ATOM 2669 C C . TRP A 1 178 ? 40.548 -23.409 4.904 1.00 42.20 ? 154 TRP H C 1 ATOM 2670 O O . TRP A 1 178 ? 41.603 -23.805 5.398 1.00 45.22 ? 154 TRP H O 1 ATOM 2671 C CB . TRP A 1 178 ? 38.643 -24.294 6.280 1.00 39.09 ? 154 TRP H CB 1 ATOM 2672 C CG . TRP A 1 178 ? 37.288 -24.920 6.248 1.00 41.80 ? 154 TRP H CG 1 ATOM 2673 C CD1 . TRP A 1 178 ? 36.990 -26.242 6.400 1.00 43.62 ? 154 TRP H CD1 1 ATOM 2674 C CD2 . TRP A 1 178 ? 36.041 -24.249 6.032 1.00 43.99 ? 154 TRP H CD2 1 ATOM 2675 N NE1 . TRP A 1 178 ? 35.633 -26.435 6.298 1.00 44.25 ? 154 TRP H NE1 1 ATOM 2676 C CE2 . TRP A 1 178 ? 35.028 -25.227 6.073 1.00 45.67 ? 154 TRP H CE2 1 ATOM 2677 C CE3 . TRP A 1 178 ? 35.683 -22.916 5.811 1.00 41.86 ? 154 TRP H CE3 1 ATOM 2678 C CZ2 . TRP A 1 178 ? 33.683 -24.914 5.902 1.00 46.41 ? 154 TRP H CZ2 1 ATOM 2679 C CZ3 . TRP A 1 178 ? 34.346 -22.607 5.642 1.00 41.55 ? 154 TRP H CZ3 1 ATOM 2680 C CH2 . TRP A 1 178 ? 33.363 -23.602 5.689 1.00 44.16 ? 154 TRP H CH2 1 ATOM 2681 H H . TRP A 1 178 ? 40.236 -26.025 4.983 1.00 52.84 ? 154 TRP H H 1 ATOM 2682 H HA . TRP A 1 178 ? 38.670 -23.911 4.264 1.00 48.59 ? 154 TRP H HA 1 ATOM 2683 H HB2 . TRP A 1 178 ? 39.195 -24.800 6.898 1.00 46.91 ? 154 TRP H HB2 1 ATOM 2684 H HB3 . TRP A 1 178 ? 38.547 -23.380 6.590 1.00 46.91 ? 154 TRP H HB3 1 ATOM 2685 H HD1 . TRP A 1 178 ? 37.614 -26.915 6.552 1.00 52.34 ? 154 TRP H HD1 1 ATOM 2686 H HE1 . TRP A 1 178 ? 35.229 -27.192 6.366 1.00 53.09 ? 154 TRP H HE1 1 ATOM 2687 H HE3 . TRP A 1 178 ? 36.331 -22.249 5.779 1.00 50.23 ? 154 TRP H HE3 1 ATOM 2688 H HZ2 . TRP A 1 178 ? 33.026 -25.572 5.932 1.00 55.69 ? 154 TRP H HZ2 1 ATOM 2689 H HZ3 . TRP A 1 178 ? 34.096 -21.724 5.495 1.00 49.86 ? 154 TRP H HZ3 1 ATOM 2690 H HH2 . TRP A 1 178 ? 32.471 -23.364 5.572 1.00 53.00 ? 154 TRP H HH2 1 ATOM 2691 N N . ASN A 1 179 ? 40.410 -22.215 4.338 1.00 41.26 ? 155 ASN H N 1 ATOM 2692 C CA . ASN A 1 179 ? 41.531 -21.299 4.185 1.00 45.31 ? 155 ASN H CA 1 ATOM 2693 C C . ASN A 1 179 ? 42.759 -22.030 3.660 1.00 45.72 ? 155 ASN H C 1 ATOM 2694 O O . ASN A 1 179 ? 43.876 -21.824 4.140 1.00 47.53 ? 155 ASN H O 1 ATOM 2695 C CB . ASN A 1 179 ? 41.840 -20.604 5.511 1.00 49.35 ? 155 ASN H CB 1 ATOM 2696 C CG . ASN A 1 179 ? 40.647 -19.847 6.058 1.00 51.64 ? 155 ASN H CG 1 ATOM 2697 O OD1 . ASN A 1 179 ? 39.681 -19.592 5.339 1.00 48.69 ? 155 ASN H OD1 1 ATOM 2698 N ND2 . ASN A 1 179 ? 40.708 -19.479 7.333 1.00 55.95 ? 155 ASN H ND2 1 ATOM 2699 H H . ASN A 1 179 ? 39.667 -21.909 4.031 1.00 49.52 ? 155 ASN H H 1 ATOM 2700 H HA . ASN A 1 179 ? 41.290 -20.609 3.533 1.00 54.37 ? 155 ASN H HA 1 ATOM 2701 H HB2 . ASN A 1 179 ? 42.100 -21.271 6.166 1.00 59.22 ? 155 ASN H HB2 1 ATOM 2702 H HB3 . ASN A 1 179 ? 42.563 -19.971 5.376 1.00 59.22 ? 155 ASN H HB3 1 ATOM 2703 H HD21 . ASN A 1 179 ? 41.402 -19.672 7.804 1.00 67.14 ? 155 ASN H HD21 1 ATOM 2704 H HD22 . ASN A 1 179 ? 40.055 -19.047 7.688 1.00 67.14 ? 155 ASN H HD22 1 ATOM 2705 N N . SER A 1 180 ? 42.533 -22.895 2.676 1.00 44.66 ? 156 SER H N 1 ATOM 2706 C CA . SER A 1 180 ? 43.612 -23.596 1.994 1.00 48.36 ? 156 SER H CA 1 ATOM 2707 C C . SER A 1 180 ? 44.360 -24.532 2.940 1.00 52.49 ? 156 SER H C 1 ATOM 2708 O O . SER A 1 180 ? 45.557 -24.772 2.775 1.00 55.20 ? 156 SER H O 1 ATOM 2709 C CB . SER A 1 180 ? 44.575 -22.584 1.372 1.00 47.65 ? 156 SER H CB 1 ATOM 2710 O OG . SER A 1 180 ? 43.859 -21.610 0.631 1.00 47.96 ? 156 SER H OG 1 ATOM 2711 H H . SER A 1 180 ? 41.750 -23.096 2.383 1.00 53.59 ? 156 SER H H 1 ATOM 2712 H HA . SER A 1 180 ? 43.233 -24.138 1.270 1.00 58.04 ? 156 SER H HA 1 ATOM 2713 H HB2 . SER A 1 180 ? 45.071 -22.143 2.079 1.00 57.18 ? 156 SER H HB2 1 ATOM 2714 H HB3 . SER A 1 180 ? 45.184 -23.050 0.779 1.00 57.18 ? 156 SER H HB3 1 ATOM 2715 H HG . SER A 1 180 ? 44.381 -21.070 0.300 1.00 57.55 ? 156 SER H HG 1 ATOM 2716 N N . GLY A 1 181 ? 43.647 -25.059 3.929 1.00 54.71 ? 157 GLY H N 1 ATOM 2717 C CA . GLY A 1 181 ? 44.228 -26.001 4.869 1.00 54.69 ? 157 GLY H CA 1 ATOM 2718 C C . GLY A 1 181 ? 44.882 -25.340 6.068 1.00 54.17 ? 157 GLY H C 1 ATOM 2719 O O . GLY A 1 181 ? 45.355 -26.025 6.974 1.00 52.85 ? 157 GLY H O 1 ATOM 2720 H H . GLY A 1 181 ? 42.818 -24.884 4.077 1.00 65.65 ? 157 GLY H H 1 ATOM 2721 H HA2 . GLY A 1 181 ? 43.534 -26.597 5.192 1.00 65.63 ? 157 GLY H HA2 1 ATOM 2722 H HA3 . GLY A 1 181 ? 44.898 -26.533 4.413 1.00 65.63 ? 157 GLY H HA3 1 ATOM 2723 N N . ALA A 1 182 ? 44.917 -24.011 6.077 1.00 55.03 ? 158 ALA H N 1 ATOM 2724 C CA . ALA A 1 182 ? 45.484 -23.274 7.201 1.00 57.04 ? 158 ALA H CA 1 ATOM 2725 C C . ALA A 1 182 ? 44.623 -23.467 8.444 1.00 58.50 ? 158 ALA H C 1 ATOM 2726 O O . ALA A 1 182 ? 45.122 -23.440 9.569 1.00 61.30 ? 158 ALA H O 1 ATOM 2727 C CB . ALA A 1 182 ? 45.594 -21.801 6.863 1.00 55.67 ? 158 ALA H CB 1 ATOM 2728 H H . ALA A 1 182 ? 44.618 -23.512 5.443 1.00 66.04 ? 158 ALA H H 1 ATOM 2729 H HA . ALA A 1 182 ? 46.383 -23.615 7.392 1.00 68.45 ? 158 ALA H HA 1 ATOM 2730 H HB1 . ALA A 1 182 ? 45.968 -21.336 7.614 1.00 66.81 ? 158 ALA H HB1 1 ATOM 2731 H HB2 . ALA A 1 182 ? 46.163 -21.699 6.096 1.00 66.81 ? 158 ALA H HB2 1 ATOM 2732 H HB3 . ALA A 1 182 ? 44.718 -21.459 6.668 1.00 66.81 ? 158 ALA H HB3 1 ATOM 2733 N N . LEU A 1 183 ? 43.325 -23.657 8.228 1.00 56.75 ? 159 LEU H N 1 ATOM 2734 C CA . LEU A 1 183 ? 42.384 -23.876 9.320 1.00 54.68 ? 159 LEU H CA 1 ATOM 2735 C C . LEU A 1 183 ? 42.022 -25.353 9.430 1.00 53.31 ? 159 LEU H C 1 ATOM 2736 O O . LEU A 1 183 ? 41.406 -25.920 8.527 1.00 51.80 ? 159 LEU H O 1 ATOM 2737 C CB . LEU A 1 183 ? 41.118 -23.047 9.100 1.00 51.15 ? 159 LEU H CB 1 ATOM 2738 C CG . LEU A 1 183 ? 40.035 -23.188 10.172 1.00 47.08 ? 159 LEU H CG 1 ATOM 2739 C CD1 . LEU A 1 183 ? 40.543 -22.696 11.519 1.00 48.89 ? 159 LEU H CD1 1 ATOM 2740 C CD2 . LEU A 1 183 ? 38.777 -22.439 9.760 1.00 44.33 ? 159 LEU H CD2 1 ATOM 2741 H H . LEU A 1 183 ? 42.961 -23.664 7.449 1.00 68.10 ? 159 LEU H H 1 ATOM 2742 H HA . LEU A 1 183 ? 42.795 -23.595 10.164 1.00 65.62 ? 159 LEU H HA 1 ATOM 2743 H HB2 . LEU A 1 183 ? 41.368 -22.111 9.062 1.00 61.38 ? 159 LEU H HB2 1 ATOM 2744 H HB3 . LEU A 1 183 ? 40.724 -23.310 8.253 1.00 61.38 ? 159 LEU H HB3 1 ATOM 2745 H HG . LEU A 1 183 ? 39.805 -24.126 10.264 1.00 56.49 ? 159 LEU H HG 1 ATOM 2746 H HD11 . LEU A 1 183 ? 39.845 -22.796 12.171 1.00 58.67 ? 159 LEU H HD11 1 ATOM 2747 H HD12 . LEU A 1 183 ? 41.307 -23.219 11.774 1.00 58.67 ? 159 LEU H HD12 1 ATOM 2748 H HD13 . LEU A 1 183 ? 40.789 -21.772 11.441 1.00 58.67 ? 159 LEU H HD13 1 ATOM 2749 H HD21 . LEU A 1 183 ? 38.113 -22.541 10.446 1.00 53.20 ? 159 LEU H HD21 1 ATOM 2750 H HD22 . LEU A 1 183 ? 38.990 -21.510 9.647 1.00 53.20 ? 159 LEU H HD22 1 ATOM 2751 H HD23 . LEU A 1 183 ? 38.452 -22.804 8.933 1.00 53.20 ? 159 LEU H HD23 1 ATOM 2752 N N . THR A 1 184 ? 42.410 -25.969 10.541 1.00 54.58 ? 160 THR H N 1 ATOM 2753 C CA . THR A 1 184 ? 42.127 -27.381 10.783 1.00 55.18 ? 160 THR H CA 1 ATOM 2754 C C . THR A 1 184 ? 41.269 -27.577 12.030 1.00 55.09 ? 160 THR H C 1 ATOM 2755 O O . THR A 1 184 ? 40.331 -28.376 12.030 1.00 51.16 ? 160 THR H O 1 ATOM 2756 C CB . THR A 1 184 ? 43.427 -28.189 10.954 1.00 55.53 ? 160 THR H CB 1 ATOM 2757 O OG1 . THR A 1 184 ? 44.356 -27.445 11.752 1.00 63.58 ? 160 THR H OG1 1 ATOM 2758 C CG2 . THR A 1 184 ? 44.055 -28.485 9.602 1.00 48.95 ? 160 THR H CG2 1 ATOM 2759 H H . THR A 1 184 ? 42.845 -25.587 11.178 1.00 65.50 ? 160 THR H H 1 ATOM 2760 H HA . THR A 1 184 ? 41.638 -27.746 10.016 1.00 66.21 ? 160 THR H HA 1 ATOM 2761 H HB . THR A 1 184 ? 43.228 -29.032 11.391 1.00 66.63 ? 160 THR H HB 1 ATOM 2762 H HG1 . THR A 1 184 ? 45.050 -27.871 11.846 1.00 76.30 ? 160 THR H HG1 1 ATOM 2763 H HG21 . THR A 1 184 ? 44.863 -28.989 9.720 1.00 58.74 ? 160 THR H HG21 1 ATOM 2764 H HG22 . THR A 1 184 ? 43.446 -28.994 9.062 1.00 58.74 ? 160 THR H HG22 1 ATOM 2765 H HG23 . THR A 1 184 ? 44.261 -27.664 9.150 1.00 58.74 ? 160 THR H HG23 1 ATOM 2766 N N . SER A 1 185 ? 41.603 -26.846 13.089 1.00 58.50 ? 161 SER H N 1 ATOM 2767 C CA . SER A 1 185 ? 40.901 -26.956 14.363 1.00 60.37 ? 161 SER H CA 1 ATOM 2768 C C . SER A 1 185 ? 39.391 -26.805 14.217 1.00 55.88 ? 161 SER H C 1 ATOM 2769 O O . SER A 1 185 ? 38.904 -25.837 13.634 1.00 58.06 ? 161 SER H O 1 ATOM 2770 C CB . SER A 1 185 ? 41.422 -25.899 15.338 1.00 67.57 ? 161 SER H CB 1 ATOM 2771 O OG . SER A 1 185 ? 40.664 -25.894 16.536 1.00 70.32 ? 161 SER H OG 1 ATOM 2772 H H . SER A 1 185 ? 42.243 -26.271 13.095 1.00 70.21 ? 161 SER H H 1 ATOM 2773 H HA . SER A 1 185 ? 41.081 -27.838 14.750 1.00 72.45 ? 161 SER H HA 1 ATOM 2774 H HB2 . SER A 1 185 ? 42.347 -26.096 15.552 1.00 81.08 ? 161 SER H HB2 1 ATOM 2775 H HB3 . SER A 1 185 ? 41.357 -25.026 14.921 1.00 81.08 ? 161 SER H HB3 1 ATOM 2776 H HG . SER A 1 185 ? 40.954 -25.324 17.049 1.00 84.38 ? 161 SER H HG 1 ATOM 2777 N N . GLY A 1 186 ? 38.658 -27.773 14.758 1.00 51.78 ? 162 GLY H N 1 ATOM 2778 C CA . GLY A 1 186 ? 37.209 -27.708 14.800 1.00 50.49 ? 162 GLY H CA 1 ATOM 2779 C C . GLY A 1 186 ? 36.539 -27.969 13.465 1.00 48.72 ? 162 GLY H C 1 ATOM 2780 O O . GLY A 1 186 ? 35.346 -27.711 13.311 1.00 47.96 ? 162 GLY H O 1 ATOM 2781 H H . GLY A 1 186 ? 38.985 -28.485 15.112 1.00 62.13 ? 162 GLY H H 1 ATOM 2782 H HA2 . GLY A 1 186 ? 36.881 -28.363 15.435 1.00 60.58 ? 162 GLY H HA2 1 ATOM 2783 H HA3 . GLY A 1 186 ? 36.940 -26.828 15.106 1.00 60.58 ? 162 GLY H HA3 1 ATOM 2784 N N . VAL A 1 187 ? 37.296 -28.485 12.502 1.00 46.70 ? 163 VAL H N 1 ATOM 2785 C CA . VAL A 1 187 ? 36.750 -28.774 11.180 1.00 40.92 ? 163 VAL H CA 1 ATOM 2786 C C . VAL A 1 187 ? 36.228 -30.204 11.100 1.00 40.24 ? 163 VAL H C 1 ATOM 2787 O O . VAL A 1 187 ? 36.857 -31.137 11.601 1.00 43.30 ? 163 VAL H O 1 ATOM 2788 C CB . VAL A 1 187 ? 37.805 -28.569 10.074 1.00 37.00 ? 163 VAL H CB 1 ATOM 2789 C CG1 . VAL A 1 187 ? 37.308 -29.130 8.745 1.00 34.11 ? 163 VAL H CG1 1 ATOM 2790 C CG2 . VAL A 1 187 ? 38.152 -27.093 9.937 1.00 36.72 ? 163 VAL H CG2 1 ATOM 2791 H H . VAL A 1 187 ? 38.130 -28.678 12.588 1.00 56.04 ? 163 VAL H H 1 ATOM 2792 H HA . VAL A 1 187 ? 36.002 -28.167 11.004 1.00 49.11 ? 163 VAL H HA 1 ATOM 2793 H HB . VAL A 1 187 ? 38.622 -29.050 10.320 1.00 44.40 ? 163 VAL H HB 1 ATOM 2794 H HG11 . VAL A 1 187 ? 37.982 -28.989 8.075 1.00 40.94 ? 163 VAL H HG11 1 ATOM 2795 H HG12 . VAL A 1 187 ? 37.139 -30.069 8.846 1.00 40.94 ? 163 VAL H HG12 1 ATOM 2796 H HG13 . VAL A 1 187 ? 36.500 -28.675 8.497 1.00 40.94 ? 163 VAL H HG13 1 ATOM 2797 H HG21 . VAL A 1 187 ? 38.809 -26.990 9.244 1.00 44.06 ? 163 VAL H HG21 1 ATOM 2798 H HG22 . VAL A 1 187 ? 37.357 -26.605 9.710 1.00 44.06 ? 163 VAL H HG22 1 ATOM 2799 H HG23 . VAL A 1 187 ? 38.504 -26.776 10.771 1.00 44.06 ? 163 VAL H HG23 1 ATOM 2800 N N . HIS A 1 188 ? 35.074 -30.367 10.463 1.00 36.83 ? 164 HIS H N 1 ATOM 2801 C CA . HIS A 1 188 ? 34.505 -31.689 10.238 1.00 35.98 ? 164 HIS H CA 1 ATOM 2802 C C . HIS A 1 188 ? 33.740 -31.740 8.921 1.00 36.00 ? 164 HIS H C 1 ATOM 2803 O O . HIS A 1 188 ? 32.831 -30.943 8.687 1.00 35.81 ? 164 HIS H O 1 ATOM 2804 C CB . HIS A 1 188 ? 33.571 -32.073 11.383 1.00 34.95 ? 164 HIS H CB 1 ATOM 2805 C CG . HIS A 1 188 ? 33.086 -33.486 11.310 1.00 38.43 ? 164 HIS H CG 1 ATOM 2806 N ND1 . HIS A 1 188 ? 33.673 -34.511 12.020 1.00 38.08 ? 164 HIS H ND1 1 ATOM 2807 C CD2 . HIS A 1 188 ? 32.079 -34.049 10.601 1.00 39.22 ? 164 HIS H CD2 1 ATOM 2808 C CE1 . HIS A 1 188 ? 33.045 -35.642 11.757 1.00 38.00 ? 164 HIS H CE1 1 ATOM 2809 N NE2 . HIS A 1 188 ? 32.073 -35.389 10.899 1.00 38.94 ? 164 HIS H NE2 1 ATOM 2810 H H . HIS A 1 188 ? 34.597 -29.724 10.149 1.00 44.19 ? 164 HIS H H 1 ATOM 2811 H HA . HIS A 1 188 ? 35.229 -32.349 10.198 1.00 43.18 ? 164 HIS H HA 1 ATOM 2812 H HB2 . HIS A 1 188 ? 34.043 -31.963 12.223 1.00 41.94 ? 164 HIS H HB2 1 ATOM 2813 H HB3 . HIS A 1 188 ? 32.795 -31.491 11.362 1.00 41.94 ? 164 HIS H HB3 1 ATOM 2814 H HD2 . HIS A 1 188 ? 31.498 -33.609 10.023 1.00 47.06 ? 164 HIS H HD2 1 ATOM 2815 H HE1 . HIS A 1 188 ? 33.251 -36.475 12.116 1.00 45.60 ? 164 HIS H HE1 1 ATOM 2816 H HE2 . HIS A 1 188 ? 31.526 -35.970 10.579 1.00 46.73 ? 164 HIS H HE2 1 ATOM 2817 N N . THR A 1 189 ? 34.114 -32.683 8.064 1.00 35.20 ? 165 THR H N 1 ATOM 2818 C CA . THR A 1 189 ? 33.422 -32.887 6.799 1.00 35.04 ? 165 THR H CA 1 ATOM 2819 C C . THR A 1 189 ? 32.636 -34.192 6.858 1.00 36.56 ? 165 THR H C 1 ATOM 2820 O O . THR A 1 189 ? 33.203 -35.258 7.095 1.00 42.11 ? 165 THR H O 1 ATOM 2821 C CB . THR A 1 189 ? 34.408 -32.926 5.615 1.00 37.07 ? 165 THR H CB 1 ATOM 2822 O OG1 . THR A 1 189 ? 35.172 -31.714 5.583 1.00 41.56 ? 165 THR H OG1 1 ATOM 2823 C CG2 . THR A 1 189 ? 33.660 -33.085 4.297 1.00 33.87 ? 165 THR H CG2 1 ATOM 2824 H H . THR A 1 189 ? 34.772 -33.222 8.193 1.00 42.24 ? 165 THR H H 1 ATOM 2825 H HA . THR A 1 189 ? 32.790 -32.152 6.651 1.00 42.05 ? 165 THR H HA 1 ATOM 2826 H HB . THR A 1 189 ? 35.007 -33.682 5.720 1.00 44.49 ? 165 THR H HB 1 ATOM 2827 H HG1 . THR A 1 189 ? 35.698 -31.731 4.954 1.00 49.87 ? 165 THR H HG1 1 ATOM 2828 H HG21 . THR A 1 189 ? 34.284 -33.109 3.567 1.00 40.64 ? 165 THR H HG21 1 ATOM 2829 H HG22 . THR A 1 189 ? 33.155 -33.902 4.302 1.00 40.64 ? 165 THR H HG22 1 ATOM 2830 H HG23 . THR A 1 189 ? 33.059 -32.348 4.170 1.00 40.64 ? 165 THR H HG23 1 ATOM 2831 N N . PHE A 1 190 ? 31.328 -34.100 6.652 1.00 33.53 ? 166 PHE H N 1 ATOM 2832 C CA . PHE A 1 190 ? 30.456 -35.261 6.758 1.00 37.63 ? 166 PHE H CA 1 ATOM 2833 C C . PHE A 1 190 ? 30.516 -36.126 5.510 1.00 42.78 ? 166 PHE H C 1 ATOM 2834 O O . PHE A 1 190 ? 30.803 -35.634 4.419 1.00 43.99 ? 166 PHE H O 1 ATOM 2835 C CB . PHE A 1 190 ? 29.012 -34.819 6.995 1.00 37.23 ? 166 PHE H CB 1 ATOM 2836 C CG . PHE A 1 190 ? 28.801 -34.129 8.306 1.00 37.94 ? 166 PHE H CG 1 ATOM 2837 C CD1 . PHE A 1 190 ? 28.819 -32.748 8.389 1.00 39.89 ? 166 PHE H CD1 1 ATOM 2838 C CD2 . PHE A 1 190 ? 28.590 -34.864 9.459 1.00 39.12 ? 166 PHE H CD2 1 ATOM 2839 C CE1 . PHE A 1 190 ? 28.627 -32.113 9.599 1.00 43.15 ? 166 PHE H CE1 1 ATOM 2840 C CE2 . PHE A 1 190 ? 28.398 -34.236 10.671 1.00 41.68 ? 166 PHE H CE2 1 ATOM 2841 C CZ . PHE A 1 190 ? 28.416 -32.860 10.742 1.00 44.47 ? 166 PHE H CZ 1 ATOM 2842 H H . PHE A 1 190 ? 30.918 -33.372 6.447 1.00 40.24 ? 166 PHE H H 1 ATOM 2843 H HA . PHE A 1 190 ? 30.738 -35.806 7.522 1.00 45.15 ? 166 PHE H HA 1 ATOM 2844 H HB2 . PHE A 1 190 ? 28.753 -34.204 6.291 1.00 44.68 ? 166 PHE H HB2 1 ATOM 2845 H HB3 . PHE A 1 190 ? 28.438 -35.601 6.975 1.00 44.68 ? 166 PHE H HB3 1 ATOM 2846 H HD1 . PHE A 1 190 ? 28.961 -32.243 7.621 1.00 47.86 ? 166 PHE H HD1 1 ATOM 2847 H HD2 . PHE A 1 190 ? 28.576 -35.793 9.416 1.00 46.95 ? 166 PHE H HD2 1 ATOM 2848 H HE1 . PHE A 1 190 ? 28.640 -31.184 9.645 1.00 51.77 ? 166 PHE H HE1 1 ATOM 2849 H HE2 . PHE A 1 190 ? 28.256 -34.740 11.439 1.00 50.02 ? 166 PHE H HE2 1 ATOM 2850 H HZ . PHE A 1 190 ? 28.286 -32.434 11.559 1.00 53.37 ? 166 PHE H HZ 1 ATOM 2851 N N . PRO A 1 191 ? 30.243 -37.428 5.672 1.00 46.64 ? 167 PRO H N 1 ATOM 2852 C CA . PRO A 1 191 ? 30.115 -38.327 4.522 1.00 46.09 ? 167 PRO H CA 1 ATOM 2853 C C . PRO A 1 191 ? 29.043 -37.831 3.559 1.00 50.50 ? 167 PRO H C 1 ATOM 2854 O O . PRO A 1 191 ? 28.209 -37.011 3.941 1.00 52.26 ? 167 PRO H O 1 ATOM 2855 C CB . PRO A 1 191 ? 29.707 -39.664 5.157 1.00 42.38 ? 167 PRO H CB 1 ATOM 2856 C CG . PRO A 1 191 ? 29.256 -39.329 6.552 1.00 42.98 ? 167 PRO H CG 1 ATOM 2857 C CD . PRO A 1 191 ? 30.045 -38.131 6.950 1.00 44.91 ? 167 PRO H CD 1 ATOM 2858 H HA . PRO A 1 191 ? 30.971 -38.424 4.054 1.00 55.31 ? 167 PRO H HA 1 ATOM 2859 H HB2 . PRO A 1 191 ? 28.981 -40.057 4.649 1.00 50.85 ? 167 PRO H HB2 1 ATOM 2860 H HB3 . PRO A 1 191 ? 30.472 -40.260 5.180 1.00 50.85 ? 167 PRO H HB3 1 ATOM 2861 H HG2 . PRO A 1 191 ? 28.307 -39.127 6.548 1.00 51.57 ? 167 PRO H HG2 1 ATOM 2862 H HG3 . PRO A 1 191 ? 29.444 -40.074 7.144 1.00 51.57 ? 167 PRO H HG3 1 ATOM 2863 H HD2 . PRO A 1 191 ? 29.538 -37.579 7.566 1.00 53.89 ? 167 PRO H HD2 1 ATOM 2864 H HD3 . PRO A 1 191 ? 30.898 -38.397 7.326 1.00 53.89 ? 167 PRO H HD3 1 ATOM 2865 N N . ALA A 1 192 ? 29.073 -38.320 2.325 1.00 51.15 ? 168 ALA H N 1 ATOM 2866 C CA . ALA A 1 192 ? 28.123 -37.882 1.311 1.00 48.02 ? 168 ALA H CA 1 ATOM 2867 C C . ALA A 1 192 ? 26.767 -38.558 1.481 1.00 50.99 ? 168 ALA H C 1 ATOM 2868 O O . ALA A 1 192 ? 26.682 -39.725 1.867 1.00 47.61 ? 168 ALA H O 1 ATOM 2869 C CB . ALA A 1 192 ? 28.673 -38.157 -0.075 1.00 44.98 ? 168 ALA H CB 1 ATOM 2870 H H . ALA A 1 192 ? 29.635 -38.909 2.048 1.00 61.39 ? 168 ALA H H 1 ATOM 2871 H HA . ALA A 1 192 ? 27.990 -36.915 1.397 1.00 57.62 ? 168 ALA H HA 1 ATOM 2872 H HB1 . ALA A 1 192 ? 28.034 -37.862 -0.728 1.00 53.98 ? 168 ALA H HB1 1 ATOM 2873 H HB2 . ALA A 1 192 ? 29.498 -37.678 -0.183 1.00 53.98 ? 168 ALA H HB2 1 ATOM 2874 H HB3 . ALA A 1 192 ? 28.826 -39.100 -0.168 1.00 53.98 ? 168 ALA H HB3 1 ATOM 2875 N N . VAL A 1 193 ? 25.710 -37.809 1.188 1.00 53.84 ? 169 VAL H N 1 ATOM 2876 C CA . VAL A 1 193 ? 24.351 -38.331 1.233 1.00 55.19 ? 169 VAL H CA 1 ATOM 2877 C C . VAL A 1 193 ? 23.799 -38.387 -0.186 1.00 57.29 ? 169 VAL H C 1 ATOM 2878 O O . VAL A 1 193 ? 24.011 -37.469 -0.979 1.00 58.31 ? 169 VAL H O 1 ATOM 2879 C CB . VAL A 1 193 ? 23.439 -37.456 2.120 1.00 53.86 ? 169 VAL H CB 1 ATOM 2880 C CG1 . VAL A 1 193 ? 23.181 -36.099 1.471 1.00 50.35 ? 169 VAL H CG1 1 ATOM 2881 C CG2 . VAL A 1 193 ? 22.132 -38.163 2.398 1.00 60.48 ? 169 VAL H CG2 1 ATOM 2882 H H . VAL A 1 193 ? 25.755 -36.982 0.956 1.00 64.61 ? 169 VAL H H 1 ATOM 2883 H HA . VAL A 1 193 ? 24.362 -39.240 1.599 1.00 66.23 ? 169 VAL H HA 1 ATOM 2884 H HB . VAL A 1 193 ? 23.886 -37.300 2.979 1.00 64.63 ? 169 VAL H HB 1 ATOM 2885 H HG11 . VAL A 1 193 ? 22.613 -35.581 2.046 1.00 60.42 ? 169 VAL H HG11 1 ATOM 2886 H HG12 . VAL A 1 193 ? 24.020 -35.648 1.347 1.00 60.42 ? 169 VAL H HG12 1 ATOM 2887 H HG13 . VAL A 1 193 ? 22.753 -36.235 0.623 1.00 60.42 ? 169 VAL H HG13 1 ATOM 2888 H HG21 . VAL A 1 193 ? 21.584 -37.600 2.949 1.00 72.58 ? 169 VAL H HG21 1 ATOM 2889 H HG22 . VAL A 1 193 ? 21.689 -38.337 1.564 1.00 72.58 ? 169 VAL H HG22 1 ATOM 2890 H HG23 . VAL A 1 193 ? 22.314 -38.989 2.851 1.00 72.58 ? 169 VAL H HG23 1 ATOM 2891 N N . LEU A 1 194 ? 23.098 -39.469 -0.507 1.00 60.22 ? 170 LEU H N 1 ATOM 2892 C CA . LEU A 1 194 ? 22.628 -39.688 -1.870 1.00 60.94 ? 170 LEU H CA 1 ATOM 2893 C C . LEU A 1 194 ? 21.149 -39.362 -2.026 1.00 69.83 ? 170 LEU H C 1 ATOM 2894 O O . LEU A 1 194 ? 20.300 -39.924 -1.334 1.00 78.19 ? 170 LEU H O 1 ATOM 2895 C CB . LEU A 1 194 ? 22.892 -41.133 -2.297 1.00 56.74 ? 170 LEU H CB 1 ATOM 2896 C CG . LEU A 1 194 ? 22.455 -41.486 -3.720 1.00 57.91 ? 170 LEU H CG 1 ATOM 2897 C CD1 . LEU A 1 194 ? 22.976 -40.463 -4.714 1.00 51.43 ? 170 LEU H CD1 1 ATOM 2898 C CD2 . LEU A 1 194 ? 22.938 -42.876 -4.093 1.00 63.92 ? 170 LEU H CD2 1 ATOM 2899 H H . LEU A 1 194 ? 22.881 -40.091 0.045 1.00 72.26 ? 170 LEU H H 1 ATOM 2900 H HA . LEU A 1 194 ? 23.129 -39.101 -2.474 1.00 73.12 ? 170 LEU H HA 1 ATOM 2901 H HB2 . LEU A 1 194 ? 23.845 -41.303 -2.234 1.00 68.08 ? 170 LEU H HB2 1 ATOM 2902 H HB3 . LEU A 1 194 ? 22.417 -41.723 -1.691 1.00 68.08 ? 170 LEU H HB3 1 ATOM 2903 H HG . LEU A 1 194 ? 21.486 -41.483 -3.764 1.00 69.49 ? 170 LEU H HG 1 ATOM 2904 H HD11 . LEU A 1 194 ? 22.687 -40.710 -5.596 1.00 61.72 ? 170 LEU H HD11 1 ATOM 2905 H HD12 . LEU A 1 194 ? 22.626 -39.599 -4.484 1.00 61.72 ? 170 LEU H HD12 1 ATOM 2906 H HD13 . LEU A 1 194 ? 23.935 -40.449 -4.675 1.00 61.72 ? 170 LEU H HD13 1 ATOM 2907 H HD21 . LEU A 1 194 ? 22.653 -43.075 -4.988 1.00 76.71 ? 170 LEU H HD21 1 ATOM 2908 H HD22 . LEU A 1 194 ? 23.897 -42.897 -4.042 1.00 76.71 ? 170 LEU H HD22 1 ATOM 2909 H HD23 . LEU A 1 194 ? 22.563 -43.512 -3.480 1.00 76.71 ? 170 LEU H HD23 1 ATOM 2910 N N . GLN A 1 195 ? 20.854 -38.446 -2.942 1.00 68.81 ? 171 GLN H N 1 ATOM 2911 C CA . GLN A 1 195 ? 19.481 -38.079 -3.260 1.00 75.23 ? 171 GLN H CA 1 ATOM 2912 C C . GLN A 1 195 ? 18.904 -39.048 -4.288 1.00 79.72 ? 171 GLN H C 1 ATOM 2913 O O . GLN A 1 195 ? 19.631 -39.859 -4.863 1.00 79.43 ? 171 GLN H O 1 ATOM 2914 C CB . GLN A 1 195 ? 19.439 -36.652 -3.806 1.00 80.53 ? 171 GLN H CB 1 ATOM 2915 C CG . GLN A 1 195 ? 20.071 -35.618 -2.882 1.00 86.67 ? 171 GLN H CG 1 ATOM 2916 C CD . GLN A 1 195 ? 20.680 -34.453 -3.637 1.00 96.45 ? 171 GLN H CD 1 ATOM 2917 O OE1 . GLN A 1 195 ? 20.156 -33.340 -3.614 1.00 103.61 ? 171 GLN H OE1 1 ATOM 2918 N NE2 . GLN A 1 195 ? 21.800 -34.704 -4.304 1.00 97.58 ? 171 GLN H NE2 1 ATOM 2919 H H . GLN A 1 195 ? 21.441 -38.017 -3.401 1.00 82.58 ? 171 GLN H H 1 ATOM 2920 H HA . GLN A 1 195 ? 18.933 -38.121 -2.448 1.00 90.28 ? 171 GLN H HA 1 ATOM 2921 H HB2 . GLN A 1 195 ? 19.917 -36.626 -4.649 1.00 96.64 ? 171 GLN H HB2 1 ATOM 2922 H HB3 . GLN A 1 195 ? 18.513 -36.398 -3.945 1.00 96.64 ? 171 GLN H HB3 1 ATOM 2923 H HG2 . GLN A 1 195 ? 19.389 -35.267 -2.287 1.00 104.01 ? 171 GLN H HG2 1 ATOM 2924 H HG3 . GLN A 1 195 ? 20.774 -36.043 -2.367 1.00 104.01 ? 171 GLN H HG3 1 ATOM 2925 H HE21 . GLN A 1 195 ? 22.141 -35.493 -4.291 1.00 117.09 ? 171 GLN H HE21 1 ATOM 2926 H HE22 . GLN A 1 195 ? 22.186 -34.076 -4.748 1.00 117.09 ? 171 GLN H HE22 1 ATOM 2927 N N . SER A 1 196 ? 17.598 -38.960 -4.520 1.00 85.07 ? 172 SER H N 1 ATOM 2928 C CA . SER A 1 196 ? 16.933 -39.833 -5.482 1.00 90.01 ? 172 SER H CA 1 ATOM 2929 C C . SER A 1 196 ? 17.307 -39.457 -6.914 1.00 82.05 ? 172 SER H C 1 ATOM 2930 O O . SER A 1 196 ? 17.030 -40.203 -7.855 1.00 76.36 ? 172 SER H O 1 ATOM 2931 C CB . SER A 1 196 ? 15.416 -39.769 -5.302 1.00 102.39 ? 172 SER H CB 1 ATOM 2932 O OG . SER A 1 196 ? 14.926 -38.465 -5.560 1.00 107.88 ? 172 SER H OG 1 ATOM 2933 H H . SER A 1 196 ? 17.073 -38.400 -4.132 1.00 102.09 ? 172 SER H H 1 ATOM 2934 H HA . SER A 1 196 ? 17.219 -40.757 -5.325 1.00 108.01 ? 172 SER H HA 1 ATOM 2935 H HB2 . SER A 1 196 ? 14.999 -40.390 -5.920 1.00 122.87 ? 172 SER H HB2 1 ATOM 2936 H HB3 . SER A 1 196 ? 15.196 -40.013 -4.389 1.00 122.87 ? 172 SER H HB3 1 ATOM 2937 H HG . SER A 1 196 ? 14.112 -38.446 -5.459 1.00 129.46 ? 172 SER H HG 1 ATOM 2938 N N . SER A 1 197 ? 17.931 -38.295 -7.075 1.00 81.20 ? 173 SER H N 1 ATOM 2939 C CA . SER A 1 197 ? 18.407 -37.855 -8.380 1.00 80.83 ? 173 SER H CA 1 ATOM 2940 C C . SER A 1 197 ? 19.616 -38.678 -8.811 1.00 74.21 ? 173 SER H C 1 ATOM 2941 O O . SER A 1 197 ? 19.956 -38.726 -9.994 1.00 76.38 ? 173 SER H O 1 ATOM 2942 C CB . SER A 1 197 ? 18.784 -36.374 -8.334 1.00 81.69 ? 173 SER H CB 1 ATOM 2943 O OG . SER A 1 197 ? 19.761 -36.131 -7.337 1.00 79.97 ? 173 SER H OG 1 ATOM 2944 H H . SER A 1 197 ? 18.092 -37.739 -6.438 1.00 97.44 ? 173 SER H H 1 ATOM 2945 H HA . SER A 1 197 ? 17.697 -37.975 -9.044 1.00 96.99 ? 173 SER H HA 1 ATOM 2946 H HB2 . SER A 1 197 ? 19.141 -36.112 -9.197 1.00 98.03 ? 173 SER H HB2 1 ATOM 2947 H HB3 . SER A 1 197 ? 17.991 -35.853 -8.131 1.00 98.03 ? 173 SER H HB3 1 ATOM 2948 H HG . SER A 1 197 ? 19.955 -35.334 -7.322 1.00 95.96 ? 173 SER H HG 1 ATOM 2949 N N . GLY A 1 198 ? 20.261 -39.322 -7.843 1.00 65.19 ? 174 GLY H N 1 ATOM 2950 C CA . GLY A 1 198 ? 21.467 -40.086 -8.103 1.00 60.55 ? 174 GLY H CA 1 ATOM 2951 C C . GLY A 1 198 ? 22.712 -39.244 -7.903 1.00 58.51 ? 174 GLY H C 1 ATOM 2952 O O . GLY A 1 198 ? 23.828 -39.700 -8.158 1.00 61.94 ? 174 GLY H O 1 ATOM 2953 H H . GLY A 1 198 ? 20.015 -39.330 -7.019 1.00 78.23 ? 174 GLY H H 1 ATOM 2954 H HA2 . GLY A 1 198 ? 21.507 -40.846 -7.503 1.00 72.66 ? 174 GLY H HA2 1 ATOM 2955 H HA3 . GLY A 1 198 ? 21.455 -40.411 -9.017 1.00 72.66 ? 174 GLY H HA3 1 ATOM 2956 N N . LEU A 1 199 ? 22.521 -38.011 -7.441 1.00 54.51 ? 175 LEU H N 1 ATOM 2957 C CA . LEU A 1 199 ? 23.630 -37.095 -7.206 1.00 50.69 ? 175 LEU H CA 1 ATOM 2958 C C . LEU A 1 199 ? 23.969 -37.036 -5.721 1.00 53.97 ? 175 LEU H C 1 ATOM 2959 O O . LEU A 1 199 ? 23.130 -37.331 -4.869 1.00 57.42 ? 175 LEU H O 1 ATOM 2960 C CB . LEU A 1 199 ? 23.279 -35.697 -7.717 1.00 45.19 ? 175 LEU H CB 1 ATOM 2961 C CG . LEU A 1 199 ? 22.951 -35.596 -9.208 1.00 47.75 ? 175 LEU H CG 1 ATOM 2962 C CD1 . LEU A 1 199 ? 22.485 -34.193 -9.559 1.00 49.15 ? 175 LEU H CD1 1 ATOM 2963 C CD2 . LEU A 1 199 ? 24.155 -35.984 -10.052 1.00 46.17 ? 175 LEU H CD2 1 ATOM 2964 H H . LEU A 1 199 ? 21.749 -37.679 -7.255 1.00 65.41 ? 175 LEU H H 1 ATOM 2965 H HA . LEU A 1 199 ? 24.420 -37.411 -7.691 1.00 60.83 ? 175 LEU H HA 1 ATOM 2966 H HB2 . LEU A 1 199 ? 22.505 -35.378 -7.227 1.00 54.22 ? 175 LEU H HB2 1 ATOM 2967 H HB3 . LEU A 1 199 ? 24.033 -35.111 -7.546 1.00 54.22 ? 175 LEU H HB3 1 ATOM 2968 H HG . LEU A 1 199 ? 22.230 -36.212 -9.415 1.00 57.30 ? 175 LEU H HG 1 ATOM 2969 H HD11 . LEU A 1 199 ? 22.286 -34.156 -10.497 1.00 58.98 ? 175 LEU H HD11 1 ATOM 2970 H HD12 . LEU A 1 199 ? 21.698 -33.989 -9.049 1.00 58.98 ? 175 LEU H HD12 1 ATOM 2971 H HD13 . LEU A 1 199 ? 23.185 -33.570 -9.347 1.00 58.98 ? 175 LEU H HD13 1 ATOM 2972 H HD21 . LEU A 1 199 ? 23.922 -35.913 -10.980 1.00 55.41 ? 175 LEU H HD21 1 ATOM 2973 H HD22 . LEU A 1 199 ? 24.882 -35.391 -9.849 1.00 55.41 ? 175 LEU H HD22 1 ATOM 2974 H HD23 . LEU A 1 199 ? 24.403 -36.888 -9.845 1.00 55.41 ? 175 LEU H HD23 1 ATOM 2975 N N . TYR A 1 200 ? 25.203 -36.650 -5.417 1.00 51.82 ? 176 TYR H N 1 ATOM 2976 C CA . TYR A 1 200 ? 25.671 -36.593 -4.038 1.00 47.32 ? 176 TYR H CA 1 ATOM 2977 C C . TYR A 1 200 ? 25.605 -35.183 -3.473 1.00 44.61 ? 176 TYR H C 1 ATOM 2978 O O . TYR A 1 200 ? 25.643 -34.198 -4.211 1.00 45.43 ? 176 TYR H O 1 ATOM 2979 C CB . TYR A 1 200 ? 27.110 -37.100 -3.943 1.00 47.42 ? 176 TYR H CB 1 ATOM 2980 C CG . TYR A 1 200 ? 27.253 -38.587 -4.154 1.00 54.68 ? 176 TYR H CG 1 ATOM 2981 C CD1 . TYR A 1 200 ? 27.569 -39.105 -5.404 1.00 58.88 ? 176 TYR H CD1 1 ATOM 2982 C CD2 . TYR A 1 200 ? 27.072 -39.475 -3.102 1.00 57.28 ? 176 TYR H CD2 1 ATOM 2983 C CE1 . TYR A 1 200 ? 27.701 -40.466 -5.599 1.00 62.57 ? 176 TYR H CE1 1 ATOM 2984 C CE2 . TYR A 1 200 ? 27.201 -40.838 -3.287 1.00 60.15 ? 176 TYR H CE2 1 ATOM 2985 C CZ . TYR A 1 200 ? 27.517 -41.328 -4.537 1.00 62.84 ? 176 TYR H CZ 1 ATOM 2986 O OH . TYR A 1 200 ? 27.646 -42.685 -4.724 1.00 64.34 ? 176 TYR H OH 1 ATOM 2987 H H . TYR A 1 200 ? 25.793 -36.414 -5.996 1.00 62.19 ? 176 TYR H H 1 ATOM 2988 H HA . TYR A 1 200 ? 25.106 -37.171 -3.483 1.00 56.78 ? 176 TYR H HA 1 ATOM 2989 H HB2 . TYR A 1 200 ? 27.643 -36.653 -4.619 1.00 56.91 ? 176 TYR H HB2 1 ATOM 2990 H HB3 . TYR A 1 200 ? 27.457 -36.892 -3.062 1.00 56.91 ? 176 TYR H HB3 1 ATOM 2991 H HD1 . TYR A 1 200 ? 27.694 -38.526 -6.120 1.00 70.66 ? 176 TYR H HD1 1 ATOM 2992 H HD2 . TYR A 1 200 ? 26.860 -39.147 -2.258 1.00 68.73 ? 176 TYR H HD2 1 ATOM 2993 H HE1 . TYR A 1 200 ? 27.913 -40.799 -6.441 1.00 75.09 ? 176 TYR H HE1 1 ATOM 2994 H HE2 . TYR A 1 200 ? 27.078 -41.421 -2.574 1.00 72.18 ? 176 TYR H HE2 1 ATOM 2995 H HH . TYR A 1 200 ? 26.943 -43.062 -4.537 1.00 77.20 ? 176 TYR H HH 1 ATOM 2996 N N . SER A 1 201 ? 25.504 -35.103 -2.152 1.00 45.90 ? 177 SER H N 1 ATOM 2997 C CA . SER A 1 201 ? 25.592 -33.839 -1.437 1.00 46.25 ? 177 SER H CA 1 ATOM 2998 C C . SER A 1 201 ? 26.292 -34.088 -0.109 1.00 46.04 ? 177 SER H C 1 ATOM 2999 O O . SER A 1 201 ? 26.141 -35.155 0.483 1.00 46.53 ? 177 SER H O 1 ATOM 3000 C CB . SER A 1 201 ? 24.199 -33.254 -1.192 1.00 47.52 ? 177 SER H CB 1 ATOM 3001 O OG . SER A 1 201 ? 23.537 -32.967 -2.411 1.00 50.41 ? 177 SER H OG 1 ATOM 3002 H H . SER A 1 201 ? 25.382 -35.782 -1.638 1.00 55.08 ? 177 SER H H 1 ATOM 3003 H HA . SER A 1 201 ? 26.118 -33.197 -1.958 1.00 55.50 ? 177 SER H HA 1 ATOM 3004 H HB2 . SER A 1 201 ? 23.672 -33.897 -0.693 1.00 57.03 ? 177 SER H HB2 1 ATOM 3005 H HB3 . SER A 1 201 ? 24.288 -32.434 -0.682 1.00 57.03 ? 177 SER H HB3 1 ATOM 3006 H HG . SER A 1 201 ? 22.794 -32.655 -2.260 1.00 60.49 ? 177 SER H HG 1 ATOM 3007 N N . LEU A 1 202 ? 27.072 -33.117 0.351 1.00 49.19 ? 178 LEU H N 1 ATOM 3008 C CA . LEU A 1 202 ? 27.687 -33.210 1.669 1.00 52.20 ? 178 LEU H CA 1 ATOM 3009 C C . LEU A 1 202 ? 27.847 -31.831 2.284 1.00 48.55 ? 178 LEU H C 1 ATOM 3010 O O . LEU A 1 202 ? 27.669 -30.814 1.612 1.00 48.81 ? 178 LEU H O 1 ATOM 3011 C CB . LEU A 1 202 ? 29.041 -33.928 1.600 1.00 53.26 ? 178 LEU H CB 1 ATOM 3012 C CG . LEU A 1 202 ? 30.206 -33.282 0.840 1.00 48.19 ? 178 LEU H CG 1 ATOM 3013 C CD1 . LEU A 1 202 ? 30.737 -32.023 1.523 1.00 41.73 ? 178 LEU H CD1 1 ATOM 3014 C CD2 . LEU A 1 202 ? 31.326 -34.297 0.682 1.00 47.59 ? 178 LEU H CD2 1 ATOM 3015 H H . LEU A 1 202 ? 27.261 -32.396 -0.079 1.00 59.03 ? 178 LEU H H 1 ATOM 3016 H HA . LEU A 1 202 ? 27.100 -33.733 2.254 1.00 62.64 ? 178 LEU H HA 1 ATOM 3017 H HB2 . LEU A 1 202 ? 29.347 -34.062 2.511 1.00 63.92 ? 178 LEU H HB2 1 ATOM 3018 H HB3 . LEU A 1 202 ? 28.892 -34.794 1.191 1.00 63.92 ? 178 LEU H HB3 1 ATOM 3019 H HG . LEU A 1 202 ? 29.902 -33.034 -0.047 1.00 57.83 ? 178 LEU H HG 1 ATOM 3020 H HD11 . LEU A 1 202 ? 31.461 -31.667 1.002 1.00 50.07 ? 178 LEU H HD11 1 ATOM 3021 H HD12 . LEU A 1 202 ? 30.028 -31.378 1.583 1.00 50.07 ? 178 LEU H HD12 1 ATOM 3022 H HD13 . LEU A 1 202 ? 31.047 -32.252 2.402 1.00 50.07 ? 178 LEU H HD13 1 ATOM 3023 H HD21 . LEU A 1 202 ? 32.053 -33.889 0.206 1.00 57.11 ? 178 LEU H HD21 1 ATOM 3024 H HD22 . LEU A 1 202 ? 31.619 -34.576 1.553 1.00 57.11 ? 178 LEU H HD22 1 ATOM 3025 H HD23 . LEU A 1 202 ? 30.995 -35.053 0.190 1.00 57.11 ? 178 LEU H HD23 1 ATOM 3026 N N . SER A 1 203 ? 28.180 -31.806 3.569 1.00 44.00 ? 179 SER H N 1 ATOM 3027 C CA . SER A 1 203 ? 28.433 -30.559 4.270 1.00 46.17 ? 179 SER H CA 1 ATOM 3028 C C . SER A 1 203 ? 29.788 -30.607 4.955 1.00 43.18 ? 179 SER H C 1 ATOM 3029 O O . SER A 1 203 ? 30.252 -31.668 5.372 1.00 44.45 ? 179 SER H O 1 ATOM 3030 C CB . SER A 1 203 ? 27.350 -30.297 5.317 1.00 54.99 ? 179 SER H CB 1 ATOM 3031 O OG . SER A 1 203 ? 26.096 -30.046 4.713 1.00 63.02 ? 179 SER H OG 1 ATOM 3032 H H . SER A 1 203 ? 28.266 -32.507 4.061 1.00 52.80 ? 179 SER H H 1 ATOM 3033 H HA . SER A 1 203 ? 28.433 -29.817 3.630 1.00 55.41 ? 179 SER H HA 1 ATOM 3034 H HB2 . SER A 1 203 ? 27.272 -31.077 5.889 1.00 65.99 ? 179 SER H HB2 1 ATOM 3035 H HB3 . SER A 1 203 ? 27.605 -29.524 5.845 1.00 65.99 ? 179 SER H HB3 1 ATOM 3036 H HG . SER A 1 203 ? 25.530 -29.909 5.290 1.00 75.63 ? 179 SER H HG 1 ATOM 3037 N N . SER A 1 204 ? 30.419 -29.446 5.060 1.00 39.65 ? 180 SER H N 1 ATOM 3038 C CA . SER A 1 204 ? 31.640 -29.304 5.834 1.00 40.14 ? 180 SER H CA 1 ATOM 3039 C C . SER A 1 204 ? 31.442 -28.143 6.793 1.00 41.88 ? 180 SER H C 1 ATOM 3040 O O . SER A 1 204 ? 31.126 -27.033 6.372 1.00 43.81 ? 180 SER H O 1 ATOM 3041 C CB . SER A 1 204 ? 32.836 -29.047 4.919 1.00 39.06 ? 180 SER H CB 1 ATOM 3042 O OG . SER A 1 204 ? 34.045 -29.035 5.658 1.00 38.77 ? 180 SER H OG 1 ATOM 3043 H H . SER A 1 204 ? 30.156 -28.717 4.687 1.00 47.58 ? 180 SER H H 1 ATOM 3044 H HA . SER A 1 204 ? 31.805 -30.120 6.351 1.00 48.17 ? 180 SER H HA 1 ATOM 3045 H HB2 . SER A 1 204 ? 32.881 -29.750 4.252 1.00 46.87 ? 180 SER H HB2 1 ATOM 3046 H HB3 . SER A 1 204 ? 32.723 -28.186 4.486 1.00 46.87 ? 180 SER H HB3 1 ATOM 3047 H HG . SER A 1 204 ? 34.679 -28.896 5.157 1.00 46.52 ? 180 SER H HG 1 ATOM 3048 N N . VAL A 1 205 ? 31.610 -28.408 8.084 1.00 40.16 ? 181 VAL H N 1 ATOM 3049 C CA . VAL A 1 205 ? 31.370 -27.398 9.106 1.00 39.79 ? 181 VAL H CA 1 ATOM 3050 C C . VAL A 1 205 ? 32.617 -27.163 9.941 1.00 40.91 ? 181 VAL H C 1 ATOM 3051 O O . VAL A 1 205 ? 33.514 -28.004 9.995 1.00 39.34 ? 181 VAL H O 1 ATOM 3052 C CB . VAL A 1 205 ? 30.224 -27.814 10.050 1.00 36.73 ? 181 VAL H CB 1 ATOM 3053 C CG1 . VAL A 1 205 ? 28.937 -27.999 9.268 1.00 36.88 ? 181 VAL H CG1 1 ATOM 3054 C CG2 . VAL A 1 205 ? 30.585 -29.090 10.804 1.00 32.32 ? 181 VAL H CG2 1 ATOM 3055 H H . VAL A 1 205 ? 31.864 -29.168 8.395 1.00 48.19 ? 181 VAL H H 1 ATOM 3056 H HA . VAL A 1 205 ? 31.124 -26.553 8.675 1.00 47.75 ? 181 VAL H HA 1 ATOM 3057 H HB . VAL A 1 205 ? 30.079 -27.103 10.709 1.00 44.07 ? 181 VAL H HB 1 ATOM 3058 H HG11 . VAL A 1 205 ? 28.238 -28.257 9.874 1.00 44.26 ? 181 VAL H HG11 1 ATOM 3059 H HG12 . VAL A 1 205 ? 28.710 -27.170 8.840 1.00 44.26 ? 181 VAL H HG12 1 ATOM 3060 H HG13 . VAL A 1 205 ? 29.069 -28.684 8.608 1.00 44.26 ? 181 VAL H HG13 1 ATOM 3061 H HG21 . VAL A 1 205 ? 29.857 -29.327 11.384 1.00 38.79 ? 181 VAL H HG21 1 ATOM 3062 H HG22 . VAL A 1 205 ? 30.742 -29.794 10.170 1.00 38.79 ? 181 VAL H HG22 1 ATOM 3063 H HG23 . VAL A 1 205 ? 31.378 -28.932 11.322 1.00 38.79 ? 181 VAL H HG23 1 ATOM 3064 N N . VAL A 1 206 ? 32.668 -26.008 10.592 1.00 43.16 ? 182 VAL H N 1 ATOM 3065 C CA . VAL A 1 206 ? 33.744 -25.714 11.523 1.00 43.37 ? 182 VAL H CA 1 ATOM 3066 C C . VAL A 1 206 ? 33.218 -24.891 12.689 1.00 42.03 ? 182 VAL H C 1 ATOM 3067 O O . VAL A 1 206 ? 32.422 -23.971 12.504 1.00 43.43 ? 182 VAL H O 1 ATOM 3068 C CB . VAL A 1 206 ? 34.908 -24.971 10.838 1.00 42.31 ? 182 VAL H CB 1 ATOM 3069 C CG1 . VAL A 1 206 ? 34.391 -23.812 10.003 1.00 42.63 ? 182 VAL H CG1 1 ATOM 3070 C CG2 . VAL A 1 206 ? 35.916 -24.498 11.877 1.00 43.97 ? 182 VAL H CG2 1 ATOM 3071 H H . VAL A 1 206 ? 32.089 -25.378 10.512 1.00 51.79 ? 182 VAL H H 1 ATOM 3072 H HA . VAL A 1 206 ? 34.093 -26.556 11.881 1.00 52.04 ? 182 VAL H HA 1 ATOM 3073 H HB . VAL A 1 206 ? 35.368 -25.592 10.236 1.00 50.77 ? 182 VAL H HB 1 ATOM 3074 H HG11 . VAL A 1 206 ? 35.135 -23.368 9.590 1.00 51.15 ? 182 VAL H HG11 1 ATOM 3075 H HG12 . VAL A 1 206 ? 33.797 -24.152 9.330 1.00 51.15 ? 182 VAL H HG12 1 ATOM 3076 H HG13 . VAL A 1 206 ? 33.922 -23.200 10.575 1.00 51.15 ? 182 VAL H HG13 1 ATOM 3077 H HG21 . VAL A 1 206 ? 36.632 -24.039 11.431 1.00 52.76 ? 182 VAL H HG21 1 ATOM 3078 H HG22 . VAL A 1 206 ? 35.477 -23.903 12.490 1.00 52.76 ? 182 VAL H HG22 1 ATOM 3079 H HG23 . VAL A 1 206 ? 36.260 -25.260 12.349 1.00 52.76 ? 182 VAL H HG23 1 ATOM 3080 N N . THR A 1 207 ? 33.659 -25.244 13.891 1.00 39.69 ? 183 THR H N 1 ATOM 3081 C CA . THR A 1 207 ? 33.279 -24.519 15.094 1.00 42.39 ? 183 THR H CA 1 ATOM 3082 C C . THR A 1 207 ? 34.320 -23.447 15.385 1.00 45.42 ? 183 THR H C 1 ATOM 3083 O O . THR A 1 207 ? 35.514 -23.737 15.460 1.00 48.89 ? 183 THR H O 1 ATOM 3084 C CB . THR A 1 207 ? 33.170 -25.469 16.298 1.00 46.60 ? 183 THR H CB 1 ATOM 3085 O OG1 . THR A 1 207 ? 32.195 -26.482 16.019 1.00 47.53 ? 183 THR H OG1 1 ATOM 3086 C CG2 . THR A 1 207 ? 32.768 -24.709 17.555 1.00 49.60 ? 183 THR H CG2 1 ATOM 3087 H H . THR A 1 207 ? 34.185 -25.909 14.037 1.00 47.63 ? 183 THR H H 1 ATOM 3088 H HA . THR A 1 207 ? 32.412 -24.085 14.957 1.00 50.87 ? 183 THR H HA 1 ATOM 3089 H HB . THR A 1 207 ? 34.031 -25.887 16.456 1.00 55.92 ? 183 THR H HB 1 ATOM 3090 H HG1 . THR A 1 207 ? 32.131 -26.993 16.657 1.00 57.03 ? 183 THR H HG1 1 ATOM 3091 H HG21 . THR A 1 207 ? 32.704 -25.314 18.298 1.00 59.51 ? 183 THR H HG21 1 ATOM 3092 H HG22 . THR A 1 207 ? 33.423 -24.037 17.756 1.00 59.51 ? 183 THR H HG22 1 ATOM 3093 H HG23 . THR A 1 207 ? 31.917 -24.285 17.424 1.00 59.51 ? 183 THR H HG23 1 ATOM 3094 N N . VAL A 1 208 ? 33.865 -22.208 15.542 1.00 45.25 ? 184 VAL H N 1 ATOM 3095 C CA . VAL A 1 208 ? 34.770 -21.089 15.772 1.00 48.09 ? 184 VAL H CA 1 ATOM 3096 C C . VAL A 1 208 ? 34.237 -20.150 16.845 1.00 51.67 ? 184 VAL H C 1 ATOM 3097 O O . VAL A 1 208 ? 33.036 -20.118 17.106 1.00 55.73 ? 184 VAL H O 1 ATOM 3098 C CB . VAL A 1 208 ? 34.988 -20.277 14.485 1.00 51.11 ? 184 VAL H CB 1 ATOM 3099 C CG1 . VAL A 1 208 ? 35.779 -21.088 13.477 1.00 51.20 ? 184 VAL H CG1 1 ATOM 3100 C CG2 . VAL A 1 208 ? 33.652 -19.840 13.900 1.00 52.85 ? 184 VAL H CG2 1 ATOM 3101 H H . VAL A 1 208 ? 33.033 -21.989 15.520 1.00 54.30 ? 184 VAL H H 1 ATOM 3102 H HA . VAL A 1 208 ? 35.638 -21.432 16.068 1.00 57.71 ? 184 VAL H HA 1 ATOM 3103 H HB . VAL A 1 208 ? 35.504 -19.471 14.698 1.00 61.33 ? 184 VAL H HB 1 ATOM 3104 H HG11 . VAL A 1 208 ? 35.903 -20.563 12.683 1.00 61.44 ? 184 VAL H HG11 1 ATOM 3105 H HG12 . VAL A 1 208 ? 36.630 -21.313 13.858 1.00 61.44 ? 184 VAL H HG12 1 ATOM 3106 H HG13 . VAL A 1 208 ? 35.290 -21.887 13.269 1.00 61.44 ? 184 VAL H HG13 1 ATOM 3107 H HG21 . VAL A 1 208 ? 33.811 -19.336 13.099 1.00 63.42 ? 184 VAL H HG21 1 ATOM 3108 H HG22 . VAL A 1 208 ? 33.130 -20.620 13.698 1.00 63.42 ? 184 VAL H HG22 1 ATOM 3109 H HG23 . VAL A 1 208 ? 33.192 -19.296 14.544 1.00 63.42 ? 184 VAL H HG23 1 ATOM 3110 N N . PRO A 1 209 ? 35.138 -19.381 17.474 1.00 52.23 ? 185 PRO H N 1 ATOM 3111 C CA . PRO A 1 209 ? 34.743 -18.390 18.480 1.00 53.66 ? 185 PRO H CA 1 ATOM 3112 C C . PRO A 1 209 ? 33.879 -17.287 17.880 1.00 57.22 ? 185 PRO H C 1 ATOM 3113 O O . PRO A 1 209 ? 34.231 -16.726 16.842 1.00 58.43 ? 185 PRO H O 1 ATOM 3114 C CB . PRO A 1 209 ? 36.083 -17.810 18.952 1.00 55.67 ? 185 PRO H CB 1 ATOM 3115 C CG . PRO A 1 209 ? 37.107 -18.821 18.567 1.00 55.24 ? 185 PRO H CG 1 ATOM 3116 C CD . PRO A 1 209 ? 36.600 -19.450 17.312 1.00 53.01 ? 185 PRO H CD 1 ATOM 3117 H HA . PRO A 1 209 ? 34.278 -18.814 19.230 1.00 64.39 ? 185 PRO H HA 1 ATOM 3118 H HB2 . PRO A 1 209 ? 36.250 -16.966 18.503 1.00 66.80 ? 185 PRO H HB2 1 ATOM 3119 H HB3 . PRO A 1 209 ? 36.066 -17.689 19.914 1.00 66.80 ? 185 PRO H HB3 1 ATOM 3120 H HG2 . PRO A 1 209 ? 37.957 -18.381 18.408 1.00 66.28 ? 185 PRO H HG2 1 ATOM 3121 H HG3 . PRO A 1 209 ? 37.192 -19.484 19.270 1.00 66.28 ? 185 PRO H HG3 1 ATOM 3122 H HD2 . PRO A 1 209 ? 36.881 -18.937 16.539 1.00 63.61 ? 185 PRO H HD2 1 ATOM 3123 H HD3 . PRO A 1 209 ? 36.892 -20.373 17.254 1.00 63.61 ? 185 PRO H HD3 1 ATOM 3124 N N . SER A 1 210 ? 32.761 -16.983 18.529 1.00 62.56 ? 186 SER H N 1 ATOM 3125 C CA . SER A 1 210 ? 31.872 -15.925 18.064 1.00 69.15 ? 186 SER H CA 1 ATOM 3126 C C . SER A 1 210 ? 32.608 -14.589 17.984 1.00 72.62 ? 186 SER H C 1 ATOM 3127 O O . SER A 1 210 ? 32.292 -13.744 17.146 1.00 73.26 ? 186 SER H O 1 ATOM 3128 C CB . SER A 1 210 ? 30.668 -15.797 19.001 1.00 74.71 ? 186 SER H CB 1 ATOM 3129 O OG . SER A 1 210 ? 29.983 -17.031 19.125 1.00 74.31 ? 186 SER H OG 1 ATOM 3130 H H . SER A 1 210 ? 32.493 -17.377 19.245 1.00 75.07 ? 186 SER H H 1 ATOM 3131 H HA . SER A 1 210 ? 31.542 -16.148 17.169 1.00 82.98 ? 186 SER H HA 1 ATOM 3132 H HB2 . SER A 1 210 ? 30.980 -15.520 19.877 1.00 89.65 ? 186 SER H HB2 1 ATOM 3133 H HB3 . SER A 1 210 ? 30.059 -15.133 18.642 1.00 89.65 ? 186 SER H HB3 1 ATOM 3134 H HG . SER A 1 210 ? 29.342 -16.946 19.629 1.00 89.17 ? 186 SER H HG 1 ATOM 3135 N N . SER A 1 211 ? 33.596 -14.409 18.855 1.00 75.12 ? 187 SER H N 1 ATOM 3136 C CA . SER A 1 211 ? 34.321 -13.144 18.952 1.00 78.21 ? 187 SER H CA 1 ATOM 3137 C C . SER A 1 211 ? 35.152 -12.841 17.704 1.00 76.76 ? 187 SER H C 1 ATOM 3138 O O . SER A 1 211 ? 35.413 -11.678 17.394 1.00 77.07 ? 187 SER H O 1 ATOM 3139 C CB . SER A 1 211 ? 35.232 -13.154 20.183 1.00 79.14 ? 187 SER H CB 1 ATOM 3140 O OG . SER A 1 211 ? 36.175 -14.211 20.111 1.00 76.02 ? 187 SER H OG 1 ATOM 3141 H H . SER A 1 211 ? 33.869 -15.009 19.407 1.00 90.15 ? 187 SER H H 1 ATOM 3142 H HA . SER A 1 211 ? 33.673 -12.417 19.064 1.00 93.86 ? 187 SER H HA 1 ATOM 3143 H HB2 . SER A 1 211 ? 35.708 -12.310 20.229 1.00 94.97 ? 187 SER H HB2 1 ATOM 3144 H HB3 . SER A 1 211 ? 34.688 -13.271 20.977 1.00 94.97 ? 187 SER H HB3 1 ATOM 3145 H HG . SER A 1 211 ? 36.655 -14.204 20.776 1.00 91.22 ? 187 SER H HG 1 ATOM 3146 N N . SER A 1 212 ? 35.562 -13.885 16.991 1.00 74.10 ? 188 SER H N 1 ATOM 3147 C CA . SER A 1 212 ? 36.453 -13.726 15.845 1.00 73.75 ? 188 SER H CA 1 ATOM 3148 C C . SER A 1 212 ? 35.708 -13.308 14.577 1.00 78.63 ? 188 SER H C 1 ATOM 3149 O O . SER A 1 212 ? 36.315 -12.803 13.632 1.00 87.69 ? 188 SER H O 1 ATOM 3150 C CB . SER A 1 212 ? 37.224 -15.023 15.589 1.00 66.63 ? 188 SER H CB 1 ATOM 3151 O OG . SER A 1 212 ? 36.360 -16.055 15.149 1.00 63.15 ? 188 SER H OG 1 ATOM 3152 H H . SER A 1 212 ? 35.339 -14.700 17.151 1.00 88.91 ? 188 SER H H 1 ATOM 3153 H HA . SER A 1 212 ? 37.107 -13.025 16.051 1.00 88.50 ? 188 SER H HA 1 ATOM 3154 H HB2 . SER A 1 212 ? 37.894 -14.861 14.906 1.00 79.96 ? 188 SER H HB2 1 ATOM 3155 H HB3 . SER A 1 212 ? 37.653 -15.302 16.413 1.00 79.96 ? 188 SER H HB3 1 ATOM 3156 H HG . SER A 1 212 ? 36.788 -16.742 15.017 1.00 75.78 ? 188 SER H HG 1 ATOM 3157 N N . LEU A 1 213 ? 34.395 -13.515 14.561 1.00 73.35 ? 189 LEU H N 1 ATOM 3158 C CA . LEU A 1 213 ? 33.583 -13.188 13.393 1.00 72.47 ? 189 LEU H CA 1 ATOM 3159 C C . LEU A 1 213 ? 33.613 -11.691 13.110 1.00 85.09 ? 189 LEU H C 1 ATOM 3160 O O . LEU A 1 213 ? 33.478 -10.875 14.022 1.00 96.28 ? 189 LEU H O 1 ATOM 3161 C CB . LEU A 1 213 ? 32.138 -13.644 13.606 1.00 66.25 ? 189 LEU H CB 1 ATOM 3162 C CG . LEU A 1 213 ? 31.930 -15.137 13.861 1.00 61.06 ? 189 LEU H CG 1 ATOM 3163 C CD1 . LEU A 1 213 ? 30.461 -15.434 14.119 1.00 60.14 ? 189 LEU H CD1 1 ATOM 3164 C CD2 . LEU A 1 213 ? 32.448 -15.955 12.691 1.00 56.75 ? 189 LEU H CD2 1 ATOM 3165 H H . LEU A 1 213 ? 33.947 -13.844 15.218 1.00 88.02 ? 189 LEU H H 1 ATOM 3166 H HA . LEU A 1 213 ? 33.940 -13.656 12.610 1.00 86.97 ? 189 LEU H HA 1 ATOM 3167 H HB2 . LEU A 1 213 ? 31.779 -13.167 14.371 1.00 79.50 ? 189 LEU H HB2 1 ATOM 3168 H HB3 . LEU A 1 213 ? 31.627 -13.413 12.814 1.00 79.50 ? 189 LEU H HB3 1 ATOM 3169 H HG . LEU A 1 213 ? 32.431 -15.395 14.651 1.00 73.27 ? 189 LEU H HG 1 ATOM 3170 H HD11 . LEU A 1 213 ? 30.355 -16.375 14.276 1.00 72.16 ? 189 LEU H HD11 1 ATOM 3171 H HD12 . LEU A 1 213 ? 30.173 -14.938 14.889 1.00 72.16 ? 189 LEU H HD12 1 ATOM 3172 H HD13 . LEU A 1 213 ? 29.950 -15.170 13.350 1.00 72.16 ? 189 LEU H HD13 1 ATOM 3173 H HD21 . LEU A 1 213 ? 32.306 -16.887 12.874 1.00 68.09 ? 189 LEU H HD21 1 ATOM 3174 H HD22 . LEU A 1 213 ? 31.971 -15.701 11.897 1.00 68.09 ? 189 LEU H HD22 1 ATOM 3175 H HD23 . LEU A 1 213 ? 33.385 -15.782 12.579 1.00 68.09 ? 189 LEU H HD23 1 ATOM 3176 N N . GLY A 1 214 ? 33.792 -11.336 11.842 1.00 83.23 ? 190 GLY H N 1 ATOM 3177 C CA . GLY A 1 214 ? 33.845 -9.943 11.440 1.00 84.79 ? 190 GLY H CA 1 ATOM 3178 C C . GLY A 1 214 ? 35.271 -9.434 11.348 1.00 84.15 ? 190 GLY H C 1 ATOM 3179 O O . GLY A 1 214 ? 35.545 -8.447 10.666 1.00 85.33 ? 190 GLY H O 1 ATOM 3180 H H . GLY A 1 214 ? 33.886 -11.892 11.192 1.00 99.87 ? 190 GLY H H 1 ATOM 3181 H HA2 . GLY A 1 214 ? 33.423 -9.839 10.572 1.00 101.75 ? 190 GLY H HA2 1 ATOM 3182 H HA3 . GLY A 1 214 ? 33.363 -9.400 12.084 1.00 101.75 ? 190 GLY H HA3 1 ATOM 3183 N N . THR A 1 215 ? 36.180 -10.110 12.044 1.00 82.48 ? 191 THR H N 1 ATOM 3184 C CA . THR A 1 215 ? 37.599 -9.775 11.993 1.00 85.48 ? 191 THR H CA 1 ATOM 3185 C C . THR A 1 215 ? 38.417 -10.936 11.435 1.00 84.46 ? 191 THR H C 1 ATOM 3186 O O . THR A 1 215 ? 39.626 -10.814 11.235 1.00 90.64 ? 191 THR H O 1 ATOM 3187 C CB . THR A 1 215 ? 38.138 -9.421 13.390 1.00 87.52 ? 191 THR H CB 1 ATOM 3188 O OG1 . THR A 1 215 ? 37.837 -10.482 14.306 1.00 86.98 ? 191 THR H OG1 1 ATOM 3189 C CG2 . THR A 1 215 ? 37.514 -8.128 13.892 1.00 89.17 ? 191 THR H CG2 1 ATOM 3190 H H . THR A 1 215 ? 35.999 -10.774 12.559 1.00 98.98 ? 191 THR H H 1 ATOM 3191 H HA . THR A 1 215 ? 37.727 -8.999 11.408 1.00 102.58 ? 191 THR H HA 1 ATOM 3192 H HB . THR A 1 215 ? 39.099 -9.299 13.343 1.00 105.03 ? 191 THR H HB 1 ATOM 3193 H HG1 . THR A 1 215 ? 38.186 -11.179 14.052 1.00 104.38 ? 191 THR H HG1 1 ATOM 3194 H HG21 . THR A 1 215 ? 37.857 -7.915 14.763 1.00 107.00 ? 191 THR H HG21 1 ATOM 3195 H HG22 . THR A 1 215 ? 37.722 -7.409 13.291 1.00 107.00 ? 191 THR H HG22 1 ATOM 3196 H HG23 . THR A 1 215 ? 36.561 -8.224 13.946 1.00 107.00 ? 191 THR H HG23 1 ATOM 3197 N N . GLN A 1 216 ? 37.753 -12.059 11.182 1.00 77.42 ? 192 GLN H N 1 ATOM 3198 C CA . GLN A 1 216 ? 38.425 -13.256 10.689 1.00 75.29 ? 192 GLN H CA 1 ATOM 3199 C C . GLN A 1 216 ? 37.704 -13.814 9.468 1.00 68.40 ? 192 GLN H C 1 ATOM 3200 O O . GLN A 1 216 ? 36.482 -13.970 9.473 1.00 67.21 ? 192 GLN H O 1 ATOM 3201 C CB . GLN A 1 216 ? 38.497 -14.311 11.796 1.00 79.93 ? 192 GLN H CB 1 ATOM 3202 C CG . GLN A 1 216 ? 38.910 -15.696 11.327 1.00 85.09 ? 192 GLN H CG 1 ATOM 3203 C CD . GLN A 1 216 ? 40.277 -15.720 10.672 1.00 94.97 ? 192 GLN H CD 1 ATOM 3204 O OE1 . GLN A 1 216 ? 40.925 -14.687 10.513 1.00 101.27 ? 192 GLN H OE1 1 ATOM 3205 N NE2 . GLN A 1 216 ? 40.722 -16.909 10.289 1.00 96.48 ? 192 GLN H NE2 1 ATOM 3206 H H . GLN A 1 216 ? 36.905 -12.154 11.288 1.00 92.90 ? 192 GLN H H 1 ATOM 3207 H HA . GLN A 1 216 ? 39.341 -13.025 10.426 1.00 90.35 ? 192 GLN H HA 1 ATOM 3208 H HB2 . GLN A 1 216 ? 39.143 -14.021 12.458 1.00 95.91 ? 192 GLN H HB2 1 ATOM 3209 H HB3 . GLN A 1 216 ? 37.622 -14.389 12.206 1.00 95.91 ? 192 GLN H HB3 1 ATOM 3210 H HG2 . GLN A 1 216 ? 38.935 -16.292 12.092 1.00 102.10 ? 192 GLN H HG2 1 ATOM 3211 H HG3 . GLN A 1 216 ? 38.263 -16.015 10.680 1.00 102.10 ? 192 GLN H HG3 1 ATOM 3212 H HE21 . GLN A 1 216 ? 40.241 -17.610 10.417 1.00 115.78 ? 192 GLN H HE21 1 ATOM 3213 H HE22 . GLN A 1 216 ? 41.492 -16.979 9.911 1.00 115.78 ? 192 GLN H HE22 1 ATOM 3214 N N . THR A 1 217 ? 38.471 -14.117 8.425 1.00 64.65 ? 193 THR H N 1 ATOM 3215 C CA . THR A 1 217 ? 37.911 -14.580 7.160 1.00 61.71 ? 193 THR H CA 1 ATOM 3216 C C . THR A 1 217 ? 37.831 -16.102 7.100 1.00 56.04 ? 193 THR H C 1 ATOM 3217 O O . THR A 1 217 ? 38.710 -16.802 7.602 1.00 53.53 ? 193 THR H O 1 ATOM 3218 C CB . THR A 1 217 ? 38.750 -14.073 5.973 1.00 67.40 ? 193 THR H CB 1 ATOM 3219 O OG1 . THR A 1 217 ? 38.626 -12.648 5.874 1.00 73.15 ? 193 THR H OG1 1 ATOM 3220 C CG2 . THR A 1 217 ? 38.290 -14.711 4.670 1.00 66.90 ? 193 THR H CG2 1 ATOM 3221 H H . THR A 1 217 ? 39.329 -14.062 8.426 1.00 77.58 ? 193 THR H H 1 ATOM 3222 H HA . THR A 1 217 ? 37.003 -14.224 7.063 1.00 74.05 ? 193 THR H HA 1 ATOM 3223 H HB . THR A 1 217 ? 39.681 -14.305 6.115 1.00 80.88 ? 193 THR H HB 1 ATOM 3224 H HG1 . THR A 1 217 ? 39.071 -12.371 5.243 1.00 87.78 ? 193 THR H HG1 1 ATOM 3225 H HG21 . THR A 1 217 ? 38.821 -14.386 3.939 1.00 80.28 ? 193 THR H HG21 1 ATOM 3226 H HG22 . THR A 1 217 ? 38.381 -15.665 4.722 1.00 80.28 ? 193 THR H HG22 1 ATOM 3227 H HG23 . THR A 1 217 ? 37.369 -14.495 4.506 1.00 80.28 ? 193 THR H HG23 1 ATOM 3228 N N . TYR A 1 218 ? 36.772 -16.606 6.471 1.00 55.29 ? 194 TYR H N 1 ATOM 3229 C CA . TYR A 1 218 ? 36.540 -18.043 6.373 1.00 53.75 ? 194 TYR H CA 1 ATOM 3230 C C . TYR A 1 218 ? 36.156 -18.450 4.956 1.00 55.11 ? 194 TYR H C 1 ATOM 3231 O O . TYR A 1 218 ? 35.068 -18.126 4.479 1.00 55.74 ? 194 TYR H O 1 ATOM 3232 C CB . TYR A 1 218 ? 35.435 -18.466 7.337 1.00 53.47 ? 194 TYR H CB 1 ATOM 3233 C CG . TYR A 1 218 ? 35.779 -18.252 8.789 1.00 55.85 ? 194 TYR H CG 1 ATOM 3234 C CD1 . TYR A 1 218 ? 36.548 -19.177 9.481 1.00 51.91 ? 194 TYR H CD1 1 ATOM 3235 C CD2 . TYR A 1 218 ? 35.333 -17.129 9.470 1.00 59.66 ? 194 TYR H CD2 1 ATOM 3236 C CE1 . TYR A 1 218 ? 36.866 -18.988 10.810 1.00 52.06 ? 194 TYR H CE1 1 ATOM 3237 C CE2 . TYR A 1 218 ? 35.644 -16.931 10.800 1.00 59.78 ? 194 TYR H CE2 1 ATOM 3238 C CZ . TYR A 1 218 ? 36.412 -17.863 11.465 1.00 56.50 ? 194 TYR H CZ 1 ATOM 3239 O OH . TYR A 1 218 ? 36.723 -17.671 12.792 1.00 59.15 ? 194 TYR H OH 1 ATOM 3240 H H . TYR A 1 218 ? 36.167 -16.130 6.088 1.00 66.35 ? 194 TYR H H 1 ATOM 3241 H HA . TYR A 1 218 ? 37.361 -18.520 6.618 1.00 64.50 ? 194 TYR H HA 1 ATOM 3242 H HB2 . TYR A 1 218 ? 34.636 -17.951 7.143 1.00 64.16 ? 194 TYR H HB2 1 ATOM 3243 H HB3 . TYR A 1 218 ? 35.255 -19.411 7.211 1.00 64.16 ? 194 TYR H HB3 1 ATOM 3244 H HD1 . TYR A 1 218 ? 36.855 -19.936 9.041 1.00 62.29 ? 194 TYR H HD1 1 ATOM 3245 H HD2 . TYR A 1 218 ? 34.816 -16.499 9.023 1.00 71.60 ? 194 TYR H HD2 1 ATOM 3246 H HE1 . TYR A 1 218 ? 37.382 -19.616 11.261 1.00 62.47 ? 194 TYR H HE1 1 ATOM 3247 H HE2 . TYR A 1 218 ? 35.339 -16.173 11.244 1.00 71.73 ? 194 TYR H HE2 1 ATOM 3248 H HH . TYR A 1 218 ? 37.537 -17.636 12.887 1.00 70.98 ? 194 TYR H HH 1 ATOM 3249 N N . ILE A 1 219 ? 37.057 -19.169 4.293 1.00 54.98 ? 195 ILE H N 1 ATOM 3250 C CA . ILE A 1 219 ? 36.823 -19.643 2.936 1.00 52.96 ? 195 ILE H CA 1 ATOM 3251 C C . ILE A 1 219 ? 36.963 -21.156 2.874 1.00 50.29 ? 195 ILE H C 1 ATOM 3252 O O . ILE A 1 219 ? 37.935 -21.717 3.377 1.00 52.41 ? 195 ILE H O 1 ATOM 3253 C CB . ILE A 1 219 ? 37.831 -19.035 1.947 1.00 53.59 ? 195 ILE H CB 1 ATOM 3254 C CG1 . ILE A 1 219 ? 37.796 -17.508 2.018 1.00 55.68 ? 195 ILE H CG1 1 ATOM 3255 C CG2 . ILE A 1 219 ? 37.538 -19.515 0.528 1.00 53.81 ? 195 ILE H CG2 1 ATOM 3256 C CD1 . ILE A 1 219 ? 38.944 -16.835 1.293 1.00 58.57 ? 195 ILE H CD1 1 ATOM 3257 H H . ILE A 1 219 ? 37.821 -19.397 4.614 1.00 65.98 ? 195 ILE H H 1 ATOM 3258 H HA . ILE A 1 219 ? 35.917 -19.399 2.652 1.00 63.55 ? 195 ILE H HA 1 ATOM 3259 H HB . ILE A 1 219 ? 38.720 -19.333 2.194 1.00 64.31 ? 195 ILE H HB 1 ATOM 3260 H HG12 . ILE A 1 219 ? 36.969 -17.195 1.619 1.00 66.81 ? 195 ILE H HG12 1 ATOM 3261 H HG13 . ILE A 1 219 ? 37.835 -17.238 2.949 1.00 66.81 ? 195 ILE H HG13 1 ATOM 3262 H HG21 . ILE A 1 219 ? 38.178 -19.124 -0.072 1.00 64.57 ? 195 ILE H HG21 1 ATOM 3263 H HG22 . ILE A 1 219 ? 37.606 -20.472 0.502 1.00 64.57 ? 195 ILE H HG22 1 ATOM 3264 H HG23 . ILE A 1 219 ? 36.650 -19.243 0.283 1.00 64.57 ? 195 ILE H HG23 1 ATOM 3265 H HD11 . ILE A 1 219 ? 38.855 -15.884 1.381 1.00 70.29 ? 195 ILE H HD11 1 ATOM 3266 H HD12 . ILE A 1 219 ? 39.772 -17.125 1.683 1.00 70.29 ? 195 ILE H HD12 1 ATOM 3267 H HD13 . ILE A 1 219 ? 38.915 -17.082 0.365 1.00 70.29 ? 195 ILE H HD13 1 ATOM 3268 N N . CYS A 1 220 ? 35.988 -21.815 2.258 1.00 45.09 ? 196 CYS H N 1 ATOM 3269 C CA . CYS A 1 220 ? 36.074 -23.249 2.027 1.00 42.12 ? 196 CYS H CA 1 ATOM 3270 C C . CYS A 1 220 ? 36.544 -23.500 0.601 1.00 45.47 ? 196 CYS H C 1 ATOM 3271 O O . CYS A 1 220 ? 36.173 -22.773 -0.320 1.00 46.09 ? 196 CYS H O 1 ATOM 3272 C CB . CYS A 1 220 ? 34.719 -23.918 2.253 1.00 37.08 ? 196 CYS H CB 1 ATOM 3273 S SG . CYS A 1 220 ? 33.483 -23.532 0.997 1.00 91.82 ? 196 CYS H SG 1 ATOM 3274 H H . CYS A 1 220 ? 35.266 -21.453 1.963 1.00 54.10 ? 196 CYS H H 1 ATOM 3275 H HA . CYS A 1 220 ? 36.724 -23.643 2.645 1.00 50.55 ? 196 CYS H HA 1 ATOM 3276 H HB2 . CYS A 1 220 ? 34.844 -24.880 2.258 1.00 44.50 ? 196 CYS H HB2 1 ATOM 3277 H HB3 . CYS A 1 220 ? 34.369 -23.628 3.110 1.00 44.50 ? 196 CYS H HB3 1 ATOM 3278 N N . ASN A 1 221 ? 37.364 -24.529 0.426 1.00 45.92 ? 197 ASN H N 1 ATOM 3279 C CA . ASN A 1 221 ? 37.892 -24.874 -0.885 1.00 46.70 ? 197 ASN H CA 1 ATOM 3280 C C . ASN A 1 221 ? 37.368 -26.230 -1.330 1.00 49.25 ? 197 ASN H C 1 ATOM 3281 O O . ASN A 1 221 ? 37.843 -27.269 -0.874 1.00 52.16 ? 197 ASN H O 1 ATOM 3282 C CB . ASN A 1 221 ? 39.418 -24.891 -0.850 1.00 45.47 ? 197 ASN H CB 1 ATOM 3283 C CG . ASN A 1 221 ? 39.987 -23.822 0.060 1.00 45.58 ? 197 ASN H CG 1 ATOM 3284 O OD1 . ASN A 1 221 ? 40.521 -24.119 1.128 1.00 45.05 ? 197 ASN H OD1 1 ATOM 3285 N ND2 . ASN A 1 221 ? 39.872 -22.569 -0.358 1.00 46.36 ? 197 ASN H ND2 1 ATOM 3286 H H . ASN A 1 221 ? 37.632 -25.048 1.058 1.00 55.10 ? 197 ASN H H 1 ATOM 3287 H HA . ASN A 1 221 ? 37.605 -24.202 -1.538 1.00 56.04 ? 197 ASN H HA 1 ATOM 3288 H HB2 . ASN A 1 221 ? 39.717 -25.754 -0.525 1.00 54.56 ? 197 ASN H HB2 1 ATOM 3289 H HB3 . ASN A 1 221 ? 39.757 -24.736 -1.745 1.00 54.56 ? 197 ASN H HB3 1 ATOM 3290 H HD21 . ASN A 1 221 ? 39.489 -22.400 -1.109 1.00 55.63 ? 197 ASN H HD21 1 ATOM 3291 H HD22 . ASN A 1 221 ? 40.179 -21.925 0.123 1.00 55.63 ? 197 ASN H HD22 1 ATOM 3292 N N . VAL A 1 222 ? 36.377 -26.212 -2.213 1.00 49.12 ? 198 VAL H N 1 ATOM 3293 C CA . VAL A 1 222 ? 35.776 -27.439 -2.713 1.00 49.08 ? 198 VAL H CA 1 ATOM 3294 C C . VAL A 1 222 ? 36.404 -27.840 -4.040 1.00 50.89 ? 198 VAL H C 1 ATOM 3295 O O . VAL A 1 222 ? 36.519 -27.027 -4.957 1.00 49.00 ? 198 VAL H O 1 ATOM 3296 C CB . VAL A 1 222 ? 34.266 -27.272 -2.915 1.00 50.20 ? 198 VAL H CB 1 ATOM 3297 C CG1 . VAL A 1 222 ? 33.633 -28.601 -3.293 1.00 45.71 ? 198 VAL H CG1 1 ATOM 3298 C CG2 . VAL A 1 222 ? 33.627 -26.711 -1.656 1.00 53.91 ? 198 VAL H CG2 1 ATOM 3299 H H . VAL A 1 222 ? 36.032 -25.495 -2.540 1.00 58.95 ? 198 VAL H H 1 ATOM 3300 H HA . VAL A 1 222 ? 35.924 -28.162 -2.068 1.00 58.89 ? 198 VAL H HA 1 ATOM 3301 H HB . VAL A 1 222 ? 34.107 -26.639 -3.646 1.00 60.24 ? 198 VAL H HB 1 ATOM 3302 H HG11 . VAL A 1 222 ? 32.689 -28.474 -3.415 1.00 54.85 ? 198 VAL H HG11 1 ATOM 3303 H HG12 . VAL A 1 222 ? 34.029 -28.914 -4.110 1.00 54.85 ? 198 VAL H HG12 1 ATOM 3304 H HG13 . VAL A 1 222 ? 33.790 -29.233 -2.589 1.00 54.85 ? 198 VAL H HG13 1 ATOM 3305 H HG21 . VAL A 1 222 ? 32.683 -26.614 -1.801 1.00 64.70 ? 198 VAL H HG21 1 ATOM 3306 H HG22 . VAL A 1 222 ? 33.785 -27.318 -0.929 1.00 64.70 ? 198 VAL H HG22 1 ATOM 3307 H HG23 . VAL A 1 222 ? 34.018 -25.857 -1.461 1.00 64.70 ? 198 VAL H HG23 1 ATOM 3308 N N . ASN A 1 223 ? 36.805 -29.102 -4.137 1.00 54.30 ? 199 ASN H N 1 ATOM 3309 C CA . ASN A 1 223 ? 37.466 -29.604 -5.332 1.00 57.40 ? 199 ASN H CA 1 ATOM 3310 C C . ASN A 1 223 ? 36.915 -30.968 -5.741 1.00 49.59 ? 199 ASN H C 1 ATOM 3311 O O . ASN A 1 223 ? 37.004 -31.936 -4.988 1.00 47.52 ? 199 ASN H O 1 ATOM 3312 C CB . ASN A 1 223 ? 38.977 -29.676 -5.097 1.00 67.85 ? 199 ASN H CB 1 ATOM 3313 C CG . ASN A 1 223 ? 39.695 -30.492 -6.149 1.00 80.52 ? 199 ASN H CG 1 ATOM 3314 O OD1 . ASN A 1 223 ? 39.930 -30.024 -7.264 1.00 86.19 ? 199 ASN H OD1 1 ATOM 3315 N ND2 . ASN A 1 223 ? 40.062 -31.717 -5.795 1.00 85.01 ? 199 ASN H ND2 1 ATOM 3316 H H . ASN A 1 223 ? 36.704 -29.691 -3.519 1.00 65.15 ? 199 ASN H H 1 ATOM 3317 H HA . ASN A 1 223 ? 37.305 -28.980 -6.070 1.00 68.88 ? 199 ASN H HA 1 ATOM 3318 H HB2 . ASN A 1 223 ? 39.342 -28.777 -5.113 1.00 81.42 ? 199 ASN H HB2 1 ATOM 3319 H HB3 . ASN A 1 223 ? 39.143 -30.086 -4.234 1.00 81.42 ? 199 ASN H HB3 1 ATOM 3320 H HD21 . ASN A 1 223 ? 39.889 -32.006 -5.004 1.00 102.02 ? 199 ASN H HD21 1 ATOM 3321 H HD22 . ASN A 1 223 ? 40.473 -32.221 -6.357 1.00 102.02 ? 199 ASN H HD22 1 ATOM 3322 N N . HIS A 1 224 ? 36.333 -31.025 -6.936 1.00 46.16 ? 200 HIS H N 1 ATOM 3323 C CA . HIS A 1 224 ? 35.742 -32.250 -7.463 1.00 44.27 ? 200 HIS H CA 1 ATOM 3324 C C . HIS A 1 224 ? 36.489 -32.674 -8.725 1.00 48.06 ? 200 HIS H C 1 ATOM 3325 O O . HIS A 1 224 ? 36.181 -32.215 -9.825 1.00 47.12 ? 200 HIS H O 1 ATOM 3326 C CB . HIS A 1 224 ? 34.259 -32.014 -7.765 1.00 45.50 ? 200 HIS H CB 1 ATOM 3327 C CG . HIS A 1 224 ? 33.522 -33.240 -8.206 1.00 50.38 ? 200 HIS H CG 1 ATOM 3328 N ND1 . HIS A 1 224 ? 32.913 -33.336 -9.438 1.00 52.42 ? 200 HIS H ND1 1 ATOM 3329 C CD2 . HIS A 1 224 ? 33.288 -34.416 -7.577 1.00 54.43 ? 200 HIS H CD2 1 ATOM 3330 C CE1 . HIS A 1 224 ? 32.338 -34.520 -9.552 1.00 54.34 ? 200 HIS H CE1 1 ATOM 3331 N NE2 . HIS A 1 224 ? 32.551 -35.195 -8.437 1.00 55.38 ? 200 HIS H NE2 1 ATOM 3332 H H . HIS A 1 224 ? 36.267 -30.354 -7.469 1.00 55.40 ? 200 HIS H H 1 ATOM 3333 H HA . HIS A 1 224 ? 35.817 -32.966 -6.798 1.00 53.13 ? 200 HIS H HA 1 ATOM 3334 H HB2 . HIS A 1 224 ? 33.827 -31.682 -6.962 1.00 54.61 ? 200 HIS H HB2 1 ATOM 3335 H HB3 . HIS A 1 224 ? 34.187 -31.355 -8.472 1.00 54.61 ? 200 HIS H HB3 1 ATOM 3336 H HD2 . HIS A 1 224 ? 33.574 -34.654 -6.725 1.00 65.32 ? 200 HIS H HD2 1 ATOM 3337 H HE1 . HIS A 1 224 ? 31.865 -34.826 -10.291 1.00 65.21 ? 200 HIS H HE1 1 ATOM 3338 H HE2 . HIS A 1 224 ? 32.274 -35.993 -8.275 1.00 66.46 ? 200 HIS H HE2 1 ATOM 3339 N N . LYS A 1 225 ? 37.473 -33.553 -8.557 1.00 53.18 ? 201 LYS H N 1 ATOM 3340 C CA . LYS A 1 225 ? 38.360 -33.945 -9.652 1.00 59.01 ? 201 LYS H CA 1 ATOM 3341 C C . LYS A 1 225 ? 37.645 -34.613 -10.824 1.00 57.34 ? 201 LYS H C 1 ATOM 3342 O O . LYS A 1 225 ? 38.001 -34.379 -11.978 1.00 61.30 ? 201 LYS H O 1 ATOM 3343 C CB . LYS A 1 225 ? 39.469 -34.861 -9.131 1.00 68.04 ? 201 LYS H CB 1 ATOM 3344 C CG . LYS A 1 225 ? 40.440 -34.155 -8.208 1.00 76.15 ? 201 LYS H CG 1 ATOM 3345 C CD . LYS A 1 225 ? 41.532 -35.084 -7.706 1.00 81.50 ? 201 LYS H CD 1 ATOM 3346 C CE . LYS A 1 225 ? 42.652 -34.310 -7.023 1.00 80.24 ? 201 LYS H CE 1 ATOM 3347 N NZ . LYS A 1 225 ? 43.468 -33.516 -7.987 1.00 79.77 ? 201 LYS H NZ 1 ATOM 3348 H H . LYS A 1 225 ? 37.650 -33.942 -7.811 1.00 63.82 ? 201 LYS H H 1 ATOM 3349 H HA . LYS A 1 225 ? 38.791 -33.136 -10.000 1.00 70.82 ? 201 LYS H HA 1 ATOM 3350 H HB2 . LYS A 1 225 ? 39.066 -35.593 -8.638 1.00 81.64 ? 201 LYS H HB2 1 ATOM 3351 H HB3 . LYS A 1 225 ? 39.971 -35.207 -9.885 1.00 81.64 ? 201 LYS H HB3 1 ATOM 3352 H HG2 . LYS A 1 225 ? 40.861 -33.425 -8.688 1.00 91.38 ? 201 LYS H HG2 1 ATOM 3353 H HG3 . LYS A 1 225 ? 39.957 -33.814 -7.439 1.00 91.38 ? 201 LYS H HG3 1 ATOM 3354 H HD2 . LYS A 1 225 ? 41.155 -35.704 -7.063 1.00 97.80 ? 201 LYS H HD2 1 ATOM 3355 H HD3 . LYS A 1 225 ? 41.911 -35.567 -8.457 1.00 97.80 ? 201 LYS H HD3 1 ATOM 3356 H HE2 . LYS A 1 225 ? 42.265 -33.696 -6.379 1.00 96.29 ? 201 LYS H HE2 1 ATOM 3357 H HE3 . LYS A 1 225 ? 43.241 -34.935 -6.573 1.00 96.29 ? 201 LYS H HE3 1 ATOM 3358 H HZ1 . LYS A 1 225 ? 42.952 -32.927 -8.410 1.00 95.73 ? 201 LYS H HZ1 1 ATOM 3359 H HZ2 . LYS A 1 225 ? 44.110 -33.078 -7.553 1.00 95.73 ? 201 LYS H HZ2 1 ATOM 3360 H HZ3 . LYS A 1 225 ? 43.841 -34.057 -8.587 1.00 95.73 ? 201 LYS H HZ3 1 ATOM 3361 N N . PRO A 1 226 ? 36.638 -35.452 -10.539 1.00 54.30 ? 202 PRO H N 1 ATOM 3362 C CA . PRO A 1 226 ? 35.920 -36.123 -11.629 1.00 56.57 ? 202 PRO H CA 1 ATOM 3363 C C . PRO A 1 226 ? 35.449 -35.159 -12.720 1.00 59.74 ? 202 PRO H C 1 ATOM 3364 O O . PRO A 1 226 ? 35.466 -35.513 -13.899 1.00 65.56 ? 202 PRO H O 1 ATOM 3365 C CB . PRO A 1 226 ? 34.725 -36.754 -10.916 1.00 54.76 ? 202 PRO H CB 1 ATOM 3366 C CG . PRO A 1 226 ? 35.210 -37.005 -9.531 1.00 53.61 ? 202 PRO H CG 1 ATOM 3367 C CD . PRO A 1 226 ? 36.149 -35.875 -9.214 1.00 52.98 ? 202 PRO H CD 1 ATOM 3368 H HA . PRO A 1 226 ? 36.475 -36.826 -12.026 1.00 67.88 ? 202 PRO H HA 1 ATOM 3369 H HB2 . PRO A 1 226 ? 33.978 -36.134 -10.913 1.00 65.71 ? 202 PRO H HB2 1 ATOM 3370 H HB3 . PRO A 1 226 ? 34.483 -37.585 -11.353 1.00 65.71 ? 202 PRO H HB3 1 ATOM 3371 H HG2 . PRO A 1 226 ? 34.458 -37.005 -8.918 1.00 64.33 ? 202 PRO H HG2 1 ATOM 3372 H HG3 . PRO A 1 226 ? 35.677 -37.855 -9.499 1.00 64.33 ? 202 PRO H HG3 1 ATOM 3373 H HD2 . PRO A 1 226 ? 35.671 -35.149 -8.782 1.00 63.58 ? 202 PRO H HD2 1 ATOM 3374 H HD3 . PRO A 1 226 ? 36.885 -36.191 -8.667 1.00 63.58 ? 202 PRO H HD3 1 ATOM 3375 N N . SER A 1 227 ? 35.040 -33.957 -12.324 1.00 56.18 ? 203 SER H N 1 ATOM 3376 C CA . SER A 1 227 ? 34.571 -32.948 -13.270 1.00 57.00 ? 203 SER H CA 1 ATOM 3377 C C . SER A 1 227 ? 35.567 -31.798 -13.398 1.00 55.68 ? 203 SER H C 1 ATOM 3378 O O . SER A 1 227 ? 35.299 -30.809 -14.080 1.00 56.23 ? 203 SER H O 1 ATOM 3379 C CB . SER A 1 227 ? 33.223 -32.394 -12.814 1.00 59.28 ? 203 SER H CB 1 ATOM 3380 O OG . SER A 1 227 ? 33.351 -31.749 -11.562 1.00 59.12 ? 203 SER H OG 1 ATOM 3381 H H . SER A 1 227 ? 35.024 -33.698 -11.504 1.00 67.41 ? 203 SER H H 1 ATOM 3382 H HA . SER A 1 227 ? 34.456 -33.357 -14.153 1.00 68.40 ? 203 SER H HA 1 ATOM 3383 H HB2 . SER A 1 227 ? 32.905 -31.754 -13.470 1.00 71.13 ? 203 SER H HB2 1 ATOM 3384 H HB3 . SER A 1 227 ? 32.592 -33.126 -12.731 1.00 71.13 ? 203 SER H HB3 1 ATOM 3385 H HG . SER A 1 227 ? 32.624 -31.454 -11.323 1.00 70.95 ? 203 SER H HG 1 ATOM 3386 N N . ASN A 1 228 ? 36.713 -31.932 -12.736 1.00 58.48 ? 204 ASN H N 1 ATOM 3387 C CA . ASN A 1 228 ? 37.729 -30.884 -12.724 1.00 68.60 ? 204 ASN H CA 1 ATOM 3388 C C . ASN A 1 228 ? 37.178 -29.564 -12.194 1.00 74.84 ? 204 ASN H C 1 ATOM 3389 O O . ASN A 1 228 ? 37.516 -28.492 -12.697 1.00 86.11 ? 204 ASN H O 1 ATOM 3390 C CB . ASN A 1 228 ? 38.325 -30.689 -14.122 1.00 76.83 ? 204 ASN H CB 1 ATOM 3391 C CG . ASN A 1 228 ? 39.403 -31.706 -14.444 1.00 82.76 ? 204 ASN H CG 1 ATOM 3392 O OD1 . ASN A 1 228 ? 40.089 -32.204 -13.551 1.00 79.09 ? 204 ASN H OD1 1 ATOM 3393 N ND2 . ASN A 1 228 ? 39.562 -32.014 -15.727 1.00 91.18 ? 204 ASN H ND2 1 ATOM 3394 H H . ASN A 1 228 ? 36.928 -32.630 -12.281 1.00 70.18 ? 204 ASN H H 1 ATOM 3395 H HA . ASN A 1 228 ? 38.456 -31.162 -12.128 1.00 82.32 ? 204 ASN H HA 1 ATOM 3396 H HB2 . ASN A 1 228 ? 37.620 -30.779 -14.782 1.00 92.20 ? 204 ASN H HB2 1 ATOM 3397 H HB3 . ASN A 1 228 ? 38.720 -29.805 -14.177 1.00 92.20 ? 204 ASN H HB3 1 ATOM 3398 H HD21 . ASN A 1 228 ? 39.067 -31.642 -16.323 1.00 109.41 ? 204 ASN H HD21 1 ATOM 3399 H HD22 . ASN A 1 228 ? 40.161 -32.586 -15.961 1.00 109.41 ? 204 ASN H HD22 1 ATOM 3400 N N . THR A 1 229 ? 36.332 -29.651 -11.173 1.00 67.93 ? 205 THR H N 1 ATOM 3401 C CA . THR A 1 229 ? 35.734 -28.467 -10.572 1.00 66.21 ? 205 THR H CA 1 ATOM 3402 C C . THR A 1 229 ? 36.507 -28.043 -9.329 1.00 60.48 ? 205 THR H C 1 ATOM 3403 O O . THR A 1 229 ? 36.781 -28.858 -8.450 1.00 62.15 ? 205 THR H O 1 ATOM 3404 C CB . THR A 1 229 ? 34.266 -28.722 -10.171 1.00 71.18 ? 205 THR H CB 1 ATOM 3405 O OG1 . THR A 1 229 ? 33.545 -29.262 -11.286 1.00 77.80 ? 205 THR H OG1 1 ATOM 3406 C CG2 . THR A 1 229 ? 33.603 -27.433 -9.713 1.00 70.90 ? 205 THR H CG2 1 ATOM 3407 H H . THR A 1 229 ? 36.087 -30.390 -10.808 1.00 81.51 ? 205 THR H H 1 ATOM 3408 H HA . THR A 1 229 ? 35.756 -27.729 -11.217 1.00 79.45 ? 205 THR H HA 1 ATOM 3409 H HB . THR A 1 229 ? 34.240 -29.355 -9.437 1.00 85.41 ? 205 THR H HB 1 ATOM 3410 H HG1 . THR A 1 229 ? 33.884 -29.969 -11.523 1.00 93.36 ? 205 THR H HG1 1 ATOM 3411 H HG21 . THR A 1 229 ? 32.691 -27.603 -9.466 1.00 85.09 ? 205 THR H HG21 1 ATOM 3412 H HG22 . THR A 1 229 ? 34.070 -27.076 -8.954 1.00 85.09 ? 205 THR H HG22 1 ATOM 3413 H HG23 . THR A 1 229 ? 33.619 -26.786 -10.422 1.00 85.09 ? 205 THR H HG23 1 ATOM 3414 N N . LYS A 1 230 ? 36.866 -26.765 -9.268 1.00 55.31 ? 206 LYS H N 1 ATOM 3415 C CA . LYS A 1 230 ? 37.441 -26.181 -8.062 1.00 53.90 ? 206 LYS H CA 1 ATOM 3416 C C . LYS A 1 230 ? 36.677 -24.910 -7.715 1.00 57.11 ? 206 LYS H C 1 ATOM 3417 O O . LYS A 1 230 ? 36.484 -24.040 -8.563 1.00 57.28 ? 206 LYS H O 1 ATOM 3418 C CB . LYS A 1 230 ? 38.927 -25.870 -8.252 1.00 56.00 ? 206 LYS H CB 1 ATOM 3419 C CG . LYS A 1 230 ? 39.829 -27.095 -8.245 1.00 61.76 ? 206 LYS H CG 1 ATOM 3420 C CD . LYS A 1 230 ? 41.294 -26.700 -8.338 1.00 74.13 ? 206 LYS H CD 1 ATOM 3421 C CE . LYS A 1 230 ? 42.182 -27.905 -8.601 1.00 83.39 ? 206 LYS H CE 1 ATOM 3422 N NZ . LYS A 1 230 ? 43.590 -27.508 -8.876 1.00 90.80 ? 206 LYS H NZ 1 ATOM 3423 H H . LYS A 1 230 ? 36.785 -26.210 -9.920 1.00 66.37 ? 206 LYS H H 1 ATOM 3424 H HA . LYS A 1 230 ? 37.348 -26.812 -7.318 1.00 64.68 ? 206 LYS H HA 1 ATOM 3425 H HB2 . LYS A 1 230 ? 39.045 -25.422 -9.104 1.00 67.20 ? 206 LYS H HB2 1 ATOM 3426 H HB3 . LYS A 1 230 ? 39.216 -25.287 -7.533 1.00 67.20 ? 206 LYS H HB3 1 ATOM 3427 H HG2 . LYS A 1 230 ? 39.697 -27.585 -7.418 1.00 74.11 ? 206 LYS H HG2 1 ATOM 3428 H HG3 . LYS A 1 230 ? 39.615 -27.655 -9.007 1.00 74.11 ? 206 LYS H HG3 1 ATOM 3429 H HD2 . LYS A 1 230 ? 41.410 -26.072 -9.068 1.00 88.96 ? 206 LYS H HD2 1 ATOM 3430 H HD3 . LYS A 1 230 ? 41.570 -26.296 -7.501 1.00 88.96 ? 206 LYS H HD3 1 ATOM 3431 H HE2 . LYS A 1 230 ? 42.176 -28.480 -7.820 1.00 100.07 ? 206 LYS H HE2 1 ATOM 3432 H HE3 . LYS A 1 230 ? 41.846 -28.385 -9.373 1.00 100.07 ? 206 LYS H HE3 1 ATOM 3433 H HZ1 . LYS A 1 230 ? 44.086 -28.232 -9.026 1.00 108.96 ? 206 LYS H HZ1 1 ATOM 3434 H HZ2 . LYS A 1 230 ? 43.623 -26.981 -9.593 1.00 108.96 ? 206 LYS H HZ2 1 ATOM 3435 H HZ3 . LYS A 1 230 ? 43.924 -27.068 -8.178 1.00 108.96 ? 206 LYS H HZ3 1 ATOM 3436 N N . VAL A 1 231 ? 36.237 -24.809 -6.466 1.00 60.45 ? 207 VAL H N 1 ATOM 3437 C CA . VAL A 1 231 ? 35.433 -23.676 -6.034 1.00 63.13 ? 207 VAL H CA 1 ATOM 3438 C C . VAL A 1 231 ? 35.848 -23.213 -4.645 1.00 61.62 ? 207 VAL H C 1 ATOM 3439 O O . VAL A 1 231 ? 36.068 -24.026 -3.749 1.00 58.76 ? 207 VAL H O 1 ATOM 3440 C CB . VAL A 1 231 ? 33.935 -24.035 -6.007 1.00 62.43 ? 207 VAL H CB 1 ATOM 3441 C CG1 . VAL A 1 231 ? 33.108 -22.844 -5.540 1.00 64.08 ? 207 VAL H CG1 1 ATOM 3442 C CG2 . VAL A 1 231 ? 33.480 -24.499 -7.379 1.00 62.62 ? 207 VAL H CG2 1 ATOM 3443 H H . VAL A 1 231 ? 36.392 -25.386 -5.848 1.00 72.54 ? 207 VAL H H 1 ATOM 3444 H HA . VAL A 1 231 ? 35.560 -22.931 -6.658 1.00 75.75 ? 207 VAL H HA 1 ATOM 3445 H HB . VAL A 1 231 ? 33.794 -24.770 -5.374 1.00 74.92 ? 207 VAL H HB 1 ATOM 3446 H HG11 . VAL A 1 231 ? 32.181 -23.093 -5.532 1.00 76.90 ? 207 VAL H HG11 1 ATOM 3447 H HG12 . VAL A 1 231 ? 33.389 -22.596 -4.656 1.00 76.90 ? 207 VAL H HG12 1 ATOM 3448 H HG13 . VAL A 1 231 ? 33.246 -22.112 -6.145 1.00 76.90 ? 207 VAL H HG13 1 ATOM 3449 H HG21 . VAL A 1 231 ? 32.546 -24.717 -7.341 1.00 75.15 ? 207 VAL H HG21 1 ATOM 3450 H HG22 . VAL A 1 231 ? 33.625 -23.792 -8.012 1.00 75.15 ? 207 VAL H HG22 1 ATOM 3451 H HG23 . VAL A 1 231 ? 33.987 -25.274 -7.631 1.00 75.15 ? 207 VAL H HG23 1 ATOM 3452 N N . ASP A 1 232 ? 35.957 -21.900 -4.480 1.00 62.41 ? 208 ASP H N 1 ATOM 3453 C CA . ASP A 1 232 ? 36.225 -21.308 -3.177 1.00 59.32 ? 208 ASP H CA 1 ATOM 3454 C C . ASP A 1 232 ? 35.054 -20.421 -2.784 1.00 56.00 ? 208 ASP H C 1 ATOM 3455 O O . ASP A 1 232 ? 34.688 -19.507 -3.524 1.00 58.17 ? 208 ASP H O 1 ATOM 3456 C CB . ASP A 1 232 ? 37.516 -20.490 -3.210 1.00 65.42 ? 208 ASP H CB 1 ATOM 3457 C CG . ASP A 1 232 ? 38.742 -21.343 -3.474 1.00 71.55 ? 208 ASP H CG 1 ATOM 3458 O OD1 . ASP A 1 232 ? 38.659 -22.577 -3.292 1.00 73.37 ? 208 ASP H OD1 1 ATOM 3459 O OD2 . ASP A 1 232 ? 39.790 -20.779 -3.854 1.00 76.18 ? 208 ASP H OD2 1 ATOM 3460 H H . ASP A 1 232 ? 35.879 -21.325 -5.114 1.00 74.89 ? 208 ASP H H 1 ATOM 3461 H HA . ASP A 1 232 ? 36.320 -22.017 -2.507 1.00 71.18 ? 208 ASP H HA 1 ATOM 3462 H HB2 . ASP A 1 232 ? 37.453 -19.828 -3.916 1.00 78.51 ? 208 ASP H HB2 1 ATOM 3463 H HB3 . ASP A 1 232 ? 37.635 -20.051 -2.353 1.00 78.51 ? 208 ASP H HB3 1 ATOM 3464 N N . LYS A 1 233 ? 34.460 -20.695 -1.627 1.00 52.68 ? 209 LYS H N 1 ATOM 3465 C CA . LYS A 1 233 ? 33.307 -19.925 -1.172 1.00 52.28 ? 209 LYS H CA 1 ATOM 3466 C C . LYS A 1 233 ? 33.580 -19.221 0.151 1.00 51.04 ? 209 LYS H C 1 ATOM 3467 O O . LYS A 1 233 ? 33.917 -19.861 1.147 1.00 47.66 ? 209 LYS H O 1 ATOM 3468 C CB . LYS A 1 233 ? 32.081 -20.830 -1.027 1.00 53.16 ? 209 LYS H CB 1 ATOM 3469 C CG . LYS A 1 233 ? 30.842 -20.309 -1.738 1.00 61.77 ? 209 LYS H CG 1 ATOM 3470 C CD . LYS A 1 233 ? 30.496 -18.890 -1.328 1.00 72.16 ? 209 LYS H CD 1 ATOM 3471 C CE . LYS A 1 233 ? 29.559 -18.255 -2.336 1.00 78.35 ? 209 LYS H CE 1 ATOM 3472 N NZ . LYS A 1 233 ? 29.489 -16.778 -2.163 1.00 81.63 ? 209 LYS H NZ 1 ATOM 3473 H H . LYS A 1 233 ? 34.704 -21.319 -1.088 1.00 63.22 ? 209 LYS H H 1 ATOM 3474 H HA . LYS A 1 233 ? 33.099 -19.240 -1.841 1.00 62.74 ? 209 LYS H HA 1 ATOM 3475 H HB2 . LYS A 1 233 ? 32.291 -21.701 -1.397 1.00 63.79 ? 209 LYS H HB2 1 ATOM 3476 H HB3 . LYS A 1 233 ? 31.867 -20.916 -0.085 1.00 63.79 ? 209 LYS H HB3 1 ATOM 3477 H HG2 . LYS A 1 233 ? 30.999 -20.316 -2.696 1.00 74.12 ? 209 LYS H HG2 1 ATOM 3478 H HG3 . LYS A 1 233 ? 30.088 -20.878 -1.520 1.00 74.12 ? 209 LYS H HG3 1 ATOM 3479 H HD2 . LYS A 1 233 ? 30.054 -18.902 -0.464 1.00 86.59 ? 209 LYS H HD2 1 ATOM 3480 H HD3 . LYS A 1 233 ? 31.306 -18.359 -1.286 1.00 86.59 ? 209 LYS H HD3 1 ATOM 3481 H HE2 . LYS A 1 233 ? 29.880 -18.441 -3.232 1.00 94.02 ? 209 LYS H HE2 1 ATOM 3482 H HE3 . LYS A 1 233 ? 28.667 -18.617 -2.216 1.00 94.02 ? 209 LYS H HE3 1 ATOM 3483 H HZ1 . LYS A 1 233 ? 28.934 -16.428 -2.764 1.00 97.96 ? 209 LYS H HZ1 1 ATOM 3484 H HZ2 . LYS A 1 233 ? 29.193 -16.581 -1.347 1.00 97.96 ? 209 LYS H HZ2 1 ATOM 3485 H HZ3 . LYS A 1 233 ? 30.296 -16.421 -2.272 1.00 97.96 ? 209 LYS H HZ3 1 ATOM 3486 N N . ARG A 1 234 ? 33.430 -17.900 0.151 1.00 56.38 ? 210 ARG H N 1 ATOM 3487 C CA . ARG A 1 234 ? 33.540 -17.116 1.374 1.00 62.94 ? 210 ARG H CA 1 ATOM 3488 C C . ARG A 1 234 ? 32.272 -17.276 2.203 1.00 58.56 ? 210 ARG H C 1 ATOM 3489 O O . ARG A 1 234 ? 31.173 -16.988 1.728 1.00 56.26 ? 210 ARG H O 1 ATOM 3490 C CB . ARG A 1 234 ? 33.739 -15.634 1.054 1.00 77.67 ? 210 ARG H CB 1 ATOM 3491 C CG . ARG A 1 234 ? 35.035 -15.290 0.346 1.00 94.14 ? 210 ARG H CG 1 ATOM 3492 C CD . ARG A 1 234 ? 35.091 -13.801 0.043 1.00 111.35 ? 210 ARG H CD 1 ATOM 3493 N NE . ARG A 1 234 ? 36.279 -13.429 -0.719 1.00 121.68 ? 210 ARG H NE 1 ATOM 3494 C CZ . ARG A 1 234 ? 36.534 -12.197 -1.149 1.00 129.17 ? 210 ARG H CZ 1 ATOM 3495 N NH1 . ARG A 1 234 ? 35.683 -11.212 -0.896 1.00 132.78 ? 210 ARG H NH1 1 ATOM 3496 N NH2 . ARG A 1 234 ? 37.641 -11.948 -1.835 1.00 131.62 ? 210 ARG H NH2 1 ATOM 3497 H H . ARG A 1 234 ? 33.262 -17.431 -0.550 1.00 67.66 ? 210 ARG H H 1 ATOM 3498 H HA . ARG A 1 234 ? 34.304 -17.431 1.902 1.00 75.52 ? 210 ARG H HA 1 ATOM 3499 H HB2 . ARG A 1 234 ? 33.009 -15.342 0.486 1.00 93.20 ? 210 ARG H HB2 1 ATOM 3500 H HB3 . ARG A 1 234 ? 33.721 -15.136 1.886 1.00 93.20 ? 210 ARG H HB3 1 ATOM 3501 H HG2 . ARG A 1 234 ? 35.786 -15.517 0.916 1.00 112.97 ? 210 ARG H HG2 1 ATOM 3502 H HG3 . ARG A 1 234 ? 35.085 -15.776 -0.492 1.00 112.97 ? 210 ARG H HG3 1 ATOM 3503 H HD2 . ARG A 1 234 ? 34.311 -13.554 -0.477 1.00 133.62 ? 210 ARG H HD2 1 ATOM 3504 H HD3 . ARG A 1 234 ? 35.103 -13.309 0.878 1.00 133.62 ? 210 ARG H HD3 1 ATOM 3505 H HE . ARG A 1 234 ? 36.865 -14.039 -0.875 1.00 146.02 ? 210 ARG H HE 1 ATOM 3506 H HH11 . ARG A 1 234 ? 34.964 -11.368 -0.451 1.00 159.34 ? 210 ARG H HH11 1 ATOM 3507 H HH12 . ARG A 1 234 ? 35.851 -10.416 -1.176 1.00 159.34 ? 210 ARG H HH12 1 ATOM 3508 H HH21 . ARG A 1 234 ? 38.195 -12.584 -2.002 1.00 157.95 ? 210 ARG H HH21 1 ATOM 3509 H HH22 . ARG A 1 234 ? 37.804 -11.151 -2.113 1.00 157.95 ? 210 ARG H HH22 1 ATOM 3510 N N . VAL A 1 235 ? 32.424 -17.737 3.439 1.00 57.42 ? 211 VAL H N 1 ATOM 3511 C CA . VAL A 1 235 ? 31.295 -17.828 4.354 1.00 54.89 ? 211 VAL H CA 1 ATOM 3512 C C . VAL A 1 235 ? 31.351 -16.671 5.345 1.00 57.32 ? 211 VAL H C 1 ATOM 3513 O O . VAL A 1 235 ? 32.282 -16.571 6.145 1.00 56.70 ? 211 VAL H O 1 ATOM 3514 C CB . VAL A 1 235 ? 31.288 -19.158 5.122 1.00 49.02 ? 211 VAL H CB 1 ATOM 3515 C CG1 . VAL A 1 235 ? 29.988 -19.310 5.900 1.00 48.71 ? 211 VAL H CG1 1 ATOM 3516 C CG2 . VAL A 1 235 ? 31.476 -20.325 4.163 1.00 46.14 ? 211 VAL H CG2 1 ATOM 3517 H H . VAL A 1 235 ? 33.171 -18.005 3.771 1.00 68.90 ? 211 VAL H H 1 ATOM 3518 H HA . VAL A 1 235 ? 30.459 -17.760 3.847 1.00 65.87 ? 211 VAL H HA 1 ATOM 3519 H HB . VAL A 1 235 ? 32.030 -19.165 5.762 1.00 58.82 ? 211 VAL H HB 1 ATOM 3520 H HG11 . VAL A 1 235 ? 30.002 -20.146 6.372 1.00 58.45 ? 211 VAL H HG11 1 ATOM 3521 H HG12 . VAL A 1 235 ? 29.910 -18.583 6.523 1.00 58.45 ? 211 VAL H HG12 1 ATOM 3522 H HG13 . VAL A 1 235 ? 29.252 -19.294 5.284 1.00 58.45 ? 211 VAL H HG13 1 ATOM 3523 H HG21 . VAL A 1 235 ? 31.469 -21.144 4.663 1.00 55.36 ? 211 VAL H HG21 1 ATOM 3524 H HG22 . VAL A 1 235 ? 30.759 -20.324 3.525 1.00 55.36 ? 211 VAL H HG22 1 ATOM 3525 H HG23 . VAL A 1 235 ? 32.317 -20.224 3.711 1.00 55.36 ? 211 VAL H HG23 1 ATOM 3526 N N . GLU A 1 236 ? 30.351 -15.797 5.282 1.00 60.95 ? 212 GLU H N 1 ATOM 3527 C CA . GLU A 1 236 ? 30.316 -14.607 6.122 1.00 69.34 ? 212 GLU H CA 1 ATOM 3528 C C . GLU A 1 236 ? 28.979 -14.485 6.846 1.00 66.99 ? 212 GLU H C 1 ATOM 3529 O O . GLU A 1 236 ? 27.989 -15.092 6.436 1.00 66.50 ? 212 GLU H O 1 ATOM 3530 C CB . GLU A 1 236 ? 30.567 -13.360 5.270 1.00 83.77 ? 212 GLU H CB 1 ATOM 3531 C CG . GLU A 1 236 ? 31.987 -13.256 4.736 1.00 94.92 ? 212 GLU H CG 1 ATOM 3532 C CD . GLU A 1 236 ? 32.130 -12.209 3.648 1.00 105.05 ? 212 GLU H CD 1 ATOM 3533 O OE1 . GLU A 1 236 ? 31.102 -11.823 3.053 1.00 107.66 ? 212 GLU H OE1 1 ATOM 3534 O OE2 . GLU A 1 236 ? 33.272 -11.772 3.388 1.00 109.07 ? 212 GLU H OE2 1 ATOM 3535 H H . GLU A 1 236 ? 29.676 -15.872 4.755 1.00 73.14 ? 212 GLU H H 1 ATOM 3536 H HA . GLU A 1 236 ? 31.025 -14.666 6.795 1.00 83.20 ? 212 GLU H HA 1 ATOM 3537 H HB2 . GLU A 1 236 ? 29.964 -13.375 4.510 1.00 100.53 ? 212 GLU H HB2 1 ATOM 3538 H HB3 . GLU A 1 236 ? 30.395 -12.573 5.811 1.00 100.53 ? 212 GLU H HB3 1 ATOM 3539 H HG2 . GLU A 1 236 ? 32.582 -13.016 5.464 1.00 113.90 ? 212 GLU H HG2 1 ATOM 3540 H HG3 . GLU A 1 236 ? 32.248 -14.113 4.364 1.00 113.90 ? 212 GLU H HG3 1 ATOM 3541 N N . PRO A 1 237 ? 28.949 -13.697 7.932 1.00 64.62 ? 213 PRO H N 1 ATOM 3542 C CA . PRO A 1 237 ? 27.728 -13.473 8.716 1.00 67.41 ? 213 PRO H CA 1 ATOM 3543 C C . PRO A 1 237 ? 26.619 -12.840 7.882 1.00 72.22 ? 213 PRO H C 1 ATOM 3544 O O . PRO A 1 237 ? 26.898 -11.978 7.049 1.00 74.91 ? 213 PRO H O 1 ATOM 3545 C CB . PRO A 1 237 ? 28.187 -12.504 9.812 1.00 65.59 ? 213 PRO H CB 1 ATOM 3546 C CG . PRO A 1 237 ? 29.664 -12.676 9.890 1.00 59.66 ? 213 PRO H CG 1 ATOM 3547 C CD . PRO A 1 237 ? 30.106 -12.984 8.501 1.00 60.48 ? 213 PRO H CD 1 ATOM 3548 H HA . PRO A 1 237 ? 27.411 -14.308 9.119 1.00 80.89 ? 213 PRO H HA 1 ATOM 3549 H HB2 . PRO A 1 237 ? 27.960 -11.595 9.560 1.00 78.71 ? 213 PRO H HB2 1 ATOM 3550 H HB3 . PRO A 1 237 ? 27.769 -12.742 10.654 1.00 78.71 ? 213 PRO H HB3 1 ATOM 3551 H HG2 . PRO A 1 237 ? 30.072 -11.853 10.204 1.00 71.59 ? 213 PRO H HG2 1 ATOM 3552 H HG3 . PRO A 1 237 ? 29.875 -13.411 10.487 1.00 71.59 ? 213 PRO H HG3 1 ATOM 3553 H HD2 . PRO A 1 237 ? 30.274 -12.165 8.009 1.00 72.57 ? 213 PRO H HD2 1 ATOM 3554 H HD3 . PRO A 1 237 ? 30.886 -13.560 8.513 1.00 72.57 ? 213 PRO H HD3 1 ATOM 3555 N N . LYS A 1 238 ? 25.379 -13.265 8.105 1.00 73.31 ? 214 LYS H N 1 ATOM 3556 C CA . LYS A 1 238 ? 24.247 -12.726 7.358 1.00 79.73 ? 214 LYS H CA 1 ATOM 3557 C C . LYS A 1 238 ? 23.600 -11.560 8.101 1.00 85.27 ? 214 LYS H C 1 ATOM 3558 O O . LYS A 1 238 ? 23.765 -11.410 9.313 1.00 81.67 ? 214 LYS H O 1 ATOM 3559 C CB . LYS A 1 238 ? 23.212 -13.818 7.065 1.00 82.37 ? 214 LYS H CB 1 ATOM 3560 C CG . LYS A 1 238 ? 22.531 -14.409 8.291 1.00 88.02 ? 214 LYS H CG 1 ATOM 3561 C CD . LYS A 1 238 ? 21.395 -15.339 7.885 1.00 93.79 ? 214 LYS H CD 1 ATOM 3562 C CE . LYS A 1 238 ? 20.817 -16.090 9.075 1.00 97.59 ? 214 LYS H CE 1 ATOM 3563 N NZ . LYS A 1 238 ? 20.217 -15.180 10.090 1.00 102.98 ? 214 LYS H NZ 1 ATOM 3564 H H . LYS A 1 238 ? 25.166 -13.864 8.684 1.00 87.97 ? 214 LYS H H 1 ATOM 3565 H HA . LYS A 1 238 ? 24.573 -12.387 6.498 1.00 95.67 ? 214 LYS H HA 1 ATOM 3566 H HB2 . LYS A 1 238 ? 22.520 -13.443 6.499 1.00 98.84 ? 214 LYS H HB2 1 ATOM 3567 H HB3 . LYS A 1 238 ? 23.654 -14.545 6.598 1.00 98.84 ? 214 LYS H HB3 1 ATOM 3568 H HG2 . LYS A 1 238 ? 23.177 -14.920 8.804 1.00 105.63 ? 214 LYS H HG2 1 ATOM 3569 H HG3 . LYS A 1 238 ? 22.162 -13.692 8.831 1.00 105.63 ? 214 LYS H HG3 1 ATOM 3570 H HD2 . LYS A 1 238 ? 20.683 -14.816 7.483 1.00 112.55 ? 214 LYS H HD2 1 ATOM 3571 H HD3 . LYS A 1 238 ? 21.729 -15.991 7.250 1.00 112.55 ? 214 LYS H HD3 1 ATOM 3572 H HE2 . LYS A 1 238 ? 20.123 -16.691 8.764 1.00 117.11 ? 214 LYS H HE2 1 ATOM 3573 H HE3 . LYS A 1 238 ? 21.525 -16.594 9.506 1.00 117.11 ? 214 LYS H HE3 1 ATOM 3574 H HZ1 . LYS A 1 238 ? 20.836 -14.620 10.399 1.00 123.57 ? 214 LYS H HZ1 1 ATOM 3575 H HZ2 . LYS A 1 238 ? 19.557 -14.709 9.723 1.00 123.57 ? 214 LYS H HZ2 1 ATOM 3576 H HZ3 . LYS A 1 238 ? 19.891 -15.655 10.769 1.00 123.57 ? 214 LYS H HZ3 1 ATOM 3577 N N . SER A 1 239 ? 22.863 -10.738 7.360 1.00 96.30 ? 215 SER H N 1 ATOM 3578 C CA . SER A 1 239 ? 22.267 -9.522 7.905 1.00 110.32 ? 215 SER H CA 1 ATOM 3579 C C . SER A 1 239 ? 21.168 -9.820 8.922 1.00 112.61 ? 215 SER H C 1 ATOM 3580 O O . SER A 1 239 ? 21.396 -9.757 10.130 1.00 110.85 ? 215 SER H O 1 ATOM 3581 C CB . SER A 1 239 ? 21.705 -8.662 6.772 1.00 122.84 ? 215 SER H CB 1 ATOM 3582 O OG . SER A 1 239 ? 20.833 -9.413 5.945 1.00 127.84 ? 215 SER H OG 1 ATOM 3583 H H . SER A 1 239 ? 22.691 -10.864 6.526 1.00 115.56 ? 215 SER H H 1 ATOM 3584 H HA . SER A 1 239 ? 22.964 -9.005 8.359 1.00 132.38 ? 215 SER H HA 1 ATOM 3585 H HB2 . SER A 1 239 ? 21.213 -7.918 7.156 1.00 147.41 ? 215 SER H HB2 1 ATOM 3586 H HB3 . SER A 1 239 ? 22.441 -8.329 6.235 1.00 147.41 ? 215 SER H HB3 1 ATOM 3587 H HG . SER A 1 239 ? 20.540 -8.939 5.344 1.00 153.41 ? 215 SER H HG 1 ATOM 3588 N N . CYS A 1 240 ? 19.975 -10.134 8.426 1.00 116.96 ? 216 CYS H N 1 ATOM 3589 C CA . CYS A 1 240 ? 18.834 -10.410 9.291 1.00 119.50 ? 216 CYS H CA 1 ATOM 3590 C C . CYS A 1 240 ? 18.472 -11.890 9.251 1.00 111.62 ? 216 CYS H C 1 ATOM 3591 O O . CYS A 1 240 ? 18.258 -12.514 10.291 1.00 107.04 ? 216 CYS H O 1 ATOM 3592 C CB . CYS A 1 240 ? 17.629 -9.570 8.866 1.00 127.91 ? 216 CYS H CB 1 ATOM 3593 S SG . CYS A 1 240 ? 17.888 -7.784 8.979 1.00 152.81 ? 216 CYS H SG 1 ATOM 3594 H H . CYS A 1 240 ? 19.800 -10.194 7.586 1.00 140.35 ? 216 CYS H H 1 ATOM 3595 H HA . CYS A 1 240 ? 19.064 -10.174 10.214 1.00 143.40 ? 216 CYS H HA 1 ATOM 3596 H HB2 . CYS A 1 240 ? 17.415 -9.779 7.943 1.00 153.49 ? 216 CYS H HB2 1 ATOM 3597 H HB3 . CYS A 1 240 ? 16.877 -9.795 9.435 1.00 153.49 ? 216 CYS H HB3 1 ATOM 3598 H HG . CYS A 1 240 ? 16.889 -7.222 8.625 1.00 183.37 ? 216 CYS H HG 1 ATOM 3599 N N . GLN B 2 1 ? 10.435 -61.472 4.586 1.00 109.06 ? 1 GLN L N 1 ATOM 3600 C CA . GLN B 2 1 ? 11.515 -60.661 3.957 1.00 101.75 ? 1 GLN L CA 1 ATOM 3601 C C . GLN B 2 1 ? 11.846 -59.435 4.803 1.00 87.61 ? 1 GLN L C 1 ATOM 3602 O O . GLN B 2 1 ? 12.796 -58.707 4.513 1.00 80.16 ? 1 GLN L O 1 ATOM 3603 C CB . GLN B 2 1 ? 11.100 -60.236 2.548 1.00 106.80 ? 1 GLN L CB 1 ATOM 3604 C CG . GLN B 2 1 ? 12.232 -59.680 1.705 1.00 104.72 ? 1 GLN L CG 1 ATOM 3605 C CD . GLN B 2 1 ? 13.460 -60.578 1.682 1.00 98.07 ? 1 GLN L CD 1 ATOM 3606 O OE1 . GLN B 2 1 ? 14.587 -60.096 1.563 1.00 99.11 ? 1 GLN L OE1 1 ATOM 3607 N NE2 . GLN B 2 1 ? 13.250 -61.887 1.790 1.00 91.60 ? 1 GLN L NE2 1 ATOM 3608 H H1 . GLN B 2 1 ? 10.307 -62.280 4.084 1.00 130.87 ? 1 GLN L H1 1 ATOM 3609 H H2 . GLN B 2 1 ? 10.684 -61.691 5.487 1.00 130.87 ? 1 GLN L H2 1 ATOM 3610 H H3 . GLN B 2 1 ? 9.619 -60.966 4.593 1.00 130.87 ? 1 GLN L H3 1 ATOM 3611 H HA . GLN B 2 1 ? 12.325 -61.208 3.884 1.00 122.10 ? 1 GLN L HA 1 ATOM 3612 H HB2 . GLN B 2 1 ? 10.739 -61.008 2.085 1.00 128.16 ? 1 GLN L HB2 1 ATOM 3613 H HB3 . GLN B 2 1 ? 10.419 -59.549 2.619 1.00 128.16 ? 1 GLN L HB3 1 ATOM 3614 H HG2 . GLN B 2 1 ? 11.922 -59.575 0.792 1.00 125.67 ? 1 GLN L HG2 1 ATOM 3615 H HG3 . GLN B 2 1 ? 12.498 -58.819 2.065 1.00 125.67 ? 1 GLN L HG3 1 ATOM 3616 H HE21 . GLN B 2 1 ? 12.448 -62.188 1.868 1.00 109.92 ? 1 GLN L HE21 1 ATOM 3617 H HE22 . GLN B 2 1 ? 13.915 -62.431 1.782 1.00 109.92 ? 1 GLN L HE22 1 ATOM 3618 N N . SER B 2 2 ? 11.050 -59.203 5.842 1.00 81.30 ? 2 SER L N 1 ATOM 3619 C CA . SER B 2 2 ? 11.355 -58.166 6.817 1.00 70.84 ? 2 SER L CA 1 ATOM 3620 C C . SER B 2 2 ? 12.355 -58.697 7.840 1.00 54.78 ? 2 SER L C 1 ATOM 3621 O O . SER B 2 2 ? 12.148 -59.753 8.439 1.00 50.12 ? 2 SER L O 1 ATOM 3622 C CB . SER B 2 2 ? 10.080 -57.679 7.510 1.00 74.11 ? 2 SER L CB 1 ATOM 3623 O OG . SER B 2 2 ? 9.320 -58.754 8.038 1.00 74.78 ? 2 SER L OG 1 ATOM 3624 H H . SER B 2 2 ? 10.324 -59.636 6.004 1.00 97.56 ? 2 SER L H 1 ATOM 3625 H HA . SER B 2 2 ? 11.763 -57.403 6.358 1.00 85.00 ? 2 SER L HA 1 ATOM 3626 H HB2 . SER B 2 2 ? 10.326 -57.085 8.237 1.00 88.93 ? 2 SER L HB2 1 ATOM 3627 H HB3 . SER B 2 2 ? 9.537 -57.200 6.865 1.00 88.93 ? 2 SER L HB3 1 ATOM 3628 H HG . SER B 2 2 ? 9.695 -59.466 7.881 1.00 89.74 ? 2 SER L HG 1 ATOM 3629 N N . ALA B 2 3 ? 13.441 -57.953 8.028 1.00 45.45 ? 3 ALA L N 1 ATOM 3630 C CA . ALA B 2 3 ? 14.538 -58.373 8.894 1.00 39.46 ? 3 ALA L CA 1 ATOM 3631 C C . ALA B 2 3 ? 14.062 -58.769 10.289 1.00 41.10 ? 3 ALA L C 1 ATOM 3632 O O . ALA B 2 3 ? 12.961 -58.414 10.710 1.00 44.04 ? 3 ALA L O 1 ATOM 3633 C CB . ALA B 2 3 ? 15.571 -57.255 8.997 1.00 33.38 ? 3 ALA L CB 1 ATOM 3634 H H . ALA B 2 3 ? 13.568 -57.188 7.658 1.00 54.54 ? 3 ALA L H 1 ATOM 3635 H HA . ALA B 2 3 ? 14.977 -59.152 8.494 1.00 47.36 ? 3 ALA L HA 1 ATOM 3636 H HB1 . ALA B 2 3 ? 16.287 -57.543 9.569 1.00 40.05 ? 3 ALA L HB1 1 ATOM 3637 H HB2 . ALA B 2 3 ? 15.910 -57.062 8.120 1.00 40.05 ? 3 ALA L HB2 1 ATOM 3638 H HB3 . ALA B 2 3 ? 15.151 -56.475 9.365 1.00 40.05 ? 3 ALA L HB3 1 ATOM 3639 N N . LEU B 2 4 ? 14.903 -59.511 11.003 1.00 35.78 ? 4 LEU L N 1 ATOM 3640 C CA . LEU B 2 4 ? 14.650 -59.804 12.405 1.00 35.81 ? 4 LEU L CA 1 ATOM 3641 C C . LEU B 2 4 ? 14.798 -58.500 13.180 1.00 35.46 ? 4 LEU L C 1 ATOM 3642 O O . LEU B 2 4 ? 15.549 -57.614 12.772 1.00 34.90 ? 4 LEU L O 1 ATOM 3643 C CB . LEU B 2 4 ? 15.634 -60.852 12.929 1.00 33.14 ? 4 LEU L CB 1 ATOM 3644 C CG . LEU B 2 4 ? 15.721 -62.151 12.124 1.00 29.91 ? 4 LEU L CG 1 ATOM 3645 C CD1 . LEU B 2 4 ? 16.799 -63.069 12.687 1.00 27.06 ? 4 LEU L CD1 1 ATOM 3646 C CD2 . LEU B 2 4 ? 14.376 -62.853 12.106 1.00 26.54 ? 4 LEU L CD2 1 ATOM 3647 H H . LEU B 2 4 ? 15.628 -59.857 10.696 1.00 42.94 ? 4 LEU L H 1 ATOM 3648 H HA . LEU B 2 4 ? 13.737 -60.140 12.518 1.00 42.98 ? 4 LEU L HA 1 ATOM 3649 H HB2 . LEU B 2 4 ? 16.521 -60.460 12.941 1.00 39.77 ? 4 LEU L HB2 1 ATOM 3650 H HB3 . LEU B 2 4 ? 15.375 -61.089 13.833 1.00 39.77 ? 4 LEU L HB3 1 ATOM 3651 H HG . LEU B 2 4 ? 15.959 -61.938 11.208 1.00 35.90 ? 4 LEU L HG 1 ATOM 3652 H HD11 . LEU B 2 4 ? 16.829 -63.873 12.163 1.00 32.47 ? 4 LEU L HD11 1 ATOM 3653 H HD12 . LEU B 2 4 ? 17.645 -62.618 12.646 1.00 32.47 ? 4 LEU L HD12 1 ATOM 3654 H HD13 . LEU B 2 4 ? 16.584 -63.280 13.599 1.00 32.47 ? 4 LEU L HD13 1 ATOM 3655 H HD21 . LEU B 2 4 ? 14.453 -63.663 11.597 1.00 31.84 ? 4 LEU L HD21 1 ATOM 3656 H HD22 . LEU B 2 4 ? 14.118 -63.056 13.008 1.00 31.84 ? 4 LEU L HD22 1 ATOM 3657 H HD23 . LEU B 2 4 ? 13.726 -62.272 11.702 1.00 31.84 ? 4 LEU L HD23 1 ATOM 3658 N N . THR B 2 5 ? 14.080 -58.377 14.290 1.00 33.96 ? 5 THR L N 1 ATOM 3659 C CA . THR B 2 5 ? 14.077 -57.132 15.049 1.00 31.74 ? 5 THR L CA 1 ATOM 3660 C C . THR B 2 5 ? 15.095 -57.154 16.185 1.00 28.55 ? 5 THR L C 1 ATOM 3661 O O . THR B 2 5 ? 15.067 -58.037 17.041 1.00 30.22 ? 5 THR L O 1 ATOM 3662 C CB . THR B 2 5 ? 12.683 -56.834 15.627 1.00 33.68 ? 5 THR L CB 1 ATOM 3663 O OG1 . THR B 2 5 ? 11.742 -56.676 14.558 1.00 33.37 ? 5 THR L OG1 1 ATOM 3664 C CG2 . THR B 2 5 ? 12.711 -55.566 16.466 1.00 36.22 ? 5 THR L CG2 1 ATOM 3665 H H . THR B 2 5 ? 13.588 -58.997 14.625 1.00 40.75 ? 5 THR L H 1 ATOM 3666 H HA . THR B 2 5 ? 14.315 -56.396 14.447 1.00 38.09 ? 5 THR L HA 1 ATOM 3667 H HB . THR B 2 5 ? 12.405 -57.570 16.194 1.00 40.42 ? 5 THR L HB 1 ATOM 3668 H HG1 . THR B 2 5 ? 10.997 -56.516 14.861 1.00 40.05 ? 5 THR L HG1 1 ATOM 3669 H HG21 . THR B 2 5 ? 11.837 -55.389 16.821 1.00 43.46 ? 5 THR L HG21 1 ATOM 3670 H HG22 . THR B 2 5 ? 13.329 -55.668 17.193 1.00 43.46 ? 5 THR L HG22 1 ATOM 3671 H HG23 . THR B 2 5 ? 12.985 -54.821 15.925 1.00 43.46 ? 5 THR L HG23 1 ATOM 3672 N N . GLN B 2 6 ? 15.993 -56.174 16.176 1.00 25.27 ? 6 GLN L N 1 ATOM 3673 C CA . GLN B 2 6 ? 16.976 -56.002 17.238 1.00 22.70 ? 6 GLN L CA 1 ATOM 3674 C C . GLN B 2 6 ? 16.921 -54.563 17.737 1.00 23.88 ? 6 GLN L C 1 ATOM 3675 O O . GLN B 2 6 ? 16.429 -53.680 17.036 1.00 29.24 ? 6 GLN L O 1 ATOM 3676 C CB . GLN B 2 6 ? 18.386 -56.286 16.722 1.00 23.32 ? 6 GLN L CB 1 ATOM 3677 C CG . GLN B 2 6 ? 18.568 -57.626 16.040 1.00 26.55 ? 6 GLN L CG 1 ATOM 3678 C CD . GLN B 2 6 ? 19.974 -57.800 15.481 1.00 30.73 ? 6 GLN L CD 1 ATOM 3679 O OE1 . GLN B 2 6 ? 20.154 -58.253 14.351 1.00 34.19 ? 6 GLN L OE1 1 ATOM 3680 N NE2 . GLN B 2 6 ? 20.978 -57.437 16.274 1.00 28.44 ? 6 GLN L NE2 1 ATOM 3681 H H . GLN B 2 6 ? 16.053 -55.584 15.553 1.00 30.32 ? 6 GLN L H 1 ATOM 3682 H HA . GLN B 2 6 ? 16.778 -56.608 17.983 1.00 27.24 ? 6 GLN L HA 1 ATOM 3683 H HB2 . GLN B 2 6 ? 18.623 -55.597 16.081 1.00 27.99 ? 6 GLN L HB2 1 ATOM 3684 H HB3 . GLN B 2 6 ? 19.000 -56.255 17.472 1.00 27.99 ? 6 GLN L HB3 1 ATOM 3685 H HG2 . GLN B 2 6 ? 18.409 -58.334 16.683 1.00 31.86 ? 6 GLN L HG2 1 ATOM 3686 H HG3 . GLN B 2 6 ? 17.940 -57.695 15.304 1.00 31.86 ? 6 GLN L HG3 1 ATOM 3687 H HE21 . GLN B 2 6 ? 20.815 -57.123 17.058 1.00 34.13 ? 6 GLN L HE21 1 ATOM 3688 H HE22 . GLN B 2 6 ? 21.790 -57.517 16.003 1.00 34.13 ? 6 GLN L HE22 1 ATOM 3689 N N . PRO B 2 7 ? 17.433 -54.315 18.951 1.00 24.89 ? 7 PRO L N 1 ATOM 3690 C CA . PRO B 2 7 ? 17.527 -52.926 19.405 1.00 27.97 ? 7 PRO L CA 1 ATOM 3691 C C . PRO B 2 7 ? 18.575 -52.178 18.595 1.00 32.20 ? 7 PRO L C 1 ATOM 3692 O O . PRO B 2 7 ? 19.631 -52.736 18.301 1.00 32.84 ? 7 PRO L O 1 ATOM 3693 C CB . PRO B 2 7 ? 17.970 -53.064 20.861 1.00 23.81 ? 7 PRO L CB 1 ATOM 3694 C CG . PRO B 2 7 ? 18.686 -54.361 20.914 1.00 21.61 ? 7 PRO L CG 1 ATOM 3695 C CD . PRO B 2 7 ? 17.977 -55.258 19.942 1.00 21.34 ? 7 PRO L CD 1 ATOM 3696 H HA . PRO B 2 7 ? 16.660 -52.472 19.352 1.00 33.56 ? 7 PRO L HA 1 ATOM 3697 H HB2 . PRO B 2 7 ? 18.564 -52.333 21.094 1.00 28.58 ? 7 PRO L HB2 1 ATOM 3698 H HB3 . PRO B 2 7 ? 17.192 -53.075 21.442 1.00 28.58 ? 7 PRO L HB3 1 ATOM 3699 H HG2 . PRO B 2 7 ? 19.610 -54.233 20.648 1.00 25.94 ? 7 PRO L HG2 1 ATOM 3700 H HG3 . PRO B 2 7 ? 18.636 -54.724 21.812 1.00 25.94 ? 7 PRO L HG3 1 ATOM 3701 H HD2 . PRO B 2 7 ? 18.605 -55.867 19.523 1.00 25.60 ? 7 PRO L HD2 1 ATOM 3702 H HD3 . PRO B 2 7 ? 17.259 -55.737 20.385 1.00 25.60 ? 7 PRO L HD3 1 ATOM 3703 N N . ALA B 2 8 ? 18.288 -50.932 18.238 1.00 31.60 ? 8 ALA L N 1 ATOM 3704 C CA . ALA B 2 8 ? 19.180 -50.168 17.379 1.00 27.65 ? 8 ALA L CA 1 ATOM 3705 C C . ALA B 2 8 ? 20.548 -49.975 18.022 1.00 27.34 ? 8 ALA L C 1 ATOM 3706 O O . ALA B 2 8 ? 21.571 -49.990 17.338 1.00 30.05 ? 8 ALA L O 1 ATOM 3707 C CB . ALA B 2 8 ? 18.565 -48.821 17.051 1.00 26.56 ? 8 ALA L CB 1 ATOM 3708 H H . ALA B 2 8 ? 17.581 -50.506 18.480 1.00 37.92 ? 8 ALA L H 1 ATOM 3709 H HA . ALA B 2 8 ? 19.307 -50.655 16.538 1.00 33.18 ? 8 ALA L HA 1 ATOM 3710 H HB1 . ALA B 2 8 ? 19.166 -48.332 16.485 1.00 31.87 ? 8 ALA L HB1 1 ATOM 3711 H HB2 . ALA B 2 8 ? 17.730 -48.961 16.599 1.00 31.87 ? 8 ALA L HB2 1 ATOM 3712 H HB3 . ALA B 2 8 ? 18.418 -48.338 17.868 1.00 31.87 ? 8 ALA L HB3 1 ATOM 3713 N N . SER B 2 9 ? 20.562 -49.805 19.339 1.00 30.60 ? 9 SER L N 1 ATOM 3714 C CA . SER B 2 9 ? 21.773 -49.392 20.037 1.00 36.17 ? 9 SER L CA 1 ATOM 3715 C C . SER B 2 9 ? 21.767 -49.819 21.502 1.00 33.50 ? 9 SER L C 1 ATOM 3716 O O . SER B 2 9 ? 20.746 -49.728 22.183 1.00 36.79 ? 9 SER L O 1 ATOM 3717 C CB . SER B 2 9 ? 21.921 -47.868 19.947 1.00 44.48 ? 9 SER L CB 1 ATOM 3718 O OG . SER B 2 9 ? 23.117 -47.415 20.559 1.00 51.80 ? 9 SER L OG 1 ATOM 3719 H H . SER B 2 9 ? 19.882 -49.923 19.853 1.00 36.72 ? 9 SER L H 1 ATOM 3720 H HA . SER B 2 9 ? 22.551 -49.801 19.603 1.00 43.40 ? 9 SER L HA 1 ATOM 3721 H HB2 . SER B 2 9 ? 21.932 -47.610 19.012 1.00 53.38 ? 9 SER L HB2 1 ATOM 3722 H HB3 . SER B 2 9 ? 21.166 -47.454 20.393 1.00 53.38 ? 9 SER L HB3 1 ATOM 3723 H HG . SER B 2 9 ? 23.535 -48.052 20.863 1.00 62.15 ? 9 SER L HG 1 ATOM 3724 N N . VAL B 2 10 ? 22.917 -50.292 21.970 1.00 30.48 ? 11 VAL L N 1 ATOM 3725 C CA . VAL B 2 10 ? 23.133 -50.559 23.388 1.00 32.16 ? 11 VAL L CA 1 ATOM 3726 C C . VAL B 2 10 ? 24.571 -50.205 23.747 1.00 32.97 ? 11 VAL L C 1 ATOM 3727 O O . VAL B 2 10 ? 25.422 -50.067 22.867 1.00 31.65 ? 11 VAL L O 1 ATOM 3728 C CB . VAL B 2 10 ? 22.872 -52.034 23.750 1.00 26.90 ? 11 VAL L CB 1 ATOM 3729 C CG1 . VAL B 2 10 ? 21.453 -52.424 23.380 1.00 26.69 ? 11 VAL L CG1 1 ATOM 3730 C CG2 . VAL B 2 10 ? 23.877 -52.945 23.062 1.00 22.07 ? 11 VAL L CG2 1 ATOM 3731 H H . VAL B 2 10 ? 23.599 -50.471 21.478 1.00 36.58 ? 11 VAL L H 1 ATOM 3732 H HA . VAL B 2 10 ? 22.532 -49.997 23.921 1.00 38.59 ? 11 VAL L HA 1 ATOM 3733 H HB . VAL B 2 10 ? 22.974 -52.147 24.718 1.00 32.28 ? 11 VAL L HB 1 ATOM 3734 H HG11 . VAL B 2 10 ? 21.311 -53.345 23.613 1.00 32.02 ? 11 VAL L HG11 1 ATOM 3735 H HG12 . VAL B 2 10 ? 20.839 -51.866 23.863 1.00 32.02 ? 11 VAL L HG12 1 ATOM 3736 H HG13 . VAL B 2 10 ? 21.332 -52.303 22.435 1.00 32.02 ? 11 VAL L HG13 1 ATOM 3737 H HG21 . VAL B 2 10 ? 23.691 -53.855 23.305 1.00 26.49 ? 11 VAL L HG21 1 ATOM 3738 H HG22 . VAL B 2 10 ? 23.798 -52.837 22.111 1.00 26.49 ? 11 VAL L HG22 1 ATOM 3739 H HG23 . VAL B 2 10 ? 24.762 -52.705 23.346 1.00 26.49 ? 11 VAL L HG23 1 ATOM 3740 N N . SER B 2 11 ? 24.843 -50.054 25.038 1.00 29.70 ? 12 SER L N 1 ATOM 3741 C CA . SER B 2 11 ? 26.188 -49.723 25.491 1.00 26.98 ? 12 SER L CA 1 ATOM 3742 C C . SER B 2 11 ? 26.387 -50.093 26.954 1.00 27.53 ? 12 SER L C 1 ATOM 3743 O O . SER B 2 11 ? 25.424 -50.209 27.715 1.00 24.67 ? 12 SER L O 1 ATOM 3744 C CB . SER B 2 11 ? 26.465 -48.232 25.293 1.00 30.67 ? 12 SER L CB 1 ATOM 3745 O OG . SER B 2 11 ? 25.613 -47.443 26.105 1.00 33.46 ? 12 SER L OG 1 ATOM 3746 H H . SER B 2 11 ? 24.267 -50.138 25.671 1.00 35.64 ? 12 SER L H 1 ATOM 3747 H HA . SER B 2 11 ? 26.838 -50.227 24.959 1.00 32.37 ? 12 SER L HA 1 ATOM 3748 H HB2 . SER B 2 11 ? 27.387 -48.049 25.533 1.00 36.80 ? 12 SER L HB2 1 ATOM 3749 H HB3 . SER B 2 11 ? 26.313 -48.004 24.363 1.00 36.80 ? 12 SER L HB3 1 ATOM 3750 H HG . SER B 2 11 ? 25.773 -46.647 25.988 1.00 40.16 ? 12 SER L HG 1 ATOM 3751 N N . GLY B 2 12 ? 27.646 -50.272 27.341 1.00 29.46 ? 13 GLY L N 1 ATOM 3752 C CA . GLY B 2 12 ? 27.991 -50.589 28.715 1.00 30.60 ? 13 GLY L CA 1 ATOM 3753 C C . GLY B 2 12 ? 29.463 -50.344 28.983 1.00 31.08 ? 13 GLY L C 1 ATOM 3754 O O . GLY B 2 12 ? 30.266 -50.260 28.051 1.00 30.88 ? 13 GLY L O 1 ATOM 3755 H H . GLY B 2 12 ? 28.325 -50.214 26.817 1.00 35.35 ? 13 GLY L H 1 ATOM 3756 H HA2 . GLY B 2 12 ? 27.469 -50.037 29.318 1.00 36.72 ? 13 GLY L HA2 1 ATOM 3757 H HA3 . GLY B 2 12 ? 27.792 -51.521 28.895 1.00 36.72 ? 13 GLY L HA3 1 ATOM 3758 N N . SER B 2 13 ? 29.817 -50.229 30.259 1.00 28.77 ? 14 SER L N 1 ATOM 3759 C CA . SER B 2 13 ? 31.199 -50.000 30.657 1.00 29.70 ? 14 SER L CA 1 ATOM 3760 C C . SER B 2 13 ? 32.021 -51.265 30.436 1.00 28.29 ? 14 SER L C 1 ATOM 3761 O O . SER B 2 13 ? 31.465 -52.358 30.343 1.00 25.78 ? 14 SER L O 1 ATOM 3762 C CB . SER B 2 13 ? 31.264 -49.597 32.132 1.00 38.76 ? 14 SER L CB 1 ATOM 3763 O OG . SER B 2 13 ? 30.452 -48.467 32.394 1.00 51.53 ? 14 SER L OG 1 ATOM 3764 H H . SER B 2 13 ? 29.268 -50.280 30.919 1.00 34.53 ? 14 SER L H 1 ATOM 3765 H HA . SER B 2 13 ? 31.583 -49.278 30.117 1.00 35.64 ? 14 SER L HA 1 ATOM 3766 H HB2 . SER B 2 13 ? 30.953 -50.339 32.674 1.00 46.51 ? 14 SER L HB2 1 ATOM 3767 H HB3 . SER B 2 13 ? 32.182 -49.384 32.359 1.00 46.51 ? 14 SER L HB3 1 ATOM 3768 H HG . SER B 2 13 ? 30.499 -48.266 33.188 1.00 61.84 ? 14 SER L HG 1 ATOM 3769 N N . PRO B 2 14 ? 33.352 -51.123 30.347 1.00 30.07 ? 15 PRO L N 1 ATOM 3770 C CA . PRO B 2 14 ? 34.215 -52.307 30.281 1.00 32.98 ? 15 PRO L CA 1 ATOM 3771 C C . PRO B 2 14 ? 33.999 -53.183 31.509 1.00 38.17 ? 15 PRO L C 1 ATOM 3772 O O . PRO B 2 14 ? 34.010 -52.671 32.627 1.00 39.00 ? 15 PRO L O 1 ATOM 3773 C CB . PRO B 2 14 ? 35.629 -51.716 30.283 1.00 31.14 ? 15 PRO L CB 1 ATOM 3774 C CG . PRO B 2 14 ? 35.463 -50.310 29.814 1.00 28.35 ? 15 PRO L CG 1 ATOM 3775 C CD . PRO B 2 14 ? 34.126 -49.871 30.317 1.00 29.11 ? 15 PRO L CD 1 ATOM 3776 H HA . PRO B 2 14 ? 34.059 -52.819 29.460 1.00 39.58 ? 15 PRO L HA 1 ATOM 3777 H HB2 . PRO B 2 14 ? 35.991 -51.737 31.183 1.00 37.37 ? 15 PRO L HB2 1 ATOM 3778 H HB3 . PRO B 2 14 ? 36.194 -52.216 29.674 1.00 37.37 ? 15 PRO L HB3 1 ATOM 3779 H HG2 . PRO B 2 14 ? 36.167 -49.757 30.188 1.00 34.02 ? 15 PRO L HG2 1 ATOM 3780 H HG3 . PRO B 2 14 ? 35.488 -50.285 28.845 1.00 34.02 ? 15 PRO L HG3 1 ATOM 3781 H HD2 . PRO B 2 14 ? 34.205 -49.500 31.210 1.00 34.94 ? 15 PRO L HD2 1 ATOM 3782 H HD3 . PRO B 2 14 ? 33.723 -49.238 29.702 1.00 34.94 ? 15 PRO L HD3 1 ATOM 3783 N N . GLY B 2 15 ? 33.785 -54.479 31.304 1.00 38.66 ? 16 GLY L N 1 ATOM 3784 C CA . GLY B 2 15 ? 33.533 -55.387 32.408 1.00 35.78 ? 16 GLY L CA 1 ATOM 3785 C C . GLY B 2 15 ? 32.053 -55.554 32.707 1.00 33.55 ? 16 GLY L C 1 ATOM 3786 O O . GLY B 2 15 ? 31.669 -56.392 33.522 1.00 38.26 ? 16 GLY L O 1 ATOM 3787 H H . GLY B 2 15 ? 33.782 -54.856 30.530 1.00 46.39 ? 16 GLY L H 1 ATOM 3788 H HA2 . GLY B 2 15 ? 33.903 -56.259 32.199 1.00 42.94 ? 16 GLY L HA2 1 ATOM 3789 H HA3 . GLY B 2 15 ? 33.970 -55.052 33.207 1.00 42.94 ? 16 GLY L HA3 1 ATOM 3790 N N . GLN B 2 16 ? 31.218 -54.758 32.048 1.00 29.26 ? 17 GLN L N 1 ATOM 3791 C CA . GLN B 2 16 ? 29.777 -54.836 32.253 1.00 28.95 ? 17 GLN L CA 1 ATOM 3792 C C . GLN B 2 16 ? 29.168 -55.953 31.417 1.00 33.01 ? 17 GLN L C 1 ATOM 3793 O O . GLN B 2 16 ? 29.694 -56.319 30.367 1.00 36.92 ? 17 GLN L O 1 ATOM 3794 C CB . GLN B 2 16 ? 29.111 -53.506 31.894 1.00 27.20 ? 17 GLN L CB 1 ATOM 3795 C CG . GLN B 2 16 ? 27.599 -53.493 32.106 1.00 28.07 ? 17 GLN L CG 1 ATOM 3796 C CD . GLN B 2 16 ? 26.969 -52.145 31.804 1.00 31.85 ? 17 GLN L CD 1 ATOM 3797 O OE1 . GLN B 2 16 ? 27.645 -51.116 31.804 1.00 32.75 ? 17 GLN L OE1 1 ATOM 3798 N NE2 . GLN B 2 16 ? 25.664 -52.146 31.549 1.00 32.77 ? 17 GLN L NE2 1 ATOM 3799 H H . GLN B 2 16 ? 31.461 -54.164 31.476 1.00 35.11 ? 17 GLN L H 1 ATOM 3800 H HA . GLN B 2 16 ? 29.596 -55.025 33.197 1.00 34.74 ? 17 GLN L HA 1 ATOM 3801 H HB2 . GLN B 2 16 ? 29.493 -52.806 32.447 1.00 32.64 ? 17 GLN L HB2 1 ATOM 3802 H HB3 . GLN B 2 16 ? 29.280 -53.314 30.958 1.00 32.64 ? 17 GLN L HB3 1 ATOM 3803 H HG2 . GLN B 2 16 ? 27.193 -54.151 31.521 1.00 33.68 ? 17 GLN L HG2 1 ATOM 3804 H HG3 . GLN B 2 16 ? 27.409 -53.711 33.032 1.00 33.68 ? 17 GLN L HG3 1 ATOM 3805 H HE21 . GLN B 2 16 ? 25.223 -52.884 31.561 1.00 39.32 ? 17 GLN L HE21 1 ATOM 3806 H HE22 . GLN B 2 16 ? 25.260 -51.407 31.371 1.00 39.32 ? 17 GLN L HE22 1 ATOM 3807 N N . THR B 2 17 ? 28.056 -56.495 31.898 1.00 30.57 ? 18 THR L N 1 ATOM 3808 C CA . THR B 2 17 ? 27.298 -57.481 31.147 1.00 26.71 ? 18 THR L CA 1 ATOM 3809 C C . THR B 2 17 ? 26.194 -56.778 30.366 1.00 25.36 ? 18 THR L C 1 ATOM 3810 O O . THR B 2 17 ? 25.532 -55.883 30.890 1.00 27.74 ? 18 THR L O 1 ATOM 3811 C CB . THR B 2 17 ? 26.673 -58.534 32.084 1.00 28.19 ? 18 THR L CB 1 ATOM 3812 O OG1 . THR B 2 17 ? 27.709 -59.329 32.675 1.00 30.72 ? 18 THR L OG1 1 ATOM 3813 C CG2 . THR B 2 17 ? 25.721 -59.446 31.320 1.00 26.76 ? 18 THR L CG2 1 ATOM 3814 H H . THR B 2 17 ? 27.717 -56.304 32.665 1.00 36.69 ? 18 THR L H 1 ATOM 3815 H HA . THR B 2 17 ? 27.889 -57.938 30.513 1.00 32.05 ? 18 THR L HA 1 ATOM 3816 H HB . THR B 2 17 ? 26.172 -58.087 32.784 1.00 33.83 ? 18 THR L HB 1 ATOM 3817 H HG1 . THR B 2 17 ? 27.382 -59.891 33.174 1.00 36.87 ? 18 THR L HG1 1 ATOM 3818 H HG21 . THR B 2 17 ? 25.341 -60.096 31.915 1.00 32.11 ? 18 THR L HG21 1 ATOM 3819 H HG22 . THR B 2 17 ? 25.014 -58.928 30.929 1.00 32.11 ? 18 THR L HG22 1 ATOM 3820 H HG23 . THR B 2 17 ? 26.196 -59.903 30.621 1.00 32.11 ? 18 THR L HG23 1 ATOM 3821 N N . ILE B 2 18 ? 26.013 -57.170 29.108 1.00 25.44 ? 19 ILE L N 1 ATOM 3822 C CA . ILE B 2 18 ? 24.928 -56.636 28.291 1.00 26.83 ? 19 ILE L CA 1 ATOM 3823 C C . ILE B 2 18 ? 24.302 -57.739 27.449 1.00 26.68 ? 19 ILE L C 1 ATOM 3824 O O . ILE B 2 18 ? 24.923 -58.772 27.204 1.00 26.44 ? 19 ILE L O 1 ATOM 3825 C CB . ILE B 2 18 ? 25.407 -55.508 27.358 1.00 28.58 ? 19 ILE L CB 1 ATOM 3826 C CG1 . ILE B 2 18 ? 26.377 -56.051 26.306 1.00 33.45 ? 19 ILE L CG1 1 ATOM 3827 C CG2 . ILE B 2 18 ? 26.062 -54.402 28.165 1.00 27.76 ? 19 ILE L CG2 1 ATOM 3828 C CD1 . ILE B 2 18 ? 26.661 -55.073 25.191 1.00 35.55 ? 19 ILE L CD1 1 ATOM 3829 H H . ILE B 2 18 ? 26.506 -57.746 28.703 1.00 30.53 ? 19 ILE L H 1 ATOM 3830 H HA . ILE B 2 18 ? 24.234 -56.270 28.878 1.00 32.20 ? 19 ILE L HA 1 ATOM 3831 H HB . ILE B 2 18 ? 24.635 -55.139 26.901 1.00 34.29 ? 19 ILE L HB 1 ATOM 3832 H HG12 . ILE B 2 18 ? 27.219 -56.265 26.737 1.00 40.15 ? 19 ILE L HG12 1 ATOM 3833 H HG13 . ILE B 2 18 ? 25.996 -56.851 25.911 1.00 40.15 ? 19 ILE L HG13 1 ATOM 3834 H HG21 . ILE B 2 18 ? 26.354 -53.709 27.567 1.00 33.31 ? 19 ILE L HG21 1 ATOM 3835 H HG22 . ILE B 2 18 ? 25.422 -54.049 28.788 1.00 33.31 ? 19 ILE L HG22 1 ATOM 3836 H HG23 . ILE B 2 18 ? 26.815 -54.764 28.638 1.00 33.31 ? 19 ILE L HG23 1 ATOM 3837 H HD11 . ILE B 2 18 ? 27.273 -55.476 24.571 1.00 42.67 ? 19 ILE L HD11 1 ATOM 3838 H HD12 . ILE B 2 18 ? 25.837 -54.859 24.746 1.00 42.67 ? 19 ILE L HD12 1 ATOM 3839 H HD13 . ILE B 2 18 ? 27.049 -54.278 25.564 1.00 42.67 ? 19 ILE L HD13 1 ATOM 3840 N N . THR B 2 19 ? 23.071 -57.508 27.005 1.00 27.22 ? 20 THR L N 1 ATOM 3841 C CA . THR B 2 19 ? 22.340 -58.499 26.228 1.00 27.32 ? 20 THR L CA 1 ATOM 3842 C C . THR B 2 19 ? 21.647 -57.854 25.033 1.00 29.48 ? 20 THR L C 1 ATOM 3843 O O . THR B 2 19 ? 21.161 -56.726 25.114 1.00 29.47 ? 20 THR L O 1 ATOM 3844 C CB . THR B 2 19 ? 21.291 -59.222 27.098 1.00 30.73 ? 20 THR L CB 1 ATOM 3845 O OG1 . THR B 2 19 ? 21.943 -59.874 28.194 1.00 28.83 ? 20 THR L OG1 1 ATOM 3846 C CG2 . THR B 2 19 ? 20.522 -60.256 26.280 1.00 32.64 ? 20 THR L CG2 1 ATOM 3847 H H . THR B 2 19 ? 22.635 -56.780 27.142 1.00 32.67 ? 20 THR L H 1 ATOM 3848 H HA . THR B 2 19 ? 22.970 -59.170 25.890 1.00 32.78 ? 20 THR L HA 1 ATOM 3849 H HB . THR B 2 19 ? 20.657 -58.573 27.442 1.00 36.87 ? 20 THR L HB 1 ATOM 3850 H HG1 . THR B 2 19 ? 22.483 -60.423 27.913 1.00 34.59 ? 20 THR L HG1 1 ATOM 3851 H HG21 . THR B 2 19 ? 19.874 -60.696 26.835 1.00 39.17 ? 20 THR L HG21 1 ATOM 3852 H HG22 . THR B 2 19 ? 20.069 -59.826 25.551 1.00 39.17 ? 20 THR L HG22 1 ATOM 3853 H HG23 . THR B 2 19 ? 21.128 -60.912 25.928 1.00 39.17 ? 20 THR L HG23 1 ATOM 3854 N N . ILE B 2 20 ? 21.616 -58.578 23.920 1.00 33.77 ? 21 ILE L N 1 ATOM 3855 C CA . ILE B 2 20 ? 20.928 -58.122 22.721 1.00 35.84 ? 21 ILE L CA 1 ATOM 3856 C C . ILE B 2 20 ? 19.890 -59.163 22.332 1.00 34.95 ? 21 ILE L C 1 ATOM 3857 O O . ILE B 2 20 ? 20.196 -60.353 22.275 1.00 34.02 ? 21 ILE L O 1 ATOM 3858 C CB . ILE B 2 20 ? 21.904 -57.940 21.548 1.00 38.48 ? 21 ILE L CB 1 ATOM 3859 C CG1 . ILE B 2 20 ? 23.135 -57.153 21.999 1.00 40.35 ? 21 ILE L CG1 1 ATOM 3860 C CG2 . ILE B 2 20 ? 21.209 -57.243 20.387 1.00 40.44 ? 21 ILE L CG2 1 ATOM 3861 C CD1 . ILE B 2 20 ? 24.227 -57.082 20.957 1.00 42.04 ? 21 ILE L CD1 1 ATOM 3862 H H . ILE B 2 20 ? 21.992 -59.347 23.834 1.00 40.52 ? 21 ILE L H 1 ATOM 3863 H HA . ILE B 2 20 ? 20.476 -57.270 22.896 1.00 43.00 ? 21 ILE L HA 1 ATOM 3864 H HB . ILE B 2 20 ? 22.193 -58.817 21.251 1.00 46.18 ? 21 ILE L HB 1 ATOM 3865 H HG12 . ILE B 2 20 ? 22.866 -56.245 22.209 1.00 48.43 ? 21 ILE L HG12 1 ATOM 3866 H HG13 . ILE B 2 20 ? 23.505 -57.577 22.789 1.00 48.43 ? 21 ILE L HG13 1 ATOM 3867 H HG21 . ILE B 2 20 ? 21.835 -57.139 19.666 1.00 48.52 ? 21 ILE L HG21 1 ATOM 3868 H HG22 . ILE B 2 20 ? 20.465 -57.779 20.101 1.00 48.52 ? 21 ILE L HG22 1 ATOM 3869 H HG23 . ILE B 2 20 ? 20.900 -56.383 20.679 1.00 48.52 ? 21 ILE L HG23 1 ATOM 3870 H HD11 . ILE B 2 20 ? 24.962 -56.575 21.310 1.00 50.45 ? 21 ILE L HD11 1 ATOM 3871 H HD12 . ILE B 2 20 ? 24.515 -57.972 20.745 1.00 50.45 ? 21 ILE L HD12 1 ATOM 3872 H HD13 . ILE B 2 20 ? 23.881 -56.653 20.171 1.00 50.45 ? 21 ILE L HD13 1 ATOM 3873 N N . SER B 2 21 ? 18.665 -58.719 22.073 1.00 33.40 ? 22 SER L N 1 ATOM 3874 C CA . SER B 2 21 ? 17.589 -59.638 21.717 1.00 35.98 ? 22 SER L CA 1 ATOM 3875 C C . SER B 2 21 ? 17.344 -59.651 20.211 1.00 38.90 ? 22 SER L C 1 ATOM 3876 O O . SER B 2 21 ? 17.692 -58.706 19.501 1.00 40.22 ? 22 SER L O 1 ATOM 3877 C CB . SER B 2 21 ? 16.301 -59.275 22.458 1.00 39.10 ? 22 SER L CB 1 ATOM 3878 O OG . SER B 2 21 ? 15.866 -57.967 22.129 1.00 44.62 ? 22 SER L OG 1 ATOM 3879 H H . SER B 2 21 ? 18.430 -57.892 22.097 1.00 40.08 ? 22 SER L H 1 ATOM 3880 H HA . SER B 2 21 ? 17.846 -60.544 21.987 1.00 43.17 ? 22 SER L HA 1 ATOM 3881 H HB2 . SER B 2 21 ? 15.608 -59.908 22.211 1.00 46.92 ? 22 SER L HB2 1 ATOM 3882 H HB3 . SER B 2 21 ? 16.464 -59.321 23.413 1.00 46.92 ? 22 SER L HB3 1 ATOM 3883 H HG . SER B 2 21 ? 15.176 -57.791 22.535 1.00 53.55 ? 22 SER L HG 1 ATOM 3884 N N . CYS B 2 22 ? 16.735 -60.732 19.735 1.00 38.13 ? 23 CYS L N 1 ATOM 3885 C CA . CYS B 2 22 ? 16.496 -60.924 18.310 1.00 33.59 ? 23 CYS L CA 1 ATOM 3886 C C . CYS B 2 22 ? 15.103 -61.507 18.094 1.00 32.78 ? 23 CYS L C 1 ATOM 3887 O O . CYS B 2 22 ? 14.902 -62.715 18.191 1.00 33.54 ? 23 CYS L O 1 ATOM 3888 C CB . CYS B 2 22 ? 17.560 -61.851 17.717 1.00 31.92 ? 23 CYS L CB 1 ATOM 3889 S SG . CYS B 2 22 ? 17.374 -62.187 15.954 1.00 47.08 ? 23 CYS L SG 1 ATOM 3890 H H . CYS B 2 22 ? 16.448 -61.378 20.225 1.00 45.76 ? 23 CYS L H 1 ATOM 3891 H HA . CYS B 2 22 ? 16.546 -60.060 17.851 1.00 40.31 ? 23 CYS L HA 1 ATOM 3892 H HB2 . CYS B 2 22 ? 18.431 -61.444 17.847 1.00 38.30 ? 23 CYS L HB2 1 ATOM 3893 H HB3 . CYS B 2 22 ? 17.524 -62.701 18.183 1.00 38.30 ? 23 CYS L HB3 1 ATOM 3894 N N . GLN B 2 23 ? 14.144 -60.635 17.801 1.00 31.99 ? 24 GLN L N 1 ATOM 3895 C CA . GLN B 2 23 ? 12.745 -61.035 17.670 1.00 34.66 ? 24 GLN L CA 1 ATOM 3896 C C . GLN B 2 23 ? 12.438 -61.558 16.269 1.00 33.66 ? 24 GLN L C 1 ATOM 3897 O O . GLN B 2 23 ? 12.753 -60.911 15.270 1.00 32.57 ? 24 GLN L O 1 ATOM 3898 C CB . GLN B 2 23 ? 11.837 -59.850 18.014 1.00 43.50 ? 24 GLN L CB 1 ATOM 3899 C CG . GLN B 2 23 ? 10.394 -59.962 17.532 1.00 58.32 ? 24 GLN L CG 1 ATOM 3900 C CD . GLN B 2 23 ? 9.525 -60.787 18.457 1.00 75.39 ? 24 GLN L CD 1 ATOM 3901 O OE1 . GLN B 2 23 ? 9.688 -62.003 18.562 1.00 86.86 ? 24 GLN L OE1 1 ATOM 3902 N NE2 . GLN B 2 23 ? 8.590 -60.127 19.134 1.00 77.33 ? 24 GLN L NE2 1 ATOM 3903 H H . GLN B 2 23 ? 14.279 -59.796 17.671 1.00 38.39 ? 24 GLN L H 1 ATOM 3904 H HA . GLN B 2 23 ? 12.559 -61.755 18.309 1.00 41.59 ? 24 GLN L HA 1 ATOM 3905 H HB2 . GLN B 2 23 ? 11.813 -59.753 18.979 1.00 52.20 ? 24 GLN L HB2 1 ATOM 3906 H HB3 . GLN B 2 23 ? 12.214 -59.050 17.618 1.00 52.20 ? 24 GLN L HB3 1 ATOM 3907 H HG2 . GLN B 2 23 ? 10.010 -59.073 17.474 1.00 69.98 ? 24 GLN L HG2 1 ATOM 3908 H HG3 . GLN B 2 23 ? 10.385 -60.384 16.658 1.00 69.98 ? 24 GLN L HG3 1 ATOM 3909 H HE21 . GLN B 2 23 ? 8.506 -59.277 19.034 1.00 92.79 ? 24 GLN L HE21 1 ATOM 3910 H HE22 . GLN B 2 23 ? 8.071 -60.550 19.673 1.00 92.79 ? 24 GLN L HE22 1 ATOM 3911 N N . GLY B 2 24 ? 11.814 -62.732 16.208 1.00 31.81 ? 25 GLY L N 1 ATOM 3912 C CA . GLY B 2 24 ? 11.487 -63.365 14.942 1.00 27.93 ? 25 GLY L CA 1 ATOM 3913 C C . GLY B 2 24 ? 10.097 -63.974 14.922 1.00 31.38 ? 25 GLY L C 1 ATOM 3914 O O . GLY B 2 24 ? 9.191 -63.501 15.611 1.00 31.75 ? 25 GLY L O 1 ATOM 3915 H H . GLY B 2 24 ? 11.568 -63.185 16.897 1.00 38.17 ? 25 GLY L H 1 ATOM 3916 H HA2 . GLY B 2 24 ? 11.542 -62.707 14.231 1.00 33.52 ? 25 GLY L HA2 1 ATOM 3917 H HA3 . GLY B 2 24 ? 12.131 -64.067 14.758 1.00 33.52 ? 25 GLY L HA3 1 ATOM 3918 N N . THR B 2 25 ? 9.931 -65.028 14.125 1.00 33.60 ? 26 THR L N 1 ATOM 3919 C CA . THR B 2 25 ? 8.648 -65.714 13.999 1.00 36.05 ? 26 THR L CA 1 ATOM 3920 C C . THR B 2 25 ? 8.851 -67.226 14.017 1.00 34.86 ? 26 THR L C 1 ATOM 3921 O O . THR B 2 25 ? 9.983 -67.711 14.002 1.00 34.50 ? 26 THR L O 1 ATOM 3922 C CB . THR B 2 25 ? 7.924 -65.335 12.688 1.00 36.25 ? 26 THR L CB 1 ATOM 3923 O OG1 . THR B 2 25 ? 8.446 -66.111 11.603 1.00 37.94 ? 26 THR L OG1 1 ATOM 3924 C CG2 . THR B 2 25 ? 8.099 -63.857 12.383 1.00 33.26 ? 26 THR L CG2 1 ATOM 3925 H H . THR B 2 25 ? 10.555 -65.368 13.641 1.00 40.32 ? 26 THR L H 1 ATOM 3926 H HA . THR B 2 25 ? 8.072 -65.470 14.753 1.00 43.26 ? 26 THR L HA 1 ATOM 3927 H HB . THR B 2 25 ? 6.976 -65.516 12.783 1.00 43.50 ? 26 THR L HB 1 ATOM 3928 H HG1 . THR B 2 25 ? 9.249 -65.967 11.516 1.00 45.52 ? 26 THR L HG1 1 ATOM 3929 H HG21 . THR B 2 25 ? 7.645 -63.635 11.567 1.00 39.92 ? 26 THR L HG21 1 ATOM 3930 H HG22 . THR B 2 25 ? 7.734 -63.329 13.097 1.00 39.92 ? 26 THR L HG22 1 ATOM 3931 H HG23 . THR B 2 25 ? 9.032 -63.651 12.287 1.00 39.92 ? 26 THR L HG23 1 ATOM 3932 N N . SER B 2 26 ? 7.748 -67.967 14.034 1.00 35.49 ? 27 SER L N 1 ATOM 3933 C CA . SER B 2 26 ? 7.804 -69.423 14.115 1.00 39.31 ? 27 SER L CA 1 ATOM 3934 C C . SER B 2 26 ? 8.354 -70.054 12.837 1.00 42.79 ? 27 SER L C 1 ATOM 3935 O O . SER B 2 26 ? 8.620 -71.256 12.799 1.00 46.12 ? 27 SER L O 1 ATOM 3936 C CB . SER B 2 26 ? 6.415 -69.992 14.414 1.00 41.32 ? 27 SER L CB 1 ATOM 3937 O OG . SER B 2 26 ? 5.488 -69.642 13.400 1.00 44.34 ? 27 SER L OG 1 ATOM 3938 H H . SER B 2 26 ? 6.950 -67.649 14.000 1.00 42.59 ? 27 SER L H 1 ATOM 3939 H HA . SER B 2 26 ? 8.397 -69.676 14.853 1.00 47.17 ? 27 SER L HA 1 ATOM 3940 H HB2 . SER B 2 26 ? 6.475 -70.958 14.465 1.00 49.58 ? 27 SER L HB2 1 ATOM 3941 H HB3 . SER B 2 26 ? 6.104 -69.634 15.261 1.00 49.58 ? 27 SER L HB3 1 ATOM 3942 H HG . SER B 2 26 ? 4.750 -69.953 13.575 1.00 53.21 ? 27 SER L HG 1 ATOM 3943 N N . SER B 2 27 A 8.524 -69.246 11.794 1.00 41.36 ? 27 SER L N 1 ATOM 3944 C CA . SER B 2 27 A 9.052 -69.737 10.524 1.00 42.23 ? 27 SER L CA 1 ATOM 3945 C C . SER B 2 27 A 10.566 -69.569 10.438 1.00 41.66 ? 27 SER L C 1 ATOM 3946 O O . SER B 2 27 A 11.184 -69.979 9.454 1.00 45.34 ? 27 SER L O 1 ATOM 3947 C CB . SER B 2 27 A 8.384 -69.015 9.353 1.00 45.21 ? 27 SER L CB 1 ATOM 3948 O OG . SER B 2 27 A 7.011 -69.358 9.255 1.00 51.48 ? 27 SER L OG 1 ATOM 3949 H H . SER B 2 27 A 8.341 -68.406 11.796 1.00 49.63 ? 27 SER L H 1 ATOM 3950 H HA . SER B 2 27 A 8.849 -70.693 10.445 1.00 50.68 ? 27 SER L HA 1 ATOM 3951 H HB2 . SER B 2 27 A 8.460 -68.057 9.489 1.00 54.25 ? 27 SER L HB2 1 ATOM 3952 H HB3 . SER B 2 27 A 8.831 -69.269 8.530 1.00 54.25 ? 27 SER L HB3 1 ATOM 3953 H HG . SER B 2 27 A 6.668 -68.964 8.624 1.00 61.78 ? 27 SER L HG 1 ATOM 3954 N N . ASP B 2 28 B 11.161 -68.969 11.467 1.00 37.55 ? 27 ASP L N 1 ATOM 3955 C CA . ASP B 2 28 B 12.612 -68.791 11.505 1.00 36.05 ? 27 ASP L CA 1 ATOM 3956 C C . ASP B 2 28 B 13.196 -69.070 12.894 1.00 36.71 ? 27 ASP L C 1 ATOM 3957 O O . ASP B 2 28 B 13.530 -70.211 13.210 1.00 39.70 ? 27 ASP L O 1 ATOM 3958 C CB . ASP B 2 28 B 13.006 -67.390 11.016 1.00 35.75 ? 27 ASP L CB 1 ATOM 3959 C CG . ASP B 2 28 B 12.034 -66.311 11.464 1.00 40.53 ? 27 ASP L CG 1 ATOM 3960 O OD1 . ASP B 2 28 B 12.233 -65.744 12.559 1.00 41.27 ? 27 ASP L OD1 1 ATOM 3961 O OD2 . ASP B 2 28 B 11.075 -66.021 10.718 1.00 43.09 ? 27 ASP L OD2 1 ATOM 3962 H H . ASP B 2 28 B 10.749 -68.657 12.154 1.00 45.07 ? 27 ASP L H 1 ATOM 3963 H HA . ASP B 2 28 B 13.014 -69.437 10.888 1.00 43.26 ? 27 ASP L HA 1 ATOM 3964 H HB2 . ASP B 2 28 B 13.883 -67.168 11.367 1.00 42.89 ? 27 ASP L HB2 1 ATOM 3965 H HB3 . ASP B 2 28 B 13.028 -67.389 10.046 1.00 42.89 ? 27 ASP L HB3 1 ATOM 3966 N N . VAL B 2 29 C 13.315 -68.034 13.720 1.00 33.58 ? 27 VAL L N 1 ATOM 3967 C CA . VAL B 2 29 C 13.943 -68.166 15.032 1.00 33.54 ? 27 VAL L CA 1 ATOM 3968 C C . VAL B 2 29 C 13.228 -69.184 15.918 1.00 33.69 ? 27 VAL L C 1 ATOM 3969 O O . VAL B 2 29 C 13.864 -69.902 16.689 1.00 37.15 ? 27 VAL L O 1 ATOM 3970 C CB . VAL B 2 29 C 13.998 -66.806 15.754 1.00 34.84 ? 27 VAL L CB 1 ATOM 3971 C CG1 . VAL B 2 29 C 14.355 -66.987 17.224 1.00 28.59 ? 27 VAL L CG1 1 ATOM 3972 C CG2 . VAL B 2 29 C 15.000 -65.888 15.073 1.00 37.84 ? 27 VAL L CG2 1 ATOM 3973 H H . VAL B 2 29 C 13.038 -67.239 13.543 1.00 40.29 ? 27 VAL L H 1 ATOM 3974 H HA . VAL B 2 29 C 14.865 -68.475 14.908 1.00 40.25 ? 27 VAL L HA 1 ATOM 3975 H HB . VAL B 2 29 C 13.116 -66.382 15.706 1.00 41.81 ? 27 VAL L HB 1 ATOM 3976 H HG11 . VAL B 2 29 C 14.382 -66.125 17.646 1.00 34.31 ? 27 VAL L HG11 1 ATOM 3977 H HG12 . VAL B 2 29 C 13.688 -67.537 17.641 1.00 34.31 ? 27 VAL L HG12 1 ATOM 3978 H HG13 . VAL B 2 29 C 15.215 -67.409 17.286 1.00 34.31 ? 27 VAL L HG13 1 ATOM 3979 H HG21 . VAL B 2 29 C 15.020 -65.048 15.537 1.00 45.41 ? 27 VAL L HG21 1 ATOM 3980 H HG22 . VAL B 2 29 C 15.868 -66.298 15.100 1.00 45.41 ? 27 VAL L HG22 1 ATOM 3981 H HG23 . VAL B 2 29 C 14.730 -65.753 14.161 1.00 45.41 ? 27 VAL L HG23 1 ATOM 3982 N N . GLY B 2 30 ? 11.906 -69.249 15.801 1.00 32.69 ? 28 GLY L N 1 ATOM 3983 C CA . GLY B 2 30 ? 11.122 -70.175 16.596 1.00 35.52 ? 28 GLY L CA 1 ATOM 3984 C C . GLY B 2 30 ? 10.880 -71.504 15.904 1.00 41.48 ? 28 GLY L C 1 ATOM 3985 O O . GLY B 2 30 ? 10.050 -72.296 16.350 1.00 45.76 ? 28 GLY L O 1 ATOM 3986 H H . GLY B 2 30 ? 11.441 -68.764 15.265 1.00 39.22 ? 28 GLY L H 1 ATOM 3987 H HA2 . GLY B 2 30 ? 11.581 -70.347 17.433 1.00 42.62 ? 28 GLY L HA2 1 ATOM 3988 H HA3 . GLY B 2 30 ? 10.261 -69.776 16.796 1.00 42.62 ? 28 GLY L HA3 1 ATOM 3989 N N . GLY B 2 31 ? 11.606 -71.754 14.818 1.00 42.72 ? 29 GLY L N 1 ATOM 3990 C CA . GLY B 2 31 ? 11.426 -72.973 14.048 1.00 42.59 ? 29 GLY L CA 1 ATOM 3991 C C . GLY B 2 31 ? 12.654 -73.867 13.998 1.00 39.44 ? 29 GLY L C 1 ATOM 3992 O O . GLY B 2 31 ? 12.558 -75.037 13.620 1.00 39.60 ? 29 GLY L O 1 ATOM 3993 H H . GLY B 2 31 ? 12.211 -71.229 14.507 1.00 51.27 ? 29 GLY L H 1 ATOM 3994 H HA2 . GLY B 2 31 ? 10.697 -73.485 14.432 1.00 51.10 ? 29 GLY L HA2 1 ATOM 3995 H HA3 . GLY B 2 31 ? 11.186 -72.740 13.138 1.00 51.10 ? 29 GLY L HA3 1 ATOM 3996 N N . PHE B 2 32 ? 13.809 -73.321 14.371 1.00 36.64 ? 30 PHE L N 1 ATOM 3997 C CA . PHE B 2 32 ? 15.059 -74.073 14.336 1.00 39.23 ? 30 PHE L CA 1 ATOM 3998 C C . PHE B 2 32 ? 16.003 -73.612 15.438 1.00 39.75 ? 30 PHE L C 1 ATOM 3999 O O . PHE B 2 32 ? 15.889 -72.494 15.941 1.00 40.79 ? 30 PHE L O 1 ATOM 4000 C CB . PHE B 2 32 ? 15.754 -73.891 12.986 1.00 40.41 ? 30 PHE L CB 1 ATOM 4001 C CG . PHE B 2 32 ? 14.875 -74.180 11.807 1.00 43.14 ? 30 PHE L CG 1 ATOM 4002 C CD1 . PHE B 2 32 ? 14.796 -75.458 11.285 1.00 42.64 ? 30 PHE L CD1 1 ATOM 4003 C CD2 . PHE B 2 32 ? 14.132 -73.171 11.217 1.00 41.27 ? 30 PHE L CD2 1 ATOM 4004 C CE1 . PHE B 2 32 ? 13.989 -75.728 10.197 1.00 39.69 ? 30 PHE L CE1 1 ATOM 4005 C CE2 . PHE B 2 32 ? 13.322 -73.434 10.129 1.00 39.08 ? 30 PHE L CE2 1 ATOM 4006 C CZ . PHE B 2 32 ? 13.251 -74.716 9.619 1.00 37.96 ? 30 PHE L CZ 1 ATOM 4007 H H . PHE B 2 32 ? 13.895 -72.512 14.650 1.00 43.97 ? 30 PHE L H 1 ATOM 4008 H HA . PHE B 2 32 ? 14.872 -75.026 14.465 1.00 47.08 ? 30 PHE L HA 1 ATOM 4009 H HB2 . PHE B 2 32 ? 16.056 -72.973 12.911 1.00 48.49 ? 30 PHE L HB2 1 ATOM 4010 H HB3 . PHE B 2 32 ? 16.514 -74.492 12.943 1.00 48.49 ? 30 PHE L HB3 1 ATOM 4011 H HD1 . PHE B 2 32 ? 15.291 -76.144 11.671 1.00 51.17 ? 30 PHE L HD1 1 ATOM 4012 H HD2 . PHE B 2 32 ? 14.177 -72.307 11.558 1.00 49.53 ? 30 PHE L HD2 1 ATOM 4013 H HE1 . PHE B 2 32 ? 13.943 -76.592 9.855 1.00 47.63 ? 30 PHE L HE1 1 ATOM 4014 H HE2 . PHE B 2 32 ? 12.826 -72.750 9.741 1.00 46.90 ? 30 PHE L HE2 1 ATOM 4015 H HZ . PHE B 2 32 ? 12.707 -74.896 8.886 1.00 45.56 ? 30 PHE L HZ 1 ATOM 4016 N N . ASP B 2 33 ? 16.942 -74.479 15.801 1.00 41.56 ? 31 ASP L N 1 ATOM 4017 C CA . ASP B 2 33 ? 18.009 -74.118 16.724 1.00 44.62 ? 31 ASP L CA 1 ATOM 4018 C C . ASP B 2 33 ? 19.217 -73.700 15.894 1.00 40.47 ? 31 ASP L C 1 ATOM 4019 O O . ASP B 2 33 ? 20.326 -74.194 16.096 1.00 41.54 ? 31 ASP L O 1 ATOM 4020 C CB . ASP B 2 33 ? 18.373 -75.303 17.625 1.00 51.81 ? 31 ASP L CB 1 ATOM 4021 C CG . ASP B 2 33 ? 17.221 -75.740 18.514 1.00 62.60 ? 31 ASP L CG 1 ATOM 4022 O OD1 . ASP B 2 33 ? 16.576 -74.869 19.134 1.00 65.21 ? 31 ASP L OD1 1 ATOM 4023 O OD2 . ASP B 2 33 ? 16.962 -76.960 18.595 1.00 69.25 ? 31 ASP L OD2 1 ATOM 4024 H H . ASP B 2 33 ? 16.982 -75.292 15.522 1.00 49.87 ? 31 ASP L H 1 ATOM 4025 H HA . ASP B 2 33 ? 17.729 -73.364 17.284 1.00 53.54 ? 31 ASP L HA 1 ATOM 4026 H HB2 . ASP B 2 33 ? 18.626 -76.057 17.069 1.00 62.18 ? 31 ASP L HB2 1 ATOM 4027 H HB3 . ASP B 2 33 ? 19.114 -75.049 18.197 1.00 62.18 ? 31 ASP L HB3 1 ATOM 4028 N N . SER B 2 34 ? 18.986 -72.789 14.953 1.00 37.22 ? 32 SER L N 1 ATOM 4029 C CA . SER B 2 34 ? 20.000 -72.400 13.982 1.00 34.99 ? 32 SER L CA 1 ATOM 4030 C C . SER B 2 34 ? 20.147 -70.887 13.944 1.00 32.29 ? 32 SER L C 1 ATOM 4031 O O . SER B 2 34 ? 20.156 -70.282 12.870 1.00 34.55 ? 32 SER L O 1 ATOM 4032 C CB . SER B 2 34 ? 19.617 -72.905 12.589 1.00 34.89 ? 32 SER L CB 1 ATOM 4033 O OG . SER B 2 34 ? 19.313 -74.290 12.606 1.00 37.40 ? 32 SER L OG 1 ATOM 4034 H H . SER B 2 34 ? 18.238 -72.377 14.856 1.00 44.66 ? 32 SER L H 1 ATOM 4035 H HA . SER B 2 34 ? 20.863 -72.793 14.231 1.00 41.99 ? 32 SER L HA 1 ATOM 4036 H HB2 . SER B 2 34 ? 18.838 -72.417 12.281 1.00 41.86 ? 32 SER L HB2 1 ATOM 4037 H HB3 . SER B 2 34 ? 20.361 -72.755 11.985 1.00 41.86 ? 32 SER L HB3 1 ATOM 4038 H HG . SER B 2 34 ? 19.395 -74.586 13.366 1.00 44.88 ? 32 SER L HG 1 ATOM 4039 N N . VAL B 2 35 ? 20.248 -70.275 15.119 1.00 30.36 ? 33 VAL L N 1 ATOM 4040 C CA . VAL B 2 35 ? 20.446 -68.833 15.210 1.00 29.57 ? 33 VAL L CA 1 ATOM 4041 C C . VAL B 2 35 ? 21.923 -68.524 15.415 1.00 30.47 ? 33 VAL L C 1 ATOM 4042 O O . VAL B 2 35 ? 22.550 -69.040 16.338 1.00 36.50 ? 33 VAL L O 1 ATOM 4043 C CB . VAL B 2 35 ? 19.634 -68.218 16.364 1.00 29.08 ? 33 VAL L CB 1 ATOM 4044 C CG1 . VAL B 2 35 ? 19.979 -66.745 16.537 1.00 20.87 ? 33 VAL L CG1 1 ATOM 4045 C CG2 . VAL B 2 35 ? 18.145 -68.393 16.113 1.00 32.98 ? 33 VAL L CG2 1 ATOM 4046 H H . VAL B 2 35 ? 20.206 -70.673 15.880 1.00 36.43 ? 33 VAL L H 1 ATOM 4047 H HA . VAL B 2 35 ? 20.157 -68.413 14.373 1.00 35.48 ? 33 VAL L HA 1 ATOM 4048 H HB . VAL B 2 35 ? 19.859 -68.683 17.197 1.00 34.90 ? 33 VAL L HB 1 ATOM 4049 H HG11 . VAL B 2 35 ? 19.460 -66.386 17.260 1.00 25.05 ? 33 VAL L HG11 1 ATOM 4050 H HG12 . VAL B 2 35 ? 20.915 -66.664 16.733 1.00 25.05 ? 33 VAL L HG12 1 ATOM 4051 H HG13 . VAL B 2 35 ? 19.773 -66.279 15.723 1.00 25.05 ? 33 VAL L HG13 1 ATOM 4052 H HG21 . VAL B 2 35 ? 17.658 -68.003 16.843 1.00 39.57 ? 33 VAL L HG21 1 ATOM 4053 H HG22 . VAL B 2 35 ? 17.913 -67.952 15.292 1.00 39.57 ? 33 VAL L HG22 1 ATOM 4054 H HG23 . VAL B 2 35 ? 17.947 -69.330 16.050 1.00 39.57 ? 33 VAL L HG23 1 ATOM 4055 N N . SER B 2 36 ? 22.476 -67.685 14.546 1.00 25.03 ? 34 SER L N 1 ATOM 4056 C CA . SER B 2 36 ? 23.882 -67.317 14.635 1.00 25.37 ? 34 SER L CA 1 ATOM 4057 C C . SER B 2 36 ? 24.036 -65.806 14.770 1.00 25.04 ? 34 SER L C 1 ATOM 4058 O O . SER B 2 36 ? 23.195 -65.041 14.299 1.00 25.18 ? 34 SER L O 1 ATOM 4059 C CB . SER B 2 36 ? 24.646 -67.825 13.410 1.00 25.34 ? 34 SER L CB 1 ATOM 4060 O OG . SER B 2 36 ? 24.076 -67.332 12.210 1.00 25.81 ? 34 SER L OG 1 ATOM 4061 H H . SER B 2 36 ? 22.056 -67.314 13.893 1.00 30.03 ? 34 SER L H 1 ATOM 4062 H HA . SER B 2 36 ? 24.272 -67.734 15.431 1.00 30.44 ? 34 SER L HA 1 ATOM 4063 H HB2 . SER B 2 36 ? 25.567 -67.526 13.467 1.00 30.41 ? 34 SER L HB2 1 ATOM 4064 H HB3 . SER B 2 36 ? 24.613 -68.794 13.399 1.00 30.41 ? 34 SER L HB3 1 ATOM 4065 H HG . SER B 2 36 ? 24.496 -67.613 11.564 1.00 30.97 ? 34 SER L HG 1 ATOM 4066 N N . TRP B 2 37 ? 25.112 -65.385 15.424 1.00 25.68 ? 35 TRP L N 1 ATOM 4067 C CA . TRP B 2 37 ? 25.372 -63.970 15.649 1.00 27.48 ? 35 TRP L CA 1 ATOM 4068 C C . TRP B 2 37 ? 26.701 -63.581 15.024 1.00 26.68 ? 35 TRP L C 1 ATOM 4069 O O . TRP B 2 37 ? 27.684 -64.315 15.128 1.00 28.56 ? 35 TRP L O 1 ATOM 4070 C CB . TRP B 2 37 ? 25.393 -63.662 17.147 1.00 27.84 ? 35 TRP L CB 1 ATOM 4071 C CG . TRP B 2 37 ? 24.055 -63.796 17.812 1.00 25.48 ? 35 TRP L CG 1 ATOM 4072 C CD1 . TRP B 2 37 ? 23.481 -64.944 18.275 1.00 25.30 ? 35 TRP L CD1 1 ATOM 4073 C CD2 . TRP B 2 37 ? 23.125 -62.741 18.094 1.00 19.70 ? 35 TRP L CD2 1 ATOM 4074 N NE1 . TRP B 2 37 ? 22.252 -64.670 18.827 1.00 23.47 ? 35 TRP L NE1 1 ATOM 4075 C CE2 . TRP B 2 37 ? 22.009 -63.325 18.727 1.00 22.57 ? 35 TRP L CE2 1 ATOM 4076 C CE3 . TRP B 2 37 ? 23.128 -61.361 17.873 1.00 17.25 ? 35 TRP L CE3 1 ATOM 4077 C CZ2 . TRP B 2 37 ? 20.907 -62.577 19.140 1.00 23.68 ? 35 TRP L CZ2 1 ATOM 4078 C CZ3 . TRP B 2 37 ? 22.032 -60.619 18.284 1.00 20.22 ? 35 TRP L CZ3 1 ATOM 4079 C CH2 . TRP B 2 37 ? 20.938 -61.229 18.911 1.00 22.10 ? 35 TRP L CH2 1 ATOM 4080 H H . TRP B 2 37 ? 25.714 -65.905 15.750 1.00 30.81 ? 35 TRP L H 1 ATOM 4081 H HA . TRP B 2 37 ? 24.664 -63.436 15.232 1.00 32.98 ? 35 TRP L HA 1 ATOM 4082 H HB2 . TRP B 2 37 ? 26.004 -64.276 17.584 1.00 33.40 ? 35 TRP L HB2 1 ATOM 4083 H HB3 . TRP B 2 37 ? 25.697 -62.749 17.275 1.00 33.40 ? 35 TRP L HB3 1 ATOM 4084 H HD1 . TRP B 2 37 ? 23.866 -65.789 18.224 1.00 30.37 ? 35 TRP L HD1 1 ATOM 4085 H HE1 . TRP B 2 37 ? 21.720 -65.249 19.175 1.00 28.17 ? 35 TRP L HE1 1 ATOM 4086 H HE3 . TRP B 2 37 ? 23.851 -60.948 17.457 1.00 20.70 ? 35 TRP L HE3 1 ATOM 4087 H HZ2 . TRP B 2 37 ? 20.180 -62.980 19.556 1.00 28.41 ? 35 TRP L HZ2 1 ATOM 4088 H HZ3 . TRP B 2 37 ? 22.023 -59.700 18.141 1.00 24.26 ? 35 TRP L HZ3 1 ATOM 4089 H HH2 . TRP B 2 37 ? 20.216 -60.706 19.175 1.00 26.51 ? 35 TRP L HH2 1 ATOM 4090 N N . TYR B 2 38 ? 26.724 -62.422 14.376 1.00 22.93 ? 36 TYR L N 1 ATOM 4091 C CA . TYR B 2 38 ? 27.926 -61.942 13.713 1.00 25.35 ? 36 TYR L CA 1 ATOM 4092 C C . TYR B 2 38 ? 28.302 -60.562 14.226 1.00 28.83 ? 36 TYR L C 1 ATOM 4093 O O . TYR B 2 38 ? 27.439 -59.712 14.439 1.00 31.76 ? 36 TYR L O 1 ATOM 4094 C CB . TYR B 2 38 ? 27.706 -61.899 12.200 1.00 25.25 ? 36 TYR L CB 1 ATOM 4095 C CG . TYR B 2 38 ? 27.297 -63.236 11.626 1.00 26.46 ? 36 TYR L CG 1 ATOM 4096 C CD1 . TYR B 2 38 ? 25.966 -63.638 11.628 1.00 27.36 ? 36 TYR L CD1 1 ATOM 4097 C CD2 . TYR B 2 38 ? 28.241 -64.105 11.098 1.00 27.30 ? 36 TYR L CD2 1 ATOM 4098 C CE1 . TYR B 2 38 ? 25.588 -64.863 11.115 1.00 31.31 ? 36 TYR L CE1 1 ATOM 4099 C CE2 . TYR B 2 38 ? 27.870 -65.332 10.579 1.00 30.23 ? 36 TYR L CE2 1 ATOM 4100 C CZ . TYR B 2 38 ? 26.545 -65.707 10.594 1.00 33.53 ? 36 TYR L CZ 1 ATOM 4101 O OH . TYR B 2 38 ? 26.176 -66.927 10.079 1.00 38.64 ? 36 TYR L OH 1 ATOM 4102 H H . TYR B 2 38 ? 26.050 -61.893 14.305 1.00 27.51 ? 36 TYR L H 1 ATOM 4103 H HA . TYR B 2 38 ? 28.668 -62.554 13.900 1.00 30.42 ? 36 TYR L HA 1 ATOM 4104 H HB2 . TYR B 2 38 ? 27.004 -61.261 12.002 1.00 30.30 ? 36 TYR L HB2 1 ATOM 4105 H HB3 . TYR B 2 38 ? 28.532 -61.629 11.769 1.00 30.30 ? 36 TYR L HB3 1 ATOM 4106 H HD1 . TYR B 2 38 ? 25.319 -63.072 11.982 1.00 32.84 ? 36 TYR L HD1 1 ATOM 4107 H HD2 . TYR B 2 38 ? 29.137 -63.856 11.088 1.00 32.76 ? 36 TYR L HD2 1 ATOM 4108 H HE1 . TYR B 2 38 ? 24.694 -65.118 11.122 1.00 37.57 ? 36 TYR L HE1 1 ATOM 4109 H HE2 . TYR B 2 38 ? 28.514 -65.904 10.226 1.00 36.28 ? 36 TYR L HE2 1 ATOM 4110 H HH . TYR B 2 38 ? 25.650 -66.823 9.458 1.00 46.37 ? 36 TYR L HH 1 ATOM 4111 N N . GLN B 2 39 ? 29.597 -60.349 14.432 1.00 28.16 ? 37 GLN L N 1 ATOM 4112 C CA . GLN B 2 39 ? 30.100 -59.046 14.834 1.00 30.23 ? 37 GLN L CA 1 ATOM 4113 C C . GLN B 2 39 ? 30.797 -58.400 13.650 1.00 26.73 ? 37 GLN L C 1 ATOM 4114 O O . GLN B 2 39 ? 31.529 -59.061 12.914 1.00 28.79 ? 37 GLN L O 1 ATOM 4115 C CB . GLN B 2 39 ? 31.078 -59.175 16.001 1.00 33.31 ? 37 GLN L CB 1 ATOM 4116 C CG . GLN B 2 39 ? 31.604 -57.841 16.491 1.00 40.23 ? 37 GLN L CG 1 ATOM 4117 C CD . GLN B 2 39 ? 32.772 -57.983 17.442 1.00 46.50 ? 37 GLN L CD 1 ATOM 4118 O OE1 . GLN B 2 39 ? 33.151 -59.091 17.821 1.00 43.14 ? 37 GLN L OE1 1 ATOM 4119 N NE2 . GLN B 2 39 ? 33.356 -56.854 17.829 1.00 52.70 ? 37 GLN L NE2 1 ATOM 4120 H H . GLN B 2 39 ? 30.207 -60.949 14.345 1.00 33.80 ? 37 GLN L H 1 ATOM 4121 H HA . GLN B 2 39 ? 29.354 -58.474 15.110 1.00 36.28 ? 37 GLN L HA 1 ATOM 4122 H HB2 . GLN B 2 39 ? 30.627 -59.609 16.742 1.00 39.97 ? 37 GLN L HB2 1 ATOM 4123 H HB3 . GLN B 2 39 ? 31.837 -59.709 15.718 1.00 39.97 ? 37 GLN L HB3 1 ATOM 4124 H HG2 . GLN B 2 39 ? 31.899 -57.319 15.729 1.00 48.27 ? 37 GLN L HG2 1 ATOM 4125 H HG3 . GLN B 2 39 ? 30.893 -57.374 16.958 1.00 48.27 ? 37 GLN L HG3 1 ATOM 4126 H HE21 . GLN B 2 39 ? 33.065 -56.098 17.540 1.00 63.24 ? 37 GLN L HE21 1 ATOM 4127 H HE22 . GLN B 2 39 ? 34.025 -56.879 18.369 1.00 63.24 ? 37 GLN L HE22 1 ATOM 4128 N N . GLN B 2 40 ? 30.564 -57.105 13.468 1.00 27.39 ? 38 GLN L N 1 ATOM 4129 C CA . GLN B 2 40 ? 31.192 -56.364 12.386 1.00 33.63 ? 38 GLN L CA 1 ATOM 4130 C C . GLN B 2 40 ? 31.980 -55.190 12.946 1.00 36.79 ? 38 GLN L C 1 ATOM 4131 O O . GLN B 2 40 ? 31.407 -54.171 13.329 1.00 35.67 ? 38 GLN L O 1 ATOM 4132 C CB . GLN B 2 40 ? 30.139 -55.863 11.396 1.00 32.12 ? 38 GLN L CB 1 ATOM 4133 C CG . GLN B 2 40 ? 30.732 -55.321 10.109 1.00 33.57 ? 38 GLN L CG 1 ATOM 4134 C CD . GLN B 2 40 ? 29.678 -54.852 9.128 1.00 33.03 ? 38 GLN L CD 1 ATOM 4135 O OE1 . GLN B 2 40 ? 28.570 -54.479 9.517 1.00 32.89 ? 38 GLN L OE1 1 ATOM 4136 N NE2 . GLN B 2 40 ? 30.015 -54.877 7.842 1.00 32.53 ? 38 GLN L NE2 1 ATOM 4137 H H . GLN B 2 40 ? 30.044 -56.632 13.962 1.00 32.87 ? 38 GLN L H 1 ATOM 4138 H HA . GLN B 2 40 ? 31.812 -56.951 11.906 1.00 40.35 ? 38 GLN L HA 1 ATOM 4139 H HB2 . GLN B 2 40 ? 29.550 -56.598 11.166 1.00 38.54 ? 38 GLN L HB2 1 ATOM 4140 H HB3 . GLN B 2 40 ? 29.630 -55.150 11.813 1.00 38.54 ? 38 GLN L HB3 1 ATOM 4141 H HG2 . GLN B 2 40 ? 31.304 -54.565 10.318 1.00 40.28 ? 38 GLN L HG2 1 ATOM 4142 H HG3 . GLN B 2 40 ? 31.250 -56.020 9.680 1.00 40.28 ? 38 GLN L HG3 1 ATOM 4143 H HE21 . GLN B 2 40 ? 30.797 -55.148 7.608 1.00 39.04 ? 38 GLN L HE21 1 ATOM 4144 H HE22 . GLN B 2 40 ? 29.452 -54.621 7.245 1.00 39.04 ? 38 GLN L HE22 1 ATOM 4145 N N . SER B 2 41 ? 33.297 -55.347 13.004 1.00 45.64 ? 39 SER L N 1 ATOM 4146 C CA . SER B 2 41 ? 34.172 -54.278 13.456 1.00 56.80 ? 39 SER L CA 1 ATOM 4147 C C . SER B 2 41 ? 34.331 -53.261 12.337 1.00 61.54 ? 39 SER L C 1 ATOM 4148 O O . SER B 2 41 ? 34.269 -53.616 11.161 1.00 64.47 ? 39 SER L O 1 ATOM 4149 C CB . SER B 2 41 ? 35.541 -54.837 13.842 1.00 63.19 ? 39 SER L CB 1 ATOM 4150 O OG . SER B 2 41 ? 35.421 -55.849 14.827 1.00 65.62 ? 39 SER L OG 1 ATOM 4151 H H . SER B 2 41 ? 33.709 -56.069 12.786 1.00 54.76 ? 39 SER L H 1 ATOM 4152 H HA . SER B 2 41 ? 33.780 -53.833 14.236 1.00 68.16 ? 39 SER L HA 1 ATOM 4153 H HB2 . SER B 2 41 ? 35.960 -55.214 13.053 1.00 75.83 ? 39 SER L HB2 1 ATOM 4154 H HB3 . SER B 2 41 ? 36.087 -54.117 14.195 1.00 75.83 ? 39 SER L HB3 1 ATOM 4155 H HG . SER B 2 41 ? 36.163 -56.138 15.023 1.00 78.75 ? 39 SER L HG 1 ATOM 4156 N N . PRO B 2 42 ? 34.535 -51.988 12.698 1.00 62.21 ? 40 PRO L N 1 ATOM 4157 C CA . PRO B 2 42 ? 34.742 -50.962 11.672 1.00 62.27 ? 40 PRO L CA 1 ATOM 4158 C C . PRO B 2 42 ? 35.896 -51.327 10.741 1.00 65.13 ? 40 PRO L C 1 ATOM 4159 O O . PRO B 2 42 ? 37.023 -51.515 11.201 1.00 61.50 ? 40 PRO L O 1 ATOM 4160 C CB . PRO B 2 42 ? 35.066 -49.702 12.490 1.00 61.43 ? 40 PRO L CB 1 ATOM 4161 C CG . PRO B 2 42 ? 35.425 -50.191 13.859 1.00 61.43 ? 40 PRO L CG 1 ATOM 4162 C CD . PRO B 2 42 ? 34.634 -51.439 14.059 1.00 61.26 ? 40 PRO L CD 1 ATOM 4163 H HA . PRO B 2 42 ? 33.925 -50.820 11.151 1.00 74.73 ? 40 PRO L HA 1 ATOM 4164 H HB2 . PRO B 2 42 ? 35.814 -49.235 12.086 1.00 73.72 ? 40 PRO L HB2 1 ATOM 4165 H HB3 . PRO B 2 42 ? 34.284 -49.128 12.526 1.00 73.72 ? 40 PRO L HB3 1 ATOM 4166 H HG2 . PRO B 2 42 ? 36.376 -50.378 13.898 1.00 73.72 ? 40 PRO L HG2 1 ATOM 4167 H HG3 . PRO B 2 42 ? 35.181 -49.522 14.518 1.00 73.72 ? 40 PRO L HG3 1 ATOM 4168 H HD2 . PRO B 2 42 ? 35.111 -52.054 14.639 1.00 73.51 ? 40 PRO L HD2 1 ATOM 4169 H HD3 . PRO B 2 42 ? 33.753 -51.231 14.407 1.00 73.51 ? 40 PRO L HD3 1 ATOM 4170 N N . GLY B 2 43 ? 35.605 -51.443 9.448 1.00 71.79 ? 41 GLY L N 1 ATOM 4171 C CA . GLY B 2 43 ? 36.622 -51.754 8.458 1.00 76.22 ? 41 GLY L CA 1 ATOM 4172 C C . GLY B 2 43 ? 36.701 -53.230 8.108 1.00 73.49 ? 41 GLY L C 1 ATOM 4173 O O . GLY B 2 43 ? 36.962 -53.586 6.958 1.00 78.08 ? 41 GLY L O 1 ATOM 4174 H H . GLY B 2 43 ? 34.817 -51.345 9.118 1.00 86.15 ? 41 GLY L H 1 ATOM 4175 H HA2 . GLY B 2 43 ? 36.437 -51.259 7.645 1.00 91.46 ? 41 GLY L HA2 1 ATOM 4176 H HA3 . GLY B 2 43 ? 37.488 -51.475 8.793 1.00 91.46 ? 41 GLY L HA3 1 ATOM 4177 N N . LYS B 2 44 ? 36.472 -54.089 9.096 1.00 65.30 ? 42 LYS L N 1 ATOM 4178 C CA . LYS B 2 44 ? 36.636 -55.528 8.916 1.00 63.24 ? 42 LYS L CA 1 ATOM 4179 C C . LYS B 2 44 ? 35.356 -56.202 8.434 1.00 54.29 ? 42 LYS L C 1 ATOM 4180 O O . LYS B 2 44 ? 34.263 -55.645 8.549 1.00 53.06 ? 42 LYS L O 1 ATOM 4181 C CB . LYS B 2 44 ? 37.073 -56.179 10.228 1.00 70.98 ? 42 LYS L CB 1 ATOM 4182 C CG . LYS B 2 44 ? 38.354 -55.614 10.814 1.00 84.18 ? 42 LYS L CG 1 ATOM 4183 C CD . LYS B 2 44 ? 38.699 -56.288 12.133 1.00 94.47 ? 42 LYS L CD 1 ATOM 4184 C CE . LYS B 2 44 ? 39.891 -55.630 12.804 1.00 105.33 ? 42 LYS L CE 1 ATOM 4185 N NZ . LYS B 2 44 ? 40.098 -56.154 14.182 1.00 108.48 ? 42 LYS L NZ 1 ATOM 4186 H H . LYS B 2 44 ? 36.220 -53.862 9.886 1.00 78.36 ? 42 LYS L H 1 ATOM 4187 H HA . LYS B 2 44 ? 37.335 -55.689 8.248 1.00 75.88 ? 42 LYS L HA 1 ATOM 4188 H HB2 . LYS B 2 44 ? 36.370 -56.056 10.885 1.00 85.18 ? 42 LYS L HB2 1 ATOM 4189 H HB3 . LYS B 2 44 ? 37.214 -57.126 10.073 1.00 85.18 ? 42 LYS L HB3 1 ATOM 4190 H HG2 . LYS B 2 44 ? 39.085 -55.764 10.194 1.00 101.01 ? 42 LYS L HG2 1 ATOM 4191 H HG3 . LYS B 2 44 ? 38.241 -54.664 10.978 1.00 101.01 ? 42 LYS L HG3 1 ATOM 4192 H HD2 . LYS B 2 44 ? 37.940 -56.225 12.733 1.00 113.36 ? 42 LYS L HD2 1 ATOM 4193 H HD3 . LYS B 2 44 ? 38.920 -57.219 11.968 1.00 113.36 ? 42 LYS L HD3 1 ATOM 4194 H HE2 . LYS B 2 44 ? 40.691 -55.812 12.287 1.00 126.40 ? 42 LYS L HE2 1 ATOM 4195 H HE3 . LYS B 2 44 ? 39.738 -54.674 12.862 1.00 126.40 ? 42 LYS L HE3 1 ATOM 4196 H HZ1 . LYS B 2 44 ? 40.800 -55.755 14.557 1.00 130.18 ? 42 LYS L HZ1 1 ATOM 4197 H HZ2 . LYS B 2 44 ? 39.376 -55.996 14.679 1.00 130.18 ? 42 LYS L HZ2 1 ATOM 4198 H HZ3 . LYS B 2 44 ? 40.244 -57.031 14.155 1.00 130.18 ? 42 LYS L HZ3 1 ATOM 4199 N N . ALA B 2 45 ? 35.505 -57.410 7.899 1.00 49.22 ? 43 ALA L N 1 ATOM 4200 C CA . ALA B 2 45 ? 34.365 -58.217 7.483 1.00 46.16 ? 43 ALA L CA 1 ATOM 4201 C C . ALA B 2 45 ? 33.692 -58.817 8.713 1.00 40.36 ? 43 ALA L C 1 ATOM 4202 O O . ALA B 2 45 ? 34.312 -58.914 9.771 1.00 38.66 ? 43 ALA L O 1 ATOM 4203 C CB . ALA B 2 45 ? 34.817 -59.318 6.534 1.00 49.96 ? 43 ALA L CB 1 ATOM 4204 H H . ALA B 2 45 ? 36.266 -57.789 7.766 1.00 59.07 ? 43 ALA L H 1 ATOM 4205 H HA . ALA B 2 45 ? 33.715 -57.650 7.017 1.00 55.39 ? 43 ALA L HA 1 ATOM 4206 H HB1 . ALA B 2 45 ? 34.053 -59.837 6.272 1.00 59.96 ? 43 ALA L HB1 1 ATOM 4207 H HB2 . ALA B 2 45 ? 35.222 -58.918 5.762 1.00 59.96 ? 43 ALA L HB2 1 ATOM 4208 H HB3 . ALA B 2 45 ? 35.454 -59.877 6.986 1.00 59.96 ? 43 ALA L HB3 1 ATOM 4209 N N . PRO B 2 46 ? 32.415 -59.212 8.581 1.00 38.47 ? 44 PRO L N 1 ATOM 4210 C CA . PRO B 2 46 ? 31.689 -59.852 9.685 1.00 38.01 ? 44 PRO L CA 1 ATOM 4211 C C . PRO B 2 46 ? 32.394 -61.107 10.195 1.00 36.36 ? 44 PRO L C 1 ATOM 4212 O O . PRO B 2 46 ? 33.225 -61.684 9.495 1.00 37.06 ? 44 PRO L O 1 ATOM 4213 C CB . PRO B 2 46 ? 30.339 -60.206 9.055 1.00 36.87 ? 44 PRO L CB 1 ATOM 4214 C CG . PRO B 2 46 ? 30.168 -59.212 7.966 1.00 35.88 ? 44 PRO L CG 1 ATOM 4215 C CD . PRO B 2 46 ? 31.545 -58.979 7.417 1.00 38.23 ? 44 PRO L CD 1 ATOM 4216 H HA . PRO B 2 46 ? 31.554 -59.222 10.424 1.00 45.61 ? 44 PRO L HA 1 ATOM 4217 H HB2 . PRO B 2 46 ? 30.369 -61.108 8.698 1.00 44.24 ? 44 PRO L HB2 1 ATOM 4218 H HB3 . PRO B 2 46 ? 29.634 -60.119 9.716 1.00 44.24 ? 44 PRO L HB3 1 ATOM 4219 H HG2 . PRO B 2 46 ? 29.584 -59.575 7.282 1.00 43.05 ? 44 PRO L HG2 1 ATOM 4220 H HG3 . PRO B 2 46 ? 29.801 -58.391 8.329 1.00 43.05 ? 44 PRO L HG3 1 ATOM 4221 H HD2 . PRO B 2 46 ? 31.742 -59.618 6.714 1.00 45.88 ? 44 PRO L HD2 1 ATOM 4222 H HD3 . PRO B 2 46 ? 31.635 -58.065 7.104 1.00 45.88 ? 44 PRO L HD3 1 ATOM 4223 N N . LYS B 2 47 ? 32.050 -61.524 11.408 1.00 33.08 ? 45 LYS L N 1 ATOM 4224 C CA . LYS B 2 47 ? 32.729 -62.636 12.058 1.00 34.63 ? 45 LYS L CA 1 ATOM 4225 C C . LYS B 2 47 ? 31.773 -63.333 13.017 1.00 25.93 ? 45 LYS L C 1 ATOM 4226 O O . LYS B 2 47 ? 31.167 -62.690 13.873 1.00 21.90 ? 45 LYS L O 1 ATOM 4227 C CB . LYS B 2 47 ? 33.959 -62.115 12.807 1.00 44.89 ? 45 LYS L CB 1 ATOM 4228 C CG . LYS B 2 47 ? 34.682 -63.137 13.666 1.00 58.22 ? 45 LYS L CG 1 ATOM 4229 C CD . LYS B 2 47 ? 35.672 -62.443 14.583 1.00 68.06 ? 45 LYS L CD 1 ATOM 4230 C CE . LYS B 2 47 ? 36.276 -63.404 15.588 1.00 71.89 ? 45 LYS L CE 1 ATOM 4231 N NZ . LYS B 2 47 ? 37.079 -62.691 16.620 1.00 71.99 ? 45 LYS L NZ 1 ATOM 4232 H H . LYS B 2 47 ? 31.421 -61.175 11.879 1.00 39.69 ? 45 LYS L H 1 ATOM 4233 H HA . LYS B 2 47 ? 33.024 -63.283 11.383 1.00 41.55 ? 45 LYS L HA 1 ATOM 4234 H HB2 . LYS B 2 47 ? 34.595 -61.780 12.156 1.00 53.87 ? 45 LYS L HB2 1 ATOM 4235 H HB3 . LYS B 2 47 ? 33.680 -61.391 13.389 1.00 53.87 ? 45 LYS L HB3 1 ATOM 4236 H HG2 . LYS B 2 47 ? 34.038 -63.616 14.212 1.00 69.86 ? 45 LYS L HG2 1 ATOM 4237 H HG3 . LYS B 2 47 ? 35.169 -63.753 13.096 1.00 69.86 ? 45 LYS L HG3 1 ATOM 4238 H HD2 . LYS B 2 47 ? 36.391 -62.068 14.052 1.00 81.68 ? 45 LYS L HD2 1 ATOM 4239 H HD3 . LYS B 2 47 ? 35.215 -61.740 15.072 1.00 81.68 ? 45 LYS L HD3 1 ATOM 4240 H HE2 . LYS B 2 47 ? 35.564 -63.886 16.038 1.00 86.27 ? 45 LYS L HE2 1 ATOM 4241 H HE3 . LYS B 2 47 ? 36.860 -64.025 15.125 1.00 86.27 ? 45 LYS L HE3 1 ATOM 4242 H HZ1 . LYS B 2 47 ? 37.422 -63.276 17.196 1.00 86.38 ? 45 LYS L HZ1 1 ATOM 4243 H HZ2 . LYS B 2 47 ? 37.743 -62.243 16.232 1.00 86.38 ? 45 LYS L HZ2 1 ATOM 4244 H HZ3 . LYS B 2 47 ? 36.563 -62.116 17.063 1.00 86.38 ? 45 LYS L HZ3 1 ATOM 4245 N N . VAL B 2 48 ? 31.621 -64.644 12.855 1.00 25.02 ? 46 VAL L N 1 ATOM 4246 C CA . VAL B 2 48 ? 30.762 -65.420 13.744 1.00 28.15 ? 46 VAL L CA 1 ATOM 4247 C C . VAL B 2 48 ? 31.246 -65.385 15.183 1.00 28.73 ? 46 VAL L C 1 ATOM 4248 O O . VAL B 2 48 ? 32.435 -65.538 15.459 1.00 30.41 ? 46 VAL L O 1 ATOM 4249 C CB . VAL B 2 48 ? 30.649 -66.902 13.326 1.00 34.89 ? 46 VAL L CB 1 ATOM 4250 C CG1 . VAL B 2 48 ? 29.722 -67.041 12.152 1.00 45.68 ? 46 VAL L CG1 1 ATOM 4251 C CG2 . VAL B 2 48 ? 32.026 -67.512 13.038 1.00 33.47 ? 46 VAL L CG2 1 ATOM 4252 H H . VAL B 2 48 ? 32.004 -65.107 12.240 1.00 30.03 ? 46 VAL L H 1 ATOM 4253 H HA . VAL B 2 48 ? 29.861 -65.035 13.723 1.00 33.78 ? 46 VAL L HA 1 ATOM 4254 H HB . VAL B 2 48 ? 30.256 -67.404 14.070 1.00 41.87 ? 46 VAL L HB 1 ATOM 4255 H HG11 . VAL B 2 48 ? 29.665 -67.968 11.907 1.00 54.82 ? 46 VAL L HG11 1 ATOM 4256 H HG12 . VAL B 2 48 ? 28.854 -66.714 12.399 1.00 54.82 ? 46 VAL L HG12 1 ATOM 4257 H HG13 . VAL B 2 48 ? 30.069 -66.529 11.418 1.00 54.82 ? 46 VAL L HG13 1 ATOM 4258 H HG21 . VAL B 2 48 ? 31.913 -68.430 12.782 1.00 40.16 ? 46 VAL L HG21 1 ATOM 4259 H HG22 . VAL B 2 48 ? 32.442 -67.021 12.325 1.00 40.16 ? 46 VAL L HG22 1 ATOM 4260 H HG23 . VAL B 2 48 ? 32.564 -67.456 13.831 1.00 40.16 ? 46 VAL L HG23 1 ATOM 4261 N N . MET B 2 49 ? 30.299 -65.189 16.093 1.00 27.52 ? 47 MET L N 1 ATOM 4262 C CA . MET B 2 49 ? 30.573 -65.203 17.522 1.00 33.25 ? 47 MET L CA 1 ATOM 4263 C C . MET B 2 49 ? 29.829 -66.357 18.182 1.00 32.97 ? 47 MET L C 1 ATOM 4264 O O . MET B 2 49 ? 30.342 -66.994 19.100 1.00 36.22 ? 47 MET L O 1 ATOM 4265 C CB . MET B 2 49 ? 30.140 -63.878 18.145 1.00 35.35 ? 47 MET L CB 1 ATOM 4266 C CG . MET B 2 49 ? 30.706 -62.663 17.433 1.00 34.53 ? 47 MET L CG 1 ATOM 4267 S SD . MET B 2 49 ? 32.511 -62.668 17.397 1.00 46.05 ? 47 MET L SD 1 ATOM 4268 C CE . MET B 2 49 ? 32.880 -62.367 19.123 1.00 49.37 ? 47 MET L CE 1 ATOM 4269 H H . MET B 2 49 ? 29.473 -65.043 15.903 1.00 33.02 ? 47 MET L H 1 ATOM 4270 H HA . MET B 2 49 ? 31.537 -65.312 17.666 1.00 39.90 ? 47 MET L HA 1 ATOM 4271 H HB2 . MET B 2 49 ? 29.172 -63.818 18.113 1.00 42.42 ? 47 MET L HB2 1 ATOM 4272 H HB3 . MET B 2 49 ? 30.442 -63.851 19.067 1.00 42.42 ? 47 MET L HB3 1 ATOM 4273 H HG2 . MET B 2 49 ? 30.387 -62.654 16.517 1.00 41.44 ? 47 MET L HG2 1 ATOM 4274 H HG3 . MET B 2 49 ? 30.416 -61.861 17.895 1.00 41.44 ? 47 MET L HG3 1 ATOM 4275 H HE1 . MET B 2 49 ? 33.832 -62.346 19.240 1.00 59.25 ? 47 MET L HE1 1 ATOM 4276 H HE2 . MET B 2 49 ? 32.499 -61.524 19.382 1.00 59.25 ? 47 MET L HE2 1 ATOM 4277 H HE3 . MET B 2 49 ? 32.500 -63.074 19.651 1.00 59.25 ? 47 MET L HE3 1 ATOM 4278 N N . VAL B 2 50 ? 28.616 -66.619 17.706 1.00 29.56 ? 48 VAL L N 1 ATOM 4279 C CA . VAL B 2 50 ? 27.795 -67.699 18.239 1.00 27.90 ? 48 VAL L CA 1 ATOM 4280 C C . VAL B 2 50 ? 26.974 -68.331 17.123 1.00 30.18 ? 48 VAL L C 1 ATOM 4281 O O . VAL B 2 50 ? 26.447 -67.629 16.262 1.00 34.71 ? 48 VAL L O 1 ATOM 4282 C CB . VAL B 2 50 ? 26.832 -67.180 19.330 1.00 27.96 ? 48 VAL L CB 1 ATOM 4283 C CG1 . VAL B 2 50 ? 25.886 -68.284 19.790 1.00 25.82 ? 48 VAL L CG1 1 ATOM 4284 C CG2 . VAL B 2 50 ? 27.615 -66.609 20.508 1.00 28.46 ? 48 VAL L CG2 1 ATOM 4285 H H . VAL B 2 50 ? 28.242 -66.181 17.068 1.00 35.47 ? 48 VAL L H 1 ATOM 4286 H HA . VAL B 2 50 ? 28.371 -68.387 18.632 1.00 33.47 ? 48 VAL L HA 1 ATOM 4287 H HB . VAL B 2 50 ? 26.288 -66.457 18.954 1.00 33.55 ? 48 VAL L HB 1 ATOM 4288 H HG11 . VAL B 2 50 ? 25.302 -67.932 20.466 1.00 30.98 ? 48 VAL L HG11 1 ATOM 4289 H HG12 . VAL B 2 50 ? 25.372 -68.587 19.038 1.00 30.98 ? 48 VAL L HG12 1 ATOM 4290 H HG13 . VAL B 2 50 ? 26.403 -69.009 20.148 1.00 30.98 ? 48 VAL L HG13 1 ATOM 4291 H HG21 . VAL B 2 50 ? 26.997 -66.295 21.171 1.00 34.16 ? 48 VAL L HG21 1 ATOM 4292 H HG22 . VAL B 2 50 ? 28.170 -67.300 20.878 1.00 34.16 ? 48 VAL L HG22 1 ATOM 4293 H HG23 . VAL B 2 50 ? 28.161 -65.883 20.197 1.00 34.16 ? 48 VAL L HG23 1 ATOM 4294 N N . PHE B 2 51 ? 26.879 -69.657 17.132 1.00 28.49 ? 49 PHE L N 1 ATOM 4295 C CA . PHE B 2 51 ? 26.020 -70.361 16.185 1.00 32.18 ? 49 PHE L CA 1 ATOM 4296 C C . PHE B 2 51 ? 25.193 -71.420 16.904 1.00 33.82 ? 49 PHE L C 1 ATOM 4297 O O . PHE B 2 51 ? 25.503 -71.800 18.032 1.00 36.65 ? 49 PHE L O 1 ATOM 4298 C CB . PHE B 2 51 ? 26.843 -70.994 15.059 1.00 33.99 ? 49 PHE L CB 1 ATOM 4299 C CG . PHE B 2 51 ? 27.696 -72.150 15.500 1.00 32.73 ? 49 PHE L CG 1 ATOM 4300 C CD1 . PHE B 2 51 ? 27.274 -73.452 15.300 1.00 31.48 ? 49 PHE L CD1 1 ATOM 4301 C CD2 . PHE B 2 51 ? 28.922 -71.934 16.108 1.00 35.77 ? 49 PHE L CD2 1 ATOM 4302 C CE1 . PHE B 2 51 ? 28.058 -74.521 15.700 1.00 36.06 ? 49 PHE L CE1 1 ATOM 4303 C CE2 . PHE B 2 51 ? 29.709 -72.997 16.511 1.00 38.79 ? 49 PHE L CE2 1 ATOM 4304 C CZ . PHE B 2 51 ? 29.276 -74.293 16.307 1.00 39.62 ? 49 PHE L CZ 1 ATOM 4305 H H . PHE B 2 51 ? 27.301 -70.172 17.675 1.00 34.19 ? 49 PHE L H 1 ATOM 4306 H HA . PHE B 2 51 ? 25.400 -69.719 15.781 1.00 38.61 ? 49 PHE L HA 1 ATOM 4307 H HB2 . PHE B 2 51 ? 26.237 -71.318 14.374 1.00 40.79 ? 49 PHE L HB2 1 ATOM 4308 H HB3 . PHE B 2 51 ? 27.430 -70.319 14.685 1.00 40.79 ? 49 PHE L HB3 1 ATOM 4309 H HD1 . PHE B 2 51 ? 26.454 -73.612 14.892 1.00 37.78 ? 49 PHE L HD1 1 ATOM 4310 H HD2 . PHE B 2 51 ? 29.218 -71.063 16.248 1.00 42.92 ? 49 PHE L HD2 1 ATOM 4311 H HE1 . PHE B 2 51 ? 27.763 -75.392 15.562 1.00 43.27 ? 49 PHE L HE1 1 ATOM 4312 H HE2 . PHE B 2 51 ? 30.530 -72.840 16.919 1.00 46.55 ? 49 PHE L HE2 1 ATOM 4313 H HZ . PHE B 2 51 ? 29.804 -75.009 16.577 1.00 47.54 ? 49 PHE L HZ 1 ATOM 4314 N N . ASP B 2 52 ? 24.139 -71.887 16.242 1.00 33.39 ? 50 ASP L N 1 ATOM 4315 C CA . ASP B 2 52 ? 23.212 -72.844 16.838 1.00 35.44 ? 50 ASP L CA 1 ATOM 4316 C C . ASP B 2 52 ? 22.726 -72.341 18.192 1.00 35.28 ? 50 ASP L C 1 ATOM 4317 O O . ASP B 2 52 ? 22.695 -73.087 19.172 1.00 37.14 ? 50 ASP L O 1 ATOM 4318 C CB . ASP B 2 52 ? 23.864 -74.220 16.983 1.00 41.93 ? 50 ASP L CB 1 ATOM 4319 C CG . ASP B 2 52 ? 24.163 -74.867 15.645 1.00 51.96 ? 50 ASP L CG 1 ATOM 4320 O OD1 . ASP B 2 52 ? 23.539 -74.468 14.639 1.00 51.18 ? 50 ASP L OD1 1 ATOM 4321 O OD2 . ASP B 2 52 ? 25.019 -75.775 15.598 1.00 61.36 ? 50 ASP L OD2 1 ATOM 4322 H H . ASP B 2 52 ? 23.936 -71.662 15.437 1.00 40.07 ? 50 ASP L H 1 ATOM 4323 H HA . ASP B 2 52 ? 22.432 -72.938 16.252 1.00 42.53 ? 50 ASP L HA 1 ATOM 4324 H HB2 . ASP B 2 52 ? 24.700 -74.125 17.465 1.00 50.32 ? 50 ASP L HB2 1 ATOM 4325 H HB3 . ASP B 2 52 ? 23.263 -74.805 17.471 1.00 50.32 ? 50 ASP L HB3 1 ATOM 4326 N N . VAL B 2 53 ? 22.364 -71.063 18.232 1.00 32.50 ? 51 VAL L N 1 ATOM 4327 C CA . VAL B 2 53 ? 21.786 -70.437 19.419 1.00 33.12 ? 51 VAL L CA 1 ATOM 4328 C C . VAL B 2 53 ? 22.818 -70.147 20.510 1.00 35.03 ? 51 VAL L C 1 ATOM 4329 O O . VAL B 2 53 ? 22.977 -68.999 20.920 1.00 41.00 ? 51 VAL L O 1 ATOM 4330 C CB . VAL B 2 53 ? 20.642 -71.291 20.019 1.00 34.02 ? 51 VAL L CB 1 ATOM 4331 C CG1 . VAL B 2 53 ? 19.992 -70.561 21.185 1.00 32.58 ? 51 VAL L CG1 1 ATOM 4332 C CG2 . VAL B 2 53 ? 19.607 -71.618 18.952 1.00 35.01 ? 51 VAL L CG2 1 ATOM 4333 H H . VAL B 2 53 ? 22.445 -70.523 17.567 1.00 38.99 ? 51 VAL L H 1 ATOM 4334 H HA . VAL B 2 53 ? 21.397 -69.578 19.152 1.00 39.74 ? 51 VAL L HA 1 ATOM 4335 H HB . VAL B 2 53 ? 21.012 -72.134 20.354 1.00 40.83 ? 51 VAL L HB 1 ATOM 4336 H HG11 . VAL B 2 53 ? 19.287 -71.108 21.541 1.00 39.10 ? 51 VAL L HG11 1 ATOM 4337 H HG12 . VAL B 2 53 ? 20.654 -70.399 21.861 1.00 39.10 ? 51 VAL L HG12 1 ATOM 4338 H HG13 . VAL B 2 53 ? 19.633 -69.728 20.871 1.00 39.10 ? 51 VAL L HG13 1 ATOM 4339 H HG21 . VAL B 2 53 ? 18.909 -72.146 19.346 1.00 42.02 ? 51 VAL L HG21 1 ATOM 4340 H HG22 . VAL B 2 53 ? 19.244 -70.798 18.608 1.00 42.02 ? 51 VAL L HG22 1 ATOM 4341 H HG23 . VAL B 2 53 ? 20.032 -72.110 18.245 1.00 42.02 ? 51 VAL L HG23 1 ATOM 4342 N N . SER B 2 54 ? 23.521 -71.178 20.973 1.00 30.59 ? 52 SER L N 1 ATOM 4343 C CA . SER B 2 54 ? 24.361 -71.041 22.159 1.00 33.83 ? 52 SER L CA 1 ATOM 4344 C C . SER B 2 54 ? 25.742 -71.682 22.035 1.00 38.06 ? 52 SER L C 1 ATOM 4345 O O . SER B 2 54 ? 26.431 -71.865 23.040 1.00 39.18 ? 52 SER L O 1 ATOM 4346 C CB . SER B 2 54 ? 23.642 -71.651 23.362 1.00 33.04 ? 52 SER L CB 1 ATOM 4347 O OG . SER B 2 54 ? 23.460 -73.046 23.181 1.00 33.00 ? 52 SER L OG 1 ATOM 4348 H H . SER B 2 54 ? 23.528 -71.963 20.622 1.00 36.71 ? 52 SER L H 1 ATOM 4349 H HA . SER B 2 54 ? 24.491 -70.087 22.342 1.00 40.59 ? 52 SER L HA 1 ATOM 4350 H HB2 . SER B 2 54 ? 24.176 -71.503 24.158 1.00 39.64 ? 52 SER L HB2 1 ATOM 4351 H HB3 . SER B 2 54 ? 22.775 -71.229 23.460 1.00 39.64 ? 52 SER L HB3 1 ATOM 4352 H HG . SER B 2 54 ? 23.074 -73.365 23.831 1.00 39.60 ? 52 SER L HG 1 ATOM 4353 N N . HIS B 2 55 ? 26.154 -72.024 20.819 1.00 37.32 ? 53 HIS L N 1 ATOM 4354 C CA . HIS B 2 55 ? 27.475 -72.615 20.617 1.00 40.47 ? 53 HIS L CA 1 ATOM 4355 C C . HIS B 2 55 ? 28.480 -71.570 20.143 1.00 36.76 ? 53 HIS L C 1 ATOM 4356 O O . HIS B 2 55 ? 28.119 -70.603 19.475 1.00 36.20 ? 53 HIS L O 1 ATOM 4357 C CB . HIS B 2 55 ? 27.409 -73.775 19.621 1.00 49.79 ? 53 HIS L CB 1 ATOM 4358 C CG . HIS B 2 55 ? 26.664 -74.969 20.134 1.00 60.34 ? 53 HIS L CG 1 ATOM 4359 N ND1 . HIS B 2 55 ? 25.290 -75.060 20.100 1.00 65.12 ? 53 HIS L ND1 1 ATOM 4360 C CD2 . HIS B 2 55 ? 27.104 -76.118 20.698 1.00 63.89 ? 53 HIS L CD2 1 ATOM 4361 C CE1 . HIS B 2 55 ? 24.914 -76.216 20.619 1.00 67.01 ? 53 HIS L CE1 1 ATOM 4362 N NE2 . HIS B 2 55 ? 25.996 -76.876 20.989 1.00 66.55 ? 53 HIS L NE2 1 ATOM 4363 H H . HIS B 2 55 ? 25.693 -71.926 20.099 1.00 44.78 ? 53 HIS L H 1 ATOM 4364 H HA . HIS B 2 55 ? 27.794 -72.972 21.472 1.00 48.57 ? 53 HIS L HA 1 ATOM 4365 H HB2 . HIS B 2 55 ? 26.963 -73.471 18.816 1.00 59.75 ? 53 HIS L HB2 1 ATOM 4366 H HB3 . HIS B 2 55 ? 28.312 -74.058 19.410 1.00 59.75 ? 53 HIS L HB3 1 ATOM 4367 H HD2 . HIS B 2 55 ? 27.990 -76.352 20.857 1.00 76.67 ? 53 HIS L HD2 1 ATOM 4368 H HE1 . HIS B 2 55 ? 24.038 -76.513 20.708 1.00 80.41 ? 53 HIS L HE1 1 ATOM 4369 H HE2 . HIS B 2 55 ? 26.005 -77.655 21.353 1.00 79.86 ? 53 HIS L HE2 1 ATOM 4370 N N . ARG B 2 56 ? 29.743 -71.771 20.503 1.00 34.19 ? 54 ARG L N 1 ATOM 4371 C CA . ARG B 2 56 ? 30.814 -70.865 20.108 1.00 31.78 ? 54 ARG L CA 1 ATOM 4372 C C . ARG B 2 56 ? 31.814 -71.578 19.212 1.00 31.52 ? 54 ARG L C 1 ATOM 4373 O O . ARG B 2 56 ? 32.204 -72.711 19.495 1.00 34.21 ? 54 ARG L O 1 ATOM 4374 C CB . ARG B 2 56 ? 31.556 -70.350 21.340 1.00 36.86 ? 54 ARG L CB 1 ATOM 4375 C CG . ARG B 2 56 ? 30.795 -69.348 22.174 1.00 44.61 ? 54 ARG L CG 1 ATOM 4376 C CD . ARG B 2 56 ? 31.587 -68.995 23.421 1.00 56.51 ? 54 ARG L CD 1 ATOM 4377 N NE . ARG B 2 56 ? 31.727 -70.138 24.320 1.00 69.09 ? 54 ARG L NE 1 ATOM 4378 C CZ . ARG B 2 56 ? 30.829 -70.492 25.237 1.00 75.76 ? 54 ARG L CZ 1 ATOM 4379 N NH1 . ARG B 2 56 ? 29.708 -69.797 25.390 1.00 72.32 ? 54 ARG L NH1 1 ATOM 4380 N NH2 . ARG B 2 56 ? 31.052 -71.551 26.004 1.00 83.78 ? 54 ARG L NH2 1 ATOM 4381 H H . ARG B 2 56 ? 30.009 -72.434 20.982 1.00 41.03 ? 54 ARG L H 1 ATOM 4382 H HA . ARG B 2 56 ? 30.441 -70.101 19.621 1.00 38.13 ? 54 ARG L HA 1 ATOM 4383 H HB2 . ARG B 2 56 ? 31.766 -71.106 21.911 1.00 44.23 ? 54 ARG L HB2 1 ATOM 4384 H HB3 . ARG B 2 56 ? 32.378 -69.925 21.050 1.00 44.23 ? 54 ARG L HB3 1 ATOM 4385 H HG2 . ARG B 2 56 ? 30.655 -68.538 21.658 1.00 53.54 ? 54 ARG L HG2 1 ATOM 4386 H HG3 . ARG B 2 56 ? 29.946 -69.730 22.445 1.00 53.54 ? 54 ARG L HG3 1 ATOM 4387 H HD2 . ARG B 2 56 ? 32.475 -68.703 23.163 1.00 67.81 ? 54 ARG L HD2 1 ATOM 4388 H HD3 . ARG B 2 56 ? 31.128 -68.287 23.900 1.00 67.81 ? 54 ARG L HD3 1 ATOM 4389 H HE . ARG B 2 56 ? 32.439 -70.615 24.253 1.00 82.91 ? 54 ARG L HE 1 ATOM 4390 H HH11 . ARG B 2 56 ? 29.557 -69.109 24.896 1.00 86.78 ? 54 ARG L HH11 1 ATOM 4391 H HH12 . ARG B 2 56 ? 29.133 -70.033 25.985 1.00 86.78 ? 54 ARG L HH12 1 ATOM 4392 H HH21 . ARG B 2 56 ? 31.776 -72.005 25.910 1.00 100.54 ? 54 ARG L HH21 1 ATOM 4393 H HH22 . ARG B 2 56 ? 30.473 -71.781 26.597 1.00 100.54 ? 54 ARG L HH22 1 ATOM 4394 N N . PRO B 2 57 ? 32.247 -70.915 18.132 1.00 30.66 ? 55 PRO L N 1 ATOM 4395 C CA . PRO B 2 57 ? 33.310 -71.501 17.310 1.00 36.01 ? 55 PRO L CA 1 ATOM 4396 C C . PRO B 2 57 ? 34.656 -71.433 18.023 1.00 40.87 ? 55 PRO L C 1 ATOM 4397 O O . PRO B 2 57 ? 34.830 -70.617 18.929 1.00 36.91 ? 55 PRO L O 1 ATOM 4398 C CB . PRO B 2 57 ? 33.309 -70.624 16.055 1.00 33.30 ? 55 PRO L CB 1 ATOM 4399 C CG . PRO B 2 57 ? 32.749 -69.325 16.496 1.00 29.85 ? 55 PRO L CG 1 ATOM 4400 C CD . PRO B 2 57 ? 31.774 -69.627 17.598 1.00 28.02 ? 55 PRO L CD 1 ATOM 4401 H HA . PRO B 2 57 ? 33.100 -72.429 17.072 1.00 43.21 ? 55 PRO L HA 1 ATOM 4402 H HB2 . PRO B 2 57 ? 34.217 -70.514 15.731 1.00 39.96 ? 55 PRO L HB2 1 ATOM 4403 H HB3 . PRO B 2 57 ? 32.748 -71.027 15.374 1.00 39.96 ? 55 PRO L HB3 1 ATOM 4404 H HG2 . PRO B 2 57 ? 33.466 -68.760 16.824 1.00 35.82 ? 55 PRO L HG2 1 ATOM 4405 H HG3 . PRO B 2 57 ? 32.296 -68.900 15.751 1.00 35.82 ? 55 PRO L HG3 1 ATOM 4406 H HD2 . PRO B 2 57 ? 31.816 -68.941 18.283 1.00 33.63 ? 55 PRO L HD2 1 ATOM 4407 H HD3 . PRO B 2 57 ? 30.877 -69.718 17.240 1.00 33.63 ? 55 PRO L HD3 1 ATOM 4408 N N . SER B 2 58 ? 35.590 -72.287 17.622 1.00 48.33 ? 56 SER L N 1 ATOM 4409 C CA . SER B 2 58 ? 36.918 -72.300 18.220 1.00 52.78 ? 56 SER L CA 1 ATOM 4410 C C . SER B 2 58 ? 37.551 -70.914 18.150 1.00 45.89 ? 56 SER L C 1 ATOM 4411 O O . SER B 2 58 ? 37.572 -70.285 17.093 1.00 45.71 ? 56 SER L O 1 ATOM 4412 C CB . SER B 2 58 ? 37.811 -73.318 17.508 1.00 61.55 ? 56 SER L CB 1 ATOM 4413 O OG . SER B 2 58 ? 39.139 -73.265 18.000 1.00 69.08 ? 56 SER L OG 1 ATOM 4414 H H . SER B 2 58 ? 35.479 -72.872 17.001 1.00 58.00 ? 56 SER L H 1 ATOM 4415 H HA . SER B 2 58 ? 36.847 -72.559 19.163 1.00 63.33 ? 56 SER L HA 1 ATOM 4416 H HB2 . SER B 2 58 ? 37.455 -74.207 17.657 1.00 73.86 ? 56 SER L HB2 1 ATOM 4417 H HB3 . SER B 2 58 ? 37.819 -73.119 16.558 1.00 73.86 ? 56 SER L HB3 1 ATOM 4418 H HG . SER B 2 58 ? 39.604 -73.815 17.609 1.00 82.90 ? 56 SER L HG 1 ATOM 4419 N N . GLY B 2 59 ? 38.053 -70.439 19.285 1.00 43.89 ? 57 GLY L N 1 ATOM 4420 C CA . GLY B 2 59 ? 38.736 -69.159 19.336 1.00 47.83 ? 57 GLY L CA 1 ATOM 4421 C C . GLY B 2 59 ? 37.930 -68.066 20.014 1.00 46.16 ? 57 GLY L C 1 ATOM 4422 O O . GLY B 2 59 ? 38.499 -67.109 20.543 1.00 52.27 ? 57 GLY L O 1 ATOM 4423 H H . GLY B 2 59 ? 38.010 -70.844 20.042 1.00 52.66 ? 57 GLY L H 1 ATOM 4424 H HA2 . GLY B 2 59 ? 39.571 -69.263 19.818 1.00 57.40 ? 57 GLY L HA2 1 ATOM 4425 H HA3 . GLY B 2 59 ? 38.940 -68.870 18.433 1.00 57.40 ? 57 GLY L HA3 1 ATOM 4426 N N . ILE B 2 60 ? 36.606 -68.199 20.005 1.00 37.39 ? 58 ILE L N 1 ATOM 4427 C CA . ILE B 2 60 ? 35.740 -67.196 20.620 1.00 33.61 ? 58 ILE L CA 1 ATOM 4428 C C . ILE B 2 60 ? 35.729 -67.328 22.137 1.00 36.16 ? 58 ILE L C 1 ATOM 4429 O O . ILE B 2 60 ? 35.579 -68.425 22.680 1.00 35.15 ? 58 ILE L O 1 ATOM 4430 C CB . ILE B 2 60 ? 34.288 -67.295 20.118 1.00 33.31 ? 58 ILE L CB 1 ATOM 4431 C CG1 . ILE B 2 60 ? 34.237 -67.143 18.597 1.00 39.07 ? 58 ILE L CG1 1 ATOM 4432 C CG2 . ILE B 2 60 ? 33.414 -66.239 20.796 1.00 25.01 ? 58 ILE L CG2 1 ATOM 4433 C CD1 . ILE B 2 60 ? 34.765 -65.823 18.095 1.00 42.29 ? 58 ILE L CD1 1 ATOM 4434 H H . ILE B 2 60 ? 36.185 -68.860 19.650 1.00 44.87 ? 58 ILE L H 1 ATOM 4435 H HA . ILE B 2 60 ? 36.078 -66.304 20.396 1.00 40.33 ? 58 ILE L HA 1 ATOM 4436 H HB . ILE B 2 60 ? 33.943 -68.172 20.349 1.00 39.97 ? 58 ILE L HB 1 ATOM 4437 H HG12 . ILE B 2 60 ? 34.771 -67.847 18.196 1.00 46.88 ? 58 ILE L HG12 1 ATOM 4438 H HG13 . ILE B 2 60 ? 33.316 -67.223 18.306 1.00 46.88 ? 58 ILE L HG13 1 ATOM 4439 H HG21 . ILE B 2 60 ? 32.516 -66.320 20.468 1.00 30.01 ? 58 ILE L HG21 1 ATOM 4440 H HG22 . ILE B 2 60 ? 33.431 -66.383 21.745 1.00 30.01 ? 58 ILE L HG22 1 ATOM 4441 H HG23 . ILE B 2 60 ? 33.761 -65.368 20.590 1.00 30.01 ? 58 ILE L HG23 1 ATOM 4442 H HD11 . ILE B 2 60 ? 34.700 -65.805 17.137 1.00 50.75 ? 58 ILE L HD11 1 ATOM 4443 H HD12 . ILE B 2 60 ? 34.240 -65.113 18.472 1.00 50.75 ? 58 ILE L HD12 1 ATOM 4444 H HD13 . ILE B 2 60 ? 35.682 -65.731 18.363 1.00 50.75 ? 58 ILE L HD13 1 ATOM 4445 N N . SER B 2 61 ? 35.878 -66.191 22.809 1.00 37.70 ? 59 SER L N 1 ATOM 4446 C CA . SER B 2 61 ? 35.892 -66.134 24.263 1.00 40.40 ? 59 SER L CA 1 ATOM 4447 C C . SER B 2 61 ? 34.595 -66.662 24.872 1.00 37.74 ? 59 SER L C 1 ATOM 4448 O O . SER B 2 61 ? 33.517 -66.505 24.298 1.00 34.49 ? 59 SER L O 1 ATOM 4449 C CB . SER B 2 61 ? 36.117 -64.691 24.712 1.00 44.84 ? 59 SER L CB 1 ATOM 4450 O OG . SER B 2 61 ? 35.994 -64.570 26.116 1.00 48.84 ? 59 SER L OG 1 ATOM 4451 H H . SER B 2 61 ? 35.975 -65.423 22.434 1.00 45.24 ? 59 SER L H 1 ATOM 4452 H HA . SER B 2 61 ? 36.633 -66.680 24.600 1.00 48.48 ? 59 SER L HA 1 ATOM 4453 H HB2 . SER B 2 61 ? 37.008 -64.415 24.449 1.00 53.81 ? 59 SER L HB2 1 ATOM 4454 H HB3 . SER B 2 61 ? 35.455 -64.123 24.288 1.00 53.81 ? 59 SER L HB3 1 ATOM 4455 H HG . SER B 2 61 ? 36.117 -63.791 26.342 1.00 58.60 ? 59 SER L HG 1 ATOM 4456 N N . ASN B 2 62 ? 34.707 -67.280 26.045 1.00 40.85 ? 60 ASN L N 1 ATOM 4457 C CA . ASN B 2 62 ? 33.540 -67.794 26.754 1.00 48.90 ? 60 ASN L CA 1 ATOM 4458 C C . ASN B 2 62 ? 32.622 -66.669 27.239 1.00 38.76 ? 60 ASN L C 1 ATOM 4459 O O . ASN B 2 62 ? 31.510 -66.922 27.704 1.00 36.04 ? 60 ASN L O 1 ATOM 4460 C CB . ASN B 2 62 ? 33.976 -68.668 27.934 1.00 71.27 ? 60 ASN L CB 1 ATOM 4461 C CG . ASN B 2 62 ? 34.789 -67.902 28.961 1.00 92.40 ? 60 ASN L CG 1 ATOM 4462 O OD1 . ASN B 2 62 ? 34.584 -66.707 29.167 1.00 99.00 ? 60 ASN L OD1 1 ATOM 4463 N ND2 . ASN B 2 62 ? 35.721 -68.590 29.610 1.00 102.46 ? 60 ASN L ND2 1 ATOM 4464 H H . ASN B 2 62 ? 35.452 -67.414 26.453 1.00 49.02 ? 60 ASN L H 1 ATOM 4465 H HA . ASN B 2 62 ? 33.023 -68.357 26.141 1.00 58.69 ? 60 ASN L HA 1 ATOM 4466 H HB2 . ASN B 2 62 ? 33.187 -69.019 28.376 1.00 85.52 ? 60 ASN L HB2 1 ATOM 4467 H HB3 . ASN B 2 62 ? 34.522 -69.398 27.603 1.00 85.52 ? 60 ASN L HB3 1 ATOM 4468 H HD21 . ASN B 2 62 ? 35.837 -69.424 29.438 1.00 122.95 ? 60 ASN L HD21 1 ATOM 4469 H HD22 . ASN B 2 62 ? 36.208 -68.201 30.202 1.00 122.95 ? 60 ASN L HD22 1 ATOM 4470 N N . ARG B 2 63 ? 33.097 -65.430 27.132 1.00 36.29 ? 61 ARG L N 1 ATOM 4471 C CA . ARG B 2 63 ? 32.296 -64.259 27.481 1.00 37.32 ? 61 ARG L CA 1 ATOM 4472 C C . ARG B 2 63 ? 31.002 -64.208 26.680 1.00 35.87 ? 61 ARG L C 1 ATOM 4473 O O . ARG B 2 63 ? 29.972 -63.754 27.177 1.00 36.80 ? 61 ARG L O 1 ATOM 4474 C CB . ARG B 2 63 ? 33.087 -62.975 27.222 1.00 42.32 ? 61 ARG L CB 1 ATOM 4475 C CG . ARG B 2 63 ? 34.275 -62.766 28.150 1.00 54.77 ? 61 ARG L CG 1 ATOM 4476 C CD . ARG B 2 63 ? 34.860 -61.370 27.997 1.00 62.49 ? 61 ARG L CD 1 ATOM 4477 N NE . ARG B 2 63 ? 34.606 -60.800 26.674 1.00 62.30 ? 61 ARG L NE 1 ATOM 4478 C CZ . ARG B 2 63 ? 35.486 -60.745 25.676 1.00 62.59 ? 61 ARG L CZ 1 ATOM 4479 N NH1 . ARG B 2 63 ? 36.718 -61.219 25.813 1.00 68.63 ? 61 ARG L NH1 1 ATOM 4480 N NH2 . ARG B 2 63 ? 35.127 -60.202 24.524 1.00 58.21 ? 61 ARG L NH2 1 ATOM 4481 H H . ARG B 2 63 ? 33.889 -65.240 26.857 1.00 43.55 ? 61 ARG L H 1 ATOM 4482 H HA . ARG B 2 63 ? 32.068 -64.294 28.433 1.00 44.78 ? 61 ARG L HA 1 ATOM 4483 H HB2 . ARG B 2 63 ? 33.424 -62.996 26.313 1.00 50.78 ? 61 ARG L HB2 1 ATOM 4484 H HB3 . ARG B 2 63 ? 32.492 -62.217 27.332 1.00 50.78 ? 61 ARG L HB3 1 ATOM 4485 H HG2 . ARG B 2 63 ? 33.987 -62.877 29.069 1.00 65.73 ? 61 ARG L HG2 1 ATOM 4486 H HG3 . ARG B 2 63 ? 34.967 -63.411 27.934 1.00 65.73 ? 61 ARG L HG3 1 ATOM 4487 H HD2 . ARG B 2 63 ? 34.460 -60.784 28.659 1.00 74.99 ? 61 ARG L HD2 1 ATOM 4488 H HD3 . ARG B 2 63 ? 35.820 -61.412 28.127 1.00 74.99 ? 61 ARG L HD3 1 ATOM 4489 H HE . ARG B 2 63 ? 33.823 -60.474 26.528 1.00 74.76 ? 61 ARG L HE 1 ATOM 4490 H HH11 . ARG B 2 63 ? 36.962 -61.574 26.557 1.00 82.36 ? 61 ARG L HH11 1 ATOM 4491 H HH12 . ARG B 2 63 ? 37.272 -61.174 25.157 1.00 82.36 ? 61 ARG L HH12 1 ATOM 4492 H HH21 . ARG B 2 63 ? 34.331 -59.890 24.424 1.00 69.85 ? 61 ARG L HH21 1 ATOM 4493 H HH22 . ARG B 2 63 ? 35.689 -60.161 23.874 1.00 69.85 ? 61 ARG L HH22 1 ATOM 4494 N N . PHE B 2 64 ? 31.063 -64.666 25.434 1.00 34.64 ? 62 PHE L N 1 ATOM 4495 C CA . PHE B 2 64 ? 29.902 -64.640 24.556 1.00 31.87 ? 62 PHE L CA 1 ATOM 4496 C C . PHE B 2 64 ? 29.035 -65.868 24.780 1.00 35.20 ? 62 PHE L C 1 ATOM 4497 O O . PHE B 2 64 ? 29.535 -66.986 24.883 1.00 41.20 ? 62 PHE L O 1 ATOM 4498 C CB . PHE B 2 64 ? 30.338 -64.568 23.092 1.00 28.75 ? 62 PHE L CB 1 ATOM 4499 C CG . PHE B 2 64 ? 31.042 -63.290 22.734 1.00 28.21 ? 62 PHE L CG 1 ATOM 4500 C CD1 . PHE B 2 64 ? 32.398 -63.139 22.974 1.00 29.25 ? 62 PHE L CD1 1 ATOM 4501 C CD2 . PHE B 2 64 ? 30.346 -62.237 22.161 1.00 27.57 ? 62 PHE L CD2 1 ATOM 4502 C CE1 . PHE B 2 64 ? 33.048 -61.962 22.649 1.00 30.40 ? 62 PHE L CE1 1 ATOM 4503 C CE2 . PHE B 2 64 ? 30.990 -61.057 21.834 1.00 28.42 ? 62 PHE L CE2 1 ATOM 4504 C CZ . PHE B 2 64 ? 32.343 -60.919 22.078 1.00 29.31 ? 62 PHE L CZ 1 ATOM 4505 H H . PHE B 2 64 ? 31.769 -64.998 25.073 1.00 41.56 ? 62 PHE L H 1 ATOM 4506 H HA . PHE B 2 64 ? 29.364 -63.845 24.755 1.00 38.24 ? 62 PHE L HA 1 ATOM 4507 H HB2 . PHE B 2 64 ? 30.946 -65.302 22.910 1.00 34.50 ? 62 PHE L HB2 1 ATOM 4508 H HB3 . PHE B 2 64 ? 29.553 -64.643 22.527 1.00 34.50 ? 62 PHE L HB3 1 ATOM 4509 H HD1 . PHE B 2 64 ? 32.877 -63.837 23.359 1.00 35.10 ? 62 PHE L HD1 1 ATOM 4510 H HD2 . PHE B 2 64 ? 29.435 -62.324 21.996 1.00 33.09 ? 62 PHE L HD2 1 ATOM 4511 H HE1 . PHE B 2 64 ? 33.959 -61.872 22.814 1.00 36.48 ? 62 PHE L HE1 1 ATOM 4512 H HE2 . PHE B 2 64 ? 30.513 -60.357 21.449 1.00 34.10 ? 62 PHE L HE2 1 ATOM 4513 H HZ . PHE B 2 64 ? 32.778 -60.128 21.857 1.00 35.17 ? 62 PHE L HZ 1 ATOM 4514 N N . SER B 2 65 ? 27.729 -65.649 24.867 1.00 31.97 ? 63 SER L N 1 ATOM 4515 C CA . SER B 2 65 ? 26.784 -66.742 25.025 1.00 34.22 ? 63 SER L CA 1 ATOM 4516 C C . SER B 2 65 ? 25.432 -66.325 24.475 1.00 34.66 ? 63 SER L C 1 ATOM 4517 O O . SER B 2 65 ? 25.080 -65.147 24.500 1.00 35.41 ? 63 SER L O 1 ATOM 4518 C CB . SER B 2 65 ? 26.653 -67.134 26.497 1.00 37.43 ? 63 SER L CB 1 ATOM 4519 O OG . SER B 2 65 ? 26.005 -66.116 27.240 1.00 40.80 ? 63 SER L OG 1 ATOM 4520 H H . SER B 2 65 ? 27.364 -64.871 24.838 1.00 38.36 ? 63 SER L H 1 ATOM 4521 H HA . SER B 2 65 ? 27.098 -67.522 24.521 1.00 41.07 ? 63 SER L HA 1 ATOM 4522 H HB2 . SER B 2 65 ? 26.132 -67.950 26.560 1.00 44.91 ? 63 SER L HB2 1 ATOM 4523 H HB3 . SER B 2 65 ? 27.538 -67.277 26.865 1.00 44.91 ? 63 SER L HB3 1 ATOM 4524 H HG . SER B 2 65 ? 25.942 -66.340 28.026 1.00 48.97 ? 63 SER L HG 1 ATOM 4525 N N . GLY B 2 66 ? 24.678 -67.293 23.972 1.00 37.94 ? 64 GLY L N 1 ATOM 4526 C CA . GLY B 2 66 ? 23.361 -67.017 23.435 1.00 38.67 ? 64 GLY L CA 1 ATOM 4527 C C . GLY B 2 66 ? 22.309 -67.954 23.989 1.00 38.28 ? 64 GLY L C 1 ATOM 4528 O O . GLY B 2 66 ? 22.622 -69.043 24.466 1.00 37.21 ? 64 GLY L O 1 ATOM 4529 H H . GLY B 2 66 ? 24.910 -68.120 23.930 1.00 45.53 ? 64 GLY L H 1 ATOM 4530 H HA2 . GLY B 2 66 ? 23.107 -66.107 23.653 1.00 46.41 ? 64 GLY L HA2 1 ATOM 4531 H HA3 . GLY B 2 66 ? 23.379 -67.110 22.470 1.00 46.41 ? 64 GLY L HA3 1 ATOM 4532 N N . SER B 2 67 ? 21.056 -67.518 23.930 1.00 37.65 ? 65 SER L N 1 ATOM 4533 C CA . SER B 2 67 ? 19.933 -68.351 24.336 1.00 39.87 ? 65 SER L CA 1 ATOM 4534 C C . SER B 2 67 ? 18.731 -68.047 23.454 1.00 41.77 ? 65 SER L C 1 ATOM 4535 O O . SER B 2 67 ? 18.735 -67.074 22.700 1.00 42.31 ? 65 SER L O 1 ATOM 4536 C CB . SER B 2 67 ? 19.582 -68.111 25.806 1.00 45.12 ? 65 SER L CB 1 ATOM 4537 O OG . SER B 2 67 ? 18.955 -66.851 25.999 1.00 52.28 ? 65 SER L OG 1 ATOM 4538 H H . SER B 2 67 ? 20.828 -66.736 23.655 1.00 45.18 ? 65 SER L H 1 ATOM 4539 H HA . SER B 2 67 ? 20.170 -69.295 24.224 1.00 47.84 ? 65 SER L HA 1 ATOM 4540 H HB2 . SER B 2 67 ? 18.977 -68.810 26.101 1.00 54.15 ? 65 SER L HB2 1 ATOM 4541 H HB3 . SER B 2 67 ? 20.397 -68.138 26.331 1.00 54.15 ? 65 SER L HB3 1 ATOM 4542 H HG . SER B 2 67 ? 18.886 -66.460 25.282 1.00 62.73 ? 65 SER L HG 1 ATOM 4543 N N . LYS B 2 68 ? 17.703 -68.882 23.549 1.00 44.47 ? 66 LYS L N 1 ATOM 4544 C CA . LYS B 2 68 ? 16.497 -68.684 22.761 1.00 42.87 ? 66 LYS L CA 1 ATOM 4545 C C . LYS B 2 68 ? 15.261 -69.039 23.572 1.00 42.01 ? 66 LYS L C 1 ATOM 4546 O O . LYS B 2 68 ? 15.302 -69.901 24.450 1.00 41.17 ? 66 LYS L O 1 ATOM 4547 C CB . LYS B 2 68 ? 16.542 -69.528 21.485 1.00 45.47 ? 66 LYS L CB 1 ATOM 4548 C CG . LYS B 2 68 ? 15.365 -69.288 20.553 1.00 49.30 ? 66 LYS L CG 1 ATOM 4549 C CD . LYS B 2 68 ? 14.640 -70.574 20.207 1.00 50.61 ? 66 LYS L CD 1 ATOM 4550 C CE . LYS B 2 68 ? 15.386 -71.364 19.149 1.00 48.05 ? 66 LYS L CE 1 ATOM 4551 N NZ . LYS B 2 68 ? 14.523 -72.406 18.535 1.00 50.00 ? 66 LYS L NZ 1 ATOM 4552 H H . LYS B 2 68 ? 17.680 -69.571 24.063 1.00 53.36 ? 66 LYS L H 1 ATOM 4553 H HA . LYS B 2 68 ? 16.433 -67.741 22.503 1.00 51.45 ? 66 LYS L HA 1 ATOM 4554 H HB2 . LYS B 2 68 ? 17.354 -69.316 20.998 1.00 54.57 ? 66 LYS L HB2 1 ATOM 4555 H HB3 . LYS B 2 68 ? 16.540 -70.466 21.730 1.00 54.57 ? 66 LYS L HB3 1 ATOM 4556 H HG2 . LYS B 2 68 ? 14.733 -68.692 20.985 1.00 59.15 ? 66 LYS L HG2 1 ATOM 4557 H HG3 . LYS B 2 68 ? 15.687 -68.892 19.729 1.00 59.15 ? 66 LYS L HG3 1 ATOM 4558 H HD2 . LYS B 2 68 ? 14.567 -71.125 21.002 1.00 60.73 ? 66 LYS L HD2 1 ATOM 4559 H HD3 . LYS B 2 68 ? 13.758 -70.362 19.863 1.00 60.73 ? 66 LYS L HD3 1 ATOM 4560 H HE2 . LYS B 2 68 ? 15.680 -70.761 18.448 1.00 57.66 ? 66 LYS L HE2 1 ATOM 4561 H HE3 . LYS B 2 68 ? 16.150 -71.802 19.556 1.00 57.66 ? 66 LYS L HE3 1 ATOM 4562 H HZ1 . LYS B 2 68 ? 14.243 -72.975 19.160 1.00 60.00 ? 66 LYS L HZ1 1 ATOM 4563 H HZ2 . LYS B 2 68 ? 13.815 -72.027 18.151 1.00 60.00 ? 66 LYS L HZ2 1 ATOM 4564 H HZ3 . LYS B 2 68 ? 14.980 -72.856 17.919 1.00 60.00 ? 66 LYS L HZ3 1 ATOM 4565 N N . SER B 2 69 ? 14.162 -68.358 23.272 1.00 40.50 ? 67 SER L N 1 ATOM 4566 C CA . SER B 2 69 ? 12.886 -68.635 23.907 1.00 42.93 ? 67 SER L CA 1 ATOM 4567 C C . SER B 2 69 ? 11.758 -68.212 22.984 1.00 38.11 ? 67 SER L C 1 ATOM 4568 O O . SER B 2 69 ? 11.635 -67.036 22.645 1.00 40.60 ? 67 SER L O 1 ATOM 4569 C CB . SER B 2 69 ? 12.796 -67.873 25.221 1.00 49.63 ? 67 SER L CB 1 ATOM 4570 O OG . SER B 2 69 ? 11.541 -68.046 25.843 1.00 57.48 ? 67 SER L OG 1 ATOM 4571 H H . SER B 2 69 ? 14.132 -67.722 22.694 1.00 48.60 ? 67 SER L H 1 ATOM 4572 H HA . SER B 2 69 ? 12.805 -69.595 24.090 1.00 51.52 ? 67 SER L HA 1 ATOM 4573 H HB2 . SER B 2 69 ? 13.488 -68.198 25.819 1.00 59.56 ? 67 SER L HB2 1 ATOM 4574 H HB3 . SER B 2 69 ? 12.930 -66.929 25.045 1.00 59.56 ? 67 SER L HB3 1 ATOM 4575 H HG . SER B 2 69 ? 11.516 -67.627 26.547 1.00 68.98 ? 67 SER L HG 1 ATOM 4576 N N . GLY B 2 70 ? 10.936 -69.172 22.575 1.00 35.94 ? 68 GLY L N 1 ATOM 4577 C CA . GLY B 2 70 ? 9.867 -68.897 21.636 1.00 38.86 ? 68 GLY L CA 1 ATOM 4578 C C . GLY B 2 70 ? 10.425 -68.378 20.324 1.00 37.12 ? 68 GLY L C 1 ATOM 4579 O O . GLY B 2 70 ? 11.210 -69.058 19.664 1.00 38.29 ? 68 GLY L O 1 ATOM 4580 H H . GLY B 2 70 ? 10.980 -69.993 22.829 1.00 43.13 ? 68 GLY L H 1 ATOM 4581 H HA2 . GLY B 2 70 ? 9.364 -69.708 21.463 1.00 46.63 ? 68 GLY L HA2 1 ATOM 4582 H HA3 . GLY B 2 70 ? 9.268 -68.230 22.006 1.00 46.63 ? 68 GLY L HA3 1 ATOM 4583 N N . ASN B 2 71 ? 10.036 -67.161 19.959 1.00 35.02 ? 69 ASN L N 1 ATOM 4584 C CA . ASN B 2 71 ? 10.444 -66.574 18.687 1.00 35.14 ? 69 ASN L CA 1 ATOM 4585 C C . ASN B 2 71 ? 11.538 -65.518 18.837 1.00 37.67 ? 69 ASN L C 1 ATOM 4586 O O . ASN B 2 71 ? 11.891 -64.846 17.869 1.00 40.99 ? 69 ASN L O 1 ATOM 4587 C CB . ASN B 2 71 ? 9.232 -65.964 17.979 1.00 34.66 ? 69 ASN L CB 1 ATOM 4588 C CG . ASN B 2 71 ? 8.195 -67.004 17.598 1.00 40.88 ? 69 ASN L CG 1 ATOM 4589 O OD1 . ASN B 2 71 ? 8.525 -68.164 17.355 1.00 42.24 ? 69 ASN L OD1 1 ATOM 4590 N ND2 . ASN B 2 71 ? 6.934 -66.591 17.542 1.00 45.97 ? 69 ASN L ND2 1 ATOM 4591 H H . ASN B 2 71 ? 9.532 -66.650 20.433 1.00 42.02 ? 69 ASN L H 1 ATOM 4592 H HA . ASN B 2 71 ? 10.796 -67.286 18.114 1.00 42.16 ? 69 ASN L HA 1 ATOM 4593 H HB2 . ASN B 2 71 ? 8.809 -65.322 18.571 1.00 41.59 ? 69 ASN L HB2 1 ATOM 4594 H HB3 . ASN B 2 71 ? 9.528 -65.523 17.167 1.00 41.59 ? 69 ASN L HB3 1 ATOM 4595 H HD21 . ASN B 2 71 ? 6.741 -65.772 17.718 1.00 55.17 ? 69 ASN L HD21 1 ATOM 4596 H HD22 . ASN B 2 71 ? 6.310 -67.144 17.331 1.00 55.17 ? 69 ASN L HD22 1 ATOM 4597 N N . THR B 2 72 ? 12.075 -65.375 20.046 1.00 37.89 ? 70 THR L N 1 ATOM 4598 C CA . THR B 2 72 ? 13.149 -64.416 20.288 1.00 41.02 ? 70 THR L CA 1 ATOM 4599 C C . THR B 2 72 ? 14.420 -65.114 20.747 1.00 40.50 ? 70 THR L C 1 ATOM 4600 O O . THR B 2 72 ? 14.375 -66.063 21.528 1.00 45.22 ? 70 THR L O 1 ATOM 4601 C CB . THR B 2 72 ? 12.761 -63.376 21.353 1.00 46.49 ? 70 THR L CB 1 ATOM 4602 O OG1 . THR B 2 72 ? 12.708 -63.999 22.644 1.00 58.43 ? 70 THR L OG1 1 ATOM 4603 C CG2 . THR B 2 72 ? 11.415 -62.753 21.027 1.00 43.97 ? 70 THR L CG2 1 ATOM 4604 H H . THR B 2 72 ? 11.836 -65.820 20.742 1.00 45.47 ? 70 THR L H 1 ATOM 4605 H HA . THR B 2 72 ? 13.347 -63.940 19.454 1.00 49.22 ? 70 THR L HA 1 ATOM 4606 H HB . THR B 2 72 ? 13.426 -62.670 21.367 1.00 55.79 ? 70 THR L HB 1 ATOM 4607 H HG1 . THR B 2 72 ? 12.151 -64.600 22.642 1.00 70.12 ? 70 THR L HG1 1 ATOM 4608 H HG21 . THR B 2 72 ? 11.182 -62.106 21.697 1.00 52.76 ? 70 THR L HG21 1 ATOM 4609 H HG22 . THR B 2 72 ? 11.453 -62.318 20.173 1.00 52.76 ? 70 THR L HG22 1 ATOM 4610 H HG23 . THR B 2 72 ? 10.737 -63.433 21.001 1.00 52.76 ? 70 THR L HG23 1 ATOM 4611 N N . ALA B 2 73 ? 15.554 -64.631 20.254 1.00 36.51 ? 71 ALA L N 1 ATOM 4612 C CA . ALA B 2 73 ? 16.853 -65.141 20.662 1.00 32.47 ? 71 ALA L CA 1 ATOM 4613 C C . ALA B 2 73 ? 17.642 -63.993 21.267 1.00 29.34 ? 71 ALA L C 1 ATOM 4614 O O . ALA B 2 73 ? 17.269 -62.832 21.110 1.00 29.54 ? 71 ALA L O 1 ATOM 4615 C CB . ALA B 2 73 ? 17.591 -65.730 19.470 1.00 31.82 ? 71 ALA L CB 1 ATOM 4616 H H . ALA B 2 73 ? 15.596 -63.998 19.674 1.00 43.82 ? 71 ALA L H 1 ATOM 4617 H HA . ALA B 2 73 ? 16.739 -65.840 21.340 1.00 38.97 ? 71 ALA L HA 1 ATOM 4618 H HB1 . ALA B 2 73 ? 18.444 -66.060 19.763 1.00 38.18 ? 71 ALA L HB1 1 ATOM 4619 H HB2 . ALA B 2 73 ? 17.070 -66.449 19.104 1.00 38.18 ? 71 ALA L HB2 1 ATOM 4620 H HB3 . ALA B 2 73 ? 17.714 -65.045 18.810 1.00 38.18 ? 71 ALA L HB3 1 ATOM 4621 N N . SER B 2 74 ? 18.728 -64.308 21.963 1.00 25.86 ? 72 SER L N 1 ATOM 4622 C CA . SER B 2 74 ? 19.532 -63.264 22.581 1.00 27.64 ? 72 SER L CA 1 ATOM 4623 C C . SER B 2 74 ? 21.014 -63.616 22.640 1.00 26.47 ? 72 SER L C 1 ATOM 4624 O O . SER B 2 74 ? 21.388 -64.777 22.799 1.00 28.54 ? 72 SER L O 1 ATOM 4625 C CB . SER B 2 74 ? 19.015 -62.958 23.991 1.00 29.39 ? 72 SER L CB 1 ATOM 4626 O OG . SER B 2 74 ? 19.088 -64.103 24.822 1.00 36.87 ? 72 SER L OG 1 ATOM 4627 H H . SER B 2 74 ? 19.017 -65.107 22.090 1.00 31.04 ? 72 SER L H 1 ATOM 4628 H HA . SER B 2 74 ? 19.444 -62.445 22.050 1.00 33.17 ? 72 SER L HA 1 ATOM 4629 H HB2 . SER B 2 74 ? 19.556 -62.253 24.380 1.00 35.27 ? 72 SER L HB2 1 ATOM 4630 H HB3 . SER B 2 74 ? 18.090 -62.671 23.932 1.00 35.27 ? 72 SER L HB3 1 ATOM 4631 H HG . SER B 2 74 ? 18.808 -63.925 25.571 1.00 44.25 ? 72 SER L HG 1 ATOM 4632 N N . LEU B 2 75 ? 21.847 -62.590 22.504 1.00 26.42 ? 73 LEU L N 1 ATOM 4633 C CA . LEU B 2 75 ? 23.286 -62.713 22.678 1.00 27.41 ? 73 LEU L CA 1 ATOM 4634 C C . LEU B 2 75 ? 23.671 -61.942 23.933 1.00 28.94 ? 73 LEU L C 1 ATOM 4635 O O . LEU B 2 75 ? 23.263 -60.798 24.113 1.00 33.16 ? 73 LEU L O 1 ATOM 4636 C CB . LEU B 2 75 ? 24.019 -62.134 21.465 1.00 28.05 ? 73 LEU L CB 1 ATOM 4637 C CG . LEU B 2 75 ? 25.550 -62.168 21.492 1.00 29.90 ? 73 LEU L CG 1 ATOM 4638 C CD1 . LEU B 2 75 ? 26.065 -63.564 21.168 1.00 30.47 ? 73 LEU L CD1 1 ATOM 4639 C CD2 . LEU B 2 75 ? 26.132 -61.139 20.526 1.00 27.31 ? 73 LEU L CD2 1 ATOM 4640 H H . LEU B 2 75 ? 21.594 -61.792 22.305 1.00 31.70 ? 73 LEU L H 1 ATOM 4641 H HA . LEU B 2 75 ? 23.535 -63.655 22.787 1.00 32.89 ? 73 LEU L HA 1 ATOM 4642 H HB2 . LEU B 2 75 ? 23.737 -62.627 20.679 1.00 33.66 ? 73 LEU L HB2 1 ATOM 4643 H HB3 . LEU B 2 75 ? 23.757 -61.205 21.370 1.00 33.66 ? 73 LEU L HB3 1 ATOM 4644 H HG . LEU B 2 75 ? 25.853 -61.941 22.385 1.00 35.88 ? 73 LEU L HG 1 ATOM 4645 H HD11 . LEU B 2 75 ? 27.024 -63.556 21.192 1.00 36.57 ? 73 LEU L HD11 1 ATOM 4646 H HD12 . LEU B 2 75 ? 25.725 -64.181 21.820 1.00 36.57 ? 73 LEU L HD12 1 ATOM 4647 H HD13 . LEU B 2 75 ? 25.761 -63.813 20.292 1.00 36.57 ? 73 LEU L HD13 1 ATOM 4648 H HD21 . LEU B 2 75 ? 27.091 -61.183 20.564 1.00 32.77 ? 73 LEU L HD21 1 ATOM 4649 H HD22 . LEU B 2 75 ? 25.830 -61.340 19.638 1.00 32.77 ? 73 LEU L HD22 1 ATOM 4650 H HD23 . LEU B 2 75 ? 25.834 -60.265 20.785 1.00 32.77 ? 73 LEU L HD23 1 ATOM 4651 N N . THR B 2 76 ? 24.447 -62.573 24.806 1.00 28.41 ? 74 THR L N 1 ATOM 4652 C CA . THR B 2 76 ? 24.918 -61.910 26.013 1.00 32.41 ? 74 THR L CA 1 ATOM 4653 C C . THR B 2 76 ? 26.440 -61.850 26.027 1.00 32.11 ? 74 THR L C 1 ATOM 4654 O O . THR B 2 76 ? 27.119 -62.842 25.758 1.00 31.79 ? 74 THR L O 1 ATOM 4655 C CB . THR B 2 76 ? 24.425 -62.624 27.290 1.00 35.48 ? 74 THR L CB 1 ATOM 4656 O OG1 . THR B 2 76 ? 23.000 -62.506 27.390 1.00 39.02 ? 74 THR L OG1 1 ATOM 4657 C CG2 . THR B 2 76 ? 25.061 -62.012 28.526 1.00 32.07 ? 74 THR L CG2 1 ATOM 4658 H H . THR B 2 76 ? 24.714 -63.386 24.722 1.00 34.09 ? 74 THR L H 1 ATOM 4659 H HA . THR B 2 76 ? 24.577 -60.991 26.027 1.00 38.89 ? 74 THR L HA 1 ATOM 4660 H HB . THR B 2 76 ? 24.670 -63.562 27.251 1.00 42.57 ? 74 THR L HB 1 ATOM 4661 H HG1 . THR B 2 76 ? 22.734 -62.884 28.067 1.00 46.83 ? 74 THR L HG1 1 ATOM 4662 H HG21 . THR B 2 76 ? 24.748 -62.463 29.314 1.00 38.49 ? 74 THR L HG21 1 ATOM 4663 H HG22 . THR B 2 76 ? 26.017 -62.094 28.478 1.00 38.49 ? 74 THR L HG22 1 ATOM 4664 H HG23 . THR B 2 76 ? 24.831 -61.082 28.587 1.00 38.49 ? 74 THR L HG23 1 ATOM 4665 N N . ILE B 2 77 ? 26.963 -60.667 26.327 1.00 31.06 ? 75 ILE L N 1 ATOM 4666 C CA . ILE B 2 77 ? 28.394 -60.481 26.509 1.00 32.43 ? 75 ILE L CA 1 ATOM 4667 C C . ILE B 2 77 ? 28.645 -60.086 27.956 1.00 36.33 ? 75 ILE L C 1 ATOM 4668 O O . ILE B 2 77 ? 28.406 -58.943 28.347 1.00 39.22 ? 75 ILE L O 1 ATOM 4669 C CB . ILE B 2 77 ? 28.943 -59.379 25.589 1.00 28.82 ? 75 ILE L CB 1 ATOM 4670 C CG1 . ILE B 2 77 ? 28.475 -59.605 24.150 1.00 29.02 ? 75 ILE L CG1 1 ATOM 4671 C CG2 . ILE B 2 77 ? 30.462 -59.343 25.663 1.00 28.76 ? 75 ILE L CG2 1 ATOM 4672 C CD1 . ILE B 2 77 ? 28.851 -58.484 23.201 1.00 29.96 ? 75 ILE L CD1 1 ATOM 4673 H H . ILE B 2 77 ? 26.503 -59.948 26.431 1.00 37.28 ? 75 ILE L H 1 ATOM 4674 H HA . ILE B 2 77 ? 28.868 -61.318 26.321 1.00 38.92 ? 75 ILE L HA 1 ATOM 4675 H HB . ILE B 2 77 ? 28.600 -58.525 25.893 1.00 34.59 ? 75 ILE L HB 1 ATOM 4676 H HG12 . ILE B 2 77 ? 28.875 -60.423 23.816 1.00 34.83 ? 75 ILE L HG12 1 ATOM 4677 H HG13 . ILE B 2 77 ? 27.508 -59.687 24.145 1.00 34.83 ? 75 ILE L HG13 1 ATOM 4678 H HG21 . ILE B 2 77 ? 30.786 -58.650 25.082 1.00 34.51 ? 75 ILE L HG21 1 ATOM 4679 H HG22 . ILE B 2 77 ? 30.726 -59.162 26.568 1.00 34.51 ? 75 ILE L HG22 1 ATOM 4680 H HG23 . ILE B 2 77 ? 30.808 -60.193 25.383 1.00 34.51 ? 75 ILE L HG23 1 ATOM 4681 H HD11 . ILE B 2 77 ? 28.525 -58.696 22.323 1.00 35.95 ? 75 ILE L HD11 1 ATOM 4682 H HD12 . ILE B 2 77 ? 28.453 -57.667 23.510 1.00 35.95 ? 75 ILE L HD12 1 ATOM 4683 H HD13 . ILE B 2 77 ? 29.807 -58.397 23.184 1.00 35.95 ? 75 ILE L HD13 1 ATOM 4684 N N . SER B 2 78 ? 29.114 -61.038 28.753 1.00 38.33 ? 76 SER L N 1 ATOM 4685 C CA . SER B 2 78 ? 29.333 -60.800 30.174 1.00 41.31 ? 76 SER L CA 1 ATOM 4686 C C . SER B 2 78 ? 30.774 -60.376 30.435 1.00 39.74 ? 76 SER L C 1 ATOM 4687 O O . SER B 2 78 ? 31.654 -61.215 30.623 1.00 40.03 ? 76 SER L O 1 ATOM 4688 C CB . SER B 2 78 ? 28.984 -62.051 30.988 1.00 46.22 ? 76 SER L CB 1 ATOM 4689 O OG . SER B 2 78 ? 29.780 -63.163 30.614 1.00 50.40 ? 76 SER L OG 1 ATOM 4690 H H . SER B 2 78 ? 29.315 -61.834 28.495 1.00 45.99 ? 76 SER L H 1 ATOM 4691 H HA . SER B 2 78 ? 28.745 -60.074 30.470 1.00 49.57 ? 76 SER L HA 1 ATOM 4692 H HB2 . SER B 2 78 ? 29.132 -61.863 31.928 1.00 55.47 ? 76 SER L HB2 1 ATOM 4693 H HB3 . SER B 2 78 ? 28.051 -62.271 30.840 1.00 55.47 ? 76 SER L HB3 1 ATOM 4694 H HG . SER B 2 78 ? 30.300 -62.948 30.018 1.00 60.48 ? 76 SER L HG 1 ATOM 4695 N N . GLY B 2 79 ? 31.005 -59.067 30.440 1.00 37.45 ? 77 GLY L N 1 ATOM 4696 C CA . GLY B 2 79 ? 32.335 -58.526 30.643 1.00 35.98 ? 77 GLY L CA 1 ATOM 4697 C C . GLY B 2 79 ? 32.884 -57.925 29.366 1.00 34.47 ? 77 GLY L C 1 ATOM 4698 O O . GLY B 2 79 ? 33.807 -58.468 28.761 1.00 35.63 ? 77 GLY L O 1 ATOM 4699 H H . GLY B 2 79 ? 30.399 -58.468 30.327 1.00 44.94 ? 77 GLY L H 1 ATOM 4700 H HA2 . GLY B 2 79 ? 32.308 -57.837 31.324 1.00 43.18 ? 77 GLY L HA2 1 ATOM 4701 H HA3 . GLY B 2 79 ? 32.934 -59.231 30.937 1.00 43.18 ? 77 GLY L HA3 1 ATOM 4702 N N . LEU B 2 80 ? 32.312 -56.796 28.961 1.00 31.89 ? 78 LEU L N 1 ATOM 4703 C CA . LEU B 2 80 ? 32.733 -56.118 27.744 1.00 29.14 ? 78 LEU L CA 1 ATOM 4704 C C . LEU B 2 80 ? 34.227 -55.813 27.762 1.00 29.88 ? 78 LEU L C 1 ATOM 4705 O O . LEU B 2 80 ? 34.756 -55.278 28.738 1.00 30.47 ? 78 LEU L O 1 ATOM 4706 C CB . LEU B 2 80 ? 31.956 -54.809 27.561 1.00 29.32 ? 78 LEU L CB 1 ATOM 4707 C CG . LEU B 2 80 ? 30.450 -54.899 27.310 1.00 26.45 ? 78 LEU L CG 1 ATOM 4708 C CD1 . LEU B 2 80 ? 29.828 -53.515 27.380 1.00 21.15 ? 78 LEU L CD1 1 ATOM 4709 C CD2 . LEU B 2 80 ? 30.171 -55.539 25.964 1.00 27.30 ? 78 LEU L CD2 1 ATOM 4710 H H . LEU B 2 80 ? 31.672 -56.401 29.378 1.00 38.27 ? 78 LEU L H 1 ATOM 4711 H HA . LEU B 2 80 ? 32.547 -56.694 26.973 1.00 34.97 ? 78 LEU L HA 1 ATOM 4712 H HB2 . LEU B 2 80 ? 32.077 -54.276 28.362 1.00 35.19 ? 78 LEU L HB2 1 ATOM 4713 H HB3 . LEU B 2 80 ? 32.340 -54.337 26.806 1.00 35.19 ? 78 LEU L HB3 1 ATOM 4714 H HG . LEU B 2 80 ? 30.044 -55.450 27.998 1.00 31.74 ? 78 LEU L HG 1 ATOM 4715 H HD11 . LEU B 2 80 ? 28.884 -53.588 27.220 1.00 25.38 ? 78 LEU L HD11 1 ATOM 4716 H HD12 . LEU B 2 80 ? 29.985 -53.146 28.252 1.00 25.38 ? 78 LEU L HD12 1 ATOM 4717 H HD13 . LEU B 2 80 ? 30.231 -52.957 26.710 1.00 25.38 ? 78 LEU L HD13 1 ATOM 4718 H HD21 . LEU B 2 80 ? 29.221 -55.583 25.831 1.00 32.76 ? 78 LEU L HD21 1 ATOM 4719 H HD22 . LEU B 2 80 ? 30.573 -55.005 25.275 1.00 32.76 ? 78 LEU L HD22 1 ATOM 4720 H HD23 . LEU B 2 80 ? 30.545 -56.423 25.955 1.00 32.76 ? 78 LEU L HD23 1 ATOM 4721 N N . HIS B 2 81 ? 34.901 -56.185 26.679 1.00 29.11 ? 79 HIS L N 1 ATOM 4722 C CA . HIS B 2 81 ? 36.241 -55.697 26.394 1.00 35.40 ? 79 HIS L CA 1 ATOM 4723 C C . HIS B 2 81 ? 36.091 -54.609 25.338 1.00 32.27 ? 79 HIS L C 1 ATOM 4724 O O . HIS B 2 81 ? 35.054 -54.522 24.681 1.00 29.08 ? 79 HIS L O 1 ATOM 4725 C CB . HIS B 2 81 ? 37.136 -56.822 25.870 1.00 43.58 ? 79 HIS L CB 1 ATOM 4726 C CG . HIS B 2 81 ? 37.496 -57.844 26.904 1.00 48.45 ? 79 HIS L CG 1 ATOM 4727 N ND1 . HIS B 2 81 ? 36.579 -58.367 27.790 1.00 47.65 ? 79 HIS L ND1 1 ATOM 4728 C CD2 . HIS B 2 81 ? 38.677 -58.443 27.189 1.00 50.86 ? 79 HIS L CD2 1 ATOM 4729 C CE1 . HIS B 2 81 ? 37.179 -59.242 28.577 1.00 47.97 ? 79 HIS L CE1 1 ATOM 4730 N NE2 . HIS B 2 81 ? 38.452 -59.308 28.233 1.00 49.73 ? 79 HIS L NE2 1 ATOM 4731 H H . HIS B 2 81 ? 34.596 -56.728 26.086 1.00 34.93 ? 79 HIS L H 1 ATOM 4732 H HA . HIS B 2 81 ? 36.642 -55.312 27.201 1.00 42.48 ? 79 HIS L HA 1 ATOM 4733 H HB2 . HIS B 2 81 ? 36.673 -57.279 25.151 1.00 52.29 ? 79 HIS L HB2 1 ATOM 4734 H HB3 . HIS B 2 81 ? 37.961 -56.435 25.537 1.00 52.29 ? 79 HIS L HB3 1 ATOM 4735 H HD1 . HIS B 2 81 ? 35.746 -58.156 27.825 1.00 57.18 ? 79 HIS L HD1 1 ATOM 4736 H HD2 . HIS B 2 81 ? 39.488 -58.297 26.759 1.00 61.04 ? 79 HIS L HD2 1 ATOM 4737 H HE1 . HIS B 2 81 ? 36.774 -59.730 29.258 1.00 57.57 ? 79 HIS L HE1 1 ATOM 4738 N N . ILE B 2 82 ? 37.113 -53.776 25.177 1.00 30.87 ? 80 ILE L N 1 ATOM 4739 C CA . ILE B 2 82 ? 37.062 -52.702 24.189 1.00 32.83 ? 80 ILE L CA 1 ATOM 4740 C C . ILE B 2 82 ? 36.872 -53.229 22.766 1.00 33.94 ? 80 ILE L C 1 ATOM 4741 O O . ILE B 2 82 ? 36.282 -52.548 21.928 1.00 36.80 ? 80 ILE L O 1 ATOM 4742 C CB . ILE B 2 82 ? 38.332 -51.823 24.229 1.00 34.89 ? 80 ILE L CB 1 ATOM 4743 C CG1 . ILE B 2 82 ? 39.587 -52.671 23.992 1.00 38.07 ? 80 ILE L CG1 1 ATOM 4744 C CG2 . ILE B 2 82 ? 38.419 -51.074 25.555 1.00 33.70 ? 80 ILE L CG2 1 ATOM 4745 C CD1 . ILE B 2 82 ? 40.870 -51.861 23.941 1.00 40.09 ? 80 ILE L CD1 1 ATOM 4746 H H . ILE B 2 82 ? 37.845 -53.810 25.626 1.00 37.05 ? 80 ILE L H 1 ATOM 4747 H HA . ILE B 2 82 ? 36.297 -52.125 24.396 1.00 39.39 ? 80 ILE L HA 1 ATOM 4748 H HB . ILE B 2 82 ? 38.270 -51.169 23.515 1.00 41.87 ? 80 ILE L HB 1 ATOM 4749 H HG12 . ILE B 2 82 ? 39.670 -53.314 24.713 1.00 45.68 ? 80 ILE L HG12 1 ATOM 4750 H HG13 . ILE B 2 82 ? 39.495 -53.136 23.146 1.00 45.68 ? 80 ILE L HG13 1 ATOM 4751 H HG21 . ILE B 2 82 ? 39.213 -50.536 25.558 1.00 40.44 ? 80 ILE L HG21 1 ATOM 4752 H HG22 . ILE B 2 82 ? 37.644 -50.516 25.649 1.00 40.44 ? 80 ILE L HG22 1 ATOM 4753 H HG23 . ILE B 2 82 ? 38.452 -51.712 26.272 1.00 40.44 ? 80 ILE L HG23 1 ATOM 4754 H HD11 . ILE B 2 82 ? 41.609 -52.456 23.790 1.00 48.11 ? 80 ILE L HD11 1 ATOM 4755 H HD12 . ILE B 2 82 ? 40.810 -51.226 23.223 1.00 48.11 ? 80 ILE L HD12 1 ATOM 4756 H HD13 . ILE B 2 82 ? 40.983 -51.403 24.776 1.00 48.11 ? 80 ILE L HD13 1 ATOM 4757 N N . GLU B 2 83 ? 37.361 -54.437 22.496 1.00 32.26 ? 81 GLU L N 1 ATOM 4758 C CA . GLU B 2 83 ? 37.288 -55.004 21.147 1.00 32.48 ? 81 GLU L CA 1 ATOM 4759 C C . GLU B 2 83 ? 35.917 -55.597 20.829 1.00 31.89 ? 81 GLU L C 1 ATOM 4760 O O . GLU B 2 83 ? 35.711 -56.140 19.745 1.00 31.71 ? 81 GLU L O 1 ATOM 4761 C CB . GLU B 2 83 ? 38.373 -56.067 20.931 1.00 34.13 ? 81 GLU L CB 1 ATOM 4762 C CG . GLU B 2 83 ? 38.219 -57.334 21.774 1.00 39.31 ? 81 GLU L CG 1 ATOM 4763 C CD . GLU B 2 83 ? 39.003 -57.279 23.075 1.00 49.54 ? 81 GLU L CD 1 ATOM 4764 O OE1 . GLU B 2 83 ? 39.365 -58.356 23.598 1.00 51.91 ? 81 GLU L OE1 1 ATOM 4765 O OE2 . GLU B 2 83 ? 39.258 -56.163 23.577 1.00 54.31 ? 81 GLU L OE2 1 ATOM 4766 H H . GLU B 2 83 ? 37.739 -54.950 23.073 1.00 38.71 ? 81 GLU L H 1 ATOM 4767 H HA . GLU B 2 83 ? 37.451 -54.284 20.502 1.00 38.98 ? 81 GLU L HA 1 ATOM 4768 H HB2 . GLU B 2 83 ? 38.361 -56.334 19.998 1.00 40.96 ? 81 GLU L HB2 1 ATOM 4769 H HB3 . GLU B 2 83 ? 39.234 -55.676 21.146 1.00 40.96 ? 81 GLU L HB3 1 ATOM 4770 H HG2 . GLU B 2 83 ? 37.282 -57.454 21.994 1.00 47.17 ? 81 GLU L HG2 1 ATOM 4771 H HG3 . GLU B 2 83 ? 38.539 -58.093 21.263 1.00 47.17 ? 81 GLU L HG3 1 ATOM 4772 N N . ASP B 2 84 ? 34.983 -55.493 21.769 1.00 34.43 ? 82 ASP L N 1 ATOM 4773 C CA . ASP B 2 84 ? 33.624 -55.971 21.541 1.00 36.66 ? 82 ASP L CA 1 ATOM 4774 C C . ASP B 2 84 ? 32.800 -54.921 20.807 1.00 34.71 ? 82 ASP L C 1 ATOM 4775 O O . ASP B 2 84 ? 31.707 -55.205 20.318 1.00 34.92 ? 82 ASP L O 1 ATOM 4776 C CB . ASP B 2 84 ? 32.954 -56.328 22.868 1.00 40.27 ? 82 ASP L CB 1 ATOM 4777 C CG . ASP B 2 84 ? 33.653 -57.463 23.584 1.00 42.69 ? 82 ASP L CG 1 ATOM 4778 O OD1 . ASP B 2 84 ? 34.364 -58.241 22.912 1.00 42.99 ? 82 ASP L OD1 1 ATOM 4779 O OD2 . ASP B 2 84 ? 33.492 -57.581 24.816 1.00 43.11 ? 82 ASP L OD2 1 ATOM 4780 H H . ASP B 2 84 ? 35.111 -55.150 22.547 1.00 41.31 ? 82 ASP L H 1 ATOM 4781 H HA . ASP B 2 84 ? 33.656 -56.779 20.987 1.00 43.99 ? 82 ASP L HA 1 ATOM 4782 H HB2 . ASP B 2 84 ? 32.968 -55.552 23.449 1.00 48.33 ? 82 ASP L HB2 1 ATOM 4783 H HB3 . ASP B 2 84 ? 32.038 -56.599 22.697 1.00 48.33 ? 82 ASP L HB3 1 ATOM 4784 N N . GLU B 2 85 ? 33.334 -53.708 20.729 1.00 35.16 ? 83 GLU L N 1 ATOM 4785 C CA . GLU B 2 85 ? 32.651 -52.612 20.057 1.00 40.63 ? 83 GLU L CA 1 ATOM 4786 C C . GLU B 2 85 ? 32.435 -52.944 18.585 1.00 38.33 ? 83 GLU L C 1 ATOM 4787 O O . GLU B 2 85 ? 33.314 -53.507 17.931 1.00 41.50 ? 83 GLU L O 1 ATOM 4788 C CB . GLU B 2 85 ? 33.472 -51.329 20.192 1.00 49.15 ? 83 GLU L CB 1 ATOM 4789 C CG . GLU B 2 85 ? 32.671 -50.049 20.054 1.00 57.03 ? 83 GLU L CG 1 ATOM 4790 C CD . GLU B 2 85 ? 33.268 -48.906 20.855 1.00 62.49 ? 83 GLU L CD 1 ATOM 4791 O OE1 . GLU B 2 85 ? 32.500 -48.032 21.308 1.00 64.01 ? 83 GLU L OE1 1 ATOM 4792 O OE2 . GLU B 2 85 ? 34.503 -48.883 21.038 1.00 63.80 ? 83 GLU L OE2 1 ATOM 4793 H H . GLU B 2 85 ? 34.097 -53.492 21.062 1.00 42.20 ? 83 GLU L H 1 ATOM 4794 H HA . GLU B 2 85 ? 31.777 -52.466 20.474 1.00 48.76 ? 83 GLU L HA 1 ATOM 4795 H HB2 . GLU B 2 85 ? 33.891 -51.321 21.067 1.00 58.98 ? 83 GLU L HB2 1 ATOM 4796 H HB3 . GLU B 2 85 ? 34.155 -51.324 19.503 1.00 58.98 ? 83 GLU L HB3 1 ATOM 4797 H HG2 . GLU B 2 85 ? 32.653 -49.785 19.120 1.00 68.43 ? 83 GLU L HG2 1 ATOM 4798 H HG3 . GLU B 2 85 ? 31.769 -50.203 20.374 1.00 68.43 ? 83 GLU L HG3 1 ATOM 4799 N N . GLY B 2 86 ? 31.260 -52.595 18.070 1.00 32.26 ? 84 GLY L N 1 ATOM 4800 C CA . GLY B 2 86 ? 30.936 -52.840 16.677 1.00 30.33 ? 84 GLY L CA 1 ATOM 4801 C C . GLY B 2 86 ? 29.453 -53.064 16.464 1.00 28.85 ? 84 GLY L C 1 ATOM 4802 O O . GLY B 2 86 ? 28.642 -52.797 17.351 1.00 29.29 ? 84 GLY L O 1 ATOM 4803 H H . GLY B 2 86 ? 30.631 -52.212 18.514 1.00 38.71 ? 84 GLY L H 1 ATOM 4804 H HA2 . GLY B 2 86 ? 31.212 -52.080 16.142 1.00 36.40 ? 84 GLY L HA2 1 ATOM 4805 H HA3 . GLY B 2 86 ? 31.414 -53.625 16.367 1.00 36.40 ? 84 GLY L HA3 1 ATOM 4806 N N . ASP B 2 87 ? 29.098 -53.555 15.281 1.00 27.34 ? 85 ASP L N 1 ATOM 4807 C CA . ASP B 2 87 ? 27.702 -53.828 14.954 1.00 29.37 ? 85 ASP L CA 1 ATOM 4808 C C . ASP B 2 87 ? 27.428 -55.323 15.017 1.00 29.35 ? 85 ASP L C 1 ATOM 4809 O O . ASP B 2 87 ? 28.209 -56.130 14.513 1.00 32.46 ? 85 ASP L O 1 ATOM 4810 C CB . ASP B 2 87 ? 27.357 -53.286 13.566 1.00 34.57 ? 85 ASP L CB 1 ATOM 4811 C CG . ASP B 2 87 ? 27.606 -51.793 13.445 1.00 49.48 ? 85 ASP L CG 1 ATOM 4812 O OD1 . ASP B 2 87 ? 27.598 -51.102 14.487 1.00 59.22 ? 85 ASP L OD1 1 ATOM 4813 O OD2 . ASP B 2 87 ? 27.808 -51.308 12.310 1.00 50.49 ? 85 ASP L OD2 1 ATOM 4814 H H . ASP B 2 87 ? 29.648 -53.740 14.647 1.00 32.81 ? 85 ASP L H 1 ATOM 4815 H HA . ASP B 2 87 ? 27.125 -53.383 15.609 1.00 35.24 ? 85 ASP L HA 1 ATOM 4816 H HB2 . ASP B 2 87 ? 27.905 -53.737 12.904 1.00 41.48 ? 85 ASP L HB2 1 ATOM 4817 H HB3 . ASP B 2 87 ? 26.418 -53.450 13.386 1.00 41.48 ? 85 ASP L HB3 1 ATOM 4818 N N . TYR B 2 88 ? 26.313 -55.687 15.638 1.00 25.63 ? 86 TYR L N 1 ATOM 4819 C CA . TYR B 2 88 ? 25.971 -57.088 15.822 1.00 26.12 ? 86 TYR L CA 1 ATOM 4820 C C . TYR B 2 88 ? 24.685 -57.449 15.095 1.00 28.77 ? 86 TYR L C 1 ATOM 4821 O O . TYR B 2 88 ? 23.689 -56.732 15.174 1.00 30.66 ? 86 TYR L O 1 ATOM 4822 C CB . TYR B 2 88 ? 25.857 -57.411 17.312 1.00 27.40 ? 86 TYR L CB 1 ATOM 4823 C CG . TYR B 2 88 ? 27.199 -57.485 18.001 1.00 27.02 ? 86 TYR L CG 1 ATOM 4824 C CD1 . TYR B 2 88 ? 27.862 -56.331 18.400 1.00 24.08 ? 86 TYR L CD1 1 ATOM 4825 C CD2 . TYR B 2 88 ? 27.811 -58.708 18.242 1.00 26.44 ? 86 TYR L CD2 1 ATOM 4826 C CE1 . TYR B 2 88 ? 29.093 -56.394 19.022 1.00 20.91 ? 86 TYR L CE1 1 ATOM 4827 C CE2 . TYR B 2 88 ? 29.042 -58.781 18.866 1.00 24.54 ? 86 TYR L CE2 1 ATOM 4828 C CZ . TYR B 2 88 ? 29.677 -57.621 19.255 1.00 21.71 ? 86 TYR L CZ 1 ATOM 4829 O OH . TYR B 2 88 ? 30.902 -57.688 19.876 1.00 25.92 ? 86 TYR L OH 1 ATOM 4830 H H . TYR B 2 88 ? 25.736 -55.138 15.963 1.00 30.75 ? 86 TYR L H 1 ATOM 4831 H HA . TYR B 2 88 ? 26.691 -57.640 15.450 1.00 31.35 ? 86 TYR L HA 1 ATOM 4832 H HB2 . TYR B 2 88 ? 25.335 -56.717 17.746 1.00 32.88 ? 86 TYR L HB2 1 ATOM 4833 H HB3 . TYR B 2 88 ? 25.418 -58.270 17.416 1.00 32.88 ? 86 TYR L HB3 1 ATOM 4834 H HD1 . TYR B 2 88 ? 27.471 -55.502 18.244 1.00 28.90 ? 86 TYR L HD1 1 ATOM 4835 H HD2 . TYR B 2 88 ? 27.384 -59.492 17.981 1.00 31.73 ? 86 TYR L HD2 1 ATOM 4836 H HE1 . TYR B 2 88 ? 29.524 -55.614 19.286 1.00 25.09 ? 86 TYR L HE1 1 ATOM 4837 H HE2 . TYR B 2 88 ? 29.439 -59.607 19.024 1.00 29.44 ? 86 TYR L HE2 1 ATOM 4838 H HH . TYR B 2 88 ? 30.858 -57.348 20.621 1.00 31.10 ? 86 TYR L HH 1 ATOM 4839 N N . PHE B 2 89 ? 24.724 -58.572 14.386 1.00 29.99 ? 87 PHE L N 1 ATOM 4840 C CA . PHE B 2 89 ? 23.589 -59.034 13.603 1.00 26.50 ? 87 PHE L CA 1 ATOM 4841 C C . PHE B 2 89 ? 23.258 -60.478 13.942 1.00 25.31 ? 87 PHE L C 1 ATOM 4842 O O . PHE B 2 89 ? 24.118 -61.354 13.846 1.00 25.69 ? 87 PHE L O 1 ATOM 4843 C CB . PHE B 2 89 ? 23.906 -58.941 12.111 1.00 26.26 ? 87 PHE L CB 1 ATOM 4844 C CG . PHE B 2 89 ? 24.359 -57.583 11.668 1.00 26.84 ? 87 PHE L CG 1 ATOM 4845 C CD1 . PHE B 2 89 ? 23.447 -56.654 11.196 1.00 22.81 ? 87 PHE L CD1 1 ATOM 4846 C CD2 . PHE B 2 89 ? 25.699 -57.237 11.715 1.00 29.92 ? 87 PHE L CD2 1 ATOM 4847 C CE1 . PHE B 2 89 ? 23.862 -55.402 10.783 1.00 23.97 ? 87 PHE L CE1 1 ATOM 4848 C CE2 . PHE B 2 89 ? 26.122 -55.988 11.302 1.00 29.65 ? 87 PHE L CE2 1 ATOM 4849 C CZ . PHE B 2 89 ? 25.202 -55.068 10.837 1.00 26.87 ? 87 PHE L CZ 1 ATOM 4850 H H . PHE B 2 89 ? 25.409 -59.092 14.344 1.00 35.99 ? 87 PHE L H 1 ATOM 4851 H HA . PHE B 2 89 ? 22.805 -58.477 13.795 1.00 31.80 ? 87 PHE L HA 1 ATOM 4852 H HB2 . PHE B 2 89 ? 24.614 -59.572 11.903 1.00 31.51 ? 87 PHE L HB2 1 ATOM 4853 H HB3 . PHE B 2 89 ? 23.108 -59.166 11.607 1.00 31.51 ? 87 PHE L HB3 1 ATOM 4854 H HD1 . PHE B 2 89 ? 22.544 -56.874 11.158 1.00 27.37 ? 87 PHE L HD1 1 ATOM 4855 H HD2 . PHE B 2 89 ? 26.322 -57.852 12.028 1.00 35.90 ? 87 PHE L HD2 1 ATOM 4856 H HE1 . PHE B 2 89 ? 23.241 -54.785 10.469 1.00 28.76 ? 87 PHE L HE1 1 ATOM 4857 H HE2 . PHE B 2 89 ? 27.024 -55.765 11.340 1.00 35.58 ? 87 PHE L HE2 1 ATOM 4858 H HZ . PHE B 2 89 ? 25.484 -54.226 10.559 1.00 32.25 ? 87 PHE L HZ 1 ATOM 4859 N N . CYS B 2 90 ? 22.014 -60.725 14.341 1.00 22.30 ? 88 CYS L N 1 ATOM 4860 C CA . CYS B 2 90 ? 21.534 -62.090 14.498 1.00 22.66 ? 88 CYS L CA 1 ATOM 4861 C C . CYS B 2 90 ? 21.121 -62.623 13.128 1.00 28.06 ? 88 CYS L C 1 ATOM 4862 O O . CYS B 2 90 ? 20.880 -61.850 12.201 1.00 30.61 ? 88 CYS L O 1 ATOM 4863 C CB . CYS B 2 90 ? 20.364 -62.156 15.482 1.00 17.83 ? 88 CYS L CB 1 ATOM 4864 S SG . CYS B 2 90 ? 18.892 -61.227 14.992 1.00 46.26 ? 88 CYS L SG 1 ATOM 4865 H H . CYS B 2 90 ? 21.431 -60.120 14.526 1.00 26.76 ? 88 CYS L H 1 ATOM 4866 H HA . CYS B 2 90 ? 22.259 -62.652 14.842 1.00 27.19 ? 88 CYS L HA 1 ATOM 4867 H HB2 . CYS B 2 90 ? 20.102 -63.084 15.587 1.00 21.40 ? 88 CYS L HB2 1 ATOM 4868 H HB3 . CYS B 2 90 ? 20.660 -61.804 16.336 1.00 21.40 ? 88 CYS L HB3 1 ATOM 4869 N N . SER B 2 91 ? 21.060 -63.943 13.000 1.00 28.87 ? 89 SER L N 1 ATOM 4870 C CA . SER B 2 91 ? 20.700 -64.574 11.738 1.00 29.77 ? 89 SER L CA 1 ATOM 4871 C C . SER B 2 91 ? 20.020 -65.906 12.017 1.00 29.70 ? 89 SER L C 1 ATOM 4872 O O . SER B 2 91 ? 20.361 -66.591 12.980 1.00 25.60 ? 89 SER L O 1 ATOM 4873 C CB . SER B 2 91 ? 21.946 -64.792 10.882 1.00 32.29 ? 89 SER L CB 1 ATOM 4874 O OG . SER B 2 91 ? 21.603 -65.206 9.571 1.00 35.80 ? 89 SER L OG 1 ATOM 4875 H H . SER B 2 91 ? 21.224 -64.499 13.634 1.00 34.64 ? 89 SER L H 1 ATOM 4876 H HA . SER B 2 91 ? 20.076 -63.999 11.247 1.00 35.72 ? 89 SER L HA 1 ATOM 4877 H HB2 . SER B 2 91 ? 22.441 -63.960 10.829 1.00 38.74 ? 89 SER L HB2 1 ATOM 4878 H HB3 . SER B 2 91 ? 22.495 -65.477 11.294 1.00 38.74 ? 89 SER L HB3 1 ATOM 4879 H HG . SER B 2 91 ? 22.282 -65.318 9.126 1.00 42.96 ? 89 SER L HG 1 ATOM 4880 N N . SER B 2 92 ? 19.054 -66.271 11.181 1.00 31.92 ? 90 SER L N 1 ATOM 4881 C CA . SER B 2 92 ? 18.320 -67.515 11.378 1.00 33.56 ? 90 SER L CA 1 ATOM 4882 C C . SER B 2 92 ? 18.011 -68.223 10.067 1.00 33.34 ? 90 SER L C 1 ATOM 4883 O O . SER B 2 92 ? 17.709 -67.594 9.051 1.00 27.02 ? 90 SER L O 1 ATOM 4884 C CB . SER B 2 92 ? 17.015 -67.247 12.134 1.00 33.67 ? 90 SER L CB 1 ATOM 4885 O OG . SER B 2 92 ? 16.228 -68.424 12.271 1.00 33.18 ? 90 SER L OG 1 ATOM 4886 H H . SER B 2 92 ? 18.806 -65.817 10.494 1.00 38.31 ? 90 SER L H 1 ATOM 4887 H HA . SER B 2 92 ? 18.865 -68.119 11.924 1.00 40.27 ? 90 SER L HA 1 ATOM 4888 H HB2 . SER B 2 92 ? 17.230 -66.911 13.018 1.00 40.40 ? 90 SER L HB2 1 ATOM 4889 H HB3 . SER B 2 92 ? 16.502 -66.584 11.646 1.00 40.40 ? 90 SER L HB3 1 ATOM 4890 H HG . SER B 2 92 ? 16.608 -69.059 11.918 1.00 39.82 ? 90 SER L HG 1 ATOM 4891 N N . LEU B 2 93 ? 18.109 -69.546 10.108 1.00 33.48 ? 91 LEU L N 1 ATOM 4892 C CA . LEU B 2 93 ? 17.602 -70.399 9.049 1.00 33.59 ? 91 LEU L CA 1 ATOM 4893 C C . LEU B 2 93 ? 16.085 -70.254 8.998 1.00 33.18 ? 91 LEU L C 1 ATOM 4894 O O . LEU B 2 93 ? 15.439 -70.083 10.034 1.00 36.84 ? 91 LEU L O 1 ATOM 4895 C CB . LEU B 2 93 ? 17.984 -71.851 9.343 1.00 35.36 ? 91 LEU L CB 1 ATOM 4896 C CG . LEU B 2 93 ? 17.391 -72.958 8.470 1.00 33.66 ? 91 LEU L CG 1 ATOM 4897 C CD1 . LEU B 2 93 ? 17.958 -72.909 7.060 1.00 27.82 ? 91 LEU L CD1 1 ATOM 4898 C CD2 . LEU B 2 93 ? 17.653 -74.314 9.113 1.00 35.67 ? 91 LEU L CD2 1 ATOM 4899 H H . LEU B 2 93 ? 18.474 -69.980 10.755 1.00 40.17 ? 91 LEU L H 1 ATOM 4900 H HA . LEU B 2 93 ? 17.982 -70.133 8.186 1.00 40.31 ? 91 LEU L HA 1 ATOM 4901 H HB2 . LEU B 2 93 ? 18.949 -71.924 9.269 1.00 42.43 ? 91 LEU L HB2 1 ATOM 4902 H HB3 . LEU B 2 93 ? 17.724 -72.047 10.257 1.00 42.43 ? 91 LEU L HB3 1 ATOM 4903 H HG . LEU B 2 93 ? 16.431 -72.834 8.411 1.00 40.40 ? 91 LEU L HG 1 ATOM 4904 H HD11 . LEU B 2 93 ? 17.565 -73.615 6.541 1.00 33.38 ? 91 LEU L HD11 1 ATOM 4905 H HD12 . LEU B 2 93 ? 17.747 -72.058 6.668 1.00 33.38 ? 91 LEU L HD12 1 ATOM 4906 H HD13 . LEU B 2 93 ? 18.910 -73.024 7.102 1.00 33.38 ? 91 LEU L HD13 1 ATOM 4907 H HD21 . LEU B 2 93 ? 17.277 -75.001 8.558 1.00 42.81 ? 91 LEU L HD21 1 ATOM 4908 H HD22 . LEU B 2 93 ? 18.601 -74.442 9.197 1.00 42.81 ? 91 LEU L HD22 1 ATOM 4909 H HD23 . LEU B 2 93 ? 17.242 -74.332 9.981 1.00 42.81 ? 91 LEU L HD23 1 ATOM 4910 N N . THR B 2 94 ? 15.520 -70.311 7.796 1.00 28.07 ? 92 THR L N 1 ATOM 4911 C CA . THR B 2 94 ? 14.073 -70.223 7.631 1.00 29.40 ? 92 THR L CA 1 ATOM 4912 C C . THR B 2 94 ? 13.506 -71.560 7.180 1.00 34.98 ? 92 THR L C 1 ATOM 4913 O O . THR B 2 94 ? 14.249 -72.449 6.767 1.00 32.01 ? 92 THR L O 1 ATOM 4914 C CB . THR B 2 94 ? 13.685 -69.169 6.589 1.00 28.58 ? 92 THR L CB 1 ATOM 4915 O OG1 . THR B 2 94 ? 13.990 -69.658 5.277 1.00 27.98 ? 92 THR L OG1 1 ATOM 4916 C CG2 . THR B 2 94 ? 14.430 -67.863 6.838 1.00 28.04 ? 92 THR L CG2 1 ATOM 4917 H H . THR B 2 94 ? 15.953 -70.400 7.058 1.00 33.69 ? 92 THR L H 1 ATOM 4918 H HA . THR B 2 94 ? 13.660 -69.982 8.487 1.00 35.28 ? 92 THR L HA 1 ATOM 4919 H HB . THR B 2 94 ? 12.733 -68.993 6.651 1.00 34.29 ? 92 THR L HB 1 ATOM 4920 H HG1 . THR B 2 94 ? 13.784 -69.098 4.714 1.00 33.58 ? 92 THR L HG1 1 ATOM 4921 H HG21 . THR B 2 94 ? 14.179 -67.212 6.179 1.00 33.64 ? 92 THR L HG21 1 ATOM 4922 H HG22 . THR B 2 94 ? 14.215 -67.524 7.710 1.00 33.64 ? 92 THR L HG22 1 ATOM 4923 H HG23 . THR B 2 94 ? 15.377 -68.011 6.785 1.00 33.64 ? 92 THR L HG23 1 ATOM 4924 N N . ASP B 2 95 ? 12.185 -71.690 7.247 1.00 40.91 ? 93 ASP L N 1 ATOM 4925 C CA . ASP B 2 95 ? 11.518 -72.935 6.876 1.00 45.76 ? 93 ASP L CA 1 ATOM 4926 C C . ASP B 2 95 ? 11.522 -73.146 5.363 1.00 44.37 ? 93 ASP L C 1 ATOM 4927 O O . ASP B 2 95 ? 11.068 -74.177 4.866 1.00 43.88 ? 93 ASP L O 1 ATOM 4928 C CB . ASP B 2 95 ? 10.086 -72.955 7.416 1.00 52.78 ? 93 ASP L CB 1 ATOM 4929 C CG . ASP B 2 95 ? 9.213 -71.884 6.794 1.00 58.93 ? 93 ASP L CG 1 ATOM 4930 O OD1 . ASP B 2 95 ? 9.764 -70.947 6.177 1.00 57.61 ? 93 ASP L OD1 1 ATOM 4931 O OD2 . ASP B 2 95 ? 7.974 -71.978 6.927 1.00 65.28 ? 93 ASP L OD2 1 ATOM 4932 H H . ASP B 2 95 ? 11.648 -71.070 7.505 1.00 49.10 ? 93 ASP L H 1 ATOM 4933 H HA . ASP B 2 95 ? 12.001 -73.684 7.283 1.00 54.92 ? 93 ASP L HA 1 ATOM 4934 H HB2 . ASP B 2 95 ? 9.687 -73.817 7.222 1.00 63.34 ? 93 ASP L HB2 1 ATOM 4935 H HB3 . ASP B 2 95 ? 10.107 -72.806 8.374 1.00 63.34 ? 93 ASP L HB3 1 ATOM 4936 N N . ARG B 2 96 ? 12.038 -72.161 4.639 1.00 43.26 ? 94 ARG L N 1 ATOM 4937 C CA . ARG B 2 96 ? 12.180 -72.263 3.197 1.00 46.94 ? 94 ARG L CA 1 ATOM 4938 C C . ARG B 2 96 ? 13.653 -72.427 2.827 1.00 41.51 ? 94 ARG L C 1 ATOM 4939 O O . ARG B 2 96 ? 14.030 -72.317 1.661 1.00 38.57 ? 94 ARG L O 1 ATOM 4940 C CB . ARG B 2 96 ? 11.585 -71.020 2.539 1.00 51.61 ? 94 ARG L CB 1 ATOM 4941 C CG . ARG B 2 96 ? 10.069 -70.945 2.644 1.00 54.12 ? 94 ARG L CG 1 ATOM 4942 C CD . ARG B 2 96 ? 9.539 -69.599 2.189 1.00 54.60 ? 94 ARG L CD 1 ATOM 4943 N NE . ARG B 2 96 ? 9.756 -69.377 0.761 1.00 55.32 ? 94 ARG L NE 1 ATOM 4944 C CZ . ARG B 2 96 ? 10.297 -68.281 0.233 1.00 54.30 ? 94 ARG L CZ 1 ATOM 4945 N NH1 . ARG B 2 96 ? 10.689 -67.270 0.999 1.00 48.41 ? 94 ARG L NH1 1 ATOM 4946 N NH2 . ARG B 2 96 ? 10.446 -68.193 -1.080 1.00 58.57 ? 94 ARG L NH2 1 ATOM 4947 H H . ARG B 2 96 ? 12.316 -71.416 4.965 1.00 51.91 ? 94 ARG L H 1 ATOM 4948 H HA . ARG B 2 96 ? 11.690 -73.049 2.875 1.00 56.33 ? 94 ARG L HA 1 ATOM 4949 H HB2 . ARG B 2 96 ? 11.952 -70.231 2.968 1.00 61.93 ? 94 ARG L HB2 1 ATOM 4950 H HB3 . ARG B 2 96 ? 11.818 -71.021 1.597 1.00 61.93 ? 94 ARG L HB3 1 ATOM 4951 H HG2 . ARG B 2 96 ? 9.676 -71.631 2.082 1.00 64.94 ? 94 ARG L HG2 1 ATOM 4952 H HG3 . ARG B 2 96 ? 9.806 -71.078 3.568 1.00 64.94 ? 94 ARG L HG3 1 ATOM 4953 H HD2 . ARG B 2 96 ? 8.585 -69.559 2.360 1.00 65.52 ? 94 ARG L HD2 1 ATOM 4954 H HD3 . ARG B 2 96 ? 9.995 -68.896 2.678 1.00 65.52 ? 94 ARG L HD3 1 ATOM 4955 H HE . ARG B 2 96 ? 9.517 -70.001 0.221 1.00 66.38 ? 94 ARG L HE 1 ATOM 4956 H HH11 . ARG B 2 96 ? 10.597 -67.316 1.853 1.00 58.10 ? 94 ARG L HH11 1 ATOM 4957 H HH12 . ARG B 2 96 ? 11.036 -66.568 0.642 1.00 58.10 ? 94 ARG L HH12 1 ATOM 4958 H HH21 . ARG B 2 96 ? 10.195 -68.842 -1.586 1.00 70.29 ? 94 ARG L HH21 1 ATOM 4959 H HH22 . ARG B 2 96 ? 10.793 -67.487 -1.427 1.00 70.29 ? 94 ARG L HH22 1 ATOM 4960 N N . SER B 2 97 ? 14.479 -72.701 3.833 1.00 39.58 ? 95 SER L N 1 ATOM 4961 C CA . SER B 2 97 ? 15.913 -72.892 3.637 1.00 39.16 ? 95 SER L CA 1 ATOM 4962 C C . SER B 2 97 ? 16.615 -71.623 3.158 1.00 34.88 ? 95 SER L C 1 ATOM 4963 O O . SER B 2 97 ? 17.675 -71.691 2.535 1.00 37.40 ? 95 SER L O 1 ATOM 4964 C CB . SER B 2 97 ? 16.180 -74.046 2.666 1.00 48.46 ? 95 SER L CB 1 ATOM 4965 O OG . SER B 2 97 ? 15.870 -75.293 3.265 1.00 56.47 ? 95 SER L OG 1 ATOM 4966 H H . SER B 2 97 ? 14.228 -72.783 4.651 1.00 47.50 ? 95 SER L H 1 ATOM 4967 H HA . SER B 2 97 ? 16.311 -73.137 4.499 1.00 46.99 ? 95 SER L HA 1 ATOM 4968 H HB2 . SER B 2 97 ? 15.628 -73.929 1.877 1.00 58.15 ? 95 SER L HB2 1 ATOM 4969 H HB3 . SER B 2 97 ? 17.118 -74.039 2.419 1.00 58.15 ? 95 SER L HB3 1 ATOM 4970 H HG . SER B 2 97 ? 16.017 -75.902 2.737 1.00 67.76 ? 95 SER L HG 1 ATOM 4971 N N . HIS B 2 98 A 16.024 -70.467 3.448 1.00 31.89 ? 95 HIS L N 1 ATOM 4972 C CA . HIS B 2 98 A 16.708 -69.194 3.252 1.00 31.01 ? 95 HIS L CA 1 ATOM 4973 C C . HIS B 2 98 A 17.415 -68.804 4.542 1.00 31.83 ? 95 HIS L C 1 ATOM 4974 O O . HIS B 2 98 A 17.333 -69.513 5.547 1.00 31.96 ? 95 HIS L O 1 ATOM 4975 C CB . HIS B 2 98 A 15.725 -68.083 2.875 1.00 30.98 ? 95 HIS L CB 1 ATOM 4976 C CG . HIS B 2 98 A 15.049 -68.284 1.556 1.00 34.87 ? 95 HIS L CG 1 ATOM 4977 N ND1 . HIS B 2 98 A 14.296 -67.301 0.949 1.00 33.61 ? 95 HIS L ND1 1 ATOM 4978 C CD2 . HIS B 2 98 A 15.016 -69.351 0.723 1.00 38.49 ? 95 HIS L CD2 1 ATOM 4979 C CE1 . HIS B 2 98 A 13.826 -67.754 -0.197 1.00 34.89 ? 95 HIS L CE1 1 ATOM 4980 N NE2 . HIS B 2 98 A 14.248 -68.995 -0.360 1.00 37.78 ? 95 HIS L NE2 1 ATOM 4981 H H . HIS B 2 98 A 15.226 -70.394 3.760 1.00 38.27 ? 95 HIS L H 1 ATOM 4982 H HA . HIS B 2 98 A 17.376 -69.281 2.540 1.00 37.21 ? 95 HIS L HA 1 ATOM 4983 H HB2 . HIS B 2 98 A 15.035 -68.034 3.556 1.00 37.18 ? 95 HIS L HB2 1 ATOM 4984 H HB3 . HIS B 2 98 A 16.206 -67.241 2.836 1.00 37.18 ? 95 HIS L HB3 1 ATOM 4985 H HD1 . HIS B 2 98 A 14.153 -66.516 1.269 1.00 40.33 ? 95 HIS L HD1 1 ATOM 4986 H HD2 . HIS B 2 98 A 15.434 -70.171 0.858 1.00 46.19 ? 95 HIS L HD2 1 ATOM 4987 H HE1 . HIS B 2 98 A 13.289 -67.280 -0.791 1.00 41.87 ? 95 HIS L HE1 1 ATOM 4988 N N . ARG B 2 99 ? 18.110 -67.672 4.506 1.00 32.79 ? 96 ARG L N 1 ATOM 4989 C CA . ARG B 2 99 ? 18.642 -67.056 5.713 1.00 29.39 ? 96 ARG L CA 1 ATOM 4990 C C . ARG B 2 99 ? 18.050 -65.668 5.836 1.00 31.52 ? 96 ARG L C 1 ATOM 4991 O O . ARG B 2 99 ? 17.784 -65.007 4.831 1.00 29.16 ? 96 ARG L O 1 ATOM 4992 C CB . ARG B 2 99 ? 20.165 -66.942 5.654 1.00 29.51 ? 96 ARG L CB 1 ATOM 4993 C CG . ARG B 2 99 ? 20.872 -68.223 5.292 1.00 33.48 ? 96 ARG L CG 1 ATOM 4994 C CD . ARG B 2 99 ? 20.558 -69.331 6.275 1.00 36.84 ? 96 ARG L CD 1 ATOM 4995 N NE . ARG B 2 99 ? 21.006 -70.619 5.761 1.00 42.71 ? 96 ARG L NE 1 ATOM 4996 C CZ . ARG B 2 99 ? 22.196 -71.164 6.000 1.00 41.25 ? 96 ARG L CZ 1 ATOM 4997 N NH1 . ARG B 2 99 ? 23.088 -70.550 6.774 1.00 42.93 ? 96 ARG L NH1 1 ATOM 4998 N NH2 . ARG B 2 99 ? 22.489 -72.339 5.465 1.00 33.86 ? 96 ARG L NH2 1 ATOM 4999 H H . ARG B 2 99 ? 18.289 -67.238 3.785 1.00 39.35 ? 96 ARG L H 1 ATOM 5000 H HA . ARG B 2 99 ? 18.390 -67.584 6.499 1.00 35.26 ? 96 ARG L HA 1 ATOM 5001 H HB2 . ARG B 2 99 ? 20.400 -66.277 4.988 1.00 35.41 ? 96 ARG L HB2 1 ATOM 5002 H HB3 . ARG B 2 99 ? 20.489 -66.662 6.524 1.00 35.41 ? 96 ARG L HB3 1 ATOM 5003 H HG2 . ARG B 2 99 ? 20.585 -68.509 4.411 1.00 40.18 ? 96 ARG L HG2 1 ATOM 5004 H HG3 . ARG B 2 99 ? 21.830 -68.072 5.300 1.00 40.18 ? 96 ARG L HG3 1 ATOM 5005 H HD2 . ARG B 2 99 ? 21.017 -69.159 7.112 1.00 44.21 ? 96 ARG L HD2 1 ATOM 5006 H HD3 . ARG B 2 99 ? 19.600 -69.374 6.417 1.00 44.21 ? 96 ARG L HD3 1 ATOM 5007 H HE . ARG B 2 99 ? 20.460 -71.061 5.265 1.00 51.26 ? 96 ARG L HE 1 ATOM 5008 H HH11 . ARG B 2 99 ? 22.902 -69.785 7.121 1.00 51.51 ? 96 ARG L HH11 1 ATOM 5009 H HH12 . ARG B 2 99 ? 23.852 -70.915 6.922 1.00 51.51 ? 96 ARG L HH12 1 ATOM 5010 H HH21 . ARG B 2 99 ? 21.914 -72.741 4.968 1.00 40.63 ? 96 ARG L HH21 1 ATOM 5011 H HH22 . ARG B 2 99 ? 23.253 -72.703 5.619 1.00 40.63 ? 96 ARG L HH22 1 ATOM 5012 N N . ILE B 2 100 ? 17.850 -65.221 7.069 1.00 33.52 ? 97 ILE L N 1 ATOM 5013 C CA . ILE B 2 100 ? 17.384 -63.867 7.305 1.00 32.23 ? 97 ILE L CA 1 ATOM 5014 C C . ILE B 2 100 ? 18.160 -63.246 8.461 1.00 29.06 ? 97 ILE L C 1 ATOM 5015 O O . ILE B 2 100 ? 18.368 -63.879 9.497 1.00 26.78 ? 97 ILE L O 1 ATOM 5016 C CB . ILE B 2 100 ? 15.867 -63.824 7.578 1.00 32.96 ? 97 ILE L CB 1 ATOM 5017 C CG1 . ILE B 2 100 ? 15.379 -62.375 7.590 1.00 41.24 ? 97 ILE L CG1 1 ATOM 5018 C CG2 . ILE B 2 100 ? 15.532 -64.525 8.887 1.00 25.65 ? 97 ILE L CG2 1 ATOM 5019 C CD1 . ILE B 2 100 ? 13.881 -62.234 7.499 1.00 48.16 ? 97 ILE L CD1 1 ATOM 5020 H H . ILE B 2 100 ? 17.977 -65.683 7.783 1.00 40.22 ? 97 ILE L H 1 ATOM 5021 H HA . ILE B 2 100 ? 17.559 -63.329 6.505 1.00 38.67 ? 97 ILE L HA 1 ATOM 5022 H HB . ILE B 2 100 ? 15.415 -64.291 6.858 1.00 39.56 ? 97 ILE L HB 1 ATOM 5023 H HG12 . ILE B 2 100 ? 15.667 -61.955 8.416 1.00 49.49 ? 97 ILE L HG12 1 ATOM 5024 H HG13 . ILE B 2 100 ? 15.767 -61.909 6.832 1.00 49.49 ? 97 ILE L HG13 1 ATOM 5025 H HG21 . ILE B 2 100 ? 14.583 -64.482 9.030 1.00 30.78 ? 97 ILE L HG21 1 ATOM 5026 H HG22 . ILE B 2 100 ? 15.814 -65.441 8.832 1.00 30.78 ? 97 ILE L HG22 1 ATOM 5027 H HG23 . ILE B 2 100 ? 15.991 -64.083 9.605 1.00 30.78 ? 97 ILE L HG23 1 ATOM 5028 H HD11 . ILE B 2 100 ? 13.653 -61.301 7.512 1.00 57.80 ? 97 ILE L HD11 1 ATOM 5029 H HD12 . ILE B 2 100 ? 13.579 -62.634 6.680 1.00 57.80 ? 97 ILE L HD12 1 ATOM 5030 H HD13 . ILE B 2 100 ? 13.480 -62.680 8.249 1.00 57.80 ? 97 ILE L HD13 1 ATOM 5031 N N . PHE B 2 101 ? 18.605 -62.009 8.257 1.00 26.01 ? 98 PHE L N 1 ATOM 5032 C CA . PHE B 2 101 ? 19.378 -61.284 9.257 1.00 25.11 ? 98 PHE L CA 1 ATOM 5033 C C . PHE B 2 101 ? 18.516 -60.270 9.998 1.00 27.85 ? 98 PHE L C 1 ATOM 5034 O O . PHE B 2 101 ? 17.491 -59.815 9.487 1.00 28.28 ? 98 PHE L O 1 ATOM 5035 C CB . PHE B 2 101 ? 20.534 -60.541 8.588 1.00 26.64 ? 98 PHE L CB 1 ATOM 5036 C CG . PHE B 2 101 ? 21.685 -61.422 8.206 1.00 31.10 ? 98 PHE L CG 1 ATOM 5037 C CD1 . PHE B 2 101 ? 22.756 -61.595 9.067 1.00 31.38 ? 98 PHE L CD1 1 ATOM 5038 C CD2 . PHE B 2 101 ? 21.705 -62.065 6.980 1.00 35.29 ? 98 PHE L CD2 1 ATOM 5039 C CE1 . PHE B 2 101 ? 23.822 -62.399 8.718 1.00 32.11 ? 98 PHE L CE1 1 ATOM 5040 C CE2 . PHE B 2 101 ? 22.769 -62.872 6.625 1.00 36.68 ? 98 PHE L CE2 1 ATOM 5041 C CZ . PHE B 2 101 ? 23.829 -63.039 7.495 1.00 35.39 ? 98 PHE L CZ 1 ATOM 5042 H H . PHE B 2 101 ? 18.468 -61.563 7.535 1.00 31.22 ? 98 PHE L H 1 ATOM 5043 H HA . PHE B 2 101 ? 19.747 -61.916 9.908 1.00 30.13 ? 98 PHE L HA 1 ATOM 5044 H HB2 . PHE B 2 101 ? 20.205 -60.116 7.780 1.00 31.97 ? 98 PHE L HB2 1 ATOM 5045 H HB3 . PHE B 2 101 ? 20.867 -59.867 9.201 1.00 31.97 ? 98 PHE L HB3 1 ATOM 5046 H HD1 . PHE B 2 101 ? 22.755 -61.165 9.892 1.00 37.66 ? 98 PHE L HD1 1 ATOM 5047 H HD2 . PHE B 2 101 ? 20.994 -61.956 6.392 1.00 42.35 ? 98 PHE L HD2 1 ATOM 5048 H HE1 . PHE B 2 101 ? 24.534 -62.510 9.306 1.00 38.54 ? 98 PHE L HE1 1 ATOM 5049 H HE2 . PHE B 2 101 ? 22.771 -63.302 5.800 1.00 44.01 ? 98 PHE L HE2 1 ATOM 5050 H HZ . PHE B 2 101 ? 24.545 -63.582 7.257 1.00 42.47 ? 98 PHE L HZ 1 ATOM 5051 N N . GLY B 2 102 ? 18.947 -59.911 11.203 1.00 25.31 ? 99 GLY L N 1 ATOM 5052 C CA . GLY B 2 102 ? 18.301 -58.852 11.955 1.00 28.99 ? 99 GLY L CA 1 ATOM 5053 C C . GLY B 2 102 ? 18.797 -57.488 11.512 1.00 30.87 ? 99 GLY L C 1 ATOM 5054 O O . GLY B 2 102 ? 19.792 -57.387 10.796 1.00 27.67 ? 99 GLY L O 1 ATOM 5055 H H . GLY B 2 102 ? 19.616 -60.269 11.606 1.00 30.37 ? 99 GLY L H 1 ATOM 5056 H HA2 . GLY B 2 102 ? 17.341 -58.893 11.822 1.00 34.79 ? 99 GLY L HA2 1 ATOM 5057 H HA3 . GLY B 2 102 ? 18.489 -58.960 12.901 1.00 34.79 ? 99 GLY L HA3 1 ATOM 5058 N N . GLY B 2 103 ? 18.106 -56.437 11.942 1.00 34.23 ? 100 GLY L N 1 ATOM 5059 C CA . GLY B 2 103 ? 18.412 -55.087 11.503 1.00 34.27 ? 100 GLY L CA 1 ATOM 5060 C C . GLY B 2 103 ? 19.750 -54.562 11.993 1.00 32.89 ? 100 GLY L C 1 ATOM 5061 O O . GLY B 2 103 ? 20.262 -53.573 11.470 1.00 32.87 ? 100 GLY L O 1 ATOM 5062 H H . GLY B 2 103 ? 17.449 -56.484 12.495 1.00 41.08 ? 100 GLY L H 1 ATOM 5063 H HA2 . GLY B 2 103 ? 18.416 -55.062 10.534 1.00 41.13 ? 100 GLY L HA2 1 ATOM 5064 H HA3 . GLY B 2 103 ? 17.719 -54.486 11.819 1.00 41.13 ? 100 GLY L HA3 1 ATOM 5065 N N . GLY B 2 104 ? 20.313 -55.214 13.005 1.00 30.05 ? 101 GLY L N 1 ATOM 5066 C CA . GLY B 2 104 ? 21.620 -54.841 13.515 1.00 30.37 ? 101 GLY L CA 1 ATOM 5067 C C . GLY B 2 104 ? 21.566 -53.999 14.779 1.00 30.73 ? 101 GLY L C 1 ATOM 5068 O O . GLY B 2 104 ? 20.660 -53.184 14.960 1.00 29.39 ? 101 GLY L O 1 ATOM 5069 H H . GLY B 2 104 ? 19.954 -55.880 13.413 1.00 36.06 ? 101 GLY L H 1 ATOM 5070 H HA2 . GLY B 2 104 ? 22.128 -55.644 13.707 1.00 36.45 ? 101 GLY L HA2 1 ATOM 5071 H HA3 . GLY B 2 104 ? 22.095 -54.337 12.836 1.00 36.45 ? 101 GLY L HA3 1 ATOM 5072 N N . THR B 2 105 ? 22.547 -54.198 15.655 1.00 28.07 ? 102 THR L N 1 ATOM 5073 C CA . THR B 2 105 ? 22.655 -53.426 16.887 1.00 28.18 ? 102 THR L CA 1 ATOM 5074 C C . THR B 2 105 ? 24.048 -52.822 17.021 1.00 27.43 ? 102 THR L C 1 ATOM 5075 O O . THR B 2 105 ? 25.047 -53.532 16.908 1.00 25.49 ? 102 THR L O 1 ATOM 5076 C CB . THR B 2 105 ? 22.411 -54.307 18.125 1.00 28.34 ? 102 THR L CB 1 ATOM 5077 O OG1 . THR B 2 105 ? 21.124 -54.931 18.036 1.00 32.08 ? 102 THR L OG1 1 ATOM 5078 C CG2 . THR B 2 105 ? 22.490 -53.473 19.395 1.00 26.04 ? 102 THR L CG2 1 ATOM 5079 H H . THR B 2 105 ? 23.170 -54.782 15.556 1.00 33.69 ? 102 THR L H 1 ATOM 5080 H HA . THR B 2 105 ? 21.996 -52.700 16.882 1.00 33.81 ? 102 THR L HA 1 ATOM 5081 H HB . THR B 2 105 ? 23.096 -54.992 18.169 1.00 34.01 ? 102 THR L HB 1 ATOM 5082 H HG1 . THR B 2 105 ? 20.537 -54.360 17.996 1.00 38.49 ? 102 THR L HG1 1 ATOM 5083 H HG21 . THR B 2 105 ? 22.337 -54.029 20.163 1.00 31.25 ? 102 THR L HG21 1 ATOM 5084 H HG22 . THR B 2 105 ? 23.359 -53.070 19.470 1.00 31.25 ? 102 THR L HG22 1 ATOM 5085 H HG23 . THR B 2 105 ? 21.826 -52.780 19.374 1.00 31.25 ? 102 THR L HG23 1 ATOM 5086 N N . LYS B 2 106 ? 24.118 -51.517 17.266 1.00 29.42 ? 103 LYS L N 1 ATOM 5087 C CA . LYS B 2 106 ? 25.401 -50.872 17.518 1.00 30.95 ? 103 LYS L CA 1 ATOM 5088 C C . LYS B 2 106 ? 25.772 -51.034 18.984 1.00 31.22 ? 103 LYS L C 1 ATOM 5089 O O . LYS B 2 106 ? 25.015 -50.647 19.872 1.00 33.79 ? 103 LYS L O 1 ATOM 5090 C CB . LYS B 2 106 ? 25.364 -49.387 17.151 1.00 29.31 ? 103 LYS L CB 1 ATOM 5091 C CG . LYS B 2 106 ? 26.710 -48.685 17.326 1.00 34.22 ? 103 LYS L CG 1 ATOM 5092 C CD . LYS B 2 106 ? 26.629 -47.195 17.028 1.00 42.80 ? 103 LYS L CD 1 ATOM 5093 C CE . LYS B 2 106 ? 27.871 -46.458 17.526 1.00 44.28 ? 103 LYS L CE 1 ATOM 5094 N NZ . LYS B 2 106 ? 28.976 -46.410 16.524 1.00 41.59 ? 103 LYS L NZ 1 ATOM 5095 H H . LYS B 2 106 ? 23.442 -50.987 17.292 1.00 35.31 ? 103 LYS L H 1 ATOM 5096 H HA . LYS B 2 106 ? 26.093 -51.305 16.975 1.00 37.14 ? 103 LYS L HA 1 ATOM 5097 H HB2 . LYS B 2 106 ? 25.100 -49.299 16.222 1.00 35.17 ? 103 LYS L HB2 1 ATOM 5098 H HB3 . LYS B 2 106 ? 24.718 -48.939 17.721 1.00 35.17 ? 103 LYS L HB3 1 ATOM 5099 H HG2 . LYS B 2 106 ? 27.007 -48.793 18.243 1.00 41.07 ? 103 LYS L HG2 1 ATOM 5100 H HG3 . LYS B 2 106 ? 27.355 -49.080 16.719 1.00 41.07 ? 103 LYS L HG3 1 ATOM 5101 H HD2 . LYS B 2 106 ? 26.562 -47.063 16.069 1.00 51.36 ? 103 LYS L HD2 1 ATOM 5102 H HD3 . LYS B 2 106 ? 25.854 -46.820 17.474 1.00 51.36 ? 103 LYS L HD3 1 ATOM 5103 H HE2 . LYS B 2 106 ? 27.627 -45.545 17.743 1.00 53.13 ? 103 LYS L HE2 1 ATOM 5104 H HE3 . LYS B 2 106 ? 28.206 -46.907 18.317 1.00 53.13 ? 103 LYS L HE3 1 ATOM 5105 H HZ1 . LYS B 2 106 ? 29.673 -45.972 16.861 1.00 49.91 ? 103 LYS L HZ1 1 ATOM 5106 H HZ2 . LYS B 2 106 ? 29.228 -47.237 16.311 1.00 49.91 ? 103 LYS L HZ2 1 ATOM 5107 H HZ3 . LYS B 2 106 ? 28.700 -45.993 15.787 1.00 49.91 ? 103 LYS L HZ3 1 ATOM 5108 N N . VAL B 2 107 ? 26.940 -51.619 19.226 1.00 28.64 ? 104 VAL L N 1 ATOM 5109 C CA . VAL B 2 107 ? 27.418 -51.861 20.578 1.00 29.37 ? 104 VAL L CA 1 ATOM 5110 C C . VAL B 2 107 ? 28.588 -50.941 20.884 1.00 27.12 ? 104 VAL L C 1 ATOM 5111 O O . VAL B 2 107 ? 29.626 -51.004 20.228 1.00 23.72 ? 104 VAL L O 1 ATOM 5112 C CB . VAL B 2 107 ? 27.869 -53.322 20.757 1.00 28.32 ? 104 VAL L CB 1 ATOM 5113 C CG1 . VAL B 2 107 ? 28.778 -53.461 21.971 1.00 32.30 ? 104 VAL L CG1 1 ATOM 5114 C CG2 . VAL B 2 107 ? 26.662 -54.235 20.880 1.00 22.14 ? 104 VAL L CG2 1 ATOM 5115 H H . VAL B 2 107 ? 27.480 -51.888 18.613 1.00 34.36 ? 104 VAL L H 1 ATOM 5116 H HA . VAL B 2 107 ? 26.700 -51.676 21.218 1.00 35.25 ? 104 VAL L HA 1 ATOM 5117 H HB . VAL B 2 107 ? 28.378 -53.597 19.966 1.00 33.98 ? 104 VAL L HB 1 ATOM 5118 H HG11 . VAL B 2 107 ? 29.043 -54.380 22.058 1.00 38.75 ? 104 VAL L HG11 1 ATOM 5119 H HG12 . VAL B 2 107 ? 29.551 -52.907 21.847 1.00 38.75 ? 104 VAL L HG12 1 ATOM 5120 H HG13 . VAL B 2 107 ? 28.297 -53.183 22.754 1.00 38.75 ? 104 VAL L HG13 1 ATOM 5121 H HG21 . VAL B 2 107 ? 26.965 -55.139 20.991 1.00 26.57 ? 104 VAL L HG21 1 ATOM 5122 H HG22 . VAL B 2 107 ? 26.145 -53.967 21.643 1.00 26.57 ? 104 VAL L HG22 1 ATOM 5123 H HG23 . VAL B 2 107 ? 26.133 -54.162 20.082 1.00 26.57 ? 104 VAL L HG23 1 ATOM 5124 N N . THR B 2 108 ? 28.411 -50.086 21.884 1.00 25.84 ? 105 THR L N 1 ATOM 5125 C CA . THR B 2 108 ? 29.457 -49.163 22.295 1.00 28.14 ? 105 THR L CA 1 ATOM 5126 C C . THR B 2 108 ? 30.027 -49.581 23.645 1.00 27.56 ? 105 THR L C 1 ATOM 5127 O O . THR B 2 108 ? 29.286 -49.840 24.591 1.00 20.67 ? 105 THR L O 1 ATOM 5128 C CB . THR B 2 108 ? 28.923 -47.721 22.411 1.00 30.83 ? 105 THR L CB 1 ATOM 5129 O OG1 . THR B 2 108 ? 28.494 -47.260 21.125 1.00 34.47 ? 105 THR L OG1 1 ATOM 5130 C CG2 . THR B 2 108 ? 30.004 -46.788 22.949 1.00 31.79 ? 105 THR L CG2 1 ATOM 5131 H H . THR B 2 108 ? 27.687 -50.021 22.344 1.00 31.00 ? 105 THR L H 1 ATOM 5132 H HA . THR B 2 108 ? 30.180 -49.175 21.635 1.00 33.77 ? 105 THR L HA 1 ATOM 5133 H HB . THR B 2 108 ? 28.173 -47.705 23.025 1.00 36.99 ? 105 THR L HB 1 ATOM 5134 H HG1 . THR B 2 108 ? 27.897 -47.744 20.838 1.00 41.37 ? 105 THR L HG1 1 ATOM 5135 H HG21 . THR B 2 108 ? 29.662 -45.894 23.017 1.00 38.14 ? 105 THR L HG21 1 ATOM 5136 H HG22 . THR B 2 108 ? 30.287 -47.081 23.819 1.00 38.14 ? 105 THR L HG22 1 ATOM 5137 H HG23 . THR B 2 108 ? 30.761 -46.788 22.359 1.00 38.14 ? 105 THR L HG23 1 ATOM 5138 N N . VAL B 2 109 ? 31.350 -49.661 23.721 1.00 28.14 ? 106 VAL L N 1 ATOM 5139 C CA . VAL B 2 109 ? 32.032 -49.878 24.989 1.00 25.81 ? 106 VAL L CA 1 ATOM 5140 C C . VAL B 2 109 ? 32.479 -48.529 25.533 1.00 29.92 ? 106 VAL L C 1 ATOM 5141 O O . VAL B 2 109 ? 33.502 -47.985 25.122 1.00 28.88 ? 106 VAL L O 1 ATOM 5142 C CB . VAL B 2 109 ? 33.247 -50.801 24.828 1.00 26.02 ? 106 VAL L CB 1 ATOM 5143 C CG1 . VAL B 2 109 ? 33.974 -50.965 26.159 1.00 28.80 ? 106 VAL L CG1 1 ATOM 5144 C CG2 . VAL B 2 109 ? 32.812 -52.147 24.280 1.00 22.02 ? 106 VAL L CG2 1 ATOM 5145 H H . VAL B 2 109 ? 31.880 -49.591 23.047 1.00 33.76 ? 106 VAL L H 1 ATOM 5146 H HA . VAL B 2 109 ? 31.413 -50.285 25.630 1.00 30.97 ? 106 VAL L HA 1 ATOM 5147 H HB . VAL B 2 109 ? 33.871 -50.400 24.188 1.00 31.23 ? 106 VAL L HB 1 ATOM 5148 H HG11 . VAL B 2 109 ? 34.729 -51.545 26.033 1.00 34.56 ? 106 VAL L HG11 1 ATOM 5149 H HG12 . VAL B 2 109 ? 34.270 -50.103 26.461 1.00 34.56 ? 106 VAL L HG12 1 ATOM 5150 H HG13 . VAL B 2 109 ? 33.370 -51.347 26.800 1.00 34.56 ? 106 VAL L HG13 1 ATOM 5151 H HG21 . VAL B 2 109 ? 33.583 -52.710 24.186 1.00 26.42 ? 106 VAL L HG21 1 ATOM 5152 H HG22 . VAL B 2 109 ? 32.187 -52.545 24.891 1.00 26.42 ? 106 VAL L HG22 1 ATOM 5153 H HG23 . VAL B 2 109 ? 32.395 -52.015 23.425 1.00 26.42 ? 106 VAL L HG23 1 ATOM 5154 N N . LEU B 2 110 A 31.696 -48.001 26.465 1.00 35.15 ? 106 LEU L N 1 ATOM 5155 C CA . LEU B 2 110 A 31.888 -46.650 26.975 1.00 38.89 ? 106 LEU L CA 1 ATOM 5156 C C . LEU B 2 110 A 33.325 -46.411 27.426 1.00 42.81 ? 106 LEU L C 1 ATOM 5157 O O . LEU B 2 110 A 33.788 -47.000 28.403 1.00 44.40 ? 106 LEU L O 1 ATOM 5158 C CB . LEU B 2 110 A 30.928 -46.394 28.136 1.00 38.96 ? 106 LEU L CB 1 ATOM 5159 C CG . LEU B 2 110 A 29.450 -46.622 27.812 1.00 38.40 ? 106 LEU L CG 1 ATOM 5160 C CD1 . LEU B 2 110 A 28.612 -46.497 29.066 1.00 38.98 ? 106 LEU L CD1 1 ATOM 5161 C CD2 . LEU B 2 110 A 28.973 -45.651 26.738 1.00 39.13 ? 106 LEU L CD2 1 ATOM 5162 H H . LEU B 2 110 A 31.033 -48.414 26.825 1.00 42.18 ? 106 LEU L H 1 ATOM 5163 H HA . LEU B 2 110 A 31.683 -46.008 26.264 1.00 46.67 ? 106 LEU L HA 1 ATOM 5164 H HB2 . LEU B 2 110 A 31.162 -46.988 28.867 1.00 46.75 ? 106 LEU L HB2 1 ATOM 5165 H HB3 . LEU B 2 110 A 31.027 -45.473 28.421 1.00 46.75 ? 106 LEU L HB3 1 ATOM 5166 H HG . LEU B 2 110 A 29.339 -47.522 27.469 1.00 46.07 ? 106 LEU L HG 1 ATOM 5167 H HD11 . LEU B 2 110 A 27.690 -46.642 28.842 1.00 46.77 ? 106 LEU L HD11 1 ATOM 5168 H HD12 . LEU B 2 110 A 28.903 -47.155 29.702 1.00 46.77 ? 106 LEU L HD12 1 ATOM 5169 H HD13 . LEU B 2 110 A 28.726 -45.616 29.431 1.00 46.77 ? 106 LEU L HD13 1 ATOM 5170 H HD21 . LEU B 2 110 A 28.045 -45.818 26.557 1.00 46.95 ? 106 LEU L HD21 1 ATOM 5171 H HD22 . LEU B 2 110 A 29.088 -44.753 27.056 1.00 46.95 ? 106 LEU L HD22 1 ATOM 5172 H HD23 . LEU B 2 110 A 29.492 -45.786 25.942 1.00 46.95 ? 106 LEU L HD23 1 ATOM 5173 N N . GLY B 2 111 ? 34.020 -45.532 26.711 1.00 41.37 ? 107 GLY L N 1 ATOM 5174 C CA . GLY B 2 111 ? 35.406 -45.224 27.006 1.00 38.38 ? 107 GLY L CA 1 ATOM 5175 C C . GLY B 2 111 ? 35.614 -43.765 27.367 1.00 36.51 ? 107 GLY L C 1 ATOM 5176 O O . GLY B 2 111 ? 36.748 -43.315 27.532 1.00 41.32 ? 107 GLY L O 1 ATOM 5177 H H . GLY B 2 111 ? 33.702 -45.096 26.041 1.00 49.64 ? 107 GLY L H 1 ATOM 5178 H HA2 . GLY B 2 111 ? 35.707 -45.769 27.749 1.00 46.06 ? 107 GLY L HA2 1 ATOM 5179 H HA3 . GLY B 2 111 ? 35.954 -45.429 26.232 1.00 46.06 ? 107 GLY L HA3 1 ATOM 5180 N N . GLN B 2 112 ? 34.516 -43.023 27.490 1.00 31.15 ? 108 GLN L N 1 ATOM 5181 C CA . GLN B 2 112 ? 34.578 -41.615 27.866 1.00 32.44 ? 108 GLN L CA 1 ATOM 5182 C C . GLN B 2 112 ? 33.218 -41.143 28.367 1.00 33.17 ? 108 GLN L C 1 ATOM 5183 O O . GLN B 2 112 ? 32.212 -41.824 28.169 1.00 30.96 ? 108 GLN L O 1 ATOM 5184 C CB . GLN B 2 112 ? 35.021 -40.763 26.675 1.00 34.77 ? 108 GLN L CB 1 ATOM 5185 C CG . GLN B 2 112 ? 34.073 -40.817 25.488 1.00 40.70 ? 108 GLN L CG 1 ATOM 5186 C CD . GLN B 2 112 ? 34.490 -39.890 24.366 1.00 51.61 ? 108 GLN L CD 1 ATOM 5187 O OE1 . GLN B 2 112 ? 34.788 -40.333 23.258 1.00 53.33 ? 108 GLN L OE1 1 ATOM 5188 N NE2 . GLN B 2 112 ? 34.508 -38.592 24.647 1.00 58.01 ? 108 GLN L NE2 1 ATOM 5189 H H . GLN B 2 112 ? 33.718 -43.315 27.360 1.00 37.38 ? 108 GLN L H 1 ATOM 5190 H HA . GLN B 2 112 ? 35.231 -41.500 28.588 1.00 38.93 ? 108 GLN L HA 1 ATOM 5191 H HB2 . GLN B 2 112 ? 35.086 -39.838 26.960 1.00 41.72 ? 108 GLN L HB2 1 ATOM 5192 H HB3 . GLN B 2 112 ? 35.889 -41.075 26.374 1.00 41.72 ? 108 GLN L HB3 1 ATOM 5193 H HG2 . GLN B 2 112 ? 34.054 -41.722 25.139 1.00 48.84 ? 108 GLN L HG2 1 ATOM 5194 H HG3 . GLN B 2 112 ? 33.185 -40.555 25.780 1.00 48.84 ? 108 GLN L HG3 1 ATOM 5195 H HE21 . GLN B 2 112 ? 34.290 -38.319 25.433 1.00 69.62 ? 108 GLN L HE21 1 ATOM 5196 H HE22 . GLN B 2 112 ? 34.738 -38.025 24.043 1.00 69.62 ? 108 GLN L HE22 1 ATOM 5197 N N . PRO B 2 113 ? 33.182 -39.975 29.028 1.00 36.65 ? 109 PRO L N 1 ATOM 5198 C CA . PRO B 2 113 ? 31.923 -39.424 29.540 1.00 35.55 ? 109 PRO L CA 1 ATOM 5199 C C . PRO B 2 113 ? 30.864 -39.285 28.454 1.00 34.26 ? 109 PRO L C 1 ATOM 5200 O O . PRO B 2 113 ? 31.173 -38.845 27.347 1.00 36.21 ? 109 PRO L O 1 ATOM 5201 C CB . PRO B 2 113 ? 32.333 -38.044 30.058 1.00 36.92 ? 109 PRO L CB 1 ATOM 5202 C CG . PRO B 2 113 ? 33.769 -38.186 30.404 1.00 40.48 ? 109 PRO L CG 1 ATOM 5203 C CD . PRO B 2 113 ? 34.338 -39.138 29.395 1.00 39.74 ? 109 PRO L CD 1 ATOM 5204 H HA . PRO B 2 113 ? 31.577 -39.969 30.278 1.00 42.66 ? 109 PRO L HA 1 ATOM 5205 H HB2 . PRO B 2 113 ? 32.210 -37.381 29.361 1.00 44.30 ? 109 PRO L HB2 1 ATOM 5206 H HB3 . PRO B 2 113 ? 31.810 -37.819 30.844 1.00 44.30 ? 109 PRO L HB3 1 ATOM 5207 H HG2 . PRO B 2 113 ? 34.206 -37.322 30.343 1.00 48.58 ? 109 PRO L HG2 1 ATOM 5208 H HG3 . PRO B 2 113 ? 33.854 -38.548 31.300 1.00 48.58 ? 109 PRO L HG3 1 ATOM 5209 H HD2 . PRO B 2 113 ? 34.665 -38.654 28.620 1.00 47.69 ? 109 PRO L HD2 1 ATOM 5210 H HD3 . PRO B 2 113 ? 35.035 -39.681 29.796 1.00 47.69 ? 109 PRO L HD3 1 ATOM 5211 N N . LYS B 2 114 ? 29.630 -39.666 28.770 1.00 33.80 ? 110 LYS L N 1 ATOM 5212 C CA . LYS B 2 114 ? 28.522 -39.499 27.839 1.00 33.11 ? 110 LYS L CA 1 ATOM 5213 C C . LYS B 2 114 ? 28.243 -38.020 27.640 1.00 35.67 ? 110 LYS L C 1 ATOM 5214 O O . LYS B 2 114 ? 28.286 -37.240 28.589 1.00 39.90 ? 110 LYS L O 1 ATOM 5215 C CB . LYS B 2 114 ? 27.262 -40.182 28.365 1.00 33.59 ? 110 LYS L CB 1 ATOM 5216 C CG . LYS B 2 114 ? 27.257 -41.694 28.243 1.00 35.65 ? 110 LYS L CG 1 ATOM 5217 C CD . LYS B 2 114 ? 25.893 -42.243 28.622 1.00 38.15 ? 110 LYS L CD 1 ATOM 5218 C CE . LYS B 2 114 ? 25.793 -43.746 28.438 1.00 37.34 ? 110 LYS L CE 1 ATOM 5219 N NZ . LYS B 2 114 ? 24.421 -44.219 28.782 1.00 38.51 ? 110 LYS L NZ 1 ATOM 5220 H H . LYS B 2 114 ? 29.409 -40.025 29.519 1.00 40.56 ? 110 LYS L H 1 ATOM 5221 H HA . LYS B 2 114 ? 28.756 -39.894 26.973 1.00 39.74 ? 110 LYS L HA 1 ATOM 5222 H HB2 . LYS B 2 114 ? 27.161 -39.963 29.305 1.00 40.31 ? 110 LYS L HB2 1 ATOM 5223 H HB3 . LYS B 2 114 ? 26.499 -39.846 27.869 1.00 40.31 ? 110 LYS L HB3 1 ATOM 5224 H HG2 . LYS B 2 114 ? 27.447 -41.947 27.326 1.00 42.78 ? 110 LYS L HG2 1 ATOM 5225 H HG3 . LYS B 2 114 ? 27.919 -42.070 28.844 1.00 42.78 ? 110 LYS L HG3 1 ATOM 5226 H HD2 . LYS B 2 114 ? 25.720 -42.043 29.556 1.00 45.78 ? 110 LYS L HD2 1 ATOM 5227 H HD3 . LYS B 2 114 ? 25.218 -41.827 28.063 1.00 45.78 ? 110 LYS L HD3 1 ATOM 5228 H HE2 . LYS B 2 114 ? 25.974 -43.971 27.512 1.00 44.81 ? 110 LYS L HE2 1 ATOM 5229 H HE3 . LYS B 2 114 ? 26.427 -44.187 29.025 1.00 44.81 ? 110 LYS L HE3 1 ATOM 5230 H HZ1 . LYS B 2 114 ? 24.367 -45.101 28.673 1.00 46.21 ? 110 LYS L HZ1 1 ATOM 5231 H HZ2 . LYS B 2 114 ? 24.234 -44.021 29.630 1.00 46.21 ? 110 LYS L HZ2 1 ATOM 5232 H HZ3 . LYS B 2 114 ? 23.822 -43.825 28.254 1.00 46.21 ? 110 LYS L HZ3 1 ATOM 5233 N N . ALA B 2 115 ? 27.951 -37.640 26.401 1.00 33.43 ? 111 ALA L N 1 ATOM 5234 C CA . ALA B 2 115 ? 27.679 -36.248 26.075 1.00 32.96 ? 111 ALA L CA 1 ATOM 5235 C C . ALA B 2 115 ? 26.422 -36.125 25.222 1.00 31.92 ? 111 ALA L C 1 ATOM 5236 O O . ALA B 2 115 ? 26.214 -36.897 24.286 1.00 28.80 ? 111 ALA L O 1 ATOM 5237 C CB . ALA B 2 115 ? 28.869 -35.639 25.351 1.00 31.81 ? 111 ALA L CB 1 ATOM 5238 H H . ALA B 2 115 ? 27.903 -38.174 25.729 1.00 40.11 ? 111 ALA L H 1 ATOM 5239 H HA . ALA B 2 115 ? 27.536 -35.746 26.904 1.00 39.55 ? 111 ALA L HA 1 ATOM 5240 H HB1 . ALA B 2 115 ? 28.673 -34.723 25.144 1.00 38.17 ? 111 ALA L HB1 1 ATOM 5241 H HB2 . ALA B 2 115 ? 29.640 -35.688 25.922 1.00 38.17 ? 111 ALA L HB2 1 ATOM 5242 H HB3 . ALA B 2 115 ? 29.028 -36.132 24.542 1.00 38.17 ? 111 ALA L HB3 1 ATOM 5243 N N . ALA B 2 116 ? 25.582 -35.153 25.563 1.00 32.79 ? 112 ALA L N 1 ATOM 5244 C CA . ALA B 2 116 ? 24.399 -34.851 24.771 1.00 30.99 ? 112 ALA L CA 1 ATOM 5245 C C . ALA B 2 116 ? 24.807 -34.040 23.547 1.00 34.63 ? 112 ALA L C 1 ATOM 5246 O O . ALA B 2 116 ? 25.768 -33.271 23.599 1.00 39.31 ? 112 ALA L O 1 ATOM 5247 C CB . ALA B 2 116 ? 23.389 -34.082 25.603 1.00 29.15 ? 112 ALA L CB 1 ATOM 5248 H H . ALA B 2 116 ? 25.677 -34.651 26.255 1.00 39.35 ? 112 ALA L H 1 ATOM 5249 H HA . ALA B 2 116 ? 23.984 -35.686 24.468 1.00 37.18 ? 112 ALA L HA 1 ATOM 5250 H HB1 . ALA B 2 116 ? 22.619 -33.893 25.062 1.00 34.98 ? 112 ALA L HB1 1 ATOM 5251 H HB2 . ALA B 2 116 ? 23.136 -34.617 26.359 1.00 34.98 ? 112 ALA L HB2 1 ATOM 5252 H HB3 . ALA B 2 116 ? 23.790 -33.262 25.900 1.00 34.98 ? 112 ALA L HB3 1 ATOM 5253 N N . PRO B 2 117 ? 24.075 -34.205 22.438 1.00 34.45 ? 113 PRO L N 1 ATOM 5254 C CA . PRO B 2 117 ? 24.434 -33.516 21.197 1.00 38.33 ? 113 PRO L CA 1 ATOM 5255 C C . PRO B 2 117 ? 24.065 -32.037 21.215 1.00 39.20 ? 113 PRO L C 1 ATOM 5256 O O . PRO B 2 117 ? 23.018 -31.668 21.751 1.00 37.45 ? 113 PRO L O 1 ATOM 5257 C CB . PRO B 2 117 ? 23.602 -34.251 20.144 1.00 40.87 ? 113 PRO L CB 1 ATOM 5258 C CG . PRO B 2 117 ? 22.399 -34.716 20.883 1.00 41.95 ? 113 PRO L CG 1 ATOM 5259 C CD . PRO B 2 117 ? 22.854 -35.018 22.288 1.00 38.50 ? 113 PRO L CD 1 ATOM 5260 H HA . PRO B 2 117 ? 25.388 -33.621 21.001 1.00 45.99 ? 113 PRO L HA 1 ATOM 5261 H HB2 . PRO B 2 117 ? 23.356 -33.639 19.433 1.00 49.05 ? 113 PRO L HB2 1 ATOM 5262 H HB3 . PRO B 2 117 ? 24.105 -35.003 19.794 1.00 49.05 ? 113 PRO L HB3 1 ATOM 5263 H HG2 . PRO B 2 117 ? 21.730 -34.014 20.887 1.00 50.34 ? 113 PRO L HG2 1 ATOM 5264 H HG3 . PRO B 2 117 ? 22.049 -35.517 20.461 1.00 50.34 ? 113 PRO L HG3 1 ATOM 5265 H HD2 . PRO B 2 117 ? 22.182 -34.739 22.928 1.00 46.20 ? 113 PRO L HD2 1 ATOM 5266 H HD3 . PRO B 2 117 ? 23.063 -35.961 22.380 1.00 46.20 ? 113 PRO L HD3 1 ATOM 5267 N N . SER B 2 118 ? 24.928 -31.203 20.645 1.00 40.22 ? 114 SER L N 1 ATOM 5268 C CA . SER B 2 118 ? 24.586 -29.810 20.403 1.00 40.51 ? 114 SER L CA 1 ATOM 5269 C C . SER B 2 118 ? 24.029 -29.718 18.989 1.00 40.21 ? 114 SER L C 1 ATOM 5270 O O . SER B 2 118 ? 24.610 -30.264 18.049 1.00 38.53 ? 114 SER L O 1 ATOM 5271 C CB . SER B 2 118 ? 25.805 -28.900 20.577 1.00 44.00 ? 114 SER L CB 1 ATOM 5272 O OG . SER B 2 118 ? 26.718 -29.021 19.500 1.00 47.24 ? 114 SER L OG 1 ATOM 5273 H H . SER B 2 118 ? 25.720 -31.421 20.389 1.00 48.26 ? 114 SER L H 1 ATOM 5274 H HA . SER B 2 118 ? 23.890 -29.527 21.033 1.00 48.61 ? 114 SER L HA 1 ATOM 5275 H HB2 . SER B 2 118 ? 25.502 -27.980 20.627 1.00 52.80 ? 114 SER L HB2 1 ATOM 5276 H HB3 . SER B 2 118 ? 26.259 -29.141 21.399 1.00 52.80 ? 114 SER L HB3 1 ATOM 5277 H HG . SER B 2 118 ? 26.438 -29.566 18.955 1.00 56.68 ? 114 SER L HG 1 ATOM 5278 N N . VAL B 2 119 ? 22.898 -29.040 18.841 1.00 43.25 ? 115 VAL L N 1 ATOM 5279 C CA . VAL B 2 119 ? 22.186 -29.024 17.571 1.00 42.97 ? 115 VAL L CA 1 ATOM 5280 C C . VAL B 2 119 ? 22.079 -27.612 17.011 1.00 44.10 ? 115 VAL L C 1 ATOM 5281 O O . VAL B 2 119 ? 21.565 -26.710 17.671 1.00 48.28 ? 115 VAL L O 1 ATOM 5282 C CB . VAL B 2 119 ? 20.776 -29.617 17.728 1.00 46.58 ? 115 VAL L CB 1 ATOM 5283 C CG1 . VAL B 2 119 ? 20.051 -29.638 16.389 1.00 51.25 ? 115 VAL L CG1 1 ATOM 5284 C CG2 . VAL B 2 119 ? 20.856 -31.017 18.322 1.00 44.13 ? 115 VAL L CG2 1 ATOM 5285 H H . VAL B 2 119 ? 22.520 -28.581 19.462 1.00 51.90 ? 115 VAL L H 1 ATOM 5286 H HA . VAL B 2 119 ? 22.676 -29.573 16.923 1.00 51.57 ? 115 VAL L HA 1 ATOM 5287 H HB . VAL B 2 119 ? 20.260 -29.055 18.344 1.00 55.89 ? 115 VAL L HB 1 ATOM 5288 H HG11 . VAL B 2 119 ? 19.175 -30.011 16.514 1.00 61.50 ? 115 VAL L HG11 1 ATOM 5289 H HG12 . VAL B 2 119 ? 19.980 -28.739 16.058 1.00 61.50 ? 115 VAL L HG12 1 ATOM 5290 H HG13 . VAL B 2 119 ? 20.551 -30.176 15.772 1.00 61.50 ? 115 VAL L HG13 1 ATOM 5291 H HG21 . VAL B 2 119 ? 19.968 -31.370 18.412 1.00 52.96 ? 115 VAL L HG21 1 ATOM 5292 H HG22 . VAL B 2 119 ? 21.373 -31.575 17.736 1.00 52.96 ? 115 VAL L HG22 1 ATOM 5293 H HG23 . VAL B 2 119 ? 21.278 -30.967 19.183 1.00 52.96 ? 115 VAL L HG23 1 ATOM 5294 N N . THR B 2 120 ? 22.571 -27.433 15.789 1.00 40.62 ? 116 THR L N 1 ATOM 5295 C CA . THR B 2 120 ? 22.502 -26.148 15.104 1.00 42.43 ? 116 THR L CA 1 ATOM 5296 C C . THR B 2 120 ? 21.726 -26.306 13.800 1.00 42.30 ? 116 THR L C 1 ATOM 5297 O O . THR B 2 120 ? 22.066 -27.144 12.966 1.00 41.25 ? 116 THR L O 1 ATOM 5298 C CB . THR B 2 120 ? 23.907 -25.601 14.790 1.00 44.63 ? 116 THR L CB 1 ATOM 5299 O OG1 . THR B 2 120 ? 24.668 -25.498 16.001 1.00 48.01 ? 116 THR L OG1 1 ATOM 5300 C CG2 . THR B 2 120 ? 23.816 -24.230 14.132 1.00 44.64 ? 116 THR L CG2 1 ATOM 5301 H H . THR B 2 120 ? 22.956 -28.050 15.329 1.00 48.74 ? 116 THR L H 1 ATOM 5302 H HA . THR B 2 120 ? 22.033 -25.499 15.670 1.00 50.92 ? 116 THR L HA 1 ATOM 5303 H HB . THR B 2 120 ? 24.357 -26.204 14.178 1.00 53.55 ? 116 THR L HB 1 ATOM 5304 H HG1 . THR B 2 120 ? 24.740 -26.237 16.350 1.00 57.61 ? 116 THR L HG1 1 ATOM 5305 H HG21 . THR B 2 120 ? 24.697 -23.899 13.941 1.00 53.57 ? 116 THR L HG21 1 ATOM 5306 H HG22 . THR B 2 120 ? 23.321 -24.293 13.311 1.00 53.57 ? 116 THR L HG22 1 ATOM 5307 H HG23 . THR B 2 120 ? 23.371 -23.614 14.718 1.00 53.57 ? 116 THR L HG23 1 ATOM 5308 N N . LEU B 2 121 ? 20.682 -25.500 13.630 1.00 41.17 ? 117 LEU L N 1 ATOM 5309 C CA . LEU B 2 121 ? 19.816 -25.609 12.461 1.00 40.61 ? 117 LEU L CA 1 ATOM 5310 C C . LEU B 2 121 ? 19.996 -24.421 11.517 1.00 40.26 ? 117 LEU L C 1 ATOM 5311 O O . LEU B 2 121 ? 19.689 -23.283 11.871 1.00 39.25 ? 117 LEU L O 1 ATOM 5312 C CB . LEU B 2 121 ? 18.353 -25.717 12.903 1.00 43.26 ? 117 LEU L CB 1 ATOM 5313 C CG . LEU B 2 121 ? 17.316 -25.953 11.802 1.00 46.60 ? 117 LEU L CG 1 ATOM 5314 C CD1 . LEU B 2 121 ? 17.725 -27.115 10.915 1.00 45.03 ? 117 LEU L CD1 1 ATOM 5315 C CD2 . LEU B 2 121 ? 15.946 -26.211 12.410 1.00 48.74 ? 117 LEU L CD2 1 ATOM 5316 H H . LEU B 2 121 ? 20.454 -24.879 14.179 1.00 49.40 ? 117 LEU L H 1 ATOM 5317 H HA . LEU B 2 121 ? 20.045 -26.425 11.968 1.00 48.73 ? 117 LEU L HA 1 ATOM 5318 H HB2 . LEU B 2 121 ? 18.280 -26.454 13.529 1.00 51.91 ? 117 LEU L HB2 1 ATOM 5319 H HB3 . LEU B 2 121 ? 18.111 -24.891 13.352 1.00 51.91 ? 117 LEU L HB3 1 ATOM 5320 H HG . LEU B 2 121 ? 17.255 -25.159 11.248 1.00 55.92 ? 117 LEU L HG 1 ATOM 5321 H HD11 . LEU B 2 121 ? 17.058 -27.239 10.237 1.00 54.04 ? 117 LEU L HD11 1 ATOM 5322 H HD12 . LEU B 2 121 ? 18.572 -26.915 10.510 1.00 54.04 ? 117 LEU L HD12 1 ATOM 5323 H HD13 . LEU B 2 121 ? 17.798 -27.907 11.453 1.00 54.04 ? 117 LEU L HD13 1 ATOM 5324 H HD21 . LEU B 2 121 ? 15.313 -26.357 11.704 1.00 58.49 ? 117 LEU L HD21 1 ATOM 5325 H HD22 . LEU B 2 121 ? 15.995 -26.989 12.972 1.00 58.49 ? 117 LEU L HD22 1 ATOM 5326 H HD23 . LEU B 2 121 ? 15.687 -25.447 12.931 1.00 58.49 ? 117 LEU L HD23 1 ATOM 5327 N N . PHE B 2 122 ? 20.492 -24.698 10.314 1.00 40.40 ? 118 PHE L N 1 ATOM 5328 C CA . PHE B 2 122 ? 20.754 -23.656 9.325 1.00 45.27 ? 118 PHE L CA 1 ATOM 5329 C C . PHE B 2 122 ? 19.575 -23.462 8.377 1.00 49.17 ? 118 PHE L C 1 ATOM 5330 O O . PHE B 2 122 ? 19.100 -24.423 7.772 1.00 51.73 ? 118 PHE L O 1 ATOM 5331 C CB . PHE B 2 122 ? 21.991 -24.009 8.501 1.00 44.61 ? 118 PHE L CB 1 ATOM 5332 C CG . PHE B 2 122 ? 23.267 -24.016 9.290 1.00 44.03 ? 118 PHE L CG 1 ATOM 5333 C CD1 . PHE B 2 122 ? 23.935 -22.834 9.556 1.00 44.16 ? 118 PHE L CD1 1 ATOM 5334 C CD2 . PHE B 2 122 ? 23.803 -25.203 9.758 1.00 41.16 ? 118 PHE L CD2 1 ATOM 5335 C CE1 . PHE B 2 122 ? 25.111 -22.833 10.278 1.00 40.87 ? 118 PHE L CE1 1 ATOM 5336 C CE2 . PHE B 2 122 ? 24.980 -25.209 10.480 1.00 38.71 ? 118 PHE L CE2 1 ATOM 5337 C CZ . PHE B 2 122 ? 25.635 -24.022 10.740 1.00 38.13 ? 118 PHE L CZ 1 ATOM 5338 H H . PHE B 2 122 ? 20.687 -25.490 10.043 1.00 48.47 ? 118 PHE L H 1 ATOM 5339 H HA . PHE B 2 122 ? 20.921 -22.807 9.785 1.00 54.32 ? 118 PHE L HA 1 ATOM 5340 H HB2 . PHE B 2 122 ? 21.872 -24.894 8.123 1.00 53.54 ? 118 PHE L HB2 1 ATOM 5341 H HB3 . PHE B 2 122 ? 22.087 -23.358 7.788 1.00 53.54 ? 118 PHE L HB3 1 ATOM 5342 H HD1 . PHE B 2 122 ? 23.586 -22.029 9.247 1.00 53.00 ? 118 PHE L HD1 1 ATOM 5343 H HD2 . PHE B 2 122 ? 23.366 -26.006 9.585 1.00 49.40 ? 118 PHE L HD2 1 ATOM 5344 H HE1 . PHE B 2 122 ? 25.550 -22.032 10.452 1.00 49.04 ? 118 PHE L HE1 1 ATOM 5345 H HE2 . PHE B 2 122 ? 25.331 -26.012 10.791 1.00 46.46 ? 118 PHE L HE2 1 ATOM 5346 H HZ . PHE B 2 122 ? 26.427 -24.024 11.227 1.00 45.76 ? 118 PHE L HZ 1 ATOM 5347 N N . PRO B 2 123 ? 19.098 -22.215 8.240 1.00 51.54 ? 119 PRO L N 1 ATOM 5348 C CA . PRO B 2 123 ? 18.065 -21.908 7.245 1.00 55.85 ? 119 PRO L CA 1 ATOM 5349 C C . PRO B 2 123 ? 18.643 -21.910 5.835 1.00 58.68 ? 119 PRO L C 1 ATOM 5350 O O . PRO B 2 123 ? 19.864 -21.854 5.683 1.00 57.82 ? 119 PRO L O 1 ATOM 5351 C CB . PRO B 2 123 ? 17.614 -20.489 7.620 1.00 59.34 ? 119 PRO L CB 1 ATOM 5352 C CG . PRO B 2 123 ? 18.198 -20.214 8.970 1.00 59.18 ? 119 PRO L CG 1 ATOM 5353 C CD . PRO B 2 123 ? 19.431 -21.041 9.062 1.00 54.75 ? 119 PRO L CD 1 ATOM 5354 H HA . PRO B 2 123 ? 17.312 -22.533 7.307 1.00 67.02 ? 119 PRO L HA 1 ATOM 5355 H HB2 . PRO B 2 123 ? 17.953 -19.857 6.966 1.00 71.21 ? 119 PRO L HB2 1 ATOM 5356 H HB3 . PRO B 2 123 ? 16.645 -20.455 7.655 1.00 71.21 ? 119 PRO L HB3 1 ATOM 5357 H HG2 . PRO B 2 123 ? 18.415 -19.271 9.043 1.00 71.02 ? 119 PRO L HG2 1 ATOM 5358 H HG3 . PRO B 2 123 ? 17.563 -20.471 9.656 1.00 71.02 ? 119 PRO L HG3 1 ATOM 5359 H HD2 . PRO B 2 123 ? 20.188 -20.566 8.685 1.00 65.70 ? 119 PRO L HD2 1 ATOM 5360 H HD3 . PRO B 2 123 ? 19.595 -21.305 9.981 1.00 65.70 ? 119 PRO L HD3 1 ATOM 5361 N N . PRO B 2 124 ? 17.778 -21.968 4.811 1.00 61.84 ? 120 PRO L N 1 ATOM 5362 C CA . PRO B 2 124 ? 18.251 -21.914 3.424 1.00 60.59 ? 120 PRO L CA 1 ATOM 5363 C C . PRO B 2 124 ? 19.057 -20.647 3.159 1.00 57.92 ? 120 PRO L C 1 ATOM 5364 O O . PRO B 2 124 ? 18.620 -19.556 3.525 1.00 56.45 ? 120 PRO L O 1 ATOM 5365 C CB . PRO B 2 124 ? 16.952 -21.892 2.612 1.00 63.51 ? 120 PRO L CB 1 ATOM 5366 C CG . PRO B 2 124 ? 15.930 -22.502 3.502 1.00 63.37 ? 120 PRO L CG 1 ATOM 5367 C CD . PRO B 2 124 ? 16.313 -22.098 4.890 1.00 63.46 ? 120 PRO L CD 1 ATOM 5368 H HA . PRO B 2 124 ? 18.779 -22.707 3.198 1.00 72.71 ? 120 PRO L HA 1 ATOM 5369 H HB2 . PRO B 2 124 ? 16.716 -20.976 2.396 1.00 76.21 ? 120 PRO L HB2 1 ATOM 5370 H HB3 . PRO B 2 124 ? 17.062 -22.418 1.805 1.00 76.21 ? 120 PRO L HB3 1 ATOM 5371 H HG2 . PRO B 2 124 ? 15.053 -22.156 3.276 1.00 76.05 ? 120 PRO L HG2 1 ATOM 5372 H HG3 . PRO B 2 124 ? 15.952 -23.468 3.409 1.00 76.05 ? 120 PRO L HG3 1 ATOM 5373 H HD2 . PRO B 2 124 ? 15.910 -21.246 5.118 1.00 76.15 ? 120 PRO L HD2 1 ATOM 5374 H HD3 . PRO B 2 124 ? 16.068 -22.790 5.524 1.00 76.15 ? 120 PRO L HD3 1 ATOM 5375 N N . SER B 2 125 ? 20.220 -20.791 2.533 1.00 56.03 ? 121 SER L N 1 ATOM 5376 C CA . SER B 2 125 ? 21.057 -19.642 2.225 1.00 56.85 ? 121 SER L CA 1 ATOM 5377 C C . SER B 2 125 ? 20.371 -18.769 1.184 1.00 60.64 ? 121 SER L C 1 ATOM 5378 O O . SER B 2 125 ? 19.596 -19.262 0.365 1.00 63.54 ? 121 SER L O 1 ATOM 5379 C CB . SER B 2 125 ? 22.413 -20.098 1.695 1.00 57.41 ? 121 SER L CB 1 ATOM 5380 O OG . SER B 2 125 ? 22.281 -20.631 0.391 1.00 60.02 ? 121 SER L OG 1 ATOM 5381 H H . SER B 2 125 ? 20.545 -21.544 2.275 1.00 67.24 ? 121 SER L H 1 ATOM 5382 H HA . SER B 2 125 ? 21.200 -19.110 3.036 1.00 68.22 ? 121 SER L HA 1 ATOM 5383 H HB2 . SER B 2 125 ? 23.014 -19.337 1.667 1.00 68.89 ? 121 SER L HB2 1 ATOM 5384 H HB3 . SER B 2 125 ? 22.770 -20.782 2.282 1.00 68.89 ? 121 SER L HB3 1 ATOM 5385 H HG . SER B 2 125 ? 23.013 -20.874 0.112 1.00 72.02 ? 121 SER L HG 1 ATOM 5386 N N . SER B 2 126 ? 20.662 -17.474 1.213 1.00 61.64 ? 122 SER L N 1 ATOM 5387 C CA . SER B 2 126 ? 20.072 -16.541 0.262 1.00 64.09 ? 122 SER L CA 1 ATOM 5388 C C . SER B 2 126 ? 20.439 -16.933 -1.165 1.00 62.86 ? 122 SER L C 1 ATOM 5389 O O . SER B 2 126 ? 19.623 -16.817 -2.078 1.00 64.07 ? 122 SER L O 1 ATOM 5390 C CB . SER B 2 126 ? 20.540 -15.114 0.552 1.00 70.30 ? 122 SER L CB 1 ATOM 5391 O OG . SER B 2 126 ? 19.919 -14.186 -0.320 1.00 80.18 ? 122 SER L OG 1 ATOM 5392 H H . SER B 2 126 ? 21.199 -17.109 1.776 1.00 73.97 ? 122 SER L H 1 ATOM 5393 H HA . SER B 2 126 ? 19.096 -16.567 0.347 1.00 76.91 ? 122 SER L HA 1 ATOM 5394 H HB2 . SER B 2 126 ? 20.312 -14.887 1.467 1.00 84.37 ? 122 SER L HB2 1 ATOM 5395 H HB3 . SER B 2 126 ? 21.502 -15.067 0.429 1.00 84.37 ? 122 SER L HB3 1 ATOM 5396 H HG . SER B 2 126 ? 20.180 -13.427 -0.154 1.00 96.22 ? 122 SER L HG 1 ATOM 5397 N N . GLU B 2 127 ? 21.667 -17.408 -1.350 1.00 62.21 ? 123 GLU L N 1 ATOM 5398 C CA . GLU B 2 127 ? 22.149 -17.777 -2.676 1.00 67.22 ? 123 GLU L CA 1 ATOM 5399 C C . GLU B 2 127 ? 21.354 -18.946 -3.242 1.00 59.58 ? 123 GLU L C 1 ATOM 5400 O O . GLU B 2 127 ? 20.963 -18.934 -4.409 1.00 60.87 ? 123 GLU L O 1 ATOM 5401 C CB . GLU B 2 127 ? 23.637 -18.131 -2.630 1.00 80.83 ? 123 GLU L CB 1 ATOM 5402 C CG . GLU B 2 127 ? 24.530 -16.983 -2.185 1.00 98.53 ? 123 GLU L CG 1 ATOM 5403 C CD . GLU B 2 127 ? 26.005 -17.291 -2.353 1.00 110.42 ? 123 GLU L CD 1 ATOM 5404 O OE1 . GLU B 2 127 ? 26.331 -18.344 -2.940 1.00 114.81 ? 123 GLU L OE1 1 ATOM 5405 O OE2 . GLU B 2 127 ? 26.838 -16.478 -1.898 1.00 113.82 ? 123 GLU L OE2 1 ATOM 5406 H H . GLU B 2 127 ? 22.242 -17.526 -0.721 1.00 74.65 ? 123 GLU L H 1 ATOM 5407 H HA . GLU B 2 127 ? 22.037 -17.013 -3.280 1.00 80.67 ? 123 GLU L HA 1 ATOM 5408 H HB2 . GLU B 2 127 ? 23.764 -18.864 -2.008 1.00 96.99 ? 123 GLU L HB2 1 ATOM 5409 H HB3 . GLU B 2 127 ? 23.921 -18.400 -3.518 1.00 96.99 ? 123 GLU L HB3 1 ATOM 5410 H HG2 . GLU B 2 127 ? 24.325 -16.198 -2.717 1.00 118.23 ? 123 GLU L HG2 1 ATOM 5411 H HG3 . GLU B 2 127 ? 24.366 -16.801 -1.247 1.00 118.23 ? 123 GLU L HG3 1 ATOM 5412 N N . GLU B 2 128 ? 21.112 -19.954 -2.410 1.00 53.67 ? 124 GLU L N 1 ATOM 5413 C CA . GLU B 2 128 ? 20.363 -21.126 -2.845 1.00 56.56 ? 124 GLU L CA 1 ATOM 5414 C C . GLU B 2 128 ? 18.936 -20.733 -3.204 1.00 60.58 ? 124 GLU L C 1 ATOM 5415 O O . GLU B 2 128 ? 18.373 -21.232 -4.178 1.00 60.72 ? 124 GLU L O 1 ATOM 5416 C CB . GLU B 2 128 ? 20.356 -22.199 -1.756 1.00 56.82 ? 124 GLU L CB 1 ATOM 5417 C CG . GLU B 2 128 ? 19.752 -23.518 -2.203 1.00 61.99 ? 124 GLU L CG 1 ATOM 5418 C CD . GLU B 2 128 ? 19.747 -24.561 -1.103 1.00 67.18 ? 124 GLU L CD 1 ATOM 5419 O OE1 . GLU B 2 128 ? 20.011 -24.201 0.064 1.00 68.43 ? 124 GLU L OE1 1 ATOM 5420 O OE2 . GLU B 2 128 ? 19.481 -25.743 -1.406 1.00 68.46 ? 124 GLU L OE2 1 ATOM 5421 H H . GLU B 2 128 ? 21.370 -19.984 -1.591 1.00 64.40 ? 124 GLU L H 1 ATOM 5422 H HA . GLU B 2 128 ? 20.788 -21.502 -3.643 1.00 67.87 ? 124 GLU L HA 1 ATOM 5423 H HB2 . GLU B 2 128 ? 21.269 -22.370 -1.479 1.00 68.18 ? 124 GLU L HB2 1 ATOM 5424 H HB3 . GLU B 2 128 ? 19.838 -21.876 -1.002 1.00 68.18 ? 124 GLU L HB3 1 ATOM 5425 H HG2 . GLU B 2 128 ? 18.834 -23.368 -2.479 1.00 74.39 ? 124 GLU L HG2 1 ATOM 5426 H HG3 . GLU B 2 128 ? 20.269 -23.867 -2.946 1.00 74.39 ? 124 GLU L HG3 1 ATOM 5427 N N . LEU B 2 129 ? 18.357 -19.833 -2.416 1.00 63.88 ? 125 LEU L N 1 ATOM 5428 C CA . LEU B 2 129 ? 17.008 -19.346 -2.681 1.00 67.52 ? 125 LEU L CA 1 ATOM 5429 C C . LEU B 2 129 ? 16.925 -18.688 -4.055 1.00 70.65 ? 125 LEU L C 1 ATOM 5430 O O . LEU B 2 129 ? 15.973 -18.916 -4.801 1.00 72.46 ? 125 LEU L O 1 ATOM 5431 C CB . LEU B 2 129 ? 16.571 -18.356 -1.600 1.00 69.80 ? 125 LEU L CB 1 ATOM 5432 C CG . LEU B 2 129 ? 16.270 -18.957 -0.225 1.00 71.02 ? 125 LEU L CG 1 ATOM 5433 C CD1 . LEU B 2 129 ? 15.962 -17.859 0.780 1.00 76.17 ? 125 LEU L CD1 1 ATOM 5434 C CD2 . LEU B 2 129 ? 15.116 -19.945 -0.305 1.00 70.80 ? 125 LEU L CD2 1 ATOM 5435 H H . LEU B 2 129 ? 18.725 -19.488 -1.720 1.00 76.65 ? 125 LEU L H 1 ATOM 5436 H HA . LEU B 2 129 ? 16.387 -20.103 -2.669 1.00 81.02 ? 125 LEU L HA 1 ATOM 5437 H HB2 . LEU B 2 129 ? 17.277 -17.702 -1.481 1.00 83.76 ? 125 LEU L HB2 1 ATOM 5438 H HB3 . LEU B 2 129 ? 15.765 -17.910 -1.903 1.00 83.76 ? 125 LEU L HB3 1 ATOM 5439 H HG . LEU B 2 129 ? 17.053 -19.437 0.087 1.00 85.23 ? 125 LEU L HG 1 ATOM 5440 H HD11 . LEU B 2 129 ? 15.777 -18.259 1.633 1.00 91.40 ? 125 LEU L HD11 1 ATOM 5441 H HD12 . LEU B 2 129 ? 16.722 -17.277 0.849 1.00 91.40 ? 125 LEU L HD12 1 ATOM 5442 H HD13 . LEU B 2 129 ? 15.197 -17.364 0.477 1.00 91.40 ? 125 LEU L HD13 1 ATOM 5443 H HD21 . LEU B 2 129 ? 14.951 -20.305 0.570 1.00 84.96 ? 125 LEU L HD21 1 ATOM 5444 H HD22 . LEU B 2 129 ? 14.334 -19.487 -0.624 1.00 84.96 ? 125 LEU L HD22 1 ATOM 5445 H HD23 . LEU B 2 129 ? 15.351 -20.652 -0.910 1.00 84.96 ? 125 LEU L HD23 1 ATOM 5446 N N . GLN B 2 130 ? 17.922 -17.875 -4.388 1.00 71.88 ? 126 GLN L N 1 ATOM 5447 C CA . GLN B 2 130 ? 17.960 -17.222 -5.692 1.00 80.37 ? 126 GLN L CA 1 ATOM 5448 C C . GLN B 2 130 ? 18.088 -18.264 -6.798 1.00 77.94 ? 126 GLN L C 1 ATOM 5449 O O . GLN B 2 130 ? 17.653 -18.039 -7.927 1.00 81.72 ? 126 GLN L O 1 ATOM 5450 C CB . GLN B 2 130 ? 19.117 -16.223 -5.775 1.00 90.77 ? 126 GLN L CB 1 ATOM 5451 C CG . GLN B 2 130 ? 19.069 -15.118 -4.731 1.00 101.10 ? 126 GLN L CG 1 ATOM 5452 C CD . GLN B 2 130 ? 17.668 -14.584 -4.506 1.00 110.30 ? 126 GLN L CD 1 ATOM 5453 O OE1 . GLN B 2 130 ? 17.081 -13.955 -5.387 1.00 118.01 ? 126 GLN L OE1 1 ATOM 5454 N NE2 . GLN B 2 130 ? 17.120 -14.841 -3.322 1.00 108.68 ? 126 GLN L NE2 1 ATOM 5455 H H . GLN B 2 130 ? 18.588 -17.685 -3.878 1.00 86.26 ? 126 GLN L H 1 ATOM 5456 H HA . GLN B 2 130 ? 17.122 -16.732 -5.830 1.00 96.45 ? 126 GLN L HA 1 ATOM 5457 H HB2 . GLN B 2 130 ? 19.952 -16.703 -5.657 1.00 108.92 ? 126 GLN L HB2 1 ATOM 5458 H HB3 . GLN B 2 130 ? 19.103 -15.803 -6.649 1.00 108.92 ? 126 GLN L HB3 1 ATOM 5459 H HG2 . GLN B 2 130 ? 19.397 -15.466 -3.887 1.00 121.32 ? 126 GLN L HG2 1 ATOM 5460 H HG3 . GLN B 2 130 ? 19.627 -14.380 -5.025 1.00 121.32 ? 126 GLN L HG3 1 ATOM 5461 H HE21 . GLN B 2 130 ? 17.559 -15.287 -2.733 1.00 130.41 ? 126 GLN L HE21 1 ATOM 5462 H HE22 . GLN B 2 130 ? 16.327 -14.560 -3.146 1.00 130.41 ? 126 GLN L HE22 1 ATOM 5463 N N . ALA B 2 131 ? 18.684 -19.405 -6.464 1.00 72.33 ? 127 ALA L N 1 ATOM 5464 C CA . ALA B 2 131 ? 18.813 -20.509 -7.409 1.00 72.36 ? 127 ALA L CA 1 ATOM 5465 C C . ALA B 2 131 ? 17.552 -21.373 -7.423 1.00 74.43 ? 127 ALA L C 1 ATOM 5466 O O . ALA B 2 131 ? 17.525 -22.438 -8.042 1.00 76.92 ? 127 ALA L O 1 ATOM 5467 C CB . ALA B 2 131 ? 20.031 -21.354 -7.069 1.00 68.05 ? 127 ALA L CB 1 ATOM 5468 H H . ALA B 2 131 ? 19.025 -19.565 -5.691 1.00 86.80 ? 127 ALA L H 1 ATOM 5469 H HA . ALA B 2 131 ? 18.940 -20.144 -8.310 1.00 86.83 ? 127 ALA L HA 1 ATOM 5470 H HB1 . ALA B 2 131 ? 20.098 -22.073 -7.701 1.00 81.66 ? 127 ALA L HB1 1 ATOM 5471 H HB2 . ALA B 2 131 ? 20.816 -20.803 -7.115 1.00 81.66 ? 127 ALA L HB2 1 ATOM 5472 H HB3 . ALA B 2 131 ? 19.929 -21.706 -6.182 1.00 81.66 ? 127 ALA L HB3 1 ATOM 5473 N N . ASN B 2 132 ? 16.514 -20.909 -6.734 1.00 74.14 ? 128 ASN L N 1 ATOM 5474 C CA . ASN B 2 132 ? 15.216 -21.578 -6.729 1.00 76.26 ? 128 ASN L CA 1 ATOM 5475 C C . ASN B 2 132 ? 15.254 -22.935 -6.034 1.00 73.20 ? 128 ASN L C 1 ATOM 5476 O O . ASN B 2 132 ? 14.625 -23.894 -6.483 1.00 71.24 ? 128 ASN L O 1 ATOM 5477 C CB . ASN B 2 132 ? 14.695 -21.739 -8.158 1.00 82.52 ? 128 ASN L CB 1 ATOM 5478 C CG . ASN B 2 132 ? 13.212 -22.051 -8.204 1.00 88.18 ? 128 ASN L CG 1 ATOM 5479 O OD1 . ASN B 2 132 ? 12.461 -21.680 -7.302 1.00 88.35 ? 128 ASN L OD1 1 ATOM 5480 N ND2 . ASN B 2 132 ? 12.784 -22.736 -9.256 1.00 93.11 ? 128 ASN L ND2 1 ATOM 5481 H H . ASN B 2 132 ? 16.537 -20.197 -6.252 1.00 88.97 ? 128 ASN L H 1 ATOM 5482 H HA . ASN B 2 132 ? 14.578 -21.015 -6.243 1.00 91.51 ? 128 ASN L HA 1 ATOM 5483 H HB2 . ASN B 2 132 ? 14.843 -20.913 -8.645 1.00 99.02 ? 128 ASN L HB2 1 ATOM 5484 H HB3 . ASN B 2 132 ? 15.169 -22.469 -8.588 1.00 99.02 ? 128 ASN L HB3 1 ATOM 5485 H HD21 . ASN B 2 132 ? 13.339 -22.979 -9.866 1.00 111.73 ? 128 ASN L HD21 1 ATOM 5486 H HD22 . ASN B 2 132 ? 11.951 -22.938 -9.328 1.00 111.73 ? 128 ASN L HD22 1 ATOM 5487 N N . LYS B 2 133 ? 15.993 -23.006 -4.933 1.00 73.26 ? 129 LYS L N 1 ATOM 5488 C CA . LYS B 2 133 ? 16.065 -24.216 -4.126 1.00 69.64 ? 129 LYS L CA 1 ATOM 5489 C C . LYS B 2 133 ? 16.133 -23.843 -2.651 1.00 61.14 ? 129 LYS L C 1 ATOM 5490 O O . LYS B 2 133 ? 16.369 -22.685 -2.308 1.00 58.43 ? 129 LYS L O 1 ATOM 5491 C CB . LYS B 2 133 ? 17.280 -25.057 -4.525 1.00 73.86 ? 129 LYS L CB 1 ATOM 5492 C CG . LYS B 2 133 ? 17.028 -25.972 -5.715 1.00 84.22 ? 129 LYS L CG 1 ATOM 5493 C CD . LYS B 2 133 ? 18.321 -26.349 -6.420 1.00 92.13 ? 129 LYS L CD 1 ATOM 5494 C CE . LYS B 2 133 ? 18.107 -27.480 -7.414 1.00 97.62 ? 129 LYS L CE 1 ATOM 5495 N NZ . LYS B 2 133 ? 17.923 -28.796 -6.738 1.00 96.07 ? 129 LYS L NZ 1 ATOM 5496 H H . LYS B 2 133 ? 16.469 -22.357 -4.629 1.00 87.91 ? 129 LYS L H 1 ATOM 5497 H HA . LYS B 2 133 ? 15.258 -24.752 -4.272 1.00 83.57 ? 129 LYS L HA 1 ATOM 5498 H HB2 . LYS B 2 133 ? 18.009 -24.461 -4.758 1.00 88.63 ? 129 LYS L HB2 1 ATOM 5499 H HB3 . LYS B 2 133 ? 17.537 -25.612 -3.773 1.00 88.63 ? 129 LYS L HB3 1 ATOM 5500 H HG2 . LYS B 2 133 ? 16.602 -26.786 -5.407 1.00 101.06 ? 129 LYS L HG2 1 ATOM 5501 H HG3 . LYS B 2 133 ? 16.457 -25.516 -6.353 1.00 101.06 ? 129 LYS L HG3 1 ATOM 5502 H HD2 . LYS B 2 133 ? 18.658 -25.579 -6.903 1.00 110.56 ? 129 LYS L HD2 1 ATOM 5503 H HD3 . LYS B 2 133 ? 18.970 -26.643 -5.761 1.00 110.56 ? 129 LYS L HD3 1 ATOM 5504 H HE2 . LYS B 2 133 ? 17.312 -27.296 -7.939 1.00 117.15 ? 129 LYS L HE2 1 ATOM 5505 H HE3 . LYS B 2 133 ? 18.882 -27.544 -7.993 1.00 117.15 ? 129 LYS L HE3 1 ATOM 5506 H HZ1 . LYS B 2 133 ? 17.800 -29.435 -7.345 1.00 115.29 ? 129 LYS L HZ1 1 ATOM 5507 H HZ2 . LYS B 2 133 ? 18.642 -28.992 -6.253 1.00 115.29 ? 129 LYS L HZ2 1 ATOM 5508 H HZ3 . LYS B 2 133 ? 17.212 -28.765 -6.203 1.00 115.29 ? 129 LYS L HZ3 1 ATOM 5509 N N . ALA B 2 134 ? 15.922 -24.826 -1.781 1.00 56.56 ? 130 ALA L N 1 ATOM 5510 C CA . ALA B 2 134 ? 15.888 -24.582 -0.345 1.00 51.66 ? 130 ALA L CA 1 ATOM 5511 C C . ALA B 2 134 ? 16.241 -25.845 0.428 1.00 49.19 ? 130 ALA L C 1 ATOM 5512 O O . ALA B 2 134 ? 15.555 -26.862 0.320 1.00 52.72 ? 130 ALA L O 1 ATOM 5513 C CB . ALA B 2 134 ? 14.513 -24.077 0.069 1.00 52.25 ? 130 ALA L CB 1 ATOM 5514 H H . ALA B 2 134 ? 15.794 -25.648 -2.000 1.00 67.88 ? 130 ALA L H 1 ATOM 5515 H HA . ALA B 2 134 ? 16.547 -23.892 -0.121 1.00 61.99 ? 130 ALA L HA 1 ATOM 5516 H HB1 . ALA B 2 134 ? 14.510 -23.921 1.016 1.00 62.70 ? 130 ALA L HB1 1 ATOM 5517 H HB2 . ALA B 2 134 ? 14.327 -23.259 -0.399 1.00 62.70 ? 130 ALA L HB2 1 ATOM 5518 H HB3 . ALA B 2 134 ? 13.857 -24.740 -0.157 1.00 62.70 ? 130 ALA L HB3 1 ATOM 5519 N N . THR B 2 135 ? 17.317 -25.776 1.205 1.00 46.95 ? 131 THR L N 1 ATOM 5520 C CA . THR B 2 135 ? 17.737 -26.902 2.029 1.00 46.47 ? 131 THR L CA 1 ATOM 5521 C C . THR B 2 135 ? 17.949 -26.466 3.474 1.00 47.04 ? 131 THR L C 1 ATOM 5522 O O . THR B 2 135 ? 18.670 -25.503 3.745 1.00 45.93 ? 131 THR L O 1 ATOM 5523 C CB . THR B 2 135 ? 19.045 -27.532 1.508 1.00 46.24 ? 131 THR L CB 1 ATOM 5524 O OG1 . THR B 2 135 ? 18.912 -27.849 0.117 1.00 48.96 ? 131 THR L OG1 1 ATOM 5525 C CG2 . THR B 2 135 ? 19.372 -28.801 2.282 1.00 43.42 ? 131 THR L CG2 1 ATOM 5526 H H . THR B 2 135 ? 17.823 -25.084 1.273 1.00 56.34 ? 131 THR L H 1 ATOM 5527 H HA . THR B 2 135 ? 17.039 -27.590 2.015 1.00 55.76 ? 131 THR L HA 1 ATOM 5528 H HB . THR B 2 135 ? 19.774 -26.904 1.627 1.00 55.49 ? 131 THR L HB 1 ATOM 5529 H HG1 . THR B 2 135 ? 18.754 -27.169 -0.312 1.00 58.75 ? 131 THR L HG1 1 ATOM 5530 H HG21 . THR B 2 135 ? 20.187 -29.186 1.951 1.00 52.10 ? 131 THR L HG21 1 ATOM 5531 H HG22 . THR B 2 135 ? 19.479 -28.598 3.214 1.00 52.10 ? 131 THR L HG22 1 ATOM 5532 H HG23 . THR B 2 135 ? 18.662 -29.439 2.181 1.00 52.10 ? 131 THR L HG23 1 ATOM 5533 N N . LEU B 2 136 ? 17.304 -27.172 4.397 1.00 46.07 ? 132 LEU L N 1 ATOM 5534 C CA . LEU B 2 136 ? 17.533 -26.970 5.821 1.00 44.09 ? 132 LEU L CA 1 ATOM 5535 C C . LEU B 2 136 ? 18.587 -27.958 6.298 1.00 43.60 ? 132 LEU L C 1 ATOM 5536 O O . LEU B 2 136 ? 18.463 -29.161 6.072 1.00 46.86 ? 132 LEU L O 1 ATOM 5537 C CB . LEU B 2 136 ? 16.237 -27.172 6.608 1.00 46.29 ? 132 LEU L CB 1 ATOM 5538 C CG . LEU B 2 136 ? 15.176 -26.083 6.446 1.00 54.06 ? 132 LEU L CG 1 ATOM 5539 C CD1 . LEU B 2 136 ? 13.851 -26.549 7.008 1.00 53.64 ? 132 LEU L CD1 1 ATOM 5540 C CD2 . LEU B 2 136 ? 15.621 -24.808 7.135 1.00 60.20 ? 132 LEU L CD2 1 ATOM 5541 H H . LEU B 2 136 ? 16.723 -27.781 4.221 1.00 55.29 ? 132 LEU L H 1 ATOM 5542 H HA . LEU B 2 136 ? 17.859 -26.060 5.979 1.00 52.91 ? 132 LEU L HA 1 ATOM 5543 H HB2 . LEU B 2 136 ? 15.837 -28.009 6.326 1.00 55.54 ? 132 LEU L HB2 1 ATOM 5544 H HB3 . LEU B 2 136 ? 16.458 -27.221 7.551 1.00 55.54 ? 132 LEU L HB3 1 ATOM 5545 H HG . LEU B 2 136 ? 15.056 -25.892 5.502 1.00 64.88 ? 132 LEU L HG 1 ATOM 5546 H HD11 . LEU B 2 136 ? 13.201 -25.851 6.895 1.00 64.36 ? 132 LEU L HD11 1 ATOM 5547 H HD12 . LEU B 2 136 ? 13.571 -27.337 6.535 1.00 64.36 ? 132 LEU L HD12 1 ATOM 5548 H HD13 . LEU B 2 136 ? 13.960 -26.749 7.940 1.00 64.36 ? 132 LEU L HD13 1 ATOM 5549 H HD21 . LEU B 2 136 ? 14.942 -24.139 7.021 1.00 72.24 ? 132 LEU L HD21 1 ATOM 5550 H HD22 . LEU B 2 136 ? 15.751 -24.987 8.069 1.00 72.24 ? 132 LEU L HD22 1 ATOM 5551 H HD23 . LEU B 2 136 ? 16.444 -24.511 6.740 1.00 72.24 ? 132 LEU L HD23 1 ATOM 5552 N N . VAL B 2 137 ? 19.624 -27.449 6.955 1.00 41.52 ? 133 VAL L N 1 ATOM 5553 C CA . VAL B 2 137 ? 20.715 -28.295 7.421 1.00 38.57 ? 133 VAL L CA 1 ATOM 5554 C C . VAL B 2 137 ? 20.731 -28.369 8.941 1.00 41.24 ? 133 VAL L C 1 ATOM 5555 O O . VAL B 2 137 ? 20.827 -27.348 9.621 1.00 42.34 ? 133 VAL L O 1 ATOM 5556 C CB . VAL B 2 137 ? 22.078 -27.773 6.937 1.00 38.62 ? 133 VAL L CB 1 ATOM 5557 C CG1 . VAL B 2 137 ? 23.179 -28.757 7.298 1.00 36.22 ? 133 VAL L CG1 1 ATOM 5558 C CG2 . VAL B 2 137 ? 22.049 -27.526 5.436 1.00 38.64 ? 133 VAL L CG2 1 ATOM 5559 H H . VAL B 2 137 ? 19.719 -26.616 7.143 1.00 49.82 ? 133 VAL L H 1 ATOM 5560 H HA . VAL B 2 137 ? 20.592 -29.202 7.071 1.00 46.28 ? 133 VAL L HA 1 ATOM 5561 H HB . VAL B 2 137 ? 22.272 -26.921 7.382 1.00 46.35 ? 133 VAL L HB 1 ATOM 5562 H HG11 . VAL B 2 137 ? 24.019 -28.413 6.988 1.00 43.47 ? 133 VAL L HG11 1 ATOM 5563 H HG12 . VAL B 2 137 ? 23.201 -28.865 8.252 1.00 43.47 ? 133 VAL L HG12 1 ATOM 5564 H HG13 . VAL B 2 137 ? 22.994 -29.600 6.877 1.00 43.47 ? 133 VAL L HG13 1 ATOM 5565 H HG21 . VAL B 2 137 ? 22.907 -27.201 5.156 1.00 46.37 ? 133 VAL L HG21 1 ATOM 5566 H HG22 . VAL B 2 137 ? 21.848 -28.352 4.988 1.00 46.37 ? 133 VAL L HG22 1 ATOM 5567 H HG23 . VAL B 2 137 ? 21.372 -26.874 5.240 1.00 46.37 ? 133 VAL L HG23 1 ATOM 5568 N N . CYS B 2 138 ? 20.640 -29.586 9.467 1.00 42.58 ? 134 CYS L N 1 ATOM 5569 C CA . CYS B 2 138 ? 20.672 -29.805 10.905 1.00 39.15 ? 134 CYS L CA 1 ATOM 5570 C C . CYS B 2 138 ? 22.008 -30.423 11.300 1.00 35.51 ? 134 CYS L C 1 ATOM 5571 O O . CYS B 2 138 ? 22.264 -31.597 11.036 1.00 34.49 ? 134 CYS L O 1 ATOM 5572 C CB . CYS B 2 138 ? 19.520 -30.718 11.332 1.00 38.52 ? 134 CYS L CB 1 ATOM 5573 S SG . CYS B 2 138 ? 19.304 -30.872 13.124 1.00 43.07 ? 134 CYS L SG 1 ATOM 5574 H H . CYS B 2 138 ? 20.559 -30.307 9.006 1.00 51.10 ? 134 CYS L H 1 ATOM 5575 H HA . CYS B 2 138 ? 20.577 -28.947 11.369 1.00 46.97 ? 134 CYS L HA 1 ATOM 5576 H HB2 . CYS B 2 138 ? 18.694 -30.365 10.966 1.00 46.22 ? 134 CYS L HB2 1 ATOM 5577 H HB3 . CYS B 2 138 ? 19.681 -31.606 10.978 1.00 46.22 ? 134 CYS L HB3 1 ATOM 5578 N N . LEU B 2 139 ? 22.861 -29.615 11.920 1.00 33.44 ? 135 LEU L N 1 ATOM 5579 C CA . LEU B 2 139 ? 24.165 -30.074 12.381 1.00 33.94 ? 135 LEU L CA 1 ATOM 5580 C C . LEU B 2 139 ? 24.067 -30.637 13.797 1.00 33.61 ? 135 LEU L C 1 ATOM 5581 O O . LEU B 2 139 ? 23.662 -29.941 14.727 1.00 35.43 ? 135 LEU L O 1 ATOM 5582 C CB . LEU B 2 139 ? 25.172 -28.922 12.342 1.00 42.31 ? 135 LEU L CB 1 ATOM 5583 C CG . LEU B 2 139 ? 26.494 -29.147 13.079 1.00 50.60 ? 135 LEU L CG 1 ATOM 5584 C CD1 . LEU B 2 139 ? 27.280 -30.277 12.442 1.00 51.91 ? 135 LEU L CD1 1 ATOM 5585 C CD2 . LEU B 2 139 ? 27.314 -27.868 13.102 1.00 55.90 ? 135 LEU L CD2 1 ATOM 5586 H H . LEU B 2 139 ? 22.705 -28.786 12.088 1.00 40.12 ? 135 LEU L H 1 ATOM 5587 H HA . LEU B 2 139 ? 24.486 -30.785 11.788 1.00 40.73 ? 135 LEU L HA 1 ATOM 5588 H HB2 . LEU B 2 139 ? 25.387 -28.740 11.414 1.00 50.77 ? 135 LEU L HB2 1 ATOM 5589 H HB3 . LEU B 2 139 ? 24.754 -28.140 12.734 1.00 50.77 ? 135 LEU L HB3 1 ATOM 5590 H HG . LEU B 2 139 ? 26.304 -29.396 13.997 1.00 60.72 ? 135 LEU L HG 1 ATOM 5591 H HD11 . LEU B 2 139 ? 28.102 -30.396 12.924 1.00 62.30 ? 135 LEU L HD11 1 ATOM 5592 H HD12 . LEU B 2 139 ? 26.758 -31.082 12.482 1.00 62.30 ? 135 LEU L HD12 1 ATOM 5593 H HD13 . LEU B 2 139 ? 27.465 -30.052 11.527 1.00 62.30 ? 135 LEU L HD13 1 ATOM 5594 H HD21 . LEU B 2 139 ? 28.137 -28.033 13.568 1.00 67.08 ? 135 LEU L HD21 1 ATOM 5595 H HD22 . LEU B 2 139 ? 27.497 -27.598 12.199 1.00 67.08 ? 135 LEU L HD22 1 ATOM 5596 H HD23 . LEU B 2 139 ? 26.813 -27.184 13.553 1.00 67.08 ? 135 LEU L HD23 1 ATOM 5597 N N . ILE B 2 140 ? 24.442 -31.903 13.948 1.00 32.24 ? 136 ILE L N 1 ATOM 5598 C CA . ILE B 2 140 ? 24.419 -32.579 15.239 1.00 31.38 ? 136 ILE L CA 1 ATOM 5599 C C . ILE B 2 140 ? 25.848 -32.958 15.604 1.00 32.35 ? 136 ILE L C 1 ATOM 5600 O O . ILE B 2 140 ? 26.498 -33.699 14.871 1.00 32.32 ? 136 ILE L O 1 ATOM 5601 C CB . ILE B 2 140 ? 23.554 -33.850 15.176 1.00 30.02 ? 136 ILE L CB 1 ATOM 5602 C CG1 . ILE B 2 140 ? 22.269 -33.571 14.389 1.00 33.28 ? 136 ILE L CG1 1 ATOM 5603 C CG2 . ILE B 2 140 ? 23.233 -34.354 16.582 1.00 27.82 ? 136 ILE L CG2 1 ATOM 5604 C CD1 . ILE B 2 140 ? 21.431 -34.801 14.123 1.00 35.26 ? 136 ILE L CD1 1 ATOM 5605 H H . ILE B 2 140 ? 24.719 -32.401 13.303 1.00 38.69 ? 136 ILE L H 1 ATOM 5606 H HA . ILE B 2 140 ? 24.060 -31.980 15.926 1.00 37.66 ? 136 ILE L HA 1 ATOM 5607 H HB . ILE B 2 140 ? 24.054 -34.538 14.711 1.00 36.03 ? 136 ILE L HB 1 ATOM 5608 H HG12 . ILE B 2 140 ? 21.725 -32.946 14.892 1.00 39.94 ? 136 ILE L HG12 1 ATOM 5609 H HG13 . ILE B 2 140 ? 22.507 -33.184 13.532 1.00 39.94 ? 136 ILE L HG13 1 ATOM 5610 H HG21 . ILE B 2 140 ? 22.694 -35.146 16.514 1.00 33.38 ? 136 ILE L HG21 1 ATOM 5611 H HG22 . ILE B 2 140 ? 24.055 -34.555 17.036 1.00 33.38 ? 136 ILE L HG22 1 ATOM 5612 H HG23 . ILE B 2 140 ? 22.755 -33.671 17.057 1.00 33.38 ? 136 ILE L HG23 1 ATOM 5613 H HD11 . ILE B 2 140 ? 20.649 -34.545 13.629 1.00 42.31 ? 136 ILE L HD11 1 ATOM 5614 H HD12 . ILE B 2 140 ? 21.949 -35.429 13.614 1.00 42.31 ? 136 ILE L HD12 1 ATOM 5615 H HD13 . ILE B 2 140 ? 21.174 -35.192 14.962 1.00 42.31 ? 136 ILE L HD13 1 ATOM 5616 N N . SER B 2 141 ? 26.345 -32.453 16.730 1.00 33.72 ? 137 SER L N 1 ATOM 5617 C CA . SER B 2 141 ? 27.760 -32.616 17.050 1.00 37.46 ? 137 SER L CA 1 ATOM 5618 C C . SER B 2 141 ? 28.060 -32.853 18.527 1.00 36.28 ? 137 SER L C 1 ATOM 5619 O O . SER B 2 141 ? 27.237 -32.585 19.401 1.00 34.90 ? 137 SER L O 1 ATOM 5620 C CB . SER B 2 141 ? 28.538 -31.388 16.579 1.00 43.49 ? 137 SER L CB 1 ATOM 5621 O OG . SER B 2 141 ? 28.071 -30.216 17.220 1.00 47.15 ? 137 SER L OG 1 ATOM 5622 H H . SER B 2 141 ? 25.891 -32.018 17.318 1.00 40.46 ? 137 SER L H 1 ATOM 5623 H HA . SER B 2 141 ? 28.101 -33.389 16.554 1.00 44.95 ? 137 SER L HA 1 ATOM 5624 H HB2 . SER B 2 141 ? 29.477 -31.509 16.790 1.00 52.18 ? 137 SER L HB2 1 ATOM 5625 H HB3 . SER B 2 141 ? 28.424 -31.290 15.621 1.00 52.18 ? 137 SER L HB3 1 ATOM 5626 H HG . SER B 2 141 ? 28.496 -29.565 16.959 1.00 56.58 ? 137 SER L HG 1 ATOM 5627 N N . ASP B 2 142 ? 29.264 -33.363 18.775 1.00 37.64 ? 138 ASP L N 1 ATOM 5628 C CA . ASP B 2 142 ? 29.797 -33.538 20.122 1.00 40.85 ? 138 ASP L CA 1 ATOM 5629 C C . ASP B 2 142 ? 28.899 -34.381 21.021 1.00 38.73 ? 138 ASP L C 1 ATOM 5630 O O . ASP B 2 142 ? 28.583 -33.980 22.141 1.00 37.75 ? 138 ASP L O 1 ATOM 5631 C CB . ASP B 2 142 ? 30.043 -32.175 20.772 1.00 44.23 ? 138 ASP L CB 1 ATOM 5632 C CG . ASP B 2 142 ? 30.997 -31.313 19.969 1.00 50.14 ? 138 ASP L CG 1 ATOM 5633 O OD1 . ASP B 2 142 ? 32.225 -31.515 20.082 1.00 46.78 ? 138 ASP L OD1 1 ATOM 5634 O OD2 . ASP B 2 142 ? 30.519 -30.433 19.223 1.00 59.12 ? 138 ASP L OD2 1 ATOM 5635 H H . ASP B 2 142 ? 29.806 -33.623 18.160 1.00 45.16 ? 138 ASP L H 1 ATOM 5636 H HA . ASP B 2 142 ? 30.661 -33.995 20.057 1.00 49.02 ? 138 ASP L HA 1 ATOM 5637 H HB2 . ASP B 2 142 ? 29.200 -31.702 20.845 1.00 53.08 ? 138 ASP L HB2 1 ATOM 5638 H HB3 . ASP B 2 142 ? 30.427 -32.308 21.652 1.00 53.08 ? 138 ASP L HB3 1 ATOM 5639 N N . PHE B 2 143 ? 28.496 -35.550 20.534 1.00 36.42 ? 139 PHE L N 1 ATOM 5640 C CA . PHE B 2 143 ? 27.695 -36.464 21.341 1.00 37.47 ? 139 PHE L CA 1 ATOM 5641 C C . PHE B 2 143 ? 28.365 -37.827 21.485 1.00 40.24 ? 139 PHE L C 1 ATOM 5642 O O . PHE B 2 143 ? 29.182 -38.226 20.655 1.00 38.28 ? 139 PHE L O 1 ATOM 5643 C CB . PHE B 2 143 ? 26.283 -36.615 20.763 1.00 33.61 ? 139 PHE L CB 1 ATOM 5644 C CG . PHE B 2 143 ? 26.246 -37.120 19.346 1.00 31.14 ? 139 PHE L CG 1 ATOM 5645 C CD1 . PHE B 2 143 ? 26.230 -38.480 19.082 1.00 28.45 ? 139 PHE L CD1 1 ATOM 5646 C CD2 . PHE B 2 143 ? 26.207 -36.236 18.280 1.00 29.78 ? 139 PHE L CD2 1 ATOM 5647 C CE1 . PHE B 2 143 ? 26.189 -38.948 17.783 1.00 29.64 ? 139 PHE L CE1 1 ATOM 5648 C CE2 . PHE B 2 143 ? 26.165 -36.698 16.978 1.00 26.82 ? 139 PHE L CE2 1 ATOM 5649 C CZ . PHE B 2 143 ? 26.155 -38.055 16.729 1.00 27.79 ? 139 PHE L CZ 1 ATOM 5650 H H . PHE B 2 143 ? 28.672 -35.837 19.742 1.00 43.71 ? 139 PHE L H 1 ATOM 5651 H HA . PHE B 2 143 ? 27.605 -36.084 22.240 1.00 44.96 ? 139 PHE L HA 1 ATOM 5652 H HB2 . PHE B 2 143 ? 25.787 -37.242 21.313 1.00 40.33 ? 139 PHE L HB2 1 ATOM 5653 H HB3 . PHE B 2 143 ? 25.846 -35.749 20.779 1.00 40.33 ? 139 PHE L HB3 1 ATOM 5654 H HD1 . PHE B 2 143 ? 26.253 -39.085 19.787 1.00 34.14 ? 139 PHE L HD1 1 ATOM 5655 H HD2 . PHE B 2 143 ? 26.213 -35.320 18.442 1.00 35.74 ? 139 PHE L HD2 1 ATOM 5656 H HE1 . PHE B 2 143 ? 26.182 -39.863 17.617 1.00 35.57 ? 139 PHE L HE1 1 ATOM 5657 H HE2 . PHE B 2 143 ? 26.143 -36.095 16.270 1.00 32.18 ? 139 PHE L HE2 1 ATOM 5658 H HZ . PHE B 2 143 ? 26.128 -38.368 15.854 1.00 33.35 ? 139 PHE L HZ 1 ATOM 5659 N N . TYR B 2 144 ? 28.017 -38.525 22.561 1.00 40.83 ? 140 TYR L N 1 ATOM 5660 C CA . TYR B 2 144 ? 28.571 -39.839 22.852 1.00 37.14 ? 140 TYR L CA 1 ATOM 5661 C C . TYR B 2 144 ? 27.644 -40.558 23.824 1.00 35.72 ? 140 TYR L C 1 ATOM 5662 O O . TYR B 2 144 ? 27.212 -39.964 24.810 1.00 35.03 ? 140 TYR L O 1 ATOM 5663 C CB . TYR B 2 144 ? 29.963 -39.702 23.468 1.00 35.28 ? 140 TYR L CB 1 ATOM 5664 C CG . TYR B 2 144 ? 30.664 -41.022 23.682 1.00 34.18 ? 140 TYR L CG 1 ATOM 5665 C CD1 . TYR B 2 144 ? 30.598 -41.675 24.905 1.00 33.87 ? 140 TYR L CD1 1 ATOM 5666 C CD2 . TYR B 2 144 ? 31.390 -41.617 22.658 1.00 31.45 ? 140 TYR L CD2 1 ATOM 5667 C CE1 . TYR B 2 144 ? 31.236 -42.885 25.103 1.00 35.35 ? 140 TYR L CE1 1 ATOM 5668 C CE2 . TYR B 2 144 ? 32.031 -42.826 22.846 1.00 32.06 ? 140 TYR L CE2 1 ATOM 5669 C CZ . TYR B 2 144 ? 31.949 -43.456 24.070 1.00 35.40 ? 140 TYR L CZ 1 ATOM 5670 O OH . TYR B 2 144 ? 32.591 -44.658 24.255 1.00 36.64 ? 140 TYR L OH 1 ATOM 5671 H H . TYR B 2 144 ? 27.452 -38.252 23.148 1.00 49.00 ? 140 TYR L H 1 ATOM 5672 H HA . TYR B 2 144 ? 28.638 -40.365 22.027 1.00 44.57 ? 140 TYR L HA 1 ATOM 5673 H HB2 . TYR B 2 144 ? 30.515 -39.165 22.878 1.00 42.34 ? 140 TYR L HB2 1 ATOM 5674 H HB3 . TYR B 2 144 ? 29.882 -39.266 24.330 1.00 42.34 ? 140 TYR L HB3 1 ATOM 5675 H HD1 . TYR B 2 144 ? 30.116 -41.293 25.602 1.00 40.64 ? 140 TYR L HD1 1 ATOM 5676 H HD2 . TYR B 2 144 ? 31.445 -41.195 21.831 1.00 37.74 ? 140 TYR L HD2 1 ATOM 5677 H HE1 . TYR B 2 144 ? 31.184 -43.312 25.927 1.00 42.42 ? 140 TYR L HE1 1 ATOM 5678 H HE2 . TYR B 2 144 ? 32.514 -43.212 22.152 1.00 38.47 ? 140 TYR L HE2 1 ATOM 5679 H HH . TYR B 2 144 ? 33.397 -44.568 24.129 1.00 43.97 ? 140 TYR L HH 1 ATOM 5680 N N . PRO B 2 145 ? 27.332 -41.838 23.556 1.00 34.55 ? 141 PRO L N 1 ATOM 5681 C CA . PRO B 2 145 ? 27.805 -42.655 22.432 1.00 32.14 ? 141 PRO L CA 1 ATOM 5682 C C . PRO B 2 145 ? 27.277 -42.160 21.088 1.00 31.22 ? 141 PRO L C 1 ATOM 5683 O O . PRO B 2 145 ? 26.439 -41.259 21.054 1.00 29.47 ? 141 PRO L O 1 ATOM 5684 C CB . PRO B 2 145 ? 27.235 -44.048 22.740 1.00 32.10 ? 141 PRO L CB 1 ATOM 5685 C CG . PRO B 2 145 ? 26.822 -44.006 24.176 1.00 35.51 ? 141 PRO L CG 1 ATOM 5686 C CD . PRO B 2 145 ? 26.414 -42.595 24.420 1.00 34.80 ? 141 PRO L CD 1 ATOM 5687 H HA . PRO B 2 145 ? 28.784 -42.692 22.413 1.00 38.56 ? 141 PRO L HA 1 ATOM 5688 H HB2 . PRO B 2 145 ? 26.469 -44.220 22.170 1.00 38.52 ? 141 PRO L HB2 1 ATOM 5689 H HB3 . PRO B 2 145 ? 27.922 -44.718 22.602 1.00 38.52 ? 141 PRO L HB3 1 ATOM 5690 H HG2 . PRO B 2 145 ? 26.076 -44.609 24.319 1.00 42.61 ? 141 PRO L HG2 1 ATOM 5691 H HG3 . PRO B 2 145 ? 27.574 -44.248 24.739 1.00 42.61 ? 141 PRO L HG3 1 ATOM 5692 H HD2 . PRO B 2 145 ? 25.495 -42.454 24.146 1.00 41.76 ? 141 PRO L HD2 1 ATOM 5693 H HD3 . PRO B 2 145 ? 26.550 -42.358 25.351 1.00 41.76 ? 141 PRO L HD3 1 ATOM 5694 N N . GLY B 2 146 ? 27.755 -42.759 20.000 1.00 30.71 ? 142 GLY L N 1 ATOM 5695 C CA . GLY B 2 146 ? 27.467 -42.269 18.664 1.00 33.83 ? 142 GLY L CA 1 ATOM 5696 C C . GLY B 2 146 ? 26.256 -42.903 18.003 1.00 36.25 ? 142 GLY L C 1 ATOM 5697 O O . GLY B 2 146 ? 26.387 -43.620 17.012 1.00 39.44 ? 142 GLY L O 1 ATOM 5698 H H . GLY B 2 146 ? 28.254 -43.459 20.014 1.00 36.85 ? 142 GLY L H 1 ATOM 5699 H HA2 . GLY B 2 146 ? 27.318 -41.311 18.705 1.00 40.59 ? 142 GLY L HA2 1 ATOM 5700 H HA3 . GLY B 2 146 ? 28.237 -42.429 18.096 1.00 40.59 ? 142 GLY L HA3 1 ATOM 5701 N N . ALA B 2 147 ? 25.074 -42.625 18.542 1.00 33.41 ? 143 ALA L N 1 ATOM 5702 C CA . ALA B 2 147 ? 23.831 -43.138 17.976 1.00 29.84 ? 143 ALA L CA 1 ATOM 5703 C C . ALA B 2 147 ? 22.691 -42.168 18.254 1.00 30.46 ? 143 ALA L C 1 ATOM 5704 O O . ALA B 2 147 ? 22.451 -41.789 19.400 1.00 35.20 ? 143 ALA L O 1 ATOM 5705 C CB . ALA B 2 147 ? 23.511 -44.511 18.548 1.00 30.76 ? 143 ALA L CB 1 ATOM 5706 H H . ALA B 2 147 ? 24.964 -42.138 19.242 1.00 40.10 ? 143 ALA L H 1 ATOM 5707 H HA . ALA B 2 147 ? 23.930 -43.225 17.005 1.00 35.80 ? 143 ALA L HA 1 ATOM 5708 H HB1 . ALA B 2 147 ? 22.691 -44.827 18.161 1.00 36.91 ? 143 ALA L HB1 1 ATOM 5709 H HB2 . ALA B 2 147 ? 24.228 -45.113 18.333 1.00 36.91 ? 143 ALA L HB2 1 ATOM 5710 H HB3 . ALA B 2 147 ? 23.418 -44.439 19.500 1.00 36.91 ? 143 ALA L HB3 1 ATOM 5711 N N . VAL B 2 148 ? 21.996 -41.764 17.195 1.00 30.46 ? 144 VAL L N 1 ATOM 5712 C CA . VAL B 2 148 ? 20.893 -40.821 17.312 1.00 32.85 ? 144 VAL L CA 1 ATOM 5713 C C . VAL B 2 148 ? 19.794 -41.139 16.311 1.00 34.77 ? 144 VAL L C 1 ATOM 5714 O O . VAL B 2 148 ? 20.020 -41.848 15.330 1.00 40.99 ? 144 VAL L O 1 ATOM 5715 C CB . VAL B 2 148 ? 21.362 -39.376 17.044 1.00 32.36 ? 144 VAL L CB 1 ATOM 5716 C CG1 . VAL B 2 148 ? 22.356 -38.927 18.103 1.00 29.70 ? 144 VAL L CG1 1 ATOM 5717 C CG2 . VAL B 2 148 ? 21.972 -39.269 15.655 1.00 31.84 ? 144 VAL L CG2 1 ATOM 5718 H H . VAL B 2 148 ? 22.147 -42.026 16.390 1.00 36.55 ? 144 VAL L H 1 ATOM 5719 H HA . VAL B 2 148 ? 20.517 -40.865 18.216 1.00 39.42 ? 144 VAL L HA 1 ATOM 5720 H HB . VAL B 2 148 ? 20.587 -38.777 17.082 1.00 38.83 ? 144 VAL L HB 1 ATOM 5721 H HG11 . VAL B 2 148 ? 22.630 -38.027 17.911 1.00 35.64 ? 144 VAL L HG11 1 ATOM 5722 H HG12 . VAL B 2 148 ? 21.933 -38.965 18.964 1.00 35.64 ? 144 VAL L HG12 1 ATOM 5723 H HG13 . VAL B 2 148 ? 23.116 -39.512 18.085 1.00 35.64 ? 144 VAL L HG13 1 ATOM 5724 H HG21 . VAL B 2 148 ? 22.257 -38.364 15.509 1.00 38.20 ? 144 VAL L HG21 1 ATOM 5725 H HG22 . VAL B 2 148 ? 22.725 -39.862 15.598 1.00 38.20 ? 144 VAL L HG22 1 ATOM 5726 H HG23 . VAL B 2 148 ? 21.311 -39.514 15.004 1.00 38.20 ? 144 VAL L HG23 1 ATOM 5727 N N . THR B 2 149 ? 18.603 -40.612 16.571 1.00 30.94 ? 145 THR L N 1 ATOM 5728 C CA . THR B 2 149 ? 17.519 -40.629 15.596 1.00 33.06 ? 145 THR L CA 1 ATOM 5729 C C . THR B 2 149 ? 17.015 -39.204 15.403 1.00 33.79 ? 145 THR L C 1 ATOM 5730 O O . THR B 2 149 ? 16.949 -38.427 16.356 1.00 35.68 ? 145 THR L O 1 ATOM 5731 C CB . THR B 2 149 ? 16.358 -41.541 16.037 1.00 35.91 ? 145 THR L CB 1 ATOM 5732 O OG1 . THR B 2 149 ? 15.947 -41.197 17.366 1.00 42.27 ? 145 THR L OG1 1 ATOM 5733 C CG2 . THR B 2 149 ? 16.787 -43.000 16.001 1.00 30.33 ? 145 THR L CG2 1 ATOM 5734 H H . THR B 2 149 ? 18.395 -40.232 17.314 1.00 37.12 ? 145 THR L H 1 ATOM 5735 H HA . THR B 2 149 ? 17.859 -40.956 14.737 1.00 39.67 ? 145 THR L HA 1 ATOM 5736 H HB . THR B 2 149 ? 15.611 -41.427 15.429 1.00 43.10 ? 145 THR L HB 1 ATOM 5737 H HG1 . THR B 2 149 ? 15.329 -41.681 17.602 1.00 50.72 ? 145 THR L HG1 1 ATOM 5738 H HG21 . THR B 2 149 ? 16.059 -43.562 16.277 1.00 36.40 ? 145 THR L HG21 1 ATOM 5739 H HG22 . THR B 2 149 ? 17.049 -43.243 15.111 1.00 36.40 ? 145 THR L HG22 1 ATOM 5740 H HG23 . THR B 2 149 ? 17.529 -43.138 16.594 1.00 36.40 ? 145 THR L HG23 1 ATOM 5741 N N . VAL B 2 150 ? 16.670 -38.863 14.166 1.00 32.35 ? 146 VAL L N 1 ATOM 5742 C CA . VAL B 2 150 ? 16.283 -37.498 13.830 1.00 31.98 ? 146 VAL L CA 1 ATOM 5743 C C . VAL B 2 150 ? 14.859 -37.439 13.286 1.00 37.44 ? 146 VAL L C 1 ATOM 5744 O O . VAL B 2 150 ? 14.400 -38.364 12.616 1.00 40.60 ? 146 VAL L O 1 ATOM 5745 C CB . VAL B 2 150 ? 17.248 -36.899 12.793 1.00 32.10 ? 146 VAL L CB 1 ATOM 5746 C CG1 . VAL B 2 150 ? 16.833 -35.483 12.429 1.00 32.77 ? 146 VAL L CG1 1 ATOM 5747 C CG2 . VAL B 2 150 ? 18.672 -36.917 13.330 1.00 30.10 ? 146 VAL L CG2 1 ATOM 5748 H H . VAL B 2 150 ? 16.653 -39.406 13.500 1.00 38.82 ? 146 VAL L H 1 ATOM 5749 H HA . VAL B 2 150 ? 16.323 -36.945 14.639 1.00 38.38 ? 146 VAL L HA 1 ATOM 5750 H HB . VAL B 2 150 ? 17.222 -37.443 11.979 1.00 38.52 ? 146 VAL L HB 1 ATOM 5751 H HG11 . VAL B 2 150 ? 17.450 -35.133 11.782 1.00 39.33 ? 146 VAL L HG11 1 ATOM 5752 H HG12 . VAL B 2 150 ? 15.947 -35.503 12.060 1.00 39.33 ? 146 VAL L HG12 1 ATOM 5753 H HG13 . VAL B 2 150 ? 16.846 -34.940 13.221 1.00 39.33 ? 146 VAL L HG13 1 ATOM 5754 H HG21 . VAL B 2 150 ? 19.259 -36.540 12.670 1.00 36.12 ? 146 VAL L HG21 1 ATOM 5755 H HG22 . VAL B 2 150 ? 18.709 -36.398 14.136 1.00 36.12 ? 146 VAL L HG22 1 ATOM 5756 H HG23 . VAL B 2 150 ? 18.925 -37.825 13.513 1.00 36.12 ? 146 VAL L HG23 1 ATOM 5757 N N . ALA B 2 151 ? 14.166 -36.344 13.581 1.00 40.70 ? 147 ALA L N 1 ATOM 5758 C CA . ALA B 2 151 ? 12.791 -36.159 13.130 1.00 42.65 ? 147 ALA L CA 1 ATOM 5759 C C . ALA B 2 151 ? 12.503 -34.684 12.866 1.00 43.70 ? 147 ALA L C 1 ATOM 5760 O O . ALA B 2 151 ? 12.775 -33.829 13.706 1.00 45.68 ? 147 ALA L O 1 ATOM 5761 C CB . ALA B 2 151 ? 11.822 -36.706 14.163 1.00 40.72 ? 147 ALA L CB 1 ATOM 5762 H H . ALA B 2 151 ? 14.472 -35.688 14.045 1.00 48.84 ? 147 ALA L H 1 ATOM 5763 H HA . ALA B 2 151 ? 12.657 -36.652 12.294 1.00 51.18 ? 147 ALA L HA 1 ATOM 5764 H HB1 . ALA B 2 151 ? 10.924 -36.575 13.849 1.00 48.86 ? 147 ALA L HB1 1 ATOM 5765 H HB2 . ALA B 2 151 ? 11.993 -37.642 14.286 1.00 48.86 ? 147 ALA L HB2 1 ATOM 5766 H HB3 . ALA B 2 151 ? 11.951 -36.237 14.991 1.00 48.86 ? 147 ALA L HB3 1 ATOM 5767 N N . TRP B 2 152 ? 11.944 -34.397 11.695 1.00 40.82 ? 148 TRP L N 1 ATOM 5768 C CA . TRP B 2 152 ? 11.665 -33.026 11.292 1.00 38.82 ? 148 TRP L CA 1 ATOM 5769 C C . TRP B 2 152 ? 10.193 -32.686 11.464 1.00 43.97 ? 148 TRP L C 1 ATOM 5770 O O . TRP B 2 152 ? 9.329 -33.557 11.369 1.00 42.74 ? 148 TRP L O 1 ATOM 5771 C CB . TRP B 2 152 ? 12.062 -32.817 9.832 1.00 38.17 ? 148 TRP L CB 1 ATOM 5772 C CG . TRP B 2 152 ? 13.529 -32.929 9.590 1.00 38.14 ? 148 TRP L CG 1 ATOM 5773 C CD1 . TRP B 2 152 ? 14.248 -34.078 9.435 1.00 37.43 ? 148 TRP L CD1 1 ATOM 5774 C CD2 . TRP B 2 152 ? 14.462 -31.850 9.468 1.00 38.19 ? 148 TRP L CD2 1 ATOM 5775 N NE1 . TRP B 2 152 ? 15.573 -33.781 9.226 1.00 35.00 ? 148 TRP L NE1 1 ATOM 5776 C CE2 . TRP B 2 152 ? 15.731 -32.420 9.242 1.00 34.90 ? 148 TRP L CE2 1 ATOM 5777 C CE3 . TRP B 2 152 ? 14.349 -30.458 9.529 1.00 41.90 ? 148 TRP L CE3 1 ATOM 5778 C CZ2 . TRP B 2 152 ? 16.878 -31.647 9.076 1.00 34.69 ? 148 TRP L CZ2 1 ATOM 5779 C CZ3 . TRP B 2 152 ? 15.489 -29.691 9.365 1.00 41.99 ? 148 TRP L CZ3 1 ATOM 5780 C CH2 . TRP B 2 152 ? 16.736 -30.287 9.141 1.00 38.68 ? 148 TRP L CH2 1 ATOM 5781 H H . TRP B 2 152 ? 11.715 -34.986 11.111 1.00 48.99 ? 148 TRP L H 1 ATOM 5782 H HA . TRP B 2 152 ? 12.191 -32.412 11.845 1.00 46.59 ? 148 TRP L HA 1 ATOM 5783 H HB2 . TRP B 2 152 ? 11.619 -33.486 9.288 1.00 45.81 ? 148 TRP L HB2 1 ATOM 5784 H HB3 . TRP B 2 152 ? 11.783 -31.930 9.556 1.00 45.81 ? 148 TRP L HB3 1 ATOM 5785 H HD1 . TRP B 2 152 ? 13.893 -34.937 9.467 1.00 44.92 ? 148 TRP L HD1 1 ATOM 5786 H HE1 . TRP B 2 152 ? 16.201 -34.356 9.105 1.00 42.00 ? 148 TRP L HE1 1 ATOM 5787 H HE3 . TRP B 2 152 ? 13.524 -30.055 9.677 1.00 50.28 ? 148 TRP L HE3 1 ATOM 5788 H HZ2 . TRP B 2 152 ? 17.708 -32.039 8.928 1.00 41.63 ? 148 TRP L HZ2 1 ATOM 5789 H HZ3 . TRP B 2 152 ? 15.425 -28.764 9.403 1.00 50.39 ? 148 TRP L HZ3 1 ATOM 5790 H HH2 . TRP B 2 152 ? 17.485 -29.747 9.034 1.00 46.41 ? 148 TRP L HH2 1 ATOM 5791 N N . LYS B 2 153 ? 9.916 -31.410 11.708 1.00 52.55 ? 149 LYS L N 1 ATOM 5792 C CA . LYS B 2 153 ? 8.546 -30.933 11.850 1.00 61.15 ? 149 LYS L CA 1 ATOM 5793 C C . LYS B 2 153 ? 8.353 -29.589 11.159 1.00 56.35 ? 149 LYS L C 1 ATOM 5794 O O . LYS B 2 153 ? 9.156 -28.672 11.327 1.00 52.65 ? 149 LYS L O 1 ATOM 5795 C CB . LYS B 2 153 ? 8.174 -30.803 13.328 1.00 74.52 ? 149 LYS L CB 1 ATOM 5796 C CG . LYS B 2 153 ? 7.549 -32.051 13.930 1.00 88.00 ? 149 LYS L CG 1 ATOM 5797 C CD . LYS B 2 153 ? 7.464 -31.956 15.446 1.00 99.73 ? 149 LYS L CD 1 ATOM 5798 C CE . LYS B 2 153 ? 6.771 -30.677 15.898 1.00 111.14 ? 149 LYS L CE 1 ATOM 5799 N NZ . LYS B 2 153 ? 6.597 -30.616 17.377 1.00 115.96 ? 149 LYS L NZ 1 ATOM 5800 H H . LYS B 2 153 ? 10.510 -30.794 11.796 1.00 63.07 ? 149 LYS L H 1 ATOM 5801 H HA . LYS B 2 153 ? 7.936 -31.580 11.437 1.00 73.38 ? 149 LYS L HA 1 ATOM 5802 H HB2 . LYS B 2 153 ? 8.977 -30.603 13.834 1.00 89.42 ? 149 LYS L HB2 1 ATOM 5803 H HB3 . LYS B 2 153 ? 7.537 -30.078 13.426 1.00 89.42 ? 149 LYS L HB3 1 ATOM 5804 H HG2 . LYS B 2 153 ? 6.651 -32.159 13.581 1.00 105.60 ? 149 LYS L HG2 1 ATOM 5805 H HG3 . LYS B 2 153 ? 8.092 -32.822 13.703 1.00 105.60 ? 149 LYS L HG3 1 ATOM 5806 H HD2 . LYS B 2 153 ? 6.957 -32.710 15.785 1.00 119.67 ? 149 LYS L HD2 1 ATOM 5807 H HD3 . LYS B 2 153 ? 8.360 -31.961 15.816 1.00 119.67 ? 149 LYS L HD3 1 ATOM 5808 H HE2 . LYS B 2 153 ? 7.305 -29.914 15.627 1.00 133.37 ? 149 LYS L HE2 1 ATOM 5809 H HE3 . LYS B 2 153 ? 5.893 -30.631 15.490 1.00 133.37 ? 149 LYS L HE3 1 ATOM 5810 H HZ1 . LYS B 2 153 ? 6.190 -29.857 17.604 1.00 139.16 ? 149 LYS L HZ1 1 ATOM 5811 H HZ2 . LYS B 2 153 ? 6.103 -31.302 17.654 1.00 139.16 ? 149 LYS L HZ2 1 ATOM 5812 H HZ3 . LYS B 2 153 ? 7.391 -30.649 17.779 1.00 139.16 ? 149 LYS L HZ3 1 ATOM 5813 N N . ALA B 2 154 ? 7.285 -29.485 10.374 1.00 57.73 ? 150 ALA L N 1 ATOM 5814 C CA . ALA B 2 154 ? 6.880 -28.217 9.784 1.00 62.48 ? 150 ALA L CA 1 ATOM 5815 C C . ALA B 2 154 ? 5.721 -27.682 10.613 1.00 69.55 ? 150 ALA L C 1 ATOM 5816 O O . ALA B 2 154 ? 4.643 -28.276 10.636 1.00 72.23 ? 150 ALA L O 1 ATOM 5817 C CB . ALA B 2 154 ? 6.466 -28.408 8.333 1.00 65.40 ? 150 ALA L CB 1 ATOM 5818 H H . ALA B 2 154 ? 6.773 -30.144 10.167 1.00 69.28 ? 150 ALA L H 1 ATOM 5819 H HA . ALA B 2 154 ? 7.622 -27.578 9.822 1.00 74.98 ? 150 ALA L HA 1 ATOM 5820 H HB1 . ALA B 2 154 ? 6.204 -27.559 7.969 1.00 78.48 ? 150 ALA L HB1 1 ATOM 5821 H HB2 . ALA B 2 154 ? 7.210 -28.761 7.840 1.00 78.48 ? 150 ALA L HB2 1 ATOM 5822 H HB3 . ALA B 2 154 ? 5.728 -29.022 8.298 1.00 78.48 ? 150 ALA L HB3 1 ATOM 5823 N N . ASP B 2 155 ? 5.948 -26.563 11.296 1.00 74.68 ? 151 ASP L N 1 ATOM 5824 C CA . ASP B 2 155 ? 5.021 -26.085 12.316 1.00 83.23 ? 151 ASP L CA 1 ATOM 5825 C C . ASP B 2 155 ? 4.904 -27.154 13.402 1.00 81.39 ? 151 ASP L C 1 ATOM 5826 O O . ASP B 2 155 ? 5.895 -27.490 14.053 1.00 74.99 ? 151 ASP L O 1 ATOM 5827 C CB . ASP B 2 155 ? 3.653 -25.751 11.712 1.00 93.73 ? 151 ASP L CB 1 ATOM 5828 C CG . ASP B 2 155 ? 3.718 -24.605 10.720 1.00 100.76 ? 151 ASP L CG 1 ATOM 5829 O OD1 . ASP B 2 155 ? 4.638 -23.769 10.835 1.00 103.30 ? 151 ASP L OD1 1 ATOM 5830 O OD2 . ASP B 2 155 ? 2.846 -24.536 9.827 1.00 103.73 ? 151 ASP L OD2 1 ATOM 5831 H H . ASP B 2 155 ? 6.636 -26.060 11.187 1.00 89.62 ? 151 ASP L H 1 ATOM 5832 H HA . ASP B 2 155 ? 5.382 -25.271 12.725 1.00 99.88 ? 151 ASP L HA 1 ATOM 5833 H HB2 . ASP B 2 155 ? 3.313 -26.532 11.248 1.00 112.47 ? 151 ASP L HB2 1 ATOM 5834 H HB3 . ASP B 2 155 ? 3.045 -25.497 12.425 1.00 112.47 ? 151 ASP L HB3 1 ATOM 5835 N N . SER B 2 156 ? 3.706 -27.696 13.595 1.00 86.17 ? 152 SER L N 1 ATOM 5836 C CA . SER B 2 156 ? 3.499 -28.745 14.585 1.00 83.94 ? 152 SER L CA 1 ATOM 5837 C C . SER B 2 156 ? 3.528 -30.129 13.942 1.00 77.85 ? 152 SER L C 1 ATOM 5838 O O . SER B 2 156 ? 3.704 -31.136 14.627 1.00 76.64 ? 152 SER L O 1 ATOM 5839 C CB . SER B 2 156 ? 2.159 -28.543 15.290 1.00 89.26 ? 152 SER L CB 1 ATOM 5840 O OG . SER B 2 156 ? 1.092 -28.638 14.364 1.00 92.96 ? 152 SER L OG 1 ATOM 5841 H H . SER B 2 156 ? 2.996 -27.473 13.164 1.00 103.41 ? 152 SER L H 1 ATOM 5842 H HA . SER B 2 156 ? 4.211 -28.702 15.258 1.00 100.73 ? 152 SER L HA 1 ATOM 5843 H HB2 . SER B 2 156 ? 2.052 -29.228 15.968 1.00 107.12 ? 152 SER L HB2 1 ATOM 5844 H HB3 . SER B 2 156 ? 2.146 -27.664 15.699 1.00 107.12 ? 152 SER L HB3 1 ATOM 5845 H HG . SER B 2 156 ? 0.376 -28.528 14.749 1.00 111.55 ? 152 SER L HG 1 ATOM 5846 N N . SER B 2 157 ? 3.354 -30.173 12.625 1.00 73.32 ? 153 SER L N 1 ATOM 5847 C CA . SER B 2 157 ? 3.238 -31.438 11.910 1.00 70.05 ? 153 SER L CA 1 ATOM 5848 C C . SER B 2 157 ? 4.597 -32.069 11.628 1.00 63.75 ? 153 SER L C 1 ATOM 5849 O O . SER B 2 157 ? 5.558 -31.366 11.319 1.00 62.55 ? 153 SER L O 1 ATOM 5850 C CB . SER B 2 157 ? 2.501 -31.223 10.589 1.00 75.73 ? 153 SER L CB 1 ATOM 5851 O OG . SER B 2 157 ? 1.254 -30.586 10.798 1.00 84.11 ? 153 SER L OG 1 ATOM 5852 H H . SER B 2 157 ? 3.301 -29.479 12.120 1.00 87.98 ? 153 SER L H 1 ATOM 5853 H HA . SER B 2 157 ? 2.717 -32.066 12.452 1.00 84.06 ? 153 SER L HA 1 ATOM 5854 H HB2 . SER B 2 157 ? 3.046 -30.666 10.011 1.00 90.88 ? 153 SER L HB2 1 ATOM 5855 H HB3 . SER B 2 157 ? 2.349 -32.085 10.170 1.00 90.88 ? 153 SER L HB3 1 ATOM 5856 H HG . SER B 2 157 ? 0.870 -30.478 10.081 1.00 100.93 ? 153 SER L HG 1 ATOM 5857 N N . PRO B 2 158 ? 4.680 -33.407 11.736 1.00 60.37 ? 154 PRO L N 1 ATOM 5858 C CA . PRO B 2 158 ? 5.887 -34.152 11.358 1.00 55.24 ? 154 PRO L CA 1 ATOM 5859 C C . PRO B 2 158 ? 6.093 -34.161 9.846 1.00 55.49 ? 154 PRO L C 1 ATOM 5860 O O . PRO B 2 158 ? 5.127 -34.010 9.097 1.00 55.40 ? 154 PRO L O 1 ATOM 5861 C CB . PRO B 2 158 ? 5.599 -35.568 11.866 1.00 52.97 ? 154 PRO L CB 1 ATOM 5862 C CG . PRO B 2 158 ? 4.117 -35.661 11.911 1.00 55.95 ? 154 PRO L CG 1 ATOM 5863 C CD . PRO B 2 158 ? 3.636 -34.292 12.280 1.00 60.05 ? 154 PRO L CD 1 ATOM 5864 H HA . PRO B 2 158 ? 6.680 -33.789 11.805 1.00 66.28 ? 154 PRO L HA 1 ATOM 5865 H HB2 . PRO B 2 158 ? 5.967 -36.219 11.248 1.00 63.57 ? 154 PRO L HB2 1 ATOM 5866 H HB3 . PRO B 2 158 ? 5.978 -35.682 12.752 1.00 63.57 ? 154 PRO L HB3 1 ATOM 5867 H HG2 . PRO B 2 158 ? 3.781 -35.917 11.038 1.00 67.14 ? 154 PRO L HG2 1 ATOM 5868 H HG3 . PRO B 2 158 ? 3.852 -36.309 12.583 1.00 67.14 ? 154 PRO L HG3 1 ATOM 5869 H HD2 . PRO B 2 158 ? 2.782 -34.108 11.857 1.00 72.06 ? 154 PRO L HD2 1 ATOM 5870 H HD3 . PRO B 2 158 ? 3.583 -34.201 13.244 1.00 72.06 ? 154 PRO L HD3 1 ATOM 5871 N N . VAL B 2 159 ? 7.335 -34.337 9.407 1.00 56.23 ? 155 VAL L N 1 ATOM 5872 C CA . VAL B 2 159 ? 7.653 -34.313 7.984 1.00 62.89 ? 155 VAL L CA 1 ATOM 5873 C C . VAL B 2 159 ? 8.510 -35.514 7.599 1.00 63.93 ? 155 VAL L C 1 ATOM 5874 O O . VAL B 2 159 ? 9.614 -35.692 8.111 1.00 59.26 ? 155 VAL L O 1 ATOM 5875 C CB . VAL B 2 159 ? 8.382 -33.010 7.602 1.00 64.61 ? 155 VAL L CB 1 ATOM 5876 C CG1 . VAL B 2 159 ? 8.866 -33.063 6.161 1.00 68.27 ? 155 VAL L CG1 1 ATOM 5877 C CG2 . VAL B 2 159 ? 7.464 -31.819 7.815 1.00 65.34 ? 155 VAL L CG2 1 ATOM 5878 H H . VAL B 2 159 ? 8.015 -34.472 9.916 1.00 67.48 ? 155 VAL L H 1 ATOM 5879 H HA . VAL B 2 159 ? 6.820 -34.356 7.469 1.00 75.47 ? 155 VAL L HA 1 ATOM 5880 H HB . VAL B 2 159 ? 9.164 -32.899 8.182 1.00 77.53 ? 155 VAL L HB 1 ATOM 5881 H HG11 . VAL B 2 159 ? 9.315 -32.241 5.952 1.00 81.92 ? 155 VAL L HG11 1 ATOM 5882 H HG12 . VAL B 2 159 ? 9.471 -33.802 6.063 1.00 81.92 ? 155 VAL L HG12 1 ATOM 5883 H HG13 . VAL B 2 159 ? 8.109 -33.180 5.582 1.00 81.92 ? 155 VAL L HG13 1 ATOM 5884 H HG21 . VAL B 2 159 ? 7.933 -31.017 7.573 1.00 78.41 ? 155 VAL L HG21 1 ATOM 5885 H HG22 . VAL B 2 159 ? 6.686 -31.922 7.263 1.00 78.41 ? 155 VAL L HG22 1 ATOM 5886 H HG23 . VAL B 2 159 ? 7.209 -31.783 8.740 1.00 78.41 ? 155 VAL L HG23 1 ATOM 5887 N N . LYS B 2 160 ? 7.991 -36.333 6.689 1.00 70.10 ? 156 LYS L N 1 ATOM 5888 C CA . LYS B 2 160 ? 8.662 -37.561 6.280 1.00 73.31 ? 156 LYS L CA 1 ATOM 5889 C C . LYS B 2 160 ? 9.505 -37.364 5.023 1.00 69.78 ? 156 LYS L C 1 ATOM 5890 O O . LYS B 2 160 ? 10.679 -37.730 4.988 1.00 69.75 ? 156 LYS L O 1 ATOM 5891 C CB . LYS B 2 160 ? 7.627 -38.660 6.022 1.00 84.86 ? 156 LYS L CB 1 ATOM 5892 C CG . LYS B 2 160 ? 7.770 -39.881 6.914 1.00 92.04 ? 156 LYS L CG 1 ATOM 5893 C CD . LYS B 2 160 ? 7.451 -39.559 8.363 1.00 95.97 ? 156 LYS L CD 1 ATOM 5894 C CE . LYS B 2 160 ? 7.433 -40.819 9.213 1.00 95.32 ? 156 LYS L CE 1 ATOM 5895 N NZ . LYS B 2 160 ? 7.037 -40.545 10.622 1.00 93.39 ? 156 LYS L NZ 1 ATOM 5896 H H . LYS B 2 160 ? 7.241 -36.197 6.290 1.00 84.12 ? 156 LYS L H 1 ATOM 5897 H HA . LYS B 2 160 ? 9.253 -37.861 7.001 1.00 87.97 ? 156 LYS L HA 1 ATOM 5898 H HB2 . LYS B 2 160 ? 6.741 -38.292 6.167 1.00 101.83 ? 156 LYS L HB2 1 ATOM 5899 H HB3 . LYS B 2 160 ? 7.711 -38.955 5.102 1.00 101.83 ? 156 LYS L HB3 1 ATOM 5900 H HG2 . LYS B 2 160 ? 7.156 -40.569 6.614 1.00 110.45 ? 156 LYS L HG2 1 ATOM 5901 H HG3 . LYS B 2 160 ? 8.684 -40.204 6.869 1.00 110.45 ? 156 LYS L HG3 1 ATOM 5902 H HD2 . LYS B 2 160 ? 8.130 -38.962 8.716 1.00 115.16 ? 156 LYS L HD2 1 ATOM 5903 H HD3 . LYS B 2 160 ? 6.577 -39.143 8.415 1.00 115.16 ? 156 LYS L HD3 1 ATOM 5904 H HE2 . LYS B 2 160 ? 6.796 -41.446 8.837 1.00 114.38 ? 156 LYS L HE2 1 ATOM 5905 H HE3 . LYS B 2 160 ? 8.321 -41.210 9.220 1.00 114.38 ? 156 LYS L HE3 1 ATOM 5906 H HZ1 . LYS B 2 160 ? 7.037 -41.302 11.090 1.00 112.06 ? 156 LYS L HZ1 1 ATOM 5907 H HZ2 . LYS B 2 160 ? 7.611 -39.976 10.994 1.00 112.06 ? 156 LYS L HZ2 1 ATOM 5908 H HZ3 . LYS B 2 160 ? 6.221 -40.191 10.645 1.00 112.06 ? 156 LYS L HZ3 1 ATOM 5909 N N . ALA B 2 161 ? 8.898 -36.783 3.993 1.00 66.59 ? 157 ALA L N 1 ATOM 5910 C CA . ALA B 2 161 ? 9.537 -36.669 2.685 1.00 61.28 ? 157 ALA L CA 1 ATOM 5911 C C . ALA B 2 161 ? 10.682 -35.661 2.679 1.00 62.43 ? 157 ALA L C 1 ATOM 5912 O O . ALA B 2 161 ? 10.780 -34.807 3.559 1.00 64.82 ? 157 ALA L O 1 ATOM 5913 C CB . ALA B 2 161 ? 8.505 -36.289 1.632 1.00 59.18 ? 157 ALA L CB 1 ATOM 5914 H H . ALA B 2 161 ? 8.108 -36.445 4.025 1.00 79.90 ? 157 ALA L H 1 ATOM 5915 H HA . ALA B 2 161 ? 9.907 -37.542 2.439 1.00 73.53 ? 157 ALA L HA 1 ATOM 5916 H HB1 . ALA B 2 161 ? 8.941 -36.218 0.780 1.00 71.02 ? 157 ALA L HB1 1 ATOM 5917 H HB2 . ALA B 2 161 ? 7.829 -36.969 1.599 1.00 71.02 ? 157 ALA L HB2 1 ATOM 5918 H HB3 . ALA B 2 161 ? 8.112 -35.447 1.871 1.00 71.02 ? 157 ALA L HB3 1 ATOM 5919 N N . GLY B 2 162 ? 11.546 -35.776 1.674 1.00 60.55 ? 158 GLY L N 1 ATOM 5920 C CA . GLY B 2 162 ? 12.626 -34.827 1.467 1.00 56.58 ? 158 GLY L CA 1 ATOM 5921 C C . GLY B 2 162 ? 13.695 -34.849 2.544 1.00 50.12 ? 158 GLY L C 1 ATOM 5922 O O . GLY B 2 162 ? 14.509 -33.929 2.633 1.00 47.43 ? 158 GLY L O 1 ATOM 5923 H H . GLY B 2 162 ? 11.525 -36.407 1.091 1.00 72.66 ? 158 GLY L H 1 ATOM 5924 H HA2 . GLY B 2 162 ? 13.053 -35.014 0.616 1.00 67.90 ? 158 GLY L HA2 1 ATOM 5925 H HA3 . GLY B 2 162 ? 12.257 -33.931 1.428 1.00 67.90 ? 158 GLY L HA3 1 ATOM 5926 N N . VAL B 2 163 ? 13.704 -35.902 3.358 1.00 46.60 ? 159 VAL L N 1 ATOM 5927 C CA . VAL B 2 163 ? 14.670 -36.015 4.448 1.00 46.19 ? 159 VAL L CA 1 ATOM 5928 C C . VAL B 2 163 ? 15.810 -36.962 4.093 1.00 48.33 ? 159 VAL L C 1 ATOM 5929 O O . VAL B 2 163 ? 15.603 -37.984 3.440 1.00 55.56 ? 159 VAL L O 1 ATOM 5930 C CB . VAL B 2 163 ? 14.004 -36.518 5.743 1.00 50.97 ? 159 VAL L CB 1 ATOM 5931 C CG1 . VAL B 2 163 ? 15.045 -36.704 6.843 1.00 48.94 ? 159 VAL L CG1 1 ATOM 5932 C CG2 . VAL B 2 163 ? 12.919 -35.555 6.190 1.00 55.68 ? 159 VAL L CG2 1 ATOM 5933 H H . VAL B 2 163 ? 13.161 -36.565 3.300 1.00 55.92 ? 159 VAL L H 1 ATOM 5934 H HA . VAL B 2 163 ? 15.053 -35.131 4.627 1.00 55.43 ? 159 VAL L HA 1 ATOM 5935 H HB . VAL B 2 163 ? 13.585 -37.388 5.570 1.00 61.16 ? 159 VAL L HB 1 ATOM 5936 H HG11 . VAL B 2 163 ? 14.607 -37.018 7.638 1.00 58.73 ? 159 VAL L HG11 1 ATOM 5937 H HG12 . VAL B 2 163 ? 15.696 -37.347 6.552 1.00 58.73 ? 159 VAL L HG12 1 ATOM 5938 H HG13 . VAL B 2 163 ? 15.472 -35.861 7.014 1.00 58.73 ? 159 VAL L HG13 1 ATOM 5939 H HG21 . VAL B 2 163 ? 12.519 -35.888 6.996 1.00 66.82 ? 159 VAL L HG21 1 ATOM 5940 H HG22 . VAL B 2 163 ? 13.313 -34.694 6.350 1.00 66.82 ? 159 VAL L HG22 1 ATOM 5941 H HG23 . VAL B 2 163 ? 12.257 -35.488 5.498 1.00 66.82 ? 159 VAL L HG23 1 ATOM 5942 N N . GLU B 2 164 ? 17.013 -36.614 4.537 1.00 45.11 ? 160 GLU L N 1 ATOM 5943 C CA . GLU B 2 164 ? 18.192 -37.444 4.321 1.00 45.74 ? 160 GLU L CA 1 ATOM 5944 C C . GLU B 2 164 ? 19.178 -37.232 5.465 1.00 44.68 ? 160 GLU L C 1 ATOM 5945 O O . GLU B 2 164 ? 19.569 -36.102 5.750 1.00 43.79 ? 160 GLU L O 1 ATOM 5946 C CB . GLU B 2 164 ? 18.860 -37.092 2.991 1.00 52.79 ? 160 GLU L CB 1 ATOM 5947 C CG . GLU B 2 164 ? 18.001 -37.341 1.761 1.00 66.63 ? 160 GLU L CG 1 ATOM 5948 C CD . GLU B 2 164 ? 17.778 -38.817 1.499 1.00 80.31 ? 160 GLU L CD 1 ATOM 5949 O OE1 . GLU B 2 164 ? 18.524 -39.637 2.073 1.00 82.02 ? 160 GLU L OE1 1 ATOM 5950 O OE2 . GLU B 2 164 ? 16.862 -39.159 0.721 1.00 89.11 ? 160 GLU L OE2 1 ATOM 5951 H H . GLU B 2 164 ? 17.174 -35.891 4.973 1.00 54.13 ? 160 GLU L H 1 ATOM 5952 H HA . GLU B 2 164 ? 17.932 -38.388 4.301 1.00 54.89 ? 160 GLU L HA 1 ATOM 5953 H HB2 . GLU B 2 164 ? 19.091 -36.150 3.001 1.00 63.34 ? 160 GLU L HB2 1 ATOM 5954 H HB3 . GLU B 2 164 ? 19.665 -37.624 2.899 1.00 63.34 ? 160 GLU L HB3 1 ATOM 5955 H HG2 . GLU B 2 164 ? 17.134 -36.925 1.889 1.00 79.96 ? 160 GLU L HG2 1 ATOM 5956 H HG3 . GLU B 2 164 ? 18.441 -36.961 0.985 1.00 79.96 ? 160 GLU L HG3 1 ATOM 5957 N N . THR B 2 165 ? 19.582 -38.319 6.114 1.00 44.40 ? 161 THR L N 1 ATOM 5958 C CA . THR B 2 165 ? 20.433 -38.227 7.296 1.00 43.53 ? 161 THR L CA 1 ATOM 5959 C C . THR B 2 165 ? 21.676 -39.103 7.162 1.00 41.28 ? 161 THR L C 1 ATOM 5960 O O . THR B 2 165 ? 21.615 -40.200 6.608 1.00 45.07 ? 161 THR L O 1 ATOM 5961 C CB . THR B 2 165 ? 19.660 -38.646 8.562 1.00 45.81 ? 161 THR L CB 1 ATOM 5962 O OG1 . THR B 2 165 ? 18.401 -37.962 8.606 1.00 48.39 ? 161 THR L OG1 1 ATOM 5963 C CG2 . THR B 2 165 ? 20.459 -38.320 9.814 1.00 43.16 ? 161 THR L CG2 1 ATOM 5964 H H . THR B 2 165 ? 19.377 -39.123 5.890 1.00 53.28 ? 161 THR L H 1 ATOM 5965 H HA . THR B 2 165 ? 20.725 -37.299 7.410 1.00 52.24 ? 161 THR L HA 1 ATOM 5966 H HB . THR B 2 165 ? 19.504 -39.603 8.540 1.00 54.97 ? 161 THR L HB 1 ATOM 5967 H HG1 . THR B 2 165 ? 17.986 -38.181 9.278 1.00 58.07 ? 161 THR L HG1 1 ATOM 5968 H HG21 . THR B 2 165 ? 19.968 -38.585 10.595 1.00 51.79 ? 161 THR L HG21 1 ATOM 5969 H HG22 . THR B 2 165 ? 21.298 -38.788 9.799 1.00 51.79 ? 161 THR L HG22 1 ATOM 5970 H HG23 . THR B 2 165 ? 20.629 -37.376 9.858 1.00 51.79 ? 161 THR L HG23 1 ATOM 5971 N N . THR B 2 166 ? 22.803 -38.612 7.671 1.00 34.97 ? 162 THR L N 1 ATOM 5972 C CA . THR B 2 166 ? 24.055 -39.360 7.622 1.00 32.49 ? 162 THR L CA 1 ATOM 5973 C C . THR B 2 166 ? 24.216 -40.245 8.852 1.00 36.18 ? 162 THR L C 1 ATOM 5974 O O . THR B 2 166 ? 23.586 -40.014 9.884 1.00 35.51 ? 162 THR L O 1 ATOM 5975 C CB . THR B 2 166 ? 25.280 -38.424 7.544 1.00 30.14 ? 162 THR L CB 1 ATOM 5976 O OG1 . THR B 2 166 ? 25.329 -37.587 8.705 1.00 31.63 ? 162 THR L OG1 1 ATOM 5977 C CG2 . THR B 2 166 ? 25.218 -37.556 6.301 1.00 27.09 ? 162 THR L CG2 1 ATOM 5978 H H . THR B 2 166 ? 22.868 -37.844 8.053 1.00 41.96 ? 162 THR L H 1 ATOM 5979 H HA . THR B 2 166 ? 24.057 -39.934 6.828 1.00 38.99 ? 162 THR L HA 1 ATOM 5980 H HB . THR B 2 166 ? 26.089 -38.958 7.501 1.00 36.17 ? 162 THR L HB 1 ATOM 5981 H HG1 . THR B 2 166 ? 25.979 -37.089 8.665 1.00 37.96 ? 162 THR L HG1 1 ATOM 5982 H HG21 . THR B 2 166 ? 25.985 -36.980 6.265 1.00 32.51 ? 162 THR L HG21 1 ATOM 5983 H HG22 . THR B 2 166 ? 25.206 -38.108 5.516 1.00 32.51 ? 162 THR L HG22 1 ATOM 5984 H HG23 . THR B 2 166 ? 24.424 -37.017 6.316 1.00 32.51 ? 162 THR L HG23 1 ATOM 5985 N N . THR B 2 167 ? 25.064 -41.261 8.730 1.00 39.33 ? 163 THR L N 1 ATOM 5986 C CA . THR B 2 167 ? 25.401 -42.114 9.860 1.00 37.63 ? 163 THR L CA 1 ATOM 5987 C C . THR B 2 167 ? 26.433 -41.399 10.722 1.00 36.32 ? 163 THR L C 1 ATOM 5988 O O . THR B 2 167 ? 27.423 -40.883 10.204 1.00 37.73 ? 163 THR L O 1 ATOM 5989 C CB . THR B 2 167 ? 25.987 -43.459 9.393 1.00 40.06 ? 163 THR L CB 1 ATOM 5990 O OG1 . THR B 2 167 ? 25.044 -44.130 8.549 1.00 43.82 ? 163 THR L OG1 1 ATOM 5991 C CG2 . THR B 2 167 ? 26.321 -44.344 10.587 1.00 40.85 ? 163 THR L CG2 1 ATOM 5992 H H . THR B 2 167 ? 25.459 -41.477 7.998 1.00 47.19 ? 163 THR L H 1 ATOM 5993 H HA . THR B 2 167 ? 24.601 -42.286 10.399 1.00 45.15 ? 163 THR L HA 1 ATOM 5994 H HB . THR B 2 167 ? 26.804 -43.297 8.896 1.00 48.07 ? 163 THR L HB 1 ATOM 5995 H HG1 . THR B 2 167 ? 25.353 -44.847 8.298 1.00 52.58 ? 163 THR L HG1 1 ATOM 5996 H HG21 . THR B 2 167 ? 26.685 -45.179 10.284 1.00 49.02 ? 163 THR L HG21 1 ATOM 5997 H HG22 . THR B 2 167 ? 26.966 -43.908 11.149 1.00 49.02 ? 163 THR L HG22 1 ATOM 5998 H HG23 . THR B 2 167 ? 25.528 -44.517 11.099 1.00 49.02 ? 163 THR L HG23 1 ATOM 5999 N N . PRO B 2 168 ? 26.209 -41.362 12.044 1.00 35.47 ? 164 PRO L N 1 ATOM 6000 C CA . PRO B 2 168 ? 27.162 -40.674 12.921 1.00 35.01 ? 164 PRO L CA 1 ATOM 6001 C C . PRO B 2 168 ? 28.599 -41.102 12.659 1.00 34.66 ? 164 PRO L C 1 ATOM 6002 O O . PRO B 2 168 ? 28.858 -42.274 12.390 1.00 37.16 ? 164 PRO L O 1 ATOM 6003 C CB . PRO B 2 168 ? 26.715 -41.094 14.322 1.00 32.79 ? 164 PRO L CB 1 ATOM 6004 C CG . PRO B 2 168 ? 25.253 -41.352 14.177 1.00 33.21 ? 164 PRO L CG 1 ATOM 6005 C CD . PRO B 2 168 ? 25.079 -41.932 12.798 1.00 34.10 ? 164 PRO L CD 1 ATOM 6006 H HA . PRO B 2 168 ? 27.083 -39.702 12.826 1.00 42.02 ? 164 PRO L HA 1 ATOM 6007 H HB2 . PRO B 2 168 ? 27.183 -41.901 14.589 1.00 39.34 ? 164 PRO L HB2 1 ATOM 6008 H HB3 . PRO B 2 168 ? 26.879 -40.374 14.950 1.00 39.34 ? 164 PRO L HB3 1 ATOM 6009 H HG2 . PRO B 2 168 ? 24.965 -41.985 14.853 1.00 39.85 ? 164 PRO L HG2 1 ATOM 6010 H HG3 . PRO B 2 168 ? 24.766 -40.517 14.260 1.00 39.85 ? 164 PRO L HG3 1 ATOM 6011 H HD2 . PRO B 2 168 ? 25.145 -42.900 12.827 1.00 40.92 ? 164 PRO L HD2 1 ATOM 6012 H HD3 . PRO B 2 168 ? 24.236 -41.645 12.414 1.00 40.92 ? 164 PRO L HD3 1 ATOM 6013 N N . SER B 2 169 ? 29.516 -40.143 12.725 1.00 32.42 ? 165 SER L N 1 ATOM 6014 C CA . SER B 2 169 ? 30.930 -40.396 12.470 1.00 35.33 ? 165 SER L CA 1 ATOM 6015 C C . SER B 2 169 ? 31.773 -39.650 13.495 1.00 30.61 ? 165 SER L C 1 ATOM 6016 O O . SER B 2 169 ? 31.350 -38.621 14.021 1.00 32.53 ? 165 SER L O 1 ATOM 6017 C CB . SER B 2 169 ? 31.307 -39.963 11.049 1.00 42.70 ? 165 SER L CB 1 ATOM 6018 O OG . SER B 2 169 ? 30.973 -38.604 10.806 1.00 43.38 ? 165 SER L OG 1 ATOM 6019 H H . SER B 2 169 ? 29.342 -39.324 12.920 1.00 38.90 ? 165 SER L H 1 ATOM 6020 H HA . SER B 2 169 ? 31.111 -41.355 12.560 1.00 42.40 ? 165 SER L HA 1 ATOM 6021 H HB2 . SER B 2 169 ? 32.263 -40.076 10.931 1.00 51.24 ? 165 SER L HB2 1 ATOM 6022 H HB3 . SER B 2 169 ? 30.829 -40.521 10.415 1.00 51.24 ? 165 SER L HB3 1 ATOM 6023 H HG . SER B 2 169 ? 30.630 -38.275 11.474 1.00 52.06 ? 165 SER L HG 1 ATOM 6024 N N . LYS B 2 170 ? 32.968 -40.165 13.770 1.00 30.14 ? 166 LYS L N 1 ATOM 6025 C CA . LYS B 2 170 ? 33.811 -39.606 14.823 1.00 40.08 ? 166 LYS L CA 1 ATOM 6026 C C . LYS B 2 170 ? 34.468 -38.293 14.419 1.00 41.80 ? 166 LYS L C 1 ATOM 6027 O O . LYS B 2 170 ? 34.960 -38.142 13.301 1.00 46.54 ? 166 LYS L O 1 ATOM 6028 C CB . LYS B 2 170 ? 34.879 -40.616 15.252 1.00 51.91 ? 166 LYS L CB 1 ATOM 6029 C CG . LYS B 2 170 ? 34.399 -41.587 16.319 1.00 64.11 ? 166 LYS L CG 1 ATOM 6030 C CD . LYS B 2 170 ? 35.424 -42.670 16.616 1.00 78.18 ? 166 LYS L CD 1 ATOM 6031 C CE . LYS B 2 170 ? 36.693 -42.097 17.222 1.00 89.03 ? 166 LYS L CE 1 ATOM 6032 N NZ . LYS B 2 170 ? 37.624 -43.174 17.659 1.00 95.00 ? 166 LYS L NZ 1 ATOM 6033 H H . LYS B 2 170 ? 33.314 -40.839 13.362 1.00 36.17 ? 166 LYS L H 1 ATOM 6034 H HA . LYS B 2 170 ? 33.249 -39.424 15.605 1.00 48.10 ? 166 LYS L HA 1 ATOM 6035 H HB2 . LYS B 2 170 ? 35.150 -41.134 14.477 1.00 62.29 ? 166 LYS L HB2 1 ATOM 6036 H HB3 . LYS B 2 170 ? 35.641 -40.134 15.609 1.00 62.29 ? 166 LYS L HB3 1 ATOM 6037 H HG2 . LYS B 2 170 ? 34.230 -41.099 17.140 1.00 76.93 ? 166 LYS L HG2 1 ATOM 6038 H HG3 . LYS B 2 170 ? 33.586 -42.018 16.013 1.00 76.93 ? 166 LYS L HG3 1 ATOM 6039 H HD2 . LYS B 2 170 ? 35.045 -43.302 17.248 1.00 93.81 ? 166 LYS L HD2 1 ATOM 6040 H HD3 . LYS B 2 170 ? 35.659 -43.122 15.791 1.00 93.81 ? 166 LYS L HD3 1 ATOM 6041 H HE2 . LYS B 2 170 ? 37.147 -41.554 16.559 1.00 106.84 ? 166 LYS L HE2 1 ATOM 6042 H HE3 . LYS B 2 170 ? 36.464 -41.560 17.996 1.00 106.84 ? 166 LYS L HE3 1 ATOM 6043 H HZ1 . LYS B 2 170 ? 38.360 -42.817 18.010 1.00 114.00 ? 166 LYS L HZ1 1 ATOM 6044 H HZ2 . LYS B 2 170 ? 37.230 -43.686 18.272 1.00 114.00 ? 166 LYS L HZ2 1 ATOM 6045 H HZ3 . LYS B 2 170 ? 37.852 -43.680 16.963 1.00 114.00 ? 166 LYS L HZ3 1 ATOM 6046 N N . GLN B 2 171 ? 34.460 -37.345 15.349 1.00 37.98 ? 167 GLN L N 1 ATOM 6047 C CA . GLN B 2 171 ? 35.156 -36.081 15.178 1.00 36.55 ? 167 GLN L CA 1 ATOM 6048 C C . GLN B 2 171 ? 36.615 -36.273 15.553 1.00 40.41 ? 167 GLN L C 1 ATOM 6049 O O . GLN B 2 171 ? 37.009 -37.347 16.009 1.00 43.19 ? 167 GLN L O 1 ATOM 6050 C CB . GLN B 2 171 ? 34.536 -35.011 16.079 1.00 37.00 ? 167 GLN L CB 1 ATOM 6051 C CG . GLN B 2 171 ? 33.099 -34.637 15.731 1.00 41.41 ? 167 GLN L CG 1 ATOM 6052 C CD . GLN B 2 171 ? 32.413 -33.803 16.807 1.00 46.55 ? 167 GLN L CD 1 ATOM 6053 O OE1 . GLN B 2 171 ? 31.211 -33.556 16.733 1.00 44.62 ? 167 GLN L OE1 1 ATOM 6054 N NE2 . GLN B 2 171 ? 33.171 -33.367 17.810 1.00 52.15 ? 167 GLN L NE2 1 ATOM 6055 H H . GLN B 2 171 ? 34.049 -37.414 16.102 1.00 45.58 ? 167 GLN L H 1 ATOM 6056 H HA . GLN B 2 171 ? 35.100 -35.788 14.245 1.00 43.85 ? 167 GLN L HA 1 ATOM 6057 H HB2 . GLN B 2 171 ? 34.542 -35.334 16.993 1.00 44.40 ? 167 GLN L HB2 1 ATOM 6058 H HB3 . GLN B 2 171 ? 35.073 -34.205 16.015 1.00 44.40 ? 167 GLN L HB3 1 ATOM 6059 H HG2 . GLN B 2 171 ? 33.099 -34.121 14.910 1.00 49.69 ? 167 GLN L HG2 1 ATOM 6060 H HG3 . GLN B 2 171 ? 32.584 -35.450 15.610 1.00 49.69 ? 167 GLN L HG3 1 ATOM 6061 H HE21 . GLN B 2 171 ? 34.010 -33.559 17.830 1.00 62.57 ? 167 GLN L HE21 1 ATOM 6062 H HE22 . GLN B 2 171 ? 32.823 -32.894 18.438 1.00 62.57 ? 167 GLN L HE22 1 ATOM 6063 N N . SER B 2 172 ? 37.415 -35.229 15.369 1.00 43.73 ? 168 SER L N 1 ATOM 6064 C CA . SER B 2 172 ? 38.828 -35.285 15.721 1.00 49.11 ? 168 SER L CA 1 ATOM 6065 C C . SER B 2 172 ? 39.018 -35.283 17.238 1.00 56.61 ? 168 SER L C 1 ATOM 6066 O O . SER B 2 172 ? 40.087 -35.638 17.733 1.00 59.88 ? 168 SER L O 1 ATOM 6067 C CB . SER B 2 172 ? 39.591 -34.122 15.080 1.00 50.55 ? 168 SER L CB 1 ATOM 6068 O OG . SER B 2 172 ? 38.929 -32.889 15.298 1.00 53.44 ? 168 SER L OG 1 ATOM 6069 H H . SER B 2 172 ? 37.163 -34.474 15.042 1.00 52.47 ? 168 SER L H 1 ATOM 6070 H HA . SER B 2 172 ? 39.207 -36.119 15.373 1.00 58.93 ? 168 SER L HA 1 ATOM 6071 H HB2 . SER B 2 172 ? 40.478 -34.076 15.470 1.00 60.66 ? 168 SER L HB2 1 ATOM 6072 H HB3 . SER B 2 172 ? 39.657 -34.278 14.125 1.00 60.66 ? 168 SER L HB3 1 ATOM 6073 H HG . SER B 2 172 ? 39.351 -32.279 14.949 1.00 64.13 ? 168 SER L HG 1 ATOM 6074 N N . ASN B 2 173 ? 37.978 -34.889 17.971 1.00 59.08 ? 169 ASN L N 1 ATOM 6075 C CA . ASN B 2 173 ? 38.016 -34.923 19.432 1.00 58.09 ? 169 ASN L CA 1 ATOM 6076 C C . ASN B 2 173 ? 37.357 -36.185 19.986 1.00 53.37 ? 169 ASN L C 1 ATOM 6077 O O . ASN B 2 173 ? 37.062 -36.270 21.177 1.00 55.20 ? 169 ASN L O 1 ATOM 6078 C CB . ASN B 2 173 ? 37.347 -33.680 20.024 1.00 56.64 ? 169 ASN L CB 1 ATOM 6079 C CG . ASN B 2 173 ? 35.843 -33.669 19.821 1.00 52.96 ? 169 ASN L CG 1 ATOM 6080 O OD1 . ASN B 2 173 ? 35.277 -34.582 19.219 1.00 50.91 ? 169 ASN L OD1 1 ATOM 6081 N ND2 . ASN B 2 173 ? 35.186 -32.635 20.336 1.00 51.94 ? 169 ASN L ND2 1 ATOM 6082 H H . ASN B 2 173 ? 37.238 -34.596 17.646 1.00 70.89 ? 169 ASN L H 1 ATOM 6083 H HA . ASN B 2 173 ? 38.952 -34.924 19.722 1.00 69.71 ? 169 ASN L HA 1 ATOM 6084 H HB2 . ASN B 2 173 ? 37.521 -33.652 20.978 1.00 67.96 ? 169 ASN L HB2 1 ATOM 6085 H HB3 . ASN B 2 173 ? 37.713 -32.890 19.597 1.00 67.96 ? 169 ASN L HB3 1 ATOM 6086 H HD21 . ASN B 2 173 ? 35.615 -32.020 20.756 1.00 62.33 ? 169 ASN L HD21 1 ATOM 6087 H HD22 . ASN B 2 173 ? 34.332 -32.582 20.248 1.00 62.33 ? 169 ASN L HD22 1 ATOM 6088 N N . ASN B 2 174 ? 37.110 -37.149 19.104 1.00 48.01 ? 170 ASN L N 1 ATOM 6089 C CA . ASN B 2 174 ? 36.619 -38.472 19.491 1.00 47.19 ? 170 ASN L CA 1 ATOM 6090 C C . ASN B 2 174 ? 35.157 -38.512 19.953 1.00 40.19 ? 170 ASN L C 1 ATOM 6091 O O . ASN B 2 174 ? 34.673 -39.558 20.385 1.00 38.77 ? 170 ASN L O 1 ATOM 6092 C CB . ASN B 2 174 ? 37.528 -39.109 20.553 1.00 58.05 ? 170 ASN L CB 1 ATOM 6093 C CG . ASN B 2 174 ? 38.870 -39.547 19.988 1.00 73.17 ? 170 ASN L CG 1 ATOM 6094 O OD1 . ASN B 2 174 ? 38.977 -40.614 19.385 1.00 72.26 ? 170 ASN L OD1 1 ATOM 6095 N ND2 . ASN B 2 174 ? 39.903 -38.734 20.193 1.00 86.53 ? 170 ASN L ND2 1 ATOM 6096 H H . ASN B 2 174 ? 37.221 -37.061 18.256 1.00 57.61 ? 170 ASN L H 1 ATOM 6097 H HA . ASN B 2 174 ? 36.673 -39.046 18.699 1.00 56.63 ? 170 ASN L HA 1 ATOM 6098 H HB2 . ASN B 2 174 ? 37.695 -38.462 21.256 1.00 69.66 ? 170 ASN L HB2 1 ATOM 6099 H HB3 . ASN B 2 174 ? 37.087 -39.892 20.919 1.00 69.66 ? 170 ASN L HB3 1 ATOM 6100 H HD21 . ASN B 2 174 ? 39.793 -38.000 20.627 1.00 103.84 ? 170 ASN L HD21 1 ATOM 6101 H HD22 . ASN B 2 174 ? 40.681 -38.942 19.891 1.00 103.84 ? 170 ASN L HD22 1 ATOM 6102 N N . LYS B 2 175 ? 34.453 -37.387 19.865 1.00 37.12 ? 171 LYS L N 1 ATOM 6103 C CA . LYS B 2 175 ? 33.002 -37.399 20.021 1.00 33.44 ? 171 LYS L CA 1 ATOM 6104 C C . LYS B 2 175 ? 32.389 -37.625 18.645 1.00 30.42 ? 171 LYS L C 1 ATOM 6105 O O . LYS B 2 175 ? 33.109 -37.700 17.651 1.00 29.11 ? 171 LYS L O 1 ATOM 6106 C CB . LYS B 2 175 ? 32.492 -36.092 20.628 1.00 34.53 ? 171 LYS L CB 1 ATOM 6107 C CG . LYS B 2 175 ? 32.978 -35.846 22.042 1.00 35.35 ? 171 LYS L CG 1 ATOM 6108 C CD . LYS B 2 175 ? 32.219 -34.706 22.700 1.00 39.12 ? 171 LYS L CD 1 ATOM 6109 C CE . LYS B 2 175 ? 32.689 -34.474 24.128 1.00 46.51 ? 171 LYS L CE 1 ATOM 6110 N NZ . LYS B 2 175 ? 34.132 -34.109 24.202 1.00 52.73 ? 171 LYS L NZ 1 ATOM 6111 H H . LYS B 2 175 ? 34.789 -36.609 19.717 1.00 44.55 ? 171 LYS L H 1 ATOM 6112 H HA . LYS B 2 175 ? 32.739 -38.140 20.606 1.00 40.13 ? 171 LYS L HA 1 ATOM 6113 H HB2 . LYS B 2 175 ? 32.795 -35.352 20.078 1.00 41.43 ? 171 LYS L HB2 1 ATOM 6114 H HB3 . LYS B 2 175 ? 31.523 -36.112 20.647 1.00 41.43 ? 171 LYS L HB3 1 ATOM 6115 H HG2 . LYS B 2 175 ? 32.842 -36.648 22.571 1.00 42.42 ? 171 LYS L HG2 1 ATOM 6116 H HG3 . LYS B 2 175 ? 33.920 -35.613 22.021 1.00 42.42 ? 171 LYS L HG3 1 ATOM 6117 H HD2 . LYS B 2 175 ? 32.366 -33.891 22.196 1.00 46.94 ? 171 LYS L HD2 1 ATOM 6118 H HD3 . LYS B 2 175 ? 31.274 -34.922 22.723 1.00 46.94 ? 171 LYS L HD3 1 ATOM 6119 H HE2 . LYS B 2 175 ? 32.176 -33.748 24.516 1.00 55.81 ? 171 LYS L HE2 1 ATOM 6120 H HE3 . LYS B 2 175 ? 32.557 -35.286 24.641 1.00 55.81 ? 171 LYS L HE3 1 ATOM 6121 H HZ1 . LYS B 2 175 ? 34.371 -33.981 25.049 1.00 63.28 ? 171 LYS L HZ1 1 ATOM 6122 H HZ2 . LYS B 2 175 ? 34.629 -34.763 23.857 1.00 63.28 ? 171 LYS L HZ2 1 ATOM 6123 H HZ3 . LYS B 2 175 ? 34.281 -33.361 23.743 1.00 63.28 ? 171 LYS L HZ3 1 ATOM 6124 N N . TYR B 2 176 ? 31.068 -37.732 18.578 1.00 32.12 ? 172 TYR L N 1 ATOM 6125 C CA . TYR B 2 176 ? 30.412 -38.029 17.312 1.00 33.33 ? 172 TYR L CA 1 ATOM 6126 C C . TYR B 2 176 ? 29.648 -36.835 16.764 1.00 32.78 ? 172 TYR L C 1 ATOM 6127 O O . TYR B 2 176 ? 29.115 -36.017 17.514 1.00 28.72 ? 172 TYR L O 1 ATOM 6128 C CB . TYR B 2 176 ? 29.468 -39.223 17.462 1.00 35.75 ? 172 TYR L CB 1 ATOM 6129 C CG . TYR B 2 176 ? 30.181 -40.554 17.520 1.00 41.27 ? 172 TYR L CG 1 ATOM 6130 C CD1 . TYR B 2 176 ? 30.637 -41.068 18.727 1.00 44.22 ? 172 TYR L CD1 1 ATOM 6131 C CD2 . TYR B 2 176 ? 30.402 -41.296 16.366 1.00 44.79 ? 172 TYR L CD2 1 ATOM 6132 C CE1 . TYR B 2 176 ? 31.291 -42.285 18.784 1.00 50.01 ? 172 TYR L CE1 1 ATOM 6133 C CE2 . TYR B 2 176 ? 31.053 -42.513 16.413 1.00 49.96 ? 172 TYR L CE2 1 ATOM 6134 C CZ . TYR B 2 176 ? 31.496 -43.003 17.624 1.00 54.92 ? 172 TYR L CZ 1 ATOM 6135 O OH . TYR B 2 176 ? 32.146 -44.214 17.673 1.00 63.40 ? 172 TYR L OH 1 ATOM 6136 H H . TYR B 2 176 ? 30.533 -37.637 19.244 1.00 38.54 ? 172 TYR L H 1 ATOM 6137 H HA . TYR B 2 176 ? 31.096 -38.272 16.654 1.00 40.00 ? 172 TYR L HA 1 ATOM 6138 H HB2 . TYR B 2 176 ? 28.962 -39.121 18.284 1.00 42.90 ? 172 TYR L HB2 1 ATOM 6139 H HB3 . TYR B 2 176 ? 28.864 -39.242 16.703 1.00 42.90 ? 172 TYR L HB3 1 ATOM 6140 H HD1 . TYR B 2 176 ? 30.500 -40.586 19.510 1.00 53.06 ? 172 TYR L HD1 1 ATOM 6141 H HD2 . TYR B 2 176 ? 30.104 -40.969 15.548 1.00 53.75 ? 172 TYR L HD2 1 ATOM 6142 H HE1 . TYR B 2 176 ? 31.591 -42.618 19.599 1.00 60.01 ? 172 TYR L HE1 1 ATOM 6143 H HE2 . TYR B 2 176 ? 31.193 -42.999 15.633 1.00 59.96 ? 172 TYR L HE2 1 ATOM 6144 H HH . TYR B 2 176 ? 32.824 -44.188 17.213 1.00 76.08 ? 172 TYR L HH 1 ATOM 6145 N N . ALA B 2 177 ? 29.617 -36.746 15.439 1.00 32.90 ? 173 ALA L N 1 ATOM 6146 C CA . ALA B 2 177 ? 28.814 -35.754 14.745 1.00 28.72 ? 173 ALA L CA 1 ATOM 6147 C C . ALA B 2 177 ? 27.972 -36.451 13.688 1.00 32.62 ? 173 ALA L C 1 ATOM 6148 O O . ALA B 2 177 ? 28.316 -37.538 13.224 1.00 36.70 ? 173 ALA L O 1 ATOM 6149 C CB . ALA B 2 177 ? 29.705 -34.703 14.099 1.00 26.04 ? 173 ALA L CB 1 ATOM 6150 H H . ALA B 2 177 ? 30.062 -37.260 14.912 1.00 39.48 ? 173 ALA L H 1 ATOM 6151 H HA . ALA B 2 177 ? 28.215 -35.310 15.381 1.00 34.46 ? 173 ALA L HA 1 ATOM 6152 H HB1 . ALA B 2 177 ? 29.152 -34.060 13.648 1.00 31.25 ? 173 ALA L HB1 1 ATOM 6153 H HB2 . ALA B 2 177 ? 30.221 -34.269 14.782 1.00 31.25 ? 173 ALA L HB2 1 ATOM 6154 H HB3 . ALA B 2 177 ? 30.288 -35.133 13.470 1.00 31.25 ? 173 ALA L HB3 1 ATOM 6155 N N . ALA B 2 178 ? 26.864 -35.822 13.317 1.00 32.20 ? 174 ALA L N 1 ATOM 6156 C CA . ALA B 2 178 ? 26.027 -36.311 12.232 1.00 32.13 ? 174 ALA L CA 1 ATOM 6157 C C . ALA B 2 178 ? 25.296 -35.132 11.610 1.00 34.19 ? 174 ALA L C 1 ATOM 6158 O O . ALA B 2 178 ? 25.281 -34.036 12.170 1.00 34.17 ? 174 ALA L O 1 ATOM 6159 C CB . ALA B 2 178 ? 25.041 -37.342 12.739 1.00 28.64 ? 174 ALA L CB 1 ATOM 6160 H H . ALA B 2 178 ? 26.572 -35.101 13.684 1.00 38.64 ? 174 ALA L H 1 ATOM 6161 H HA . ALA B 2 178 ? 26.590 -36.727 11.546 1.00 38.55 ? 174 ALA L HA 1 ATOM 6162 H HB1 . ALA B 2 178 ? 24.504 -37.647 12.004 1.00 34.36 ? 174 ALA L HB1 1 ATOM 6163 H HB2 . ALA B 2 178 ? 25.527 -38.079 13.118 1.00 34.36 ? 174 ALA L HB2 1 ATOM 6164 H HB3 . ALA B 2 178 ? 24.484 -36.939 13.408 1.00 34.36 ? 174 ALA L HB3 1 ATOM 6165 N N . SER B 2 179 ? 24.691 -35.360 10.451 1.00 34.81 ? 175 SER L N 1 ATOM 6166 C CA . SER B 2 179 ? 24.011 -34.294 9.731 1.00 35.86 ? 175 SER L CA 1 ATOM 6167 C C . SER B 2 179 ? 22.697 -34.787 9.138 1.00 34.33 ? 175 SER L C 1 ATOM 6168 O O . SER B 2 179 ? 22.584 -35.941 8.722 1.00 36.60 ? 175 SER L O 1 ATOM 6169 C CB . SER B 2 179 ? 24.913 -33.745 8.624 1.00 39.99 ? 175 SER L CB 1 ATOM 6170 O OG . SER B 2 179 ? 25.288 -34.767 7.717 1.00 42.89 ? 175 SER L OG 1 ATOM 6171 H H . SER B 2 179 ? 24.661 -36.125 10.059 1.00 41.77 ? 175 SER L H 1 ATOM 6172 H HA . SER B 2 179 ? 23.810 -33.563 10.353 1.00 43.03 ? 175 SER L HA 1 ATOM 6173 H HB2 . SER B 2 179 ? 24.434 -33.055 8.140 1.00 47.99 ? 175 SER L HB2 1 ATOM 6174 H HB3 . SER B 2 179 ? 25.713 -33.372 9.026 1.00 47.99 ? 175 SER L HB3 1 ATOM 6175 H HG . SER B 2 179 ? 25.771 -34.459 7.131 1.00 51.47 ? 175 SER L HG 1 ATOM 6176 N N . SER B 2 180 ? 21.705 -33.904 9.112 1.00 32.50 ? 176 SER L N 1 ATOM 6177 C CA . SER B 2 180 ? 20.412 -34.215 8.515 1.00 34.60 ? 176 SER L CA 1 ATOM 6178 C C . SER B 2 180 ? 19.980 -33.071 7.604 1.00 38.55 ? 176 SER L C 1 ATOM 6179 O O . SER B 2 180 ? 20.219 -31.902 7.904 1.00 41.53 ? 176 SER L O 1 ATOM 6180 C CB . SER B 2 180 ? 19.365 -34.454 9.605 1.00 35.22 ? 176 SER L CB 1 ATOM 6181 O OG . SER B 2 180 ? 18.130 -34.877 9.054 1.00 36.84 ? 176 SER L OG 1 ATOM 6182 H H . SER B 2 180 ? 21.756 -33.110 9.438 1.00 39.01 ? 176 SER L H 1 ATOM 6183 H HA . SER B 2 180 ? 20.489 -35.029 7.976 1.00 41.51 ? 176 SER L HA 1 ATOM 6184 H HB2 . SER B 2 180 ? 19.691 -35.140 10.208 1.00 42.27 ? 176 SER L HB2 1 ATOM 6185 H HB3 . SER B 2 180 ? 19.225 -33.626 10.092 1.00 42.27 ? 176 SER L HB3 1 ATOM 6186 H HG . SER B 2 180 ? 18.188 -34.922 8.237 1.00 44.21 ? 176 SER L HG 1 ATOM 6187 N N . TYR B 2 181 ? 19.351 -33.416 6.486 1.00 37.98 ? 177 TYR L N 1 ATOM 6188 C CA . TYR B 2 181 ? 18.921 -32.421 5.513 1.00 38.21 ? 177 TYR L CA 1 ATOM 6189 C C . TYR B 2 181 ? 17.434 -32.543 5.228 1.00 40.08 ? 177 TYR L C 1 ATOM 6190 O O . TYR B 2 181 ? 16.889 -33.645 5.191 1.00 40.74 ? 177 TYR L O 1 ATOM 6191 C CB . TYR B 2 181 ? 19.700 -32.593 4.210 1.00 39.03 ? 177 TYR L CB 1 ATOM 6192 C CG . TYR B 2 181 ? 21.193 -32.662 4.407 1.00 41.91 ? 177 TYR L CG 1 ATOM 6193 C CD1 . TYR B 2 181 ? 21.973 -31.519 4.333 1.00 43.61 ? 177 TYR L CD1 1 ATOM 6194 C CD2 . TYR B 2 181 ? 21.824 -33.871 4.673 1.00 43.02 ? 177 TYR L CD2 1 ATOM 6195 C CE1 . TYR B 2 181 ? 23.337 -31.575 4.516 1.00 44.75 ? 177 TYR L CE1 1 ATOM 6196 C CE2 . TYR B 2 181 ? 23.190 -33.937 4.857 1.00 45.38 ? 177 TYR L CE2 1 ATOM 6197 C CZ . TYR B 2 181 ? 23.943 -32.785 4.777 1.00 48.82 ? 177 TYR L CZ 1 ATOM 6198 O OH . TYR B 2 181 ? 25.305 -32.844 4.960 1.00 55.05 ? 177 TYR L OH 1 ATOM 6199 H H . TYR B 2 181 ? 19.160 -34.225 6.267 1.00 45.57 ? 177 TYR L H 1 ATOM 6200 H HA . TYR B 2 181 ? 19.097 -31.524 5.864 1.00 45.85 ? 177 TYR L HA 1 ATOM 6201 H HB2 . TYR B 2 181 ? 19.417 -33.417 3.783 1.00 46.84 ? 177 TYR L HB2 1 ATOM 6202 H HB3 . TYR B 2 181 ? 19.510 -31.839 3.630 1.00 46.84 ? 177 TYR L HB3 1 ATOM 6203 H HD1 . TYR B 2 181 ? 21.568 -30.700 4.157 1.00 52.34 ? 177 TYR L HD1 1 ATOM 6204 H HD2 . TYR B 2 181 ? 21.317 -34.649 4.728 1.00 51.62 ? 177 TYR L HD2 1 ATOM 6205 H HE1 . TYR B 2 181 ? 23.848 -30.799 4.462 1.00 53.70 ? 177 TYR L HE1 1 ATOM 6206 H HE2 . TYR B 2 181 ? 23.600 -34.752 5.034 1.00 54.45 ? 177 TYR L HE2 1 ATOM 6207 H HH . TYR B 2 181 ? 25.523 -32.376 5.597 1.00 66.06 ? 177 TYR L HH 1 ATOM 6208 N N . LEU B 2 182 ? 16.783 -31.401 5.030 1.00 42.59 ? 178 LEU L N 1 ATOM 6209 C CA . LEU B 2 182 ? 15.395 -31.374 4.593 1.00 44.34 ? 178 LEU L CA 1 ATOM 6210 C C . LEU B 2 182 ? 15.275 -30.498 3.354 1.00 46.42 ? 178 LEU L C 1 ATOM 6211 O O . LEU B 2 182 ? 15.639 -29.323 3.379 1.00 50.89 ? 178 LEU L O 1 ATOM 6212 C CB . LEU B 2 182 ? 14.483 -30.839 5.698 1.00 44.07 ? 178 LEU L CB 1 ATOM 6213 C CG . LEU B 2 182 ? 13.004 -30.743 5.313 1.00 47.02 ? 178 LEU L CG 1 ATOM 6214 C CD1 . LEU B 2 182 ? 12.433 -32.120 5.020 1.00 42.87 ? 178 LEU L CD1 1 ATOM 6215 C CD2 . LEU B 2 182 ? 12.198 -30.057 6.403 1.00 52.67 ? 178 LEU L CD2 1 ATOM 6216 H H . LEU B 2 182 ? 17.129 -30.622 5.143 1.00 51.10 ? 178 LEU L H 1 ATOM 6217 H HA . LEU B 2 182 ? 15.106 -32.281 4.362 1.00 53.21 ? 178 LEU L HA 1 ATOM 6218 H HB2 . LEU B 2 182 ? 14.549 -31.428 6.466 1.00 52.88 ? 178 LEU L HB2 1 ATOM 6219 H HB3 . LEU B 2 182 ? 14.781 -29.949 5.942 1.00 52.88 ? 178 LEU L HB3 1 ATOM 6220 H HG . LEU B 2 182 ? 12.924 -30.211 4.506 1.00 56.42 ? 178 LEU L HG 1 ATOM 6221 H HD11 . LEU B 2 182 ? 11.507 -32.030 4.782 1.00 51.44 ? 178 LEU L HD11 1 ATOM 6222 H HD12 . LEU B 2 182 ? 12.921 -32.512 4.293 1.00 51.44 ? 178 LEU L HD12 1 ATOM 6223 H HD13 . LEU B 2 182 ? 12.518 -32.666 5.805 1.00 51.44 ? 178 LEU L HD13 1 ATOM 6224 H HD21 . LEU B 2 182 ? 11.279 -30.013 6.130 1.00 63.20 ? 178 LEU L HD21 1 ATOM 6225 H HD22 . LEU B 2 182 ? 12.276 -30.564 7.214 1.00 63.20 ? 178 LEU L HD22 1 ATOM 6226 H HD23 . LEU B 2 182 ? 12.543 -29.171 6.535 1.00 63.20 ? 178 LEU L HD23 1 ATOM 6227 N N . SER B 2 183 ? 14.772 -31.078 2.270 1.00 47.04 ? 179 SER L N 1 ATOM 6228 C CA . SER B 2 183 ? 14.583 -30.342 1.026 1.00 53.40 ? 179 SER L CA 1 ATOM 6229 C C . SER B 2 183 ? 13.188 -29.741 0.961 1.00 58.89 ? 179 SER L C 1 ATOM 6230 O O . SER B 2 183 ? 12.203 -30.384 1.324 1.00 61.87 ? 179 SER L O 1 ATOM 6231 C CB . SER B 2 183 ? 14.808 -31.256 -0.180 1.00 57.49 ? 179 SER L CB 1 ATOM 6232 O OG . SER B 2 183 ? 16.164 -31.659 -0.268 1.00 57.32 ? 179 SER L OG 1 ATOM 6233 H H . SER B 2 183 ? 14.530 -31.902 2.229 1.00 56.45 ? 179 SER L H 1 ATOM 6234 H HA . SER B 2 183 ? 15.234 -29.611 0.982 1.00 64.07 ? 179 SER L HA 1 ATOM 6235 H HB2 . SER B 2 183 ? 14.251 -32.044 -0.086 1.00 68.98 ? 179 SER L HB2 1 ATOM 6236 H HB3 . SER B 2 183 ? 14.569 -30.776 -0.988 1.00 68.98 ? 179 SER L HB3 1 ATOM 6237 H HG . SER B 2 183 ? 16.269 -32.148 -0.917 1.00 68.79 ? 179 SER L HG 1 ATOM 6238 N N . LEU B 2 184 ? 13.115 -28.500 0.497 1.00 60.26 ? 180 LEU L N 1 ATOM 6239 C CA . LEU B 2 184 ? 11.847 -27.803 0.346 1.00 62.67 ? 180 LEU L CA 1 ATOM 6240 C C . LEU B 2 184 ? 11.877 -26.987 -0.935 1.00 64.26 ? 180 LEU L C 1 ATOM 6241 O O . LEU B 2 184 ? 12.948 -26.695 -1.467 1.00 64.65 ? 180 LEU L O 1 ATOM 6242 C CB . LEU B 2 184 ? 11.615 -26.859 1.525 1.00 62.53 ? 180 LEU L CB 1 ATOM 6243 C CG . LEU B 2 184 ? 11.652 -27.451 2.932 1.00 61.50 ? 180 LEU L CG 1 ATOM 6244 C CD1 . LEU B 2 184 ? 11.834 -26.339 3.950 1.00 61.48 ? 180 LEU L CD1 1 ATOM 6245 C CD2 . LEU B 2 184 ? 10.382 -28.232 3.220 1.00 63.73 ? 180 LEU L CD2 1 ATOM 6246 H H . LEU B 2 184 ? 13.797 -28.033 0.259 1.00 72.31 ? 180 LEU L H 1 ATOM 6247 H HA . LEU B 2 184 ? 11.111 -28.448 0.299 1.00 75.21 ? 180 LEU L HA 1 ATOM 6248 H HB2 . LEU B 2 184 ? 12.294 -26.167 1.492 1.00 75.04 ? 180 LEU L HB2 1 ATOM 6249 H HB3 . LEU B 2 184 ? 10.742 -26.451 1.413 1.00 75.04 ? 180 LEU L HB3 1 ATOM 6250 H HG . LEU B 2 184 ? 12.405 -28.057 3.005 1.00 73.80 ? 180 LEU L HG 1 ATOM 6251 H HD11 . LEU B 2 184 ? 11.856 -26.722 4.830 1.00 73.78 ? 180 LEU L HD11 1 ATOM 6252 H HD12 . LEU B 2 184 ? 12.659 -25.883 3.770 1.00 73.78 ? 180 LEU L HD12 1 ATOM 6253 H HD13 . LEU B 2 184 ? 11.098 -25.726 3.877 1.00 73.78 ? 180 LEU L HD13 1 ATOM 6254 H HD21 . LEU B 2 184 ? 10.432 -28.592 4.108 1.00 76.47 ? 180 LEU L HD21 1 ATOM 6255 H HD22 . LEU B 2 184 ? 9.629 -27.641 3.148 1.00 76.47 ? 180 LEU L HD22 1 ATOM 6256 H HD23 . LEU B 2 184 ? 10.302 -28.944 2.581 1.00 76.47 ? 180 LEU L HD23 1 ATOM 6257 N N . THR B 2 185 ? 10.701 -26.623 -1.432 1.00 65.85 ? 181 THR L N 1 ATOM 6258 C CA . THR B 2 185 ? 10.612 -25.614 -2.475 1.00 71.04 ? 181 THR L CA 1 ATOM 6259 C C . THR B 2 185 ? 10.567 -24.258 -1.786 1.00 75.98 ? 181 THR L C 1 ATOM 6260 O O . THR B 2 185 ? 10.054 -24.146 -0.673 1.00 77.65 ? 181 THR L O 1 ATOM 6261 C CB . THR B 2 185 ? 9.355 -25.786 -3.342 1.00 73.13 ? 181 THR L CB 1 ATOM 6262 O OG1 . THR B 2 185 ? 8.186 -25.702 -2.518 1.00 77.80 ? 181 THR L OG1 1 ATOM 6263 C CG2 . THR B 2 185 ? 9.375 -27.127 -4.059 1.00 69.25 ? 181 THR L CG2 1 ATOM 6264 H H . THR B 2 185 ? 9.943 -26.944 -1.183 1.00 79.02 ? 181 THR L H 1 ATOM 6265 H HA . THR B 2 185 ? 11.405 -25.654 -3.050 1.00 85.25 ? 181 THR L HA 1 ATOM 6266 H HB . THR B 2 185 ? 9.327 -25.083 -4.011 1.00 87.76 ? 181 THR L HB 1 ATOM 6267 H HG1 . THR B 2 185 ? 7.512 -25.793 -2.977 1.00 93.36 ? 181 THR L HG1 1 ATOM 6268 H HG21 . THR B 2 185 ? 8.586 -27.224 -4.597 1.00 83.10 ? 181 THR L HG21 1 ATOM 6269 H HG22 . THR B 2 185 ? 10.148 -27.185 -4.626 1.00 83.10 ? 181 THR L HG22 1 ATOM 6270 H HG23 . THR B 2 185 ? 9.405 -27.841 -3.418 1.00 83.10 ? 181 THR L HG23 1 ATOM 6271 N N . PRO B 2 186 ? 11.109 -23.221 -2.439 1.00 79.33 ? 182 PRO L N 1 ATOM 6272 C CA . PRO B 2 186 ? 11.122 -21.883 -1.838 1.00 80.15 ? 182 PRO L CA 1 ATOM 6273 C C . PRO B 2 186 ? 9.745 -21.450 -1.333 1.00 82.80 ? 182 PRO L C 1 ATOM 6274 O O . PRO B 2 186 ? 9.656 -20.570 -0.476 1.00 83.76 ? 182 PRO L O 1 ATOM 6275 C CB . PRO B 2 186 ? 11.572 -20.989 -2.995 1.00 86.22 ? 182 PRO L CB 1 ATOM 6276 C CG . PRO B 2 186 ? 12.380 -21.883 -3.866 1.00 87.27 ? 182 PRO L CG 1 ATOM 6277 C CD . PRO B 2 186 ? 11.739 -23.237 -3.770 1.00 84.36 ? 182 PRO L CD 1 ATOM 6278 H HA . PRO B 2 186 ? 11.775 -21.835 -1.109 1.00 96.18 ? 182 PRO L HA 1 ATOM 6279 H HB2 . PRO B 2 186 ? 10.797 -20.652 -3.471 1.00 103.47 ? 182 PRO L HB2 1 ATOM 6280 H HB3 . PRO B 2 186 ? 12.112 -20.259 -2.655 1.00 103.47 ? 182 PRO L HB3 1 ATOM 6281 H HG2 . PRO B 2 186 ? 12.354 -21.557 -4.779 1.00 104.72 ? 182 PRO L HG2 1 ATOM 6282 H HG3 . PRO B 2 186 ? 13.294 -21.914 -3.541 1.00 104.72 ? 182 PRO L HG3 1 ATOM 6283 H HD2 . PRO B 2 186 ? 11.067 -23.343 -4.461 1.00 101.23 ? 182 PRO L HD2 1 ATOM 6284 H HD3 . PRO B 2 186 ? 12.412 -23.934 -3.818 1.00 101.23 ? 182 PRO L HD3 1 ATOM 6285 N N . GLU B 2 187 ? 8.690 -22.069 -1.854 1.00 87.18 ? 183 GLU L N 1 ATOM 6286 C CA . GLU B 2 187 ? 7.327 -21.721 -1.467 1.00 96.07 ? 183 GLU L CA 1 ATOM 6287 C C . GLU B 2 187 ? 6.959 -22.380 -0.141 1.00 89.95 ? 183 GLU L C 1 ATOM 6288 O O . GLU B 2 187 ? 6.448 -21.724 0.767 1.00 90.15 ? 183 GLU L O 1 ATOM 6289 C CB . GLU B 2 187 ? 6.338 -22.143 -2.556 1.00 111.10 ? 183 GLU L CB 1 ATOM 6290 C CG . GLU B 2 187 ? 6.454 -21.344 -3.848 1.00 124.50 ? 183 GLU L CG 1 ATOM 6291 C CD . GLU B 2 187 ? 7.802 -21.507 -4.526 1.00 129.80 ? 183 GLU L CD 1 ATOM 6292 O OE1 . GLU B 2 187 ? 8.507 -22.495 -4.228 1.00 128.07 ? 183 GLU L OE1 1 ATOM 6293 O OE2 . GLU B 2 187 ? 8.158 -20.645 -5.356 1.00 135.06 ? 183 GLU L OE2 1 ATOM 6294 H H . GLU B 2 187 ? 8.737 -22.698 -2.438 1.00 104.61 ? 183 GLU L H 1 ATOM 6295 H HA . GLU B 2 187 ? 7.262 -20.750 -1.354 1.00 115.28 ? 183 GLU L HA 1 ATOM 6296 H HB2 . GLU B 2 187 ? 6.492 -23.076 -2.771 1.00 133.33 ? 183 GLU L HB2 1 ATOM 6297 H HB3 . GLU B 2 187 ? 5.436 -22.029 -2.218 1.00 133.33 ? 183 GLU L HB3 1 ATOM 6298 H HG2 . GLU B 2 187 ? 5.770 -21.644 -4.466 1.00 149.40 ? 183 GLU L HG2 1 ATOM 6299 H HG3 . GLU B 2 187 ? 6.331 -20.402 -3.649 1.00 149.40 ? 183 GLU L HG3 1 ATOM 6300 N N . GLN B 2 188 ? 7.226 -23.679 -0.036 1.00 85.64 ? 184 GLN L N 1 ATOM 6301 C CA . GLN B 2 188 ? 6.962 -24.419 1.192 1.00 83.05 ? 184 GLN L CA 1 ATOM 6302 C C . GLN B 2 188 ? 7.698 -23.773 2.357 1.00 78.37 ? 184 GLN L C 1 ATOM 6303 O O . GLN B 2 188 ? 7.152 -23.635 3.452 1.00 80.92 ? 184 GLN L O 1 ATOM 6304 C CB . GLN B 2 188 ? 7.412 -25.873 1.049 1.00 82.42 ? 184 GLN L CB 1 ATOM 6305 C CG . GLN B 2 188 ? 6.636 -26.666 0.011 1.00 87.20 ? 184 GLN L CG 1 ATOM 6306 C CD . GLN B 2 188 ? 7.236 -28.035 -0.243 1.00 85.69 ? 184 GLN L CD 1 ATOM 6307 O OE1 . GLN B 2 188 ? 8.315 -28.356 0.258 1.00 79.48 ? 184 GLN L OE1 1 ATOM 6308 N NE2 . GLN B 2 188 ? 6.537 -28.851 -1.026 1.00 90.92 ? 184 GLN L NE2 1 ATOM 6309 H H . GLN B 2 188 ? 7.561 -24.157 -0.667 1.00 102.77 ? 184 GLN L H 1 ATOM 6310 H HA . GLN B 2 188 ? 6.001 -24.406 1.384 1.00 99.65 ? 184 GLN L HA 1 ATOM 6311 H HB2 . GLN B 2 188 ? 8.347 -25.886 0.791 1.00 98.90 ? 184 GLN L HB2 1 ATOM 6312 H HB3 . GLN B 2 188 ? 7.301 -26.318 1.904 1.00 98.90 ? 184 GLN L HB3 1 ATOM 6313 H HG2 . GLN B 2 188 ? 5.726 -26.791 0.323 1.00 104.63 ? 184 GLN L HG2 1 ATOM 6314 H HG3 . GLN B 2 188 ? 6.636 -26.177 -0.826 1.00 104.63 ? 184 GLN L HG3 1 ATOM 6315 H HE21 . GLN B 2 188 ? 5.787 -28.591 -1.358 1.00 109.11 ? 184 GLN L HE21 1 ATOM 6316 H HE22 . GLN B 2 188 ? 6.835 -29.639 -1.201 1.00 109.11 ? 184 GLN L HE22 1 ATOM 6317 N N . TRP B 2 189 ? 8.943 -23.380 2.109 1.00 72.41 ? 185 TRP L N 1 ATOM 6318 C CA . TRP B 2 189 ? 9.765 -22.734 3.123 1.00 69.42 ? 185 TRP L CA 1 ATOM 6319 C C . TRP B 2 189 ? 9.072 -21.499 3.697 1.00 75.32 ? 185 TRP L C 1 ATOM 6320 O O . TRP B 2 189 ? 9.084 -21.282 4.909 1.00 76.12 ? 185 TRP L O 1 ATOM 6321 C CB . TRP B 2 189 ? 11.128 -22.358 2.536 1.00 66.57 ? 185 TRP L CB 1 ATOM 6322 C CG . TRP B 2 189 ? 11.936 -21.437 3.403 1.00 66.29 ? 185 TRP L CG 1 ATOM 6323 C CD1 . TRP B 2 189 ? 12.469 -20.233 3.043 1.00 65.55 ? 185 TRP L CD1 1 ATOM 6324 C CD2 . TRP B 2 189 ? 12.297 -21.640 4.776 1.00 67.23 ? 185 TRP L CD2 1 ATOM 6325 N NE1 . TRP B 2 189 ? 13.143 -19.677 4.103 1.00 64.29 ? 185 TRP L NE1 1 ATOM 6326 C CE2 . TRP B 2 189 ? 13.052 -20.520 5.179 1.00 66.04 ? 185 TRP L CE2 1 ATOM 6327 C CE3 . TRP B 2 189 ? 12.058 -22.660 5.703 1.00 69.31 ? 185 TRP L CE3 1 ATOM 6328 C CZ2 . TRP B 2 189 ? 13.568 -20.390 6.466 1.00 68.66 ? 185 TRP L CZ2 1 ATOM 6329 C CZ3 . TRP B 2 189 ? 12.573 -22.529 6.982 1.00 70.08 ? 185 TRP L CZ3 1 ATOM 6330 C CH2 . TRP B 2 189 ? 13.318 -21.402 7.351 1.00 70.02 ? 185 TRP L CH2 1 ATOM 6331 H H . TRP B 2 189 ? 9.339 -23.479 1.352 1.00 86.89 ? 185 TRP L H 1 ATOM 6332 H HA . TRP B 2 189 ? 9.916 -23.364 3.859 1.00 83.31 ? 185 TRP L HA 1 ATOM 6333 H HB2 . TRP B 2 189 ? 11.645 -23.169 2.405 1.00 79.89 ? 185 TRP L HB2 1 ATOM 6334 H HB3 . TRP B 2 189 ? 10.989 -21.916 1.684 1.00 79.89 ? 185 TRP L HB3 1 ATOM 6335 H HD1 . TRP B 2 189 ? 12.390 -19.847 2.200 1.00 78.66 ? 185 TRP L HD1 1 ATOM 6336 H HE1 . TRP B 2 189 ? 13.553 -18.921 4.093 1.00 77.15 ? 185 TRP L HE1 1 ATOM 6337 H HE3 . TRP B 2 189 ? 11.564 -23.411 5.465 1.00 83.17 ? 185 TRP L HE3 1 ATOM 6338 H HZ2 . TRP B 2 189 ? 14.064 -19.643 6.715 1.00 82.39 ? 185 TRP L HZ2 1 ATOM 6339 H HZ3 . TRP B 2 189 ? 12.420 -23.201 7.606 1.00 84.09 ? 185 TRP L HZ3 1 ATOM 6340 H HH2 . TRP B 2 189 ? 13.651 -21.341 8.217 1.00 84.02 ? 185 TRP L HH2 1 ATOM 6341 N N . LYS B 2 190 ? 8.460 -20.702 2.826 1.00 81.23 ? 186 LYS L N 1 ATOM 6342 C CA . LYS B 2 190 ? 7.786 -19.478 3.251 1.00 89.03 ? 186 LYS L CA 1 ATOM 6343 C C . LYS B 2 190 ? 6.290 -19.679 3.501 1.00 92.59 ? 186 LYS L C 1 ATOM 6344 O O . LYS B 2 190 ? 5.568 -18.714 3.755 1.00 93.43 ? 186 LYS L O 1 ATOM 6345 C CB . LYS B 2 190 ? 7.989 -18.370 2.211 1.00 98.10 ? 186 LYS L CB 1 ATOM 6346 C CG . LYS B 2 190 ? 9.316 -17.638 2.335 1.00 104.73 ? 186 LYS L CG 1 ATOM 6347 C CD . LYS B 2 190 ? 9.371 -16.429 1.411 1.00 115.89 ? 186 LYS L CD 1 ATOM 6348 C CE . LYS B 2 190 ? 10.574 -15.546 1.711 1.00 119.39 ? 186 LYS L CE 1 ATOM 6349 N NZ . LYS B 2 190 ? 11.864 -16.281 1.593 1.00 116.76 ? 186 LYS L NZ 1 ATOM 6350 H H . LYS B 2 190 ? 8.420 -20.848 1.980 1.00 97.48 ? 186 LYS L H 1 ATOM 6351 H HA . LYS B 2 190 ? 8.189 -19.174 4.091 1.00 106.83 ? 186 LYS L HA 1 ATOM 6352 H HB2 . LYS B 2 190 ? 7.950 -18.764 1.326 1.00 117.72 ? 186 LYS L HB2 1 ATOM 6353 H HB3 . LYS B 2 190 ? 7.280 -17.716 2.311 1.00 117.72 ? 186 LYS L HB3 1 ATOM 6354 H HG2 . LYS B 2 190 ? 9.428 -17.329 3.247 1.00 125.68 ? 186 LYS L HG2 1 ATOM 6355 H HG3 . LYS B 2 190 ? 10.038 -18.239 2.092 1.00 125.68 ? 186 LYS L HG3 1 ATOM 6356 H HD2 . LYS B 2 190 ? 9.438 -16.732 0.492 1.00 139.07 ? 186 LYS L HD2 1 ATOM 6357 H HD3 . LYS B 2 190 ? 8.568 -15.898 1.532 1.00 139.07 ? 186 LYS L HD3 1 ATOM 6358 H HE2 . LYS B 2 190 ? 10.589 -14.808 1.082 1.00 143.27 ? 186 LYS L HE2 1 ATOM 6359 H HE3 . LYS B 2 190 ? 10.501 -15.209 2.618 1.00 143.27 ? 186 LYS L HE3 1 ATOM 6360 H HZ1 . LYS B 2 190 ? 12.542 -15.734 1.774 1.00 140.11 ? 186 LYS L HZ1 1 ATOM 6361 H HZ2 . LYS B 2 190 ? 11.880 -16.962 2.166 1.00 140.11 ? 186 LYS L HZ2 1 ATOM 6362 H HZ3 . LYS B 2 190 ? 11.960 -16.596 0.766 1.00 140.11 ? 186 LYS L HZ3 1 ATOM 6363 N N . SER B 2 191 ? 5.825 -20.924 3.436 1.00 95.93 ? 187 SER L N 1 ATOM 6364 C CA . SER B 2 191 ? 4.410 -21.212 3.656 1.00 101.75 ? 187 SER L CA 1 ATOM 6365 C C . SER B 2 191 ? 4.122 -21.519 5.124 1.00 98.94 ? 187 SER L C 1 ATOM 6366 O O . SER B 2 191 ? 3.068 -21.152 5.646 1.00 103.57 ? 187 SER L O 1 ATOM 6367 C CB . SER B 2 191 ? 3.936 -22.365 2.761 1.00 104.80 ? 187 SER L CB 1 ATOM 6368 O OG . SER B 2 191 ? 4.503 -23.612 3.132 1.00 101.63 ? 187 SER L OG 1 ATOM 6369 H H . SER B 2 191 ? 6.306 -21.616 3.267 1.00 115.11 ? 187 SER L H 1 ATOM 6370 H HA . SER B 2 191 ? 3.890 -20.417 3.413 1.00 122.10 ? 187 SER L HA 1 ATOM 6371 H HB2 . SER B 2 191 ? 2.970 -22.431 2.826 1.00 125.76 ? 187 SER L HB2 1 ATOM 6372 H HB3 . SER B 2 191 ? 4.188 -22.170 1.844 1.00 125.76 ? 187 SER L HB3 1 ATOM 6373 H HG . SER B 2 191 ? 5.001 -23.512 3.776 1.00 121.96 ? 187 SER L HG 1 ATOM 6374 N N . HIS B 2 192 ? 5.066 -22.173 5.792 1.00 91.57 ? 188 HIS L N 1 ATOM 6375 C CA . HIS B 2 192 ? 4.897 -22.538 7.193 1.00 90.73 ? 188 HIS L CA 1 ATOM 6376 C C . HIS B 2 192 ? 5.559 -21.488 8.073 1.00 87.66 ? 188 HIS L C 1 ATOM 6377 O O . HIS B 2 192 ? 6.450 -20.767 7.625 1.00 88.84 ? 188 HIS L O 1 ATOM 6378 C CB . HIS B 2 192 ? 5.502 -23.916 7.471 1.00 90.45 ? 188 HIS L CB 1 ATOM 6379 C CG . HIS B 2 192 ? 4.871 -25.024 6.686 1.00 96.53 ? 188 HIS L CG 1 ATOM 6380 N ND1 . HIS B 2 192 ? 5.234 -25.319 5.389 1.00 98.32 ? 188 HIS L ND1 1 ATOM 6381 C CD2 . HIS B 2 192 ? 3.902 -25.911 7.015 1.00 101.16 ? 188 HIS L CD2 1 ATOM 6382 C CE1 . HIS B 2 192 ? 4.515 -26.338 4.953 1.00 101.41 ? 188 HIS L CE1 1 ATOM 6383 N NE2 . HIS B 2 192 ? 3.700 -26.716 5.921 1.00 103.13 ? 188 HIS L NE2 1 ATOM 6384 H H . HIS B 2 192 ? 5.818 -22.418 5.454 1.00 109.88 ? 188 HIS L H 1 ATOM 6385 H HA . HIS B 2 192 ? 3.942 -22.568 7.409 1.00 108.87 ? 188 HIS L HA 1 ATOM 6386 H HB2 . HIS B 2 192 ? 6.446 -23.894 7.246 1.00 108.54 ? 188 HIS L HB2 1 ATOM 6387 H HB3 . HIS B 2 192 ? 5.393 -24.120 8.413 1.00 108.54 ? 188 HIS L HB3 1 ATOM 6388 H HD2 . HIS B 2 192 ? 3.457 -25.965 7.830 1.00 121.39 ? 188 HIS L HD2 1 ATOM 6389 H HE1 . HIS B 2 192 ? 4.574 -26.723 4.109 1.00 121.69 ? 188 HIS L HE1 1 ATOM 6390 H HE2 . HIS B 2 192 ? 3.133 -27.362 5.873 1.00 123.75 ? 188 HIS L HE2 1 ATOM 6391 N N . LYS B 2 193 ? 5.123 -21.402 9.325 1.00 83.02 ? 189 LYS L N 1 ATOM 6392 C CA . LYS B 2 193 ? 5.653 -20.403 10.243 1.00 77.73 ? 189 LYS L CA 1 ATOM 6393 C C . LYS B 2 193 ? 7.027 -20.788 10.784 1.00 72.05 ? 189 LYS L C 1 ATOM 6394 O O . LYS B 2 193 ? 7.796 -19.924 11.204 1.00 72.11 ? 189 LYS L O 1 ATOM 6395 C CB . LYS B 2 193 ? 4.680 -20.167 11.400 1.00 79.40 ? 189 LYS L CB 1 ATOM 6396 C CG . LYS B 2 193 ? 3.498 -19.284 11.035 1.00 86.46 ? 189 LYS L CG 1 ATOM 6397 C CD . LYS B 2 193 ? 2.727 -18.848 12.269 1.00 91.42 ? 189 LYS L CD 1 ATOM 6398 C CE . LYS B 2 193 ? 1.618 -17.871 11.913 1.00 97.35 ? 189 LYS L CE 1 ATOM 6399 N NZ . LYS B 2 193 ? 0.895 -17.372 13.116 1.00 100.72 ? 189 LYS L NZ 1 ATOM 6400 H H . LYS B 2 193 ? 4.519 -21.910 9.666 1.00 99.62 ? 189 LYS L H 1 ATOM 6401 H HA . LYS B 2 193 ? 5.751 -19.555 9.761 1.00 93.27 ? 189 LYS L HA 1 ATOM 6402 H HB2 . LYS B 2 193 ? 4.332 -21.023 11.695 1.00 95.28 ? 189 LYS L HB2 1 ATOM 6403 H HB3 . LYS B 2 193 ? 5.158 -19.739 12.128 1.00 95.28 ? 189 LYS L HB3 1 ATOM 6404 H HG2 . LYS B 2 193 ? 3.820 -18.490 10.581 1.00 103.75 ? 189 LYS L HG2 1 ATOM 6405 H HG3 . LYS B 2 193 ? 2.895 -19.779 10.459 1.00 103.75 ? 189 LYS L HG3 1 ATOM 6406 H HD2 . LYS B 2 193 ? 2.326 -19.625 12.688 1.00 109.70 ? 189 LYS L HD2 1 ATOM 6407 H HD3 . LYS B 2 193 ? 3.333 -18.408 12.887 1.00 109.70 ? 189 LYS L HD3 1 ATOM 6408 H HE2 . LYS B 2 193 ? 2.002 -17.108 11.454 1.00 116.81 ? 189 LYS L HE2 1 ATOM 6409 H HE3 . LYS B 2 193 ? 0.975 -18.317 11.339 1.00 116.81 ? 189 LYS L HE3 1 ATOM 6410 H HZ1 . LYS B 2 193 ? 0.254 -16.805 12.872 1.00 120.86 ? 189 LYS L HZ1 1 ATOM 6411 H HZ2 . LYS B 2 193 ? 0.526 -18.054 13.554 1.00 120.86 ? 189 LYS L HZ2 1 ATOM 6412 H HZ3 . LYS B 2 193 ? 1.462 -16.953 13.659 1.00 120.86 ? 189 LYS L HZ3 1 ATOM 6413 N N . SER B 2 194 ? 7.337 -22.081 10.774 1.00 68.94 ? 190 SER L N 1 ATOM 6414 C CA . SER B 2 194 ? 8.631 -22.548 11.260 1.00 67.05 ? 190 SER L CA 1 ATOM 6415 C C . SER B 2 194 ? 8.878 -24.016 10.931 1.00 61.86 ? 190 SER L C 1 ATOM 6416 O O . SER B 2 194 ? 7.948 -24.765 10.635 1.00 61.30 ? 190 SER L O 1 ATOM 6417 C CB . SER B 2 194 ? 8.730 -22.350 12.774 1.00 70.58 ? 190 SER L CB 1 ATOM 6418 O OG . SER B 2 194 ? 7.816 -23.192 13.458 1.00 72.45 ? 190 SER L OG 1 ATOM 6419 H H . SER B 2 194 ? 6.818 -22.706 10.492 1.00 82.73 ? 190 SER L H 1 ATOM 6420 H HA . SER B 2 194 ? 9.340 -22.019 10.838 1.00 80.46 ? 190 SER L HA 1 ATOM 6421 H HB2 . SER B 2 194 ? 9.631 -22.563 13.062 1.00 84.70 ? 190 SER L HB2 1 ATOM 6422 H HB3 . SER B 2 194 ? 8.525 -21.425 12.985 1.00 84.70 ? 190 SER L HB3 1 ATOM 6423 H HG . SER B 2 194 ? 7.880 -23.075 14.267 1.00 86.94 ? 190 SER L HG 1 ATOM 6424 N N . TYR B 2 195 ? 10.146 -24.413 10.986 1.00 58.09 ? 191 TYR L N 1 ATOM 6425 C CA . TYR B 2 195 ? 10.538 -25.808 10.833 1.00 56.61 ? 191 TYR L CA 1 ATOM 6426 C C . TYR B 2 195 ? 11.427 -26.198 12.004 1.00 58.76 ? 191 TYR L C 1 ATOM 6427 O O . TYR B 2 195 ? 12.132 -25.355 12.558 1.00 57.47 ? 191 TYR L O 1 ATOM 6428 C CB . TYR B 2 195 ? 11.284 -26.019 9.517 1.00 55.38 ? 191 TYR L CB 1 ATOM 6429 C CG . TYR B 2 195 ? 10.385 -26.028 8.304 1.00 64.40 ? 191 TYR L CG 1 ATOM 6430 C CD1 . TYR B 2 195 ? 9.901 -24.844 7.764 1.00 73.94 ? 191 TYR L CD1 1 ATOM 6431 C CD2 . TYR B 2 195 ? 10.022 -27.222 7.697 1.00 67.42 ? 191 TYR L CD2 1 ATOM 6432 C CE1 . TYR B 2 195 ? 9.079 -24.850 6.656 1.00 80.66 ? 191 TYR L CE1 1 ATOM 6433 C CE2 . TYR B 2 195 ? 9.202 -27.238 6.588 1.00 73.95 ? 191 TYR L CE2 1 ATOM 6434 C CZ . TYR B 2 195 ? 8.734 -26.050 6.071 1.00 81.34 ? 191 TYR L CZ 1 ATOM 6435 O OH . TYR B 2 195 ? 7.915 -26.068 4.966 1.00 87.89 ? 191 TYR L OH 1 ATOM 6436 H H . TYR B 2 195 ? 10.810 -23.881 11.113 1.00 69.70 ? 191 TYR L H 1 ATOM 6437 H HA . TYR B 2 195 ? 9.741 -26.379 10.838 1.00 67.93 ? 191 TYR L HA 1 ATOM 6438 H HB2 . TYR B 2 195 ? 11.927 -25.302 9.404 1.00 66.45 ? 191 TYR L HB2 1 ATOM 6439 H HB3 . TYR B 2 195 ? 11.744 -26.872 9.551 1.00 66.45 ? 191 TYR L HB3 1 ATOM 6440 H HD1 . TYR B 2 195 ? 10.133 -24.034 8.157 1.00 88.73 ? 191 TYR L HD1 1 ATOM 6441 H HD2 . TYR B 2 195 ? 10.337 -28.026 8.044 1.00 80.90 ? 191 TYR L HD2 1 ATOM 6442 H HE1 . TYR B 2 195 ? 8.761 -24.050 6.304 1.00 96.79 ? 191 TYR L HE1 1 ATOM 6443 H HE2 . TYR B 2 195 ? 8.966 -28.046 6.192 1.00 88.74 ? 191 TYR L HE2 1 ATOM 6444 H HH . TYR B 2 195 ? 7.234 -26.495 5.127 1.00 105.47 ? 191 TYR L HH 1 ATOM 6445 N N . SER B 2 196 ? 11.401 -27.475 12.373 1.00 60.29 ? 192 SER L N 1 ATOM 6446 C CA . SER B 2 196 ? 12.120 -27.930 13.556 1.00 57.51 ? 192 SER L CA 1 ATOM 6447 C C . SER B 2 196 ? 12.880 -29.228 13.305 1.00 48.09 ? 192 SER L C 1 ATOM 6448 O O . SER B 2 196 ? 12.418 -30.107 12.580 1.00 44.61 ? 192 SER L O 1 ATOM 6449 C CB . SER B 2 196 ? 11.149 -28.116 14.724 1.00 63.92 ? 192 SER L CB 1 ATOM 6450 O OG . SER B 2 196 ? 10.502 -26.898 15.047 1.00 70.99 ? 192 SER L OG 1 ATOM 6451 H H . SER B 2 196 ? 10.976 -28.095 11.957 1.00 72.35 ? 192 SER L H 1 ATOM 6452 H HA . SER B 2 196 ? 12.772 -27.245 13.813 1.00 69.01 ? 192 SER L HA 1 ATOM 6453 H HB2 . SER B 2 196 ? 10.479 -28.773 14.476 1.00 76.71 ? 192 SER L HB2 1 ATOM 6454 H HB3 . SER B 2 196 ? 11.644 -28.425 15.499 1.00 76.71 ? 192 SER L HB3 1 ATOM 6455 H HG . SER B 2 196 ? 9.986 -27.012 15.674 1.00 85.19 ? 192 SER L HG 1 ATOM 6456 N N . CYS B 2 197 ? 14.056 -29.327 13.914 1.00 45.18 ? 193 CYS L N 1 ATOM 6457 C CA . CYS B 2 197 ? 14.863 -30.537 13.859 1.00 44.40 ? 193 CYS L CA 1 ATOM 6458 C C . CYS B 2 197 ? 14.925 -31.146 15.255 1.00 41.94 ? 193 CYS L C 1 ATOM 6459 O O . CYS B 2 197 ? 15.416 -30.515 16.190 1.00 42.08 ? 193 CYS L O 1 ATOM 6460 C CB . CYS B 2 197 ? 16.272 -30.208 13.356 1.00 43.93 ? 193 CYS L CB 1 ATOM 6461 S SG . CYS B 2 197 ? 17.417 -31.609 13.323 1.00 72.04 ? 193 CYS L SG 1 ATOM 6462 H H . CYS B 2 197 ? 14.415 -28.695 14.373 1.00 54.22 ? 193 CYS L H 1 ATOM 6463 H HA . CYS B 2 197 ? 14.452 -31.184 13.249 1.00 53.28 ? 193 CYS L HA 1 ATOM 6464 H HB2 . CYS B 2 197 ? 16.204 -29.864 12.452 1.00 52.72 ? 193 CYS L HB2 1 ATOM 6465 H HB3 . CYS B 2 197 ? 16.655 -29.530 13.935 1.00 52.72 ? 193 CYS L HB3 1 ATOM 6466 N N . GLN B 2 198 ? 14.414 -32.366 15.394 1.00 39.92 ? 194 GLN L N 1 ATOM 6467 C CA . GLN B 2 198 ? 14.379 -33.047 16.686 1.00 41.48 ? 194 GLN L CA 1 ATOM 6468 C C . GLN B 2 198 ? 15.327 -34.242 16.718 1.00 39.06 ? 194 GLN L C 1 ATOM 6469 O O . GLN B 2 198 ? 15.171 -35.193 15.952 1.00 42.60 ? 194 GLN L O 1 ATOM 6470 C CB . GLN B 2 198 ? 12.961 -33.516 17.000 1.00 50.36 ? 194 GLN L CB 1 ATOM 6471 C CG . GLN B 2 198 ? 11.954 -32.394 17.140 1.00 65.04 ? 194 GLN L CG 1 ATOM 6472 C CD . GLN B 2 198 ? 10.556 -32.911 17.404 1.00 80.96 ? 194 GLN L CD 1 ATOM 6473 O OE1 . GLN B 2 198 ? 10.284 -34.101 17.248 1.00 83.52 ? 194 GLN L OE1 1 ATOM 6474 N NE2 . GLN B 2 198 ? 9.662 -32.018 17.811 1.00 91.15 ? 194 GLN L NE2 1 ATOM 6475 H H . GLN B 2 198 ? 14.078 -32.825 14.750 1.00 47.90 ? 194 GLN L H 1 ATOM 6476 H HA . GLN B 2 198 ? 14.656 -32.420 17.387 1.00 49.77 ? 194 GLN L HA 1 ATOM 6477 H HB2 . GLN B 2 198 ? 12.659 -34.096 16.283 1.00 60.43 ? 194 GLN L HB2 1 ATOM 6478 H HB3 . GLN B 2 198 ? 12.974 -34.008 17.836 1.00 60.43 ? 194 GLN L HB3 1 ATOM 6479 H HG2 . GLN B 2 198 ? 12.212 -31.827 17.884 1.00 78.04 ? 194 GLN L HG2 1 ATOM 6480 H HG3 . GLN B 2 198 ? 11.935 -31.880 16.318 1.00 78.04 ? 194 GLN L HG3 1 ATOM 6481 H HE21 . GLN B 2 198 ? 9.891 -31.195 17.911 1.00 109.38 ? 194 GLN L HE21 1 ATOM 6482 H HE22 . GLN B 2 198 ? 8.854 -32.263 17.974 1.00 109.38 ? 194 GLN L HE22 1 ATOM 6483 N N . VAL B 2 199 ? 16.298 -34.190 17.623 1.00 35.38 ? 195 VAL L N 1 ATOM 6484 C CA . VAL B 2 199 ? 17.303 -35.239 17.743 1.00 33.60 ? 195 VAL L CA 1 ATOM 6485 C C . VAL B 2 199 ? 17.141 -35.984 19.064 1.00 35.04 ? 195 VAL L C 1 ATOM 6486 O O . VAL B 2 199 ? 17.041 -35.367 20.123 1.00 38.17 ? 195 VAL L O 1 ATOM 6487 C CB . VAL B 2 199 ? 18.722 -34.649 17.685 1.00 32.21 ? 195 VAL L CB 1 ATOM 6488 C CG1 . VAL B 2 199 ? 19.766 -35.756 17.755 1.00 32.22 ? 195 VAL L CG1 1 ATOM 6489 C CG2 . VAL B 2 199 ? 18.897 -33.816 16.425 1.00 33.69 ? 195 VAL L CG2 1 ATOM 6490 H H . VAL B 2 199 ? 16.398 -33.549 18.187 1.00 42.46 ? 195 VAL L H 1 ATOM 6491 H HA . VAL B 2 199 ? 17.199 -35.879 17.008 1.00 40.32 ? 195 VAL L HA 1 ATOM 6492 H HB . VAL B 2 199 ? 18.854 -34.061 18.457 1.00 38.66 ? 195 VAL L HB 1 ATOM 6493 H HG11 . VAL B 2 199 ? 20.641 -35.363 17.716 1.00 38.66 ? 195 VAL L HG11 1 ATOM 6494 H HG12 . VAL B 2 199 ? 19.657 -36.235 18.579 1.00 38.66 ? 195 VAL L HG12 1 ATOM 6495 H HG13 . VAL B 2 199 ? 19.641 -36.350 17.011 1.00 38.66 ? 195 VAL L HG13 1 ATOM 6496 H HG21 . VAL B 2 199 ? 19.788 -33.458 16.410 1.00 40.43 ? 195 VAL L HG21 1 ATOM 6497 H HG22 . VAL B 2 199 ? 18.755 -34.376 15.658 1.00 40.43 ? 195 VAL L HG22 1 ATOM 6498 H HG23 . VAL B 2 199 ? 18.257 -33.101 16.433 1.00 40.43 ? 195 VAL L HG23 1 ATOM 6499 N N . THR B 2 200 ? 17.119 -37.311 18.997 1.00 32.88 ? 196 THR L N 1 ATOM 6500 C CA . THR B 2 200 ? 16.990 -38.136 20.193 1.00 34.96 ? 196 THR L CA 1 ATOM 6501 C C . THR B 2 200 ? 18.281 -38.903 20.465 1.00 33.80 ? 196 THR L C 1 ATOM 6502 O O . THR B 2 200 ? 18.767 -39.647 19.613 1.00 32.63 ? 196 THR L O 1 ATOM 6503 C CB . THR B 2 200 ? 15.829 -39.136 20.067 1.00 37.00 ? 196 THR L CB 1 ATOM 6504 O OG1 . THR B 2 200 ? 14.599 -38.423 19.890 1.00 38.20 ? 196 THR L OG1 1 ATOM 6505 C CG2 . THR B 2 200 ? 15.732 -40.003 21.313 1.00 37.65 ? 196 THR L CG2 1 ATOM 6506 H H . THR B 2 200 ? 17.177 -37.761 18.266 1.00 39.45 ? 196 THR L H 1 ATOM 6507 H HA . THR B 2 200 ? 16.812 -37.557 20.964 1.00 41.95 ? 196 THR L HA 1 ATOM 6508 H HB . THR B 2 200 ? 15.981 -39.713 19.302 1.00 44.40 ? 196 THR L HB 1 ATOM 6509 H HG1 . THR B 2 200 ? 14.463 -37.933 20.533 1.00 45.84 ? 196 THR L HG1 1 ATOM 6510 H HG21 . THR B 2 200 ? 15.004 -40.623 21.224 1.00 45.18 ? 196 THR L HG21 1 ATOM 6511 H HG22 . THR B 2 200 ? 16.548 -40.494 21.435 1.00 45.18 ? 196 THR L HG22 1 ATOM 6512 H HG23 . THR B 2 200 ? 15.580 -39.453 22.084 1.00 45.18 ? 196 THR L HG23 1 ATOM 6513 N N . HIS B 2 201 ? 18.824 -38.717 21.664 1.00 33.38 ? 197 HIS L N 1 ATOM 6514 C CA . HIS B 2 201 ? 20.086 -39.334 22.055 1.00 28.62 ? 197 HIS L CA 1 ATOM 6515 C C . HIS B 2 201 ? 19.939 -39.985 23.425 1.00 27.22 ? 197 HIS L C 1 ATOM 6516 O O . HIS B 2 201 ? 19.636 -39.310 24.410 1.00 27.57 ? 197 HIS L O 1 ATOM 6517 C CB . HIS B 2 201 ? 21.190 -38.276 22.091 1.00 28.94 ? 197 HIS L CB 1 ATOM 6518 C CG . HIS B 2 201 ? 22.533 -38.812 22.476 1.00 29.31 ? 197 HIS L CG 1 ATOM 6519 N ND1 . HIS B 2 201 ? 23.096 -38.589 23.714 1.00 30.24 ? 197 HIS L ND1 1 ATOM 6520 C CD2 . HIS B 2 201 ? 23.428 -39.554 21.782 1.00 28.76 ? 197 HIS L CD2 1 ATOM 6521 C CE1 . HIS B 2 201 ? 24.279 -39.175 23.768 1.00 32.18 ? 197 HIS L CE1 1 ATOM 6522 N NE2 . HIS B 2 201 ? 24.505 -39.767 22.609 1.00 32.19 ? 197 HIS L NE2 1 ATOM 6523 H H . HIS B 2 201 ? 18.474 -38.228 22.279 1.00 40.06 ? 197 HIS L H 1 ATOM 6524 H HA . HIS B 2 201 ? 20.332 -40.023 21.404 1.00 34.35 ? 197 HIS L HA 1 ATOM 6525 H HB2 . HIS B 2 201 ? 21.271 -37.879 21.209 1.00 34.73 ? 197 HIS L HB2 1 ATOM 6526 H HB3 . HIS B 2 201 ? 20.947 -37.594 22.737 1.00 34.73 ? 197 HIS L HB3 1 ATOM 6527 H HD2 . HIS B 2 201 ? 23.332 -39.863 20.910 1.00 34.51 ? 197 HIS L HD2 1 ATOM 6528 H HE1 . HIS B 2 201 ? 24.855 -39.171 24.498 1.00 38.61 ? 197 HIS L HE1 1 ATOM 6529 H HE2 . HIS B 2 201 ? 25.211 -40.214 22.405 1.00 38.63 ? 197 HIS L HE2 1 ATOM 6530 N N . GLU B 2 202 ? 20.152 -41.297 23.482 1.00 30.07 ? 198 GLU L N 1 ATOM 6531 C CA . GLU B 2 202 ? 20.008 -42.052 24.726 1.00 35.30 ? 198 GLU L CA 1 ATOM 6532 C C . GLU B 2 202 ? 18.643 -41.806 25.362 1.00 36.55 ? 198 GLU L C 1 ATOM 6533 O O . GLU B 2 202 ? 18.530 -41.712 26.583 1.00 41.92 ? 198 GLU L O 1 ATOM 6534 C CB . GLU B 2 202 ? 21.110 -41.670 25.717 1.00 45.45 ? 198 GLU L CB 1 ATOM 6535 C CG . GLU B 2 202 ? 22.515 -41.716 25.138 1.00 57.85 ? 198 GLU L CG 1 ATOM 6536 C CD . GLU B 2 202 ? 22.944 -43.119 24.758 1.00 67.08 ? 198 GLU L CD 1 ATOM 6537 O OE1 . GLU B 2 202 ? 23.008 -43.985 25.657 1.00 64.12 ? 198 GLU L OE1 1 ATOM 6538 O OE2 . GLU B 2 202 ? 23.217 -43.357 23.561 1.00 75.16 ? 198 GLU L OE2 1 ATOM 6539 H H . GLU B 2 202 ? 20.384 -41.778 22.808 1.00 36.09 ? 198 GLU L H 1 ATOM 6540 H HA . GLU B 2 202 ? 20.088 -43.009 24.533 1.00 42.36 ? 198 GLU L HA 1 ATOM 6541 H HB2 . GLU B 2 202 ? 20.949 -40.765 26.028 1.00 54.54 ? 198 GLU L HB2 1 ATOM 6542 H HB3 . GLU B 2 202 ? 21.080 -42.284 26.467 1.00 54.54 ? 198 GLU L HB3 1 ATOM 6543 H HG2 . GLU B 2 202 ? 22.546 -41.166 24.340 1.00 69.42 ? 198 GLU L HG2 1 ATOM 6544 H HG3 . GLU B 2 202 ? 23.140 -41.379 25.798 1.00 69.42 ? 198 GLU L HG3 1 ATOM 6545 N N . GLY B 2 203 ? 17.613 -41.687 24.531 1.00 37.38 ? 199 GLY L N 1 ATOM 6546 C CA . GLY B 2 203 ? 16.252 -41.535 25.017 1.00 37.84 ? 199 GLY L CA 1 ATOM 6547 C C . GLY B 2 203 ? 15.848 -40.100 25.306 1.00 37.80 ? 199 GLY L C 1 ATOM 6548 O O . GLY B 2 203 ? 14.680 -39.830 25.588 1.00 40.28 ? 199 GLY L O 1 ATOM 6549 H H . GLY B 2 203 ? 17.679 -41.693 23.674 1.00 44.86 ? 199 GLY L H 1 ATOM 6550 H HA2 . GLY B 2 203 ? 15.639 -41.894 24.357 1.00 45.40 ? 199 GLY L HA2 1 ATOM 6551 H HA3 . GLY B 2 203 ? 16.149 -42.047 25.835 1.00 45.40 ? 199 GLY L HA3 1 ATOM 6552 N N . SER B 2 204 ? 16.806 -39.179 25.233 1.00 36.94 ? 200 SER L N 1 ATOM 6553 C CA . SER B 2 204 ? 16.545 -37.774 25.541 1.00 43.91 ? 200 SER L CA 1 ATOM 6554 C C . SER B 2 204 ? 16.601 -36.910 24.284 1.00 45.28 ? 200 SER L C 1 ATOM 6555 O O . SER B 2 204 ? 17.520 -37.032 23.472 1.00 44.86 ? 200 SER L O 1 ATOM 6556 C CB . SER B 2 204 ? 17.548 -37.261 26.576 1.00 47.22 ? 200 SER L CB 1 ATOM 6557 O OG . SER B 2 204 ? 17.380 -37.926 27.818 1.00 51.20 ? 200 SER L OG 1 ATOM 6558 H H . SER B 2 204 ? 17.620 -39.343 25.008 1.00 44.33 ? 200 SER L H 1 ATOM 6559 H HA . SER B 2 204 ? 15.647 -37.693 25.924 1.00 52.69 ? 200 SER L HA 1 ATOM 6560 H HB2 . SER B 2 204 ? 18.447 -37.422 26.251 1.00 56.67 ? 200 SER L HB2 1 ATOM 6561 H HB3 . SER B 2 204 ? 17.408 -36.310 26.707 1.00 56.67 ? 200 SER L HB3 1 ATOM 6562 H HG . SER B 2 204 ? 17.923 -37.642 28.363 1.00 61.45 ? 200 SER L HG 1 ATOM 6563 N N . THR B 2 205 ? 15.620 -36.023 24.140 1.00 46.74 ? 201 THR L N 1 ATOM 6564 C CA . THR B 2 205 ? 15.449 -35.262 22.907 1.00 49.93 ? 201 THR L CA 1 ATOM 6565 C C . THR B 2 205 ? 15.923 -33.815 23.016 1.00 48.54 ? 201 THR L C 1 ATOM 6566 O O . THR B 2 205 ? 15.744 -33.159 24.041 1.00 51.59 ? 201 THR L O 1 ATOM 6567 C CB . THR B 2 205 ? 13.974 -35.261 22.460 1.00 59.26 ? 201 THR L CB 1 ATOM 6568 O OG1 . THR B 2 205 ? 13.537 -36.609 22.245 1.00 63.09 ? 201 THR L OG1 1 ATOM 6569 C CG2 . THR B 2 205 ? 13.798 -34.463 21.175 1.00 61.68 ? 201 THR L CG2 1 ATOM 6570 H H . THR B 2 205 ? 15.037 -35.843 24.746 1.00 56.08 ? 201 THR L H 1 ATOM 6571 H HA . THR B 2 205 ? 15.973 -35.693 22.199 1.00 59.91 ? 201 THR L HA 1 ATOM 6572 H HB . THR B 2 205 ? 13.429 -34.853 23.151 1.00 71.11 ? 201 THR L HB 1 ATOM 6573 H HG1 . THR B 2 205 ? 12.752 -36.614 22.007 1.00 75.71 ? 201 THR L HG1 1 ATOM 6574 H HG21 . THR B 2 205 ? 12.876 -34.470 20.909 1.00 74.02 ? 201 THR L HG21 1 ATOM 6575 H HG22 . THR B 2 205 ? 14.076 -33.554 21.313 1.00 74.02 ? 201 THR L HG22 1 ATOM 6576 H HG23 . THR B 2 205 ? 14.329 -34.848 20.474 1.00 74.02 ? 201 THR L HG23 1 ATOM 6577 N N . VAL B 2 206 ? 16.529 -33.332 21.936 1.00 45.98 ? 202 VAL L N 1 ATOM 6578 C CA . VAL B 2 206 ? 16.967 -31.947 21.826 1.00 47.33 ? 202 VAL L CA 1 ATOM 6579 C C . VAL B 2 206 ? 16.445 -31.390 20.508 1.00 53.06 ? 202 VAL L C 1 ATOM 6580 O O . VAL B 2 206 ? 16.523 -32.056 19.475 1.00 54.23 ? 202 VAL L O 1 ATOM 6581 C CB . VAL B 2 206 ? 18.500 -31.842 21.846 1.00 42.58 ? 202 VAL L CB 1 ATOM 6582 C CG1 . VAL B 2 206 ? 18.940 -30.391 21.705 1.00 46.39 ? 202 VAL L CG1 1 ATOM 6583 C CG2 . VAL B 2 206 ? 19.052 -32.452 23.121 1.00 36.98 ? 202 VAL L CG2 1 ATOM 6584 H H . VAL B 2 206 ? 16.702 -33.801 21.236 1.00 55.18 ? 202 VAL L H 1 ATOM 6585 H HA . VAL B 2 206 ? 16.600 -31.418 22.565 1.00 56.80 ? 202 VAL L HA 1 ATOM 6586 H HB . VAL B 2 206 ? 18.864 -32.344 21.087 1.00 51.10 ? 202 VAL L HB 1 ATOM 6587 H HG11 . VAL B 2 206 ? 19.899 -30.354 21.720 1.00 55.66 ? 202 VAL L HG11 1 ATOM 6588 H HG12 . VAL B 2 206 ? 18.611 -30.045 20.872 1.00 55.66 ? 202 VAL L HG12 1 ATOM 6589 H HG13 . VAL B 2 206 ? 18.580 -29.884 22.436 1.00 55.66 ? 202 VAL L HG13 1 ATOM 6590 H HG21 . VAL B 2 206 ? 20.009 -32.377 23.114 1.00 44.38 ? 202 VAL L HG21 1 ATOM 6591 H HG22 . VAL B 2 206 ? 18.692 -31.980 23.875 1.00 44.38 ? 202 VAL L HG22 1 ATOM 6592 H HG23 . VAL B 2 206 ? 18.796 -33.377 23.162 1.00 44.38 ? 202 VAL L HG23 1 ATOM 6593 N N . GLU B 2 207 ? 15.920 -30.169 20.539 1.00 55.58 ? 203 GLU L N 1 ATOM 6594 C CA . GLU B 2 207 ? 15.230 -29.615 19.379 1.00 57.74 ? 203 GLU L CA 1 ATOM 6595 C C . GLU B 2 207 ? 15.633 -28.177 19.080 1.00 56.21 ? 203 GLU L C 1 ATOM 6596 O O . GLU B 2 207 ? 15.831 -27.372 19.989 1.00 55.75 ? 203 GLU L O 1 ATOM 6597 C CB . GLU B 2 207 ? 13.717 -29.680 19.600 1.00 68.44 ? 203 GLU L CB 1 ATOM 6598 C CG . GLU B 2 207 ? 12.888 -29.148 18.437 1.00 84.01 ? 203 GLU L CG 1 ATOM 6599 C CD . GLU B 2 207 ? 11.419 -29.000 18.789 1.00 102.52 ? 203 GLU L CD 1 ATOM 6600 O OE1 . GLU B 2 207 ? 11.115 -28.702 19.964 1.00 107.50 ? 203 GLU L OE1 1 ATOM 6601 O OE2 . GLU B 2 207 ? 10.569 -29.183 17.893 1.00 111.55 ? 203 GLU L OE2 1 ATOM 6602 H H . GLU B 2 207 ? 15.949 -29.643 21.219 1.00 66.70 ? 203 GLU L H 1 ATOM 6603 H HA . GLU B 2 207 ? 15.445 -30.159 18.593 1.00 69.28 ? 203 GLU L HA 1 ATOM 6604 H HB2 . GLU B 2 207 ? 13.463 -30.605 19.743 1.00 82.12 ? 203 GLU L HB2 1 ATOM 6605 H HB3 . GLU B 2 207 ? 13.495 -29.155 20.384 1.00 82.12 ? 203 GLU L HB3 1 ATOM 6606 H HG2 . GLU B 2 207 ? 13.225 -28.275 18.181 1.00 100.82 ? 203 GLU L HG2 1 ATOM 6607 H HG3 . GLU B 2 207 ? 12.957 -29.763 17.691 1.00 100.82 ? 203 GLU L HG3 1 ATOM 6608 N N . LYS B 2 208 ? 15.750 -27.867 17.793 1.00 56.13 ? 204 LYS L N 1 ATOM 6609 C CA . LYS B 2 208 ? 15.961 -26.497 17.344 1.00 56.88 ? 204 LYS L CA 1 ATOM 6610 C C . LYS B 2 208 ? 14.893 -26.099 16.334 1.00 57.17 ? 204 LYS L C 1 ATOM 6611 O O . LYS B 2 208 ? 14.230 -26.953 15.747 1.00 56.90 ? 204 LYS L O 1 ATOM 6612 C CB . LYS B 2 208 ? 17.351 -26.333 16.728 1.00 57.21 ? 204 LYS L CB 1 ATOM 6613 C CG . LYS B 2 208 ? 18.465 -26.146 17.742 1.00 62.89 ? 204 LYS L CG 1 ATOM 6614 C CD . LYS B 2 208 ? 18.209 -24.938 18.634 1.00 73.37 ? 204 LYS L CD 1 ATOM 6615 C CE . LYS B 2 208 ? 19.345 -24.708 19.615 1.00 81.01 ? 204 LYS L CE 1 ATOM 6616 N NZ . LYS B 2 208 ? 20.602 -24.283 18.940 1.00 86.04 ? 204 LYS L NZ 1 ATOM 6617 H H . LYS B 2 208 ? 15.710 -28.440 17.153 1.00 67.36 ? 204 LYS L H 1 ATOM 6618 H HA . LYS B 2 208 ? 15.895 -25.893 18.113 1.00 68.26 ? 204 LYS L HA 1 ATOM 6619 H HB2 . LYS B 2 208 ? 17.556 -27.125 16.207 1.00 68.66 ? 204 LYS L HB2 1 ATOM 6620 H HB3 . LYS B 2 208 ? 17.345 -25.554 16.150 1.00 68.66 ? 204 LYS L HB3 1 ATOM 6621 H HG2 . LYS B 2 208 ? 18.521 -26.934 18.305 1.00 75.46 ? 204 LYS L HG2 1 ATOM 6622 H HG3 . LYS B 2 208 ? 19.304 -26.007 17.275 1.00 75.46 ? 204 LYS L HG3 1 ATOM 6623 H HD2 . LYS B 2 208 ? 18.122 -24.146 18.081 1.00 88.04 ? 204 LYS L HD2 1 ATOM 6624 H HD3 . LYS B 2 208 ? 17.395 -25.083 19.141 1.00 88.04 ? 204 LYS L HD3 1 ATOM 6625 H HE2 . LYS B 2 208 ? 19.088 -24.013 20.240 1.00 97.21 ? 204 LYS L HE2 1 ATOM 6626 H HE3 . LYS B 2 208 ? 19.524 -25.534 20.091 1.00 97.21 ? 204 LYS L HE3 1 ATOM 6627 H HZ1 . LYS B 2 208 ? 21.244 -24.158 19.544 1.00 103.25 ? 204 LYS L HZ1 1 ATOM 6628 H HZ2 . LYS B 2 208 ? 20.864 -24.908 18.364 1.00 103.25 ? 204 LYS L HZ2 1 ATOM 6629 H HZ3 . LYS B 2 208 ? 20.467 -23.521 18.500 1.00 103.25 ? 204 LYS L HZ3 1 ATOM 6630 N N . THR B 2 209 ? 14.736 -24.795 16.137 1.00 57.62 ? 205 THR L N 1 ATOM 6631 C CA . THR B 2 209 ? 13.698 -24.273 15.258 1.00 58.12 ? 205 THR L CA 1 ATOM 6632 C C . THR B 2 209 ? 14.204 -23.077 14.460 1.00 60.59 ? 205 THR L C 1 ATOM 6633 O O . THR B 2 209 ? 15.062 -22.326 14.923 1.00 61.41 ? 205 THR L O 1 ATOM 6634 C CB . THR B 2 209 ? 12.456 -23.844 16.066 1.00 59.05 ? 205 THR L CB 1 ATOM 6635 O OG1 . THR B 2 209 ? 11.967 -24.956 16.827 1.00 61.98 ? 205 THR L OG1 1 ATOM 6636 C CG2 . THR B 2 209 ? 11.355 -23.338 15.143 1.00 57.16 ? 205 THR L CG2 1 ATOM 6637 H H . THR B 2 209 ? 15.222 -24.187 16.503 1.00 69.15 ? 205 THR L H 1 ATOM 6638 H HA . THR B 2 209 ? 13.428 -24.972 14.627 1.00 69.75 ? 205 THR L HA 1 ATOM 6639 H HB . THR B 2 209 ? 12.700 -23.125 16.670 1.00 70.86 ? 205 THR L HB 1 ATOM 6640 H HG1 . THR B 2 209 ? 11.761 -25.571 16.325 1.00 74.37 ? 205 THR L HG1 1 ATOM 6641 H HG21 . THR B 2 209 ? 10.589 -23.075 15.659 1.00 68.59 ? 205 THR L HG21 1 ATOM 6642 H HG22 . THR B 2 209 ? 11.668 -22.581 14.642 1.00 68.59 ? 205 THR L HG22 1 ATOM 6643 H HG23 . THR B 2 209 ? 11.095 -24.031 14.531 1.00 68.59 ? 205 THR L HG23 1 ATOM 6644 N N . VAL B 2 210 ? 13.669 -22.916 13.254 1.00 62.43 ? 206 VAL L N 1 ATOM 6645 C CA . VAL B 2 210 ? 13.981 -21.768 12.411 1.00 63.85 ? 206 VAL L CA 1 ATOM 6646 C C . VAL B 2 210 ? 12.717 -21.286 11.710 1.00 65.64 ? 206 VAL L C 1 ATOM 6647 O O . VAL B 2 210 ? 11.863 -22.090 11.337 1.00 66.31 ? 206 VAL L O 1 ATOM 6648 C CB . VAL B 2 210 ? 15.040 -22.113 11.345 1.00 61.84 ? 206 VAL L CB 1 ATOM 6649 C CG1 . VAL B 2 210 ? 16.381 -22.397 12.001 1.00 63.01 ? 206 VAL L CG1 1 ATOM 6650 C CG2 . VAL B 2 210 ? 14.586 -23.297 10.502 1.00 56.92 ? 206 VAL L CG2 1 ATOM 6651 H H . VAL B 2 210 ? 13.113 -23.467 12.897 1.00 74.92 ? 206 VAL L H 1 ATOM 6652 H HA . VAL B 2 210 ? 14.326 -21.038 12.967 1.00 76.61 ? 206 VAL L HA 1 ATOM 6653 H HB . VAL B 2 210 ? 15.153 -21.343 10.749 1.00 74.21 ? 206 VAL L HB 1 ATOM 6654 H HG11 . VAL B 2 210 ? 17.023 -22.609 11.319 1.00 75.62 ? 206 VAL L HG11 1 ATOM 6655 H HG12 . VAL B 2 210 ? 16.663 -21.618 12.486 1.00 75.62 ? 206 VAL L HG12 1 ATOM 6656 H HG13 . VAL B 2 210 ? 16.284 -23.140 12.601 1.00 75.62 ? 206 VAL L HG13 1 ATOM 6657 H HG21 . VAL B 2 210 ? 15.261 -23.491 9.847 1.00 68.30 ? 206 VAL L HG21 1 ATOM 6658 H HG22 . VAL B 2 210 ? 14.457 -24.056 11.074 1.00 68.30 ? 206 VAL L HG22 1 ATOM 6659 H HG23 . VAL B 2 210 ? 13.762 -23.071 10.065 1.00 68.30 ? 206 VAL L HG23 1 ATOM 6660 N N . ALA B 2 211 ? 12.601 -19.974 11.534 1.00 65.94 ? 207 ALA L N 1 ATOM 6661 C CA . ALA B 2 211 ? 11.428 -19.393 10.891 1.00 64.62 ? 207 ALA L CA 1 ATOM 6662 C C . ALA B 2 211 ? 11.836 -18.508 9.719 1.00 66.75 ? 207 ALA L C 1 ATOM 6663 O O . ALA B 2 211 ? 12.878 -17.855 9.763 1.00 67.29 ? 207 ALA L O 1 ATOM 6664 C CB . ALA B 2 211 ? 10.619 -18.590 11.897 1.00 62.99 ? 207 ALA L CB 1 ATOM 6665 H H . ALA B 2 211 ? 13.189 -19.396 11.779 1.00 79.13 ? 207 ALA L H 1 ATOM 6666 H HA . ALA B 2 211 ? 10.860 -20.113 10.547 1.00 77.55 ? 207 ALA L HA 1 ATOM 6667 H HB1 . ALA B 2 211 ? 9.853 -18.217 11.454 1.00 75.58 ? 207 ALA L HB1 1 ATOM 6668 H HB2 . ALA B 2 211 ? 10.336 -19.173 12.605 1.00 75.58 ? 207 ALA L HB2 1 ATOM 6669 H HB3 . ALA B 2 211 ? 11.168 -17.887 12.250 1.00 75.58 ? 207 ALA L HB3 1 ATOM 6670 N N . PRO B 2 212 ? 11.015 -18.493 8.657 1.00 69.06 ? 208 PRO L N 1 ATOM 6671 C CA . PRO B 2 212 ? 11.247 -17.590 7.524 1.00 72.04 ? 208 PRO L CA 1 ATOM 6672 C C . PRO B 2 212 ? 11.185 -16.127 7.957 1.00 82.33 ? 208 PRO L C 1 ATOM 6673 O O . PRO B 2 212 ? 10.093 -15.573 8.086 1.00 87.37 ? 208 PRO L O 1 ATOM 6674 C CB . PRO B 2 212 ? 10.091 -17.917 6.571 1.00 71.18 ? 208 PRO L CB 1 ATOM 6675 C CG . PRO B 2 212 ? 9.659 -19.290 6.948 1.00 69.90 ? 208 PRO L CG 1 ATOM 6676 C CD . PRO B 2 212 ? 9.870 -19.390 8.422 1.00 69.17 ? 208 PRO L CD 1 ATOM 6677 H HA . PRO B 2 212 ? 12.106 -17.779 7.091 1.00 86.45 ? 208 PRO L HA 1 ATOM 6678 H HB2 . PRO B 2 212 ? 9.370 -17.282 6.701 1.00 85.42 ? 208 PRO L HB2 1 ATOM 6679 H HB3 . PRO B 2 212 ? 10.407 -17.896 5.654 1.00 85.42 ? 208 PRO L HB3 1 ATOM 6680 H HG2 . PRO B 2 212 ? 8.721 -19.408 6.729 1.00 83.89 ? 208 PRO L HG2 1 ATOM 6681 H HG3 . PRO B 2 212 ? 10.204 -19.943 6.480 1.00 83.89 ? 208 PRO L HG3 1 ATOM 6682 H HD2 . PRO B 2 212 ? 9.087 -19.072 8.898 1.00 83.01 ? 208 PRO L HD2 1 ATOM 6683 H HD3 . PRO B 2 212 ? 10.095 -20.299 8.671 1.00 83.01 ? 208 PRO L HD3 1 ATOM 6684 N N . THR B 2 213 ? 12.342 -15.516 8.188 1.00 88.00 ? 209 THR L N 1 ATOM 6685 C CA . THR B 2 213 ? 12.391 -14.127 8.631 1.00 97.55 ? 209 THR L CA 1 ATOM 6686 C C . THR B 2 213 ? 13.660 -13.433 8.147 1.00 97.99 ? 209 THR L C 1 ATOM 6687 O O . THR B 2 213 ? 14.696 -14.070 7.956 1.00 91.66 ? 209 THR L O 1 ATOM 6688 C CB . THR B 2 213 ? 12.334 -14.025 10.169 1.00 100.75 ? 209 THR L CB 1 ATOM 6689 O OG1 . THR B 2 213 ? 13.527 -14.583 10.736 1.00 98.51 ? 209 THR L OG1 1 ATOM 6690 C CG2 . THR B 2 213 ? 11.116 -14.762 10.718 1.00 101.08 ? 209 THR L CG2 1 ATOM 6691 H H . THR B 2 213 ? 13.114 -15.883 8.095 1.00 105.59 ? 209 THR L H 1 ATOM 6692 H HA . THR B 2 213 ? 11.620 -13.646 8.264 1.00 117.06 ? 209 THR L HA 1 ATOM 6693 H HB . THR B 2 213 ? 12.265 -13.092 10.425 1.00 120.90 ? 209 THR L HB 1 ATOM 6694 H HG1 . THR B 2 213 ? 13.500 -14.531 11.554 1.00 118.21 ? 209 THR L HG1 1 ATOM 6695 H HG21 . THR B 2 213 ? 11.093 -14.690 11.675 1.00 121.30 ? 209 THR L HG21 1 ATOM 6696 H HG22 . THR B 2 213 ? 10.312 -14.380 10.357 1.00 121.30 ? 209 THR L HG22 1 ATOM 6697 H HG23 . THR B 2 213 ? 11.157 -15.690 10.475 1.00 121.30 ? 209 THR L HG23 1 ATOM 6698 N N . GLU B 2 214 ? 13.567 -12.122 7.950 1.00 103.99 ? 210 GLU L N 1 ATOM 6699 C CA . GLU B 2 214 ? 14.709 -11.320 7.529 1.00 102.28 ? 210 GLU L CA 1 ATOM 6700 C C . GLU B 2 214 ? 14.671 -9.959 8.217 1.00 98.96 ? 210 GLU L C 1 ATOM 6701 O O . GLU B 2 214 ? 13.599 -9.418 8.489 1.00 95.46 ? 210 GLU L O 1 ATOM 6702 C CB . GLU B 2 214 ? 14.704 -11.136 6.012 1.00 104.96 ? 210 GLU L CB 1 ATOM 6703 C CG . GLU B 2 214 ? 14.541 -9.694 5.567 1.00 109.03 ? 210 GLU L CG 1 ATOM 6704 C CD . GLU B 2 214 ? 14.410 -9.563 4.063 1.00 109.03 ? 210 GLU L CD 1 ATOM 6705 O OE1 . GLU B 2 214 ? 14.758 -8.491 3.523 1.00 111.30 ? 210 GLU L OE1 1 ATOM 6706 O OE2 . GLU B 2 214 ? 13.954 -10.533 3.419 1.00 106.92 ? 210 GLU L OE2 1 ATOM 6707 H H . GLU B 2 214 ? 12.844 -11.668 8.055 1.00 124.79 ? 210 GLU L H 1 ATOM 6708 H HA . GLU B 2 214 ? 15.539 -11.774 7.785 1.00 122.73 ? 210 GLU L HA 1 ATOM 6709 H HB2 . GLU B 2 214 ? 15.545 -11.463 5.655 1.00 125.96 ? 210 GLU L HB2 1 ATOM 6710 H HB3 . GLU B 2 214 ? 13.969 -11.646 5.638 1.00 125.96 ? 210 GLU L HB3 1 ATOM 6711 H HG2 . GLU B 2 214 ? 13.741 -9.325 5.972 1.00 130.83 ? 210 GLU L HG2 1 ATOM 6712 H HG3 . GLU B 2 214 ? 15.319 -9.186 5.846 1.00 130.83 ? 210 GLU L HG3 1 ATOM 6713 N N . THR C 3 2 ? 27.595 -125.381 20.281 1.00 161.68 ? 119 THR C N 1 ATOM 6714 C CA . THR C 3 2 ? 26.223 -124.891 20.227 1.00 153.08 ? 119 THR C CA 1 ATOM 6715 C C . THR C 3 2 ? 26.142 -123.657 19.330 1.00 150.09 ? 119 THR C C 1 ATOM 6716 O O . THR C 3 2 ? 26.976 -122.758 19.426 1.00 146.65 ? 119 THR C O 1 ATOM 6717 C CB . THR C 3 2 ? 25.700 -124.541 21.630 1.00 143.81 ? 119 THR C CB 1 ATOM 6718 O OG1 . THR C 3 2 ? 26.156 -125.518 22.574 1.00 145.08 ? 119 THR C OG1 1 ATOM 6719 C CG2 . THR C 3 2 ? 24.185 -124.508 21.634 1.00 136.70 ? 119 THR C CG2 1 ATOM 6720 H HA . THR C 3 2 ? 25.646 -125.586 19.847 1.00 183.69 ? 119 THR C HA 1 ATOM 6721 H HB . THR C 3 2 ? 26.027 -123.665 21.887 1.00 172.57 ? 119 THR C HB 1 ATOM 6722 H HG1 . THR C 3 2 ? 26.976 -125.532 22.590 1.00 174.09 ? 119 THR C HG1 1 ATOM 6723 H HG21 . THR C 3 2 ? 23.865 -124.289 22.513 1.00 164.05 ? 119 THR C HG21 1 ATOM 6724 H HG22 . THR C 3 2 ? 23.870 -123.848 21.013 1.00 164.05 ? 119 THR C HG22 1 ATOM 6725 H HG23 . THR C 3 2 ? 23.838 -125.366 21.381 1.00 164.05 ? 119 THR C HG23 1 ATOM 6726 N N . THR C 3 3 ? 25.130 -123.616 18.467 1.00 150.19 ? 120 THR C N 1 ATOM 6727 C CA . THR C 3 3 ? 25.033 -122.574 17.446 1.00 145.83 ? 120 THR C CA 1 ATOM 6728 C C . THR C 3 3 ? 23.989 -121.509 17.785 1.00 142.14 ? 120 THR C C 1 ATOM 6729 O O . THR C 3 3 ? 22.838 -121.826 18.086 1.00 144.76 ? 120 THR C O 1 ATOM 6730 C CB . THR C 3 3 ? 24.699 -123.176 16.064 1.00 142.58 ? 120 THR C CB 1 ATOM 6731 O OG1 . THR C 3 3 ? 24.741 -122.146 15.069 1.00 143.57 ? 120 THR C OG1 1 ATOM 6732 C CG2 . THR C 3 3 ? 23.318 -123.828 16.065 1.00 136.24 ? 120 THR C CG2 1 ATOM 6733 H H . THR C 3 3 ? 24.484 -124.183 18.450 1.00 180.23 ? 120 THR C H 1 ATOM 6734 H HA . THR C 3 3 ? 25.901 -122.126 17.373 1.00 175.00 ? 120 THR C HA 1 ATOM 6735 H HB . THR C 3 3 ? 25.354 -123.857 15.847 1.00 171.10 ? 120 THR C HB 1 ATOM 6736 H HG1 . THR C 3 3 ? 24.564 -122.461 14.333 1.00 172.28 ? 120 THR C HG1 1 ATOM 6737 H HG21 . THR C 3 3 ? 23.129 -124.196 15.199 1.00 163.49 ? 120 THR C HG21 1 ATOM 6738 H HG22 . THR C 3 3 ? 23.288 -124.532 16.717 1.00 163.49 ? 120 THR C HG22 1 ATOM 6739 H HG23 . THR C 3 3 ? 22.648 -123.175 16.281 1.00 163.49 ? 120 THR C HG23 1 ATOM 6740 N N . PHE C 3 4 ? 24.402 -120.244 17.725 1.00 133.77 ? 121 PHE C N 1 ATOM 6741 C CA . PHE C 3 4 ? 23.511 -119.123 18.012 1.00 125.72 ? 121 PHE C CA 1 ATOM 6742 C C . PHE C 3 4 ? 23.320 -118.256 16.770 1.00 116.85 ? 121 PHE C C 1 ATOM 6743 O O . PHE C 3 4 ? 23.973 -118.468 15.749 1.00 115.88 ? 121 PHE C O 1 ATOM 6744 C CB . PHE C 3 4 ? 24.066 -118.282 19.163 1.00 128.27 ? 121 PHE C CB 1 ATOM 6745 C CG . PHE C 3 4 ? 24.381 -119.077 20.400 1.00 135.94 ? 121 PHE C CG 1 ATOM 6746 C CD1 . PHE C 3 4 ? 23.808 -120.319 20.611 1.00 138.58 ? 121 PHE C CD1 1 ATOM 6747 C CD2 . PHE C 3 4 ? 25.253 -118.583 21.349 1.00 139.25 ? 121 PHE C CD2 1 ATOM 6748 C CE1 . PHE C 3 4 ? 24.099 -121.050 21.746 1.00 140.35 ? 121 PHE C CE1 1 ATOM 6749 C CE2 . PHE C 3 4 ? 25.545 -119.313 22.482 1.00 141.30 ? 121 PHE C CE2 1 ATOM 6750 C CZ . PHE C 3 4 ? 24.969 -120.546 22.681 1.00 141.33 ? 121 PHE C CZ 1 ATOM 6751 H H . PHE C 3 4 ? 25.202 -120.007 17.518 1.00 160.52 ? 121 PHE C H 1 ATOM 6752 H HA . PHE C 3 4 ? 22.634 -119.469 18.281 1.00 150.86 ? 121 PHE C HA 1 ATOM 6753 H HB2 . PHE C 3 4 ? 24.886 -117.853 18.870 1.00 153.93 ? 121 PHE C HB2 1 ATOM 6754 H HB3 . PHE C 3 4 ? 23.411 -117.608 19.402 1.00 153.93 ? 121 PHE C HB3 1 ATOM 6755 H HD1 . PHE C 3 4 ? 23.219 -120.666 19.981 1.00 166.30 ? 121 PHE C HD1 1 ATOM 6756 H HD2 . PHE C 3 4 ? 25.648 -117.751 21.223 1.00 167.10 ? 121 PHE C HD2 1 ATOM 6757 H HE1 . PHE C 3 4 ? 23.707 -121.883 21.876 1.00 168.42 ? 121 PHE C HE1 1 ATOM 6758 H HE2 . PHE C 3 4 ? 26.134 -118.970 23.115 1.00 169.56 ? 121 PHE C HE2 1 ATOM 6759 H HZ . PHE C 3 4 ? 25.167 -121.035 23.447 1.00 169.59 ? 121 PHE C HZ 1 ATOM 6760 N N . LYS C 3 5 ? 22.428 -117.273 16.867 1.00 111.59 ? 122 LYS C N 1 ATOM 6761 C CA . LYS C 3 5 ? 22.056 -116.452 15.718 1.00 107.75 ? 122 LYS C CA 1 ATOM 6762 C C . LYS C 3 5 ? 22.469 -114.992 15.887 1.00 99.50 ? 122 LYS C C 1 ATOM 6763 O O . LYS C 3 5 ? 22.557 -114.487 17.005 1.00 99.16 ? 122 LYS C O 1 ATOM 6764 C CB . LYS C 3 5 ? 20.543 -116.522 15.497 1.00 114.70 ? 122 LYS C CB 1 ATOM 6765 C CG . LYS C 3 5 ? 20.130 -117.097 14.154 1.00 123.23 ? 122 LYS C CG 1 ATOM 6766 C CD . LYS C 3 5 ? 18.703 -116.706 13.809 1.00 129.93 ? 122 LYS C CD 1 ATOM 6767 C CE . LYS C 3 5 ? 18.283 -117.258 12.459 1.00 134.53 ? 122 LYS C CE 1 ATOM 6768 N NZ . LYS C 3 5 ? 17.098 -116.539 11.912 1.00 134.52 ? 122 LYS C NZ 1 ATOM 6769 H H . LYS C 3 5 ? 22.021 -117.060 17.594 1.00 133.90 ? 122 LYS C H 1 ATOM 6770 H HA . LYS C 3 5 ? 22.498 -116.803 14.916 1.00 129.30 ? 122 LYS C HA 1 ATOM 6771 H HB2 . LYS C 3 5 ? 20.154 -117.080 16.189 1.00 137.63 ? 122 LYS C HB2 1 ATOM 6772 H HB3 . LYS C 3 5 ? 20.179 -115.625 15.558 1.00 137.63 ? 122 LYS C HB3 1 ATOM 6773 H HG2 . LYS C 3 5 ? 20.716 -116.753 13.462 1.00 147.87 ? 122 LYS C HG2 1 ATOM 6774 H HG3 . LYS C 3 5 ? 20.181 -118.065 14.189 1.00 147.87 ? 122 LYS C HG3 1 ATOM 6775 H HD2 . LYS C 3 5 ? 18.102 -117.062 14.483 1.00 155.92 ? 122 LYS C HD2 1 ATOM 6776 H HD3 . LYS C 3 5 ? 18.635 -115.739 13.776 1.00 155.92 ? 122 LYS C HD3 1 ATOM 6777 H HE2 . LYS C 3 5 ? 19.015 -117.158 11.831 1.00 161.44 ? 122 LYS C HE2 1 ATOM 6778 H HE3 . LYS C 3 5 ? 18.050 -118.195 12.556 1.00 161.44 ? 122 LYS C HE3 1 ATOM 6779 H HZ1 . LYS C 3 5 ? 16.873 -116.881 11.122 1.00 161.42 ? 122 LYS C HZ1 1 ATOM 6780 H HZ2 . LYS C 3 5 ? 16.409 -116.620 12.469 1.00 161.42 ? 122 LYS C HZ2 1 ATOM 6781 H HZ3 . LYS C 3 5 ? 17.288 -115.675 11.810 1.00 161.42 ? 122 LYS C HZ3 1 ATOM 6782 N N . LEU C 3 6 ? 22.716 -114.319 14.767 1.00 94.94 ? 123 LEU C N 1 ATOM 6783 C CA . LEU C 3 6 ? 23.020 -112.891 14.775 1.00 92.55 ? 123 LEU C CA 1 ATOM 6784 C C . LEU C 3 6 ? 22.289 -112.165 13.649 1.00 89.11 ? 123 LEU C C 1 ATOM 6785 O O . LEU C 3 6 ? 22.545 -112.410 12.470 1.00 87.17 ? 123 LEU C O 1 ATOM 6786 C CB . LEU C 3 6 ? 24.524 -112.649 14.643 1.00 92.41 ? 123 LEU C CB 1 ATOM 6787 C CG . LEU C 3 6 ? 24.896 -111.200 14.307 1.00 87.75 ? 123 LEU C CG 1 ATOM 6788 C CD1 . LEU C 3 6 ? 24.303 -110.235 15.324 1.00 86.52 ? 123 LEU C CD1 1 ATOM 6789 C CD2 . LEU C 3 6 ? 26.402 -111.025 14.231 1.00 86.44 ? 123 LEU C CD2 1 ATOM 6790 H H . LEU C 3 6 ? 22.714 -114.670 13.982 1.00 113.93 ? 123 LEU C H 1 ATOM 6791 H HA . LEU C 3 6 ? 22.724 -112.506 15.626 1.00 111.06 ? 123 LEU C HA 1 ATOM 6792 H HB2 . LEU C 3 6 ? 24.952 -112.877 15.483 1.00 110.89 ? 123 LEU C HB2 1 ATOM 6793 H HB3 . LEU C 3 6 ? 24.870 -113.215 13.934 1.00 110.89 ? 123 LEU C HB3 1 ATOM 6794 H HG . LEU C 3 6 ? 24.529 -110.977 13.438 1.00 105.30 ? 123 LEU C HG 1 ATOM 6795 H HD11 . LEU C 3 6 ? 24.553 -109.339 15.087 1.00 103.82 ? 123 LEU C HD11 1 ATOM 6796 H HD12 . LEU C 3 6 ? 23.347 -110.322 15.315 1.00 103.82 ? 123 LEU C HD12 1 ATOM 6797 H HD13 . LEU C 3 6 ? 24.644 -110.451 16.195 1.00 103.82 ? 123 LEU C HD13 1 ATOM 6798 H HD21 . LEU C 3 6 ? 26.599 -110.110 14.020 1.00 103.72 ? 123 LEU C HD21 1 ATOM 6799 H HD22 . LEU C 3 6 ? 26.786 -111.256 15.080 1.00 103.72 ? 123 LEU C HD22 1 ATOM 6800 H HD23 . LEU C 3 6 ? 26.749 -111.602 13.547 1.00 103.72 ? 123 LEU C HD23 1 ATOM 6801 N N . ALA C 3 7 ? 21.382 -111.269 14.023 1.00 87.21 ? 124 ALA C N 1 ATOM 6802 C CA . ALA C 3 7 ? 20.653 -110.458 13.057 1.00 85.42 ? 124 ALA C CA 1 ATOM 6803 C C . ALA C 3 7 ? 21.273 -109.070 12.949 1.00 87.68 ? 124 ALA C C 1 ATOM 6804 O O . ALA C 3 7 ? 21.211 -108.281 13.891 1.00 87.86 ? 124 ALA C O 1 ATOM 6805 C CB . ALA C 3 7 ? 19.195 -110.345 13.463 1.00 79.22 ? 124 ALA C CB 1 ATOM 6806 H H . ALA C 3 7 ? 21.168 -111.112 14.841 1.00 104.65 ? 124 ALA C H 1 ATOM 6807 H HA . ALA C 3 7 ? 20.696 -110.884 12.176 1.00 102.50 ? 124 ALA C HA 1 ATOM 6808 H HB1 . ALA C 3 7 ? 18.731 -109.808 12.816 1.00 95.07 ? 124 ALA C HB1 1 ATOM 6809 H HB2 . ALA C 3 7 ? 18.811 -111.224 13.495 1.00 95.07 ? 124 ALA C HB2 1 ATOM 6810 H HB3 . ALA C 3 7 ? 19.143 -109.933 14.329 1.00 95.07 ? 124 ALA C HB3 1 ATOM 6811 N N . ALA C 3 8 ? 21.873 -108.778 11.799 1.00 89.91 ? 125 ALA C N 1 ATOM 6812 C CA . ALA C 3 8 ? 22.448 -107.462 11.547 1.00 82.54 ? 125 ALA C CA 1 ATOM 6813 C C . ALA C 3 8 ? 21.478 -106.623 10.729 1.00 79.47 ? 125 ALA C C 1 ATOM 6814 O O . ALA C 3 8 ? 21.118 -106.990 9.612 1.00 74.59 ? 125 ALA C O 1 ATOM 6815 C CB . ALA C 3 8 ? 23.778 -107.592 10.828 1.00 80.34 ? 125 ALA C CB 1 ATOM 6816 H H . ALA C 3 8 ? 21.960 -109.329 11.144 1.00 107.89 ? 125 ALA C H 1 ATOM 6817 H HA . ALA C 3 8 ? 22.603 -107.007 12.401 1.00 99.04 ? 125 ALA C HA 1 ATOM 6818 H HB1 . ALA C 3 8 ? 24.136 -106.714 10.673 1.00 96.40 ? 125 ALA C HB1 1 ATOM 6819 H HB2 . ALA C 3 8 ? 24.381 -108.100 11.376 1.00 96.40 ? 125 ALA C HB2 1 ATOM 6820 H HB3 . ALA C 3 8 ? 23.638 -108.041 9.991 1.00 96.40 ? 125 ALA C HB3 1 ATOM 6821 N N . CYS C 3 9 ? 21.062 -105.492 11.288 1.00 81.41 ? 126 CYS C N 1 ATOM 6822 C CA . CYS C 3 9 ? 20.012 -104.689 10.675 1.00 84.25 ? 126 CYS C CA 1 ATOM 6823 C C . CYS C 3 9 ? 20.433 -103.243 10.430 1.00 83.61 ? 126 CYS C C 1 ATOM 6824 O O . CYS C 3 9 ? 21.312 -102.712 11.109 1.00 81.47 ? 126 CYS C O 1 ATOM 6825 C CB . CYS C 3 9 ? 18.760 -104.724 11.552 1.00 86.39 ? 126 CYS C CB 1 ATOM 6826 S SG . CYS C 3 9 ? 18.156 -106.393 11.891 1.00 105.17 ? 126 CYS C SG 1 ATOM 6827 H H . CYS C 3 9 ? 21.372 -105.167 12.022 1.00 97.70 ? 126 CYS C H 1 ATOM 6828 H HA . CYS C 3 9 ? 19.781 -105.083 9.808 1.00 101.10 ? 126 CYS C HA 1 ATOM 6829 H HB2 . CYS C 3 9 ? 18.961 -104.303 12.402 1.00 103.67 ? 126 CYS C HB2 1 ATOM 6830 H HB3 . CYS C 3 9 ? 18.051 -104.237 11.103 1.00 103.67 ? 126 CYS C HB3 1 ATOM 6831 N N . VAL C 3 10 ? 19.792 -102.618 9.445 1.00 84.96 ? 127 VAL C N 1 ATOM 6832 C CA . VAL C 3 10 ? 20.031 -101.218 9.118 1.00 81.94 ? 127 VAL C CA 1 ATOM 6833 C C . VAL C 3 10 ? 18.689 -100.510 8.956 1.00 76.40 ? 127 VAL C C 1 ATOM 6834 O O . VAL C 3 10 ? 17.669 -101.153 8.704 1.00 70.93 ? 127 VAL C O 1 ATOM 6835 C CB . VAL C 3 10 ? 20.847 -101.079 7.818 1.00 83.16 ? 127 VAL C CB 1 ATOM 6836 C CG1 . VAL C 3 10 ? 19.985 -101.412 6.606 1.00 82.75 ? 127 VAL C CG1 1 ATOM 6837 C CG2 . VAL C 3 10 ? 21.429 -99.679 7.694 1.00 82.63 ? 127 VAL C CG2 1 ATOM 6838 H H . VAL C 3 10 ? 19.203 -102.993 8.943 1.00 101.96 ? 127 VAL C H 1 ATOM 6839 H HA . VAL C 3 10 ? 20.526 -100.789 9.847 1.00 98.33 ? 127 VAL C HA 1 ATOM 6840 H HB . VAL C 3 10 ? 21.592 -101.715 7.841 1.00 99.79 ? 127 VAL C HB 1 ATOM 6841 H HG11 . VAL C 3 10 ? 20.515 -101.318 5.811 1.00 99.31 ? 127 VAL C HG11 1 ATOM 6842 H HG12 . VAL C 3 10 ? 19.670 -102.315 6.686 1.00 99.31 ? 127 VAL C HG12 1 ATOM 6843 H HG13 . VAL C 3 10 ? 19.240 -100.807 6.577 1.00 99.31 ? 127 VAL C HG13 1 ATOM 6844 H HG21 . VAL C 3 10 ? 21.931 -99.621 6.878 1.00 99.16 ? 127 VAL C HG21 1 ATOM 6845 H HG22 . VAL C 3 10 ? 20.711 -99.042 7.684 1.00 99.16 ? 127 VAL C HG22 1 ATOM 6846 H HG23 . VAL C 3 10 ? 22.004 -99.513 8.445 1.00 99.16 ? 127 VAL C HG23 1 ATOM 6847 N N . THR C 3 11 ? 18.691 -99.188 9.101 1.00 78.90 ? 128 THR C N 1 ATOM 6848 C CA . THR C 3 11 ? 17.458 -98.410 9.041 1.00 77.68 ? 128 THR C CA 1 ATOM 6849 C C . THR C 3 11 ? 17.082 -98.012 7.614 1.00 68.78 ? 128 THR C C 1 ATOM 6850 O O . THR C 3 11 ? 17.950 -97.766 6.778 1.00 65.47 ? 128 THR C O 1 ATOM 6851 C CB . THR C 3 11 ? 17.563 -97.152 9.920 1.00 82.03 ? 128 THR C CB 1 ATOM 6852 O OG1 . THR C 3 11 ? 18.084 -97.513 11.206 1.00 83.41 ? 128 THR C OG1 1 ATOM 6853 C CG2 . THR C 3 11 ? 16.200 -96.501 10.089 1.00 85.39 ? 128 THR C CG2 1 ATOM 6854 H H . THR C 3 11 ? 19.397 -98.716 9.236 1.00 94.69 ? 128 THR C H 1 ATOM 6855 H HA . THR C 3 11 ? 16.727 -98.958 9.397 1.00 93.21 ? 128 THR C HA 1 ATOM 6856 H HB . THR C 3 11 ? 18.159 -96.513 9.498 1.00 98.44 ? 128 THR C HB 1 ATOM 6857 H HG1 . THR C 3 11 ? 18.143 -96.848 11.681 1.00 100.09 ? 128 THR C HG1 1 ATOM 6858 H HG21 . THR C 3 11 ? 16.277 -95.717 10.638 1.00 102.46 ? 128 THR C HG21 1 ATOM 6859 H HG22 . THR C 3 11 ? 15.848 -96.248 9.232 1.00 102.46 ? 128 THR C HG22 1 ATOM 6860 H HG23 . THR C 3 11 ? 15.592 -97.116 10.507 1.00 102.46 ? 128 THR C HG23 1 ATOM 6861 N N . LEU C 3 12 ? 15.779 -97.958 7.347 1.00 66.65 ? 129 LEU C N 1 ATOM 6862 C CA . LEU C 3 12 ? 15.270 -97.609 6.023 1.00 69.12 ? 129 LEU C CA 1 ATOM 6863 C C . LEU C 3 12 ? 14.037 -96.712 6.104 1.00 76.83 ? 129 LEU C C 1 ATOM 6864 O O . LEU C 3 12 ? 13.274 -96.771 7.068 1.00 80.65 ? 129 LEU C O 1 ATOM 6865 C CB . LEU C 3 12 ? 14.919 -98.876 5.242 1.00 69.01 ? 129 LEU C CB 1 ATOM 6866 C CG . LEU C 3 12 ? 16.055 -99.532 4.458 1.00 67.37 ? 129 LEU C CG 1 ATOM 6867 C CD1 . LEU C 3 12 ? 15.658 -100.933 4.035 1.00 69.48 ? 129 LEU C CD1 1 ATOM 6868 C CD2 . LEU C 3 12 ? 16.408 -98.692 3.244 1.00 63.52 ? 129 LEU C CD2 1 ATOM 6869 H H . LEU C 3 12 ? 15.162 -98.121 7.923 1.00 79.99 ? 129 LEU C H 1 ATOM 6870 H HA . LEU C 3 12 ? 15.965 -97.127 5.528 1.00 82.95 ? 129 LEU C HA 1 ATOM 6871 H HB2 . LEU C 3 12 ? 14.585 -99.536 5.869 1.00 82.82 ? 129 LEU C HB2 1 ATOM 6872 H HB3 . LEU C 3 12 ? 14.221 -98.657 4.605 1.00 82.82 ? 129 LEU C HB3 1 ATOM 6873 H HG . LEU C 3 12 ? 16.841 -99.596 5.024 1.00 80.84 ? 129 LEU C HG 1 ATOM 6874 H HD11 . LEU C 3 12 ? 16.383 -101.328 3.545 1.00 83.38 ? 129 LEU C HD11 1 ATOM 6875 H HD12 . LEU C 3 12 ? 15.470 -101.454 4.819 1.00 83.38 ? 129 LEU C HD12 1 ATOM 6876 H HD13 . LEU C 3 12 ? 14.876 -100.881 3.480 1.00 83.38 ? 129 LEU C HD13 1 ATOM 6877 H HD21 . LEU C 3 12 ? 17.122 -99.120 2.765 1.00 76.22 ? 129 LEU C HD21 1 ATOM 6878 H HD22 . LEU C 3 12 ? 15.635 -98.618 2.680 1.00 76.22 ? 129 LEU C HD22 1 ATOM 6879 H HD23 . LEU C 3 12 ? 16.686 -97.821 3.537 1.00 76.22 ? 129 LEU C HD23 1 ATOM 6880 N N . ALA C 3 13 ? 13.852 -95.885 5.080 1.00 80.54 ? 130 ALA C N 1 ATOM 6881 C CA . ALA C 3 13 ? 12.680 -95.022 4.976 1.00 83.10 ? 130 ALA C CA 1 ATOM 6882 C C . ALA C 3 13 ? 12.129 -95.103 3.558 1.00 84.66 ? 130 ALA C C 1 ATOM 6883 O O . ALA C 3 13 ? 12.878 -94.968 2.594 1.00 81.69 ? 130 ALA C O 1 ATOM 6884 C CB . ALA C 3 13 ? 13.044 -93.591 5.324 1.00 81.72 ? 130 ALA C CB 1 ATOM 6885 H H . ALA C 3 13 ? 14.399 -95.804 4.421 1.00 96.65 ? 130 ALA C H 1 ATOM 6886 H HA . ALA C 3 13 ? 11.988 -95.330 5.599 1.00 99.72 ? 130 ALA C HA 1 ATOM 6887 H HB1 . ALA C 3 13 ? 12.259 -93.042 5.249 1.00 98.06 ? 130 ALA C HB1 1 ATOM 6888 H HB2 . ALA C 3 13 ? 13.378 -93.563 6.223 1.00 98.06 ? 130 ALA C HB2 1 ATOM 6889 H HB3 . ALA C 3 13 ? 13.718 -93.283 4.714 1.00 98.06 ? 130 ALA C HB3 1 ATOM 6890 N N . CYS C 3 14 ? 10.823 -95.322 3.433 1.00 90.39 ? 131 CYS C N 1 ATOM 6891 C CA . CYS C 3 14 ? 10.211 -95.536 2.124 1.00 95.48 ? 131 CYS C CA 1 ATOM 6892 C C . CYS C 3 14 ? 8.933 -94.712 1.947 1.00 95.52 ? 131 CYS C C 1 ATOM 6893 O O . CYS C 3 14 ? 8.729 -93.719 2.644 1.00 99.20 ? 131 CYS C O 1 ATOM 6894 C CB . CYS C 3 14 ? 9.925 -97.026 1.923 1.00 100.84 ? 131 CYS C CB 1 ATOM 6895 S SG . CYS C 3 14 ? 11.373 -98.087 2.149 1.00 101.30 ? 131 CYS C SG 1 ATOM 6896 H H . CYS C 3 14 ? 10.269 -95.352 4.090 1.00 108.47 ? 131 CYS C H 1 ATOM 6897 H HA . CYS C 3 14 ? 10.845 -95.257 1.431 1.00 114.58 ? 131 CYS C HA 1 ATOM 6898 H HB2 . CYS C 3 14 ? 9.251 -97.304 2.562 1.00 121.00 ? 131 CYS C HB2 1 ATOM 6899 H HB3 . CYS C 3 14 ? 9.597 -97.162 1.020 1.00 121.00 ? 131 CYS C HB3 1 ATOM 6900 N N . THR C 3 15 ? 8.086 -95.121 1.004 1.00 90.24 ? 132 THR C N 1 ATOM 6901 C CA . THR C 3 15 ? 6.836 -94.419 0.727 1.00 84.87 ? 132 THR C CA 1 ATOM 6902 C C . THR C 3 15 ? 5.719 -95.396 0.388 1.00 83.65 ? 132 THR C C 1 ATOM 6903 O O . THR C 3 15 ? 5.529 -95.756 -0.774 1.00 82.21 ? 132 THR C O 1 ATOM 6904 C CB . THR C 3 15 ? 6.993 -93.442 -0.447 1.00 81.44 ? 132 THR C CB 1 ATOM 6905 O OG1 . THR C 3 15 ? 7.541 -94.134 -1.577 1.00 82.09 ? 132 THR C OG1 1 ATOM 6906 C CG2 . THR C 3 15 ? 7.911 -92.296 -0.063 1.00 77.18 ? 132 THR C CG2 1 ATOM 6907 H H . THR C 3 15 ? 8.215 -95.811 0.506 1.00 108.29 ? 132 THR C H 1 ATOM 6908 H HA . THR C 3 15 ? 6.568 -93.909 1.520 1.00 101.84 ? 132 THR C HA 1 ATOM 6909 H HB . THR C 3 15 ? 6.126 -93.075 -0.681 1.00 97.73 ? 132 THR C HB 1 ATOM 6910 H HG1 . THR C 3 15 ? 7.042 -94.745 -1.800 1.00 98.51 ? 132 THR C HG1 1 ATOM 6911 H HG21 . THR C 3 15 ? 8.005 -91.689 -0.801 1.00 92.61 ? 132 THR C HG21 1 ATOM 6912 H HG22 . THR C 3 15 ? 7.546 -91.820 0.687 1.00 92.61 ? 132 THR C HG22 1 ATOM 6913 H HG23 . THR C 3 15 ? 8.778 -92.635 0.174 1.00 92.61 ? 132 THR C HG23 1 ATOM 6914 N N . ARG C 3 26 ? 4.298 -101.712 -9.545 1.00 108.13 ? 153 ARG C N 1 ATOM 6915 C CA . ARG C 3 26 ? 4.410 -100.824 -8.395 1.00 110.45 ? 153 ARG C CA 1 ATOM 6916 C C . ARG C 3 26 ? 5.832 -100.296 -8.256 1.00 107.88 ? 153 ARG C C 1 ATOM 6917 O O . ARG C 3 26 ? 6.769 -100.863 -8.816 1.00 107.58 ? 153 ARG C O 1 ATOM 6918 C CB . ARG C 3 26 ? 4.003 -101.556 -7.114 1.00 116.97 ? 153 ARG C CB 1 ATOM 6919 C CG . ARG C 3 26 ? 2.525 -101.895 -7.032 1.00 126.59 ? 153 ARG C CG 1 ATOM 6920 C CD . ARG C 3 26 ? 1.670 -100.638 -7.017 1.00 135.98 ? 153 ARG C CD 1 ATOM 6921 N NE . ARG C 3 26 ? 0.242 -100.936 -7.062 1.00 149.01 ? 153 ARG C NE 1 ATOM 6922 C CZ . ARG C 3 26 ? -0.710 -100.016 -7.177 1.00 158.51 ? 153 ARG C CZ 1 ATOM 6923 N NH1 . ARG C 3 26 ? -0.393 -98.731 -7.262 1.00 159.16 ? 153 ARG C NH1 1 ATOM 6924 N NH2 . ARG C 3 26 ? -1.984 -100.380 -7.211 1.00 164.54 ? 153 ARG C NH2 1 ATOM 6925 H HA . ARG C 3 26 ? 3.809 -100.059 -8.516 1.00 132.54 ? 153 ARG C HA 1 ATOM 6926 H HB2 . ARG C 3 26 ? 4.500 -102.387 -7.059 1.00 140.37 ? 153 ARG C HB2 1 ATOM 6927 H HB3 . ARG C 3 26 ? 4.220 -100.995 -6.352 1.00 140.37 ? 153 ARG C HB3 1 ATOM 6928 H HG2 . ARG C 3 26 ? 2.274 -102.424 -7.805 1.00 151.91 ? 153 ARG C HG2 1 ATOM 6929 H HG3 . ARG C 3 26 ? 2.354 -102.389 -6.215 1.00 151.91 ? 153 ARG C HG3 1 ATOM 6930 H HD2 . ARG C 3 26 ? 1.849 -100.142 -6.202 1.00 163.17 ? 153 ARG C HD2 1 ATOM 6931 H HD3 . ARG C 3 26 ? 1.889 -100.096 -7.791 1.00 163.17 ? 153 ARG C HD3 1 ATOM 6932 H HE . ARG C 3 26 ? 0.001 -101.760 -7.010 1.00 178.81 ? 153 ARG C HE 1 ATOM 6933 H HH11 . ARG C 3 26 ? 0.433 -98.490 -7.241 1.00 190.99 ? 153 ARG C HH11 1 ATOM 6934 H HH12 . ARG C 3 26 ? -1.012 -98.139 -7.336 1.00 190.99 ? 153 ARG C HH12 1 ATOM 6935 H HH21 . ARG C 3 26 ? -2.195 -101.212 -7.157 1.00 197.45 ? 153 ARG C HH21 1 ATOM 6936 H HH22 . ARG C 3 26 ? -2.600 -99.785 -7.286 1.00 197.45 ? 153 ARG C HH22 1 ATOM 6937 N N . VAL C 3 27 ? 5.983 -99.211 -7.503 1.00 105.08 ? 154 VAL C N 1 ATOM 6938 C CA . VAL C 3 27 ? 7.291 -98.611 -7.277 1.00 98.28 ? 154 VAL C CA 1 ATOM 6939 C C . VAL C 3 27 ? 7.383 -98.022 -5.874 1.00 105.21 ? 154 VAL C C 1 ATOM 6940 O O . VAL C 3 27 ? 6.523 -97.247 -5.455 1.00 104.49 ? 154 VAL C O 1 ATOM 6941 C CB . VAL C 3 27 ? 7.588 -97.496 -8.301 1.00 82.98 ? 154 VAL C CB 1 ATOM 6942 C CG1 . VAL C 3 27 ? 8.863 -96.756 -7.929 1.00 81.12 ? 154 VAL C CG1 1 ATOM 6943 C CG2 . VAL C 3 27 ? 7.700 -98.073 -9.700 1.00 74.39 ? 154 VAL C CG2 1 ATOM 6944 H H . VAL C 3 27 ? 5.338 -98.801 -7.110 1.00 126.10 ? 154 VAL C H 1 ATOM 6945 H HA . VAL C 3 27 ? 7.982 -99.300 -7.366 1.00 117.93 ? 154 VAL C HA 1 ATOM 6946 H HB . VAL C 3 27 ? 6.849 -96.851 -8.296 1.00 99.57 ? 154 VAL C HB 1 ATOM 6947 H HG11 . VAL C 3 27 ? 9.027 -96.069 -8.579 1.00 97.35 ? 154 VAL C HG11 1 ATOM 6948 H HG12 . VAL C 3 27 ? 8.755 -96.365 -7.059 1.00 97.35 ? 154 VAL C HG12 1 ATOM 6949 H HG13 . VAL C 3 27 ? 9.594 -97.378 -7.919 1.00 97.35 ? 154 VAL C HG13 1 ATOM 6950 H HG21 . VAL C 3 27 ? 7.884 -97.362 -10.317 1.00 89.27 ? 154 VAL C HG21 1 ATOM 6951 H HG22 . VAL C 3 27 ? 8.414 -98.715 -9.716 1.00 89.27 ? 154 VAL C HG22 1 ATOM 6952 H HG23 . VAL C 3 27 ? 6.871 -98.499 -9.929 1.00 89.27 ? 154 VAL C HG23 1 ATOM 6953 N N . LYS C 3 28 ? 8.431 -98.401 -5.151 1.00 112.30 ? 155 LYS C N 1 ATOM 6954 C CA . LYS C 3 28 ? 8.704 -97.830 -3.840 1.00 117.89 ? 155 LYS C CA 1 ATOM 6955 C C . LYS C 3 28 ? 10.069 -97.155 -3.840 1.00 114.04 ? 155 LYS C C 1 ATOM 6956 O O . LYS C 3 28 ? 11.034 -97.690 -4.384 1.00 118.49 ? 155 LYS C O 1 ATOM 6957 C CB . LYS C 3 28 ? 8.663 -98.911 -2.760 1.00 126.33 ? 155 LYS C CB 1 ATOM 6958 C CG . LYS C 3 28 ? 7.279 -99.479 -2.496 1.00 134.81 ? 155 LYS C CG 1 ATOM 6959 C CD . LYS C 3 28 ? 7.312 -100.513 -1.385 1.00 140.84 ? 155 LYS C CD 1 ATOM 6960 C CE . LYS C 3 28 ? 5.938 -101.105 -1.133 1.00 144.62 ? 155 LYS C CE 1 ATOM 6961 N NZ . LYS C 3 28 ? 6.003 -102.231 -0.167 1.00 145.49 ? 155 LYS C NZ 1 ATOM 6962 H H . LYS C 3 28 ? 9.004 -98.992 -5.401 1.00 134.76 ? 155 LYS C H 1 ATOM 6963 H HA . LYS C 3 28 ? 8.025 -97.156 -3.630 1.00 141.47 ? 155 LYS C HA 1 ATOM 6964 H HB2 . LYS C 3 28 ? 9.236 -99.645 -3.032 1.00 151.59 ? 155 LYS C HB2 1 ATOM 6965 H HB3 . LYS C 3 28 ? 8.990 -98.532 -1.929 1.00 151.59 ? 155 LYS C HB3 1 ATOM 6966 H HG2 . LYS C 3 28 ? 6.683 -98.762 -2.228 1.00 161.77 ? 155 LYS C HG2 1 ATOM 6967 H HG3 . LYS C 3 28 ? 6.949 -99.907 -3.301 1.00 161.77 ? 155 LYS C HG3 1 ATOM 6968 H HD2 . LYS C 3 28 ? 7.912 -101.234 -1.636 1.00 169.01 ? 155 LYS C HD2 1 ATOM 6969 H HD3 . LYS C 3 28 ? 7.617 -100.093 -0.566 1.00 169.01 ? 155 LYS C HD3 1 ATOM 6970 H HE2 . LYS C 3 28 ? 5.357 -100.421 -0.765 1.00 173.55 ? 155 LYS C HE2 1 ATOM 6971 H HE3 . LYS C 3 28 ? 5.575 -101.440 -1.968 1.00 173.55 ? 155 LYS C HE3 1 ATOM 6972 H HZ1 . LYS C 3 28 ? 5.188 -102.564 -0.033 1.00 174.59 ? 155 LYS C HZ1 1 ATOM 6973 H HZ2 . LYS C 3 28 ? 6.529 -102.874 -0.485 1.00 174.59 ? 155 LYS C HZ2 1 ATOM 6974 H HZ3 . LYS C 3 28 ? 6.331 -101.947 0.610 1.00 174.59 ? 155 LYS C HZ3 1 ATOM 6975 N N . HIS C 3 29 ? 10.142 -95.976 -3.231 1.00 104.68 ? 156 HIS C N 1 ATOM 6976 C CA . HIS C 3 29 ? 11.395 -95.236 -3.140 1.00 96.43 ? 156 HIS C CA 1 ATOM 6977 C C . HIS C 3 29 ? 11.892 -95.225 -1.702 1.00 86.75 ? 156 HIS C C 1 ATOM 6978 O O . HIS C 3 29 ? 11.112 -95.022 -0.775 1.00 87.12 ? 156 HIS C O 1 ATOM 6979 C CB . HIS C 3 29 ? 11.205 -93.803 -3.634 1.00 100.50 ? 156 HIS C CB 1 ATOM 6980 C CG . HIS C 3 29 ? 10.754 -93.713 -5.058 1.00 109.91 ? 156 HIS C CG 1 ATOM 6981 N ND1 . HIS C 3 29 ? 11.618 -93.847 -6.123 1.00 113.02 ? 156 HIS C ND1 1 ATOM 6982 C CD2 . HIS C 3 29 ? 9.529 -93.498 -5.594 1.00 116.47 ? 156 HIS C CD2 1 ATOM 6983 C CE1 . HIS C 3 29 ? 10.946 -93.722 -7.253 1.00 116.85 ? 156 HIS C CE1 1 ATOM 6984 N NE2 . HIS C 3 29 ? 9.675 -93.509 -6.960 1.00 118.99 ? 156 HIS C NE2 1 ATOM 6985 H H . HIS C 3 29 ? 9.474 -95.580 -2.860 1.00 125.62 ? 156 HIS C H 1 ATOM 6986 H HA . HIS C 3 29 ? 12.072 -95.671 -3.699 1.00 115.71 ? 156 HIS C HA 1 ATOM 6987 H HB2 . HIS C 3 29 ? 10.536 -93.368 -3.083 1.00 120.60 ? 156 HIS C HB2 1 ATOM 6988 H HB3 . HIS C 3 29 ? 12.050 -93.332 -3.560 1.00 120.60 ? 156 HIS C HB3 1 ATOM 6989 H HD2 . HIS C 3 29 ? 8.736 -93.368 -5.125 1.00 139.76 ? 156 HIS C HD2 1 ATOM 6990 H HE1 . HIS C 3 29 ? 11.306 -93.774 -8.109 1.00 140.22 ? 156 HIS C HE1 1 ATOM 6991 H HE2 . HIS C 3 29 ? 9.043 -93.396 -7.531 1.00 142.79 ? 156 HIS C HE2 1 ATOM 6992 N N . CYS C 3 30 ? 13.191 -95.439 -1.521 1.00 77.93 ? 157 CYS C N 1 ATOM 6993 C CA . CYS C 3 30 ? 13.763 -95.539 -0.184 1.00 71.10 ? 157 CYS C CA 1 ATOM 6994 C C . CYS C 3 30 ? 15.163 -94.946 -0.124 1.00 65.41 ? 157 CYS C C 1 ATOM 6995 O O . CYS C 3 30 ? 15.839 -94.819 -1.144 1.00 67.34 ? 157 CYS C O 1 ATOM 6996 C CB . CYS C 3 30 ? 13.808 -97.003 0.262 1.00 72.83 ? 157 CYS C CB 1 ATOM 6997 S SG . CYS C 3 30 ? 12.195 -97.814 0.312 1.00 135.63 ? 157 CYS C SG 1 ATOM 6998 H H . CYS C 3 30 ? 13.763 -95.530 -2.157 1.00 93.51 ? 157 CYS C H 1 ATOM 6999 H HA . CYS C 3 30 ? 13.196 -95.046 0.445 1.00 85.32 ? 157 CYS C HA 1 ATOM 7000 H HB2 . CYS C 3 30 ? 14.369 -97.499 -0.356 1.00 87.40 ? 157 CYS C HB2 1 ATOM 7001 H HB3 . CYS C 3 30 ? 14.187 -97.045 1.154 1.00 87.40 ? 157 CYS C HB3 1 ATOM 7002 N N . SER C 3 31 ? 15.591 -94.581 1.081 1.00 60.65 ? 158 SER C N 1 ATOM 7003 C CA . SER C 3 31 ? 16.944 -94.087 1.291 1.00 59.16 ? 158 SER C CA 1 ATOM 7004 C C . SER C 3 31 ? 17.481 -94.576 2.631 1.00 54.97 ? 158 SER C C 1 ATOM 7005 O O . SER C 3 31 ? 16.714 -94.908 3.535 1.00 54.74 ? 158 SER C O 1 ATOM 7006 C CB . SER C 3 31 ? 16.978 -92.557 1.231 1.00 61.67 ? 158 SER C CB 1 ATOM 7007 O OG . SER C 3 31 ? 16.497 -91.984 2.434 1.00 63.59 ? 158 SER C OG 1 ATOM 7008 H H . SER C 3 31 ? 15.113 -94.610 1.795 1.00 72.78 ? 158 SER C H 1 ATOM 7009 H HA . SER C 3 31 ? 17.526 -94.433 0.583 1.00 70.99 ? 158 SER C HA 1 ATOM 7010 H HB2 . SER C 3 31 ? 17.893 -92.269 1.089 1.00 74.00 ? 158 SER C HB2 1 ATOM 7011 H HB3 . SER C 3 31 ? 16.420 -92.259 0.496 1.00 74.00 ? 158 SER C HB3 1 ATOM 7012 H HG . SER C 3 31 ? 16.523 -91.165 2.384 1.00 76.30 ? 158 SER C HG 1 ATOM 7013 N N . PHE C 3 32 ? 18.803 -94.619 2.750 1.00 53.70 ? 159 PHE C N 1 ATOM 7014 C CA . PHE C 3 32 ? 19.453 -95.114 3.956 1.00 55.06 ? 159 PHE C CA 1 ATOM 7015 C C . PHE C 3 32 ? 20.916 -94.694 3.981 1.00 54.06 ? 159 PHE C C 1 ATOM 7016 O O . PHE C 3 32 ? 21.459 -94.231 2.977 1.00 54.98 ? 159 PHE C O 1 ATOM 7017 C CB . PHE C 3 32 ? 19.349 -96.639 4.022 1.00 60.85 ? 159 PHE C CB 1 ATOM 7018 C CG . PHE C 3 32 ? 19.828 -97.324 2.781 1.00 64.67 ? 159 PHE C CG 1 ATOM 7019 C CD1 . PHE C 3 32 ? 21.101 -97.856 2.725 1.00 64.13 ? 159 PHE C CD1 1 ATOM 7020 C CD2 . PHE C 3 32 ? 19.011 -97.425 1.666 1.00 67.11 ? 159 PHE C CD2 1 ATOM 7021 C CE1 . PHE C 3 32 ? 21.552 -98.484 1.585 1.00 62.90 ? 159 PHE C CE1 1 ATOM 7022 C CE2 . PHE C 3 32 ? 19.458 -98.051 0.519 1.00 66.30 ? 159 PHE C CE2 1 ATOM 7023 C CZ . PHE C 3 32 ? 20.732 -98.582 0.479 1.00 63.35 ? 159 PHE C CZ 1 ATOM 7024 H H . PHE C 3 32 ? 19.352 -94.364 2.138 1.00 64.44 ? 159 PHE C H 1 ATOM 7025 H HA . PHE C 3 32 ? 19.008 -94.739 4.745 1.00 66.07 ? 159 PHE C HA 1 ATOM 7026 H HB2 . PHE C 3 32 ? 19.886 -96.958 4.764 1.00 73.03 ? 159 PHE C HB2 1 ATOM 7027 H HB3 . PHE C 3 32 ? 18.421 -96.884 4.157 1.00 73.03 ? 159 PHE C HB3 1 ATOM 7028 H HD1 . PHE C 3 32 ? 21.658 -97.793 3.466 1.00 76.96 ? 159 PHE C HD1 1 ATOM 7029 H HD2 . PHE C 3 32 ? 18.153 -97.068 1.690 1.00 80.53 ? 159 PHE C HD2 1 ATOM 7030 H HE1 . PHE C 3 32 ? 22.410 -98.841 1.559 1.00 75.48 ? 159 PHE C HE1 1 ATOM 7031 H HE2 . PHE C 3 32 ? 18.902 -98.117 -0.224 1.00 79.56 ? 159 PHE C HE2 1 ATOM 7032 H HZ . PHE C 3 32 ? 21.036 -99.006 -0.290 1.00 76.02 ? 159 PHE C HZ 1 ATOM 7033 N N . ASN C 3 33 ? 21.548 -94.862 5.136 1.00 55.59 ? 160 ASN C N 1 ATOM 7034 C CA . ASN C 3 33 ? 22.955 -94.525 5.310 1.00 61.91 ? 160 ASN C CA 1 ATOM 7035 C C . ASN C 3 33 ? 23.814 -95.782 5.286 1.00 69.70 ? 160 ASN C C 1 ATOM 7036 O O . ASN C 3 33 ? 23.419 -96.817 5.821 1.00 71.74 ? 160 ASN C O 1 ATOM 7037 C CB . ASN C 3 33 ? 23.156 -93.766 6.621 1.00 63.76 ? 160 ASN C CB 1 ATOM 7038 C CG . ASN C 3 33 ? 22.289 -92.522 6.713 1.00 62.09 ? 160 ASN C CG 1 ATOM 7039 O OD1 . ASN C 3 33 ? 22.450 -91.585 5.932 1.00 59.81 ? 160 ASN C OD1 1 ATOM 7040 N ND2 . ASN C 3 33 ? 21.369 -92.506 7.673 1.00 63.07 ? 160 ASN C ND2 1 ATOM 7041 H H . ASN C 3 33 ? 21.176 -95.174 5.847 1.00 66.71 ? 160 ASN C H 1 ATOM 7042 H HA . ASN C 3 33 ? 23.241 -93.945 4.573 1.00 74.29 ? 160 ASN C HA 1 ATOM 7043 H HB2 . ASN C 3 33 ? 22.927 -94.348 7.362 1.00 76.51 ? 160 ASN C HB2 1 ATOM 7044 H HB3 . ASN C 3 33 ? 24.084 -93.491 6.689 1.00 76.51 ? 160 ASN C HB3 1 ATOM 7045 H HD21 . ASN C 3 33 ? 21.481 -92.977 8.384 1.00 75.69 ? 160 ASN C HD21 1 ATOM 7046 N N . ILE C 3 34 ? 24.985 -95.686 4.659 1.00 73.25 ? 161 ILE C N 1 ATOM 7047 C CA . ILE C 3 34 ? 25.842 -96.846 4.433 1.00 77.39 ? 161 ILE C CA 1 ATOM 7048 C C . ILE C 3 34 ? 27.313 -96.519 4.646 1.00 74.83 ? 161 ILE C C 1 ATOM 7049 O O . ILE C 3 34 ? 27.737 -95.381 4.459 1.00 69.99 ? 161 ILE C O 1 ATOM 7050 C CB . ILE C 3 34 ? 25.694 -97.351 2.992 1.00 82.23 ? 161 ILE C CB 1 ATOM 7051 C CG1 . ILE C 3 34 ? 26.499 -96.463 2.036 1.00 76.85 ? 161 ILE C CG1 1 ATOM 7052 C CG2 . ILE C 3 34 ? 24.237 -97.372 2.602 1.00 88.29 ? 161 ILE C CG2 1 ATOM 7053 C CD1 . ILE C 3 34 ? 26.178 -96.683 0.571 1.00 73.57 ? 161 ILE C CD1 1 ATOM 7054 H H . ILE C 3 34 ? 25.308 -94.951 4.352 1.00 87.90 ? 161 ILE C H 1 ATOM 7055 H HA . ILE C 3 34 ? 25.588 -97.568 5.046 1.00 92.86 ? 161 ILE C HA 1 ATOM 7056 H HB . ILE C 3 34 ? 26.042 -98.255 2.943 1.00 98.68 ? 161 ILE C HB 1 ATOM 7057 H HG12 . ILE C 3 34 ? 26.314 -95.534 2.243 1.00 92.22 ? 161 ILE C HG12 1 ATOM 7058 H HG13 . ILE C 3 34 ? 27.444 -96.646 2.162 1.00 92.22 ? 161 ILE C HG13 1 ATOM 7059 H HG21 . ILE C 3 34 ? 24.161 -97.689 1.699 1.00 105.95 ? 161 ILE C HG21 1 ATOM 7060 H HG22 . ILE C 3 34 ? 23.763 -97.958 3.196 1.00 105.95 ? 161 ILE C HG22 1 ATOM 7061 H HG23 . ILE C 3 34 ? 23.884 -96.482 2.667 1.00 105.95 ? 161 ILE C HG23 1 ATOM 7062 H HD11 . ILE C 3 34 ? 26.719 -96.094 0.041 1.00 88.28 ? 161 ILE C HD11 1 ATOM 7063 H HD12 . ILE C 3 34 ? 26.367 -97.596 0.344 1.00 88.28 ? 161 ILE C HD12 1 ATOM 7064 H HD13 . ILE C 3 34 ? 25.248 -96.494 0.424 1.00 88.28 ? 161 ILE C HD13 1 ATOM 7065 N N . THR C 3 35 ? 28.088 -97.532 5.024 1.00 80.18 ? 162 THR C N 1 ATOM 7066 C CA . THR C 3 35 ? 29.531 -97.388 5.161 1.00 86.85 ? 162 THR C CA 1 ATOM 7067 C C . THR C 3 35 ? 30.165 -97.228 3.786 1.00 93.98 ? 162 THR C C 1 ATOM 7068 O O . THR C 3 35 ? 29.828 -97.955 2.851 1.00 89.91 ? 162 THR C O 1 ATOM 7069 C CB . THR C 3 35 ? 30.150 -98.609 5.861 1.00 89.08 ? 162 THR C CB 1 ATOM 7070 O OG1 . THR C 3 35 ? 29.714 -98.655 7.225 1.00 92.65 ? 162 THR C OG1 1 ATOM 7071 C CG2 . THR C 3 35 ? 31.671 -98.541 5.818 1.00 87.34 ? 162 THR C CG2 1 ATOM 7072 H H . THR C 3 35 ? 27.797 -98.320 5.208 1.00 96.21 ? 162 THR C H 1 ATOM 7073 H HA . THR C 3 35 ? 29.732 -96.589 5.692 1.00 104.22 ? 162 THR C HA 1 ATOM 7074 H HB . THR C 3 35 ? 29.868 -99.418 5.405 1.00 106.89 ? 162 THR C HB 1 ATOM 7075 H HG1 . THR C 3 35 ? 30.042 -99.304 7.603 1.00 111.17 ? 162 THR C HG1 1 ATOM 7076 H HG21 . THR C 3 35 ? 32.045 -99.308 6.257 1.00 104.81 ? 162 THR C HG21 1 ATOM 7077 H HG22 . THR C 3 35 ? 31.972 -98.525 4.906 1.00 104.81 ? 162 THR C HG22 1 ATOM 7078 H HG23 . THR C 3 35 ? 31.976 -97.747 6.262 1.00 104.81 ? 162 THR C HG23 1 ATOM 7079 N N . THR C 3 36 ? 31.091 -96.282 3.670 1.00 106.32 ? 163 THR C N 1 ATOM 7080 C CA . THR C 3 36 ? 31.692 -95.957 2.383 1.00 116.77 ? 163 THR C CA 1 ATOM 7081 C C . THR C 3 36 ? 33.211 -95.988 2.436 1.00 125.63 ? 163 THR C C 1 ATOM 7082 O O . THR C 3 36 ? 33.855 -94.969 2.197 1.00 130.31 ? 163 THR C O 1 ATOM 7083 C CB . THR C 3 36 ? 31.271 -94.555 1.923 1.00 115.51 ? 163 THR C CB 1 ATOM 7084 O OG1 . THR C 3 36 ? 31.862 -93.566 2.777 1.00 112.34 ? 163 THR C OG1 1 ATOM 7085 C CG2 . THR C 3 36 ? 29.768 -94.412 1.971 1.00 117.51 ? 163 THR C CG2 1 ATOM 7086 H H . THR C 3 36 ? 31.389 -95.811 4.325 1.00 127.59 ? 163 THR C H 1 ATOM 7087 H HA . THR C 3 36 ? 31.393 -96.605 1.712 1.00 140.12 ? 163 THR C HA 1 ATOM 7088 H HB . THR C 3 36 ? 31.565 -94.411 1.010 1.00 138.61 ? 163 THR C HB 1 ATOM 7089 H HG1 . THR C 3 36 ? 32.680 -93.623 2.749 1.00 134.80 ? 163 THR C HG1 1 ATOM 7090 H HG21 . THR C 3 36 ? 29.513 -93.533 1.682 1.00 141.01 ? 163 THR C HG21 1 ATOM 7091 H HG22 . THR C 3 36 ? 29.359 -95.061 1.395 1.00 141.01 ? 163 THR C HG22 1 ATOM 7092 H HG23 . THR C 3 36 ? 29.455 -94.548 2.868 1.00 141.01 ? 163 THR C HG23 1 ATOM 7093 N N . ASP C 3 37 ? 33.763 -97.159 2.748 1.00 126.94 ? 164 ASP C N 1 ATOM 7094 C CA . ASP C 3 37 ? 35.210 -97.396 2.796 1.00 126.54 ? 164 ASP C CA 1 ATOM 7095 C C . ASP C 3 37 ? 35.705 -97.578 4.226 1.00 124.50 ? 164 ASP C C 1 ATOM 7096 O O . ASP C 3 37 ? 36.624 -98.358 4.471 1.00 127.55 ? 164 ASP C O 1 ATOM 7097 C CB . ASP C 3 37 ? 36.011 -96.270 2.128 1.00 125.89 ? 164 ASP C CB 1 ATOM 7098 C CG . ASP C 3 37 ? 36.266 -95.092 3.059 1.00 125.04 ? 164 ASP C CG 1 ATOM 7099 O OD1 . ASP C 3 37 ? 35.490 -94.899 4.020 1.00 121.73 ? 164 ASP C OD1 1 ATOM 7100 O OD2 . ASP C 3 37 ? 37.247 -94.356 2.825 1.00 127.67 ? 164 ASP C OD2 1 ATOM 7101 H H . ASP C 3 37 ? 33.303 -97.858 2.944 1.00 152.33 ? 164 ASP C H 1 ATOM 7102 H HA . ASP C 3 37 ? 35.404 -98.224 2.310 1.00 151.85 ? 164 ASP C HA 1 ATOM 7103 H HB2 . ASP C 3 37 ? 36.870 -96.619 1.844 1.00 151.07 ? 164 ASP C HB2 1 ATOM 7104 H HB3 . ASP C 3 37 ? 35.515 -95.943 1.360 1.00 151.07 ? 164 ASP C HB3 1 ATOM 7105 N N . VAL C 3 38 ? 35.101 -96.853 5.165 1.00 117.37 ? 165 VAL C N 1 ATOM 7106 C CA . VAL C 3 38 ? 35.597 -96.825 6.538 1.00 110.46 ? 165 VAL C CA 1 ATOM 7107 C C . VAL C 3 38 ? 34.487 -96.970 7.572 1.00 108.96 ? 165 VAL C C 1 ATOM 7108 O O . VAL C 3 38 ? 33.445 -96.324 7.479 1.00 107.98 ? 165 VAL C O 1 ATOM 7109 C CB . VAL C 3 38 ? 36.361 -95.514 6.822 1.00 102.92 ? 165 VAL C CB 1 ATOM 7110 C CG1 . VAL C 3 38 ? 36.436 -95.258 8.312 1.00 102.86 ? 165 VAL C CG1 1 ATOM 7111 C CG2 . VAL C 3 38 ? 37.751 -95.562 6.208 1.00 100.09 ? 165 VAL C CG2 1 ATOM 7112 H H . VAL C 3 38 ? 34.403 -96.369 5.032 1.00 140.85 ? 165 VAL C H 1 ATOM 7113 H HA . VAL C 3 38 ? 36.222 -97.570 6.662 1.00 132.56 ? 165 VAL C HA 1 ATOM 7114 H HB . VAL C 3 38 ? 35.876 -94.767 6.412 1.00 123.50 ? 165 VAL C HB 1 ATOM 7115 H HG11 . VAL C 3 38 ? 36.914 -94.440 8.465 1.00 123.44 ? 165 VAL C HG11 1 ATOM 7116 H HG12 . VAL C 3 38 ? 35.545 -95.188 8.661 1.00 123.44 ? 165 VAL C HG12 1 ATOM 7117 H HG13 . VAL C 3 38 ? 36.896 -95.989 8.731 1.00 123.44 ? 165 VAL C HG13 1 ATOM 7118 H HG21 . VAL C 3 38 ? 38.205 -94.737 6.398 1.00 120.11 ? 165 VAL C HG21 1 ATOM 7119 H HG22 . VAL C 3 38 ? 38.235 -96.298 6.589 1.00 120.11 ? 165 VAL C HG22 1 ATOM 7120 H HG23 . VAL C 3 38 ? 37.668 -95.680 5.259 1.00 120.11 ? 165 VAL C HG23 1 ATOM 7121 N N . LYS C 3 39 ? 34.727 -97.831 8.557 1.00 108.72 ? 166 LYS C N 1 ATOM 7122 C CA . LYS C 3 39 ? 33.811 -98.018 9.682 1.00 106.94 ? 166 LYS C CA 1 ATOM 7123 C C . LYS C 3 39 ? 33.173 -96.720 10.184 1.00 103.19 ? 166 LYS C C 1 ATOM 7124 O O . LYS C 3 39 ? 31.950 -96.626 10.269 1.00 101.94 ? 166 LYS C O 1 ATOM 7125 C CB . LYS C 3 39 ? 34.504 -98.750 10.850 1.00 108.73 ? 166 LYS C CB 1 ATOM 7126 C CG . LYS C 3 39 ? 36.033 -98.624 10.915 1.00 107.45 ? 166 LYS C CG 1 ATOM 7127 C CD . LYS C 3 39 ? 36.512 -97.933 12.185 1.00 103.96 ? 166 LYS C CD 1 ATOM 7128 C CE . LYS C 3 39 ? 37.092 -98.914 13.197 1.00 101.46 ? 166 LYS C CE 1 ATOM 7129 N NZ . LYS C 3 39 ? 38.387 -99.506 12.748 1.00 98.63 ? 166 LYS C NZ 1 ATOM 7130 H H . LYS C 3 39 ? 35.428 -98.327 8.598 1.00 130.46 ? 166 LYS C H 1 ATOM 7131 H HA . LYS C 3 39 ? 33.079 -98.595 9.378 1.00 128.33 ? 166 LYS C HA 1 ATOM 7132 H HB2 . LYS C 3 39 ? 34.150 -98.399 11.682 1.00 130.48 ? 166 LYS C HB2 1 ATOM 7133 H HB3 . LYS C 3 39 ? 34.295 -99.695 10.785 1.00 130.48 ? 166 LYS C HB3 1 ATOM 7134 H HG2 . LYS C 3 39 ? 36.425 -99.511 10.890 1.00 128.94 ? 166 LYS C HG2 1 ATOM 7135 H HG3 . LYS C 3 39 ? 36.340 -98.103 10.156 1.00 128.94 ? 166 LYS C HG3 1 ATOM 7136 H HD2 . LYS C 3 39 ? 37.203 -97.292 11.957 1.00 124.75 ? 166 LYS C HD2 1 ATOM 7137 H HD3 . LYS C 3 39 ? 35.762 -97.479 12.602 1.00 124.75 ? 166 LYS C HD3 1 ATOM 7138 H HE2 . LYS C 3 39 ? 37.248 -98.450 14.034 1.00 121.75 ? 166 LYS C HE2 1 ATOM 7139 H HE3 . LYS C 3 39 ? 36.461 -99.639 13.331 1.00 121.75 ? 166 LYS C HE3 1 ATOM 7140 H HZ1 . LYS C 3 39 ? 38.692 -100.072 13.364 1.00 118.36 ? 166 LYS C HZ1 1 ATOM 7141 H HZ2 . LYS C 3 39 ? 38.271 -99.946 11.983 1.00 118.36 ? 166 LYS C HZ2 1 ATOM 7142 H HZ3 . LYS C 3 39 ? 38.988 -98.862 12.623 1.00 118.36 ? 166 LYS C HZ3 1 ATOM 7143 N N . ASP C 3 40 ? 33.995 -95.731 10.523 1.00 102.10 ? 167 ASP C N 1 ATOM 7144 C CA . ASP C 3 40 ? 33.499 -94.495 11.136 1.00 102.10 ? 167 ASP C CA 1 ATOM 7145 C C . ASP C 3 40 ? 32.731 -93.549 10.201 1.00 93.40 ? 167 ASP C C 1 ATOM 7146 O O . ASP C 3 40 ? 32.096 -92.609 10.672 1.00 92.29 ? 167 ASP C O 1 ATOM 7147 C CB . ASP C 3 40 ? 34.657 -93.725 11.784 1.00 109.91 ? 167 ASP C CB 1 ATOM 7148 C CG . ASP C 3 40 ? 35.600 -93.114 10.764 1.00 113.63 ? 167 ASP C CG 1 ATOM 7149 O OD1 . ASP C 3 40 ? 36.687 -92.649 11.162 1.00 114.57 ? 167 ASP C OD1 1 ATOM 7150 O OD2 . ASP C 3 40 ? 35.259 -93.100 9.565 1.00 114.79 ? 167 ASP C OD2 1 ATOM 7151 H H . ASP C 3 40 ? 34.847 -95.748 10.410 1.00 122.52 ? 167 ASP C H 1 ATOM 7152 H HA . ASP C 3 40 ? 32.882 -94.744 11.856 1.00 122.52 ? 167 ASP C HA 1 ATOM 7153 H HB2 . ASP C 3 40 ? 34.294 -93.007 12.325 1.00 131.89 ? 167 ASP C HB2 1 ATOM 7154 H HB3 . ASP C 3 40 ? 35.169 -94.334 12.339 1.00 131.89 ? 167 ASP C HB3 1 ATOM 7155 N N . ARG C 3 41 ? 32.790 -93.778 8.892 1.00 86.19 ? 168 ARG C N 1 ATOM 7156 C CA . ARG C 3 41 ? 32.138 -92.872 7.942 1.00 78.28 ? 168 ARG C CA 1 ATOM 7157 C C . ARG C 3 41 ? 30.933 -93.502 7.247 1.00 73.85 ? 168 ARG C C 1 ATOM 7158 O O . ARG C 3 41 ? 31.035 -94.584 6.671 1.00 76.99 ? 168 ARG C O 1 ATOM 7159 C CB . ARG C 3 41 ? 33.137 -92.400 6.881 1.00 78.25 ? 168 ARG C CB 1 ATOM 7160 C CG . ARG C 3 41 ? 34.086 -91.308 7.339 1.00 84.02 ? 168 ARG C CG 1 ATOM 7161 C CD . ARG C 3 41 ? 35.216 -91.131 6.345 1.00 93.32 ? 168 ARG C CD 1 ATOM 7162 N NE . ARG C 3 41 ? 34.710 -90.978 4.981 1.00 101.02 ? 168 ARG C NE 1 ATOM 7163 C CZ . ARG C 3 41 ? 34.840 -89.886 4.231 1.00 105.82 ? 168 ARG C CZ 1 ATOM 7164 N NH1 . ARG C 3 41 ? 35.483 -88.816 4.681 1.00 108.61 ? 168 ARG C NH1 1 ATOM 7165 N NH2 . ARG C 3 41 ? 34.329 -89.869 3.009 1.00 105.37 ? 168 ARG C NH2 1 ATOM 7166 H H . ARG C 3 41 ? 33.196 -94.443 8.529 1.00 103.43 ? 168 ARG C H 1 ATOM 7167 H HA . ARG C 3 41 ? 31.823 -92.082 8.428 1.00 93.93 ? 168 ARG C HA 1 ATOM 7168 H HB2 . ARG C 3 41 ? 33.675 -93.159 6.604 1.00 93.90 ? 168 ARG C HB2 1 ATOM 7169 H HB3 . ARG C 3 41 ? 32.641 -92.058 6.121 1.00 93.90 ? 168 ARG C HB3 1 ATOM 7170 H HG2 . ARG C 3 41 ? 33.604 -90.469 7.407 1.00 100.83 ? 168 ARG C HG2 1 ATOM 7171 H HG3 . ARG C 3 41 ? 34.467 -91.550 8.197 1.00 100.83 ? 168 ARG C HG3 1 ATOM 7172 H HD2 . ARG C 3 41 ? 35.722 -90.336 6.573 1.00 111.98 ? 168 ARG C HD2 1 ATOM 7173 H HD3 . ARG C 3 41 ? 35.790 -91.913 6.371 1.00 111.98 ? 168 ARG C HD3 1 ATOM 7174 H HE . ARG C 3 41 ? 34.294 -91.648 4.637 1.00 121.23 ? 168 ARG C HE 1 ATOM 7175 H HH11 . ARG C 3 41 ? 35.818 -88.817 5.474 1.00 130.34 ? 168 ARG C HH11 1 ATOM 7176 H HH12 . ARG C 3 41 ? 35.561 -88.120 4.182 1.00 130.34 ? 168 ARG C HH12 1 ATOM 7177 H HH21 . ARG C 3 41 ? 33.914 -90.558 2.707 1.00 126.44 ? 168 ARG C HH21 1 ATOM 7178 H HH22 . ARG C 3 41 ? 34.415 -89.168 2.517 1.00 126.44 ? 168 ARG C HH22 1 ATOM 7179 N N . LYS C 3 42 ? 29.797 -92.812 7.299 1.00 67.52 ? 169 LYS C N 1 ATOM 7180 C CA . LYS C 3 42 ? 28.606 -93.231 6.565 1.00 64.68 ? 169 LYS C CA 1 ATOM 7181 C C . LYS C 3 42 ? 28.136 -92.144 5.597 1.00 63.94 ? 169 LYS C C 1 ATOM 7182 O O . LYS C 3 42 ? 28.614 -91.011 5.637 1.00 66.28 ? 169 LYS C O 1 ATOM 7183 C CB . LYS C 3 42 ? 27.474 -93.605 7.526 1.00 65.63 ? 169 LYS C CB 1 ATOM 7184 C CG . LYS C 3 42 ? 27.571 -95.018 8.079 1.00 72.85 ? 169 LYS C CG 1 ATOM 7185 C CD . LYS C 3 42 ? 26.263 -95.450 8.722 1.00 78.66 ? 169 LYS C CD 1 ATOM 7186 C CE . LYS C 3 42 ? 26.249 -96.944 8.995 1.00 82.50 ? 169 LYS C CE 1 ATOM 7187 N NZ . LYS C 3 42 ? 24.891 -97.527 8.814 1.00 82.55 ? 169 LYS C NZ 1 ATOM 7188 H H . LYS C 3 42 ? 29.689 -92.091 7.755 1.00 81.03 ? 169 LYS C H 1 ATOM 7189 H HA . LYS C 3 42 ? 28.826 -94.027 6.038 1.00 77.61 ? 169 LYS C HA 1 ATOM 7190 H HB2 . LYS C 3 42 ? 27.488 -92.992 8.278 1.00 78.76 ? 169 LYS C HB2 1 ATOM 7191 H HB3 . LYS C 3 42 ? 26.629 -93.529 7.057 1.00 78.76 ? 169 LYS C HB3 1 ATOM 7192 H HG2 . LYS C 3 42 ? 27.772 -95.633 7.356 1.00 87.43 ? 169 LYS C HG2 1 ATOM 7193 H HG3 . LYS C 3 42 ? 28.267 -95.052 8.753 1.00 87.43 ? 169 LYS C HG3 1 ATOM 7194 H HD2 . LYS C 3 42 ? 26.152 -94.985 9.566 1.00 94.39 ? 169 LYS C HD2 1 ATOM 7195 H HD3 . LYS C 3 42 ? 25.528 -95.242 8.124 1.00 94.39 ? 169 LYS C HD3 1 ATOM 7196 H HE2 . LYS C 3 42 ? 26.853 -97.386 8.379 1.00 99.00 ? 169 LYS C HE2 1 ATOM 7197 H HE3 . LYS C 3 42 ? 26.528 -97.103 9.910 1.00 99.00 ? 169 LYS C HE3 1 ATOM 7198 H HZ1 . LYS C 3 42 ? 24.911 -98.401 8.980 1.00 99.06 ? 169 LYS C HZ1 1 ATOM 7199 H HZ2 . LYS C 3 42 ? 24.317 -97.140 9.374 1.00 99.06 ? 169 LYS C HZ2 1 ATOM 7200 H HZ3 . LYS C 3 42 ? 24.613 -97.397 7.979 1.00 99.06 ? 169 LYS C HZ3 1 ATOM 7201 N N . GLN C 3 43 ? 27.198 -92.505 4.725 1.00 60.74 ? 170 GLN C N 1 ATOM 7202 C CA . GLN C 3 43 ? 26.686 -91.593 3.706 1.00 58.15 ? 170 GLN C CA 1 ATOM 7203 C C . GLN C 3 43 ? 25.275 -91.986 3.286 1.00 57.36 ? 170 GLN C C 1 ATOM 7204 O O . GLN C 3 43 ? 24.963 -93.170 3.171 1.00 59.72 ? 170 GLN C O 1 ATOM 7205 C CB . GLN C 3 43 ? 27.609 -91.609 2.488 1.00 61.19 ? 170 GLN C CB 1 ATOM 7206 C CG . GLN C 3 43 ? 26.900 -91.467 1.145 1.00 67.93 ? 170 GLN C CG 1 ATOM 7207 C CD . GLN C 3 43 ? 27.838 -91.661 -0.034 1.00 73.96 ? 170 GLN C CD 1 ATOM 7208 O OE1 . GLN C 3 43 ? 29.049 -91.797 0.138 1.00 78.53 ? 170 GLN C OE1 1 ATOM 7209 N NE2 . GLN C 3 43 ? 27.281 -91.676 -1.239 1.00 72.47 ? 170 GLN C NE2 1 ATOM 7210 H H . GLN C 3 43 ? 26.837 -93.285 4.703 1.00 72.89 ? 170 GLN C H 1 ATOM 7211 H HA . GLN C 3 43 ? 26.661 -90.682 4.066 1.00 69.78 ? 170 GLN C HA 1 ATOM 7212 H HB2 . GLN C 3 43 ? 28.237 -90.873 2.567 1.00 73.43 ? 170 GLN C HB2 1 ATOM 7213 H HB3 . GLN C 3 43 ? 28.092 -92.450 2.477 1.00 73.43 ? 170 GLN C HB3 1 ATOM 7214 H HG2 . GLN C 3 43 ? 26.199 -92.135 1.084 1.00 81.51 ? 170 GLN C HG2 1 ATOM 7215 H HG3 . GLN C 3 43 ? 26.517 -90.577 1.081 1.00 81.51 ? 170 GLN C HG3 1 ATOM 7216 H HE21 . GLN C 3 43 ? 26.430 -91.580 -1.321 1.00 86.96 ? 170 GLN C HE21 1 ATOM 7217 H HE22 . GLN C 3 43 ? 27.771 -91.783 -1.938 1.00 86.96 ? 170 GLN C HE22 1 ATOM 7218 N N . LYS C 3 44 ? 24.428 -90.989 3.047 1.00 55.11 ? 171 LYS C N 1 ATOM 7219 C CA . LYS C 3 44 ? 23.047 -91.240 2.646 1.00 54.55 ? 171 LYS C CA 1 ATOM 7220 C C . LYS C 3 44 ? 22.971 -91.672 1.183 1.00 52.48 ? 171 LYS C C 1 ATOM 7221 O O . LYS C 3 44 ? 23.774 -91.237 0.355 1.00 49.44 ? 171 LYS C O 1 ATOM 7222 C CB . LYS C 3 44 ? 22.190 -89.990 2.867 1.00 54.49 ? 171 LYS C CB 1 ATOM 7223 C CG . LYS C 3 44 ? 20.709 -90.207 2.597 1.00 56.63 ? 171 LYS C CG 1 ATOM 7224 C CD . LYS C 3 44 ? 19.940 -88.897 2.559 1.00 55.86 ? 171 LYS C CD 1 ATOM 7225 C CE . LYS C 3 44 ? 19.763 -88.299 3.943 1.00 57.04 ? 171 LYS C CE 1 ATOM 7226 N NZ . LYS C 3 44 ? 18.935 -87.062 3.899 1.00 58.51 ? 171 LYS C NZ 1 ATOM 7227 H H . LYS C 3 44 ? 24.629 -90.156 3.110 1.00 66.14 ? 171 LYS C H 1 ATOM 7228 H HA . LYS C 3 44 ? 22.679 -91.963 3.197 1.00 65.47 ? 171 LYS C HA 1 ATOM 7229 H HB2 . LYS C 3 44 ? 22.285 -89.705 3.790 1.00 65.39 ? 171 LYS C HB2 1 ATOM 7230 H HB3 . LYS C 3 44 ? 22.500 -89.289 2.273 1.00 65.39 ? 171 LYS C HB3 1 ATOM 7231 H HG2 . LYS C 3 44 ? 20.603 -90.646 1.738 1.00 67.95 ? 171 LYS C HG2 1 ATOM 7232 H HG3 . LYS C 3 44 ? 20.334 -90.758 3.302 1.00 67.95 ? 171 LYS C HG3 1 ATOM 7233 H HD2 . LYS C 3 44 ? 20.427 -88.259 2.014 1.00 67.04 ? 171 LYS C HD2 1 ATOM 7234 H HD3 . LYS C 3 44 ? 19.060 -89.056 2.183 1.00 67.04 ? 171 LYS C HD3 1 ATOM 7235 H HE2 . LYS C 3 44 ? 19.317 -88.943 4.516 1.00 68.45 ? 171 LYS C HE2 1 ATOM 7236 H HE3 . LYS C 3 44 ? 20.632 -88.070 4.307 1.00 68.45 ? 171 LYS C HE3 1 ATOM 7237 H HZ1 . LYS C 3 44 ? 18.843 -86.728 4.719 1.00 70.21 ? 171 LYS C HZ1 1 ATOM 7238 H HZ2 . LYS C 3 44 ? 19.325 -86.453 3.380 1.00 70.21 ? 171 LYS C HZ2 1 ATOM 7239 H HZ3 . LYS C 3 44 ? 18.129 -87.247 3.570 1.00 70.21 ? 171 LYS C HZ3 1 ATOM 7240 N N . VAL C 3 45 ? 21.997 -92.523 0.870 1.00 54.72 ? 172 VAL C N 1 ATOM 7241 C CA . VAL C 3 45 ? 21.857 -93.068 -0.478 1.00 56.84 ? 172 VAL C CA 1 ATOM 7242 C C . VAL C 3 45 ? 20.398 -93.327 -0.851 1.00 53.67 ? 172 VAL C C 1 ATOM 7243 O O . VAL C 3 45 ? 19.573 -93.630 0.008 1.00 50.72 ? 172 VAL C O 1 ATOM 7244 C CB . VAL C 3 45 ? 22.657 -94.382 -0.622 1.00 62.95 ? 172 VAL C CB 1 ATOM 7245 C CG1 . VAL C 3 45 ? 22.148 -95.203 -1.798 1.00 70.16 ? 172 VAL C CG1 1 ATOM 7246 C CG2 . VAL C 3 45 ? 24.141 -94.084 -0.774 1.00 58.60 ? 172 VAL C CG2 1 ATOM 7247 H H . VAL C 3 45 ? 21.401 -92.802 1.423 1.00 65.66 ? 172 VAL C H 1 ATOM 7248 H HA . VAL C 3 45 ? 22.221 -92.423 -1.119 1.00 68.21 ? 172 VAL C HA 1 ATOM 7249 H HB . VAL C 3 45 ? 22.538 -94.916 0.191 1.00 75.54 ? 172 VAL C HB 1 ATOM 7250 H HG11 . VAL C 3 45 ? 22.663 -96.011 -1.861 1.00 84.19 ? 172 VAL C HG11 1 ATOM 7251 H HG12 . VAL C 3 45 ? 21.223 -95.415 -1.655 1.00 84.19 ? 172 VAL C HG12 1 ATOM 7252 H HG13 . VAL C 3 45 ? 22.246 -94.689 -2.603 1.00 84.19 ? 172 VAL C HG13 1 ATOM 7253 H HG21 . VAL C 3 45 ? 24.618 -94.913 -0.862 1.00 70.32 ? 172 VAL C HG21 1 ATOM 7254 H HG22 . VAL C 3 45 ? 24.273 -93.546 -1.557 1.00 70.32 ? 172 VAL C HG22 1 ATOM 7255 H HG23 . VAL C 3 45 ? 24.446 -93.611 0.004 1.00 70.32 ? 172 VAL C HG23 1 ATOM 7256 N N . ASN C 3 46 ? 20.095 -93.202 -2.141 1.00 56.02 ? 173 ASN C N 1 ATOM 7257 C CA . ASN C 3 46 ? 18.761 -93.482 -2.668 1.00 62.05 ? 173 ASN C CA 1 ATOM 7258 C C . ASN C 3 46 ? 18.680 -94.887 -3.262 1.00 65.15 ? 173 ASN C C 1 ATOM 7259 O O . ASN C 3 46 ? 19.687 -95.439 -3.705 1.00 67.92 ? 173 ASN C O 1 ATOM 7260 C CB . ASN C 3 46 ? 18.396 -92.463 -3.754 1.00 67.15 ? 173 ASN C CB 1 ATOM 7261 C CG . ASN C 3 46 ? 17.676 -91.241 -3.207 1.00 71.54 ? 173 ASN C CG 1 ATOM 7262 O OD1 . ASN C 3 46 ? 17.615 -91.026 -1.996 1.00 73.09 ? 173 ASN C OD1 1 ATOM 7263 N ND2 . ASN C 3 46 ? 17.128 -90.429 -4.111 1.00 73.00 ? 173 ASN C ND2 1 ATOM 7264 H H . ASN C 3 46 ? 20.656 -92.953 -2.743 1.00 67.22 ? 173 ASN C H 1 ATOM 7265 H HA . ASN C 3 46 ? 18.103 -93.412 -1.945 1.00 74.46 ? 173 ASN C HA 1 ATOM 7266 H HB2 . ASN C 3 46 ? 19.209 -92.161 -4.189 1.00 80.58 ? 173 ASN C HB2 1 ATOM 7267 H HB3 . ASN C 3 46 ? 17.813 -92.888 -4.402 1.00 80.58 ? 173 ASN C HB3 1 ATOM 7268 H HD21 . ASN C 3 46 ? 17.194 -90.611 -4.949 1.00 87.61 ? 173 ASN C HD21 1 ATOM 7269 N N . ALA C 3 47 ? 17.478 -95.458 -3.278 1.00 66.12 ? 174 ALA C N 1 ATOM 7270 C CA . ALA C 3 47 ? 17.252 -96.762 -3.898 1.00 69.06 ? 174 ALA C CA 1 ATOM 7271 C C . ALA C 3 47 ? 15.763 -96.988 -4.154 1.00 72.91 ? 174 ALA C C 1 ATOM 7272 O O . ALA C 3 47 ? 14.917 -96.455 -3.438 1.00 74.44 ? 174 ALA C O 1 ATOM 7273 C CB . ALA C 3 47 ? 17.818 -97.872 -3.027 1.00 71.97 ? 174 ALA C CB 1 ATOM 7274 H H . ALA C 3 47 ? 16.772 -95.108 -2.934 1.00 79.34 ? 174 ALA C H 1 ATOM 7275 H HA . ALA C 3 47 ? 17.715 -96.789 -4.761 1.00 82.87 ? 174 ALA C HA 1 ATOM 7276 H HB1 . ALA C 3 47 ? 17.657 -98.717 -3.455 1.00 86.36 ? 174 ALA C HB1 1 ATOM 7277 H HB2 . ALA C 3 47 ? 18.762 -97.734 -2.920 1.00 86.36 ? 174 ALA C HB2 1 ATOM 7278 H HB3 . ALA C 3 47 ? 17.384 -97.850 -2.172 1.00 86.36 ? 174 ALA C HB3 1 ATOM 7279 N N . THR C 3 48 ? 15.449 -97.782 -5.174 1.00 77.58 ? 175 THR C N 1 ATOM 7280 C CA . THR C 3 48 ? 14.062 -97.988 -5.587 1.00 85.18 ? 175 THR C CA 1 ATOM 7281 C C . THR C 3 48 ? 13.793 -99.440 -5.982 1.00 85.89 ? 175 THR C C 1 ATOM 7282 O O . THR C 3 48 ? 14.719 -100.246 -6.070 1.00 82.66 ? 175 THR C O 1 ATOM 7283 C CB . THR C 3 48 ? 13.705 -97.075 -6.773 1.00 92.01 ? 175 THR C CB 1 ATOM 7284 O OG1 . THR C 3 48 ? 14.492 -97.437 -7.914 1.00 96.59 ? 175 THR C OG1 1 ATOM 7285 C CG2 . THR C 3 48 ? 13.971 -95.621 -6.419 1.00 90.82 ? 175 THR C CG2 1 ATOM 7286 H H . THR C 3 48 ? 16.023 -98.215 -5.646 1.00 93.09 ? 175 THR C H 1 ATOM 7287 H HA . THR C 3 48 ? 13.470 -97.762 -4.840 1.00 102.21 ? 175 THR C HA 1 ATOM 7288 H HB . THR C 3 48 ? 12.764 -97.173 -6.984 1.00 110.41 ? 175 THR C HB 1 ATOM 7289 H HG1 . THR C 3 48 ? 14.305 -96.953 -8.549 1.00 115.91 ? 175 THR C HG1 1 ATOM 7290 H HG21 . THR C 3 48 ? 13.746 -95.056 -7.163 1.00 108.99 ? 175 THR C HG21 1 ATOM 7291 H HG22 . THR C 3 48 ? 13.439 -95.365 -5.662 1.00 108.99 ? 175 THR C HG22 1 ATOM 7292 H HG23 . THR C 3 48 ? 14.898 -95.499 -6.204 1.00 108.99 ? 175 THR C HG23 1 ATOM 7293 N N . PHE C 3 49 ? 12.524 -99.767 -6.224 1.00 89.98 ? 176 PHE C N 1 ATOM 7294 C CA . PHE C 3 49 ? 12.138 -101.137 -6.559 1.00 93.04 ? 176 PHE C CA 1 ATOM 7295 C C . PHE C 3 49 ? 11.064 -101.210 -7.645 1.00 96.20 ? 176 PHE C C 1 ATOM 7296 O O . PHE C 3 49 ? 10.433 -100.208 -7.981 1.00 95.54 ? 176 PHE C O 1 ATOM 7297 C CB . PHE C 3 49 ? 11.641 -101.868 -5.310 1.00 93.20 ? 176 PHE C CB 1 ATOM 7298 C CG . PHE C 3 49 ? 12.628 -101.878 -4.181 1.00 90.93 ? 176 PHE C CG 1 ATOM 7299 C CD1 . PHE C 3 49 ? 13.551 -102.904 -4.059 1.00 91.23 ? 176 PHE C CD1 1 ATOM 7300 C CD2 . PHE C 3 49 ? 12.633 -100.862 -3.240 1.00 87.93 ? 176 PHE C CD2 1 ATOM 7301 C CE1 . PHE C 3 49 ? 14.460 -102.916 -3.019 1.00 89.89 ? 176 PHE C CE1 1 ATOM 7302 C CE2 . PHE C 3 49 ? 13.539 -100.868 -2.198 1.00 86.36 ? 176 PHE C CE2 1 ATOM 7303 C CZ . PHE C 3 49 ? 14.454 -101.896 -2.087 1.00 87.68 ? 176 PHE C CZ 1 ATOM 7304 H H . PHE C 3 49 ? 11.867 -99.212 -6.200 1.00 107.97 ? 176 PHE C H 1 ATOM 7305 H HA . PHE C 3 49 ? 12.928 -101.614 -6.889 1.00 111.64 ? 176 PHE C HA 1 ATOM 7306 H HB2 . PHE C 3 49 ? 10.834 -101.432 -4.994 1.00 111.84 ? 176 PHE C HB2 1 ATOM 7307 H HB3 . PHE C 3 49 ? 11.447 -102.789 -5.544 1.00 111.84 ? 176 PHE C HB3 1 ATOM 7308 H HD1 . PHE C 3 49 ? 13.558 -103.592 -4.684 1.00 109.48 ? 176 PHE C HD1 1 ATOM 7309 H HD2 . PHE C 3 49 ? 12.018 -100.168 -3.311 1.00 105.51 ? 176 PHE C HD2 1 ATOM 7310 H HE1 . PHE C 3 49 ? 15.075 -103.609 -2.947 1.00 107.86 ? 176 PHE C HE1 1 ATOM 7311 H HE2 . PHE C 3 49 ? 13.533 -100.180 -1.572 1.00 103.63 ? 176 PHE C HE2 1 ATOM 7312 H HZ . PHE C 3 49 ? 15.065 -101.902 -1.386 1.00 105.21 ? 176 PHE C HZ 1 ATOM 7313 N N . TYR C 3 50 ? 10.866 -102.412 -8.184 1.00 102.16 ? 177 TYR C N 1 ATOM 7314 C CA . TYR C 3 50 ? 9.851 -102.659 -9.207 1.00 112.46 ? 177 TYR C CA 1 ATOM 7315 C C . TYR C 3 50 ? 9.316 -104.085 -9.075 1.00 129.76 ? 177 TYR C C 1 ATOM 7316 O O . TYR C 3 50 ? 10.090 -105.035 -8.963 1.00 136.10 ? 177 TYR C O 1 ATOM 7317 C CB . TYR C 3 50 ? 10.437 -102.436 -10.603 1.00 108.11 ? 177 TYR C CB 1 ATOM 7318 C CG . TYR C 3 50 ? 11.079 -101.078 -10.772 1.00 104.38 ? 177 TYR C CG 1 ATOM 7319 C CD1 . TYR C 3 50 ? 10.309 -99.955 -11.042 1.00 105.54 ? 177 TYR C CD1 1 ATOM 7320 C CD2 . TYR C 3 50 ? 12.453 -100.917 -10.657 1.00 100.49 ? 177 TYR C CD2 1 ATOM 7321 C CE1 . TYR C 3 50 ? 10.887 -98.710 -11.193 1.00 103.13 ? 177 TYR C CE1 1 ATOM 7322 C CE2 . TYR C 3 50 ? 13.043 -99.675 -10.807 1.00 97.87 ? 177 TYR C CE2 1 ATOM 7323 C CZ . TYR C 3 50 ? 12.255 -98.576 -11.076 1.00 99.67 ? 177 TYR C CZ 1 ATOM 7324 O OH . TYR C 3 50 ? 12.833 -97.336 -11.226 1.00 98.73 ? 177 TYR C OH 1 ATOM 7325 H H . TYR C 3 50 ? 11.315 -103.113 -7.968 1.00 122.59 ? 177 TYR C H 1 ATOM 7326 H HA . TYR C 3 50 ? 9.105 -102.037 -9.082 1.00 134.95 ? 177 TYR C HA 1 ATOM 7327 H HB2 . TYR C 3 50 ? 11.115 -103.109 -10.770 1.00 129.73 ? 177 TYR C HB2 1 ATOM 7328 H HB3 . TYR C 3 50 ? 9.726 -102.514 -11.258 1.00 129.73 ? 177 TYR C HB3 1 ATOM 7329 H HD1 . TYR C 3 50 ? 9.386 -100.043 -11.121 1.00 126.65 ? 177 TYR C HD1 1 ATOM 7330 H HD2 . TYR C 3 50 ? 12.986 -101.657 -10.475 1.00 120.59 ? 177 TYR C HD2 1 ATOM 7331 H HE1 . TYR C 3 50 ? 10.358 -97.967 -11.374 1.00 123.76 ? 177 TYR C HE1 1 ATOM 7332 H HE2 . TYR C 3 50 ? 13.965 -99.582 -10.728 1.00 117.45 ? 177 TYR C HE2 1 ATOM 7333 H HH . TYR C 3 50 ? 13.366 -97.349 -11.850 1.00 118.47 ? 177 TYR C HH 1 ATOM 7334 N N . LEU C 3 68 ? 4.739 -92.717 3.372 1.00 103.26 ? 190 LEU C N 1 ATOM 7335 C CA . LEU C 3 68 ? 6.065 -92.625 3.970 1.00 105.55 ? 190 LEU C CA 1 ATOM 7336 C C . LEU C 3 68 ? 6.089 -93.311 5.333 1.00 107.44 ? 190 LEU C C 1 ATOM 7337 O O . LEU C 3 68 ? 5.411 -92.883 6.266 1.00 106.76 ? 190 LEU C O 1 ATOM 7338 C CB . LEU C 3 68 ? 6.490 -91.160 4.095 1.00 106.69 ? 190 LEU C CB 1 ATOM 7339 C CG . LEU C 3 68 ? 7.938 -90.906 4.519 1.00 104.26 ? 190 LEU C CG 1 ATOM 7340 C CD1 . LEU C 3 68 ? 8.437 -89.602 3.923 1.00 106.20 ? 190 LEU C CD1 1 ATOM 7341 C CD2 . LEU C 3 68 ? 8.067 -90.874 6.032 1.00 98.79 ? 190 LEU C CD2 1 ATOM 7342 H HA . LEU C 3 68 ? 6.710 -93.080 3.390 1.00 126.66 ? 190 LEU C HA 1 ATOM 7343 H HB2 . LEU C 3 68 ? 6.363 -90.733 3.234 1.00 128.03 ? 190 LEU C HB2 1 ATOM 7344 H HB3 . LEU C 3 68 ? 5.919 -90.733 4.753 1.00 128.03 ? 190 LEU C HB3 1 ATOM 7345 H HG . LEU C 3 68 ? 8.498 -91.624 4.184 1.00 125.11 ? 190 LEU C HG 1 ATOM 7346 H HD11 . LEU C 3 68 ? 9.346 -89.460 4.200 1.00 127.44 ? 190 LEU C HD11 1 ATOM 7347 H HD12 . LEU C 3 68 ? 8.391 -89.657 2.966 1.00 127.44 ? 190 LEU C HD12 1 ATOM 7348 H HD13 . LEU C 3 68 ? 7.883 -88.883 4.237 1.00 127.44 ? 190 LEU C HD13 1 ATOM 7349 H HD21 . LEU C 3 68 ? 8.984 -90.714 6.264 1.00 118.55 ? 190 LEU C HD21 1 ATOM 7350 H HD22 . LEU C 3 68 ? 7.513 -90.170 6.377 1.00 118.55 ? 190 LEU C HD22 1 ATOM 7351 H HD23 . LEU C 3 68 ? 7.781 -91.719 6.387 1.00 118.55 ? 190 LEU C HD23 1 ATOM 7352 N N . TYR C 3 69 ? 6.876 -94.378 5.438 1.00 109.91 ? 191 TYR C N 1 ATOM 7353 C CA . TYR C 3 69 ? 6.921 -95.182 6.654 1.00 112.48 ? 191 TYR C CA 1 ATOM 7354 C C . TYR C 3 69 ? 8.320 -95.728 6.943 1.00 108.85 ? 191 TYR C C 1 ATOM 7355 O O . TYR C 3 69 ? 9.072 -96.052 6.024 1.00 104.86 ? 191 TYR C O 1 ATOM 7356 C CB . TYR C 3 69 ? 5.923 -96.338 6.548 1.00 117.96 ? 191 TYR C CB 1 ATOM 7357 C CG . TYR C 3 69 ? 5.786 -96.912 5.153 1.00 121.93 ? 191 TYR C CG 1 ATOM 7358 C CD1 . TYR C 3 69 ? 6.716 -97.816 4.658 1.00 125.84 ? 191 TYR C CD1 1 ATOM 7359 C CD2 . TYR C 3 69 ? 4.720 -96.556 4.335 1.00 123.48 ? 191 TYR C CD2 1 ATOM 7360 C CE1 . TYR C 3 69 ? 6.593 -98.347 3.385 1.00 129.07 ? 191 TYR C CE1 1 ATOM 7361 C CE2 . TYR C 3 69 ? 4.588 -97.082 3.059 1.00 126.70 ? 191 TYR C CE2 1 ATOM 7362 C CZ . TYR C 3 69 ? 5.529 -97.977 2.590 1.00 128.58 ? 191 TYR C CZ 1 ATOM 7363 O OH . TYR C 3 69 ? 5.411 -98.512 1.327 1.00 128.11 ? 191 TYR C OH 1 ATOM 7364 H H . TYR C 3 69 ? 7.397 -94.659 4.814 1.00 131.89 ? 191 TYR C H 1 ATOM 7365 H HA . TYR C 3 69 ? 6.654 -94.622 7.414 1.00 134.98 ? 191 TYR C HA 1 ATOM 7366 H HB2 . TYR C 3 69 ? 6.213 -97.054 7.135 1.00 141.55 ? 191 TYR C HB2 1 ATOM 7367 H HB3 . TYR C 3 69 ? 5.049 -96.021 6.824 1.00 141.55 ? 191 TYR C HB3 1 ATOM 7368 H HD1 . TYR C 3 69 ? 7.436 -98.068 5.190 1.00 151.01 ? 191 TYR C HD1 1 ATOM 7369 H HD2 . TYR C 3 69 ? 4.085 -95.953 4.648 1.00 148.17 ? 191 TYR C HD2 1 ATOM 7370 H HE1 . TYR C 3 69 ? 7.225 -98.951 3.068 1.00 154.88 ? 191 TYR C HE1 1 ATOM 7371 H HE2 . TYR C 3 69 ? 3.870 -96.833 2.523 1.00 152.04 ? 191 TYR C HE2 1 ATOM 7372 H HH . TYR C 3 69 ? 5.424 -97.914 0.766 1.00 153.73 ? 191 TYR C HH 1 ATOM 7373 N N . ARG C 3 70 ? 8.657 -95.830 8.227 1.00 109.59 ? 192 ARG C N 1 ATOM 7374 C CA . ARG C 3 70 ? 9.945 -96.373 8.649 1.00 108.83 ? 192 ARG C CA 1 ATOM 7375 C C . ARG C 3 70 ? 10.067 -97.840 8.249 1.00 106.65 ? 192 ARG C C 1 ATOM 7376 O O . ARG C 3 70 ? 9.064 -98.498 7.984 1.00 107.83 ? 192 ARG C O 1 ATOM 7377 C CB . ARG C 3 70 ? 10.110 -96.253 10.165 1.00 112.27 ? 192 ARG C CB 1 ATOM 7378 C CG . ARG C 3 70 ? 10.177 -94.830 10.694 1.00 114.91 ? 192 ARG C CG 1 ATOM 7379 C CD . ARG C 3 70 ? 10.570 -94.831 12.164 1.00 119.14 ? 192 ARG C CD 1 ATOM 7380 N NE . ARG C 3 70 ? 10.336 -93.544 12.814 1.00 117.18 ? 192 ARG C NE 1 ATOM 7381 C CZ . ARG C 3 70 ? 10.526 -93.316 14.110 1.00 109.86 ? 192 ARG C CZ 1 ATOM 7382 N NH1 . ARG C 3 70 ? 10.954 -94.289 14.905 1.00 104.96 ? 192 ARG C NH1 1 ATOM 7383 N NH2 . ARG C 3 70 ? 10.287 -92.115 14.615 1.00 107.77 ? 192 ARG C NH2 1 ATOM 7384 H H . ARG C 3 70 ? 8.151 -95.589 8.879 1.00 131.50 ? 192 ARG C H 1 ATOM 7385 H HA . ARG C 3 70 ? 10.668 -95.872 8.217 1.00 130.60 ? 192 ARG C HA 1 ATOM 7386 H HB2 . ARG C 3 70 ? 9.357 -96.689 10.593 1.00 134.72 ? 192 ARG C HB2 1 ATOM 7387 H HB3 . ARG C 3 70 ? 10.932 -96.699 10.422 1.00 134.72 ? 192 ARG C HB3 1 ATOM 7388 H HG2 . ARG C 3 70 ? 10.845 -94.331 10.198 1.00 137.89 ? 192 ARG C HG2 1 ATOM 7389 H HG3 . ARG C 3 70 ? 9.307 -94.411 10.609 1.00 137.89 ? 192 ARG C HG3 1 ATOM 7390 H HD2 . ARG C 3 70 ? 10.047 -95.502 12.631 1.00 142.96 ? 192 ARG C HD2 1 ATOM 7391 H HD3 . ARG C 3 70 ? 11.515 -95.037 12.239 1.00 142.96 ? 192 ARG C HD3 1 ATOM 7392 H HE . ARG C 3 70 ? 10.032 -92.900 12.332 1.00 140.62 ? 192 ARG C HE 1 ATOM 7393 H HH11 . ARG C 3 70 ? 11.110 -95.071 14.582 1.00 125.95 ? 192 ARG C HH11 1 ATOM 7394 H HH12 . ARG C 3 70 ? 11.075 -94.138 15.742 1.00 125.95 ? 192 ARG C HH12 1 ATOM 7395 H HH21 . ARG C 3 70 ? 10.009 -91.481 14.104 1.00 129.32 ? 192 ARG C HH21 1 ATOM 7396 H HH22 . ARG C 3 70 ? 10.410 -91.968 15.453 1.00 129.32 ? 192 ARG C HH22 1 ATOM 7397 N N . LEU C 3 71 ? 11.297 -98.347 8.221 1.00 101.15 ? 193 LEU C N 1 ATOM 7398 C CA . LEU C 3 71 ? 11.551 -99.733 7.836 1.00 91.68 ? 193 LEU C CA 1 ATOM 7399 C C . LEU C 3 71 ? 12.895 -100.208 8.386 1.00 82.44 ? 193 LEU C C 1 ATOM 7400 O O . LEU C 3 71 ? 13.711 -99.403 8.834 1.00 72.37 ? 193 LEU C O 1 ATOM 7401 C CB . LEU C 3 71 ? 11.546 -99.869 6.312 1.00 87.80 ? 193 LEU C CB 1 ATOM 7402 C CG . LEU C 3 71 ? 10.606 -100.917 5.712 1.00 87.35 ? 193 LEU C CG 1 ATOM 7403 C CD1 . LEU C 3 71 ? 9.157 -100.509 5.895 1.00 87.95 ? 193 LEU C CD1 1 ATOM 7404 C CD2 . LEU C 3 71 ? 10.916 -101.134 4.241 1.00 86.52 ? 193 LEU C CD2 1 ATOM 7405 H H . LEU C 3 71 ? 12.006 -97.906 8.423 1.00 121.38 ? 193 LEU C H 1 ATOM 7406 H HA . LEU C 3 71 ? 10.846 -100.307 8.201 1.00 110.01 ? 193 LEU C HA 1 ATOM 7407 H HB2 . LEU C 3 71 ? 11.296 -99.011 5.933 1.00 105.37 ? 193 LEU C HB2 1 ATOM 7408 H HB3 . LEU C 3 71 ? 12.445 -100.094 6.026 1.00 105.37 ? 193 LEU C HB3 1 ATOM 7409 H HG . LEU C 3 71 ? 10.739 -101.761 6.173 1.00 104.83 ? 193 LEU C HG 1 ATOM 7410 H HD11 . LEU C 3 71 ? 8.591 -101.183 5.511 1.00 105.54 ? 193 LEU C HD11 1 ATOM 7411 H HD12 . LEU C 3 71 ? 8.973 -100.423 6.833 1.00 105.54 ? 193 LEU C HD12 1 ATOM 7412 H HD13 . LEU C 3 71 ? 9.011 -99.668 5.454 1.00 105.54 ? 193 LEU C HD13 1 ATOM 7413 H HD21 . LEU C 3 71 ? 10.314 -101.794 3.889 1.00 103.83 ? 193 LEU C HD21 1 ATOM 7414 H HD22 . LEU C 3 71 ? 10.802 -100.303 3.773 1.00 103.83 ? 193 LEU C HD22 1 ATOM 7415 H HD23 . LEU C 3 71 ? 11.823 -101.437 4.154 1.00 103.83 ? 193 LEU C HD23 1 ATOM 7416 N N . ILE C 3 72 ? 13.116 -101.520 8.345 1.00 87.52 ? 194 ILE C N 1 ATOM 7417 C CA . ILE C 3 72 ? 14.380 -102.111 8.776 1.00 88.51 ? 194 ILE C CA 1 ATOM 7418 C C . ILE C 3 72 ? 14.732 -103.312 7.903 1.00 85.61 ? 194 ILE C C 1 ATOM 7419 O O . ILE C 3 72 ? 13.895 -104.181 7.675 1.00 87.19 ? 194 ILE C O 1 ATOM 7420 C CB . ILE C 3 72 ? 14.315 -102.588 10.244 1.00 92.92 ? 194 ILE C CB 1 ATOM 7421 C CG1 . ILE C 3 72 ? 14.205 -101.399 11.201 1.00 104.99 ? 194 ILE C CG1 1 ATOM 7422 C CG2 . ILE C 3 72 ? 15.544 -103.416 10.588 1.00 84.69 ? 194 ILE C CG2 1 ATOM 7423 C CD1 . ILE C 3 72 ? 15.374 -100.455 11.135 1.00 110.83 ? 194 ILE C CD1 1 ATOM 7424 H H . ILE C 3 72 ? 12.541 -102.096 8.069 1.00 105.03 ? 194 ILE C H 1 ATOM 7425 H HA . ILE C 3 72 ? 15.096 -101.447 8.696 1.00 106.22 ? 194 ILE C HA 1 ATOM 7426 H HB . ILE C 3 72 ? 13.529 -103.145 10.352 1.00 111.50 ? 194 ILE C HB 1 ATOM 7427 H HG12 . ILE C 3 72 ? 13.405 -100.895 10.983 1.00 125.99 ? 194 ILE C HG12 1 ATOM 7428 H HG13 . ILE C 3 72 ? 14.144 -101.733 12.109 1.00 125.99 ? 194 ILE C HG13 1 ATOM 7429 H HG21 . ILE C 3 72 ? 15.483 -103.701 11.503 1.00 101.63 ? 194 ILE C HG21 1 ATOM 7430 H HG22 . ILE C 3 72 ? 15.578 -104.181 10.009 1.00 101.63 ? 194 ILE C HG22 1 ATOM 7431 H HG23 . ILE C 3 72 ? 16.329 -102.877 10.465 1.00 101.63 ? 194 ILE C HG23 1 ATOM 7432 H HD11 . ILE C 3 72 ? 15.233 -99.739 11.760 1.00 133.00 ? 194 ILE C HD11 1 ATOM 7433 H HD12 . ILE C 3 72 ? 16.175 -100.934 11.361 1.00 133.00 ? 194 ILE C HD12 1 ATOM 7434 H HD13 . ILE C 3 72 ? 15.442 -100.104 10.244 1.00 133.00 ? 194 ILE C HD13 1 ATOM 7435 N N . SER C 3 73 ? 15.970 -103.356 7.419 1.00 80.08 ? 195 SER C N 1 ATOM 7436 C CA . SER C 3 73 ? 16.445 -104.488 6.630 1.00 75.25 ? 195 SER C CA 1 ATOM 7437 C C . SER C 3 73 ? 17.448 -105.306 7.435 1.00 74.56 ? 195 SER C C 1 ATOM 7438 O O . SER C 3 73 ? 18.322 -104.746 8.093 1.00 73.34 ? 195 SER C O 1 ATOM 7439 C CB . SER C 3 73 ? 17.094 -104.006 5.334 1.00 70.14 ? 195 SER C CB 1 ATOM 7440 O OG . SER C 3 73 ? 17.598 -105.099 4.586 1.00 69.66 ? 195 SER C OG 1 ATOM 7441 H H . SER C 3 73 ? 16.558 -102.739 7.535 1.00 96.09 ? 195 SER C H 1 ATOM 7442 H HA . SER C 3 73 ? 15.688 -105.066 6.400 1.00 90.30 ? 195 SER C HA 1 ATOM 7443 H HB2 . SER C 3 73 ? 16.430 -103.539 4.803 1.00 84.17 ? 195 SER C HB2 1 ATOM 7444 H HB3 . SER C 3 73 ? 17.826 -103.407 5.551 1.00 84.17 ? 195 SER C HB3 1 ATOM 7445 H HG . SER C 3 73 ? 17.944 -104.829 3.893 1.00 83.59 ? 195 SER C HG 1 ATOM 7446 N N . CYS C 3 74 ? 17.327 -106.629 7.373 1.00 74.19 ? 196 CYS C N 1 ATOM 7447 C CA . CYS C 3 74 ? 18.152 -107.503 8.201 1.00 73.42 ? 196 CYS C CA 1 ATOM 7448 C C . CYS C 3 74 ? 18.761 -108.671 7.432 1.00 74.03 ? 196 CYS C C 1 ATOM 7449 O O . CYS C 3 74 ? 18.085 -109.335 6.647 1.00 72.90 ? 196 CYS C O 1 ATOM 7450 C CB . CYS C 3 74 ? 17.324 -108.052 9.365 1.00 74.19 ? 196 CYS C CB 1 ATOM 7451 S SG . CYS C 3 74 ? 16.724 -106.791 10.507 1.00 123.17 ? 196 CYS C SG 1 ATOM 7452 H H . CYS C 3 74 ? 16.776 -107.045 6.860 1.00 89.03 ? 196 CYS C H 1 ATOM 7453 H HA . CYS C 3 74 ? 18.888 -106.978 8.578 1.00 88.11 ? 196 CYS C HA 1 ATOM 7454 H HB2 . CYS C 3 74 ? 16.551 -108.516 9.006 1.00 89.03 ? 196 CYS C HB2 1 ATOM 7455 H HB3 . CYS C 3 74 ? 17.871 -108.672 9.872 1.00 89.03 ? 196 CYS C HB3 1 ATOM 7456 N N . GLN C 3 75 ? 20.047 -108.910 7.670 1.00 72.76 ? 197 GLN C N 1 ATOM 7457 C CA . GLN C 3 75 ? 20.712 -110.119 7.205 1.00 74.37 ? 197 GLN C CA 1 ATOM 7458 C C . GLN C 3 75 ? 21.128 -110.929 8.423 1.00 76.94 ? 197 GLN C C 1 ATOM 7459 O O . GLN C 3 75 ? 21.562 -110.367 9.428 1.00 76.66 ? 197 GLN C O 1 ATOM 7460 C CB . GLN C 3 75 ? 21.940 -109.784 6.360 1.00 79.68 ? 197 GLN C CB 1 ATOM 7461 C CG . GLN C 3 75 ? 21.623 -109.109 5.040 1.00 81.58 ? 197 GLN C CG 1 ATOM 7462 C CD . GLN C 3 75 ? 22.824 -109.055 4.117 1.00 82.34 ? 197 GLN C CD 1 ATOM 7463 O OE1 . GLN C 3 75 ? 23.730 -109.883 4.208 1.00 88.22 ? 197 GLN C OE1 1 ATOM 7464 N NE2 . GLN C 3 75 ? 22.839 -108.074 3.223 1.00 76.46 ? 197 GLN C NE2 1 ATOM 7465 H H . GLN C 3 75 ? 20.563 -108.378 8.107 1.00 87.31 ? 197 GLN C H 1 ATOM 7466 H HA . GLN C 3 75 ? 20.093 -110.654 6.665 1.00 89.25 ? 197 GLN C HA 1 ATOM 7467 H HB2 . GLN C 3 75 ? 22.512 -109.187 6.867 1.00 95.62 ? 197 GLN C HB2 1 ATOM 7468 H HB3 . GLN C 3 75 ? 22.417 -110.606 6.165 1.00 95.62 ? 197 GLN C HB3 1 ATOM 7469 H HG2 . GLN C 3 75 ? 20.920 -109.605 4.592 1.00 97.89 ? 197 GLN C HG2 1 ATOM 7470 H HG3 . GLN C 3 75 ? 21.333 -108.199 5.211 1.00 97.89 ? 197 GLN C HG3 1 ATOM 7471 H HE21 . GLN C 3 75 ? 22.189 -107.511 3.191 1.00 91.75 ? 197 GLN C HE21 1 ATOM 7472 H HE22 . GLN C 3 75 ? 23.498 -108.000 2.676 1.00 91.75 ? 197 GLN C HE22 1 ATOM 7473 N N . THR C 3 76 ? 20.997 -112.247 8.334 1.00 80.06 ? 198 THR C N 1 ATOM 7474 C CA . THR C 3 76 ? 21.260 -113.108 9.479 1.00 84.95 ? 198 THR C CA 1 ATOM 7475 C C . THR C 3 76 ? 22.355 -114.128 9.189 1.00 88.02 ? 198 THR C C 1 ATOM 7476 O O . THR C 3 76 ? 22.436 -114.678 8.091 1.00 90.31 ? 198 THR C O 1 ATOM 7477 C CB . THR C 3 76 ? 19.986 -113.853 9.913 1.00 81.96 ? 198 THR C CB 1 ATOM 7478 O OG1 . THR C 3 76 ? 18.948 -112.904 10.190 1.00 82.04 ? 198 THR C OG1 1 ATOM 7479 C CG2 . THR C 3 76 ? 20.249 -114.689 11.156 1.00 84.27 ? 198 THR C CG2 1 ATOM 7480 H H . THR C 3 76 ? 20.758 -112.667 7.623 1.00 96.07 ? 198 THR C H 1 ATOM 7481 H HA . THR C 3 76 ? 21.557 -112.554 10.231 1.00 101.94 ? 198 THR C HA 1 ATOM 7482 H HB . THR C 3 76 ? 19.699 -114.445 9.201 1.00 98.36 ? 198 THR C HB 1 ATOM 7483 H HG1 . THR C 3 76 ? 18.265 -113.294 10.422 1.00 98.45 ? 198 THR C HG1 1 ATOM 7484 H HG21 . THR C 3 76 ? 19.447 -115.148 11.417 1.00 101.13 ? 198 THR C HG21 1 ATOM 7485 H HG22 . THR C 3 76 ? 20.935 -115.336 10.976 1.00 101.13 ? 198 THR C HG22 1 ATOM 7486 H HG23 . THR C 3 76 ? 20.534 -114.124 11.877 1.00 101.13 ? 198 THR C HG23 1 ATOM 7487 N N . THR C 3 77 ? 23.197 -114.367 10.189 1.00 94.98 ? 199 THR C N 1 ATOM 7488 C CA . THR C 3 77 ? 24.246 -115.374 10.098 1.00 103.57 ? 199 THR C CA 1 ATOM 7489 C C . THR C 3 77 ? 24.304 -116.156 11.405 1.00 105.89 ? 199 THR C C 1 ATOM 7490 O O . THR C 3 77 ? 23.675 -115.775 12.392 1.00 102.44 ? 199 THR C O 1 ATOM 7491 C CB . THR C 3 77 ? 25.620 -114.738 9.834 1.00 111.89 ? 199 THR C CB 1 ATOM 7492 O OG1 . THR C 3 77 ? 26.074 -114.063 11.014 1.00 115.31 ? 199 THR C OG1 1 ATOM 7493 C CG2 . THR C 3 77 ? 25.540 -113.749 8.679 1.00 112.23 ? 199 THR C CG2 1 ATOM 7494 H H . THR C 3 77 ? 23.180 -113.952 10.942 1.00 113.98 ? 199 THR C H 1 ATOM 7495 H HA . THR C 3 77 ? 24.043 -115.997 9.369 1.00 124.28 ? 199 THR C HA 1 ATOM 7496 H HB . THR C 3 77 ? 26.255 -115.432 9.598 1.00 134.27 ? 199 THR C HB 1 ATOM 7497 H HG1 . THR C 3 77 ? 26.807 -113.722 10.877 1.00 138.37 ? 199 THR C HG1 1 ATOM 7498 H HG21 . THR C 3 77 ? 26.403 -113.357 8.523 1.00 134.68 ? 199 THR C HG21 1 ATOM 7499 H HG22 . THR C 3 77 ? 25.252 -114.199 7.882 1.00 134.68 ? 199 THR C HG22 1 ATOM 7500 H HG23 . THR C 3 77 ? 24.914 -113.052 8.888 1.00 134.68 ? 199 THR C HG23 1 ATOM 7501 N N . THR C 3 78 ? 25.059 -117.249 11.410 1.00 112.68 ? 200 THR C N 1 ATOM 7502 C CA . THR C 3 78 ? 25.153 -118.098 12.590 1.00 122.08 ? 200 THR C CA 1 ATOM 7503 C C . THR C 3 78 ? 26.537 -118.722 12.722 1.00 136.95 ? 200 THR C C 1 ATOM 7504 O O . THR C 3 78 ? 26.844 -119.711 12.059 1.00 142.97 ? 200 THR C O 1 ATOM 7505 C CB . THR C 3 78 ? 24.108 -119.233 12.544 1.00 119.20 ? 200 THR C CB 1 ATOM 7506 O OG1 . THR C 3 78 ? 24.414 -120.130 11.469 1.00 123.19 ? 200 THR C OG1 1 ATOM 7507 C CG2 . THR C 3 78 ? 22.711 -118.671 12.341 1.00 111.24 ? 200 THR C CG2 1 ATOM 7508 H H . THR C 3 78 ? 25.528 -117.521 10.742 1.00 135.21 ? 200 THR C H 1 ATOM 7509 H HA . THR C 3 78 ? 24.983 -117.557 13.390 1.00 146.49 ? 200 THR C HA 1 ATOM 7510 H HB . THR C 3 78 ? 24.123 -119.719 13.383 1.00 143.04 ? 200 THR C HB 1 ATOM 7511 H HG1 . THR C 3 78 ? 25.159 -120.456 11.579 1.00 147.83 ? 200 THR C HG1 1 ATOM 7512 H HG21 . THR C 3 78 ? 22.071 -119.386 12.314 1.00 133.49 ? 200 THR C HG21 1 ATOM 7513 H HG22 . THR C 3 78 ? 22.487 -118.079 13.063 1.00 133.49 ? 200 THR C HG22 1 ATOM 7514 H HG23 . THR C 3 78 ? 22.670 -118.184 11.515 1.00 133.49 ? 200 THR C HG23 1 ATOM 7515 N N . THR C 3 79 ? 27.373 -118.140 13.576 1.00 143.74 ? 201 THR C N 1 ATOM 7516 C CA . THR C 3 79 ? 28.665 -118.740 13.889 1.00 150.90 ? 201 THR C CA 1 ATOM 7517 C C . THR C 3 79 ? 28.490 -119.716 15.046 1.00 146.17 ? 201 THR C C 1 ATOM 7518 O O . THR C 3 79 ? 27.783 -119.429 16.012 1.00 138.15 ? 201 THR C O 1 ATOM 7519 C CB . THR C 3 79 ? 29.730 -117.685 14.256 1.00 161.77 ? 201 THR C CB 1 ATOM 7520 O OG1 . THR C 3 79 ? 29.419 -117.093 15.524 1.00 166.25 ? 201 THR C OG1 1 ATOM 7521 C CG2 . THR C 3 79 ? 29.808 -116.605 13.185 1.00 162.36 ? 201 THR C CG2 1 ATOM 7522 H H . THR C 3 79 ? 27.216 -117.401 13.987 1.00 172.49 ? 201 THR C H 1 ATOM 7523 H HA . THR C 3 79 ? 28.985 -119.241 13.110 1.00 181.08 ? 201 THR C HA 1 ATOM 7524 H HB . THR C 3 79 ? 30.597 -118.117 14.311 1.00 194.13 ? 201 THR C HB 1 ATOM 7525 H HG1 . THR C 3 79 ? 28.685 -116.729 15.491 1.00 199.50 ? 201 THR C HG1 1 ATOM 7526 H HG21 . THR C 3 79 ? 30.473 -115.955 13.423 1.00 194.84 ? 201 THR C HG21 1 ATOM 7527 H HG22 . THR C 3 79 ? 30.042 -116.996 12.341 1.00 194.84 ? 201 THR C HG22 1 ATOM 7528 H HG23 . THR C 3 79 ? 28.958 -116.166 13.101 1.00 194.84 ? 201 THR C HG23 1 ATOM 7529 N N . GLU C 3 80 ? 29.139 -120.870 14.940 1.00 153.20 ? 202 GLU C N 1 ATOM 7530 C CA . GLU C 3 80 ? 28.951 -121.946 15.905 1.00 163.86 ? 202 GLU C CA 1 ATOM 7531 C C . GLU C 3 80 ? 29.959 -121.846 17.044 1.00 168.43 ? 202 GLU C C 1 ATOM 7532 O O . GLU C 3 80 ? 31.147 -121.617 16.819 1.00 168.87 ? 202 GLU C O 1 ATOM 7533 C CB . GLU C 3 80 ? 29.069 -123.306 15.213 1.00 172.72 ? 202 GLU C CB 1 ATOM 7534 C CG . GLU C 3 80 ? 27.966 -123.587 14.199 1.00 178.57 ? 202 GLU C CG 1 ATOM 7535 C CD . GLU C 3 80 ? 27.935 -122.584 13.061 1.00 181.73 ? 202 GLU C CD 1 ATOM 7536 O OE1 . GLU C 3 80 ? 28.926 -121.844 12.890 1.00 183.63 ? 202 GLU C OE1 1 ATOM 7537 O OE2 . GLU C 3 80 ? 26.918 -122.532 12.338 1.00 181.91 ? 202 GLU C OE2 1 ATOM 7538 H H . GLU C 3 80 ? 29.697 -121.056 14.313 1.00 183.84 ? 202 GLU C H 1 ATOM 7539 H HA . GLU C 3 80 ? 28.052 -121.877 16.289 1.00 196.63 ? 202 GLU C HA 1 ATOM 7540 H HB2 . GLU C 3 80 ? 29.917 -123.344 14.744 1.00 207.26 ? 202 GLU C HB2 1 ATOM 7541 H HB3 . GLU C 3 80 ? 29.035 -124.002 15.887 1.00 207.26 ? 202 GLU C HB3 1 ATOM 7542 H HG2 . GLU C 3 80 ? 28.105 -124.468 13.818 1.00 214.28 ? 202 GLU C HG2 1 ATOM 7543 H HG3 . GLU C 3 80 ? 27.107 -123.554 14.650 1.00 214.28 ? 202 GLU C HG3 1 ATOM 7544 N N . ALA C 3 81 ? 29.471 -122.018 18.268 1.00 173.40 ? 203 ALA C N 1 ATOM 7545 C CA . ALA C 3 81 ? 30.313 -121.934 19.454 1.00 179.97 ? 203 ALA C CA 1 ATOM 7546 C C . ALA C 3 81 ? 29.840 -122.941 20.504 1.00 185.45 ? 203 ALA C C 1 ATOM 7547 O O . ALA C 3 81 ? 29.263 -123.973 20.164 1.00 193.28 ? 203 ALA C O 1 ATOM 7548 C CB . ALA C 3 81 ? 30.287 -120.518 20.011 1.00 178.57 ? 203 ALA C CB 1 ATOM 7549 H H . ALA C 3 81 ? 28.645 -122.187 18.439 1.00 208.08 ? 203 ALA C H 1 ATOM 7550 H HA . ALA C 3 81 ? 31.237 -122.153 19.212 1.00 215.96 ? 203 ALA C HA 1 ATOM 7551 H HB1 . ALA C 3 81 ? 30.846 -120.480 20.791 1.00 214.28 ? 203 ALA C HB1 1 ATOM 7552 H HB2 . ALA C 3 81 ? 30.616 -119.914 19.342 1.00 214.28 ? 203 ALA C HB2 1 ATOM 7553 H HB3 . ALA C 3 81 ? 29.384 -120.291 20.243 1.00 214.28 ? 203 ALA C HB3 1 ATOM 7554 N N . VAL C 3 82 ? 30.092 -122.644 21.776 1.00 178.23 ? 204 VAL C N 1 ATOM 7555 C CA . VAL C 3 82 ? 29.690 -123.533 22.863 1.00 168.37 ? 204 VAL C CA 1 ATOM 7556 C C . VAL C 3 82 ? 28.852 -122.813 23.923 1.00 168.60 ? 204 VAL C C 1 ATOM 7557 O O . VAL C 3 82 ? 27.973 -123.417 24.537 1.00 170.15 ? 204 VAL C O 1 ATOM 7558 C CB . VAL C 3 82 ? 30.923 -124.170 23.540 1.00 157.03 ? 204 VAL C CB 1 ATOM 7559 C CG1 . VAL C 3 82 ? 30.496 -125.232 24.544 1.00 150.83 ? 204 VAL C CG1 1 ATOM 7560 C CG2 . VAL C 3 82 ? 31.851 -124.768 22.493 1.00 155.73 ? 204 VAL C CG2 1 ATOM 7561 H H . VAL C 3 82 ? 30.496 -121.931 22.038 1.00 213.88 ? 204 VAL C H 1 ATOM 7562 H HA . VAL C 3 82 ? 29.144 -124.257 22.492 1.00 202.04 ? 204 VAL C HA 1 ATOM 7563 H HB . VAL C 3 82 ? 31.418 -123.476 24.024 1.00 188.44 ? 204 VAL C HB 1 ATOM 7564 H HG11 . VAL C 3 82 ? 31.279 -125.612 24.950 1.00 180.99 ? 204 VAL C HG11 1 ATOM 7565 H HG12 . VAL C 3 82 ? 29.944 -124.823 25.215 1.00 180.99 ? 204 VAL C HG12 1 ATOM 7566 H HG13 . VAL C 3 82 ? 30.001 -125.915 24.085 1.00 180.99 ? 204 VAL C HG13 1 ATOM 7567 H HG21 . VAL C 3 82 ? 32.610 -125.158 22.934 1.00 186.88 ? 204 VAL C HG21 1 ATOM 7568 H HG22 . VAL C 3 82 ? 31.375 -125.442 22.002 1.00 186.88 ? 204 VAL C HG22 1 ATOM 7569 H HG23 . VAL C 3 82 ? 32.140 -124.072 21.898 1.00 186.88 ? 204 VAL C HG23 1 ATOM 7570 N N . ASP C 3 83 ? 29.124 -121.527 24.135 1.00 165.51 ? 205 ASP C N 1 ATOM 7571 C CA . ASP C 3 83 ? 28.396 -120.745 25.129 1.00 160.83 ? 205 ASP C CA 1 ATOM 7572 C C . ASP C 3 83 ? 28.037 -119.364 24.590 1.00 153.05 ? 205 ASP C C 1 ATOM 7573 O O . ASP C 3 83 ? 28.484 -118.974 23.510 1.00 152.13 ? 205 ASP C O 1 ATOM 7574 C CB . ASP C 3 83 ? 29.229 -120.598 26.403 1.00 160.82 ? 205 ASP C CB 1 ATOM 7575 C CG . ASP C 3 83 ? 30.559 -119.911 26.154 1.00 157.17 ? 205 ASP C CG 1 ATOM 7576 O OD1 . ASP C 3 83 ? 30.761 -119.387 25.038 1.00 153.88 ? 205 ASP C OD1 1 ATOM 7577 O OD2 . ASP C 3 83 ? 31.400 -119.889 27.076 1.00 157.79 ? 205 ASP C OD2 1 ATOM 7578 H H . ASP C 3 83 ? 29.727 -121.083 23.713 1.00 198.61 ? 205 ASP C H 1 ATOM 7579 H HA . ASP C 3 83 ? 27.564 -121.210 25.359 1.00 193.00 ? 205 ASP C HA 1 ATOM 7580 H HB2 . ASP C 3 83 ? 28.733 -120.068 27.046 1.00 192.98 ? 205 ASP C HB2 1 ATOM 7581 H HB3 . ASP C 3 83 ? 29.410 -121.479 26.767 1.00 192.98 ? 205 ASP C HB3 1 ATOM 7582 N N . ALA C 3 84 ? 27.235 -118.625 25.354 1.00 143.46 ? 206 ALA C N 1 ATOM 7583 C CA . ALA C 3 84 ? 26.795 -117.290 24.954 1.00 126.38 ? 206 ALA C CA 1 ATOM 7584 C C . ALA C 3 84 ? 27.857 -116.230 25.237 1.00 124.00 ? 206 ALA C C 1 ATOM 7585 O O . ALA C 3 84 ? 27.572 -115.032 25.221 1.00 122.49 ? 206 ALA C O 1 ATOM 7586 C CB . ALA C 3 84 ? 25.492 -116.936 25.653 1.00 117.69 ? 206 ALA C CB 1 ATOM 7587 H H . ALA C 3 84 ? 26.929 -118.877 26.117 1.00 172.15 ? 206 ALA C H 1 ATOM 7588 H HA . ALA C 3 84 ? 26.625 -117.291 23.989 1.00 151.66 ? 206 ALA C HA 1 ATOM 7589 H HB1 . ALA C 3 84 ? 25.219 -116.058 25.378 1.00 141.23 ? 206 ALA C HB1 1 ATOM 7590 H HB2 . ALA C 3 84 ? 24.822 -117.579 25.408 1.00 141.23 ? 206 ALA C HB2 1 ATOM 7591 H HB3 . ALA C 3 84 ? 25.632 -116.954 26.602 1.00 141.23 ? 206 ALA C HB3 1 ATOM 7592 N N . ALA C 3 85 ? 29.079 -116.679 25.500 1.00 124.68 ? 207 ALA C N 1 ATOM 7593 C CA . ALA C 3 85 ? 30.208 -115.777 25.660 1.00 126.30 ? 207 ALA C CA 1 ATOM 7594 C C . ALA C 3 85 ? 31.006 -115.754 24.364 1.00 133.68 ? 207 ALA C C 1 ATOM 7595 O O . ALA C 3 85 ? 31.109 -114.720 23.706 1.00 126.99 ? 207 ALA C O 1 ATOM 7596 C CB . ALA C 3 85 ? 31.082 -116.224 26.818 1.00 127.05 ? 207 ALA C CB 1 ATOM 7597 H H . ALA C 3 85 ? 29.281 -117.510 25.592 1.00 149.61 ? 207 ALA C H 1 ATOM 7598 H HA . ALA C 3 85 ? 29.883 -114.871 25.844 1.00 151.56 ? 207 ALA C HA 1 ATOM 7599 H HB1 . ALA C 3 85 ? 31.819 -115.615 26.905 1.00 152.46 ? 207 ALA C HB1 1 ATOM 7600 H HB2 . ALA C 3 85 ? 30.558 -116.222 27.622 1.00 152.46 ? 207 ALA C HB2 1 ATOM 7601 H HB3 . ALA C 3 85 ? 31.407 -117.109 26.640 1.00 152.46 ? 207 ALA C HB3 1 ATOM 7602 N N . THR C 3 86 ? 31.553 -116.909 23.995 1.00 151.44 ? 208 THR C N 1 ATOM 7603 C CA . THR C 3 86 ? 32.329 -117.038 22.767 1.00 166.87 ? 208 THR C CA 1 ATOM 7604 C C . THR C 3 86 ? 31.528 -116.500 21.590 1.00 169.35 ? 208 THR C C 1 ATOM 7605 O O . THR C 3 86 ? 32.073 -115.850 20.700 1.00 172.87 ? 208 THR C O 1 ATOM 7606 C CB . THR C 3 86 ? 32.709 -118.505 22.485 1.00 177.11 ? 208 THR C CB 1 ATOM 7607 O OG1 . THR C 3 86 ? 33.491 -119.023 23.569 1.00 183.73 ? 208 THR C OG1 1 ATOM 7608 C CG2 . THR C 3 86 ? 33.516 -118.612 21.198 1.00 178.03 ? 208 THR C CG2 1 ATOM 7609 H H . THR C 3 86 ? 31.487 -117.639 24.444 1.00 181.73 ? 208 THR C H 1 ATOM 7610 H HA . THR C 3 86 ? 33.154 -116.514 22.846 1.00 200.24 ? 208 THR C HA 1 ATOM 7611 H HB . THR C 3 86 ? 31.902 -119.035 22.386 1.00 212.53 ? 208 THR C HB 1 ATOM 7612 H HG1 . THR C 3 86 ? 33.061 -118.988 24.266 1.00 220.47 ? 208 THR C HG1 1 ATOM 7613 H HG21 . THR C 3 86 ? 33.747 -119.528 21.031 1.00 213.64 ? 208 THR C HG21 1 ATOM 7614 H HG22 . THR C 3 86 ? 33.000 -118.280 20.459 1.00 213.64 ? 208 THR C HG22 1 ATOM 7615 H HG23 . THR C 3 86 ? 34.321 -118.095 21.272 1.00 213.64 ? 208 THR C HG23 1 ATOM 7616 N N . ALA C 3 87 ? 30.229 -116.779 21.589 1.00 164.48 ? 209 ALA C N 1 ATOM 7617 C CA . ALA C 3 87 ? 29.337 -116.238 20.574 1.00 152.86 ? 209 ALA C CA 1 ATOM 7618 C C . ALA C 3 87 ? 29.408 -114.716 20.593 1.00 138.60 ? 209 ALA C C 1 ATOM 7619 O O . ALA C 3 87 ? 29.638 -114.083 19.562 1.00 137.04 ? 209 ALA C O 1 ATOM 7620 C CB . ALA C 3 87 ? 27.919 -116.700 20.823 1.00 154.67 ? 209 ALA C CB 1 ATOM 7621 H H . ALA C 3 87 ? 29.839 -117.282 22.167 1.00 197.38 ? 209 ALA C H 1 ATOM 7622 H HA . ALA C 3 87 ? 29.617 -116.552 19.689 1.00 183.43 ? 209 ALA C HA 1 ATOM 7623 H HB1 . ALA C 3 87 ? 27.348 -116.333 20.145 1.00 185.61 ? 209 ALA C HB1 1 ATOM 7624 H HB2 . ALA C 3 87 ? 27.893 -117.659 20.790 1.00 185.61 ? 209 ALA C HB2 1 ATOM 7625 H HB3 . ALA C 3 87 ? 27.639 -116.394 21.689 1.00 185.61 ? 209 ALA C HB3 1 ATOM 7626 N N . ALA C 3 88 ? 29.212 -114.137 21.774 1.00 129.24 ? 210 ALA C N 1 ATOM 7627 C CA . ALA C 3 88 ? 29.287 -112.691 21.941 1.00 124.55 ? 210 ALA C CA 1 ATOM 7628 C C . ALA C 3 88 ? 30.615 -112.157 21.412 1.00 127.73 ? 210 ALA C C 1 ATOM 7629 O O . ALA C 3 88 ? 30.677 -111.048 20.882 1.00 124.15 ? 210 ALA C O 1 ATOM 7630 C CB . ALA C 3 88 ? 29.103 -112.314 23.407 1.00 124.22 ? 210 ALA C CB 1 ATOM 7631 H H . ALA C 3 88 ? 29.033 -114.564 22.499 1.00 155.08 ? 210 ALA C H 1 ATOM 7632 H HA . ALA C 3 88 ? 28.565 -112.272 21.428 1.00 149.46 ? 210 ALA C HA 1 ATOM 7633 H HB1 . ALA C 3 88 ? 29.156 -111.359 23.493 1.00 149.07 ? 210 ALA C HB1 1 ATOM 7634 H HB2 . ALA C 3 88 ? 28.244 -112.623 23.704 1.00 149.07 ? 210 ALA C HB2 1 ATOM 7635 H HB3 . ALA C 3 88 ? 29.797 -112.729 23.925 1.00 149.07 ? 210 ALA C HB3 1 ATOM 7636 N N . LYS C 3 89 ? 31.673 -112.949 21.556 1.00 136.51 ? 211 LYS C N 1 ATOM 7637 C CA . LYS C 3 89 ? 32.982 -112.576 21.030 1.00 141.65 ? 211 LYS C CA 1 ATOM 7638 C C . LYS C 3 89 ? 32.972 -112.559 19.507 1.00 140.98 ? 211 LYS C C 1 ATOM 7639 O O . LYS C 3 89 ? 33.137 -111.509 18.891 1.00 138.83 ? 211 LYS C O 1 ATOM 7640 C CB . LYS C 3 89 ? 34.063 -113.545 21.515 1.00 147.72 ? 211 LYS C CB 1 ATOM 7641 C CG . LYS C 3 89 ? 34.703 -113.172 22.837 1.00 150.41 ? 211 LYS C CG 1 ATOM 7642 C CD . LYS C 3 89 ? 33.721 -113.282 23.990 1.00 149.51 ? 211 LYS C CD 1 ATOM 7643 C CE . LYS C 3 89 ? 34.418 -113.142 25.333 1.00 148.77 ? 211 LYS C CE 1 ATOM 7644 N NZ . LYS C 3 89 ? 35.335 -114.286 25.607 1.00 149.17 ? 211 LYS C NZ 1 ATOM 7645 H H . LYS C 3 89 ? 31.660 -113.711 21.956 1.00 163.81 ? 211 LYS C H 1 ATOM 7646 H HA . LYS C 3 89 ? 33.213 -111.677 21.345 1.00 169.98 ? 211 LYS C HA 1 ATOM 7647 H HB2 . LYS C 3 89 ? 33.666 -114.424 21.619 1.00 177.26 ? 211 LYS C HB2 1 ATOM 7648 H HB3 . LYS C 3 89 ? 34.766 -113.583 20.848 1.00 177.26 ? 211 LYS C HB3 1 ATOM 7649 H HG2 . LYS C 3 89 ? 35.445 -113.771 23.012 1.00 180.49 ? 211 LYS C HG2 1 ATOM 7650 H HG3 . LYS C 3 89 ? 35.016 -112.255 22.792 1.00 180.49 ? 211 LYS C HG3 1 ATOM 7651 H HD2 . LYS C 3 89 ? 33.060 -112.575 23.916 1.00 179.41 ? 211 LYS C HD2 1 ATOM 7652 H HD3 . LYS C 3 89 ? 33.289 -114.150 23.960 1.00 179.41 ? 211 LYS C HD3 1 ATOM 7653 H HE2 . LYS C 3 89 ? 34.943 -112.326 25.337 1.00 178.52 ? 211 LYS C HE2 1 ATOM 7654 H HE3 . LYS C 3 89 ? 33.751 -113.114 26.037 1.00 178.52 ? 211 LYS C HE3 1 ATOM 7655 H HZ1 . LYS C 3 89 ? 35.961 -114.331 24.977 1.00 179.01 ? 211 LYS C HZ1 1 ATOM 7656 H HZ2 . LYS C 3 89 ? 35.728 -114.178 26.398 1.00 179.01 ? 211 LYS C HZ2 1 ATOM 7657 H HZ3 . LYS C 3 89 ? 34.876 -115.048 25.614 1.00 179.01 ? 211 LYS C HZ3 1 ATOM 7658 N N . VAL C 3 90 ? 32.775 -113.731 18.910 1.00 143.55 ? 212 VAL C N 1 ATOM 7659 C CA . VAL C 3 90 ? 32.818 -113.873 17.458 1.00 144.73 ? 212 VAL C CA 1 ATOM 7660 C C . VAL C 3 90 ? 31.871 -112.886 16.784 1.00 151.14 ? 212 VAL C C 1 ATOM 7661 O O . VAL C 3 90 ? 32.146 -112.401 15.685 1.00 154.60 ? 212 VAL C O 1 ATOM 7662 C CB . VAL C 3 90 ? 32.445 -115.306 17.015 1.00 139.01 ? 212 VAL C CB 1 ATOM 7663 C CG1 . VAL C 3 90 ? 32.483 -115.421 15.498 1.00 136.57 ? 212 VAL C CG1 1 ATOM 7664 C CG2 . VAL C 3 90 ? 33.386 -116.328 17.644 1.00 137.95 ? 212 VAL C CG2 1 ATOM 7665 H H . VAL C 3 90 ? 32.613 -114.465 19.327 1.00 172.26 ? 212 VAL C H 1 ATOM 7666 H HA . VAL C 3 90 ? 33.727 -113.685 17.145 1.00 173.68 ? 212 VAL C HA 1 ATOM 7667 H HB . VAL C 3 90 ? 31.534 -115.507 17.313 1.00 166.81 ? 212 VAL C HB 1 ATOM 7668 H HG11 . VAL C 3 90 ? 32.249 -116.317 15.247 1.00 163.88 ? 212 VAL C HG11 1 ATOM 7669 H HG12 . VAL C 3 90 ? 31.854 -114.800 15.122 1.00 163.88 ? 212 VAL C HG12 1 ATOM 7670 H HG13 . VAL C 3 90 ? 33.369 -115.215 15.191 1.00 163.88 ? 212 VAL C HG13 1 ATOM 7671 H HG21 . VAL C 3 90 ? 33.132 -117.207 17.352 1.00 165.54 ? 212 VAL C HG21 1 ATOM 7672 H HG22 . VAL C 3 90 ? 34.285 -116.137 17.366 1.00 165.54 ? 212 VAL C HG22 1 ATOM 7673 H HG23 . VAL C 3 90 ? 33.318 -116.268 18.599 1.00 165.54 ? 212 VAL C HG23 1 ATOM 7674 N N . PHE C 3 91 ? 30.758 -112.588 17.446 1.00 151.59 ? 213 PHE C N 1 ATOM 7675 C CA . PHE C 3 91 ? 29.769 -111.664 16.902 1.00 146.66 ? 213 PHE C CA 1 ATOM 7676 C C . PHE C 3 91 ? 30.207 -110.209 17.067 1.00 146.60 ? 213 PHE C C 1 ATOM 7677 O O . PHE C 3 91 ? 29.716 -109.323 16.368 1.00 143.75 ? 213 PHE C O 1 ATOM 7678 C CB . PHE C 3 91 ? 28.406 -111.894 17.560 1.00 142.14 ? 213 PHE C CB 1 ATOM 7679 C CG . PHE C 3 91 ? 27.701 -113.134 17.081 1.00 138.56 ? 213 PHE C CG 1 ATOM 7680 C CD1 . PHE C 3 91 ? 27.729 -113.492 15.742 1.00 133.93 ? 213 PHE C CD1 1 ATOM 7681 C CD2 . PHE C 3 91 ? 27.012 -113.943 17.968 1.00 140.55 ? 213 PHE C CD2 1 ATOM 7682 C CE1 . PHE C 3 91 ? 27.080 -114.627 15.299 1.00 134.03 ? 213 PHE C CE1 1 ATOM 7683 C CE2 . PHE C 3 91 ? 26.363 -115.083 17.530 1.00 140.48 ? 213 PHE C CE2 1 ATOM 7684 C CZ . PHE C 3 91 ? 26.398 -115.424 16.194 1.00 137.41 ? 213 PHE C CZ 1 ATOM 7685 H H . PHE C 3 91 ? 30.551 -112.909 18.217 1.00 181.90 ? 213 PHE C H 1 ATOM 7686 H HA . PHE C 3 91 ? 29.670 -111.839 15.942 1.00 175.99 ? 213 PHE C HA 1 ATOM 7687 H HB2 . PHE C 3 91 ? 28.532 -111.977 18.519 1.00 170.56 ? 213 PHE C HB2 1 ATOM 7688 H HB3 . PHE C 3 91 ? 27.834 -111.135 17.368 1.00 170.56 ? 213 PHE C HB3 1 ATOM 7689 H HD1 . PHE C 3 91 ? 28.187 -112.958 15.134 1.00 160.72 ? 213 PHE C HD1 1 ATOM 7690 H HD2 . PHE C 3 91 ? 26.985 -113.717 18.870 1.00 168.66 ? 213 PHE C HD2 1 ATOM 7691 H HE1 . PHE C 3 91 ? 27.107 -114.856 14.398 1.00 160.84 ? 213 PHE C HE1 1 ATOM 7692 H HE2 . PHE C 3 91 ? 25.903 -115.618 18.136 1.00 168.57 ? 213 PHE C HE2 1 ATOM 7693 H HZ . PHE C 3 91 ? 25.962 -116.190 15.898 1.00 164.89 ? 213 PHE C HZ 1 ATOM 7694 N N . LYS C 3 92 ? 31.124 -109.967 17.999 1.00 150.12 ? 214 LYS C N 1 ATOM 7695 C CA . LYS C 3 92 ? 31.748 -108.655 18.137 1.00 150.86 ? 214 LYS C CA 1 ATOM 7696 C C . LYS C 3 92 ? 33.006 -108.568 17.278 1.00 151.28 ? 214 LYS C C 1 ATOM 7697 O O . LYS C 3 92 ? 33.379 -107.489 16.819 1.00 146.71 ? 214 LYS C O 1 ATOM 7698 C CB . LYS C 3 92 ? 32.098 -108.367 19.597 1.00 153.85 ? 214 LYS C CB 1 ATOM 7699 C CG . LYS C 3 92 ? 30.923 -107.905 20.446 1.00 153.42 ? 214 LYS C CG 1 ATOM 7700 C CD . LYS C 3 92 ? 31.366 -107.539 21.857 1.00 153.86 ? 214 LYS C CD 1 ATOM 7701 C CE . LYS C 3 92 ? 30.199 -107.056 22.704 1.00 150.23 ? 214 LYS C CE 1 ATOM 7702 N NZ . LYS C 3 92 ? 30.618 -106.749 24.100 1.00 149.52 ? 214 LYS C NZ 1 ATOM 7703 H H . LYS C 3 92 ? 31.404 -110.550 18.567 1.00 180.14 ? 214 LYS C H 1 ATOM 7704 H HA . LYS C 3 92 ? 31.121 -107.967 17.831 1.00 181.04 ? 214 LYS C HA 1 ATOM 7705 H HB2 . LYS C 3 92 ? 32.451 -109.177 19.998 1.00 184.62 ? 214 LYS C HB2 1 ATOM 7706 H HB3 . LYS C 3 92 ? 32.772 -107.669 19.623 1.00 184.62 ? 214 LYS C HB3 1 ATOM 7707 H HG2 . LYS C 3 92 ? 30.523 -107.121 20.040 1.00 184.10 ? 214 LYS C HG2 1 ATOM 7708 H HG3 . LYS C 3 92 ? 30.272 -108.621 20.508 1.00 184.10 ? 214 LYS C HG3 1 ATOM 7709 H HD2 . LYS C 3 92 ? 31.749 -108.320 22.285 1.00 184.63 ? 214 LYS C HD2 1 ATOM 7710 H HD3 . LYS C 3 92 ? 32.023 -106.826 21.811 1.00 184.63 ? 214 LYS C HD3 1 ATOM 7711 H HE2 . LYS C 3 92 ? 29.834 -106.247 22.312 1.00 180.27 ? 214 LYS C HE2 1 ATOM 7712 H HE3 . LYS C 3 92 ? 29.521 -107.748 22.736 1.00 180.27 ? 214 LYS C HE3 1 ATOM 7713 H HZ1 . LYS C 3 92 ? 29.918 -106.469 24.572 1.00 179.42 ? 214 LYS C HZ1 1 ATOM 7714 H HZ2 . LYS C 3 92 ? 30.954 -107.478 24.484 1.00 179.42 ? 214 LYS C HZ2 1 ATOM 7715 H HZ3 . LYS C 3 92 ? 31.239 -106.111 24.098 1.00 179.42 ? 214 LYS C HZ3 1 ATOM 7716 N N . GLN C 3 93 ? 33.655 -109.710 17.061 1.00 156.66 ? 215 GLN C N 1 ATOM 7717 C CA . GLN C 3 93 ? 34.836 -109.775 16.207 1.00 158.09 ? 215 GLN C CA 1 ATOM 7718 C C . GLN C 3 93 ? 34.414 -109.986 14.754 1.00 157.71 ? 215 GLN C C 1 ATOM 7719 O O . GLN C 3 93 ? 35.222 -110.363 13.906 1.00 159.61 ? 215 GLN C O 1 ATOM 7720 C CB . GLN C 3 93 ? 35.767 -110.901 16.665 1.00 159.26 ? 215 GLN C CB 1 ATOM 7721 C CG . GLN C 3 93 ? 37.170 -110.837 16.075 1.00 157.17 ? 215 GLN C CG 1 ATOM 7722 C CD . GLN C 3 93 ? 37.900 -109.558 16.438 1.00 154.05 ? 215 GLN C CD 1 ATOM 7723 O OE1 . GLN C 3 93 ? 37.519 -108.855 17.374 1.00 154.03 ? 215 GLN C OE1 1 ATOM 7724 N NE2 . GLN C 3 93 ? 38.954 -109.247 15.692 1.00 151.96 ? 215 GLN C NE2 1 ATOM 7725 H H . GLN C 3 93 ? 33.428 -110.467 17.401 1.00 187.99 ? 215 GLN C H 1 ATOM 7726 H HA . GLN C 3 93 ? 35.325 -108.928 16.266 1.00 189.71 ? 215 GLN C HA 1 ATOM 7727 H HB2 . GLN C 3 93 ? 35.851 -110.860 17.631 1.00 191.12 ? 215 GLN C HB2 1 ATOM 7728 H HB3 . GLN C 3 93 ? 35.377 -111.750 16.407 1.00 191.12 ? 215 GLN C HB3 1 ATOM 7729 H HG2 . GLN C 3 93 ? 37.689 -111.585 16.412 1.00 188.61 ? 215 GLN C HG2 1 ATOM 7730 H HG3 . GLN C 3 93 ? 37.109 -110.884 15.108 1.00 188.61 ? 215 GLN C HG3 1 ATOM 7731 H HE21 . GLN C 3 93 ? 39.189 -109.761 15.044 1.00 182.35 ? 215 GLN C HE21 1 ATOM 7732 H HE22 . GLN C 3 93 ? 39.401 -108.531 15.858 1.00 182.35 ? 215 GLN C HE22 1 ATOM 7733 N N . TYR C 3 94 ? 33.135 -109.751 14.481 1.00 153.60 ? 216 TYR C N 1 ATOM 7734 C CA . TYR C 3 94 ? 32.613 -109.777 13.122 1.00 147.28 ? 216 TYR C CA 1 ATOM 7735 C C . TYR C 3 94 ? 32.135 -108.378 12.760 1.00 140.87 ? 216 TYR C C 1 ATOM 7736 O O . TYR C 3 94 ? 32.413 -107.873 11.671 1.00 138.65 ? 216 TYR C O 1 ATOM 7737 C CB . TYR C 3 94 ? 31.466 -110.777 13.005 1.00 146.11 ? 216 TYR C CB 1 ATOM 7738 C CG . TYR C 3 94 ? 30.797 -110.776 11.650 1.00 142.77 ? 216 TYR C CG 1 ATOM 7739 C CD1 . TYR C 3 94 ? 31.197 -111.658 10.656 1.00 142.24 ? 216 TYR C CD1 1 ATOM 7740 C CD2 . TYR C 3 94 ? 29.767 -109.889 11.363 1.00 140.32 ? 216 TYR C CD2 1 ATOM 7741 C CE1 . TYR C 3 94 ? 30.588 -111.660 9.415 1.00 140.22 ? 216 TYR C CE1 1 ATOM 7742 C CE2 . TYR C 3 94 ? 29.153 -109.883 10.125 1.00 138.15 ? 216 TYR C CE2 1 ATOM 7743 C CZ . TYR C 3 94 ? 29.567 -110.771 9.155 1.00 138.10 ? 216 TYR C CZ 1 ATOM 7744 O OH . TYR C 3 94 ? 28.958 -110.768 7.922 1.00 136.32 ? 216 TYR C OH 1 ATOM 7745 H H . TYR C 3 94 ? 32.540 -109.571 15.076 1.00 184.32 ? 216 TYR C H 1 ATOM 7746 H HA . TYR C 3 94 ? 33.324 -110.038 12.499 1.00 176.74 ? 216 TYR C HA 1 ATOM 7747 H HB2 . TYR C 3 94 ? 31.812 -111.669 13.165 1.00 175.34 ? 216 TYR C HB2 1 ATOM 7748 H HB3 . TYR C 3 94 ? 30.793 -110.561 13.669 1.00 175.34 ? 216 TYR C HB3 1 ATOM 7749 H HD1 . TYR C 3 94 ? 31.885 -112.259 10.828 1.00 170.69 ? 216 TYR C HD1 1 ATOM 7750 H HD2 . TYR C 3 94 ? 29.485 -109.290 12.016 1.00 168.38 ? 216 TYR C HD2 1 ATOM 7751 H HE1 . TYR C 3 94 ? 30.866 -112.257 8.759 1.00 168.26 ? 216 TYR C HE1 1 ATOM 7752 H HE2 . TYR C 3 94 ? 28.464 -109.284 9.948 1.00 165.78 ? 216 TYR C HE2 1 ATOM 7753 H HH . TYR C 3 94 ? 29.048 -110.035 7.566 1.00 163.58 ? 216 TYR C HH 1 ATOM 7754 N N . ALA C 3 95 ? 31.411 -107.754 13.684 1.00 137.84 ? 217 ALA C N 1 ATOM 7755 C CA . ALA C 3 95 ? 31.098 -106.338 13.573 1.00 134.38 ? 217 ALA C CA 1 ATOM 7756 C C . ALA C 3 95 ? 32.405 -105.554 13.543 1.00 142.07 ? 217 ALA C C 1 ATOM 7757 O O . ALA C 3 95 ? 32.428 -104.374 13.198 1.00 142.25 ? 217 ALA C O 1 ATOM 7758 C CB . ALA C 3 95 ? 30.231 -105.891 14.738 1.00 128.13 ? 217 ALA C CB 1 ATOM 7759 H H . ALA C 3 95 ? 31.089 -108.131 14.386 1.00 165.41 ? 217 ALA C H 1 ATOM 7760 H HA . ALA C 3 95 ? 30.613 -106.171 12.738 1.00 161.25 ? 217 ALA C HA 1 ATOM 7761 H HB1 . ALA C 3 95 ? 30.039 -104.956 14.643 1.00 153.76 ? 217 ALA C HB1 1 ATOM 7762 H HB2 . ALA C 3 95 ? 29.415 -106.396 14.731 1.00 153.76 ? 217 ALA C HB2 1 ATOM 7763 H HB3 . ALA C 3 95 ? 30.706 -106.047 15.558 1.00 153.76 ? 217 ALA C HB3 1 ATOM 7764 N N . ASN C 3 96 ? 33.490 -106.223 13.925 1.00 148.78 ? 218 ASN C N 1 ATOM 7765 C CA . ASN C 3 96 ? 34.833 -105.680 13.767 1.00 150.54 ? 218 ASN C CA 1 ATOM 7766 C C . ASN C 3 96 ? 35.295 -105.751 12.318 1.00 151.45 ? 218 ASN C C 1 ATOM 7767 O O . ASN C 3 96 ? 35.685 -104.742 11.729 1.00 155.90 ? 218 ASN C O 1 ATOM 7768 C CB . ASN C 3 96 ? 35.819 -106.450 14.643 1.00 150.73 ? 218 ASN C CB 1 ATOM 7769 C CG . ASN C 3 96 ? 35.998 -105.825 16.009 1.00 148.04 ? 218 ASN C CG 1 ATOM 7770 O OD1 . ASN C 3 96 ? 35.164 -105.043 16.464 1.00 144.31 ? 218 ASN C OD1 1 ATOM 7771 N ND2 . ASN C 3 96 ? 37.095 -106.168 16.671 1.00 150.20 ? 218 ASN C ND2 1 ATOM 7772 H H . ASN C 3 96 ? 33.472 -107.004 14.283 1.00 178.53 ? 218 ASN C H 1 ATOM 7773 H HA . ASN C 3 96 ? 34.839 -104.741 14.047 1.00 180.65 ? 218 ASN C HA 1 ATOM 7774 H HB2 . ASN C 3 96 ? 35.492 -107.355 14.767 1.00 180.87 ? 218 ASN C HB2 1 ATOM 7775 H HB3 . ASN C 3 96 ? 36.685 -106.466 14.205 1.00 180.87 ? 218 ASN C HB3 1 ATOM 7776 H HD21 . ASN C 3 96 ? 37.656 -106.716 16.319 1.00 180.24 ? 218 ASN C HD21 1 ATOM 7777 H HD22 . ASN C 3 96 ? 37.245 -105.841 17.452 1.00 180.24 ? 218 ASN C HD22 1 ATOM 7778 N N . ASP C 3 97 ? 35.242 -106.949 11.744 1.00 145.06 ? 219 ASP C N 1 ATOM 7779 C CA . ASP C 3 97 ? 35.655 -107.157 10.360 1.00 136.45 ? 219 ASP C CA 1 ATOM 7780 C C . ASP C 3 97 ? 34.695 -106.490 9.372 1.00 127.72 ? 219 ASP C C 1 ATOM 7781 O O . ASP C 3 97 ? 34.821 -106.659 8.159 1.00 126.71 ? 219 ASP C O 1 ATOM 7782 C CB . ASP C 3 97 ? 35.773 -108.653 10.058 1.00 137.28 ? 219 ASP C CB 1 ATOM 7783 C CG . ASP C 3 97 ? 36.914 -109.312 10.813 1.00 139.91 ? 219 ASP C CG 1 ATOM 7784 O OD1 . ASP C 3 97 ? 37.247 -108.844 11.924 1.00 141.71 ? 219 ASP C OD1 1 ATOM 7785 O OD2 . ASP C 3 97 ? 37.481 -110.299 10.296 1.00 140.60 ? 219 ASP C OD2 1 ATOM 7786 H H . ASP C 3 97 ? 34.968 -107.663 12.138 1.00 174.08 ? 219 ASP C H 1 ATOM 7787 H HA . ASP C 3 97 ? 36.540 -106.756 10.233 1.00 163.74 ? 219 ASP C HA 1 ATOM 7788 H HB2 . ASP C 3 97 ? 34.948 -109.094 10.314 1.00 164.74 ? 219 ASP C HB2 1 ATOM 7789 H HB3 . ASP C 3 97 ? 35.933 -108.772 9.109 1.00 164.74 ? 219 ASP C HB3 1 ATOM 7790 N N . ASN C 3 98 ? 33.734 -105.738 9.898 1.00 121.19 ? 220 ASN C N 1 ATOM 7791 C CA . ASN C 3 98 ? 32.852 -104.921 9.075 1.00 114.60 ? 220 ASN C CA 1 ATOM 7792 C C . ASN C 3 98 ? 32.587 -103.598 9.780 1.00 110.45 ? 220 ASN C C 1 ATOM 7793 O O . ASN C 3 98 ? 32.990 -103.415 10.928 1.00 106.99 ? 220 ASN C O 1 ATOM 7794 C CB . ASN C 3 98 ? 31.540 -105.656 8.802 1.00 116.33 ? 220 ASN C CB 1 ATOM 7795 C CG . ASN C 3 98 ? 31.694 -106.761 7.775 1.00 121.28 ? 220 ASN C CG 1 ATOM 7796 O OD1 . ASN C 3 98 ? 32.081 -107.882 8.104 1.00 123.89 ? 220 ASN C OD1 1 ATOM 7797 N ND2 . ASN C 3 98 ? 31.391 -106.448 6.521 1.00 122.60 ? 220 ASN C ND2 1 ATOM 7798 H H . ASN C 3 98 ? 33.571 -105.683 10.741 1.00 145.43 ? 220 ASN C H 1 ATOM 7799 H HA . ASN C 3 98 ? 33.288 -104.734 8.217 1.00 137.52 ? 220 ASN C HA 1 ATOM 7800 H HB2 . ASN C 3 98 ? 31.223 -106.055 9.627 1.00 139.59 ? 220 ASN C HB2 1 ATOM 7801 H HB3 . ASN C 3 98 ? 30.886 -105.023 8.466 1.00 139.59 ? 220 ASN C HB3 1 ATOM 7802 H HD21 . ASN C 3 98 ? 31.125 -105.653 6.328 1.00 147.12 ? 220 ASN C HD21 1 ATOM 7803 H HD22 . ASN C 3 98 ? 31.462 -107.039 5.901 1.00 147.12 ? 220 ASN C HD22 1 ATOM 7804 N N . GLY C 3 99 ? 31.920 -102.673 9.096 1.00 113.09 ? 221 GLY C N 1 ATOM 7805 C CA . GLY C 3 99 ? 31.611 -101.380 9.681 1.00 114.71 ? 221 GLY C CA 1 ATOM 7806 C C . GLY C 3 99 ? 30.331 -101.417 10.494 1.00 113.24 ? 221 GLY C C 1 ATOM 7807 O O . GLY C 3 99 ? 29.515 -100.496 10.427 1.00 104.90 ? 221 GLY C O 1 ATOM 7808 H H . GLY C 3 99 ? 31.636 -102.773 8.291 1.00 135.70 ? 221 GLY C H 1 ATOM 7809 H HA2 . GLY C 3 99 ? 32.338 -101.104 10.261 1.00 137.65 ? 221 GLY C HA2 1 ATOM 7810 H HA3 . GLY C 3 99 ? 31.511 -100.721 8.976 1.00 137.65 ? 221 GLY C HA3 1 ATOM 7811 N N . ILE C 3 100 ? 30.160 -102.479 11.275 1.00 119.44 ? 222 ILE C N 1 ATOM 7812 C CA . ILE C 3 100 ? 28.926 -102.691 12.020 1.00 119.92 ? 222 ILE C CA 1 ATOM 7813 C C . ILE C 3 100 ? 29.077 -102.279 13.478 1.00 124.35 ? 222 ILE C C 1 ATOM 7814 O O . ILE C 3 100 ? 30.144 -102.431 14.075 1.00 126.33 ? 222 ILE C O 1 ATOM 7815 C CB . ILE C 3 100 ? 28.490 -104.168 11.975 1.00 116.07 ? 222 ILE C CB 1 ATOM 7816 C CG1 . ILE C 3 100 ? 28.668 -104.730 10.563 1.00 103.62 ? 222 ILE C CG1 1 ATOM 7817 C CG2 . ILE C 3 100 ? 27.047 -104.311 12.442 1.00 120.18 ? 222 ILE C CG2 1 ATOM 7818 C CD1 . ILE C 3 100 ? 28.344 -106.202 10.442 1.00 96.56 ? 222 ILE C CD1 1 ATOM 7819 H H . ILE C 3 100 ? 30.749 -103.096 11.391 1.00 143.33 ? 222 ILE C H 1 ATOM 7820 H HA . ILE C 3 100 ? 28.213 -102.150 11.621 1.00 143.91 ? 222 ILE C HA 1 ATOM 7821 H HB . ILE C 3 100 ? 29.058 -104.672 12.578 1.00 139.28 ? 222 ILE C HB 1 ATOM 7822 H HG12 . ILE C 3 100 ? 28.082 -104.248 9.959 1.00 124.34 ? 222 ILE C HG12 1 ATOM 7823 H HG13 . ILE C 3 100 ? 29.591 -104.607 10.293 1.00 124.34 ? 222 ILE C HG13 1 ATOM 7824 H HG21 . ILE C 3 100 ? 26.798 -105.238 12.406 1.00 144.22 ? 222 ILE C HG21 1 ATOM 7825 H HG22 . ILE C 3 100 ? 26.977 -103.988 13.344 1.00 144.22 ? 222 ILE C HG22 1 ATOM 7826 H HG23 . ILE C 3 100 ? 26.479 -103.796 11.865 1.00 144.22 ? 222 ILE C HG23 1 ATOM 7827 H HD11 . ILE C 3 100 ? 28.479 -106.478 9.532 1.00 115.87 ? 222 ILE C HD11 1 ATOM 7828 H HD12 . ILE C 3 100 ? 28.924 -106.698 11.025 1.00 115.87 ? 222 ILE C HD12 1 ATOM 7829 H HD13 . ILE C 3 100 ? 27.428 -106.342 10.694 1.00 115.87 ? 222 ILE C HD13 1 ATOM 7830 N N . ASP C 3 101 ? 27.992 -101.760 14.043 1.00 126.62 ? 223 ASP C N 1 ATOM 7831 C CA . ASP C 3 101 ? 27.957 -101.365 15.443 1.00 131.93 ? 223 ASP C CA 1 ATOM 7832 C C . ASP C 3 101 ? 26.508 -101.105 15.834 1.00 130.21 ? 223 ASP C C 1 ATOM 7833 O O . ASP C 3 101 ? 25.588 -101.615 15.194 1.00 131.29 ? 223 ASP C O 1 ATOM 7834 C CB . ASP C 3 101 ? 28.807 -100.114 15.670 1.00 135.54 ? 223 ASP C CB 1 ATOM 7835 C CG . ASP C 3 101 ? 28.197 -98.872 15.048 1.00 135.06 ? 223 ASP C CG 1 ATOM 7836 O OD1 . ASP C 3 101 ? 27.467 -98.148 15.757 1.00 134.40 ? 223 ASP C OD1 1 ATOM 7837 O OD2 . ASP C 3 101 ? 28.450 -98.619 13.851 1.00 134.51 ? 223 ASP C OD2 1 ATOM 7838 H H . ASP C 3 101 ? 27.252 -101.625 13.627 1.00 151.95 ? 223 ASP C H 1 ATOM 7839 H HA . ASP C 3 101 ? 28.309 -102.091 16.001 1.00 158.32 ? 223 ASP C HA 1 ATOM 7840 H HB2 . ASP C 3 101 ? 28.895 -99.959 16.624 1.00 162.65 ? 223 ASP C HB2 1 ATOM 7841 H HB3 . ASP C 3 101 ? 29.682 -100.249 15.274 1.00 162.65 ? 223 ASP C HB3 1 ATOM 7842 N N . GLY C 3 102 ? 26.302 -100.318 16.885 1.00 126.27 ? 224 GLY C N 1 ATOM 7843 C CA . GLY C 3 102 ? 24.963 -99.945 17.301 1.00 120.20 ? 224 GLY C CA 1 ATOM 7844 C C . GLY C 3 102 ? 24.477 -100.734 18.500 1.00 116.78 ? 224 GLY C C 1 ATOM 7845 O O . GLY C 3 102 ? 25.277 -101.234 19.289 1.00 117.75 ? 224 GLY C O 1 ATOM 7846 H H . GLY C 3 102 ? 26.928 -99.987 17.374 1.00 151.52 ? 224 GLY C H 1 ATOM 7847 H HA2 . GLY C 3 102 ? 24.947 -99.002 17.528 1.00 144.24 ? 224 GLY C HA2 1 ATOM 7848 H HA3 . GLY C 3 102 ? 24.346 -100.093 16.567 1.00 144.24 ? 224 GLY C HA3 1 ATOM 7849 N N . GLU C 3 103 ? 23.159 -100.847 18.632 1.00 112.31 ? 225 GLU C N 1 ATOM 7850 C CA . GLU C 3 103 ? 22.552 -101.510 19.781 1.00 109.08 ? 225 GLU C CA 1 ATOM 7851 C C . GLU C 3 103 ? 22.495 -103.024 19.588 1.00 103.79 ? 225 GLU C C 1 ATOM 7852 O O . GLU C 3 103 ? 22.370 -103.508 18.464 1.00 96.11 ? 225 GLU C O 1 ATOM 7853 C CB . GLU C 3 103 ? 21.142 -100.965 20.018 1.00 108.68 ? 225 GLU C CB 1 ATOM 7854 C CG . GLU C 3 103 ? 21.031 -99.455 19.867 1.00 104.98 ? 225 GLU C CG 1 ATOM 7855 C CD . GLU C 3 103 ? 19.909 -98.863 20.698 1.00 103.47 ? 225 GLU C CD 1 ATOM 7856 O OE1 . GLU C 3 103 ? 19.625 -99.399 21.790 1.00 105.40 ? 225 GLU C OE1 1 ATOM 7857 O OE2 . GLU C 3 103 ? 19.308 -97.860 20.258 1.00 100.68 ? 225 GLU C OE2 1 ATOM 7858 H H . GLU C 3 103 ? 22.589 -100.545 18.063 1.00 134.77 ? 225 GLU C H 1 ATOM 7859 H HA . GLU C 3 103 ? 23.089 -101.324 20.579 1.00 130.89 ? 225 GLU C HA 1 ATOM 7860 H HB2 . GLU C 3 103 ? 20.539 -101.372 19.377 1.00 130.42 ? 225 GLU C HB2 1 ATOM 7861 H HB3 . GLU C 3 103 ? 20.867 -101.193 20.920 1.00 130.42 ? 225 GLU C HB3 1 ATOM 7862 H HG2 . GLU C 3 103 ? 21.864 -99.047 20.153 1.00 125.98 ? 225 GLU C HG2 1 ATOM 7863 H HG3 . GLU C 3 103 ? 20.860 -99.242 18.936 1.00 125.98 ? 225 GLU C HG3 1 ATOM 7864 N N . TRP C 3 104 ? 22.575 -103.763 20.691 1.00 108.02 ? 226 TRP C N 1 ATOM 7865 C CA . TRP C 3 104 ? 22.597 -105.224 20.648 1.00 113.04 ? 226 TRP C CA 1 ATOM 7866 C C . TRP C 3 104 ? 21.494 -105.824 21.518 1.00 114.12 ? 226 TRP C C 1 ATOM 7867 O O . TRP C 3 104 ? 21.516 -105.687 22.741 1.00 117.07 ? 226 TRP C O 1 ATOM 7868 C CB . TRP C 3 104 ? 23.959 -105.746 21.114 1.00 119.56 ? 226 TRP C CB 1 ATOM 7869 C CG . TRP C 3 104 ? 25.106 -105.238 20.296 1.00 124.52 ? 226 TRP C CG 1 ATOM 7870 C CD1 . TRP C 3 104 ? 25.507 -103.941 20.168 1.00 126.50 ? 226 TRP C CD1 1 ATOM 7871 C CD2 . TRP C 3 104 ? 26.008 -106.016 19.499 1.00 128.16 ? 226 TRP C CD2 1 ATOM 7872 N NE1 . TRP C 3 104 ? 26.597 -103.860 19.336 1.00 128.09 ? 226 TRP C NE1 1 ATOM 7873 C CE2 . TRP C 3 104 ? 26.925 -105.122 18.912 1.00 128.95 ? 226 TRP C CE2 1 ATOM 7874 C CE3 . TRP C 3 104 ? 26.126 -107.383 19.222 1.00 130.90 ? 226 TRP C CE3 1 ATOM 7875 C CZ2 . TRP C 3 104 ? 27.947 -105.547 18.066 1.00 129.58 ? 226 TRP C CZ2 1 ATOM 7876 C CZ3 . TRP C 3 104 ? 27.143 -107.803 18.380 1.00 132.02 ? 226 TRP C CZ3 1 ATOM 7877 C CH2 . TRP C 3 104 ? 28.039 -106.888 17.813 1.00 131.08 ? 226 TRP C CH2 1 ATOM 7878 H H . TRP C 3 104 ? 22.619 -103.439 21.487 1.00 129.62 ? 226 TRP C H 1 ATOM 7879 H HA . TRP C 3 104 ? 22.455 -105.520 19.725 1.00 135.64 ? 226 TRP C HA 1 ATOM 7880 H HB2 . TRP C 3 104 ? 24.104 -105.469 22.032 1.00 143.47 ? 226 TRP C HB2 1 ATOM 7881 H HB3 . TRP C 3 104 ? 23.960 -106.714 21.057 1.00 143.47 ? 226 TRP C HB3 1 ATOM 7882 H HD1 . TRP C 3 104 ? 25.098 -103.215 20.581 1.00 151.80 ? 226 TRP C HD1 1 ATOM 7883 H HE1 . TRP C 3 104 ? 27.008 -103.137 19.119 1.00 153.71 ? 226 TRP C HE1 1 ATOM 7884 H HE3 . TRP C 3 104 ? 25.534 -107.996 19.594 1.00 157.07 ? 226 TRP C HE3 1 ATOM 7885 H HZ2 . TRP C 3 104 ? 28.544 -104.942 17.689 1.00 155.50 ? 226 TRP C HZ2 1 ATOM 7886 H HZ3 . TRP C 3 104 ? 27.232 -108.709 18.188 1.00 158.42 ? 226 TRP C HZ3 1 ATOM 7887 H HH2 . TRP C 3 104 ? 28.712 -107.199 17.252 1.00 157.30 ? 226 TRP C HH2 1 ATOM 7888 N N . THR C 3 105 ? 20.533 -106.489 20.881 1.00 110.63 ? 227 THR C N 1 ATOM 7889 C CA . THR C 3 105 ? 19.450 -107.162 21.595 1.00 107.41 ? 227 THR C CA 1 ATOM 7890 C C . THR C 3 105 ? 19.657 -108.672 21.564 1.00 110.89 ? 227 THR C C 1 ATOM 7891 O O . THR C 3 105 ? 20.114 -109.219 20.561 1.00 111.63 ? 227 THR C O 1 ATOM 7892 C CB . THR C 3 105 ? 18.076 -106.842 20.971 1.00 100.08 ? 227 THR C CB 1 ATOM 7893 O OG1 . THR C 3 105 ? 17.817 -105.435 21.063 1.00 97.71 ? 227 THR C OG1 1 ATOM 7894 C CG2 . THR C 3 105 ? 16.965 -107.609 21.680 1.00 98.83 ? 227 THR C CG2 1 ATOM 7895 H H . THR C 3 105 ? 20.484 -106.565 20.026 1.00 132.75 ? 227 THR C H 1 ATOM 7896 H HA . THR C 3 105 ? 19.443 -106.869 22.530 1.00 128.90 ? 227 THR C HA 1 ATOM 7897 H HB . THR C 3 105 ? 18.079 -107.106 20.038 1.00 120.10 ? 227 THR C HB 1 ATOM 7898 H HG1 . THR C 3 105 ? 17.088 -105.262 20.732 1.00 117.25 ? 227 THR C HG1 1 ATOM 7899 H HG21 . THR C 3 105 ? 16.117 -107.400 21.281 1.00 118.59 ? 227 THR C HG21 1 ATOM 7900 H HG22 . THR C 3 105 ? 17.120 -108.553 21.606 1.00 118.59 ? 227 THR C HG22 1 ATOM 7901 H HG23 . THR C 3 105 ? 16.941 -107.368 22.609 1.00 118.59 ? 227 THR C HG23 1 ATOM 7902 N N . TYR C 3 106 ? 19.314 -109.344 22.661 1.00 111.75 ? 228 TYR C N 1 ATOM 7903 C CA . TYR C 3 106 ? 19.496 -110.790 22.757 1.00 108.84 ? 228 TYR C CA 1 ATOM 7904 C C . TYR C 3 106 ? 18.265 -111.499 23.309 1.00 107.25 ? 228 TYR C C 1 ATOM 7905 O O . TYR C 3 106 ? 17.861 -111.270 24.449 1.00 110.25 ? 228 TYR C O 1 ATOM 7906 C CB . TYR C 3 106 ? 20.706 -111.120 23.634 1.00 107.72 ? 228 TYR C CB 1 ATOM 7907 C CG . TYR C 3 106 ? 20.861 -112.596 23.938 1.00 107.42 ? 228 TYR C CG 1 ATOM 7908 C CD1 . TYR C 3 106 ? 21.502 -113.446 23.046 1.00 108.10 ? 228 TYR C CD1 1 ATOM 7909 C CD2 . TYR C 3 106 ? 20.369 -113.139 25.119 1.00 105.95 ? 228 TYR C CD2 1 ATOM 7910 C CE1 . TYR C 3 106 ? 21.649 -114.797 23.319 1.00 108.29 ? 228 TYR C CE1 1 ATOM 7911 C CE2 . TYR C 3 106 ? 20.511 -114.491 25.403 1.00 106.36 ? 228 TYR C CE2 1 ATOM 7912 C CZ . TYR C 3 106 ? 21.151 -115.315 24.496 1.00 105.91 ? 228 TYR C CZ 1 ATOM 7913 O OH . TYR C 3 106 ? 21.308 -116.658 24.759 1.00 106.42 ? 228 TYR C OH 1 ATOM 7914 H H . TYR C 3 106 ? 18.974 -108.984 23.364 1.00 134.10 ? 228 TYR C H 1 ATOM 7915 H HA . TYR C 3 106 ? 19.670 -111.146 21.861 1.00 130.61 ? 228 TYR C HA 1 ATOM 7916 H HB2 . TYR C 3 106 ? 21.511 -110.826 23.179 1.00 129.27 ? 228 TYR C HB2 1 ATOM 7917 H HB3 . TYR C 3 106 ? 20.617 -110.652 24.479 1.00 129.27 ? 228 TYR C HB3 1 ATOM 7918 H HD1 . TYR C 3 106 ? 21.839 -113.102 22.250 1.00 129.72 ? 228 TYR C HD1 1 ATOM 7919 H HD2 . TYR C 3 106 ? 19.937 -112.587 25.730 1.00 127.14 ? 228 TYR C HD2 1 ATOM 7920 H HE1 . TYR C 3 106 ? 22.082 -115.352 22.711 1.00 129.95 ? 228 TYR C HE1 1 ATOM 7921 H HE2 . TYR C 3 106 ? 20.176 -114.840 26.197 1.00 127.63 ? 228 TYR C HE2 1 ATOM 7922 H HH . TYR C 3 106 ? 20.575 -117.015 24.846 1.00 127.70 ? 228 TYR C HH 1 ATOM 7923 N N . ASP C 3 107 ? 17.673 -112.360 22.488 1.00 106.72 ? 229 ASP C N 1 ATOM 7924 C CA . ASP C 3 107 ? 16.598 -113.237 22.936 1.00 112.34 ? 229 ASP C CA 1 ATOM 7925 C C . ASP C 3 107 ? 17.157 -114.630 23.190 1.00 112.64 ? 229 ASP C C 1 ATOM 7926 O O . ASP C 3 107 ? 17.593 -115.311 22.262 1.00 111.22 ? 229 ASP C O 1 ATOM 7927 C CB . ASP C 3 107 ? 15.485 -113.309 21.891 1.00 122.04 ? 229 ASP C CB 1 ATOM 7928 C CG . ASP C 3 107 ? 14.486 -114.415 22.179 1.00 134.32 ? 229 ASP C CG 1 ATOM 7929 O OD1 . ASP C 3 107 ? 14.264 -114.722 23.370 1.00 142.15 ? 229 ASP C OD1 1 ATOM 7930 O OD2 . ASP C 3 107 ? 13.927 -114.981 21.216 1.00 135.36 ? 229 ASP C OD2 1 ATOM 7931 H H . ASP C 3 107 ? 17.878 -112.457 21.659 1.00 128.06 ? 229 ASP C H 1 ATOM 7932 H HA . ASP C 3 107 ? 16.220 -112.894 23.773 1.00 134.81 ? 229 ASP C HA 1 ATOM 7933 H HB2 . ASP C 3 107 ? 15.005 -112.466 21.880 1.00 146.45 ? 229 ASP C HB2 1 ATOM 7934 H HB3 . ASP C 3 107 ? 15.878 -113.478 21.020 1.00 146.45 ? 229 ASP C HB3 1 ATOM 7935 N N . ASP C 3 108 ? 17.143 -115.050 24.450 1.00 114.52 ? 230 ASP C N 1 ATOM 7936 C CA . ASP C 3 108 ? 17.702 -116.342 24.821 1.00 116.51 ? 230 ASP C CA 1 ATOM 7937 C C . ASP C 3 108 ? 16.930 -117.485 24.175 1.00 119.99 ? 230 ASP C C 1 ATOM 7938 O O . ASP C 3 108 ? 17.518 -118.480 23.751 1.00 124.92 ? 230 ASP C O 1 ATOM 7939 C CB . ASP C 3 108 ? 17.700 -116.514 26.339 1.00 117.12 ? 230 ASP C CB 1 ATOM 7940 C CG . ASP C 3 108 ? 18.449 -117.756 26.784 1.00 118.12 ? 230 ASP C CG 1 ATOM 7941 O OD1 . ASP C 3 108 ? 17.866 -118.860 26.723 1.00 115.30 ? 230 ASP C OD1 1 ATOM 7942 O OD2 . ASP C 3 108 ? 19.622 -117.628 27.195 1.00 123.56 ? 230 ASP C OD2 1 ATOM 7943 H H . ASP C 3 108 ? 16.815 -114.605 25.109 1.00 137.42 ? 230 ASP C H 1 ATOM 7944 H HA . ASP C 3 108 ? 18.631 -116.390 24.511 1.00 139.82 ? 230 ASP C HA 1 ATOM 7945 H HB2 . ASP C 3 108 ? 18.127 -115.743 26.746 1.00 140.54 ? 230 ASP C HB2 1 ATOM 7946 H HB3 . ASP C 3 108 ? 16.784 -116.588 26.648 1.00 140.54 ? 230 ASP C HB3 1 ATOM 7947 N N . ALA C 3 109 ? 15.611 -117.336 24.102 1.00 119.35 ? 231 ALA C N 1 ATOM 7948 C CA . ALA C 3 109 ? 14.752 -118.360 23.520 1.00 122.45 ? 231 ALA C CA 1 ATOM 7949 C C . ALA C 3 109 ? 15.267 -118.812 22.156 1.00 129.14 ? 231 ALA C C 1 ATOM 7950 O O . ALA C 3 109 ? 15.383 -120.010 21.895 1.00 133.08 ? 231 ALA C O 1 ATOM 7951 C CB . ALA C 3 109 ? 13.329 -117.841 23.400 1.00 117.46 ? 231 ALA C CB 1 ATOM 7952 H H . ALA C 3 109 ? 15.186 -116.645 24.386 1.00 143.22 ? 231 ALA C H 1 ATOM 7953 H HA . ALA C 3 109 ? 14.740 -119.141 24.112 1.00 146.94 ? 231 ALA C HA 1 ATOM 7954 H HB1 . ALA C 3 109 ? 12.778 -118.527 23.015 1.00 140.95 ? 231 ALA C HB1 1 ATOM 7955 H HB2 . ALA C 3 109 ? 13.005 -117.613 24.274 1.00 140.95 ? 231 ALA C HB2 1 ATOM 7956 H HB3 . ALA C 3 109 ? 13.327 -117.064 22.836 1.00 140.95 ? 231 ALA C HB3 1 ATOM 7957 N N . THR C 3 110 ? 15.580 -117.849 21.293 1.00 128.99 ? 232 THR C N 1 ATOM 7958 C CA . THR C 3 110 ? 16.060 -118.152 19.948 1.00 125.16 ? 232 THR C CA 1 ATOM 7959 C C . THR C 3 110 ? 17.566 -117.941 19.830 1.00 120.10 ? 232 THR C C 1 ATOM 7960 O O . THR C 3 110 ? 18.128 -118.028 18.738 1.00 114.66 ? 232 THR C O 1 ATOM 7961 C CB . THR C 3 110 ? 15.361 -117.284 18.881 1.00 121.86 ? 232 THR C CB 1 ATOM 7962 O OG1 . THR C 3 110 ? 15.654 -115.899 19.109 1.00 119.80 ? 232 THR C OG1 1 ATOM 7963 C CG2 . THR C 3 110 ? 13.857 -117.503 18.909 1.00 121.29 ? 232 THR C CG2 1 ATOM 7964 H H . THR C 3 110 ? 15.522 -117.008 21.464 1.00 154.78 ? 232 THR C H 1 ATOM 7965 H HA . THR C 3 110 ? 15.869 -119.091 19.745 1.00 150.19 ? 232 THR C HA 1 ATOM 7966 H HB . THR C 3 110 ? 15.686 -117.537 18.003 1.00 146.23 ? 232 THR C HB 1 ATOM 7967 H HG1 . THR C 3 110 ? 15.388 -115.674 19.851 1.00 143.76 ? 232 THR C HG1 1 ATOM 7968 H HG21 . THR C 3 110 ? 13.434 -116.958 18.241 1.00 145.55 ? 232 THR C HG21 1 ATOM 7969 H HG22 . THR C 3 110 ? 13.657 -118.425 18.732 1.00 145.55 ? 232 THR C HG22 1 ATOM 7970 H HG23 . THR C 3 110 ? 13.508 -117.267 19.771 1.00 145.55 ? 232 THR C HG23 1 ATOM 7971 N N . LYS C 3 111 ? 18.214 -117.662 20.956 1.00 121.21 ? 233 LYS C N 1 ATOM 7972 C CA . LYS C 3 111 ? 19.656 -117.455 20.976 1.00 119.71 ? 233 LYS C CA 1 ATOM 7973 C C . LYS C 3 111 ? 20.055 -116.432 19.919 1.00 111.57 ? 233 LYS C C 1 ATOM 7974 O O . LYS C 3 111 ? 21.111 -116.547 19.297 1.00 115.27 ? 233 LYS C O 1 ATOM 7975 C CB . LYS C 3 111 ? 20.380 -118.779 20.723 1.00 124.53 ? 233 LYS C CB 1 ATOM 7976 C CG . LYS C 3 111 ? 20.002 -119.886 21.698 1.00 131.45 ? 233 LYS C CG 1 ATOM 7977 C CD . LYS C 3 111 ? 20.586 -121.222 21.275 1.00 138.51 ? 233 LYS C CD 1 ATOM 7978 C CE . LYS C 3 111 ? 20.284 -122.317 22.283 1.00 145.43 ? 233 LYS C CE 1 ATOM 7979 N NZ . LYS C 3 111 ? 20.904 -123.610 21.884 1.00 148.46 ? 233 LYS C NZ 1 ATOM 7980 H H . LYS C 3 111 ? 17.839 -117.587 21.726 1.00 145.45 ? 233 LYS C H 1 ATOM 7981 H HA . LYS C 3 111 ? 19.926 -117.116 21.855 1.00 143.65 ? 233 LYS C HA 1 ATOM 7982 H HB2 . LYS C 3 111 ? 20.165 -119.086 19.828 1.00 149.44 ? 233 LYS C HB2 1 ATOM 7983 H HB3 . LYS C 3 111 ? 21.336 -118.631 20.799 1.00 149.44 ? 233 LYS C HB3 1 ATOM 7984 H HG2 . LYS C 3 111 ? 20.346 -119.669 22.578 1.00 157.74 ? 233 LYS C HG2 1 ATOM 7985 H HG3 . LYS C 3 111 ? 19.036 -119.972 21.726 1.00 157.74 ? 233 LYS C HG3 1 ATOM 7986 H HD2 . LYS C 3 111 ? 20.203 -121.482 20.422 1.00 166.22 ? 233 LYS C HD2 1 ATOM 7987 H HD3 . LYS C 3 111 ? 21.549 -121.139 21.198 1.00 166.22 ? 233 LYS C HD3 1 ATOM 7988 H HE2 . LYS C 3 111 ? 20.641 -122.063 23.148 1.00 174.52 ? 233 LYS C HE2 1 ATOM 7989 H HE3 . LYS C 3 111 ? 19.324 -122.444 22.340 1.00 174.52 ? 233 LYS C HE3 1 ATOM 7990 H HZ1 . LYS C 3 111 ? 21.787 -123.519 21.828 1.00 178.16 ? 233 LYS C HZ1 1 ATOM 7991 H HZ2 . LYS C 3 111 ? 20.715 -124.236 22.488 1.00 178.16 ? 233 LYS C HZ2 1 ATOM 7992 H HZ3 . LYS C 3 111 ? 20.589 -123.867 21.092 1.00 178.16 ? 233 LYS C HZ3 1 ATOM 7993 N N . THR C 3 112 ? 19.205 -115.429 19.725 1.00 101.82 ? 234 THR C N 1 ATOM 7994 C CA . THR C 3 112 ? 19.402 -114.450 18.663 1.00 95.97 ? 234 THR C CA 1 ATOM 7995 C C . THR C 3 112 ? 19.949 -113.124 19.182 1.00 95.35 ? 234 THR C C 1 ATOM 7996 O O . THR C 3 112 ? 19.333 -112.475 20.025 1.00 93.91 ? 234 THR C O 1 ATOM 7997 C CB . THR C 3 112 ? 18.079 -114.164 17.923 1.00 92.57 ? 234 THR C CB 1 ATOM 7998 O OG1 . THR C 3 112 ? 17.665 -115.333 17.204 1.00 91.28 ? 234 THR C OG1 1 ATOM 7999 C CG2 . THR C 3 112 ? 18.247 -113.008 16.947 1.00 86.63 ? 234 THR C CG2 1 ATOM 8000 H H . THR C 3 112 ? 18.501 -115.293 20.199 1.00 122.19 ? 234 THR C H 1 ATOM 8001 H HA . THR C 3 112 ? 20.042 -114.808 18.013 1.00 115.17 ? 234 THR C HA 1 ATOM 8002 H HB . THR C 3 112 ? 17.395 -113.924 18.568 1.00 111.08 ? 234 THR C HB 1 ATOM 8003 H HG1 . THR C 3 112 ? 17.552 -115.957 17.725 1.00 109.53 ? 234 THR C HG1 1 ATOM 8004 H HG21 . THR C 3 112 ? 17.418 -112.840 16.493 1.00 103.96 ? 234 THR C HG21 1 ATOM 8005 H HG22 . THR C 3 112 ? 18.510 -112.215 17.420 1.00 103.96 ? 234 THR C HG22 1 ATOM 8006 H HG23 . THR C 3 112 ? 18.921 -113.222 16.297 1.00 103.96 ? 234 THR C HG23 1 ATOM 8007 N N . PHE C 3 113 ? 21.111 -112.729 18.669 1.00 96.01 ? 235 PHE C N 1 ATOM 8008 C CA . PHE C 3 113 ? 21.649 -111.398 18.917 1.00 94.60 ? 235 PHE C CA 1 ATOM 8009 C C . PHE C 3 113 ? 21.179 -110.480 17.797 1.00 93.97 ? 235 PHE C C 1 ATOM 8010 O O . PHE C 3 113 ? 20.990 -110.929 16.668 1.00 98.88 ? 235 PHE C O 1 ATOM 8011 C CB . PHE C 3 113 ? 23.177 -111.429 18.956 1.00 94.59 ? 235 PHE C CB 1 ATOM 8012 C CG . PHE C 3 113 ? 23.741 -112.271 20.066 1.00 100.61 ? 235 PHE C CG 1 ATOM 8013 C CD1 . PHE C 3 113 ? 23.950 -113.627 19.887 1.00 106.49 ? 235 PHE C CD1 1 ATOM 8014 C CD2 . PHE C 3 113 ? 24.070 -111.703 21.286 1.00 103.40 ? 235 PHE C CD2 1 ATOM 8015 C CE1 . PHE C 3 113 ? 24.471 -114.404 20.903 1.00 113.12 ? 235 PHE C CE1 1 ATOM 8016 C CE2 . PHE C 3 113 ? 24.592 -112.475 22.307 1.00 109.72 ? 235 PHE C CE2 1 ATOM 8017 C CZ . PHE C 3 113 ? 24.792 -113.827 22.114 1.00 114.69 ? 235 PHE C CZ 1 ATOM 8018 H H . PHE C 3 113 ? 21.610 -113.219 18.169 1.00 115.22 ? 235 PHE C H 1 ATOM 8019 H HA . PHE C 3 113 ? 21.315 -111.055 19.772 1.00 113.52 ? 235 PHE C HA 1 ATOM 8020 H HB2 . PHE C 3 113 ? 23.504 -111.789 18.116 1.00 113.51 ? 235 PHE C HB2 1 ATOM 8021 H HB3 . PHE C 3 113 ? 23.505 -110.524 19.075 1.00 113.51 ? 235 PHE C HB3 1 ATOM 8022 H HD1 . PHE C 3 113 ? 23.735 -114.022 19.072 1.00 127.79 ? 235 PHE C HD1 1 ATOM 8023 H HD2 . PHE C 3 113 ? 23.936 -110.793 21.420 1.00 124.08 ? 235 PHE C HD2 1 ATOM 8024 H HE1 . PHE C 3 113 ? 24.605 -115.314 20.771 1.00 135.75 ? 235 PHE C HE1 1 ATOM 8025 H HE2 . PHE C 3 113 ? 24.807 -112.084 23.122 1.00 131.67 ? 235 PHE C HE2 1 ATOM 8026 H HZ . PHE C 3 113 ? 25.143 -114.348 22.800 1.00 137.62 ? 235 PHE C HZ 1 ATOM 8027 N N . THR C 3 114 ? 20.984 -109.201 18.100 1.00 89.40 ? 236 THR C N 1 ATOM 8028 C CA . THR C 3 114 ? 20.508 -108.254 17.095 1.00 89.90 ? 236 THR C CA 1 ATOM 8029 C C . THR C 3 114 ? 21.240 -106.921 17.155 1.00 98.46 ? 236 THR C C 1 ATOM 8030 O O . THR C 3 114 ? 20.951 -106.085 18.010 1.00 103.23 ? 236 THR C O 1 ATOM 8031 C CB . THR C 3 114 ? 19.001 -107.979 17.252 1.00 87.60 ? 236 THR C CB 1 ATOM 8032 O OG1 . THR C 3 114 ? 18.269 -109.202 17.104 1.00 95.12 ? 236 THR C OG1 1 ATOM 8033 C CG2 . THR C 3 114 ? 18.526 -106.973 16.211 1.00 80.37 ? 236 THR C CG2 1 ATOM 8034 H H . THR C 3 114 ? 21.119 -108.856 18.876 1.00 107.28 ? 236 THR C H 1 ATOM 8035 H HA . THR C 3 114 ? 20.653 -108.638 16.205 1.00 107.88 ? 236 THR C HA 1 ATOM 8036 H HB . THR C 3 114 ? 18.833 -107.609 18.133 1.00 105.12 ? 236 THR C HB 1 ATOM 8037 H HG1 . THR C 3 114 ? 17.465 -109.059 17.187 1.00 114.14 ? 236 THR C HG1 1 ATOM 8038 H HG21 . THR C 3 114 ? 17.586 -106.809 16.319 1.00 96.44 ? 236 THR C HG21 1 ATOM 8039 H HG22 . THR C 3 114 ? 19.001 -106.145 16.315 1.00 96.44 ? 236 THR C HG22 1 ATOM 8040 H HG23 . THR C 3 114 ? 18.684 -107.315 15.329 1.00 96.44 ? 236 THR C HG23 1 ATOM 8041 N N . VAL C 3 115 ? 22.178 -106.721 16.235 1.00 102.37 ? 237 VAL C N 1 ATOM 8042 C CA . VAL C 3 115 ? 22.856 -105.437 16.110 1.00 102.76 ? 237 VAL C CA 1 ATOM 8043 C C . VAL C 3 115 ? 22.034 -104.517 15.216 1.00 98.50 ? 237 VAL C C 1 ATOM 8044 O O . VAL C 3 115 ? 21.339 -104.981 14.313 1.00 93.23 ? 237 VAL C O 1 ATOM 8045 C CB . VAL C 3 115 ? 24.271 -105.584 15.522 1.00 105.37 ? 237 VAL C CB 1 ATOM 8046 C CG1 . VAL C 3 115 ? 25.074 -106.571 16.336 1.00 110.36 ? 237 VAL C CG1 1 ATOM 8047 C CG2 . VAL C 3 115 ? 24.211 -106.019 14.071 1.00 103.80 ? 237 VAL C CG2 1 ATOM 8048 H H . VAL C 3 115 ? 22.441 -107.315 15.671 1.00 122.84 ? 237 VAL C H 1 ATOM 8049 H HA . VAL C 3 115 ? 22.930 -105.022 16.995 1.00 123.31 ? 237 VAL C HA 1 ATOM 8050 H HB . VAL C 3 115 ? 24.726 -104.716 15.561 1.00 126.45 ? 237 VAL C HB 1 ATOM 8051 H HG11 . VAL C 3 115 ? 25.951 -106.649 15.955 1.00 132.43 ? 237 VAL C HG11 1 ATOM 8052 H HG12 . VAL C 3 115 ? 25.136 -106.252 17.240 1.00 132.43 ? 237 VAL C HG12 1 ATOM 8053 H HG13 . VAL C 3 115 ? 24.631 -107.422 16.318 1.00 132.43 ? 237 VAL C HG13 1 ATOM 8054 H HG21 . VAL C 3 115 ? 25.105 -106.102 13.733 1.00 124.56 ? 237 VAL C HG21 1 ATOM 8055 H HG22 . VAL C 3 115 ? 23.761 -106.865 14.018 1.00 124.56 ? 237 VAL C HG22 1 ATOM 8056 H HG23 . VAL C 3 115 ? 23.730 -105.359 13.567 1.00 124.56 ? 237 VAL C HG23 1 ATOM 8057 N N . THR C 3 116 ? 22.110 -103.215 15.472 1.00 99.65 ? 238 THR C N 1 ATOM 8058 C CA . THR C 3 116 ? 21.385 -102.243 14.662 1.00 95.15 ? 238 THR C CA 1 ATOM 8059 C C . THR C 3 116 ? 22.026 -100.863 14.764 1.00 91.45 ? 238 THR C C 1 ATOM 8060 O O . THR C 3 116 ? 21.978 -100.219 15.812 1.00 89.00 ? 238 THR C O 1 ATOM 8061 C CB . THR C 3 116 ? 19.908 -102.140 15.093 1.00 91.84 ? 238 THR C CB 1 ATOM 8062 O OG1 . THR C 3 116 ? 19.394 -103.445 15.387 1.00 92.50 ? 238 THR C OG1 1 ATOM 8063 C CG2 . THR C 3 116 ? 19.074 -101.497 13.992 1.00 87.43 ? 238 THR C CG2 1 ATOM 8064 H H . THR C 3 116 ? 22.574 -102.869 16.108 1.00 119.58 ? 238 THR C H 1 ATOM 8065 H HA . THR C 3 116 ? 21.411 -102.523 13.724 1.00 114.18 ? 238 THR C HA 1 ATOM 8066 H HB . THR C 3 116 ? 19.844 -101.585 15.886 1.00 110.21 ? 238 THR C HB 1 ATOM 8067 H HG1 . THR C 3 116 ? 19.445 -103.924 14.723 1.00 110.99 ? 238 THR C HG1 1 ATOM 8068 H HG21 . THR C 3 116 ? 18.157 -101.437 14.268 1.00 104.92 ? 238 THR C HG21 1 ATOM 8069 H HG22 . THR C 3 116 ? 19.402 -100.615 13.805 1.00 104.92 ? 238 THR C HG22 1 ATOM 8070 H HG23 . THR C 3 116 ? 19.125 -102.025 13.192 1.00 104.92 ? 238 THR C HG23 1 HETATM 8071 C C1 . NAG D 4 . ? 20.724 -91.218 7.677 1.00 61.98 ? 560 NAG C C1 1 HETATM 8072 C C2 . NAG D 4 . ? 19.357 -91.365 8.330 1.00 61.68 ? 560 NAG C C2 1 HETATM 8073 C C3 . NAG D 4 . ? 18.610 -90.038 8.372 1.00 57.77 ? 560 NAG C C3 1 HETATM 8074 C C4 . NAG D 4 . ? 19.494 -88.938 8.947 1.00 57.91 ? 560 NAG C C4 1 HETATM 8075 C C5 . NAG D 4 . ? 20.887 -88.948 8.321 1.00 61.26 ? 560 NAG C C5 1 HETATM 8076 C C6 . NAG D 4 . ? 21.817 -87.979 9.044 1.00 64.90 ? 560 NAG C C6 1 HETATM 8077 C C7 . NAG D 4 . ? 18.224 -93.499 8.211 1.00 63.28 ? 560 NAG C C7 1 HETATM 8078 C C8 . NAG D 4 . ? 17.063 -94.231 7.604 1.00 68.59 ? 560 NAG C C8 1 HETATM 8079 N N2 . NAG D 4 . ? 18.580 -92.363 7.621 1.00 63.72 ? 560 NAG C N2 1 HETATM 8080 O O3 . NAG D 4 . ? 17.449 -90.174 9.159 1.00 55.62 ? 560 NAG C O3 1 HETATM 8081 O O4 . NAG D 4 . ? 18.883 -87.685 8.714 1.00 55.05 ? 560 NAG C O4 1 HETATM 8082 O O5 . NAG D 4 . ? 21.469 -90.235 8.362 1.00 61.86 ? 560 NAG C O5 1 HETATM 8083 O O6 . NAG D 4 . ? 22.027 -88.419 10.368 1.00 68.86 ? 560 NAG C O6 1 HETATM 8084 O O7 . NAG D 4 . ? 18.798 -93.947 9.203 1.00 58.28 ? 560 NAG C O7 1 HETATM 8085 H H2 . NAG D 4 . ? 19.501 -91.703 9.356 1.00 74.02 ? 560 NAG C H2 1 HETATM 8086 H H3 . NAG D 4 . ? 18.329 -89.770 7.353 1.00 69.32 ? 560 NAG C H3 1 HETATM 8087 H H4 . NAG D 4 . ? 19.589 -89.101 10.021 1.00 69.49 ? 560 NAG C H4 1 HETATM 8088 H H5 . NAG D 4 . ? 20.799 -88.628 7.283 1.00 73.51 ? 560 NAG C H5 1 HETATM 8089 H H61 . NAG D 4 . ? 21.380 -86.980 9.034 1.00 77.88 ? 560 NAG C H61 1 HETATM 8090 H H62 . NAG D 4 . ? 22.771 -87.932 8.520 1.00 77.88 ? 560 NAG C H62 1 HETATM 8091 H H81 . NAG D 4 . ? 16.267 -94.325 8.343 1.00 82.30 ? 560 NAG C H81 1 HETATM 8092 H H82 . NAG D 4 . ? 17.384 -95.223 7.288 1.00 82.30 ? 560 NAG C H82 1 HETATM 8093 H H83 . NAG D 4 . ? 16.695 -93.676 6.742 1.00 82.30 ? 560 NAG C H83 1 HETATM 8094 H HN2 . NAG D 4 . ? 18.417 -92.234 6.633 1.00 76.47 ? 560 NAG C HN2 1 HETATM 8095 H HO3 . NAG D 4 . ? 17.390 -91.092 9.498 1.00 66.75 ? 560 NAG C HO3 1 HETATM 8096 H HO6 . NAG D 4 . ? 21.527 -89.248 10.520 1.00 82.64 ? 560 NAG C HO6 1 HETATM 8097 C C1 . NAG E 4 . ? 18.110 -87.286 9.865 1.00 55.49 ? 561 NAG C C1 1 HETATM 8098 C C2 . NAG E 4 . ? 18.016 -85.762 9.894 1.00 50.96 ? 561 NAG C C2 1 HETATM 8099 C C3 . NAG E 4 . ? 17.167 -85.262 11.060 1.00 56.90 ? 561 NAG C C3 1 HETATM 8100 C C4 . NAG E 4 . ? 15.855 -86.032 11.136 1.00 62.69 ? 561 NAG C C4 1 HETATM 8101 C C5 . NAG E 4 . ? 16.115 -87.533 11.083 1.00 63.85 ? 561 NAG C C5 1 HETATM 8102 C C6 . NAG E 4 . ? 14.814 -88.328 11.148 1.00 66.78 ? 561 NAG C C6 1 HETATM 8103 C C7 . NAG E 4 . ? 19.872 -84.538 8.919 1.00 50.04 ? 561 NAG C C7 1 HETATM 8104 C C8 . NAG E 4 . ? 21.330 -84.197 9.019 1.00 47.81 ? 561 NAG C C8 1 HETATM 8105 N N2 . NAG E 4 . ? 19.348 -85.194 9.953 1.00 49.68 ? 561 NAG C N2 1 HETATM 8106 O O3 . NAG E 4 . ? 16.896 -83.885 10.911 1.00 56.93 ? 561 NAG C O3 1 HETATM 8107 O O4 . NAG E 4 . ? 15.170 -85.713 12.331 1.00 66.60 ? 561 NAG C O4 1 HETATM 8108 O O5 . NAG E 4 . ? 16.823 -87.865 9.906 1.00 60.16 ? 561 NAG C O5 1 HETATM 8109 O O6 . NAG E 4 . ? 13.982 -87.996 10.058 1.00 66.65 ? 561 NAG C O6 1 HETATM 8110 O O7 . NAG E 4 . ? 19.225 -84.212 7.924 1.00 51.67 ? 561 NAG C O7 1 HETATM 8111 H H2 . NAG E 4 . ? 17.537 -85.431 8.973 1.00 61.15 ? 561 NAG C H2 1 HETATM 8112 H H3 . NAG E 4 . ? 17.723 -85.424 11.984 1.00 68.28 ? 561 NAG C H3 1 HETATM 8113 H H4 . NAG E 4 . ? 15.241 -85.750 10.280 1.00 75.23 ? 561 NAG C H4 1 HETATM 8114 H H5 . NAG E 4 . ? 16.726 -87.805 11.943 1.00 76.62 ? 561 NAG C H5 1 HETATM 8115 H H61 . NAG E 4 . ? 14.305 -88.115 12.088 1.00 80.13 ? 561 NAG C H61 1 HETATM 8116 H H62 . NAG E 4 . ? 15.038 -89.394 11.122 1.00 80.13 ? 561 NAG C H62 1 HETATM 8117 H H81 . NAG E 4 . ? 21.454 -83.115 8.968 1.00 57.37 ? 561 NAG C H81 1 HETATM 8118 H H82 . NAG E 4 . ? 21.869 -84.664 8.194 1.00 57.37 ? 561 NAG C H82 1 HETATM 8119 H H83 . NAG E 4 . ? 21.725 -84.564 9.966 1.00 57.37 ? 561 NAG C H83 1 HETATM 8120 H HN2 . NAG E 4 . ? 19.881 -85.305 10.803 1.00 59.61 ? 561 NAG C HN2 1 HETATM 8121 H HO3 . NAG E 4 . ? 17.316 -83.557 10.088 1.00 68.32 ? 561 NAG C HO3 1 HETATM 8122 H HO6 . NAG E 4 . ? 14.427 -87.325 9.500 1.00 79.98 ? 561 NAG C HO6 1 HETATM 8123 C C1 . BMA F 5 . ? 14.214 -84.660 12.091 1.00 65.22 ? 562 BMA C C1 1 HETATM 8124 C C2 . BMA F 5 . ? 13.009 -84.842 13.012 1.00 66.31 ? 562 BMA C C2 1 HETATM 8125 C C3 . BMA F 5 . ? 11.988 -83.724 12.823 1.00 72.53 ? 562 BMA C C3 1 HETATM 8126 C C4 . BMA F 5 . ? 12.675 -82.371 12.896 1.00 70.57 ? 562 BMA C C4 1 HETATM 8127 C C5 . BMA F 5 . ? 13.841 -82.367 11.917 1.00 64.63 ? 562 BMA C C5 1 HETATM 8128 C C6 . BMA F 5 . ? 14.546 -81.021 11.906 1.00 59.90 ? 562 BMA C C6 1 HETATM 8129 O O2 . BMA F 5 . ? 13.450 -84.833 14.351 1.00 62.74 ? 562 BMA C O2 1 HETATM 8130 O O3 . BMA F 5 . ? 10.969 -83.819 13.796 1.00 82.25 ? 562 BMA C O3 1 HETATM 8131 O O4 . BMA F 5 . ? 11.757 -81.353 12.567 1.00 72.14 ? 562 BMA C O4 1 HETATM 8132 O O5 . BMA F 5 . ? 14.760 -83.374 12.281 1.00 64.16 ? 562 BMA C O5 1 HETATM 8133 O O6 . BMA F 5 . ? 15.707 -81.110 11.114 1.00 56.40 ? 562 BMA C O6 1 HETATM 8134 H H2 . BMA F 5 . ? 12.549 -85.804 12.788 1.00 79.57 ? 562 BMA C H2 1 HETATM 8135 H H3 . BMA F 5 . ? 11.551 -83.823 11.829 1.00 87.03 ? 562 BMA C H3 1 HETATM 8136 H H4 . BMA F 5 . ? 13.032 -82.223 13.915 1.00 84.68 ? 562 BMA C H4 1 HETATM 8137 H H5 . BMA F 5 . ? 13.450 -82.558 10.917 1.00 77.56 ? 562 BMA C H5 1 HETATM 8138 H H61 . BMA F 5 . ? 14.787 -80.729 12.928 1.00 71.88 ? 562 BMA C H61 1 HETATM 8139 H H62 . BMA F 5 . ? 13.880 -80.265 11.490 1.00 71.88 ? 562 BMA C H62 1 HETATM 8140 H HO2 . BMA F 5 . ? 14.422 -84.712 14.374 1.00 75.28 ? 562 BMA C HO2 1 HETATM 8141 H HO4 . BMA F 5 . ? 10.885 -81.753 12.366 1.00 86.57 ? 562 BMA C HO4 1 HETATM 8142 C C1 . MAN G 6 . ? 9.946 -84.691 13.279 1.00 89.51 ? 563 MAN C C1 1 HETATM 8143 C C2 . MAN G 6 . ? 8.621 -83.939 13.155 1.00 91.95 ? 563 MAN C C2 1 HETATM 8144 C C3 . MAN G 6 . ? 8.000 -83.670 14.522 1.00 88.71 ? 563 MAN C C3 1 HETATM 8145 C C4 . MAN G 6 . ? 7.978 -84.954 15.340 1.00 93.75 ? 563 MAN C C4 1 HETATM 8146 C C5 . MAN G 6 . ? 9.376 -85.555 15.376 1.00 97.61 ? 563 MAN C C5 1 HETATM 8147 C C6 . MAN G 6 . ? 9.423 -86.822 16.218 1.00 107.15 ? 563 MAN C C6 1 HETATM 8148 O O2 . MAN G 6 . ? 7.720 -84.677 12.361 1.00 96.90 ? 563 MAN C O2 1 HETATM 8149 O O3 . MAN G 6 . ? 6.683 -83.196 14.354 1.00 82.98 ? 563 MAN C O3 1 HETATM 8150 O O4 . MAN G 6 . ? 7.538 -84.688 16.652 1.00 95.32 ? 563 MAN C O4 1 HETATM 8151 O O5 . MAN G 6 . ? 9.774 -85.856 14.058 1.00 93.53 ? 563 MAN C O5 1 HETATM 8152 O O6 . MAN G 6 . ? 10.761 -87.260 16.307 1.00 112.00 ? 563 MAN C O6 1 HETATM 8153 H H2 . MAN G 6 . ? 8.815 -82.976 12.684 1.00 110.34 ? 563 MAN C H2 1 HETATM 8154 H H3 . MAN G 6 . ? 8.597 -82.911 15.027 1.00 106.45 ? 563 MAN C H3 1 HETATM 8155 H H4 . MAN G 6 . ? 7.292 -85.654 14.862 1.00 112.50 ? 563 MAN C H4 1 HETATM 8156 H H5 . MAN G 6 . ? 10.052 -84.824 15.817 1.00 117.13 ? 563 MAN C H5 1 HETATM 8157 H H61 . MAN G 6 . ? 8.781 -87.580 15.771 1.00 128.58 ? 563 MAN C H61 1 HETATM 8158 H H62 . MAN G 6 . ? 9.044 -86.608 17.218 1.00 128.58 ? 563 MAN C H62 1 HETATM 8159 H HO2 . MAN G 6 . ? 8.149 -85.508 12.066 1.00 116.28 ? 563 MAN C HO2 1 HETATM 8160 H HO3 . MAN G 6 . ? 6.471 -83.150 13.399 1.00 99.57 ? 563 MAN C HO3 1 HETATM 8161 H HO4 . MAN G 6 . ? 7.344 -83.731 16.744 1.00 114.38 ? 563 MAN C HO4 1 HETATM 8162 H HO6 . MAN G 6 . ? 11.339 -86.646 15.807 1.00 134.40 ? 563 MAN C HO6 1 HETATM 8163 C C1 . MAN H 6 . ? 16.239 -79.781 11.026 1.00 51.21 ? 564 MAN C C1 1 HETATM 8164 C C2 . MAN H 6 . ? 17.124 -79.632 9.792 1.00 46.91 ? 564 MAN C C2 1 HETATM 8165 C C3 . MAN H 6 . ? 18.397 -80.457 9.920 1.00 46.37 ? 564 MAN C C3 1 HETATM 8166 C C4 . MAN H 6 . ? 19.042 -80.185 11.269 1.00 44.43 ? 564 MAN C C4 1 HETATM 8167 C C5 . MAN H 6 . ? 18.029 -80.371 12.390 1.00 46.02 ? 564 MAN C C5 1 HETATM 8168 C C6 . MAN H 6 . ? 18.685 -80.093 13.732 1.00 50.35 ? 564 MAN C C6 1 HETATM 8169 O O2 . MAN H 6 . ? 17.461 -78.273 9.632 1.00 42.39 ? 564 MAN C O2 1 HETATM 8170 O O3 . MAN H 6 . ? 19.304 -80.090 8.903 1.00 45.00 ? 564 MAN C O3 1 HETATM 8171 O O4 . MAN H 6 . ? 20.138 -81.048 11.463 1.00 45.06 ? 564 MAN C O4 1 HETATM 8172 O O5 . MAN H 6 . ? 16.970 -79.464 12.188 1.00 50.76 ? 564 MAN C O5 1 HETATM 8173 O O6 . MAN H 6 . ? 19.518 -78.975 13.547 1.00 51.10 ? 564 MAN C O6 1 HETATM 8174 H H2 . MAN H 6 . ? 16.561 -79.972 8.923 1.00 56.29 ? 564 MAN C H2 1 HETATM 8175 H H3 . MAN H 6 . ? 18.137 -81.510 9.811 1.00 55.64 ? 564 MAN C H3 1 HETATM 8176 H H4 . MAN H 6 . ? 19.387 -79.151 11.282 1.00 53.32 ? 564 MAN C H4 1 HETATM 8177 H H5 . MAN H 6 . ? 17.693 -81.408 12.380 1.00 55.22 ? 564 MAN C H5 1 HETATM 8178 H H61 . MAN H 6 . ? 19.212 -80.986 14.071 1.00 60.42 ? 564 MAN C H61 1 HETATM 8179 H H62 . MAN H 6 . ? 17.918 -79.857 14.470 1.00 60.42 ? 564 MAN C H62 1 HETATM 8180 H HO2 . MAN H 6 . ? 17.049 -77.747 10.348 1.00 50.87 ? 564 MAN C HO2 1 HETATM 8181 H HO4 . MAN H 6 . ? 20.237 -81.631 10.682 1.00 54.08 ? 564 MAN C HO4 1 HETATM 8182 C C1 . MAN I 6 . ? 20.107 -78.568 14.788 1.00 48.88 ? 565 MAN C C1 1 HETATM 8183 C C2 . MAN I 6 . ? 20.515 -77.118 14.616 1.00 47.35 ? 565 MAN C C2 1 HETATM 8184 C C3 . MAN I 6 . ? 21.384 -77.035 13.372 1.00 48.30 ? 565 MAN C C3 1 HETATM 8185 C C4 . MAN I 6 . ? 22.575 -77.972 13.532 1.00 44.57 ? 565 MAN C C4 1 HETATM 8186 C C5 . MAN I 6 . ? 22.126 -79.375 13.932 1.00 45.99 ? 565 MAN C C5 1 HETATM 8187 C C6 . MAN I 6 . ? 23.331 -80.242 14.276 1.00 49.14 ? 565 MAN C C6 1 HETATM 8188 O O2 . MAN I 6 . ? 21.241 -76.682 15.741 1.00 47.08 ? 565 MAN C O2 1 HETATM 8189 O O3 . MAN I 6 . ? 21.838 -75.716 13.174 1.00 51.85 ? 565 MAN C O3 1 HETATM 8190 O O4 . MAN I 6 . ? 23.291 -78.043 12.318 1.00 45.63 ? 565 MAN C O4 1 HETATM 8191 O O5 . MAN I 6 . ? 21.269 -79.315 15.054 1.00 47.39 ? 565 MAN C O5 1 HETATM 8192 O O6 . MAN I 6 . ? 22.933 -81.592 14.357 1.00 53.49 ? 565 MAN C O6 1 HETATM 8193 H H2 . MAN I 6 . ? 19.611 -76.518 14.512 1.00 56.82 ? 565 MAN C H2 1 HETATM 8194 H H3 . MAN I 6 . ? 20.787 -77.346 12.515 1.00 57.96 ? 565 MAN C H3 1 HETATM 8195 H H4 . MAN I 6 . ? 23.223 -77.573 14.313 1.00 53.48 ? 565 MAN C H4 1 HETATM 8196 H H5 . MAN I 6 . ? 21.611 -79.825 13.084 1.00 55.19 ? 565 MAN C H5 1 HETATM 8197 H H61 . MAN I 6 . ? 23.764 -79.906 15.219 1.00 58.97 ? 565 MAN C H61 1 HETATM 8198 H H62 . MAN I 6 . ? 24.090 -80.133 13.502 1.00 58.97 ? 565 MAN C H62 1 HETATM 8199 H HO2 . MAN I 6 . ? 21.319 -77.417 16.384 1.00 56.50 ? 565 MAN C HO2 1 HETATM 8200 H HO3 . MAN I 6 . ? 21.491 -75.140 13.888 1.00 62.22 ? 565 MAN C HO3 1 HETATM 8201 H HO4 . MAN I 6 . ? 22.857 -77.473 11.650 1.00 54.76 ? 565 MAN C HO4 1 HETATM 8202 H HO6 . MAN I 6 . ? 21.973 -81.660 14.173 1.00 64.18 ? 565 MAN C HO6 1 HETATM 8203 C C1 . MAN J 6 . ? 18.864 -80.592 7.628 1.00 47.33 ? 566 MAN C C1 1 HETATM 8204 C C2 . MAN J 6 . ? 20.081 -80.769 6.729 1.00 49.66 ? 566 MAN C C2 1 HETATM 8205 C C3 . MAN J 6 . ? 20.723 -79.410 6.491 1.00 47.64 ? 566 MAN C C3 1 HETATM 8206 C C4 . MAN J 6 . ? 19.671 -78.502 5.873 1.00 47.49 ? 566 MAN C C4 1 HETATM 8207 C C5 . MAN J 6 . ? 18.470 -78.429 6.803 1.00 48.51 ? 566 MAN C C5 1 HETATM 8208 C C6 . MAN J 6 . ? 17.395 -77.524 6.219 1.00 49.25 ? 566 MAN C C6 1 HETATM 8209 O O2 . MAN J 6 . ? 19.681 -81.328 5.499 1.00 53.81 ? 566 MAN C O2 1 HETATM 8210 O O3 . MAN J 6 . ? 21.834 -79.507 5.629 1.00 46.00 ? 566 MAN C O3 1 HETATM 8211 O O4 . MAN J 6 . ? 20.200 -77.211 5.672 1.00 48.13 ? 566 MAN C O4 1 HETATM 8212 O O5 . MAN J 6 . ? 17.947 -79.727 6.992 1.00 48.24 ? 566 MAN C O5 1 HETATM 8213 O O6 . MAN J 6 . ? 16.400 -77.277 7.188 1.00 50.80 ? 566 MAN C O6 1 HETATM 8214 H H2 . MAN J 6 . ? 20.779 -81.445 7.224 1.00 59.60 ? 566 MAN C H2 1 HETATM 8215 H H3 . MAN J 6 . ? 21.043 -79.009 7.453 1.00 57.17 ? 566 MAN C H3 1 HETATM 8216 H H4 . MAN J 6 . ? 19.374 -78.926 4.914 1.00 56.99 ? 566 MAN C H4 1 HETATM 8217 H H5 . MAN J 6 . ? 18.797 -78.005 7.752 1.00 58.21 ? 566 MAN C H5 1 HETATM 8218 H H61 . MAN J 6 . ? 16.964 -77.995 5.336 1.00 59.10 ? 566 MAN C H61 1 HETATM 8219 H H62 . MAN J 6 . ? 17.844 -76.580 5.910 1.00 59.10 ? 566 MAN C H62 1 HETATM 8220 H HO2 . MAN J 6 . ? 18.712 -81.473 5.506 1.00 64.57 ? 566 MAN C HO2 1 HETATM 8221 H HO3 . MAN J 6 . ? 21.959 -80.441 5.362 1.00 55.21 ? 566 MAN C HO3 1 HETATM 8222 H HO4 . MAN J 6 . ? 21.131 -77.189 5.977 1.00 57.76 ? 566 MAN C HO4 1 HETATM 8223 H HO6 . MAN J 6 . ? 16.629 -77.746 8.017 1.00 60.96 ? 566 MAN C HO6 1 HETATM 8224 C C1 . NAG K 4 . ? 16.522 -89.282 -3.481 1.00 73.99 ? 573 NAG C C1 1 HETATM 8225 C C2 . NAG K 4 . ? 17.151 -88.173 -4.315 1.00 70.07 ? 573 NAG C C2 1 HETATM 8226 C C3 . NAG K 4 . ? 16.516 -86.809 -4.048 1.00 69.96 ? 573 NAG C C3 1 HETATM 8227 C C4 . NAG K 4 . ? 14.993 -86.857 -3.947 1.00 74.65 ? 573 NAG C C4 1 HETATM 8228 C C5 . NAG K 4 . ? 14.515 -88.086 -3.178 1.00 79.15 ? 573 NAG C C5 1 HETATM 8229 C C6 . NAG K 4 . ? 13.002 -88.250 -3.287 1.00 84.06 ? 573 NAG C C6 1 HETATM 8230 C C7 . NAG K 4 . ? 19.485 -88.353 -4.967 1.00 64.70 ? 573 NAG C C7 1 HETATM 8231 C C8 . NAG K 4 . ? 20.713 -87.492 -4.940 1.00 55.55 ? 573 NAG C C8 1 HETATM 8232 N N2 . NAG K 4 . ? 18.572 -88.108 -4.032 1.00 66.86 ? 573 NAG C N2 1 HETATM 8233 O O3 . NAG K 4 . ? 16.883 -85.915 -5.076 1.00 67.83 ? 573 NAG C O3 1 HETATM 8234 O O4 . NAG K 4 . ? 14.567 -85.688 -3.274 1.00 76.85 ? 573 NAG C O4 1 HETATM 8235 O O5 . NAG K 4 . ? 15.125 -89.262 -3.666 1.00 78.51 ? 573 NAG C O5 1 HETATM 8236 O O6 . NAG K 4 . ? 12.629 -88.524 -4.620 1.00 86.67 ? 573 NAG C O6 1 HETATM 8237 O O7 . NAG K 4 . ? 19.357 -89.232 -5.819 1.00 72.02 ? 573 NAG C O7 1 HETATM 8238 H H2 . NAG K 4 . ? 17.019 -88.418 -5.369 1.00 84.08 ? 573 NAG C H2 1 HETATM 8239 H H3 . NAG K 4 . ? 16.890 -86.438 -3.093 1.00 83.96 ? 573 NAG C H3 1 HETATM 8240 H H4 . NAG K 4 . ? 14.583 -86.865 -4.956 1.00 89.58 ? 573 NAG C H4 1 HETATM 8241 H H5 . NAG K 4 . ? 14.771 -87.955 -2.127 1.00 94.98 ? 573 NAG C H5 1 HETATM 8242 H H61 . NAG K 4 . ? 12.512 -87.340 -2.942 1.00 100.87 ? 573 NAG C H61 1 HETATM 8243 H H62 . NAG K 4 . ? 12.679 -89.069 -2.644 1.00 100.87 ? 573 NAG C H62 1 HETATM 8244 H H81 . NAG K 4 . ? 20.798 -86.951 -5.882 1.00 66.66 ? 573 NAG C H81 1 HETATM 8245 H H82 . NAG K 4 . ? 21.593 -88.119 -4.800 1.00 66.66 ? 573 NAG C H82 1 HETATM 8246 H H83 . NAG K 4 . ? 20.639 -86.781 -4.117 1.00 66.66 ? 573 NAG C H83 1 HETATM 8247 H HN2 . NAG K 4 . ? 18.864 -87.869 -3.095 1.00 80.23 ? 573 NAG C HN2 1 HETATM 8248 H HO3 . NAG K 4 . ? 17.459 -86.377 -5.720 1.00 81.39 ? 573 NAG C HO3 1 HETATM 8249 H HO6 . NAG K 4 . ? 13.429 -88.548 -5.185 1.00 104.01 ? 573 NAG C HO6 1 HETATM 8250 C C1 . NAG L 4 . ? 13.513 -85.005 -3.987 1.00 82.00 ? 574 NAG C C1 1 HETATM 8251 C C2 . NAG L 4 . ? 12.620 -84.301 -2.969 1.00 89.74 ? 574 NAG C C2 1 HETATM 8252 C C3 . NAG L 4 . ? 11.504 -83.483 -3.615 1.00 82.30 ? 574 NAG C C3 1 HETATM 8253 C C4 . NAG L 4 . ? 11.970 -82.715 -4.846 1.00 77.31 ? 574 NAG C C4 1 HETATM 8254 C C5 . NAG L 4 . ? 12.935 -83.523 -5.706 1.00 75.97 ? 574 NAG C C5 1 HETATM 8255 C C6 . NAG L 4 . ? 13.510 -82.640 -6.808 1.00 74.75 ? 574 NAG C C6 1 HETATM 8256 C C7 . NAG L 4 . ? 12.470 -85.418 -0.818 1.00 103.64 ? 574 NAG C C7 1 HETATM 8257 C C8 . NAG L 4 . ? 11.861 -86.531 -0.018 1.00 106.78 ? 574 NAG C C8 1 HETATM 8258 N N2 . NAG L 4 . ? 12.036 -85.275 -2.067 1.00 101.32 ? 574 NAG C N2 1 HETATM 8259 O O3 . NAG L 4 . ? 11.010 -82.564 -2.666 1.00 78.18 ? 574 NAG C O3 1 HETATM 8260 O O4 . NAG L 4 . ? 10.842 -82.378 -5.627 1.00 76.11 ? 574 NAG C O4 1 HETATM 8261 O O5 . NAG L 4 . ? 13.982 -84.062 -4.926 1.00 77.19 ? 574 NAG C O5 1 HETATM 8262 O O6 . NAG L 4 . ? 14.842 -83.018 -7.070 1.00 75.58 ? 574 NAG C O6 1 HETATM 8263 O O7 . NAG L 4 . ? 13.329 -84.691 -0.321 1.00 100.44 ? 574 NAG C O7 1 HETATM 8264 H H2 . NAG L 4 . ? 13.236 -83.616 -2.387 1.00 107.69 ? 574 NAG C H2 1 HETATM 8265 H H3 . NAG L 4 . ? 10.707 -84.164 -3.910 1.00 98.76 ? 574 NAG C H3 1 HETATM 8266 H H4 . NAG L 4 . ? 12.468 -81.804 -4.514 1.00 92.77 ? 574 NAG C H4 1 HETATM 8267 H H5 . NAG L 4 . ? 12.380 -84.336 -6.173 1.00 91.17 ? 574 NAG C H5 1 HETATM 8268 H H61 . NAG L 4 . ? 13.455 -81.595 -6.502 1.00 89.70 ? 574 NAG C H61 1 HETATM 8269 H H62 . NAG L 4 . ? 12.915 -82.756 -7.714 1.00 89.70 ? 574 NAG C H62 1 HETATM 8270 H H81 . NAG L 4 . ? 11.369 -86.119 0.863 1.00 128.14 ? 574 NAG C H81 1 HETATM 8271 H H82 . NAG L 4 . ? 12.642 -87.224 0.294 1.00 128.14 ? 574 NAG C H82 1 HETATM 8272 H H83 . NAG L 4 . ? 11.129 -87.059 -0.629 1.00 128.14 ? 574 NAG C H83 1 HETATM 8273 H HN2 . NAG L 4 . ? 11.281 -85.854 -2.407 1.00 121.59 ? 574 NAG C HN2 1 HETATM 8274 H HO3 . NAG L 4 . ? 11.498 -82.670 -1.823 1.00 93.81 ? 574 NAG C HO3 1 HETATM 8275 H HO6 . NAG L 4 . ? 15.092 -83.761 -6.483 1.00 90.70 ? 574 NAG C HO6 1 HETATM 8276 C C1 . BMA M 5 . ? 10.243 -81.145 -5.180 1.00 71.12 ? 575 BMA C C1 1 HETATM 8277 C C2 . BMA M 5 . ? 9.606 -80.473 -6.388 1.00 59.75 ? 575 BMA C C2 1 HETATM 8278 C C3 . BMA M 5 . ? 8.980 -79.138 -6.015 1.00 55.85 ? 575 BMA C C3 1 HETATM 8279 C C4 . BMA M 5 . ? 8.062 -79.323 -4.814 1.00 59.84 ? 575 BMA C C4 1 HETATM 8280 C C5 . BMA M 5 . ? 8.744 -80.111 -3.698 1.00 70.17 ? 575 BMA C C5 1 HETATM 8281 C C6 . BMA M 5 . ? 7.730 -80.425 -2.608 1.00 76.47 ? 575 BMA C C6 1 HETATM 8282 O O2 . BMA M 5 . ? 8.598 -81.317 -6.900 1.00 54.94 ? 575 BMA C O2 1 HETATM 8283 O O3 . BMA M 5 . ? 8.238 -78.652 -7.116 1.00 51.20 ? 575 BMA C O3 1 HETATM 8284 O O4 . BMA M 5 . ? 7.661 -78.064 -4.321 1.00 54.20 ? 575 BMA C O4 1 HETATM 8285 O O5 . BMA M 5 . ? 9.253 -81.330 -4.196 1.00 74.70 ? 575 BMA C O5 1 HETATM 8286 O O6 . BMA M 5 . ? 8.294 -81.266 -1.626 1.00 78.28 ? 575 BMA C O6 1 HETATM 8287 H H2 . BMA M 5 . ? 10.377 -80.327 -7.145 1.00 71.70 ? 575 BMA C H2 1 HETATM 8288 H H3 . BMA M 5 . ? 9.781 -78.437 -5.779 1.00 67.01 ? 575 BMA C H3 1 HETATM 8289 H H4 . BMA M 5 . ? 7.184 -79.883 -5.136 1.00 71.81 ? 575 BMA C H4 1 HETATM 8290 H H5 . BMA M 5 . ? 9.528 -79.487 -3.268 1.00 84.21 ? 575 BMA C H5 1 HETATM 8291 H H61 . BMA M 5 . ? 6.859 -80.910 -3.050 1.00 91.77 ? 575 BMA C H61 1 HETATM 8292 H H62 . BMA M 5 . ? 7.396 -79.497 -2.143 1.00 91.77 ? 575 BMA C H62 1 HETATM 8293 H HO2 . BMA M 5 . ? 8.548 -82.132 -6.359 1.00 65.93 ? 575 BMA C HO2 1 HETATM 8294 H HO4 . BMA M 5 . ? 8.065 -77.357 -4.866 1.00 65.04 ? 575 BMA C HO4 1 HETATM 8295 C C1 . MAN N 6 . ? 8.310 -80.552 -0.379 1.00 75.94 ? 576 MAN C C1 1 HETATM 8296 C C2 . MAN N 6 . ? 9.597 -80.829 0.376 1.00 75.82 ? 576 MAN C C2 1 HETATM 8297 C C3 . MAN N 6 . ? 9.729 -82.315 0.684 1.00 78.60 ? 576 MAN C C3 1 HETATM 8298 C C4 . MAN N 6 . ? 8.418 -82.969 1.117 1.00 76.88 ? 576 MAN C C4 1 HETATM 8299 C C5 . MAN N 6 . ? 7.166 -82.373 0.481 1.00 80.51 ? 576 MAN C C5 1 HETATM 8300 C C6 . MAN N 6 . ? 5.960 -82.758 1.323 1.00 89.93 ? 576 MAN C C6 1 HETATM 8301 O O2 . MAN N 6 . ? 9.605 -80.095 1.580 1.00 77.24 ? 576 MAN C O2 1 HETATM 8302 O O3 . MAN N 6 . ? 10.623 -82.448 1.763 1.00 86.68 ? 576 MAN C O3 1 HETATM 8303 O O4 . MAN N 6 . ? 8.466 -84.345 0.806 1.00 73.90 ? 576 MAN C O4 1 HETATM 8304 O O5 . MAN N 6 . ? 7.246 -80.967 0.440 1.00 76.30 ? 576 MAN C O5 1 HETATM 8305 O O6 . MAN N 6 . ? 5.741 -84.151 1.207 1.00 96.94 ? 576 MAN C O6 1 HETATM 8306 H H2 . MAN N 6 . ? 10.435 -80.514 -0.247 1.00 90.99 ? 576 MAN C H2 1 HETATM 8307 H H3 . MAN N 6 . ? 10.142 -82.813 -0.194 1.00 94.32 ? 576 MAN C H3 1 HETATM 8308 H H4 . MAN N 6 . ? 8.311 -82.844 2.194 1.00 92.25 ? 576 MAN C H4 1 HETATM 8309 H H5 . MAN N 6 . ? 7.045 -82.809 -0.511 1.00 96.61 ? 576 MAN C H5 1 HETATM 8310 H H61 . MAN N 6 . ? 5.090 -82.189 0.995 1.00 107.91 ? 576 MAN C H61 1 HETATM 8311 H H62 . MAN N 6 . ? 6.150 -82.506 2.367 1.00 107.91 ? 576 MAN C H62 1 HETATM 8312 H HO2 . MAN N 6 . ? 8.777 -79.576 1.651 1.00 92.69 ? 576 MAN C HO2 1 HETATM 8313 H HO4 . MAN N 6 . ? 9.326 -84.555 0.387 1.00 88.68 ? 576 MAN C HO4 1 HETATM 8314 C C1 . MAN O 6 . ? 4.504 -84.510 1.855 1.00 103.45 ? 577 MAN C C1 1 HETATM 8315 C C2 . MAN O 6 . ? 4.421 -83.873 3.230 1.00 105.89 ? 577 MAN C C2 1 HETATM 8316 C C3 . MAN O 6 . ? 5.624 -84.334 4.034 1.00 110.00 ? 577 MAN C C3 1 HETATM 8317 C C4 . MAN O 6 . ? 5.612 -85.855 4.115 1.00 109.44 ? 577 MAN C C4 1 HETATM 8318 C C5 . MAN O 6 . ? 5.447 -86.490 2.735 1.00 108.23 ? 577 MAN C C5 1 HETATM 8319 C C6 . MAN O 6 . ? 5.180 -87.983 2.885 1.00 111.25 ? 577 MAN C C6 1 HETATM 8320 O O2 . MAN O 6 . ? 3.246 -84.316 3.870 1.00 104.98 ? 577 MAN C O2 1 HETATM 8321 O O3 . MAN O 6 . ? 5.580 -83.776 5.328 1.00 114.16 ? 577 MAN C O3 1 HETATM 8322 O O4 . MAN O 6 . ? 6.820 -86.301 4.691 1.00 107.50 ? 577 MAN C O4 1 HETATM 8323 O O5 . MAN O 6 . ? 4.370 -85.904 2.030 1.00 106.39 ? 577 MAN C O5 1 HETATM 8324 O O6 . MAN O 6 . ? 5.142 -88.598 1.618 1.00 112.90 ? 577 MAN C O6 1 HETATM 8325 H H2 . MAN O 6 . ? 4.380 -82.791 3.105 1.00 127.07 ? 577 MAN C H2 1 HETATM 8326 H H3 . MAN O 6 . ? 6.527 -83.999 3.524 1.00 132.00 ? 577 MAN C H3 1 HETATM 8327 H H4 . MAN O 6 . ? 4.776 -86.159 4.745 1.00 131.33 ? 577 MAN C H4 1 HETATM 8328 H H5 . MAN O 6 . ? 6.379 -86.362 2.185 1.00 129.87 ? 577 MAN C H5 1 HETATM 8329 H H61 . MAN O 6 . ? 4.235 -88.132 3.408 1.00 133.50 ? 577 MAN C H61 1 HETATM 8330 H H62 . MAN O 6 . ? 5.969 -88.434 3.486 1.00 133.50 ? 577 MAN C H62 1 HETATM 8331 H HO2 . MAN O 6 . ? 2.763 -84.929 3.278 1.00 125.98 ? 577 MAN C HO2 1 HETATM 8332 H HO3 . MAN O 6 . ? 4.781 -83.215 5.414 1.00 136.99 ? 577 MAN C HO3 1 HETATM 8333 H HO4 . MAN O 6 . ? 7.384 -85.529 4.904 1.00 129.00 ? 577 MAN C HO4 1 HETATM 8334 H HO6 . MAN O 6 . ? 5.297 -87.925 0.923 1.00 135.49 ? 577 MAN C HO6 1 HETATM 8335 C C1 . MAN P 6 . ? 11.980 -82.427 1.296 1.00 95.38 ? 578 MAN C C1 1 HETATM 8336 C C2 . MAN P 6 . ? 12.774 -83.408 2.144 1.00 98.12 ? 578 MAN C C2 1 HETATM 8337 C C3 . MAN P 6 . ? 12.702 -82.980 3.603 1.00 98.97 ? 578 MAN C C3 1 HETATM 8338 C C4 . MAN P 6 . ? 13.137 -81.524 3.735 1.00 104.59 ? 578 MAN C C4 1 HETATM 8339 C C5 . MAN P 6 . ? 12.410 -80.638 2.728 1.00 103.72 ? 578 MAN C C5 1 HETATM 8340 C C6 . MAN P 6 . ? 12.968 -79.222 2.752 1.00 102.76 ? 578 MAN C C6 1 HETATM 8341 O O2 . MAN P 6 . ? 14.117 -83.447 1.715 1.00 97.94 ? 578 MAN C O2 1 HETATM 8342 O O3 . MAN P 6 . ? 13.548 -83.799 4.378 1.00 93.98 ? 578 MAN C O3 1 HETATM 8343 O O4 . MAN P 6 . ? 12.865 -81.067 5.041 1.00 110.33 ? 578 MAN C O4 1 HETATM 8344 O O5 . MAN P 6 . ? 12.565 -81.153 1.424 1.00 100.41 ? 578 MAN C O5 1 HETATM 8345 O O6 . MAN P 6 . ? 12.283 -78.435 1.802 1.00 103.22 ? 578 MAN C O6 1 HETATM 8346 H H2 . MAN P 6 . ? 12.329 -84.397 2.032 1.00 117.74 ? 578 MAN C H2 1 HETATM 8347 H H3 . MAN P 6 . ? 11.673 -83.095 3.943 1.00 118.76 ? 578 MAN C H3 1 HETATM 8348 H H4 . MAN P 6 . ? 14.209 -81.468 3.545 1.00 125.51 ? 578 MAN C H4 1 HETATM 8349 H H5 . MAN P 6 . ? 11.357 -80.596 3.005 1.00 124.47 ? 578 MAN C H5 1 HETATM 8350 H H61 . MAN P 6 . ? 14.037 -79.249 2.544 1.00 123.31 ? 578 MAN C H61 1 HETATM 8351 H H62 . MAN P 6 . ? 12.830 -78.794 3.745 1.00 123.31 ? 578 MAN C H62 1 HETATM 8352 H HO2 . MAN P 6 . ? 14.238 -82.830 0.964 1.00 117.52 ? 578 MAN C HO2 1 HETATM 8353 H HO3 . MAN P 6 . ? 13.988 -84.456 3.798 1.00 112.77 ? 578 MAN C HO3 1 HETATM 8354 H HO4 . MAN P 6 . ? 12.459 -81.790 5.563 1.00 132.40 ? 578 MAN C HO4 1 HETATM 8355 H HO6 . MAN P 6 . ? 11.609 -78.984 1.348 1.00 123.87 ? 578 MAN C HO6 1 HETATM 8356 C C1 . MAN Q 6 . ? 8.913 -77.552 -7.762 1.00 47.85 ? 579 MAN C C1 1 HETATM 8357 C C2 . MAN Q 6 . ? 7.930 -76.891 -8.720 1.00 48.38 ? 579 MAN C C2 1 HETATM 8358 C C3 . MAN Q 6 . ? 7.515 -77.887 -9.787 1.00 48.63 ? 579 MAN C C3 1 HETATM 8359 C C4 . MAN Q 6 . ? 8.778 -78.331 -10.505 1.00 49.64 ? 579 MAN C C4 1 HETATM 8360 C C5 . MAN Q 6 . ? 9.778 -78.899 -9.503 1.00 49.55 ? 579 MAN C C5 1 HETATM 8361 C C6 . MAN Q 6 . ? 11.064 -79.274 -10.232 1.00 51.25 ? 579 MAN C C6 1 HETATM 8362 O O2 . MAN Q 6 . ? 8.503 -75.773 -9.359 1.00 46.84 ? 579 MAN C O2 1 HETATM 8363 O O3 . MAN Q 6 . ? 6.636 -77.274 -10.700 1.00 47.97 ? 579 MAN C O3 1 HETATM 8364 O O4 . MAN Q 6 . ? 8.461 -79.298 -11.482 1.00 53.63 ? 579 MAN C O4 1 HETATM 8365 O O5 . MAN Q 6 . ? 10.057 -77.947 -8.494 1.00 46.84 ? 579 MAN C O5 1 HETATM 8366 O O6 . MAN Q 6 . ? 11.993 -79.877 -9.359 1.00 52.77 ? 579 MAN C O6 1 HETATM 8367 H H2 . MAN Q 6 . ? 7.055 -76.575 -8.151 1.00 58.05 ? 579 MAN C H2 1 HETATM 8368 H H3 . MAN Q 6 . ? 7.009 -78.721 -9.299 1.00 58.36 ? 579 MAN C H3 1 HETATM 8369 H H4 . MAN Q 6 . ? 9.222 -77.460 -10.987 1.00 59.56 ? 579 MAN C H4 1 HETATM 8370 H H5 . MAN Q 6 . ? 9.353 -79.805 -9.070 1.00 59.46 ? 579 MAN C H5 1 HETATM 8371 H H61 . MAN Q 6 . ? 11.511 -78.379 -10.665 1.00 61.50 ? 579 MAN C H61 1 HETATM 8372 H H62 . MAN Q 6 . ? 10.833 -79.960 -11.047 1.00 61.50 ? 579 MAN C H62 1 HETATM 8373 H HO3 . MAN Q 6 . ? 6.492 -76.341 -10.438 1.00 57.56 ? 579 MAN C HO3 1 HETATM 8374 H HO4 . MAN Q 6 . ? 7.495 -79.464 -11.475 1.00 64.36 ? 579 MAN C HO4 1 HETATM 8375 H HO6 . MAN Q 6 . ? 11.610 -79.928 -8.459 1.00 63.32 ? 579 MAN C HO6 1 HETATM 8376 C C1 . NAG R 4 . ? 8.378 -74.611 -8.523 1.00 46.82 ? 580 NAG C C1 1 HETATM 8377 C C2 . NAG R 4 . ? 9.679 -73.818 -8.557 1.00 46.15 ? 580 NAG C C2 1 HETATM 8378 C C3 . NAG R 4 . ? 9.567 -72.518 -7.764 1.00 43.92 ? 580 NAG C C3 1 HETATM 8379 C C4 . NAG R 4 . ? 8.249 -71.791 -8.026 1.00 46.12 ? 580 NAG C C4 1 HETATM 8380 C C5 . NAG R 4 . ? 7.055 -72.730 -8.069 1.00 53.75 ? 580 NAG C C5 1 HETATM 8381 C C6 . NAG R 4 . ? 5.818 -71.971 -8.534 1.00 65.47 ? 580 NAG C C6 1 HETATM 8382 C C7 . NAG R 4 . ? 11.646 -75.223 -8.819 1.00 54.96 ? 580 NAG C C7 1 HETATM 8383 C C8 . NAG R 4 . ? 12.673 -76.079 -8.138 1.00 55.25 ? 580 NAG C C8 1 HETATM 8384 N N2 . NAG R 4 . ? 10.753 -74.634 -8.026 1.00 51.07 ? 580 NAG C N2 1 HETATM 8385 O O3 . NAG R 4 . ? 10.648 -71.674 -8.098 1.00 42.91 ? 580 NAG C O3 1 HETATM 8386 O O4 . NAG R 4 . ? 7.999 -70.874 -6.986 1.00 44.29 ? 580 NAG C O4 1 HETATM 8387 O O5 . NAG R 4 . ? 7.303 -73.803 -8.943 1.00 50.40 ? 580 NAG C O5 1 HETATM 8388 O O6 . NAG R 4 . ? 4.681 -72.781 -8.345 1.00 77.79 ? 580 NAG C O6 1 HETATM 8389 O O7 . NAG R 4 . ? 11.656 -75.095 -10.043 1.00 55.57 ? 580 NAG C O7 1 HETATM 8390 H H2 . NAG R 4 . ? 9.906 -73.577 -9.595 1.00 55.38 ? 580 NAG C H2 1 HETATM 8391 H H3 . NAG R 4 . ? 9.609 -72.759 -6.702 1.00 52.71 ? 580 NAG C H3 1 HETATM 8392 H H4 . NAG R 4 . ? 8.335 -71.255 -8.971 1.00 55.35 ? 580 NAG C H4 1 HETATM 8393 H H5 . NAG R 4 . ? 6.871 -73.098 -7.059 1.00 64.50 ? 580 NAG C H5 1 HETATM 8394 H H61 . NAG R 4 . ? 5.936 -71.691 -9.580 1.00 78.56 ? 580 NAG C H61 1 HETATM 8395 H H62 . NAG R 4 . ? 5.713 -71.056 -7.952 1.00 78.56 ? 580 NAG C H62 1 HETATM 8396 H H81 . NAG R 4 . ? 13.669 -75.690 -8.350 1.00 66.30 ? 580 NAG C H81 1 HETATM 8397 H H82 . NAG R 4 . ? 12.597 -77.102 -8.509 1.00 66.30 ? 580 NAG C H82 1 HETATM 8398 H H83 . NAG R 4 . ? 12.499 -76.069 -7.062 1.00 66.30 ? 580 NAG C H83 1 HETATM 8399 H HN2 . NAG R 4 . ? 10.815 -74.752 -7.025 1.00 61.28 ? 580 NAG C HN2 1 HETATM 8400 H HO3 . NAG R 4 . ? 11.218 -72.119 -8.760 1.00 51.49 ? 580 NAG C HO3 1 HETATM 8401 H HO6 . NAG R 4 . ? 4.951 -73.640 -7.960 1.00 93.35 ? 580 NAG C HO6 1 HETATM 8402 C C1 . GAL S 7 . ? 8.682 -69.637 -7.228 1.00 40.01 ? 581 GAL C C1 1 HETATM 8403 C C2 . GAL S 7 . ? 7.878 -68.522 -6.570 1.00 42.67 ? 581 GAL C C2 1 HETATM 8404 C C3 . GAL S 7 . ? 8.590 -67.181 -6.700 1.00 41.61 ? 581 GAL C C3 1 HETATM 8405 C C4 . GAL S 7 . ? 10.042 -67.313 -6.262 1.00 43.10 ? 581 GAL C C4 1 HETATM 8406 C C5 . GAL S 7 . ? 10.690 -68.475 -7.000 1.00 39.78 ? 581 GAL C C5 1 HETATM 8407 C C6 . GAL S 7 . ? 12.144 -68.677 -6.605 1.00 38.92 ? 581 GAL C C6 1 HETATM 8408 O O2 . GAL S 7 . ? 6.601 -68.445 -7.166 1.00 45.20 ? 581 GAL C O2 1 HETATM 8409 O O3 . GAL S 7 . ? 7.933 -66.215 -5.910 1.00 41.70 ? 581 GAL C O3 1 HETATM 8410 O O4 . GAL S 7 . ? 10.105 -67.549 -4.874 1.00 48.67 ? 581 GAL C O4 1 HETATM 8411 O O5 . GAL S 7 . ? 9.988 -69.657 -6.704 1.00 38.40 ? 581 GAL C O5 1 HETATM 8412 O O6 . GAL S 7 . ? 12.638 -69.752 -7.373 1.00 41.69 ? 581 GAL C O6 1 HETATM 8413 H H2 . GAL S 7 . ? 7.770 -68.755 -5.511 1.00 51.20 ? 581 GAL C H2 1 HETATM 8414 H H3 . GAL S 7 . ? 8.560 -66.877 -7.746 1.00 49.94 ? 581 GAL C H3 1 HETATM 8415 H H4 . GAL S 7 . ? 10.557 -66.381 -6.495 1.00 51.72 ? 581 GAL C H4 1 HETATM 8416 H H5 . GAL S 7 . ? 10.651 -68.267 -8.069 1.00 47.74 ? 581 GAL C H5 1 HETATM 8417 H H61 . GAL S 7 . ? 12.208 -68.848 -5.530 1.00 46.70 ? 581 GAL C H61 1 HETATM 8418 H H62 . GAL S 7 . ? 12.712 -67.775 -6.835 1.00 46.70 ? 581 GAL C H62 1 HETATM 8419 H HO2 . GAL S 7 . ? 6.527 -69.127 -7.866 1.00 54.24 ? 581 GAL C HO2 1 HETATM 8420 H HO3 . GAL S 7 . ? 7.168 -66.628 -5.458 1.00 50.04 ? 581 GAL C HO3 1 HETATM 8421 H HO4 . GAL S 7 . ? 9.197 -67.575 -4.506 1.00 58.41 ? 581 GAL C HO4 1 HETATM 8422 C C1 . SIA T 8 . ? 14.769 -69.356 -6.234 1.00 52.27 ? 582 SIA C C1 1 HETATM 8423 C C2 . SIA T 8 . ? 13.734 -70.367 -6.675 1.00 44.07 ? 582 SIA C C2 1 HETATM 8424 C C3 . SIA T 8 . ? 14.278 -71.266 -7.786 1.00 40.23 ? 582 SIA C C3 1 HETATM 8425 C C4 . SIA T 8 . ? 15.185 -72.362 -7.253 1.00 39.52 ? 582 SIA C C4 1 HETATM 8426 C C5 . SIA T 8 . ? 14.491 -73.108 -6.132 1.00 44.04 ? 582 SIA C C5 1 HETATM 8427 C C6 . SIA T 8 . ? 14.057 -72.151 -5.032 1.00 42.46 ? 582 SIA C C6 1 HETATM 8428 C C7 . SIA T 8 . ? 13.263 -72.887 -3.963 1.00 45.01 ? 582 SIA C C7 1 HETATM 8429 C C8 . SIA T 8 . ? 12.810 -71.929 -2.869 1.00 49.13 ? 582 SIA C C8 1 HETATM 8430 C C9 . SIA T 8 . ? 12.476 -72.716 -1.609 1.00 55.99 ? 582 SIA C C9 1 HETATM 8431 C C10 . SIA T 8 . ? 14.957 -75.266 -5.107 1.00 50.57 ? 582 SIA C C10 1 HETATM 8432 C C11 . SIA T 8 . ? 16.028 -76.184 -4.597 1.00 44.13 ? 582 SIA C C11 1 HETATM 8433 N N5 . SIA T 8 . ? 15.392 -74.111 -5.600 1.00 48.75 ? 582 SIA C N5 1 HETATM 8434 O O1A . SIA T 8 . ? 14.812 -69.031 -5.025 1.00 55.28 ? 582 SIA C O1A 1 HETATM 8435 O O1B . SIA T 8 . ? 15.541 -68.875 -7.091 1.00 53.33 ? 582 SIA C O1B 1 HETATM 8436 O O4 . SIA T 8 . ? 15.510 -73.284 -8.299 1.00 40.26 ? 582 SIA C O4 1 HETATM 8437 O O6 . SIA T 8 . ? 13.257 -71.071 -5.521 1.00 43.32 ? 582 SIA C O6 1 HETATM 8438 O O7 . SIA T 8 . ? 12.123 -73.519 -4.555 1.00 48.81 ? 582 SIA C O7 1 HETATM 8439 O O8 . SIA T 8 . ? 13.843 -70.972 -2.614 1.00 46.83 ? 582 SIA C O8 1 HETATM 8440 O O9 . SIA T 8 . ? 12.447 -71.870 -0.460 1.00 64.53 ? 582 SIA C O9 1 HETATM 8441 O O10 . SIA T 8 . ? 13.774 -75.559 -5.072 1.00 57.30 ? 582 SIA C O10 1 HETATM 8442 H H31 . SIA T 8 . ? 14.835 -70.656 -8.501 1.00 48.28 ? 582 SIA C H31 1 HETATM 8443 H H32 . SIA T 8 . ? 13.442 -71.722 -8.321 1.00 48.28 ? 582 SIA C H32 1 HETATM 8444 H H4 . SIA T 8 . ? 16.102 -71.902 -6.859 1.00 47.42 ? 582 SIA C H4 1 HETATM 8445 H H5 . SIA T 8 . ? 13.601 -73.607 -6.539 1.00 52.85 ? 582 SIA C H5 1 HETATM 8446 H H6 . SIA T 8 . ? 14.962 -71.743 -4.561 1.00 50.95 ? 582 SIA C H6 1 HETATM 8447 H H7 . SIA T 8 . ? 13.913 -73.648 -3.510 1.00 54.02 ? 582 SIA C H7 1 HETATM 8448 H H8 . SIA T 8 . ? 11.902 -71.412 -3.210 1.00 58.95 ? 582 SIA C H8 1 HETATM 8449 H H91 . SIA T 8 . ? 13.221 -73.501 -1.462 1.00 67.18 ? 582 SIA C H91 1 HETATM 8450 H H92 . SIA T 8 . ? 11.503 -73.198 -1.729 1.00 67.18 ? 582 SIA C H92 1 HETATM 8451 H H111 . SIA T 8 . ? 16.979 -75.767 -4.804 1.00 52.95 ? 582 SIA C H111 1 HETATM 8452 H H112 . SIA T 8 . ? 15.944 -77.125 -5.076 1.00 52.95 ? 582 SIA C H112 1 HETATM 8453 H H113 . SIA T 8 . ? 15.918 -76.309 -3.551 1.00 52.95 ? 582 SIA C H113 1 HETATM 8454 H HN5 . SIA T 8 . ? 16.382 -73.912 -5.607 1.00 58.51 ? 582 SIA C HN5 1 HETATM 8455 H HO4 . SIA T 8 . ? 15.882 -72.801 -9.050 1.00 48.31 ? 582 SIA C HO4 1 HETATM 8456 H HO7 . SIA T 8 . ? 11.666 -74.049 -3.888 1.00 58.58 ? 582 SIA C HO7 1 HETATM 8457 H HO8 . SIA T 8 . ? 13.525 -70.317 -1.976 1.00 56.19 ? 582 SIA C HO8 1 HETATM 8458 H HO9 . SIA T 8 . ? 12.156 -72.379 0.309 1.00 77.44 ? 582 SIA C HO9 1 HETATM 8459 O O . HOH U 9 . ? 17.188 -61.478 2.855 1.00 26.27 ? 301 HOH H O 1 HETATM 8460 O O . HOH U 9 . ? 32.805 -75.294 7.982 1.00 30.11 ? 302 HOH H O 1 HETATM 8461 O O . HOH U 9 . ? 25.682 -66.483 -12.008 1.00 33.84 ? 303 HOH H O 1 HETATM 8462 O O . HOH U 9 . ? 19.553 -56.281 8.027 1.00 30.48 ? 304 HOH H O 1 HETATM 8463 O O . HOH U 9 . ? 26.417 -77.786 -0.121 1.00 40.20 ? 305 HOH H O 1 HETATM 8464 O O . HOH U 9 . ? 13.286 -66.526 -3.616 1.00 40.64 ? 306 HOH H O 1 HETATM 8465 O O . HOH U 9 . ? 21.201 -53.570 3.566 1.00 28.10 ? 307 HOH H O 1 HETATM 8466 O O . HOH U 9 . ? 18.463 -61.019 5.338 1.00 27.87 ? 308 HOH H O 1 HETATM 8467 O O . HOH U 9 . ? 35.183 -76.791 7.799 1.00 37.44 ? 309 HOH H O 1 HETATM 8468 O O . HOH U 9 . ? 28.345 -76.196 3.326 1.00 35.10 ? 310 HOH H O 1 HETATM 8469 O O . HOH U 9 . ? 23.870 -89.042 6.405 1.00 48.29 ? 311 HOH H O 1 HETATM 8470 O O . HOH U 9 . ? 20.075 -62.027 -13.042 1.00 34.59 ? 312 HOH H O 1 HETATM 8471 O O . HOH U 9 . ? 19.928 -42.799 -9.687 1.00 23.86 ? 313 HOH H O 1 HETATM 8472 O O . HOH U 9 . ? 32.084 -37.476 -1.825 1.00 54.12 ? 314 HOH H O 1 HETATM 8473 O O . HOH U 9 . ? 23.259 -19.644 8.561 1.00 42.71 ? 315 HOH H O 1 HETATM 8474 O O . HOH U 9 . ? 39.244 -30.151 -9.446 1.00 53.79 ? 316 HOH H O 1 HETATM 8475 O O . HOH U 9 . ? 28.578 -78.444 1.192 1.00 48.05 ? 317 HOH H O 1 HETATM 8476 O O . HOH U 9 . ? 17.938 -54.608 7.259 1.00 37.98 ? 318 HOH H O 1 HETATM 8477 O O . HOH U 9 . ? 15.371 -48.474 -9.857 1.00 24.72 ? 319 HOH H O 1 HETATM 8478 O O . HOH U 9 . ? 12.436 -57.446 -9.264 1.00 43.66 ? 320 HOH H O 1 HETATM 8479 O O . HOH U 9 . ? 22.505 -47.662 -20.022 1.00 27.98 ? 321 HOH H O 1 HETATM 8480 O O . HOH U 9 . ? 20.653 -49.118 -1.600 1.00 37.32 ? 322 HOH H O 1 HETATM 8481 O O . HOH U 9 . ? 38.308 -61.731 -7.287 1.00 40.64 ? 323 HOH H O 1 HETATM 8482 O O . HOH U 9 . ? 34.343 -15.092 6.050 1.00 44.46 ? 324 HOH H O 1 HETATM 8483 O O . HOH U 9 . ? 27.790 -49.586 5.761 1.00 39.09 ? 325 HOH H O 1 HETATM 8484 O O . HOH U 9 . ? 33.250 -36.450 3.502 1.00 52.72 ? 326 HOH H O 1 HETATM 8485 O O . HOH U 9 . ? 33.342 -60.625 -12.324 1.00 52.65 ? 327 HOH H O 1 HETATM 8486 O O . HOH U 9 . ? 30.867 -80.614 -4.873 1.00 49.30 ? 328 HOH H O 1 HETATM 8487 O O . HOH U 9 . ? 26.288 -50.492 8.079 1.00 34.87 ? 329 HOH H O 1 HETATM 8488 O O . HOH U 9 . ? 12.996 -47.880 -8.831 1.00 37.39 ? 330 HOH H O 1 HETATM 8489 O O . HOH U 9 . ? 38.056 -63.517 3.454 1.00 35.59 ? 331 HOH H O 1 HETATM 8490 O O . HOH U 9 . ? 36.682 -64.600 7.165 1.00 49.38 ? 332 HOH H O 1 HETATM 8491 O O . HOH U 9 . ? 30.469 -42.318 -6.676 1.00 38.95 ? 333 HOH H O 1 HETATM 8492 O O . HOH U 9 . ? 32.604 -43.450 -7.002 1.00 49.91 ? 334 HOH H O 1 HETATM 8493 O O . HOH U 9 . ? 41.218 -27.637 6.144 1.00 54.86 ? 335 HOH H O 1 HETATM 8494 O O . HOH U 9 . ? 21.952 -50.161 -18.862 1.00 57.57 ? 336 HOH H O 1 HETATM 8495 O O . HOH U 9 . ? 18.066 -59.777 -0.522 1.00 30.39 ? 337 HOH H O 1 HETATM 8496 O O . HOH U 9 . ? 34.549 -52.267 -4.533 1.00 34.09 ? 338 HOH H O 1 HETATM 8497 O O . HOH U 9 . ? 40.028 -29.038 -1.582 1.00 52.61 ? 339 HOH H O 1 HETATM 8498 O O . HOH U 9 . ? 29.145 -52.698 4.251 1.00 44.01 ? 340 HOH H O 1 HETATM 8499 O O . HOH U 9 . ? 16.320 -53.548 -3.007 1.00 46.76 ? 341 HOH H O 1 HETATM 8500 O O . HOH U 9 . ? 21.494 -43.124 -7.076 1.00 49.89 ? 342 HOH H O 1 HETATM 8501 O O . HOH U 9 . ? 24.968 -39.273 -19.523 1.00 52.39 ? 343 HOH H O 1 HETATM 8502 O O . HOH U 9 . ? 31.718 -52.762 4.612 1.00 44.07 ? 344 HOH H O 1 HETATM 8503 O O . HOH U 9 . ? 23.137 -19.363 5.030 1.00 50.23 ? 345 HOH H O 1 HETATM 8504 O O . HOH U 9 . ? 16.453 -64.619 -8.960 1.00 48.99 ? 346 HOH H O 1 HETATM 8505 O O . HOH U 9 . ? 11.633 -49.611 -8.074 1.00 39.10 ? 347 HOH H O 1 HETATM 8506 O O . HOH U 9 . ? 35.130 -9.884 14.892 1.00 64.42 ? 348 HOH H O 1 HETATM 8507 O O . HOH U 9 . ? 35.983 -66.484 -13.283 1.00 50.33 ? 349 HOH H O 1 HETATM 8508 O O . HOH U 9 . ? 27.041 -67.869 -17.413 1.00 49.56 ? 350 HOH H O 1 HETATM 8509 O O . HOH U 9 . ? 34.823 -15.542 21.727 1.00 55.35 ? 351 HOH H O 1 HETATM 8510 O O . HOH U 9 . ? 33.253 -16.447 -2.540 1.00 43.47 ? 352 HOH H O 1 HETATM 8511 O O . HOH U 9 . ? 31.491 -29.249 14.721 1.00 55.96 ? 353 HOH H O 1 HETATM 8512 O O . HOH U 9 . ? 33.902 -79.430 8.443 1.00 50.66 ? 354 HOH H O 1 HETATM 8513 O O . HOH U 9 . ? 27.933 -50.579 2.793 1.00 51.53 ? 355 HOH H O 1 HETATM 8514 O O . HOH U 9 . ? 44.525 -24.730 12.886 1.00 42.58 ? 356 HOH H O 1 HETATM 8515 O O . HOH U 9 . ? 9.550 -51.285 -9.020 1.00 55.31 ? 357 HOH H O 1 HETATM 8516 O O . HOH U 9 . ? 33.106 -69.481 -15.834 1.00 51.76 ? 358 HOH H O 1 HETATM 8517 O O . HOH U 9 . ? 28.245 -40.937 -15.159 1.00 57.14 ? 359 HOH H O 1 HETATM 8518 O O . HOH V 9 . ? 25.668 -28.331 16.591 1.00 34.36 ? 301 HOH L O 1 HETATM 8519 O O . HOH V 9 . ? 26.064 -47.741 21.186 1.00 33.84 ? 302 HOH L O 1 HETATM 8520 O O . HOH V 9 . ? 16.965 -70.872 14.208 1.00 37.55 ? 303 HOH L O 1 HETATM 8521 O O . HOH V 9 . ? 23.096 -71.853 13.643 1.00 35.59 ? 304 HOH L O 1 HETATM 8522 O O . HOH V 9 . ? 14.358 -57.364 19.721 1.00 42.32 ? 305 HOH L O 1 HETATM 8523 O O . HOH V 9 . ? 18.373 -52.762 14.804 1.00 31.69 ? 306 HOH L O 1 HETATM 8524 O O . HOH V 9 . ? 27.918 -38.199 9.894 1.00 25.12 ? 307 HOH L O 1 HETATM 8525 O O . HOH V 9 . ? 29.787 -44.969 20.007 1.00 40.90 ? 308 HOH L O 1 HETATM 8526 O O . HOH V 9 . ? 34.197 -57.950 12.332 1.00 34.88 ? 309 HOH L O 1 HETATM 8527 O O . HOH V 9 . ? 16.254 -54.574 13.744 1.00 20.54 ? 310 HOH L O 1 HETATM 8528 O O . HOH V 9 . ? 27.612 -64.512 28.452 1.00 41.53 ? 311 HOH L O 1 HETATM 8529 O O . HOH V 9 . ? 27.566 -52.271 10.252 1.00 29.94 ? 312 HOH L O 1 HETATM 8530 O O . HOH V 9 . ? 23.577 -46.614 25.173 1.00 37.62 ? 313 HOH L O 1 HETATM 8531 O O . HOH V 9 . ? 12.034 -68.004 4.143 1.00 33.47 ? 314 HOH L O 1 HETATM 8532 O O . HOH V 9 . ? 37.650 -55.674 29.947 1.00 47.13 ? 315 HOH L O 1 HETATM 8533 O O . HOH V 9 . ? 23.869 -46.355 22.617 1.00 43.39 ? 316 HOH L O 1 HETATM 8534 O O . HOH V 9 . ? 38.895 -54.154 27.542 1.00 37.66 ? 317 HOH L O 1 HETATM 8535 O O . HOH V 9 . ? 6.244 -35.309 5.112 1.00 49.53 ? 318 HOH L O 1 HETATM 8536 O O . HOH V 9 . ? 21.514 -47.770 26.347 1.00 25.98 ? 319 HOH L O 1 HETATM 8537 O O . HOH V 9 . ? 33.274 -37.154 26.313 1.00 48.40 ? 320 HOH L O 1 HETATM 8538 O O . HOH V 9 . ? 30.196 -58.114 34.037 1.00 44.43 ? 321 HOH L O 1 HETATM 8539 O O . HOH V 9 . ? 17.715 -59.011 6.521 1.00 33.47 ? 322 HOH L O 1 HETATM 8540 O O . HOH V 9 . ? 35.093 -59.163 20.256 1.00 27.48 ? 323 HOH L O 1 HETATM 8541 O O . HOH V 9 . ? 20.945 -24.351 4.114 1.00 47.91 ? 324 HOH L O 1 HETATM 8542 O O . HOH V 9 . ? 19.134 -39.326 28.041 1.00 40.58 ? 325 HOH L O 1 HETATM 8543 O O . HOH V 9 . ? 35.738 -48.402 24.573 1.00 44.95 ? 326 HOH L O 1 HETATM 8544 O O . HOH V 9 . ? 15.817 -64.063 3.459 1.00 29.90 ? 327 HOH L O 1 HETATM 8545 O O . HOH V 9 . ? 34.111 -70.929 25.117 1.00 63.85 ? 328 HOH L O 1 HETATM 8546 O O . HOH V 9 . ? 20.848 -42.875 21.155 1.00 43.24 ? 329 HOH L O 1 HETATM 8547 O O . HOH V 9 . ? 22.048 -69.049 11.199 1.00 36.81 ? 330 HOH L O 1 HETATM 8548 O O . HOH V 9 . ? 17.525 -42.792 22.037 1.00 35.68 ? 331 HOH L O 1 HETATM 8549 O O . HOH V 9 . ? 34.902 -66.476 13.958 1.00 40.10 ? 332 HOH L O 1 HETATM 8550 O O . HOH V 9 . ? 21.048 -66.795 20.203 1.00 40.13 ? 333 HOH L O 1 HETATM 8551 O O . HOH V 9 . ? 33.874 -45.682 22.481 1.00 34.52 ? 334 HOH L O 1 HETATM 8552 O O . HOH V 9 . ? 19.531 -35.716 24.233 1.00 54.21 ? 335 HOH L O 1 HETATM 8553 O O . HOH V 9 . ? 10.908 -66.414 7.966 1.00 32.56 ? 336 HOH L O 1 HETATM 8554 O O . HOH V 9 . ? 18.380 -76.606 11.767 1.00 37.00 ? 337 HOH L O 1 HETATM 8555 O O . HOH V 9 . ? 36.718 -59.899 10.403 1.00 51.66 ? 338 HOH L O 1 HETATM 8556 O O . HOH V 9 . ? 29.628 -42.215 8.903 1.00 41.32 ? 339 HOH L O 1 HETATM 8557 O O . HOH V 9 . ? 13.660 -64.600 1.762 1.00 32.11 ? 340 HOH L O 1 HETATM 8558 O O . HOH V 9 . ? 28.750 -40.420 31.734 1.00 41.05 ? 341 HOH L O 1 HETATM 8559 O O . HOH V 9 . ? 19.990 -54.267 25.822 1.00 40.14 ? 342 HOH L O 1 HETATM 8560 O O . HOH V 9 . ? 19.969 -72.392 4.378 1.00 46.55 ? 343 HOH L O 1 HETATM 8561 O O . HOH V 9 . ? 13.505 -37.112 17.597 1.00 49.18 ? 344 HOH L O 1 HETATM 8562 O O . HOH V 9 . ? 10.718 -63.285 10.120 1.00 54.54 ? 345 HOH L O 1 HETATM 8563 O O . HOH V 9 . ? 21.559 -37.260 25.450 1.00 44.75 ? 346 HOH L O 1 HETATM 8564 O O . HOH V 9 . ? 21.527 -64.627 26.015 1.00 45.85 ? 347 HOH L O 1 HETATM 8565 O O . HOH V 9 . ? 30.361 -43.221 30.251 1.00 44.38 ? 348 HOH L O 1 HETATM 8566 O O . HOH V 9 . ? 35.412 -50.127 33.501 1.00 37.18 ? 349 HOH L O 1 HETATM 8567 O O . HOH V 9 . ? 29.560 -66.330 29.104 1.00 41.21 ? 350 HOH L O 1 HETATM 8568 O O . HOH V 9 . ? 31.356 -51.296 12.229 1.00 53.37 ? 351 HOH L O 1 HETATM 8569 O O . HOH V 9 . ? 13.589 -39.699 16.527 1.00 49.60 ? 352 HOH L O 1 HETATM 8570 O O . HOH V 9 . ? 15.045 -27.493 -2.423 1.00 52.80 ? 353 HOH L O 1 HETATM 8571 O O . HOH V 9 . ? 23.780 -67.882 8.677 1.00 47.99 ? 354 HOH L O 1 HETATM 8572 O O . HOH V 9 . ? 10.873 -36.525 10.145 1.00 44.92 ? 355 HOH L O 1 HETATM 8573 O O . HOH V 9 . ? 18.259 -51.462 10.588 1.00 38.20 ? 356 HOH L O 1 HETATM 8574 O O . HOH V 9 . ? 12.398 -37.962 9.452 1.00 45.45 ? 357 HOH L O 1 HETATM 8575 O O . HOH V 9 . ? 38.992 -62.534 29.495 1.00 51.87 ? 358 HOH L O 1 HETATM 8576 O O . HOH V 9 . ? 37.227 -63.986 21.175 1.00 47.97 ? 359 HOH L O 1 HETATM 8577 O O . HOH V 9 . ? 37.920 -63.853 27.947 1.00 49.33 ? 360 HOH L O 1 HETATM 8578 O O . HOH V 9 . ? 26.353 -69.836 25.070 1.00 48.26 ? 361 HOH L O 1 HETATM 8579 O O . HOH V 9 . ? 7.965 -26.357 13.697 1.00 60.79 ? 362 HOH L O 1 HETATM 8580 O O . HOH V 9 . ? 17.070 -50.146 13.935 1.00 45.04 ? 363 HOH L O 1 HETATM 8581 O O . HOH V 9 . ? 30.402 -74.086 22.655 1.00 46.22 ? 364 HOH L O 1 HETATM 8582 O O . HOH V 9 . ? 5.094 -66.502 14.415 1.00 50.89 ? 365 HOH L O 1 HETATM 8583 O O . HOH V 9 . ? 33.409 -44.839 19.384 1.00 53.00 ? 366 HOH L O 1 HETATM 8584 O O . HOH V 9 . ? 15.557 -50.077 19.179 1.00 41.31 ? 367 HOH L O 1 HETATM 8585 O O . HOH V 9 . ? 21.504 -75.530 20.093 1.00 51.69 ? 368 HOH L O 1 HETATM 8586 O O . HOH V 9 . ? 32.964 -73.994 23.729 1.00 48.58 ? 369 HOH L O 1 HETATM 8587 O O . HOH V 9 . ? 16.702 -33.874 2.014 1.00 53.19 ? 370 HOH L O 1 HETATM 8588 O O . HOH V 9 . ? 16.315 -6.215 11.021 1.00 58.47 ? 371 HOH L O 1 HETATM 8589 O O . HOH V 9 . ? 22.054 -27.414 21.216 1.00 54.61 ? 372 HOH L O 1 HETATM 8590 O O . HOH V 9 . ? 14.743 -38.761 0.470 1.00 56.56 ? 373 HOH L O 1 HETATM 8591 O O . HOH V 9 . ? 12.287 -38.183 24.483 1.00 53.91 ? 374 HOH L O 1 HETATM 8592 O O . HOH V 9 . ? 5.944 -70.683 6.344 1.00 62.12 ? 375 HOH L O 1 HETATM 8593 O O . HOH W 9 . ? 22.177 -79.883 10.169 1.00 35.57 ? 401 HOH C O 1 HETATM 8594 O O . HOH W 9 . ? 16.672 -77.261 14.183 1.00 34.96 ? 402 HOH C O 1 HETATM 8595 O O . HOH W 9 . ? 14.526 -75.715 6.396 1.00 44.14 ? 403 HOH C O 1 HETATM 8596 O O . HOH W 9 . ? 10.136 -71.853 -4.308 1.00 39.04 ? 404 HOH C O 1 HETATM 8597 O O . HOH W 9 . ? 9.475 -68.973 -11.523 1.00 40.18 ? 405 HOH C O 1 HETATM 8598 O O . HOH W 9 . ? 11.496 -70.778 -10.332 1.00 50.06 ? 406 HOH C O 1 HETATM 8599 O O . HOH W 9 . ? 18.036 -121.343 28.139 1.00 48.91 ? 407 HOH C O 1 HETATM 8600 O O . HOH W 9 . ? 10.287 -75.421 -5.462 1.00 46.54 ? 408 HOH C O 1 HETATM 8601 O O . HOH W 9 . ? 20.785 -106.310 2.410 1.00 41.95 ? 409 HOH C O 1 HETATM 8602 O O . HOH W 9 . ? 5.097 -82.197 12.498 1.00 61.44 ? 410 HOH C O 1 HETATM 8603 O O . HOH W 9 . ? 5.991 -84.714 11.055 1.00 64.96 ? 411 HOH C O 1 HETATM 8604 O O . HOH W 9 . ? 9.419 -64.319 -4.256 1.00 51.56 ? 412 HOH C O 1 HETATM 8605 O O . HOH W 9 . ? 25.390 -126.702 25.177 1.00 53.36 ? 413 HOH C O 1 HETATM 8606 O O . HOH W 9 . ? 6.583 -100.889 -10.906 1.00 70.34 ? 414 HOH C O 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 . PCA A 1 ? 1.0580 1.3233 1.3340 0.2173 -0.2005 0.1071 1 PCA H N 2 C CA . PCA A 1 ? 0.9354 1.2326 1.2309 0.1894 -0.2018 0.1072 1 PCA H CA 3 C CB . PCA A 1 ? 1.0039 1.3689 1.3769 0.1971 -0.1880 0.1197 1 PCA H CB 4 C CG . PCA A 1 ? 1.1077 1.4738 1.4994 0.2346 -0.1635 0.1206 1 PCA H CG 5 C CD . PCA A 1 ? 1.1683 1.4759 1.5048 0.2454 -0.1782 0.1160 1 PCA H CD 6 O OE . PCA A 1 ? 1.2892 1.5781 1.6265 0.2715 -0.1696 0.1171 1 PCA H OE 7 C C . PCA A 1 ? 0.7847 1.0483 1.0298 0.1784 -0.1737 0.0854 1 PCA H C 8 O O . PCA A 1 ? 0.7620 1.0553 1.0298 0.1710 -0.1543 0.0836 1 PCA H O 14 N N . GLU A 2 ? 0.7099 0.9123 0.8881 0.1769 -0.1722 0.0709 2 GLU H N 15 C CA . GLU A 2 ? 0.6649 0.8342 0.7966 0.1678 -0.1481 0.0520 2 GLU H CA 16 C C . GLU A 2 ? 0.6062 0.7982 0.7473 0.1429 -0.1458 0.0496 2 GLU H C 17 O O . GLU A 2 ? 0.5932 0.7833 0.7278 0.1212 -0.1698 0.0534 2 GLU H O 18 C CB . GLU A 2 ? 0.7192 0.8268 0.7842 0.1596 -0.1560 0.0421 2 GLU H CB 19 C CG . GLU A 2 ? 0.8222 0.8961 0.8679 0.1823 -0.1549 0.0428 2 GLU H CG 20 C CD . GLU A 2 ? 0.9384 1.0087 0.9896 0.1876 -0.1856 0.0576 2 GLU H CD 21 O OE1 . GLU A 2 ? 0.9168 1.0267 1.0076 0.1811 -0.2068 0.0704 2 GLU H OE1 22 O OE2 . GLU A 2 ? 1.0509 1.0773 1.0658 0.1969 -0.1905 0.0577 2 GLU H OE2 29 N N . GLN A 3 ? 0.5640 0.7723 0.7155 0.1463 -0.1176 0.0434 3 GLN H N 30 C CA . GLN A 3 ? 0.4941 0.7232 0.6555 0.1244 -0.1133 0.0426 3 GLN H CA 31 C C . GLN A 3 ? 0.4286 0.6388 0.5590 0.1242 -0.0850 0.0280 3 GLN H C 32 O O . GLN A 3 ? 0.4306 0.6352 0.5561 0.1444 -0.0632 0.0228 3 GLN H O 33 C CB . GLN A 3 ? 0.5317 0.8243 0.7634 0.1259 -0.1129 0.0602 3 GLN H CB 34 C CG . GLN A 3 ? 0.6309 0.9441 0.8756 0.1004 -0.1124 0.0626 3 GLN H CG 35 C CD . GLN A 3 ? 0.7596 1.1385 1.0793 0.0983 -0.1145 0.0837 3 GLN H CD 36 O OE1 . GLN A 3 ? 0.8451 1.2585 1.2120 0.1166 -0.1182 0.0978 3 GLN H OE1 37 N NE2 . GLN A 3 ? 0.7698 1.1673 1.1040 0.0760 -0.1120 0.0879 3 GLN H NE2 46 N N . LEU A 4 ? 0.3779 0.5747 0.4844 0.1017 -0.0871 0.0217 4 LEU H N 47 C CA . LEU A 4 ? 0.3555 0.5392 0.4372 0.0983 -0.0648 0.0107 4 LEU H CA 48 C C . LEU A 4 ? 0.3931 0.6043 0.4963 0.0804 -0.0628 0.0162 4 LEU H C 49 O O . LEU A 4 ? 0.4523 0.6656 0.5607 0.0622 -0.0829 0.0214 4 LEU H O 50 C CB . LEU A 4 ? 0.3446 0.4799 0.3731 0.0896 -0.0679 -0.0016 4 LEU H CB 51 C CG . LEU A 4 ? 0.4019 0.5036 0.4041 0.1031 -0.0701 -0.0062 4 LEU H CG 52 C CD1 . LEU A 4 ? 0.4188 0.4806 0.3769 0.0904 -0.0743 -0.0136 4 LEU H CD1 53 C CD2 . LEU A 4 ? 0.3978 0.4939 0.3964 0.1219 -0.0499 -0.0121 4 LEU H CD2 65 N N . VAL A 5 ? 0.3677 0.5948 0.4782 0.0851 -0.0392 0.0153 5 VAL H N 66 C CA . VAL A 5 ? 0.3189 0.5712 0.4495 0.0686 -0.0349 0.0225 5 VAL H CA 67 C C . VAL A 5 ? 0.3449 0.5783 0.4421 0.0657 -0.0159 0.0131 5 VAL H C 68 O O . VAL A 5 ? 0.3868 0.6242 0.4790 0.0806 0.0062 0.0106 5 VAL H O 69 C CB . VAL A 5 ? 0.2842 0.5911 0.4735 0.0761 -0.0248 0.0392 5 VAL H CB 70 C CG1 . VAL A 5 ? 0.2480 0.5787 0.4572 0.0560 -0.0203 0.0486 5 VAL H CG1 71 C CG2 . VAL A 5 ? 0.2541 0.5851 0.4836 0.0783 -0.0475 0.0514 5 VAL H CG2 81 N N . GLU A 6 ? 0.3323 0.5429 0.4044 0.0476 -0.0250 0.0085 6 GLU H N 82 C CA . GLU A 6 ? 0.3971 0.5901 0.4395 0.0436 -0.0115 0.0016 6 GLU H CA 83 C C . GLU A 6 ? 0.4406 0.6617 0.5051 0.0356 0.0002 0.0120 6 GLU H C 84 O O . GLU A 6 ? 0.4150 0.6668 0.5183 0.0274 -0.0058 0.0247 6 GLU H O 85 C CB . GLU A 6 ? 0.4229 0.5825 0.4339 0.0304 -0.0240 -0.0052 6 GLU H CB 86 C CG . GLU A 6 ? 0.4486 0.5807 0.4377 0.0356 -0.0346 -0.0126 6 GLU H CG 87 C CD . GLU A 6 ? 0.4400 0.5712 0.4381 0.0291 -0.0547 -0.0079 6 GLU H CD 88 O OE1 . GLU A 6 ? 0.4223 0.5816 0.4537 0.0242 -0.0620 0.0019 6 GLU H OE1 89 O OE2 . GLU A 6 ? 0.4275 0.5295 0.3986 0.0279 -0.0639 -0.0129 6 GLU H OE2 96 N N . SER A 7 ? 0.4918 0.7020 0.5314 0.0368 0.0157 0.0080 7 SER H N 97 C CA . SER A 7 ? 0.4755 0.7057 0.5272 0.0283 0.0280 0.0184 7 SER H CA 98 C C . SER A 7 ? 0.4626 0.6670 0.4729 0.0279 0.0375 0.0116 7 SER H C 99 O O . SER A 7 ? 0.4652 0.6409 0.4432 0.0343 0.0346 -0.0004 7 SER H O 100 C CB . SER A 7 ? 0.4754 0.7446 0.5611 0.0409 0.0476 0.0293 7 SER H CB 101 O OG . SER A 7 ? 0.5060 0.7621 0.5649 0.0624 0.0661 0.0202 7 SER H OG 107 N N . GLY A 8 ? 0.4613 0.6759 0.4737 0.0189 0.0473 0.0212 8 GLY H N 108 C CA . GLY A 8 ? 0.4811 0.6723 0.4545 0.0176 0.0539 0.0176 8 GLY H CA 109 C C . GLY A 8 ? 0.5184 0.6892 0.4805 0.0020 0.0385 0.0181 8 GLY H C 110 O O . GLY A 8 ? 0.5858 0.7389 0.5201 -0.0004 0.0404 0.0177 8 GLY H O 114 N N . GLY A 9 ? 0.4931 0.6635 0.4741 -0.0076 0.0226 0.0193 9 GLY H N 115 C CA . GLY A 9 ? 0.4846 0.6310 0.4526 -0.0193 0.0099 0.0192 9 GLY H CA 116 C C . GLY A 9 ? 0.4657 0.6145 0.4361 -0.0317 0.0143 0.0316 9 GLY H C 117 O O . GLY A 9 ? 0.4762 0.6514 0.4703 -0.0368 0.0236 0.0431 9 GLY H O 121 N N . GLY A 10 ? 0.4418 0.5641 0.3898 -0.0360 0.0087 0.0312 10 GLY H N 122 C CA . GLY A 10 ? 0.4576 0.5746 0.4025 -0.0475 0.0114 0.0434 10 GLY H CA 123 C C . GLY A 10 ? 0.5221 0.6084 0.4398 -0.0459 0.0056 0.0420 10 GLY H C 124 O O . GLY A 10 ? 0.6006 0.6717 0.5078 -0.0378 -0.0013 0.0323 10 GLY H O 128 N N . VAL A 11 ? 0.5091 0.5881 0.4178 -0.0532 0.0094 0.0536 11 VAL H N 129 C CA . VAL A 11 ? 0.5009 0.5519 0.3874 -0.0508 0.0033 0.0555 11 VAL H CA 130 C C . VAL A 11 ? 0.4630 0.5154 0.3278 -0.0413 0.0079 0.0554 11 VAL H C 131 O O . VAL A 11 ? 0.4556 0.5204 0.3116 -0.0420 0.0190 0.0608 11 VAL H O 132 C CB . VAL A 11 ? 0.5653 0.6002 0.4495 -0.0641 0.0017 0.0697 11 VAL H CB 133 C CG1 . VAL A 11 ? 0.5763 0.5820 0.4382 -0.0581 -0.0043 0.0732 11 VAL H CG1 134 C CG2 . VAL A 11 ? 0.5860 0.6110 0.4861 -0.0765 -0.0079 0.0695 11 VAL H CG2 144 N N . VAL A 12 ? 0.4499 0.4886 0.3053 -0.0327 -0.0010 0.0503 12 VAL H N 145 C CA . VAL A 12 ? 0.4689 0.5050 0.3039 -0.0267 -0.0034 0.0519 12 VAL H CA 146 C C . VAL A 12 ? 0.4916 0.5099 0.3238 -0.0228 -0.0141 0.0583 12 VAL H C 147 O O . VAL A 12 ? 0.5492 0.5565 0.3937 -0.0205 -0.0172 0.0569 12 VAL H O 148 C CB . VAL A 12 ? 0.5059 0.5511 0.3393 -0.0192 -0.0054 0.0396 12 VAL H CB 149 C CG1 . VAL A 12 ? 0.5551 0.6148 0.3860 -0.0186 0.0068 0.0344 12 VAL H CG1 150 C CG2 . VAL A 12 ? 0.4500 0.4942 0.3025 -0.0149 -0.0110 0.0317 12 VAL H CG2 160 N N . GLN A 13 ? 0.4426 0.4561 0.2566 -0.0208 -0.0199 0.0658 13 GLN H N 161 C CA . GLN A 13 ? 0.4377 0.4389 0.2539 -0.0149 -0.0310 0.0746 13 GLN H CA 162 C C . GLN A 13 ? 0.4248 0.4368 0.2532 -0.0071 -0.0405 0.0695 13 GLN H C 163 O O . GLN A 13 ? 0.3592 0.3811 0.1799 -0.0089 -0.0427 0.0621 13 GLN H O 164 C CB . GLN A 13 ? 0.4452 0.4352 0.2363 -0.0179 -0.0355 0.0889 13 GLN H CB 165 C CG . GLN A 13 ? 0.5042 0.4862 0.2830 -0.0280 -0.0240 0.0966 13 GLN H CG 166 C CD . GLN A 13 ? 0.6446 0.6064 0.4022 -0.0300 -0.0293 0.1142 13 GLN H CD 167 O OE1 . GLN A 13 ? 0.6728 0.6316 0.4064 -0.0278 -0.0375 0.1203 13 GLN H OE1 168 N NE2 . GLN A 13 ? 0.7012 0.6449 0.4642 -0.0347 -0.0269 0.1228 13 GLN H NE2 177 N N . PRO A 14 ? 0.4302 0.4390 0.2780 0.0019 -0.0453 0.0744 14 PRO H N 178 C CA . PRO A 14 ? 0.3863 0.4109 0.2541 0.0082 -0.0531 0.0734 14 PRO H CA 179 C C . PRO A 14 ? 0.3724 0.4044 0.2283 0.0035 -0.0688 0.0790 14 PRO H C 180 O O . PRO A 14 ? 0.3890 0.4119 0.2283 0.0022 -0.0770 0.0905 14 PRO H O 181 C CB . PRO A 14 ? 0.3604 0.3794 0.2495 0.0210 -0.0527 0.0830 14 PRO H CB 182 C CG . PRO A 14 ? 0.4098 0.4046 0.2818 0.0205 -0.0505 0.0908 14 PRO H CG 183 C CD . PRO A 14 ? 0.4281 0.4171 0.2802 0.0074 -0.0428 0.0824 14 PRO H CD 191 N N . GLY A 15 ? 0.3489 0.3929 0.2094 0.0001 -0.0744 0.0713 15 GLY H N 192 C CA . GLY A 15 ? 0.3702 0.4145 0.2124 -0.0071 -0.0922 0.0739 15 GLY H CA 193 C C . GLY A 15 ? 0.3900 0.4212 0.1926 -0.0139 -0.0866 0.0616 15 GLY H C 194 O O . GLY A 15 ? 0.4093 0.4326 0.1871 -0.0199 -0.0997 0.0585 15 GLY H O 198 N N . GLY A 16 ? 0.4212 0.4491 0.2179 -0.0125 -0.0673 0.0551 16 GLY H N 199 C CA . GLY A 16 ? 0.4650 0.4846 0.2294 -0.0153 -0.0567 0.0462 16 GLY H CA 200 C C . GLY A 16 ? 0.4655 0.4895 0.2353 -0.0138 -0.0506 0.0312 16 GLY H C 201 O O . GLY A 16 ? 0.4803 0.5117 0.2740 -0.0132 -0.0576 0.0278 16 GLY H O 205 N N . SER A 17 ? 0.4832 0.5031 0.2320 -0.0122 -0.0360 0.0237 17 SER H N 206 C CA . SER A 17 ? 0.5095 0.5293 0.2579 -0.0084 -0.0300 0.0100 17 SER H CA 207 C C . SER A 17 ? 0.4832 0.5152 0.2430 -0.0038 -0.0094 0.0073 17 SER H C 208 O O . SER A 17 ? 0.4692 0.5071 0.2285 -0.0055 0.0012 0.0158 17 SER H O 209 C CB . SER A 17 ? 0.6295 0.6262 0.3329 -0.0083 -0.0359 0.0026 17 SER H CB 210 O OG . SER A 17 ? 0.7004 0.6874 0.3973 -0.0155 -0.0600 0.0060 17 SER H OG 216 N N . LEU A 18 ? 0.4815 0.5179 0.2535 0.0012 -0.0049 -0.0028 18 LEU H N 217 C CA . LEU A 18 ? 0.4579 0.5103 0.2476 0.0061 0.0115 -0.0042 18 LEU H CA 218 C C . LEU A 18 ? 0.4262 0.4766 0.2204 0.0137 0.0125 -0.0156 18 LEU H C 219 O O . LEU A 18 ? 0.4253 0.4681 0.2251 0.0119 0.0002 -0.0203 18 LEU H O 220 C CB . LEU A 18 ? 0.4664 0.5338 0.2901 0.0003 0.0109 0.0033 18 LEU H CB 221 C CG . LEU A 18 ? 0.5271 0.6137 0.3775 0.0017 0.0208 0.0038 18 LEU H CG 222 C CD1 . LEU A 18 ? 0.5786 0.6781 0.4244 0.0041 0.0384 0.0100 18 LEU H CD1 223 C CD2 . LEU A 18 ? 0.5237 0.6141 0.3980 -0.0067 0.0142 0.0097 18 LEU H CD2 235 N N . ARG A 19 ? 0.4391 0.4968 0.2325 0.0229 0.0282 -0.0183 19 ARG H N 236 C CA . ARG A 19 ? 0.4739 0.5280 0.2714 0.0327 0.0300 -0.0279 19 ARG H CA 237 C C . ARG A 19 ? 0.4600 0.5413 0.2976 0.0361 0.0368 -0.0239 19 ARG H C 238 O O . ARG A 19 ? 0.4650 0.5684 0.3186 0.0375 0.0501 -0.0155 19 ARG H O 239 C CB . ARG A 19 ? 0.5116 0.5460 0.2710 0.0451 0.0419 -0.0355 19 ARG H CB 240 C CG . ARG A 19 ? 0.5434 0.5702 0.3052 0.0584 0.0458 -0.0449 19 ARG H CG 241 C CD . ARG A 19 ? 0.6422 0.6364 0.3553 0.0719 0.0559 -0.0549 19 ARG H CD 242 N NE . ARG A 19 ? 0.7569 0.7126 0.4312 0.0620 0.0366 -0.0627 19 ARG H NE 243 C CZ . ARG A 19 ? 0.8787 0.7999 0.5303 0.0646 0.0303 -0.0729 19 ARG H CZ 244 N NH1 . ARG A 19 ? 0.8779 0.7916 0.5295 0.0820 0.0437 -0.0788 19 ARG H NH1 245 N NH2 . ARG A 19 ? 0.9821 0.8770 0.6127 0.0501 0.0096 -0.0760 19 ARG H NH2 259 N N . LEU A 20 ? 0.4536 0.5333 0.3074 0.0362 0.0263 -0.0281 20 LEU H N 260 C CA . LEU A 20 ? 0.4423 0.5431 0.3295 0.0396 0.0276 -0.0249 20 LEU H CA 261 C C . LEU A 20 ? 0.4213 0.5177 0.3055 0.0555 0.0340 -0.0314 20 LEU H C 262 O O . LEU A 20 ? 0.3731 0.4423 0.2267 0.0614 0.0331 -0.0406 20 LEU H O 263 C CB . LEU A 20 ? 0.4235 0.5198 0.3233 0.0313 0.0122 -0.0250 20 LEU H CB 264 C CG . LEU A 20 ? 0.3976 0.4927 0.3001 0.0186 0.0058 -0.0193 20 LEU H CG 265 C CD1 . LEU A 20 ? 0.4014 0.4860 0.3086 0.0151 -0.0054 -0.0211 20 LEU H CD1 266 C CD2 . LEU A 20 ? 0.3269 0.4419 0.2481 0.0123 0.0111 -0.0096 20 LEU H CD2 278 N N . SER A 21 ? 0.4173 0.5390 0.3338 0.0622 0.0386 -0.0258 21 SER H N 279 C CA . SER A 21 ? 0.4205 0.5401 0.3399 0.0804 0.0446 -0.0299 21 SER H CA 280 C C . SER A 21 ? 0.4210 0.5617 0.3785 0.0809 0.0341 -0.0236 21 SER H C 281 O O . SER A 21 ? 0.4459 0.6103 0.4316 0.0688 0.0273 -0.0143 21 SER H O 282 C CB . SER A 21 ? 0.4565 0.5886 0.3741 0.0962 0.0685 -0.0273 21 SER H CB 283 O OG . SER A 21 ? 0.5030 0.6754 0.4576 0.0906 0.0772 -0.0129 21 SER H OG 289 N N . CYS A 22 ? 0.3813 0.5088 0.3358 0.0942 0.0307 -0.0285 22 CYS H N 290 C CA . CYS A 22 ? 0.3594 0.5016 0.3441 0.0962 0.0177 -0.0224 22 CYS H CA 291 C C . CYS A 22 ? 0.4221 0.5731 0.4218 0.1202 0.0277 -0.0206 22 CYS H C 292 O O . CYS A 22 ? 0.4913 0.6101 0.4618 0.1337 0.0319 -0.0300 22 CYS H O 293 C CB . CYS A 22 ? 0.3336 0.4447 0.2964 0.0878 -0.0001 -0.0283 22 CYS H CB 294 S SG . CYS A 22 ? 0.8271 0.9453 0.8125 0.0884 -0.0198 -0.0212 22 CYS H SG 299 N N . LEU A 23 ? 0.4065 0.6007 0.4534 0.1256 0.0312 -0.0073 23 LEU H N 300 C CA . LEU A 23 ? 0.4032 0.6139 0.4742 0.1516 0.0429 -0.0023 23 LEU H CA 301 C C . LEU A 23 ? 0.4100 0.6198 0.4989 0.1558 0.0212 0.0020 23 LEU H C 302 O O . LEU A 23 ? 0.3767 0.6084 0.4939 0.1405 0.0012 0.0116 23 LEU H O 303 C CB . LEU A 23 ? 0.3832 0.6485 0.5044 0.1563 0.0596 0.0137 23 LEU H CB 304 C CG . LEU A 23 ? 0.4431 0.7269 0.5845 0.1886 0.0851 0.0189 23 LEU H CG 305 C CD1 . LEU A 23 ? 0.4049 0.7447 0.5943 0.1895 0.1062 0.0364 23 LEU H CD1 306 C CD2 . LEU A 23 ? 0.5277 0.8199 0.6990 0.2054 0.0718 0.0248 23 LEU H CD2 318 N N . ALA A 24 ? 0.4382 0.6177 0.5059 0.1762 0.0239 -0.0050 24 ALA H N 319 C CA . ALA A 24 ? 0.4057 0.5761 0.4819 0.1818 0.0033 -0.0009 24 ALA H CA 320 C C . ALA A 24 ? 0.4114 0.6130 0.5320 0.2094 0.0101 0.0112 24 ALA H C 321 O O . ALA A 24 ? 0.4217 0.6338 0.5497 0.2312 0.0363 0.0112 24 ALA H O 322 C CB . ALA A 24 ? 0.3811 0.4923 0.4036 0.1836 -0.0016 -0.0147 24 ALA H CB 328 N N . SER A 25 ? 0.3933 0.6084 0.5417 0.2095 -0.0134 0.0222 25 SER H N 329 C CA . SER A 25 ? 0.4151 0.6613 0.6109 0.2364 -0.0120 0.0365 25 SER H CA 330 C C . SER A 25 ? 0.4681 0.7051 0.6694 0.2335 -0.0447 0.0442 25 SER H C 331 O O . SER A 25 ? 0.5227 0.7408 0.6998 0.2079 -0.0674 0.0414 25 SER H O 332 C CB . SER A 25 ? 0.3955 0.7124 0.6600 0.2364 -0.0032 0.0546 25 SER H CB 333 O OG . SER A 25 ? 0.3730 0.7151 0.6612 0.2056 -0.0303 0.0639 25 SER H OG 339 N N . GLY A 26 ? 0.4629 0.7105 0.6930 0.2615 -0.0462 0.0547 26 GLY H N 340 C CA . GLY A 26 ? 0.4779 0.7173 0.7138 0.2614 -0.0784 0.0647 26 GLY H CA 341 C C . GLY A 26 ? 0.5584 0.7286 0.7329 0.2692 -0.0830 0.0527 26 GLY H C 342 O O . GLY A 26 ? 0.6084 0.7626 0.7775 0.2703 -0.1085 0.0607 26 GLY H O 346 N N . PHE A 27 ? 0.5969 0.7244 0.7238 0.2730 -0.0602 0.0349 27 PHE H N 347 C CA . PHE A 27 ? 0.6413 0.7015 0.7114 0.2780 -0.0637 0.0245 27 PHE H CA 348 C C . PHE A 27 ? 0.6684 0.6895 0.6993 0.2900 -0.0364 0.0076 27 PHE H C 349 O O . PHE A 27 ? 0.6782 0.7204 0.7162 0.2900 -0.0151 0.0019 27 PHE H O 350 C CB . PHE A 27 ? 0.6198 0.6500 0.6496 0.2461 -0.0834 0.0198 27 PHE H CB 351 C CG . PHE A 27 ? 0.5824 0.6105 0.5901 0.2216 -0.0722 0.0075 27 PHE H CG 352 C CD1 . PHE A 27 ? 0.5346 0.6066 0.5710 0.2038 -0.0748 0.0116 27 PHE H CD1 353 C CD2 . PHE A 27 ? 0.5624 0.5432 0.5215 0.2155 -0.0611 -0.0070 27 PHE H CD2 354 C CE1 . PHE A 27 ? 0.4735 0.5416 0.4895 0.1833 -0.0651 0.0015 27 PHE H CE1 355 C CE2 . PHE A 27 ? 0.5049 0.4864 0.4475 0.1940 -0.0530 -0.0162 27 PHE H CE2 356 C CZ . PHE A 27 ? 0.4574 0.4821 0.4279 0.1794 -0.0542 -0.0120 27 PHE H CZ 366 N N . THR A 28 ? 0.6824 0.6424 0.6682 0.2991 -0.0386 0.0002 28 THR H N 367 C CA . THR A 28 ? 0.7235 0.6335 0.6622 0.3077 -0.0186 -0.0168 28 THR H CA 368 C C . THR A 28 ? 0.7167 0.6088 0.6191 0.2746 -0.0190 -0.0291 28 THR H C 369 O O . THR A 28 ? 0.7373 0.5936 0.6077 0.2545 -0.0336 -0.0317 28 THR H O 370 C CB . THR A 28 ? 0.8028 0.6475 0.7033 0.3241 -0.0247 -0.0196 28 THR H CB 371 O OG1 . THR A 28 ? 0.8495 0.7124 0.7865 0.3550 -0.0225 -0.0072 28 THR H OG1 372 C CG2 . THR A 28 ? 0.8507 0.6351 0.6954 0.3286 -0.0084 -0.0383 28 THR H CG2 380 N N . PHE A 29 ? 0.6894 0.6084 0.5992 0.2700 -0.0020 -0.0348 29 PHE H N 381 C CA . PHE A 29 ? 0.6113 0.5245 0.4966 0.2402 -0.0027 -0.0437 29 PHE H CA 382 C C . PHE A 29 ? 0.6394 0.4879 0.4680 0.2292 -0.0070 -0.0563 29 PHE H C 383 O O . PHE A 29 ? 0.6059 0.4435 0.4208 0.2031 -0.0203 -0.0563 29 PHE H O 384 C CB . PHE A 29 ? 0.5440 0.4879 0.4401 0.2438 0.0188 -0.0473 29 PHE H CB 385 C CG . PHE A 29 ? 0.5081 0.4543 0.3869 0.2149 0.0170 -0.0534 29 PHE H CG 386 C CD1 . PHE A 29 ? 0.4609 0.4322 0.3581 0.1901 0.0015 -0.0467 29 PHE H CD1 387 C CD2 . PHE A 29 ? 0.5430 0.4640 0.3846 0.2139 0.0306 -0.0655 29 PHE H CD2 388 C CE1 . PHE A 29 ? 0.4591 0.4326 0.3429 0.1668 0.0010 -0.0511 29 PHE H CE1 389 C CE2 . PHE A 29 ? 0.5528 0.4779 0.3816 0.1886 0.0271 -0.0691 29 PHE H CE2 390 C CZ . PHE A 29 ? 0.5053 0.4583 0.3580 0.1660 0.0130 -0.0614 29 PHE H CZ 400 N N . HIS A 30 ? 0.6854 0.4898 0.4813 0.2494 0.0044 -0.0662 30 HIS H N 401 C CA . HIS A 30 ? 0.7478 0.4883 0.4878 0.2366 -0.0006 -0.0790 30 HIS H CA 402 C C . HIS A 30 ? 0.8223 0.5219 0.5447 0.2260 -0.0198 -0.0748 30 HIS H C 403 O O . HIS A 30 ? 0.8974 0.5424 0.5772 0.2138 -0.0264 -0.0829 30 HIS H O 404 C CB . HIS A 30 ? 0.8119 0.5077 0.5136 0.2625 0.0164 -0.0918 30 HIS H CB 405 C CG . HIS A 30 ? 0.8786 0.5596 0.5881 0.2902 0.0204 -0.0861 30 HIS H CG 406 N ND1 . HIS A 30 ? 0.9356 0.6630 0.6886 0.3165 0.0367 -0.0769 30 HIS H ND1 407 C CD2 . HIS A 30 ? 0.9170 0.5458 0.6006 0.2929 0.0097 -0.0859 30 HIS H CD2 408 C CE1 . HIS A 30 ? 0.9938 0.6983 0.7474 0.3354 0.0359 -0.0721 30 HIS H CE1 409 N NE2 . HIS A 30 ? 0.9863 0.6292 0.6958 0.3221 0.0197 -0.0779 30 HIS H NE2 417 N N . LYS A 31 ? 0.8077 0.5317 0.5608 0.2293 -0.0300 -0.0612 31 LYS H N 418 C CA . LYS A 31 ? 0.8444 0.5314 0.5793 0.2185 -0.0469 -0.0546 31 LYS H CA 419 C C . LYS A 31 ? 0.7879 0.4964 0.5300 0.1866 -0.0574 -0.0480 31 LYS H C 420 O O . LYS A 31 ? 0.8479 0.5265 0.5715 0.1728 -0.0682 -0.0420 31 LYS H O 421 C CB . LYS A 31 ? 0.9178 0.6091 0.6730 0.2426 -0.0536 -0.0426 31 LYS H CB 422 C CG . LYS A 31 ? 1.0566 0.7019 0.7918 0.2744 -0.0466 -0.0471 31 LYS H CG 423 C CD . LYS A 31 ? 1.1942 0.8430 0.9510 0.2963 -0.0573 -0.0320 31 LYS H CD 424 C CE . LYS A 31 ? 1.3951 1.0065 1.1373 0.3203 -0.0483 -0.0347 31 LYS H CE 425 N NZ . LYS A 31 ? 1.4961 1.1207 1.2669 0.3374 -0.0587 -0.0181 31 LYS H NZ 439 N N . TYR A 32 ? 0.6906 0.4485 0.4578 0.1760 -0.0524 -0.0482 32 TYR H N 440 C CA . TYR A 32 ? 0.6073 0.3870 0.3823 0.1508 -0.0597 -0.0418 32 TYR H CA 441 C C . TYR A 32 ? 0.6001 0.3892 0.3699 0.1302 -0.0538 -0.0487 32 TYR H C 442 O O . TYR A 32 ? 0.6665 0.4703 0.4406 0.1355 -0.0439 -0.0565 32 TYR H O 443 C CB . TYR A 32 ? 0.5433 0.3718 0.3536 0.1550 -0.0636 -0.0332 32 TYR H CB 444 C CG . TYR A 32 ? 0.6001 0.4245 0.4189 0.1711 -0.0754 -0.0227 32 TYR H CG 445 C CD1 . TYR A 32 ? 0.6688 0.4811 0.4751 0.1602 -0.0893 -0.0132 32 TYR H CD1 446 C CD2 . TYR A 32 ? 0.6181 0.4505 0.4566 0.1987 -0.0721 -0.0210 32 TYR H CD2 447 C CE1 . TYR A 32 ? 0.6972 0.5033 0.5076 0.1744 -0.1033 -0.0024 32 TYR H CE1 448 C CE2 . TYR A 32 ? 0.6567 0.4876 0.5068 0.2144 -0.0853 -0.0092 32 TYR H CE2 449 C CZ . TYR A 32 ? 0.6803 0.4972 0.5151 0.2012 -0.1028 0.0000 32 TYR H CZ 450 O OH . TYR A 32 ? 0.6615 0.4745 0.5042 0.2164 -0.1190 0.0128 32 TYR H OH 460 N N . GLY A 33 ? 0.5463 0.3277 0.3073 0.1079 -0.0590 -0.0442 33 GLY H N 461 C CA . GLY A 33 ? 0.5456 0.3452 0.3107 0.0888 -0.0553 -0.0468 33 GLY H CA 462 C C . GLY A 33 ? 0.5304 0.3768 0.3222 0.0885 -0.0517 -0.0442 33 GLY H C 463 O O . GLY A 33 ? 0.4684 0.3300 0.2734 0.0974 -0.0556 -0.0386 33 GLY H O 467 N N . MET A 34 ? 0.5389 0.4054 0.3375 0.0774 -0.0466 -0.0473 34 MET H N 468 C CA . MET A 34 ? 0.4723 0.3780 0.2936 0.0764 -0.0432 -0.0454 34 MET H CA 469 C C . MET A 34 ? 0.4454 0.3631 0.2694 0.0590 -0.0414 -0.0432 34 MET H C 470 O O . MET A 34 ? 0.4929 0.4001 0.3084 0.0492 -0.0409 -0.0451 34 MET H O 471 C CB . MET A 34 ? 0.4784 0.4019 0.3097 0.0885 -0.0350 -0.0511 34 MET H CB 472 C CG . MET A 34 ? 0.4914 0.4120 0.3288 0.1102 -0.0334 -0.0511 34 MET H CG 473 S SD . MET A 34 ? 0.6466 0.5959 0.5140 0.1160 -0.0431 -0.0399 34 MET H SD 474 C CE . MET A 34 ? 0.4489 0.4443 0.3447 0.1068 -0.0383 -0.0373 34 MET H CE 484 N N . HIS A 35 ? 0.4096 0.3477 0.2452 0.0557 -0.0419 -0.0387 35 HIS H N 485 C CA . HIS A 35 ? 0.4188 0.3665 0.2569 0.0433 -0.0384 -0.0357 35 HIS H CA 486 C C . HIS A 35 ? 0.4415 0.4151 0.2942 0.0422 -0.0353 -0.0372 35 HIS H C 487 O O . HIS A 35 ? 0.4561 0.4444 0.3203 0.0490 -0.0367 -0.0381 35 HIS H O 488 C CB . HIS A 35 ? 0.4147 0.3541 0.2440 0.0406 -0.0400 -0.0293 35 HIS H CB 489 C CG . HIS A 35 ? 0.5055 0.4189 0.3189 0.0393 -0.0410 -0.0245 35 HIS H CG 490 N ND1 . HIS A 35 ? 0.5174 0.4236 0.3277 0.0293 -0.0347 -0.0186 35 HIS H ND1 491 C CD2 . HIS A 35 ? 0.5691 0.4628 0.3706 0.0464 -0.0476 -0.0225 35 HIS H CD2 492 C CE1 . HIS A 35 ? 0.5495 0.4317 0.3454 0.0287 -0.0364 -0.0131 35 HIS H CE1 493 N NE2 . HIS A 35 ? 0.5817 0.4533 0.3694 0.0395 -0.0447 -0.0159 35 HIS H NE2 501 N N . TRP A 36 ? 0.4277 0.4079 0.2828 0.0335 -0.0313 -0.0357 36 TRP H N 502 C CA . TRP A 36 ? 0.3962 0.3944 0.2610 0.0307 -0.0291 -0.0347 36 TRP H CA 503 C C . TRP A 36 ? 0.4112 0.4029 0.2705 0.0263 -0.0268 -0.0301 36 TRP H C 504 O O . TRP A 36 ? 0.4329 0.4179 0.2896 0.0230 -0.0225 -0.0262 36 TRP H O 505 C CB . TRP A 36 ? 0.3273 0.3361 0.1966 0.0272 -0.0255 -0.0360 36 TRP H CB 506 C CG . TRP A 36 ? 0.3421 0.3575 0.2121 0.0337 -0.0232 -0.0405 36 TRP H CG 507 C CD1 . TRP A 36 ? 0.3526 0.3549 0.2092 0.0373 -0.0225 -0.0457 36 TRP H CD1 508 C CD2 . TRP A 36 ? 0.3720 0.4069 0.2553 0.0377 -0.0199 -0.0394 36 TRP H CD2 509 N NE1 . TRP A 36 ? 0.3666 0.3779 0.2242 0.0465 -0.0157 -0.0486 36 TRP H NE1 510 C CE2 . TRP A 36 ? 0.4020 0.4376 0.2803 0.0464 -0.0133 -0.0434 36 TRP H CE2 511 C CE3 . TRP A 36 ? 0.3733 0.4234 0.2714 0.0340 -0.0219 -0.0347 36 TRP H CE3 512 C CZ2 . TRP A 36 ? 0.4183 0.4757 0.3116 0.0529 -0.0054 -0.0409 36 TRP H CZ2 513 C CZ3 . TRP A 36 ? 0.3456 0.4176 0.2612 0.0369 -0.0180 -0.0317 36 TRP H CZ3 514 C CH2 . TRP A 36 ? 0.3814 0.4602 0.2973 0.0469 -0.0081 -0.0338 36 TRP H CH2 525 N N . VAL A 37 ? 0.3946 0.3870 0.2517 0.0262 -0.0293 -0.0297 37 VAL H N 526 C CA . VAL A 37 ? 0.4279 0.4068 0.2715 0.0249 -0.0253 -0.0270 37 VAL H CA 527 C C . VAL A 37 ? 0.4140 0.3980 0.2610 0.0217 -0.0262 -0.0276 37 VAL H C 528 O O . VAL A 37 ? 0.4486 0.4416 0.3036 0.0192 -0.0341 -0.0289 37 VAL H O 529 C CB . VAL A 37 ? 0.4420 0.3995 0.2633 0.0274 -0.0307 -0.0267 37 VAL H CB 530 C CG1 . VAL A 37 ? 0.4861 0.4226 0.2842 0.0287 -0.0224 -0.0246 37 VAL H CG1 531 C CG2 . VAL A 37 ? 0.3621 0.3122 0.1795 0.0303 -0.0315 -0.0249 37 VAL H CG2 541 N N . ARG A 38 ? 0.3736 0.3526 0.2173 0.0221 -0.0178 -0.0249 38 ARG H N 542 C CA . ARG A 38 ? 0.4035 0.3800 0.2464 0.0196 -0.0187 -0.0249 38 ARG H CA 543 C C . ARG A 38 ? 0.4635 0.4094 0.2784 0.0223 -0.0173 -0.0261 38 ARG H C 544 O O . ARG A 38 ? 0.4784 0.4078 0.2752 0.0282 -0.0102 -0.0254 38 ARG H O 545 C CB . ARG A 38 ? 0.4040 0.3936 0.2616 0.0200 -0.0116 -0.0206 38 ARG H CB 546 C CG . ARG A 38 ? 0.4478 0.4371 0.3087 0.0254 -0.0012 -0.0152 38 ARG H CG 547 C CD . ARG A 38 ? 0.4842 0.4859 0.3613 0.0266 0.0026 -0.0087 38 ARG H CD 548 N NE . ARG A 38 ? 0.7096 0.6941 0.5763 0.0339 0.0103 -0.0064 38 ARG H NE 549 C CZ . ARG A 38 ? 0.9342 0.9249 0.8137 0.0391 0.0153 0.0010 38 ARG H CZ 550 N NH1 . ARG A 38 ? 1.0262 1.0417 0.9296 0.0355 0.0109 0.0075 38 ARG H NH1 551 N NH2 . ARG A 38 ? 1.0117 0.9801 0.8771 0.0485 0.0236 0.0022 38 ARG H NH2 565 N N . GLN A 39 ? 0.4248 0.3597 0.2327 0.0176 -0.0236 -0.0276 39 GLN H N 566 C CA . GLN A 39 ? 0.4219 0.3184 0.1953 0.0201 -0.0234 -0.0304 39 GLN H CA 567 C C . GLN A 39 ? 0.4859 0.3733 0.2595 0.0177 -0.0229 -0.0293 39 GLN H C 568 O O . GLN A 39 ? 0.4863 0.3778 0.2682 0.0063 -0.0355 -0.0290 39 GLN H O 569 C CB . GLN A 39 ? 0.4196 0.2966 0.1713 0.0131 -0.0409 -0.0346 39 GLN H CB 570 C CG . GLN A 39 ? 0.4660 0.2922 0.1686 0.0156 -0.0426 -0.0394 39 GLN H CG 571 C CD . GLN A 39 ? 0.5167 0.3210 0.1932 0.0078 -0.0636 -0.0427 39 GLN H CD 572 O OE1 . GLN A 39 ? 0.4739 0.3017 0.1762 -0.0035 -0.0818 -0.0404 39 GLN H OE1 573 N NE2 . GLN A 39 ? 0.5503 0.3170 0.1882 0.0141 -0.0590 -0.0449 39 GLN H NE2 582 N N . ALA A 40 ? 0.5279 0.4045 0.2955 0.0288 -0.0079 -0.0267 40 ALA H N 583 C CA . ALA A 40 ? 0.5822 0.4445 0.3470 0.0294 -0.0066 -0.0246 40 ALA H CA 584 C C . ALA A 40 ? 0.6797 0.4936 0.4039 0.0251 -0.0163 -0.0312 40 ALA H C 585 O O . ALA A 40 ? 0.7465 0.5311 0.4367 0.0283 -0.0175 -0.0370 40 ALA H O 586 C CB . ALA A 40 ? 0.5662 0.4291 0.3368 0.0456 0.0121 -0.0186 40 ALA H CB 592 N N . PRO A 41 ? 0.6690 0.4703 0.3927 0.0164 -0.0249 -0.0297 41 PRO H N 593 C CA . PRO A 41 ? 0.7134 0.4634 0.3975 0.0083 -0.0383 -0.0355 41 PRO H CA 594 C C . PRO A 41 ? 0.7458 0.4416 0.3767 0.0235 -0.0288 -0.0432 41 PRO H C 595 O O . PRO A 41 ? 0.7627 0.4422 0.3835 0.0419 -0.0094 -0.0417 41 PRO H O 596 C CB . PRO A 41 ? 0.7144 0.4568 0.4070 0.0043 -0.0389 -0.0299 41 PRO H CB 597 C CG . PRO A 41 ? 0.6561 0.4564 0.3981 0.0002 -0.0356 -0.0211 41 PRO H CG 598 C CD . PRO A 41 ? 0.6288 0.4603 0.3865 0.0123 -0.0234 -0.0216 41 PRO H CD 606 N N . GLY A 42 ? 0.7574 0.4257 0.3538 0.0172 -0.0419 -0.0504 42 GLY H N 607 C CA . GLY A 42 ? 0.7996 0.4109 0.3376 0.0305 -0.0335 -0.0576 42 GLY H CA 608 C C . GLY A 42 ? 0.7936 0.4221 0.3365 0.0507 -0.0074 -0.0541 42 GLY H C 609 O O . GLY A 42 ? 0.8358 0.4317 0.3485 0.0635 0.0054 -0.0540 42 GLY H O 613 N N . LYS A 43 ? 0.7341 0.4172 0.3211 0.0519 0.0000 -0.0483 43 LYS H N 614 C CA . LYS A 43 ? 0.7459 0.4473 0.3403 0.0676 0.0231 -0.0433 43 LYS H CA 615 C C . LYS A 43 ? 0.6967 0.4192 0.2994 0.0583 0.0128 -0.0428 43 LYS H C 616 O O . LYS A 43 ? 0.6736 0.3961 0.2764 0.0426 -0.0113 -0.0461 43 LYS H O 617 C CB . LYS A 43 ? 0.7697 0.5210 0.4198 0.0743 0.0378 -0.0327 43 LYS H CB 618 C CG . LYS A 43 ? 0.8677 0.6064 0.5218 0.0822 0.0439 -0.0301 43 LYS H CG 619 C CD . LYS A 43 ? 1.0123 0.6986 0.6195 0.1035 0.0639 -0.0330 43 LYS H CD 620 C CE . LYS A 43 ? 1.1006 0.7704 0.7112 0.1131 0.0690 -0.0300 43 LYS H CE 621 N NZ . LYS A 43 ? 1.2166 0.8288 0.7771 0.1375 0.0905 -0.0337 43 LYS H NZ 635 N N . GLY A 44 ? 0.6761 0.4184 0.2904 0.0680 0.0309 -0.0365 44 GLY H N 636 C CA . GLY A 44 ? 0.6656 0.4207 0.2841 0.0613 0.0230 -0.0349 44 GLY H CA 637 C C . GLY A 44 ? 0.6060 0.4083 0.2678 0.0529 0.0152 -0.0316 44 GLY H C 638 O O . GLY A 44 ? 0.5446 0.3784 0.2459 0.0502 0.0158 -0.0285 44 GLY H O 642 N N . LEU A 45 ? 0.5947 0.4019 0.2537 0.0485 0.0068 -0.0309 45 LEU H N 643 C CA . LEU A 45 ? 0.5717 0.4200 0.2738 0.0419 0.0001 -0.0274 45 LEU H CA 644 C C . LEU A 45 ? 0.5332 0.4063 0.2635 0.0469 0.0190 -0.0191 45 LEU H C 645 O O . LEU A 45 ? 0.5470 0.4080 0.2625 0.0553 0.0372 -0.0135 45 LEU H O 646 C CB . LEU A 45 ? 0.5862 0.4265 0.2738 0.0386 -0.0133 -0.0279 45 LEU H CB 647 C CG . LEU A 45 ? 0.5809 0.4051 0.2521 0.0310 -0.0373 -0.0330 45 LEU H CG 648 C CD1 . LEU A 45 ? 0.5806 0.4000 0.2448 0.0300 -0.0488 -0.0302 45 LEU H CD1 649 C CD2 . LEU A 45 ? 0.5109 0.3655 0.2192 0.0225 -0.0503 -0.0344 45 LEU H CD2 661 N N . GLU A 46 ? 0.5081 0.4156 0.2784 0.0412 0.0145 -0.0173 46 GLU H N 662 C CA . GLU A 46 ? 0.5173 0.4496 0.3175 0.0419 0.0260 -0.0087 46 GLU H CA 663 C C . GLU A 46 ? 0.4197 0.3731 0.2430 0.0334 0.0142 -0.0095 46 GLU H C 664 O O . GLU A 46 ? 0.3655 0.3312 0.2006 0.0292 0.0035 -0.0145 46 GLU H O 665 C CB . GLU A 46 ? 0.6541 0.5999 0.4741 0.0454 0.0331 -0.0050 46 GLU H CB 666 C CG . GLU A 46 ? 0.8329 0.8067 0.6877 0.0455 0.0422 0.0066 46 GLU H CG 667 C CD . GLU A 46 ? 0.9901 0.9784 0.8662 0.0499 0.0457 0.0117 46 GLU H CD 668 O OE1 . GLU A 46 ? 1.0497 1.0252 0.9128 0.0515 0.0405 0.0053 46 GLU H OE1 669 O OE2 . GLU A 46 ? 1.0342 1.0470 0.9420 0.0511 0.0522 0.0236 46 GLU H OE2 676 N N . TRP A 47 ? 0.4615 0.4156 0.2880 0.0314 0.0175 -0.0041 47 TRP H N 677 C CA . TRP A 47 ? 0.4157 0.3795 0.2561 0.0246 0.0068 -0.0057 47 TRP H CA 678 C C . TRP A 47 ? 0.3790 0.3656 0.2466 0.0191 0.0039 -0.0039 47 TRP H C 679 O O . TRP A 47 ? 0.3669 0.3665 0.2519 0.0185 0.0118 0.0046 47 TRP H O 680 C CB . TRP A 47 ? 0.4485 0.4021 0.2837 0.0220 0.0108 0.0013 47 TRP H CB 681 C CG . TRP A 47 ? 0.4444 0.3989 0.2884 0.0154 -0.0004 -0.0007 47 TRP H CG 682 C CD1 . TRP A 47 ? 0.4092 0.3518 0.2413 0.0181 -0.0115 -0.0081 47 TRP H CD1 683 C CD2 . TRP A 47 ? 0.4309 0.3954 0.2955 0.0057 -0.0027 0.0049 47 TRP H CD2 684 N NE1 . TRP A 47 ? 0.4093 0.3488 0.2481 0.0127 -0.0181 -0.0090 47 TRP H NE1 685 C CE2 . TRP A 47 ? 0.4483 0.3990 0.3047 0.0032 -0.0147 -0.0015 47 TRP H CE2 686 C CE3 . TRP A 47 ? 0.4154 0.3989 0.3055 -0.0012 0.0030 0.0158 47 TRP H CE3 687 C CZ2 . TRP A 47 ? 0.4545 0.4022 0.3196 -0.0076 -0.0227 0.0005 47 TRP H CZ2 688 C CZ3 . TRP A 47 ? 0.4124 0.3994 0.3178 -0.0139 -0.0073 0.0198 47 TRP H CZ3 689 C CH2 . TRP A 47 ? 0.4270 0.3927 0.3161 -0.0178 -0.0207 0.0111 47 TRP H CH2 700 N N . VAL A 48 ? 0.3526 0.3437 0.2230 0.0161 -0.0073 -0.0110 48 VAL H N 701 C CA . VAL A 48 ? 0.3346 0.3408 0.2203 0.0109 -0.0123 -0.0108 48 VAL H CA 702 C C . VAL A 48 ? 0.3888 0.3893 0.2745 0.0040 -0.0207 -0.0119 48 VAL H C 703 O O . VAL A 48 ? 0.3462 0.3539 0.2454 -0.0044 -0.0244 -0.0053 48 VAL H O 704 C CB . VAL A 48 ? 0.3298 0.3418 0.2124 0.0134 -0.0162 -0.0179 48 VAL H CB 705 C CG1 . VAL A 48 ? 0.3113 0.3317 0.1988 0.0084 -0.0222 -0.0187 48 VAL H CG1 706 C CG2 . VAL A 48 ? 0.3317 0.3457 0.2145 0.0168 -0.0106 -0.0157 48 VAL H CG2 716 N N . ALA A 49 ? 0.4260 0.4119 0.2968 0.0075 -0.0251 -0.0195 49 ALA H N 717 C CA . ALA A 49 ? 0.3876 0.3585 0.2504 0.0027 -0.0334 -0.0227 49 ALA H CA 718 C C . ALA A 49 ? 0.4114 0.3612 0.2584 0.0098 -0.0351 -0.0277 49 ALA H C 719 O O . ALA A 49 ? 0.3716 0.3238 0.2159 0.0192 -0.0325 -0.0301 49 ALA H O 720 C CB . ALA A 49 ? 0.3500 0.3234 0.2071 0.0021 -0.0387 -0.0294 49 ALA H CB 726 N N . LEU A 50 ? 0.4483 0.3759 0.2852 0.0047 -0.0416 -0.0283 50 LEU H N 727 C CA . LEU A 50 ? 0.4483 0.3503 0.2682 0.0127 -0.0443 -0.0324 50 LEU H CA 728 C C . LEU A 50 ? 0.4965 0.3722 0.2979 0.0115 -0.0521 -0.0404 50 LEU H C 729 O O . LEU A 50 ? 0.5068 0.3754 0.3068 -0.0027 -0.0596 -0.0386 50 LEU H O 730 C CB . LEU A 50 ? 0.4509 0.3391 0.2689 0.0073 -0.0434 -0.0226 50 LEU H CB 731 C CG . LEU A 50 ? 0.4849 0.3379 0.2832 0.0113 -0.0493 -0.0240 50 LEU H CG 732 C CD1 . LEU A 50 ? 0.4761 0.3266 0.2672 0.0299 -0.0492 -0.0296 50 LEU H CD1 733 C CD2 . LEU A 50 ? 0.4997 0.3398 0.2963 0.0013 -0.0475 -0.0110 50 LEU H CD2 745 N N . ILE A 51 ? 0.4922 0.3519 0.2788 0.0269 -0.0511 -0.0488 51 ILE H N 746 C CA . ILE A 51 ? 0.5273 0.3516 0.2867 0.0298 -0.0563 -0.0581 51 ILE H CA 747 C C . ILE A 51 ? 0.6104 0.4035 0.3548 0.0432 -0.0571 -0.0601 51 ILE H C 748 O O . ILE A 51 ? 0.6401 0.4473 0.3957 0.0585 -0.0517 -0.0584 51 ILE H O 749 C CB . ILE A 51 ? 0.5356 0.3680 0.2858 0.0404 -0.0501 -0.0678 51 ILE H CB 750 C CG1 . ILE A 51 ? 0.5901 0.3769 0.3012 0.0426 -0.0554 -0.0786 51 ILE H CG1 751 C CG2 . ILE A 51 ? 0.4926 0.3472 0.2569 0.0607 -0.0387 -0.0687 51 ILE H CG2 752 C CD1 . ILE A 51 ? 0.6359 0.4248 0.3288 0.0515 -0.0478 -0.0875 51 ILE H CD1 764 N N . SER A 52 ? 0.6492 0.3980 0.3684 0.0367 -0.0661 -0.0628 52 SER H N 765 C CA . SER A 52 ? 0.6653 0.3763 0.3666 0.0487 -0.0683 -0.0636 52 SER H CA 766 C C . SER A 52 ? 0.6993 0.4011 0.3883 0.0765 -0.0597 -0.0741 52 SER H C 767 O O . SER A 52 ? 0.6390 0.3529 0.3238 0.0835 -0.0524 -0.0823 52 SER H O 768 C CB . SER A 52 ? 0.6616 0.3215 0.3358 0.0325 -0.0814 -0.0640 52 SER H CB 769 O OG . SER A 52 ? 0.7159 0.3529 0.3642 0.0278 -0.0870 -0.0756 52 SER H OG 775 N N . ASP A 53 A 0.7749 0.4555 0.4587 0.0932 -0.0597 -0.0721 52 ASP H N 776 C CA . ASP A 53 A 0.8014 0.4786 0.4822 0.1235 -0.0498 -0.0784 52 ASP H CA 777 C C . ASP A 53 A 0.8024 0.4512 0.4507 0.1328 -0.0427 -0.0931 52 ASP H C 778 O O . ASP A 53 A 0.7955 0.4694 0.4526 0.1513 -0.0280 -0.0972 52 ASP H O 779 C CB . ASP A 53 A 0.8435 0.4854 0.5143 0.1388 -0.0546 -0.0741 52 ASP H CB 780 C CG . ASP A 53 A 0.9262 0.5059 0.5602 0.1240 -0.0665 -0.0756 52 ASP H CG 781 O OD1 . ASP A 53 A 0.9329 0.4883 0.5430 0.1082 -0.0708 -0.0838 52 ASP H OD1 782 O OD2 . ASP A 53 A 0.9905 0.5439 0.6187 0.1269 -0.0735 -0.0673 52 ASP H OD2 787 N N . ASP A 54 ? 0.8215 0.4163 0.4301 0.1189 -0.0533 -0.1000 53 ASP H N 788 C CA . ASP A 54 ? 0.9468 0.5045 0.5152 0.1263 -0.0490 -0.1134 53 ASP H CA 789 C C . ASP A 54 ? 0.9745 0.5554 0.5424 0.1067 -0.0508 -0.1155 53 ASP H C 790 O O . ASP A 54 ? 1.0195 0.5835 0.5628 0.1081 -0.0471 -0.1212 53 ASP H O 791 C CB . ASP A 54 ? 1.0562 0.5509 0.5890 0.1175 -0.0619 -0.1147 53 ASP H CB 792 C CG . ASP A 54 ? 1.1416 0.6204 0.6718 0.0820 -0.0833 -0.1089 53 ASP H CG 793 O OD1 . ASP A 54 ? 1.0928 0.6076 0.6431 0.0631 -0.0876 -0.1057 53 ASP H OD1 794 O OD2 . ASP A 54 ? 1.2625 0.6945 0.7726 0.0725 -0.0954 -0.1059 53 ASP H OD2 799 N N . GLY A 55 ? 0.9261 0.5480 0.5236 0.0882 -0.0565 -0.1081 54 GLY H N 800 C CA . GLY A 55 ? 0.8821 0.5290 0.4822 0.0723 -0.0587 -0.1088 54 GLY H CA 801 C C . GLY A 55 ? 0.9356 0.5525 0.5153 0.0455 -0.0777 -0.1083 54 GLY H C 802 O O . GLY A 55 ? 0.9806 0.6100 0.5569 0.0356 -0.0803 -0.1086 54 GLY H O 806 N N . MET A 56 ? 0.9593 0.5376 0.5276 0.0327 -0.0924 -0.1056 55 MET H N 807 C CA . MET A 56 ? 0.9906 0.5410 0.5442 0.0052 -0.1132 -0.1026 55 MET H CA 808 C C . MET A 56 ? 0.9292 0.5064 0.5138 -0.0238 -0.1280 -0.0905 55 MET H C 809 O O . MET A 56 ? 0.9191 0.4928 0.5058 -0.0486 -0.1456 -0.0847 55 MET H O 810 C CB . MET A 56 ? 1.0828 0.5728 0.6053 0.0051 -0.1218 -0.1045 55 MET H CB 811 C CG . MET A 56 ? 1.1657 0.6224 0.6515 0.0308 -0.1098 -0.1157 55 MET H CG 812 S SD . MET A 56 ? 1.5395 1.0004 1.0029 0.0297 -0.1077 -0.1225 55 MET H SD 813 C CE . MET A 56 ? 1.9738 1.4113 1.4288 -0.0101 -0.1400 -0.1153 55 MET H CE 823 N N . ARG A 57 ? 0.8719 0.4940 0.4992 -0.0186 -0.1156 -0.0792 56 ARG H N 824 C CA . ARG A 57 ? 0.8509 0.5149 0.5229 -0.0401 -0.1193 -0.0614 56 ARG H CA 825 C C . ARG A 57 ? 0.7282 0.4529 0.4356 -0.0303 -0.1036 -0.0567 56 ARG H C 826 O O . ARG A 57 ? 0.6540 0.3941 0.3680 -0.0100 -0.0889 -0.0589 56 ARG H O 827 C CB . ARG A 57 ? 0.9713 0.6237 0.6549 -0.0459 -0.1189 -0.0496 56 ARG H CB 828 C CG . ARG A 57 ? 1.1597 0.7544 0.8161 -0.0643 -0.1378 -0.0490 56 ARG H CG 829 C CD . ARG A 57 ? 1.2982 0.8711 0.9550 -0.0628 -0.1342 -0.0396 56 ARG H CD 830 N NE . ARG A 57 ? 1.4047 0.9604 1.0409 -0.0314 -0.1221 -0.0499 56 ARG H NE 831 C CZ . ARG A 57 ? 1.5053 1.0081 1.0988 -0.0153 -0.1254 -0.0652 56 ARG H CZ 832 N NH1 . ARG A 57 ? 1.5752 1.0291 1.1327 -0.0286 -0.1415 -0.0744 56 ARG H NH1 833 N NH2 . ARG A 57 ? 1.5112 1.0084 1.0968 0.0150 -0.1129 -0.0709 56 ARG H NH2 847 N N . LYS A 58 ? 0.7095 0.4666 0.4398 -0.0452 -0.1087 -0.0493 57 LYS H N 848 C CA . LYS A 58 ? 0.6513 0.4592 0.4113 -0.0373 -0.0954 -0.0449 57 LYS H CA 849 C C . LYS A 58 ? 0.5995 0.4426 0.4008 -0.0518 -0.0943 -0.0271 57 LYS H C 850 O O . LYS A 58 ? 0.6041 0.4421 0.4166 -0.0721 -0.1071 -0.0171 57 LYS H O 851 C CB . LYS A 58 ? 0.6585 0.4733 0.4057 -0.0361 -0.0990 -0.0522 57 LYS H CB 852 C CG . LYS A 58 ? 0.7394 0.5177 0.4416 -0.0206 -0.0966 -0.0690 57 LYS H CG 853 C CD . LYS A 58 ? 0.7562 0.5403 0.4412 -0.0199 -0.0981 -0.0743 57 LYS H CD 854 C CE . LYS A 58 ? 0.8049 0.5551 0.4463 -0.0013 -0.0891 -0.0893 57 LYS H CE 855 N NZ . LYS A 58 ? 0.8266 0.5888 0.4586 0.0003 -0.0847 -0.0903 57 LYS H NZ 869 N N . TYR A 59 ? 0.5256 0.4033 0.3494 -0.0412 -0.0788 -0.0224 58 TYR H N 870 C CA . TYR A 59 ? 0.5051 0.4160 0.3646 -0.0493 -0.0724 -0.0063 58 TYR H CA 871 C C . TYR A 59 ? 0.5037 0.4472 0.3773 -0.0387 -0.0619 -0.0067 58 TYR H C 872 O O . TYR A 59 ? 0.5205 0.4641 0.3819 -0.0239 -0.0540 -0.0157 58 TYR H O 873 C CB . TYR A 59 ? 0.4996 0.4051 0.3629 -0.0468 -0.0617 0.0019 58 TYR H CB 874 C CG . TYR A 59 ? 0.5019 0.3702 0.3487 -0.0565 -0.0711 0.0033 58 TYR H CG 875 C CD1 . TYR A 59 ? 0.5131 0.3819 0.3793 -0.0773 -0.0770 0.0188 58 TYR H CD1 876 C CD2 . TYR A 59 ? 0.5591 0.3918 0.3733 -0.0448 -0.0740 -0.0092 58 TYR H CD2 877 C CE1 . TYR A 59 ? 0.6075 0.4374 0.4569 -0.0884 -0.0869 0.0211 58 TYR H CE1 878 C CE2 . TYR A 59 ? 0.6642 0.4563 0.4597 -0.0525 -0.0831 -0.0079 58 TYR H CE2 879 C CZ . TYR A 59 ? 0.6921 0.4805 0.5032 -0.0755 -0.0902 0.0069 58 TYR H CZ 880 O OH . TYR A 59 ? 0.7838 0.5271 0.5745 -0.0854 -0.1004 0.0091 58 TYR H OH 890 N N . HIS A 60 ? 0.4682 0.4394 0.3698 -0.0466 -0.0629 0.0046 59 HIS H N 891 C CA . HIS A 60 ? 0.4010 0.3987 0.3154 -0.0368 -0.0534 0.0058 59 HIS H CA 892 C C . HIS A 60 ? 0.3397 0.3632 0.2864 -0.0371 -0.0414 0.0218 59 HIS H C 893 O O . HIS A 60 ? 0.3102 0.3442 0.2814 -0.0495 -0.0452 0.0355 59 HIS H O 894 C CB . HIS A 60 ? 0.4245 0.4287 0.3372 -0.0414 -0.0659 0.0034 59 HIS H CB 895 C CG . HIS A 60 ? 0.4593 0.4361 0.3355 -0.0392 -0.0741 -0.0118 59 HIS H CG 896 N ND1 . HIS A 60 ? 0.5312 0.4795 0.3867 -0.0503 -0.0901 -0.0160 59 HIS H ND1 897 C CD2 . HIS A 60 ? 0.4377 0.4094 0.2931 -0.0264 -0.0671 -0.0231 59 HIS H CD2 898 C CE1 . HIS A 60 ? 0.5450 0.4694 0.3646 -0.0416 -0.0903 -0.0305 59 HIS H CE1 899 N NE2 . HIS A 60 ? 0.4968 0.4388 0.3195 -0.0270 -0.0754 -0.0338 59 HIS H NE2 907 N N . SER A 61 ? 0.3268 0.3593 0.2733 -0.0234 -0.0265 0.0209 60 SER H N 908 C CA . SER A 61 ? 0.3186 0.3701 0.2885 -0.0185 -0.0106 0.0346 60 SER H CA 909 C C . SER A 61 ? 0.3285 0.4090 0.3342 -0.0243 -0.0160 0.0477 60 SER H C 910 O O . SER A 61 ? 0.3421 0.4257 0.3464 -0.0283 -0.0308 0.0435 60 SER H O 911 C CB . SER A 61 ? 0.3708 0.4169 0.3241 -0.0027 0.0030 0.0283 60 SER H CB 912 O OG . SER A 61 ? 0.4460 0.5020 0.4034 0.0011 -0.0012 0.0252 60 SER H OG 918 N N . ASP A 62 ? 0.2633 0.3658 0.3015 -0.0237 -0.0033 0.0652 61 ASP H N 919 C CA . ASP A 62 ? 0.2954 0.4319 0.3773 -0.0278 -0.0082 0.0819 61 ASP H CA 920 C C . ASP A 62 ? 0.3034 0.4485 0.3863 -0.0136 -0.0051 0.0796 61 ASP H C 921 O O . ASP A 62 ? 0.2614 0.4277 0.3699 -0.0179 -0.0183 0.0886 61 ASP H O 922 C CB . ASP A 62 ? 0.3409 0.5033 0.4620 -0.0265 0.0106 0.1034 61 ASP H CB 923 C CG . ASP A 62 ? 0.4894 0.6474 0.6182 -0.0451 0.0048 0.1111 61 ASP H CG 924 O OD1 . ASP A 62 ? 0.5427 0.6887 0.6647 -0.0633 -0.0209 0.1059 61 ASP H OD1 925 O OD2 . ASP A 62 ? 0.5892 0.7517 0.7269 -0.0415 0.0264 0.1227 61 ASP H OD2 930 N N . SER A 63 ? 0.3585 0.4845 0.4121 0.0021 0.0101 0.0685 62 SER H N 931 C CA . SER A 63 ? 0.4386 0.5663 0.4903 0.0156 0.0148 0.0672 62 SER H CA 932 C C . SER A 63 ? 0.4438 0.5614 0.4751 0.0101 -0.0037 0.0554 62 SER H C 933 O O . SER A 63 ? 0.4940 0.6156 0.5283 0.0169 -0.0050 0.0577 62 SER H O 934 C CB . SER A 63 ? 0.4906 0.5953 0.5142 0.0321 0.0358 0.0600 62 SER H CB 935 O OG . SER A 63 ? 0.5389 0.6158 0.5236 0.0288 0.0305 0.0431 62 SER H OG 941 N N . MET A 64 ? 0.3988 0.5013 0.4075 -0.0008 -0.0162 0.0438 63 MET H N 942 C CA . MET A 64 ? 0.3752 0.4674 0.3613 -0.0046 -0.0295 0.0332 63 MET H CA 943 C C . MET A 64 ? 0.4321 0.5234 0.4162 -0.0194 -0.0498 0.0330 63 MET H C 944 O O . MET A 64 ? 0.3808 0.4615 0.3420 -0.0222 -0.0600 0.0253 63 MET H O 945 C CB . MET A 64 ? 0.3062 0.3766 0.2605 -0.0001 -0.0241 0.0177 63 MET H CB 946 C CG . MET A 64 ? 0.3042 0.3677 0.2512 0.0116 -0.0103 0.0158 63 MET H CG 947 S SD . MET A 64 ? 0.5979 0.6453 0.5170 0.0127 -0.0122 0.0017 63 MET H SD 948 C CE . MET A 64 ? 0.4643 0.5198 0.3838 0.0093 -0.0203 0.0041 63 MET H CE 958 N N . TRP A 65 ? 0.4586 0.5578 0.4633 -0.0296 -0.0556 0.0420 64 TRP H N 959 C CA . TRP A 65 ? 0.4434 0.5346 0.4421 -0.0465 -0.0783 0.0418 64 TRP H CA 960 C C . TRP A 65 ? 0.4789 0.5785 0.4791 -0.0506 -0.0953 0.0468 64 TRP H C 961 O O . TRP A 65 ? 0.4832 0.6101 0.5174 -0.0472 -0.0950 0.0619 64 TRP H O 962 C CB . TRP A 65 ? 0.3995 0.5036 0.4306 -0.0597 -0.0833 0.0562 64 TRP H CB 963 C CG . TRP A 65 ? 0.3957 0.4891 0.4217 -0.0803 -0.1114 0.0578 64 TRP H CG 964 C CD1 . TRP A 65 ? 0.4055 0.4606 0.3905 -0.0889 -0.1239 0.0432 64 TRP H CD1 965 C CD2 . TRP A 65 ? 0.3765 0.4940 0.4371 -0.0949 -0.1325 0.0752 64 TRP H CD2 966 N NE1 . TRP A 65 ? 0.4134 0.4611 0.3986 -0.1092 -0.1523 0.0487 64 TRP H NE1 967 C CE2 . TRP A 65 ? 0.3905 0.4785 0.4240 -0.1147 -0.1599 0.0691 64 TRP H CE2 968 C CE3 . TRP A 65 ? 0.3693 0.5295 0.4815 -0.0922 -0.1317 0.0962 64 TRP H CE3 969 C CZ2 . TRP A 65 ? 0.4312 0.5306 0.4863 -0.1352 -0.1900 0.0833 64 TRP H CZ2 970 C CZ3 . TRP A 65 ? 0.4136 0.5919 0.5548 -0.1108 -0.1603 0.1121 64 TRP H CZ3 971 C CH2 . TRP A 65 ? 0.4407 0.5885 0.5528 -0.1337 -0.1908 0.1056 64 TRP H CH2 982 N N . GLY A 66 ? 0.4788 0.5528 0.4396 -0.0564 -0.1094 0.0346 65 GLY H N 983 C CA . GLY A 66 ? 0.4543 0.5285 0.4041 -0.0607 -0.1267 0.0381 65 GLY H CA 984 C C . GLY A 66 ? 0.4150 0.4804 0.3366 -0.0477 -0.1150 0.0292 65 GLY H C 985 O O . GLY A 66 ? 0.4219 0.4780 0.3195 -0.0503 -0.1269 0.0291 65 GLY H O 989 N N . ARG A 67 ? 0.3549 0.4220 0.2781 -0.0350 -0.0927 0.0231 66 ARG H N 990 C CA . ARG A 67 ? 0.3086 0.3695 0.2109 -0.0252 -0.0814 0.0166 66 ARG H CA 991 C C . ARG A 67 ? 0.3219 0.3659 0.1990 -0.0201 -0.0696 0.0015 66 ARG H C 992 O O . ARG A 67 ? 0.3200 0.3614 0.1831 -0.0138 -0.0599 -0.0030 66 ARG H O 993 C CB . ARG A 67 ? 0.3064 0.3837 0.2341 -0.0151 -0.0683 0.0250 66 ARG H CB 994 C CG . ARG A 67 ? 0.3322 0.4300 0.2921 -0.0155 -0.0767 0.0421 66 ARG H CG 995 C CD . ARG A 67 ? 0.3540 0.4582 0.3279 -0.0022 -0.0633 0.0489 66 ARG H CD 996 N NE . ARG A 67 ? 0.3617 0.4606 0.3381 0.0066 -0.0442 0.0431 66 ARG H NE 997 C CZ . ARG A 67 ? 0.3203 0.4295 0.3201 0.0107 -0.0350 0.0486 66 ARG H CZ 998 N NH1 . ARG A 67 ? 0.2755 0.4065 0.3069 0.0059 -0.0426 0.0618 66 ARG H NH1 999 N NH2 . ARG A 67 ? 0.3006 0.3977 0.2912 0.0189 -0.0186 0.0422 66 ARG H NH2 1013 N N . VAL A 68 ? 0.3579 0.3916 0.2324 -0.0231 -0.0709 -0.0044 67 VAL H N 1014 C CA . VAL A 68 ? 0.4142 0.4327 0.2685 -0.0162 -0.0611 -0.0170 67 VAL H CA 1015 C C . VAL A 68 ? 0.4349 0.4273 0.2641 -0.0212 -0.0707 -0.0253 67 VAL H C 1016 O O . VAL A 68 ? 0.4168 0.4036 0.2520 -0.0328 -0.0848 -0.0206 67 VAL H O 1017 C CB . VAL A 68 ? 0.4724 0.4981 0.3454 -0.0100 -0.0491 -0.0168 67 VAL H CB 1018 C CG1 . VAL A 68 ? 0.4445 0.4841 0.3292 -0.0035 -0.0390 -0.0130 67 VAL H CG1 1019 C CG2 . VAL A 68 ? 0.5223 0.5526 0.4164 -0.0164 -0.0529 -0.0085 67 VAL H CG2 1029 N N . THR A 69 ? 0.4675 0.4430 0.2695 -0.0123 -0.0629 -0.0368 68 THR H N 1030 C CA . THR A 69 ? 0.5395 0.4826 0.3124 -0.0123 -0.0683 -0.0468 68 THR H CA 1031 C C . THR A 69 ? 0.5287 0.4681 0.2977 0.0033 -0.0526 -0.0547 68 THR H C 1032 O O . THR A 69 ? 0.5216 0.4709 0.2864 0.0139 -0.0397 -0.0571 68 THR H O 1033 C CB . THR A 69 ? 0.6613 0.5772 0.3908 -0.0149 -0.0772 -0.0533 68 THR H CB 1034 O OG1 . THR A 69 ? 0.7168 0.6374 0.4517 -0.0305 -0.0965 -0.0442 68 THR H OG1 1035 C CG2 . THR A 69 ? 0.6780 0.5508 0.3702 -0.0131 -0.0823 -0.0655 68 THR H CG2 1043 N N . ILE A 70 ? 0.5054 0.4326 0.2789 0.0041 -0.0542 -0.0564 69 ILE H N 1044 C CA . ILE A 70 ? 0.4690 0.3923 0.2416 0.0194 -0.0427 -0.0620 69 ILE H CA 1045 C C . ILE A 70 ? 0.5491 0.4346 0.2834 0.0280 -0.0427 -0.0735 69 ILE H C 1046 O O . ILE A 70 ? 0.6495 0.5031 0.3581 0.0181 -0.0560 -0.0772 69 ILE H O 1047 C CB . ILE A 70 ? 0.4615 0.3869 0.2541 0.0176 -0.0443 -0.0569 69 ILE H CB 1048 C CG1 . ILE A 70 ? 0.4045 0.3330 0.2019 0.0338 -0.0349 -0.0598 69 ILE H CG1 1049 C CG2 . ILE A 70 ? 0.5098 0.4043 0.2885 0.0071 -0.0566 -0.0572 69 ILE H CG2 1050 C CD1 . ILE A 70 ? 0.3683 0.3014 0.1823 0.0325 -0.0363 -0.0533 69 ILE H CD1 1062 N N . SER A 71 ? 0.5413 0.4295 0.2720 0.0467 -0.0279 -0.0783 70 SER H N 1063 C CA . SER A 71 ? 0.6045 0.4547 0.2982 0.0611 -0.0230 -0.0894 70 SER H CA 1064 C C . SER A 71 ? 0.6140 0.4802 0.3252 0.0834 -0.0064 -0.0893 70 SER H C 1065 O O . SER A 71 ? 0.5610 0.4672 0.3111 0.0843 -0.0017 -0.0807 70 SER H O 1066 C CB . SER A 71 ? 0.6094 0.4427 0.2675 0.0611 -0.0198 -0.0950 70 SER H CB 1067 O OG . SER A 71 ? 0.6144 0.4793 0.2830 0.0713 -0.0023 -0.0916 70 SER H OG 1073 N N . ARG A 72 ? 0.6793 0.5125 0.3616 0.1017 0.0015 -0.0982 71 ARG H N 1074 C CA . ARG A 72 ? 0.6700 0.5197 0.3734 0.1256 0.0170 -0.0962 71 ARG H CA 1075 C C . ARG A 72 ? 0.7090 0.5253 0.3747 0.1489 0.0331 -0.1061 71 ARG H C 1076 O O . ARG A 72 ? 0.6653 0.4390 0.2945 0.1404 0.0260 -0.1121 71 ARG H O 1077 C CB . ARG A 72 ? 0.6643 0.5077 0.3858 0.1267 0.0064 -0.0924 71 ARG H CB 1078 C CG . ARG A 72 ? 0.7019 0.4860 0.3833 0.1248 -0.0049 -0.1009 71 ARG H CG 1079 C CD . ARG A 72 ? 0.7126 0.4924 0.4123 0.1214 -0.0162 -0.0939 71 ARG H CD 1080 N NE . ARG A 72 ? 0.7360 0.5368 0.4627 0.1441 -0.0075 -0.0886 71 ARG H NE 1081 C CZ . ARG A 72 ? 0.7130 0.5239 0.4627 0.1432 -0.0163 -0.0795 71 ARG H CZ 1082 N NH1 . ARG A 72 ? 0.6357 0.4373 0.3833 0.1219 -0.0298 -0.0747 71 ARG H NH1 1083 N NH2 . ARG A 72 ? 0.7619 0.5931 0.5372 0.1640 -0.0113 -0.0735 71 ARG H NH2 1097 N N . ASP A 73 ? 0.7443 0.5882 0.4335 0.1734 0.0536 -0.1020 72 ASP H N 1098 C CA . ASP A 73 ? 0.7879 0.6099 0.4590 0.1941 0.0711 -0.1050 72 ASP H CA 1099 C C . ASP A 73 ? 0.7869 0.6214 0.4880 0.2205 0.0795 -0.1005 72 ASP H C 1100 O O . ASP A 73 ? 0.7865 0.6724 0.5328 0.2355 0.0945 -0.0903 72 ASP H O 1101 C CB . ASP A 73 ? 0.8271 0.6761 0.5014 0.1983 0.0924 -0.1006 72 ASP H CB 1102 C CG . ASP A 73 ? 1.0042 0.8211 0.6470 0.2160 0.1094 -0.1052 72 ASP H CG 1103 O OD1 . ASP A 73 ? 1.1111 0.9151 0.7236 0.2096 0.1159 -0.1077 72 ASP H OD1 1104 O OD2 . ASP A 73 ? 1.0518 0.8546 0.6983 0.2372 0.1159 -0.1060 72 ASP H OD2 1109 N N . ASN A 74 ? 0.8076 0.5968 0.4874 0.2249 0.0681 -0.1058 73 ASN H N 1110 C CA . ASN A 74 ? 0.8158 0.6115 0.5229 0.2486 0.0707 -0.1003 73 ASN H CA 1111 C C . ASN A 74 ? 0.8803 0.6933 0.6043 0.2765 0.0959 -0.0949 73 ASN H C 1112 O O . ASN A 74 ? 0.9038 0.7445 0.6692 0.2969 0.1005 -0.0852 73 ASN H O 1113 C CB . ASN A 74 ? 0.8315 0.5671 0.5051 0.2448 0.0528 -0.1064 73 ASN H CB 1114 C CG . ASN A 74 ? 0.8185 0.5449 0.4883 0.2193 0.0290 -0.1074 73 ASN H CG 1115 O OD1 . ASN A 74 ? 0.7314 0.5096 0.4422 0.2027 0.0234 -0.0972 73 ASN H OD1 1116 N ND2 . ASN A 74 ? 0.8908 0.5625 0.5250 0.2055 0.0129 -0.1123 73 ASN H ND2 1123 N N . SER A 75 ? 0.9119 0.7098 0.6056 0.2770 0.1113 -0.0999 74 SER H N 1124 C CA . SER A 75 ? 0.9706 0.7830 0.6765 0.3031 0.1381 -0.0949 74 SER H CA 1125 C C . SER A 75 ? 0.9059 0.7949 0.6747 0.3086 0.1543 -0.0795 74 SER H C 1126 O O . SER A 75 ? 0.9510 0.8679 0.7492 0.3301 0.1762 -0.0705 74 SER H O 1127 C CB . SER A 75 ? 1.0656 0.8332 0.7132 0.3022 0.1489 -0.1050 74 SER H CB 1128 O OG . SER A 75 ? 1.0583 0.8405 0.6956 0.2810 0.1482 -0.1057 74 SER H OG 1134 N N . LYS A 76 ? 0.8175 0.7411 0.6082 0.2882 0.1434 -0.0755 75 LYS H N 1135 C CA . LYS A 76 ? 0.8201 0.8175 0.6745 0.2890 0.1540 -0.0591 75 LYS H CA 1136 C C . LYS A 76 ? 0.7363 0.7680 0.6271 0.2757 0.1324 -0.0533 75 LYS H C 1137 O O . LYS A 76 ? 0.7228 0.8047 0.6520 0.2602 0.1318 -0.0421 75 LYS H O 1138 C CB . LYS A 76 ? 0.9584 0.9703 0.8010 0.2784 0.1711 -0.0572 75 LYS H CB 1139 C CG . LYS A 76 ? 1.1148 1.0817 0.8972 0.2555 0.1590 -0.0707 75 LYS H CG 1140 C CD . LYS A 76 ? 1.2620 1.2376 1.0292 0.2499 0.1774 -0.0676 75 LYS H CD 1141 C CE . LYS A 76 ? 1.3683 1.3090 1.0858 0.2248 0.1616 -0.0773 75 LYS H CE 1142 N NZ . LYS A 76 ? 1.4456 1.3956 1.1487 0.2195 0.1781 -0.0726 75 LYS H NZ 1156 N N . ASN A 77 ? 0.7178 0.7182 0.5972 0.2729 0.1099 -0.0586 76 ASN H N 1157 C CA . ASN A 77 ? 0.7011 0.7275 0.6170 0.2501 0.0826 -0.0493 76 ASN H CA 1158 C C . ASN A 77 ? 0.6098 0.6621 0.5349 0.2184 0.0734 -0.0461 76 ASN H C 1159 O O . ASN A 77 ? 0.5109 0.6088 0.4830 0.2068 0.0638 -0.0332 76 ASN H O 1160 C CB . ASN A 77 ? 0.7743 0.8519 0.7552 0.2657 0.0816 -0.0319 76 ASN H CB 1161 C CG . ASN A 77 ? 0.8866 0.9379 0.8631 0.2972 0.0852 -0.0328 76 ASN H CG 1162 O OD1 . ASN A 77 ? 0.9084 0.9029 0.8412 0.2969 0.0732 -0.0436 76 ASN H OD1 1163 N ND2 . ASN A 77 ? 0.9514 1.0439 0.9757 0.3235 0.1015 -0.0196 76 ASN H ND2 1170 N N . THR A 78 ? 0.6199 0.6402 0.4990 0.2041 0.0742 -0.0574 77 THR H N 1171 C CA . THR A 78 ? 0.5362 0.5779 0.4220 0.1774 0.0673 -0.0539 77 THR H CA 1172 C C . THR A 78 ? 0.5129 0.5169 0.3617 0.1554 0.0490 -0.0630 77 THR H C 1173 O O . THR A 78 ? 0.5672 0.5247 0.3708 0.1577 0.0479 -0.0745 77 THR H O 1174 C CB . THR A 78 ? 0.5434 0.6002 0.4210 0.1808 0.0898 -0.0526 77 THR H CB 1175 O OG1 . THR A 78 ? 0.5375 0.6363 0.4569 0.2012 0.1100 -0.0410 77 THR H OG1 1176 C CG2 . THR A 78 ? 0.4933 0.5716 0.3807 0.1540 0.0814 -0.0470 77 THR H CG2 1184 N N . LEU A 79 ? 0.4663 0.4905 0.3356 0.1339 0.0346 -0.0568 78 LEU H N 1185 C CA . LEU A 79 ? 0.4692 0.4693 0.3149 0.1134 0.0201 -0.0614 78 LEU H CA 1186 C C . LEU A 79 ? 0.4653 0.4813 0.3096 0.0993 0.0234 -0.0590 78 LEU H C 1187 O O . LEU A 79 ? 0.4523 0.5036 0.3257 0.0968 0.0288 -0.0504 78 LEU H O 1188 C CB . LEU A 79 ? 0.4274 0.4332 0.2920 0.1029 0.0040 -0.0558 78 LEU H CB 1189 C CG . LEU A 79 ? 0.3980 0.3870 0.2476 0.0834 -0.0076 -0.0570 78 LEU H CG 1190 C CD1 . LEU A 79 ? 0.4576 0.4055 0.2772 0.0831 -0.0133 -0.0636 78 LEU H CD1 1191 C CD2 . LEU A 79 ? 0.3261 0.3288 0.1951 0.0745 -0.0173 -0.0497 78 LEU H CD2 1203 N N . TYR A 80 ? 0.4673 0.4565 0.2787 0.0891 0.0182 -0.0651 79 TYR H N 1204 C CA . TYR A 80 ? 0.4411 0.4408 0.2471 0.0770 0.0196 -0.0621 79 TYR H CA 1205 C C . TYR A 80 ? 0.4007 0.3968 0.2090 0.0582 0.0037 -0.0594 79 TYR H C 1206 O O . TYR A 80 ? 0.3631 0.3408 0.1666 0.0534 -0.0071 -0.0617 79 TYR H O 1207 C CB . TYR A 80 ? 0.4586 0.4313 0.2212 0.0826 0.0272 -0.0697 79 TYR H CB 1208 C CG . TYR A 80 ? 0.4890 0.4652 0.2456 0.1044 0.0492 -0.0714 79 TYR H CG 1209 C CD1 . TYR A 80 ? 0.4677 0.4815 0.2491 0.1084 0.0657 -0.0617 79 TYR H CD1 1210 C CD2 . TYR A 80 ? 0.5635 0.5045 0.2899 0.1217 0.0547 -0.0816 79 TYR H CD2 1211 C CE1 . TYR A 80 ? 0.5530 0.5757 0.3346 0.1299 0.0895 -0.0605 79 TYR H CE1 1212 C CE2 . TYR A 80 ? 0.6436 0.5881 0.3653 0.1458 0.0786 -0.0823 79 TYR H CE2 1213 C CZ . TYR A 80 ? 0.6764 0.6651 0.4282 0.1502 0.0971 -0.0710 79 TYR H CZ 1214 O OH . TYR A 80 ? 0.8010 0.7990 0.5569 0.1734 0.1230 -0.0683 79 TYR H OH 1224 N N . LEU A 81 ? 0.4138 0.4277 0.2305 0.0486 0.0040 -0.0531 80 LEU H N 1225 C CA . LEU A 81 ? 0.4239 0.4359 0.2433 0.0341 -0.0081 -0.0492 80 LEU H CA 1226 C C . LEU A 81 ? 0.4387 0.4536 0.2456 0.0281 -0.0074 -0.0455 80 LEU H C 1227 O O . LEU A 81 ? 0.4766 0.5106 0.2954 0.0278 0.0003 -0.0394 80 LEU H O 1228 C CB . LEU A 81 ? 0.3842 0.4140 0.2326 0.0297 -0.0107 -0.0428 80 LEU H CB 1229 C CG . LEU A 81 ? 0.3949 0.4228 0.2484 0.0193 -0.0190 -0.0378 80 LEU H CG 1230 C CD1 . LEU A 81 ? 0.3860 0.3961 0.2316 0.0158 -0.0269 -0.0400 80 LEU H CD1 1231 C CD2 . LEU A 81 ? 0.4012 0.4394 0.2732 0.0179 -0.0182 -0.0330 80 LEU H CD2 1243 N N . GLN A 82 ? 0.4527 0.4468 0.2346 0.0219 -0.0175 -0.0481 81 GLN H N 1244 C CA . GLN A 82 ? 0.4806 0.4721 0.2437 0.0164 -0.0203 -0.0441 81 GLN H CA 1245 C C . GLN A 82 ? 0.4443 0.4476 0.2280 0.0051 -0.0326 -0.0345 81 GLN H C 1246 O O . GLN A 82 ? 0.4576 0.4559 0.2492 -0.0019 -0.0452 -0.0332 81 GLN H O 1247 C CB . GLN A 82 ? 0.5174 0.4748 0.2351 0.0160 -0.0274 -0.0523 81 GLN H CB 1248 C CG . GLN A 82 ? 0.5108 0.4599 0.2004 0.0099 -0.0333 -0.0480 81 GLN H CG 1249 C CD . GLN A 82 ? 0.5384 0.4998 0.2207 0.0183 -0.0134 -0.0444 81 GLN H CD 1250 O OE1 . GLN A 82 ? 0.6066 0.5606 0.2713 0.0306 0.0039 -0.0504 81 GLN H OE1 1251 N NE2 . GLN A 82 ? 0.5360 0.5167 0.2350 0.0118 -0.0145 -0.0328 81 GLN H NE2 1260 N N . PHE A 83 ? 0.4256 0.4446 0.2196 0.0039 -0.0279 -0.0262 82 PHE H N 1261 C CA . PHE A 83 ? 0.4513 0.4799 0.2638 -0.0028 -0.0371 -0.0160 82 PHE H CA 1262 C C . PHE A 83 ? 0.4819 0.5014 0.2721 -0.0085 -0.0487 -0.0107 82 PHE H C 1263 O O . PHE A 83 ? 0.5953 0.6013 0.3517 -0.0071 -0.0454 -0.0139 82 PHE H O 1264 C CB . PHE A 83 ? 0.4614 0.5049 0.2941 -0.0008 -0.0276 -0.0097 82 PHE H CB 1265 C CG . PHE A 83 ? 0.4586 0.5086 0.3128 0.0024 -0.0222 -0.0127 82 PHE H CG 1266 C CD1 . PHE A 83 ? 0.4500 0.5001 0.3197 0.0021 -0.0266 -0.0111 82 PHE H CD1 1267 C CD2 . PHE A 83 ? 0.4599 0.5165 0.3188 0.0056 -0.0128 -0.0155 82 PHE H CD2 1268 C CE1 . PHE A 83 ? 0.4191 0.4693 0.2995 0.0052 -0.0220 -0.0139 82 PHE H CE1 1269 C CE2 . PHE A 83 ? 0.4394 0.4990 0.3139 0.0074 -0.0120 -0.0176 82 PHE H CE2 1270 C CZ . PHE A 83 ? 0.4090 0.4621 0.2897 0.0074 -0.0167 -0.0176 82 PHE H CZ 1280 N N . SER A 84 A 0.4626 0.4896 0.2714 -0.0141 -0.0619 -0.0012 82 SER H N 1281 C CA . SER A 84 A 0.5178 0.5398 0.3118 -0.0198 -0.0769 0.0075 82 SER H CA 1282 C C . SER A 84 A 0.4422 0.4833 0.2739 -0.0210 -0.0855 0.0214 82 SER H C 1283 O O . SER A 84 A 0.4357 0.4896 0.2992 -0.0195 -0.0827 0.0229 82 SER H O 1284 C CB . SER A 84 A 0.6137 0.6135 0.3756 -0.0276 -0.0938 0.0017 82 SER H CB 1285 O OG . SER A 84 A 0.6468 0.6495 0.4306 -0.0334 -0.1034 0.0004 82 SER H OG 1291 N N . SER A 85 B 0.3531 0.3952 0.1802 -0.0220 -0.0944 0.0327 82 SER H N 1292 C CA . SER A 85 B 0.3582 0.4187 0.2222 -0.0194 -0.1016 0.0480 82 SER H CA 1293 C C . SER A 85 B 0.3258 0.3961 0.2181 -0.0094 -0.0827 0.0482 82 SER H C 1294 O O . SER A 85 B 0.3560 0.4417 0.2830 -0.0046 -0.0818 0.0560 82 SER H O 1295 C CB . SER A 85 B 0.3768 0.4496 0.2648 -0.0271 -0.1202 0.0543 82 SER H CB 1296 O OG . SER A 85 B 0.4011 0.4572 0.2558 -0.0387 -0.1419 0.0529 82 SER H OG 1302 N N . LEU A 86 C 0.3203 0.3806 0.1964 -0.0063 -0.0674 0.0403 82 LEU H N 1303 C CA . LEU A 86 C 0.3803 0.4417 0.2731 0.0007 -0.0524 0.0375 82 LEU H CA 1304 C C . LEU A 86 C 0.4072 0.4707 0.3203 0.0092 -0.0509 0.0494 82 LEU H C 1305 O O . LEU A 86 C 0.4060 0.4674 0.3160 0.0101 -0.0586 0.0602 82 LEU H O 1306 C CB . LEU A 86 C 0.3937 0.4455 0.2680 -0.0007 -0.0412 0.0302 82 LEU H CB 1307 C CG . LEU A 86 C 0.4201 0.4727 0.2875 -0.0024 -0.0352 0.0174 82 LEU H CG 1308 C CD1 . LEU A 86 C 0.4360 0.4869 0.2930 -0.0040 -0.0250 0.0147 82 LEU H CD1 1309 C CD2 . LEU A 86 C 0.3615 0.4165 0.2471 0.0015 -0.0312 0.0129 82 LEU H CD2 1321 N N . LYS A 87 ? 0.3933 0.4575 0.3236 0.0170 -0.0404 0.0478 83 LYS H N 1322 C CA . LYS A 87 ? 0.4067 0.4668 0.3519 0.0293 -0.0342 0.0572 83 LYS H CA 1323 C C . LYS A 87 ? 0.3746 0.4096 0.3015 0.0323 -0.0233 0.0503 83 LYS H C 1324 O O . LYS A 87 ? 0.3992 0.4278 0.3137 0.0265 -0.0191 0.0388 83 LYS H O 1325 C CB . LYS A 87 ? 0.3905 0.4653 0.3641 0.0378 -0.0276 0.0617 83 LYS H CB 1326 C CG . LYS A 87 ? 0.4193 0.5206 0.4172 0.0313 -0.0410 0.0704 83 LYS H CG 1327 C CD . LYS A 87 ? 0.4939 0.6150 0.5282 0.0402 -0.0316 0.0800 83 LYS H CD 1328 C CE . LYS A 87 ? 0.6298 0.7798 0.6947 0.0300 -0.0487 0.0920 83 LYS H CE 1329 N NZ . LYS A 87 ? 0.7367 0.9135 0.8467 0.0386 -0.0380 0.1065 83 LYS H NZ 1343 N N . VAL A 88 ? 0.3396 0.3586 0.2649 0.0409 -0.0208 0.0582 84 VAL H N 1344 C CA . VAL A 88 ? 0.3584 0.3462 0.2641 0.0430 -0.0130 0.0524 84 VAL H CA 1345 C C . VAL A 88 ? 0.3577 0.3376 0.2597 0.0472 -0.0031 0.0417 84 VAL H C 1346 O O . VAL A 88 ? 0.3693 0.3285 0.2513 0.0412 -0.0020 0.0323 84 VAL H O 1347 C CB . VAL A 88 ? 0.4107 0.3765 0.3155 0.0567 -0.0100 0.0627 84 VAL H CB 1348 C CG1 . VAL A 88 ? 0.3942 0.3189 0.2736 0.0595 -0.0026 0.0548 84 VAL H CG1 1349 C CG2 . VAL A 88 ? 0.4278 0.3938 0.3288 0.0511 -0.0209 0.0741 84 VAL H CG2 1359 N N . GLU A 89 ? 0.4290 0.4266 0.3507 0.0563 0.0027 0.0447 85 GLU H N 1360 C CA . GLU A 89 ? 0.5334 0.5215 0.4488 0.0628 0.0146 0.0373 85 GLU H CA 1361 C C . GLU A 89 ? 0.5127 0.5058 0.4183 0.0496 0.0100 0.0258 85 GLU H C 1362 O O . GLU A 89 ? 0.5541 0.5308 0.4436 0.0517 0.0162 0.0179 85 GLU H O 1363 C CB . GLU A 89 ? 0.6280 0.6389 0.5727 0.0751 0.0241 0.0475 85 GLU H CB 1364 C CG . GLU A 89 ? 0.7579 0.7694 0.7204 0.0927 0.0307 0.0616 85 GLU H CG 1365 C CD . GLU A 89 ? 0.7907 0.8248 0.7745 0.0870 0.0142 0.0734 85 GLU H CD 1366 O OE1 . GLU A 89 ? 0.7859 0.8535 0.8067 0.0902 0.0107 0.0871 85 GLU H OE1 1367 O OE2 . GLU A 89 ? 0.7937 0.8121 0.7569 0.0783 0.0040 0.0705 85 GLU H OE2 1374 N N . ASP A 90 ? 0.4328 0.4458 0.3450 0.0375 -0.0008 0.0252 86 ASP H N 1375 C CA . ASP A 90 ? 0.4396 0.4588 0.3456 0.0281 -0.0044 0.0157 86 ASP H CA 1376 C C . ASP A 90 ? 0.4246 0.4281 0.3127 0.0214 -0.0065 0.0078 86 ASP H C 1377 O O . ASP A 90 ? 0.4790 0.4880 0.3644 0.0159 -0.0091 0.0009 86 ASP H O 1378 C CB . ASP A 90 ? 0.4467 0.4864 0.3601 0.0200 -0.0135 0.0172 86 ASP H CB 1379 C CG . ASP A 90 ? 0.4645 0.5214 0.3984 0.0218 -0.0167 0.0252 86 ASP H CG 1380 O OD1 . ASP A 90 ? 0.5185 0.5778 0.4645 0.0282 -0.0087 0.0279 86 ASP H OD1 1381 O OD2 . ASP A 90 ? 0.4073 0.4747 0.3444 0.0159 -0.0276 0.0298 86 ASP H OD2 1386 N N . THR A 91 ? 0.3809 0.3648 0.2588 0.0215 -0.0066 0.0102 87 THR H N 1387 C CA . THR A 91 ? 0.4114 0.3804 0.2763 0.0120 -0.0114 0.0054 87 THR H CA 1388 C C . THR A 91 ? 0.4216 0.3783 0.2749 0.0124 -0.0120 -0.0034 87 THR H C 1389 O O . THR A 91 ? 0.4181 0.3539 0.2575 0.0221 -0.0059 -0.0055 87 THR H O 1390 C CB . THR A 91 ? 0.4378 0.3771 0.2889 0.0120 -0.0123 0.0095 87 THR H CB 1391 O OG1 . THR A 91 ? 0.4961 0.4455 0.3553 0.0095 -0.0138 0.0191 87 THR H OG1 1392 C CG2 . THR A 91 ? 0.3499 0.2703 0.1881 -0.0010 -0.0206 0.0053 87 THR H CG2 1400 N N . ALA A 92 ? 0.4118 0.3810 0.2697 0.0034 -0.0186 -0.0073 88 ALA H N 1401 C CA . ALA A 92 ? 0.4170 0.3761 0.2641 0.0035 -0.0224 -0.0141 88 ALA H CA 1402 C C . ALA A 92 ? 0.4088 0.3863 0.2686 -0.0061 -0.0315 -0.0153 88 ALA H C 1403 O O . ALA A 92 ? 0.3840 0.3858 0.2622 -0.0109 -0.0307 -0.0112 88 ALA H O 1404 C CB . ALA A 92 ? 0.3946 0.3601 0.2428 0.0134 -0.0146 -0.0157 88 ALA H CB 1410 N N . MET A 93 ? 0.4264 0.3915 0.2752 -0.0076 -0.0396 -0.0198 89 MET H N 1411 C CA . MET A 93 ? 0.4885 0.4750 0.3542 -0.0125 -0.0483 -0.0196 89 MET H CA 1412 C C . MET A 93 ? 0.4758 0.4767 0.3470 -0.0027 -0.0417 -0.0223 89 MET H C 1413 O O . MET A 93 ? 0.5093 0.4935 0.3634 0.0042 -0.0375 -0.0252 89 MET H O 1414 C CB . MET A 93 ? 0.6015 0.5654 0.4506 -0.0188 -0.0640 -0.0220 89 MET H CB 1415 C CG . MET A 93 ? 0.7080 0.6757 0.5701 -0.0347 -0.0784 -0.0167 89 MET H CG 1416 S SD . MET A 93 ? 1.0269 1.0446 0.9354 -0.0391 -0.0843 -0.0090 89 MET H SD 1417 C CE . MET A 93 ? 0.7426 0.7451 0.6367 -0.0381 -0.1034 -0.0124 89 MET H CE 1427 N N . PHE A 94 ? 0.4197 0.4486 0.3127 -0.0018 -0.0394 -0.0206 90 PHE H N 1428 C CA . PHE A 94 ? 0.4188 0.4544 0.3130 0.0070 -0.0347 -0.0238 90 PHE H CA 1429 C C . PHE A 94 ? 0.4292 0.4741 0.3335 0.0099 -0.0422 -0.0241 90 PHE H C 1430 O O . PHE A 94 ? 0.4120 0.4787 0.3381 0.0077 -0.0448 -0.0200 90 PHE H O 1431 C CB . PHE A 94 ? 0.3770 0.4277 0.2786 0.0094 -0.0256 -0.0233 90 PHE H CB 1432 C CG . PHE A 94 ? 0.3530 0.3947 0.2455 0.0091 -0.0210 -0.0221 90 PHE H CG 1433 C CD1 . PHE A 94 ? 0.3542 0.3905 0.2416 0.0128 -0.0190 -0.0236 90 PHE H CD1 1434 C CD2 . PHE A 94 ? 0.3636 0.4027 0.2557 0.0047 -0.0199 -0.0177 90 PHE H CD2 1435 C CE1 . PHE A 94 ? 0.3632 0.3976 0.2507 0.0123 -0.0165 -0.0196 90 PHE H CE1 1436 C CE2 . PHE A 94 ? 0.3835 0.4171 0.2719 0.0065 -0.0167 -0.0145 90 PHE H CE2 1437 C CZ . PHE A 94 ? 0.3698 0.4041 0.2587 0.0104 -0.0152 -0.0150 90 PHE H CZ 1447 N N . PHE A 95 ? 0.4161 0.4456 0.3064 0.0153 -0.0451 -0.0269 91 PHE H N 1448 C CA . PHE A 95 ? 0.3758 0.4088 0.2720 0.0198 -0.0543 -0.0261 91 PHE H CA 1449 C C . PHE A 95 ? 0.3851 0.4224 0.2851 0.0302 -0.0479 -0.0283 91 PHE H C 1450 O O . PHE A 95 ? 0.3623 0.3876 0.2494 0.0317 -0.0405 -0.0313 91 PHE H O 1451 C CB . PHE A 95 ? 0.3902 0.3950 0.2601 0.0188 -0.0638 -0.0268 91 PHE H CB 1452 C CG . PHE A 95 ? 0.4220 0.4134 0.2805 0.0091 -0.0751 -0.0259 91 PHE H CG 1453 C CD1 . PHE A 95 ? 0.4477 0.4488 0.3201 0.0030 -0.0930 -0.0217 91 PHE H CD1 1454 C CD2 . PHE A 95 ? 0.4354 0.4022 0.2691 0.0064 -0.0690 -0.0285 91 PHE H CD2 1455 C CE1 . PHE A 95 ? 0.4717 0.4541 0.3293 -0.0090 -0.1074 -0.0211 91 PHE H CE1 1456 C CE2 . PHE A 95 ? 0.4837 0.4282 0.2989 -0.0021 -0.0802 -0.0292 91 PHE H CE2 1457 C CZ . PHE A 95 ? 0.4784 0.4283 0.3032 -0.0114 -0.1008 -0.0260 91 PHE H CZ 1467 N N . CYS A 96 ? 0.3961 0.4495 0.3148 0.0372 -0.0518 -0.0259 92 CYS H N 1468 C CA . CYS A 96 ? 0.4074 0.4574 0.3254 0.0497 -0.0471 -0.0284 92 CYS H CA 1469 C C . CYS A 96 ? 0.4256 0.4597 0.3347 0.0541 -0.0595 -0.0261 92 CYS H C 1470 O O . CYS A 96 ? 0.4628 0.5076 0.3853 0.0534 -0.0723 -0.0205 92 CYS H O 1471 C CB . CYS A 96 ? 0.3986 0.4767 0.3433 0.0590 -0.0398 -0.0259 92 CYS H CB 1472 S SG . CYS A 96 ? 0.9036 0.9717 0.8435 0.0791 -0.0316 -0.0301 92 CYS H SG 1477 N N . ALA A 97 ? 0.4081 0.4158 0.2942 0.0569 -0.0575 -0.0288 93 ALA H N 1478 C CA . ALA A 97 ? 0.4431 0.4303 0.3142 0.0607 -0.0682 -0.0254 93 ALA H CA 1479 C C . ALA A 97 ? 0.4962 0.4653 0.3588 0.0711 -0.0651 -0.0267 93 ALA H C 1480 O O . ALA A 97 ? 0.5413 0.5001 0.3955 0.0695 -0.0556 -0.0313 93 ALA H O 1481 C CB . ALA A 97 ? 0.4278 0.3918 0.2707 0.0512 -0.0691 -0.0246 93 ALA H CB 1487 N N . ARG A 98 ? 0.4812 0.4431 0.3443 0.0810 -0.0756 -0.0220 94 ARG H N 1488 C CA . ARG A 98 ? 0.4512 0.3894 0.3034 0.0923 -0.0743 -0.0225 94 ARG H CA 1489 C C . ARG A 98 ? 0.4791 0.3818 0.2993 0.0854 -0.0772 -0.0192 94 ARG H C 1490 O O . ARG A 98 ? 0.4957 0.3906 0.3017 0.0802 -0.0853 -0.0138 94 ARG H O 1491 C CB . ARG A 98 ? 0.4441 0.3924 0.3158 0.1095 -0.0836 -0.0168 94 ARG H CB 1492 C CG . ARG A 98 ? 0.4897 0.4076 0.3476 0.1243 -0.0820 -0.0175 94 ARG H CG 1493 C CD . ARG A 98 ? 0.5086 0.4389 0.3903 0.1452 -0.0904 -0.0101 94 ARG H CD 1494 N NE . ARG A 98 ? 0.5034 0.4218 0.3760 0.1445 -0.1100 0.0001 94 ARG H NE 1495 C CZ . ARG A 98 ? 0.5668 0.4911 0.4571 0.1619 -0.1226 0.0096 94 ARG H CZ 1496 N NH1 . ARG A 98 ? 0.5942 0.5383 0.5158 0.1835 -0.1142 0.0102 94 ARG H NH1 1497 N NH2 . ARG A 98 ? 0.5949 0.5042 0.4703 0.1593 -0.1430 0.0193 94 ARG H NH2 1511 N N . GLU A 99 ? 0.4782 0.3566 0.2845 0.0849 -0.0705 -0.0218 95 GLU H N 1512 C CA . GLU A 99 ? 0.4667 0.3121 0.2465 0.0779 -0.0716 -0.0160 95 GLU H CA 1513 C C . GLU A 99 ? 0.5267 0.3484 0.2955 0.0908 -0.0823 -0.0101 95 GLU H C 1514 O O . GLU A 99 ? 0.5612 0.3723 0.3341 0.1038 -0.0830 -0.0131 95 GLU H O 1515 C CB . GLU A 99 ? 0.5087 0.3373 0.2813 0.0685 -0.0637 -0.0191 95 GLU H CB 1516 C CG . GLU A 99 ? 0.6088 0.4035 0.3591 0.0600 -0.0641 -0.0104 95 GLU H CG 1517 C CD . GLU A 99 ? 0.7111 0.5089 0.4514 0.0506 -0.0594 -0.0014 95 GLU H CD 1518 O OE1 . GLU A 99 ? 0.7126 0.5346 0.4606 0.0500 -0.0568 -0.0037 95 GLU H OE1 1519 O OE2 . GLU A 99 ? 0.7886 0.5611 0.5103 0.0442 -0.0571 0.0084 95 GLU H OE2 1526 N N . ALA A 100 ? 0.5910 0.4006 0.3417 0.0885 -0.0905 -0.0015 96 ALA H N 1527 C CA . ALA A 100 ? 0.6269 0.4109 0.3632 0.1000 -0.1030 0.0066 96 ALA H CA 1528 C C . ALA A 100 ? 0.6524 0.3981 0.3698 0.0987 -0.0979 0.0085 96 ALA H C 1529 O O . ALA A 100 ? 0.6578 0.3932 0.3650 0.0832 -0.0875 0.0089 96 ALA H O 1530 C CB . ALA A 100 ? 0.6043 0.3761 0.3143 0.0949 -0.1127 0.0156 96 ALA H CB 1536 N N . GLY A 101 ? 0.6686 0.3930 0.3836 0.1149 -0.1060 0.0110 97 GLY H N 1537 C CA . GLY A 101 ? 0.6736 0.3537 0.3671 0.1138 -0.1039 0.0128 97 GLY H CA 1538 C C . GLY A 101 ? 0.7392 0.3926 0.4277 0.1360 -0.1144 0.0168 97 GLY H C 1539 O O . GLY A 101 ? 0.7488 0.4250 0.4577 0.1542 -0.1229 0.0188 97 GLY H O 1543 N N . GLY A 102 ? 0.7798 0.3843 0.4431 0.1343 -0.1144 0.0195 98 GLY H N 1544 C CA . GLY A 102 ? 0.8096 0.3784 0.4627 0.1565 -0.1234 0.0236 98 GLY H CA 1545 C C . GLY A 102 ? 0.9200 0.4288 0.5373 0.1452 -0.1247 0.0301 98 GLY H C 1546 O O . GLY A 102 ? 1.0007 0.4992 0.6094 0.1220 -0.1171 0.0275 98 GLY H O 1550 N N . PRO A 103 ? 0.9281 0.3973 0.5265 0.1605 -0.1358 0.0406 99 PRO H N 1551 C CA . PRO A 103 ? 0.9814 0.3889 0.5435 0.1482 -0.1383 0.0496 99 PRO H CA 1552 C C . PRO A 103 ? 0.9973 0.4021 0.5404 0.1260 -0.1381 0.0661 99 PRO H C 1553 O O . PRO A 103 ? 0.9531 0.3929 0.5025 0.1269 -0.1401 0.0707 99 PRO H O 1554 C CB . PRO A 103 ? 1.0081 0.3975 0.5702 0.1715 -0.1459 0.0522 99 PRO H CB 1555 C CG . PRO A 103 ? 0.9785 0.4156 0.5681 0.1902 -0.1534 0.0561 99 PRO H CG 1556 C CD . PRO A 103 ? 0.9238 0.4040 0.5361 0.1896 -0.1478 0.0466 99 PRO H CD 1564 N N . ILE A 104 ? 1.0542 0.4218 0.5762 0.1047 -0.1340 0.0739 100 ILE H N 1565 C CA . ILE A 104 ? 1.0769 0.4409 0.5807 0.0855 -0.1292 0.0910 100 ILE H CA 1566 C C . ILE A 104 ? 1.1696 0.5002 0.6548 0.0917 -0.1368 0.1010 100 ILE H C 1567 O O . ILE A 104 ? 1.2445 0.5377 0.7228 0.0920 -0.1400 0.0992 100 ILE H O 1568 C CB . ILE A 104 ? 1.0483 0.4018 0.5485 0.0545 -0.1171 0.0975 100 ILE H CB 1569 C CG1 . ILE A 104 ? 1.0154 0.4197 0.5463 0.0462 -0.1072 0.0850 100 ILE H CG1 1570 C CG2 . ILE A 104 ? 1.0351 0.3873 0.5186 0.0376 -0.1072 0.1168 100 ILE H CG2 1571 C CD1 . ILE A 104 ? 0.9757 0.4269 0.5141 0.0499 -0.1005 0.0858 100 ILE H CD1 1583 N N . TRP A 105 A 1.1481 0.4898 0.6225 0.0963 -0.1406 0.1111 100 TRP H N 1584 C CA . TRP A 105 A 1.1617 0.4736 0.6179 0.1043 -0.1497 0.1217 100 TRP H CA 1585 C C . TRP A 105 A 1.2033 0.4851 0.6331 0.0811 -0.1404 0.1380 100 TRP H C 1586 O O . TRP A 105 A 1.1623 0.4589 0.5813 0.0660 -0.1289 0.1467 100 TRP H O 1587 C CB . TRP A 105 A 1.1651 0.5019 0.6219 0.1199 -0.1616 0.1253 100 TRP H CB 1588 C CG . TRP A 105 A 1.2140 0.5797 0.7032 0.1452 -0.1733 0.1145 100 TRP H CG 1589 C CD1 . TRP A 105 A 1.2473 0.6552 0.7630 0.1501 -0.1722 0.1033 100 TRP H CD1 1590 C CD2 . TRP A 105 A 1.2566 0.6146 0.7588 0.1696 -0.1863 0.1160 100 TRP H CD2 1591 N NE1 . TRP A 105 A 1.2456 0.6754 0.7928 0.1753 -0.1827 0.0984 100 TRP H NE1 1592 C CE2 . TRP A 105 A 1.2290 0.6299 0.7698 0.1884 -0.1908 0.1063 100 TRP H CE2 1593 C CE3 . TRP A 105 A 1.3662 0.6866 0.8533 0.1780 -0.1935 0.1259 100 TRP H CE3 1594 C CZ2 . TRP A 105 A 1.2358 0.6467 0.8041 0.2156 -0.2003 0.1074 100 TRP H CZ2 1595 C CZ3 . TRP A 105 A 1.4069 0.7337 0.9183 0.2058 -0.2042 0.1260 100 TRP H CZ3 1596 C CH2 . TRP A 105 A 1.3370 0.7105 0.8904 0.2246 -0.2066 0.1173 100 TRP H CH2 1607 N N . HIS A 106 B 1.3265 0.5659 0.7463 0.0791 -0.1441 0.1424 100 HIS H N 1608 C CA . HIS A 106 B 1.4844 0.6927 0.8804 0.0603 -0.1380 0.1606 100 HIS H CA 1609 C C . HIS A 106 B 1.4863 0.6601 0.8664 0.0778 -0.1523 0.1663 100 HIS H C 1610 O O . HIS A 106 B 1.4563 0.6020 0.8401 0.0877 -0.1598 0.1591 100 HIS H O 1611 C CB . HIS A 106 B 1.6837 0.8716 1.0855 0.0350 -0.1294 0.1625 100 HIS H CB 1612 C CG . HIS A 106 B 1.7862 1.0087 1.2087 0.0182 -0.1169 0.1577 100 HIS H CG 1613 N ND1 . HIS A 106 B 1.7887 1.0513 1.2141 0.0171 -0.1060 0.1604 100 HIS H ND1 1614 C CD2 . HIS A 106 B 1.8193 1.0414 1.2598 0.0019 -0.1145 0.1505 100 HIS H CD2 1615 C CE1 . HIS A 106 B 1.7524 1.0391 1.1988 0.0020 -0.0960 0.1563 100 HIS H CE1 1616 N NE2 . HIS A 106 B 1.7705 1.0343 1.2276 -0.0084 -0.1019 0.1507 100 HIS H NE2 1624 N N . ASP A 107 C 1.5780 0.7524 0.9384 0.0825 -0.1560 0.1790 100 ASP H N 1625 C CA . ASP A 107 C 1.7576 0.9086 1.1070 0.1034 -0.1726 0.1847 100 ASP H CA 1626 C C . ASP A 107 C 1.7525 0.9328 1.1303 0.1313 -0.1858 0.1707 100 ASP H C 1627 O O . ASP A 107 C 1.6878 0.9111 1.0818 0.1339 -0.1854 0.1631 100 ASP H O 1628 C CB . ASP A 107 C 1.9247 1.0231 1.2620 0.1002 -0.1748 0.1906 100 ASP H CB 1629 C CG . ASP A 107 C 2.0669 1.1390 1.3802 0.0724 -0.1627 0.2087 100 ASP H CG 1630 O OD1 . ASP A 107 C 2.0816 1.1791 1.3945 0.0536 -0.1476 0.2138 100 ASP H OD1 1631 O OD2 . ASP A 107 C 2.1646 1.1915 1.4611 0.0699 -0.1672 0.2188 100 ASP H OD2 1636 N N . ASP A 108 D 1.8050 0.9637 1.1912 0.1525 -0.1961 0.1682 100 ASP H N 1637 C CA . ASP A 108 D 1.7680 0.9580 1.1874 0.1812 -0.2060 0.1584 100 ASP H CA 1638 C C . ASP A 108 D 1.6101 0.7987 1.0503 0.1893 -0.1982 0.1406 100 ASP H C 1639 O O . ASP A 108 D 1.5427 0.7493 1.0107 0.2158 -0.2024 0.1330 100 ASP H O 1640 C CB . ASP A 108 D 1.9509 1.1238 1.3701 0.2046 -0.2216 0.1696 100 ASP H CB 1641 C CG . ASP A 108 D 2.1201 1.2857 1.5114 0.1963 -0.2307 0.1877 100 ASP H CG 1642 O OD1 . ASP A 108 D 2.1463 1.3356 1.5270 0.1798 -0.2271 0.1889 100 ASP H OD1 1643 O OD2 . ASP A 108 D 2.2258 1.3597 1.6033 0.2071 -0.2411 0.2005 100 ASP H OD2 1648 N N . VAL A 109 E 1.5619 0.7302 0.9892 0.1661 -0.1865 0.1349 100 VAL H N 1649 C CA . VAL A 109 E 1.5399 0.6995 0.9782 0.1702 -0.1800 0.1172 100 VAL H CA 1650 C C . VAL A 109 E 1.4607 0.6607 0.9166 0.1589 -0.1711 0.1059 100 VAL H C 1651 O O . VAL A 109 E 1.4817 0.6901 0.9295 0.1329 -0.1645 0.1117 100 VAL H O 1652 C CB . VAL A 109 E 1.5594 0.6618 0.9716 0.1517 -0.1771 0.1178 100 VAL H CB 1653 C CG1 . VAL A 109 E 1.6301 0.7213 1.0232 0.1188 -0.1727 0.1341 100 VAL H CG1 1654 C CG2 . VAL A 109 E 1.4775 0.5739 0.8953 0.1465 -0.1707 0.0987 100 VAL H CG2 1664 N N . LYS A 110 F 1.3533 0.5793 0.8345 0.1797 -0.1694 0.0909 100 LYS H N 1665 C CA . LYS A 110 F 1.2165 0.4801 0.7155 0.1725 -0.1617 0.0793 100 LYS H CA 1666 C C . LYS A 110 F 1.1956 0.4313 0.6830 0.1548 -0.1540 0.0677 100 LYS H C 1667 O O . LYS A 110 F 1.1925 0.3961 0.6716 0.1653 -0.1537 0.0578 100 LYS H O 1668 C CB . LYS A 110 F 1.1817 0.4874 0.7150 0.2023 -0.1621 0.0697 100 LYS H CB 1669 C CG . LYS A 110 F 1.2220 0.5658 0.7747 0.2154 -0.1731 0.0815 100 LYS H CG 1670 C CD . LYS A 110 F 1.2680 0.6579 0.8635 0.2435 -0.1734 0.0750 100 LYS H CD 1671 C CE . LYS A 110 F 1.3776 0.7467 0.9822 0.2711 -0.1714 0.0730 100 LYS H CE 1672 N NZ . LYS A 110 F 1.3812 0.8024 1.0350 0.2991 -0.1693 0.0711 100 LYS H NZ 1686 N N . TYR A 111 G 1.1913 0.4393 0.6776 0.1276 -0.1483 0.0695 100 TYR H N 1687 C CA . TYR A 111 G 1.1718 0.3991 0.6516 0.1062 -0.1442 0.0604 100 TYR H CA 1688 C C . TYR A 111 G 1.1335 0.3959 0.6329 0.1100 -0.1385 0.0452 100 TYR H C 1689 O O . TYR A 111 G 1.0822 0.3846 0.5968 0.1064 -0.1347 0.0489 100 TYR H O 1690 C CB . TYR A 111 G 1.1717 0.3890 0.6425 0.0703 -0.1411 0.0760 100 TYR H CB 1691 C CG . TYR A 111 G 1.2694 0.4433 0.7186 0.0616 -0.1456 0.0896 100 TYR H CG 1692 C CD1 . TYR A 111 G 1.3802 0.5099 0.8157 0.0462 -0.1502 0.0867 100 TYR H CD1 1693 C CD2 . TYR A 111 G 1.3221 0.4976 0.7624 0.0683 -0.1467 0.1054 100 TYR H CD2 1694 C CE1 . TYR A 111 G 1.4877 0.5761 0.9036 0.0378 -0.1547 0.0999 100 TYR H CE1 1695 C CE2 . TYR A 111 G 1.4392 0.5735 0.8587 0.0607 -0.1504 0.1187 100 TYR H CE2 1696 C CZ . TYR A 111 G 1.5253 0.6163 0.9339 0.0457 -0.1539 0.1163 100 TYR H CZ 1697 O OH . TYR A 111 G 1.6074 0.6560 0.9954 0.0376 -0.1580 0.1304 100 TYR H OH 1707 N N . TYS A 112 H 1.1505 0.3956 0.6459 0.1176 -0.1374 0.0280 100 TYS H N 1708 C CA . TYS A 112 H 1.0887 0.3630 0.5989 0.1214 -0.1311 0.0123 100 TYS H CA 1709 C CB . TYS A 112 H 1.1323 0.4123 0.6484 0.1562 -0.1260 -0.0025 100 TYS H CB 1710 C CG . TYS A 112 H 1.1958 0.5090 0.7356 0.1851 -0.1262 0.0054 100 TYS H CG 1711 C CD1 . TYS A 112 H 1.3007 0.5916 0.8330 0.1962 -0.1330 0.0168 100 TYS H CD1 1712 C CD2 . TYS A 112 H 1.1634 0.5318 0.7350 0.1997 -0.1216 0.0026 100 TYS H CD2 1713 C CE1 . TYS A 112 H 1.3326 0.6567 0.8900 0.2202 -0.1366 0.0255 100 TYS H CE1 1714 C CE2 . TYS A 112 H 1.1908 0.5943 0.7893 0.2225 -0.1255 0.0118 100 TYS H CE2 1715 C CZ . TYS A 112 H 1.2820 0.6638 0.8740 0.2324 -0.1337 0.0233 100 TYS H CZ 1716 O OH . TYS A 112 H 1.2950 0.7127 0.9161 0.2525 -0.1408 0.0340 100 TYS H OH 1717 S S . TYS A 112 H 1.5112 0.9753 1.1754 0.2834 -0.1315 0.0269 100 TYS H S 1718 O O1 . TYS A 112 H 1.4745 1.0026 1.1770 0.2841 -0.1391 0.0351 100 TYS H O1 1719 O O2 . TYS A 112 H 1.5823 1.0407 1.2393 0.2838 -0.1144 0.0079 100 TYS H O2 1720 O O3 . TYS A 112 H 1.4546 0.9059 1.1295 0.3104 -0.1325 0.0334 100 TYS H O3 1721 C C . TYS A 112 H 1.0896 0.3429 0.5883 0.0907 -0.1327 0.0059 100 TYS H C 1722 O O . TYS A 112 H 1.0925 0.3055 0.5720 0.0716 -0.1393 0.0109 100 TYS H O 1730 N N . ASP A 113 I 1.1006 0.3836 0.6132 0.0850 -0.1281 -0.0041 100 ASP H N 1731 C CA . ASP A 113 I 1.1033 0.3766 0.6113 0.0540 -0.1321 -0.0090 100 ASP H CA 1732 C C . ASP A 113 I 1.1471 0.3900 0.6320 0.0609 -0.1350 -0.0270 100 ASP H C 1733 O O . ASP A 113 I 1.1807 0.4069 0.6529 0.0897 -0.1311 -0.0340 100 ASP H O 1734 C CB . ASP A 113 I 1.0629 0.4086 0.6070 0.0442 -0.1232 -0.0117 100 ASP H CB 1735 C CG . ASP A 113 I 1.1219 0.4750 0.6753 0.0069 -0.1281 -0.0071 100 ASP H CG 1736 O OD1 . ASP A 113 I 1.1898 0.4967 0.7264 -0.0157 -0.1387 0.0022 100 ASP H OD1 1737 O OD2 . ASP A 113 I 1.1078 0.5138 0.6877 -0.0004 -0.1223 -0.0111 100 ASP H OD2 1742 N N . PHE A 114 J 1.1721 0.4085 0.6514 0.0345 -0.1419 -0.0327 100 PHE H N 1743 C CA . PHE A 114 J 1.2192 0.4259 0.6702 0.0390 -0.1455 -0.0488 100 PHE H CA 1744 C C . PHE A 114 J 1.2242 0.4466 0.6724 0.0777 -0.1308 -0.0636 100 PHE H C 1745 O O . PHE A 114 J 1.1833 0.4533 0.6571 0.0898 -0.1205 -0.0663 100 PHE H O 1746 C CB . PHE A 114 J 1.2026 0.4192 0.6562 0.0080 -0.1550 -0.0524 100 PHE H CB 1747 C CG . PHE A 114 J 1.2166 0.4189 0.6768 -0.0318 -0.1703 -0.0366 100 PHE H CG 1748 C CD1 . PHE A 114 J 1.2746 0.4253 0.7077 -0.0427 -0.1826 -0.0337 100 PHE H CD1 1749 C CD2 . PHE A 114 J 1.1655 0.4079 0.6617 -0.0584 -0.1714 -0.0231 100 PHE H CD2 1750 C CE1 . PHE A 114 J 1.2842 0.4275 0.7294 -0.0803 -0.1961 -0.0171 100 PHE H CE1 1751 C CE2 . PHE A 114 J 1.1798 0.4182 0.6910 -0.0950 -0.1828 -0.0050 100 PHE H CE2 1752 C CZ . PHE A 114 J 1.2418 0.4325 0.7292 -0.1064 -0.1953 -0.0018 100 PHE H CZ 1762 N N . ASN A 115 K 1.2866 0.4694 0.7047 0.0968 -0.1289 -0.0721 100 ASN H N 1763 C CA . ASN A 115 K 1.3122 0.5090 0.7292 0.1339 -0.1120 -0.0837 100 ASN H CA 1764 C C . ASN A 115 K 1.2760 0.5115 0.7271 0.1617 -0.1015 -0.0761 100 ASN H C 1765 O O . ASN A 115 K 1.2564 0.5316 0.7278 0.1863 -0.0867 -0.0816 100 ASN H O 1766 C CB . ASN A 115 K 1.3279 0.5562 0.7485 0.1308 -0.1048 -0.0950 100 ASN H CB 1767 C CG . ASN A 115 K 1.4654 0.6578 0.8528 0.1037 -0.1182 -0.1012 100 ASN H CG 1768 O OD1 . ASN A 115 K 1.4355 0.6483 0.8348 0.0751 -0.1278 -0.0986 100 ASN H OD1 1769 N ND2 . ASN A 115 K 1.6238 0.7621 0.9694 0.1129 -0.1200 -0.1085 100 ASN H ND2 1776 N N . ASP A 116 L 1.2943 0.5197 0.7524 0.1568 -0.1099 -0.0616 100 ASP H N 1777 C CA . ASP A 116 L 1.3066 0.5650 0.7945 0.1814 -0.1049 -0.0516 100 ASP H CA 1778 C C . ASP A 116 L 1.1265 0.4456 0.6496 0.1815 -0.0998 -0.0499 100 ASP H C 1779 O O . ASP A 116 L 1.0832 0.4420 0.6356 0.2069 -0.0933 -0.0462 100 ASP H O 1780 C CB . ASP A 116 L 1.4998 0.7558 0.9889 0.2197 -0.0933 -0.0573 100 ASP H CB 1781 C CG . ASP A 116 L 1.6844 0.9399 1.1881 0.2388 -0.0973 -0.0431 100 ASP H CG 1782 O OD1 . ASP A 116 L 1.7516 1.0444 1.2861 0.2691 -0.0883 -0.0407 100 ASP H OD1 1783 O OD2 . ASP A 116 L 1.7632 0.9831 1.2495 0.2226 -0.1098 -0.0328 100 ASP H OD2 1788 N N . GLY A 117 M 1.0488 0.3762 0.5716 0.1524 -0.1037 -0.0515 100 GLY H N 1789 C CA . GLY A 117 M 0.9967 0.3838 0.5522 0.1490 -0.0982 -0.0506 100 GLY H CA 1790 C C . GLY A 117 M 0.9693 0.3907 0.5489 0.1361 -0.1025 -0.0322 100 GLY H C 1791 O O . GLY A 117 M 0.9898 0.3776 0.5533 0.1196 -0.1108 -0.0205 100 GLY H O 1795 N N . TYR A 118 N 0.8996 0.3849 0.5144 0.1432 -0.0966 -0.0292 100 TYR H N 1796 C CA . TYR A 118 N 0.8651 0.3802 0.4953 0.1321 -0.1003 -0.0139 100 TYR H CA 1797 C C . TYR A 118 N 0.8105 0.3300 0.4382 0.0980 -0.0995 -0.0079 100 TYR H C 1798 O O . TYR A 118 N 0.7897 0.3189 0.4217 0.0827 -0.0959 -0.0161 100 TYR H O 1799 C CB . TYR A 118 N 0.8536 0.4330 0.5190 0.1426 -0.0959 -0.0143 100 TYR H CB 1800 C CG . TYR A 118 N 0.8590 0.4501 0.5407 0.1748 -0.0982 -0.0128 100 TYR H CG 1801 C CD1 . TYR A 118 N 0.8717 0.4168 0.5360 0.1970 -0.1021 -0.0116 100 TYR H CD1 1802 C CD2 . TYR A 118 N 0.8010 0.4500 0.5186 0.1828 -0.0972 -0.0109 100 TYR H CD2 1803 C CE1 . TYR A 118 N 0.8750 0.4369 0.5618 0.2288 -0.1036 -0.0076 100 TYR H CE1 1804 C CE2 . TYR A 118 N 0.8043 0.4719 0.5462 0.2108 -0.1005 -0.0063 100 TYR H CE2 1805 C CZ . TYR A 118 N 0.8640 0.4908 0.5928 0.2349 -0.1030 -0.0041 100 TYR H CZ 1806 O OH . TYR A 118 N 0.9235 0.5743 0.6837 0.2650 -0.1057 0.0029 100 TYR H OH 1816 N N . TYR A 119 O 0.8120 0.3249 0.4329 0.0871 -0.1024 0.0080 100 TYR H N 1817 C CA . TYR A 119 O 0.8156 0.3487 0.4435 0.0596 -0.0964 0.0170 100 TYR H CA 1818 C C . TYR A 119 O 0.7668 0.3557 0.4173 0.0636 -0.0900 0.0163 100 TYR H C 1819 O O . TYR A 119 O 0.7831 0.3876 0.4396 0.0835 -0.0941 0.0143 100 TYR H O 1820 C CB . TYR A 119 O 0.8405 0.3401 0.4470 0.0477 -0.0983 0.0357 100 TYR H CB 1821 C CG . TYR A 119 O 0.9047 0.3488 0.4908 0.0338 -0.1047 0.0395 100 TYR H CG 1822 C CD1 . TYR A 119 O 0.8893 0.3338 0.4844 0.0065 -0.1033 0.0404 100 TYR H CD1 1823 C CD2 . TYR A 119 O 0.9614 0.3508 0.5195 0.0470 -0.1142 0.0437 100 TYR H CD2 1824 C CE1 . TYR A 119 O 0.9271 0.3182 0.5033 -0.0101 -0.1126 0.0447 100 TYR H CE1 1825 C CE2 . TYR A 119 O 1.0088 0.3403 0.5443 0.0326 -0.1216 0.0473 100 TYR H CE2 1826 C CZ . TYR A 119 O 0.9867 0.3187 0.5309 0.0026 -0.1215 0.0476 100 TYR H CZ 1827 O OH . TYR A 119 O 1.0250 0.2970 0.5468 -0.0156 -0.1323 0.0518 100 TYR H OH 1837 N N . ASN A 120 P 0.7110 0.3292 0.3752 0.0446 -0.0810 0.0187 100 ASN H N 1838 C CA . ASN A 120 P 0.7290 0.3913 0.4082 0.0468 -0.0747 0.0183 100 ASN H CA 1839 C C . ASN A 120 P 0.7538 0.4078 0.4136 0.0463 -0.0735 0.0321 100 ASN H C 1840 O O . ASN A 120 P 0.8109 0.4384 0.4534 0.0347 -0.0696 0.0451 100 ASN H O 1841 C CB . ASN A 120 P 0.7438 0.4372 0.4434 0.0298 -0.0647 0.0165 100 ASN H CB 1842 C CG . ASN A 120 P 0.7377 0.4387 0.4506 0.0294 -0.0673 0.0029 100 ASN H CG 1843 O OD1 . ASN A 120 P 0.7373 0.4416 0.4519 0.0465 -0.0708 -0.0080 100 ASN H OD1 1844 N ND2 . ASN A 120 P 0.7383 0.4429 0.4607 0.0101 -0.0654 0.0050 100 ASN H ND2 1851 N N . TYR A 121 Q 0.7265 0.4010 0.3867 0.0579 -0.0774 0.0301 100 TYR H N 1852 C CA . TYR A 121 Q 0.7101 0.3736 0.3434 0.0579 -0.0780 0.0412 100 TYR H CA 1853 C C . TYR A 121 Q 0.6513 0.3388 0.2854 0.0476 -0.0637 0.0418 100 TYR H C 1854 O O . TYR A 121 Q 0.7004 0.3750 0.3051 0.0465 -0.0595 0.0502 100 TYR H O 1855 C CB . TYR A 121 Q 0.7381 0.4040 0.3672 0.0754 -0.0955 0.0399 100 TYR H CB 1856 C CG . TYR A 121 Q 0.8029 0.4392 0.4251 0.0896 -0.1090 0.0442 100 TYR H CG 1857 C CD1 . TYR A 121 Q 0.8028 0.4498 0.4368 0.1082 -0.1258 0.0434 100 TYR H CD1 1858 C CD2 . TYR A 121 Q 0.8699 0.4673 0.4761 0.0844 -0.1057 0.0507 100 TYR H CD2 1859 C CE1 . TYR A 121 Q 0.8457 0.4661 0.4758 0.1248 -0.1372 0.0486 100 TYR H CE1 1860 C CE2 . TYR A 121 Q 0.8996 0.4638 0.4962 0.0993 -0.1179 0.0546 100 TYR H CE2 1861 C CZ . TYR A 121 Q 0.8887 0.4649 0.4973 0.1212 -0.1328 0.0534 100 TYR H CZ 1862 O OH . TYR A 121 Q 0.9304 0.4744 0.5320 0.1396 -0.1440 0.0585 100 TYR H OH 1872 N N . HIS A 122 R 0.5921 0.3106 0.2558 0.0419 -0.0560 0.0328 100 HIS H N 1873 C CA . HIS A 122 R 0.5831 0.3236 0.2522 0.0335 -0.0405 0.0339 100 HIS H CA 1874 C C . HIS A 122 R 0.6241 0.3734 0.2792 0.0410 -0.0435 0.0296 100 HIS H C 1875 O O . HIS A 122 R 0.6682 0.4119 0.3019 0.0384 -0.0315 0.0348 100 HIS H O 1876 C CB . HIS A 122 R 0.6194 0.3441 0.2739 0.0222 -0.0244 0.0494 100 HIS H CB 1877 C CG . HIS A 122 R 0.7078 0.4209 0.3761 0.0103 -0.0243 0.0559 100 HIS H CG 1878 N ND1 . HIS A 122 R 0.7758 0.4563 0.4231 0.0037 -0.0218 0.0708 100 HIS H ND1 1879 C CD2 . HIS A 122 R 0.7359 0.4610 0.4328 0.0022 -0.0284 0.0497 100 HIS H CD2 1880 C CE1 . HIS A 122 R 0.7914 0.4642 0.4564 -0.0093 -0.0253 0.0735 100 HIS H CE1 1881 N NE2 . HIS A 122 R 0.7628 0.4611 0.4559 -0.0103 -0.0301 0.0602 100 HIS H NE2 1889 N N . TYR A 123 S 0.6085 0.3700 0.2751 0.0501 -0.0594 0.0206 100 TYR H N 1890 C CA . TYR A 123 S 0.5994 0.3746 0.2624 0.0530 -0.0655 0.0151 100 TYR H CA 1891 C C . TYR A 123 S 0.5764 0.3797 0.2729 0.0593 -0.0782 0.0063 100 TYR H C 1892 O O . TYR A 123 S 0.5687 0.3740 0.2821 0.0665 -0.0837 0.0052 100 TYR H O 1893 C CB . TYR A 123 S 0.6113 0.3572 0.2315 0.0564 -0.0760 0.0216 100 TYR H CB 1894 C CG . TYR A 123 S 0.6347 0.3681 0.2509 0.0657 -0.0980 0.0257 100 TYR H CG 1895 C CD1 . TYR A 123 S 0.6023 0.3534 0.2348 0.0717 -0.1188 0.0222 100 TYR H CD1 1896 C CD2 . TYR A 123 S 0.6747 0.3789 0.2731 0.0684 -0.0985 0.0353 100 TYR H CD2 1897 C CE1 . TYR A 123 S 0.6161 0.3605 0.2513 0.0822 -0.1393 0.0285 100 TYR H CE1 1898 C CE2 . TYR A 123 S 0.6835 0.3748 0.2786 0.0794 -0.1190 0.0404 100 TYR H CE2 1899 C CZ . TYR A 123 S 0.6776 0.3911 0.2930 0.0874 -0.1393 0.0372 100 TYR H CZ 1900 O OH . TYR A 123 S 0.7540 0.4594 0.3727 0.1003 -0.1601 0.0446 100 TYR H OH 1910 N N . MET A 124 T 0.5336 0.3566 0.2385 0.0572 -0.0809 0.0008 100 MET H N 1911 C CA . MET A 124 T 0.5293 0.3841 0.2699 0.0611 -0.0892 -0.0051 100 MET H CA 1912 C C . MET A 124 T 0.5254 0.3823 0.2653 0.0656 -0.1112 -0.0017 100 MET H C 1913 O O . MET A 124 T 0.5867 0.4333 0.3044 0.0596 -0.1198 -0.0010 100 MET H O 1914 C CB . MET A 124 T 0.5348 0.4110 0.2895 0.0535 -0.0792 -0.0113 100 MET H CB 1915 C CG . MET A 124 T 0.5371 0.4148 0.2962 0.0482 -0.0608 -0.0126 100 MET H CG 1916 S SD . MET A 124 T 0.8161 0.7086 0.5805 0.0408 -0.0492 -0.0160 100 MET H SD 1917 C CE . MET A 124 T 0.4666 0.3612 0.2402 0.0354 -0.0323 -0.0123 100 MET H CE 1927 N N . ASP A 125 ? 0.5120 0.3809 0.2760 0.0768 -0.1212 0.0011 101 ASP H N 1928 C CA . ASP A 125 ? 0.5670 0.4397 0.3357 0.0822 -0.1452 0.0084 101 ASP H CA 1929 C C . ASP A 125 ? 0.5473 0.4644 0.3642 0.0842 -0.1532 0.0085 101 ASP H C 1930 O O . ASP A 125 ? 0.5733 0.5028 0.4049 0.0864 -0.1754 0.0164 101 ASP H O 1931 C CB . ASP A 125 ? 0.6102 0.4642 0.3736 0.0961 -0.1523 0.0157 101 ASP H CB 1932 C CG . ASP A 125 ? 0.6157 0.4816 0.4078 0.1085 -0.1389 0.0118 101 ASP H CG 1933 O OD1 . ASP A 125 ? 0.5552 0.4401 0.3645 0.1045 -0.1228 0.0033 101 ASP H OD1 1934 O OD2 . ASP A 125 ? 0.6523 0.5038 0.4449 0.1230 -0.1448 0.0172 101 ASP H OD2 1939 N N . VAL A 126 ? 0.4765 0.4184 0.3188 0.0826 -0.1358 0.0015 102 VAL H N 1940 C CA . VAL A 126 ? 0.4598 0.4447 0.3469 0.0824 -0.1389 0.0032 102 VAL H CA 1941 C C . VAL A 126 ? 0.4682 0.4643 0.3582 0.0706 -0.1236 -0.0044 102 VAL H C 1942 O O . VAL A 126 ? 0.4256 0.4107 0.3027 0.0704 -0.1055 -0.0113 102 VAL H O 1943 C CB . VAL A 126 ? 0.4376 0.4479 0.3627 0.1011 -0.1316 0.0059 102 VAL H CB 1944 C CG1 . VAL A 126 ? 0.4122 0.4717 0.3873 0.1006 -0.1325 0.0111 102 VAL H CG1 1945 C CG2 . VAL A 126 ? 0.4442 0.4407 0.3669 0.1158 -0.1463 0.0143 102 VAL H CG2 1955 N N . TRP A 127 ? 0.4996 0.5163 0.4069 0.0596 -0.1332 -0.0018 103 TRP H N 1956 C CA . TRP A 127 ? 0.4415 0.4656 0.3500 0.0482 -0.1212 -0.0073 103 TRP H CA 1957 C C . TRP A 127 ? 0.4475 0.5143 0.4024 0.0449 -0.1225 -0.0017 103 TRP H C 1958 O O . TRP A 127 ? 0.4677 0.5584 0.4534 0.0466 -0.1384 0.0079 103 TRP H O 1959 C CB . TRP A 127 ? 0.4397 0.4333 0.3105 0.0345 -0.1302 -0.0099 103 TRP H CB 1960 C CG . TRP A 127 ? 0.4645 0.4188 0.2900 0.0371 -0.1223 -0.0139 103 TRP H CG 1961 C CD1 . TRP A 127 ? 0.5012 0.4317 0.3027 0.0437 -0.1296 -0.0105 103 TRP H CD1 1962 C CD2 . TRP A 127 ? 0.4453 0.3815 0.2469 0.0335 -0.1045 -0.0195 103 TRP H CD2 1963 N NE1 . TRP A 127 ? 0.5140 0.4136 0.2782 0.0431 -0.1156 -0.0133 103 TRP H NE1 1964 C CE2 . TRP A 127 ? 0.4931 0.3980 0.2596 0.0376 -0.0999 -0.0184 103 TRP H CE2 1965 C CE3 . TRP A 127 ? 0.3865 0.3310 0.1949 0.0278 -0.0919 -0.0235 103 TRP H CE3 1966 C CZ2 . TRP A 127 ? 0.4867 0.3738 0.2306 0.0364 -0.0815 -0.0203 103 TRP H CZ2 1967 C CZ3 . TRP A 127 ? 0.3754 0.3008 0.1607 0.0280 -0.0758 -0.0259 103 TRP H CZ3 1968 C CH2 . TRP A 127 ? 0.4328 0.3323 0.1889 0.0324 -0.0700 -0.0239 103 TRP H CH2 1979 N N . GLY A 128 ? 0.4487 0.5268 0.4105 0.0399 -0.1061 -0.0056 104 GLY H N 1980 C CA . GLY A 128 ? 0.4463 0.5624 0.4481 0.0342 -0.1042 0.0011 104 GLY H CA 1981 C C . GLY A 128 ? 0.5157 0.6236 0.5099 0.0141 -0.1171 0.0027 104 GLY H C 1982 O O . GLY A 128 ? 0.4574 0.5279 0.4119 0.0074 -0.1265 -0.0027 104 GLY H O 1986 N N . LYS A 129 ? 0.6583 0.7981 0.6880 0.0050 -0.1163 0.0105 105 LYS H N 1987 C CA . LYS A 129 ? 0.7762 0.9056 0.8000 -0.0159 -0.1299 0.0130 105 LYS H CA 1988 C C . LYS A 129 ? 0.6427 0.7435 0.6319 -0.0193 -0.1149 0.0036 105 LYS H C 1989 O O . LYS A 129 ? 0.5921 0.6608 0.5524 -0.0313 -0.1249 0.0003 105 LYS H O 1990 C CB . LYS A 129 ? 0.9741 1.1490 1.0513 -0.0260 -0.1323 0.0271 105 LYS H CB 1991 C CG . LYS A 129 ? 1.1483 1.3254 1.2406 -0.0460 -0.1641 0.0369 105 LYS H CG 1992 C CD . LYS A 129 ? 1.2047 1.4247 1.3493 -0.0610 -0.1635 0.0523 105 LYS H CD 1993 C CE . LYS A 129 ? 1.2208 1.4500 1.3908 -0.0829 -0.1992 0.0651 105 LYS H CE 1994 N NZ . LYS A 129 ? 1.1784 1.4725 1.4241 -0.0905 -0.1970 0.0865 105 LYS H NZ 2008 N N . GLY A 130 ? 0.5798 0.6904 0.5709 -0.0081 -0.0918 -0.0001 106 GLY H N 2009 C CA . GLY A 130 ? 0.5239 0.6146 0.4900 -0.0099 -0.0782 -0.0063 106 GLY H CA 2010 C C . GLY A 130 ? 0.4560 0.5683 0.4437 -0.0185 -0.0700 0.0005 106 GLY H C 2011 O O . GLY A 130 ? 0.4857 0.6189 0.5018 -0.0296 -0.0792 0.0103 106 GLY H O 2015 N N . THR A 131 ? 0.4066 0.5141 0.3817 -0.0144 -0.0537 -0.0028 107 THR H N 2016 C CA . THR A 131 ? 0.4061 0.5275 0.3931 -0.0223 -0.0449 0.0042 107 THR H CA 2017 C C . THR A 131 ? 0.3996 0.4915 0.3574 -0.0252 -0.0417 0.0003 107 THR H C 2018 O O . THR A 131 ? 0.3524 0.4269 0.2888 -0.0163 -0.0375 -0.0071 107 THR H O 2019 C CB . THR A 131 ? 0.4051 0.5549 0.4076 -0.0119 -0.0264 0.0071 107 THR H CB 2020 O OG1 . THR A 131 ? 0.4594 0.6235 0.4731 -0.0208 -0.0176 0.0166 107 THR H OG1 2021 C CG2 . THR A 131 ? 0.3629 0.4955 0.3376 0.0003 -0.0167 -0.0028 107 THR H CG2 2029 N N . THR A 132 ? 0.4232 0.5105 0.3833 -0.0377 -0.0439 0.0071 108 THR H N 2030 C CA . THR A 132 ? 0.4621 0.5183 0.3960 -0.0393 -0.0429 0.0049 108 THR H CA 2031 C C . THR A 132 ? 0.4534 0.5173 0.3838 -0.0340 -0.0288 0.0077 108 THR H C 2032 O O . THR A 132 ? 0.4551 0.5420 0.4000 -0.0371 -0.0207 0.0151 108 THR H O 2033 C CB . THR A 132 ? 0.5488 0.5859 0.4801 -0.0555 -0.0545 0.0107 108 THR H CB 2034 O OG1 . THR A 132 ? 0.6022 0.6271 0.5310 -0.0624 -0.0720 0.0080 108 THR H OG1 2035 C CG2 . THR A 132 ? 0.5856 0.5853 0.4873 -0.0530 -0.0523 0.0082 108 THR H CG2 2043 N N . VAL A 133 ? 0.4286 0.4731 0.3390 -0.0259 -0.0259 0.0030 109 VAL H N 2044 C CA . VAL A 133 ? 0.3951 0.4425 0.2993 -0.0220 -0.0179 0.0066 109 VAL H CA 2045 C C . VAL A 133 ? 0.4339 0.4554 0.3248 -0.0229 -0.0202 0.0104 109 VAL H C 2046 O O . VAL A 133 ? 0.4431 0.4441 0.3234 -0.0166 -0.0222 0.0059 109 VAL H O 2047 C CB . VAL A 133 ? 0.3779 0.4300 0.2766 -0.0113 -0.0144 0.0005 109 VAL H CB 2048 C CG1 . VAL A 133 ? 0.4002 0.4518 0.2902 -0.0093 -0.0117 0.0052 109 VAL H CG1 2049 C CG2 . VAL A 133 ? 0.3596 0.4304 0.2665 -0.0078 -0.0111 -0.0036 109 VAL H CG2 2059 N N . THR A 134 ? 0.4296 0.4506 0.3197 -0.0293 -0.0183 0.0196 110 THR H N 2060 C CA . THR A 134 ? 0.4575 0.4510 0.3348 -0.0292 -0.0207 0.0248 110 THR H CA 2061 C C . THR A 134 ? 0.4547 0.4526 0.3270 -0.0228 -0.0171 0.0314 110 THR H C 2062 O O . THR A 134 ? 0.4773 0.4884 0.3487 -0.0279 -0.0137 0.0383 110 THR H O 2063 C CB . THR A 134 ? 0.5460 0.5272 0.4237 -0.0443 -0.0250 0.0328 110 THR H CB 2064 O OG1 . THR A 134 ? 0.5738 0.5524 0.4580 -0.0530 -0.0330 0.0281 110 THR H OG1 2065 C CG2 . THR A 134 ? 0.5852 0.5289 0.4448 -0.0424 -0.0281 0.0373 110 THR H CG2 2073 N N . VAL A 135 ? 0.4482 0.4351 0.3168 -0.0113 -0.0179 0.0307 111 VAL H N 2074 C CA . VAL A 135 ? 0.4451 0.4366 0.3124 -0.0054 -0.0191 0.0389 111 VAL H CA 2075 C C . VAL A 135 ? 0.5351 0.5005 0.3949 -0.0022 -0.0208 0.0483 111 VAL H C 2076 O O . VAL A 135 ? 0.6265 0.5724 0.4854 0.0079 -0.0193 0.0466 111 VAL H O 2077 C CB . VAL A 135 ? 0.4411 0.4443 0.3184 0.0052 -0.0199 0.0358 111 VAL H CB 2078 C CG1 . VAL A 135 ? 0.4618 0.4740 0.3406 0.0081 -0.0262 0.0458 111 VAL H CG1 2079 C CG2 . VAL A 135 ? 0.4101 0.4302 0.2913 0.0025 -0.0187 0.0257 111 VAL H CG2 2089 N N . SER A 136 ? 0.5389 0.5008 0.3904 -0.0092 -0.0226 0.0587 112 SER H N 2090 C CA . SER A 136 ? 0.5329 0.4646 0.3744 -0.0078 -0.0249 0.0687 112 SER H CA 2091 C C . SER A 136 ? 0.5066 0.4395 0.3394 -0.0089 -0.0286 0.0832 112 SER H C 2092 O O . SER A 136 ? 0.5101 0.4612 0.3367 -0.0172 -0.0273 0.0857 112 SER H O 2093 C CB . SER A 136 ? 0.5563 0.4669 0.3906 -0.0218 -0.0249 0.0678 112 SER H CB 2094 O OG . SER A 136 ? 0.6132 0.4892 0.4337 -0.0230 -0.0280 0.0784 112 SER H OG 2100 N N . SER A 137 ? 0.4676 0.3777 0.2963 0.0010 -0.0326 0.0930 113 SER H N 2101 C CA . SER A 137 ? 0.4946 0.3997 0.3120 0.0010 -0.0389 0.1090 113 SER H CA 2102 C C . SER A 137 ? 0.5904 0.4645 0.3900 -0.0102 -0.0379 0.1191 113 SER H C 2103 O O . SER A 137 ? 0.7552 0.6188 0.5405 -0.0114 -0.0424 0.1341 113 SER H O 2104 C CB . SER A 137 ? 0.5013 0.4020 0.3298 0.0203 -0.0453 0.1173 113 SER H CB 2105 O OG . SER A 137 ? 0.5281 0.4585 0.3783 0.0288 -0.0465 0.1107 113 SER H OG 2111 N N . ALA A 138 ? 0.9489 0.8519 0.4248 -0.3510 -0.2039 0.1104 114 ALA H N 2112 C CA . ALA A 138 ? 0.8940 0.8221 0.3935 -0.3215 -0.1911 0.1226 114 ALA H CA 2113 C C . ALA A 138 ? 0.9333 0.8313 0.3916 -0.3029 -0.1783 0.1098 114 ALA H C 2114 O O . ALA A 138 ? 0.9505 0.8009 0.3705 -0.3022 -0.1716 0.0882 114 ALA H O 2115 C CB . ALA A 138 ? 0.8155 0.7428 0.3488 -0.3100 -0.1767 0.1278 114 ALA H CB 2121 N N . SER A 139 ? 0.9481 0.8730 0.4117 -0.2873 -0.1747 0.1236 115 SER H N 2122 C CA . SER A 139 ? 0.9805 0.8851 0.4085 -0.2712 -0.1572 0.1154 115 SER H CA 2123 C C . SER A 139 ? 0.9105 0.8146 0.3651 -0.2529 -0.1348 0.1194 115 SER H C 2124 O O . SER A 139 ? 0.8393 0.7643 0.3402 -0.2489 -0.1352 0.1336 115 SER H O 2125 C CB . SER A 139 ? 1.0530 0.9798 0.4661 -0.2663 -0.1635 0.1306 115 SER H CB 2126 O OG . SER A 139 ? 1.1424 1.0804 0.5407 -0.2833 -0.1889 0.1305 115 SER H OG 2132 N N . THR A 140 ? 0.9750 0.8582 0.4002 -0.2424 -0.1147 0.1057 116 THR H N 2133 C CA . THR A 140 ? 0.9741 0.8609 0.4234 -0.2282 -0.0934 0.1087 116 THR H CA 2134 C C . THR A 140 ? 0.9314 0.8468 0.4149 -0.2207 -0.0891 0.1354 116 THR H C 2135 O O . THR A 140 ? 0.8939 0.8167 0.3583 -0.2201 -0.0902 0.1468 116 THR H O 2136 C CB . THR A 140 ? 0.8996 0.7696 0.3101 -0.2208 -0.0703 0.0888 116 THR H CB 2137 O OG1 . THR A 140 ? 0.8683 0.7522 0.3062 -0.2120 -0.0493 0.0961 116 THR H OG1 2138 C CG2 . THR A 140 ? 0.9883 0.8601 0.3553 -0.2237 -0.0646 0.0878 116 THR H CG2 2146 N N . LYS A 141 ? 0.8631 0.7884 0.3926 -0.2134 -0.0850 0.1447 117 LYS H N 2147 C CA . LYS A 141 ? 0.8194 0.7642 0.3827 -0.2036 -0.0835 0.1683 117 LYS H CA 2148 C C . LYS A 141 ? 0.7566 0.7004 0.3574 -0.1938 -0.0678 0.1701 117 LYS H C 2149 O O . LYS A 141 ? 0.7121 0.6489 0.3255 -0.1948 -0.0676 0.1581 117 LYS H O 2150 C CB . LYS A 141 ? 0.8432 0.8114 0.4290 -0.2069 -0.1075 0.1818 117 LYS H CB 2151 C CG . LYS A 141 ? 0.8756 0.8612 0.4970 -0.1921 -0.1082 0.2048 117 LYS H CG 2152 C CD . LYS A 141 ? 0.8802 0.8992 0.5271 -0.1955 -0.1321 0.2169 117 LYS H CD 2153 C CE . LYS A 141 ? 0.8511 0.8859 0.5314 -0.1762 -0.1336 0.2394 117 LYS H CE 2154 N NZ . LYS A 141 ? 0.7857 0.8084 0.4962 -0.1664 -0.1143 0.2369 117 LYS H NZ 2168 N N . GLY A 142 ? 0.7569 0.7023 0.3708 -0.1848 -0.0555 0.1851 118 GLY H N 2169 C CA . GLY A 142 ? 0.7140 0.6562 0.3624 -0.1773 -0.0409 0.1867 118 GLY H CA 2170 C C . GLY A 142 ? 0.6924 0.6445 0.3810 -0.1673 -0.0514 0.1983 118 GLY H C 2171 O O . GLY A 142 ? 0.6578 0.6237 0.3496 -0.1643 -0.0677 0.2118 118 GLY H O 2175 N N . PRO A 143 ? 0.7437 0.6911 0.4612 -0.1623 -0.0422 0.1929 119 PRO H N 2176 C CA . PRO A 143 ? 0.7426 0.6987 0.4953 -0.1531 -0.0486 0.2005 119 PRO H CA 2177 C C . PRO A 143 ? 0.7450 0.6955 0.5113 -0.1399 -0.0447 0.2196 119 PRO H C 2178 O O . PRO A 143 ? 0.6679 0.5998 0.4201 -0.1394 -0.0325 0.2248 119 PRO H O 2179 C CB . PRO A 143 ? 0.7207 0.6656 0.4879 -0.1531 -0.0386 0.1857 119 PRO H CB 2180 C CG . PRO A 143 ? 0.7150 0.6481 0.4669 -0.1587 -0.0226 0.1789 119 PRO H CG 2181 C CD . PRO A 143 ? 0.7439 0.6800 0.4598 -0.1666 -0.0249 0.1791 119 PRO H CD 2189 N N . SER A 144 ? 0.8107 0.7755 0.6013 -0.1305 -0.0545 0.2312 120 SER H N 2190 C CA . SER A 144 ? 0.8335 0.7851 0.6371 -0.1143 -0.0512 0.2487 120 SER H CA 2191 C C . SER A 144 ? 0.8169 0.7605 0.6475 -0.1096 -0.0408 0.2411 120 SER H C 2192 O O . SER A 144 ? 0.8236 0.7879 0.6708 -0.1121 -0.0456 0.2358 120 SER H O 2193 C CB . SER A 144 ? 0.8225 0.8004 0.6346 -0.1030 -0.0716 0.2704 120 SER H CB 2194 O OG . SER A 144 ? 0.8485 0.8347 0.6326 -0.1082 -0.0847 0.2761 120 SER H OG 2200 N N . VAL A 145 ? 0.7775 0.6886 0.6086 -0.1057 -0.0262 0.2409 121 VAL H N 2201 C CA . VAL A 145 ? 0.7183 0.6167 0.5698 -0.1036 -0.0169 0.2315 121 VAL H CA 2202 C C . VAL A 145 ? 0.7315 0.6127 0.5967 -0.0858 -0.0172 0.2489 121 VAL H C 2203 O O . VAL A 145 ? 0.7082 0.5574 0.5611 -0.0787 -0.0139 0.2611 121 VAL H O 2204 C CB . VAL A 145 ? 0.6922 0.5681 0.5389 -0.1159 -0.0016 0.2169 121 VAL H CB 2205 C CG1 . VAL A 145 ? 0.6773 0.5391 0.5422 -0.1155 0.0038 0.2066 121 VAL H CG1 2206 C CG2 . VAL A 145 ? 0.6350 0.5285 0.4685 -0.1297 -0.0018 0.2024 121 VAL H CG2 2216 N N . PHE A 146 ? 0.7469 0.6470 0.6357 -0.0766 -0.0198 0.2475 122 PHE H N 2217 C CA . PHE A 146 ? 0.7570 0.6464 0.6654 -0.0517 -0.0171 0.2526 122 PHE H CA 2218 C C . PHE A 146 ? 0.6813 0.5503 0.5995 -0.0504 -0.0037 0.2308 122 PHE H C 2219 O O . PHE A 146 ? 0.6491 0.5286 0.5656 -0.0646 -0.0012 0.2134 122 PHE H O 2220 C CB . PHE A 146 ? 0.7731 0.7135 0.7066 -0.0361 -0.0278 0.2600 122 PHE H CB 2221 C CG . PHE A 146 ? 0.8016 0.7663 0.7263 -0.0356 -0.0461 0.2807 122 PHE H CG 2222 C CD1 . PHE A 146 ? 0.8263 0.7747 0.7468 -0.0123 -0.0555 0.3021 122 PHE H CD1 2223 C CD2 . PHE A 146 ? 0.7955 0.7934 0.7103 -0.0577 -0.0559 0.2784 122 PHE H CD2 2224 C CE1 . PHE A 146 ? 0.8440 0.8138 0.7509 -0.0107 -0.0760 0.3217 122 PHE H CE1 2225 C CE2 . PHE A 146 ? 0.8053 0.8248 0.7073 -0.0586 -0.0750 0.2957 122 PHE H CE2 2226 C CZ . PHE A 146 ? 0.8250 0.8331 0.7232 -0.0350 -0.0858 0.3178 122 PHE H CZ 2236 N N . PRO A 147 ? 0.6873 0.5213 0.6105 -0.0321 0.0031 0.2313 123 PRO H N 2237 C CA . PRO A 147 ? 0.6763 0.4866 0.6028 -0.0317 0.0143 0.2089 123 PRO H CA 2238 C C . PRO A 147 ? 0.6859 0.5238 0.6313 -0.0134 0.0186 0.1995 123 PRO H C 2239 O O . PRO A 147 ? 0.7224 0.5852 0.6859 0.0087 0.0160 0.2108 123 PRO H O 2240 C CB . PRO A 147 ? 0.7016 0.4523 0.6174 -0.0237 0.0198 0.2136 123 PRO H CB 2241 C CG . PRO A 147 ? 0.7436 0.4914 0.6565 -0.0045 0.0108 0.2407 123 PRO H CG 2242 C CD . PRO A 147 ? 0.7271 0.5356 0.6481 -0.0089 -0.0011 0.2513 123 PRO H CD 2250 N N . LEU A 148 ? 0.6468 0.4829 0.5873 -0.0223 0.0251 0.1784 124 LEU H N 2251 C CA . LEU A 148 ? 0.6533 0.5083 0.6031 -0.0086 0.0342 0.1672 124 LEU H CA 2252 C C . LEU A 148 ? 0.7057 0.5122 0.6455 0.0031 0.0440 0.1503 124 LEU H C 2253 O O . LEU A 148 ? 0.7207 0.5062 0.6427 -0.0098 0.0455 0.1319 124 LEU H O 2254 C CB . LEU A 148 ? 0.6171 0.4977 0.5564 -0.0284 0.0335 0.1573 124 LEU H CB 2255 C CG . LEU A 148 ? 0.5791 0.4967 0.5209 -0.0447 0.0224 0.1708 124 LEU H CG 2256 C CD1 . LEU A 148 ? 0.5649 0.4894 0.4865 -0.0651 0.0207 0.1607 124 LEU H CD1 2257 C CD2 . LEU A 148 ? 0.5555 0.5211 0.5257 -0.0318 0.0209 0.1862 124 LEU H CD2 2269 N N . ALA A 149 ? 0.7580 0.5437 0.7067 0.0291 0.0482 0.1559 125 ALA H N 2270 C CA . ALA A 149 ? 0.7738 0.5024 0.7085 0.0411 0.0566 0.1397 125 ALA H CA 2271 C C . ALA A 149 ? 0.7594 0.4913 0.6818 0.0388 0.0664 0.1148 125 ALA H C 2272 O O . ALA A 149 ? 0.7241 0.5038 0.6548 0.0417 0.0728 0.1131 125 ALA H O 2273 C CB . ALA A 149 ? 0.7665 0.4785 0.7126 0.0776 0.0603 0.1479 125 ALA H CB 2279 N N . PRO A 150 ? 0.7702 0.4499 0.6694 0.0311 0.0676 0.0953 126 PRO H N 2280 C CA . PRO A 150 ? 0.7519 0.4281 0.6290 0.0263 0.0731 0.0714 126 PRO H CA 2281 C C . PRO A 150 ? 0.7380 0.4342 0.6164 0.0519 0.0905 0.0635 126 PRO H C 2282 O O . PRO A 150 ? 0.7471 0.4326 0.6387 0.0804 0.0990 0.0653 126 PRO H O 2283 C CB . PRO A 150 ? 0.7961 0.4085 0.6521 0.0185 0.0695 0.0525 126 PRO H CB 2284 C CG . PRO A 150 ? 0.8398 0.4147 0.7054 0.0284 0.0698 0.0658 126 PRO H CG 2285 C CD . PRO A 150 ? 0.8165 0.4340 0.7056 0.0269 0.0642 0.0943 126 PRO H CD 2293 N N . SER A 151 ? 0.7001 0.4247 0.5629 0.0422 0.0962 0.0549 127 SER H N 2294 C CA . SER A 151 ? 0.7752 0.5257 0.6360 0.0604 0.1174 0.0453 127 SER H CA 2295 C C . SER A 151 ? 0.8441 0.5717 0.6574 0.0478 0.1221 0.0239 127 SER H C 2296 O O . SER A 151 ? 0.8609 0.5795 0.6513 0.0233 0.1070 0.0240 127 SER H O 2297 C CB . SER A 151 ? 0.7539 0.5781 0.6451 0.0573 0.1230 0.0633 127 SER H CB 2298 O OG . SER A 151 ? 0.8054 0.6658 0.7017 0.0730 0.1472 0.0534 127 SER H OG 2304 N N . SER A 152 ? 0.9092 0.6260 0.7047 0.0671 0.1421 0.0051 128 SER H N 2305 C CA . SER A 152 ? 0.9547 0.6428 0.6953 0.0571 0.1467 -0.0161 128 SER H CA 2306 C C . SER A 152 ? 0.8898 0.6082 0.6091 0.0306 0.1437 -0.0057 128 SER H C 2307 O O . SER A 152 ? 0.8286 0.6011 0.5675 0.0273 0.1582 0.0077 128 SER H O 2308 C CB . SER A 152 ? 1.0722 0.7581 0.7977 0.0829 0.1752 -0.0363 128 SER H CB 2309 O OG . SER A 152 ? 1.1804 0.8302 0.8430 0.0731 0.1784 -0.0578 128 SER H OG 2315 N N . LYS A 153 ? 0.9269 0.6087 0.6056 0.0116 0.1234 -0.0123 129 LYS H N 2316 C CA . LYS A 153 ? 0.9797 0.6710 0.6246 -0.0109 0.1170 -0.0036 129 LYS H CA 2317 C C . LYS A 153 ? 1.1550 0.8198 0.7349 -0.0121 0.1298 -0.0206 129 LYS H C 2318 O O . LYS A 153 ? 1.2911 0.9841 0.8584 -0.0142 0.1562 -0.0174 129 LYS H O 2319 C CB . LYS A 153 ? 0.9229 0.5923 0.5625 -0.0260 0.0843 0.0000 129 LYS H CB 2320 C CG . LYS A 153 ? 0.9118 0.5763 0.5091 -0.0447 0.0729 0.0082 129 LYS H CG 2321 C CD . LYS A 153 ? 0.8891 0.5514 0.5033 -0.0535 0.0441 0.0158 129 LYS H CD 2322 C CE . LYS A 153 ? 0.9161 0.5608 0.4824 -0.0671 0.0292 0.0225 129 LYS H CE 2323 N NZ . LYS A 153 ? 0.9801 0.5792 0.4895 -0.0641 0.0105 0.0054 129 LYS H NZ 2337 N N . SER A 154 ? 1.1812 0.7945 0.7192 -0.0124 0.1114 -0.0395 130 SER H N 2338 C CA . SER A 154 ? 1.2921 0.8721 0.7597 -0.0120 0.1207 -0.0579 130 SER H CA 2339 C C . SER A 154 ? 1.3664 0.9438 0.8390 0.0108 0.1494 -0.0769 130 SER H C 2340 O O . SER A 154 ? 1.2637 0.8078 0.7454 0.0235 0.1410 -0.0945 130 SER H O 2341 C CB . SER A 154 ? 1.3531 0.8822 0.7767 -0.0180 0.0869 -0.0741 130 SER H CB 2342 O OG . SER A 154 ? 1.4580 0.9516 0.8026 -0.0188 0.0923 -0.0900 130 SER H OG 2348 N N . THR A 155 ? 1.5434 1.1562 1.0108 0.0153 0.1840 -0.0743 131 THR H N 2349 C CA . THR A 155 ? 1.6190 1.2350 1.0892 0.0415 0.2154 -0.0948 131 THR H CA 2350 C C . THR A 155 ? 1.5737 1.1199 1.0012 0.0521 0.2020 -0.1242 131 THR H C 2351 O O . THR A 155 ? 1.4452 0.9709 0.9038 0.0727 0.2012 -0.1360 131 THR H O 2352 C CB . THR A 155 ? 1.6900 1.3359 1.1214 0.0366 0.2524 -0.0978 131 THR H CB 2353 O OG1 . THR A 155 ? 1.7458 1.3519 1.0951 0.0115 0.2405 -0.0976 131 THR H OG1 2354 C CG2 . THR A 155 ? 1.6101 1.3355 1.0986 0.0279 0.2712 -0.0732 131 THR H CG2 2362 N N . SER A 156 ? 1.6397 1.1450 0.9912 0.0368 0.1897 -0.1357 132 SER H N 2363 C CA . SER A 156 ? 1.6777 1.1184 0.9879 0.0384 0.1653 -0.1621 132 SER H CA 2364 C C . SER A 156 ? 1.7416 1.1704 1.0531 0.0170 0.1217 -0.1512 132 SER H C 2365 O O . SER A 156 ? 1.7598 1.2248 1.1035 0.0054 0.1141 -0.1246 132 SER H O 2366 C CB . SER A 156 ? 1.6706 1.0744 0.8899 0.0394 0.1791 -0.1861 132 SER H CB 2367 O OG . SER A 156 ? 1.6534 1.0559 0.8154 0.0176 0.1694 -0.1720 132 SER H OG 2373 N N . GLY A 157 ? 1.7553 1.1367 1.0339 0.0124 0.0927 -0.1735 133 GLY H N 2374 C CA . GLY A 157 ? 1.6405 1.0197 0.9299 -0.0040 0.0507 -0.1675 133 GLY H CA 2375 C C . GLY A 157 ? 1.4527 0.8456 0.8206 -0.0060 0.0388 -0.1630 133 GLY H C 2376 O O . GLY A 157 ? 1.3491 0.7470 0.7384 -0.0190 0.0067 -0.1621 133 GLY H O 2380 N N . GLY A 158 ? 1.4000 0.8000 0.8097 0.0081 0.0653 -0.1600 134 GLY H N 2381 C CA . GLY A 158 ? 1.3288 0.7268 0.7995 0.0064 0.0575 -0.1564 134 GLY H CA 2382 C C . GLY A 158 ? 1.2069 0.6465 0.7298 -0.0077 0.0407 -0.1307 134 GLY H C 2383 O O . GLY A 158 ? 1.2201 0.6540 0.7676 -0.0224 0.0175 -0.1355 134 GLY H O 2387 N N . THR A 159 ? 1.0977 0.5811 0.6377 -0.0049 0.0535 -0.1052 135 THR H N 2388 C CA . THR A 159 ? 1.0458 0.5667 0.6329 -0.0160 0.0409 -0.0815 135 THR H CA 2389 C C . THR A 159 ? 1.0048 0.5616 0.6374 -0.0056 0.0632 -0.0582 135 THR H C 2390 O O . THR A 159 ? 1.0512 0.6240 0.6763 0.0075 0.0878 -0.0550 135 THR H O 2391 C CB . THR A 159 ? 1.0740 0.6112 0.6337 -0.0272 0.0246 -0.0720 135 THR H CB 2392 O OG1 . THR A 159 ? 1.0884 0.6416 0.6226 -0.0238 0.0472 -0.0598 135 THR H OG1 2393 C CG2 . THR A 159 ? 1.1517 0.6555 0.6620 -0.0327 -0.0016 -0.0944 135 THR H CG2 2401 N N . ALA A 160 ? 0.9266 0.4996 0.6064 -0.0117 0.0543 -0.0430 136 ALA H N 2402 C CA . ALA A 160 ? 0.8770 0.4866 0.5988 -0.0034 0.0679 -0.0188 136 ALA H CA 2403 C C . ALA A 160 ? 0.8955 0.5395 0.6365 -0.0200 0.0533 0.0003 136 ALA H C 2404 O O . ALA A 160 ? 0.9000 0.5366 0.6289 -0.0340 0.0331 -0.0065 136 ALA H O 2405 C CB . ALA A 160 ? 0.8254 0.4121 0.5770 0.0069 0.0719 -0.0169 136 ALA H CB 2411 N N . ALA A 161 ? 0.8829 0.5658 0.6538 -0.0166 0.0623 0.0222 137 ALA H N 2412 C CA . ALA A 161 ? 0.8028 0.5146 0.5895 -0.0314 0.0497 0.0394 137 ALA H CA 2413 C C . ALA A 161 ? 0.7799 0.5107 0.6080 -0.0271 0.0515 0.0580 137 ALA H C 2414 O O . ALA A 161 ? 0.7830 0.5311 0.6305 -0.0112 0.0649 0.0672 137 ALA H O 2415 C CB . ALA A 161 ? 0.7571 0.4966 0.5264 -0.0385 0.0552 0.0486 137 ALA H CB 2421 N N . LEU A 162 ? 0.7590 0.4880 0.5995 -0.0400 0.0377 0.0628 138 LEU H N 2422 C CA . LEU A 162 ? 0.7405 0.4842 0.6097 -0.0398 0.0377 0.0825 138 LEU H CA 2423 C C . LEU A 162 ? 0.6807 0.4489 0.5528 -0.0566 0.0257 0.0910 138 LEU H C 2424 O O . LEU A 162 ? 0.6118 0.3788 0.4664 -0.0657 0.0160 0.0797 138 LEU H O 2425 C CB . LEU A 162 ? 0.7754 0.4810 0.6519 -0.0396 0.0382 0.0790 138 LEU H CB 2426 C CG . LEU A 162 ? 0.8061 0.4889 0.6753 -0.0576 0.0284 0.0600 138 LEU H CG 2427 C CD1 . LEU A 162 ? 0.7988 0.5061 0.6821 -0.0758 0.0196 0.0670 138 LEU H CD1 2428 C CD2 . LEU A 162 ? 0.8561 0.4905 0.7237 -0.0575 0.0333 0.0510 138 LEU H CD2 2440 N N . GLY A 163 ? 0.7127 0.5000 0.6026 -0.0582 0.0251 0.1101 139 GLY H N 2441 C CA . GLY A 163 ? 0.7383 0.5465 0.6272 -0.0727 0.0153 0.1165 139 GLY H CA 2442 C C . GLY A 163 ? 0.7622 0.5865 0.6644 -0.0741 0.0149 0.1374 139 GLY H C 2443 O O . GLY A 163 ? 0.7771 0.5920 0.6895 -0.0628 0.0202 0.1490 139 GLY H O 2447 N N . CYS A 164 ? 0.7519 0.5953 0.6485 -0.0863 0.0072 0.1418 140 CYS H N 2448 C CA . CYS A 164 ? 0.7209 0.5799 0.6210 -0.0899 0.0046 0.1608 140 CYS H CA 2449 C C . CYS A 164 ? 0.6879 0.5782 0.5832 -0.0947 -0.0028 0.1685 140 CYS H C 2450 O O . CYS A 164 ? 0.6950 0.5867 0.5761 -0.1030 -0.0073 0.1577 140 CYS H O 2451 C CB . CYS A 164 ? 0.6939 0.5464 0.5880 -0.1037 0.0040 0.1567 140 CYS H CB 2452 S SG . CYS A 164 ? 1.1498 0.9701 1.0503 -0.1075 0.0145 0.1586 140 CYS H SG 2457 N N . LEU A 165 ? 0.6466 0.5588 0.5513 -0.0898 -0.0060 0.1872 141 LEU H N 2458 C CA . LEU A 165 ? 0.5905 0.5368 0.4930 -0.0990 -0.0153 0.1947 141 LEU H CA 2459 C C . LEU A 165 ? 0.5848 0.5329 0.4707 -0.1098 -0.0241 0.2030 141 LEU H C 2460 O O . LEU A 165 ? 0.5329 0.4816 0.4201 -0.1033 -0.0266 0.2188 141 LEU H O 2461 C CB . LEU A 165 ? 0.5786 0.5604 0.5073 -0.0856 -0.0157 0.2074 141 LEU H CB 2462 C CG . LEU A 165 ? 0.6104 0.6375 0.5444 -0.0989 -0.0263 0.2143 141 LEU H CG 2463 C CD1 . LEU A 165 ? 0.5768 0.5993 0.4922 -0.1200 -0.0243 0.2006 141 LEU H CD1 2464 C CD2 . LEU A 165 ? 0.6675 0.7420 0.6388 -0.0824 -0.0259 0.2238 141 LEU H CD2 2476 N N . VAL A 166 ? 0.6233 0.5671 0.4888 -0.1240 -0.0287 0.1903 142 VAL H N 2477 C CA . VAL A 166 ? 0.6128 0.5586 0.4614 -0.1305 -0.0341 0.1874 142 VAL H CA 2478 C C . VAL A 166 ? 0.6046 0.5744 0.4454 -0.1413 -0.0472 0.1906 142 VAL H C 2479 O O . VAL A 166 ? 0.6457 0.6103 0.4742 -0.1520 -0.0513 0.1790 142 VAL H O 2480 C CB . VAL A 166 ? 0.6004 0.5248 0.4311 -0.1370 -0.0312 0.1693 142 VAL H CB 2481 C CG1 . VAL A 166 ? 0.6179 0.5451 0.4269 -0.1446 -0.0336 0.1675 142 VAL H CG1 2482 C CG2 . VAL A 166 ? 0.5871 0.4932 0.4285 -0.1332 -0.0203 0.1658 142 VAL H CG2 2492 N N . LYS A 167 ? 0.6091 0.6019 0.4535 -0.1403 -0.0557 0.2073 143 LYS H N 2493 C CA . LYS A 167 ? 0.6955 0.7194 0.5369 -0.1547 -0.0711 0.2137 143 LYS H CA 2494 C C . LYS A 167 ? 0.6790 0.7070 0.4965 -0.1624 -0.0831 0.2153 143 LYS H C 2495 O O . LYS A 167 ? 0.6497 0.6670 0.4582 -0.1523 -0.0802 0.2211 143 LYS H O 2496 C CB . LYS A 167 ? 0.7633 0.8287 0.6362 -0.1483 -0.0763 0.2357 143 LYS H CB 2497 C CG . LYS A 167 ? 0.7930 0.8598 0.6797 -0.1240 -0.0770 0.2533 143 LYS H CG 2498 C CD . LYS A 167 ? 0.8160 0.9295 0.7461 -0.1065 -0.0815 0.2627 143 LYS H CD 2499 C CE . LYS A 167 ? 0.8381 1.0081 0.7798 -0.1202 -0.1011 0.2678 143 LYS H CE 2500 N NZ . LYS A 167 ? 0.8304 1.0573 0.8210 -0.0975 -0.1081 0.2779 143 LYS H NZ 2514 N N . ASP A 168 ? 0.6944 0.7334 0.4965 -0.1828 -0.0959 0.2096 144 ASP H N 2515 C CA . ASP A 168 ? 0.7240 0.7702 0.5007 -0.1938 -0.1105 0.2107 144 ASP H CA 2516 C C . ASP A 168 ? 0.7366 0.7477 0.4807 -0.1899 -0.1016 0.1973 144 ASP H C 2517 O O . ASP A 168 ? 0.7949 0.8047 0.5300 -0.1804 -0.0994 0.2061 144 ASP H O 2518 C CB . ASP A 168 ? 0.7590 0.8429 0.5514 -0.1847 -0.1243 0.2343 144 ASP H CB 2519 C CG . ASP A 168 ? 0.8328 0.9696 0.6587 -0.1908 -0.1371 0.2502 144 ASP H CG 2520 O OD1 . ASP A 168 ? 0.8050 0.9507 0.6305 -0.2137 -0.1385 0.2416 144 ASP H OD1 2521 O OD2 . ASP A 168 ? 0.9310 1.1015 0.7833 -0.1718 -0.1457 0.2710 144 ASP H OD2 2526 N N . TYR A 169 ? 0.6998 0.6819 0.4223 -0.1976 -0.0964 0.1777 145 TYR H N 2527 C CA . TYR A 169 ? 0.7149 0.6713 0.4032 -0.1964 -0.0885 0.1651 145 TYR H CA 2528 C C . TYR A 169 ? 0.7366 0.6680 0.3874 -0.2116 -0.0973 0.1473 145 TYR H C 2529 O O . TYR A 169 ? 0.6654 0.5888 0.3179 -0.2227 -0.1055 0.1431 145 TYR H O 2530 C CB . TYR A 169 ? 0.6777 0.6182 0.3753 -0.1837 -0.0700 0.1594 145 TYR H CB 2531 C CG . TYR A 169 ? 0.6653 0.5875 0.3685 -0.1831 -0.0693 0.1480 145 TYR H CG 2532 C CD1 . TYR A 169 ? 0.6506 0.5414 0.3175 -0.1872 -0.0713 0.1306 145 TYR H CD1 2533 C CD2 . TYR A 169 ? 0.6729 0.6043 0.4106 -0.1767 -0.0671 0.1545 145 TYR H CD2 2534 C CE1 . TYR A 169 ? 0.6493 0.5144 0.3127 -0.1843 -0.0738 0.1218 145 TYR H CE1 2535 C CE2 . TYR A 169 ? 0.6735 0.5837 0.4097 -0.1759 -0.0667 0.1445 145 TYR H CE2 2536 C CZ . TYR A 169 ? 0.6812 0.5566 0.3798 -0.1797 -0.0712 0.1292 145 TYR H CZ 2537 O OH . TYR A 169 ? 0.6890 0.5348 0.3779 -0.1767 -0.0739 0.1207 145 TYR H OH 2547 N N . PHE A 170 ? 0.7758 0.6903 0.3877 -0.2129 -0.0942 0.1365 146 PHE H N 2548 C CA . PHE A 170 ? 0.7677 0.6486 0.3362 -0.2236 -0.1020 0.1168 146 PHE H CA 2549 C C . PHE A 170 ? 0.7845 0.6482 0.3131 -0.2158 -0.0897 0.1018 146 PHE H C 2550 O O . PHE A 170 ? 0.7904 0.6733 0.3162 -0.2126 -0.0802 0.1101 146 PHE H O 2551 C CB . PHE A 170 ? 0.7866 0.6756 0.3434 -0.2436 -0.1211 0.1197 146 PHE H CB 2552 C CG . PHE A 170 ? 0.8441 0.6895 0.3566 -0.2573 -0.1303 0.0993 146 PHE H CG 2553 C CD1 . PHE A 170 ? 0.8840 0.7021 0.3951 -0.2693 -0.1371 0.0944 146 PHE H CD1 2554 C CD2 . PHE A 170 ? 0.8567 0.6827 0.3246 -0.2583 -0.1312 0.0849 146 PHE H CD2 2555 C CE1 . PHE A 170 ? 0.9499 0.7159 0.4157 -0.2814 -0.1455 0.0765 146 PHE H CE1 2556 C CE2 . PHE A 170 ? 0.9407 0.7190 0.3662 -0.2680 -0.1394 0.0646 146 PHE H CE2 2557 C CZ . PHE A 170 ? 0.9752 0.7206 0.4000 -0.2792 -0.1469 0.0609 146 PHE H CZ 2567 N N . PRO A 171 ? 0.8272 0.6529 0.3216 -0.2115 -0.0889 0.0789 147 PRO H N 2568 C CA . PRO A 171 ? 0.8517 0.6424 0.3429 -0.2122 -0.0995 0.0696 147 PRO H CA 2569 C C . PRO A 171 ? 0.8911 0.6841 0.4137 -0.1942 -0.0891 0.0690 147 PRO H C 2570 O O . PRO A 171 ? 0.9224 0.7492 0.4785 -0.1853 -0.0738 0.0776 147 PRO H O 2571 C CB . PRO A 171 ? 0.8896 0.6328 0.3262 -0.2078 -0.1037 0.0414 147 PRO H CB 2572 C CG . PRO A 171 ? 0.9145 0.6758 0.3368 -0.1943 -0.0855 0.0305 147 PRO H CG 2573 C CD . PRO A 171 ? 0.8904 0.7010 0.3400 -0.2035 -0.0774 0.0573 147 PRO H CD 2581 N N . GLU A 172 ? 0.9017 0.6575 0.4188 -0.1878 -0.0967 0.0579 148 GLU H N 2582 C CA . GLU A 172 ? 0.9069 0.6638 0.4570 -0.1657 -0.0890 0.0517 148 GLU H CA 2583 C C . GLU A 172 ? 0.8847 0.6452 0.4348 -0.1414 -0.0777 0.0268 148 GLU H C 2584 O O . GLU A 172 ? 0.9689 0.7172 0.4840 -0.1402 -0.0768 0.0116 148 GLU H O 2585 C CB . GLU A 172 ? 1.0189 0.7282 0.5516 -0.1656 -0.1028 0.0481 148 GLU H CB 2586 C CG . GLU A 172 ? 1.0944 0.8111 0.6363 -0.1904 -0.1083 0.0710 148 GLU H CG 2587 C CD . GLU A 172 ? 1.2081 0.8841 0.7383 -0.1890 -0.1148 0.0704 148 GLU H CD 2588 O OE1 . GLU A 172 ? 1.3472 0.9784 0.8377 -0.2076 -0.1260 0.0697 148 GLU H OE1 2589 O OE2 . GLU A 172 ? 1.1558 0.8418 0.7139 -0.1712 -0.1086 0.0706 148 GLU H OE2 2596 N N . PRO A 173 ? 0.8188 0.5999 0.4093 -0.1224 -0.0689 0.0204 149 PRO H N 2597 C CA . PRO A 173 ? 0.7926 0.5854 0.4200 -0.1227 -0.0693 0.0351 149 PRO H CA 2598 C C . PRO A 173 ? 0.7726 0.6138 0.4436 -0.1265 -0.0516 0.0475 149 PRO H C 2599 O O . PRO A 173 ? 0.7537 0.6207 0.4284 -0.1276 -0.0370 0.0432 149 PRO H O 2600 C CB . PRO A 173 ? 0.8140 0.5867 0.4464 -0.0965 -0.0765 0.0131 149 PRO H CB 2601 C CG . PRO A 173 ? 0.8656 0.6571 0.5000 -0.0789 -0.0668 -0.0118 149 PRO H CG 2602 C CD . PRO A 173 ? 0.8579 0.6455 0.4560 -0.0956 -0.0618 -0.0084 149 PRO H CD 2610 N N . VAL A 174 ? 0.8207 0.6687 0.5194 -0.1294 -0.0518 0.0623 150 VAL H N 2611 C CA . VAL A 174 ? 0.8461 0.7262 0.5835 -0.1312 -0.0369 0.0720 150 VAL H CA 2612 C C . VAL A 174 ? 0.8562 0.7384 0.6228 -0.1168 -0.0373 0.0574 150 VAL H C 2613 O O . VAL A 174 ? 0.9174 0.7743 0.6753 -0.1092 -0.0506 0.0537 150 VAL H O 2614 C CB . VAL A 174 ? 0.8642 0.7501 0.6105 -0.1435 -0.0372 0.0995 150 VAL H CB 2615 C CG1 . VAL A 174 ? 0.8847 0.7831 0.6678 -0.1401 -0.0265 0.1054 150 VAL H CG1 2616 C CG2 . VAL A 174 ? 0.8599 0.7574 0.5874 -0.1563 -0.0356 0.1155 150 VAL H CG2 2626 N N . THR A 175 ? 0.8038 0.7158 0.6018 -0.1154 -0.0233 0.0491 151 THR H N 2627 C CA . THR A 175 ? 0.7868 0.7083 0.6174 -0.1050 -0.0253 0.0344 151 THR H CA 2628 C C . THR A 175 ? 0.7145 0.6413 0.5693 -0.1169 -0.0163 0.0506 151 THR H C 2629 O O . THR A 175 ? 0.7162 0.6513 0.5732 -0.1312 -0.0024 0.0674 151 THR H O 2630 C CB . THR A 175 ? 0.8872 0.8453 0.7441 -0.0968 -0.0164 0.0088 151 THR H CB 2631 O OG1 . THR A 175 ? 0.9568 0.9432 0.8257 -0.1157 0.0069 0.0170 151 THR H OG1 2632 C CG2 . THR A 175 ? 0.9349 0.8840 0.7669 -0.0784 -0.0254 -0.0110 151 THR H CG2 2640 N N . VAL A 176 ? 0.6736 0.5889 0.5401 -0.1097 -0.0254 0.0455 152 VAL H N 2641 C CA . VAL A 176 ? 0.6780 0.5903 0.5635 -0.1179 -0.0181 0.0564 152 VAL H CA 2642 C C . VAL A 176 ? 0.6711 0.5922 0.5832 -0.1128 -0.0229 0.0354 152 VAL H C 2643 O O . VAL A 176 ? 0.7059 0.6212 0.6120 -0.0975 -0.0395 0.0188 152 VAL H O 2644 C CB . VAL A 176 ? 0.6700 0.5562 0.5370 -0.1164 -0.0238 0.0741 152 VAL H CB 2645 C CG1 . VAL A 176 ? 0.6129 0.4916 0.4977 -0.1196 -0.0159 0.0815 152 VAL H CG1 2646 C CG2 . VAL A 176 ? 0.7023 0.5885 0.5494 -0.1232 -0.0222 0.0940 152 VAL H CG2 2656 N N . SER A 177 ? 0.6223 0.5537 0.5602 -0.1267 -0.0101 0.0363 153 SER H N 2657 C CA . SER A 177 ? 0.5947 0.5356 0.5597 -0.1275 -0.0153 0.0162 153 SER H CA 2658 C C . SER A 177 ? 0.5990 0.5165 0.5690 -0.1415 -0.0051 0.0283 153 SER H C 2659 O O . SER A 177 ? 0.5861 0.4857 0.5430 -0.1485 0.0068 0.0517 153 SER H O 2660 C CB . SER A 177 ? 0.5577 0.5463 0.5581 -0.1342 -0.0090 -0.0053 153 SER H CB 2661 O OG . SER A 177 ? 0.5438 0.5439 0.5555 -0.1588 0.0148 0.0059 153 SER H OG 2667 N N . TRP A 178 ? 0.5907 0.5054 0.5768 -0.1438 -0.0120 0.0113 154 TRP H N 2668 C CA . TRP A 178 ? 0.5565 0.4395 0.5426 -0.1557 -0.0038 0.0184 154 TRP H CA 2669 C C . TRP A 178 ? 0.5612 0.4620 0.5802 -0.1789 0.0021 0.0009 154 TRP H C 2670 O O . TRP A 178 ? 0.5794 0.5153 0.6235 -0.1784 -0.0101 -0.0249 154 TRP H O 2671 C CB . TRP A 178 ? 0.5564 0.4076 0.5212 -0.1400 -0.0165 0.0144 154 TRP H CB 2672 C CG . TRP A 178 ? 0.6059 0.4408 0.5416 -0.1249 -0.0165 0.0341 154 TRP H CG 2673 C CD1 . TRP A 178 ? 0.6329 0.4744 0.5500 -0.1121 -0.0277 0.0339 154 TRP H CD1 2674 C CD2 . TRP A 178 ? 0.6456 0.4565 0.5693 -0.1220 -0.0051 0.0563 154 TRP H CD2 2675 N NE1 . TRP A 178 ? 0.6522 0.4800 0.5489 -0.1069 -0.0226 0.0541 154 TRP H NE1 2676 C CE2 . TRP A 178 ? 0.6721 0.4868 0.5763 -0.1104 -0.0093 0.0674 154 TRP H CE2 2677 C CE3 . TRP A 178 ? 0.6261 0.4112 0.5532 -0.1270 0.0071 0.0673 154 TRP H CE3 2678 C CZ2 . TRP A 178 ? 0.6865 0.4935 0.5833 -0.1037 -0.0016 0.0873 154 TRP H CZ2 2679 C CZ3 . TRP A 178 ? 0.6307 0.4013 0.5466 -0.1146 0.0131 0.0877 154 TRP H CZ3 2680 C CH2 . TRP A 178 ? 0.6616 0.4498 0.5667 -0.1030 0.0088 0.0967 154 TRP H CH2 2691 N N . ASN A 179 ? 0.5580 0.4338 0.5760 -0.1998 0.0197 0.0153 155 ASN H N 2692 C CA . ASN A 179 ? 0.5960 0.4838 0.6418 -0.2307 0.0297 0.0021 155 ASN H CA 2693 C C . ASN A 179 ? 0.5655 0.5232 0.6484 -0.2394 0.0317 -0.0176 155 ASN H C 2694 O O . ASN A 179 ? 0.5644 0.5578 0.6839 -0.2537 0.0264 -0.0440 155 ASN H O 2695 C CB . ASN A 179 ? 0.6530 0.5179 0.7043 -0.2351 0.0170 -0.0181 155 ASN H CB 2696 C CG . ASN A 179 ? 0.7168 0.5135 0.7318 -0.2232 0.0178 -0.0025 155 ASN H CG 2697 O OD1 . ASN A 179 ? 0.6966 0.4642 0.6893 -0.2165 0.0294 0.0248 155 ASN H OD1 2698 N ND2 . ASN A 179 ? 0.7815 0.5545 0.7900 -0.2187 0.0048 -0.0213 155 ASN H ND2 2705 N N . SER A 180 ? 0.5476 0.5274 0.6217 -0.2293 0.0385 -0.0068 156 SER H N 2706 C CA . SER A 180 ? 0.5621 0.6076 0.6679 -0.2339 0.0453 -0.0249 156 SER H CA 2707 C C . SER A 180 ? 0.5913 0.6781 0.7249 -0.2108 0.0205 -0.0563 156 SER H C 2708 O O . SER A 180 ? 0.5897 0.7400 0.7676 -0.2165 0.0222 -0.0814 156 SER H O 2709 C CB . SER A 180 ? 0.5351 0.6056 0.6697 -0.2744 0.0692 -0.0297 156 SER H CB 2710 O OG . SER A 180 ? 0.5691 0.5851 0.6682 -0.2945 0.0884 0.0018 156 SER H OG 2716 N N . GLY A 181 ? 0.6400 0.6920 0.7467 -0.1840 -0.0026 -0.0547 157 GLY H N 2717 C CA . GLY A 181 ? 0.6281 0.7038 0.7462 -0.1581 -0.0301 -0.0799 157 GLY H CA 2718 C C . GLY A 181 ? 0.6122 0.6936 0.7522 -0.1653 -0.0468 -0.1012 157 GLY H C 2719 O O . GLY A 181 ? 0.5892 0.6852 0.7336 -0.1427 -0.0743 -0.1215 157 GLY H O 2723 N N . ALA A 182 ? 0.6259 0.6903 0.7747 -0.1966 -0.0324 -0.0970 158 ALA H N 2724 C CA . ALA A 182 ? 0.6469 0.7091 0.8114 -0.2084 -0.0481 -0.1182 158 ALA H CA 2725 C C . ALA A 182 ? 0.6997 0.7057 0.8173 -0.1844 -0.0691 -0.1147 158 ALA H C 2726 O O . ALA A 182 ? 0.7330 0.7427 0.8533 -0.1788 -0.0933 -0.1369 158 ALA H O 2727 C CB . ALA A 182 ? 0.6338 0.6741 0.8074 -0.2491 -0.0261 -0.1120 158 ALA H CB 2733 N N . LEU A 183 ? 0.7082 0.6657 0.7823 -0.1714 -0.0592 -0.0873 159 LEU H N 2734 C CA . LEU A 183 ? 0.7141 0.6218 0.7418 -0.1507 -0.0723 -0.0817 159 LEU H CA 2735 C C . LEU A 183 ? 0.7042 0.6146 0.7066 -0.1219 -0.0864 -0.0769 159 LEU H C 2736 O O . LEU A 183 ? 0.6884 0.5986 0.6813 -0.1170 -0.0744 -0.0578 159 LEU H O 2737 C CB . LEU A 183 ? 0.6961 0.5516 0.6957 -0.1558 -0.0516 -0.0562 159 LEU H CB 2738 C CG . LEU A 183 ? 0.6746 0.4850 0.6291 -0.1363 -0.0580 -0.0504 159 LEU H CG 2739 C CD1 . LEU A 183 ? 0.7068 0.4996 0.6511 -0.1376 -0.0747 -0.0752 159 LEU H CD1 2740 C CD2 . LEU A 183 ? 0.6578 0.4310 0.5955 -0.1363 -0.0364 -0.0258 159 LEU H CD2 2752 N N . THR A 184 ? 0.7264 0.6343 0.7131 -0.1040 -0.1135 -0.0942 160 THR H N 2753 C CA . THR A 184 ? 0.7490 0.6456 0.7019 -0.0772 -0.1300 -0.0901 160 THR H CA 2754 C C . THR A 184 ? 0.7854 0.6276 0.6800 -0.0661 -0.1402 -0.0837 160 THR H C 2755 O O . THR A 184 ? 0.7589 0.5713 0.6136 -0.0564 -0.1369 -0.0657 160 THR H O 2756 C CB . THR A 184 ? 0.7310 0.6701 0.7086 -0.0596 -0.1569 -0.1155 160 THR H CB 2757 O OG1 . THR A 184 ? 0.8166 0.7785 0.8206 -0.0676 -0.1732 -0.1403 160 THR H OG1 2758 C CG2 . THR A 184 ? 0.6147 0.6070 0.6381 -0.0628 -0.1434 -0.1189 160 THR H CG2 2766 N N . SER A 185 ? 0.8350 0.6650 0.7229 -0.0702 -0.1517 -0.0998 161 SER H N 2767 C CA . SER A 185 ? 0.8952 0.6750 0.7236 -0.0607 -0.1602 -0.0976 161 SER H CA 2768 C C . SER A 185 ? 0.8600 0.6053 0.6581 -0.0643 -0.1329 -0.0719 161 SER H C 2769 O O . SER A 185 ? 0.8797 0.6260 0.7004 -0.0775 -0.1093 -0.0628 161 SER H O 2770 C CB . SER A 185 ? 0.9891 0.7605 0.8177 -0.0702 -0.1704 -0.1198 161 SER H CB 2771 O OG . SER A 185 ? 1.0617 0.7825 0.8275 -0.0625 -0.1733 -0.1178 161 SER H OG 2777 N N . GLY A 186 ? 0.8355 0.5502 0.5817 -0.0524 -0.1372 -0.0603 162 GLY H N 2778 C CA . GLY A 186 ? 0.8363 0.5269 0.5550 -0.0563 -0.1127 -0.0390 162 GLY H CA 2779 C C . GLY A 186 ? 0.7981 0.5097 0.5432 -0.0624 -0.0939 -0.0178 162 GLY H C 2780 O O . GLY A 186 ? 0.7924 0.4983 0.5314 -0.0667 -0.0728 -0.0012 162 GLY H O 2784 N N . VAL A 187 ? 0.7535 0.4929 0.5281 -0.0616 -0.1022 -0.0199 163 VAL H N 2785 C CA . VAL A 187 ? 0.6676 0.4256 0.4616 -0.0679 -0.0871 -0.0017 163 VAL H CA 2786 C C . VAL A 187 ? 0.6774 0.4178 0.4339 -0.0625 -0.0942 0.0092 163 VAL H C 2787 O O . VAL A 187 ? 0.7305 0.4540 0.4606 -0.0504 -0.1159 -0.0008 163 VAL H O 2788 C CB . VAL A 187 ? 0.5893 0.3860 0.4305 -0.0722 -0.0874 -0.0102 163 VAL H CB 2789 C CG1 . VAL A 187 ? 0.5461 0.3567 0.3933 -0.0764 -0.0762 0.0067 163 VAL H CG1 2790 C CG2 . VAL A 187 ? 0.5704 0.3784 0.4462 -0.0858 -0.0751 -0.0156 163 VAL H CG2 2800 N N . HIS A 188 ? 0.6347 0.3769 0.3877 -0.0717 -0.0777 0.0296 164 HIS H N 2801 C CA . HIS A 188 ? 0.6413 0.3658 0.3601 -0.0737 -0.0826 0.0405 164 HIS H CA 2802 C C . HIS A 188 ? 0.6267 0.3750 0.3661 -0.0853 -0.0687 0.0569 164 HIS H C 2803 O O . HIS A 188 ? 0.6124 0.3779 0.3704 -0.0926 -0.0518 0.0695 164 HIS H O 2804 C CB . HIS A 188 ? 0.6553 0.3465 0.3260 -0.0781 -0.0794 0.0485 164 HIS H CB 2805 C CG . HIS A 188 ? 0.7240 0.3855 0.3506 -0.0848 -0.0863 0.0586 164 HIS H CG 2806 N ND1 . HIS A 188 ? 0.7519 0.3672 0.3278 -0.0753 -0.1080 0.0520 164 HIS H ND1 2807 C CD2 . HIS A 188 ? 0.7336 0.4005 0.3560 -0.1013 -0.0762 0.0746 164 HIS H CD2 2808 C CE1 . HIS A 188 ? 0.7731 0.3591 0.3117 -0.0870 -0.1092 0.0642 164 HIS H CE1 2809 N NE2 . HIS A 188 ? 0.7639 0.3837 0.3319 -0.1049 -0.0899 0.0770 164 HIS H NE2 2817 N N . THR A 189 ? 0.6184 0.3667 0.3523 -0.0843 -0.0776 0.0555 165 THR H N 2818 C CA . THR A 189 ? 0.6070 0.3737 0.3507 -0.0961 -0.0685 0.0694 165 THR H CA 2819 C C . THR A 189 ? 0.6506 0.3879 0.3508 -0.1056 -0.0749 0.0777 165 THR H C 2820 O O . THR A 189 ? 0.7438 0.4463 0.4100 -0.0979 -0.0908 0.0684 165 THR H O 2821 C CB . THR A 189 ? 0.6175 0.4065 0.3846 -0.0915 -0.0703 0.0600 165 THR H CB 2822 O OG1 . THR A 189 ? 0.6529 0.4674 0.4587 -0.0890 -0.0628 0.0524 165 THR H OG1 2823 C CG2 . THR A 189 ? 0.5708 0.3758 0.3401 -0.1043 -0.0621 0.0746 165 THR H CG2 2831 N N . PHE A 190 ? 0.6073 0.3578 0.3089 -0.1223 -0.0633 0.0947 166 PHE H N 2832 C CA . PHE A 190 ? 0.6798 0.4065 0.3434 -0.1391 -0.0666 0.1029 166 PHE H CA 2833 C C . PHE A 190 ? 0.7478 0.4728 0.4047 -0.1453 -0.0747 0.1011 166 PHE H C 2834 O O . PHE A 190 ? 0.7456 0.4983 0.4277 -0.1429 -0.0724 0.1025 166 PHE H O 2835 C CB . PHE A 190 ? 0.6540 0.4182 0.3425 -0.1515 -0.0496 0.1133 166 PHE H CB 2836 C CG . PHE A 190 ? 0.6669 0.4252 0.3493 -0.1477 -0.0392 0.1145 166 PHE H CG 2837 C CD1 . PHE A 190 ? 0.6720 0.4554 0.3881 -0.1370 -0.0285 0.1163 166 PHE H CD1 2838 C CD2 . PHE A 190 ? 0.7052 0.4320 0.3492 -0.1523 -0.0395 0.1100 166 PHE H CD2 2839 C CE1 . PHE A 190 ? 0.7173 0.4945 0.4275 -0.1305 -0.0180 0.1119 166 PHE H CE1 2840 C CE2 . PHE A 190 ? 0.7453 0.4637 0.3748 -0.1497 -0.0286 0.1103 166 PHE H CE2 2841 C CZ . PHE A 190 ? 0.7614 0.5052 0.4232 -0.1386 -0.0176 0.1104 166 PHE H CZ 2851 N N . PRO A 191 ? 0.8200 0.5103 0.4417 -0.1533 -0.0832 0.0958 167 PRO H N 2852 C CA . PRO A 191 ? 0.8215 0.5017 0.4279 -0.1634 -0.0909 0.0936 167 PRO H CA 2853 C C . PRO A 191 ? 0.8472 0.5817 0.4899 -0.1796 -0.0815 0.1041 167 PRO H C 2854 O O . PRO A 191 ? 0.8450 0.6196 0.5208 -0.1832 -0.0696 0.1133 167 PRO H O 2855 C CB . PRO A 191 ? 0.8062 0.4360 0.3680 -0.1751 -0.0987 0.0886 167 PRO H CB 2856 C CG . PRO A 191 ? 0.8120 0.4450 0.3760 -0.1764 -0.0896 0.0919 167 PRO H CG 2857 C CD . PRO A 191 ? 0.8227 0.4739 0.4099 -0.1554 -0.0862 0.0918 167 PRO H CD 2865 N N . ALA A 192 ? 0.8596 0.5926 0.4914 -0.1873 -0.0884 0.1028 168 ALA H N 2866 C CA . ALA A 192 ? 0.7941 0.5761 0.4542 -0.2012 -0.0849 0.1128 168 ALA H CA 2867 C C . ALA A 192 ? 0.8308 0.6209 0.4855 -0.2278 -0.0874 0.1176 168 ALA H C 2868 O O . ALA A 192 ? 0.8167 0.5609 0.4313 -0.2412 -0.0947 0.1104 168 ALA H O 2869 C CB . ALA A 192 ? 0.7637 0.5395 0.4059 -0.2013 -0.0919 0.1091 168 ALA H CB 2875 N N . VAL A 193 ? 0.8354 0.6825 0.5278 -0.2364 -0.0821 0.1308 169 VAL H N 2876 C CA . VAL A 193 ? 0.8443 0.7148 0.5378 -0.2660 -0.0847 0.1377 169 VAL H CA 2877 C C . VAL A 193 ? 0.8596 0.7605 0.5566 -0.2832 -0.0971 0.1453 169 VAL H C 2878 O O . VAL A 193 ? 0.8552 0.7856 0.5749 -0.2681 -0.0974 0.1529 169 VAL H O 2879 C CB . VAL A 193 ? 0.7980 0.7173 0.5312 -0.2652 -0.0696 0.1491 169 VAL H CB 2880 C CG1 . VAL A 193 ? 0.7205 0.6944 0.4980 -0.2511 -0.0665 0.1640 169 VAL H CG1 2881 C CG2 . VAL A 193 ? 0.8744 0.8172 0.6064 -0.2985 -0.0689 0.1533 169 VAL H CG2 2891 N N . LEU A 194 ? 0.9098 0.7997 0.5786 -0.3162 -0.1083 0.1436 170 LEU H N 2892 C CA . LEU A 194 ? 0.9151 0.8255 0.5747 -0.3378 -0.1241 0.1496 170 LEU H CA 2893 C C . LEU A 194 ? 0.9905 0.9758 0.6869 -0.3646 -0.1276 0.1669 170 LEU H C 2894 O O . LEU A 194 ? 1.0913 1.0885 0.7912 -0.3877 -0.1239 0.1652 170 LEU H O 2895 C CB . LEU A 194 ? 0.9054 0.7488 0.5016 -0.3614 -0.1377 0.1357 170 LEU H CB 2896 C CG . LEU A 194 ? 0.9241 0.7778 0.4983 -0.3873 -0.1555 0.1390 170 LEU H CG 2897 C CD1 . LEU A 194 ? 0.8223 0.7098 0.4221 -0.3554 -0.1541 0.1416 170 LEU H CD1 2898 C CD2 . LEU A 194 ? 1.0506 0.8196 0.5586 -0.4024 -0.1638 0.1228 170 LEU H CD2 2910 N N . GLN A 195 ? 0.9500 0.9891 0.6755 -0.3562 -0.1346 0.1816 171 GLN H N 2911 C CA . GLN A 195 ? 0.9869 1.1101 0.7615 -0.3706 -0.1432 0.1921 171 GLN H CA 2912 C C . GLN A 195 ? 1.0511 1.1789 0.7991 -0.4069 -0.1668 0.1865 171 GLN H C 2913 O O . GLN A 195 ? 1.0889 1.1509 0.7780 -0.4148 -0.1754 0.1748 171 GLN H O 2914 C CB . GLN A 195 ? 1.0236 1.1959 0.8403 -0.3335 -0.1453 0.2051 171 GLN H CB 2915 C CG . GLN A 195 ? 1.0981 1.2585 0.9366 -0.2982 -0.1235 0.2087 171 GLN H CG 2916 C CD . GLN A 195 ? 1.2205 1.3795 1.0648 -0.2636 -0.1259 0.2177 171 GLN H CD 2917 O OE1 . GLN A 195 ? 1.2824 1.4851 1.1692 -0.2405 -0.1248 0.2299 171 GLN H OE1 2918 N NE2 . GLN A 195 ? 1.2674 1.3734 1.0666 -0.2597 -0.1280 0.2112 171 GLN H NE2 2927 N N . SER A 196 ? 1.0774 1.2852 0.8699 -0.4280 -0.1780 0.1928 172 SER H N 2928 C CA . SER A 196 ? 1.1453 1.3588 0.9158 -0.4556 -0.1963 0.1863 172 SER H CA 2929 C C . SER A 196 ? 1.0518 1.2614 0.8042 -0.4362 -0.2143 0.1877 172 SER H C 2930 O O . SER A 196 ? 0.9947 1.1882 0.7185 -0.4522 -0.2258 0.1793 172 SER H O 2931 C CB . SER A 196 ? 1.2524 1.5562 1.0818 -0.4717 -0.1975 0.1903 172 SER H CB 2932 O OG . SER A 196 ? 1.2712 1.6613 1.1665 -0.4440 -0.2059 0.2038 172 SER H OG 2938 N N . SER A 197 ? 1.0336 1.2526 0.7991 -0.3991 -0.2135 0.1981 173 SER H N 2939 C CA . SER A 197 ? 1.0414 1.2441 0.7855 -0.3747 -0.2210 0.1992 173 SER H CA 2940 C C . SER A 197 ? 1.0078 1.1219 0.6900 -0.3746 -0.2118 0.1806 173 SER H C 2941 O O . SER A 197 ? 1.0508 1.1457 0.7056 -0.3659 -0.2172 0.1745 173 SER H O 2942 C CB . SER A 197 ? 1.0362 1.2599 0.8079 -0.3331 -0.2151 0.2161 173 SER H CB 2943 O OG . SER A 197 ? 1.0310 1.2122 0.7952 -0.3182 -0.1931 0.2149 173 SER H OG 2949 N N . GLY A 198 ? 0.9185 0.9800 0.5784 -0.3819 -0.1983 0.1707 174 GLY H N 2950 C CA . GLY A 198 ? 0.9034 0.8847 0.5125 -0.3741 -0.1895 0.1512 174 GLY H CA 2951 C C . GLY A 198 ? 0.8816 0.8445 0.4972 -0.3354 -0.1722 0.1497 174 GLY H C 2952 O O . GLY A 198 ? 0.9538 0.8640 0.5355 -0.3222 -0.1641 0.1331 174 GLY H O 2956 N N . LEU A 199 ? 0.8010 0.8090 0.4611 -0.3165 -0.1660 0.1667 175 LEU H N 2957 C CA . LEU A 199 ? 0.7534 0.7469 0.4257 -0.2822 -0.1477 0.1662 175 LEU H CA 2958 C C . LEU A 199 ? 0.7946 0.7723 0.4836 -0.2747 -0.1336 0.1641 175 LEU H C 2959 O O . LEU A 199 ? 0.8291 0.8227 0.5300 -0.2928 -0.1359 0.1704 175 LEU H O 2960 C CB . LEU A 199 ? 0.6577 0.6967 0.3625 -0.2625 -0.1486 0.1856 175 LEU H CB 2961 C CG . LEU A 199 ? 0.6917 0.7446 0.3779 -0.2647 -0.1627 0.1893 175 LEU H CG 2962 C CD1 . LEU A 199 ? 0.6871 0.7782 0.4022 -0.2433 -0.1664 0.2115 175 LEU H CD1 2963 C CD2 . LEU A 199 ? 0.7016 0.7083 0.3444 -0.2582 -0.1532 0.1723 175 LEU H CD2 2975 N N . TYR A 200 ? 0.7771 0.7264 0.4655 -0.2497 -0.1186 0.1553 176 TYR H N 2976 C CA . TYR A 200 ? 0.7226 0.6522 0.4231 -0.2389 -0.1065 0.1502 176 TYR H CA 2977 C C . TYR A 200 ? 0.6633 0.6240 0.4077 -0.2183 -0.0947 0.1628 176 TYR H C 2978 O O . TYR A 200 ? 0.6616 0.6438 0.4205 -0.2063 -0.0932 0.1732 176 TYR H O 2979 C CB . TYR A 200 ? 0.7507 0.6307 0.4204 -0.2259 -0.1008 0.1326 176 TYR H CB 2980 C CG . TYR A 200 ? 0.8757 0.7070 0.4947 -0.2416 -0.1116 0.1180 176 TYR H CG 2981 C CD1 . TYR A 200 ? 0.9453 0.7621 0.5300 -0.2455 -0.1178 0.1089 176 TYR H CD1 2982 C CD2 . TYR A 200 ? 0.9277 0.7209 0.5277 -0.2516 -0.1151 0.1123 176 TYR H CD2 2983 C CE1 . TYR A 200 ? 1.0263 0.7900 0.5611 -0.2570 -0.1276 0.0932 176 TYR H CE1 2984 C CE2 . TYR A 200 ? 1.0014 0.7364 0.5478 -0.2654 -0.1261 0.0996 176 TYR H CE2 2985 C CZ . TYR A 200 ? 1.0511 0.7705 0.5662 -0.2669 -0.1325 0.0893 176 TYR H CZ 2986 O OH . TYR A 200 ? 1.1095 0.7642 0.5708 -0.2769 -0.1426 0.0746 176 TYR H OH 2996 N N . SER A 201 ? 0.6763 0.6321 0.4355 -0.2146 -0.0862 0.1614 177 SER H N 2997 C CA . SER A 201 ? 0.6644 0.6359 0.4569 -0.1946 -0.0734 0.1695 177 SER H CA 2998 C C . SER A 201 ? 0.6756 0.6133 0.4605 -0.1872 -0.0644 0.1566 177 SER H C 2999 O O . SER A 201 ? 0.6970 0.6116 0.4592 -0.1998 -0.0680 0.1479 177 SER H O 3000 C CB . SER A 201 ? 0.6539 0.6743 0.4774 -0.2005 -0.0740 0.1892 177 SER H CB 3001 O OG . SER A 201 ? 0.6770 0.7323 0.5059 -0.2053 -0.0873 0.2048 177 SER H OG 3007 N N . LEU A 202 ? 0.7134 0.6435 0.5121 -0.1687 -0.0545 0.1560 178 LEU H N 3008 C CA . LEU A 202 ? 0.7640 0.6653 0.5541 -0.1620 -0.0489 0.1462 178 LEU H CA 3009 C C . LEU A 202 ? 0.7073 0.6156 0.5220 -0.1482 -0.0376 0.1528 178 LEU H C 3010 O O . LEU A 202 ? 0.6968 0.6246 0.5330 -0.1415 -0.0342 0.1645 178 LEU H O 3011 C CB . LEU A 202 ? 0.8006 0.6630 0.5602 -0.1589 -0.0552 0.1319 178 LEU H CB 3012 C CG . LEU A 202 ? 0.7342 0.5975 0.4994 -0.1503 -0.0522 0.1298 178 LEU H CG 3013 C CD1 . LEU A 202 ? 0.6407 0.5096 0.4350 -0.1374 -0.0420 0.1283 178 LEU H CD1 3014 C CD2 . LEU A 202 ? 0.7443 0.5803 0.4836 -0.1447 -0.0598 0.1102 178 LEU H CD2 3026 N N . SER A 203 ? 0.6606 0.5458 0.4655 -0.1445 -0.0333 0.1460 179 SER H N 3027 C CA . SER A 203 ? 0.6812 0.5659 0.5072 -0.1294 -0.0232 0.1442 179 SER H CA 3028 C C . SER A 203 ? 0.6581 0.5113 0.4711 -0.1215 -0.0266 0.1262 179 SER H C 3029 O O . SER A 203 ? 0.6919 0.5210 0.4759 -0.1244 -0.0361 0.1164 179 SER H O 3030 C CB . SER A 203 ? 0.7865 0.6836 0.6193 -0.1283 -0.0129 0.1480 179 SER H CB 3031 O OG . SER A 203 ? 0.8658 0.8050 0.7237 -0.1311 -0.0099 0.1629 179 SER H OG 3037 N N . SER A 204 ? 0.6069 0.4589 0.4408 -0.1117 -0.0207 0.1218 180 SER H N 3038 C CA . SER A 204 ? 0.6214 0.4528 0.4511 -0.1052 -0.0250 0.1030 180 SER H CA 3039 C C . SER A 204 ? 0.6429 0.4656 0.4828 -0.0975 -0.0160 0.0999 180 SER H C 3040 O O . SER A 204 ? 0.6581 0.4870 0.5195 -0.0943 -0.0065 0.1084 180 SER H O 3041 C CB . SER A 204 ? 0.5995 0.4393 0.4454 -0.1064 -0.0265 0.0957 180 SER H CB 3042 O OG . SER A 204 ? 0.5980 0.4288 0.4462 -0.1009 -0.0337 0.0749 180 SER H OG 3048 N N . VAL A 205 ? 0.6352 0.4373 0.4533 -0.0934 -0.0198 0.0876 181 VAL H N 3049 C CA . VAL A 205 ? 0.6346 0.4237 0.4535 -0.0857 -0.0109 0.0813 181 VAL H CA 3050 C C . VAL A 205 ? 0.6588 0.4265 0.4690 -0.0824 -0.0216 0.0597 181 VAL H C 3051 O O . VAL A 205 ? 0.6438 0.4080 0.4429 -0.0827 -0.0374 0.0497 181 VAL H O 3052 C CB . VAL A 205 ? 0.6047 0.3912 0.3996 -0.0853 -0.0025 0.0856 181 VAL H CB 3053 C CG1 . VAL A 205 ? 0.5899 0.4094 0.4021 -0.0900 0.0070 0.1048 181 VAL H CG1 3054 C CG2 . VAL A 205 ? 0.5712 0.3341 0.3229 -0.0906 -0.0150 0.0788 181 VAL H CG2 3064 N N . VAL A 206 ? 0.6905 0.4436 0.5058 -0.0776 -0.0146 0.0511 182 VAL H N 3065 C CA . VAL A 206 ? 0.7030 0.4366 0.5080 -0.0765 -0.0266 0.0286 182 VAL H CA 3066 C C . VAL A 206 ? 0.7015 0.4092 0.4864 -0.0695 -0.0174 0.0200 182 VAL H C 3067 O O . VAL A 206 ? 0.7159 0.4207 0.5137 -0.0644 -0.0004 0.0274 182 VAL H O 3068 C CB . VAL A 206 ? 0.6751 0.4180 0.5144 -0.0849 -0.0305 0.0194 182 VAL H CB 3069 C CG1 . VAL A 206 ? 0.6724 0.4125 0.5347 -0.0884 -0.0130 0.0333 182 VAL H CG1 3070 C CG2 . VAL A 206 ? 0.7032 0.4307 0.5368 -0.0863 -0.0435 -0.0060 182 VAL H CG2 3080 N N . THR A 207 ? 0.6905 0.3774 0.4401 -0.0667 -0.0296 0.0037 183 THR H N 3081 C CA . THR A 207 ? 0.7436 0.4023 0.4648 -0.0604 -0.0217 -0.0088 183 THR H CA 3082 C C . THR A 207 ? 0.7838 0.4253 0.5165 -0.0641 -0.0311 -0.0305 183 THR H C 3083 O O . THR A 207 ? 0.8238 0.4716 0.5622 -0.0700 -0.0530 -0.0442 183 THR H O 3084 C CB . THR A 207 ? 0.8224 0.4613 0.4870 -0.0576 -0.0304 -0.0143 183 THR H CB 3085 O OG1 . THR A 207 ? 0.8340 0.4857 0.4861 -0.0606 -0.0204 0.0060 183 THR H OG1 3086 C CG2 . THR A 207 ? 0.8822 0.4916 0.5107 -0.0513 -0.0197 -0.0291 183 THR H CG2 3094 N N . VAL A 208 ? 0.7872 0.4074 0.5247 -0.0604 -0.0151 -0.0348 184 VAL H N 3095 C CA . VAL A 208 ? 0.8285 0.4242 0.5746 -0.0688 -0.0221 -0.0553 184 VAL H CA 3096 C C . VAL A 208 ? 0.8992 0.4522 0.6119 -0.0590 -0.0111 -0.0711 184 VAL H C 3097 O O . VAL A 208 ? 0.9568 0.5064 0.6543 -0.0434 0.0089 -0.0625 184 VAL H O 3098 C CB . VAL A 208 ? 0.8505 0.4510 0.6405 -0.0789 -0.0138 -0.0440 184 VAL H CB 3099 C CG1 . VAL A 208 ? 0.8275 0.4695 0.6485 -0.0911 -0.0247 -0.0356 184 VAL H CG1 3100 C CG2 . VAL A 208 ? 0.8716 0.4677 0.6687 -0.0642 0.0087 -0.0223 184 VAL H CG2 3110 N N . PRO A 209 ? 0.9197 0.4431 0.6219 -0.0687 -0.0238 -0.0966 185 PRO H N 3111 C CA . PRO A 209 ? 0.9663 0.4405 0.6321 -0.0602 -0.0143 -0.1163 185 PRO H CA 3112 C C . PRO A 209 ? 1.0141 0.4632 0.6968 -0.0489 0.0102 -0.1064 185 PRO H C 3113 O O . PRO A 209 ? 1.0186 0.4648 0.7366 -0.0599 0.0108 -0.0961 185 PRO H O 3114 C CB . PRO A 209 ? 0.9998 0.4530 0.6624 -0.0803 -0.0377 -0.1445 185 PRO H CB 3115 C CG . PRO A 209 ? 0.9696 0.4711 0.6580 -0.0929 -0.0619 -0.1421 185 PRO H CG 3116 C CD . PRO A 209 ? 0.9171 0.4557 0.6413 -0.0888 -0.0487 -0.1112 185 PRO H CD 3124 N N . SER A 210 ? 1.0970 0.5276 0.7524 -0.0259 0.0304 -0.1095 186 SER H N 3125 C CA . SER A 210 ? 1.1844 0.5894 0.8536 -0.0067 0.0517 -0.1025 186 SER H CA 3126 C C . SER A 210 ? 1.2501 0.5929 0.9164 -0.0177 0.0458 -0.1189 186 SER H C 3127 O O . SER A 210 ? 1.2602 0.5771 0.9464 -0.0108 0.0549 -0.1061 186 SER H O 3128 C CB . SER A 210 ? 1.2672 0.6657 0.9056 0.0215 0.0744 -0.1118 186 SER H CB 3129 O OG . SER A 210 ? 1.2440 0.6978 0.8817 0.0250 0.0818 -0.0968 186 SER H OG 3135 N N . SER A 211 ? 1.2999 0.6160 0.9384 -0.0363 0.0287 -0.1470 187 SER H N 3136 C CA . SER A 211 ? 1.3634 0.6157 0.9927 -0.0527 0.0223 -0.1676 187 SER H CA 3137 C C . SER A 211 ? 1.3287 0.5862 1.0015 -0.0810 0.0147 -0.1523 187 SER H C 3138 O O . SER A 211 ? 1.3533 0.5516 1.0233 -0.0927 0.0179 -0.1574 187 SER H O 3139 C CB . SER A 211 ? 1.3939 0.6277 0.9854 -0.0697 0.0014 -0.2026 187 SER H CB 3140 O OG . SER A 211 ? 1.3288 0.6198 0.9397 -0.0898 -0.0223 -0.2007 187 SER H OG 3146 N N . SER A 212 ? 1.2611 0.5849 0.9692 -0.0929 0.0061 -0.1340 188 SER H N 3147 C CA . SER A 212 ? 1.2383 0.5776 0.9863 -0.1226 0.0008 -0.1219 188 SER H CA 3148 C C . SER A 212 ? 1.2979 0.6256 1.0639 -0.1127 0.0189 -0.0896 188 SER H C 3149 O O . SER A 212 ? 1.4101 0.7262 1.1956 -0.1376 0.0202 -0.0791 188 SER H O 3150 C CB . SER A 212 ? 1.1135 0.5282 0.8901 -0.1354 -0.0155 -0.1186 188 SER H CB 3151 O OG . SER A 212 ? 1.0530 0.5099 0.8365 -0.1132 -0.0077 -0.0939 188 SER H OG 3157 N N . LEU A 213 ? 1.2320 0.5649 0.9903 -0.0774 0.0327 -0.0740 189 LEU H N 3158 C CA . LEU A 213 ? 1.2171 0.5449 0.9916 -0.0622 0.0455 -0.0429 189 LEU H CA 3159 C C . LEU A 213 ? 1.4106 0.6541 1.1684 -0.0640 0.0517 -0.0434 189 LEU H C 3160 O O . LEU A 213 ? 1.5821 0.7666 1.3093 -0.0539 0.0543 -0.0666 189 LEU H O 3161 C CB . LEU A 213 ? 1.1294 0.4854 0.9025 -0.0230 0.0574 -0.0318 189 LEU H CB 3162 C CG . LEU A 213 ? 1.0362 0.4654 0.8183 -0.0221 0.0536 -0.0278 189 LEU H CG 3163 C CD1 . LEU A 213 ? 1.0157 0.4715 0.7977 0.0112 0.0690 -0.0189 189 LEU H CD1 3164 C CD2 . LEU A 213 ? 0.9559 0.4322 0.7679 -0.0422 0.0450 -0.0065 189 LEU H CD2 3176 N N . GLY A 214 ? 1.3863 0.6180 1.1580 -0.0773 0.0540 -0.0178 190 GLY H N 3177 C CA . GLY A 214 ? 1.4397 0.5895 1.1925 -0.0812 0.0583 -0.0126 190 GLY H CA 3178 C C . GLY A 214 ? 1.4284 0.5763 1.1926 -0.1283 0.0498 -0.0253 190 GLY H C 3179 O O . GLY A 214 ? 1.4549 0.5683 1.2189 -0.1414 0.0513 -0.0131 190 GLY H O 3183 N N . THR A 215 ? 1.3913 0.5774 1.1653 -0.1531 0.0401 -0.0501 191 THR H N 3184 C CA . THR A 215 ? 1.4171 0.6189 1.2119 -0.1980 0.0313 -0.0648 191 THR H CA 3185 C C . THR A 215 ? 1.3667 0.6460 1.1963 -0.2234 0.0267 -0.0611 191 THR H C 3186 O O . THR A 215 ? 1.4255 0.7357 1.2826 -0.2601 0.0212 -0.0718 191 THR H O 3187 C CB . THR A 215 ? 1.4536 0.6378 1.2341 -0.2060 0.0186 -0.1036 191 THR H CB 3188 O OG1 . THR A 215 ? 1.4413 0.6549 1.2088 -0.1877 0.0113 -0.1195 191 THR H OG1 3189 C CG2 . THR A 215 ? 1.5119 0.6170 1.2591 -0.1860 0.0238 -0.1107 191 THR H CG2 3197 N N . GLN A 216 ? 1.2651 0.5802 1.0962 -0.2025 0.0291 -0.0467 192 GLN H N 3198 C CA . GLN A 216 ? 1.1970 0.5989 1.0648 -0.2154 0.0226 -0.0434 192 GLN H CA 3199 C C . GLN A 216 ? 1.0972 0.5277 0.9739 -0.1998 0.0331 -0.0084 192 GLN H C 3200 O O . GLN A 216 ? 1.0900 0.5114 0.9521 -0.1651 0.0374 0.0074 192 GLN H O 3201 C CB . GLN A 216 ? 1.2395 0.6889 1.1085 -0.1986 0.0062 -0.0648 192 GLN H CB 3202 C CG . GLN A 216 ? 1.2677 0.7985 1.1666 -0.1982 -0.0016 -0.0590 192 GLN H CG 3203 C CD . GLN A 216 ? 1.3663 0.9386 1.3036 -0.2350 -0.0045 -0.0673 192 GLN H CD 3204 O OE1 . GLN A 216 ? 1.4545 0.9962 1.3971 -0.2667 0.0007 -0.0753 192 GLN H OE1 3205 N NE2 . GLN A 216 ? 1.3533 0.9953 1.3172 -0.2315 -0.0116 -0.0667 192 GLN H NE2 3214 N N . THR A 217 ? 1.0286 0.4979 0.9300 -0.2266 0.0373 0.0018 193 THR H N 3215 C CA . THR A 217 ? 0.9827 0.4749 0.8869 -0.2174 0.0465 0.0338 193 THR H CA 3216 C C . THR A 217 ? 0.8791 0.4477 0.8026 -0.2020 0.0383 0.0333 193 THR H C 3217 O O . THR A 217 ? 0.8252 0.4394 0.7693 -0.2114 0.0275 0.0106 193 THR H O 3218 C CB . THR A 217 ? 1.0514 0.5442 0.9653 -0.2534 0.0585 0.0463 193 THR H CB 3219 O OG1 . THR A 217 ? 1.1507 0.5814 1.0474 -0.2554 0.0631 0.0534 193 THR H OG1 3220 C CG2 . THR A 217 ? 1.0343 0.5596 0.9479 -0.2448 0.0658 0.0758 193 THR H CG2 3228 N N . TYR A 218 ? 0.8687 0.4483 0.7838 -0.1781 0.0415 0.0581 194 TYR H N 3229 C CA . TYR A 218 ? 0.8258 0.4653 0.7512 -0.1641 0.0340 0.0596 194 TYR H CA 3230 C C . TYR A 218 ? 0.8360 0.4969 0.7612 -0.1644 0.0407 0.0868 194 TYR H C 3231 O O . TYR A 218 ? 0.8559 0.4957 0.7664 -0.1474 0.0442 0.1099 194 TYR H O 3232 C CB . TYR A 218 ? 0.8279 0.4646 0.7390 -0.1333 0.0284 0.0575 194 TYR H CB 3233 C CG . TYR A 218 ? 0.8673 0.4855 0.7694 -0.1310 0.0207 0.0296 194 TYR H CG 3234 C CD1 . TYR A 218 ? 0.8043 0.4564 0.7117 -0.1352 0.0063 0.0088 194 TYR H CD1 3235 C CD2 . TYR A 218 ? 0.9401 0.5031 0.8238 -0.1223 0.0261 0.0233 194 TYR H CD2 3236 C CE1 . TYR A 218 ? 0.8174 0.4509 0.7098 -0.1330 -0.0038 -0.0164 194 TYR H CE1 3237 C CE2 . TYR A 218 ? 0.9530 0.4965 0.8216 -0.1210 0.0187 -0.0040 194 TYR H CE2 3238 C CZ . TYR A 218 ? 0.8982 0.4782 0.7702 -0.1275 0.0031 -0.0231 194 TYR H CZ 3239 O OH . TYR A 218 ? 0.9461 0.5048 0.7964 -0.1261 -0.0072 -0.0499 194 TYR H OH 3249 N N . ILE A 219 ? 0.8141 0.5194 0.7556 -0.1819 0.0414 0.0820 195 ILE H N 3250 C CA . ILE A 219 ? 0.7830 0.5101 0.7190 -0.1847 0.0478 0.1038 195 ILE H CA 3251 C C . ILE A 219 ? 0.7284 0.5088 0.6734 -0.1758 0.0387 0.0945 195 ILE H C 3252 O O . ILE A 219 ? 0.7390 0.5494 0.7029 -0.1811 0.0324 0.0702 195 ILE H O 3253 C CB . ILE A 219 ? 0.7900 0.5162 0.7301 -0.2174 0.0628 0.1078 195 ILE H CB 3254 C CG1 . ILE A 219 ? 0.8438 0.5037 0.7680 -0.2309 0.0714 0.1168 195 ILE H CG1 3255 C CG2 . ILE A 219 ? 0.7919 0.5363 0.7164 -0.2194 0.0700 0.1305 195 ILE H CG2 3256 C CD1 . ILE A 219 ? 0.8745 0.5413 0.8097 -0.2632 0.0855 0.1142 195 ILE H CD1 3268 N N . CYS A 220 ? 0.6643 0.4543 0.5945 -0.1616 0.0360 0.1130 196 CYS H N 3269 C CA . CYS A 220 ? 0.6137 0.4427 0.5441 -0.1556 0.0279 0.1061 196 CYS H CA 3270 C C . CYS A 220 ? 0.6505 0.5004 0.5766 -0.1700 0.0375 0.1144 196 CYS H C 3271 O O . CYS A 220 ? 0.6696 0.5010 0.5805 -0.1779 0.0467 0.1366 196 CYS H O 3272 C CB . CYS A 220 ? 0.5551 0.3836 0.4702 -0.1365 0.0189 0.1184 196 CYS H CB 3273 S SG . CYS A 220 ? 1.2557 1.0782 1.1550 -0.1327 0.0222 0.1515 196 CYS H SG 3278 N N . ASN A 221 ? 0.6412 0.5270 0.5766 -0.1714 0.0349 0.0961 197 ASN H N 3279 C CA . ASN A 221 ? 0.6447 0.5550 0.5746 -0.1836 0.0465 0.0986 197 ASN H CA 3280 C C . ASN A 221 ? 0.6792 0.6029 0.5892 -0.1698 0.0364 0.0991 197 ASN H C 3281 O O . ASN A 221 ? 0.7079 0.6492 0.6247 -0.1586 0.0264 0.0780 197 ASN H O 3282 C CB . ASN A 221 ? 0.6065 0.5531 0.5678 -0.1970 0.0553 0.0725 197 ASN H CB 3283 C CG . ASN A 221 ? 0.6034 0.5388 0.5895 -0.2093 0.0570 0.0623 197 ASN H CG 3284 O OD1 . ASN A 221 ? 0.5845 0.5344 0.5928 -0.2008 0.0436 0.0389 197 ASN H OD1 3285 N ND2 . ASN A 221 ? 0.6268 0.5307 0.6038 -0.2297 0.0714 0.0799 197 ASN H ND2 3292 N N . VAL A 222 ? 0.6908 0.6024 0.5733 -0.1704 0.0366 0.1230 198 VAL H N 3293 C CA . VAL A 222 ? 0.6952 0.6150 0.5545 -0.1623 0.0260 0.1243 198 VAL H CA 3294 C C . VAL A 222 ? 0.7177 0.6559 0.5598 -0.1726 0.0374 0.1208 198 VAL H C 3295 O O . VAL A 222 ? 0.6991 0.6337 0.5290 -0.1872 0.0516 0.1362 198 VAL H O 3296 C CB . VAL A 222 ? 0.7206 0.6252 0.5617 -0.1573 0.0164 0.1498 198 VAL H CB 3297 C CG1 . VAL A 222 ? 0.6684 0.5811 0.4871 -0.1540 0.0033 0.1480 198 VAL H CG1 3298 C CG2 . VAL A 222 ? 0.7668 0.6564 0.6254 -0.1467 0.0108 0.1528 198 VAL H CG2 3308 N N . ASN A 223 ? 0.7581 0.7109 0.5939 -0.1642 0.0316 0.1005 199 ASN H N 3309 C CA . ASN A 223 ? 0.7967 0.7690 0.6152 -0.1702 0.0440 0.0910 199 ASN H CA 3310 C C . ASN A 223 ? 0.7121 0.6754 0.4967 -0.1605 0.0298 0.0850 199 ASN H C 3311 O O . ASN A 223 ? 0.6875 0.6433 0.4748 -0.1455 0.0156 0.0677 199 ASN H O 3312 C CB . ASN A 223 ? 0.9061 0.9127 0.7590 -0.1690 0.0568 0.0621 199 ASN H CB 3313 C CG . ASN A 223 ? 1.0630 1.0953 0.9012 -0.1673 0.0690 0.0438 199 ASN H CG 3314 O OD1 . ASN A 223 ? 1.1365 1.1803 0.9579 -0.1850 0.0901 0.0520 199 ASN H OD1 3315 N ND2 . ASN A 223 ? 1.1176 1.1551 0.9575 -0.1450 0.0565 0.0183 199 ASN H ND2 3322 N N . HIS A 224 ? 0.6829 0.6410 0.4301 -0.1704 0.0321 0.1000 200 HIS H N 3323 C CA . HIS A 224 ? 0.6759 0.6214 0.3849 -0.1667 0.0180 0.0947 200 HIS H CA 3324 C C . HIS A 224 ? 0.7293 0.6876 0.4092 -0.1708 0.0336 0.0805 200 HIS H C 3325 O O . HIS A 224 ? 0.7278 0.6862 0.3763 -0.1848 0.0415 0.0973 200 HIS H O 3326 C CB . HIS A 224 ? 0.7033 0.6349 0.3907 -0.1749 0.0027 0.1228 200 HIS H CB 3327 C CG . HIS A 224 ? 0.7819 0.7002 0.4322 -0.1769 -0.0149 0.1178 200 HIS H CG 3328 N ND1 . HIS A 224 ? 0.8214 0.7391 0.4312 -0.1883 -0.0201 0.1294 200 HIS H ND1 3329 C CD2 . HIS A 224 ? 0.8419 0.7417 0.4845 -0.1714 -0.0299 0.1025 200 HIS H CD2 3330 C CE1 . HIS A 224 ? 0.8600 0.7625 0.4424 -0.1914 -0.0375 0.1195 200 HIS H CE1 3331 N NE2 . HIS A 224 ? 0.8718 0.7602 0.4723 -0.1821 -0.0427 0.1038 200 HIS H NE2 3339 N N . LYS A 225 ? 0.7881 0.7566 0.4760 -0.1563 0.0378 0.0490 201 LYS H N 3340 C CA . LYS A 225 ? 0.8620 0.8506 0.5297 -0.1561 0.0577 0.0290 201 LYS H CA 3341 C C . LYS A 225 ? 0.8691 0.8354 0.4741 -0.1631 0.0519 0.0332 201 LYS H C 3342 O O . LYS A 225 ? 0.9243 0.9042 0.5005 -0.1740 0.0718 0.0329 201 LYS H O 3343 C CB . LYS A 225 ? 0.9630 0.9668 0.6552 -0.1311 0.0584 -0.0084 201 LYS H CB 3344 C CG . LYS A 225 ? 1.0328 1.0727 0.7878 -0.1264 0.0671 -0.0179 201 LYS H CG 3345 C CD . LYS A 225 ? 1.0849 1.1453 0.8663 -0.0965 0.0630 -0.0556 201 LYS H CD 3346 C CE . LYS A 225 ? 1.0295 1.1421 0.8772 -0.0958 0.0741 -0.0686 201 LYS H CE 3347 N NZ . LYS A 225 ? 0.9998 1.1653 0.8659 -0.1174 0.1099 -0.0725 201 LYS H NZ 3361 N N . PRO A 226 ? 0.8504 0.7821 0.4308 -0.1600 0.0250 0.0364 202 PRO H N 3362 C CA . PRO A 226 ? 0.9065 0.8164 0.4265 -0.1697 0.0156 0.0381 202 PRO H CA 3363 C C . PRO A 226 ? 0.9522 0.8730 0.4448 -0.1900 0.0237 0.0653 202 PRO H C 3364 O O . PRO A 226 ? 1.0450 0.9605 0.4853 -0.1972 0.0288 0.0596 202 PRO H O 3365 C CB . PRO A 226 ? 0.8960 0.7748 0.4097 -0.1725 -0.0146 0.0471 202 PRO H CB 3366 C CG . PRO A 226 ? 0.8697 0.7428 0.4245 -0.1551 -0.0185 0.0348 202 PRO H CG 3367 C CD . PRO A 226 ? 0.8334 0.7435 0.4362 -0.1503 0.0030 0.0367 202 PRO H CD 3375 N N . SER A 227 ? 0.8941 0.8242 0.4161 -0.1973 0.0238 0.0940 203 SER H N 3376 C CA . SER A 227 ? 0.9089 0.8418 0.4150 -0.2080 0.0273 0.1206 203 SER H CA 3377 C C . SER A 227 ? 0.8810 0.8295 0.4050 -0.2149 0.0571 0.1271 203 SER H C 3378 O O . SER A 227 ? 0.8901 0.8336 0.4126 -0.2171 0.0602 0.1471 203 SER H O 3379 C CB . SER A 227 ? 0.9283 0.8569 0.4671 -0.2016 0.0024 0.1435 203 SER H CB 3380 O OG . SER A 227 ? 0.9096 0.8418 0.4949 -0.1966 0.0052 0.1499 203 SER H OG 3386 N N . ASN A 228 ? 0.8995 0.8678 0.4547 -0.2122 0.0761 0.1051 204 ASN H N 3387 C CA . ASN A 228 ? 1.0114 1.0010 0.5941 -0.2236 0.1053 0.1071 204 ASN H CA 3388 C C . ASN A 228 ? 1.0882 1.0604 0.6949 -0.2293 0.0991 0.1377 204 ASN H C 3389 O O . ASN A 228 ? 1.2305 1.1992 0.8419 -0.2375 0.1144 0.1498 204 ASN H O 3390 C CB . ASN A 228 ? 1.1272 1.1271 0.6649 -0.2402 0.1331 0.1067 204 ASN H CB 3391 C CG . ASN A 228 ? 1.1913 1.2236 0.7297 -0.2313 0.1525 0.0666 204 ASN H CG 3392 O OD1 . ASN A 228 ? 1.1198 1.1755 0.7099 -0.2135 0.1517 0.0391 204 ASN H OD1 3393 N ND2 . ASN A 228 ? 1.3170 1.3503 0.7970 -0.2403 0.1688 0.0619 204 ASN H ND2 3400 N N . THR A 229 ? 0.9975 0.9562 0.6272 -0.2176 0.0745 0.1452 205 THR H N 3401 C CA . THR A 229 ? 0.9701 0.9125 0.6331 -0.2104 0.0658 0.1651 205 THR H CA 3402 C C . THR A 229 ? 0.8809 0.8309 0.5862 -0.2156 0.0761 0.1567 205 THR H C 3403 O O . THR A 229 ? 0.8887 0.8516 0.6210 -0.2026 0.0677 0.1335 205 THR H O 3404 C CB . THR A 229 ? 1.0350 0.9658 0.7036 -0.1936 0.0358 0.1758 205 THR H CB 3405 O OG1 . THR A 229 ? 1.1315 1.0609 0.7636 -0.1923 0.0236 0.1798 205 THR H OG1 3406 C CG2 . THR A 229 ? 1.0279 0.9434 0.7227 -0.1830 0.0310 0.1945 205 THR H CG2 3414 N N . LYS A 230 ? 0.8120 0.7525 0.5370 -0.2215 0.0886 0.1659 206 LYS H N 3415 C CA . LYS A 230 ? 0.7797 0.7217 0.5463 -0.2270 0.0942 0.1587 206 LYS H CA 3416 C C . LYS A 230 ? 0.8290 0.7353 0.6057 -0.2159 0.0856 0.1785 206 LYS H C 3417 O O . LYS A 230 ? 0.8443 0.7299 0.6021 -0.2167 0.0916 0.1950 206 LYS H O 3418 C CB . LYS A 230 ? 0.7901 0.7612 0.5764 -0.2493 0.1228 0.1412 206 LYS H CB 3419 C CG . LYS A 230 ? 0.8407 0.8587 0.6471 -0.2393 0.1270 0.1054 206 LYS H CG 3420 C CD . LYS A 230 ? 0.9711 1.0324 0.8131 -0.2583 0.1547 0.0843 206 LYS H CD 3421 C CE . LYS A 230 ? 1.0660 1.1785 0.9239 -0.2442 0.1615 0.0490 206 LYS H CE 3422 N NZ . LYS A 230 ? 1.1284 1.2971 1.0243 -0.2647 0.1925 0.0279 206 LYS H NZ 3436 N N . VAL A 231 ? 0.8661 0.7630 0.6677 -0.2053 0.0726 0.1767 207 VAL H N 3437 C CA . VAL A 231 ? 0.9087 0.7725 0.7174 -0.1919 0.0659 0.1926 207 VAL H CA 3438 C C . VAL A 231 ? 0.8826 0.7367 0.7222 -0.1953 0.0669 0.1818 207 VAL H C 3439 O O . VAL A 231 ? 0.8357 0.7065 0.6902 -0.1958 0.0598 0.1665 207 VAL H O 3440 C CB . VAL A 231 ? 0.9038 0.7647 0.7038 -0.1688 0.0450 0.2044 207 VAL H CB 3441 C CG1 . VAL A 231 ? 0.9331 0.7626 0.7392 -0.1539 0.0408 0.2200 207 VAL H CG1 3442 C CG2 . VAL A 231 ? 0.9141 0.7835 0.6817 -0.1675 0.0403 0.2133 207 VAL H CG2 3452 N N . ASP A 232 ? 0.9016 0.7236 0.7459 -0.1984 0.0745 0.1898 208 ASP H N 3453 C CA . ASP A 232 ? 0.8610 0.6643 0.7286 -0.2014 0.0736 0.1796 208 ASP H CA 3454 C C . ASP A 232 ? 0.8349 0.5977 0.6951 -0.1797 0.0650 0.1967 208 ASP H C 3455 O O . ASP A 232 ? 0.8780 0.6117 0.7203 -0.1749 0.0691 0.2155 208 ASP H O 3456 C CB . ASP A 232 ? 0.9352 0.7340 0.8166 -0.2285 0.0910 0.1691 208 ASP H CB 3457 C CG . ASP A 232 ? 0.9906 0.8399 0.8883 -0.2506 0.1022 0.1479 208 ASP H CG 3458 O OD1 . ASP A 232 ? 1.0012 0.8830 0.9035 -0.2401 0.0930 0.1363 208 ASP H OD1 3459 O OD2 . ASP A 232 ? 1.0413 0.9018 0.9513 -0.2743 0.1196 0.1402 208 ASP H OD2 3464 N N . LYS A 233 ? 0.7904 0.5499 0.6614 -0.1663 0.0535 0.1909 209 LYS H N 3465 C CA . LYS A 233 ? 0.7985 0.5241 0.6640 -0.1441 0.0466 0.2055 209 LYS H CA 3466 C C . LYS A 233 ? 0.7912 0.4818 0.6664 -0.1457 0.0480 0.1921 209 LYS H C 3467 O O . LYS A 233 ? 0.7341 0.4486 0.6280 -0.1438 0.0441 0.1682 209 LYS H O 3468 C CB . LYS A 233 ? 0.7995 0.5538 0.6664 -0.1239 0.0321 0.2125 209 LYS H CB 3469 C CG . LYS A 233 ? 0.9163 0.6608 0.7699 -0.1029 0.0248 0.2368 209 LYS H CG 3470 C CD . LYS A 233 ? 1.0679 0.7574 0.9163 -0.0893 0.0268 0.2486 209 LYS H CD 3471 C CE . LYS A 233 ? 1.1591 0.8316 0.9862 -0.0694 0.0189 0.2739 209 LYS H CE 3472 N NZ . LYS A 233 ? 1.2280 0.8328 1.0409 -0.0569 0.0232 0.2848 209 LYS H NZ 3486 N N . ARG A 234 ? 0.8793 0.5184 0.7444 -0.1416 0.0529 0.2015 210 ARG H N 3487 C CA . ARG A 234 ? 0.9757 0.5721 0.8436 -0.1386 0.0541 0.1865 210 ARG H CA 3488 C C . ARG A 234 ? 0.9156 0.5189 0.7906 -0.1027 0.0457 0.1851 210 ARG H C 3489 O O . ARG A 234 ? 0.8914 0.4872 0.7589 -0.0791 0.0411 0.2063 210 ARG H O 3490 C CB . ARG A 234 ? 1.1855 0.7248 1.0407 -0.1428 0.0604 0.1956 210 ARG H CB 3491 C CG . ARG A 234 ? 1.3899 0.9368 1.2501 -0.1766 0.0712 0.1913 210 ARG H CG 3492 C CD . ARG A 234 ? 1.6342 1.1198 1.4770 -0.1802 0.0750 0.2028 210 ARG H CD 3493 N NE . ARG A 234 ? 1.7623 1.2546 1.6065 -0.2148 0.0876 0.2018 210 ARG H NE 3494 C CZ . ARG A 234 ? 1.8804 1.3216 1.7059 -0.2267 0.0930 0.2128 210 ARG H CZ 3495 N NH1 . ARG A 234 ? 1.9547 1.3315 1.7589 -0.2040 0.0852 0.2248 210 ARG H NH1 3496 N NH2 . ARG A 234 ? 1.9070 1.3601 1.7339 -0.2611 0.1066 0.2114 210 ARG H NH2 3510 N N . VAL A 235 ? 0.8905 0.5115 0.7796 -0.0985 0.0437 0.1597 211 VAL H N 3511 C CA . VAL A 235 ? 0.8547 0.4823 0.7485 -0.0686 0.0410 0.1552 211 VAL H CA 3512 C C . VAL A 235 ? 0.9072 0.4787 0.7920 -0.0596 0.0462 0.1404 211 VAL H C 3513 O O . VAL A 235 ? 0.9044 0.4622 0.7876 -0.0762 0.0467 0.1169 211 VAL H O 3514 C CB . VAL A 235 ? 0.7606 0.4378 0.6642 -0.0691 0.0361 0.1386 211 VAL H CB 3515 C CG1 . VAL A 235 ? 0.7505 0.4424 0.6577 -0.0423 0.0377 0.1380 211 VAL H CG1 3516 C CG2 . VAL A 235 ? 0.7080 0.4297 0.6153 -0.0821 0.0305 0.1480 211 VAL H CG2 3526 N N . GLU A 236 ? 0.9663 0.5052 0.8443 -0.0314 0.0483 0.1528 212 GLU H N 3527 C CA . GLU A 236 ? 1.0989 0.5734 0.9622 -0.0187 0.0537 0.1389 212 GLU H CA 3528 C C . GLU A 236 ? 1.0631 0.5487 0.9334 0.0226 0.0569 0.1349 212 GLU H C 3529 O O . GLU A 236 ? 1.0330 0.5717 0.9218 0.0411 0.0542 0.1496 212 GLU H O 3530 C CB . GLU A 236 ? 1.3135 0.7153 1.1541 -0.0238 0.0550 0.1569 212 GLU H CB 3531 C CG . GLU A 236 ? 1.4629 0.8479 1.2956 -0.0699 0.0577 0.1557 212 GLU H CG 3532 C CD . GLU A 236 ? 1.6125 0.9513 1.4276 -0.0778 0.0576 0.1783 212 GLU H CD 3533 O OE1 . GLU A 236 ? 1.6541 0.9771 1.4594 -0.0473 0.0520 0.2014 212 GLU H OE1 3534 O OE2 . GLU A 236 ? 1.6655 0.9962 1.4824 -0.1131 0.0613 0.1713 212 GLU H OE2 3541 N N . PRO A 237 ? 1.0535 0.4920 0.9098 0.0360 0.0635 0.1127 213 PRO H N 3542 C CA . PRO A 237 ? 1.0837 0.5317 0.9458 0.0768 0.0712 0.1039 213 PRO H CA 3543 C C . PRO A 237 ? 1.1435 0.5851 1.0155 0.1138 0.0688 0.1279 213 PRO H C 3544 O O . PRO A 237 ? 1.2036 0.5851 1.0577 0.1130 0.0629 0.1450 213 PRO H O 3545 C CB . PRO A 237 ? 1.0940 0.4702 0.9281 0.0791 0.0777 0.0757 213 PRO H CB 3546 C CG . PRO A 237 ? 1.0287 0.3870 0.8511 0.0335 0.0713 0.0644 213 PRO H CG 3547 C CD . PRO A 237 ? 1.0291 0.4056 0.8632 0.0109 0.0645 0.0917 213 PRO H CD 3555 N N . LYS A 238 ? 1.1275 0.6311 1.0267 0.1452 0.0728 0.1292 214 LYS H N 3556 C CA . LYS A 238 ? 1.2003 0.7123 1.1167 0.1858 0.0670 0.1499 214 LYS H CA 3557 C C . LYS A 238 ? 1.2894 0.7517 1.1989 0.2312 0.0761 0.1339 214 LYS H C 3558 O O . LYS A 238 ? 1.2538 0.6983 1.1510 0.2327 0.0903 0.1046 214 LYS H O 3559 C CB . LYS A 238 ? 1.1848 0.8020 1.1427 0.1942 0.0644 0.1601 214 LYS H CB 3560 C CG . LYS A 238 ? 1.2298 0.9065 1.2083 0.2038 0.0815 0.1363 214 LYS H CG 3561 C CD . LYS A 238 ? 1.2541 1.0330 1.2766 0.2109 0.0790 0.1484 214 LYS H CD 3562 C CE . LYS A 238 ? 1.2767 1.1168 1.3145 0.2081 0.0992 0.1268 214 LYS H CE 3563 N NZ . LYS A 238 ? 1.3496 1.1735 1.3896 0.2477 0.1183 0.1042 214 LYS H NZ 3577 N N . SER A 239 ? 1.4361 0.8733 1.3496 0.2705 0.0667 0.1528 215 SER H N 3578 C CA . SER A 239 ? 1.6372 1.0142 1.5402 0.3202 0.0727 0.1392 215 SER H CA 3579 C C . SER A 239 ? 1.6289 1.0808 1.5690 0.3560 0.0898 0.1151 215 SER H C 3580 O O . SER A 239 ? 1.6170 1.0530 1.5418 0.3524 0.1079 0.0842 215 SER H O 3581 C CB . SER A 239 ? 1.8117 1.1465 1.7094 0.3578 0.0542 0.1686 215 SER H CB 3582 O OG . SER A 239 ? 1.8283 1.2602 1.7689 0.3704 0.0414 0.1909 215 SER H OG 3588 N N . CYS A 240 ? 1.6400 1.1761 1.6277 0.3893 0.0843 0.1287 216 CYS H N 3589 C CA . CYS A 240 ? 1.6295 1.2506 1.6605 0.4230 0.1030 0.1070 216 CYS H CA 3590 C C . CYS A 240 ? 1.4765 1.2174 1.5474 0.3904 0.1067 0.1120 216 CYS H C 3591 O O . CYS A 240 ? 1.3986 1.1899 1.4785 0.3788 0.1290 0.0895 216 CYS H O 3592 C CB . CYS A 240 ? 1.7202 1.3557 1.7840 0.4911 0.0950 0.1137 216 CYS H CB 3593 S SG . CYS A 240 ? 2.1040 1.5867 2.1155 0.5382 0.0908 0.1062 216 CYS H SG 3599 N N . GLN B 1 ? 1.4340 1.4450 1.2647 -0.0131 -0.2132 0.0023 1 GLN L N 3600 C CA . GLN B 1 ? 1.3805 1.3307 1.1550 -0.0078 -0.2094 0.0210 1 GLN L CA 3601 C C . GLN B 1 ? 1.2006 1.1432 0.9850 0.0082 -0.2072 0.0271 1 GLN L C 3602 O O . GLN B 1 ? 1.1328 1.0311 0.8819 0.0086 -0.1956 0.0405 1 GLN L O 3603 C CB . GLN B 1 ? 1.4630 1.3870 1.2080 0.0006 -0.2278 0.0224 1 GLN L CB 3604 C CG . GLN B 1 ? 1.4754 1.3392 1.1643 -0.0042 -0.2142 0.0385 1 GLN L CG 3605 C CD . GLN B 1 ? 1.4033 1.2523 1.0706 -0.0260 -0.1832 0.0435 1 GLN L CD 3606 O OE1 . GLN B 1 ? 1.4354 1.2527 1.0776 -0.0316 -0.1638 0.0529 1 GLN L OE1 3607 N NE2 . GLN B 1 ? 1.3092 1.1823 0.9889 -0.0391 -0.1782 0.0349 1 GLN L NE2 3618 N N . SER B 2 ? 1.0863 1.0767 0.9260 0.0194 -0.2124 0.0139 2 SER L N 3619 C CA . SER B 2 ? 0.9489 0.9380 0.8045 0.0333 -0.2058 0.0163 2 SER L CA 3620 C C . SER B 2 ? 0.7410 0.7360 0.6046 0.0164 -0.1684 0.0220 2 SER L C 3621 O O . SER B 2 ? 0.6605 0.6912 0.5527 0.0018 -0.1510 0.0145 2 SER L O 3622 C CB . SER B 2 ? 0.9525 0.9950 0.8682 0.0532 -0.2226 -0.0043 2 SER L CB 3623 O OG . SER B 2 ? 0.9243 1.0282 0.8890 0.0390 -0.2106 -0.0214 2 SER L OG 3629 N N . ALA B 3 ? 0.6449 0.6018 0.4803 0.0177 -0.1576 0.0350 3 ALA L N 3630 C CA . ALA B 3 ? 0.5677 0.5258 0.4059 0.0043 -0.1264 0.0404 3 ALA L CA 3631 C C . ALA B 3 ? 0.5554 0.5627 0.4435 0.0035 -0.1128 0.0292 3 ALA L C 3632 O O . ALA B 3 ? 0.5688 0.6112 0.4932 0.0149 -0.1246 0.0159 3 ALA L O 3633 C CB . ALA B 3 ? 0.5129 0.4317 0.3235 0.0083 -0.1212 0.0510 3 ALA L CB 3639 N N . LEU B 4 ? 0.4874 0.4967 0.3754 -0.0100 -0.0884 0.0333 4 LEU L N 3640 C CA . LEU B 4 ? 0.4652 0.5092 0.3865 -0.0132 -0.0735 0.0260 4 LEU L CA 3641 C C . LEU B 4 ? 0.4566 0.5016 0.3890 0.0018 -0.0749 0.0241 4 LEU L C 3642 O O . LEU B 4 ? 0.4694 0.4796 0.3772 0.0087 -0.0797 0.0325 4 LEU L O 3643 C CB . LEU B 4 ? 0.4390 0.4727 0.3475 -0.0280 -0.0521 0.0329 4 LEU L CB 3644 C CG . LEU B 4 ? 0.4082 0.4295 0.2989 -0.0420 -0.0498 0.0349 4 LEU L CG 3645 C CD1 . LEU B 4 ? 0.3820 0.3869 0.2592 -0.0504 -0.0324 0.0407 4 LEU L CD1 3646 C CD2 . LEU B 4 ? 0.3477 0.3997 0.2608 -0.0511 -0.0550 0.0240 4 LEU L CD2 3658 N N . THR B 5 ? 0.4132 0.4965 0.3805 0.0048 -0.0695 0.0118 5 THR L N 3659 C CA . THR B 5 ? 0.3795 0.4664 0.3602 0.0205 -0.0718 0.0061 5 THR L CA 3660 C C . THR B 5 ? 0.3436 0.4243 0.3168 0.0134 -0.0515 0.0112 5 THR L C 3661 O O . THR B 5 ? 0.3558 0.4565 0.3359 0.0003 -0.0354 0.0091 5 THR L O 3662 C CB . THR B 5 ? 0.3724 0.5091 0.3982 0.0302 -0.0776 -0.0152 5 THR L CB 3663 O OG1 . THR B 5 ? 0.3625 0.5068 0.3987 0.0415 -0.1022 -0.0224 5 THR L OG1 3664 C CG2 . THR B 5 ? 0.3995 0.5381 0.4385 0.0476 -0.0790 -0.0237 5 THR L CG2 3672 N N . GLN B 6 ? 0.3184 0.3680 0.2738 0.0209 -0.0536 0.0176 6 GLN L N 3673 C CA . GLN B 6 ? 0.2889 0.3342 0.2395 0.0168 -0.0386 0.0198 6 GLN L CA 3674 C C . GLN B 6 ? 0.3036 0.3423 0.2614 0.0315 -0.0450 0.0124 6 GLN L C 3675 O O . GLN B 6 ? 0.3777 0.3999 0.3336 0.0451 -0.0625 0.0102 6 GLN L O 3676 C CB . GLN B 6 ? 0.3169 0.3305 0.2387 0.0073 -0.0322 0.0326 6 GLN L CB 3677 C CG . GLN B 6 ? 0.3624 0.3735 0.2730 -0.0044 -0.0279 0.0389 6 GLN L CG 3678 C CD . GLN B 6 ? 0.4316 0.4168 0.3191 -0.0112 -0.0212 0.0464 6 GLN L CD 3679 O OE1 . GLN B 6 ? 0.4865 0.4560 0.3567 -0.0168 -0.0230 0.0507 6 GLN L OE1 3680 N NE2 . GLN B 6 ? 0.4024 0.3867 0.2915 -0.0114 -0.0130 0.0455 6 GLN L NE2 3689 N N . PRO B 7 ? 0.3122 0.3591 0.2744 0.0298 -0.0331 0.0081 7 PRO L N 3690 C CA . PRO B 7 ? 0.3545 0.3886 0.3195 0.0426 -0.0387 0.0005 7 PRO L CA 3691 C C . PRO B 7 ? 0.4339 0.4203 0.3693 0.0405 -0.0446 0.0117 7 PRO L C 3692 O O . PRO B 7 ? 0.4515 0.4265 0.3699 0.0264 -0.0355 0.0217 7 PRO L O 3693 C CB . PRO B 7 ? 0.2937 0.3470 0.2642 0.0366 -0.0231 -0.0056 7 PRO L CB 3694 C CG . PRO B 7 ? 0.2695 0.3250 0.2267 0.0208 -0.0124 0.0055 7 PRO L CG 3695 C CD . PRO B 7 ? 0.2631 0.3249 0.2227 0.0168 -0.0165 0.0101 7 PRO L CD 3703 N N . ALA B 8 ? 0.4382 0.3958 0.3665 0.0537 -0.0593 0.0087 8 ALA L N 3704 C CA . ALA B 8 ? 0.4179 0.3225 0.3102 0.0475 -0.0643 0.0199 8 ALA L CA 3705 C C . ALA B 8 ? 0.4188 0.3168 0.3031 0.0324 -0.0482 0.0210 8 ALA L C 3706 O O . ALA B 8 ? 0.4696 0.3427 0.3297 0.0166 -0.0418 0.0301 8 ALA L O 3707 C CB . ALA B 8 ? 0.4201 0.2872 0.3018 0.0657 -0.0852 0.0159 8 ALA L CB 3713 N N . SER B 9 ? 0.4446 0.3681 0.3499 0.0364 -0.0413 0.0095 9 SER L N 3714 C CA . SER B 9 ? 0.5192 0.4361 0.4189 0.0252 -0.0310 0.0068 9 SER L CA 3715 C C . SER B 9 ? 0.4652 0.4217 0.3859 0.0270 -0.0219 -0.0037 9 SER L C 3716 O O . SER B 9 ? 0.4941 0.4721 0.4316 0.0391 -0.0237 -0.0141 9 SER L O 3717 C CB . SER B 9 ? 0.6447 0.5175 0.5278 0.0289 -0.0396 0.0030 9 SER L CB 3718 O OG . SER B 9 ? 0.7409 0.6077 0.6194 0.0149 -0.0298 -0.0014 9 SER L OG 3724 N N . VAL B 10 ? 0.4244 0.3908 0.3429 0.0147 -0.0124 -0.0024 11 VAL L N 3725 C CA . VAL B 10 ? 0.4338 0.4270 0.3612 0.0150 -0.0066 -0.0113 11 VAL L CA 3726 C C . VAL B 10 ? 0.4475 0.4349 0.3703 0.0045 -0.0037 -0.0148 11 VAL L C 3727 O O . VAL B 10 ? 0.4382 0.4096 0.3548 -0.0059 -0.0022 -0.0100 11 VAL L O 3728 C CB . VAL B 10 ? 0.3571 0.3776 0.2875 0.0129 -0.0013 -0.0062 11 VAL L CB 3729 C CG1 . VAL B 10 ? 0.3477 0.3797 0.2866 0.0191 -0.0026 -0.0055 11 VAL L CG1 3730 C CG2 . VAL B 10 ? 0.2992 0.3161 0.2233 0.0041 0.0005 0.0036 11 VAL L CG2 3740 N N . SER B 11 ? 0.3999 0.4028 0.3257 0.0057 -0.0025 -0.0250 12 SER L N 3741 C CA . SER B 11 ? 0.3650 0.3692 0.2909 -0.0036 -0.0022 -0.0318 12 SER L CA 3742 C C . SER B 11 ? 0.3649 0.3918 0.2894 -0.0005 -0.0035 -0.0400 12 SER L C 3743 O O . SER B 11 ? 0.3273 0.3628 0.2473 0.0067 -0.0017 -0.0432 12 SER L O 3744 C CB . SER B 11 ? 0.4228 0.3981 0.3444 -0.0087 -0.0038 -0.0398 12 SER L CB 3745 O OG . SER B 11 ? 0.4602 0.4302 0.3810 0.0022 -0.0067 -0.0502 12 SER L OG 3751 N N . GLY B 12 ? 0.3847 0.4224 0.3123 -0.0066 -0.0067 -0.0451 13 GLY L N 3752 C CA . GLY B 12 ? 0.3962 0.4503 0.3163 -0.0034 -0.0122 -0.0527 13 GLY L CA 3753 C C . GLY B 12 ? 0.3949 0.4605 0.3255 -0.0099 -0.0190 -0.0637 13 GLY L C 3754 O O . GLY B 12 ? 0.3866 0.4540 0.3328 -0.0181 -0.0167 -0.0644 13 GLY L O 3758 N N . SER B 13 ? 0.3653 0.4410 0.2870 -0.0075 -0.0270 -0.0743 14 SER L N 3759 C CA . SER B 13 ? 0.3669 0.4599 0.3018 -0.0125 -0.0368 -0.0884 14 SER L CA 3760 C C . SER B 13 ? 0.3394 0.4516 0.2839 -0.0060 -0.0462 -0.0844 14 SER L C 3761 O O . SER B 13 ? 0.3144 0.4204 0.2446 0.0030 -0.0471 -0.0700 14 SER L O 3762 C CB . SER B 13 ? 0.4861 0.5829 0.4036 -0.0099 -0.0458 -0.1010 14 SER L CB 3763 O OG . SER B 13 ? 0.6566 0.7356 0.5658 -0.0130 -0.0372 -0.1076 14 SER L OG 3769 N N . PRO B 14 ? 0.3453 0.4814 0.3157 -0.0107 -0.0534 -0.0993 15 PRO L N 3770 C CA . PRO B 14 ? 0.3703 0.5286 0.3542 0.0006 -0.0665 -0.1009 15 PRO L CA 3771 C C . PRO B 14 ? 0.4489 0.6002 0.4012 0.0171 -0.0849 -0.0950 15 PRO L C 3772 O O . PRO B 14 ? 0.4656 0.6156 0.4005 0.0169 -0.0935 -0.1030 15 PRO L O 3773 C CB . PRO B 14 ? 0.3235 0.5158 0.3439 -0.0083 -0.0721 -0.1251 15 PRO L CB 3774 C CG . PRO B 14 ? 0.2907 0.4703 0.3161 -0.0303 -0.0547 -0.1306 15 PRO L CG 3775 C CD . PRO B 14 ? 0.3237 0.4685 0.3140 -0.0269 -0.0503 -0.1179 15 PRO L CD 3783 N N . GLY B 15 ? 0.4629 0.6041 0.4019 0.0296 -0.0908 -0.0812 16 GLY L N 3784 C CA . GLY B 15 ? 0.4465 0.5689 0.3443 0.0426 -0.1079 -0.0723 16 GLY L CA 3785 C C . GLY B 15 ? 0.4417 0.5338 0.2993 0.0368 -0.0940 -0.0546 16 GLY L C 3786 O O . GLY B 15 ? 0.5232 0.5924 0.3380 0.0422 -0.1029 -0.0440 16 GLY L O 3790 N N . GLN B 16 ? 0.3835 0.4747 0.2535 0.0252 -0.0726 -0.0527 17 GLN L N 3791 C CA . GLN B 16 ? 0.3946 0.4677 0.2377 0.0199 -0.0581 -0.0413 17 GLN L CA 3792 C C . GLN B 16 ? 0.4519 0.5121 0.2900 0.0209 -0.0520 -0.0246 17 GLN L C 3793 O O . GLN B 16 ? 0.4917 0.5571 0.3539 0.0239 -0.0531 -0.0228 17 GLN L O 3794 C CB . GLN B 16 ? 0.3652 0.4423 0.2261 0.0115 -0.0421 -0.0487 17 GLN L CB 3795 C CG . GLN B 16 ? 0.3848 0.4534 0.2282 0.0081 -0.0275 -0.0430 17 GLN L CG 3796 C CD . GLN B 16 ? 0.4258 0.4963 0.2880 0.0056 -0.0168 -0.0533 17 GLN L CD 3797 O OE1 . GLN B 16 ? 0.4324 0.5036 0.3085 0.0040 -0.0204 -0.0652 17 GLN L OE1 3798 N NE2 . GLN B 16 ? 0.4374 0.5076 0.3001 0.0056 -0.0048 -0.0503 17 GLN L NE2 3807 N N . THR B 17 ? 0.4371 0.4815 0.2430 0.0162 -0.0442 -0.0144 18 THR L N 3808 C CA . THR B 17 ? 0.3943 0.4261 0.1943 0.0131 -0.0363 -0.0001 18 THR L CA 3809 C C . THR B 17 ? 0.3661 0.4088 0.1888 0.0059 -0.0183 -0.0015 18 THR L C 3810 O O . THR B 17 ? 0.3930 0.4446 0.2164 0.0022 -0.0097 -0.0103 18 THR L O 3811 C CB . THR B 17 ? 0.4382 0.4449 0.1879 0.0076 -0.0367 0.0111 18 THR L CB 3812 O OG1 . THR B 17 ? 0.4855 0.4727 0.2091 0.0181 -0.0589 0.0148 18 THR L OG1 3813 C CG2 . THR B 17 ? 0.4256 0.4205 0.1705 -0.0006 -0.0253 0.0235 18 THR L CG2 3821 N N . ILE B 18 ? 0.3615 0.4028 0.2023 0.0057 -0.0145 0.0054 19 ILE L N 3822 C CA . ILE B 18 ? 0.3706 0.4192 0.2298 0.0014 -0.0023 0.0050 19 ILE L CA 3823 C C . ILE B 18 ? 0.3724 0.4132 0.2283 -0.0026 0.0014 0.0165 19 ILE L C 3824 O O . ILE B 18 ? 0.3774 0.4047 0.2227 -0.0004 -0.0054 0.0240 19 ILE L O 3825 C CB . ILE B 18 ? 0.3817 0.4349 0.2691 0.0040 -0.0029 -0.0014 19 ILE L CB 3826 C CG1 . ILE B 18 ? 0.4414 0.4906 0.3391 0.0050 -0.0072 0.0031 19 ILE L CG1 3827 C CG2 . ILE B 18 ? 0.3687 0.4268 0.2593 0.0053 -0.0065 -0.0142 19 ILE L CG2 3828 C CD1 . ILE B 18 ? 0.4626 0.5097 0.3786 0.0015 -0.0037 -0.0003 19 ILE L CD1 3840 N N . THR B 19 ? 0.3727 0.4224 0.2392 -0.0071 0.0108 0.0155 20 THR L N 3841 C CA . THR B 19 ? 0.3759 0.4214 0.2407 -0.0133 0.0145 0.0239 20 THR L CA 3842 C C . THR B 19 ? 0.3913 0.4466 0.2822 -0.0109 0.0158 0.0209 20 THR L C 3843 O O . THR B 19 ? 0.3819 0.4491 0.2888 -0.0060 0.0168 0.0114 20 THR L O 3844 C CB . THR B 19 ? 0.4251 0.4732 0.2691 -0.0259 0.0245 0.0248 20 THR L CB 3845 O OG1 . THR B 19 ? 0.4197 0.4479 0.2276 -0.0285 0.0205 0.0303 20 THR L OG1 3846 C CG2 . THR B 19 ? 0.4509 0.4949 0.2944 -0.0356 0.0286 0.0317 20 THR L CG2 3854 N N . ILE B 20 ? 0.4480 0.4946 0.3403 -0.0130 0.0137 0.0284 21 ILE L N 3855 C CA . ILE B 20 ? 0.4671 0.5180 0.3765 -0.0110 0.0117 0.0273 21 ILE L CA 3856 C C . ILE B 20 ? 0.4544 0.5108 0.3626 -0.0200 0.0149 0.0301 21 ILE L C 3857 O O . ILE B 20 ? 0.4531 0.4952 0.3443 -0.0269 0.0160 0.0377 21 ILE L O 3858 C CB . ILE B 20 ? 0.5064 0.5404 0.4154 -0.0081 0.0064 0.0319 21 ILE L CB 3859 C CG1 . ILE B 20 ? 0.5312 0.5613 0.4408 -0.0044 0.0052 0.0279 21 ILE L CG1 3860 C CG2 . ILE B 20 ? 0.5296 0.5602 0.4467 -0.0053 0.0015 0.0314 21 ILE L CG2 3861 C CD1 . ILE B 20 ? 0.5564 0.5751 0.4659 -0.0063 0.0046 0.0295 21 ILE L CD1 3873 N N . SER B 21 ? 0.4215 0.4987 0.3490 -0.0195 0.0151 0.0221 22 SER L N 3874 C CA . SER B 21 ? 0.4482 0.5382 0.3805 -0.0305 0.0185 0.0210 22 SER L CA 3875 C C . SER B 21 ? 0.4848 0.5688 0.4246 -0.0266 0.0078 0.0235 22 SER L C 3876 O O . SER B 21 ? 0.5040 0.5774 0.4469 -0.0149 -0.0017 0.0241 22 SER L O 3877 C CB . SER B 21 ? 0.4684 0.5950 0.4223 -0.0339 0.0261 0.0057 22 SER L CB 3878 O OG . SER B 21 ? 0.5246 0.6662 0.5046 -0.0170 0.0171 -0.0054 22 SER L OG 3884 N N . CYS B 22 ? 0.4749 0.5616 0.4123 -0.0387 0.0094 0.0249 23 CYS L N 3885 C CA . CYS B 22 ? 0.4194 0.4987 0.3581 -0.0373 -0.0012 0.0270 23 CYS L CA 3886 C C . CYS B 22 ? 0.3937 0.5011 0.3506 -0.0481 -0.0012 0.0174 23 CYS L C 3887 O O . CYS B 22 ? 0.4086 0.5113 0.3543 -0.0654 0.0065 0.0197 23 CYS L O 3888 C CB . CYS B 22 ? 0.4180 0.4643 0.3304 -0.0419 -0.0004 0.0382 23 CYS L CB 3889 S SG . CYS B 22 ? 0.6171 0.6498 0.5220 -0.0430 -0.0111 0.0401 23 CYS L SG 3894 N N . GLN B 23 ? 0.3647 0.5005 0.3503 -0.0377 -0.0110 0.0050 24 GLN L N 3895 C CA . GLN B 23 ? 0.3757 0.5513 0.3899 -0.0465 -0.0120 -0.0101 24 GLN L CA 3896 C C . GLN B 23 ? 0.3674 0.5344 0.3773 -0.0489 -0.0265 -0.0082 24 GLN L C 3897 O O . GLN B 23 ? 0.3638 0.5097 0.3639 -0.0335 -0.0435 -0.0028 24 GLN L O 3898 C CB . GLN B 23 ? 0.4616 0.6767 0.5144 -0.0299 -0.0191 -0.0288 24 GLN L CB 3899 C CG . GLN B 23 ? 0.6202 0.8827 0.7128 -0.0306 -0.0286 -0.0490 24 GLN L CG 3900 C CD . GLN B 23 ? 0.8146 1.1214 0.9286 -0.0558 -0.0067 -0.0642 24 GLN L CD 3901 O OE1 . GLN B 23 ? 0.9725 1.2645 1.0632 -0.0816 0.0070 -0.0555 24 GLN L OE1 3902 N NE2 . GLN B 23 ? 0.8074 1.1668 0.9639 -0.0494 -0.0026 -0.0884 24 GLN L NE2 3911 N N . GLY B 24 ? 0.3386 0.5187 0.3514 -0.0704 -0.0192 -0.0128 25 GLY L N 3912 C CA . GLY B 24 ? 0.2938 0.4665 0.3009 -0.0759 -0.0320 -0.0129 25 GLY L CA 3913 C C . GLY B 24 ? 0.3114 0.5302 0.3508 -0.0931 -0.0311 -0.0317 25 GLY L C 3914 O O . GLY B 24 ? 0.2869 0.5545 0.3650 -0.0925 -0.0271 -0.0495 25 GLY L O 3918 N N . THR B 25 ? 0.3484 0.5541 0.3740 -0.1095 -0.0341 -0.0305 26 THR L N 3919 C CA . THR B 25 ? 0.3553 0.6039 0.4107 -0.1306 -0.0333 -0.0497 26 THR L CA 3920 C C . THR B 25 ? 0.3612 0.5782 0.3852 -0.1613 -0.0185 -0.0428 26 THR L C 3921 O O . THR B 25 ? 0.3892 0.5512 0.3704 -0.1608 -0.0130 -0.0240 26 THR L O 3922 C CB . THR B 25 ? 0.3439 0.6137 0.4198 -0.1170 -0.0621 -0.0615 26 THR L CB 3923 O OG1 . THR B 25 ? 0.3928 0.6184 0.4302 -0.1237 -0.0698 -0.0502 26 THR L OG1 3924 C CG2 . THR B 25 ? 0.3035 0.5730 0.3874 -0.0818 -0.0829 -0.0600 26 THR L CG2 3932 N N . SER B 26 ? 0.3501 0.6017 0.3967 -0.1879 -0.0128 -0.0599 27 SER L N 3933 C CA . SER B 26 ? 0.4203 0.6381 0.4353 -0.2211 0.0017 -0.0551 27 SER L CA 3934 C C . SER B 26 ? 0.4903 0.6622 0.4732 -0.2177 -0.0134 -0.0462 27 SER L C 3935 O O . SER B 26 ? 0.5579 0.6876 0.5069 -0.2397 -0.0042 -0.0401 27 SER L O 3936 C CB . SER B 26 ? 0.4164 0.6872 0.4664 -0.2547 0.0128 -0.0789 27 SER L CB 3937 O OG . SER B 26 ? 0.4237 0.7444 0.5168 -0.2470 -0.0095 -0.0995 27 SER L OG 3943 N N . SER B 27 A 0.4688 0.6447 0.4579 -0.1907 -0.0364 -0.0461 27 SER L N 3944 C CA . SER B 27 A 0.5047 0.6393 0.4606 -0.1871 -0.0499 -0.0395 27 SER L CA 3945 C C . SER B 27 A 0.5293 0.6090 0.4445 -0.1688 -0.0462 -0.0190 27 SER L C 3946 O O . SER B 27 A 0.5984 0.6414 0.4828 -0.1656 -0.0529 -0.0141 27 SER L O 3947 C CB . SER B 27 A 0.5260 0.6898 0.5019 -0.1711 -0.0779 -0.0510 27 SER L CB 3948 O OG . SER B 27 A 0.5745 0.7913 0.5903 -0.1891 -0.0841 -0.0740 27 SER L OG 3954 N N . ASP B 28 B 0.4775 0.5552 0.3943 -0.1578 -0.0351 -0.0097 27 ASP L N 3955 C CA . ASP B 28 B 0.4833 0.5175 0.3689 -0.1416 -0.0309 0.0064 27 ASP L CA 3956 C C . ASP B 28 B 0.4999 0.5189 0.3760 -0.1457 -0.0132 0.0150 27 ASP L C 3957 O O . ASP B 28 B 0.5580 0.5421 0.4081 -0.1597 -0.0044 0.0197 27 ASP L O 3958 C CB . ASP B 28 B 0.4754 0.5164 0.3664 -0.1160 -0.0433 0.0100 27 ASP L CB 3959 C CG . ASP B 28 B 0.5072 0.5956 0.4372 -0.1071 -0.0509 0.0004 27 ASP L CG 3960 O OD1 . ASP B 28 B 0.5088 0.6085 0.4509 -0.1011 -0.0409 0.0025 27 ASP L OD1 3961 O OD2 . ASP B 28 B 0.5245 0.6392 0.4733 -0.1042 -0.0685 -0.0111 27 ASP L OD2 3966 N N . VAL B 29 C 0.4475 0.4878 0.3405 -0.1328 -0.0101 0.0169 27 VAL L N 3967 C CA . VAL B 29 C 0.4566 0.4814 0.3363 -0.1341 0.0037 0.0253 27 VAL L CA 3968 C C . VAL B 29 C 0.4617 0.4850 0.3332 -0.1622 0.0178 0.0225 27 VAL L C 3969 O O . VAL B 29 C 0.5294 0.5138 0.3683 -0.1686 0.0261 0.0328 27 VAL L O 3970 C CB . VAL B 29 C 0.4561 0.5096 0.3580 -0.1177 0.0042 0.0240 27 VAL L CB 3971 C CG1 . VAL B 29 C 0.3846 0.4289 0.2729 -0.1238 0.0185 0.0294 27 VAL L CG1 3972 C CG2 . VAL B 29 C 0.5006 0.5395 0.3975 -0.0942 -0.0059 0.0304 27 VAL L CG2 3982 N N . GLY B 30 ? 0.4261 0.4905 0.3253 -0.1796 0.0197 0.0078 28 GLY L N 3983 C CA . GLY B 30 ? 0.4636 0.5305 0.3554 -0.2128 0.0364 0.0027 28 GLY L CA 3984 C C . GLY B 30 ? 0.5572 0.5924 0.4266 -0.2357 0.0356 0.0019 28 GLY L C 3985 O O . GLY B 30 ? 0.6113 0.6507 0.4764 -0.2689 0.0490 -0.0052 28 GLY L O 3989 N N . GLY B 31 ? 0.5893 0.5917 0.4423 -0.2204 0.0216 0.0078 29 GLY L N 3990 C CA . GLY B 31 ? 0.6058 0.5755 0.4368 -0.2392 0.0190 0.0051 29 GLY L CA 3991 C C . GLY B 31 ? 0.6060 0.5036 0.3889 -0.2321 0.0182 0.0192 29 GLY L C 3992 O O . GLY B 31 ? 0.6300 0.4880 0.3864 -0.2499 0.0185 0.0177 29 GLY L O 3996 N N . PHE B 32 ? 0.5790 0.4605 0.3528 -0.2054 0.0162 0.0304 30 PHE L N 3997 C CA . PHE B 32 ? 0.6443 0.4655 0.3808 -0.1923 0.0128 0.0399 30 PHE L CA 3998 C C . PHE B 32 ? 0.6576 0.4676 0.3850 -0.1742 0.0150 0.0510 30 PHE L C 3999 O O . PHE B 32 ? 0.6490 0.4996 0.4014 -0.1658 0.0177 0.0511 30 PHE L O 4000 C CB . PHE B 32 ? 0.6591 0.4768 0.3993 -0.1720 0.0022 0.0353 30 PHE L CB 4001 C CG . PHE B 32 ? 0.6863 0.5182 0.4346 -0.1864 -0.0034 0.0236 30 PHE L CG 4002 C CD1 . PHE B 32 ? 0.7030 0.4929 0.4243 -0.2013 -0.0045 0.0190 30 PHE L CD1 4003 C CD2 . PHE B 32 ? 0.6346 0.5184 0.4151 -0.1837 -0.0103 0.0162 30 PHE L CD2 4004 C CE1 . PHE B 32 ? 0.6589 0.4626 0.3866 -0.2154 -0.0112 0.0066 30 PHE L CE1 4005 C CE2 . PHE B 32 ? 0.6005 0.4976 0.3869 -0.1954 -0.0194 0.0046 30 PHE L CE2 4006 C CZ . PHE B 32 ? 0.6076 0.4667 0.3681 -0.2123 -0.0193 -0.0006 30 PHE L CZ 4016 N N . ASP B 33 ? 0.7115 0.4647 0.4027 -0.1664 0.0116 0.0587 31 ASP L N 4017 C CA . ASP B 33 ? 0.7549 0.4988 0.4415 -0.1427 0.0080 0.0655 31 ASP L CA 4018 C C . ASP B 33 ? 0.6982 0.4437 0.3957 -0.1150 0.0000 0.0626 31 ASP L C 4019 O O . ASP B 33 ? 0.7289 0.4398 0.4096 -0.0964 -0.0075 0.0641 31 ASP L O 4020 C CB . ASP B 33 ? 0.8755 0.5664 0.5268 -0.1424 0.0039 0.0696 31 ASP L CB 4021 C CG . ASP B 33 ? 1.0151 0.7076 0.6559 -0.1696 0.0136 0.0691 31 ASP L CG 4022 O OD1 . ASP B 33 ? 1.0262 0.7628 0.6886 -0.1776 0.0229 0.0676 31 ASP L OD1 4023 O OD2 . ASP B 33 ? 1.1246 0.7731 0.7334 -0.1834 0.0125 0.0689 31 ASP L OD2 4028 N N . SER B 34 ? 0.6323 0.4211 0.3608 -0.1110 0.0008 0.0555 32 SER L N 4029 C CA . SER B 34 ? 0.5985 0.3934 0.3378 -0.0905 -0.0031 0.0492 32 SER L CA 4030 C C . SER B 34 ? 0.5402 0.3791 0.3074 -0.0806 -0.0015 0.0491 32 SER L C 4031 O O . SER B 34 ? 0.5597 0.4160 0.3370 -0.0778 -0.0025 0.0440 32 SER L O 4032 C CB . SER B 34 ? 0.6008 0.3894 0.3354 -0.0988 -0.0048 0.0405 32 SER L CB 4033 O OG . SER B 34 ? 0.6559 0.4013 0.3637 -0.1117 -0.0062 0.0395 32 SER L OG 4039 N N . VAL B 35 ? 0.5092 0.3610 0.2835 -0.0764 0.0004 0.0549 33 VAL L N 4040 C CA . VAL B 35 ? 0.4795 0.3664 0.2775 -0.0668 0.0014 0.0544 33 VAL L CA 4041 C C . VAL B 35 ? 0.4914 0.3741 0.2923 -0.0481 0.0002 0.0528 33 VAL L C 4042 O O . VAL B 35 ? 0.5773 0.4420 0.3677 -0.0408 -0.0028 0.0553 33 VAL L O 4043 C CB . VAL B 35 ? 0.4626 0.3719 0.2703 -0.0737 0.0050 0.0578 33 VAL L CB 4044 C CG1 . VAL B 35 ? 0.3423 0.2795 0.1713 -0.0612 0.0047 0.0564 33 VAL L CG1 4045 C CG2 . VAL B 35 ? 0.5034 0.4304 0.3191 -0.0923 0.0071 0.0541 33 VAL L CG2 4055 N N . SER B 36 ? 0.4130 0.3116 0.2264 -0.0416 0.0018 0.0477 34 SER L N 4056 C CA . SER B 36 ? 0.4127 0.3162 0.2350 -0.0276 0.0033 0.0421 34 SER L CA 4057 C C . SER B 36 ? 0.3948 0.3237 0.2331 -0.0264 0.0062 0.0426 34 SER L C 4058 O O . SER B 36 ? 0.3932 0.3308 0.2328 -0.0333 0.0060 0.0457 34 SER L O 4059 C CB . SER B 36 ? 0.4164 0.3114 0.2350 -0.0245 0.0067 0.0318 34 SER L CB 4060 O OG . SER B 36 ? 0.4228 0.3225 0.2354 -0.0351 0.0099 0.0315 34 SER L OG 4066 N N . TRP B 37 ? 0.3956 0.3343 0.2457 -0.0166 0.0068 0.0383 35 TRP L N 4067 C CA . TRP B 37 ? 0.4077 0.3656 0.2709 -0.0168 0.0098 0.0376 35 TRP L CA 4068 C C . TRP B 37 ? 0.3910 0.3586 0.2643 -0.0148 0.0166 0.0265 35 TRP L C 4069 O O . TRP B 37 ? 0.4112 0.3816 0.2926 -0.0059 0.0162 0.0168 35 TRP L O 4070 C CB . TRP B 37 ? 0.4076 0.3733 0.2767 -0.0112 0.0054 0.0403 35 TRP L CB 4071 C CG . TRP B 37 ? 0.3813 0.3444 0.2422 -0.0175 0.0036 0.0484 35 TRP L CG 4072 C CD1 . TRP B 37 ? 0.3900 0.3368 0.2347 -0.0218 0.0015 0.0533 35 TRP L CD1 4073 C CD2 . TRP B 37 ? 0.3004 0.2787 0.1694 -0.0215 0.0048 0.0499 35 TRP L CD2 4074 N NE1 . TRP B 37 ? 0.3635 0.3202 0.2081 -0.0313 0.0043 0.0566 35 TRP L NE1 4075 C CE2 . TRP B 37 ? 0.3388 0.3175 0.2013 -0.0289 0.0055 0.0534 35 TRP L CE2 4076 C CE3 . TRP B 37 ? 0.2622 0.2512 0.1422 -0.0197 0.0051 0.0474 35 TRP L CE3 4077 C CZ2 . TRP B 37 ? 0.3425 0.3410 0.2162 -0.0326 0.0073 0.0512 35 TRP L CZ2 4078 C CZ3 . TRP B 37 ? 0.2932 0.2942 0.1809 -0.0203 0.0037 0.0470 35 TRP L CZ3 4079 C CH2 . TRP B 37 ? 0.3137 0.3239 0.2019 -0.0257 0.0052 0.0474 35 TRP L CH2 4090 N N . TYR B 38 ? 0.3424 0.3143 0.2144 -0.0236 0.0227 0.0265 36 TYR L N 4091 C CA . TYR B 38 ? 0.3678 0.3493 0.2460 -0.0289 0.0336 0.0152 36 TYR L CA 4092 C C . TYR B 38 ? 0.4059 0.3968 0.2926 -0.0337 0.0362 0.0145 36 TYR L C 4093 O O . TYR B 38 ? 0.4494 0.4301 0.3272 -0.0361 0.0312 0.0243 36 TYR L O 4094 C CB . TYR B 38 ? 0.3794 0.3456 0.2345 -0.0414 0.0411 0.0156 36 TYR L CB 4095 C CG . TYR B 38 ? 0.4019 0.3567 0.2466 -0.0383 0.0384 0.0146 36 TYR L CG 4096 C CD1 . TYR B 38 ? 0.4222 0.3629 0.2545 -0.0385 0.0280 0.0257 36 TYR L CD1 4097 C CD2 . TYR B 38 ? 0.4091 0.3691 0.2591 -0.0355 0.0464 -0.0003 36 TYR L CD2 4098 C CE1 . TYR B 38 ? 0.4801 0.4079 0.3016 -0.0385 0.0256 0.0237 36 TYR L CE1 4099 C CE2 . TYR B 38 ? 0.4554 0.3998 0.2935 -0.0324 0.0433 -0.0025 36 TYR L CE2 4100 C CZ . TYR B 38 ? 0.5086 0.4347 0.3308 -0.0351 0.0328 0.0105 36 TYR L CZ 4101 O OH . TYR B 38 ? 0.5836 0.4918 0.3927 -0.0349 0.0299 0.0073 36 TYR L OH 4111 N N . GLN B 39 ? 0.3839 0.3958 0.2904 -0.0344 0.0434 0.0003 37 GLN L N 4112 C CA . GLN B 39 ? 0.4047 0.4249 0.3191 -0.0429 0.0477 -0.0033 37 GLN L CA 4113 C C . GLN B 39 ? 0.3648 0.3820 0.2689 -0.0632 0.0647 -0.0108 37 GLN L C 4114 O O . GLN B 39 ? 0.3846 0.4147 0.2945 -0.0670 0.0755 -0.0235 37 GLN L O 4115 C CB . GLN B 39 ? 0.4238 0.4731 0.3689 -0.0324 0.0429 -0.0162 37 GLN L CB 4116 C CG . GLN B 39 ? 0.5050 0.5638 0.4596 -0.0428 0.0468 -0.0219 37 GLN L CG 4117 C CD . GLN B 39 ? 0.5616 0.6555 0.5496 -0.0344 0.0420 -0.0396 37 GLN L CD 4118 O OE1 . GLN B 39 ? 0.5096 0.6174 0.5120 -0.0170 0.0327 -0.0462 37 GLN L OE1 4119 N NE2 . GLN B 39 ? 0.6325 0.7382 0.6317 -0.0461 0.0463 -0.0482 37 GLN L NE2 4128 N N . GLN B 40 ? 0.3861 0.3831 0.2716 -0.0771 0.0677 -0.0039 38 GLN L N 4129 C CA . GLN B 40 ? 0.4763 0.4604 0.3409 -0.1018 0.0850 -0.0087 38 GLN L CA 4130 C C . GLN B 40 ? 0.5104 0.5016 0.3859 -0.1153 0.0918 -0.0169 38 GLN L C 4131 O O . GLN B 40 ? 0.5104 0.4748 0.3700 -0.1169 0.0837 -0.0063 38 GLN L O 4132 C CB . GLN B 40 ? 0.4890 0.4256 0.3058 -0.1097 0.0806 0.0093 38 GLN L CB 4133 C CG . GLN B 40 ? 0.5260 0.4403 0.3091 -0.1361 0.0977 0.0063 38 GLN L CG 4134 C CD . GLN B 40 ? 0.5482 0.4153 0.2915 -0.1345 0.0827 0.0220 38 GLN L CD 4135 O OE1 . GLN B 40 ? 0.5560 0.4031 0.2906 -0.1208 0.0642 0.0356 38 GLN L OE1 4136 N NE2 . GLN B 40 ? 0.5546 0.4065 0.2748 -0.1479 0.0902 0.0179 38 GLN L NE2 4145 N N . SER B 41 ? 0.5996 0.6291 0.5052 -0.1245 0.1060 -0.0386 39 SER L N 4146 C CA . SER B 41 ? 0.7323 0.7741 0.6517 -0.1422 0.1149 -0.0507 39 SER L CA 4147 C C . SER B 41 ? 0.8193 0.8235 0.6956 -0.1760 0.1334 -0.0467 39 SER L C 4148 O O . SER B 41 ? 0.8703 0.8580 0.7212 -0.1836 0.1410 -0.0444 39 SER L O 4149 C CB . SER B 41 ? 0.7758 0.8783 0.7470 -0.1408 0.1230 -0.0792 39 SER L CB 4150 O OG . SER B 41 ? 0.7882 0.9156 0.7896 -0.1086 0.1031 -0.0813 39 SER L OG 4156 N N . PRO B 42 ? 0.8380 0.8220 0.7035 -0.1933 0.1359 -0.0460 40 PRO L N 4157 C CA . PRO B 42 ? 0.8687 0.8069 0.6906 -0.2176 0.1439 -0.0427 40 PRO L CA 4158 C C . PRO B 42 ? 0.8927 0.8577 0.7243 -0.2341 0.1626 -0.0637 40 PRO L C 4159 O O . PRO B 42 ? 0.8139 0.8318 0.6909 -0.2399 0.1734 -0.0881 40 PRO L O 4160 C CB . PRO B 42 ? 0.8617 0.7878 0.6847 -0.2311 0.1439 -0.0462 40 PRO L CB 4161 C CG . PRO B 42 ? 0.8232 0.8070 0.7039 -0.2179 0.1400 -0.0599 40 PRO L CG 4162 C CD . PRO B 42 ? 0.8116 0.8105 0.7055 -0.1828 0.1231 -0.0507 40 PRO L CD 4170 N N . GLY B 43 ? 1.0018 0.9329 0.7931 -0.2405 0.1649 -0.0561 41 GLY L N 4171 C CA . GLY B 43 ? 1.0507 1.0011 0.8442 -0.2591 0.1840 -0.0758 41 GLY L CA 4172 C C . GLY B 43 ? 0.9945 0.9825 0.8153 -0.2436 0.1866 -0.0846 41 GLY L C 4173 O O . GLY B 43 ? 1.0611 1.0423 0.8632 -0.2547 0.1968 -0.0908 41 GLY L O 4177 N N . LYS B 44 ? 0.8647 0.8898 0.7266 -0.2185 0.1775 -0.0859 42 LYS L N 4178 C CA . LYS B 44 ? 0.8165 0.8788 0.7073 -0.2011 0.1794 -0.0974 42 LYS L CA 4179 C C . LYS B 44 ? 0.7263 0.7532 0.5832 -0.1858 0.1671 -0.0753 42 LYS L C 4180 O O . LYS B 44 ? 0.7365 0.7201 0.5596 -0.1818 0.1525 -0.0513 42 LYS L O 4181 C CB . LYS B 44 ? 0.8759 0.9951 0.8260 -0.1793 0.1738 -0.1128 42 LYS L CB 4182 C CG . LYS B 44 ? 1.0142 1.1771 1.0071 -0.1900 0.1810 -0.1381 42 LYS L CG 4183 C CD . LYS B 44 ? 1.1071 1.3242 1.1580 -0.1627 0.1682 -0.1529 42 LYS L CD 4184 C CE . LYS B 44 ? 1.2172 1.4756 1.3094 -0.1719 0.1697 -0.1772 42 LYS L CE 4185 N NZ . LYS B 44 ? 1.2253 1.5287 1.3678 -0.1424 0.1497 -0.1881 42 LYS L NZ 4199 N N . ALA B 45 ? 0.6519 0.6985 0.5199 -0.1762 0.1716 -0.0858 43 ALA L N 4200 C CA . ALA B 45 ? 0.6314 0.6504 0.4719 -0.1616 0.1600 -0.0691 43 ALA L CA 4201 C C . ALA B 45 ? 0.5480 0.5791 0.4067 -0.1369 0.1461 -0.0617 43 ALA L C 4202 O O . ALA B 45 ? 0.4994 0.5670 0.4026 -0.1244 0.1419 -0.0739 43 ALA L O 4203 C CB . ALA B 45 ? 0.6727 0.7077 0.5180 -0.1607 0.1710 -0.0859 43 ALA L CB 4209 N N . PRO B 46 ? 0.5444 0.5421 0.3750 -0.1251 0.1294 -0.0411 44 PRO L N 4210 C CA . PRO B 46 ? 0.5298 0.5316 0.3827 -0.0975 0.1062 -0.0317 44 PRO L CA 4211 C C . PRO B 46 ? 0.4843 0.5200 0.3771 -0.0774 0.1038 -0.0498 44 PRO L C 4212 O O . PRO B 46 ? 0.4835 0.5384 0.3863 -0.0809 0.1182 -0.0700 44 PRO L O 4213 C CB . PRO B 46 ? 0.5397 0.5051 0.3559 -0.0947 0.0941 -0.0133 44 PRO L CB 4214 C CG . PRO B 46 ? 0.5517 0.4854 0.3262 -0.1162 0.1009 -0.0055 44 PRO L CG 4215 C CD . PRO B 46 ? 0.5715 0.5246 0.3565 -0.1331 0.1225 -0.0251 44 PRO L CD 4223 N N . LYS B 47 ? 0.4347 0.4750 0.3471 -0.0562 0.0850 -0.0435 45 LYS L N 4224 C CA . LYS B 47 ? 0.4359 0.4992 0.3807 -0.0341 0.0770 -0.0586 45 LYS L CA 4225 C C . LYS B 47 ? 0.3353 0.3773 0.2726 -0.0161 0.0556 -0.0418 45 LYS L C 4226 O O . LYS B 47 ? 0.2881 0.3232 0.2209 -0.0160 0.0469 -0.0277 45 LYS L O 4227 C CB . LYS B 47 ? 0.5394 0.6427 0.5236 -0.0315 0.0795 -0.0771 45 LYS L CB 4228 C CG . LYS B 47 ? 0.6893 0.8152 0.7075 -0.0039 0.0641 -0.0925 45 LYS L CG 4229 C CD . LYS B 47 ? 0.7891 0.9533 0.8438 -0.0013 0.0608 -0.1075 45 LYS L CD 4230 C CE . LYS B 47 ? 0.8232 1.0028 0.9055 0.0303 0.0378 -0.1196 45 LYS L CE 4231 N NZ . LYS B 47 ? 0.8025 1.0165 0.9162 0.0338 0.0292 -0.1317 45 LYS L NZ 4245 N N . VAL B 48 ? 0.3296 0.3586 0.2626 -0.0029 0.0486 -0.0444 46 VAL L N 4246 C CA . VAL B 48 ? 0.3818 0.3857 0.3021 0.0098 0.0307 -0.0294 46 VAL L CA 4247 C C . VAL B 48 ? 0.3797 0.3944 0.3173 0.0253 0.0168 -0.0304 46 VAL L C 4248 O O . VAL B 48 ? 0.3837 0.4230 0.3489 0.0380 0.0139 -0.0490 46 VAL L O 4249 C CB . VAL B 48 ? 0.4784 0.4595 0.3878 0.0204 0.0251 -0.0339 46 VAL L CB 4250 C CG1 . VAL B 48 ? 0.6307 0.5918 0.5131 0.0046 0.0330 -0.0265 46 VAL L CG1 4251 C CG2 . VAL B 48 ? 0.4442 0.4467 0.3808 0.0358 0.0275 -0.0603 46 VAL L CG2 4261 N N . MET B 49 ? 0.3755 0.3736 0.2965 0.0239 0.0077 -0.0123 47 MET L N 4262 C CA . MET B 49 ? 0.4461 0.4461 0.3713 0.0365 -0.0066 -0.0102 47 MET L CA 4263 C C . MET B 49 ? 0.4644 0.4273 0.3609 0.0435 -0.0196 0.0029 47 MET L C 4264 O O . MET B 49 ? 0.5111 0.4624 0.4028 0.0598 -0.0353 0.0010 47 MET L O 4265 C CB . MET B 49 ? 0.4684 0.4800 0.3947 0.0258 -0.0033 -0.0022 47 MET L CB 4266 C CG . MET B 49 ? 0.4439 0.4799 0.3882 0.0133 0.0107 -0.0118 47 MET L CG 4267 S SD . MET B 49 ? 0.5642 0.6386 0.5470 0.0216 0.0124 -0.0388 47 MET L SD 4268 C CE . MET B 49 ? 0.5995 0.6846 0.5919 0.0350 -0.0060 -0.0397 47 MET L CE 4278 N N . VAL B 50 ? 0.4354 0.3776 0.3101 0.0299 -0.0139 0.0155 48 VAL L N 4279 C CA . VAL B 50 ? 0.4368 0.3421 0.2810 0.0290 -0.0221 0.0276 48 VAL L CA 4280 C C . VAL B 50 ? 0.4758 0.3640 0.3071 0.0171 -0.0153 0.0303 48 VAL L C 4281 O O . VAL B 50 ? 0.5253 0.4298 0.3637 0.0049 -0.0053 0.0308 48 VAL L O 4282 C CB . VAL B 50 ? 0.4430 0.3465 0.2728 0.0185 -0.0221 0.0412 48 VAL L CB 4283 C CG1 . VAL B 50 ? 0.4402 0.3057 0.2350 0.0097 -0.0255 0.0531 48 VAL L CG1 4284 C CG2 . VAL B 50 ? 0.4429 0.3592 0.2794 0.0297 -0.0305 0.0383 48 VAL L CG2 4294 N N . PHE B 51 ? 0.4739 0.3254 0.2831 0.0212 -0.0229 0.0318 49 PHE L N 4295 C CA . PHE B 51 ? 0.5325 0.3641 0.3261 0.0079 -0.0179 0.0339 49 PHE L CA 4296 C C . PHE B 51 ? 0.5791 0.3678 0.3381 -0.0010 -0.0243 0.0457 49 PHE L C 4297 O O . PHE B 51 ? 0.6287 0.3940 0.3699 0.0071 -0.0344 0.0516 49 PHE L O 4298 C CB . PHE B 51 ? 0.5549 0.3814 0.3553 0.0182 -0.0168 0.0181 49 PHE L CB 4299 C CG . PHE B 51 ? 0.5526 0.3471 0.3438 0.0394 -0.0308 0.0109 49 PHE L CG 4300 C CD1 . PHE B 51 ? 0.5629 0.3089 0.3244 0.0378 -0.0372 0.0129 49 PHE L CD1 4301 C CD2 . PHE B 51 ? 0.5785 0.3898 0.3907 0.0616 -0.0396 0.0005 49 PHE L CD2 4302 C CE1 . PHE B 51 ? 0.6377 0.3457 0.3867 0.0605 -0.0536 0.0062 49 PHE L CE1 4303 C CE2 . PHE B 51 ? 0.6296 0.4101 0.4342 0.0859 -0.0573 -0.0078 49 PHE L CE2 4304 C CZ . PHE B 51 ? 0.6696 0.3950 0.4407 0.0865 -0.0650 -0.0043 49 PHE L CZ 4314 N N . ASP B 52 ? 0.5819 0.3585 0.3284 -0.0196 -0.0188 0.0487 50 ASP L N 4315 C CA . ASP B 52 ? 0.6320 0.3697 0.3450 -0.0362 -0.0206 0.0589 50 ASP L CA 4316 C C . ASP B 52 ? 0.6305 0.3751 0.3349 -0.0449 -0.0186 0.0699 50 ASP L C 4317 O O . ASP B 52 ? 0.6779 0.3837 0.3496 -0.0479 -0.0242 0.0778 50 ASP L O 4318 C CB . ASP B 52 ? 0.7434 0.4238 0.4260 -0.0243 -0.0328 0.0577 50 ASP L CB 4319 C CG . ASP B 52 ? 0.8725 0.5423 0.5596 -0.0190 -0.0327 0.0445 50 ASP L CG 4320 O OD1 . ASP B 52 ? 0.8487 0.5456 0.5502 -0.0328 -0.0229 0.0401 50 ASP L OD1 4321 O OD2 . ASP B 52 ? 1.0080 0.6410 0.6825 0.0003 -0.0439 0.0371 50 ASP L OD2 4326 N N . VAL B 53 ? 0.5698 0.3624 0.3025 -0.0483 -0.0109 0.0688 51 VAL L N 4327 C CA . VAL B 53 ? 0.5735 0.3815 0.3034 -0.0575 -0.0061 0.0753 51 VAL L CA 4328 C C . VAL B 53 ? 0.6020 0.4039 0.3252 -0.0400 -0.0145 0.0775 51 VAL L C 4329 O O . VAL B 53 ? 0.6597 0.4953 0.4030 -0.0350 -0.0119 0.0753 51 VAL L O 4330 C CB . VAL B 53 ? 0.5952 0.3882 0.3093 -0.0796 0.0000 0.0775 51 VAL L CB 4331 C CG1 . VAL B 53 ? 0.5651 0.3858 0.2869 -0.0882 0.0084 0.0779 51 VAL L CG1 4332 C CG2 . VAL B 53 ? 0.6034 0.4035 0.3235 -0.0984 0.0062 0.0736 51 VAL L CG2 4342 N N . SER B 54 ? 0.5691 0.3279 0.2654 -0.0294 -0.0266 0.0801 52 SER L N 4343 C CA . SER B 54 ? 0.6161 0.3668 0.3023 -0.0142 -0.0379 0.0819 52 SER L CA 4344 C C . SER B 54 ? 0.6844 0.4031 0.3588 0.0141 -0.0585 0.0782 52 SER L C 4345 O O . SER B 54 ? 0.7072 0.4117 0.3697 0.0280 -0.0726 0.0784 52 SER L O 4346 C CB . SER B 54 ? 0.6219 0.3511 0.2822 -0.0299 -0.0351 0.0879 52 SER L CB 4347 O OG . SER B 54 ? 0.6475 0.3279 0.2783 -0.0357 -0.0400 0.0903 52 SER L OG 4353 N N . HIS B 55 ? 0.6659 0.3897 0.3623 0.0231 -0.0582 0.0674 53 HIS L N 4354 C CA . HIS B 55 ? 0.7077 0.4179 0.4121 0.0523 -0.0752 0.0552 53 HIS L CA 4355 C C . HIS B 55 ? 0.6235 0.3929 0.3803 0.0668 -0.0716 0.0380 53 HIS L C 4356 O O . HIS B 55 ? 0.5941 0.4042 0.3771 0.0530 -0.0545 0.0354 53 HIS L O 4357 C CB . HIS B 55 ? 0.8412 0.5163 0.5344 0.0540 -0.0766 0.0499 53 HIS L CB 4358 C CG . HIS B 55 ? 1.0168 0.6222 0.6535 0.0416 -0.0835 0.0648 53 HIS L CG 4359 N ND1 . HIS B 55 ? 1.0850 0.6850 0.7043 0.0081 -0.0675 0.0754 53 HIS L ND1 4360 C CD2 . HIS B 55 ? 1.0920 0.6408 0.6948 0.0552 -0.1024 0.0660 53 HIS L CD2 4361 C CE1 . HIS B 55 ? 1.1352 0.6896 0.7213 -0.0015 -0.0722 0.0790 53 HIS L CE1 4362 N NE2 . HIS B 55 ? 1.1460 0.6651 0.7176 0.0259 -0.0933 0.0748 53 HIS L NE2 4370 N N . ARG B 56 ? 0.5854 0.3579 0.3559 0.0941 -0.0889 0.0255 54 ARG L N 4371 C CA . ARG B 56 ? 0.5184 0.3488 0.3402 0.1058 -0.0850 0.0055 54 ARG L CA 4372 C C . ARG B 56 ? 0.5048 0.3410 0.3517 0.1267 -0.0897 -0.0170 54 ARG L C 4373 O O . ARG B 56 ? 0.5585 0.3541 0.3871 0.1482 -0.1099 -0.0203 54 ARG L O 4374 C CB . ARG B 56 ? 0.5756 0.4208 0.4041 0.1204 -0.1012 0.0030 54 ARG L CB 4375 C CG . ARG B 56 ? 0.6746 0.5303 0.4902 0.1010 -0.0932 0.0179 54 ARG L CG 4376 C CD . ARG B 56 ? 0.8225 0.6864 0.6383 0.1169 -0.1125 0.0141 54 ARG L CD 4377 N NE . ARG B 56 ? 1.0160 0.8232 0.7860 0.1334 -0.1384 0.0228 54 ARG L NE 4378 C CZ . ARG B 56 ? 1.1347 0.8950 0.8487 0.1198 -0.1410 0.0441 54 ARG L CZ 4379 N NH1 . ARG B 56 ? 1.0910 0.8619 0.7948 0.0916 -0.1193 0.0560 54 ARG L NH1 4380 N NH2 . ARG B 56 ? 1.2615 0.9768 0.9450 0.1264 -0.1560 0.0471 54 ARG L NH2 4394 N N . PRO B 57 ? 0.4649 0.3491 0.3511 0.1206 -0.0710 -0.0338 55 PRO L N 4395 C CA . PRO B 57 ? 0.5172 0.4178 0.4333 0.1401 -0.0721 -0.0608 55 PRO L CA 4396 C C . PRO B 57 ? 0.5570 0.4878 0.5082 0.1684 -0.0906 -0.0816 55 PRO L C 4397 O O . PRO B 57 ? 0.4974 0.4489 0.4561 0.1668 -0.0963 -0.0767 55 PRO L O 4398 C CB . PRO B 57 ? 0.4604 0.4040 0.4009 0.1183 -0.0435 -0.0706 55 PRO L CB 4399 C CG . PRO B 57 ? 0.4112 0.3734 0.3496 0.0972 -0.0342 -0.0544 55 PRO L CG 4400 C CD . PRO B 57 ? 0.4146 0.3353 0.3149 0.0952 -0.0481 -0.0295 55 PRO L CD 4408 N N . SER B 58 ? 0.6424 0.5773 0.6167 0.1952 -0.1011 -0.1069 56 SER L N 4409 C CA . SER B 58 ? 0.6731 0.6434 0.6888 0.2261 -0.1217 -0.1323 56 SER L CA 4410 C C . SER B 58 ? 0.5450 0.5898 0.6088 0.2112 -0.1039 -0.1471 56 SER L C 4411 O O . SER B 58 ? 0.5239 0.6047 0.6082 0.1880 -0.0738 -0.1566 56 SER L O 4412 C CB . SER B 58 ? 0.7726 0.7489 0.8170 0.2554 -0.1293 -0.1643 56 SER L CB 4413 O OG . SER B 58 ? 0.8361 0.8595 0.9293 0.2819 -0.1477 -0.1925 56 SER L OG 4419 N N . GLY B 59 ? 0.5095 0.5724 0.5856 0.2225 -0.1231 -0.1485 57 GLY L N 4420 C CA . GLY B 59 ? 0.5214 0.6525 0.6435 0.2087 -0.1094 -0.1648 57 GLY L CA 4421 C C . GLY B 59 ? 0.5121 0.6347 0.6070 0.1825 -0.1020 -0.1380 57 GLY L C 4422 O O . GLY B 59 ? 0.5662 0.7307 0.6889 0.1774 -0.1024 -0.1481 57 GLY L O 4426 N N . ILE B 60 ? 0.4356 0.5064 0.4787 0.1657 -0.0952 -0.1066 58 ILE L N 4427 C CA . ILE B 60 ? 0.3985 0.4615 0.4170 0.1426 -0.0874 -0.0835 58 ILE L CA 4428 C C . ILE B 60 ? 0.4467 0.4867 0.4404 0.1571 -0.1146 -0.0728 58 ILE L C 4429 O O . ILE B 60 ? 0.4610 0.4537 0.4207 0.1757 -0.1368 -0.0637 58 ILE L O 4430 C CB . ILE B 60 ? 0.4220 0.4447 0.3989 0.1203 -0.0716 -0.0575 58 ILE L CB 4431 C CG1 . ILE B 60 ? 0.4842 0.5237 0.4765 0.1049 -0.0468 -0.0663 58 ILE L CG1 4432 C CG2 . ILE B 60 ? 0.3240 0.3441 0.2821 0.1003 -0.0648 -0.0384 58 ILE L CG2 4433 C CD1 . ILE B 60 ? 0.4984 0.5857 0.5228 0.0868 -0.0268 -0.0791 58 ILE L CD1 4445 N N . SER B 61 ? 0.4531 0.5214 0.4581 0.1469 -0.1126 -0.0736 59 SER L N 4446 C CA . SER B 61 ? 0.5015 0.5524 0.4810 0.1573 -0.1364 -0.0651 59 SER L CA 4447 C C . SER B 61 ? 0.5099 0.4990 0.4252 0.1490 -0.1390 -0.0346 59 SER L C 4448 O O . SER B 61 ? 0.4788 0.4539 0.3779 0.1270 -0.1171 -0.0197 59 SER L O 4449 C CB . SER B 61 ? 0.5368 0.6286 0.5385 0.1416 -0.1276 -0.0717 59 SER L CB 4450 O OG . SER B 61 ? 0.6041 0.6768 0.5746 0.1481 -0.1481 -0.0624 59 SER L OG 4456 N N . ASN B 62 ? 0.5741 0.5265 0.4514 0.1655 -0.1664 -0.0267 60 ASN L N 4457 C CA . ASN B 62 ? 0.7183 0.6107 0.5292 0.1537 -0.1676 0.0008 60 ASN L CA 4458 C C . ASN B 62 ? 0.5893 0.4948 0.3887 0.1267 -0.1475 0.0120 60 ASN L C 4459 O O . ASN B 62 ? 0.5829 0.4513 0.3352 0.1102 -0.1399 0.0317 60 ASN L O 4460 C CB . ASN B 62 ? 1.0271 0.8774 0.8033 0.1675 -0.1917 0.0043 60 ASN L CB 4461 C CG . ASN B 62 ? 1.2798 1.1598 1.0712 0.1747 -0.2049 -0.0072 60 ASN L CG 4462 O OD1 . ASN B 62 ? 1.3474 1.2623 1.1520 0.1616 -0.1944 -0.0086 60 ASN L OD1 4463 N ND2 . ASN B 62 ? 1.4136 1.2778 1.2015 0.1957 -0.2291 -0.0166 60 ASN L ND2 4470 N N . ARG B 63 ? 0.5259 0.4842 0.3688 0.1216 -0.1383 -0.0027 61 ARG L N 4471 C CA . ARG B 63 ? 0.5354 0.5082 0.3742 0.0990 -0.1197 0.0038 61 ARG L CA 4472 C C . ARG B 63 ? 0.5234 0.4855 0.3539 0.0779 -0.0946 0.0171 61 ARG L C 4473 O O . ARG B 63 ? 0.5452 0.4997 0.3535 0.0620 -0.0832 0.0275 61 ARG L O 4474 C CB . ARG B 63 ? 0.5642 0.5903 0.4534 0.0958 -0.1128 -0.0159 61 ARG L CB 4475 C CG . ARG B 63 ? 0.7106 0.7574 0.6130 0.1126 -0.1369 -0.0322 61 ARG L CG 4476 C CD . ARG B 63 ? 0.7774 0.8733 0.7238 0.1012 -0.1260 -0.0504 61 ARG L CD 4477 N NE . ARG B 63 ? 0.7598 0.8730 0.7342 0.0835 -0.0987 -0.0526 61 ARG L NE 4478 C CZ . ARG B 63 ? 0.7382 0.8843 0.7555 0.0834 -0.0913 -0.0704 61 ARG L CZ 4479 N NH1 . ARG B 63 ? 0.7949 0.9694 0.8434 0.1020 -0.1088 -0.0916 61 ARG L NH1 4480 N NH2 . ARG B 63 ? 0.6773 0.8286 0.7057 0.0642 -0.0664 -0.0687 61 ARG L NH2 4494 N N . PHE B 64 ? 0.5002 0.4652 0.3506 0.0785 -0.0865 0.0141 62 PHE L N 4495 C CA . PHE B 64 ? 0.4692 0.4269 0.3147 0.0602 -0.0661 0.0243 62 PHE L CA 4496 C C . PHE B 64 ? 0.5414 0.4527 0.3432 0.0562 -0.0693 0.0402 62 PHE L C 4497 O O . PHE B 64 ? 0.6335 0.5145 0.4175 0.0705 -0.0851 0.0409 62 PHE L O 4498 C CB . PHE B 64 ? 0.4114 0.3900 0.2910 0.0598 -0.0555 0.0136 62 PHE L CB 4499 C CG . PHE B 64 ? 0.3786 0.3980 0.2953 0.0552 -0.0468 -0.0006 62 PHE L CG 4500 C CD1 . PHE B 64 ? 0.3731 0.4199 0.3185 0.0680 -0.0566 -0.0191 62 PHE L CD1 4501 C CD2 . PHE B 64 ? 0.3655 0.3943 0.2878 0.0377 -0.0299 0.0034 62 PHE L CD2 4502 C CE1 . PHE B 64 ? 0.3648 0.4479 0.3425 0.0584 -0.0462 -0.0332 62 PHE L CE1 4503 C CE2 . PHE B 64 ? 0.3585 0.4146 0.3066 0.0304 -0.0217 -0.0083 62 PHE L CE2 4504 C CZ . PHE B 64 ? 0.3516 0.4349 0.3270 0.0383 -0.0280 -0.0265 62 PHE L CZ 4514 N N . SER B 65 ? 0.5082 0.4134 0.2931 0.0363 -0.0546 0.0512 63 SER L N 4515 C CA . SER B 65 ? 0.5635 0.4284 0.3083 0.0250 -0.0527 0.0648 63 SER L CA 4516 C C . SER B 65 ? 0.5610 0.4418 0.3143 0.0035 -0.0325 0.0682 63 SER L C 4517 O O . SER B 65 ? 0.5516 0.4659 0.3281 -0.0015 -0.0231 0.0634 63 SER L O 4518 C CB . SER B 65 ? 0.6272 0.4639 0.3310 0.0223 -0.0609 0.0729 63 SER L CB 4519 O OG . SER B 65 ? 0.6609 0.5226 0.3668 0.0095 -0.0488 0.0723 63 SER L OG 4525 N N . GLY B 66 ? 0.6167 0.4728 0.3521 -0.0081 -0.0279 0.0750 64 GLY L N 4526 C CA . GLY B 66 ? 0.6156 0.4906 0.3631 -0.0274 -0.0117 0.0754 64 GLY L CA 4527 C C . GLY B 66 ? 0.6227 0.4800 0.3518 -0.0451 -0.0046 0.0795 64 GLY L C 4528 O O . GLY B 66 ? 0.6311 0.4503 0.3325 -0.0439 -0.0124 0.0841 64 GLY L O 4532 N N . SER B 67 ? 0.6016 0.4850 0.3441 -0.0620 0.0095 0.0763 65 SER L N 4533 C CA . SER B 67 ? 0.6386 0.5106 0.3657 -0.0836 0.0189 0.0770 65 SER L CA 4534 C C . SER B 67 ? 0.6439 0.5475 0.3955 -0.0989 0.0297 0.0706 65 SER L C 4535 O O . SER B 67 ? 0.6322 0.5658 0.4097 -0.0917 0.0293 0.0667 65 SER L O 4536 C CB . SER B 67 ? 0.7098 0.5842 0.4204 -0.0919 0.0257 0.0767 65 SER L CB 4537 O OG . SER B 67 ? 0.7775 0.6963 0.5125 -0.0953 0.0364 0.0684 65 SER L OG 4543 N N . LYS B 68 ? 0.6839 0.5804 0.4253 -0.1213 0.0382 0.0689 66 LYS L N 4544 C CA . LYS B 68 ? 0.6442 0.5752 0.4096 -0.1384 0.0473 0.0605 66 LYS L CA 4545 C C . LYS B 68 ? 0.6302 0.5745 0.3915 -0.1649 0.0624 0.0530 66 LYS L C 4546 O O . LYS B 68 ? 0.6422 0.5513 0.3707 -0.1746 0.0644 0.0572 66 LYS L O 4547 C CB . LYS B 68 ? 0.6851 0.5955 0.4472 -0.1413 0.0406 0.0626 66 LYS L CB 4548 C CG . LYS B 68 ? 0.7120 0.6612 0.4999 -0.1588 0.0468 0.0537 66 LYS L CG 4549 C CD . LYS B 68 ? 0.7403 0.6688 0.5139 -0.1824 0.0502 0.0510 66 LYS L CD 4550 C CE . LYS B 68 ? 0.7274 0.6147 0.4834 -0.1739 0.0383 0.0569 66 LYS L CE 4551 N NZ . LYS B 68 ? 0.7585 0.6346 0.5068 -0.1990 0.0412 0.0513 66 LYS L NZ 4565 N N . SER B 69 ? 0.5818 0.5797 0.3772 -0.1769 0.0728 0.0399 67 SER L N 4566 C CA . SER B 69 ? 0.6020 0.6251 0.4039 -0.2029 0.0888 0.0268 67 SER L CA 4567 C C . SER B 69 ? 0.5054 0.5882 0.3544 -0.2133 0.0939 0.0102 67 SER L C 4568 O O . SER B 69 ? 0.5083 0.6390 0.3952 -0.1999 0.0925 0.0018 67 SER L O 4569 C CB . SER B 69 ? 0.6810 0.7221 0.4826 -0.2009 0.0983 0.0211 67 SER L CB 4570 O OG . SER B 69 ? 0.7673 0.8384 0.5784 -0.2256 0.1153 0.0050 67 SER L OG 4576 N N . GLY B 70 ? 0.4783 0.5602 0.3270 -0.2363 0.0981 0.0036 68 GLY L N 4577 C CA . GLY B 70 ? 0.4793 0.6199 0.3773 -0.2454 0.0988 -0.0145 68 GLY L CA 4578 C C . GLY B 70 ? 0.4498 0.5935 0.3671 -0.2216 0.0788 -0.0093 68 GLY L C 4579 O O . GLY B 70 ? 0.4915 0.5849 0.3784 -0.2166 0.0684 0.0054 68 GLY L O 4583 N N . ASN B 71 ? 0.3904 0.5843 0.3557 -0.1984 0.0687 -0.0231 69 ASN L N 4584 C CA . ASN B 71 ? 0.3887 0.5781 0.3683 -0.1699 0.0447 -0.0199 69 ASN L CA 4585 C C . ASN B 71 ? 0.4297 0.6000 0.4015 -0.1394 0.0360 -0.0090 69 ASN L C 4586 O O . ASN B 71 ? 0.4707 0.6360 0.4507 -0.1171 0.0183 -0.0065 69 ASN L O 4587 C CB . ASN B 71 ? 0.3446 0.5942 0.3780 -0.1638 0.0332 -0.0425 69 ASN L CB 4588 C CG . ASN B 71 ? 0.4117 0.6837 0.4577 -0.1941 0.0383 -0.0557 69 ASN L CG 4589 O OD1 . ASN B 71 ? 0.4556 0.6844 0.4650 -0.2141 0.0429 -0.0443 69 ASN L OD1 4590 N ND2 . ASN B 71 ? 0.4355 0.7759 0.5354 -0.1973 0.0366 -0.0821 69 ASN L ND2 4597 N N . THR B 72 ? 0.4434 0.6008 0.3955 -0.1407 0.0485 -0.0028 70 THR L N 4598 C CA . THR B 72 ? 0.4911 0.6315 0.4359 -0.1155 0.0415 0.0058 70 THR L CA 4599 C C . THR B 72 ? 0.5172 0.6050 0.4166 -0.1167 0.0438 0.0240 70 THR L C 4600 O O . THR B 72 ? 0.5938 0.6607 0.4634 -0.1365 0.0551 0.0293 70 THR L O 4601 C CB . THR B 72 ? 0.5417 0.7171 0.5076 -0.1093 0.0498 -0.0066 70 THR L CB 4602 O OG1 . THR B 72 ? 0.7042 0.8726 0.6434 -0.1309 0.0691 -0.0049 70 THR L OG1 4603 C CG2 . THR B 72 ? 0.4739 0.7067 0.4900 -0.1063 0.0470 -0.0294 70 THR L CG2 4611 N N . ALA B 73 ? 0.4761 0.5418 0.3695 -0.0956 0.0323 0.0325 71 ALA L N 4612 C CA . ALA B 73 ? 0.4498 0.4741 0.3099 -0.0906 0.0310 0.0454 71 ALA L CA 4613 C C . ALA B 73 ? 0.4059 0.4366 0.2723 -0.0731 0.0284 0.0450 71 ALA L C 4614 O O . ALA B 73 ? 0.3904 0.4485 0.2836 -0.0636 0.0261 0.0366 71 ALA L O 4615 C CB . ALA B 73 ? 0.4540 0.4505 0.3043 -0.0841 0.0215 0.0514 71 ALA L CB 4621 N N . SER B 74 ? 0.3792 0.3829 0.2205 -0.0681 0.0266 0.0528 72 SER L N 4622 C CA . SER B 74 ? 0.3976 0.4080 0.2447 -0.0536 0.0236 0.0507 72 SER L CA 4623 C C . SER B 74 ? 0.3970 0.3806 0.2282 -0.0419 0.0147 0.0568 72 SER L C 4624 O O . SER B 74 ? 0.4417 0.3956 0.2469 -0.0445 0.0113 0.0636 72 SER L O 4625 C CB . SER B 74 ? 0.4184 0.4415 0.2569 -0.0614 0.0328 0.0464 72 SER L CB 4626 O OG . SER B 74 ? 0.5361 0.5300 0.3349 -0.0745 0.0364 0.0548 72 SER L OG 4632 N N . LEU B 75 ? 0.3873 0.3814 0.2351 -0.0288 0.0103 0.0524 73 LEU L N 4633 C CA . LEU B 75 ? 0.4056 0.3875 0.2485 -0.0172 0.0022 0.0526 73 LEU L CA 4634 C C . LEU B 75 ? 0.4228 0.4137 0.2633 -0.0128 0.0005 0.0486 73 LEU L C 4635 O O . LEU B 75 ? 0.4646 0.4749 0.3205 -0.0132 0.0050 0.0425 73 LEU L O 4636 C CB . LEU B 75 ? 0.4041 0.3934 0.2682 -0.0107 0.0010 0.0479 73 LEU L CB 4637 C CG . LEU B 75 ? 0.4257 0.4145 0.2960 0.0000 -0.0050 0.0422 73 LEU L CG 4638 C CD1 . LEU B 75 ? 0.4435 0.4123 0.3022 0.0054 -0.0107 0.0436 73 LEU L CD1 4639 C CD2 . LEU B 75 ? 0.3816 0.3839 0.2723 -0.0006 -0.0005 0.0352 73 LEU L CD2 4651 N N . THR B 76 ? 0.4290 0.4027 0.2478 -0.0072 -0.0081 0.0512 74 THR L N 4652 C CA . THR B 76 ? 0.4797 0.4600 0.2918 -0.0026 -0.0125 0.0466 74 THR L CA 4653 C C . THR B 76 ? 0.4716 0.4538 0.2945 0.0124 -0.0262 0.0403 74 THR L C 4654 O O . THR B 76 ? 0.4754 0.4410 0.2915 0.0212 -0.0363 0.0422 74 THR L O 4655 C CB . THR B 76 ? 0.5401 0.4983 0.3096 -0.0107 -0.0128 0.0538 74 THR L CB 4656 O OG1 . THR B 76 ? 0.5825 0.5508 0.3494 -0.0275 0.0035 0.0541 74 THR L OG1 4657 C CG2 . THR B 76 ? 0.5001 0.4615 0.2570 -0.0046 -0.0205 0.0485 74 THR L CG2 4665 N N . ILE B 77 ? 0.4446 0.4487 0.2870 0.0154 -0.0267 0.0302 75 ILE L N 4666 C CA . ILE B 77 ? 0.4533 0.4682 0.3107 0.0270 -0.0391 0.0199 75 ILE L CA 4667 C C . ILE B 77 ? 0.5084 0.5239 0.3480 0.0299 -0.0483 0.0161 75 ILE L C 4668 O O . ILE B 77 ? 0.5375 0.5675 0.3851 0.0241 -0.0419 0.0094 75 ILE L O 4669 C CB . ILE B 77 ? 0.3874 0.4265 0.2813 0.0237 -0.0315 0.0090 75 ILE L CB 4670 C CG1 . ILE B 77 ? 0.3884 0.4232 0.2911 0.0176 -0.0207 0.0140 75 ILE L CG1 4671 C CG2 . ILE B 77 ? 0.3729 0.4308 0.2891 0.0329 -0.0422 -0.0053 75 ILE L CG2 4672 C CD1 . ILE B 77 ? 0.3884 0.4361 0.3137 0.0099 -0.0115 0.0065 75 ILE L CD1 4684 N N . SER B 78 ? 0.5500 0.5451 0.3612 0.0396 -0.0651 0.0199 76 SER L N 4685 C CA . SER B 78 ? 0.5991 0.5881 0.3825 0.0421 -0.0765 0.0177 76 SER L CA 4686 C C . SER B 78 ? 0.5630 0.5749 0.3718 0.0562 -0.0947 0.0016 76 SER L C 4687 O O . SER B 78 ? 0.5715 0.5744 0.3751 0.0728 -0.1161 -0.0006 76 SER L O 4688 C CB . SER B 78 ? 0.6947 0.6401 0.4214 0.0431 -0.0870 0.0324 76 SER L CB 4689 O OG . SER B 78 ? 0.7553 0.6807 0.4789 0.0596 -0.1056 0.0348 76 SER L OG 4695 N N . GLY B 79 ? 0.5147 0.5560 0.3522 0.0497 -0.0872 -0.0114 77 GLY L N 4696 C CA . GLY B 79 ? 0.4765 0.5464 0.3442 0.0578 -0.1011 -0.0302 77 GLY L CA 4697 C C . GLY B 79 ? 0.4312 0.5300 0.3485 0.0517 -0.0885 -0.0415 77 GLY L C 4698 O O . GLY B 79 ? 0.4317 0.5466 0.3757 0.0609 -0.0956 -0.0505 77 GLY L O 4702 N N . LEU B 80 ? 0.3938 0.4970 0.3210 0.0360 -0.0697 -0.0422 78 LEU L N 4703 C CA . LEU B 80 ? 0.3417 0.4618 0.3037 0.0253 -0.0558 -0.0504 78 LEU L CA 4704 C C . LEU B 80 ? 0.3277 0.4823 0.3253 0.0261 -0.0640 -0.0725 78 LEU L C 4705 O O . LEU B 80 ? 0.3297 0.4976 0.3303 0.0272 -0.0754 -0.0847 78 LEU L O 4706 C CB . LEU B 80 ? 0.3482 0.4588 0.3071 0.0105 -0.0404 -0.0489 78 LEU L CB 4707 C CG . LEU B 80 ? 0.3273 0.4140 0.2638 0.0087 -0.0303 -0.0325 78 LEU L CG 4708 C CD1 . LEU B 80 ? 0.2630 0.3417 0.1989 0.0002 -0.0216 -0.0363 78 LEU L CD1 4709 C CD2 . LEU B 80 ? 0.3387 0.4183 0.2804 0.0069 -0.0222 -0.0230 78 LEU L CD2 4721 N N . HIS B 81 ? 0.3027 0.4748 0.3285 0.0248 -0.0577 -0.0799 79 HIS L N 4722 C CA . HIS B 81 ? 0.3548 0.5674 0.4230 0.0180 -0.0567 -0.1047 79 HIS L CA 4723 C C . HIS B 81 ? 0.3142 0.5226 0.3892 -0.0082 -0.0315 -0.1053 79 HIS L C 4724 O O . HIS B 81 ? 0.2926 0.4691 0.3432 -0.0142 -0.0194 -0.0870 79 HIS L O 4725 C CB . HIS B 81 ? 0.4406 0.6784 0.5367 0.0329 -0.0642 -0.1167 79 HIS L CB 4726 C CG . HIS B 81 ? 0.5046 0.7426 0.5935 0.0609 -0.0942 -0.1189 79 HIS L CG 4727 N ND1 . HIS B 81 ? 0.5243 0.7213 0.5649 0.0717 -0.1069 -0.0976 79 HIS L ND1 4728 C CD2 . HIS B 81 ? 0.5133 0.7850 0.6342 0.0804 -0.1153 -0.1406 79 HIS L CD2 4729 C CE1 . HIS B 81 ? 0.5301 0.7272 0.5654 0.0957 -0.1354 -0.1031 79 HIS L CE1 4730 N NE2 . HIS B 81 ? 0.5204 0.7631 0.6061 0.1042 -0.1431 -0.1296 79 HIS L NE2 4738 N N . ILE B 82 ? 0.2765 0.5146 0.3820 -0.0248 -0.0247 -0.1268 80 ILE L N 4739 C CA . ILE B 82 ? 0.3062 0.5316 0.4095 -0.0534 -0.0011 -0.1271 80 ILE L CA 4740 C C . ILE B 82 ? 0.3250 0.5409 0.4239 -0.0597 0.0157 -0.1191 80 ILE L C 4741 O O . ILE B 82 ? 0.3804 0.5631 0.4549 -0.0775 0.0314 -0.1071 80 ILE L O 4742 C CB . ILE B 82 ? 0.3087 0.5704 0.4465 -0.0751 0.0056 -0.1547 80 ILE L CB 4743 C CG1 . ILE B 82 ? 0.3140 0.6328 0.4995 -0.0680 0.0023 -0.1794 80 ILE L CG1 4744 C CG2 . ILE B 82 ? 0.2937 0.5573 0.4295 -0.0737 -0.0093 -0.1625 80 ILE L CG2 4745 C CD1 . ILE B 82 ? 0.3103 0.6753 0.5376 -0.0930 0.0118 -0.2111 80 ILE L CD1 4757 N N . GLU B 83 ? 0.2884 0.5297 0.4075 -0.0439 0.0105 -0.1262 81 GLU L N 4758 C CA . GLU B 83 ? 0.2939 0.5301 0.4102 -0.0498 0.0268 -0.1228 81 GLU L CA 4759 C C . GLU B 83 ? 0.3142 0.5060 0.3914 -0.0392 0.0243 -0.0951 81 GLU L C 4760 O O . GLU B 83 ? 0.3178 0.5003 0.3868 -0.0423 0.0351 -0.0903 81 GLU L O 4761 C CB . GLU B 83 ? 0.2862 0.5681 0.4427 -0.0357 0.0226 -0.1455 81 GLU L CB 4762 C CG . GLU B 83 ? 0.3528 0.6326 0.5082 -0.0005 -0.0045 -0.1408 81 GLU L CG 4763 C CD . GLU B 83 ? 0.4642 0.7743 0.6439 0.0148 -0.0282 -0.1574 81 GLU L CD 4764 O OE1 . GLU B 83 ? 0.4883 0.8071 0.6771 0.0435 -0.0514 -0.1632 81 GLU L OE1 4765 O OE2 . GLU B 83 ? 0.5186 0.8398 0.7050 -0.0014 -0.0257 -0.1648 81 GLU L OE2 4772 N N . ASP B 84 ? 0.3622 0.5296 0.4162 -0.0282 0.0112 -0.0793 82 ASP L N 4773 C CA . ASP B 84 ? 0.4133 0.5448 0.4348 -0.0211 0.0099 -0.0561 82 ASP L CA 4774 C C . ASP B 84 ? 0.4063 0.5074 0.4052 -0.0383 0.0224 -0.0445 82 ASP L C 4775 O O . ASP B 84 ? 0.4249 0.5005 0.4015 -0.0354 0.0231 -0.0285 82 ASP L O 4776 C CB . ASP B 84 ? 0.4676 0.5891 0.4735 -0.0047 -0.0067 -0.0469 82 ASP L CB 4777 C CG . ASP B 84 ? 0.4897 0.6272 0.5053 0.0148 -0.0239 -0.0542 82 ASP L CG 4778 O OD1 . ASP B 84 ? 0.4824 0.6347 0.5163 0.0207 -0.0236 -0.0634 82 ASP L OD1 4779 O OD2 . ASP B 84 ? 0.5012 0.6338 0.5032 0.0251 -0.0386 -0.0515 82 ASP L OD2 4784 N N . GLU B 85 ? 0.4103 0.5120 0.4139 -0.0561 0.0305 -0.0537 83 GLU L N 4785 C CA . GLU B 85 ? 0.5011 0.5648 0.4779 -0.0713 0.0389 -0.0432 83 GLU L CA 4786 C C . GLU B 85 ? 0.4838 0.5295 0.4429 -0.0809 0.0503 -0.0350 83 GLU L C 4787 O O . GLU B 85 ? 0.5119 0.5798 0.4851 -0.0883 0.0605 -0.0458 83 GLU L O 4788 C CB . GLU B 85 ? 0.6073 0.6707 0.5895 -0.0925 0.0466 -0.0565 83 GLU L CB 4789 C CG . GLU B 85 ? 0.7336 0.7489 0.6844 -0.1011 0.0468 -0.0461 83 GLU L CG 4790 C CD . GLU B 85 ? 0.8006 0.8156 0.7583 -0.1132 0.0464 -0.0598 83 GLU L CD 4791 O OE1 . GLU B 85 ? 0.8369 0.8191 0.7759 -0.1087 0.0393 -0.0543 83 GLU L OE1 4792 O OE2 . GLU B 85 ? 0.7966 0.8463 0.7810 -0.1267 0.0528 -0.0785 83 GLU L OE2 4799 N N . GLY B 86 ? 0.4300 0.4372 0.3586 -0.0796 0.0474 -0.0180 84 GLY L N 4800 C CA . GLY B 86 ? 0.4216 0.4055 0.3255 -0.0883 0.0548 -0.0088 84 GLY L CA 4801 C C . GLY B 86 ? 0.4180 0.3767 0.3015 -0.0740 0.0428 0.0081 84 GLY L C 4802 O O . GLY B 86 ? 0.4228 0.3796 0.3104 -0.0603 0.0315 0.0118 84 GLY L O 4806 N N . ASP B 87 ? 0.4111 0.3539 0.2740 -0.0780 0.0457 0.0158 85 ASP L N 4807 C CA . ASP B 87 ? 0.4483 0.3723 0.2952 -0.0656 0.0331 0.0291 85 ASP L CA 4808 C C . ASP B 87 ? 0.4353 0.3831 0.2965 -0.0547 0.0311 0.0292 85 ASP L C 4809 O O . ASP B 87 ? 0.4690 0.4296 0.3348 -0.0598 0.0403 0.0228 85 ASP L O 4810 C CB . ASP B 87 ? 0.5416 0.4236 0.3481 -0.0774 0.0332 0.0385 85 ASP L CB 4811 C CG . ASP B 87 ? 0.7512 0.5958 0.5332 -0.0901 0.0340 0.0404 85 ASP L CG 4812 O OD1 . ASP B 87 ? 0.8676 0.7166 0.6657 -0.0838 0.0293 0.0359 85 ASP L OD1 4813 O OD2 . ASP B 87 ? 0.7901 0.5963 0.5320 -0.1076 0.0392 0.0463 85 ASP L OD2 4818 N N . TYR B 88 ? 0.3843 0.3372 0.2521 -0.0406 0.0199 0.0347 86 TYR L N 4819 C CA . TYR B 88 ? 0.3825 0.3511 0.2589 -0.0330 0.0178 0.0357 86 TYR L CA 4820 C C . TYR B 88 ? 0.4244 0.3810 0.2878 -0.0309 0.0102 0.0438 86 TYR L C 4821 O O . TYR B 88 ? 0.4514 0.4011 0.3125 -0.0260 0.0012 0.0472 86 TYR L O 4822 C CB . TYR B 88 ? 0.3863 0.3745 0.2803 -0.0230 0.0137 0.0331 86 TYR L CB 4823 C CG . TYR B 88 ? 0.3712 0.3757 0.2797 -0.0223 0.0172 0.0234 86 TYR L CG 4824 C CD1 . TYR B 88 ? 0.3306 0.3384 0.2459 -0.0271 0.0196 0.0165 86 TYR L CD1 4825 C CD2 . TYR B 88 ? 0.3580 0.3732 0.2735 -0.0160 0.0160 0.0194 86 TYR L CD2 4826 C CE1 . TYR B 88 ? 0.2775 0.3062 0.2106 -0.0266 0.0209 0.0046 86 TYR L CE1 4827 C CE2 . TYR B 88 ? 0.3221 0.3556 0.2546 -0.0117 0.0150 0.0079 86 TYR L CE2 4828 C CZ . TYR B 88 ? 0.2792 0.3231 0.2226 -0.0175 0.0175 -0.0002 86 TYR L CZ 4829 O OH . TYR B 88 ? 0.3173 0.3854 0.2820 -0.0133 0.0146 -0.0145 86 TYR L OH 4839 N N . PHE B 89 ? 0.4422 0.3981 0.2992 -0.0336 0.0126 0.0443 87 PHE L N 4840 C CA . PHE B 89 ? 0.4050 0.3518 0.2500 -0.0338 0.0050 0.0497 87 PHE L CA 4841 C C . PHE B 89 ? 0.3840 0.3412 0.2365 -0.0318 0.0049 0.0488 87 PHE L C 4842 O O . PHE B 89 ? 0.3889 0.3459 0.2411 -0.0325 0.0112 0.0446 87 PHE L O 4843 C CB . PHE B 89 ? 0.4184 0.3430 0.2362 -0.0436 0.0079 0.0511 87 PHE L CB 4844 C CG . PHE B 89 ? 0.4391 0.3423 0.2382 -0.0507 0.0099 0.0533 87 PHE L CG 4845 C CD1 . PHE B 89 ? 0.4030 0.2815 0.1821 -0.0480 -0.0040 0.0608 87 PHE L CD1 4846 C CD2 . PHE B 89 ? 0.4768 0.3827 0.2772 -0.0606 0.0247 0.0467 87 PHE L CD2 4847 C CE1 . PHE B 89 ? 0.4371 0.2838 0.1898 -0.0558 -0.0035 0.0645 87 PHE L CE1 4848 C CE2 . PHE B 89 ? 0.4892 0.3701 0.2673 -0.0723 0.0286 0.0488 87 PHE L CE2 4849 C CZ . PHE B 89 ? 0.4749 0.3211 0.2251 -0.0704 0.0144 0.0592 87 PHE L CZ 4859 N N . CYS B 90 ? 0.3408 0.3064 0.2001 -0.0298 -0.0021 0.0510 88 CYS L N 4860 C CA . CYS B 90 ? 0.3447 0.3126 0.2037 -0.0335 -0.0018 0.0511 88 CYS L CA 4861 C C . CYS B 90 ? 0.4222 0.3778 0.2662 -0.0396 -0.0056 0.0511 88 CYS L C 4862 O O . CYS B 90 ? 0.4605 0.4084 0.2943 -0.0400 -0.0114 0.0524 88 CYS L O 4863 C CB . CYS B 90 ? 0.2731 0.2588 0.1456 -0.0344 -0.0040 0.0506 88 CYS L CB 4864 S SG . CYS B 90 ? 0.6234 0.6252 0.5090 -0.0319 -0.0151 0.0470 88 CYS L SG 4869 N N . SER B 91 ? 0.4369 0.3853 0.2746 -0.0447 -0.0036 0.0498 89 SER L N 4870 C CA . SER B 91 ? 0.4578 0.3937 0.2796 -0.0515 -0.0070 0.0479 89 SER L CA 4871 C C . SER B 91 ? 0.4585 0.3908 0.2793 -0.0595 -0.0076 0.0464 89 SER L C 4872 O O . SER B 91 ? 0.4083 0.3345 0.2299 -0.0588 -0.0030 0.0477 89 SER L O 4873 C CB . SER B 91 ? 0.5002 0.4202 0.3064 -0.0512 0.0006 0.0438 89 SER L CB 4874 O OG . SER B 91 ? 0.5561 0.4626 0.3415 -0.0586 -0.0025 0.0412 89 SER L OG 4880 N N . SER B 92 ? 0.4884 0.4208 0.3038 -0.0680 -0.0146 0.0438 90 SER L N 4881 C CA . SER B 92 ? 0.5114 0.4391 0.3247 -0.0804 -0.0144 0.0411 90 SER L CA 4882 C C . SER B 92 ? 0.5191 0.4324 0.3153 -0.0887 -0.0198 0.0355 90 SER L C 4883 O O . SER B 92 ? 0.4394 0.3573 0.2300 -0.0873 -0.0286 0.0338 90 SER L O 4884 C CB . SER B 92 ? 0.4955 0.4527 0.3311 -0.0879 -0.0168 0.0392 90 SER L CB 4885 O OG . SER B 92 ? 0.4916 0.4451 0.3239 -0.1059 -0.0146 0.0353 90 SER L OG 4891 N N . LEU B 93 ? 0.5329 0.4232 0.3158 -0.0973 -0.0159 0.0328 91 LEU L N 4892 C CA . LEU B 93 ? 0.5441 0.4207 0.3116 -0.1090 -0.0210 0.0255 91 LEU L CA 4893 C C . LEU B 93 ? 0.5235 0.4286 0.3083 -0.1222 -0.0298 0.0214 91 LEU L C 4894 O O . LEU B 93 ? 0.5555 0.4829 0.3612 -0.1276 -0.0267 0.0226 91 LEU L O 4895 C CB . LEU B 93 ? 0.5844 0.4250 0.3341 -0.1152 -0.0154 0.0233 91 LEU L CB 4896 C CG . LEU B 93 ? 0.5756 0.3957 0.3078 -0.1310 -0.0194 0.0145 91 LEU L CG 4897 C CD1 . LEU B 93 ? 0.5109 0.3206 0.2255 -0.1248 -0.0219 0.0067 91 LEU L CD1 4898 C CD2 . LEU B 93 ? 0.6213 0.3995 0.3347 -0.1376 -0.0148 0.0148 91 LEU L CD2 4910 N N . THR B 94 ? 0.4607 0.3682 0.2376 -0.1275 -0.0411 0.0144 92 THR L N 4911 C CA . THR B 94 ? 0.4595 0.3997 0.2577 -0.1386 -0.0529 0.0061 92 THR L CA 4912 C C . THR B 94 ? 0.5384 0.4649 0.3257 -0.1600 -0.0537 -0.0035 92 THR L C 4913 O O . THR B 94 ? 0.5236 0.4105 0.2820 -0.1627 -0.0480 -0.0037 92 THR L O 4914 C CB . THR B 94 ? 0.4444 0.3994 0.2419 -0.1274 -0.0718 0.0040 92 THR L CB 4915 O OG1 . THR B 94 ? 0.4579 0.3846 0.2208 -0.1312 -0.0778 0.0005 92 THR L OG1 4916 C CG2 . THR B 94 ? 0.4383 0.3920 0.2350 -0.1078 -0.0708 0.0142 92 THR L CG2 4924 N N . ASP B 95 ? 0.5936 0.5547 0.4062 -0.1753 -0.0611 -0.0141 93 ASP L N 4925 C CA . ASP B 95 ? 0.6605 0.6123 0.4660 -0.2005 -0.0616 -0.0254 93 ASP L CA 4926 C C . ASP B 95 ? 0.6560 0.5923 0.4376 -0.1994 -0.0770 -0.0328 93 ASP L C 4927 O O . ASP B 95 ? 0.6578 0.5812 0.4283 -0.2194 -0.0794 -0.0436 93 ASP L O 4928 C CB . ASP B 95 ? 0.7189 0.7217 0.5648 -0.2200 -0.0632 -0.0384 93 ASP L CB 4929 C CG . ASP B 95 ? 0.7689 0.8230 0.6470 -0.2071 -0.0853 -0.0489 93 ASP L CG 4930 O OD1 . ASP B 95 ? 0.7597 0.8046 0.6247 -0.1821 -0.0977 -0.0411 93 ASP L OD1 4931 O OD2 . ASP B 95 ? 0.8207 0.9234 0.7363 -0.2224 -0.0909 -0.0660 93 ASP L OD2 4936 N N . ARG B 96 ? 0.6468 0.5810 0.4158 -0.1781 -0.0871 -0.0272 94 ARG L N 4937 C CA . ARG B 96 ? 0.7115 0.6249 0.4471 -0.1766 -0.1003 -0.0325 94 ARG L CA 4938 C C . ARG B 96 ? 0.6702 0.5391 0.3680 -0.1669 -0.0863 -0.0253 94 ARG L C 4939 O O . ARG B 96 ? 0.6509 0.4997 0.3147 -0.1639 -0.0922 -0.0280 94 ARG L O 4940 C CB . ARG B 96 ? 0.7600 0.6995 0.5014 -0.1625 -0.1240 -0.0327 94 ARG L CB 4941 C CG . ARG B 96 ? 0.7614 0.7510 0.5438 -0.1702 -0.1426 -0.0469 94 ARG L CG 4942 C CD . ARG B 96 ? 0.7567 0.7697 0.5481 -0.1488 -0.1693 -0.0466 94 ARG L CD 4943 N NE . ARG B 96 ? 0.7923 0.7734 0.5363 -0.1417 -0.1877 -0.0450 94 ARG L NE 4944 C CZ . ARG B 96 ? 0.7963 0.7534 0.5133 -0.1203 -0.1938 -0.0321 94 ARG L CZ 4945 N NH1 . ARG B 96 ? 0.7181 0.6773 0.4441 -0.1066 -0.1906 -0.0208 94 ARG L NH1 4946 N NH2 . ARG B 96 ? 0.8724 0.8016 0.5515 -0.1146 -0.2015 -0.0307 94 ARG L NH2 4960 N N . SER B 97 ? 0.6483 0.5035 0.3520 -0.1624 -0.0678 -0.0180 95 SER L N 4961 C CA . SER B 97 ? 0.6622 0.4843 0.3412 -0.1513 -0.0539 -0.0153 95 SER L CA 4962 C C . SER B 97 ? 0.6099 0.4369 0.2784 -0.1362 -0.0540 -0.0085 95 SER L C 4963 O O . SER B 97 ? 0.6574 0.4627 0.3009 -0.1313 -0.0440 -0.0115 95 SER L O 4964 C CB . SER B 97 ? 0.8021 0.5898 0.4495 -0.1602 -0.0523 -0.0279 95 SER L CB 4965 O OG . SER B 97 ? 0.9089 0.6772 0.5594 -0.1732 -0.0482 -0.0325 95 SER L OG 4971 N N . HIS B 98 A 0.5568 0.4112 0.2437 -0.1299 -0.0645 -0.0011 95 HIS L N 4972 C CA . HIS B 98 A 0.5497 0.4026 0.2261 -0.1171 -0.0633 0.0078 95 HIS L CA 4973 C C . HIS B 98 A 0.5484 0.4109 0.2502 -0.1074 -0.0493 0.0154 95 HIS L C 4974 O O . HIS B 98 A 0.5413 0.4092 0.2639 -0.1099 -0.0422 0.0148 95 HIS L O 4975 C CB . HIS B 98 A 0.5429 0.4125 0.2217 -0.1119 -0.0857 0.0114 95 HIS L CB 4976 C CG . HIS B 98 A 0.6054 0.4647 0.2548 -0.1187 -0.1048 0.0045 95 HIS L CG 4977 N ND1 . HIS B 98 A 0.5880 0.4540 0.2348 -0.1087 -0.1273 0.0071 95 HIS L ND1 4978 C CD2 . HIS B 98 A 0.6644 0.5071 0.2912 -0.1309 -0.1040 -0.0057 95 HIS L CD2 4979 C CE1 . HIS B 98 A 0.6134 0.4707 0.2415 -0.1134 -0.1383 -0.0003 95 HIS L CE1 4980 N NE2 . HIS B 98 A 0.6582 0.5025 0.2746 -0.1277 -0.1238 -0.0082 95 HIS L NE2 4988 N N . ARG B 99 ? 0.5634 0.4240 0.2584 -0.0982 -0.0458 0.0225 96 ARG L N 4989 C CA . ARG B 99 ? 0.5075 0.3814 0.2277 -0.0888 -0.0367 0.0291 96 ARG L CA 4990 C C . ARG B 99 ? 0.5279 0.4144 0.2555 -0.0812 -0.0495 0.0361 96 ARG L C 4991 O O . ARG B 99 ? 0.5110 0.3842 0.2126 -0.0809 -0.0620 0.0382 96 ARG L O 4992 C CB . ARG B 99 ? 0.5170 0.3779 0.2263 -0.0850 -0.0192 0.0280 96 ARG L CB 4993 C CG . ARG B 99 ? 0.5760 0.4213 0.2750 -0.0880 -0.0084 0.0173 96 ARG L CG 4994 C CD . ARG B 99 ? 0.6122 0.4573 0.3302 -0.0873 -0.0088 0.0160 96 ARG L CD 4995 N NE . ARG B 99 ? 0.6995 0.5212 0.4022 -0.0896 -0.0037 0.0047 96 ARG L NE 4996 C CZ . ARG B 99 ? 0.6833 0.4950 0.3890 -0.0794 0.0066 -0.0031 96 ARG L CZ 4997 N NH1 . ARG B 99 ? 0.6933 0.5196 0.4180 -0.0678 0.0130 -0.0008 96 ARG L NH1 4998 N NH2 . ARG B 99 ? 0.6025 0.3903 0.2937 -0.0797 0.0089 -0.0156 96 ARG L NH2 5012 N N . ILE B 100 ? 0.5355 0.4435 0.2946 -0.0744 -0.0477 0.0392 97 ILE L N 5013 C CA . ILE B 100 ? 0.5125 0.4307 0.2814 -0.0641 -0.0591 0.0436 97 ILE L CA 5014 C C . ILE B 100 ? 0.4646 0.3892 0.2503 -0.0571 -0.0467 0.0478 97 ILE L C 5015 O O . ILE B 100 ? 0.4250 0.3623 0.2301 -0.0585 -0.0358 0.0463 97 ILE L O 5016 C CB . ILE B 100 ? 0.5022 0.4507 0.2996 -0.0618 -0.0757 0.0374 97 ILE L CB 5017 C CG1 . ILE B 100 ? 0.6033 0.5565 0.4071 -0.0463 -0.0924 0.0394 97 ILE L CG1 5018 C CG2 . ILE B 100 ? 0.3894 0.3650 0.2201 -0.0675 -0.0637 0.0330 97 ILE L CG2 5019 C CD1 . ILE B 100 ? 0.6713 0.6561 0.5026 -0.0403 -0.1141 0.0288 97 ILE L CD1 5031 N N . PHE B 101 ? 0.4349 0.3458 0.2077 -0.0510 -0.0492 0.0532 98 PHE L N 5032 C CA . PHE B 101 ? 0.4174 0.3328 0.2038 -0.0456 -0.0388 0.0557 98 PHE L CA 5033 C C . PHE B 101 ? 0.4395 0.3704 0.2482 -0.0341 -0.0505 0.0555 98 PHE L C 5034 O O . PHE B 101 ? 0.4451 0.3765 0.2529 -0.0276 -0.0692 0.0542 98 PHE L O 5035 C CB . PHE B 101 ? 0.4559 0.3438 0.2126 -0.0502 -0.0308 0.0596 98 PHE L CB 5036 C CG . PHE B 101 ? 0.5157 0.4004 0.2657 -0.0586 -0.0130 0.0540 98 PHE L CG 5037 C CD1 . PHE B 101 ? 0.5097 0.4063 0.2763 -0.0577 0.0014 0.0502 98 PHE L CD1 5038 C CD2 . PHE B 101 ? 0.5800 0.4516 0.3091 -0.0656 -0.0122 0.0499 98 PHE L CD2 5039 C CE1 . PHE B 101 ? 0.5199 0.4167 0.2836 -0.0622 0.0155 0.0417 98 PHE L CE1 5040 C CE2 . PHE B 101 ? 0.6003 0.4701 0.3232 -0.0719 0.0041 0.0417 98 PHE L CE2 5041 C CZ . PHE B 101 ? 0.5749 0.4568 0.3129 -0.0702 0.0180 0.0375 98 PHE L CZ 5051 N N . GLY B 102 ? 0.3963 0.3402 0.2251 -0.0299 -0.0410 0.0548 99 GLY L N 5052 C CA . GLY B 102 ? 0.4320 0.3888 0.2808 -0.0183 -0.0494 0.0522 99 GLY L CA 5053 C C . GLY B 102 ? 0.4736 0.3993 0.3000 -0.0131 -0.0555 0.0574 99 GLY L C 5054 O O . GLY B 102 ? 0.4521 0.3503 0.2490 -0.0225 -0.0481 0.0629 99 GLY L O 5058 N N . GLY B 103 ? 0.5111 0.4394 0.3502 0.0006 -0.0682 0.0540 100 GLY L N 5059 C CA . GLY B 103 ? 0.5337 0.4225 0.3460 0.0061 -0.0779 0.0594 100 GLY L CA 5060 C C . GLY B 103 ? 0.5246 0.3979 0.3272 -0.0031 -0.0607 0.0624 100 GLY L C 5061 O O . GLY B 103 ? 0.5486 0.3811 0.3192 -0.0069 -0.0636 0.0683 100 GLY L O 5065 N N . GLY B 104 ? 0.4701 0.3738 0.2978 -0.0077 -0.0439 0.0577 101 GLY L N 5066 C CA . GLY B 104 ? 0.4769 0.3750 0.3021 -0.0161 -0.0290 0.0571 101 GLY L CA 5067 C C . GLY B 104 ? 0.4711 0.3798 0.3167 -0.0074 -0.0294 0.0509 101 GLY L C 5068 O O . GLY B 104 ? 0.4544 0.3574 0.3049 0.0055 -0.0428 0.0481 101 GLY L O 5072 N N . THR B 105 ? 0.4280 0.3527 0.2860 -0.0130 -0.0162 0.0467 102 THR L N 5073 C CA . THR B 105 ? 0.4211 0.3550 0.2945 -0.0071 -0.0154 0.0395 102 THR L CA 5074 C C . THR B 105 ? 0.4178 0.3402 0.2841 -0.0187 -0.0058 0.0369 102 THR L C 5075 O O . THR B 105 ? 0.3882 0.3228 0.2574 -0.0280 0.0044 0.0355 102 THR L O 5076 C CB . THR B 105 ? 0.4034 0.3736 0.2999 -0.0028 -0.0104 0.0342 102 THR L CB 5077 O OG1 . THR B 105 ? 0.4424 0.4282 0.3481 0.0028 -0.0157 0.0342 102 THR L OG1 5078 C CG2 . THR B 105 ? 0.3677 0.3463 0.2754 0.0026 -0.0095 0.0255 102 THR L CG2 5086 N N . LYS B 106 ? 0.4531 0.3529 0.3119 -0.0181 -0.0097 0.0340 103 LYS L N 5087 C CA . LYS B 106 ? 0.4762 0.3683 0.3314 -0.0321 -0.0001 0.0287 103 LYS L CA 5088 C C . LYS B 106 ? 0.4597 0.3854 0.3413 -0.0271 0.0030 0.0182 103 LYS L C 5089 O O . LYS B 106 ? 0.4872 0.4189 0.3778 -0.0147 -0.0034 0.0136 103 LYS L O 5090 C CB . LYS B 106 ? 0.4798 0.3245 0.3093 -0.0367 -0.0058 0.0301 103 LYS L CB 5091 C CG . LYS B 106 ? 0.5470 0.3822 0.3712 -0.0573 0.0064 0.0232 103 LYS L CG 5092 C CD . LYS B 106 ? 0.6852 0.4634 0.4775 -0.0638 0.0003 0.0254 103 LYS L CD 5093 C CE . LYS B 106 ? 0.7041 0.4796 0.4985 -0.0851 0.0125 0.0144 103 LYS L CE 5094 N NZ . LYS B 106 ? 0.6821 0.4432 0.4551 -0.1159 0.0295 0.0157 103 LYS L NZ 5108 N N . VAL B 107 ? 0.4156 0.3639 0.3086 -0.0359 0.0119 0.0128 104 VAL L N 5109 C CA . VAL B 107 ? 0.4086 0.3861 0.3213 -0.0308 0.0115 0.0032 104 VAL L CA 5110 C C . VAL B 107 ? 0.3787 0.3555 0.2962 -0.0437 0.0160 -0.0081 104 VAL L C 5111 O O . VAL B 107 ? 0.3332 0.3143 0.2536 -0.0582 0.0248 -0.0125 104 VAL L O 5112 C CB . VAL B 107 ? 0.3823 0.3873 0.3065 -0.0268 0.0127 0.0033 104 VAL L CB 5113 C CG1 . VAL B 107 ? 0.4196 0.4489 0.3587 -0.0240 0.0098 -0.0077 104 VAL L CG1 5114 C CG2 . VAL B 107 ? 0.3047 0.3122 0.2245 -0.0162 0.0083 0.0122 104 VAL L CG2 5124 N N . THR B 108 ? 0.3629 0.3364 0.2823 -0.0397 0.0113 -0.0153 105 THR L N 5125 C CA . THR B 108 ? 0.3907 0.3633 0.3151 -0.0532 0.0145 -0.0282 105 THR L CA 5126 C C . THR B 108 ? 0.3651 0.3736 0.3084 -0.0466 0.0096 -0.0398 105 THR L C 5127 O O . THR B 108 ? 0.2762 0.2920 0.2174 -0.0323 0.0030 -0.0391 105 THR L O 5128 C CB . THR B 108 ? 0.4434 0.3770 0.3508 -0.0547 0.0109 -0.0300 105 THR L CB 5129 O OG1 . THR B 108 ? 0.5120 0.4035 0.3943 -0.0609 0.0118 -0.0186 105 THR L OG1 5130 C CG2 . THR B 108 ? 0.4545 0.3867 0.3665 -0.0712 0.0143 -0.0451 105 THR L CG2 5138 N N . VAL B 109 ? 0.3588 0.3908 0.3195 -0.0577 0.0125 -0.0520 106 VAL L N 5139 C CA . VAL B 109 ? 0.3137 0.3767 0.2903 -0.0517 0.0036 -0.0655 106 VAL L CA 5140 C C . VAL B 109 ? 0.3684 0.4227 0.3457 -0.0646 0.0039 -0.0796 106 VAL L C 5141 O O . VAL B 109 ? 0.3491 0.4096 0.3387 -0.0844 0.0109 -0.0915 106 VAL L O 5142 C CB . VAL B 109 ? 0.2954 0.3959 0.2975 -0.0524 0.0024 -0.0751 106 VAL L CB 5143 C CG1 . VAL B 109 ? 0.3160 0.4460 0.3321 -0.0439 -0.0122 -0.0899 106 VAL L CG1 5144 C CG2 . VAL B 109 ? 0.2452 0.3478 0.2436 -0.0394 0.0015 -0.0621 106 VAL L CG2 5154 N N . LEU B 110 A 0.4437 0.4841 0.4076 -0.0551 -0.0024 -0.0804 106 LEU L N 5155 C CA . LEU B 110 A 0.4990 0.5211 0.4577 -0.0654 -0.0028 -0.0934 106 LEU L CA 5156 C C . LEU B 110 A 0.5318 0.5828 0.5118 -0.0803 -0.0047 -0.1130 106 LEU L C 5157 O O . LEU B 110 A 0.5371 0.6215 0.5284 -0.0708 -0.0157 -0.1219 106 LEU L O 5158 C CB . LEU B 110 A 0.5062 0.5222 0.4518 -0.0493 -0.0099 -0.0960 106 LEU L CB 5159 C CG . LEU B 110 A 0.5094 0.5074 0.4420 -0.0339 -0.0081 -0.0821 106 LEU L CG 5160 C CD1 . LEU B 110 A 0.5175 0.5217 0.4418 -0.0204 -0.0117 -0.0896 106 LEU L CD1 5161 C CD2 . LEU B 110 A 0.5367 0.4915 0.4584 -0.0389 -0.0048 -0.0766 106 LEU L CD2 5173 N N . GLY B 111 ? 0.5318 0.6139 0.4262 0.0387 -0.0257 0.0440 107 GLY L N 5174 C CA . GLY B 111 ? 0.4736 0.5924 0.3923 0.0392 -0.0500 0.0531 107 GLY L CA 5175 C C . GLY B 111 ? 0.4484 0.5734 0.3655 0.0175 -0.0698 0.0462 107 GLY L C 5176 O O . GLY B 111 ? 0.4892 0.6486 0.4322 0.0109 -0.0929 0.0532 107 GLY L O 5180 N N . GLN B 112 ? 0.4014 0.4928 0.2895 0.0064 -0.0610 0.0331 108 GLN L N 5181 C CA . GLN B 112 ? 0.4246 0.5073 0.3007 -0.0130 -0.0774 0.0242 108 GLN L CA 5182 C C . GLN B 112 ? 0.4654 0.4998 0.2952 -0.0149 -0.0633 0.0116 108 GLN L C 5183 O O . GLN B 112 ? 0.4453 0.4644 0.2665 -0.0049 -0.0396 0.0108 108 GLN L O 5184 C CB . GLN B 112 ? 0.4285 0.5422 0.3504 -0.0269 -0.0773 0.0240 108 GLN L CB 5185 C CG . GLN B 112 ? 0.5011 0.6099 0.4354 -0.0242 -0.0500 0.0195 108 GLN L CG 5186 C CD . GLN B 112 ? 0.6189 0.7525 0.5897 -0.0382 -0.0500 0.0205 108 GLN L CD 5187 O OE1 . GLN B 112 ? 0.6209 0.7817 0.6239 -0.0329 -0.0374 0.0268 108 GLN L OE1 5188 N NE2 . GLN B 112 ? 0.7082 0.8270 0.6690 -0.0560 -0.0630 0.0144 108 GLN L NE2 5197 N N . PRO B 113 ? 0.5276 0.5372 0.3277 -0.0280 -0.0773 0.0020 109 PRO L N 5198 C CA . PRO B 113 ? 0.5441 0.5072 0.2995 -0.0264 -0.0614 -0.0098 109 PRO L CA 5199 C C . PRO B 113 ? 0.5180 0.4847 0.2989 -0.0239 -0.0347 -0.0126 109 PRO L C 5200 O O . PRO B 113 ? 0.5210 0.5128 0.3418 -0.0321 -0.0357 -0.0113 109 PRO L O 5201 C CB . PRO B 113 ? 0.5780 0.5173 0.3075 -0.0430 -0.0831 -0.0201 109 PRO L CB 5202 C CG . PRO B 113 ? 0.6093 0.5763 0.3524 -0.0524 -0.1158 -0.0122 109 PRO L CG 5203 C CD . PRO B 113 ? 0.5614 0.5827 0.3658 -0.0449 -0.1094 0.0021 109 PRO L CD 5211 N N . LYS B 114 ? 0.5273 0.4710 0.2859 -0.0132 -0.0115 -0.0147 110 LYS L N 5212 C CA . LYS B 114 ? 0.5090 0.4576 0.2916 -0.0114 0.0108 -0.0163 110 LYS L CA 5213 C C . LYS B 114 ? 0.5485 0.4804 0.3262 -0.0184 0.0090 -0.0253 110 LYS L C 5214 O O . LYS B 114 ? 0.6276 0.5249 0.3637 -0.0197 0.0019 -0.0334 110 LYS L O 5215 C CB . LYS B 114 ? 0.5272 0.4585 0.2905 -0.0001 0.0351 -0.0144 110 LYS L CB 5216 C CG . LYS B 114 ? 0.5453 0.4894 0.3197 0.0054 0.0424 -0.0045 110 LYS L CG 5217 C CD . LYS B 114 ? 0.5853 0.5154 0.3488 0.0115 0.0681 -0.0013 110 LYS L CD 5218 C CE . LYS B 114 ? 0.5700 0.5055 0.3432 0.0137 0.0760 0.0085 110 LYS L CE 5219 N NZ . LYS B 114 ? 0.5897 0.5150 0.3583 0.0151 0.1012 0.0134 110 LYS L NZ 5233 N N . ALA B 115 ? 0.5012 0.4525 0.3163 -0.0223 0.0151 -0.0238 111 ALA L N 5234 C CA . ALA B 115 ? 0.5018 0.4357 0.3148 -0.0276 0.0141 -0.0299 111 ALA L CA 5235 C C . ALA B 115 ? 0.4784 0.4200 0.3143 -0.0200 0.0341 -0.0275 111 ALA L C 5236 O O . ALA B 115 ? 0.4180 0.3899 0.2865 -0.0199 0.0399 -0.0206 111 ALA L O 5237 C CB . ALA B 115 ? 0.4734 0.4247 0.3105 -0.0437 -0.0054 -0.0277 111 ALA L CB 5243 N N . ALA B 116 ? 0.5056 0.4179 0.3222 -0.0129 0.0439 -0.0330 112 ALA L N 5244 C CA . ALA B 116 ? 0.4710 0.3933 0.3130 -0.0044 0.0600 -0.0288 112 ALA L CA 5245 C C . ALA B 116 ? 0.5057 0.4375 0.3724 -0.0139 0.0493 -0.0258 112 ALA L C 5246 O O . ALA B 116 ? 0.5745 0.4898 0.4292 -0.0254 0.0340 -0.0295 112 ALA L O 5247 C CB . ALA B 116 ? 0.4686 0.3566 0.2822 0.0110 0.0767 -0.0340 112 ALA L CB 5253 N N . PRO B 117 ? 0.4836 0.4414 0.3839 -0.0109 0.0564 -0.0180 113 PRO L N 5254 C CA . PRO B 117 ? 0.5232 0.4898 0.4432 -0.0191 0.0476 -0.0129 113 PRO L CA 5255 C C . PRO B 117 ? 0.5500 0.4827 0.4566 -0.0141 0.0486 -0.0146 113 PRO L C 5256 O O . PRO B 117 ? 0.5368 0.4523 0.4338 0.0021 0.0621 -0.0163 113 PRO L O 5257 C CB . PRO B 117 ? 0.5339 0.5341 0.4851 -0.0158 0.0539 -0.0046 113 PRO L CB 5258 C CG . PRO B 117 ? 0.5468 0.5485 0.4987 -0.0030 0.0689 -0.0047 113 PRO L CG 5259 C CD . PRO B 117 ? 0.5209 0.5007 0.4411 -0.0012 0.0717 -0.0124 113 PRO L CD 5267 N N . SER B 118 ? 0.5669 0.4887 0.4726 -0.0271 0.0362 -0.0129 114 SER L N 5268 C CA . SER B 118 ? 0.5859 0.4726 0.4806 -0.0233 0.0367 -0.0119 114 SER L CA 5269 C C . SER B 118 ? 0.5639 0.4756 0.4884 -0.0198 0.0390 0.0010 114 SER L C 5270 O O . SER B 118 ? 0.5259 0.4686 0.4696 -0.0313 0.0329 0.0076 114 SER L O 5271 C CB . SER B 118 ? 0.6467 0.5028 0.5222 -0.0427 0.0212 -0.0157 114 SER L CB 5272 O OG . SER B 118 ? 0.6691 0.5550 0.5707 -0.0600 0.0121 -0.0059 114 SER L OG 5278 N N . VAL B 119 ? 0.6064 0.5042 0.5326 -0.0021 0.0480 0.0051 115 VAL L N 5279 C CA . VAL B 119 ? 0.5849 0.5092 0.5387 0.0039 0.0479 0.0186 115 VAL L CA 5280 C C . VAL B 119 ? 0.6137 0.5036 0.5582 0.0085 0.0452 0.0260 115 VAL L C 5281 O O . VAL B 119 ? 0.6859 0.5363 0.6124 0.0237 0.0528 0.0225 115 VAL L O 5282 C CB . VAL B 119 ? 0.6140 0.5655 0.5902 0.0226 0.0594 0.0224 115 VAL L CB 5283 C CG1 . VAL B 119 ? 0.6535 0.6356 0.6583 0.0263 0.0537 0.0370 115 VAL L CG1 5284 C CG2 . VAL B 119 ? 0.5721 0.5506 0.5540 0.0168 0.0632 0.0162 115 VAL L CG2 5294 N N . THR B 120 ? 0.5631 0.4640 0.5161 -0.0036 0.0360 0.0368 116 THR L N 5295 C CA . THR B 120 ? 0.6002 0.4683 0.5437 -0.0007 0.0329 0.0473 116 THR L CA 5296 C C . THR B 120 ? 0.5813 0.4802 0.5458 0.0079 0.0295 0.0635 116 THR L C 5297 O O . THR B 120 ? 0.5526 0.4869 0.5277 -0.0040 0.0240 0.0676 116 THR L O 5298 C CB . THR B 120 ? 0.6399 0.4868 0.5688 -0.0260 0.0244 0.0488 116 THR L CB 5299 O OG1 . THR B 120 ? 0.6974 0.5191 0.6076 -0.0371 0.0223 0.0340 116 THR L OG1 5300 C CG2 . THR B 120 ? 0.6588 0.4635 0.5738 -0.0240 0.0223 0.0610 116 THR L CG2 5308 N N . LEU B 121 ? 0.5709 0.4543 0.5389 0.0297 0.0323 0.0727 117 LEU L N 5309 C CA . LEU B 121 ? 0.5466 0.4610 0.5354 0.0397 0.0255 0.0895 117 LEU L CA 5310 C C . LEU B 121 ? 0.5588 0.4397 0.5312 0.0410 0.0192 0.1053 117 LEU L C 5311 O O . LEU B 121 ? 0.5651 0.4012 0.5248 0.0563 0.0241 0.1085 117 LEU L O 5312 C CB . LEU B 121 ? 0.5641 0.4999 0.5798 0.0664 0.0324 0.0929 117 LEU L CB 5313 C CG . LEU B 121 ? 0.5826 0.5606 0.6275 0.0764 0.0212 0.1108 117 LEU L CG 5314 C CD1 . LEU B 121 ? 0.5492 0.5648 0.5971 0.0538 0.0084 0.1104 117 LEU L CD1 5315 C CD2 . LEU B 121 ? 0.5865 0.5969 0.6685 0.0996 0.0297 0.1142 117 LEU L CD2 5327 N N . PHE B 122 ? 0.5560 0.4544 0.5245 0.0258 0.0097 0.1153 118 PHE L N 5328 C CA . PHE B 122 ? 0.6345 0.5018 0.5836 0.0241 0.0044 0.1328 118 PHE L CA 5329 C C . PHE B 122 ? 0.6746 0.5593 0.6345 0.0443 -0.0055 0.1516 118 PHE L C 5330 O O . PHE B 122 ? 0.6865 0.6177 0.6613 0.0431 -0.0145 0.1541 118 PHE L O 5331 C CB . PHE B 122 ? 0.6285 0.5037 0.5629 -0.0027 0.0022 0.1357 118 PHE L CB 5332 C CG . PHE B 122 ? 0.6284 0.4883 0.5563 -0.0241 0.0088 0.1225 118 PHE L CG 5333 C CD1 . PHE B 122 ? 0.6529 0.4623 0.5628 -0.0340 0.0107 0.1257 118 PHE L CD1 5334 C CD2 . PHE B 122 ? 0.5763 0.4715 0.5162 -0.0350 0.0113 0.1082 118 PHE L CD2 5335 C CE1 . PHE B 122 ? 0.6152 0.4150 0.5226 -0.0566 0.0125 0.1148 118 PHE L CE1 5336 C CE2 . PHE B 122 ? 0.5488 0.4355 0.4866 -0.0538 0.0143 0.0984 118 PHE L CE2 5337 C CZ . PHE B 122 ? 0.5613 0.4030 0.4845 -0.0657 0.0137 0.1017 118 PHE L CZ 5347 N N . PRO B 123 ? 0.7208 0.5657 0.6717 0.0629 -0.0055 0.1654 119 PRO L N 5348 C CA . PRO B 123 ? 0.7672 0.6274 0.7273 0.0829 -0.0179 0.1875 119 PRO L CA 5349 C C . PRO B 123 ? 0.8117 0.6719 0.7460 0.0662 -0.0292 0.2027 119 PRO L C 5350 O O . PRO B 123 ? 0.8158 0.6550 0.7262 0.0422 -0.0230 0.1986 119 PRO L O 5351 C CB . PRO B 123 ? 0.8329 0.6379 0.7839 0.1081 -0.0113 0.1972 119 PRO L CB 5352 C CG . PRO B 123 ? 0.8481 0.6134 0.7871 0.1029 0.0048 0.1758 119 PRO L CG 5353 C CD . PRO B 123 ? 0.7897 0.5705 0.7200 0.0681 0.0049 0.1609 119 PRO L CD 5361 N N . PRO B 124 ? 0.8418 0.7269 0.7808 0.0788 -0.0457 0.2213 120 PRO L N 5362 C CA . PRO B 124 ? 0.8392 0.7186 0.7444 0.0657 -0.0561 0.2373 120 PRO L CA 5363 C C . PRO B 124 ? 0.8378 0.6544 0.7085 0.0607 -0.0475 0.2502 120 PRO L C 5364 O O . PRO B 124 ? 0.8323 0.6090 0.7035 0.0805 -0.0448 0.2594 120 PRO L O 5365 C CB . PRO B 124 ? 0.8625 0.7705 0.7801 0.0870 -0.0780 0.2571 120 PRO L CB 5366 C CG . PRO B 124 ? 0.8292 0.7817 0.7969 0.1016 -0.0791 0.2466 120 PRO L CG 5367 C CD . PRO B 124 ? 0.8374 0.7597 0.8139 0.1055 -0.0560 0.2297 120 PRO L CD 5375 N N . SER B 125 ? 0.8271 0.6335 0.6683 0.0348 -0.0418 0.2517 121 SER L N 5376 C CA . SER B 125 ? 0.8666 0.6162 0.6772 0.0244 -0.0329 0.2661 121 SER L CA 5377 C C . SER B 125 ? 0.9312 0.6548 0.7180 0.0429 -0.0450 0.2954 121 SER L C 5378 O O . SER B 125 ? 0.9573 0.7147 0.7422 0.0543 -0.0616 0.3054 121 SER L O 5379 C CB . SER B 125 ? 0.8780 0.6345 0.6687 -0.0067 -0.0222 0.2644 121 SER L CB 5380 O OG . SER B 125 ? 0.9117 0.6912 0.6774 -0.0076 -0.0302 0.2774 121 SER L OG 5386 N N . SER B 126 ? 0.9718 0.6323 0.7380 0.0449 -0.0383 0.3097 122 SER L N 5387 C CA . SER B 126 ? 1.0229 0.6497 0.7626 0.0639 -0.0488 0.3401 122 SER L CA 5388 C C . SER B 126 ? 1.0137 0.6568 0.7180 0.0502 -0.0553 0.3575 122 SER L C 5389 O O . SER B 126 ? 1.0319 0.6819 0.7205 0.0688 -0.0728 0.3764 122 SER L O 5390 C CB . SER B 126 ? 1.1361 0.6821 0.8531 0.0622 -0.0375 0.3513 122 SER L CB 5391 O OG . SER B 126 ? 1.2760 0.7950 0.9755 0.0806 -0.0492 0.3771 122 SER L OG 5397 N N . GLU B 127 ? 1.0076 0.6579 0.6981 0.0189 -0.0406 0.3495 123 GLU L N 5398 C CA . GLU B 127 ? 1.0799 0.7423 0.7320 0.0069 -0.0387 0.3611 123 GLU L CA 5399 C C . GLU B 127 ? 0.9657 0.6813 0.6165 0.0164 -0.0583 0.3560 123 GLU L C 5400 O O . GLU B 127 ? 0.9929 0.7096 0.6101 0.0257 -0.0685 0.3670 123 GLU L O 5401 C CB . GLU B 127 ? 1.2510 0.9199 0.9002 -0.0250 -0.0146 0.3508 123 GLU L CB 5402 C CG . GLU B 127 ? 1.4888 1.1116 1.1432 -0.0402 0.0033 0.3555 123 GLU L CG 5403 C CD . GLU B 127 ? 1.6324 1.2725 1.2907 -0.0699 0.0264 0.3496 123 GLU L CD 5404 O OE1 . GLU B 127 ? 1.6771 1.3586 1.3267 -0.0746 0.0317 0.3434 123 GLU L OE1 5405 O OE2 . GLU B 127 ? 1.6799 1.2929 1.3519 -0.0876 0.0391 0.3509 123 GLU L OE2 5412 N N . GLU B 128 ? 0.8635 0.6233 0.5524 0.0152 -0.0609 0.3314 124 GLU L N 5413 C CA . GLU B 128 ? 0.8827 0.6920 0.5744 0.0205 -0.0796 0.3229 124 GLU L CA 5414 C C . GLU B 128 ? 0.9285 0.7452 0.6282 0.0475 -0.1071 0.3404 124 GLU L C 5415 O O . GLU B 128 ? 0.9306 0.7684 0.6080 0.0508 -0.1273 0.3459 124 GLU L O 5416 C CB . GLU B 128 ? 0.8577 0.7080 0.5931 0.0147 -0.0746 0.2922 124 GLU L CB 5417 C CG . GLU B 128 ? 0.9082 0.8043 0.6429 0.0132 -0.0919 0.2813 124 GLU L CG 5418 C CD . GLU B 128 ? 0.9485 0.8795 0.7246 0.0072 -0.0855 0.2531 124 GLU L CD 5419 O OE1 . GLU B 128 ? 0.9564 0.8793 0.7642 0.0087 -0.0710 0.2431 124 GLU L OE1 5420 O OE2 . GLU B 128 ? 0.9558 0.9177 0.7279 0.0004 -0.0955 0.2411 124 GLU L OE2 5427 N N . LEU B 129 ? 0.9656 0.7641 0.6973 0.0680 -0.1066 0.3458 125 LEU L N 5428 C CA . LEU B 129 ? 1.0034 0.8109 0.7512 0.0984 -0.1299 0.3649 125 LEU L CA 5429 C C . LEU B 129 ? 1.0706 0.8474 0.7666 0.1038 -0.1400 0.3824 125 LEU L C 5430 O O . LEU B 129 ? 1.0853 0.8888 0.7790 0.1171 -0.1648 0.3885 125 LEU L O 5431 C CB . LEU B 129 ? 1.0298 0.8098 0.8124 0.1222 -0.1198 0.3669 125 LEU L CB 5432 C CG . LEU B 129 ? 1.0166 0.8296 0.8523 0.1255 -0.1094 0.3395 125 LEU L CG 5433 C CD1 . LEU B 129 ? 1.0898 0.8603 0.9439 0.1497 -0.0953 0.3408 125 LEU L CD1 5434 C CD2 . LEU B 129 ? 0.9768 0.8606 0.8525 0.1356 -0.1306 0.3369 125 LEU L CD2 5446 N N . GLN B 130 ? 1.1182 0.8396 0.7734 0.0928 -0.1206 0.3908 126 GLN L N 5447 C CA . GLN B 130 ? 1.2546 0.9432 0.8561 0.0987 -0.1243 0.4093 126 GLN L CA 5448 C C . GLN B 130 ? 1.2232 0.9465 0.7917 0.0869 -0.1325 0.4046 126 GLN L C 5449 O O . GLN B 130 ? 1.2849 1.0028 0.8172 0.0988 -0.1459 0.4187 126 GLN L O 5450 C CB . GLN B 130 ? 1.4154 1.0459 0.9874 0.0866 -0.0950 0.4196 126 GLN L CB 5451 C CG . GLN B 130 ? 1.5545 1.1374 1.1494 0.0937 -0.0876 0.4198 126 GLN L CG 5452 C CD . GLN B 130 ? 1.6645 1.2429 1.2836 0.1217 -0.1178 0.4283 126 GLN L CD 5453 O OE1 . GLN B 130 ? 1.7744 1.3366 1.3729 0.1345 -0.1354 0.4457 126 GLN L OE1 5454 N NE2 . GLN B 130 ? 1.6174 1.2217 1.2902 0.1356 -0.1170 0.4164 126 GLN L NE2 5463 N N . ALA B 131 ? 1.1382 0.8938 0.7163 0.0647 -0.1244 0.3842 127 ALA L N 5464 C CA . ALA B 131 ? 1.1405 0.9236 0.6852 0.0535 -0.1311 0.3744 127 ALA L CA 5465 C C . ALA B 131 ? 1.1426 0.9734 0.7120 0.0625 -0.1641 0.3655 127 ALA L C 5466 O O . ALA B 131 ? 1.1740 1.0282 0.7204 0.0518 -0.1734 0.3525 127 ALA L O 5467 C CB . ALA B 131 ? 1.0841 0.8760 0.6255 0.0278 -0.1061 0.3556 127 ALA L CB 5473 N N . ASN B 132 ? 1.1178 0.9629 0.7363 0.0822 -0.1801 0.3720 128 ASN L N 5474 C CA . ASN B 132 ? 1.1155 1.0121 0.7700 0.0920 -0.2111 0.3670 128 ASN L CA 5475 C C . ASN B 132 ? 1.0514 0.9924 0.7375 0.0735 -0.2118 0.3432 128 ASN L C 5476 O O . ASN B 132 ? 1.0146 0.9906 0.7017 0.0669 -0.2340 0.3331 128 ASN L O 5477 C CB . ASN B 132 ? 1.2088 1.1086 0.8180 0.0961 -0.2351 0.3744 128 ASN L CB 5478 C CG . ASN B 132 ? 1.2498 1.1986 0.9021 0.1098 -0.2698 0.3757 128 ASN L CG 5479 O OD1 . ASN B 132 ? 1.2236 1.1950 0.9383 0.1263 -0.2737 0.3798 128 ASN L OD1 5480 N ND2 . ASN B 132 ? 1.3167 1.2834 0.9377 0.1031 -0.2936 0.3721 128 ASN L ND2 5487 N N . LYS B 133 ? 1.0456 0.9820 0.7559 0.0646 -0.1879 0.3344 129 LYS L N 5488 C CA . LYS B 133 ? 0.9765 0.9515 0.7181 0.0494 -0.1858 0.3136 129 LYS L CA 5489 C C . LYS B 133 ? 0.8499 0.8263 0.6470 0.0580 -0.1642 0.3033 129 LYS L C 5490 O O . LYS B 133 ? 0.8270 0.7669 0.6261 0.0704 -0.1505 0.3148 129 LYS L O 5491 C CB . LYS B 133 ? 1.0505 1.0117 0.7441 0.0240 -0.1691 0.2976 129 LYS L CB 5492 C CG . LYS B 133 ? 1.1935 1.1629 0.8435 0.0153 -0.1867 0.2880 129 LYS L CG 5493 C CD . LYS B 133 ? 1.3239 1.2631 0.9135 0.0001 -0.1629 0.2792 129 LYS L CD 5494 C CE . LYS B 133 ? 1.4056 1.3509 0.9527 -0.0083 -0.1772 0.2639 129 LYS L CE 5495 N NZ . LYS B 133 ? 1.3682 1.3422 0.9400 -0.0217 -0.1825 0.2402 129 LYS L NZ 5509 N N . ALA B 134 ? 0.7663 0.7794 0.6035 0.0510 -0.1604 0.2802 130 ALA L N 5510 C CA . ALA B 134 ? 0.6872 0.7028 0.5730 0.0599 -0.1403 0.2677 130 ALA L CA 5511 C C . ALA B 134 ? 0.6409 0.6828 0.5454 0.0423 -0.1292 0.2397 130 ALA L C 5512 O O . ALA B 134 ? 0.6664 0.7483 0.5886 0.0364 -0.1452 0.2328 130 ALA L O 5513 C CB . ALA B 134 ? 0.6690 0.7107 0.6056 0.0876 -0.1532 0.2815 130 ALA L CB 5519 N N . THR B 135 ? 0.6219 0.6398 0.5221 0.0329 -0.1034 0.2247 131 THR L N 5520 C CA . THR B 135 ? 0.6037 0.6417 0.5202 0.0188 -0.0914 0.1998 131 THR L CA 5521 C C . THR B 135 ? 0.6050 0.6313 0.5512 0.0259 -0.0715 0.1888 131 THR L C 5522 O O . THR B 135 ? 0.6086 0.5959 0.5408 0.0265 -0.0584 0.1921 131 THR L O 5523 C CB . THR B 135 ? 0.6188 0.6434 0.4946 -0.0027 -0.0801 0.1898 131 THR L CB 5524 O OG1 . THR B 135 ? 0.6667 0.6917 0.5018 -0.0080 -0.0963 0.1996 131 THR L OG1 5525 C CG2 . THR B 135 ? 0.5704 0.6168 0.4626 -0.0141 -0.0709 0.1659 131 THR L CG2 5533 N N . LEU B 136 ? 0.5699 0.6270 0.5537 0.0298 -0.0699 0.1764 132 LEU L N 5534 C CA . LEU B 136 ? 0.5420 0.5876 0.5457 0.0350 -0.0505 0.1629 132 LEU L CA 5535 C C . LEU B 136 ? 0.5383 0.5863 0.5319 0.0145 -0.0391 0.1426 132 LEU L C 5536 O O . LEU B 136 ? 0.5691 0.6454 0.5659 0.0040 -0.0448 0.1345 132 LEU L O 5537 C CB . LEU B 136 ? 0.5438 0.6216 0.5933 0.0528 -0.0512 0.1629 132 LEU L CB 5538 C CG . LEU B 136 ? 0.6361 0.7126 0.7055 0.0803 -0.0573 0.1832 132 LEU L CG 5539 C CD1 . LEU B 136 ? 0.5967 0.7223 0.7190 0.0952 -0.0591 0.1859 132 LEU L CD1 5540 C CD2 . LEU B 136 ? 0.7372 0.7594 0.7909 0.0941 -0.0400 0.1831 132 LEU L CD2 5552 N N . VAL B 137 ? 0.5265 0.5433 0.5076 0.0086 -0.0243 0.1352 133 VAL L N 5553 C CA . VAL B 137 ? 0.4900 0.5110 0.4645 -0.0088 -0.0144 0.1189 133 VAL L CA 5554 C C . VAL B 137 ? 0.5198 0.5360 0.5111 -0.0046 -0.0034 0.1043 133 VAL L C 5555 O O . VAL B 137 ? 0.5455 0.5298 0.5334 0.0023 0.0027 0.1044 133 VAL L O 5556 C CB . VAL B 137 ? 0.5077 0.5038 0.4560 -0.0236 -0.0078 0.1231 133 VAL L CB 5557 C CG1 . VAL B 137 ? 0.4728 0.4831 0.4204 -0.0389 0.0013 0.1090 133 VAL L CG1 5558 C CG2 . VAL B 137 ? 0.5171 0.5103 0.4408 -0.0256 -0.0158 0.1400 133 VAL L CG2 5568 N N . CYS B 138 ? 0.5239 0.5663 0.5277 -0.0091 -0.0009 0.0917 134 CYS L N 5569 C CA . CYS B 138 ? 0.4784 0.5167 0.4922 -0.0056 0.0097 0.0784 134 CYS L CA 5570 C C . CYS B 138 ? 0.4374 0.4729 0.4390 -0.0216 0.0150 0.0669 134 CYS L C 5571 O O . CYS B 138 ? 0.4169 0.4744 0.4193 -0.0295 0.0144 0.0617 134 CYS L O 5572 C CB . CYS B 138 ? 0.4513 0.5213 0.4910 0.0021 0.0100 0.0754 134 CYS L CB 5573 S SG . CYS B 138 ? 0.5089 0.5710 0.5566 0.0112 0.0262 0.0626 134 CYS L SG 5578 N N . LEU B 139 ? 0.4244 0.4315 0.4146 -0.0264 0.0191 0.0636 135 LEU L N 5579 C CA . LEU B 139 ? 0.4320 0.4407 0.4168 -0.0411 0.0217 0.0552 135 LEU L CA 5580 C C . LEU B 139 ? 0.4270 0.4356 0.4144 -0.0370 0.0261 0.0416 135 LEU L C 5581 O O . LEU B 139 ? 0.4609 0.4439 0.4414 -0.0287 0.0289 0.0371 135 LEU L O 5582 C CB . LEU B 139 ? 0.5512 0.5317 0.5246 -0.0530 0.0203 0.0598 135 LEU L CB 5583 C CG . LEU B 139 ? 0.6553 0.6378 0.6294 -0.0685 0.0200 0.0523 135 LEU L CG 5584 C CD1 . LEU B 139 ? 0.6563 0.6758 0.6403 -0.0757 0.0232 0.0539 135 LEU L CD1 5585 C CD2 . LEU B 139 ? 0.7357 0.6872 0.7012 -0.0832 0.0161 0.0578 135 LEU L CD2 5597 N N . ILE B 140 ? 0.4000 0.4327 0.3925 -0.0416 0.0277 0.0356 136 ILE L N 5598 C CA . ILE B 140 ? 0.3894 0.4222 0.3808 -0.0383 0.0318 0.0248 136 ILE L CA 5599 C C . ILE B 140 ? 0.4015 0.4386 0.3889 -0.0500 0.0291 0.0207 136 ILE L C 5600 O O . ILE B 140 ? 0.3920 0.4504 0.3856 -0.0554 0.0295 0.0236 136 ILE L O 5601 C CB . ILE B 140 ? 0.3607 0.4171 0.3630 -0.0328 0.0355 0.0231 136 ILE L CB 5602 C CG1 . ILE B 140 ? 0.3944 0.4605 0.4097 -0.0253 0.0334 0.0315 136 ILE L CG1 5603 C CG2 . ILE B 140 ? 0.3357 0.3867 0.3345 -0.0266 0.0425 0.0150 136 ILE L CG2 5604 C CD1 . ILE B 140 ? 0.4066 0.4977 0.4354 -0.0260 0.0330 0.0315 136 ILE L CD1 5616 N N . SER B 141 ? 0.4296 0.4461 0.4056 -0.0530 0.0259 0.0143 137 SER L N 5617 C CA . SER B 141 ? 0.4737 0.4982 0.4514 -0.0659 0.0190 0.0133 137 SER L CA 5618 C C . SER B 141 ? 0.4679 0.4799 0.4308 -0.0654 0.0142 0.0037 137 SER L C 5619 O O . SER B 141 ? 0.4654 0.4517 0.4090 -0.0560 0.0178 -0.0033 137 SER L O 5620 C CB . SER B 141 ? 0.5540 0.5657 0.5327 -0.0805 0.0124 0.0198 137 SER L CB 5621 O OG . SER B 141 ? 0.6211 0.5906 0.5797 -0.0796 0.0091 0.0152 137 SER L OG 5627 N N . ASP B 142 ? 0.4757 0.5072 0.4471 -0.0741 0.0067 0.0048 138 ASP L N 5628 C CA . ASP B 142 ? 0.5249 0.5465 0.4807 -0.0765 -0.0033 -0.0020 138 ASP L CA 5629 C C . ASP B 142 ? 0.5077 0.5192 0.4445 -0.0610 0.0048 -0.0088 138 ASP L C 5630 O O . ASP B 142 ? 0.5155 0.4959 0.4228 -0.0580 0.0025 -0.0168 138 ASP L O 5631 C CB . ASP B 142 ? 0.5874 0.5715 0.5217 -0.0882 -0.0152 -0.0073 138 ASP L CB 5632 C CG . ASP B 142 ? 0.6529 0.6451 0.6069 -0.1078 -0.0238 0.0013 138 ASP L CG 5633 O OD1 . ASP B 142 ? 0.5952 0.6139 0.5683 -0.1216 -0.0357 0.0063 138 ASP L OD1 5634 O OD2 . ASP B 142 ? 0.7733 0.7470 0.7259 -0.1092 -0.0184 0.0049 138 ASP L OD2 5639 N N . PHE B 143 ? 0.4665 0.5006 0.4167 -0.0521 0.0152 -0.0055 139 PHE L N 5640 C CA . PHE B 143 ? 0.4869 0.5138 0.4228 -0.0404 0.0240 -0.0092 139 PHE L CA 5641 C C . PHE B 143 ? 0.5138 0.5600 0.4552 -0.0374 0.0231 -0.0061 139 PHE L C 5642 O O . PHE B 143 ? 0.4742 0.5444 0.4360 -0.0404 0.0209 -0.0008 139 PHE L O 5643 C CB . PHE B 143 ? 0.4348 0.4632 0.3791 -0.0327 0.0379 -0.0078 139 PHE L CB 5644 C CG . PHE B 143 ? 0.3879 0.4404 0.3549 -0.0356 0.0397 -0.0020 139 PHE L CG 5645 C CD1 . PHE B 143 ? 0.3479 0.4135 0.3196 -0.0335 0.0441 -0.0009 139 PHE L CD1 5646 C CD2 . PHE B 143 ? 0.3662 0.4220 0.3434 -0.0402 0.0370 0.0022 139 PHE L CD2 5647 C CE1 . PHE B 143 ? 0.3546 0.4342 0.3374 -0.0361 0.0455 0.0022 139 PHE L CE1 5648 C CE2 . PHE B 143 ? 0.3188 0.3923 0.3079 -0.0425 0.0384 0.0070 139 PHE L CE2 5649 C CZ . PHE B 143 ? 0.3271 0.4115 0.3172 -0.0406 0.0424 0.0059 139 PHE L CZ 5659 N N . TYR B 144 ? 0.5325 0.5655 0.4534 -0.0298 0.0268 -0.0085 140 TYR L N 5660 C CA . TYR B 144 ? 0.4825 0.5256 0.4030 -0.0242 0.0264 -0.0045 140 TYR L CA 5661 C C . TYR B 144 ? 0.4794 0.5021 0.3759 -0.0159 0.0374 -0.0055 140 TYR L C 5662 O O . TYR B 144 ? 0.4868 0.4868 0.3574 -0.0139 0.0386 -0.0098 140 TYR L O 5663 C CB . TYR B 144 ? 0.4571 0.5082 0.3753 -0.0275 0.0086 -0.0023 140 TYR L CB 5664 C CG . TYR B 144 ? 0.4373 0.5019 0.3595 -0.0181 0.0072 0.0044 140 TYR L CG 5665 C CD1 . TYR B 144 ? 0.4490 0.4954 0.3424 -0.0102 0.0048 0.0055 140 TYR L CD1 5666 C CD2 . TYR B 144 ? 0.3840 0.4760 0.3350 -0.0149 0.0100 0.0106 140 TYR L CD2 5667 C CE1 . TYR B 144 ? 0.4642 0.5191 0.3598 0.0008 0.0034 0.0134 140 TYR L CE1 5668 C CE2 . TYR B 144 ? 0.3880 0.4884 0.3416 -0.0023 0.0106 0.0173 140 TYR L CE2 5669 C CZ . TYR B 144 ? 0.4455 0.5270 0.3725 0.0056 0.0064 0.0191 140 TYR L CZ 5670 O OH . TYR B 144 ? 0.4591 0.5455 0.3876 0.0203 0.0067 0.0275 140 TYR L OH 5680 N N . PRO B 145 ? 0.4615 0.4882 0.3632 -0.0112 0.0468 -0.0014 141 PRO L N 5681 C CA . PRO B 145 ? 0.4183 0.4621 0.3406 -0.0110 0.0476 0.0018 141 PRO L CA 5682 C C . PRO B 145 ? 0.3960 0.4516 0.3385 -0.0177 0.0511 0.0002 141 PRO L C 5683 O O . PRO B 145 ? 0.3743 0.4266 0.3190 -0.0213 0.0532 -0.0020 141 PRO L O 5684 C CB . PRO B 145 ? 0.4267 0.4556 0.3373 -0.0058 0.0584 0.0048 141 PRO L CB 5685 C CG . PRO B 145 ? 0.4852 0.4945 0.3695 -0.0021 0.0613 0.0057 141 PRO L CG 5686 C CD . PRO B 145 ? 0.4774 0.4855 0.3593 -0.0059 0.0595 0.0004 141 PRO L CD 5694 N N . GLY B 146 ? 0.3822 0.4489 0.3357 -0.0174 0.0524 0.0017 142 GLY L N 5695 C CA . GLY B 146 ? 0.4142 0.4909 0.3802 -0.0235 0.0533 0.0010 142 GLY L CA 5696 C C . GLY B 146 ? 0.4478 0.5172 0.4124 -0.0274 0.0591 -0.0007 142 GLY L C 5697 O O . GLY B 146 ? 0.4900 0.5576 0.4511 -0.0281 0.0611 -0.0019 142 GLY L O 5701 N N . ALA B 147 ? 0.4125 0.4777 0.3795 -0.0301 0.0617 -0.0006 143 ALA L N 5702 C CA . ALA B 147 ? 0.3647 0.4303 0.3387 -0.0370 0.0643 -0.0001 143 ALA L CA 5703 C C . ALA B 147 ? 0.3643 0.4395 0.3537 -0.0377 0.0659 0.0029 143 ALA L C 5704 O O . ALA B 147 ? 0.4273 0.4970 0.4130 -0.0318 0.0724 0.0036 143 ALA L O 5705 C CB . ALA B 147 ? 0.3848 0.4349 0.3490 -0.0382 0.0710 0.0003 143 ALA L CB 5711 N N . VAL B 148 ? 0.3551 0.4433 0.3590 -0.0431 0.0602 0.0052 144 VAL L N 5712 C CA . VAL B 148 ? 0.3744 0.4755 0.3981 -0.0403 0.0615 0.0103 144 VAL L CA 5713 C C . VAL B 148 ? 0.3861 0.5052 0.4298 -0.0494 0.0543 0.0151 144 VAL L C 5714 O O . VAL B 148 ? 0.4692 0.5850 0.5035 -0.0587 0.0457 0.0125 144 VAL L O 5715 C CB . VAL B 148 ? 0.3694 0.4686 0.3915 -0.0343 0.0570 0.0108 144 VAL L CB 5716 C CG1 . VAL B 148 ? 0.3478 0.4294 0.3514 -0.0288 0.0602 0.0061 144 VAL L CG1 5717 C CG2 . VAL B 148 ? 0.3631 0.4658 0.3806 -0.0404 0.0468 0.0114 144 VAL L CG2 5727 N N . THR B 149 ? 0.3225 0.4602 0.3927 -0.0459 0.0576 0.0225 145 THR L N 5728 C CA . THR B 149 ? 0.3324 0.4951 0.4287 -0.0537 0.0463 0.0300 145 THR L CA 5729 C C . THR B 149 ? 0.3310 0.5074 0.4455 -0.0405 0.0447 0.0377 145 THR L C 5730 O O . THR B 149 ? 0.3564 0.5266 0.4725 -0.0260 0.0581 0.0384 145 THR L O 5731 C CB . THR B 149 ? 0.3532 0.5348 0.4766 -0.0632 0.0512 0.0361 145 THR L CB 5732 O OG1 . THR B 149 ? 0.4286 0.6141 0.5634 -0.0506 0.0713 0.0401 145 THR L OG1 5733 C CG2 . THR B 149 ? 0.2964 0.4575 0.3986 -0.0783 0.0498 0.0292 145 THR L CG2 5741 N N . VAL B 150 ? 0.3056 0.4954 0.4281 -0.0447 0.0281 0.0433 146 VAL L N 5742 C CA . VAL B 150 ? 0.2940 0.4917 0.4296 -0.0307 0.0247 0.0522 146 VAL L CA 5743 C C . VAL B 150 ? 0.3366 0.5728 0.5132 -0.0312 0.0138 0.0660 146 VAL L C 5744 O O . VAL B 150 ? 0.3681 0.6210 0.5534 -0.0485 -0.0007 0.0674 146 VAL L O 5745 C CB . VAL B 150 ? 0.3118 0.4900 0.4180 -0.0323 0.0136 0.0505 146 VAL L CB 5746 C CG1 . VAL B 150 ? 0.3163 0.4963 0.4327 -0.0179 0.0098 0.0615 146 VAL L CG1 5747 C CG2 . VAL B 150 ? 0.3065 0.4554 0.3818 -0.0327 0.0233 0.0396 146 VAL L CG2 5757 N N . ALA B 151 ? 0.3652 0.6143 0.5668 -0.0118 0.0200 0.0764 147 ALA L N 5758 C CA . ALA B 151 ? 0.3592 0.6526 0.6087 -0.0078 0.0102 0.0930 147 ALA L CA 5759 C C . ALA B 151 ? 0.3701 0.6621 0.6280 0.0161 0.0096 0.1041 147 ALA L C 5760 O O . ALA B 151 ? 0.4075 0.6741 0.6542 0.0354 0.0287 0.1011 147 ALA L O 5761 C CB . ALA B 151 ? 0.3108 0.6350 0.6013 -0.0058 0.0273 0.0986 147 ALA L CB 5767 N N . TRP B 152 ? 0.3208 0.6358 0.5945 0.0149 -0.0137 0.1170 148 TRP L N 5768 C CA . TRP B 152 ? 0.2950 0.6058 0.5742 0.0381 -0.0172 0.1302 148 TRP L CA 5769 C C . TRP B 152 ? 0.3224 0.6840 0.6642 0.0565 -0.0164 0.1499 148 TRP L C 5770 O O . TRP B 152 ? 0.2768 0.6867 0.6606 0.0433 -0.0255 0.1570 148 TRP L O 5771 C CB . TRP B 152 ? 0.2998 0.6001 0.5505 0.0281 -0.0439 0.1347 148 TRP L CB 5772 C CG . TRP B 152 ? 0.3341 0.5874 0.5277 0.0153 -0.0410 0.1193 148 TRP L CG 5773 C CD1 . TRP B 152 ? 0.3369 0.5810 0.5045 -0.0072 -0.0432 0.1049 148 TRP L CD1 5774 C CD2 . TRP B 152 ? 0.3606 0.5713 0.5191 0.0243 -0.0345 0.1184 148 TRP L CD2 5775 N NE1 . TRP B 152 ? 0.3339 0.5387 0.4572 -0.0106 -0.0373 0.0962 148 TRP L NE1 5776 C CE2 . TRP B 152 ? 0.3409 0.5259 0.4590 0.0061 -0.0326 0.1045 148 TRP L CE2 5777 C CE3 . TRP B 152 ? 0.4149 0.6046 0.5726 0.0460 -0.0295 0.1288 148 TRP L CE3 5778 C CZ2 . TRP B 152 ? 0.3626 0.5094 0.4460 0.0062 -0.0265 0.1021 148 TRP L CZ2 5779 C CZ3 . TRP B 152 ? 0.4450 0.5886 0.5621 0.0442 -0.0245 0.1249 148 TRP L CZ3 5780 C CH2 . TRP B 152 ? 0.4200 0.5461 0.5034 0.0231 -0.0233 0.1124 148 TRP L CH2 5791 N N . LYS B 153 ? 0.4325 0.7826 0.7817 0.0869 -0.0052 0.1596 149 LYS L N 5792 C CA . LYS B 153 ? 0.5045 0.9033 0.9156 0.1115 -0.0016 0.1808 149 LYS L CA 5793 C C . LYS B 153 ? 0.4493 0.8341 0.8575 0.1377 -0.0111 0.1965 149 LYS L C 5794 O O . LYS B 153 ? 0.4377 0.7630 0.7998 0.1498 -0.0005 0.1890 149 LYS L O 5795 C CB . LYS B 153 ? 0.6676 1.0665 1.0973 0.1321 0.0356 0.1775 149 LYS L CB 5796 C CG . LYS B 153 ? 0.8089 1.2555 1.2793 0.1151 0.0442 0.1779 149 LYS L CG 5797 C CD . LYS B 153 ? 0.9658 1.3935 1.4299 0.1325 0.0837 0.1698 149 LYS L CD 5798 C CE . LYS B 153 ? 1.1122 1.5272 1.5835 0.1707 0.1031 0.1779 149 LYS L CE 5799 N NZ . LYS B 153 ? 1.1876 1.5775 1.6411 0.1852 0.1399 0.1681 149 LYS L NZ 5813 N N . ALA B 154 ? 0.4322 0.8712 0.8901 0.1450 -0.0329 0.2194 150 ALA L N 5814 C CA . ALA B 154 ? 0.4927 0.9247 0.9566 0.1750 -0.0412 0.2388 150 ALA L CA 5815 C C . ALA B 154 ? 0.5630 1.0128 1.0667 0.2029 -0.0167 0.2445 150 ALA L C 5816 O O . ALA B 154 ? 0.5642 1.0666 1.1135 0.1945 -0.0214 0.2500 150 ALA L O 5817 C CB . ALA B 154 ? 0.5202 0.9785 0.9863 0.1584 -0.0816 0.2509 150 ALA L CB 5823 N N . ASP B 155 ? 0.6512 1.0528 1.1336 0.2352 0.0097 0.2428 151 ASP L N 5824 C CA . ASP B 155 ? 0.7494 1.1564 1.2567 0.2623 0.0402 0.2437 151 ASP L CA 5825 C C . ASP B 155 ? 0.7143 1.1428 1.2352 0.2463 0.0620 0.2305 151 ASP L C 5826 O O . ASP B 155 ? 0.6575 1.0501 1.1418 0.2374 0.0766 0.2137 151 ASP L O 5827 C CB . ASP B 155 ? 0.8490 1.3060 1.4062 0.2752 0.0259 0.2638 151 ASP L CB 5828 C CG . ASP B 155 ? 0.9533 1.3828 1.4923 0.2945 0.0068 0.2773 151 ASP L CG 5829 O OD1 . ASP B 155 ? 1.0252 1.3864 1.5133 0.3080 0.0164 0.2713 151 ASP L OD1 5830 O OD2 . ASP B 155 ? 0.9653 1.4379 1.5382 0.2954 -0.0184 0.2941 151 ASP L OD2 5835 N N . SER B 156 ? 0.7390 1.2243 1.3110 0.2422 0.0639 0.2390 152 SER L N 5836 C CA . SER B 156 ? 0.7003 1.2048 1.2844 0.2254 0.0836 0.2293 152 SER L CA 5837 C C . SER B 156 ? 0.6039 1.1481 1.2057 0.1836 0.0562 0.2279 152 SER L C 5838 O O . SER B 156 ? 0.5889 1.1360 1.1869 0.1630 0.0678 0.2170 152 SER L O 5839 C CB . SER B 156 ? 0.7415 1.2807 1.3694 0.2453 0.1056 0.2402 152 SER L CB 5840 O OG . SER B 156 ? 0.7500 1.3492 1.4328 0.2412 0.0799 0.2593 152 SER L OG 5846 N N . SER B 157 ? 0.5343 1.1025 1.1489 0.1710 0.0193 0.2381 153 SER L N 5847 C CA . SER B 157 ? 0.4780 1.0789 1.1047 0.1313 -0.0099 0.2364 153 SER L CA 5848 C C . SER B 157 ? 0.4264 0.9920 1.0038 0.1062 -0.0203 0.2203 153 SER L C 5849 O O . SER B 157 ? 0.4366 0.9638 0.9761 0.1172 -0.0228 0.2177 153 SER L O 5850 C CB . SER B 157 ? 0.5304 1.1656 1.1815 0.1274 -0.0470 0.2524 153 SER L CB 5851 O OG . SER B 157 ? 0.6078 1.2796 1.3084 0.1527 -0.0383 0.2690 153 SER L OG 5857 N N . PRO B 158 ? 0.3800 0.9566 0.9572 0.0726 -0.0260 0.2101 154 PRO L N 5858 C CA . PRO B 158 ? 0.3398 0.8870 0.8719 0.0459 -0.0386 0.1952 154 PRO L CA 5859 C C . PRO B 158 ? 0.3497 0.8970 0.8618 0.0303 -0.0788 0.1993 154 PRO L C 5860 O O . PRO B 158 ? 0.3296 0.9073 0.8680 0.0300 -0.1007 0.2119 154 PRO L O 5861 C CB . PRO B 158 ? 0.3036 0.8632 0.8459 0.0167 -0.0339 0.1860 154 PRO L CB 5862 C CG . PRO B 158 ? 0.3071 0.9143 0.9043 0.0188 -0.0363 0.2000 154 PRO L CG 5863 C CD . PRO B 158 ? 0.3497 0.9640 0.9680 0.0588 -0.0184 0.2127 154 PRO L CD 5871 N N . VAL B 159 ? 0.3868 0.8999 0.8498 0.0177 -0.0880 0.1888 155 VAL L N 5872 C CA . VAL B 159 ? 0.4865 0.9886 0.9146 0.0039 -0.1234 0.1910 155 VAL L CA 5873 C C . VAL B 159 ? 0.5285 0.9968 0.9036 -0.0299 -0.1326 0.1696 155 VAL L C 5874 O O . VAL B 159 ? 0.4999 0.9212 0.8305 -0.0314 -0.1111 0.1511 155 VAL L O 5875 C CB . VAL B 159 ? 0.5377 0.9943 0.9227 0.0277 -0.1193 0.1929 155 VAL L CB 5876 C CG1 . VAL B 159 ? 0.6084 1.0428 0.9427 0.0119 -0.1504 0.1928 155 VAL L CG1 5877 C CG2 . VAL B 159 ? 0.5213 1.0064 0.9549 0.0632 -0.1138 0.2157 155 VAL L CG2 5887 N N . LYS B 160 ? 0.6008 1.0868 0.9759 -0.0557 -0.1636 0.1708 156 LYS L N 5888 C CA . LYS B 160 ? 0.6668 1.1235 0.9950 -0.0876 -0.1747 0.1523 156 LYS L CA 5889 C C . LYS B 160 ? 0.6607 1.0735 0.9172 -0.0924 -0.1934 0.1456 156 LYS L C 5890 O O . LYS B 160 ? 0.6963 1.0587 0.8951 -0.0977 -0.1795 0.1271 156 LYS L O 5891 C CB . LYS B 160 ? 0.8005 1.2747 1.1489 -0.1123 -0.1909 0.1497 156 LYS L CB 5892 C CG . LYS B 160 ? 0.8936 1.3579 1.2457 -0.1318 -0.1734 0.1360 156 LYS L CG 5893 C CD . LYS B 160 ? 0.9189 1.4071 1.3205 -0.1126 -0.1385 0.1424 156 LYS L CD 5894 C CE . LYS B 160 ? 0.9129 1.3910 1.3177 -0.1325 -0.1225 0.1316 156 LYS L CE 5895 N NZ . LYS B 160 ? 0.8683 1.3660 1.3140 -0.1137 -0.0874 0.1378 156 LYS L NZ 5909 N N . ALA B 161 ? 0.6147 1.0431 0.8722 -0.0880 -0.2211 0.1605 157 ALA L N 5910 C CA . ALA B 161 ? 0.5834 0.9739 0.7709 -0.0948 -0.2421 0.1571 157 ALA L CA 5911 C C . ALA B 161 ? 0.6258 0.9748 0.7715 -0.0733 -0.2202 0.1561 157 ALA L C 5912 O O . ALA B 161 ? 0.6453 0.9972 0.8202 -0.0501 -0.1953 0.1615 157 ALA L O 5913 C CB . ALA B 161 ? 0.5484 0.9565 0.7436 -0.0921 -0.2708 0.1703 157 ALA L CB 5919 N N . GLY B 162 ? 0.6406 0.9459 0.7142 -0.0817 -0.2273 0.1481 158 GLY L N 5920 C CA . GLY B 162 ? 0.6178 0.8828 0.6493 -0.0652 -0.2080 0.1492 158 GLY L CA 5921 C C . GLY B 162 ? 0.5453 0.7851 0.5741 -0.0595 -0.1702 0.1338 158 GLY L C 5922 O O . GLY B 162 ? 0.5261 0.7397 0.5364 -0.0459 -0.1524 0.1368 158 GLY L O 5926 N N . VAL B 163 ? 0.4926 0.7392 0.5387 -0.0715 -0.1596 0.1185 159 VAL L N 5927 C CA . VAL B 163 ? 0.4948 0.7207 0.5396 -0.0665 -0.1272 0.1047 159 VAL L CA 5928 C C . VAL B 163 ? 0.5517 0.7417 0.5429 -0.0803 -0.1188 0.0866 159 VAL L C 5929 O O . VAL B 163 ? 0.6535 0.8374 0.6199 -0.0975 -0.1344 0.0788 159 VAL L O 5930 C CB . VAL B 163 ? 0.5283 0.7822 0.6262 -0.0666 -0.1159 0.1015 159 VAL L CB 5931 C CG1 . VAL B 163 ? 0.5141 0.7432 0.6021 -0.0624 -0.0860 0.0871 159 VAL L CG1 5932 C CG2 . VAL B 163 ? 0.5573 0.8475 0.7107 -0.0479 -0.1175 0.1198 159 VAL L CG2 5942 N N . GLU B 164 ? 0.5248 0.6905 0.4986 -0.0722 -0.0943 0.0803 160 GLU L N 5943 C CA . GLU B 164 ? 0.5569 0.6933 0.4878 -0.0799 -0.0812 0.0652 160 GLU L CA 5944 C C . GLU B 164 ? 0.5416 0.6706 0.4854 -0.0715 -0.0548 0.0589 160 GLU L C 5945 O O . GLU B 164 ? 0.5284 0.6546 0.4810 -0.0612 -0.0461 0.0668 160 GLU L O 5946 C CB . GLU B 164 ? 0.6716 0.7842 0.5498 -0.0802 -0.0848 0.0694 160 GLU L CB 5947 C CG . GLU B 164 ? 0.8558 0.9688 0.7071 -0.0896 -0.1138 0.0746 160 GLU L CG 5948 C CD . GLU B 164 ? 1.0410 1.1422 0.8681 -0.1066 -0.1236 0.0584 160 GLU L CD 5949 O OE1 . GLU B 164 ? 1.0706 1.1558 0.8902 -0.1081 -0.1038 0.0437 160 GLU L OE1 5950 O OE2 . GLU B 164 ? 1.1553 1.2610 0.9694 -0.1189 -0.1526 0.0609 160 GLU L OE2 5957 N N . THR B 165 ? 0.5406 0.6634 0.4830 -0.0768 -0.0440 0.0453 161 THR L N 5958 C CA . THR B 165 ? 0.5262 0.6453 0.4824 -0.0697 -0.0233 0.0398 161 THR L CA 5959 C C . THR B 165 ? 0.5143 0.6139 0.4402 -0.0717 -0.0101 0.0289 161 THR L C 5960 O O . THR B 165 ? 0.5750 0.6618 0.4757 -0.0789 -0.0140 0.0207 161 THR L O 5961 C CB . THR B 165 ? 0.5380 0.6722 0.5303 -0.0692 -0.0200 0.0369 161 THR L CB 5962 O OG1 . THR B 165 ? 0.5523 0.7097 0.5766 -0.0654 -0.0308 0.0483 161 THR L OG1 5963 C CG2 . THR B 165 ? 0.5033 0.6315 0.5051 -0.0606 -0.0020 0.0330 161 THR L CG2 5971 N N . THR B 166 ? 0.4343 0.5311 0.3633 -0.0650 0.0051 0.0293 162 THR L N 5972 C CA . THR B 166 ? 0.4128 0.4991 0.3226 -0.0632 0.0195 0.0221 162 THR L CA 5973 C C . THR B 166 ? 0.4544 0.5410 0.3791 -0.0609 0.0267 0.0135 162 THR L C 5974 O O . THR B 166 ? 0.4346 0.5298 0.3848 -0.0603 0.0244 0.0142 162 THR L O 5975 C CB . THR B 166 ? 0.3814 0.4710 0.2930 -0.0593 0.0310 0.0295 162 THR L CB 5976 O OG1 . THR B 166 ? 0.3876 0.4852 0.3290 -0.0575 0.0315 0.0323 162 THR L OG1 5977 C CG2 . THR B 166 ? 0.3510 0.4358 0.2426 -0.0614 0.0267 0.0402 162 THR L CG2 5985 N N . THR B 167 ? 0.5044 0.5794 0.4103 -0.0577 0.0370 0.0065 163 THR L N 5986 C CA . THR B 167 ? 0.4806 0.5527 0.3964 -0.0532 0.0445 0.0005 163 THR L CA 5987 C C . THR B 167 ? 0.4521 0.5390 0.3890 -0.0466 0.0519 0.0054 163 THR L C 5988 O O . THR B 167 ? 0.4678 0.5625 0.4034 -0.0441 0.0583 0.0105 163 THR L O 5989 C CB . THR B 167 ? 0.5284 0.5788 0.4148 -0.0486 0.0534 -0.0076 163 THR L CB 5990 O OG1 . THR B 167 ? 0.5916 0.6215 0.4517 -0.0583 0.0433 -0.0138 163 THR L OG1 5991 C CG2 . THR B 167 ? 0.5372 0.5820 0.4328 -0.0421 0.0603 -0.0114 163 THR L CG2 5999 N N . PRO B 168 ? 0.4339 0.5245 0.3891 -0.0453 0.0507 0.0044 164 PRO L N 6000 C CA . PRO B 168 ? 0.4196 0.5208 0.3901 -0.0419 0.0531 0.0079 164 PRO L CA 6001 C C . PRO B 168 ? 0.4124 0.5222 0.3822 -0.0357 0.0616 0.0099 164 PRO L C 6002 O O . PRO B 168 ? 0.4513 0.5527 0.4077 -0.0287 0.0687 0.0060 164 PRO L O 6003 C CB . PRO B 168 ? 0.3914 0.4870 0.3673 -0.0393 0.0522 0.0042 164 PRO L CB 6004 C CG . PRO B 168 ? 0.3989 0.4885 0.3744 -0.0439 0.0491 0.0025 164 PRO L CG 6005 C CD . PRO B 168 ? 0.4169 0.5015 0.3773 -0.0481 0.0473 0.0009 164 PRO L CD 6013 N N . SER B 169 ? 0.3735 0.4994 0.3589 -0.0384 0.0614 0.0169 165 SER L N 6014 C CA . SER B 169 ? 0.4006 0.5455 0.3963 -0.0330 0.0703 0.0226 165 SER L CA 6015 C C . SER B 169 ? 0.3262 0.4892 0.3474 -0.0380 0.0626 0.0279 165 SER L C 6016 O O . SER B 169 ? 0.3523 0.5076 0.3762 -0.0477 0.0524 0.0275 165 SER L O 6017 C CB . SER B 169 ? 0.4943 0.6452 0.4829 -0.0353 0.0795 0.0292 165 SER L CB 6018 O OG . SER B 169 ? 0.5018 0.6517 0.4949 -0.0473 0.0722 0.0351 165 SER L OG 6024 N N . LYS B 170 ? 0.3070 0.4926 0.3456 -0.0310 0.0667 0.0330 166 LYS L N 6025 C CA . LYS B 170 ? 0.4184 0.6233 0.4814 -0.0373 0.0547 0.0382 166 LYS L CA 6026 C C . LYS B 170 ? 0.4274 0.6498 0.5111 -0.0536 0.0513 0.0477 166 LYS L C 6027 O O . LYS B 170 ? 0.4795 0.7176 0.5714 -0.0543 0.0642 0.0561 166 LYS L O 6028 C CB . LYS B 170 ? 0.5542 0.7833 0.6347 -0.0233 0.0578 0.0434 166 LYS L CB 6029 C CG . LYS B 170 ? 0.7213 0.9302 0.7843 -0.0125 0.0523 0.0362 166 LYS L CG 6030 C CD . LYS B 170 ? 0.8879 1.1170 0.9655 0.0056 0.0565 0.0432 166 LYS L CD 6031 C CE . LYS B 170 ? 0.9989 1.2695 1.1144 0.0004 0.0432 0.0551 166 LYS L CE 6032 N NZ . LYS B 170 ? 1.0614 1.3541 1.1939 0.0213 0.0445 0.0638 166 LYS L NZ 6046 N N . GLN B 171 ? 0.3803 0.5951 0.4679 -0.0673 0.0345 0.0464 167 GLN L N 6047 C CA . GLN B 171 ? 0.3518 0.5778 0.4589 -0.0868 0.0277 0.0554 167 GLN L CA 6048 C C . GLN B 171 ? 0.3735 0.6430 0.5188 -0.0908 0.0222 0.0662 167 GLN L C 6049 O O . GLN B 171 ? 0.4001 0.6874 0.5534 -0.0756 0.0230 0.0663 167 GLN L O 6050 C CB . GLN B 171 ? 0.3752 0.5664 0.4642 -0.0996 0.0110 0.0476 167 GLN L CB 6051 C CG . GLN B 171 ? 0.4533 0.6073 0.5129 -0.0947 0.0161 0.0400 167 GLN L CG 6052 C CD . GLN B 171 ? 0.5382 0.6547 0.5759 -0.0993 0.0038 0.0305 167 GLN L CD 6053 O OE1 . GLN B 171 ? 0.5291 0.6191 0.5473 -0.0917 0.0082 0.0251 167 GLN L OE1 6054 N NE2 . GLN B 171 ? 0.6092 0.7231 0.6490 -0.1111 -0.0118 0.0289 167 GLN L NE2 6063 N N . SER B 172 ? 0.4011 0.6883 0.5721 -0.1117 0.0160 0.0770 168 SER L N 6064 C CA . SER B 172 ? 0.4374 0.7742 0.6542 -0.1196 0.0080 0.0903 168 SER L CA 6065 C C . SER B 172 ? 0.5352 0.8667 0.7492 -0.1256 -0.0196 0.0837 168 SER L C 6066 O O . SER B 172 ? 0.5503 0.9247 0.8001 -0.1266 -0.0306 0.0935 168 SER L O 6067 C CB . SER B 172 ? 0.4390 0.7958 0.6859 -0.1451 0.0086 0.1053 168 SER L CB 6068 O OG . SER B 172 ? 0.5005 0.8101 0.7201 -0.1650 -0.0041 0.0983 168 SER L OG 6074 N N . ASN B 173 ? 0.5982 0.8778 0.7687 -0.1281 -0.0305 0.0680 169 ASN L N 6075 C CA . ASN B 173 ? 0.5967 0.8607 0.7498 -0.1313 -0.0546 0.0596 169 ASN L CA 6076 C C . ASN B 173 ? 0.5498 0.8009 0.6771 -0.1054 -0.0484 0.0513 169 ASN L C 6077 O O . ASN B 173 ? 0.5911 0.8169 0.6894 -0.1041 -0.0635 0.0426 169 ASN L O 6078 C CB . ASN B 173 ? 0.6086 0.8188 0.7246 -0.1489 -0.0686 0.0477 169 ASN L CB 6079 C CG . ASN B 173 ? 0.5910 0.7549 0.6664 -0.1342 -0.0527 0.0353 169 ASN L CG 6080 O OD1 . ASN B 173 ? 0.5627 0.7344 0.6373 -0.1148 -0.0339 0.0353 169 ASN L OD1 6081 N ND2 . ASN B 173 ? 0.6058 0.7205 0.6473 -0.1433 -0.0606 0.0251 169 ASN L ND2 6088 N N . ASN B 174 ? 0.4759 0.7393 0.6090 -0.0858 -0.0255 0.0540 170 ASN L N 6089 C CA . ASN B 174 ? 0.4756 0.7285 0.5891 -0.0626 -0.0178 0.0488 170 ASN L CA 6090 C C . ASN B 174 ? 0.4183 0.6216 0.4870 -0.0581 -0.0145 0.0344 170 ASN L C 6091 O O . ASN B 174 ? 0.4108 0.6011 0.4613 -0.0426 -0.0088 0.0307 170 ASN L O 6092 C CB . ASN B 174 ? 0.6012 0.8772 0.7272 -0.0560 -0.0345 0.0550 170 ASN L CB 6093 C CG . ASN B 174 ? 0.7566 1.0900 0.9336 -0.0495 -0.0304 0.0718 170 ASN L CG 6094 O OD1 . ASN B 174 ? 0.7391 1.0837 0.9229 -0.0273 -0.0108 0.0758 170 ASN L OD1 6095 N ND2 . ASN B 174 ? 0.9017 1.2710 1.1151 -0.0688 -0.0483 0.0822 170 ASN L ND2 6102 N N . LYS B 175 ? 0.3938 0.5700 0.4468 -0.0710 -0.0166 0.0280 171 LYS L N 6103 C CA . LYS B 175 ? 0.3705 0.5089 0.3912 -0.0642 -0.0079 0.0176 171 LYS L CA 6104 C C . LYS B 175 ? 0.3289 0.4712 0.3559 -0.0593 0.0095 0.0193 171 LYS L C 6105 O O . LYS B 175 ? 0.2965 0.4643 0.3452 -0.0609 0.0157 0.0274 171 LYS L O 6106 C CB . LYS B 175 ? 0.4030 0.5074 0.4015 -0.0758 -0.0173 0.0102 171 LYS L CB 6107 C CG . LYS B 175 ? 0.4248 0.5148 0.4037 -0.0815 -0.0363 0.0057 171 LYS L CG 6108 C CD . LYS B 175 ? 0.5003 0.5427 0.4433 -0.0873 -0.0404 -0.0051 171 LYS L CD 6109 C CE . LYS B 175 ? 0.6119 0.6318 0.5236 -0.0935 -0.0605 -0.0117 171 LYS L CE 6110 N NZ . LYS B 175 ? 0.6741 0.7199 0.6096 -0.1133 -0.0843 -0.0048 171 LYS L NZ 6124 N N . TYR B 176 ? 0.3648 0.4830 0.3724 -0.0536 0.0173 0.0127 172 TYR L N 6125 C CA . TYR B 176 ? 0.3787 0.4993 0.3884 -0.0501 0.0293 0.0140 172 TYR L CA 6126 C C . TYR B 176 ? 0.3778 0.4841 0.3838 -0.0567 0.0288 0.0144 172 TYR L C 6127 O O . TYR B 176 ? 0.3370 0.4219 0.3324 -0.0585 0.0239 0.0103 172 TYR L O 6128 C CB . TYR B 176 ? 0.4170 0.5274 0.4140 -0.0397 0.0371 0.0090 172 TYR L CB 6129 C CG . TYR B 176 ? 0.4832 0.6034 0.4816 -0.0305 0.0415 0.0105 172 TYR L CG 6130 C CD1 . TYR B 176 ? 0.5227 0.6410 0.5164 -0.0248 0.0363 0.0106 172 TYR L CD1 6131 C CD2 . TYR B 176 ? 0.5252 0.6521 0.5247 -0.0257 0.0511 0.0121 172 TYR L CD2 6132 C CE1 . TYR B 176 ? 0.5935 0.7182 0.5884 -0.0132 0.0405 0.0138 172 TYR L CE1 6133 C CE2 . TYR B 176 ? 0.5903 0.7200 0.5881 -0.0137 0.0574 0.0133 172 TYR L CE2 6134 C CZ . TYR B 176 ? 0.6531 0.7827 0.6511 -0.0068 0.0520 0.0149 172 TYR L CZ 6135 O OH . TYR B 176 ? 0.7609 0.8910 0.7572 0.0082 0.0583 0.0179 172 TYR L OH 6145 N N . ALA B 177 ? 0.3747 0.4897 0.3856 -0.0583 0.0346 0.0199 173 ALA L N 6146 C CA . ALA B 177 ? 0.3277 0.4295 0.3339 -0.0616 0.0341 0.0228 173 ALA L CA 6147 C C . ALA B 177 ? 0.3784 0.4832 0.3779 -0.0562 0.0394 0.0232 173 ALA L C 6148 O O . ALA B 177 ? 0.4279 0.5423 0.4241 -0.0527 0.0451 0.0219 173 ALA L O 6149 C CB . ALA B 177 ? 0.2899 0.3957 0.3039 -0.0730 0.0324 0.0320 173 ALA L CB 6155 N N . ALA B 178 ? 0.3778 0.4721 0.3737 -0.0550 0.0364 0.0252 174 ALA L N 6156 C CA . ALA B 178 ? 0.3778 0.4757 0.3671 -0.0532 0.0360 0.0271 174 ALA L CA 6157 C C . ALA B 178 ? 0.4067 0.4968 0.3955 -0.0531 0.0303 0.0353 174 ALA L C 6158 O O . ALA B 178 ? 0.4094 0.4866 0.4023 -0.0523 0.0288 0.0376 174 ALA L O 6159 C CB . ALA B 178 ? 0.3325 0.4318 0.3238 -0.0491 0.0359 0.0204 174 ALA L CB 6165 N N . SER B 179 ? 0.4162 0.5101 0.3962 -0.0533 0.0260 0.0397 175 SER L N 6166 C CA . SER B 179 ? 0.4323 0.5200 0.4102 -0.0513 0.0187 0.0504 175 SER L CA 6167 C C . SER B 179 ? 0.4089 0.5068 0.3885 -0.0487 0.0084 0.0522 175 SER L C 6168 O O . SER B 179 ? 0.4388 0.5429 0.4089 -0.0534 0.0062 0.0463 175 SER L O 6169 C CB . SER B 179 ? 0.4926 0.5742 0.4529 -0.0571 0.0213 0.0597 175 SER L CB 6170 O OG . SER B 179 ? 0.5336 0.6216 0.4746 -0.0599 0.0246 0.0571 175 SER L OG 6176 N N . SER B 180 ? 0.3814 0.4799 0.3738 -0.0414 0.0012 0.0610 176 SER L N 6177 C CA . SER B 180 ? 0.3991 0.5145 0.4009 -0.0395 -0.0123 0.0665 176 SER L CA 6178 C C . SER B 180 ? 0.4526 0.5628 0.4493 -0.0332 -0.0226 0.0822 176 SER L C 6179 O O . SER B 180 ? 0.4956 0.5885 0.4937 -0.0256 -0.0173 0.0885 176 SER L O 6180 C CB . SER B 180 ? 0.3906 0.5223 0.4253 -0.0327 -0.0100 0.0642 176 SER L CB 6181 O OG . SER B 180 ? 0.3969 0.5534 0.4494 -0.0342 -0.0244 0.0707 176 SER L OG 6187 N N . TYR B 181 ? 0.4451 0.5661 0.4318 -0.0370 -0.0389 0.0886 177 TYR L N 6188 C CA . TYR B 181 ? 0.4528 0.5690 0.4299 -0.0305 -0.0517 0.1057 177 TYR L CA 6189 C C . TYR B 181 ? 0.4581 0.6031 0.4615 -0.0254 -0.0718 0.1150 177 TYR L C 6190 O O . TYR B 181 ? 0.4565 0.6223 0.4692 -0.0355 -0.0811 0.1081 177 TYR L O 6191 C CB . TYR B 181 ? 0.4841 0.5840 0.4148 -0.0401 -0.0550 0.1083 177 TYR L CB 6192 C CG . TYR B 181 ? 0.5328 0.6148 0.4446 -0.0464 -0.0344 0.1007 177 TYR L CG 6193 C CD1 . TYR B 181 ? 0.5637 0.6259 0.4675 -0.0448 -0.0246 0.1105 177 TYR L CD1 6194 C CD2 . TYR B 181 ? 0.5481 0.6336 0.4529 -0.0541 -0.0250 0.0852 177 TYR L CD2 6195 C CE1 . TYR B 181 ? 0.5836 0.6377 0.4788 -0.0526 -0.0071 0.1060 177 TYR L CE1 6196 C CE2 . TYR B 181 ? 0.5841 0.6609 0.4792 -0.0577 -0.0067 0.0808 177 TYR L CE2 6197 C CZ . TYR B 181 ? 0.6323 0.6971 0.5255 -0.0579 0.0017 0.0916 177 TYR L CZ 6198 O OH . TYR B 181 ? 0.7119 0.7760 0.6038 -0.0636 0.0186 0.0896 177 TYR L OH 6208 N N . LEU B 182 ? 0.4849 0.6310 0.5021 -0.0100 -0.0789 0.1320 178 LEU L N 6209 C CA . LEU B 182 ? 0.4866 0.6658 0.5324 -0.0031 -0.1010 0.1459 178 LEU L CA 6210 C C . LEU B 182 ? 0.5259 0.6925 0.5453 0.0033 -0.1181 0.1649 178 LEU L C 6211 O O . LEU B 182 ? 0.5951 0.7341 0.6045 0.0164 -0.1090 0.1748 178 LEU L O 6212 C CB . LEU B 182 ? 0.4587 0.6585 0.5572 0.0165 -0.0920 0.1516 178 LEU L CB 6213 C CG . LEU B 182 ? 0.4669 0.7113 0.6083 0.0265 -0.1135 0.1698 178 LEU L CG 6214 C CD1 . LEU B 182 ? 0.3974 0.6781 0.5533 0.0048 -0.1312 0.1640 178 LEU L CD1 6215 C CD2 . LEU B 182 ? 0.5161 0.7774 0.7075 0.0519 -0.0978 0.1773 178 LEU L CD2 6227 N N . SER B 183 ? 0.5339 0.7162 0.5372 -0.0071 -0.1439 0.1702 179 SER L N 6228 C CA . SER B 183 ? 0.6286 0.7995 0.6007 -0.0015 -0.1638 0.1898 179 SER L CA 6229 C C . SER B 183 ? 0.6707 0.8774 0.6893 0.0166 -0.1852 0.2111 179 SER L C 6230 O O . SER B 183 ? 0.6778 0.9293 0.7435 0.0138 -0.1973 0.2105 179 SER L O 6231 C CB . SER B 183 ? 0.7004 0.8639 0.6199 -0.0217 -0.1826 0.1843 179 SER L CB 6232 O OG . SER B 183 ? 0.7251 0.8540 0.5989 -0.0329 -0.1600 0.1687 179 SER L OG 6238 N N . LEU B 184 ? 0.6983 0.8856 0.7056 0.0354 -0.1888 0.2317 180 LEU L N 6239 C CA . LEU B 184 ? 0.7041 0.9231 0.7540 0.0579 -0.2088 0.2558 180 LEU L CA 6240 C C . LEU B 184 ? 0.7475 0.9418 0.7523 0.0654 -0.2288 0.2785 180 LEU L C 6241 O O . LEU B 184 ? 0.7883 0.9348 0.7335 0.0573 -0.2180 0.2763 180 LEU L O 6242 C CB . LEU B 184 ? 0.6896 0.9035 0.7829 0.0849 -0.1838 0.2599 180 LEU L CB 6243 C CG . LEU B 184 ? 0.6589 0.8878 0.7901 0.0821 -0.1586 0.2393 180 LEU L CG 6244 C CD1 . LEU B 184 ? 0.6658 0.8623 0.8081 0.1069 -0.1305 0.2400 180 LEU L CD1 6245 C CD2 . LEU B 184 ? 0.6442 0.9393 0.8378 0.0818 -0.1728 0.2432 180 LEU L CD2 6257 N N . THR B 185 ? 0.7491 0.9717 0.7813 0.0804 -0.2523 0.2943 181 THR L N 6258 C CA . THR B 185 ? 0.8379 1.0292 0.8321 0.0947 -0.2637 0.3118 181 THR L CA 6259 C C . THR B 185 ? 0.9008 1.0680 0.9180 0.1258 -0.2440 0.3272 181 THR L C 6260 O O . THR B 185 ? 0.8942 1.0862 0.9699 0.1414 -0.2302 0.3257 181 THR L O 6261 C CB . THR B 185 ? 0.8468 1.0746 0.8573 0.0982 -0.2968 0.3188 181 THR L CB 6262 O OG1 . THR B 185 ? 0.8620 1.1409 0.9532 0.1152 -0.2974 0.3236 181 THR L OG1 6263 C CG2 . THR B 185 ? 0.8028 1.0444 0.7839 0.0668 -0.3167 0.3016 181 THR L CG2 6271 N N . PRO B 186 ? 0.9780 1.0911 0.9452 0.1350 -0.2402 0.3408 182 PRO L N 6272 C CA . PRO B 186 ? 0.9969 1.0727 0.9758 0.1631 -0.2211 0.3537 182 PRO L CA 6273 C C . PRO B 186 ? 0.9963 1.1091 1.0406 0.1935 -0.2264 0.3615 182 PRO L C 6274 O O . PRO B 186 ? 1.0095 1.0978 1.0751 0.2178 -0.2050 0.3651 182 PRO L O 6275 C CB . PRO B 186 ? 1.1136 1.1348 1.0277 0.1656 -0.2272 0.3691 182 PRO L CB 6276 C CG . PRO B 186 ? 1.1464 1.1634 1.0060 0.1344 -0.2334 0.3595 182 PRO L CG 6277 C CD . PRO B 186 ? 1.0776 1.1566 0.9709 0.1198 -0.2510 0.3439 182 PRO L CD 6285 N N . GLU B 187 ? 1.0231 1.1920 1.0973 0.1914 -0.2532 0.3629 183 GLU L N 6286 C CA . GLU B 187 ? 1.0991 1.3116 1.2394 0.2183 -0.2587 0.3718 183 GLU L CA 6287 C C . GLU B 187 ? 0.9854 1.2423 1.1898 0.2181 -0.2389 0.3582 183 GLU L C 6288 O O . GLU B 187 ? 0.9737 1.2327 1.2190 0.2460 -0.2183 0.3615 183 GLU L O 6289 C CB . GLU B 187 ? 1.2718 1.5290 1.4207 0.2133 -0.2962 0.3796 183 GLU L CB 6290 C CG . GLU B 187 ? 1.4750 1.6909 1.5646 0.2219 -0.3161 0.3963 183 GLU L CG 6291 C CD . GLU B 187 ? 1.5881 1.7489 1.5950 0.1982 -0.3117 0.3902 183 GLU L CD 6292 O OE1 . GLU B 187 ? 1.5676 1.7344 1.5640 0.1706 -0.3026 0.3718 183 GLU L OE1 6293 O OE2 . GLU B 187 ? 1.6897 1.8003 1.6416 0.2076 -0.3156 0.4044 183 GLU L OE2 6300 N N . GLN B 188 ? 0.9195 1.2069 1.1275 0.1870 -0.2437 0.3421 184 GLN L N 6301 C CA . GLN B 188 ? 0.8557 1.1819 1.1178 0.1828 -0.2245 0.3286 184 GLN L CA 6302 C C . GLN B 188 ? 0.8119 1.0959 1.0701 0.2000 -0.1878 0.3238 184 GLN L C 6303 O O . GLN B 188 ? 0.8223 1.1246 1.1277 0.2188 -0.1652 0.3203 184 GLN L O 6304 C CB . GLN B 188 ? 0.8453 1.1921 1.0941 0.1441 -0.2346 0.3110 184 GLN L CB 6305 C CG . GLN B 188 ? 0.8924 1.2769 1.1437 0.1237 -0.2698 0.3110 184 GLN L CG 6306 C CD . GLN B 188 ? 0.8838 1.2685 1.1037 0.0854 -0.2786 0.2911 184 GLN L CD 6307 O OE1 . GLN B 188 ? 0.8234 1.1805 1.0160 0.0744 -0.2599 0.2789 184 GLN L OE1 6308 N NE2 . GLN B 188 ? 0.9399 1.3531 1.1616 0.0652 -0.3074 0.2875 184 GLN L NE2 6317 N N . TRP B 189 ? 0.7764 1.0005 0.9743 0.1926 -0.1808 0.3230 185 TRP L N 6318 C CA . TRP B 189 ? 0.7613 0.9327 0.9438 0.2039 -0.1477 0.3156 185 TRP L CA 6319 C C . TRP B 189 ? 0.8352 0.9854 1.0411 0.2435 -0.1313 0.3257 185 TRP L C 6320 O O . TRP B 189 ? 0.8440 0.9803 1.0680 0.2589 -0.1029 0.3156 185 TRP L O 6321 C CB . TRP B 189 ? 0.7722 0.8766 0.8807 0.1839 -0.1435 0.3097 185 TRP L CB 6322 C CG . TRP B 189 ? 0.7992 0.8365 0.8831 0.1916 -0.1129 0.2995 185 TRP L CG 6323 C CD1 . TRP B 189 ? 0.8256 0.7973 0.8678 0.2004 -0.1078 0.3120 185 TRP L CD1 6324 C CD2 . TRP B 189 ? 0.8112 0.8364 0.9067 0.1892 -0.0853 0.2750 185 TRP L CD2 6325 N NE1 . TRP B 189 ? 0.8319 0.7509 0.8601 0.2014 -0.0804 0.2956 185 TRP L NE1 6326 C CE2 . TRP B 189 ? 0.8333 0.7842 0.8918 0.1953 -0.0669 0.2725 185 TRP L CE2 6327 C CE3 . TRP B 189 ? 0.8121 0.8789 0.9423 0.1812 -0.0752 0.2558 185 TRP L CE3 6328 C CZ2 . TRP B 189 ? 0.8794 0.7972 0.9322 0.1936 -0.0416 0.2502 185 TRP L CZ2 6329 C CZ3 . TRP B 189 ? 0.8348 0.8693 0.9585 0.1818 -0.0479 0.2351 185 TRP L CZ3 6330 C CH2 . TRP B 189 ? 0.8718 0.8326 0.9559 0.1879 -0.0326 0.2318 185 TRP L CH2 6341 N N . LYS B 190 ? 0.9145 1.0576 1.1144 0.2594 -0.1485 0.3424 186 LYS L N 6342 C CA . LYS B 190 ? 1.0165 1.1338 1.2323 0.2967 -0.1345 0.3508 186 LYS L CA 6343 C C . LYS B 190 ? 1.0152 1.2020 1.3007 0.3158 -0.1392 0.3559 186 LYS L C 6344 O O . LYS B 190 ? 1.0237 1.1987 1.3275 0.3485 -0.1299 0.3647 186 LYS L O 6345 C CB . LYS B 190 ? 1.1653 1.2285 1.3336 0.3061 -0.1487 0.3681 186 LYS L CB 6346 C CG . LYS B 190 ? 1.2992 1.2755 1.4046 0.2982 -0.1311 0.3647 186 LYS L CG 6347 C CD . LYS B 190 ? 1.4734 1.3934 1.5367 0.3099 -0.1421 0.3831 186 LYS L CD 6348 C CE . LYS B 190 ? 1.5662 1.3956 1.5744 0.3022 -0.1210 0.3792 186 LYS L CE 6349 N NZ . LYS B 190 ? 1.5483 1.3670 1.5211 0.2652 -0.1162 0.3699 186 LYS L NZ 6363 N N . SER B 191 ? 1.0214 1.2783 1.3451 0.2943 -0.1528 0.3505 187 SER L N 6364 C CA . SER B 191 ? 1.0487 1.3759 1.4415 0.3064 -0.1573 0.3563 187 SER L CA 6365 C C . SER B 191 ? 0.9929 1.3395 1.4270 0.3154 -0.1223 0.3431 187 SER L C 6366 O O . SER B 191 ? 1.0260 1.4019 1.5073 0.3407 -0.1094 0.3495 187 SER L O 6367 C CB . SER B 191 ? 1.0606 1.4496 1.4717 0.2759 -0.1924 0.3578 187 SER L CB 6368 O OG . SER B 191 ? 1.0156 1.4215 1.4243 0.2427 -0.1888 0.3400 187 SER L OG 6374 N N . HIS B 192 ? 0.9124 1.2409 1.3257 0.2957 -0.1059 0.3254 188 HIS L N 6375 C CA . HIS B 192 ? 0.8881 1.2289 1.3301 0.3017 -0.0722 0.3113 188 HIS L CA 6376 C C . HIS B 192 ? 0.8878 1.1521 1.2908 0.3265 -0.0397 0.3029 188 HIS L C 6377 O O . HIS B 192 ? 0.9416 1.1422 1.2916 0.3275 -0.0441 0.3047 188 HIS L O 6378 C CB . HIS B 192 ? 0.8768 1.2416 1.3184 0.2661 -0.0736 0.2959 188 HIS L CB 6379 C CG . HIS B 192 ? 0.9217 1.3516 1.3942 0.2373 -0.1046 0.2997 188 HIS L CG 6380 N ND1 . HIS B 192 ? 0.9556 1.3836 1.3965 0.2148 -0.1397 0.3044 188 HIS L ND1 6381 C CD2 . HIS B 192 ? 0.9418 1.4339 1.4679 0.2256 -0.1054 0.2985 188 HIS L CD2 6382 C CE1 . HIS B 192 ? 0.9660 1.4493 1.4377 0.1907 -0.1620 0.3039 188 HIS L CE1 6383 N NE2 . HIS B 192 ? 0.9562 1.4799 1.4822 0.1959 -0.1422 0.3013 188 HIS L NE2 6391 N N . LYS B 193 ? 0.8216 1.0873 1.2454 0.3442 -0.0068 0.2931 189 LYS L N 6392 C CA . LYS B 193 ? 0.7950 0.9824 1.1758 0.3671 0.0243 0.2815 189 LYS L CA 6393 C C . LYS B 193 ? 0.7555 0.8936 1.0883 0.3469 0.0355 0.2621 189 LYS L C 6394 O O . LYS B 193 ? 0.8007 0.8584 1.0808 0.3561 0.0506 0.2525 189 LYS L O 6395 C CB . LYS B 193 ? 0.8012 1.0033 1.2124 0.3932 0.0561 0.2769 189 LYS L CB 6396 C CG . LYS B 193 ? 0.8734 1.0944 1.3173 0.4247 0.0532 0.2958 189 LYS L CG 6397 C CD . LYS B 193 ? 0.9329 1.1493 1.3914 0.4541 0.0905 0.2903 189 LYS L CD 6398 C CE . LYS B 193 ? 0.9934 1.2230 1.4823 0.4894 0.0893 0.3099 189 LYS L CE 6399 N NZ . LYS B 193 ? 1.0365 1.2562 1.5341 0.5206 0.1282 0.3053 189 LYS L NZ 6413 N N . SER B 194 ? 0.6954 0.8791 1.0451 0.3180 0.0270 0.2560 190 SER L N 6414 C CA . SER B 194 ? 0.7009 0.8425 1.0042 0.2930 0.0353 0.2343 190 SER L CA 6415 C C . SER B 194 ? 0.6132 0.8073 0.9299 0.2526 0.0179 0.2254 190 SER L C 6416 O O . SER B 194 ? 0.5629 0.8305 0.9357 0.2501 0.0058 0.2380 190 SER L O 6417 C CB . SER B 194 ? 0.7633 0.8677 1.0509 0.3084 0.0722 0.2154 190 SER L CB 6418 O OG . SER B 194 ? 0.7480 0.9170 1.0877 0.3125 0.0861 0.2155 190 SER L OG 6424 N N . TYR B 195 ? 0.5957 0.7503 0.8610 0.2209 0.0165 0.2043 191 TYR L N 6425 C CA . TYR B 195 ? 0.5647 0.7541 0.8322 0.1848 0.0056 0.1919 191 TYR L CA 6426 C C . TYR B 195 ? 0.6142 0.7685 0.8498 0.1718 0.0278 0.1664 191 TYR L C 6427 O O . TYR B 195 ? 0.6320 0.7247 0.8268 0.1791 0.0416 0.1564 191 TYR L O 6428 C CB . TYR B 195 ? 0.5629 0.7436 0.7977 0.1587 -0.0217 0.1941 191 TYR L CB 6429 C CG . TYR B 195 ? 0.6523 0.8783 0.9164 0.1633 -0.0502 0.2178 191 TYR L CG 6430 C CD1 . TYR B 195 ? 0.7765 0.9890 1.0441 0.1911 -0.0572 0.2396 191 TYR L CD1 6431 C CD2 . TYR B 195 ? 0.6661 0.9446 0.9509 0.1394 -0.0720 0.2186 191 TYR L CD2 6432 C CE1 . TYR B 195 ? 0.8386 1.0942 1.1318 0.1957 -0.0868 0.2629 191 TYR L CE1 6433 C CE2 . TYR B 195 ? 0.7276 1.0466 1.0355 0.1411 -0.1026 0.2398 191 TYR L CE2 6434 C CZ . TYR B 195 ? 0.8225 1.1326 1.1355 0.1695 -0.1107 0.2625 191 TYR L CZ 6435 O OH . TYR B 195 ? 0.8849 1.2359 1.2187 0.1710 -0.1442 0.2843 191 TYR L OH 6445 N N . SER B 196 ? 0.6161 0.8069 0.8679 0.1515 0.0291 0.1564 192 SER L N 6446 C CA . SER B 196 ? 0.5988 0.7624 0.8241 0.1418 0.0493 0.1349 192 SER L CA 6447 C C . SER B 196 ? 0.4796 0.6563 0.6913 0.1074 0.0380 0.1224 192 SER L C 6448 O O . SER B 196 ? 0.4120 0.6333 0.6497 0.0928 0.0213 0.1291 192 SER L O 6449 C CB . SER B 196 ? 0.6605 0.8485 0.9198 0.1622 0.0747 0.1361 192 SER L CB 6450 O OG . SER B 196 ? 0.7538 0.9228 1.0206 0.1987 0.0901 0.1460 192 SER L OG 6456 N N . CYS B 197 ? 0.4706 0.6059 0.6402 0.0950 0.0462 0.1045 193 CYS L N 6457 C CA . CYS B 197 ? 0.4633 0.6056 0.6181 0.0675 0.0402 0.0921 193 CYS L CA 6458 C C . CYS B 197 ? 0.4348 0.5726 0.5861 0.0680 0.0601 0.0795 193 CYS L C 6459 O O . CYS B 197 ? 0.4594 0.5569 0.5824 0.0770 0.0739 0.0701 193 CYS L O 6460 C CB . CYS B 197 ? 0.4842 0.5885 0.5965 0.0524 0.0319 0.0846 193 CYS L CB 6461 S SG . CYS B 197 ? 0.8452 0.9541 0.9378 0.0246 0.0280 0.0701 193 CYS L SG 6466 N N . GLN B 198 ? 0.3883 0.5638 0.5646 0.0573 0.0606 0.0800 194 GLN L N 6467 C CA . GLN B 198 ? 0.4099 0.5831 0.5829 0.0573 0.0802 0.0712 194 GLN L CA 6468 C C . GLN B 198 ? 0.3889 0.5558 0.5392 0.0335 0.0740 0.0595 194 GLN L C 6469 O O . GLN B 198 ? 0.4207 0.6128 0.5851 0.0166 0.0607 0.0621 194 GLN L O 6470 C CB . GLN B 198 ? 0.4899 0.7105 0.7130 0.0652 0.0907 0.0837 194 GLN L CB 6471 C CG . GLN B 198 ? 0.6628 0.8942 0.9141 0.0948 0.1022 0.0969 194 GLN L CG 6472 C CD . GLN B 198 ? 0.8251 1.1147 1.1363 0.1015 0.1132 0.1124 194 GLN L CD 6473 O OE1 . GLN B 198 ? 0.8387 1.1620 1.1728 0.0790 0.1062 0.1146 194 GLN L OE1 6474 N NE2 . GLN B 198 ? 0.9415 1.2423 1.2795 0.1324 0.1316 0.1240 194 GLN L NE2 6483 N N . VAL B 199 ? 0.3666 0.4976 0.4801 0.0329 0.0828 0.0468 195 VAL L N 6484 C CA . VAL B 199 ? 0.3540 0.4769 0.4456 0.0149 0.0779 0.0369 195 VAL L CA 6485 C C . VAL B 199 ? 0.3762 0.4948 0.4605 0.0170 0.0949 0.0324 195 VAL L C 6486 O O . VAL B 199 ? 0.4286 0.5254 0.4963 0.0314 0.1098 0.0290 195 VAL L O 6487 C CB . VAL B 199 ? 0.3594 0.4486 0.4160 0.0101 0.0706 0.0282 195 VAL L CB 6488 C CG1 . VAL B 199 ? 0.3655 0.4528 0.4058 -0.0047 0.0659 0.0206 195 VAL L CG1 6489 C CG2 . VAL B 199 ? 0.3773 0.4660 0.4369 0.0085 0.0572 0.0348 195 VAL L CG2 6499 N N . THR B 200 ? 0.3415 0.4753 0.4324 0.0030 0.0930 0.0323 196 THR L N 6500 C CA . THR B 200 ? 0.3732 0.5008 0.4545 0.0032 0.1089 0.0303 196 THR L CA 6501 C C . THR B 200 ? 0.3774 0.4816 0.4250 -0.0065 0.1028 0.0209 196 THR L C 6502 O O . THR B 200 ? 0.3607 0.4700 0.4091 -0.0192 0.0903 0.0194 196 THR L O 6503 C CB . THR B 200 ? 0.3755 0.5370 0.4934 -0.0056 0.1141 0.0404 196 THR L CB 6504 O OG1 . THR B 200 ? 0.3674 0.5591 0.5248 0.0056 0.1204 0.0520 196 THR L OG1 6505 C CG2 . THR B 200 ? 0.3917 0.5428 0.4961 -0.0063 0.1326 0.0405 196 THR L CG2 6513 N N . HIS B 201 ? 0.3918 0.4691 0.4076 0.0012 0.1116 0.0150 197 HIS L N 6514 C CA . HIS B 201 ? 0.3480 0.4058 0.3337 -0.0047 0.1044 0.0081 197 HIS L CA 6515 C C . HIS B 201 ? 0.3432 0.3853 0.3059 0.0002 0.1189 0.0085 197 HIS L C 6516 O O . HIS B 201 ? 0.3600 0.3847 0.3028 0.0120 0.1310 0.0067 197 HIS L O 6517 C CB . HIS B 201 ? 0.3661 0.4038 0.3299 -0.0027 0.0931 0.0009 197 HIS L CB 6518 C CG . HIS B 201 ? 0.3821 0.4082 0.3231 -0.0081 0.0832 -0.0038 197 HIS L CG 6519 N ND1 . HIS B 201 ? 0.4135 0.4147 0.3209 -0.0037 0.0828 -0.0088 197 HIS L ND1 6520 C CD2 . HIS B 201 ? 0.3696 0.4065 0.3167 -0.0158 0.0730 -0.0033 197 HIS L CD2 6521 C CE1 . HIS B 201 ? 0.4403 0.4427 0.3397 -0.0091 0.0706 -0.0096 197 HIS L CE1 6522 N NE2 . HIS B 201 ? 0.4248 0.4491 0.3493 -0.0150 0.0666 -0.0061 197 HIS L NE2 6530 N N . GLU B 202 ? 0.3799 0.4228 0.3400 -0.0079 0.1187 0.0110 198 GLU L N 6531 C CA . GLU B 202 ? 0.4597 0.4858 0.3957 -0.0043 0.1326 0.0142 198 GLU L CA 6532 C C . GLU B 202 ? 0.4689 0.5032 0.4167 0.0027 0.1556 0.0214 198 GLU L C 6533 O O . GLU B 202 ? 0.5541 0.5676 0.4709 0.0127 0.1707 0.0219 198 GLU L O 6534 C CB . GLU B 202 ? 0.6128 0.6096 0.5046 0.0033 0.1266 0.0074 198 GLU L CB 6535 C CG . GLU B 202 ? 0.7711 0.7678 0.6592 -0.0018 0.1047 0.0024 198 GLU L CG 6536 C CD . GLU B 202 ? 0.8851 0.8855 0.7781 -0.0072 0.1012 0.0066 198 GLU L CD 6537 O OE1 . GLU B 202 ? 0.8607 0.8445 0.7310 -0.0040 0.1075 0.0109 198 GLU L OE1 6538 O OE2 . GLU B 202 ? 0.9752 0.9906 0.8901 -0.0136 0.0930 0.0057 198 GLU L OE2 6545 N N . GLY B 203 ? 0.4540 0.5202 0.4463 -0.0016 0.1582 0.0280 199 GLY L N 6546 C CA . GLY B 203 ? 0.4449 0.5307 0.4620 0.0051 0.1812 0.0384 199 GLY L CA 6547 C C . GLY B 203 ? 0.4454 0.5291 0.4616 0.0249 0.1913 0.0365 199 GLY L C 6548 O O . GLY B 203 ? 0.4610 0.5654 0.5039 0.0339 0.2078 0.0452 199 GLY L O 6552 N N . SER B 204 ? 0.4537 0.5103 0.4396 0.0310 0.1776 0.0247 200 SER L N 6553 C CA . SER B 204 ? 0.5512 0.5917 0.5255 0.0498 0.1861 0.0208 200 SER L CA 6554 C C . SER B 204 ? 0.5552 0.6090 0.5563 0.0488 0.1685 0.0206 200 SER L C 6555 O O . SER B 204 ? 0.5509 0.6035 0.5498 0.0351 0.1462 0.0160 200 SER L O 6556 C CB . SER B 204 ? 0.6311 0.6208 0.5423 0.0561 0.1841 0.0076 200 SER L CB 6557 O OG . SER B 204 ? 0.6977 0.6709 0.5770 0.0609 0.2025 0.0091 200 SER L OG 6563 N N . THR B 205 ? 0.5617 0.6273 0.5868 0.0655 0.1805 0.0270 201 THR L N 6564 C CA . THR B 205 ? 0.5868 0.6688 0.6415 0.0663 0.1651 0.0313 201 THR L CA 6565 C C . THR B 205 ? 0.5939 0.6338 0.6167 0.0801 0.1628 0.0231 201 THR L C 6566 O O . THR B 205 ? 0.6541 0.6603 0.6457 0.0980 0.1810 0.0176 201 THR L O 6567 C CB . THR B 205 ? 0.6694 0.8000 0.7824 0.0754 0.1754 0.0479 201 THR L CB 6568 O OG1 . THR B 205 ? 0.6949 0.8631 0.8393 0.0569 0.1736 0.0558 201 THR L OG1 6569 C CG2 . THR B 205 ? 0.6862 0.8320 0.8256 0.0778 0.1569 0.0541 201 THR L CG2 6577 N N . VAL B 206 ? 0.5608 0.5986 0.5878 0.0708 0.1409 0.0225 202 VAL L N 6578 C CA . VAL B 206 ? 0.5998 0.5974 0.6013 0.0797 0.1359 0.0173 202 VAL L CA 6579 C C . VAL B 206 ? 0.6522 0.6736 0.6901 0.0832 0.1253 0.0298 202 VAL L C 6580 O O . VAL B 206 ? 0.6472 0.7026 0.7106 0.0676 0.1097 0.0361 202 VAL L O 6581 C CB . VAL B 206 ? 0.5628 0.5284 0.5268 0.0610 0.1177 0.0055 202 VAL L CB 6582 C CG1 . VAL B 206 ? 0.6343 0.5553 0.5728 0.0656 0.1115 0.0012 202 VAL L CG1 6583 C CG2 . VAL B 206 ? 0.5109 0.4558 0.4384 0.0571 0.1234 -0.0051 202 VAL L CG2 6593 N N . GLU B 207 ? 0.6926 0.6915 0.7278 0.1049 0.1335 0.0335 203 GLU L N 6594 C CA . GLU B 207 ? 0.6997 0.7229 0.7711 0.1136 0.1250 0.0488 203 GLU L CA 6595 C C . GLU B 207 ? 0.7062 0.6794 0.7500 0.1233 0.1200 0.0479 203 GLU L C 6596 O O . GLU B 207 ? 0.7308 0.6513 0.7360 0.1361 0.1326 0.0378 203 GLU L O 6597 C CB . GLU B 207 ? 0.8069 0.8699 0.9235 0.1371 0.1432 0.0627 203 GLU L CB 6598 C CG . GLU B 207 ? 0.9789 1.0745 1.1387 0.1485 0.1320 0.0815 203 GLU L CG 6599 C CD . GLU B 207 ? 1.1841 1.3189 1.3922 0.1767 0.1523 0.0969 203 GLU L CD 6600 O OE1 . GLU B 207 ? 1.2601 1.3720 1.4525 0.1976 0.1807 0.0915 203 GLU L OE1 6601 O OE2 . GLU B 207 ? 1.2624 1.4519 1.5239 0.1782 0.1400 0.1151 203 GLU L OE2 6608 N N . LYS B 208 ? 0.6962 0.6816 0.7551 0.1163 0.1013 0.0587 204 LYS L N 6609 C CA . LYS B 208 ? 0.7273 0.6681 0.7659 0.1263 0.0967 0.0630 204 LYS L CA 6610 C C . LYS B 208 ? 0.7071 0.6798 0.7854 0.1443 0.0912 0.0841 204 LYS L C 6611 O O . LYS B 208 ? 0.6700 0.7020 0.7899 0.1401 0.0835 0.0945 204 LYS L O 6612 C CB . LYS B 208 ? 0.7494 0.6650 0.7594 0.0988 0.0783 0.0579 204 LYS L CB 6613 C CG . LYS B 208 ? 0.8518 0.7199 0.8177 0.0855 0.0807 0.0395 204 LYS L CG 6614 C CD . LYS B 208 ? 1.0169 0.8221 0.9486 0.1061 0.0942 0.0327 204 LYS L CD 6615 C CE . LYS B 208 ? 1.1470 0.9011 1.0297 0.0890 0.0911 0.0138 204 LYS L CE 6616 N NZ . LYS B 208 ? 1.2214 0.9565 1.0912 0.0608 0.0713 0.0145 204 LYS L NZ 6630 N N . THR B 209 ? 0.7319 0.6622 0.7952 0.1638 0.0934 0.0909 205 THR L N 6631 C CA . THR B 209 ? 0.7179 0.6737 0.8168 0.1864 0.0881 0.1132 205 THR L CA 6632 C C . THR B 209 ? 0.7759 0.6809 0.8455 0.1880 0.0767 0.1212 205 THR L C 6633 O O . THR B 209 ? 0.8240 0.6624 0.8468 0.1823 0.0812 0.1093 205 THR L O 6634 C CB . THR B 209 ? 0.7194 0.6814 0.8429 0.2254 0.1127 0.1194 205 THR L CB 6635 O OG1 . THR B 209 ? 0.7312 0.7410 0.8827 0.2225 0.1260 0.1143 205 THR L OG1 6636 C CG2 . THR B 209 ? 0.6685 0.6660 0.8372 0.2508 0.1050 0.1456 205 THR L CG2 6644 N N . VAL B 210 ? 0.7804 0.7157 0.8760 0.1939 0.0602 0.1424 206 VAL L N 6645 C CA . VAL B 210 ? 0.8222 0.7115 0.8922 0.1989 0.0499 0.1553 206 VAL L CA 6646 C C . VAL B 210 ? 0.8224 0.7413 0.9303 0.2309 0.0439 0.1812 206 VAL L C 6647 O O . VAL B 210 ? 0.7910 0.7814 0.9472 0.2334 0.0347 0.1917 206 VAL L O 6648 C CB . VAL B 210 ? 0.8032 0.6943 0.8521 0.1639 0.0295 0.1566 206 VAL L CB 6649 C CG1 . VAL B 210 ? 0.8401 0.6997 0.8544 0.1349 0.0348 0.1345 206 VAL L CG1 6650 C CG2 . VAL B 210 ? 0.7049 0.6693 0.7883 0.1519 0.0126 0.1645 206 VAL L CG2 6660 N N . ALA B 211 ? 0.8519 0.7149 0.9385 0.2546 0.0475 0.1924 207 ALA L N 6661 C CA . ALA B 211 ? 0.8159 0.7023 0.9373 0.2897 0.0415 0.2195 207 ALA L CA 6662 C C . ALA B 211 ? 0.8668 0.7121 0.9573 0.2873 0.0232 0.2377 207 ALA L C 6663 O O . ALA B 211 ? 0.9149 0.6887 0.9530 0.2713 0.0264 0.2290 207 ALA L O 6664 C CB . ALA B 211 ? 0.8020 0.6595 0.9318 0.3336 0.0689 0.2201 207 ALA L CB 6670 N N . PRO B 212 ? 0.8701 0.7613 0.9927 0.3014 0.0028 0.2643 208 PRO L N 6671 C CA . PRO B 212 ? 0.9313 0.7826 1.0233 0.3049 -0.0140 0.2862 208 PRO L CA 6672 C C . PRO B 212 ? 1.0984 0.8699 1.1600 0.3293 0.0019 0.2849 208 PRO L C 6673 O O . PRO B 212 ? 1.1481 0.9339 1.2378 0.3597 0.0053 0.2912 208 PRO L O 6674 C CB . PRO B 212 ? 0.8800 0.8063 1.0183 0.3156 -0.0389 0.3069 208 PRO L CB 6675 C CG . PRO B 212 ? 0.8205 0.8274 1.0081 0.3045 -0.0409 0.2994 208 PRO L CG 6676 C CD . PRO B 212 ? 0.8184 0.8033 1.0066 0.3102 -0.0088 0.2763 208 PRO L CD 6684 N N . THR B 213 ? 1.2165 0.9056 1.2214 0.3124 0.0108 0.2751 209 THR L N 6685 C CA . THR B 213 ? 1.3766 0.9835 1.3465 0.3273 0.0236 0.2694 209 THR L CA 6686 C C . THR B 213 ? 1.4269 0.9575 1.3389 0.2980 0.0182 0.2708 209 THR L C 6687 O O . THR B 213 ? 1.3532 0.8833 1.2462 0.2648 0.0146 0.2669 209 THR L O 6688 C CB . THR B 213 ? 1.4295 1.0063 1.3921 0.3385 0.0508 0.2426 209 THR L CB 6689 O OG1 . THR B 213 ? 1.4211 0.9699 1.3520 0.3067 0.0566 0.2234 209 THR L OG1 6690 C CG2 . THR B 213 ? 1.3878 1.0437 1.4093 0.3638 0.0604 0.2413 209 THR L CG2 6698 N N . GLU B 214 ? 1.5320 1.0005 1.4187 0.3093 0.0186 0.2774 210 GLU L N 6699 C CA . GLU B 214 ? 1.5515 0.9468 1.3878 0.2800 0.0147 0.2798 210 GLU L CA 6700 C C . GLU B 214 ? 1.5465 0.8599 1.3537 0.2931 0.0277 0.2698 210 GLU L C 6701 O O . GLU B 214 ? 1.4961 0.8101 1.3207 0.3308 0.0343 0.2727 210 GLU L O 6702 C CB . GLU B 214 ? 1.5814 0.9923 1.4144 0.2735 -0.0065 0.3090 210 GLU L CB 6703 C CG . GLU B 214 ? 1.6617 1.0094 1.4714 0.2855 -0.0092 0.3233 210 GLU L CG 6704 C CD . GLU B 214 ? 1.6565 1.0237 1.4625 0.2822 -0.0311 0.3533 210 GLU L CD 6705 O OE1 . GLU B 214 ? 1.7144 1.0237 1.4906 0.2762 -0.0338 0.3669 210 GLU L OE1 6706 O OE2 . GLU B 214 ? 1.5973 1.0369 1.4281 0.2846 -0.0462 0.3629 210 GLU L OE2 6713 N N . THR C 2 ? 2.5834 1.3090 2.2506 0.2356 0.1038 0.4496 119 THR C N 6714 C CA . THR C 2 ? 2.4832 1.2044 2.1286 0.2099 0.1192 0.4322 119 THR C CA 6715 C C . THR C 2 ? 2.4313 1.1821 2.0892 0.2029 0.1177 0.4094 119 THR C C 6716 O O . THR C 2 ? 2.3792 1.1550 2.0380 0.2145 0.0997 0.4149 119 THR C O 6717 C CB . THR C 2 ? 2.3844 1.0966 1.9830 0.2009 0.1140 0.4501 119 THR C CB 6718 O OG1 . THR C 2 ? 2.4122 1.1020 1.9981 0.2129 0.1074 0.4765 119 THR C OG1 6719 C CG2 . THR C 2 ? 2.3045 1.0032 1.8865 0.1748 0.1357 0.4344 119 THR C CG2 6726 N N . THR C 3 ? 2.4304 1.1785 2.0975 0.1835 0.1356 0.3841 120 THR C N 6727 C CA . THR C 3 ? 2.3615 1.1351 2.0444 0.1762 0.1354 0.3601 120 THR C CA 6728 C C . THR C 3 ? 2.3201 1.1031 1.9776 0.1557 0.1385 0.3519 120 THR C C 6729 O O . THR C 3 ? 2.3627 1.1303 2.0072 0.1374 0.1526 0.3485 120 THR C O 6730 C CB . THR C 3 ? 2.3118 1.0797 2.0260 0.1679 0.1508 0.3351 120 THR C CB 6731 O OG1 . THR C 3 ? 2.3110 1.1039 2.0400 0.1623 0.1481 0.3129 120 THR C OG1 6732 C CG2 . THR C 3 ? 2.2418 0.9879 1.9470 0.1453 0.1692 0.3264 120 THR C CG2 6740 N N . PHE C 4 ? 2.2073 1.0161 1.8592 0.1589 0.1259 0.3485 121 PHE C N 6741 C CA . PHE C 4 ? 2.1082 0.9305 1.7381 0.1401 0.1279 0.3397 121 PHE C CA 6742 C C . PHE C 4 ? 1.9743 0.8328 1.6327 0.1297 0.1270 0.3095 121 PHE C C 6743 O O . PHE C 4 ? 1.9500 0.8152 1.6378 0.1390 0.1251 0.2982 121 PHE C O 6744 C CB . PHE C 4 ? 2.1426 0.9877 1.7436 0.1458 0.1082 0.3562 121 PHE C CB 6745 C CG . PHE C 4 ? 2.2619 1.0720 1.8314 0.1569 0.1051 0.3875 121 PHE C CG 6746 C CD1 . PHE C 4 ? 2.3041 1.0855 1.8758 0.1523 0.1197 0.3925 121 PHE C CD1 6747 C CD2 . PHE C 4 ? 2.3060 1.1322 1.8528 0.1678 0.0826 0.4065 121 PHE C CD2 6748 C CE1 . PHE C 4 ? 2.3411 1.1024 1.8893 0.1601 0.1141 0.4178 121 PHE C CE1 6749 C CE2 . PHE C 4 ? 2.3505 1.1490 1.8692 0.1764 0.0768 0.4346 121 PHE C CE2 6750 C CZ . PHE C 4 ? 2.3593 1.1293 1.8813 0.1721 0.0923 0.4391 121 PHE C CZ 6760 N N . LYS C 5 ? 1.9034 0.7837 1.5526 0.1106 0.1291 0.2971 122 LYS C N 6761 C CA . LYS C 5 ? 1.8362 0.7477 1.5100 0.0982 0.1292 0.2691 122 LYS C CA 6762 C C . LYS C 5 ? 1.7173 0.6767 1.3864 0.0981 0.1125 0.2626 122 LYS C C 6763 O O . LYS C 5 ? 1.7201 0.6865 1.3610 0.0987 0.1055 0.2770 122 LYS C O 6764 C CB . LYS C 5 ? 1.9285 0.8262 1.6032 0.0740 0.1473 0.2576 122 LYS C CB 6765 C CG . LYS C 5 ? 2.0312 0.9164 1.7343 0.0654 0.1575 0.2380 122 LYS C CG 6766 C CD . LYS C 5 ? 2.1119 1.0023 1.8225 0.0399 0.1683 0.2227 122 LYS C CD 6767 C CE . LYS C 5 ? 2.1662 1.0434 1.9019 0.0290 0.1757 0.2032 122 LYS C CE 6768 N NZ . LYS C 5 ? 2.1545 1.0521 1.9043 0.0055 0.1785 0.1853 122 LYS C NZ 6782 N N . LEU C 6 ? 1.6411 0.6308 1.3353 0.0963 0.1069 0.2404 123 LEU C N 6783 C CA . LEU C 6 ? 1.5965 0.6316 1.2885 0.0942 0.0933 0.2307 123 LEU C CA 6784 C C . LEU C 6 ? 1.5392 0.5954 1.2511 0.0780 0.0980 0.2038 123 LEU C C 6785 O O . LEU C 6 ? 1.5067 0.5629 1.2427 0.0796 0.0988 0.1882 123 LEU C O 6786 C CB . LEU C 6 ? 1.5837 0.6415 1.2859 0.1148 0.0753 0.2342 123 LEU C CB 6787 C CG . LEU C 6 ? 1.5075 0.6125 1.2142 0.1121 0.0627 0.2186 123 LEU C CG 6788 C CD1 . LEU C 6 ? 1.4971 0.6167 1.1735 0.1000 0.0607 0.2238 123 LEU C CD1 6789 C CD2 . LEU C 6 ? 1.4794 0.6062 1.1986 0.1323 0.0455 0.2235 123 LEU C CD2 6801 N N . ALA C 7 ? 1.5134 0.5858 1.2143 0.0621 0.1014 0.1990 124 ALA C N 6802 C CA . ALA C 7 ? 1.4768 0.5725 1.1962 0.0466 0.1039 0.1757 124 ALA C CA 6803 C C . ALA C 7 ? 1.4914 0.6305 1.2095 0.0500 0.0899 0.1663 124 ALA C C 6804 O O . ALA C 7 ? 1.4960 0.6500 1.1925 0.0478 0.0871 0.1742 124 ALA C O 6805 C CB . ALA C 7 ? 1.4030 0.4897 1.1175 0.0268 0.1184 0.1761 124 ALA C CB 6811 N N . ALA C 8 ? 1.5068 0.6635 1.2458 0.0545 0.0825 0.1490 125 ALA C N 6812 C CA . ALA C 8 ? 1.3996 0.5967 1.1396 0.0568 0.0705 0.1375 125 ALA C CA 6813 C C . ALA C 8 ? 1.3508 0.5658 1.1030 0.0393 0.0747 0.1172 125 ALA C C 6814 O O . ALA C 8 ? 1.2857 0.4915 1.0570 0.0326 0.0783 0.1028 125 ALA C O 6815 C CB . ALA C 8 ? 1.3638 0.5697 1.1190 0.0734 0.0603 0.1315 125 ALA C CB 6821 N N . CYS C 9 ? 1.3713 0.6106 1.1115 0.0316 0.0740 0.1165 126 CYS C N 6822 C CA . CYS C 9 ? 1.3976 0.6533 1.1503 0.0148 0.0790 0.1009 126 CYS C CA 6823 C C . CYS C 9 ? 1.3773 0.6715 1.1281 0.0155 0.0701 0.0887 126 CYS C C 6824 O O . CYS C 9 ? 1.3511 0.6602 1.0843 0.0253 0.0623 0.0954 126 CYS C O 6825 C CB . CYS C 9 ? 1.4313 0.6753 1.1759 0.0013 0.0929 0.1112 126 CYS C CB 6826 S SG . CYS C 9 ? 1.6844 0.8815 1.4301 -0.0016 0.1057 0.1255 126 CYS C SG 6831 N N . VAL C 10 ? 1.3836 0.6927 1.1520 0.0042 0.0708 0.0710 127 VAL C N 6832 C CA . VAL C 10 ? 1.3340 0.6777 1.1017 0.0030 0.0643 0.0581 127 VAL C CA 6833 C C . VAL C 10 ? 1.2567 0.6112 1.0351 -0.0140 0.0724 0.0518 127 VAL C C 6834 O O . VAL C 10 ? 1.1880 0.5255 0.9816 -0.0250 0.0800 0.0527 127 VAL C O 6835 C CB . VAL C 10 ? 1.3420 0.6949 1.1228 0.0090 0.0545 0.0404 127 VAL C CB 6836 C CG1 . VAL C 10 ? 1.3337 0.6756 1.1350 -0.0038 0.0570 0.0266 127 VAL C CG1 6837 C CG2 . VAL C 10 ? 1.3260 0.7133 1.1004 0.0119 0.0471 0.0301 127 VAL C CG2 6847 N N . THR C 11 ? 1.2809 0.6639 1.0532 -0.0162 0.0711 0.0459 128 THR C N 6848 C CA . THR C 11 ? 1.2572 0.6527 1.0415 -0.0306 0.0797 0.0417 128 THR C CA 6849 C C . THR C 11 ? 1.1322 0.5405 0.9409 -0.0379 0.0732 0.0233 128 THR C C 6850 O O . THR C 11 ? 1.0875 0.5046 0.8955 -0.0311 0.0624 0.0108 128 THR C O 6851 C CB . THR C 11 ? 1.3118 0.7287 1.0763 -0.0303 0.0839 0.0448 128 THR C CB 6852 O OG1 . THR C 11 ? 1.3434 0.7466 1.0792 -0.0236 0.0867 0.0616 128 THR C OG1 6853 C CG2 . THR C 11 ? 1.3472 0.7717 1.1255 -0.0445 0.0974 0.0449 128 THR C CG2 6861 N N . LEU C 12 ? 1.0980 0.5063 0.9283 -0.0523 0.0798 0.0222 129 LEU C N 6862 C CA . LEU C 12 ? 1.1180 0.5368 0.9715 -0.0615 0.0722 0.0067 129 LEU C CA 6863 C C . LEU C 12 ? 1.2029 0.6405 1.0759 -0.0738 0.0793 0.0070 129 LEU C C 6864 O O . LEU C 12 ? 1.2514 0.6851 1.1278 -0.0789 0.0931 0.0197 129 LEU C O 6865 C CB . LEU C 12 ? 1.1205 0.5130 0.9887 -0.0682 0.0690 0.0042 129 LEU C CB 6866 C CG . LEU C 12 ? 1.1082 0.4854 0.9662 -0.0588 0.0595 -0.0046 129 LEU C CG 6867 C CD1 . LEU C 12 ? 1.1428 0.4871 1.0101 -0.0656 0.0614 -0.0028 129 LEU C CD1 6868 C CD2 . LEU C 12 ? 1.0530 0.4468 0.9135 -0.0600 0.0482 -0.0232 129 LEU C CD2 6880 N N . ALA C 13 ? 1.2390 0.6958 1.1253 -0.0785 0.0704 -0.0067 130 ALA C N 6881 C CA . ALA C 13 ? 1.2568 0.7331 1.1676 -0.0897 0.0752 -0.0068 130 ALA C CA 6882 C C . ALA C 13 ? 1.2678 0.7461 1.2026 -0.1005 0.0617 -0.0185 130 ALA C C 6883 O O . ALA C 13 ? 1.2337 0.7121 1.1580 -0.0968 0.0487 -0.0319 130 ALA C O 6884 C CB . ALA C 13 ? 1.2350 0.7369 1.1329 -0.0838 0.0785 -0.0100 130 ALA C CB 6890 N N . CYS C 14 ? 1.3297 0.8085 1.2963 -0.1145 0.0647 -0.0133 131 CYS C N 6891 C CA . CYS C 14 ? 1.3869 0.8648 1.3763 -0.1273 0.0498 -0.0225 131 CYS C CA 6892 C C . CYS C 14 ? 1.3672 0.8691 1.3932 -0.1388 0.0505 -0.0194 131 CYS C C 6893 O O . CYS C 14 ? 1.4058 0.9279 1.4355 -0.1344 0.0618 -0.0141 131 CYS C O 6894 C CB . CYS C 14 ? 1.4627 0.9106 1.4580 -0.1354 0.0485 -0.0194 131 CYS C CB 6895 S SG . CYS C 14 ? 1.4912 0.9088 1.4489 -0.1209 0.0495 -0.0207 131 CYS C SG 6900 N N . THR C 15 ? 1.2923 0.7912 1.3453 -0.1538 0.0382 -0.0224 132 THR C N 6901 C CA . THR C 15 ? 1.2026 0.7252 1.2967 -0.1654 0.0358 -0.0184 132 THR C CA 6902 C C . THR C 15 ? 1.1793 0.6914 1.3075 -0.1831 0.0311 -0.0130 132 THR C C 6903 O O . THR C 15 ? 1.1617 0.6665 1.2956 -0.1945 0.0117 -0.0214 132 THR C O 6904 C CB . THR C 15 ? 1.1538 0.6933 1.2474 -0.1667 0.0174 -0.0308 132 THR C CB 6905 O OG1 . THR C 15 ? 1.1758 0.6936 1.2497 -0.1714 -0.0006 -0.0434 132 THR C OG1 6906 C CG2 . THR C 15 ? 1.1036 0.6583 1.1704 -0.1509 0.0241 -0.0353 132 THR C CG2 6914 N N . ARG C 26 ? 1.5603 0.9192 1.6291 -0.3079 -0.1012 -0.0933 153 ARG C N 6915 C CA . ARG C 26 ? 1.5797 0.9528 1.6639 -0.2961 -0.0943 -0.0826 153 ARG C CA 6916 C C . ARG C 26 ? 1.5620 0.9263 1.6105 -0.2752 -0.0877 -0.0907 153 ARG C C 6917 O O . ARG C 26 ? 1.5757 0.9199 1.5919 -0.2681 -0.0838 -0.1023 153 ARG C O 6918 C CB . ARG C 26 ? 1.6588 1.0201 1.7656 -0.2973 -0.0778 -0.0686 153 ARG C CB 6919 C CG . ARG C 26 ? 1.7609 1.1380 1.9110 -0.3164 -0.0819 -0.0581 153 ARG C CG 6920 C CD . ARG C 26 ? 1.8523 1.2714 2.0428 -0.3193 -0.0936 -0.0497 153 ARG C CD 6921 N NE . ARG C 26 ? 1.9959 1.4344 2.2314 -0.3372 -0.0991 -0.0399 153 ARG C NE 6922 C CZ . ARG C 26 ? 2.0890 1.5658 2.3677 -0.3423 -0.1103 -0.0315 153 ARG C CZ 6923 N NH1 . ARG C 26 ? 2.0893 1.5873 2.3707 -0.3314 -0.1165 -0.0319 153 ARG C NH1 6924 N NH2 . ARG C 26 ? 2.1457 1.6396 2.4665 -0.3580 -0.1148 -0.0225 153 ARG C NH2 6937 N N . VAL C 27 ? 1.5180 0.8991 1.5755 -0.2649 -0.0860 -0.0844 154 VAL C N 6938 C CA . VAL C 27 ? 1.4451 0.8201 1.4689 -0.2456 -0.0797 -0.0914 154 VAL C CA 6939 C C . VAL C 27 ? 1.5184 0.9216 1.5577 -0.2273 -0.0607 -0.0788 154 VAL C C 6940 O O . VAL C 27 ? 1.4872 0.9224 1.5605 -0.2292 -0.0602 -0.0690 154 VAL C O 6941 C CB . VAL C 27 ? 1.2487 0.6449 1.2592 -0.2424 -0.0928 -0.1028 154 VAL C CB 6942 C CG1 . VAL C 27 ? 1.2357 0.6302 1.2163 -0.2225 -0.0847 -0.1090 154 VAL C CG1 6943 C CG2 . VAL C 27 ? 1.1483 0.5376 1.1406 -0.2497 -0.1009 -0.1153 154 VAL C CG2 6953 N N . LYS C 28 ? 1.6208 1.0112 1.6350 -0.2099 -0.0446 -0.0786 155 LYS C N 6954 C CA . LYS C 28 ? 1.6826 1.0955 1.7013 -0.1923 -0.0271 -0.0679 155 LYS C CA 6955 C C . LYS C 28 ? 1.6436 1.0605 1.6289 -0.1735 -0.0245 -0.0769 155 LYS C C 6956 O O . LYS C 28 ? 1.7179 1.1096 1.6745 -0.1690 -0.0267 -0.0874 155 LYS C O 6957 C CB . LYS C 28 ? 1.7943 1.1901 1.8155 -0.1886 -0.0099 -0.0559 155 LYS C CB 6958 C CG . LYS C 28 ? 1.8891 1.2854 1.9477 -0.2056 -0.0077 -0.0449 155 LYS C CG 6959 C CD . LYS C 28 ? 1.9728 1.3494 2.0291 -0.2007 0.0111 -0.0331 155 LYS C CD 6960 C CE . LYS C 28 ? 2.0083 1.3840 2.1027 -0.2185 0.0149 -0.0228 155 LYS C CE 6961 N NZ . LYS C 28 ? 2.0301 1.3801 2.1177 -0.2150 0.0331 -0.0125 155 LYS C NZ 6975 N N . HIS C 29 ? 1.5132 0.9609 1.5033 -0.1632 -0.0187 -0.0730 156 HIS C N 6976 C CA . HIS C 29 ? 1.4158 0.8711 1.3769 -0.1461 -0.0158 -0.0808 156 HIS C CA 6977 C C . HIS C 29 ? 1.2933 0.7557 1.2472 -0.1309 0.0018 -0.0695 156 HIS C C 6978 O O . HIS C 29 ? 1.2868 0.7631 1.2605 -0.1327 0.0123 -0.0565 156 HIS C O 6979 C CB . HIS C 29 ? 1.4566 0.9396 1.4225 -0.1466 -0.0236 -0.0868 156 HIS C CB 6980 C CG . HIS C 29 ? 1.5772 1.0529 1.5460 -0.1616 -0.0431 -0.0974 156 HIS C CG 6981 N ND1 . HIS C 29 ? 1.6338 1.0882 1.5721 -0.1615 -0.0527 -0.1134 156 HIS C ND1 6982 C CD2 . HIS C 29 ? 1.6471 1.1329 1.6452 -0.1777 -0.0551 -0.0939 156 HIS C CD2 6983 C CE1 . HIS C 29 ? 1.6822 1.1315 1.6261 -0.1778 -0.0702 -0.1195 156 HIS C CE1 6984 N NE2 . HIS C 29 ? 1.6901 1.1597 1.6714 -0.1878 -0.0734 -0.1074 156 HIS C NE2 6992 N N . CYS C 30 ? 1.1945 0.6464 1.1200 -0.1165 0.0052 -0.0741 157 CYS C N 6993 C CA . CYS C 30 ? 1.1106 0.5656 1.0252 -0.1027 0.0190 -0.0627 157 CYS C CA 6994 C C . CYS C 30 ? 1.0447 0.5076 0.9329 -0.0867 0.0185 -0.0703 157 CYS C C 6995 O O . CYS C 30 ? 1.0750 0.5320 0.9517 -0.0852 0.0096 -0.0847 157 CYS C O 6996 C CB . CYS C 30 ? 1.1429 0.5685 1.0558 -0.1025 0.0252 -0.0539 157 CYS C CB 6997 S SG . CYS C 30 ? 1.9314 1.3461 1.8760 -0.1218 0.0279 -0.0442 157 CYS C SG 7002 N N . SER C 31 ? 0.9837 0.4588 0.8619 -0.0759 0.0282 -0.0606 158 SER C N 7003 C CA . SER C 31 ? 0.9696 0.4533 0.8247 -0.0610 0.0275 -0.0657 158 SER C CA 7004 C C . SER C 31 ? 0.9225 0.4012 0.7648 -0.0505 0.0361 -0.0509 158 SER C C 7005 O O . SER C 31 ? 0.9192 0.3934 0.7675 -0.0549 0.0452 -0.0369 158 SER C O 7006 C CB . SER C 31 ? 0.9930 0.5058 0.8443 -0.0601 0.0271 -0.0725 158 SER C CB 7007 O OG . SER C 31 ? 1.0122 0.5398 0.8640 -0.0599 0.0383 -0.0601 158 SER C OG 7013 N N . PHE C 32 ? 0.9123 0.3909 0.7373 -0.0370 0.0331 -0.0537 159 PHE C N 7014 C CA . PHE C 32 ? 0.9359 0.4090 0.7472 -0.0263 0.0377 -0.0391 159 PHE C CA 7015 C C . PHE C 32 ? 0.9243 0.4092 0.7205 -0.0123 0.0319 -0.0446 159 PHE C C 7016 O O . PHE C 32 ? 0.9332 0.4251 0.7305 -0.0105 0.0259 -0.0604 159 PHE C O 7017 C CB . PHE C 32 ? 1.0178 0.4599 0.8346 -0.0257 0.0397 -0.0305 159 PHE C CB 7018 C CG . PHE C 32 ? 1.0703 0.4942 0.8926 -0.0247 0.0335 -0.0431 159 PHE C CG 7019 C CD1 . PHE C 32 ? 1.0691 0.4837 0.8840 -0.0105 0.0311 -0.0436 159 PHE C CD1 7020 C CD2 . PHE C 32 ? 1.0999 0.5152 0.9349 -0.0384 0.0303 -0.0541 159 PHE C CD2 7021 C CE1 . PHE C 32 ? 1.0589 0.4534 0.8778 -0.0097 0.0286 -0.0557 159 PHE C CE1 7022 C CE2 . PHE C 32 ? 1.0968 0.4908 0.9315 -0.0390 0.0259 -0.0664 159 PHE C CE2 7023 C CZ . PHE C 32 ? 1.0661 0.4485 0.8922 -0.0245 0.0266 -0.0676 159 PHE C CZ 7033 N N . ASN C 33 ? 0.9479 0.4344 0.7300 -0.0030 0.0334 -0.0311 160 ASN C N 7034 C CA . ASN C 33 ? 1.0274 0.5268 0.7981 0.0102 0.0267 -0.0334 160 ASN C CA 7035 C C . ASN C 33 ? 1.1314 0.6105 0.9063 0.0218 0.0231 -0.0270 160 ASN C C 7036 O O . ASN C 33 ? 1.1642 0.6215 0.9403 0.0217 0.0271 -0.0132 160 ASN C O 7037 C CB . ASN C 33 ? 1.0520 0.5682 0.8023 0.0120 0.0285 -0.0223 160 ASN C CB 7038 C CG . ASN C 33 ? 1.0264 0.5602 0.7727 0.0010 0.0352 -0.0277 160 ASN C CG 7039 O OD1 . ASN C 33 ? 0.9908 0.5417 0.7399 -0.0006 0.0327 -0.0430 160 ASN C OD1 7040 N ND2 . ASN C 33 ? 1.0429 0.5711 0.7825 -0.0064 0.0452 -0.0148 160 ASN C ND2 7046 N N . ILE C 34 ? 1.1731 0.6585 0.9515 0.0319 0.0171 -0.0369 161 ILE C N 7047 C CA . ILE C 34 ? 1.2289 0.6948 1.0167 0.0437 0.0153 -0.0329 161 ILE C CA 7048 C C . ILE C 34 ? 1.1905 0.6745 0.9782 0.0583 0.0082 -0.0329 161 ILE C C 7049 O O . ILE C 34 ? 1.1224 0.6317 0.9054 0.0580 0.0049 -0.0437 161 ILE C O 7050 C CB . ILE C 34 ? 1.2928 0.7383 1.0933 0.0395 0.0180 -0.0490 161 ILE C CB 7051 C CG1 . ILE C 34 ? 1.2189 0.6805 1.0206 0.0424 0.0148 -0.0684 161 ILE C CG1 7052 C CG2 . ILE C 34 ? 1.3724 0.8075 1.1748 0.0224 0.0219 -0.0526 161 ILE C CG2 7053 C CD1 . ILE C 34 ? 1.1824 0.6239 0.9889 0.0339 0.0174 -0.0864 161 ILE C CD1 7065 N N . THR C 35 ? 1.2601 0.7310 1.0552 0.0712 0.0061 -0.0204 162 THR C N 7066 C CA . THR C 35 ? 1.3366 0.8239 1.1392 0.0861 -0.0014 -0.0189 162 THR C CA 7067 C C . THR C 35 ? 1.4221 0.9088 1.2401 0.0892 0.0015 -0.0398 162 THR C C 7068 O O . THR C 35 ? 1.3767 0.8366 1.2029 0.0862 0.0088 -0.0481 162 THR C O 7069 C CB . THR C 35 ? 1.3675 0.8387 1.1782 0.0999 -0.0042 0.0014 162 THR C CB 7070 O OG1 . THR C 35 ? 1.4188 0.8910 1.2103 0.0975 -0.0079 0.0214 162 THR C OG1 7071 C CG2 . THR C 35 ? 1.3343 0.8226 1.1615 0.1160 -0.0119 0.0022 162 THR C CG2 7079 N N . THR C 36 ? 1.5686 1.0828 1.3885 0.0943 -0.0037 -0.0484 163 THR C N 7080 C CA . THR C 36 ? 1.6970 1.2114 1.5283 0.0960 0.0005 -0.0696 163 THR C CA 7081 C C . THR C 36 ? 1.7980 1.3273 1.6480 0.1120 -0.0035 -0.0682 163 THR C C 7082 O O . THR C 36 ? 1.8488 1.4030 1.6992 0.1127 -0.0061 -0.0797 163 THR C O 7083 C CB . THR C 36 ? 1.6791 1.2135 1.4962 0.0842 0.0006 -0.0868 163 THR C CB 7084 O OG1 . THR C 36 ? 1.6304 1.1980 1.4399 0.0872 -0.0069 -0.0824 163 THR C OG1 7085 C CG2 . THR C 36 ? 1.7121 1.2373 1.5152 0.0688 0.0035 -0.0862 163 THR C CG2 7093 N N . ASP C 37 ? 1.8141 1.3280 1.6812 0.1248 -0.0035 -0.0535 164 ASP C N 7094 C CA . ASP C 37 ? 1.7964 1.3223 1.6893 0.1419 -0.0069 -0.0492 164 ASP C CA 7095 C C . ASP C 37 ? 1.7641 1.3080 1.6584 0.1512 -0.0208 -0.0242 164 ASP C C 7096 O O . ASP C 37 ? 1.7954 1.3371 1.7140 0.1668 -0.0240 -0.0113 164 ASP C O 7097 C CB . ASP C 37 ? 1.7776 1.3288 1.6768 0.1422 -0.0067 -0.0684 164 ASP C CB 7098 C CG . ASP C 37 ? 1.7583 1.3482 1.6447 0.1392 -0.0195 -0.0639 164 ASP C CG 7099 O OD1 . ASP C 37 ? 1.7224 1.3165 1.5861 0.1316 -0.0257 -0.0517 164 ASP C OD1 7100 O OD2 . ASP C 37 ? 1.7794 1.3939 1.6776 0.1438 -0.0221 -0.0731 164 ASP C OD2 7105 N N . VAL C 38 ? 1.6771 1.2373 1.5451 0.1415 -0.0289 -0.0170 165 VAL C N 7106 C CA . VAL C 38 ? 1.5857 1.1638 1.4476 0.1474 -0.0438 0.0052 165 VAL C CA 7107 C C . VAL C 38 ? 1.5809 1.1470 1.4122 0.1374 -0.0453 0.0203 165 VAL C C 7108 O O . VAL C 38 ? 1.5761 1.1409 1.3860 0.1226 -0.0388 0.0109 165 VAL C O 7109 C CB . VAL C 38 ? 1.4786 1.0957 1.3361 0.1457 -0.0540 -0.0013 165 VAL C CB 7110 C CG1 . VAL C 38 ? 1.4805 1.1121 1.3157 0.1438 -0.0689 0.0197 165 VAL C CG1 7111 C CG2 . VAL C 38 ? 1.4258 1.0581 1.3191 0.1597 -0.0561 -0.0075 165 VAL C CG2 7121 N N . LYS C 39 ? 1.5812 1.1377 1.4117 0.1459 -0.0532 0.0444 166 LYS C N 7122 C CA . LYS C 39 ? 1.5735 1.1167 1.3732 0.1374 -0.0546 0.0613 166 LYS C CA 7123 C C . LYS C 39 ? 1.5308 1.0917 1.2984 0.1214 -0.0550 0.0549 166 LYS C C 7124 O O . LYS C 39 ? 1.5259 1.0721 1.2753 0.1088 -0.0446 0.0526 166 LYS C O 7125 C CB . LYS C 39 ? 1.5976 1.1380 1.3957 0.1490 -0.0686 0.0888 166 LYS C CB 7126 C CG . LYS C 39 ? 1.5640 1.1312 1.3874 0.1638 -0.0839 0.0939 166 LYS C CG 7127 C CD . LYS C 39 ? 1.5201 1.1107 1.3193 0.1608 -0.1028 0.1090 166 LYS C CD 7128 C CE . LYS C 39 ? 1.4908 1.0718 1.2923 0.1731 -0.1177 0.1386 166 LYS C CE 7129 N NZ . LYS C 39 ? 1.4355 1.0281 1.2840 0.1929 -0.1255 0.1437 166 LYS C NZ 7143 N N . ASP C 40 ? 1.5084 1.1004 1.2706 0.1218 -0.0662 0.0525 167 ASP C N 7144 C CA . ASP C 40 ? 1.5143 1.1217 1.2432 0.1071 -0.0663 0.0484 167 ASP C CA 7145 C C . ASP C 40 ? 1.4030 1.0163 1.1295 0.0953 -0.0530 0.0243 167 ASP C C 7146 O O . ASP C 40 ? 1.3955 1.0160 1.0952 0.0826 -0.0490 0.0213 167 ASP C O 7147 C CB . ASP C 40 ? 1.6052 1.2432 1.3277 0.1098 -0.0830 0.0529 167 ASP C CB 7148 C CG . ASP C 40 ? 1.6345 1.2980 1.3850 0.1155 -0.0845 0.0336 167 ASP C CG 7149 O OD1 . ASP C 40 ? 1.6362 1.3256 1.3911 0.1198 -0.0988 0.0373 167 ASP C OD1 7150 O OD2 . ASP C 40 ? 1.6457 1.3027 1.4131 0.1151 -0.0717 0.0149 167 ASP C OD2 7155 N N . ARG C 41 ? 1.3044 0.9132 1.0572 0.0992 -0.0458 0.0076 168 ARG C N 7156 C CA . ARG C 41 ? 1.2031 0.8174 0.9537 0.0886 -0.0354 -0.0148 168 ARG C CA 7157 C C . ARG C 41 ? 1.1544 0.7415 0.9101 0.0819 -0.0234 -0.0199 168 ARG C C 7158 O O . ARG C 41 ? 1.1947 0.7609 0.9695 0.0887 -0.0208 -0.0189 168 ARG C O 7159 C CB . ARG C 41 ? 1.1902 0.8213 0.9617 0.0950 -0.0366 -0.0334 168 ARG C CB 7160 C CG . ARG C 41 ? 1.2548 0.9186 1.0191 0.0956 -0.0459 -0.0362 168 ARG C CG 7161 C CD . ARG C 41 ? 1.3590 1.0361 1.1504 0.1048 -0.0466 -0.0514 168 ARG C CD 7162 N NE . ARG C 41 ? 1.4588 1.1229 1.2568 0.1002 -0.0339 -0.0727 168 ARG C NE 7163 C CZ . ARG C 41 ? 1.5161 1.1942 1.3103 0.0946 -0.0292 -0.0930 168 ARG C CZ 7164 N NH1 . ARG C 41 ? 1.5449 1.2516 1.3303 0.0927 -0.0349 -0.0963 168 ARG C NH1 7165 N NH2 . ARG C 41 ? 1.5148 1.1764 1.3124 0.0900 -0.0190 -0.1102 168 ARG C NH2 7179 N N . LYS C 42 ? 1.0795 0.6668 0.8193 0.0681 -0.0157 -0.0251 169 LYS C N 7180 C CA . LYS C 42 ? 1.0481 0.6143 0.7950 0.0595 -0.0058 -0.0315 169 LYS C CA 7181 C C . LYS C 42 ? 1.0346 0.6129 0.7818 0.0501 -0.0010 -0.0523 169 LYS C C 7182 O O . LYS C 42 ? 1.0594 0.6613 0.7976 0.0493 -0.0031 -0.0608 169 LYS C O 7183 C CB . LYS C 42 ? 1.0698 0.6209 0.8029 0.0512 0.0000 -0.0155 169 LYS C CB 7184 C CG . LYS C 42 ? 1.1682 0.6946 0.9053 0.0586 -0.0014 0.0028 169 LYS C CG 7185 C CD . LYS C 42 ? 1.2516 0.7581 0.9789 0.0483 0.0080 0.0144 169 LYS C CD 7186 C CE . LYS C 42 ? 1.3077 0.7849 1.0418 0.0548 0.0088 0.0295 169 LYS C CE 7187 N NZ . LYS C 42 ? 1.3144 0.7686 1.0537 0.0434 0.0202 0.0307 169 LYS C NZ 7201 N N . GLN C 43 ? 0.9967 0.5576 0.7536 0.0424 0.0049 -0.0601 170 GLN C N 7202 C CA . GLN C 43 ? 0.9609 0.5294 0.7192 0.0334 0.0080 -0.0786 170 GLN C CA 7203 C C . GLN C 43 ? 0.9544 0.5052 0.7197 0.0213 0.0132 -0.0785 170 GLN C C 7204 O O . GLN C 43 ? 0.9892 0.5161 0.7637 0.0214 0.0143 -0.0719 170 GLN C O 7205 C CB . GLN C 43 ? 0.9967 0.5634 0.7650 0.0395 0.0055 -0.0957 170 GLN C CB 7206 C CG . GLN C 43 ? 1.0846 0.6388 0.8574 0.0296 0.0082 -0.1123 170 GLN C CG 7207 C CD . GLN C 43 ? 1.1623 0.7066 0.9413 0.0354 0.0079 -0.1284 170 GLN C CD 7208 O OE1 . GLN C 43 ? 1.2163 0.7673 1.0003 0.0475 0.0066 -0.1279 170 GLN C OE1 7209 N NE2 . GLN C 43 ? 1.1490 0.6764 0.9280 0.0261 0.0093 -0.1423 170 GLN C NE2 7218 N N . LYS C 44 ? 0.9229 0.4857 0.6854 0.0109 0.0164 -0.0856 171 LYS C N 7219 C CA . LYS C 44 ? 0.9162 0.4670 0.6896 -0.0015 0.0200 -0.0851 171 LYS C CA 7220 C C . LYS C 44 ? 0.8920 0.4262 0.6758 -0.0054 0.0157 -0.0997 171 LYS C C 7221 O O . LYS C 44 ? 0.8534 0.3917 0.6332 -0.0014 0.0123 -0.1145 171 LYS C O 7222 C CB . LYS C 44 ? 0.9100 0.4802 0.6804 -0.0104 0.0249 -0.0868 171 LYS C CB 7223 C CG . LYS C 44 ? 0.9344 0.4960 0.7213 -0.0231 0.0284 -0.0833 171 LYS C CG 7224 C CD . LYS C 44 ? 0.9173 0.4989 0.7064 -0.0307 0.0331 -0.0872 171 LYS C CD 7225 C CE . LYS C 44 ? 0.9323 0.5257 0.7093 -0.0302 0.0439 -0.0750 171 LYS C CE 7226 N NZ . LYS C 44 ? 0.9436 0.5539 0.7255 -0.0375 0.0513 -0.0780 171 LYS C NZ 7240 N N . VAL C 45 ? 0.9232 0.4371 0.7187 -0.0143 0.0165 -0.0958 172 VAL C N 7241 C CA . VAL C 45 ? 0.9553 0.4478 0.7567 -0.0205 0.0121 -0.1085 172 VAL C CA 7242 C C . VAL C 45 ? 0.9138 0.3969 0.7284 -0.0364 0.0111 -0.1064 172 VAL C C 7243 O O . VAL C 45 ? 0.8734 0.3572 0.6966 -0.0406 0.0159 -0.0920 172 VAL C O 7244 C CB . VAL C 45 ? 1.0411 0.5074 0.8432 -0.0121 0.0131 -0.1065 172 VAL C CB 7245 C CG1 . VAL C 45 ? 1.1409 0.5772 0.9477 -0.0227 0.0112 -0.1155 172 VAL C CG1 7246 C CG2 . VAL C 45 ? 0.9858 0.4600 0.7808 0.0019 0.0123 -0.1143 172 VAL C CG2 7256 N N . ASN C 46 ? 0.9464 0.4199 0.7622 -0.0458 0.0045 -0.1205 173 ASN C N 7257 C CA . ASN C 46 ? 1.0213 0.4853 0.8511 -0.0623 0.0001 -0.1195 173 ASN C CA 7258 C C . ASN C 46 ? 1.0719 0.5005 0.9031 -0.0681 -0.0014 -0.1209 173 ASN C C 7259 O O . ASN C 46 ? 1.1174 0.5268 0.9365 -0.0606 -0.0001 -0.1284 173 ASN C O 7260 C CB . ASN C 46 ? 1.0832 0.5567 0.9113 -0.0713 -0.0085 -0.1332 173 ASN C CB 7261 C CG . ASN C 46 ? 1.1252 0.6300 0.9631 -0.0734 -0.0067 -0.1275 173 ASN C CG 7262 O OD1 . ASN C 46 ? 1.1385 0.6586 0.9799 -0.0673 0.0024 -0.1152 173 ASN C OD1 7263 N ND2 . ASN C 46 ? 1.1401 0.6525 0.9812 -0.0825 -0.0150 -0.1362 173 ASN C ND2 7269 N N . ALA C 47 ? 1.0821 0.5012 0.9289 -0.0819 -0.0031 -0.1138 174 ALA C N 7270 C CA . ALA C 47 ? 1.1310 0.5147 0.9782 -0.0908 -0.0046 -0.1158 174 ALA C CA 7271 C C . ALA C 47 ? 1.1740 0.5554 1.0411 -0.1101 -0.0104 -0.1112 174 ALA C C 7272 O O . ALA C 47 ? 1.1792 0.5844 1.0648 -0.1132 -0.0084 -0.1005 174 ALA C O 7273 C CB . ALA C 47 ? 1.1742 0.5409 1.0194 -0.0797 0.0057 -0.1045 174 ALA C CB 7279 N N . THR C 48 ? 1.2440 0.5958 1.1078 -0.1238 -0.0172 -0.1192 175 THR C N 7280 C CA . THR C 48 ? 1.3345 0.6841 1.2179 -0.1444 -0.0260 -0.1163 175 THR C CA 7281 C C . THR C 48 ? 1.3573 0.6678 1.2384 -0.1560 -0.0253 -0.1167 175 THR C C 7282 O O . THR C 48 ? 1.3309 0.6156 1.1943 -0.1474 -0.0177 -0.1205 175 THR C O 7283 C CB . THR C 48 ? 1.4194 0.7771 1.2994 -0.1561 -0.0419 -0.1288 175 THR C CB 7284 O OG1 . THR C 48 ? 1.4851 0.8355 1.3494 -0.1532 -0.0445 -0.1423 175 THR C OG1 7285 C CG2 . THR C 48 ? 1.3918 0.7860 1.2730 -0.1449 -0.0413 -0.1290 175 THR C CG2 7293 N N . PHE C 49 ? 1.4030 0.7111 1.3046 -0.1754 -0.0328 -0.1122 176 PHE C N 7294 C CA . PHE C 49 ? 1.4482 0.7316 1.3552 -0.1860 -0.0315 -0.1110 176 PHE C CA 7295 C C . PHE C 49 ? 1.4781 0.7732 1.4037 -0.2059 -0.0465 -0.1157 176 PHE C C 7296 O O . PHE C 49 ? 1.4574 0.7772 1.3953 -0.2133 -0.0581 -0.1167 176 PHE C O 7297 C CB . PHE C 49 ? 1.4493 0.7217 1.3702 -0.1861 -0.0184 -0.0947 176 PHE C CB 7298 C CG . PHE C 49 ? 1.4218 0.7001 1.3330 -0.1625 -0.0031 -0.0864 176 PHE C CG 7299 C CD1 . PHE C 49 ? 1.4425 0.6891 1.3348 -0.1523 0.0068 -0.0867 176 PHE C CD1 7300 C CD2 . PHE C 49 ? 1.3686 0.6830 1.2892 -0.1509 0.0014 -0.0777 176 PHE C CD2 7301 C CE1 . PHE C 49 ? 1.4257 0.6789 1.3106 -0.1309 0.0182 -0.0776 176 PHE C CE1 7302 C CE2 . PHE C 49 ? 1.3512 0.6701 1.2601 -0.1310 0.0132 -0.0696 176 PHE C CE2 7303 C CZ . PHE C 49 ? 1.3833 0.6727 1.2753 -0.1209 0.0203 -0.0691 176 PHE C CZ 7313 N N . TYR C 50 ? 1.5594 0.8358 1.4863 -0.2143 -0.0456 -0.1180 177 TYR C N 7314 C CA . TYR C 50 ? 1.6828 0.9659 1.6241 -0.2342 -0.0582 -0.1223 177 TYR C CA 7315 C C . TYR C 50 ? 1.9067 1.1656 1.8579 -0.2449 -0.0526 -0.1174 177 TYR C C 7316 O O . TYR C 50 ? 2.0008 1.2343 1.9361 -0.2360 -0.0420 -0.1186 177 TYR C O 7317 C CB . TYR C 50 ? 1.6333 0.9208 1.5536 -0.2329 -0.0658 -0.1376 177 TYR C CB 7318 C CG . TYR C 50 ? 1.5823 0.8926 1.4911 -0.2209 -0.0695 -0.1432 177 TYR C CG 7319 C CD1 . TYR C 50 ? 1.5838 0.9212 1.5051 -0.2289 -0.0824 -0.1420 177 TYR C CD1 7320 C CD2 . TYR C 50 ? 1.5418 0.8474 1.4289 -0.2015 -0.0599 -0.1489 177 TYR C CD2 7321 C CE1 . TYR C 50 ? 1.5502 0.9078 1.4606 -0.2177 -0.0849 -0.1470 177 TYR C CE1 7322 C CE2 . TYR C 50 ? 1.5045 0.8321 1.3821 -0.1909 -0.0623 -0.1544 177 TYR C CE2 7323 C CZ . TYR C 50 ? 1.5153 0.8682 1.4035 -0.1990 -0.0745 -0.1536 177 TYR C CZ 7324 O OH . TYR C 50 ? 1.4995 0.8737 1.3780 -0.1883 -0.0761 -0.1589 177 TYR C OH 7334 N N . LEU C 68 ? 1.3995 0.9668 1.5572 -0.1651 0.0885 0.0145 190 LEU C N 7335 C CA . LEU C 68 ? 1.4493 1.0053 1.5557 -0.1501 0.0940 0.0107 190 LEU C CA 7336 C C . LEU C 68 ? 1.4850 1.0208 1.5764 -0.1472 0.1156 0.0230 190 LEU C C 7337 O O . LEU C 68 ? 1.4701 1.0115 1.5750 -0.1489 0.1366 0.0336 190 LEU C O 7338 C CB . LEU C 68 ? 1.4607 1.0390 1.5539 -0.1408 0.0981 0.0062 190 LEU C CB 7339 C CG . LEU C 68 ? 1.4494 1.0209 1.4911 -0.1263 0.0991 0.0000 190 LEU C CG 7340 C CD1 . LEU C 68 ? 1.4701 1.0631 1.5019 -0.1203 0.0915 -0.0110 190 LEU C CD1 7341 C CD2 . LEU C 68 ? 1.3900 0.9526 1.4111 -0.1210 0.1224 0.0117 190 LEU C CD2 7352 N N . TYR C 69 ? 1.5344 1.0448 1.5969 -0.1428 0.1111 0.0220 191 TYR C N 7353 C CA . TYR C 69 ? 1.5803 1.0672 1.6262 -0.1405 0.1289 0.0344 191 TYR C CA 7354 C C . TYR C 69 ? 1.5563 1.0239 1.5555 -0.1273 0.1238 0.0322 191 TYR C C 7355 O O . TYR C 69 ? 1.5107 0.9742 1.4993 -0.1235 0.1060 0.0214 191 TYR C O 7356 C CB . TYR C 69 ? 1.6448 1.1154 1.7216 -0.1539 0.1318 0.0410 191 TYR C CB 7357 C CG . TYR C 69 ? 1.6899 1.1585 1.7846 -0.1628 0.1093 0.0306 191 TYR C CG 7358 C CD1 . TYR C 69 ? 1.7563 1.2019 1.8232 -0.1582 0.0972 0.0235 191 TYR C CD1 7359 C CD2 . TYR C 69 ? 1.6883 1.1762 1.8271 -0.1764 0.1004 0.0283 191 TYR C CD2 7360 C CE1 . TYR C 69 ? 1.7957 1.2346 1.8738 -0.1679 0.0783 0.0133 191 TYR C CE1 7361 C CE2 . TYR C 69 ? 1.7269 1.2099 1.8772 -0.1866 0.0785 0.0188 191 TYR C CE2 7362 C CZ . TYR C 69 ? 1.7703 1.2272 1.8878 -0.1828 0.0684 0.0108 191 TYR C CZ 7363 O OH . TYR C 69 ? 1.7655 1.2127 1.8892 -0.1944 0.0485 0.0007 191 TYR C OH 7373 N N . ARG C 70 ? 1.5791 1.0338 1.5509 -0.1206 0.1397 0.0431 192 ARG C N 7374 C CA . ARG C 70 ? 1.5893 1.0263 1.5196 -0.1078 0.1349 0.0444 192 ARG C CA 7375 C C . ARG C 70 ? 1.5698 0.9800 1.5024 -0.1094 0.1280 0.0455 192 ARG C C 7376 O O . ARG C 70 ? 1.5782 0.9793 1.5397 -0.1216 0.1316 0.0482 192 ARG C O 7377 C CB . ARG C 70 ? 1.6466 1.0718 1.5471 -0.1033 0.1532 0.0582 192 ARG C CB 7378 C CG . ARG C 70 ? 1.6773 1.1234 1.5654 -0.1010 0.1621 0.0573 192 ARG C CG 7379 C CD . ARG C 70 ? 1.7502 1.1786 1.5979 -0.0967 0.1770 0.0702 192 ARG C CD 7380 N NE . ARG C 70 ? 1.7244 1.1664 1.5615 -0.0987 0.1918 0.0711 192 ARG C NE 7381 C CZ . ARG C 70 ? 1.6493 1.0758 1.4493 -0.0981 0.2074 0.0815 192 ARG C CZ 7382 N NH1 . ARG C 70 ? 1.6064 1.0045 1.3770 -0.0949 0.2086 0.0928 192 ARG C NH1 7383 N NH2 . ARG C 70 ? 1.6224 1.0596 1.4128 -0.1010 0.2222 0.0808 192 ARG C NH2 7397 N N . LEU C 71 ? 1.5142 0.9114 1.4177 -0.0971 0.1188 0.0436 193 LEU C N 7398 C CA . LEU C 71 ? 1.4038 0.7731 1.3065 -0.0966 0.1135 0.0444 193 LEU C CA 7399 C C . LEU C 71 ? 1.3034 0.6577 1.1711 -0.0803 0.1103 0.0496 193 LEU C C 7400 O O . LEU C 71 ? 1.1782 0.5477 1.0240 -0.0701 0.1077 0.0495 193 LEU C O 7401 C CB . LEU C 71 ? 1.3473 0.7204 1.2684 -0.1023 0.0972 0.0285 193 LEU C CB 7402 C CG . LEU C 71 ? 1.3397 0.6933 1.2861 -0.1172 0.0970 0.0282 193 LEU C CG 7403 C CD1 . LEU C 71 ? 1.3313 0.6991 1.3115 -0.1324 0.1055 0.0331 193 LEU C CD1 7404 C CD2 . LEU C 71 ? 1.3288 0.6789 1.2799 -0.1212 0.0798 0.0120 193 LEU C CD2 7416 N N . ILE C 72 ? 1.3789 0.7036 1.2430 -0.0782 0.1103 0.0545 194 ILE C N 7417 C CA . ILE C 72 ? 1.4058 0.7148 1.2425 -0.0620 0.1062 0.0607 194 ILE C CA 7418 C C . ILE C 72 ? 1.3751 0.6592 1.2185 -0.0604 0.1003 0.0556 194 ILE C C 7419 O O . ILE C 72 ? 1.3971 0.6601 1.2554 -0.0715 0.1065 0.0575 194 ILE C O 7420 C CB . ILE C 72 ? 1.4754 0.7647 1.2904 -0.0584 0.1192 0.0806 194 ILE C CB 7421 C CG1 . ILE C 72 ? 1.6271 0.9363 1.4260 -0.0586 0.1258 0.0859 194 ILE C CG1 7422 C CG2 . ILE C 72 ? 1.3854 0.6551 1.1775 -0.0422 0.1130 0.0889 194 ILE C CG2 7423 C CD1 . ILE C 72 ? 1.6991 1.0322 1.4799 -0.0468 0.1133 0.0794 194 ILE C CD1 7435 N N . SER C 73 ? 1.3082 0.5935 1.1408 -0.0470 0.0896 0.0490 195 SER C N 7436 C CA . SER C 73 ? 1.2549 0.5133 1.0909 -0.0436 0.0865 0.0443 195 SER C CA 7437 C C . SER C 73 ? 1.2590 0.4975 1.0765 -0.0266 0.0885 0.0589 195 SER C C 7438 O O . SER C 73 ? 1.2435 0.4978 1.0453 -0.0136 0.0837 0.0649 195 SER C O 7439 C CB . SER C 73 ? 1.1845 0.4553 1.0254 -0.0415 0.0747 0.0251 195 SER C CB 7440 O OG . SER C 73 ? 1.1879 0.4292 1.0296 -0.0382 0.0742 0.0202 195 SER C OG 7446 N N . CYS C 74 ? 1.2654 0.4687 1.0850 -0.0271 0.0950 0.0649 196 CYS C N 7447 C CA . CYS C 74 ? 1.2683 0.4494 1.0721 -0.0113 0.0979 0.0816 196 CYS C CA 7448 C C . CYS C 74 ? 1.2843 0.4351 1.0935 -0.0045 0.0987 0.0780 196 CYS C C 7449 O O . CYS C 74 ? 1.2732 0.4026 1.0939 -0.0172 0.1041 0.0697 196 CYS C O 7450 C CB . CYS C 74 ? 1.2876 0.4490 1.0823 -0.0171 0.1105 0.0996 196 CYS C CB 7451 S SG . CYS C 74 ? 1.9029 1.0917 1.6852 -0.0230 0.1141 0.1072 196 CYS C SG 7456 N N . GLN C 75 ? 1.2714 0.4202 1.0730 0.0152 0.0938 0.0848 197 GLN C N 7457 C CA . GLN C 75 ? 1.3013 0.4174 1.1072 0.0250 0.0979 0.0864 197 GLN C CA 7458 C C . GLN C 75 ? 1.3448 0.4409 1.1378 0.0388 0.1018 0.1106 197 GLN C C 7459 O O . GLN C 75 ? 1.3393 0.4543 1.1190 0.0478 0.0950 0.1234 197 GLN C O 7460 C CB . GLN C 75 ? 1.3618 0.4908 1.1750 0.0379 0.0897 0.0743 197 GLN C CB 7461 C CG . GLN C 75 ? 1.3786 0.5200 1.2009 0.0248 0.0863 0.0499 197 GLN C CG 7462 C CD . GLN C 75 ? 1.3858 0.5281 1.2145 0.0368 0.0829 0.0375 197 GLN C CD 7463 O OE1 . GLN C 75 ? 1.4659 0.5885 1.2977 0.0526 0.0869 0.0455 197 GLN C OE1 7464 N NE2 . GLN C 75 ? 1.3032 0.4674 1.1344 0.0297 0.0764 0.0184 197 GLN C NE2 7473 N N . THR C 76 ? 1.3971 0.4530 1.1919 0.0397 0.1124 0.1172 198 THR C N 7474 C CA . THR C 76 ? 1.4716 0.5032 1.2529 0.0515 0.1172 0.1413 198 THR C CA 7475 C C . THR C 76 ? 1.5166 0.5230 1.3047 0.0702 0.1191 0.1475 198 THR C C 7476 O O . THR C 76 ? 1.5476 0.5349 1.3488 0.0675 0.1255 0.1338 198 THR C O 7477 C CB . THR C 76 ? 1.4458 0.4473 1.2211 0.0358 0.1317 0.1485 198 THR C CB 7478 O OG1 . THR C 76 ? 1.4394 0.4648 1.2130 0.0189 0.1318 0.1434 198 THR C OG1 7479 C CG2 . THR C 76 ? 1.4901 0.4649 1.2471 0.0478 0.1368 0.1742 198 THR C CG2 7487 N N . THR C 77 ? 1.6084 0.6136 1.3870 0.0888 0.1135 0.1688 199 THR C N 7488 C CA . THR C 77 ? 1.7221 0.7033 1.5096 0.1089 0.1155 0.1794 199 THR C CA 7489 C C . THR C 77 ? 1.7654 0.7225 1.5354 0.1187 0.1175 0.2075 199 THR C C 7490 O O . THR C 77 ? 1.7271 0.6897 1.4756 0.1108 0.1158 0.2178 199 THR C O 7491 C CB . THR C 77 ? 1.8124 0.8251 1.6138 0.1270 0.1015 0.1768 199 THR C CB 7492 O OG1 . THR C 77 ? 1.8516 0.8911 1.6386 0.1356 0.0866 0.1937 199 THR C OG1 7493 C CG2 . THR C 77 ? 1.8037 0.8439 1.6167 0.1164 0.0982 0.1495 199 THR C CG2 7501 N N . THR C 78 ? 1.8584 0.7865 1.6364 0.1359 0.1222 0.2202 200 THR C N 7502 C CA . THR C 78 ? 1.9924 0.8927 1.7533 0.1463 0.1242 0.2480 200 THR C CA 7503 C C . THR C 78 ? 2.1782 1.0717 1.9537 0.1732 0.1179 0.2644 200 THR C C 7504 O O . THR C 78 ? 2.2576 1.1235 2.0510 0.1805 0.1296 0.2622 200 THR C O 7505 C CB . THR C 78 ? 1.9740 0.8276 1.7276 0.1336 0.1447 0.2494 200 THR C CB 7506 O OG1 . THR C 78 ? 2.0190 0.8629 1.7987 0.1353 0.1524 0.2360 200 THR C OG1 7507 C CG2 . THR C 78 ? 1.8737 0.7333 1.6196 0.1068 0.1517 0.2336 200 THR C CG2 7515 N N . THR C 79 ? 2.2568 1.1784 2.0264 0.1870 0.0986 0.2804 201 THR C N 7516 C CA . THR C 79 ? 2.3439 1.2609 2.1288 0.2131 0.0900 0.3008 201 THR C CA 7517 C C . THR C 79 ? 2.3040 1.1840 2.0658 0.2199 0.0927 0.3299 201 THR C C 7518 O O . THR C 79 ? 2.2144 1.0916 1.9429 0.2086 0.0898 0.3394 201 THR C O 7519 C CB . THR C 79 ? 2.4631 1.4287 2.2549 0.2248 0.0656 0.3057 201 THR C CB 7520 O OG1 . THR C 79 ? 2.5274 1.5051 2.2842 0.2184 0.0522 0.3209 201 THR C OG1 7521 C CG2 . THR C 79 ? 2.4524 1.4548 2.2618 0.2160 0.0634 0.2765 201 THR C CG2 7529 N N . GLU C 80 ? 2.3936 1.2517 2.1755 0.2362 0.0974 0.3416 202 GLU C N 7530 C CA . GLU C 80 ? 2.5423 1.3745 2.3091 0.2389 0.0989 0.3637 202 GLU C CA 7531 C C . GLU C 80 ? 2.5998 1.4416 2.3581 0.2594 0.0766 0.3945 202 GLU C C 7532 O O . GLU C 80 ? 2.5891 1.4526 2.3744 0.2789 0.0633 0.4002 202 GLU C O 7533 C CB . GLU C 80 ? 2.6531 1.4631 2.4463 0.2423 0.1139 0.3577 202 GLU C CB 7534 C CG . GLU C 80 ? 2.7308 1.5272 2.5266 0.2194 0.1347 0.3298 202 GLU C CG 7535 C CD . GLU C 80 ? 2.7586 1.5780 2.5685 0.2111 0.1356 0.3031 202 GLU C CD 7536 O OE1 . GLU C 80 ? 2.7694 1.6135 2.5941 0.2261 0.1232 0.3043 202 GLU C OE1 7537 O OE2 . GLU C 80 ? 2.7639 1.5774 2.5704 0.1892 0.1479 0.2810 202 GLU C OE2 7544 N N . ALA C 81 ? 2.6805 1.5066 2.4015 0.2538 0.0721 0.4141 203 ALA C N 7545 C CA . ALA C 81 ? 2.7666 1.5995 2.4717 0.2695 0.0487 0.4446 203 ALA C CA 7546 C C . ALA C 81 ? 2.8558 1.6566 2.5339 0.2656 0.0521 0.4648 203 ALA C C 7547 O O . ALA C 81 ? 2.9607 1.7357 2.6474 0.2593 0.0712 0.4577 203 ALA C O 7548 C CB . ALA C 81 ? 2.7523 1.6075 2.4250 0.2640 0.0331 0.4470 203 ALA C CB 7554 N N . VAL C 82 ? 2.7755 1.5773 2.4191 0.2685 0.0332 0.4895 204 VAL C N 7555 C CA . VAL C 82 ? 2.6707 1.4419 2.2848 0.2646 0.0349 0.5100 204 VAL C CA 7556 C C . VAL C 82 ? 2.6941 1.4590 2.2530 0.2458 0.0334 0.5154 204 VAL C C 7557 O O . VAL C 82 ? 2.7320 1.4683 2.2647 0.2329 0.0472 0.5197 204 VAL C O 7558 C CB . VAL C 82 ? 2.5231 1.2953 2.1481 0.2875 0.0120 0.5401 204 VAL C CB 7559 C CG1 . VAL C 82 ? 2.4657 1.2020 2.0630 0.2838 0.0162 0.5599 204 VAL C CG1 7560 C CG2 . VAL C 82 ? 2.4844 1.2661 2.1665 0.3070 0.0132 0.5341 204 VAL C CG2 7570 N N . ASP C 83 ? 2.6523 1.4434 2.1929 0.2437 0.0178 0.5143 205 ASP C N 7571 C CA . ASP C 83 ? 2.6127 1.3991 2.0991 0.2250 0.0165 0.5178 205 ASP C CA 7572 C C . ASP C 83 ? 2.5085 1.3184 1.9882 0.2132 0.0186 0.4956 205 ASP C C 7573 O O . ASP C 83 ? 2.4753 1.3115 1.9935 0.2205 0.0168 0.4786 205 ASP C O 7574 C CB . ASP C 83 ? 2.6217 1.4123 2.0763 0.2332 -0.0117 0.5475 205 ASP C CB 7575 C CG . ASP C 83 ? 2.5566 1.3832 2.0321 0.2515 -0.0400 0.5539 205 ASP C CG 7576 O OD1 . ASP C 83 ? 2.4968 1.3447 2.0053 0.2563 -0.0360 0.5336 205 ASP C OD1 7577 O OD2 . ASP C 83 ? 2.5670 1.4017 2.0266 0.2605 -0.0666 0.5791 205 ASP C OD2 7582 N N . ALA C 84 ? 2.4040 1.2090 1.8379 0.1935 0.0227 0.4940 206 ALA C N 7583 C CA . ALA C 84 ? 2.1777 1.0149 1.6092 0.1778 0.0248 0.4702 206 ALA C CA 7584 C C . ALA C 84 ? 2.1336 1.0158 1.5620 0.1837 -0.0050 0.4733 206 ALA C C 7585 O O . ALA C 84 ? 2.1082 1.0201 1.5258 0.1691 -0.0069 0.4571 206 ALA C O 7586 C CB . ALA C 84 ? 2.0900 0.9040 1.4776 0.1538 0.0439 0.4667 206 ALA C CB 7592 N N . ALA C 85 ? 2.1371 1.0239 1.5762 0.2050 -0.0280 0.4948 207 ALA C N 7593 C CA . ALA C 85 ? 2.1406 1.0724 1.5859 0.2124 -0.0580 0.4981 207 ALA C CA 7594 C C . ALA C 85 ? 2.2004 1.1683 1.7106 0.2275 -0.0618 0.4820 207 ALA C C 7595 O O . ALA C 85 ? 2.0958 1.1047 1.6246 0.2209 -0.0646 0.4588 207 ALA C O 7596 C CB . ALA C 85 ? 2.1644 1.0812 1.5818 0.2254 -0.0836 0.5335 207 ALA C CB 7602 N N . THR C 86 ? 2.4203 1.3698 1.9638 0.2478 -0.0600 0.4941 208 THR C N 7603 C CA . THR C 86 ? 2.5865 1.5623 2.1914 0.2633 -0.0600 0.4803 208 THR C CA 7604 C C . THR C 86 ? 2.6069 1.5966 2.2310 0.2479 -0.0384 0.4443 208 THR C C 7605 O O . THR C 86 ? 2.6270 1.6548 2.2864 0.2513 -0.0433 0.4254 208 THR C O 7606 C CB . THR C 86 ? 2.7181 1.6592 2.3520 0.2839 -0.0509 0.4961 208 THR C CB 7607 O OG1 . THR C 86 ? 2.8112 1.7399 2.4297 0.2997 -0.0729 0.5316 208 THR C OG1 7608 C CG2 . THR C 86 ? 2.7009 1.6664 2.3971 0.2992 -0.0479 0.4807 208 THR C CG2 7616 N N . ALA C 87 ? 2.5635 1.5214 2.1647 0.2308 -0.0147 0.4354 209 ALA C N 7617 C CA . ALA C 87 ? 2.4077 1.3775 2.0228 0.2135 0.0040 0.4032 209 ALA C CA 7618 C C . ALA C 87 ? 2.2145 1.2306 1.8210 0.2021 -0.0087 0.3879 209 ALA C C 7619 O O . ALA C 87 ? 2.1736 1.2219 1.8115 0.2012 -0.0086 0.3648 209 ALA C O 7620 C CB . ALA C 87 ? 2.4527 1.3832 2.0410 0.1955 0.0281 0.4005 209 ALA C CB 7626 N N . ALA C 88 ? 2.1110 1.1273 1.6720 0.1928 -0.0185 0.4010 210 ALA C N 7627 C CA . ALA C 88 ? 2.0432 1.0993 1.5897 0.1812 -0.0300 0.3888 210 ALA C CA 7628 C C . ALA C 88 ? 2.0573 1.1575 1.6385 0.1960 -0.0517 0.3844 210 ALA C C 7629 O O . ALA C 88 ? 1.9962 1.1335 1.5875 0.1883 -0.0546 0.3633 210 ALA C O 7630 C CB . ALA C 88 ? 2.0627 1.1058 1.5514 0.1718 -0.0394 0.4085 210 ALA C CB 7636 N N . LYS C 89 ? 2.1632 1.2590 1.7646 0.2174 -0.0659 0.4046 211 LYS C N 7637 C CA . LYS C 89 ? 2.2014 1.3376 1.8431 0.2333 -0.0849 0.4020 211 LYS C CA 7638 C C . LYS C 89 ? 2.1724 1.3222 1.8620 0.2357 -0.0690 0.3741 211 LYS C C 7639 O O . LYS C 89 ? 2.1287 1.3152 1.8312 0.2294 -0.0720 0.3524 211 LYS C O 7640 C CB . LYS C 89 ? 2.2764 1.4019 1.9343 0.2568 -0.1017 0.4320 211 LYS C CB 7641 C CG . LYS C 89 ? 2.3186 1.4540 1.9423 0.2584 -0.1309 0.4581 211 LYS C CG 7642 C CD . LYS C 89 ? 2.3411 1.4389 1.9006 0.2422 -0.1255 0.4715 211 LYS C CD 7643 C CE . LYS C 89 ? 2.3442 1.4422 1.8660 0.2451 -0.1554 0.5015 211 LYS C CE 7644 N NZ . LYS C 89 ? 2.3466 1.4298 1.8915 0.2694 -0.1701 0.5309 211 LYS C NZ 7658 N N . VAL C 90 ? 2.2082 1.3253 1.9208 0.2443 -0.0515 0.3747 212 VAL C N 7659 C CA . VAL C 90 ? 2.2074 1.3295 1.9622 0.2470 -0.0357 0.3499 212 VAL C CA 7660 C C . VAL C 90 ? 2.2861 1.4243 2.0323 0.2249 -0.0241 0.3197 212 VAL C C 7661 O O . VAL C 90 ? 2.3126 1.4735 2.0879 0.2248 -0.0206 0.2970 212 VAL C O 7662 C CB . VAL C 90 ? 2.1461 1.2210 1.9147 0.2536 -0.0144 0.3541 212 VAL C CB 7663 C CG1 . VAL C 90 ? 2.1018 1.1784 1.9086 0.2540 0.0023 0.3274 212 VAL C CG1 7664 C CG2 . VAL C 90 ? 2.1348 1.1918 1.9150 0.2770 -0.0245 0.3850 212 VAL C CG2 7674 N N . PHE C 91 ? 2.3092 1.4345 2.0159 0.2065 -0.0177 0.3202 213 PHE C N 7675 C CA . PHE C 91 ? 2.2446 1.3840 1.9437 0.1855 -0.0065 0.2944 213 PHE C CA 7676 C C . PHE C 91 ? 2.2312 1.4164 1.9226 0.1804 -0.0226 0.2854 213 PHE C C 7677 O O . PHE C 91 ? 2.1866 1.3924 1.8830 0.1676 -0.0162 0.2616 213 PHE C O 7678 C CB . PHE C 91 ? 2.2093 1.3178 1.8734 0.1679 0.0086 0.2989 213 PHE C CB 7679 C CG . PHE C 91 ? 2.1742 1.2410 1.8493 0.1665 0.0292 0.2981 213 PHE C CG 7680 C CD1 . PHE C 91 ? 2.1046 1.1693 1.8150 0.1684 0.0396 0.2787 213 PHE C CD1 7681 C CD2 . PHE C 91 ? 2.2219 1.2491 1.8693 0.1623 0.0389 0.3163 213 PHE C CD2 7682 C CE1 . PHE C 91 ? 2.1167 1.1413 1.8346 0.1653 0.0586 0.2774 213 PHE C CE1 7683 C CE2 . PHE C 91 ? 2.2308 1.2189 1.8878 0.1599 0.0585 0.3151 213 PHE C CE2 7684 C CZ . PHE C 91 ? 2.1805 1.1676 1.8729 0.1611 0.0680 0.2956 213 PHE C CZ 7694 N N . LYS C 92 ? 2.2752 1.4750 1.9536 0.1900 -0.0439 0.3051 214 LYS C N 7695 C CA . LYS C 92 ? 2.2715 1.5150 1.9456 0.1870 -0.0611 0.2977 214 LYS C CA 7696 C C . LYS C 92 ? 2.2516 1.5246 1.9719 0.2039 -0.0715 0.2904 214 LYS C C 7697 O O . LYS C 92 ? 2.1783 1.4878 1.9083 0.1999 -0.0778 0.2732 214 LYS C O 7698 C CB . LYS C 92 ? 2.3224 1.5673 1.9560 0.1860 -0.0803 0.3220 214 LYS C CB 7699 C CG . LYS C 92 ? 2.3397 1.5668 1.9226 0.1651 -0.0703 0.3231 214 LYS C CG 7700 C CD . LYS C 92 ? 2.3602 1.5875 1.8984 0.1627 -0.0902 0.3458 214 LYS C CD 7701 C CE . LYS C 92 ? 2.3387 1.5447 1.8245 0.1412 -0.0769 0.3462 214 LYS C CE 7702 N NZ . LYS C 92 ? 2.3487 1.5483 1.7840 0.1373 -0.0955 0.3687 214 LYS C NZ 7716 N N . GLN C 93 ? 2.3159 1.5713 2.0650 0.2226 -0.0716 0.3036 215 GLN C N 7717 C CA . GLN C 93 ? 2.3104 1.5885 2.1080 0.2399 -0.0774 0.2975 215 GLN C CA 7718 C C . GLN C 93 ? 2.2997 1.5680 2.1247 0.2367 -0.0546 0.2707 215 GLN C C 7719 O O . GLN C 93 ? 2.3090 1.5811 2.1744 0.2510 -0.0512 0.2649 215 GLN C O 7720 C CB . GLN C 93 ? 2.3232 1.5864 2.1417 0.2625 -0.0872 0.3256 215 GLN C CB 7721 C CG . GLN C 93 ? 2.2698 1.5630 2.1391 0.2818 -0.0978 0.3250 215 GLN C CG 7722 C CD . GLN C 93 ? 2.2147 1.5566 2.0817 0.2787 -0.1208 0.3226 215 GLN C CD 7723 O OE1 . GLN C 93 ? 2.2261 1.5762 2.0501 0.2650 -0.1330 0.3286 215 GLN C OE1 7724 N NE2 . GLN C 93 ? 2.1628 1.5355 2.0754 0.2905 -0.1255 0.3132 215 GLN C NE2 7733 N N . TYR C 94 ? 2.2599 1.5139 2.0624 0.2172 -0.0389 0.2548 216 TYR C N 7734 C CA . TYR C 94 ? 2.1761 1.4224 1.9975 0.2096 -0.0200 0.2279 216 TYR C CA 7735 C C . TYR C 94 ? 2.0886 1.3660 1.8980 0.1924 -0.0211 0.2050 216 TYR C C 7736 O O . TYR C 94 ? 2.0475 1.3418 1.8786 0.1916 -0.0173 0.1829 216 TYR C O 7737 C CB . TYR C 94 ? 2.1801 1.3816 1.9900 0.2008 -0.0005 0.2287 216 TYR C CB 7738 C CG . TYR C 94 ? 2.1364 1.3282 1.9600 0.1891 0.0171 0.2013 216 TYR C CG 7739 C CD1 . TYR C 94 ? 2.1277 1.2972 1.9796 0.1984 0.0291 0.1943 216 TYR C CD1 7740 C CD2 . TYR C 94 ? 2.1067 1.3104 1.9144 0.1682 0.0217 0.1829 216 TYR C CD2 7741 C CE1 . TYR C 94 ? 2.1036 1.2610 1.9630 0.1858 0.0440 0.1693 216 TYR C CE1 7742 C CE2 . TYR C 94 ? 2.0784 1.2731 1.8975 0.1567 0.0350 0.1590 216 TYR C CE2 7743 C CZ . TYR C 94 ? 2.0779 1.2487 1.9207 0.1648 0.0455 0.1521 216 TYR C CZ 7744 O OH . TYR C 94 ? 2.0571 1.2160 1.9064 0.1515 0.0575 0.1284 216 TYR C OH 7754 N N . ALA C 95 ? 2.0605 1.3429 1.8340 0.1788 -0.0250 0.2107 217 ALA C N 7755 C CA . ALA C 95 ? 2.0104 1.3249 1.7705 0.1645 -0.0283 0.1934 217 ALA C CA 7756 C C . ALA C 95 ? 2.0900 1.4433 1.8648 0.1751 -0.0460 0.1918 217 ALA C C 7757 O O . ALA C 95 ? 2.0832 1.4662 1.8555 0.1666 -0.0488 0.1744 217 ALA C O 7758 C CB . ALA C 95 ? 1.9469 1.2564 1.6650 0.1502 -0.0287 0.2039 217 ALA C CB 7764 N N . ASN C 96 ? 2.1695 1.5224 1.9610 0.1936 -0.0581 0.2108 218 ASN C N 7765 C CA . ASN C 96 ? 2.1715 1.5603 1.9881 0.2060 -0.0741 0.2100 218 ASN C CA 7766 C C . ASN C 96 ? 2.1676 1.5620 2.0249 0.2129 -0.0632 0.1882 218 ASN C C 7767 O O . ASN C 96 ? 2.2105 1.6354 2.0777 0.2095 -0.0659 0.1696 218 ASN C O 7768 C CB . ASN C 96 ? 2.1718 1.5575 1.9977 0.2242 -0.0910 0.2395 218 ASN C CB 7769 C CG . ASN C 96 ? 2.1446 1.5459 1.9343 0.2187 -0.1119 0.2577 218 ASN C CG 7770 O OD1 . ASN C 96 ? 2.1098 1.5127 1.8607 0.2006 -0.1094 0.2515 218 ASN C OD1 7771 N ND2 . ASN C 96 ? 2.1643 1.5761 1.9665 0.2341 -0.1327 0.2808 218 ASN C ND2 7778 N N . ASP C 97 ? 2.0905 1.4524 1.9688 0.2219 -0.0495 0.1903 219 ASP C N 7779 C CA . ASP C 97 ? 1.9710 1.3294 1.8842 0.2278 -0.0361 0.1703 219 ASP C CA 7780 C C . ASP C 97 ? 1.8649 1.2216 1.7663 0.2088 -0.0223 0.1413 219 ASP C C 7781 O O . ASP C 97 ? 1.8486 1.1955 1.7703 0.2095 -0.0093 0.1225 219 ASP C O 7782 C CB . ASP C 97 ? 1.9880 1.3063 1.9218 0.2408 -0.0231 0.1807 219 ASP C CB 7783 C CG . ASP C 97 ? 2.0124 1.3348 1.9686 0.2631 -0.0365 0.2082 219 ASP C CG 7784 O OD1 . ASP C 97 ? 2.0324 1.3781 1.9738 0.2647 -0.0574 0.2259 219 ASP C OD1 7785 O OD2 . ASP C 97 ? 2.0175 1.3189 2.0058 0.2787 -0.0261 0.2127 219 ASP C OD2 7790 N N . ASN C 98 ? 1.7907 1.1553 1.6587 0.1916 -0.0250 0.1386 220 ASN C N 7791 C CA . ASN C 98 ? 1.7089 1.0789 1.5665 0.1736 -0.0156 0.1132 220 ASN C CA 7792 C C . ASN C 98 ? 1.6543 1.0560 1.4860 0.1623 -0.0262 0.1116 220 ASN C C 7793 O O . ASN C 98 ? 1.6112 1.0253 1.4286 0.1666 -0.0398 0.1302 220 ASN C O 7794 C CB . ASN C 98 ? 1.7469 1.0802 1.5927 0.1611 -0.0001 0.1102 220 ASN C CB 7795 C CG . ASN C 98 ? 1.8128 1.1138 1.6816 0.1674 0.0137 0.1034 220 ASN C CG 7796 O OD1 . ASN C 98 ? 1.8504 1.1275 1.7292 0.1804 0.0164 0.1205 220 ASN C OD1 7797 N ND2 . ASN C 98 ? 1.8284 1.1262 1.7037 0.1579 0.0231 0.0787 220 ASN C ND2 7804 N N . GLY C 99 ? 1.6865 1.0996 1.5107 0.1476 -0.0201 0.0897 221 GLY C N 7805 C CA . GLY C 99 ? 1.7059 1.1467 1.5059 0.1363 -0.0268 0.0863 221 GLY C CA 7806 C C . GLY C 99 ? 1.7023 1.1272 1.4732 0.1223 -0.0209 0.0954 221 GLY C C 7807 O O . GLY C 99 ? 1.5979 1.0335 1.3541 0.1077 -0.0162 0.0841 221 GLY C O 7811 N N . ILE C 100 ? 1.7921 1.1905 1.5556 0.1271 -0.0202 0.1165 222 ILE C N 7812 C CA . ILE C 100 ? 1.8137 1.1910 1.5517 0.1143 -0.0115 0.1259 222 ILE C CA 7813 C C . ILE C 100 ? 1.8784 1.2625 1.5838 0.1130 -0.0213 0.1450 222 ILE C C 7814 O O . ILE C 100 ? 1.9011 1.2936 1.6052 0.1254 -0.0361 0.1596 222 ILE C O 7815 C CB . ILE C 100 ? 1.7757 1.1131 1.5212 0.1179 -0.0016 0.1367 222 ILE C CB 7816 C CG1 . ILE C 100 ? 1.6112 0.9380 1.3878 0.1221 0.0059 0.1202 222 ILE C CG1 7817 C CG2 . ILE C 100 ? 1.8416 1.1579 1.5670 0.1015 0.0113 0.1402 222 ILE C CG2 7818 C CD1 . ILE C 100 ? 1.5328 0.8187 1.3172 0.1259 0.0165 0.1296 222 ILE C CD1 7830 N N . ASP C 101 ? 1.9175 1.2969 1.5967 0.0971 -0.0125 0.1450 223 ASP C N 7831 C CA . ASP C 101 ? 1.9976 1.3763 1.6389 0.0923 -0.0180 0.1621 223 ASP C CA 7832 C C . ASP C 101 ? 1.9881 1.3509 1.6085 0.0746 -0.0005 0.1606 223 ASP C C 7833 O O . ASP C 101 ? 2.0015 1.3479 1.6388 0.0687 0.0135 0.1531 223 ASP C O 7834 C CB . ASP C 101 ? 2.0348 1.4495 1.6657 0.0924 -0.0319 0.1567 223 ASP C CB 7835 C CG . ASP C 101 ? 2.0212 1.4574 1.6529 0.0793 -0.0229 0.1339 223 ASP C CG 7836 O OD1 . ASP C 101 ? 2.0231 1.4583 1.6253 0.0659 -0.0155 0.1353 223 ASP C OD1 7837 O OD2 . ASP C 101 ? 1.9993 1.4514 1.6601 0.0825 -0.0223 0.1151 223 ASP C OD2 7842 N N . GLY C 102 ? 1.9489 1.3156 1.5331 0.0653 -0.0007 0.1679 224 GLY C N 7843 C CA . GLY C 102 ? 1.8827 1.2360 1.4484 0.0484 0.0180 0.1662 224 GLY C CA 7844 C C . GLY C 102 ? 1.8619 1.1787 1.3967 0.0450 0.0249 0.1885 224 GLY C C 7845 O O . GLY C 102 ? 1.8843 1.1904 1.3992 0.0539 0.0117 0.2070 224 GLY C O 7849 N N . GLU C 103 ? 1.8128 1.1100 1.3445 0.0319 0.0457 0.1872 225 GLU C N 7850 C CA . GLU C 103 ? 1.7949 1.0547 1.2949 0.0261 0.0566 0.2068 225 GLU C CA 7851 C C . GLU C 103 ? 1.7324 0.9626 1.2486 0.0347 0.0584 0.2173 225 GLU C C 7852 O O . GLU C 103 ? 1.6209 0.8551 1.1757 0.0386 0.0602 0.2054 225 GLU C O 7853 C CB . GLU C 103 ? 1.7949 1.0464 1.2881 0.0080 0.0807 0.2008 225 GLU C CB 7854 C CG . GLU C 103 ? 1.7391 1.0216 1.2282 -0.0005 0.0830 0.1856 225 GLU C CG 7855 C CD . GLU C 103 ? 1.7333 1.0007 1.1972 -0.0172 0.1059 0.1884 225 GLU C CD 7856 O OE1 . GLU C 103 ? 1.7805 1.0138 1.2104 -0.0214 0.1146 0.2060 225 GLU C OE1 7857 O OE2 . GLU C 103 ? 1.6864 0.9744 1.1645 -0.0259 0.1164 0.1735 225 GLU C OE2 7864 N N . TRP C 104 ? 1.8076 1.0054 1.2913 0.0368 0.0585 0.2396 226 TRP C N 7865 C CA . TRP C 104 ? 1.8782 1.0443 1.3724 0.0459 0.0602 0.2523 226 TRP C CA 7866 C C . TRP C 104 ? 1.9142 1.0391 1.3827 0.0344 0.0809 0.2653 226 TRP C C 7867 O O . TRP C 104 ? 1.9730 1.0790 1.3963 0.0302 0.0814 0.2815 226 TRP C O 7868 C CB . TRP C 104 ? 1.9654 1.1292 1.4482 0.0635 0.0377 0.2703 226 TRP C CB 7869 C CG . TRP C 104 ? 2.0059 1.2087 1.5168 0.0756 0.0184 0.2590 226 TRP C CG 7870 C CD1 . TRP C 104 ? 2.0199 1.2592 1.5274 0.0717 0.0095 0.2465 226 TRP C CD1 7871 C CD2 . TRP C 104 ? 2.0384 1.2459 1.5851 0.0934 0.0077 0.2589 226 TRP C CD2 7872 N NE1 . TRP C 104 ? 2.0200 1.2872 1.5596 0.0856 -0.0064 0.2385 226 TRP C NE1 7873 C CE2 . TRP C 104 ? 2.0288 1.2771 1.5935 0.0993 -0.0073 0.2459 226 TRP C CE2 7874 C CE3 . TRP C 104 ? 2.0762 1.2557 1.6416 0.1047 0.0111 0.2684 226 TRP C CE3 7875 C CZ2 . TRP C 104 ? 2.0200 1.2818 1.6217 0.1160 -0.0180 0.2421 226 TRP C CZ2 7876 C CZ3 . TRP C 104 ? 2.0741 1.2664 1.6757 0.1216 0.0006 0.2648 226 TRP C CZ3 7877 C CH2 . TRP C 104 ? 2.0425 1.2756 1.6624 0.1271 -0.0134 0.2517 226 TRP C CH2 7888 N N . THR C 105 ? 1.8658 0.9754 1.3621 0.0284 0.0980 0.2578 227 THR C N 7889 C CA . THR C 105 ? 1.8442 0.9140 1.3231 0.0175 0.1196 0.2689 227 THR C CA 7890 C C . THR C 105 ? 1.8976 0.9331 1.3826 0.0279 0.1198 0.2823 227 THR C C 7891 O O . THR C 105 ? 1.8929 0.9362 1.4123 0.0381 0.1123 0.2746 227 THR C O 7892 C CB . THR C 105 ? 1.7400 0.8154 1.2474 0.0008 0.1409 0.2520 227 THR C CB 7893 O OG1 . THR C 105 ? 1.7023 0.8067 1.2036 -0.0087 0.1433 0.2410 227 THR C OG1 7894 C CG2 . THR C 105 ? 1.7423 0.7762 1.2364 -0.0105 0.1645 0.2634 227 THR C CG2 7902 N N . TYR C 106 ? 1.9337 0.9286 1.3835 0.0250 0.1300 0.3022 228 TYR C N 7903 C CA . TYR C 106 ? 1.9089 0.8669 1.3596 0.0349 0.1316 0.3171 228 TYR C CA 7904 C C . TYR C 106 ? 1.9074 0.8230 1.3447 0.0214 0.1578 0.3245 228 TYR C C 7905 O O . TYR C 106 ? 1.9667 0.8603 1.3621 0.0125 0.1676 0.3368 228 TYR C O 7906 C CB . TYR C 106 ? 1.9098 0.8562 1.3270 0.0507 0.1113 0.3401 228 TYR C CB 7907 C CG . TYR C 106 ? 1.9223 0.8255 1.3337 0.0611 0.1144 0.3594 228 TYR C CG 7908 C CD1 . TYR C 106 ? 1.9184 0.8226 1.3665 0.0768 0.1070 0.3576 228 TYR C CD1 7909 C CD2 . TYR C 106 ? 1.9331 0.7916 1.3007 0.0551 0.1264 0.3793 228 TYR C CD2 7910 C CE1 . TYR C 106 ? 1.9361 0.7992 1.3794 0.0869 0.1113 0.3755 228 TYR C CE1 7911 C CE2 . TYR C 106 ? 1.9543 0.7714 1.3154 0.0649 0.1298 0.3975 228 TYR C CE2 7912 C CZ . TYR C 106 ? 1.9347 0.7548 1.3346 0.0811 0.1222 0.3956 228 TYR C CZ 7913 O OH . TYR C 106 ? 1.9529 0.7385 1.3521 0.0909 0.1256 0.4117 228 TYR C OH 7923 N N . ASP C 107 ? 1.8934 0.7960 1.3655 0.0189 0.1699 0.3165 229 ASP C N 7924 C CA . ASP C 107 ? 1.9815 0.8414 1.4456 0.0077 0.1943 0.3243 229 ASP C CA 7925 C C . ASP C 107 ? 2.0014 0.8230 1.4553 0.0217 0.1915 0.3424 229 ASP C C 7926 O O . ASP C 107 ? 1.9727 0.7954 1.4577 0.0318 0.1855 0.3369 229 ASP C O 7927 C CB . ASP C 107 ? 2.0862 0.9551 1.5957 -0.0068 0.2102 0.3039 229 ASP C CB 7928 C CG . ASP C 107 ? 2.2494 1.0887 1.7655 -0.0169 0.2304 0.3079 229 ASP C CG 7929 O OD1 . ASP C 107 ? 2.3657 1.1856 1.8497 -0.0194 0.2381 0.3223 229 ASP C OD1 7930 O OD2 . ASP C 107 ? 2.2482 1.0909 1.8040 -0.0232 0.2363 0.2945 229 ASP C OD2 7935 N N . ASP C 108 ? 2.0448 0.8447 1.4616 0.0215 0.1939 0.3607 230 ASP C N 7936 C CA . ASP C 108 ? 2.0806 0.8555 1.4909 0.0349 0.1880 0.3773 230 ASP C CA 7937 C C . ASP C 108 ? 2.1170 0.8790 1.5631 0.0292 0.2043 0.3681 230 ASP C C 7938 O O . ASP C 108 ? 2.1777 0.9287 1.6401 0.0425 0.1982 0.3727 230 ASP C O 7939 C CB . ASP C 108 ? 2.1119 0.8650 1.4729 0.0327 0.1886 0.3976 230 ASP C CB 7940 C CG . ASP C 108 ? 2.1359 0.8648 1.4875 0.0486 0.1784 0.4176 230 ASP C CG 7941 O OD1 . ASP C 108 ? 2.1022 0.8104 1.4682 0.0455 0.1930 0.4175 230 ASP C OD1 7942 O OD2 . ASP C 108 ? 2.2108 0.9422 1.5417 0.0641 0.1554 0.4339 230 ASP C OD2 7947 N N . ALA C 109 ? 2.1036 0.8680 1.5630 0.0092 0.2250 0.3550 231 ALA C N 7948 C CA . ALA C 109 ? 2.1354 0.8894 1.6277 0.0005 0.2404 0.3453 231 ALA C CA 7949 C C . ALA C 109 ? 2.2047 0.9670 1.7350 0.0094 0.2316 0.3337 231 ALA C C 7950 O O . ALA C 109 ? 2.2569 1.0004 1.7991 0.0148 0.2342 0.3363 231 ALA C O 7951 C CB . ALA C 109 ? 2.0618 0.8286 1.5724 -0.0220 0.2598 0.3300 231 ALA C CB 7957 N N . THR C 110 ? 2.1880 0.9771 1.7357 0.0105 0.2222 0.3202 232 THR C N 7958 C CA . THR C 110 ? 2.1249 0.9230 1.7074 0.0174 0.2145 0.3065 232 THR C CA 7959 C C . THR C 110 ? 2.0623 0.8652 1.6359 0.0404 0.1942 0.3153 232 THR C C 7960 O O . THR C 110 ? 1.9814 0.7938 1.5816 0.0482 0.1870 0.3038 232 THR C O 7961 C CB . THR C 110 ? 2.0638 0.8890 1.6772 0.0024 0.2175 0.2829 232 THR C CB 7962 O OG1 . THR C 110 ? 2.0360 0.8821 1.6338 0.0034 0.2097 0.2823 232 THR C OG1 7963 C CG2 . THR C 110 ? 2.0512 0.8759 1.6813 -0.0202 0.2360 0.2742 232 THR C CG2 7971 N N . LYS C 111 ? 2.0905 0.8876 1.6271 0.0506 0.1846 0.3354 233 LYS C N 7972 C CA . LYS C 111 ? 2.0721 0.8759 1.6004 0.0728 0.1632 0.3466 233 LYS C CA 7973 C C . LYS C 111 ? 1.9439 0.7937 1.5015 0.0736 0.1508 0.3248 233 LYS C C 7974 O O . LYS C 111 ? 1.9791 0.8439 1.5568 0.0899 0.1365 0.3225 233 LYS C O 7975 C CB . LYS C 111 ? 2.1334 0.9199 1.6784 0.0894 0.1594 0.3555 233 LYS C CB 7976 C CG . LYS C 111 ? 2.2373 0.9938 1.7634 0.0876 0.1684 0.3724 233 LYS C CG 7977 C CD . LYS C 111 ? 2.3250 1.0645 1.8734 0.1019 0.1679 0.3777 233 LYS C CD 7978 C CE . LYS C 111 ? 2.4303 1.1383 1.9572 0.1015 0.1758 0.3957 233 LYS C CE 7979 N NZ . LYS C 111 ? 2.4673 1.1581 2.0155 0.1162 0.1755 0.4016 233 LYS C NZ 7993 N N . THR C 112 ? 1.8106 0.6852 1.3730 0.0558 0.1568 0.3084 234 THR C N 7994 C CA . THR C 112 ? 1.7116 0.6313 1.3036 0.0535 0.1469 0.2852 234 THR C CA 7995 C C . THR C 112 ? 1.6975 0.6538 1.2714 0.0557 0.1313 0.2855 234 THR C C 7996 O O . THR C 112 ? 1.6878 0.6447 1.2358 0.0440 0.1380 0.2898 234 THR C O 7997 C CB . THR C 112 ? 1.6583 0.5848 1.2741 0.0320 0.1626 0.2649 234 THR C CB 7998 O OG1 . THR C 112 ? 1.6448 0.5417 1.2816 0.0289 0.1743 0.2606 234 THR C OG1 7999 C CG2 . THR C 112 ? 1.5595 0.5325 1.1997 0.0288 0.1514 0.2426 234 THR C CG2 8007 N N . PHE C 113 ? 1.6916 0.6770 1.2794 0.0702 0.1121 0.2806 235 PHE C N 8008 C CA . PHE C 113 ? 1.6642 0.6891 1.2412 0.0709 0.0969 0.2762 235 PHE C CA 8009 C C . PHE C 113 ? 1.6352 0.6939 1.2413 0.0599 0.0994 0.2491 235 PHE C C 8010 O O . PHE C 113 ? 1.6874 0.7443 1.3251 0.0589 0.1040 0.2349 235 PHE C O 8011 C CB . PHE C 113 ? 1.6581 0.6984 1.2376 0.0920 0.0744 0.2854 235 PHE C CB 8012 C CG . PHE C 113 ? 1.7537 0.7638 1.3052 0.1042 0.0679 0.3139 235 PHE C CG 8013 C CD1 . PHE C 113 ? 1.8352 0.8119 1.3991 0.1156 0.0731 0.3248 235 PHE C CD1 8014 C CD2 . PHE C 113 ? 1.8015 0.8146 1.3125 0.1037 0.0566 0.3302 235 PHE C CD2 8015 C CE1 . PHE C 113 ? 1.9372 0.8853 1.4756 0.1276 0.0664 0.3524 235 PHE C CE1 8016 C CE2 . PHE C 113 ? 1.9007 0.8847 1.3836 0.1143 0.0485 0.3576 235 PHE C CE2 8017 C CZ . PHE C 113 ? 1.9693 0.9213 1.4669 0.1269 0.0531 0.3692 235 PHE C CZ 8027 N N . THR C 114 ? 1.5721 0.6593 1.1655 0.0512 0.0965 0.2423 236 THR C N 8028 C CA . THR C 114 ? 1.5591 0.6784 1.1783 0.0408 0.0985 0.2181 236 THR C CA 8029 C C . THR C 114 ? 1.6569 0.8159 1.2682 0.0439 0.0837 0.2111 236 THR C C 8030 O O . THR C 114 ? 1.7239 0.8901 1.3081 0.0359 0.0863 0.2155 236 THR C O 8031 C CB . THR C 114 ? 1.5323 0.6442 1.1520 0.0203 0.1183 0.2127 236 THR C CB 8032 O OG1 . THR C 114 ? 1.6357 0.7122 1.2663 0.0154 0.1326 0.2171 236 THR C OG1 8033 C CG2 . THR C 114 ? 1.4198 0.5661 1.0676 0.0104 0.1183 0.1893 236 THR C CG2 8041 N N . VAL C 115 ? 1.6909 0.8735 1.3251 0.0549 0.0700 0.1997 237 VAL C N 8042 C CA . VAL C 115 ? 1.6836 0.9055 1.3152 0.0570 0.0570 0.1898 237 VAL C CA 8043 C C . VAL C 115 ? 1.6159 0.8603 1.2664 0.0432 0.0646 0.1670 237 VAL C C 8044 O O . VAL C 115 ? 1.5438 0.7790 1.2194 0.0367 0.0733 0.1560 237 VAL C O 8045 C CB . VAL C 115 ? 1.7053 0.9434 1.3550 0.0751 0.0398 0.1875 237 VAL C CB 8046 C CG1 . VAL C 115 ? 1.7801 0.9960 1.4172 0.0900 0.0315 0.2114 237 VAL C CG1 8047 C CG2 . VAL C 115 ? 1.6735 0.9108 1.3598 0.0765 0.0441 0.1693 237 VAL C CG2 8057 N N . THR C 116 ? 1.6252 0.8981 1.2629 0.0380 0.0608 0.1605 238 THR C N 8058 C CA . THR C 116 ? 1.5547 0.8507 1.2099 0.0261 0.0669 0.1402 238 THR C CA 8059 C C . THR C 116 ? 1.5002 0.8308 1.1436 0.0272 0.0573 0.1322 238 THR C C 8060 O O . THR C 116 ? 1.4787 0.8116 1.0914 0.0225 0.0592 0.1410 238 THR C O 8061 C CB . THR C 116 ? 1.5186 0.8011 1.1699 0.0092 0.0861 0.1423 238 THR C CB 8062 O OG1 . THR C 116 ? 1.5386 0.7848 1.1910 0.0081 0.0956 0.1548 238 THR C OG1 8063 C CG2 . THR C 116 ? 1.4463 0.7482 1.1277 -0.0020 0.0916 0.1222 238 THR C CG2 8071 C C1 . NAG D . ? 1.0236 0.5703 0.7612 -0.0148 0.0522 -0.0213 560 NAG C C1 8072 C C2 . NAG D . ? 1.0213 0.5576 0.7646 -0.0255 0.0661 -0.0100 560 NAG C C2 8073 C C3 . NAG D . ? 0.9652 0.5197 0.7102 -0.0339 0.0760 -0.0152 560 NAG C C3 8074 C C4 . NAG D . ? 0.9707 0.5420 0.6874 -0.0296 0.0760 -0.0182 560 NAG C C4 8075 C C5 . NAG D . ? 1.0120 0.5925 0.7231 -0.0190 0.0603 -0.0286 560 NAG C C5 8076 C C6 . NAG D . ? 1.0625 0.6587 0.7446 -0.0156 0.0593 -0.0295 560 NAG C C6 8077 C C7 . NAG D . ? 1.0459 0.5424 0.8159 -0.0316 0.0703 0.0036 560 NAG C C7 8078 C C8 . NAG D . ? 1.1084 0.5912 0.9064 -0.0419 0.0738 0.0036 560 NAG C C8 8079 N N2 . NAG D . ? 1.0442 0.5639 0.8132 -0.0307 0.0656 -0.0101 560 NAG C N2 8080 O O3 . NAG D . ? 0.9399 0.4840 0.6895 -0.0428 0.0914 -0.0028 560 NAG C O3 8081 O O4 . NAG D . ? 0.9275 0.5154 0.6487 -0.0362 0.0846 -0.0261 560 NAG C O4 8082 O O5 . NAG D . ? 1.0244 0.5882 0.7379 -0.0113 0.0519 -0.0215 560 NAG C O5 8083 O O6 . NAG D . ? 1.1248 0.7087 0.7831 -0.0148 0.0617 -0.0126 560 NAG C O6 8084 O O7 . NAG D . ? 0.9932 0.4791 0.7420 -0.0251 0.0712 0.0161 560 NAG C O7 8097 C C1 . NAG E . ? 0.9389 0.5214 0.6480 -0.0435 0.1024 -0.0144 561 NAG C C1 8098 C C2 . NAG E . ? 0.8783 0.4796 0.5783 -0.0470 0.1114 -0.0227 561 NAG C C2 8099 C C3 . NAG E . ? 0.9606 0.5538 0.6477 -0.0553 0.1336 -0.0115 561 NAG C C3 8100 C C4 . NAG E . ? 1.0289 0.6080 0.7450 -0.0620 0.1443 -0.0014 561 NAG C C4 8101 C C5 . NAG E . ? 1.0479 0.6094 0.7688 -0.0581 0.1326 0.0056 561 NAG C C5 8102 C C6 . NAG E . ? 1.0801 0.6269 0.8303 -0.0659 0.1433 0.0151 561 NAG C C6 8103 C C7 . NAG E . ? 0.8633 0.4939 0.5441 -0.0367 0.0927 -0.0464 561 NAG C C7 8104 C C8 . NAG E . ? 0.8395 0.4807 0.4964 -0.0294 0.0816 -0.0530 561 NAG C C8 8105 N N2 . NAG E . ? 0.8670 0.4802 0.5404 -0.0403 0.1016 -0.0304 561 NAG C N2 8106 O O3 . NAG E . ? 0.9559 0.5652 0.6420 -0.0589 0.1440 -0.0199 561 NAG C O3 8107 O O4 . NAG E . ? 1.0876 0.6542 0.7886 -0.0693 0.1668 0.0101 561 NAG C O4 8108 O O5 . NAG E . ? 0.9939 0.5640 0.7277 -0.0512 0.1127 -0.0063 561 NAG C O5 8109 O O6 . NAG E . ? 1.0606 0.6218 0.8500 -0.0706 0.1416 0.0066 561 NAG C O6 8110 O O7 . NAG E . ? 0.8733 0.5110 0.5790 -0.0395 0.0928 -0.0553 561 NAG C O7 8123 C C1 . BMA F . ? 1.0588 0.6380 0.7812 -0.0754 0.1826 0.0062 562 BMA C C1 8124 C C2 . BMA F . ? 1.0757 0.6375 0.8063 -0.0843 0.2077 0.0200 562 BMA C C2 8125 C C3 . BMA F . ? 1.1412 0.7162 0.8982 -0.0900 0.2266 0.0175 562 BMA C C3 8126 C C4 . BMA F . ? 1.1217 0.7096 0.8500 -0.0877 0.2297 0.0078 562 BMA C C4 8127 C C5 . BMA F . ? 1.0432 0.6475 0.7650 -0.0792 0.2021 -0.0057 562 BMA C C5 8128 C C6 . BMA F . ? 0.9876 0.6056 0.6828 -0.0774 0.2046 -0.0166 562 BMA C C6 8129 O O2 . BMA F . ? 1.0528 0.5946 0.7363 -0.0862 0.2190 0.0292 562 BMA C O2 8130 O O3 . BMA F . ? 1.2689 0.8260 1.0303 -0.0981 0.2533 0.0304 562 BMA C O3 8131 O O4 . BMA F . ? 1.1277 0.7287 0.8847 -0.0913 0.2456 0.0051 562 BMA C O4 8132 O O5 . BMA F . ? 1.0498 0.6413 0.7466 -0.0747 0.1875 -0.0017 562 BMA C O5 8133 O O6 . BMA F . ? 0.9419 0.5723 0.6287 -0.0696 0.1805 -0.0284 562 BMA C O6 8142 C C1 . MAN G . ? 1.3447 0.9012 1.1551 -0.1017 0.2521 0.0358 563 MAN C C1 8143 C C2 . MAN G . ? 1.3576 0.9249 1.2113 -0.1081 0.2733 0.0386 563 MAN C C2 8144 C C3 . MAN G . ? 1.3295 0.8747 1.1664 -0.1151 0.3075 0.0503 563 MAN C C3 8145 C C4 . MAN G . ? 1.4091 0.9250 1.2280 -0.1183 0.3111 0.0618 563 MAN C C4 8146 C C5 . MAN G . ? 1.4753 0.9841 1.2492 -0.1110 0.2863 0.0583 563 MAN C C5 8147 C C6 . MAN G . ? 1.6137 1.0915 1.3660 -0.1131 0.2892 0.0708 563 MAN C C6 8148 O O2 . MAN G . ? 1.4000 0.9745 1.3073 -0.1116 0.2651 0.0411 563 MAN C O2 8149 O O3 . MAN G . ? 1.2367 0.7916 1.1244 -0.1206 0.3273 0.0547 563 MAN C O3 8150 O O4 . MAN G . ? 1.4460 0.9366 1.2390 -0.1252 0.3430 0.0719 563 MAN C O4 8151 O O5 . MAN G . ? 1.4078 0.9381 1.2077 -0.1047 0.2578 0.0479 563 MAN C O5 8152 O O6 . MAN G . ? 1.6904 1.1632 1.4019 -0.1053 0.2669 0.0688 563 MAN C O6 8163 C C1 . MAN H . ? 0.8784 0.5224 0.5449 -0.0690 0.1846 -0.0393 564 MAN C C1 8164 C C2 . MAN H . ? 0.8158 0.4773 0.4891 -0.0616 0.1625 -0.0548 564 MAN C C2 8165 C C3 . MAN H . ? 0.8173 0.4752 0.4693 -0.0553 0.1435 -0.0555 564 MAN C C3 8166 C C4 . MAN H . ? 0.8104 0.4598 0.4179 -0.0578 0.1507 -0.0486 564 MAN C C4 8167 C C5 . MAN H . ? 0.8394 0.4690 0.4399 -0.0660 0.1720 -0.0332 564 MAN C C5 8168 C C6 . MAN H . ? 0.9154 0.5325 0.4651 -0.0703 0.1784 -0.0264 564 MAN C C6 8169 O O2 . MAN H . ? 0.7593 0.4339 0.4174 -0.0620 0.1691 -0.0656 564 MAN C O2 8170 O O3 . MAN H . ? 0.7944 0.4677 0.4476 -0.0491 0.1279 -0.0710 564 MAN C O3 8171 O O4 . MAN H . ? 0.8245 0.4705 0.4172 -0.0516 0.1324 -0.0459 564 MAN C O4 8172 O O5 . MAN H . ? 0.8916 0.5261 0.5110 -0.0712 0.1915 -0.0356 564 MAN C O5 8173 O O6 . MAN H . ? 0.9267 0.5596 0.4554 -0.0699 0.1755 -0.0391 564 MAN C O6 8182 C C1 . MAN I . ? 0.9190 0.5405 0.3976 -0.0763 0.1815 -0.0337 565 MAN C C1 8183 C C2 . MAN I . ? 0.9010 0.5366 0.3616 -0.0795 0.1886 -0.0474 565 MAN C C2 8184 C C3 . MAN I . ? 0.8976 0.5581 0.3795 -0.0699 0.1669 -0.0623 565 MAN C C3 8185 C C4 . MAN I . ? 0.8530 0.5155 0.3248 -0.0636 0.1422 -0.0586 565 MAN C C4 8186 C C5 . MAN I . ? 0.8735 0.5178 0.3562 -0.0614 0.1381 -0.0426 565 MAN C C5 8187 C C6 . MAN I . ? 0.9180 0.5623 0.3869 -0.0552 0.1153 -0.0364 565 MAN C C6 8188 O O2 . MAN I . ? 0.9181 0.5440 0.3269 -0.0869 0.1910 -0.0441 565 MAN C O2 8189 O O3 . MAN I . ? 0.9439 0.6173 0.4087 -0.0727 0.1727 -0.0757 565 MAN C O3 8190 O O4 . MAN I . ? 0.8516 0.5339 0.3483 -0.0543 0.1245 -0.0718 565 MAN C O4 8191 O O5 . MAN I . ? 0.9060 0.5278 0.3668 -0.0712 0.1589 -0.0300 565 MAN C O5 8192 O O6 . MAN I . ? 0.9723 0.6012 0.4587 -0.0509 0.1103 -0.0238 565 MAN C O6 8203 C C1 . MAN J . ? 0.8113 0.4872 0.5000 -0.0470 0.1169 -0.0769 566 MAN C C1 8204 C C2 . MAN J . ? 0.8397 0.5229 0.5244 -0.0393 0.0980 -0.0902 566 MAN C C2 8205 C C3 . MAN J . ? 0.8149 0.5139 0.4814 -0.0385 0.1009 -0.1036 566 MAN C C3 8206 C C4 . MAN J . ? 0.8047 0.5101 0.4897 -0.0433 0.1108 -0.1081 566 MAN C C4 8207 C C5 . MAN J . ? 0.8175 0.5159 0.5096 -0.0501 0.1294 -0.0935 566 MAN C C5 8208 C C6 . MAN J . ? 0.8162 0.5226 0.5324 -0.0540 0.1396 -0.0960 566 MAN C C6 8209 O O2 . MAN J . ? 0.8834 0.5641 0.5970 -0.0387 0.0875 -0.0961 566 MAN C O2 8210 O O3 . MAN J . ? 0.7928 0.4981 0.4571 -0.0318 0.0858 -0.1168 566 MAN C O3 8211 O O4 . MAN J . ? 0.8146 0.5325 0.4818 -0.0428 0.1156 -0.1202 566 MAN C O4 8212 O O5 . MAN J . ? 0.8126 0.4977 0.5224 -0.0511 0.1252 -0.0819 566 MAN C O5 8213 O O6 . MAN J . ? 0.8362 0.5367 0.5571 -0.0599 0.1610 -0.0832 566 MAN C O6 8224 C C1 . NAG K . ? 1.1393 0.6809 0.9910 -0.0823 -0.0102 -0.1295 573 NAG C C1 8225 C C2 . NAG K . ? 1.0925 0.6428 0.9271 -0.0793 -0.0151 -0.1449 573 NAG C C2 8226 C C3 . NAG K . ? 1.0789 0.6568 0.9226 -0.0806 -0.0119 -0.1419 573 NAG C C3 8227 C C4 . NAG K . ? 1.1254 0.7102 1.0006 -0.0924 -0.0139 -0.1299 573 NAG C C4 8228 C C5 . NAG K . ? 1.1812 0.7546 1.0716 -0.0954 -0.0088 -0.1165 573 NAG C C5 8229 C C6 . NAG K . ? 1.2303 0.8082 1.1555 -0.1091 -0.0125 -0.1063 573 NAG C C6 8230 C C7 . NAG K . ? 1.0432 0.5758 0.8392 -0.0631 -0.0141 -0.1659 573 NAG C C7 8231 C C8 . NAG K . ? 0.9292 0.4744 0.7068 -0.0517 -0.0096 -0.1761 573 NAG C C8 8232 N N2 . NAG K . ? 1.0592 0.6092 0.8720 -0.0657 -0.0096 -0.1514 573 NAG C N2 8233 O O3 . NAG K . ? 1.0559 0.6360 0.8853 -0.0812 -0.0189 -0.1566 573 NAG C O3 8234 O O4 . NAG K . ? 1.1417 0.7523 1.0260 -0.0896 -0.0042 -0.1237 573 NAG C O4 8235 O O5 . NAG K . ? 1.1863 0.7325 1.0640 -0.0956 -0.0146 -0.1223 573 NAG C O5 8236 O O6 . NAG K . ? 1.2664 0.8314 1.1954 -0.1209 -0.0302 -0.1148 573 NAG C O6 8237 O O7 . NAG K . ? 1.1452 0.6514 0.9399 -0.0704 -0.0204 -0.1711 573 NAG C O7 8250 C C1 . NAG L . ? 1.1961 0.8173 1.1021 -0.0991 -0.0122 -0.1230 574 NAG C C1 8251 C C2 . NAG L . ? 1.2786 0.9221 1.2090 -0.0987 0.0024 -0.1089 574 NAG C C2 8252 C C3 . NAG L . ? 1.1698 0.8284 1.1287 -0.1067 -0.0045 -0.1059 574 NAG C C3 8253 C C4 . NAG L . ? 1.1133 0.7707 1.0534 -0.1066 -0.0182 -0.1206 574 NAG C C4 8254 C C5 . NAG L . ? 1.1148 0.7468 1.0250 -0.1073 -0.0308 -0.1348 574 NAG C C5 8255 C C6 . NAG L . ? 1.1084 0.7376 0.9943 -0.1062 -0.0401 -0.1502 574 NAG C C6 8256 C C7 . NAG L . ? 1.4546 1.0925 1.3909 -0.0941 0.0268 -0.0878 574 NAG C C7 8257 C C8 . NAG L . ? 1.4926 1.1193 1.4452 -0.0985 0.0341 -0.0739 574 NAG C C8 8258 N N2 . NAG L . ? 1.4212 1.0588 1.3699 -0.1019 0.0106 -0.0949 574 NAG C N2 8259 O O3 . NAG L . ? 1.1059 0.7849 1.0796 -0.1026 0.0134 -0.0960 574 NAG C O3 8260 O O4 . NAG L . ? 1.0859 0.7508 1.0551 -0.1169 -0.0312 -0.1162 574 NAG C O4 8261 O O5 . NAG L . ? 1.1400 0.7644 1.0286 -0.0975 -0.0198 -0.1366 574 NAG C O5 8262 O O6 . NAG L . ? 1.1362 0.7479 0.9877 -0.0996 -0.0393 -0.1638 574 NAG C O6 8263 O O7 . NAG L . ? 1.4199 1.0654 1.3310 -0.0847 0.0351 -0.0920 574 NAG C O7 8276 C C1 . BMA M . ? 1.0079 0.6972 0.9969 -0.1132 -0.0199 -0.1085 575 BMA C C1 8277 C C2 . BMA M . ? 0.8576 0.5523 0.8603 -0.1203 -0.0381 -0.1106 575 BMA C C2 8278 C C3 . BMA M . ? 0.7923 0.5118 0.8178 -0.1155 -0.0261 -0.1023 575 BMA C C3 8279 C C4 . BMA M . ? 0.8253 0.5588 0.8896 -0.1159 -0.0076 -0.0848 575 BMA C C4 8280 C C5 . BMA M . ? 0.9666 0.6895 1.0101 -0.1109 0.0086 -0.0846 575 BMA C C5 8281 C C6 . BMA M . ? 1.0308 0.7626 1.1123 -0.1137 0.0258 -0.0671 575 BMA C C6 8282 O O2 . BMA M . ? 0.7878 0.4779 0.8219 -0.1339 -0.0547 -0.1027 575 BMA C O2 8283 O O3 . BMA M . ? 0.7253 0.4500 0.7701 -0.1229 -0.0454 -0.1008 575 BMA C O3 8284 O O4 . BMA M . ? 0.7422 0.4953 0.8219 -0.1096 0.0095 -0.0783 575 BMA C O4 8285 O O5 . BMA M . ? 1.0369 0.7385 1.0627 -0.1155 -0.0064 -0.0917 575 BMA C O5 8286 O O6 . BMA M . ? 1.0649 0.7835 1.1260 -0.1105 0.0382 -0.0656 575 BMA C O6 8295 C C1 . MAN N . ? 1.0339 0.7609 1.0904 -0.1036 0.0650 -0.0588 576 MAN C C1 8296 C C2 . MAN N . ? 1.0526 0.7668 1.0616 -0.0955 0.0735 -0.0654 576 MAN C C2 8297 C C3 . MAN N . ? 1.0947 0.7907 1.1009 -0.0987 0.0690 -0.0614 576 MAN C C3 8298 C C4 . MAN N . ? 1.0587 0.7547 1.1076 -0.1077 0.0759 -0.0459 576 MAN C C4 8299 C C5 . MAN N . ? 1.0828 0.7967 1.1793 -0.1149 0.0714 -0.0400 576 MAN C C5 8300 C C6 . MAN N . ? 1.1873 0.9043 1.3252 -0.1213 0.0882 -0.0231 576 MAN C C6 8301 O O2 . MAN N . ? 1.0718 0.7916 1.0715 -0.0907 0.0989 -0.0591 576 MAN C O2 8302 O O3 . MAN N . ? 1.2113 0.8991 1.1828 -0.0913 0.0827 -0.0609 576 MAN C O3 8303 O O4 . MAN N . ? 1.0264 0.7050 1.0767 -0.1131 0.0628 -0.0459 576 MAN C O4 8304 O O5 . MAN N . ? 1.0256 0.7553 1.1181 -0.1088 0.0796 -0.0430 576 MAN C O5 8305 O O6 . MAN N . ? 1.2782 0.9799 1.4252 -0.1290 0.0783 -0.0201 576 MAN C O6 8314 C C1 . MAN O . ? 1.3444 1.0500 1.5362 -0.1367 0.0928 -0.0046 577 MAN C C1 8315 C C2 . MAN O . ? 1.3772 1.0842 1.5620 -0.1306 0.1251 0.0038 577 MAN C C2 8316 C C3 . MAN O . ? 1.4547 1.1410 1.5837 -0.1231 0.1323 -0.0007 577 MAN C C3 8317 C C4 . MAN O . ? 1.4546 1.1205 1.5832 -0.1287 0.1250 0.0026 577 MAN C C4 8318 C C5 . MAN O . ? 1.4330 1.0992 1.5799 -0.1360 0.0961 -0.0044 577 MAN C C5 8319 C C6 . MAN O . ? 1.4757 1.1212 1.6300 -0.1436 0.0931 0.0009 577 MAN C C6 8320 O O2 . MAN O . ? 1.3513 1.0587 1.5789 -0.1384 0.1412 0.0185 577 MAN C O2 8321 O O3 . MAN O . ? 1.5129 1.1963 1.6284 -0.1193 0.1614 0.0068 577 MAN C O3 8322 O O4 . MAN O . ? 1.4530 1.1008 1.5309 -0.1207 0.1268 -0.0017 577 MAN C O4 8323 O O5 . MAN O . ? 1.3870 1.0740 1.5815 -0.1434 0.0891 -0.0008 577 MAN C O5 8324 O O6 . MAN O . ? 1.4953 1.1364 1.6582 -0.1514 0.0669 -0.0069 577 MAN C O6 8335 C C1 . MAN P . ? 1.3359 1.0181 1.2698 -0.0841 0.0714 -0.0752 578 MAN C C1 8336 C C2 . MAN P . ? 1.3842 1.0505 1.2933 -0.0796 0.0750 -0.0718 578 MAN C C2 8337 C C3 . MAN P . ? 1.3982 1.0668 1.2952 -0.0772 0.0976 -0.0613 578 MAN C C3 8338 C C4 . MAN P . ? 1.4710 1.1543 1.3488 -0.0727 0.1063 -0.0684 578 MAN C C4 8339 C C5 . MAN P . ? 1.4462 1.1442 1.3505 -0.0760 0.1018 -0.0733 578 MAN C C5 8340 C C6 . MAN P . ? 1.4374 1.1476 1.3192 -0.0709 0.1098 -0.0821 578 MAN C C6 8341 O O2 . MAN P . ? 1.3939 1.0557 1.2715 -0.0721 0.0646 -0.0847 578 MAN C O2 8342 O O3 . MAN P . ? 1.3489 1.0030 1.2187 -0.0724 0.0986 -0.0580 578 MAN C O3 8343 O O4 . MAN P . ? 1.5470 1.2299 1.4151 -0.0733 0.1291 -0.0583 578 MAN C O4 8344 O O5 . MAN P . ? 1.4030 1.0972 1.3150 -0.0778 0.0791 -0.0825 578 MAN C O5 8345 O O6 . MAN P . ? 1.4311 1.1533 1.3376 -0.0733 0.1049 -0.0854 578 MAN C O6 8356 C C1 . MAN Q . ? 0.6932 0.4172 0.7075 -0.1167 -0.0477 -0.1127 579 MAN C C1 8357 C C2 . MAN Q . ? 0.6876 0.4212 0.7294 -0.1235 -0.0657 -0.1062 579 MAN C C2 8358 C C3 . MAN Q . ? 0.6948 0.4119 0.7412 -0.1385 -0.0946 -0.1073 579 MAN C C3 8359 C C4 . MAN Q . ? 0.7359 0.4237 0.7263 -0.1388 -0.1026 -0.1272 579 MAN C C4 8360 C C5 . MAN Q . ? 0.7445 0.4260 0.7122 -0.1295 -0.0819 -0.1331 579 MAN C C5 8361 C C6 . MAN Q . ? 0.7922 0.4461 0.7090 -0.1285 -0.0880 -0.1527 579 MAN C C6 8362 O O2 . MAN Q . ? 0.6783 0.4102 0.6911 -0.1177 -0.0673 -0.1167 579 MAN C O2 8363 O O3 . MAN Q . ? 0.6757 0.4012 0.7456 -0.1456 -0.1143 -0.1006 579 MAN C O3 8364 O O4 . MAN Q . ? 0.7942 0.4614 0.7821 -0.1539 -0.1274 -0.1296 579 MAN C O4 8365 O O5 . MAN Q . ? 0.7038 0.4044 0.6717 -0.1166 -0.0579 -0.1303 579 MAN C O5 8366 O O6 . MAN Q . ? 0.8190 0.4675 0.7185 -0.1200 -0.0717 -0.1568 579 MAN C O6 8376 C C1 . NAG R . ? 0.6675 0.4196 0.6917 -0.1069 -0.0435 -0.1106 580 NAG C C1 8377 C C2 . NAG R . ? 0.6785 0.4227 0.6522 -0.0970 -0.0323 -0.1275 580 NAG C C2 8378 C C3 . NAG R . ? 0.6418 0.4042 0.6228 -0.0871 -0.0073 -0.1224 580 NAG C C3 8379 C C4 . NAG R . ? 0.6481 0.4280 0.6764 -0.0889 -0.0106 -0.1065 580 NAG C C4 8380 C C5 . NAG R . ? 0.7256 0.5126 0.8040 -0.0989 -0.0244 -0.0908 580 NAG C C5 8381 C C6 . NAG R . ? 0.8519 0.6569 0.9787 -0.1008 -0.0324 -0.0755 580 NAG C C6 8382 C C7 . NAG R . ? 0.8241 0.5334 0.7307 -0.0967 -0.0383 -0.1525 580 NAG C C7 8383 C C8 . NAG R . ? 0.8391 0.5383 0.7219 -0.0923 -0.0287 -0.1595 580 NAG C C8 8384 N N2 . NAG R . ? 0.7557 0.4869 0.6976 -0.0941 -0.0247 -0.1375 580 NAG C N2 8385 O O3 . NAG R . ? 0.6465 0.4012 0.5828 -0.0804 -0.0020 -0.1384 580 NAG C O3 8386 O O4 . NAG R . ? 0.6149 0.4104 0.6577 -0.0805 0.0183 -0.0987 580 NAG C O4 8387 O O5 . NAG R . ? 0.6948 0.4632 0.7569 -0.1089 -0.0504 -0.0985 580 NAG C O5 8388 O O6 . NAG R . ? 0.9867 0.8024 1.1665 -0.1096 -0.0402 -0.0594 580 NAG C O6 8389 O O7 . NAG R . ? 0.8408 0.5369 0.7339 -0.1025 -0.0574 -0.1601 580 NAG C O7 8402 C C1 . GAL S . ? 0.5722 0.3658 0.5823 -0.0727 0.0278 -0.1092 581 GAL C C1 8403 C C2 . GAL S . ? 0.5891 0.4002 0.6318 -0.0665 0.0513 -0.0958 581 GAL C C2 8404 C C3 . GAL S . ? 0.5885 0.3966 0.5960 -0.0583 0.0653 -0.1067 581 GAL C C3 8405 C C4 . GAL S . ? 0.6304 0.4257 0.5816 -0.0554 0.0752 -0.1250 581 GAL C C4 8406 C C5 . GAL S . ? 0.6007 0.3813 0.5296 -0.0613 0.0496 -0.1360 581 GAL C C5 8407 C C6 . GAL S . ? 0.6100 0.3796 0.4892 -0.0580 0.0579 -0.1531 581 GAL C C6 8408 O O2 . GAL S . ? 0.5996 0.4231 0.6946 -0.0707 0.0363 -0.0800 581 GAL C O2 8409 O O3 . GAL S . ? 0.5765 0.3977 0.6104 -0.0524 0.0925 -0.0949 581 GAL C O3 8410 O O4 . GAL S . ? 0.6989 0.4986 0.6519 -0.0538 0.0996 -0.1199 581 GAL C O4 8411 O O5 . GAL S . ? 0.5713 0.3547 0.5330 -0.0677 0.0411 -0.1244 581 GAL C O5 8412 O O6 . GAL S . ? 0.6551 0.4097 0.5191 -0.0632 0.0351 -0.1619 581 GAL C O6 8422 C C1 . SIA T . ? 0.8115 0.5627 0.6116 -0.0532 0.0619 -0.1823 582 SIA C C1 8423 C C2 . SIA T . ? 0.6969 0.4454 0.5322 -0.0605 0.0433 -0.1710 582 SIA C C2 8424 C C3 . SIA T . ? 0.6608 0.3901 0.4778 -0.0654 0.0197 -0.1825 582 SIA C C3 8425 C C4 . SIA T . ? 0.6585 0.3822 0.4608 -0.0634 0.0204 -0.1866 582 SIA C C4 8426 C C5 . SIA T . ? 0.7045 0.4347 0.5342 -0.0657 0.0289 -0.1718 582 SIA C C5 8427 C C6 . SIA T . ? 0.6750 0.4224 0.5160 -0.0614 0.0526 -0.1621 582 SIA C C6 8428 C C7 . SIA T . ? 0.6954 0.4487 0.5661 -0.0639 0.0616 -0.1454 582 SIA C C7 8429 C C8 . SIA T . ? 0.7403 0.5065 0.6198 -0.0605 0.0879 -0.1360 582 SIA C C8 8430 C C9 . SIA T . ? 0.8232 0.5892 0.7148 -0.0622 0.1010 -0.1235 582 SIA C C9 8431 C C10 . SIA T . ? 0.7906 0.5089 0.6221 -0.0672 0.0272 -0.1657 582 SIA C C10 8432 C C11 . SIA T . ? 0.7193 0.4281 0.5293 -0.0633 0.0287 -0.1708 582 SIA C C11 8433 N N5 . SIA T . ? 0.7729 0.4945 0.5850 -0.0637 0.0301 -0.1762 582 SIA C N5 8434 O O1A . SIA T . ? 0.8471 0.6070 0.6464 -0.0503 0.0837 -0.1773 582 SIA C O1A 8435 O O1B . SIA T . ? 0.8223 0.5888 0.6153 -0.0438 0.0472 -0.1809 582 SIA C O1B 8436 O O4 . SIA T . ? 0.6691 0.3878 0.4728 -0.0638 -0.0023 -0.1883 582 SIA C O4 8437 O O6 . SIA T . ? 0.6771 0.4332 0.5357 -0.0615 0.0540 -0.1576 582 SIA C O6 8438 O O7 . SIA T . ? 0.7307 0.4842 0.6399 -0.0713 0.0459 -0.1349 582 SIA C O7 8439 O O8 . SIA T . ? 0.7240 0.4904 0.5649 -0.0548 0.1006 -0.1482 582 SIA C O8 8440 O O9 . SIA T . ? 0.9327 0.7040 0.8153 -0.0593 0.1283 -0.1187 582 SIA C O9 8441 O O10 . SIA T . ? 0.8627 0.5857 0.7287 -0.0731 0.0236 -0.1525 582 SIA C O10 # 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 PCA 1 1 1 PCA PCA H . n A 1 2 GLU 2 2 2 GLU GLU H . n A 1 3 GLN 3 3 3 GLN GLN H . n A 1 4 LEU 4 4 4 LEU LEU H . n A 1 5 VAL 5 5 5 VAL VAL H . n A 1 6 GLU 6 6 6 GLU GLU H . n A 1 7 SER 7 7 7 SER SER H . n A 1 8 GLY 8 8 8 GLY GLY H . n A 1 9 GLY 9 9 9 GLY GLY H . n A 1 10 GLY 10 10 10 GLY GLY H . n A 1 11 VAL 11 11 11 VAL VAL H . n A 1 12 VAL 12 12 12 VAL VAL H . n A 1 13 GLN 13 13 13 GLN GLN H . n A 1 14 PRO 14 14 14 PRO PRO H . n A 1 15 GLY 15 15 15 GLY GLY H . n A 1 16 GLY 16 16 16 GLY GLY H . n A 1 17 SER 17 17 17 SER SER H . n A 1 18 LEU 18 18 18 LEU LEU H . n A 1 19 ARG 19 19 19 ARG ARG H . n A 1 20 LEU 20 20 20 LEU LEU H . n A 1 21 SER 21 21 21 SER SER H . n A 1 22 CYS 22 22 22 CYS CYS H . n A 1 23 LEU 23 23 23 LEU LEU H . n A 1 24 ALA 24 24 24 ALA ALA H . n A 1 25 SER 25 25 25 SER SER H . n A 1 26 GLY 26 26 26 GLY GLY H . n A 1 27 PHE 27 27 27 PHE PHE H . n A 1 28 THR 28 28 28 THR THR H . n A 1 29 PHE 29 29 29 PHE PHE H . n A 1 30 HIS 30 30 30 HIS HIS H . n A 1 31 LYS 31 31 31 LYS LYS H . n A 1 32 TYR 32 32 32 TYR TYR H . n A 1 33 GLY 33 33 33 GLY GLY H . n A 1 34 MET 34 34 34 MET MET H . n A 1 35 HIS 35 35 35 HIS HIS H . n A 1 36 TRP 36 36 36 TRP TRP H . n A 1 37 VAL 37 37 37 VAL VAL H . n A 1 38 ARG 38 38 38 ARG ARG H . n A 1 39 GLN 39 39 39 GLN GLN H . n A 1 40 ALA 40 40 40 ALA ALA H . n A 1 41 PRO 41 41 41 PRO PRO H . n A 1 42 GLY 42 42 42 GLY GLY H . n A 1 43 LYS 43 43 43 LYS LYS H . n A 1 44 GLY 44 44 44 GLY GLY H . n A 1 45 LEU 45 45 45 LEU LEU H . n A 1 46 GLU 46 46 46 GLU GLU H . n A 1 47 TRP 47 47 47 TRP TRP H . n A 1 48 VAL 48 48 48 VAL VAL H . n A 1 49 ALA 49 49 49 ALA ALA H . n A 1 50 LEU 50 50 50 LEU LEU H . n A 1 51 ILE 51 51 51 ILE ILE H . n A 1 52 SER 52 52 52 SER SER H . n A 1 53 ASP 53 52 52 ASP ASP H A n A 1 54 ASP 54 53 53 ASP ASP H . n A 1 55 GLY 55 54 54 GLY GLY H . n A 1 56 MET 56 55 55 MET MET H . n A 1 57 ARG 57 56 56 ARG ARG H . n A 1 58 LYS 58 57 57 LYS LYS H . n A 1 59 TYR 59 58 58 TYR TYR H . n A 1 60 HIS 60 59 59 HIS HIS H . n A 1 61 SER 61 60 60 SER SER H . n A 1 62 ASP 62 61 61 ASP ASP H . n A 1 63 SER 63 62 62 SER SER H . n A 1 64 MET 64 63 63 MET MET H . n A 1 65 TRP 65 64 64 TRP TRP H . n A 1 66 GLY 66 65 65 GLY GLY H . n A 1 67 ARG 67 66 66 ARG ARG H . n A 1 68 VAL 68 67 67 VAL VAL H . n A 1 69 THR 69 68 68 THR THR H . n A 1 70 ILE 70 69 69 ILE ILE H . n A 1 71 SER 71 70 70 SER SER H . n A 1 72 ARG 72 71 71 ARG ARG H . n A 1 73 ASP 73 72 72 ASP ASP H . n A 1 74 ASN 74 73 73 ASN ASN H . n A 1 75 SER 75 74 74 SER SER H . n A 1 76 LYS 76 75 75 LYS LYS H . n A 1 77 ASN 77 76 76 ASN ASN H . n A 1 78 THR 78 77 77 THR THR H . n A 1 79 LEU 79 78 78 LEU LEU H . n A 1 80 TYR 80 79 79 TYR TYR H . n A 1 81 LEU 81 80 80 LEU LEU H . n A 1 82 GLN 82 81 81 GLN GLN H . n A 1 83 PHE 83 82 82 PHE PHE H . n A 1 84 SER 84 82 82 SER SER H A n A 1 85 SER 85 82 82 SER SER H B n A 1 86 LEU 86 82 82 LEU LEU H C n A 1 87 LYS 87 83 83 LYS LYS H . n A 1 88 VAL 88 84 84 VAL VAL H . n A 1 89 GLU 89 85 85 GLU GLU H . n A 1 90 ASP 90 86 86 ASP ASP H . n A 1 91 THR 91 87 87 THR THR H . n A 1 92 ALA 92 88 88 ALA ALA H . n A 1 93 MET 93 89 89 MET MET H . n A 1 94 PHE 94 90 90 PHE PHE H . n A 1 95 PHE 95 91 91 PHE PHE H . n A 1 96 CYS 96 92 92 CYS CYS H . n A 1 97 ALA 97 93 93 ALA ALA H . n A 1 98 ARG 98 94 94 ARG ARG H . n A 1 99 GLU 99 95 95 GLU GLU H . n A 1 100 ALA 100 96 96 ALA ALA H . n A 1 101 GLY 101 97 97 GLY GLY H . n A 1 102 GLY 102 98 98 GLY GLY H . n A 1 103 PRO 103 99 99 PRO PRO H . n A 1 104 ILE 104 100 100 ILE ILE H . n A 1 105 TRP 105 100 100 TRP TRP H A n A 1 106 HIS 106 100 100 HIS HIS H B n A 1 107 ASP 107 100 100 ASP ASP H C n A 1 108 ASP 108 100 100 ASP ASP H D n A 1 109 VAL 109 100 100 VAL VAL H E n A 1 110 LYS 110 100 100 LYS LYS H F n A 1 111 TYR 111 100 100 TYR TYR H G n A 1 112 TYS 112 100 100 TYS TYS H H n A 1 113 ASP 113 100 100 ASP ASP H I n A 1 114 PHE 114 100 100 PHE PHE H J n A 1 115 ASN 115 100 100 ASN ASN H K n A 1 116 ASP 116 100 100 ASP ASP H L n A 1 117 GLY 117 100 100 GLY GLY H M n A 1 118 TYR 118 100 100 TYR TYR H N n A 1 119 TYR 119 100 100 TYR TYR H O n A 1 120 ASN 120 100 100 ASN ASN H P n A 1 121 TYR 121 100 100 TYR TYR H Q n A 1 122 HIS 122 100 100 HIS HIS H R n A 1 123 TYR 123 100 100 TYR TYR H S n A 1 124 MET 124 100 100 MET MET H T n A 1 125 ASP 125 101 101 ASP ASP H . n A 1 126 VAL 126 102 102 VAL VAL H . n A 1 127 TRP 127 103 103 TRP TRP H . n A 1 128 GLY 128 104 104 GLY GLY H . n A 1 129 LYS 129 105 105 LYS LYS H . n A 1 130 GLY 130 106 106 GLY GLY H . n A 1 131 THR 131 107 107 THR THR H . n A 1 132 THR 132 108 108 THR THR H . n A 1 133 VAL 133 109 109 VAL VAL H . n A 1 134 THR 134 110 110 THR THR H . n A 1 135 VAL 135 111 111 VAL VAL H . n A 1 136 SER 136 112 112 SER SER H . n A 1 137 SER 137 113 113 SER SER H . n A 1 138 ALA 138 114 114 ALA ALA H . n A 1 139 SER 139 115 115 SER SER H . n A 1 140 THR 140 116 116 THR THR H . n A 1 141 LYS 141 117 117 LYS LYS H . n A 1 142 GLY 142 118 118 GLY GLY H . n A 1 143 PRO 143 119 119 PRO PRO H . n A 1 144 SER 144 120 120 SER SER H . n A 1 145 VAL 145 121 121 VAL VAL H . n A 1 146 PHE 146 122 122 PHE PHE H . n A 1 147 PRO 147 123 123 PRO PRO H . n A 1 148 LEU 148 124 124 LEU LEU H . n A 1 149 ALA 149 125 125 ALA ALA H . n A 1 150 PRO 150 126 126 PRO PRO H . n A 1 151 SER 151 127 127 SER SER H . n A 1 152 SER 152 128 128 SER SER H . n A 1 153 LYS 153 129 129 LYS LYS H . n A 1 154 SER 154 130 130 SER SER H . n A 1 155 THR 155 131 131 THR THR H . n A 1 156 SER 156 132 132 SER SER H . n A 1 157 GLY 157 133 133 GLY GLY H . n A 1 158 GLY 158 134 134 GLY GLY H . n A 1 159 THR 159 135 135 THR THR H . n A 1 160 ALA 160 136 136 ALA ALA H . n A 1 161 ALA 161 137 137 ALA ALA H . n A 1 162 LEU 162 138 138 LEU LEU H . n A 1 163 GLY 163 139 139 GLY GLY H . n A 1 164 CYS 164 140 140 CYS CYS H . n A 1 165 LEU 165 141 141 LEU LEU H . n A 1 166 VAL 166 142 142 VAL VAL H . n A 1 167 LYS 167 143 143 LYS LYS H . n A 1 168 ASP 168 144 144 ASP ASP H . n A 1 169 TYR 169 145 145 TYR TYR H . n A 1 170 PHE 170 146 146 PHE PHE H . n A 1 171 PRO 171 147 147 PRO PRO H . n A 1 172 GLU 172 148 148 GLU GLU H . n A 1 173 PRO 173 149 149 PRO PRO H . n A 1 174 VAL 174 150 150 VAL VAL H . n A 1 175 THR 175 151 151 THR THR H . n A 1 176 VAL 176 152 152 VAL VAL H . n A 1 177 SER 177 153 153 SER SER H . n A 1 178 TRP 178 154 154 TRP TRP H . n A 1 179 ASN 179 155 155 ASN ASN H . n A 1 180 SER 180 156 156 SER SER H . n A 1 181 GLY 181 157 157 GLY GLY H . n A 1 182 ALA 182 158 158 ALA ALA H . n A 1 183 LEU 183 159 159 LEU LEU H . n A 1 184 THR 184 160 160 THR THR H . n A 1 185 SER 185 161 161 SER SER H . n A 1 186 GLY 186 162 162 GLY GLY H . n A 1 187 VAL 187 163 163 VAL VAL H . n A 1 188 HIS 188 164 164 HIS HIS H . n A 1 189 THR 189 165 165 THR THR H . n A 1 190 PHE 190 166 166 PHE PHE H . n A 1 191 PRO 191 167 167 PRO PRO H . n A 1 192 ALA 192 168 168 ALA ALA H . n A 1 193 VAL 193 169 169 VAL VAL H . n A 1 194 LEU 194 170 170 LEU LEU H . n A 1 195 GLN 195 171 171 GLN GLN H . n A 1 196 SER 196 172 172 SER SER H . n A 1 197 SER 197 173 173 SER SER H . n A 1 198 GLY 198 174 174 GLY GLY H . n A 1 199 LEU 199 175 175 LEU LEU H . n A 1 200 TYR 200 176 176 TYR TYR H . n A 1 201 SER 201 177 177 SER SER H . n A 1 202 LEU 202 178 178 LEU LEU H . n A 1 203 SER 203 179 179 SER SER H . n A 1 204 SER 204 180 180 SER SER H . n A 1 205 VAL 205 181 181 VAL VAL H . n A 1 206 VAL 206 182 182 VAL VAL H . n A 1 207 THR 207 183 183 THR THR H . n A 1 208 VAL 208 184 184 VAL VAL H . n A 1 209 PRO 209 185 185 PRO PRO H . n A 1 210 SER 210 186 186 SER SER H . n A 1 211 SER 211 187 187 SER SER H . n A 1 212 SER 212 188 188 SER SER H . n A 1 213 LEU 213 189 189 LEU LEU H . n A 1 214 GLY 214 190 190 GLY GLY H . n A 1 215 THR 215 191 191 THR THR H . n A 1 216 GLN 216 192 192 GLN GLN H . n A 1 217 THR 217 193 193 THR THR H . n A 1 218 TYR 218 194 194 TYR TYR H . n A 1 219 ILE 219 195 195 ILE ILE H . n A 1 220 CYS 220 196 196 CYS CYS H . n A 1 221 ASN 221 197 197 ASN ASN H . n A 1 222 VAL 222 198 198 VAL VAL H . n A 1 223 ASN 223 199 199 ASN ASN H . n A 1 224 HIS 224 200 200 HIS HIS H . n A 1 225 LYS 225 201 201 LYS LYS H . n A 1 226 PRO 226 202 202 PRO PRO H . n A 1 227 SER 227 203 203 SER SER H . n A 1 228 ASN 228 204 204 ASN ASN H . n A 1 229 THR 229 205 205 THR THR H . n A 1 230 LYS 230 206 206 LYS LYS H . n A 1 231 VAL 231 207 207 VAL VAL H . n A 1 232 ASP 232 208 208 ASP ASP H . n A 1 233 LYS 233 209 209 LYS LYS H . n A 1 234 ARG 234 210 210 ARG ARG H . n A 1 235 VAL 235 211 211 VAL VAL H . n A 1 236 GLU 236 212 212 GLU GLU H . n A 1 237 PRO 237 213 213 PRO PRO H . n A 1 238 LYS 238 214 214 LYS LYS H . n A 1 239 SER 239 215 215 SER SER H . n A 1 240 CYS 240 216 216 CYS CYS H . n A 1 241 GLY 241 217 ? ? ? H . n A 1 242 LEU 242 218 ? ? ? H . n A 1 243 GLU 243 219 ? ? ? H . n A 1 244 VAL 244 220 ? ? ? H . n A 1 245 LEU 245 221 ? ? ? H . n A 1 246 PHE 246 222 ? ? ? H . n B 2 1 GLN 1 1 1 GLN GLN L . n B 2 2 SER 2 2 2 SER SER L . n B 2 3 ALA 3 3 3 ALA ALA 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 ALA 8 8 8 ALA ALA L . n B 2 9 SER 9 9 9 SER SER 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 GLY 12 13 13 GLY GLY L . n B 2 13 SER 13 14 14 SER SER L . n B 2 14 PRO 14 15 15 PRO PRO 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 THR 17 18 18 THR THR L . n B 2 18 ILE 18 19 19 ILE ILE 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 SER 21 22 22 SER SER L . n B 2 22 CYS 22 23 23 CYS CYS L . n B 2 23 GLN 23 24 24 GLN GLN L . n B 2 24 GLY 24 25 25 GLY GLY L . n B 2 25 THR 25 26 26 THR THR L . n B 2 26 SER 26 27 27 SER SER L . n B 2 27 SER 27 27 27 SER SER L A n B 2 28 ASP 28 27 27 ASP ASP L B n B 2 29 VAL 29 27 27 VAL VAL L C n B 2 30 GLY 30 28 28 GLY GLY L . n B 2 31 GLY 31 29 29 GLY GLY L . n B 2 32 PHE 32 30 30 PHE PHE L . n B 2 33 ASP 33 31 31 ASP ASP L . n B 2 34 SER 34 32 32 SER SER L . n B 2 35 VAL 35 33 33 VAL VAL L . n B 2 36 SER 36 34 34 SER SER L . n B 2 37 TRP 37 35 35 TRP TRP L . n B 2 38 TYR 38 36 36 TYR TYR L . n B 2 39 GLN 39 37 37 GLN GLN L . n B 2 40 GLN 40 38 38 GLN GLN L . n B 2 41 SER 41 39 39 SER SER L . n B 2 42 PRO 42 40 40 PRO PRO L . n B 2 43 GLY 43 41 41 GLY GLY L . n B 2 44 LYS 44 42 42 LYS LYS L . n B 2 45 ALA 45 43 43 ALA ALA L . n B 2 46 PRO 46 44 44 PRO PRO L . n B 2 47 LYS 47 45 45 LYS LYS L . n B 2 48 VAL 48 46 46 VAL VAL L . n B 2 49 MET 49 47 47 MET MET L . n B 2 50 VAL 50 48 48 VAL VAL L . n B 2 51 PHE 51 49 49 PHE PHE L . n B 2 52 ASP 52 50 50 ASP ASP L . n B 2 53 VAL 53 51 51 VAL VAL L . n B 2 54 SER 54 52 52 SER SER L . n B 2 55 HIS 55 53 53 HIS HIS L . n B 2 56 ARG 56 54 54 ARG ARG L . n B 2 57 PRO 57 55 55 PRO PRO L . n B 2 58 SER 58 56 56 SER SER L . n B 2 59 GLY 59 57 57 GLY GLY L . n B 2 60 ILE 60 58 58 ILE ILE L . n B 2 61 SER 61 59 59 SER SER L . n B 2 62 ASN 62 60 60 ASN ASN L . n B 2 63 ARG 63 61 61 ARG ARG L . n B 2 64 PHE 64 62 62 PHE PHE L . n B 2 65 SER 65 63 63 SER SER L . n B 2 66 GLY 66 64 64 GLY GLY L . n B 2 67 SER 67 65 65 SER SER L . n B 2 68 LYS 68 66 66 LYS LYS L . n B 2 69 SER 69 67 67 SER SER L . n B 2 70 GLY 70 68 68 GLY GLY L . n B 2 71 ASN 71 69 69 ASN ASN L . n B 2 72 THR 72 70 70 THR THR L . n B 2 73 ALA 73 71 71 ALA ALA L . n B 2 74 SER 74 72 72 SER SER L . n B 2 75 LEU 75 73 73 LEU LEU L . n B 2 76 THR 76 74 74 THR THR L . n B 2 77 ILE 77 75 75 ILE ILE L . n B 2 78 SER 78 76 76 SER SER L . n B 2 79 GLY 79 77 77 GLY GLY L . n B 2 80 LEU 80 78 78 LEU LEU L . n B 2 81 HIS 81 79 79 HIS HIS L . n B 2 82 ILE 82 80 80 ILE ILE L . n B 2 83 GLU 83 81 81 GLU GLU L . n B 2 84 ASP 84 82 82 ASP ASP L . n B 2 85 GLU 85 83 83 GLU GLU L . n B 2 86 GLY 86 84 84 GLY GLY L . n B 2 87 ASP 87 85 85 ASP ASP L . n B 2 88 TYR 88 86 86 TYR TYR L . n B 2 89 PHE 89 87 87 PHE PHE L . n B 2 90 CYS 90 88 88 CYS CYS L . n B 2 91 SER 91 89 89 SER SER L . n B 2 92 SER 92 90 90 SER SER L . n B 2 93 LEU 93 91 91 LEU LEU L . n B 2 94 THR 94 92 92 THR THR L . n B 2 95 ASP 95 93 93 ASP ASP L . n B 2 96 ARG 96 94 94 ARG ARG L . n B 2 97 SER 97 95 95 SER SER L . n B 2 98 HIS 98 95 95 HIS HIS L A n B 2 99 ARG 99 96 96 ARG ARG L . n B 2 100 ILE 100 97 97 ILE ILE L . n B 2 101 PHE 101 98 98 PHE PHE L . n B 2 102 GLY 102 99 99 GLY GLY L . n B 2 103 GLY 103 100 100 GLY GLY L . n B 2 104 GLY 104 101 101 GLY GLY L . n B 2 105 THR 105 102 102 THR THR L . n B 2 106 LYS 106 103 103 LYS LYS L . n B 2 107 VAL 107 104 104 VAL VAL L . n B 2 108 THR 108 105 105 THR THR L . n B 2 109 VAL 109 106 106 VAL VAL L . n B 2 110 LEU 110 106 106 LEU LEU L A n B 2 111 GLY 111 107 107 GLY GLY L . n B 2 112 GLN 112 108 108 GLN GLN L . n B 2 113 PRO 113 109 109 PRO PRO L . n B 2 114 LYS 114 110 110 LYS LYS L . n B 2 115 ALA 115 111 111 ALA ALA L . n B 2 116 ALA 116 112 112 ALA ALA L . n B 2 117 PRO 117 113 113 PRO PRO L . n B 2 118 SER 118 114 114 SER SER L . n B 2 119 VAL 119 115 115 VAL VAL L . n B 2 120 THR 120 116 116 THR THR L . n B 2 121 LEU 121 117 117 LEU LEU L . n B 2 122 PHE 122 118 118 PHE PHE L . n B 2 123 PRO 123 119 119 PRO PRO L . n B 2 124 PRO 124 120 120 PRO PRO L . n B 2 125 SER 125 121 121 SER SER L . n B 2 126 SER 126 122 122 SER SER L . n B 2 127 GLU 127 123 123 GLU GLU L . n B 2 128 GLU 128 124 124 GLU GLU L . n B 2 129 LEU 129 125 125 LEU LEU L . n B 2 130 GLN 130 126 126 GLN GLN L . n B 2 131 ALA 131 127 127 ALA ALA L . n B 2 132 ASN 132 128 128 ASN ASN L . n B 2 133 LYS 133 129 129 LYS LYS L . n B 2 134 ALA 134 130 130 ALA ALA L . n B 2 135 THR 135 131 131 THR THR L . n B 2 136 LEU 136 132 132 LEU LEU L . n B 2 137 VAL 137 133 133 VAL VAL L . n B 2 138 CYS 138 134 134 CYS CYS L . n B 2 139 LEU 139 135 135 LEU LEU L . n B 2 140 ILE 140 136 136 ILE ILE L . n B 2 141 SER 141 137 137 SER SER L . n B 2 142 ASP 142 138 138 ASP ASP L . n B 2 143 PHE 143 139 139 PHE PHE L . n B 2 144 TYR 144 140 140 TYR TYR L . n B 2 145 PRO 145 141 141 PRO PRO L . n B 2 146 GLY 146 142 142 GLY GLY L . n B 2 147 ALA 147 143 143 ALA ALA L . n B 2 148 VAL 148 144 144 VAL VAL L . n B 2 149 THR 149 145 145 THR THR L . n B 2 150 VAL 150 146 146 VAL VAL L . n B 2 151 ALA 151 147 147 ALA ALA L . n B 2 152 TRP 152 148 148 TRP TRP L . n B 2 153 LYS 153 149 149 LYS LYS L . n B 2 154 ALA 154 150 150 ALA ALA L . n B 2 155 ASP 155 151 151 ASP ASP L . n B 2 156 SER 156 152 152 SER SER L . n B 2 157 SER 157 153 153 SER SER L . n B 2 158 PRO 158 154 154 PRO PRO L . n B 2 159 VAL 159 155 155 VAL VAL L . n B 2 160 LYS 160 156 156 LYS LYS L . n B 2 161 ALA 161 157 157 ALA ALA L . n B 2 162 GLY 162 158 158 GLY GLY L . n B 2 163 VAL 163 159 159 VAL VAL L . n B 2 164 GLU 164 160 160 GLU GLU L . n B 2 165 THR 165 161 161 THR THR L . n B 2 166 THR 166 162 162 THR THR L . n B 2 167 THR 167 163 163 THR THR L . n B 2 168 PRO 168 164 164 PRO PRO L . n B 2 169 SER 169 165 165 SER SER L . n B 2 170 LYS 170 166 166 LYS LYS L . n B 2 171 GLN 171 167 167 GLN GLN L . n B 2 172 SER 172 168 168 SER SER L . n B 2 173 ASN 173 169 169 ASN ASN L . n B 2 174 ASN 174 170 170 ASN ASN L . n B 2 175 LYS 175 171 171 LYS LYS L . n B 2 176 TYR 176 172 172 TYR TYR L . n B 2 177 ALA 177 173 173 ALA ALA L . n B 2 178 ALA 178 174 174 ALA ALA L . n B 2 179 SER 179 175 175 SER SER L . n B 2 180 SER 180 176 176 SER SER L . n B 2 181 TYR 181 177 177 TYR TYR L . n B 2 182 LEU 182 178 178 LEU LEU L . n B 2 183 SER 183 179 179 SER SER L . n B 2 184 LEU 184 180 180 LEU LEU L . n B 2 185 THR 185 181 181 THR THR L . n B 2 186 PRO 186 182 182 PRO PRO L . n B 2 187 GLU 187 183 183 GLU GLU L . n B 2 188 GLN 188 184 184 GLN GLN L . n B 2 189 TRP 189 185 185 TRP TRP L . n B 2 190 LYS 190 186 186 LYS LYS L . n B 2 191 SER 191 187 187 SER SER L . n B 2 192 HIS 192 188 188 HIS HIS L . n B 2 193 LYS 193 189 189 LYS LYS L . n B 2 194 SER 194 190 190 SER SER L . n B 2 195 TYR 195 191 191 TYR TYR L . n B 2 196 SER 196 192 192 SER SER L . n B 2 197 CYS 197 193 193 CYS CYS L . n B 2 198 GLN 198 194 194 GLN GLN L . n B 2 199 VAL 199 195 195 VAL VAL L . n B 2 200 THR 200 196 196 THR THR L . n B 2 201 HIS 201 197 197 HIS HIS L . n B 2 202 GLU 202 198 198 GLU GLU L . n B 2 203 GLY 203 199 199 GLY GLY L . n B 2 204 SER 204 200 200 SER SER L . n B 2 205 THR 205 201 201 THR THR L . n B 2 206 VAL 206 202 202 VAL VAL L . n B 2 207 GLU 207 203 203 GLU GLU L . n B 2 208 LYS 208 204 204 LYS LYS L . n B 2 209 THR 209 205 205 THR THR L . n B 2 210 VAL 210 206 206 VAL VAL L . n B 2 211 ALA 211 207 207 ALA ALA L . n B 2 212 PRO 212 208 208 PRO PRO L . n B 2 213 THR 213 209 209 THR THR L . n B 2 214 GLU 214 210 210 GLU GLU L . n B 2 215 CYS 215 211 ? ? ? L . n B 2 216 SER 216 212 ? ? ? L . n C 3 1 MET 1 118 ? ? ? C . n C 3 2 THR 2 119 119 THR THR C . n C 3 3 THR 3 120 120 THR THR C . n C 3 4 PHE 4 121 121 PHE PHE C . n C 3 5 LYS 5 122 122 LYS LYS C . n C 3 6 LEU 6 123 123 LEU LEU C . n C 3 7 ALA 7 124 124 ALA ALA C . n C 3 8 ALA 8 125 125 ALA ALA C . n C 3 9 CYS 9 126 126 CYS CYS C . n C 3 10 VAL 10 127 127 VAL VAL C . n C 3 11 THR 11 128 128 THR THR C . n C 3 12 LEU 12 129 129 LEU LEU C . n C 3 13 ALA 13 130 130 ALA ALA C . n C 3 14 CYS 14 131 131 CYS CYS C . n C 3 15 THR 15 132 132 THR THR C . n C 3 16 SER 16 143 ? ? ? C . n C 3 17 PRO 17 144 ? ? ? C . n C 3 18 ALA 18 145 ? ? ? C . n C 3 19 ALA 19 146 ? ? ? C . n C 3 20 HIS 20 147 ? ? ? C . n C 3 21 ALA 21 148 ? ? ? C . n C 3 22 GLU 22 149 ? ? ? C . n C 3 23 SER 23 150 ? ? ? C . n C 3 24 GLU 24 151 ? ? ? C . n C 3 25 THR 25 152 ? ? ? C . n C 3 26 ARG 26 153 153 ARG ARG C . n C 3 27 VAL 27 154 154 VAL VAL C . n C 3 28 LYS 28 155 155 LYS LYS C . n C 3 29 HIS 29 156 156 HIS HIS C . n C 3 30 CYS 30 157 157 CYS CYS C . n C 3 31 SER 31 158 158 SER SER C . n C 3 32 PHE 32 159 159 PHE PHE C . n C 3 33 ASN 33 160 160 ASN ASN C . n C 3 34 ILE 34 161 161 ILE ILE C . n C 3 35 THR 35 162 162 THR THR C . n C 3 36 THR 36 163 163 THR THR C . n C 3 37 ASP 37 164 164 ASP ASP C . n C 3 38 VAL 38 165 165 VAL VAL C . n C 3 39 LYS 39 166 166 LYS LYS C . n C 3 40 ASP 40 167 167 ASP ASP C . n C 3 41 ARG 41 168 168 ARG ARG C . n C 3 42 LYS 42 169 169 LYS LYS C . n C 3 43 GLN 43 170 170 GLN GLN C . n C 3 44 LYS 44 171 171 LYS LYS C . n C 3 45 VAL 45 172 172 VAL VAL C . n C 3 46 ASN 46 173 173 ASN ASN C . n C 3 47 ALA 47 174 174 ALA ALA C . n C 3 48 THR 48 175 175 THR THR C . n C 3 49 PHE 49 176 176 PHE PHE C . n C 3 50 TYR 50 177 177 TYR TYR C . n C 3 51 ASP 51 178 ? ? ? C . n C 3 52 LEU 52 178 ? ? ? C A n C 3 53 ASP 53 178 ? ? ? C B n C 3 54 ILE 54 178 ? ? ? C C n C 3 55 VAL 55 178 ? ? ? C D n C 3 56 PRO 56 178 ? ? ? C E n C 3 57 LEU 57 178 ? ? ? C F n C 3 58 SER 58 178 ? ? ? C G n C 3 59 SER 59 178 ? ? ? C H n C 3 60 SER 60 178 ? ? ? C I n C 3 61 ASP 61 178 ? ? ? C J n C 3 62 ALA 62 178 ? ? ? C K n C 3 63 SER 63 178 ? ? ? C L n C 3 64 SER 64 178 ? ? ? C M n C 3 65 ALA 65 178 ? ? ? C N n C 3 66 SER 66 178 ? ? ? C O n C 3 67 SER 67 178 ? ? ? C P n C 3 68 LEU 68 190 190 LEU LEU C . n C 3 69 TYR 69 191 191 TYR TYR C . n C 3 70 ARG 70 192 192 ARG ARG C . n C 3 71 LEU 71 193 193 LEU LEU C . n C 3 72 ILE 72 194 194 ILE ILE C . n C 3 73 SER 73 195 195 SER SER C . n C 3 74 CYS 74 196 196 CYS CYS C . n C 3 75 GLN 75 197 197 GLN GLN C . n C 3 76 THR 76 198 198 THR THR C . n C 3 77 THR 77 199 199 THR THR C . n C 3 78 THR 78 200 200 THR THR C . n C 3 79 THR 79 201 201 THR THR C . n C 3 80 GLU 80 202 202 GLU GLU C . n C 3 81 ALA 81 203 203 ALA ALA C . n C 3 82 VAL 82 204 204 VAL VAL C . n C 3 83 ASP 83 205 205 ASP ASP C . n C 3 84 ALA 84 206 206 ALA ALA C . n C 3 85 ALA 85 207 207 ALA ALA C . n C 3 86 THR 86 208 208 THR THR C . n C 3 87 ALA 87 209 209 ALA ALA C . n C 3 88 ALA 88 210 210 ALA ALA C . n C 3 89 LYS 89 211 211 LYS LYS C . n C 3 90 VAL 90 212 212 VAL VAL C . n C 3 91 PHE 91 213 213 PHE PHE C . n C 3 92 LYS 92 214 214 LYS LYS C . n C 3 93 GLN 93 215 215 GLN GLN C . n C 3 94 TYR 94 216 216 TYR TYR C . n C 3 95 ALA 95 217 217 ALA ALA C . n C 3 96 ASN 96 218 218 ASN ASN C . n C 3 97 ASP 97 219 219 ASP ASP C . n C 3 98 ASN 98 220 220 ASN ASN C . n C 3 99 GLY 99 221 221 GLY GLY C . n C 3 100 ILE 100 222 222 ILE ILE C . n C 3 101 ASP 101 223 223 ASP ASP C . n C 3 102 GLY 102 224 224 GLY GLY C . n C 3 103 GLU 103 225 225 GLU GLU C . n C 3 104 TRP 104 226 226 TRP TRP C . n C 3 105 THR 105 227 227 THR THR C . n C 3 106 TYR 106 228 228 TYR TYR C . n C 3 107 ASP 107 229 229 ASP ASP C . n C 3 108 ASP 108 230 230 ASP ASP C . n C 3 109 ALA 109 231 231 ALA ALA C . n C 3 110 THR 110 232 232 THR THR C . n C 3 111 LYS 111 233 233 LYS LYS C . n C 3 112 THR 112 234 234 THR THR C . n C 3 113 PHE 113 235 235 PHE PHE C . n C 3 114 THR 114 236 236 THR THR C . n C 3 115 VAL 115 237 237 VAL VAL C . n C 3 116 THR 116 238 238 THR THR C . n C 3 117 GLU 117 239 ? ? ? C . n C 3 118 GLY 118 240 ? ? ? C . n C 3 119 LEU 119 241 ? ? ? C . n C 3 120 GLU 120 242 ? ? ? C . n C 3 121 VAL 121 243 ? ? ? C . n C 3 122 LEU 122 244 ? ? ? C . n C 3 123 PHE 123 245 ? ? ? C . n C 3 124 GLN 124 246 ? ? ? C . 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 C ASN 33 C ASN 160 ? ASN 'GLYCOSYLATION SITE' 2 C ASN 46 C ASN 173 ? ASN 'GLYCOSYLATION SITE' 3 A PCA 1 H PCA 1 ? GLU 'PYROGLUTAMIC ACID' 4 A TYS 112 H TYS 100 H TYR O-SULFO-L-TYROSINE # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W # 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)' 9770 ? 1 MORE 39 ? 1 'SSA (A^2)' 27380 ? # _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 2013-03-06 2 'Structure model' 1 1 2013-05-08 3 'Structure model' 1 2 2013-06-05 4 'Structure model' 1 3 2013-07-24 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Derived calculations' 2 2 'Structure model' Other 3 3 'Structure model' 'Database references' 4 4 'Structure model' 'Database references' # 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 23.9581 -61.9694 17.6696 0.2391 0.2211 0.1154 -0.0178 0.0059 0.0460 2.1530 3.9949 4.6894 0.8354 0.7286 2.4022 -0.0390 -0.0789 -0.0206 -0.0551 0.1204 -0.0675 0.2249 -0.0201 -0.0911 'X-RAY DIFFRACTION' 2 ? refined 18.7476 -30.6259 11.3860 0.2909 0.3710 0.3451 0.0108 0.0090 0.0798 2.2388 4.6076 4.4944 -0.2472 -0.1616 -1.4300 -0.0635 0.3146 0.4274 -0.1138 0.2017 0.5816 -0.5804 -0.4884 -0.0873 'X-RAY DIFFRACTION' 3 ? refined 27.4110 -67.3476 -1.7159 0.3159 0.2781 0.1626 0.0531 -0.0341 -0.0442 1.7023 4.6523 3.6093 -0.1919 0.4192 -1.6794 0.0476 0.1126 -0.2231 -0.0246 -0.0028 -0.2126 0.5053 0.2540 -0.0022 'X-RAY DIFFRACTION' 4 ? refined 31.4571 -26.3923 3.0097 0.4619 0.3196 0.3465 -0.1082 -0.0028 0.1381 2.9063 4.5756 6.6350 0.3294 0.4911 1.2057 0.0258 0.2584 0.5511 -0.0087 0.3111 -0.0159 -0.2638 -0.1865 -0.2664 'X-RAY DIFFRACTION' 5 ? refined 19.9505 -99.4911 8.2109 1.0421 0.4262 0.8179 -0.0036 0.0584 0.0360 0.6398 2.7970 1.1041 0.7527 -0.7821 -0.3721 -0.0710 -0.3434 -0.7242 0.4021 0.0472 0.2110 0.6252 0.1205 -0.0837 # 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 ? ? ? ? ? ? ? ? ? 'chain L and resid 1:110' 'X-RAY DIFFRACTION' 2 2 ? ? ? ? ? ? ? ? ? 'chain L and resid 111:210' 'X-RAY DIFFRACTION' 3 3 ? ? ? ? ? ? ? ? ? 'chain H and resid 1:137' 'X-RAY DIFFRACTION' 4 4 ? ? ? ? ? ? ? ? ? 'chain H and resid 138:216' 'X-RAY DIFFRACTION' 5 5 ? ? ? ? ? ? ? ? ? 'chain C and resid 119:317' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 PHASER phasing . ? 2 PHENIX refinement '(phenix.refine: 1.7.2_869)' ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 HH H TYR 79 ? ? O H HOH 349 ? ? 1.52 2 1 OG H SER 130 ? ? O H SER 132 ? ? 1.99 3 1 O H TRP 103 ? ? O H HOH 331 ? ? 2.08 4 1 O C ARG 153 ? ? O C HOH 414 ? ? 2.10 5 1 O H LEU 189 ? ? O H HOH 348 ? ? 2.11 6 1 OH H TYR 79 ? ? O H HOH 349 ? ? 2.13 7 1 O2 C MAN 563 ? ? O C HOH 411 ? ? 2.17 8 1 OE2 L GLU 160 ? ? O L HOH 373 ? ? 2.17 9 1 N C THR 119 ? ? O C ALA 203 ? ? 2.19 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 H _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 336 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 L _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 342 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 6_544 _pdbx_validate_symm_contact.dist 1.79 # 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 LEU H 18 ? ? -170.07 141.67 2 1 ASP H 100 C ? 68.05 -134.58 3 1 LYS H 129 ? ? -98.29 -77.76 4 1 ASP H 144 ? ? 63.15 71.59 5 1 SER H 215 ? ? -67.81 -80.41 6 1 ASP L 27 B ? -138.44 -91.87 7 1 ASP L 31 ? ? -95.09 51.14 8 1 VAL L 51 ? ? 75.41 -57.56 9 1 ASP L 151 ? ? 60.04 -118.00 10 1 PRO L 208 ? ? -61.56 98.38 11 1 CYS C 131 ? ? -133.70 -159.82 12 1 ASP C 164 ? ? 109.14 -35.11 13 1 ALA C 203 ? ? -144.62 -152.87 14 1 ALA C 207 ? ? -99.93 -62.60 15 1 ASP C 219 ? ? -68.80 6.08 16 1 ASP C 223 ? ? -167.77 -157.59 # 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 H GLY 217 ? A GLY 241 2 1 Y 1 H LEU 218 ? A LEU 242 3 1 Y 1 H GLU 219 ? A GLU 243 4 1 Y 1 H VAL 220 ? A VAL 244 5 1 Y 1 H LEU 221 ? A LEU 245 6 1 Y 1 H PHE 222 ? A PHE 246 7 1 Y 1 L CYS 211 ? B CYS 215 8 1 Y 1 L SER 212 ? B SER 216 9 1 Y 1 C MET 118 ? C MET 1 10 1 Y 1 C SER 143 ? C SER 16 11 1 Y 1 C PRO 144 ? C PRO 17 12 1 Y 1 C ALA 145 ? C ALA 18 13 1 Y 1 C ALA 146 ? C ALA 19 14 1 Y 1 C HIS 147 ? C HIS 20 15 1 Y 1 C ALA 148 ? C ALA 21 16 1 Y 1 C GLU 149 ? C GLU 22 17 1 Y 1 C SER 150 ? C SER 23 18 1 Y 1 C GLU 151 ? C GLU 24 19 1 Y 1 C THR 152 ? C THR 25 20 1 Y 1 C ASP 178 ? C ASP 51 21 1 Y 1 C LEU 178 A C LEU 52 22 1 Y 1 C ASP 178 B C ASP 53 23 1 Y 1 C ILE 178 C C ILE 54 24 1 Y 1 C VAL 178 D C VAL 55 25 1 Y 1 C PRO 178 E C PRO 56 26 1 Y 1 C LEU 178 F C LEU 57 27 1 Y 1 C SER 178 G C SER 58 28 1 Y 1 C SER 178 H C SER 59 29 1 Y 1 C SER 178 I C SER 60 30 1 Y 1 C ASP 178 J C ASP 61 31 1 Y 1 C ALA 178 K C ALA 62 32 1 Y 1 C SER 178 L C SER 63 33 1 Y 1 C SER 178 M C SER 64 34 1 Y 1 C ALA 178 N C ALA 65 35 1 Y 1 C SER 178 O C SER 66 36 1 Y 1 C SER 178 P C SER 67 37 1 Y 1 C GLU 239 ? C GLU 117 38 1 Y 1 C GLY 240 ? C GLY 118 39 1 Y 1 C LEU 241 ? C LEU 119 40 1 Y 1 C GLU 242 ? C GLU 120 41 1 Y 1 C VAL 243 ? C VAL 121 42 1 Y 1 C LEU 244 ? C LEU 122 43 1 Y 1 C PHE 245 ? C PHE 123 44 1 Y 1 C GLN 246 ? C GLN 124 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 BETA-D-MANNOSE BMA 6 ALPHA-D-MANNOSE MAN 7 BETA-D-GALACTOSE GAL 8 'O-SIALIC ACID' SIA 9 water HOH # 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 1 560 560 NAG NAG C . E 4 NAG 2 561 561 NAG NAG C . F 5 BMA 3 562 562 BMA BMA C . G 6 MAN 4 563 563 MAN MAN C . H 6 MAN 5 564 564 MAN MAN C . I 6 MAN 6 565 565 MAN MAN C . J 6 MAN 7 566 566 MAN MAN C . K 4 NAG 1 573 573 NAG NAG C . L 4 NAG 2 574 574 NAG NAG C . M 5 BMA 3 575 575 BMA BMA C . N 6 MAN 4 576 576 MAN MAN C . O 6 MAN 5 577 577 MAN MAN C . P 6 MAN 6 578 578 MAN MAN C . Q 6 MAN 7 579 579 MAN MAN C . R 4 NAG 8 580 580 NAG NAG C . S 7 GAL 9 581 581 GAL GAL C . T 8 SIA 10 582 582 SIA SIA C . U 9 HOH 1 301 6 HOH HOH H . U 9 HOH 2 302 7 HOH HOH H . U 9 HOH 3 303 9 HOH HOH H . U 9 HOH 4 304 11 HOH HOH H . U 9 HOH 5 305 12 HOH HOH H . U 9 HOH 6 306 13 HOH HOH H . U 9 HOH 7 307 14 HOH HOH H . U 9 HOH 8 308 17 HOH HOH H . U 9 HOH 9 309 18 HOH HOH H . U 9 HOH 10 310 25 HOH HOH H . U 9 HOH 11 311 28 HOH HOH H . U 9 HOH 12 312 29 HOH HOH H . U 9 HOH 13 313 34 HOH HOH H . U 9 HOH 14 314 36 HOH HOH H . U 9 HOH 15 315 40 HOH HOH H . U 9 HOH 16 316 41 HOH HOH H . U 9 HOH 17 317 42 HOH HOH H . U 9 HOH 18 318 44 HOH HOH H . U 9 HOH 19 319 49 HOH HOH H . U 9 HOH 20 320 50 HOH HOH H . U 9 HOH 21 321 51 HOH HOH H . U 9 HOH 22 322 55 HOH HOH H . U 9 HOH 23 323 56 HOH HOH H . U 9 HOH 24 324 57 HOH HOH H . U 9 HOH 25 325 58 HOH HOH H . U 9 HOH 26 326 60 HOH HOH H . U 9 HOH 27 327 61 HOH HOH H . U 9 HOH 28 328 63 HOH HOH H . U 9 HOH 29 329 64 HOH HOH H . U 9 HOH 30 330 66 HOH HOH H . U 9 HOH 31 331 67 HOH HOH H . U 9 HOH 32 332 69 HOH HOH H . U 9 HOH 33 333 72 HOH HOH H . U 9 HOH 34 334 73 HOH HOH H . U 9 HOH 35 335 76 HOH HOH H . U 9 HOH 36 336 81 HOH HOH H . U 9 HOH 37 337 83 HOH HOH H . U 9 HOH 38 338 85 HOH HOH H . U 9 HOH 39 339 86 HOH HOH H . U 9 HOH 40 340 87 HOH HOH H . U 9 HOH 41 341 88 HOH HOH H . U 9 HOH 42 342 89 HOH HOH H . U 9 HOH 43 343 98 HOH HOH H . U 9 HOH 44 344 102 HOH HOH H . U 9 HOH 45 345 103 HOH HOH H . U 9 HOH 46 346 108 HOH HOH H . U 9 HOH 47 347 111 HOH HOH H . U 9 HOH 48 348 113 HOH HOH H . U 9 HOH 49 349 114 HOH HOH H . U 9 HOH 50 350 116 HOH HOH H . U 9 HOH 51 351 118 HOH HOH H . U 9 HOH 52 352 124 HOH HOH H . U 9 HOH 53 353 127 HOH HOH H . U 9 HOH 54 354 132 HOH HOH H . U 9 HOH 55 355 134 HOH HOH H . U 9 HOH 56 356 136 HOH HOH H . U 9 HOH 57 357 140 HOH HOH H . U 9 HOH 58 358 146 HOH HOH H . U 9 HOH 59 359 148 HOH HOH H . V 9 HOH 1 301 1 HOH HOH L . V 9 HOH 2 302 2 HOH HOH L . V 9 HOH 3 303 3 HOH HOH L . V 9 HOH 4 304 4 HOH HOH L . V 9 HOH 5 305 5 HOH HOH L . V 9 HOH 6 306 8 HOH HOH L . V 9 HOH 7 307 10 HOH HOH L . V 9 HOH 8 308 15 HOH HOH L . V 9 HOH 9 309 16 HOH HOH L . V 9 HOH 10 310 19 HOH HOH L . V 9 HOH 11 311 20 HOH HOH L . V 9 HOH 12 312 21 HOH HOH L . V 9 HOH 13 313 22 HOH HOH L . V 9 HOH 14 314 23 HOH HOH L . V 9 HOH 15 315 24 HOH HOH L . V 9 HOH 16 316 26 HOH HOH L . V 9 HOH 17 317 27 HOH HOH L . V 9 HOH 18 318 30 HOH HOH L . V 9 HOH 19 319 31 HOH HOH L . V 9 HOH 20 320 32 HOH HOH L . V 9 HOH 21 321 33 HOH HOH L . V 9 HOH 22 322 37 HOH HOH L . V 9 HOH 23 323 38 HOH HOH L . V 9 HOH 24 324 39 HOH HOH L . V 9 HOH 25 325 43 HOH HOH L . V 9 HOH 26 326 45 HOH HOH L . V 9 HOH 27 327 47 HOH HOH L . V 9 HOH 28 328 48 HOH HOH L . V 9 HOH 29 329 52 HOH HOH L . V 9 HOH 30 330 53 HOH HOH L . V 9 HOH 31 331 54 HOH HOH L . V 9 HOH 32 332 59 HOH HOH L . V 9 HOH 33 333 62 HOH HOH L . V 9 HOH 34 334 65 HOH HOH L . V 9 HOH 35 335 68 HOH HOH L . V 9 HOH 36 336 70 HOH HOH L . V 9 HOH 37 337 71 HOH HOH L . V 9 HOH 38 338 75 HOH HOH L . V 9 HOH 39 339 77 HOH HOH L . V 9 HOH 40 340 79 HOH HOH L . V 9 HOH 41 341 80 HOH HOH L . V 9 HOH 42 342 82 HOH HOH L . V 9 HOH 43 343 84 HOH HOH L . V 9 HOH 44 344 90 HOH HOH L . V 9 HOH 45 345 92 HOH HOH L . V 9 HOH 46 346 93 HOH HOH L . V 9 HOH 47 347 94 HOH HOH L . V 9 HOH 48 348 96 HOH HOH L . V 9 HOH 49 349 97 HOH HOH L . V 9 HOH 50 350 99 HOH HOH L . V 9 HOH 51 351 100 HOH HOH L . V 9 HOH 52 352 101 HOH HOH L . V 9 HOH 53 353 105 HOH HOH L . V 9 HOH 54 354 106 HOH HOH L . V 9 HOH 55 355 107 HOH HOH L . V 9 HOH 56 356 110 HOH HOH L . V 9 HOH 57 357 115 HOH HOH L . V 9 HOH 58 358 117 HOH HOH L . V 9 HOH 59 359 119 HOH HOH L . V 9 HOH 60 360 120 HOH HOH L . V 9 HOH 61 361 122 HOH HOH L . V 9 HOH 62 362 123 HOH HOH L . V 9 HOH 63 363 125 HOH HOH L . V 9 HOH 64 364 126 HOH HOH L . V 9 HOH 65 365 128 HOH HOH L . V 9 HOH 66 366 129 HOH HOH L . V 9 HOH 67 367 130 HOH HOH L . V 9 HOH 68 368 133 HOH HOH L . V 9 HOH 69 369 135 HOH HOH L . V 9 HOH 70 370 137 HOH HOH L . V 9 HOH 71 371 139 HOH HOH L . V 9 HOH 72 372 141 HOH HOH L . V 9 HOH 73 373 142 HOH HOH L . V 9 HOH 74 374 143 HOH HOH L . V 9 HOH 75 375 144 HOH HOH L . W 9 HOH 1 401 35 HOH HOH C . W 9 HOH 2 402 46 HOH HOH C . W 9 HOH 3 403 74 HOH HOH C . W 9 HOH 4 404 78 HOH HOH C . W 9 HOH 5 405 91 HOH HOH C . W 9 HOH 6 406 95 HOH HOH C . W 9 HOH 7 407 104 HOH HOH C . W 9 HOH 8 408 109 HOH HOH C . W 9 HOH 9 409 112 HOH HOH C . W 9 HOH 10 410 121 HOH HOH C . W 9 HOH 11 411 131 HOH HOH C . W 9 HOH 12 412 138 HOH HOH C . W 9 HOH 13 413 145 HOH HOH C . W 9 HOH 14 414 147 HOH HOH C . #