NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | program | type | subtype | item_count |
369441 | 1bbn | 4094 | cing | dress | 4-filtered-FRED | STAR | entry | full | 1082 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1bbn # This FRED archive file contains, for PDB entry <1bbn>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1bbn _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1bbn _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 15362.37 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $INTERLEUKIN_4 A . 1 1 stop_ save_ save_INTERLEUKIN_4 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "INTERLEUKIN 4" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code EAEAHKCDITLQEIIKTLNSLTEQKTLCTELTVTDIFAASKDTTEKETFCRAATVLRQFYSHHEKDTRCLGATAQQFHRHKQLIRFLKRLDRNLWGLAGLNSCPVKEADQSTLENFLERLKTIMREKYSKCSS _Entity.Number_of_monomers 133 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLU . 1 1 2 ALA . 1 1 3 GLU . 1 1 4 ALA . 1 1 5 HIS . 1 1 6 LYS . 1 1 7 CYS . 1 1 8 ASP . 1 1 9 ILE . 1 1 10 THR . 1 1 11 LEU . 1 1 12 GLN . 1 1 13 GLU . 1 1 14 ILE . 1 1 15 ILE . 1 1 16 LYS . 1 1 17 THR . 1 1 18 LEU . 1 1 19 ASN . 1 1 20 SER . 1 1 21 LEU . 1 1 22 THR . 1 1 23 GLU . 1 1 24 GLN . 1 1 25 LYS . 1 1 26 THR . 1 1 27 LEU . 1 1 28 CYS . 1 1 29 THR . 1 1 30 GLU . 1 1 31 LEU . 1 1 32 THR . 1 1 33 VAL . 1 1 34 THR . 1 1 35 ASP . 1 1 36 ILE . 1 1 37 PHE . 1 1 38 ALA . 1 1 39 ALA . 1 1 40 SER . 1 1 41 LYS . 1 1 42 ASP . 1 1 43 THR . 1 1 44 THR . 1 1 45 GLU . 1 1 46 LYS . 1 1 47 GLU . 1 1 48 THR . 1 1 49 PHE . 1 1 50 CYS . 1 1 51 ARG . 1 1 52 ALA . 1 1 53 ALA . 1 1 54 THR . 1 1 55 VAL . 1 1 56 LEU . 1 1 57 ARG . 1 1 58 GLN . 1 1 59 PHE . 1 1 60 TYR . 1 1 61 SER . 1 1 62 HIS . 1 1 63 HIS . 1 1 64 GLU . 1 1 65 LYS . 1 1 66 ASP . 1 1 67 THR . 1 1 68 ARG . 1 1 69 CYS . 1 1 70 LEU . 1 1 71 GLY . 1 1 72 ALA . 1 1 73 THR . 1 1 74 ALA . 1 1 75 GLN . 1 1 76 GLN . 1 1 77 PHE . 1 1 78 HIS . 1 1 79 ARG . 1 1 80 HIS . 1 1 81 LYS . 1 1 82 GLN . 1 1 83 LEU . 1 1 84 ILE . 1 1 85 ARG . 1 1 86 PHE . 1 1 87 LEU . 1 1 88 LYS . 1 1 89 ARG . 1 1 90 LEU . 1 1 91 ASP . 1 1 92 ARG . 1 1 93 ASN . 1 1 94 LEU . 1 1 95 TRP . 1 1 96 GLY . 1 1 97 LEU . 1 1 98 ALA . 1 1 99 GLY . 1 1 100 LEU . 1 1 101 ASN . 1 1 102 SER . 1 1 103 CYS . 1 1 104 PRO . 1 1 105 VAL . 1 1 106 LYS . 1 1 107 GLU . 1 1 108 ALA . 1 1 109 ASP . 1 1 110 GLN . 1 1 111 SER . 1 1 112 THR . 1 1 113 LEU . 1 1 114 GLU . 1 1 115 ASN . 1 1 116 PHE . 1 1 117 LEU . 1 1 118 GLU . 1 1 119 ARG . 1 1 120 LEU . 1 1 121 LYS . 1 1 122 THR . 1 1 123 ILE . 1 1 124 MET . 1 1 125 ARG . 1 1 126 GLU . 1 1 127 LYS . 1 1 128 TYR . 1 1 129 SER . 1 1 130 LYS . 1 1 131 CYS . 1 1 132 SER . 1 1 133 SER . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLU 1 1 1 1 ALA 2 2 1 1 GLU 3 3 1 1 ALA 4 4 1 1 HIS 5 5 1 1 LYS 6 6 1 1 CYS 7 7 1 1 ASP 8 8 1 1 ILE 9 9 1 1 THR 10 10 1 1 LEU 11 11 1 1 GLN 12 12 1 1 GLU 13 13 1 1 ILE 14 14 1 1 ILE 15 15 1 1 LYS 16 16 1 1 THR 17 17 1 1 LEU 18 18 1 1 ASN 19 19 1 1 SER 20 20 1 1 LEU 21 21 1 1 THR 22 22 1 1 GLU 23 23 1 1 GLN 24 24 1 1 LYS 25 25 1 1 THR 26 26 1 1 LEU 27 27 1 1 CYS 28 28 1 1 THR 29 29 1 1 GLU 30 30 1 1 LEU 31 31 1 1 THR 32 32 1 1 VAL 33 33 1 1 THR 34 34 1 1 ASP 35 35 1 1 ILE 36 36 1 1 PHE 37 37 1 1 ALA 38 38 1 1 ALA 39 39 1 1 SER 40 40 1 1 LYS 41 41 1 1 ASP 42 42 1 1 THR 43 43 1 1 THR 44 44 1 1 GLU 45 45 1 1 LYS 46 46 1 1 GLU 47 47 1 1 THR 48 48 1 1 PHE 49 49 1 1 CYS 50 50 1 1 ARG 51 51 1 1 ALA 52 52 1 1 ALA 53 53 1 1 THR 54 54 1 1 VAL 55 55 1 1 LEU 56 56 1 1 ARG 57 57 1 1 GLN 58 58 1 1 PHE 59 59 1 1 TYR 60 60 1 1 SER 61 61 1 1 HIS 62 62 1 1 HIS 63 63 1 1 GLU 64 64 1 1 LYS 65 65 1 1 ASP 66 66 1 1 THR 67 67 1 1 ARG 68 68 1 1 CYS 69 69 1 1 LEU 70 70 1 1 GLY 71 71 1 1 ALA 72 72 1 1 THR 73 73 1 1 ALA 74 74 1 1 GLN 75 75 1 1 GLN 76 76 1 1 PHE 77 77 1 1 HIS 78 78 1 1 ARG 79 79 1 1 HIS 80 80 1 1 LYS 81 81 1 1 GLN 82 82 1 1 LEU 83 83 1 1 ILE 84 84 1 1 ARG 85 85 1 1 PHE 86 86 1 1 LEU 87 87 1 1 LYS 88 88 1 1 ARG 89 89 1 1 LEU 90 90 1 1 ASP 91 91 1 1 ARG 92 92 1 1 ASN 93 93 1 1 LEU 94 94 1 1 TRP 95 95 1 1 GLY 96 96 1 1 LEU 97 97 1 1 ALA 98 98 1 1 GLY 99 99 1 1 LEU 100 100 1 1 ASN 101 101 1 1 SER 102 102 1 1 CYS 103 103 1 1 PRO 104 104 1 1 VAL 105 105 1 1 LYS 106 106 1 1 GLU 107 107 1 1 ALA 108 108 1 1 ASP 109 109 1 1 GLN 110 110 1 1 SER 111 111 1 1 THR 112 112 1 1 LEU 113 113 1 1 GLU 114 114 1 1 ASN 115 115 1 1 PHE 116 116 1 1 LEU 117 117 1 1 GLU 118 118 1 1 ARG 119 119 1 1 LEU 120 120 1 1 LYS 121 121 1 1 THR 122 122 1 1 ILE 123 123 1 1 MET 124 124 1 1 ARG 125 125 1 1 GLU 126 126 1 1 LYS 127 127 1 1 TYR 128 128 1 1 SER 129 129 1 1 LYS 130 130 1 1 CYS 131 131 1 1 SER 132 132 1 1 SER 133 133 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 310 1 . . . 1 1 311 1 . . . 1 1 312 1 . . . 1 1 313 1 . . . 1 1 314 1 . . . 1 1 315 1 . . . 1 1 316 1 . . . 1 1 317 1 . . . 1 1 318 1 . . . 1 1 319 1 . . . 1 1 320 1 . . . 1 1 321 1 . . . 1 1 322 1 . . . 1 1 323 1 . . . 1 1 324 1 . . . 1 1 325 1 . . . 1 1 326 1 . . . 1 1 327 1 . . . 1 1 328 1 . . . 1 1 329 1 . . . 1 1 330 1 . . . 1 1 331 1 . . . 1 1 332 1 . . . 1 1 333 1 . . . 1 1 334 1 . . . 1 1 335 1 . . . 1 1 336 1 . . . 1 1 337 1 . . . 1 1 338 1 . . . 1 1 339 1 . . . 1 1 340 1 . . . 1 1 341 1 . . . 1 1 342 1 . . . 1 1 343 1 . . . 1 1 344 1 . . . 1 1 345 1 . . . 1 1 346 1 . . . 1 1 347 1 . . . 1 1 348 1 . . . 1 1 349 1 . . . 1 1 350 1 . . . 1 1 351 1 . . . 1 1 352 1 . . . 1 1 353 1 . . . 1 1 354 1 . . . 1 1 355 1 . . . 1 1 356 1 . . . 1 1 357 1 . . . 1 1 358 1 . . . 1 1 359 1 . . . 1 1 360 1 . . . 1 1 361 1 . . . 1 1 362 1 . . . 1 1 363 1 . . . 1 1 364 1 . . . 1 1 365 1 . . . 1 1 366 1 . . . 1 1 367 1 . . . 1 1 368 1 . . . 1 1 369 1 . . . 1 1 370 1 . . . 1 1 371 1 . . . 1 1 372 1 . . . 1 1 373 1 . . . 1 1 374 1 . . . 1 1 375 1 . . . 1 1 376 1 . . . 1 1 377 1 . . . 1 1 378 1 . . . 1 1 379 1 . . . 1 1 380 1 . . . 1 1 381 1 . . . 1 1 382 1 . . . 1 1 383 1 . . . 1 1 384 1 . . . 1 1 385 1 . . . 1 1 386 1 . . . 1 1 387 1 . . . 1 1 388 1 . . . 1 1 389 1 . . . 1 1 390 1 . . . 1 1 391 1 . . . 1 1 392 1 . . . 1 1 393 1 . . . 1 1 394 1 . . . 1 1 395 1 . . . 1 1 396 1 . . . 1 1 397 1 . . . 1 1 398 1 . . . 1 1 399 1 . . . 1 1 400 1 . . . 1 1 401 1 . . . 1 1 402 1 . . . 1 1 403 1 . . . 1 1 404 1 . . . 1 1 405 1 . . . 1 1 406 1 . . . 1 1 407 1 . . . 1 1 408 1 . . . 1 1 409 1 . . . 1 1 410 1 . . . 1 1 411 1 . . . 1 1 412 1 . . . 1 1 413 1 . . . 1 1 414 1 . . . 1 1 415 1 . . . 1 1 416 1 . . . 1 1 417 1 . . . 1 1 418 1 . . . 1 1 419 1 . . . 1 1 420 1 . . . 1 1 421 1 . . . 1 1 422 1 . . . 1 1 423 1 . . . 1 1 424 1 . . . 1 1 425 1 . . . 1 1 426 1 . . . 1 1 427 1 . . . 1 1 428 1 . . . 1 1 429 1 . . . 1 1 430 1 . . . 1 1 431 1 . . . 1 1 432 1 . . . 1 1 433 1 . . . 1 1 434 1 . . . 1 1 435 1 . . . 1 1 436 1 . . . 1 1 437 1 . . . 1 1 438 1 . . . 1 1 439 1 . . . 1 1 440 1 . . . 1 1 441 1 . . . 1 1 442 1 . . . 1 1 443 1 . . . 1 1 444 1 . . . 1 1 445 1 . . . 1 1 446 1 . . . 1 1 447 1 . . . 1 1 448 1 . . . 1 1 449 1 . . . 1 1 450 1 . . . 1 1 451 1 . . . 1 1 452 1 . . . 1 1 453 1 . . . 1 1 454 1 . . . 1 1 455 1 . . . 1 1 456 1 . . . 1 1 457 1 . . . 1 1 458 1 . . . 1 1 459 1 . . . 1 1 460 1 . . . 1 1 461 1 . . . 1 1 462 1 . . . 1 1 463 1 . . . 1 1 464 1 . . . 1 1 465 1 . . . 1 1 466 1 . . . 1 1 467 1 . . . 1 1 468 1 . . . 1 1 469 1 . . . 1 1 470 1 . . . 1 1 471 1 . . . 1 1 472 1 . . . 1 1 473 1 . . . 1 1 474 1 . . . 1 1 475 1 . . . 1 1 476 1 . . . 1 1 477 1 . . . 1 1 478 1 . . . 1 1 479 1 . . . 1 1 480 1 . . . 1 1 481 1 . . . 1 1 482 1 . . . 1 1 483 1 . . . 1 1 484 1 . . . 1 1 485 1 . . . 1 1 486 1 . . . 1 1 487 1 . . . 1 1 488 1 . . . 1 1 489 1 . . . 1 1 490 1 . . . 1 1 491 1 . . . 1 1 492 1 . . . 1 1 493 1 . . . 1 1 494 1 . . . 1 1 495 1 . . . 1 1 496 1 . . . 1 1 497 1 . . . 1 1 498 1 . . . 1 1 499 1 . . . 1 1 500 1 . . . 1 1 501 1 . . . 1 1 502 1 . . . 1 1 503 1 . . . 1 1 504 1 . . . 1 1 505 1 . . . 1 1 506 1 . . . 1 1 507 1 . . . 1 1 508 1 . . . 1 1 509 1 . . . 1 1 510 1 . . . 1 1 511 1 . . . 1 1 512 1 . . . 1 1 513 1 . . . 1 1 514 1 . . . 1 1 515 1 . . . 1 1 516 1 . . . 1 1 517 1 . . . 1 1 518 1 . . . 1 1 519 1 . . . 1 1 520 1 . . . 1 1 521 1 . . . 1 1 522 1 . . . 1 1 523 1 . . . 1 1 524 1 . . . 1 1 525 1 . . . 1 1 526 1 . . . 1 1 527 1 . . . 1 1 528 1 . . . 1 1 529 1 . . . 1 1 530 1 . . . 1 1 531 1 . . . 1 1 532 1 . . . 1 1 533 1 . . . 1 1 534 1 . . . 1 1 535 1 . . . 1 1 536 1 . . . 1 1 537 1 . . . 1 1 538 1 . . . 1 1 539 1 . . . 1 1 540 1 . . . 1 1 541 1 . . . 1 1 542 1 . . . 1 1 543 1 . . . 1 1 544 1 . . . 1 1 545 1 . . . 1 1 546 1 . . . 1 1 547 1 . . . 1 1 548 1 . . . 1 1 549 1 . . . 1 1 550 1 . . . 1 1 551 1 . . . 1 1 552 1 . . . 1 1 553 1 . . . 1 1 554 1 . . . 1 1 555 1 . . . 1 1 556 1 . . . 1 1 557 1 . . . 1 1 558 1 . . . 1 1 559 1 . . . 1 1 560 1 . . . 1 1 561 1 . . . 1 1 562 1 . . . 1 1 563 1 . . . 1 1 564 1 . . . 1 1 565 1 . . . 1 1 566 1 . . . 1 1 567 1 . . . 1 1 568 1 . . . 1 1 569 1 . . . 1 1 570 1 . . . 1 1 571 1 . . . 1 1 572 1 . . . 1 1 573 1 . . . 1 1 574 1 . . . 1 1 575 1 . . . 1 1 576 1 . . . 1 1 577 1 . . . 1 1 578 1 . . . 1 1 579 1 . . . 1 1 580 1 . . . 1 1 581 1 . . . 1 1 582 1 . . . 1 1 583 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 GLU QB . 3 . HB# 1 1 1 1 2 1 1 4 ALA H . 4 . HN 1 1 2 1 1 1 1 4 ALA HA . 4 . HA 1 1 2 1 2 1 1 5 HIS H . 5 . HN 1 1 3 1 1 1 1 6 LYS QB . 6 . HB# 1 1 3 1 2 1 1 7 CYS H . 7 . HN 1 1 4 1 1 1 1 6 LYS HA . 6 . HA 1 1 4 1 2 1 1 7 CYS H . 7 . HN 1 1 5 1 1 1 1 7 CYS H . 7 . HN 1 1 5 1 2 1 1 8 ASP H . 8 . HN 1 1 6 1 1 1 1 8 ASP QB . 8 . HB# 1 1 6 1 2 1 1 9 ILE H . 9 . HN 1 1 7 1 1 1 1 8 ASP HA . 8 . HA 1 1 7 1 2 1 1 9 ILE H . 9 . HN 1 1 8 1 1 1 1 9 ILE HB . 9 . HB# 1 1 8 1 2 1 1 10 THR H . 10 . HN 1 1 9 1 1 1 1 9 ILE MG . 9 . HG2# 1 1 9 1 2 1 1 10 THR HA . 10 . HA 1 1 10 1 1 1 1 9 ILE H . 9 . HN 1 1 10 1 2 1 1 10 THR H . 10 . HN 1 1 11 1 1 1 1 10 THR HB . 10 . HB# 1 1 11 1 2 1 1 11 LEU H . 11 . HN 1 1 12 1 1 1 1 10 THR H . 10 . HN 1 1 12 1 2 1 1 11 LEU H . 11 . HN 1 1 13 1 1 1 1 11 LEU QB . 11 . HB# 1 1 13 1 2 1 1 12 GLN H . 12 . HN 1 1 14 1 1 1 1 11 LEU HA . 11 . HA 1 1 14 1 2 1 1 12 GLN H . 12 . HN 1 1 15 1 1 1 1 11 LEU H . 11 . HN 1 1 15 1 2 1 1 12 GLN H . 12 . HN 1 1 16 1 1 1 1 12 GLN QB . 12 . HB# 1 1 16 1 2 1 1 13 GLU H . 13 . HN 1 1 17 1 1 1 1 12 GLN HA . 12 . HA 1 1 17 1 2 1 1 13 GLU H . 13 . HN 1 1 18 1 1 1 1 12 GLN H . 12 . HN 1 1 18 1 2 1 1 13 GLU H . 13 . HN 1 1 19 1 1 1 1 13 GLU QB . 13 . HB# 1 1 19 1 2 1 1 14 ILE H . 14 . HN 1 1 20 1 1 1 1 13 GLU H . 13 . HN 1 1 20 1 2 1 1 14 ILE H . 14 . HN 1 1 21 1 1 1 1 14 ILE HB . 14 . HB# 1 1 21 1 2 1 1 15 ILE H . 15 . HN 1 1 22 1 1 1 1 14 ILE H . 14 . HN 1 1 22 1 2 1 1 15 ILE H . 15 . HN 1 1 23 1 1 1 1 15 ILE HB . 15 . HB# 1 1 23 1 2 1 1 16 LYS H . 16 . HN 1 1 24 1 1 1 1 15 ILE HA . 15 . HA 1 1 24 1 2 1 1 16 LYS H . 16 . HN 1 1 25 1 1 1 1 15 ILE H . 15 . HN 1 1 25 1 2 1 1 16 LYS H . 16 . HN 1 1 26 1 1 1 1 16 LYS QB . 16 . HB# 1 1 26 1 2 1 1 17 THR H . 17 . HN 1 1 27 1 1 1 1 16 LYS HA . 16 . HA 1 1 27 1 2 1 1 17 THR H . 17 . HN 1 1 28 1 1 1 1 16 LYS H . 16 . HN 1 1 28 1 2 1 1 17 THR H . 17 . HN 1 1 29 1 1 1 1 17 THR HB . 17 . HB# 1 1 29 1 2 1 1 18 LEU H . 18 . HN 1 1 30 1 1 1 1 17 THR H . 17 . HN 1 1 30 1 2 1 1 18 LEU H . 18 . HN 1 1 31 1 1 1 1 18 LEU QB . 18 . HB# 1 1 31 1 2 1 1 19 ASN H . 19 . HN 1 1 32 1 1 1 1 18 LEU H . 18 . HN 1 1 32 1 2 1 1 19 ASN H . 19 . HN 1 1 33 1 1 1 1 19 ASN QB . 19 . HB# 1 1 33 1 2 1 1 20 SER H . 20 . HN 1 1 34 1 1 1 1 19 ASN H . 19 . HN 1 1 34 1 2 1 1 20 SER H . 20 . HN 1 1 35 1 1 1 1 20 SER QB . 20 . HB# 1 1 35 1 2 1 1 21 LEU H . 21 . HN 1 1 36 1 1 1 1 20 SER HA . 20 . HA 1 1 36 1 2 1 1 21 LEU H . 21 . HN 1 1 37 1 1 1 1 20 SER H . 20 . HN 1 1 37 1 2 1 1 21 LEU H . 21 . HN 1 1 38 1 1 1 1 21 LEU QB . 21 . HB# 1 1 38 1 2 1 1 22 THR H . 22 . HN 1 1 39 1 1 1 1 21 LEU HA . 21 . HA 1 1 39 1 2 1 1 22 THR H . 22 . HN 1 1 40 1 1 1 1 21 LEU H . 21 . HN 1 1 40 1 2 1 1 22 THR H . 22 . HN 1 1 41 1 1 1 1 22 THR HB . 22 . HB 1 1 41 1 2 1 1 23 GLU H . 23 . HN 1 1 42 1 1 1 1 22 THR HA . 22 . HA 1 1 42 1 2 1 1 23 GLU H . 23 . HN 1 1 43 1 1 1 1 22 THR H . 22 . HN 1 1 43 1 2 1 1 23 GLU H . 23 . HN 1 1 44 1 1 1 1 23 GLU HA . 23 . HA 1 1 44 1 2 1 1 24 GLN H . 24 . HN 1 1 45 1 1 1 1 23 GLU H . 23 . HN 1 1 45 1 2 1 1 24 GLN H . 24 . HN 1 1 46 1 1 1 1 24 GLN QB . 24 . HB# 1 1 46 1 2 1 1 25 LYS H . 25 . HN 1 1 47 1 1 1 1 24 GLN HA . 24 . HA 1 1 47 1 2 1 1 25 LYS H . 25 . HN 1 1 48 1 1 1 1 24 GLN H . 24 . HN 1 1 48 1 2 1 1 25 LYS H . 25 . HN 1 1 49 1 1 1 1 25 LYS QB . 25 . HB# 1 1 49 1 2 1 1 26 THR H . 26 . HN 1 1 50 1 1 1 1 25 LYS HA . 25 . HA 1 1 50 1 2 1 1 26 THR H . 26 . HN 1 1 51 1 1 1 1 26 THR HA . 26 . HA 1 1 51 1 2 1 1 27 LEU H . 27 . HN 1 1 52 1 1 1 1 27 LEU HA . 27 . HA 1 1 52 1 2 1 1 28 CYS H . 28 . HN 1 1 53 1 1 1 1 28 CYS QB . 28 . HB# 1 1 53 1 2 1 1 29 THR H . 29 . HN 1 1 54 1 1 1 1 28 CYS H . 28 . HN 1 1 54 1 2 1 1 29 THR H . 29 . HN 1 1 55 1 1 1 1 29 THR MG . 29 . HG2# 1 1 55 1 2 1 1 30 GLU QG . 30 . HG# 1 1 56 1 1 1 1 31 LEU QB . 31 . HB# 1 1 56 1 2 1 1 32 THR H . 32 . HN 1 1 57 1 1 1 1 31 LEU H . 31 . HN 1 1 57 1 2 1 1 32 THR H . 32 . HN 1 1 58 1 1 1 1 31 LEU HA . 31 . HA 1 1 58 1 2 1 1 32 THR MG . 32 . HG2# 1 1 59 1 1 1 1 32 THR HB . 32 . HB# 1 1 59 1 2 1 1 33 VAL H . 33 . HN 1 1 60 1 1 1 1 32 THR HA . 32 . HA 1 1 60 1 2 1 1 33 VAL H . 33 . HN 1 1 61 1 1 1 1 32 THR H . 32 . HN 1 1 61 1 2 1 1 33 VAL H . 33 . HN 1 1 62 1 1 1 1 32 THR HA . 32 . HA 1 1 62 1 2 1 1 33 VAL QG . 33 . HG* 1 1 63 1 1 1 1 33 VAL HB . 33 . HB 1 1 63 1 2 1 1 34 THR H . 34 . HN 1 1 64 1 1 1 1 34 THR HB . 34 . HB# 1 1 64 1 2 1 1 35 ASP H . 35 . HN 1 1 65 1 1 1 1 34 THR HA . 34 . HA 1 1 65 1 2 1 1 35 ASP H . 35 . HN 1 1 66 1 1 1 1 34 THR H . 34 . HN 1 1 66 1 2 1 1 35 ASP H . 35 . HN 1 1 67 1 1 1 1 36 ILE H . 36 . HN 1 1 67 1 2 1 1 37 PHE H . 37 . HN 1 1 68 1 1 1 1 36 ILE QG . 36 . HG1# 1 1 68 1 2 1 1 37 PHE HA . 37 . HA 1 1 69 1 1 1 1 36 ILE MD . 36 . HD# 1 1 69 1 2 1 1 37 PHE HA . 37 . HA 1 1 70 1 1 1 1 36 ILE MD . 36 . HD# 1 1 70 1 2 1 1 37 PHE QE . 37 . HE# 1 1 71 1 1 1 1 36 ILE QG . 36 . HG1# 1 1 71 1 2 1 1 37 PHE QE . 37 . HE# 1 1 72 1 1 1 1 36 ILE MG . 36 . HG2# 1 1 72 1 2 1 1 37 PHE QE . 37 . HE# 1 1 73 1 1 1 1 36 ILE MG . 36 . HG2# 1 1 73 1 2 1 1 37 PHE QD . 37 . HD# 1 1 74 1 1 1 1 36 ILE QG . 36 . HG1# 1 1 74 1 2 1 1 37 PHE QD . 37 . HD# 1 1 75 1 1 1 1 36 ILE MD . 36 . HD# 1 1 75 1 2 1 1 37 PHE HZ . 37 . HZ 1 1 76 1 1 1 1 36 ILE QG . 36 . HG1# 1 1 76 1 2 1 1 37 PHE HZ . 37 . HZ 1 1 77 1 1 1 1 36 ILE MG . 36 . HG2# 1 1 77 1 2 1 1 37 PHE HZ . 37 . HZ 1 1 78 1 1 1 1 37 PHE QB . 37 . HB# 1 1 78 1 2 1 1 38 ALA H . 38 . HN 1 1 79 1 1 1 1 37 PHE HA . 37 . HA 1 1 79 1 2 1 1 38 ALA H . 38 . HN 1 1 80 1 1 1 1 37 PHE H . 37 . HN 1 1 80 1 2 1 1 38 ALA H . 38 . HN 1 1 81 1 1 1 1 38 ALA HA . 38 . HA 1 1 81 1 2 1 1 39 ALA H . 39 . HN 1 1 82 1 1 1 1 38 ALA H . 38 . HN 1 1 82 1 2 1 1 39 ALA H . 39 . HN 1 1 83 1 1 1 1 39 ALA MB . 39 . HB# 1 1 83 1 2 1 1 40 SER H . 40 . HN 1 1 84 1 1 1 1 39 ALA HA . 39 . HA 1 1 84 1 2 1 1 40 SER H . 40 . HN 1 1 85 1 1 1 1 40 SER H . 40 . HN 1 1 85 1 2 1 1 41 LYS H . 41 . HN 1 1 86 1 1 1 1 41 LYS QB . 41 . HB# 1 1 86 1 2 1 1 42 ASP H . 42 . HN 1 1 87 1 1 1 1 42 ASP QB . 42 . HB# 1 1 87 1 2 1 1 43 THR H . 43 . HN 1 1 88 1 1 1 1 42 ASP H . 42 . HN 1 1 88 1 2 1 1 43 THR H . 43 . HN 1 1 89 1 1 1 1 43 THR HB . 43 . HB# 1 1 89 1 2 1 1 44 THR H . 44 . HN 1 1 90 1 1 1 1 44 THR HA . 44 . HA 1 1 90 1 2 1 1 45 GLU H . 45 . HN 1 1 91 1 1 1 1 44 THR H . 44 . HN 1 1 91 1 2 1 1 45 GLU H . 45 . HN 1 1 92 1 1 1 1 46 LYS H . 46 . HN 1 1 92 1 2 1 1 47 GLU H . 47 . HN 1 1 93 1 1 1 1 47 GLU QB . 47 . HB# 1 1 93 1 2 1 1 48 THR H . 48 . HN 1 1 94 1 1 1 1 47 GLU HA . 47 . HA 1 1 94 1 2 1 1 48 THR H . 48 . HN 1 1 95 1 1 1 1 47 GLU H . 47 . HN 1 1 95 1 2 1 1 48 THR H . 48 . HN 1 1 96 1 1 1 1 48 THR HA . 48 . HA 1 1 96 1 2 1 1 49 PHE H . 49 . HN 1 1 97 1 1 1 1 48 THR H . 48 . HN 1 1 97 1 2 1 1 49 PHE H . 49 . HN 1 1 98 1 1 1 1 48 THR HB . 48 . HB# 1 1 98 1 2 1 1 49 PHE QD . 49 . HD# 1 1 99 1 1 1 1 48 THR MG . 48 . HG2# 1 1 99 1 2 1 1 49 PHE QD . 49 . HD# 1 1 100 1 1 1 1 49 PHE QB . 49 . HB# 1 1 100 1 2 1 1 50 CYS H . 50 . HN 1 1 101 1 1 1 1 49 PHE HA . 49 . HA 1 1 101 1 2 1 1 50 CYS H . 50 . HN 1 1 102 1 1 1 1 49 PHE H . 49 . HN 1 1 102 1 2 1 1 50 CYS H . 50 . HN 1 1 103 1 1 1 1 50 CYS QB . 50 . HB# 1 1 103 1 2 1 1 51 ARG H . 51 . HN 1 1 104 1 1 1 1 50 CYS H . 50 . HN 1 1 104 1 2 1 1 51 ARG H . 51 . HN 1 1 105 1 1 1 1 51 ARG QB . 51 . HB# 1 1 105 1 2 1 1 52 ALA H . 52 . HN 1 1 106 1 1 1 1 51 ARG H . 51 . HN 1 1 106 1 2 1 1 52 ALA H . 52 . HN 1 1 107 1 1 1 1 52 ALA MB . 52 . HB# 1 1 107 1 2 1 1 53 ALA H . 53 . HN 1 1 108 1 1 1 1 52 ALA HA . 52 . HA 1 1 108 1 2 1 1 53 ALA H . 53 . HN 1 1 109 1 1 1 1 52 ALA H . 52 . HN 1 1 109 1 2 1 1 53 ALA H . 53 . HN 1 1 110 1 1 1 1 53 ALA HA . 53 . HA 1 1 110 1 2 1 1 54 THR H . 54 . HN 1 1 111 1 1 1 1 53 ALA H . 53 . HN 1 1 111 1 2 1 1 54 THR H . 54 . HN 1 1 112 1 1 1 1 54 THR H . 54 . HN 1 1 112 1 2 1 1 55 VAL H . 55 . HN 1 1 113 1 1 1 1 54 THR MG . 54 . HG2# 1 1 113 1 2 1 1 55 VAL HA . 55 . HA 1 1 114 1 1 1 1 55 VAL HB . 55 . HB# 1 1 114 1 2 1 1 56 LEU H . 56 . HN 1 1 115 1 1 1 1 55 VAL HA . 55 . HA 1 1 115 1 2 1 1 56 LEU H . 56 . HN 1 1 116 1 1 1 1 55 VAL H . 55 . HN 1 1 116 1 2 1 1 56 LEU H . 56 . HN 1 1 117 1 1 1 1 57 ARG H . 57 . HN 1 1 117 1 2 1 1 58 GLN H . 58 . HN 1 1 118 1 1 1 1 58 GLN QB . 58 . HB# 1 1 118 1 2 1 1 59 PHE H . 59 . HN 1 1 119 1 1 1 1 58 GLN HA . 58 . HA 1 1 119 1 2 1 1 59 PHE H . 59 . HN 1 1 120 1 1 1 1 58 GLN H . 58 . HN 1 1 120 1 2 1 1 59 PHE H . 59 . HN 1 1 121 1 1 1 1 59 PHE QB . 59 . HB# 1 1 121 1 2 1 1 60 TYR H . 60 . HN 1 1 122 1 1 1 1 59 PHE H . 59 . HN 1 1 122 1 2 1 1 60 TYR H . 60 . HN 1 1 123 1 1 1 1 59 PHE QD . 59 . HD# 1 1 123 1 2 1 1 60 TYR QB . 60 . HB# 1 1 124 1 1 1 1 60 TYR QB . 60 . HB# 1 1 124 1 2 1 1 61 SER H . 61 . HN 1 1 125 1 1 1 1 60 TYR HA . 60 . HA 1 1 125 1 2 1 1 61 SER H . 61 . HN 1 1 126 1 1 1 1 60 TYR H . 60 . HN 1 1 126 1 2 1 1 61 SER H . 61 . HN 1 1 127 1 1 1 1 60 TYR QD . 60 . HD# 1 1 127 1 2 1 1 61 SER HA . 61 . HA 1 1 128 1 1 1 1 61 SER QB . 61 . HB# 1 1 128 1 2 1 1 62 HIS H . 62 . HN 1 1 129 1 1 1 1 61 SER H . 61 . HN 1 1 129 1 2 1 1 62 HIS H . 62 . HN 1 1 130 1 1 1 1 62 HIS QB . 62 . HB# 1 1 130 1 2 1 1 63 HIS H . 63 . HN 1 1 131 1 1 1 1 62 HIS H . 62 . HN 1 1 131 1 2 1 1 63 HIS H . 63 . HN 1 1 132 1 1 1 1 63 HIS QB . 63 . HB# 1 1 132 1 2 1 1 64 GLU H . 64 . HN 1 1 133 1 1 1 1 63 HIS HA . 63 . HA 1 1 133 1 2 1 1 64 GLU H . 64 . HN 1 1 134 1 1 1 1 63 HIS H . 63 . HN 1 1 134 1 2 1 1 64 GLU H . 64 . HN 1 1 135 1 1 1 1 67 THR HA . 67 . HA 1 1 135 1 2 1 1 68 ARG H . 68 . HN 1 1 136 1 1 1 1 68 ARG QB . 68 . HB# 1 1 136 1 2 1 1 69 CYS H . 69 . HN 1 1 137 1 1 1 1 68 ARG HA . 68 . HA 1 1 137 1 2 1 1 69 CYS H . 69 . HN 1 1 138 1 1 1 1 68 ARG H . 68 . HN 1 1 138 1 2 1 1 69 CYS H . 69 . HN 1 1 139 1 1 1 1 69 CYS QB . 69 . HB# 1 1 139 1 2 1 1 70 LEU H . 70 . HN 1 1 140 1 1 1 1 69 CYS HA . 69 . HA 1 1 140 1 2 1 1 70 LEU H . 70 . HN 1 1 141 1 1 1 1 69 CYS H . 69 . HN 1 1 141 1 2 1 1 70 LEU H . 70 . HN 1 1 142 1 1 1 1 70 LEU QB . 70 . HB# 1 1 142 1 2 1 1 71 GLY H . 71 . HN 1 1 143 1 1 1 1 70 LEU H . 70 . HN 1 1 143 1 2 1 1 71 GLY H . 71 . HN 1 1 144 1 1 1 1 71 GLY QA . 71 . HA# 1 1 144 1 2 1 1 72 ALA H . 72 . HN 1 1 145 1 1 1 1 71 GLY H . 71 . HN 1 1 145 1 2 1 1 72 ALA H . 72 . HN 1 1 146 1 1 1 1 72 ALA MB . 72 . HB# 1 1 146 1 2 1 1 73 THR H . 73 . HN 1 1 147 1 1 1 1 72 ALA H . 72 . HN 1 1 147 1 2 1 1 73 THR H . 73 . HN 1 1 148 1 1 1 1 75 GLN QB . 75 . HB# 1 1 148 1 2 1 1 76 GLN H . 76 . HN 1 1 149 1 1 1 1 76 GLN QB . 76 . HB# 1 1 149 1 2 1 1 77 PHE H . 77 . HN 1 1 150 1 1 1 1 76 GLN HA . 76 . HA 1 1 150 1 2 1 1 77 PHE H . 77 . HN 1 1 151 1 1 1 1 76 GLN H . 76 . HN 1 1 151 1 2 1 1 77 PHE H . 77 . HN 1 1 152 1 1 1 1 77 PHE QB . 77 . HB# 1 1 152 1 2 1 1 78 HIS H . 78 . HN 1 1 153 1 1 1 1 77 PHE HA . 77 . HA 1 1 153 1 2 1 1 78 HIS H . 78 . HN 1 1 154 1 1 1 1 78 HIS QB . 78 . HB# 1 1 154 1 2 1 1 79 ARG H . 79 . HN 1 1 155 1 1 1 1 78 HIS HA . 78 . HA 1 1 155 1 2 1 1 79 ARG H . 79 . HN 1 1 156 1 1 1 1 78 HIS H . 78 . HN 1 1 156 1 2 1 1 79 ARG H . 79 . HN 1 1 157 1 1 1 1 79 ARG QB . 79 . HB# 1 1 157 1 2 1 1 80 HIS H . 80 . HN 1 1 158 1 1 1 1 79 ARG HA . 79 . HA 1 1 158 1 2 1 1 80 HIS H . 80 . HN 1 1 159 1 1 1 1 79 ARG H . 79 . HN 1 1 159 1 2 1 1 80 HIS H . 80 . HN 1 1 160 1 1 1 1 80 HIS QB . 80 . HB# 1 1 160 1 2 1 1 81 LYS H . 81 . HN 1 1 161 1 1 1 1 80 HIS H . 80 . HN 1 1 161 1 2 1 1 81 LYS H . 81 . HN 1 1 162 1 1 1 1 81 LYS QB . 81 . HB# 1 1 162 1 2 1 1 82 GLN H . 82 . HN 1 1 163 1 1 1 1 81 LYS HA . 81 . HA 1 1 163 1 2 1 1 82 GLN H . 82 . HN 1 1 164 1 1 1 1 81 LYS H . 81 . HN 1 1 164 1 2 1 1 82 GLN H . 82 . HN 1 1 165 1 1 1 1 82 GLN QB . 82 . HB# 1 1 165 1 2 1 1 83 LEU H . 83 . HN 1 1 166 1 1 1 1 82 GLN HA . 82 . HA 1 1 166 1 2 1 1 83 LEU H . 83 . HN 1 1 167 1 1 1 1 83 LEU QB . 83 . HB# 1 1 167 1 2 1 1 84 ILE H . 84 . HN 1 1 168 1 1 1 1 83 LEU H . 83 . HN 1 1 168 1 2 1 1 84 ILE H . 84 . HN 1 1 169 1 1 1 1 84 ILE HB . 84 . HB# 1 1 169 1 2 1 1 85 ARG H . 85 . HN 1 1 170 1 1 1 1 84 ILE HA . 84 . HA 1 1 170 1 2 1 1 85 ARG H . 85 . HN 1 1 171 1 1 1 1 84 ILE H . 84 . HN 1 1 171 1 2 1 1 85 ARG H . 85 . HN 1 1 172 1 1 1 1 85 ARG QB . 85 . HB# 1 1 172 1 2 1 1 86 PHE H . 86 . HN 1 1 173 1 1 1 1 85 ARG HA . 85 . HA 1 1 173 1 2 1 1 86 PHE H . 86 . HN 1 1 174 1 1 1 1 85 ARG H . 85 . HN 1 1 174 1 2 1 1 86 PHE H . 86 . HN 1 1 175 1 1 1 1 86 PHE QB . 86 . HB# 1 1 175 1 2 1 1 87 LEU H . 87 . HN 1 1 176 1 1 1 1 86 PHE HA . 86 . HA 1 1 176 1 2 1 1 87 LEU H . 87 . HN 1 1 177 1 1 1 1 86 PHE H . 86 . HN 1 1 177 1 2 1 1 87 LEU H . 87 . HN 1 1 178 1 1 1 1 87 LEU QB . 87 . HB# 1 1 178 1 2 1 1 88 LYS H . 88 . HN 1 1 179 1 1 1 1 87 LEU HA . 87 . HA 1 1 179 1 2 1 1 88 LYS H . 88 . HN 1 1 180 1 1 1 1 87 LEU H . 87 . HN 1 1 180 1 2 1 1 88 LYS H . 88 . HN 1 1 181 1 1 1 1 87 LEU QD . 87 . HD* 1 1 181 1 2 1 1 88 LYS HG3 . 88 . HG1 1 1 182 1 1 1 1 87 LEU QD . 87 . HD* 1 1 182 1 2 1 1 88 LYS HG2 . 88 . HG2 1 1 183 1 1 1 1 88 LYS QB . 88 . HB# 1 1 183 1 2 1 1 89 ARG H . 89 . HN 1 1 184 1 1 1 1 88 LYS HA . 88 . HA 1 1 184 1 2 1 1 89 ARG H . 89 . HN 1 1 185 1 1 1 1 88 LYS H . 88 . HN 1 1 185 1 2 1 1 89 ARG H . 89 . HN 1 1 186 1 1 1 1 89 ARG QB . 89 . HB# 1 1 186 1 2 1 1 90 LEU H . 90 . HN 1 1 187 1 1 1 1 89 ARG HA . 89 . HA 1 1 187 1 2 1 1 90 LEU H . 90 . HN 1 1 188 1 1 1 1 89 ARG H . 89 . HN 1 1 188 1 2 1 1 90 LEU H . 90 . HN 1 1 189 1 1 1 1 90 LEU QB . 90 . HB# 1 1 189 1 2 1 1 91 ASP H . 91 . HN 1 1 190 1 1 1 1 90 LEU HA . 90 . HA 1 1 190 1 2 1 1 91 ASP H . 91 . HN 1 1 191 1 1 1 1 90 LEU H . 90 . HN 1 1 191 1 2 1 1 91 ASP H . 91 . HN 1 1 192 1 1 1 1 91 ASP QB . 91 . HB# 1 1 192 1 2 1 1 92 ARG H . 92 . HN 1 1 193 1 1 1 1 91 ASP H . 91 . HN 1 1 193 1 2 1 1 92 ARG H . 92 . HN 1 1 194 1 1 1 1 92 ARG QB . 92 . HB# 1 1 194 1 2 1 1 93 ASN H . 93 . HN 1 1 195 1 1 1 1 92 ARG HA . 92 . HA 1 1 195 1 2 1 1 93 ASN H . 93 . HN 1 1 196 1 1 1 1 92 ARG H . 92 . HN 1 1 196 1 2 1 1 93 ASN H . 93 . HN 1 1 197 1 1 1 1 93 ASN QB . 93 . HB# 1 1 197 1 2 1 1 94 LEU H . 94 . HN 1 1 198 1 1 1 1 93 ASN HA . 93 . HA 1 1 198 1 2 1 1 94 LEU H . 94 . HN 1 1 199 1 1 1 1 93 ASN H . 93 . HN 1 1 199 1 2 1 1 94 LEU H . 94 . HN 1 1 200 1 1 1 1 94 LEU HA . 94 . HA 1 1 200 1 2 1 1 95 TRP H . 95 . HN 1 1 201 1 1 1 1 94 LEU H . 94 . HN 1 1 201 1 2 1 1 95 TRP H . 95 . HN 1 1 202 1 1 1 1 95 TRP QB . 95 . HB# 1 1 202 1 2 1 1 96 GLY H . 96 . HN 1 1 203 1 1 1 1 95 TRP HA . 95 . HA 1 1 203 1 2 1 1 96 GLY H . 96 . HN 1 1 204 1 1 1 1 95 TRP H . 95 . HN 1 1 204 1 2 1 1 96 GLY H . 96 . HN 1 1 205 1 1 1 1 96 GLY QA . 96 . HA# 1 1 205 1 2 1 1 97 LEU H . 97 . HN 1 1 206 1 1 1 1 96 GLY H . 96 . HN 1 1 206 1 2 1 1 97 LEU H . 97 . HN 1 1 207 1 1 1 1 97 LEU H . 97 . HN 1 1 207 1 2 1 1 98 ALA H . 98 . HN 1 1 208 1 1 1 1 98 ALA MB . 98 . HB# 1 1 208 1 2 1 1 99 GLY H . 99 . HN 1 1 209 1 1 1 1 98 ALA HA . 98 . HA 1 1 209 1 2 1 1 99 GLY H . 99 . HN 1 1 210 1 1 1 1 98 ALA H . 98 . HN 1 1 210 1 2 1 1 99 GLY H . 99 . HN 1 1 211 1 1 1 1 99 GLY QA . 99 . HA# 1 1 211 1 2 1 1 100 LEU H . 100 . HN 1 1 212 1 1 1 1 99 GLY H . 99 . HN 1 1 212 1 2 1 1 100 LEU H . 100 . HN 1 1 213 1 1 1 1 101 ASN QB . 101 . HB# 1 1 213 1 2 1 1 102 SER H . 102 . HN 1 1 214 1 1 1 1 102 SER QB . 102 . HB# 1 1 214 1 2 1 1 103 CYS HA . 103 . HA 1 1 215 1 1 1 1 103 CYS HA . 103 . HA 1 1 215 1 2 1 1 104 PRO QD . 104 . HD# 1 1 216 1 1 1 1 103 CYS HA . 103 . HA 1 1 216 1 2 1 1 104 PRO QG . 104 . HG# 1 1 217 1 1 1 1 104 PRO QB . 104 . HB# 1 1 217 1 2 1 1 105 VAL H . 105 . HN 1 1 218 1 1 1 1 104 PRO HA . 104 . HA 1 1 218 1 2 1 1 105 VAL H . 105 . HN 1 1 219 1 1 1 1 105 VAL HA . 105 . HA 1 1 219 1 2 1 1 106 LYS H . 106 . HN 1 1 220 1 1 1 1 106 LYS QB . 106 . HB# 1 1 220 1 2 1 1 107 GLU H . 107 . HN 1 1 221 1 1 1 1 107 GLU QB . 107 . HB# 1 1 221 1 2 1 1 108 ALA H . 108 . HN 1 1 222 1 1 1 1 108 ALA MB . 108 . HB# 1 1 222 1 2 1 1 109 ASP H . 109 . HN 1 1 223 1 1 1 1 108 ALA HA . 108 . HA 1 1 223 1 2 1 1 109 ASP H . 109 . HN 1 1 224 1 1 1 1 109 ASP QB . 109 . HB# 1 1 224 1 2 1 1 110 GLN H . 110 . HN 1 1 225 1 1 1 1 109 ASP H . 109 . HN 1 1 225 1 2 1 1 110 GLN H . 110 . HN 1 1 226 1 1 1 1 110 GLN QB . 110 . HB# 1 1 226 1 2 1 1 111 SER H . 111 . HN 1 1 227 1 1 1 1 110 GLN H . 110 . HN 1 1 227 1 2 1 1 111 SER H . 111 . HN 1 1 228 1 1 1 1 111 SER HA . 111 . HA 1 1 228 1 2 1 1 112 THR H . 112 . HN 1 1 229 1 1 1 1 111 SER H . 111 . HN 1 1 229 1 2 1 1 112 THR H . 112 . HN 1 1 230 1 1 1 1 111 SER HA . 111 . HA 1 1 230 1 2 1 1 112 THR MG . 112 . HG2# 1 1 231 1 1 1 1 112 THR HA . 112 . HA 1 1 231 1 2 1 1 113 LEU H . 113 . HN 1 1 232 1 1 1 1 113 LEU QB . 113 . HB# 1 1 232 1 2 1 1 114 GLU H . 114 . HN 1 1 233 1 1 1 1 113 LEU H . 113 . HN 1 1 233 1 2 1 1 114 GLU H . 114 . HN 1 1 234 1 1 1 1 114 GLU QB . 114 . HB# 1 1 234 1 2 1 1 115 ASN H . 115 . HN 1 1 235 1 1 1 1 114 GLU HA . 114 . HA 1 1 235 1 2 1 1 115 ASN H . 115 . HN 1 1 236 1 1 1 1 114 GLU H . 114 . HN 1 1 236 1 2 1 1 115 ASN H . 115 . HN 1 1 237 1 1 1 1 115 ASN QB . 115 . HB# 1 1 237 1 2 1 1 116 PHE H . 116 . HN 1 1 238 1 1 1 1 115 ASN H . 115 . HN 1 1 238 1 2 1 1 116 PHE H . 116 . HN 1 1 239 1 1 1 1 116 PHE QB . 116 . HB# 1 1 239 1 2 1 1 117 LEU H . 117 . HN 1 1 240 1 1 1 1 116 PHE HA . 116 . HA 1 1 240 1 2 1 1 117 LEU H . 117 . HN 1 1 241 1 1 1 1 116 PHE H . 116 . HN 1 1 241 1 2 1 1 117 LEU H . 117 . HN 1 1 242 1 1 1 1 117 LEU H . 117 . HN 1 1 242 1 2 1 1 118 GLU H . 118 . HN 1 1 243 1 1 1 1 118 GLU HA . 118 . HA 1 1 243 1 2 1 1 119 ARG H . 119 . HN 1 1 244 1 1 1 1 119 ARG QB . 119 . HB# 1 1 244 1 2 1 1 120 LEU H . 120 . HN 1 1 245 1 1 1 1 119 ARG HA . 119 . HA 1 1 245 1 2 1 1 120 LEU H . 120 . HN 1 1 246 1 1 1 1 119 ARG H . 119 . HN 1 1 246 1 2 1 1 120 LEU H . 120 . HN 1 1 247 1 1 1 1 120 LEU QB . 120 . HB# 1 1 247 1 2 1 1 121 LYS H . 121 . HN 1 1 248 1 1 1 1 120 LEU HA . 120 . HA 1 1 248 1 2 1 1 121 LYS H . 121 . HN 1 1 249 1 1 1 1 120 LEU H . 120 . HN 1 1 249 1 2 1 1 121 LYS H . 121 . HN 1 1 250 1 1 1 1 121 LYS QB . 121 . HB# 1 1 250 1 2 1 1 122 THR H . 122 . HN 1 1 251 1 1 1 1 121 LYS HA . 121 . HA 1 1 251 1 2 1 1 122 THR H . 122 . HN 1 1 252 1 1 1 1 121 LYS H . 121 . HN 1 1 252 1 2 1 1 122 THR H . 122 . HN 1 1 253 1 1 1 1 121 LYS QB . 121 . HB# 1 1 253 1 2 1 1 122 THR MG . 122 . HG2# 1 1 254 1 1 1 1 121 LYS QE . 121 . HE# 1 1 254 1 2 1 1 122 THR MG . 122 . HG2# 1 1 255 1 1 1 1 122 THR HB . 122 . HB# 1 1 255 1 2 1 1 123 ILE H . 123 . HN 1 1 256 1 1 1 1 122 THR HA . 122 . HA 1 1 256 1 2 1 1 123 ILE H . 123 . HN 1 1 257 1 1 1 1 122 THR H . 122 . HN 1 1 257 1 2 1 1 123 ILE H . 123 . HN 1 1 258 1 1 1 1 123 ILE HB . 123 . HB# 1 1 258 1 2 1 1 124 MET H . 124 . HN 1 1 259 1 1 1 1 123 ILE HA . 123 . HA 1 1 259 1 2 1 1 124 MET H . 124 . HN 1 1 260 1 1 1 1 123 ILE H . 123 . HN 1 1 260 1 2 1 1 124 MET H . 124 . HN 1 1 261 1 1 1 1 123 ILE MG . 123 . HG2# 1 1 261 1 2 1 1 124 MET HA . 124 . HA 1 1 262 1 1 1 1 123 ILE MG . 123 . HG2# 1 1 262 1 2 1 1 124 MET QG . 124 . HG# 1 1 263 1 1 1 1 124 MET QB . 124 . HB# 1 1 263 1 2 1 1 125 ARG H . 125 . HN 1 1 264 1 1 1 1 124 MET HA . 124 . HA 1 1 264 1 2 1 1 125 ARG H . 125 . HN 1 1 265 1 1 1 1 124 MET H . 124 . HN 1 1 265 1 2 1 1 125 ARG H . 125 . HN 1 1 266 1 1 1 1 125 ARG QB . 125 . HB# 1 1 266 1 2 1 1 126 GLU H . 126 . HN 1 1 267 1 1 1 1 125 ARG HA . 125 . HA 1 1 267 1 2 1 1 126 GLU H . 126 . HN 1 1 268 1 1 1 1 125 ARG H . 125 . HN 1 1 268 1 2 1 1 126 GLU H . 126 . HN 1 1 269 1 1 1 1 126 GLU QB . 126 . HB# 1 1 269 1 2 1 1 127 LYS H . 127 . HN 1 1 270 1 1 1 1 126 GLU H . 126 . HN 1 1 270 1 2 1 1 127 LYS H . 127 . HN 1 1 271 1 1 1 1 127 LYS HA . 127 . HA 1 1 271 1 2 1 1 128 TYR H . 128 . HN 1 1 272 1 1 1 1 127 LYS H . 127 . HN 1 1 272 1 2 1 1 128 TYR H . 128 . HN 1 1 273 1 1 1 1 128 TYR QB . 128 . HB# 1 1 273 1 2 1 1 129 SER H . 129 . HN 1 1 274 1 1 1 1 128 TYR HA . 128 . HA 1 1 274 1 2 1 1 129 SER H . 129 . HN 1 1 275 1 1 1 1 128 TYR H . 128 . HN 1 1 275 1 2 1 1 129 SER H . 129 . HN 1 1 276 1 1 1 1 129 SER H . 129 . HN 1 1 276 1 2 1 1 130 LYS H . 130 . HN 1 1 277 1 1 1 1 130 LYS QB . 130 . HB# 1 1 277 1 2 1 1 131 CYS H . 131 . HN 1 1 278 1 1 1 1 130 LYS HA . 130 . HA 1 1 278 1 2 1 1 131 CYS H . 131 . HN 1 1 279 1 1 1 1 130 LYS H . 130 . HN 1 1 279 1 2 1 1 131 CYS H . 131 . HN 1 1 280 1 1 1 1 131 CYS H . 131 . HN 1 1 280 1 2 1 1 132 SER H . 132 . HN 1 1 281 1 1 1 1 132 SER QB . 132 . HB# 1 1 281 1 2 1 1 133 SER H . 133 . HN 1 1 282 1 1 1 1 132 SER HA . 132 . HA 1 1 282 1 2 1 1 133 SER H . 133 . HN 1 1 283 1 1 1 1 5 HIS H . 5 . HN 1 1 283 1 2 1 1 7 CYS H . 7 . HN 1 1 284 1 1 1 1 7 CYS HA . 7 . HA 1 1 284 1 2 1 1 10 THR HB . 10 . HB# 1 1 285 1 1 1 1 8 ASP HA . 8 . HA 1 1 285 1 2 1 1 11 LEU QB . 11 . HB# 1 1 286 1 1 1 1 9 ILE HA . 9 . HA 1 1 286 1 2 1 1 12 GLN QB . 12 . HB# 1 1 287 1 1 1 1 9 ILE HA . 9 . HA 1 1 287 1 2 1 1 12 GLN H . 12 . HN 1 1 288 1 1 1 1 9 ILE H . 9 . HN 1 1 288 1 2 1 1 11 LEU H . 11 . HN 1 1 289 1 1 1 1 9 ILE HA . 9 . HA 1 1 289 1 2 1 1 12 GLN QG . 12 . HG# 1 1 290 1 1 1 1 10 THR HA . 10 . HA 1 1 290 1 2 1 1 13 GLU QB . 13 . HB# 1 1 291 1 1 1 1 10 THR HA . 10 . HA 1 1 291 1 2 1 1 13 GLU H . 13 . HN 1 1 292 1 1 1 1 10 THR MG . 10 . HG2# 1 1 292 1 2 1 1 14 ILE HB . 14 . HB# 1 1 293 1 1 1 1 10 THR MG . 10 . HG2# 1 1 293 1 2 1 1 14 ILE QG . 14 . HG1# 1 1 294 1 1 1 1 10 THR MG . 10 . HG2# 1 1 294 1 2 1 1 14 ILE MD . 14 . HD# 1 1 295 1 1 1 1 10 THR MG . 10 . HG2# 1 1 295 1 2 1 1 13 GLU QB . 13 . HB# 1 1 296 1 1 1 1 11 LEU HA . 11 . HA 1 1 296 1 2 1 1 14 ILE HB . 14 . HB# 1 1 297 1 1 1 1 11 LEU HA . 11 . HA 1 1 297 1 2 1 1 14 ILE H . 14 . HN 1 1 298 1 1 1 1 11 LEU QD . 11 . HD* 1 1 298 1 2 1 1 15 ILE MD . 15 . HD# 1 1 299 1 1 1 1 11 LEU HG . 11 . HG 1 1 299 1 2 1 1 15 ILE MD . 15 . HD# 1 1 300 1 1 1 1 11 LEU QB . 11 . HB# 1 1 300 1 2 1 1 15 ILE MD . 15 . HD# 1 1 301 1 1 1 1 11 LEU HA . 11 . HA 1 1 301 1 2 1 1 14 ILE MD . 14 . HD# 1 1 302 1 1 1 1 12 GLN HA . 12 . HA 1 1 302 1 2 1 1 15 ILE HB . 15 . HB# 1 1 303 1 1 1 1 12 GLN HA . 12 . HA 1 1 303 1 2 1 1 15 ILE H . 15 . HN 1 1 304 1 1 1 1 12 GLN HA . 12 . HA 1 1 304 1 2 1 1 14 ILE H . 14 . HN 1 1 305 1 1 1 1 12 GLN H . 12 . HN 1 1 305 1 2 1 1 14 ILE H . 14 . HN 1 1 306 1 1 1 1 12 GLN HA . 12 . HA 1 1 306 1 2 1 1 15 ILE MG . 15 . HG2# 1 1 307 1 1 1 1 12 GLN HA . 12 . HA 1 1 307 1 2 1 1 15 ILE MD . 15 . HD# 1 1 308 1 1 1 1 13 GLU HA . 13 . HA 1 1 308 1 2 1 1 16 LYS QB . 16 . HB# 1 1 309 1 1 1 1 13 GLU HA . 13 . HA 1 1 309 1 2 1 1 15 ILE H . 15 . HN 1 1 310 1 1 1 1 13 GLU HA . 13 . HA 1 1 310 1 2 1 1 16 LYS QE . 16 . HE# 1 1 311 1 1 1 1 14 ILE HA . 14 . HA 1 1 311 1 2 1 1 17 THR HB . 17 . HB# 1 1 312 1 1 1 1 14 ILE HA . 14 . HA 1 1 312 1 2 1 1 17 THR H . 17 . HN 1 1 313 1 1 1 1 14 ILE HA . 14 . HA 1 1 313 1 2 1 1 16 LYS H . 16 . HN 1 1 314 1 1 1 1 14 ILE HA . 14 . HA 1 1 314 1 2 1 1 17 THR MG . 17 . HG2# 1 1 315 1 1 1 1 15 ILE HA . 15 . HA 1 1 315 1 2 1 1 18 LEU QB . 18 . HB# 1 1 316 1 1 1 1 15 ILE HA . 15 . HA 1 1 316 1 2 1 1 18 LEU H . 18 . HN 1 1 317 1 1 1 1 15 ILE HA . 15 . HA 1 1 317 1 2 1 1 17 THR H . 17 . HN 1 1 318 1 1 1 1 15 ILE H . 15 . HN 1 1 318 1 2 1 1 17 THR H . 17 . HN 1 1 319 1 1 1 1 16 LYS HA . 16 . HA 1 1 319 1 2 1 1 19 ASN QB . 19 . HB# 1 1 320 1 1 1 1 16 LYS HA . 16 . HA 1 1 320 1 2 1 1 19 ASN H . 19 . HN 1 1 321 1 1 1 1 17 THR HA . 17 . HA 1 1 321 1 2 1 1 20 SER QB . 20 . HB# 1 1 322 1 1 1 1 17 THR HA . 17 . HA 1 1 322 1 2 1 1 19 ASN H . 19 . HN 1 1 323 1 1 1 1 17 THR H . 17 . HN 1 1 323 1 2 1 1 19 ASN H . 19 . HN 1 1 324 1 1 1 1 18 LEU HA . 18 . HA 1 1 324 1 2 1 1 21 LEU QB . 21 . HB# 1 1 325 1 1 1 1 18 LEU HA . 18 . HA 1 1 325 1 2 1 1 21 LEU H . 21 . HN 1 1 326 1 1 1 1 18 LEU H . 18 . HN 1 1 326 1 2 1 1 20 SER H . 20 . HN 1 1 327 1 1 1 1 19 ASN HA . 19 . HA 1 1 327 1 2 1 1 22 THR HB . 22 . HB# 1 1 328 1 1 1 1 19 ASN H . 19 . HN 1 1 328 1 2 1 1 21 LEU H . 21 . HN 1 1 329 1 1 1 1 19 ASN HA . 19 . HA 1 1 329 1 2 1 1 22 THR MG . 22 . HG2# 1 1 330 1 1 1 1 20 SER HA . 20 . HA 1 1 330 1 2 1 1 23 GLU QB . 23 . HB# 1 1 331 1 1 1 1 21 LEU HA . 21 . HA 1 1 331 1 2 1 1 24 GLN QB . 24 . HB# 1 1 332 1 1 1 1 21 LEU HA . 21 . HA 1 1 332 1 2 1 1 24 GLN H . 24 . HN 1 1 333 1 1 1 1 21 LEU HA . 21 . HA 1 1 333 1 2 1 1 23 GLU H . 23 . HN 1 1 334 1 1 1 1 21 LEU H . 21 . HN 1 1 334 1 2 1 1 23 GLU H . 23 . HN 1 1 335 1 1 1 1 22 THR HA . 22 . HA 1 1 335 1 2 1 1 24 GLN H . 24 . HN 1 1 336 1 1 1 1 23 GLU HA . 23 . HA 1 1 336 1 2 1 1 25 LYS H . 25 . HN 1 1 337 1 1 1 1 24 GLN HA . 24 . HA 1 1 337 1 2 1 1 27 LEU QB . 27 . HB# 1 1 338 1 1 1 1 25 LYS HA . 25 . HA 1 1 338 1 2 1 1 28 CYS QB . 28 . HB# 1 1 339 1 1 1 1 26 THR HA . 26 . HA 1 1 339 1 2 1 1 29 THR H . 29 . HN 1 1 340 1 1 1 1 26 THR HA . 26 . HA 1 1 340 1 2 1 1 28 CYS H . 28 . HN 1 1 341 1 1 1 1 27 LEU HA . 27 . HA 1 1 341 1 2 1 1 30 GLU QB . 30 . HB# 1 1 342 1 1 1 1 27 LEU H . 27 . HN 1 1 342 1 2 1 1 29 THR H . 29 . HN 1 1 343 1 1 1 1 28 CYS HA . 28 . HA 1 1 343 1 2 1 1 31 LEU MD1 . 31 . HD1# 1 1 344 1 1 1 1 28 CYS HA . 28 . HA 1 1 344 1 2 1 1 31 LEU MD2 . 31 . HD2# 1 1 345 1 1 1 1 28 CYS HA . 28 . HA 1 1 345 1 2 1 1 31 LEU HG . 31 . HG 1 1 346 1 1 1 1 28 CYS QB . 28 . HB# 1 1 346 1 2 1 1 31 LEU QD . 31 . HD* 1 1 347 1 1 1 1 29 THR HA . 29 . HA 1 1 347 1 2 1 1 31 LEU H . 31 . HN 1 1 348 1 1 1 1 30 GLU HA . 30 . HA 1 1 348 1 2 1 1 32 THR MG . 32 . HG2# 1 1 349 1 1 1 1 34 THR HB . 34 . HB 1 1 349 1 2 1 1 36 ILE MG . 36 . HG2# 1 1 350 1 1 1 1 34 THR MG . 34 . HG2# 1 1 350 1 2 1 1 36 ILE HB . 36 . HB 1 1 351 1 1 1 1 34 THR MG . 34 . HG2# 1 1 351 1 2 1 1 36 ILE MD . 36 . HD# 1 1 352 1 1 1 1 36 ILE HA . 36 . HA 1 1 352 1 2 1 1 38 ALA H . 38 . HN 1 1 353 1 1 1 1 36 ILE H . 36 . HN 1 1 353 1 2 1 1 38 ALA H . 38 . HN 1 1 354 1 1 1 1 37 PHE H . 37 . HN 1 1 354 1 2 1 1 39 ALA H . 39 . HN 1 1 355 1 1 1 1 43 THR HB . 43 . HB 1 1 355 1 2 1 1 47 GLU QB . 47 . HB# 1 1 356 1 1 1 1 43 THR MG . 43 . HG2# 1 1 356 1 2 1 1 47 GLU QB . 47 . HB# 1 1 357 1 1 1 1 44 THR HA . 44 . HA 1 1 357 1 2 1 1 48 THR H . 48 . HN 1 1 358 1 1 1 1 44 THR HA . 44 . HA 1 1 358 1 2 1 1 47 GLU H . 47 . HN 1 1 359 1 1 1 1 45 GLU HA . 45 . HA 1 1 359 1 2 1 1 48 THR HB . 48 . HB# 1 1 360 1 1 1 1 45 GLU QB . 45 . HB# 1 1 360 1 2 1 1 49 PHE QE . 49 . HE# 1 1 361 1 1 1 1 45 GLU QB . 45 . HB# 1 1 361 1 2 1 1 49 PHE HZ . 49 . HZ 1 1 362 1 1 1 1 46 LYS HA . 46 . HA 1 1 362 1 2 1 1 49 PHE QB . 49 . HB# 1 1 363 1 1 1 1 46 LYS HA . 46 . HA 1 1 363 1 2 1 1 49 PHE H . 49 . HN 1 1 364 1 1 1 1 46 LYS HA . 46 . HA 1 1 364 1 2 1 1 49 PHE QD . 49 . HD# 1 1 365 1 1 1 1 47 GLU HA . 47 . HA 1 1 365 1 2 1 1 50 CYS QB . 50 . HB# 1 1 366 1 1 1 1 47 GLU HA . 47 . HA 1 1 366 1 2 1 1 50 CYS H . 50 . HN 1 1 367 1 1 1 1 47 GLU H . 47 . HN 1 1 367 1 2 1 1 49 PHE H . 49 . HN 1 1 368 1 1 1 1 48 THR HA . 48 . HA 1 1 368 1 2 1 1 51 ARG QB . 51 . HB# 1 1 369 1 1 1 1 48 THR HA . 48 . HA 1 1 369 1 2 1 1 52 ALA H . 52 . HN 1 1 370 1 1 1 1 48 THR HA . 48 . HA 1 1 370 1 2 1 1 51 ARG H . 51 . HN 1 1 371 1 1 1 1 48 THR H . 48 . HN 1 1 371 1 2 1 1 50 CYS H . 50 . HN 1 1 372 1 1 1 1 48 THR MG . 48 . HG2# 1 1 372 1 2 1 1 52 ALA MB . 52 . HB# 1 1 373 1 1 1 1 48 THR HA . 48 . HA 1 1 373 1 2 1 1 51 ARG QD . 51 . HD# 1 1 374 1 1 1 1 49 PHE HA . 49 . HA 1 1 374 1 2 1 1 52 ALA MB . 52 . HB# 1 1 375 1 1 1 1 49 PHE HA . 49 . HA 1 1 375 1 2 1 1 52 ALA H . 52 . HN 1 1 376 1 1 1 1 49 PHE HA . 49 . HA 1 1 376 1 2 1 1 51 ARG H . 51 . HN 1 1 377 1 1 1 1 50 CYS HA . 50 . HA 1 1 377 1 2 1 1 53 ALA MB . 53 . HB# 1 1 378 1 1 1 1 50 CYS H . 50 . HN 1 1 378 1 2 1 1 52 ALA H . 52 . HN 1 1 379 1 1 1 1 50 CYS HA . 50 . HA 1 1 379 1 2 1 1 52 ALA MB . 52 . HB# 1 1 380 1 1 1 1 51 ARG HA . 51 . HA 1 1 380 1 2 1 1 54 THR HB . 54 . HB# 1 1 381 1 1 1 1 51 ARG HA . 51 . HA 1 1 381 1 2 1 1 54 THR H . 54 . HN 1 1 382 1 1 1 1 51 ARG HA . 51 . HA 1 1 382 1 2 1 1 53 ALA H . 53 . HN 1 1 383 1 1 1 1 51 ARG H . 51 . HN 1 1 383 1 2 1 1 53 ALA H . 53 . HN 1 1 384 1 1 1 1 52 ALA HA . 52 . HA 1 1 384 1 2 1 1 55 VAL HB . 55 . HB# 1 1 385 1 1 1 1 52 ALA HA . 52 . HA 1 1 385 1 2 1 1 56 LEU H . 56 . HN 1 1 386 1 1 1 1 52 ALA HA . 52 . HA 1 1 386 1 2 1 1 55 VAL H . 55 . HN 1 1 387 1 1 1 1 52 ALA H . 52 . HN 1 1 387 1 2 1 1 54 THR H . 54 . HN 1 1 388 1 1 1 1 52 ALA HA . 52 . HA 1 1 388 1 2 1 1 55 VAL MG2 . 55 . HG2# 1 1 389 1 1 1 1 52 ALA HA . 52 . HA 1 1 389 1 2 1 1 55 VAL MG1 . 55 . HG1# 1 1 390 1 1 1 1 52 ALA MB . 52 . HB# 1 1 390 1 2 1 1 55 VAL HB . 55 . HB 1 1 391 1 1 1 1 52 ALA MB . 52 . HB# 1 1 391 1 2 1 1 56 LEU QD . 56 . HD* 1 1 392 1 1 1 1 53 ALA HA . 53 . HA 1 1 392 1 2 1 1 56 LEU QB . 56 . HB# 1 1 393 1 1 1 1 53 ALA HA . 53 . HA 1 1 393 1 2 1 1 55 VAL H . 55 . HN 1 1 394 1 1 1 1 53 ALA HA . 53 . HA 1 1 394 1 2 1 1 56 LEU MD1 . 56 . HD1# 1 1 395 1 1 1 1 53 ALA HA . 53 . HA 1 1 395 1 2 1 1 56 LEU MD2 . 56 . HD2# 1 1 396 1 1 1 1 54 THR HA . 54 . HA 1 1 396 1 2 1 1 57 ARG QB . 57 . HB# 1 1 397 1 1 1 1 54 THR HA . 54 . HA 1 1 397 1 2 1 1 57 ARG QD . 57 . HD# 1 1 398 1 1 1 1 55 VAL HA . 55 . HA 1 1 398 1 2 1 1 58 GLN QB . 58 . HB# 1 1 399 1 1 1 1 55 VAL HA . 55 . HA 1 1 399 1 2 1 1 58 GLN H . 58 . HN 1 1 400 1 1 1 1 55 VAL HA . 55 . HA 1 1 400 1 2 1 1 57 ARG H . 57 . HN 1 1 401 1 1 1 1 56 LEU HA . 56 . HA 1 1 401 1 2 1 1 59 PHE QB . 59 . HB# 1 1 402 1 1 1 1 56 LEU HA . 56 . HA 1 1 402 1 2 1 1 59 PHE H . 59 . HN 1 1 403 1 1 1 1 58 GLN HA . 58 . HA 1 1 403 1 2 1 1 61 SER QB . 61 . HB# 1 1 404 1 1 1 1 58 GLN H . 58 . HN 1 1 404 1 2 1 1 60 TYR H . 60 . HN 1 1 405 1 1 1 1 59 PHE HA . 59 . HA 1 1 405 1 2 1 1 62 HIS QB . 62 . HB# 1 1 406 1 1 1 1 59 PHE HA . 59 . HA 1 1 406 1 2 1 1 62 HIS H . 62 . HN 1 1 407 1 1 1 1 59 PHE H . 59 . HN 1 1 407 1 2 1 1 61 SER H . 61 . HN 1 1 408 1 1 1 1 59 PHE HA . 59 . HA 1 1 408 1 2 1 1 63 HIS HD2 . 63 . HD2 1 1 409 1 1 1 1 59 PHE QB . 59 . HB# 1 1 409 1 2 1 1 63 HIS HD2 . 63 . HD2 1 1 410 1 1 1 1 59 PHE QD . 59 . HD# 1 1 410 1 2 1 1 63 HIS QB . 63 . HB# 1 1 411 1 1 1 1 60 TYR HA . 60 . HA 1 1 411 1 2 1 1 63 HIS QB . 63 . HB# 1 1 412 1 1 1 1 60 TYR HA . 60 . HA 1 1 412 1 2 1 1 64 GLU H . 64 . HN 1 1 413 1 1 1 1 60 TYR HA . 60 . HA 1 1 413 1 2 1 1 63 HIS H . 63 . HN 1 1 414 1 1 1 1 60 TYR HA . 60 . HA 1 1 414 1 2 1 1 62 HIS H . 62 . HN 1 1 415 1 1 1 1 60 TYR H . 60 . HN 1 1 415 1 2 1 1 62 HIS H . 62 . HN 1 1 416 1 1 1 1 61 SER HA . 61 . HA 1 1 416 1 2 1 1 64 GLU QB . 64 . HB# 1 1 417 1 1 1 1 61 SER H . 61 . HN 1 1 417 1 2 1 1 63 HIS H . 63 . HN 1 1 418 1 1 1 1 62 HIS H . 62 . HN 1 1 418 1 2 1 1 64 GLU H . 64 . HN 1 1 419 1 1 1 1 63 HIS HA . 63 . HA 1 1 419 1 2 1 1 66 ASP QB . 66 . HB# 1 1 420 1 1 1 1 63 HIS HA . 63 . HA 1 1 420 1 2 1 1 66 ASP H . 66 . HN 1 1 421 1 1 1 1 67 THR HA . 67 . HA 1 1 421 1 2 1 1 70 LEU QB . 70 . HB# 1 1 422 1 1 1 1 67 THR H . 67 . HN 1 1 422 1 2 1 1 69 CYS H . 69 . HN 1 1 423 1 1 1 1 67 THR HA . 67 . HA 1 1 423 1 2 1 1 70 LEU HG . 70 . HG 1 1 424 1 1 1 1 67 THR HA . 67 . HA 1 1 424 1 2 1 1 70 LEU QD . 70 . HD* 1 1 425 1 1 1 1 67 THR HB . 67 . HB 1 1 425 1 2 1 1 70 LEU QD . 70 . HD* 1 1 426 1 1 1 1 67 THR HB . 67 . HB 1 1 426 1 2 1 1 70 LEU QB . 70 . HB# 1 1 427 1 1 1 1 67 THR MG . 67 . HG2# 1 1 427 1 2 1 1 70 LEU QD . 70 . HD* 1 1 428 1 1 1 1 68 ARG H . 68 . HN 1 1 428 1 2 1 1 70 LEU H . 70 . HN 1 1 429 1 1 1 1 71 GLY QA . 71 . HA# 1 1 429 1 2 1 1 73 THR H . 73 . HN 1 1 430 1 1 1 1 71 GLY QA . 71 . HA# 1 1 430 1 2 1 1 76 GLN QB . 76 . HB# 1 1 431 1 1 1 1 73 THR HA . 73 . HA 1 1 431 1 2 1 1 75 GLN H . 75 . HN 1 1 432 1 1 1 1 73 THR MG . 73 . HG2# 1 1 432 1 2 1 1 76 GLN QB . 76 . HB# 1 1 433 1 1 1 1 73 THR MG . 73 . HG2# 1 1 433 1 2 1 1 76 GLN QG . 76 . HG# 1 1 434 1 1 1 1 74 ALA HA . 74 . HA 1 1 434 1 2 1 1 77 PHE QB . 77 . HB# 1 1 435 1 1 1 1 74 ALA MB . 74 . HB# 1 1 435 1 2 1 1 77 PHE QB . 77 . HB# 1 1 436 1 1 1 1 75 GLN HA . 75 . HA 1 1 436 1 2 1 1 78 HIS QB . 78 . HB# 1 1 437 1 1 1 1 75 GLN HA . 75 . HA 1 1 437 1 2 1 1 77 PHE H . 77 . HN 1 1 438 1 1 1 1 76 GLN HA . 76 . HA 1 1 438 1 2 1 1 79 ARG QB . 79 . HB# 1 1 439 1 1 1 1 76 GLN HA . 76 . HA 1 1 439 1 2 1 1 79 ARG H . 79 . HN 1 1 440 1 1 1 1 76 GLN H . 76 . HN 1 1 440 1 2 1 1 78 HIS H . 78 . HN 1 1 441 1 1 1 1 77 PHE HA . 77 . HA 1 1 441 1 2 1 1 80 HIS QB . 80 . HB# 1 1 442 1 1 1 1 77 PHE HA . 77 . HA 1 1 442 1 2 1 1 80 HIS H . 80 . HN 1 1 443 1 1 1 1 77 PHE HA . 77 . HA 1 1 443 1 2 1 1 80 HIS HD2 . 80 . HD2 1 1 444 1 1 1 1 78 HIS HA . 78 . HA 1 1 444 1 2 1 1 81 LYS QB . 81 . HB# 1 1 445 1 1 1 1 78 HIS HA . 78 . HA 1 1 445 1 2 1 1 82 GLN H . 82 . HN 1 1 446 1 1 1 1 78 HIS HE1 . 78 . HE1 1 1 446 1 2 1 1 82 GLN QG . 82 . HG# 1 1 447 1 1 1 1 79 ARG HA . 79 . HA 1 1 447 1 2 1 1 82 GLN QB . 82 . HB# 1 1 448 1 1 1 1 79 ARG HA . 79 . HA 1 1 448 1 2 1 1 83 LEU H . 83 . HN 1 1 449 1 1 1 1 79 ARG HA . 79 . HA 1 1 449 1 2 1 1 82 GLN H . 82 . HN 1 1 450 1 1 1 1 80 HIS HA . 80 . HA 1 1 450 1 2 1 1 83 LEU QB . 83 . HB# 1 1 451 1 1 1 1 80 HIS HA . 80 . HA 1 1 451 1 2 1 1 84 ILE H . 84 . HN 1 1 452 1 1 1 1 80 HIS H . 80 . HN 1 1 452 1 2 1 1 82 GLN H . 82 . HN 1 1 453 1 1 1 1 80 HIS HE1 . 80 . HE1 1 1 453 1 2 1 1 84 ILE MD . 84 . HD# 1 1 454 1 1 1 1 80 HIS HE1 . 80 . HE1 1 1 454 1 2 1 1 83 LEU QD . 83 . HD* 1 1 455 1 1 1 1 80 HIS HA . 80 . HA 1 1 455 1 2 1 1 83 LEU QD . 83 . HD* 1 1 456 1 1 1 1 81 LYS HA . 81 . HA 1 1 456 1 2 1 1 84 ILE HB . 84 . HB# 1 1 457 1 1 1 1 81 LYS HA . 81 . HA 1 1 457 1 2 1 1 84 ILE H . 84 . HN 1 1 458 1 1 1 1 81 LYS HA . 81 . HA 1 1 458 1 2 1 1 83 LEU H . 83 . HN 1 1 459 1 1 1 1 81 LYS H . 81 . HN 1 1 459 1 2 1 1 83 LEU H . 83 . HN 1 1 460 1 1 1 1 81 LYS HA . 81 . HA 1 1 460 1 2 1 1 84 ILE MG . 84 . HG2# 1 1 461 1 1 1 1 82 GLN HA . 82 . HA 1 1 461 1 2 1 1 85 ARG QB . 85 . HB# 1 1 462 1 1 1 1 82 GLN HA . 82 . HA 1 1 462 1 2 1 1 84 ILE H . 84 . HN 1 1 463 1 1 1 1 82 GLN H . 82 . HN 1 1 463 1 2 1 1 84 ILE H . 84 . HN 1 1 464 1 1 1 1 82 GLN HA . 82 . HA 1 1 464 1 2 1 1 85 ARG QG . 85 . HG# 1 1 465 1 1 1 1 82 GLN HA . 82 . HA 1 1 465 1 2 1 1 85 ARG QD . 85 . HD# 1 1 466 1 1 1 1 83 LEU HA . 83 . HA 1 1 466 1 2 1 1 86 PHE QB . 86 . HB# 1 1 467 1 1 1 1 83 LEU HA . 83 . HA 1 1 467 1 2 1 1 86 PHE H . 86 . HN 1 1 468 1 1 1 1 83 LEU HA . 83 . HA 1 1 468 1 2 1 1 85 ARG H . 85 . HN 1 1 469 1 1 1 1 83 LEU H . 83 . HN 1 1 469 1 2 1 1 85 ARG H . 85 . HN 1 1 470 1 1 1 1 83 LEU HA . 83 . HA 1 1 470 1 2 1 1 86 PHE QE . 86 . HE# 1 1 471 1 1 1 1 83 LEU HA . 83 . HA 1 1 471 1 2 1 1 86 PHE QD . 86 . HD# 1 1 472 1 1 1 1 84 ILE HA . 84 . HA 1 1 472 1 2 1 1 87 LEU QB . 87 . HB# 1 1 473 1 1 1 1 84 ILE HA . 84 . HA 1 1 473 1 2 1 1 88 LYS H . 88 . HN 1 1 474 1 1 1 1 84 ILE HA . 84 . HA 1 1 474 1 2 1 1 87 LEU H . 87 . HN 1 1 475 1 1 1 1 84 ILE H . 84 . HN 1 1 475 1 2 1 1 86 PHE H . 86 . HN 1 1 476 1 1 1 1 84 ILE HA . 84 . HA 1 1 476 1 2 1 1 87 LEU QD . 87 . HD* 1 1 477 1 1 1 1 85 ARG HA . 85 . HA 1 1 477 1 2 1 1 88 LYS QB . 88 . HB# 1 1 478 1 1 1 1 85 ARG H . 85 . HN 1 1 478 1 2 1 1 87 LEU H . 87 . HN 1 1 479 1 1 1 1 86 PHE HA . 86 . HA 1 1 479 1 2 1 1 89 ARG QB . 89 . HB# 1 1 480 1 1 1 1 86 PHE HA . 86 . HA 1 1 480 1 2 1 1 90 LEU H . 90 . HN 1 1 481 1 1 1 1 86 PHE HA . 86 . HA 1 1 481 1 2 1 1 89 ARG H . 89 . HN 1 1 482 1 1 1 1 86 PHE HA . 86 . HA 1 1 482 1 2 1 1 88 LYS H . 88 . HN 1 1 483 1 1 1 1 87 LEU HA . 87 . HA 1 1 483 1 2 1 1 90 LEU QB . 90 . HB# 1 1 484 1 1 1 1 87 LEU H . 87 . HN 1 1 484 1 2 1 1 89 ARG H . 89 . HN 1 1 485 1 1 1 1 87 LEU HA . 87 . HA 1 1 485 1 2 1 1 90 LEU QD . 90 . HD* 1 1 486 1 1 1 1 88 LYS HA . 88 . HA 1 1 486 1 2 1 1 91 ASP QB . 91 . HB# 1 1 487 1 1 1 1 88 LYS HA . 88 . HA 1 1 487 1 2 1 1 92 ARG H . 92 . HN 1 1 488 1 1 1 1 88 LYS HA . 88 . HA 1 1 488 1 2 1 1 91 ASP H . 91 . HN 1 1 489 1 1 1 1 88 LYS H . 88 . HN 1 1 489 1 2 1 1 90 LEU H . 90 . HN 1 1 490 1 1 1 1 89 ARG HA . 89 . HA 1 1 490 1 2 1 1 92 ARG QB . 92 . HB# 1 1 491 1 1 1 1 89 ARG HA . 89 . HA 1 1 491 1 2 1 1 92 ARG H . 92 . HN 1 1 492 1 1 1 1 89 ARG H . 89 . HN 1 1 492 1 2 1 1 91 ASP H . 91 . HN 1 1 493 1 1 1 1 90 LEU HA . 90 . HA 1 1 493 1 2 1 1 93 ASN QB . 93 . HB# 1 1 494 1 1 1 1 90 LEU HA . 90 . HA 1 1 494 1 2 1 1 93 ASN H . 93 . HN 1 1 495 1 1 1 1 91 ASP HA . 91 . HA 1 1 495 1 2 1 1 94 LEU QB . 94 . HB# 1 1 496 1 1 1 1 91 ASP HA . 91 . HA 1 1 496 1 2 1 1 95 TRP H . 95 . HN 1 1 497 1 1 1 1 91 ASP HA . 91 . HA 1 1 497 1 2 1 1 94 LEU H . 94 . HN 1 1 498 1 1 1 1 91 ASP HA . 91 . HA 1 1 498 1 2 1 1 94 LEU QD . 94 . HD* 1 1 499 1 1 1 1 92 ARG HA . 92 . HA 1 1 499 1 2 1 1 95 TRP QB . 95 . HB# 1 1 500 1 1 1 1 92 ARG HA . 92 . HA 1 1 500 1 2 1 1 95 TRP H . 95 . HN 1 1 501 1 1 1 1 92 ARG HA . 92 . HA 1 1 501 1 2 1 1 94 LEU H . 94 . HN 1 1 502 1 1 1 1 92 ARG H . 92 . HN 1 1 502 1 2 1 1 94 LEU H . 94 . HN 1 1 503 1 1 1 1 92 ARG QD . 92 . HD# 1 1 503 1 2 1 1 95 TRP HZ2 . 95 . HZ2 1 1 504 1 1 1 1 93 ASN HA . 93 . HA 1 1 504 1 2 1 1 97 LEU H . 97 . HN 1 1 505 1 1 1 1 93 ASN HA . 93 . HA 1 1 505 1 2 1 1 96 GLY H . 96 . HN 1 1 506 1 1 1 1 93 ASN HA . 93 . HA 1 1 506 1 2 1 1 95 TRP H . 95 . HN 1 1 507 1 1 1 1 93 ASN H . 93 . HN 1 1 507 1 2 1 1 95 TRP H . 95 . HN 1 1 508 1 1 1 1 94 LEU HA . 94 . HA 1 1 508 1 2 1 1 97 LEU QB . 97 . HB# 1 1 509 1 1 1 1 94 LEU HA . 94 . HA 1 1 509 1 2 1 1 97 LEU H . 97 . HN 1 1 510 1 1 1 1 94 LEU HA . 94 . HA 1 1 510 1 2 1 1 97 LEU QD . 97 . HD* 1 1 511 1 1 1 1 95 TRP HA . 95 . HA 1 1 511 1 2 1 1 98 ALA MB . 98 . HB# 1 1 512 1 1 1 1 95 TRP H . 95 . HN 1 1 512 1 2 1 1 97 LEU H . 97 . HN 1 1 513 1 1 1 1 95 TRP HH2 . 95 . HH2 1 1 513 1 2 1 1 99 GLY QA . 99 . HA# 1 1 514 1 1 1 1 95 TRP HE3 . 95 . HE3 1 1 514 1 2 1 1 98 ALA MB . 98 . HB# 1 1 515 1 1 1 1 95 TRP HD1 . 95 . HD1 1 1 515 1 2 1 1 98 ALA MB . 98 . HB# 1 1 516 1 1 1 1 98 ALA MB . 98 . HB# 1 1 516 1 2 1 1 100 LEU QD . 100 . HD* 1 1 517 1 1 1 1 100 LEU QB . 100 . HB# 1 1 517 1 2 1 1 103 CYS QB . 103 . HB# 1 1 518 1 1 1 1 100 LEU QD . 100 . HD* 1 1 518 1 2 1 1 103 CYS QB . 103 . HB# 1 1 519 1 1 1 1 103 CYS H . 103 . HN 1 1 519 1 2 1 1 105 VAL H . 105 . HN 1 1 520 1 1 1 1 107 GLU HA . 107 . HA 1 1 520 1 2 1 1 109 ASP H . 109 . HN 1 1 521 1 1 1 1 109 ASP H . 109 . HN 1 1 521 1 2 1 1 111 SER H . 111 . HN 1 1 522 1 1 1 1 110 GLN QB . 110 . HB# 1 1 522 1 2 1 1 112 THR MG . 112 . HG2# 1 1 523 1 1 1 1 110 GLN QG . 110 . HG# 1 1 523 1 2 1 1 112 THR MG . 112 . HG2# 1 1 524 1 1 1 1 112 THR HB . 112 . HB 1 1 524 1 2 1 1 114 GLU QB . 114 . HB# 1 1 525 1 1 1 1 112 THR HB . 112 . HB 1 1 525 1 2 1 1 114 GLU QG . 114 . HG# 1 1 526 1 1 1 1 113 LEU HA . 113 . HA 1 1 526 1 2 1 1 116 PHE QB . 116 . HB# 1 1 527 1 1 1 1 113 LEU HG . 113 . HG# 1 1 527 1 2 1 1 117 LEU QD . 117 . HD* 1 1 528 1 1 1 1 113 LEU QD . 113 . HD* 1 1 528 1 2 1 1 117 LEU HG . 117 . HG 1 1 529 1 1 1 1 113 LEU QD . 113 . HD* 1 1 529 1 2 1 1 116 PHE QB . 116 . HB# 1 1 530 1 1 1 1 113 LEU HA . 113 . HA 1 1 530 1 2 1 1 116 PHE QD . 116 . HD# 1 1 531 1 1 1 1 113 LEU QD . 113 . HD* 1 1 531 1 2 1 1 116 PHE QD . 116 . HD# 1 1 532 1 1 1 1 113 LEU QD . 113 . HD* 1 1 532 1 2 1 1 116 PHE QE . 116 . HE# 1 1 533 1 1 1 1 114 GLU HA . 114 . HA 1 1 533 1 2 1 1 117 LEU QB . 117 . HB# 1 1 534 1 1 1 1 115 ASN HA . 115 . HA 1 1 534 1 2 1 1 118 GLU QB . 118 . HB# 1 1 535 1 1 1 1 115 ASN HA . 115 . HA 1 1 535 1 2 1 1 117 LEU H . 117 . HN 1 1 536 1 1 1 1 115 ASN H . 115 . HN 1 1 536 1 2 1 1 117 LEU H . 117 . HN 1 1 537 1 1 1 1 115 ASN HA . 115 . HA 1 1 537 1 2 1 1 118 GLU QG . 118 . HG# 1 1 538 1 1 1 1 116 PHE HA . 116 . HA 1 1 538 1 2 1 1 119 ARG QB . 119 . HB# 1 1 539 1 1 1 1 116 PHE HA . 116 . HA 1 1 539 1 2 1 1 120 LEU H . 120 . HN 1 1 540 1 1 1 1 116 PHE HA . 116 . HA 1 1 540 1 2 1 1 119 ARG H . 119 . HN 1 1 541 1 1 1 1 116 PHE H . 116 . HN 1 1 541 1 2 1 1 118 GLU H . 118 . HN 1 1 542 1 1 1 1 116 PHE HA . 116 . HA 1 1 542 1 2 1 1 119 ARG QG . 119 . HG# 1 1 543 1 1 1 1 117 LEU HA . 117 . HA 1 1 543 1 2 1 1 120 LEU QB . 120 . HB# 1 1 544 1 1 1 1 117 LEU HA . 117 . HA 1 1 544 1 2 1 1 121 LYS H . 121 . HN 1 1 545 1 1 1 1 117 LEU H . 117 . HN 1 1 545 1 2 1 1 119 ARG H . 119 . HN 1 1 546 1 1 1 1 117 LEU HA . 117 . HA 1 1 546 1 2 1 1 120 LEU QD . 120 . HD* 1 1 547 1 1 1 1 117 LEU QB . 117 . HB# 1 1 547 1 2 1 1 120 LEU QD . 120 . HD* 1 1 548 1 1 1 1 118 GLU HA . 118 . HA 1 1 548 1 2 1 1 122 THR H . 122 . HN 1 1 549 1 1 1 1 118 GLU HA . 118 . HA 1 1 549 1 2 1 1 121 LYS H . 121 . HN 1 1 550 1 1 1 1 118 GLU HA . 118 . HA 1 1 550 1 2 1 1 120 LEU H . 120 . HN 1 1 551 1 1 1 1 118 GLU QG . 118 . HG# 1 1 551 1 2 1 1 122 THR MG . 122 . HG2# 1 1 552 1 1 1 1 119 ARG HA . 119 . HA 1 1 552 1 2 1 1 122 THR HB . 122 . HB# 1 1 553 1 1 1 1 119 ARG H . 119 . HN 1 1 553 1 2 1 1 121 LYS H . 121 . HN 1 1 554 1 1 1 1 120 LEU HA . 120 . HA 1 1 554 1 2 1 1 123 ILE HB . 123 . HB# 1 1 555 1 1 1 1 120 LEU HA . 120 . HA 1 1 555 1 2 1 1 122 THR H . 122 . HN 1 1 556 1 1 1 1 120 LEU H . 120 . HN 1 1 556 1 2 1 1 122 THR H . 122 . HN 1 1 557 1 1 1 1 121 LYS HA . 121 . HA 1 1 557 1 2 1 1 124 MET QB . 124 . HB# 1 1 558 1 1 1 1 121 LYS HA . 121 . HA 1 1 558 1 2 1 1 125 ARG H . 125 . HN 1 1 559 1 1 1 1 121 LYS HA . 121 . HA 1 1 559 1 2 1 1 124 MET H . 124 . HN 1 1 560 1 1 1 1 121 LYS H . 121 . HN 1 1 560 1 2 1 1 123 ILE H . 123 . HN 1 1 561 1 1 1 1 122 THR HA . 122 . HA 1 1 561 1 2 1 1 125 ARG QB . 125 . HB# 1 1 562 1 1 1 1 122 THR HA . 122 . HA 1 1 562 1 2 1 1 126 GLU H . 126 . HN 1 1 563 1 1 1 1 122 THR HA . 122 . HA 1 1 563 1 2 1 1 125 ARG H . 125 . HN 1 1 564 1 1 1 1 122 THR HA . 122 . HA 1 1 564 1 2 1 1 124 MET H . 124 . HN 1 1 565 1 1 1 1 122 THR H . 122 . HN 1 1 565 1 2 1 1 124 MET H . 124 . HN 1 1 566 1 1 1 1 123 ILE HA . 123 . HA 1 1 566 1 2 1 1 126 GLU QB . 126 . HB# 1 1 567 1 1 1 1 123 ILE HA . 123 . HA 1 1 567 1 2 1 1 126 GLU H . 126 . HN 1 1 568 1 1 1 1 123 ILE H . 123 . HN 1 1 568 1 2 1 1 125 ARG H . 125 . HN 1 1 569 1 1 1 1 124 MET HA . 124 . HA 1 1 569 1 2 1 1 127 LYS QB . 127 . HB# 1 1 570 1 1 1 1 124 MET HA . 124 . HA 1 1 570 1 2 1 1 128 TYR H . 128 . HN 1 1 571 1 1 1 1 124 MET HA . 124 . HA 1 1 571 1 2 1 1 127 LYS H . 127 . HN 1 1 572 1 1 1 1 124 MET H . 124 . HN 1 1 572 1 2 1 1 126 GLU H . 126 . HN 1 1 573 1 1 1 1 124 MET HA . 124 . HA 1 1 573 1 2 1 1 128 TYR QD . 128 . HD# 1 1 574 1 1 1 1 124 MET ME . 124 . HE# 1 1 574 1 2 1 1 128 TYR QD . 128 . HD# 1 1 575 1 1 1 1 124 MET QB . 124 . HB# 1 1 575 1 2 1 1 128 TYR QD . 128 . HD# 1 1 576 1 1 1 1 124 MET HA . 124 . HA 1 1 576 1 2 1 1 128 TYR QE . 128 . HE# 1 1 577 1 1 1 1 124 MET ME . 124 . HE# 1 1 577 1 2 1 1 128 TYR QE . 128 . HE# 1 1 578 1 1 1 1 124 MET QB . 124 . HB# 1 1 578 1 2 1 1 128 TYR QE . 128 . HE# 1 1 579 1 1 1 1 125 ARG HA . 125 . HA 1 1 579 1 2 1 1 128 TYR QB . 128 . HB# 1 1 580 1 1 1 1 125 ARG HA . 125 . HA 1 1 580 1 2 1 1 128 TYR H . 128 . HN 1 1 581 1 1 1 1 125 ARG HA . 125 . HA 1 1 581 1 2 1 1 127 LYS H . 127 . HN 1 1 582 1 1 1 1 127 LYS HA . 127 . HA 1 1 582 1 2 1 1 130 LYS QB . 130 . HB# 1 1 583 1 1 1 1 129 SER H . 129 . HN 1 1 583 1 2 1 1 131 CYS H . 131 . HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 0.8 6.0 1 1 2 1 . . . . . 3.0 1.8 3.5 1 1 3 1 . . . . . 3.0 1.8 4.3 1 1 4 1 . . . . . 2.5 1.8 2.7 1 1 5 1 . . . . . 3.0 1.8 3.5 1 1 6 1 . . . . . 2.5 0.8 3.7 1 1 7 1 . . . . . 3.0 1.8 3.5 1 1 8 1 . . . . . 3.0 1.8 3.5 1 1 9 1 . . . . . 4.0 0.3 5.8 1 1 10 1 . . . . . 3.0 1.8 3.5 1 1 11 1 . . . . . 2.5 1.8 2.7 1 1 12 1 . . . . . 3.0 1.8 3.3 1 1 13 1 . . . . . 3.0 0.8 4.5 1 1 14 1 . . . . . 4.0 1.8 5.0 1 1 15 1 . . . . . 2.5 1.8 2.9 1 1 16 1 . . . . . 3.0 0.8 4.5 1 1 17 1 . . . . . 3.0 1.8 3.5 1 1 18 1 . . . . . 2.5 1.8 2.9 1 1 19 1 . . . . . 2.5 0.8 3.7 1 1 20 1 . . . . . 2.5 1.8 2.9 1 1 21 1 . . . . . 3.0 1.8 3.5 1 1 22 1 . . . . . 2.5 1.8 2.9 1 1 23 1 . . . . . 2.5 1.8 2.7 1 1 24 1 . . . . . 4.0 1.8 5.0 1 1 25 1 . . . . . 3.0 1.8 3.5 1 1 26 1 . . . . . 2.5 0.8 3.7 1 1 27 1 . . . . . 3.0 1.8 3.5 1 1 28 1 . . . . . 2.5 1.8 2.9 1 1 29 1 . . . . . 2.5 1.8 2.7 1 1 30 1 . . . . . 2.5 1.8 2.9 1 1 31 1 . . . . . 2.5 0.8 3.7 1 1 32 1 . . . . . 3.0 1.8 3.5 1 1 33 1 . . . . . 2.5 0.8 3.7 1 1 34 1 . . . . . 3.0 1.8 3.5 1 1 35 1 . . . . . 3.0 0.8 4.5 1 1 36 1 . . . . . 4.0 1.8 5.0 1 1 37 1 . . . . . 2.5 1.8 2.9 1 1 38 1 . . . . . 3.0 0.8 4.5 1 1 39 1 . . . . . 3.0 1.8 3.5 1 1 40 1 . . . . . 3.0 1.8 3.5 1 1 41 1 . . . . . 4.0 1.8 5.0 1 1 42 1 . . . . . 3.0 1.8 3.5 1 1 43 1 . . . . . 3.0 1.8 3.5 1 1 44 1 . . . . . 3.0 1.8 3.5 1 1 45 1 . . . . . 4.0 1.8 5.0 1 1 46 1 . . . . . 3.0 0.8 4.3 1 1 47 1 . . . . . 2.5 1.8 2.7 1 1 48 1 . . . . . 3.0 1.8 3.5 1 1 49 1 . . . . . 4.0 0.8 6.0 1 1 50 1 . . . . . 3.0 1.8 3.5 1 1 51 1 . . . . . 4.0 1.8 5.0 1 1 52 1 . . . . . 3.0 1.8 3.5 1 1 53 1 . . . . . 4.0 0.8 6.0 1 1 54 1 . . . . . 3.0 1.8 3.5 1 1 55 1 . . . . . 4.0 -0.7 7.5 1 1 56 1 . . . . . 3.0 0.8 4.5 1 1 57 1 . . . . . 3.0 1.8 3.5 1 1 58 1 . . . . . 4.0 0.3 6.5 1 1 59 1 . . . . . 4.0 1.8 5.0 1 1 60 1 . . . . . 3.0 1.8 3.5 1 1 61 1 . . . . . 4.0 1.8 5.0 1 1 62 1 . . . . . 4.0 -0.6 7.4 1 1 63 1 . . . . . 4.0 1.8 5.0 1 1 64 1 . . . . . 4.0 1.8 5.0 1 1 65 1 . . . . . 2.5 1.8 2.7 1 1 66 1 . . . . . 4.0 1.8 5.0 1 1 67 1 . . . . . 3.0 1.8 3.5 1 1 68 1 . . . . . 4.0 0.8 6.0 1 1 69 1 . . . . . 4.0 0.3 6.5 1 1 70 1 . . . . . 3.0 -1.7 6.8 1 1 71 1 . . . . . 3.0 -1.2 6.3 1 1 72 1 . . . . . 4.0 -1.7 8.5 1 1 73 1 . . . . . 3.0 -1.7 6.8 1 1 74 1 . . . . . 3.0 -1.2 6.3 1 1 75 1 . . . . . 3.0 0.3 4.8 1 1 76 1 . . . . . 3.0 0.8 4.3 1 1 77 1 . . . . . 4.0 0.3 6.5 1 1 78 1 . . . . . 3.0 0.8 4.5 1 1 79 1 . . . . . 3.0 1.8 3.5 1 1 80 1 . . . . . 2.5 1.8 2.9 1 1 81 1 . . . . . 3.0 1.8 3.5 1 1 82 1 . . . . . 3.0 1.8 3.5 1 1 83 1 . . . . . 3.0 0.3 5.0 1 1 84 1 . . . . . 2.5 1.8 2.7 1 1 85 1 . . . . . 4.0 1.8 5.0 1 1 86 1 . . . . . 3.0 0.8 4.5 1 1 87 1 . . . . . 4.0 0.8 6.0 1 1 88 1 . . . . . 2.5 1.8 2.9 1 1 89 1 . . . . . 3.0 1.8 3.5 1 1 90 1 . . . . . 3.0 1.8 3.5 1 1 91 1 . . . . . 4.0 1.8 5.0 1 1 92 1 . . . . . 3.0 1.8 3.5 1 1 93 1 . . . . . 2.5 0.8 3.7 1 1 94 1 . . . . . 4.0 1.8 5.0 1 1 95 1 . . . . . 3.0 1.8 3.5 1 1 96 1 . . . . . 3.0 1.8 3.5 1 1 97 1 . . . . . 3.0 1.8 3.5 1 1 98 1 . . . . . 4.0 -0.2 7.0 1 1 99 1 . . . . . 4.0 -1.7 8.5 1 1 100 1 . . . . . 3.0 0.8 4.5 1 1 101 1 . . . . . 4.0 1.8 5.0 1 1 102 1 . . . . . 3.0 1.8 3.5 1 1 103 1 . . . . . 3.0 0.8 4.5 1 1 104 1 . . . . . 2.5 1.8 2.9 1 1 105 1 . . . . . 3.0 0.8 4.5 1 1 106 1 . . . . . 2.5 1.8 2.9 1 1 107 1 . . . . . 3.0 0.3 5.0 1 1 108 1 . . . . . 3.0 1.8 3.5 1 1 109 1 . . . . . 2.5 1.8 2.9 1 1 110 1 . . . . . 4.0 1.8 5.0 1 1 111 1 . . . . . 3.0 1.8 3.5 1 1 112 1 . . . . . 2.5 1.8 2.9 1 1 113 1 . . . . . 3.0 0.3 4.8 1 1 114 1 . . . . . 3.0 1.8 3.5 1 1 115 1 . . . . . 4.0 1.8 5.0 1 1 116 1 . . . . . 3.0 1.8 3.5 1 1 117 1 . . . . . 3.0 1.8 3.5 1 1 118 1 . . . . . 2.5 0.8 3.7 1 1 119 1 . . . . . 3.0 1.8 3.5 1 1 120 1 . . . . . 3.0 1.8 3.5 1 1 121 1 . . . . . 3.0 0.8 4.5 1 1 122 1 . . . . . 3.0 1.8 3.5 1 1 123 1 . . . . . 4.0 -1.2 8.0 1 1 124 1 . . . . . 3.0 0.8 4.5 1 1 125 1 . . . . . 4.0 1.8 5.0 1 1 126 1 . . . . . 3.0 1.8 3.5 1 1 127 1 . . . . . 3.0 -0.2 5.3 1 1 128 1 . . . . . 3.0 0.8 4.5 1 1 129 1 . . . . . 2.5 1.8 2.9 1 1 130 1 . . . . . 3.0 0.8 4.5 1 1 131 1 . . . . . 2.5 1.8 2.9 1 1 132 1 . . . . . 3.0 0.8 4.5 1 1 133 1 . . . . . 4.0 1.8 5.0 1 1 134 1 . . . . . 3.0 1.8 3.5 1 1 135 1 . . . . . 3.0 1.8 3.5 1 1 136 1 . . . . . 4.0 0.8 6.0 1 1 137 1 . . . . . 4.0 1.8 5.0 1 1 138 1 . . . . . 3.0 1.8 3.5 1 1 139 1 . . . . . 3.0 0.8 4.5 1 1 140 1 . . . . . 3.0 1.8 3.5 1 1 141 1 . . . . . 3.0 1.8 3.5 1 1 142 1 . . . . . 4.0 0.8 6.0 1 1 143 1 . . . . . 3.0 1.8 3.5 1 1 144 1 . . . . . 2.5 0.8 3.7 1 1 145 1 . . . . . 4.0 1.8 5.0 1 1 146 1 . . . . . 3.0 0.3 5.0 1 1 147 1 . . . . . 2.5 1.8 2.9 1 1 148 1 . . . . . 2.5 0.8 3.7 1 1 149 1 . . . . . 3.0 0.8 4.5 1 1 150 1 . . . . . 3.0 1.8 3.5 1 1 151 1 . . . . . 2.5 1.8 2.9 1 1 152 1 . . . . . 3.0 0.8 4.5 1 1 153 1 . . . . . 4.0 1.8 5.0 1 1 154 1 . . . . . 3.0 0.8 4.5 1 1 155 1 . . . . . 3.0 1.8 3.5 1 1 156 1 . . . . . 3.0 1.8 3.5 1 1 157 1 . . . . . 3.0 0.8 4.5 1 1 158 1 . . . . . 4.0 1.8 5.0 1 1 159 1 . . . . . 4.0 1.8 5.0 1 1 160 1 . . . . . 3.0 0.8 4.5 1 1 161 1 . . . . . 2.5 1.8 2.9 1 1 162 1 . . . . . 2.5 0.8 3.7 1 1 163 1 . . . . . 3.0 1.8 3.5 1 1 164 1 . . . . . 2.5 1.8 2.9 1 1 165 1 . . . . . 3.0 0.8 4.5 1 1 166 1 . . . . . 4.0 1.8 5.0 1 1 167 1 . . . . . 3.0 0.8 4.5 1 1 168 1 . . . . . 2.5 1.8 2.9 1 1 169 1 . . . . . 2.5 1.8 2.7 1 1 170 1 . . . . . 4.0 1.8 5.0 1 1 171 1 . . . . . 2.5 1.8 2.9 1 1 172 1 . . . . . 2.5 0.8 3.7 1 1 173 1 . . . . . 3.0 1.8 3.5 1 1 174 1 . . . . . 3.0 1.8 3.3 1 1 175 1 . . . . . 4.0 0.8 6.0 1 1 176 1 . . . . . 4.0 1.8 5.0 1 1 177 1 . . . . . 2.5 1.8 2.9 1 1 178 1 . . . . . 3.0 0.8 4.5 1 1 179 1 . . . . . 4.0 1.8 5.0 1 1 180 1 . . . . . 2.5 1.8 2.9 1 1 181 1 . . . . . 3.0 -1.6 6.7 1 1 182 1 . . . . . 3.0 -1.6 6.7 1 1 183 1 . . . . . 3.0 0.8 4.5 1 1 184 1 . . . . . 4.0 1.8 5.0 1 1 185 1 . . . . . 2.5 1.8 2.9 1 1 186 1 . . . . . 2.5 0.8 3.7 1 1 187 1 . . . . . 3.0 1.8 3.5 1 1 188 1 . . . . . 2.5 1.8 2.9 1 1 189 1 . . . . . 2.5 0.8 3.7 1 1 190 1 . . . . . 3.0 1.8 3.5 1 1 191 1 . . . . . 3.0 1.8 3.5 1 1 192 1 . . . . . 2.5 0.8 3.7 1 1 193 1 . . . . . 2.5 1.8 2.9 1 1 194 1 . . . . . 2.5 0.8 3.7 1 1 195 1 . . . . . 3.0 1.8 3.5 1 1 196 1 . . . . . 3.0 1.8 3.5 1 1 197 1 . . . . . 4.0 0.8 6.0 1 1 198 1 . . . . . 4.0 1.8 5.0 1 1 199 1 . . . . . 2.5 1.8 2.9 1 1 200 1 . . . . . 4.0 1.8 5.0 1 1 201 1 . . . . . 3.0 1.8 3.5 1 1 202 1 . . . . . 2.5 0.8 3.7 1 1 203 1 . . . . . 4.0 1.8 5.0 1 1 204 1 . . . . . 2.5 1.8 2.9 1 1 205 1 . . . . . 3.0 0.8 4.5 1 1 206 1 . . . . . 2.5 1.8 2.9 1 1 207 1 . . . . . 2.5 1.8 2.9 1 1 208 1 . . . . . 2.5 0.3 4.2 1 1 209 1 . . . . . 3.0 1.8 3.5 1 1 210 1 . . . . . 2.5 1.8 2.9 1 1 211 1 . . . . . 2.5 0.8 3.7 1 1 212 1 . . . . . 2.5 1.8 2.9 1 1 213 1 . . . . . 4.0 0.8 6.0 1 1 214 1 . . . . . 4.0 0.8 6.0 1 1 215 1 . . . . . 2.5 0.8 3.7 1 1 216 1 . . . . . 4.0 0.8 6.0 1 1 217 1 . . . . . 3.0 0.8 4.5 1 1 218 1 . . . . . 3.0 1.8 3.5 1 1 219 1 . . . . . 2.5 1.8 2.7 1 1 220 1 . . . . . 3.0 0.8 4.5 1 1 221 1 . . . . . 3.0 0.8 4.5 1 1 222 1 . . . . . 2.5 0.3 4.2 1 1 223 1 . . . . . 2.5 1.8 2.7 1 1 224 1 . . . . . 4.0 0.8 6.0 1 1 225 1 . . . . . 4.0 1.8 5.0 1 1 226 1 . . . . . 3.0 0.8 4.5 1 1 227 1 . . . . . 4.0 1.8 5.0 1 1 228 1 . . . . . 2.5 1.8 2.7 1 1 229 1 . . . . . 4.0 1.8 5.0 1 1 230 1 . . . . . 4.0 0.3 6.5 1 1 231 1 . . . . . 2.5 1.8 2.7 1 1 232 1 . . . . . 4.0 0.8 6.0 1 1 233 1 . . . . . 3.0 1.8 3.5 1 1 234 1 . . . . . 3.0 0.8 4.5 1 1 235 1 . . . . . 3.0 1.8 3.5 1 1 236 1 . . . . . 3.0 1.8 3.5 1 1 237 1 . . . . . 3.0 0.8 4.5 1 1 238 1 . . . . . 2.5 1.8 2.9 1 1 239 1 . . . . . 3.0 0.8 4.5 1 1 240 1 . . . . . 4.0 1.8 5.0 1 1 241 1 . . . . . 3.0 1.8 3.5 1 1 242 1 . . . . . 3.0 1.8 3.5 1 1 243 1 . . . . . 3.0 1.8 3.5 1 1 244 1 . . . . . 2.5 0.8 3.7 1 1 245 1 . . . . . 3.0 1.8 3.5 1 1 246 1 . . . . . 2.5 1.8 2.9 1 1 247 1 . . . . . 3.0 0.8 4.5 1 1 248 1 . . . . . 4.0 1.8 5.0 1 1 249 1 . . . . . 2.5 1.8 2.9 1 1 250 1 . . . . . 2.5 0.8 3.7 1 1 251 1 . . . . . 3.0 1.8 3.5 1 1 252 1 . . . . . 2.5 1.8 2.9 1 1 253 1 . . . . . 3.0 -0.7 5.8 1 1 254 1 . . . . . 3.0 -0.7 5.8 1 1 255 1 . . . . . 2.5 1.8 2.7 1 1 256 1 . . . . . 3.0 1.8 3.5 1 1 257 1 . . . . . 2.5 1.8 2.9 1 1 258 1 . . . . . 2.5 1.8 2.7 1 1 259 1 . . . . . 3.0 1.8 3.5 1 1 260 1 . . . . . 2.5 1.8 2.9 1 1 261 1 . . . . . 3.0 0.3 4.8 1 1 262 1 . . . . . 4.0 -0.7 7.5 1 1 263 1 . . . . . 3.0 0.8 4.5 1 1 264 1 . . . . . 3.0 1.8 3.5 1 1 265 1 . . . . . 3.0 1.8 3.5 1 1 266 1 . . . . . 2.5 0.8 3.7 1 1 267 1 . . . . . 3.0 1.8 3.5 1 1 268 1 . . . . . 2.5 1.8 2.9 1 1 269 1 . . . . . 2.5 0.8 3.7 1 1 270 1 . . . . . 3.0 1.8 3.5 1 1 271 1 . . . . . 4.0 1.8 5.0 1 1 272 1 . . . . . 2.5 1.8 2.9 1 1 273 1 . . . . . 3.0 0.8 4.5 1 1 274 1 . . . . . 3.0 1.8 3.5 1 1 275 1 . . . . . 2.5 1.8 2.9 1 1 276 1 . . . . . 3.0 1.8 3.5 1 1 277 1 . . . . . 3.0 0.8 4.5 1 1 278 1 . . . . . 3.0 1.8 3.5 1 1 279 1 . . . . . 2.5 1.8 2.9 1 1 280 1 . . . . . 2.5 1.8 2.9 1 1 281 1 . . . . . 4.0 0.8 6.0 1 1 282 1 . . . . . 2.5 1.8 2.7 1 1 283 1 . . . . . 4.0 1.8 5.0 1 1 284 1 . . . . . 4.0 1.8 5.0 1 1 285 1 . . . . . 4.0 0.8 6.0 1 1 286 1 . . . . . 4.0 0.8 6.0 1 1 287 1 . . . . . 4.0 1.8 5.0 1 1 288 1 . . . . . 4.0 1.8 5.0 1 1 289 1 . . . . . 3.0 0.8 4.3 1 1 290 1 . . . . . 4.0 0.8 6.0 1 1 291 1 . . . . . 4.0 1.8 5.0 1 1 292 1 . . . . . 3.0 0.3 4.8 1 1 293 1 . . . . . 3.0 -0.7 5.8 1 1 294 1 . . . . . 3.0 -1.2 6.3 1 1 295 1 . . . . . 4.0 -0.7 7.5 1 1 296 1 . . . . . 3.0 1.8 3.3 1 1 297 1 . . . . . 4.0 1.8 5.0 1 1 298 1 . . . . . 3.0 -2.1 7.2 1 1 299 1 . . . . . 4.0 0.3 6.5 1 1 300 1 . . . . . 4.0 -0.7 7.5 1 1 301 1 . . . . . 3.0 0.3 4.8 1 1 302 1 . . . . . 3.0 1.8 3.3 1 1 303 1 . . . . . 4.0 1.8 5.0 1 1 304 1 . . . . . 4.0 1.8 5.0 1 1 305 1 . . . . . 4.0 1.8 5.0 1 1 306 1 . . . . . 3.0 0.3 4.8 1 1 307 1 . . . . . 3.0 0.3 4.8 1 1 308 1 . . . . . 3.0 0.8 4.3 1 1 309 1 . . . . . 4.0 1.8 5.0 1 1 310 1 . . . . . 3.0 0.8 4.3 1 1 311 1 . . . . . 3.0 1.8 3.3 1 1 312 1 . . . . . 4.0 1.8 5.0 1 1 313 1 . . . . . 4.0 1.8 5.0 1 1 314 1 . . . . . 4.0 0.3 6.5 1 1 315 1 . . . . . 3.0 0.8 4.3 1 1 316 1 . . . . . 4.0 1.8 5.0 1 1 317 1 . . . . . 4.0 1.8 5.0 1 1 318 1 . . . . . 4.0 1.8 5.0 1 1 319 1 . . . . . 3.0 0.8 4.3 1 1 320 1 . . . . . 4.0 1.8 5.0 1 1 321 1 . . . . . 3.0 0.8 4.3 1 1 322 1 . . . . . 4.0 1.8 5.0 1 1 323 1 . . . . . 4.0 1.8 5.0 1 1 324 1 . . . . . 3.0 0.8 4.3 1 1 325 1 . . . . . 4.0 1.8 5.0 1 1 326 1 . . . . . 4.0 1.8 5.0 1 1 327 1 . . . . . 4.0 1.8 5.0 1 1 328 1 . . . . . 4.0 1.8 5.0 1 1 329 1 . . . . . 4.0 0.3 6.5 1 1 330 1 . . . . . 3.0 0.8 4.3 1 1 331 1 . . . . . 4.0 0.8 6.0 1 1 332 1 . . . . . 4.0 1.8 5.0 1 1 333 1 . . . . . 4.0 1.8 5.0 1 1 334 1 . . . . . 4.0 1.8 5.0 1 1 335 1 . . . . . 4.0 1.8 5.0 1 1 336 1 . . . . . 4.0 1.8 5.0 1 1 337 1 . . . . . 4.0 0.8 6.0 1 1 338 1 . . . . . 4.0 0.8 6.0 1 1 339 1 . . . . . 4.0 1.8 5.0 1 1 340 1 . . . . . 4.0 1.8 5.0 1 1 341 1 . . . . . 3.0 0.8 4.3 1 1 342 1 . . . . . 4.0 1.8 5.0 1 1 343 1 . . . . . 4.0 0.3 6.5 1 1 344 1 . . . . . 4.0 0.3 6.5 1 1 345 1 . . . . . 4.0 1.8 5.0 1 1 346 1 . . . . . 4.0 -1.6 8.4 1 1 347 1 . . . . . 4.0 1.8 5.0 1 1 348 1 . . . . . 4.0 0.3 6.5 1 1 349 1 . . . . . 3.0 0.3 4.8 1 1 350 1 . . . . . 3.0 0.3 4.8 1 1 351 1 . . . . . 3.0 -1.2 6.3 1 1 352 1 . . . . . 4.0 1.8 5.0 1 1 353 1 . . . . . 4.0 1.8 5.0 1 1 354 1 . . . . . 4.0 1.8 5.0 1 1 355 1 . . . . . 3.0 0.8 4.3 1 1 356 1 . . . . . 3.0 -0.7 5.8 1 1 357 1 . . . . . 4.0 1.8 5.0 1 1 358 1 . . . . . 4.0 1.8 5.0 1 1 359 1 . . . . . 3.0 1.8 3.3 1 1 360 1 . . . . . 3.0 -1.2 6.3 1 1 361 1 . . . . . 3.0 0.8 4.3 1 1 362 1 . . . . . 4.0 0.8 6.0 1 1 363 1 . . . . . 4.0 1.8 5.0 1 1 364 1 . . . . . 3.0 -0.2 5.3 1 1 365 1 . . . . . 3.0 0.8 4.3 1 1 366 1 . . . . . 4.0 1.8 5.0 1 1 367 1 . . . . . 4.0 1.8 5.0 1 1 368 1 . . . . . 3.0 0.8 4.3 1 1 369 1 . . . . . 4.0 1.8 5.0 1 1 370 1 . . . . . 4.0 1.8 5.0 1 1 371 1 . . . . . 4.0 1.8 5.0 1 1 372 1 . . . . . 3.0 -1.2 6.3 1 1 373 1 . . . . . 4.0 0.8 6.0 1 1 374 1 . . . . . 3.0 0.3 4.8 1 1 375 1 . . . . . 4.0 1.8 5.0 1 1 376 1 . . . . . 4.0 1.8 5.0 1 1 377 1 . . . . . 4.0 0.3 6.5 1 1 378 1 . . . . . 4.0 1.8 5.0 1 1 379 1 . . . . . 4.0 0.3 6.5 1 1 380 1 . . . . . 3.0 1.8 3.3 1 1 381 1 . . . . . 4.0 1.8 5.0 1 1 382 1 . . . . . 4.0 1.8 5.0 1 1 383 1 . . . . . 4.0 1.8 5.0 1 1 384 1 . . . . . 3.0 1.8 3.3 1 1 385 1 . . . . . 4.0 1.8 5.0 1 1 386 1 . . . . . 4.0 1.8 5.0 1 1 387 1 . . . . . 4.0 1.8 5.0 1 1 388 1 . . . . . 4.0 0.3 6.5 1 1 389 1 . . . . . 4.0 0.3 6.5 1 1 390 1 . . . . . 3.0 0.3 4.8 1 1 391 1 . . . . . 3.0 -2.1 7.2 1 1 392 1 . . . . . 4.0 0.8 6.0 1 1 393 1 . . . . . 4.0 1.8 5.0 1 1 394 1 . . . . . 3.0 0.3 4.8 1 1 395 1 . . . . . 3.0 0.3 4.8 1 1 396 1 . . . . . 4.0 0.8 6.0 1 1 397 1 . . . . . 4.0 0.8 6.0 1 1 398 1 . . . . . 4.0 0.8 6.0 1 1 399 1 . . . . . 4.0 1.8 5.0 1 1 400 1 . . . . . 4.0 1.8 5.0 1 1 401 1 . . . . . 4.0 0.8 6.0 1 1 402 1 . . . . . 4.0 1.8 5.0 1 1 403 1 . . . . . 4.0 0.8 6.0 1 1 404 1 . . . . . 4.0 1.8 5.0 1 1 405 1 . . . . . 4.0 0.8 6.0 1 1 406 1 . . . . . 4.0 1.8 5.0 1 1 407 1 . . . . . 4.0 1.8 5.0 1 1 408 1 . . . . . 3.0 1.8 3.3 1 1 409 1 . . . . . 4.0 0.8 6.0 1 1 410 1 . . . . . 4.0 -1.2 8.0 1 1 411 1 . . . . . 4.0 0.8 6.0 1 1 412 1 . . . . . 4.0 1.8 5.0 1 1 413 1 . . . . . 4.0 1.8 5.0 1 1 414 1 . . . . . 4.0 1.8 5.0 1 1 415 1 . . . . . 4.0 1.8 5.0 1 1 416 1 . . . . . 4.0 0.8 6.0 1 1 417 1 . . . . . 4.0 1.8 5.0 1 1 418 1 . . . . . 4.0 1.8 5.0 1 1 419 1 . . . . . 3.0 0.8 4.3 1 1 420 1 . . . . . 4.0 1.8 5.0 1 1 421 1 . . . . . 3.0 0.8 4.3 1 1 422 1 . . . . . 4.0 1.8 5.0 1 1 423 1 . . . . . 3.0 1.8 3.3 1 1 424 1 . . . . . 3.0 -0.6 5.7 1 1 425 1 . . . . . 4.0 -0.6 7.4 1 1 426 1 . . . . . 4.0 0.8 6.0 1 1 427 1 . . . . . 4.0 -2.1 8.9 1 1 428 1 . . . . . 4.0 1.8 5.0 1 1 429 1 . . . . . 4.0 0.8 6.0 1 1 430 1 . . . . . 4.0 -0.2 7.0 1 1 431 1 . . . . . 4.0 1.8 5.0 1 1 432 1 . . . . . 4.0 -0.7 7.5 1 1 433 1 . . . . . 4.0 -0.7 7.5 1 1 434 1 . . . . . 3.0 0.8 4.3 1 1 435 1 . . . . . 4.0 -0.7 7.5 1 1 436 1 . . . . . 4.0 0.8 6.0 1 1 437 1 . . . . . 4.0 1.8 5.0 1 1 438 1 . . . . . 4.0 0.8 6.0 1 1 439 1 . . . . . 4.0 1.8 5.0 1 1 440 1 . . . . . 4.0 1.8 5.0 1 1 441 1 . . . . . 4.0 0.8 6.0 1 1 442 1 . . . . . 4.0 1.8 5.0 1 1 443 1 . . . . . 4.0 1.8 5.0 1 1 444 1 . . . . . 4.0 0.8 6.0 1 1 445 1 . . . . . 4.0 1.8 5.0 1 1 446 1 . . . . . 4.0 0.8 6.0 1 1 447 1 . . . . . 4.0 0.8 6.0 1 1 448 1 . . . . . 4.0 1.8 5.0 1 1 449 1 . . . . . 4.0 1.8 5.0 1 1 450 1 . . . . . 4.0 0.8 6.0 1 1 451 1 . . . . . 4.0 1.8 5.0 1 1 452 1 . . . . . 4.0 1.8 5.0 1 1 453 1 . . . . . 4.0 0.3 6.5 1 1 454 1 . . . . . 3.0 -0.6 5.7 1 1 455 1 . . . . . 4.0 -0.6 7.4 1 1 456 1 . . . . . 4.0 1.8 5.0 1 1 457 1 . . . . . 4.0 1.8 5.0 1 1 458 1 . . . . . 4.0 1.8 5.0 1 1 459 1 . . . . . 4.0 1.8 5.0 1 1 460 1 . . . . . 4.0 0.3 6.5 1 1 461 1 . . . . . 3.0 0.8 4.3 1 1 462 1 . . . . . 4.0 1.8 5.0 1 1 463 1 . . . . . 4.0 1.8 5.0 1 1 464 1 . . . . . 4.0 0.8 6.0 1 1 465 1 . . . . . 3.0 0.8 4.3 1 1 466 1 . . . . . 4.0 0.8 6.0 1 1 467 1 . . . . . 4.0 1.8 5.0 1 1 468 1 . . . . . 4.0 1.8 5.0 1 1 469 1 . . . . . 4.0 1.8 5.0 1 1 470 1 . . . . . 4.0 -0.2 7.0 1 1 471 1 . . . . . 4.0 -0.2 7.0 1 1 472 1 . . . . . 3.0 0.8 4.3 1 1 473 1 . . . . . 4.0 1.8 5.0 1 1 474 1 . . . . . 4.0 1.8 5.0 1 1 475 1 . . . . . 4.0 1.8 5.0 1 1 476 1 . . . . . 3.0 -0.6 5.7 1 1 477 1 . . . . . 3.0 0.8 4.3 1 1 478 1 . . . . . 4.0 1.8 5.0 1 1 479 1 . . . . . 3.0 0.8 4.3 1 1 480 1 . . . . . 4.0 1.8 5.0 1 1 481 1 . . . . . 4.0 1.8 5.0 1 1 482 1 . . . . . 4.0 1.8 5.0 1 1 483 1 . . . . . 4.0 0.8 6.0 1 1 484 1 . . . . . 4.0 1.8 5.0 1 1 485 1 . . . . . 3.0 -0.6 5.7 1 1 486 1 . . . . . 4.0 0.8 6.0 1 1 487 1 . . . . . 4.0 1.8 5.0 1 1 488 1 . . . . . 4.0 1.8 5.0 1 1 489 1 . . . . . 4.0 1.8 5.0 1 1 490 1 . . . . . 4.0 0.8 6.0 1 1 491 1 . . . . . 4.0 1.8 5.0 1 1 492 1 . . . . . 4.0 1.8 5.0 1 1 493 1 . . . . . 4.0 0.8 6.0 1 1 494 1 . . . . . 4.0 1.8 5.0 1 1 495 1 . . . . . 4.0 0.8 6.0 1 1 496 1 . . . . . 4.0 1.8 5.0 1 1 497 1 . . . . . 4.0 1.8 5.0 1 1 498 1 . . . . . 4.0 -0.6 7.4 1 1 499 1 . . . . . 4.0 0.8 6.0 1 1 500 1 . . . . . 4.0 1.8 5.0 1 1 501 1 . . . . . 4.0 1.8 5.0 1 1 502 1 . . . . . 4.0 1.8 5.0 1 1 503 1 . . . . . 4.0 0.8 6.0 1 1 504 1 . . . . . 4.0 1.8 5.0 1 1 505 1 . . . . . 4.0 1.8 5.0 1 1 506 1 . . . . . 4.0 1.8 5.0 1 1 507 1 . . . . . 4.0 1.8 5.0 1 1 508 1 . . . . . 4.0 0.8 6.0 1 1 509 1 . . . . . 4.0 1.8 5.0 1 1 510 1 . . . . . 4.0 -0.6 7.4 1 1 511 1 . . . . . 4.0 0.3 6.5 1 1 512 1 . . . . . 4.0 1.8 5.0 1 1 513 1 . . . . . 4.0 0.8 7.0 1 1 514 1 . . . . . 4.0 0.3 6.5 1 1 515 1 . . . . . 4.0 0.3 6.5 1 1 516 1 . . . . . 2.5 -2.1 6.6 1 1 517 1 . . . . . 4.0 -0.2 7.0 1 1 518 1 . . . . . 4.0 -1.6 8.4 1 1 519 1 . . . . . 4.0 1.8 5.0 1 1 520 1 . . . . . 4.0 1.8 6.0 1 1 521 1 . . . . . 4.0 1.8 5.0 1 1 522 1 . . . . . 4.0 -0.7 7.5 1 1 523 1 . . . . . 4.0 -0.7 7.5 1 1 524 1 . . . . . 4.0 0.8 6.0 1 1 525 1 . . . . . 4.0 0.8 6.0 1 1 526 1 . . . . . 4.0 0.8 6.0 1 1 527 1 . . . . . 3.0 -0.6 5.7 1 1 528 1 . . . . . 3.0 -0.6 5.7 1 1 529 1 . . . . . 4.0 -1.6 8.4 1 1 530 1 . . . . . 4.0 -0.2 4.7 1 1 531 1 . . . . . 3.0 -2.6 7.7 1 1 532 1 . . . . . 3.0 -2.6 7.7 1 1 533 1 . . . . . 4.0 0.8 6.0 1 1 534 1 . . . . . 4.0 0.8 6.0 1 1 535 1 . . . . . 4.0 1.8 5.0 1 1 536 1 . . . . . 4.0 1.8 5.0 1 1 537 1 . . . . . 3.0 0.8 4.3 1 1 538 1 . . . . . 4.0 0.8 6.0 1 1 539 1 . . . . . 4.0 1.8 5.0 1 1 540 1 . . . . . 4.0 1.8 5.0 1 1 541 1 . . . . . 4.0 1.8 5.0 1 1 542 1 . . . . . 3.0 0.8 4.3 1 1 543 1 . . . . . 4.0 0.8 6.0 1 1 544 1 . . . . . 4.0 1.8 5.0 1 1 545 1 . . . . . 4.0 1.8 5.0 1 1 546 1 . . . . . 3.0 -0.6 5.7 1 1 547 1 . . . . . 4.0 -1.6 8.4 1 1 548 1 . . . . . 4.0 1.8 5.0 1 1 549 1 . . . . . 4.0 1.8 5.0 1 1 550 1 . . . . . 4.0 1.8 5.0 1 1 551 1 . . . . . 3.0 -0.7 5.8 1 1 552 1 . . . . . 3.0 1.8 3.3 1 1 553 1 . . . . . 4.0 1.8 5.0 1 1 554 1 . . . . . 3.0 1.8 3.3 1 1 555 1 . . . . . 4.4 1.8 5.4 1 1 556 1 . . . . . 4.0 1.8 5.0 1 1 557 1 . . . . . 4.0 0.8 6.0 1 1 558 1 . . . . . 4.0 1.8 5.0 1 1 559 1 . . . . . 4.0 1.8 5.0 1 1 560 1 . . . . . 4.0 1.8 5.0 1 1 561 1 . . . . . 3.0 0.8 4.3 1 1 562 1 . . . . . 4.0 1.8 5.0 1 1 563 1 . . . . . 4.0 1.8 5.0 1 1 564 1 . . . . . 4.0 1.8 5.0 1 1 565 1 . . . . . 4.0 1.8 5.0 1 1 566 1 . . . . . 3.0 0.8 4.3 1 1 567 1 . . . . . 4.0 1.8 5.0 1 1 568 1 . . . . . 4.0 1.8 5.0 1 1 569 1 . . . . . 4.0 0.8 6.0 1 1 570 1 . . . . . 4.0 1.8 5.0 1 1 571 1 . . . . . 4.0 1.8 5.0 1 1 572 1 . . . . . 4.0 1.8 5.0 1 1 573 1 . . . . . 3.0 -0.2 5.3 1 1 574 1 . . . . . 3.0 -1.7 6.8 1 1 575 1 . . . . . 3.0 -1.2 6.3 1 1 576 1 . . . . . 4.0 -0.2 7.0 1 1 577 1 . . . . . 4.0 -1.7 8.5 1 1 578 1 . . . . . 4.0 -1.2 8.0 1 1 579 1 . . . . . 4.0 0.8 6.0 1 1 580 1 . . . . . 4.0 1.8 5.0 1 1 581 1 . . . . . 4.0 1.8 5.0 1 1 582 1 . . . . . 4.0 0.8 6.0 1 1 583 1 . . . . . 4.0 1.8 5.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 . . . 1 2 35 1 . . . 1 2 36 1 . . . 1 2 37 1 . . . 1 2 38 1 . . . 1 2 39 1 . . . 1 2 40 1 . . . 1 2 41 1 . . . 1 2 42 1 . . . 1 2 43 1 . . . 1 2 44 1 . . . 1 2 45 1 . . . 1 2 46 1 . . . 1 2 47 1 . . . 1 2 48 1 . . . 1 2 49 1 . . . 1 2 50 1 . . . 1 2 51 1 . . . 1 2 52 1 . . . 1 2 53 1 . . . 1 2 54 1 . . . 1 2 55 1 . . . 1 2 56 1 . . . 1 2 57 1 . . . 1 2 58 1 . . . 1 2 59 1 . . . 1 2 60 1 . . . 1 2 61 1 . . . 1 2 62 1 . . . 1 2 63 1 . . . 1 2 64 1 . . . 1 2 65 1 . . . 1 2 66 1 . . . 1 2 67 1 . . . 1 2 68 1 . . . 1 2 69 1 . . . 1 2 70 1 . . . 1 2 71 1 . . . 1 2 72 1 . . . 1 2 73 1 . . . 1 2 74 1 . . . 1 2 75 1 . . . 1 2 76 1 . . . 1 2 77 1 . . . 1 2 78 1 . . . 1 2 79 1 . . . 1 2 80 1 . . . 1 2 81 1 . . . 1 2 82 1 . . . 1 2 83 1 . . . 1 2 84 1 . . . 1 2 85 1 . . . 1 2 86 1 . . . 1 2 87 1 . . . 1 2 88 1 . . . 1 2 89 1 . . . 1 2 90 1 . . . 1 2 91 1 . . . 1 2 92 1 . . . 1 2 93 1 . . . 1 2 94 1 . . . 1 2 95 1 . . . 1 2 96 1 . . . 1 2 97 1 . . . 1 2 98 1 . . . 1 2 99 1 . . . 1 2 100 1 . . . 1 2 101 1 . . . 1 2 102 1 . . . 1 2 103 1 . . . 1 2 104 1 . . . 1 2 105 1 . . . 1 2 106 1 . . . 1 2 107 1 . . . 1 2 108 1 . . . 1 2 109 1 . . . 1 2 110 1 . . . 1 2 111 1 . . . 1 2 112 1 . . . 1 2 113 1 . . . 1 2 114 1 . . . 1 2 115 1 . . . 1 2 116 1 . . . 1 2 117 1 . . . 1 2 118 1 . . . 1 2 119 1 . . . 1 2 120 1 . . . 1 2 121 1 . . . 1 2 122 1 . . . 1 2 123 1 . . . 1 2 124 1 . . . 1 2 125 1 . . . 1 2 126 1 . . . 1 2 127 1 . . . 1 2 128 1 . . . 1 2 129 1 . . . 1 2 130 1 . . . 1 2 131 1 . . . 1 2 132 1 . . . 1 2 133 1 . . . 1 2 134 1 . . . 1 2 135 1 . . . 1 2 136 1 . . . 1 2 137 1 . . . 1 2 138 1 . . . 1 2 139 1 . . . 1 2 140 1 . . . 1 2 141 1 . . . 1 2 142 1 . . . 1 2 143 1 . . . 1 2 144 1 . . . 1 2 145 1 . . . 1 2 146 1 . . . 1 2 147 1 . . . 1 2 148 1 . . . 1 2 149 1 . . . 1 2 150 1 . . . 1 2 151 1 . . . 1 2 152 1 . . . 1 2 153 1 . . . 1 2 154 1 . . . 1 2 155 1 . . . 1 2 156 1 . . . 1 2 157 1 . . . 1 2 158 1 . . . 1 2 159 1 . . . 1 2 160 1 . . . 1 2 161 1 . . . 1 2 162 1 . . . 1 2 163 1 . . . 1 2 164 1 . . . 1 2 165 1 . . . 1 2 166 1 . . . 1 2 167 1 . . . 1 2 168 1 . . . 1 2 169 1 . . . 1 2 170 1 . . . 1 2 171 1 . . . 1 2 172 1 . . . 1 2 173 1 . . . 1 2 174 1 . . . 1 2 175 1 . . . 1 2 176 1 . . . 1 2 177 1 . . . 1 2 178 1 . . . 1 2 179 1 . . . 1 2 180 1 . . . 1 2 181 1 . . . 1 2 182 1 . . . 1 2 183 1 . . . 1 2 184 1 . . . 1 2 185 1 . . . 1 2 186 1 . . . 1 2 187 1 . . . 1 2 188 1 . . . 1 2 189 1 . . . 1 2 190 1 . . . 1 2 191 1 . . . 1 2 192 1 . . . 1 2 193 1 . . . 1 2 194 1 . . . 1 2 195 1 . . . 1 2 196 1 . . . 1 2 197 1 . . . 1 2 198 1 . . . 1 2 199 1 . . . 1 2 200 1 . . . 1 2 201 1 . . . 1 2 202 1 . . . 1 2 203 1 . . . 1 2 204 1 . . . 1 2 205 1 . . . 1 2 206 1 . . . 1 2 207 1 . . . 1 2 208 1 . . . 1 2 209 1 . . . 1 2 210 1 . . . 1 2 211 1 . . . 1 2 212 1 . . . 1 2 213 1 . . . 1 2 214 1 . . . 1 2 215 1 . . . 1 2 216 1 . . . 1 2 217 1 . . . 1 2 218 1 . . . 1 2 219 1 . . . 1 2 220 1 . . . 1 2 221 1 . . . 1 2 222 1 . . . 1 2 223 1 . . . 1 2 224 1 . . . 1 2 225 1 . . . 1 2 226 1 . . . 1 2 227 1 . . . 1 2 228 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 10 THR MG . 10 . HG2# 1 2 1 1 2 1 1 97 LEU QD . 97 . HD* 1 2 2 1 1 1 1 10 THR HB . 10 . HB 1 2 2 1 2 1 1 97 LEU QD . 97 . HD* 1 2 3 1 1 1 1 10 THR HA . 10 . HA 1 2 3 1 2 1 1 97 LEU QD . 97 . HD* 1 2 4 1 1 1 1 10 THR MG . 10 . HG2# 1 2 4 1 2 1 1 93 ASN HA . 93 . HA 1 2 5 1 1 1 1 10 THR MG . 10 . HG2# 1 2 5 1 2 1 1 93 ASN QB . 93 . HB# 1 2 6 1 1 1 1 11 LEU QD . 11 . HD* 1 2 6 1 2 1 1 46 LYS QB . 46 . HB# 1 2 7 1 1 1 1 11 LEU QD . 11 . HD* 1 2 7 1 2 1 1 124 MET ME . 124 . HE# 1 2 8 1 1 1 1 11 LEU HG . 11 . HG 1 2 8 1 2 1 1 128 TYR QD . 128 . HD# 1 2 9 1 1 1 1 11 LEU QB . 11 . HB# 1 2 9 1 2 1 1 128 TYR QD . 128 . HD# 1 2 10 1 1 1 1 11 LEU QD . 11 . HD* 1 2 10 1 2 1 1 128 TYR QD . 128 . HD# 1 2 11 1 1 1 1 11 LEU QD . 11 . HD* 1 2 11 1 2 1 1 128 TYR HA . 128 . HA 1 2 12 1 1 1 1 11 LEU QD . 11 . HD* 1 2 12 1 2 1 1 128 TYR QB . 128 . HB# 1 2 13 1 1 1 1 11 LEU QD . 11 . HD* 1 2 13 1 2 1 1 128 TYR QE . 128 . HE# 1 2 14 1 1 1 1 14 ILE HA . 14 . HA 1 2 14 1 2 1 1 90 LEU QD . 90 . HD* 1 2 15 1 1 1 1 14 ILE HG13 . 14 . HG11 1 2 15 1 2 1 1 90 LEU HA . 90 . HA 1 2 16 1 1 1 1 14 ILE HG13 . 14 . HG11 1 2 16 1 2 1 1 93 ASN QB . 93 . HB# 1 2 17 1 1 1 1 14 ILE HG12 . 14 . HG12 1 2 17 1 2 1 1 93 ASN QB . 93 . HB# 1 2 18 1 1 1 1 14 ILE MD . 14 . HD# 1 2 18 1 2 1 1 93 ASN QB . 93 . HB# 1 2 19 1 1 1 1 14 ILE MD . 14 . HD# 1 2 19 1 2 1 1 97 LEU QB . 97 . HB# 1 2 20 1 1 1 1 14 ILE MG . 14 . HG2# 1 2 20 1 2 1 1 124 MET ME . 124 . HE# 1 2 21 1 1 1 1 14 ILE MG . 14 . HG2# 1 2 21 1 2 1 1 124 MET QB . 124 . HB# 1 2 22 1 1 1 1 14 ILE MG . 14 . HG2# 1 2 22 1 2 1 1 124 MET QG . 124 . HG# 1 2 23 1 1 1 1 15 ILE QG . 15 . HG1# 1 2 23 1 2 1 1 124 MET HA . 124 . HA 1 2 24 1 1 1 1 15 ILE MD . 15 . HD# 1 2 24 1 2 1 1 124 MET QB . 124 . HB# 1 2 25 1 1 1 1 15 ILE MG . 15 . HG2# 1 2 25 1 2 1 1 124 MET QB . 124 . HB# 1 2 26 1 1 1 1 15 ILE QG . 15 . HG1# 1 2 26 1 2 1 1 124 MET QG . 124 . HG# 1 2 27 1 1 1 1 15 ILE QG . 15 . HG1# 1 2 27 1 2 1 1 124 MET ME . 124 . HE# 1 2 28 1 1 1 1 15 ILE MD . 15 . HD# 1 2 28 1 2 1 1 124 MET ME . 124 . HE# 1 2 29 1 1 1 1 15 ILE MD . 15 . HD# 1 2 29 1 2 1 1 128 TYR QB . 128 . HB# 1 2 30 1 1 1 1 15 ILE MD . 15 . HD# 1 2 30 1 2 1 1 128 TYR QD . 128 . HD# 1 2 31 1 1 1 1 15 ILE QG . 15 . HG1# 1 2 31 1 2 1 1 128 TYR QD . 128 . HD# 1 2 32 1 1 1 1 15 ILE MG . 15 . HG2# 1 2 32 1 2 1 1 128 TYR QD . 128 . HD# 1 2 33 1 1 1 1 15 ILE QG . 15 . HG1# 1 2 33 1 2 1 1 128 TYR QE . 128 . HE# 1 2 34 1 1 1 1 15 ILE MG . 15 . HG2# 1 2 34 1 2 1 1 128 TYR QE . 128 . HE# 1 2 35 1 1 1 1 17 THR HA . 17 . HA 1 2 35 1 2 1 1 86 PHE QD . 86 . HD# 1 2 36 1 1 1 1 17 THR HA . 17 . HA 1 2 36 1 2 1 1 86 PHE QE . 86 . HE# 1 2 37 1 1 1 1 17 THR MG . 17 . HG2# 1 2 37 1 2 1 1 89 ARG HE . 89 . HE 1 2 38 1 1 1 1 17 THR MG . 17 . HG2# 1 2 38 1 2 1 1 89 ARG QB . 89 . HB# 1 2 39 1 1 1 1 17 THR MG . 17 . HG2# 1 2 39 1 2 1 1 89 ARG HG3 . 89 . HG1# 1 2 40 1 1 1 1 17 THR MG . 17 . HG2# 1 2 40 1 2 1 1 86 PHE HA . 86 . HA 1 2 41 1 1 1 1 17 THR MG . 17 . HG2# 1 2 41 1 2 1 1 86 PHE QB . 86 . HB# 1 2 42 1 1 1 1 17 THR MG . 17 . HG2# 1 2 42 1 2 1 1 90 LEU HA . 90 . HA 1 2 43 1 1 1 1 17 THR HB . 17 . HB 1 2 43 1 2 1 1 90 LEU QD . 90 . HD* 1 2 44 1 1 1 1 18 LEU HA . 18 . HA 1 2 44 1 2 1 1 86 PHE QE . 86 . HE# 1 2 45 1 1 1 1 18 LEU QD . 18 . HD* 1 2 45 1 2 1 1 120 LEU HA . 120 . HA 1 2 46 1 1 1 1 18 LEU QD . 18 . HD* 1 2 46 1 2 1 1 120 LEU HG . 120 . HG 1 2 47 1 1 1 1 18 LEU QD . 18 . HD* 1 2 47 1 2 1 1 120 LEU QD . 120 . HD* 1 2 48 1 1 1 1 18 LEU QD . 18 . HD* 1 2 48 1 2 1 1 124 MET HA . 124 . HA 1 2 49 1 1 1 1 18 LEU QD . 18 . HD* 1 2 49 1 2 1 1 124 MET QB . 124 . HB# 1 2 50 1 1 1 1 18 LEU QD . 18 . HD* 1 2 50 1 2 1 1 124 MET QG . 124 . HG# 1 2 51 1 1 1 1 18 LEU HG . 18 . HG 1 2 51 1 2 1 1 124 MET QG . 124 . HG# 1 2 52 1 1 1 1 18 LEU HA . 18 . HA 1 2 52 1 2 1 1 124 MET ME . 124 . HE# 1 2 53 1 1 1 1 18 LEU QD . 18 . HD* 1 2 53 1 2 1 1 124 MET ME . 124 . HE# 1 2 54 1 1 1 1 18 LEU QD . 18 . HD* 1 2 54 1 2 1 1 121 LYS HA . 121 . HA 1 2 55 1 1 1 1 21 LEU QB . 21 . HB# 1 2 55 1 2 1 1 59 PHE QD . 59 . HD* 1 2 56 1 1 1 1 21 LEU HA . 21 . HA 1 2 56 1 2 1 1 83 LEU QD . 83 . HD* 1 2 57 1 1 1 1 21 LEU QD . 21 . HD* 1 2 57 1 2 1 1 86 PHE QD . 86 . HD# 1 2 58 1 1 1 1 21 LEU QD . 21 . HD* 1 2 58 1 2 1 1 86 PHE HA . 86 . HA 1 2 59 1 1 1 1 21 LEU MD1 . 21 . HD1# 1 2 59 1 2 1 1 86 PHE QB . 86 . HB# 1 2 60 1 1 1 1 21 LEU MD2 . 21 . HD2# 1 2 60 1 2 1 1 86 PHE QB . 86 . HB# 1 2 61 1 1 1 1 27 LEU QD . 27 . HD* 1 2 61 1 2 1 1 71 GLY QA . 71 . HA# 1 2 62 1 1 1 1 28 CYS QB . 28 . HB# 1 2 62 1 2 1 1 80 HIS HE1 . 80 . HE1 1 2 63 1 1 1 1 28 CYS QB . 28 . HB# 1 2 63 1 2 1 1 83 LEU QD . 83 . HD* 1 2 64 1 1 1 1 29 THR HA . 29 . HA 1 2 64 1 2 1 1 113 LEU QB . 113 . HB# 1 2 65 1 1 1 1 29 THR HA . 29 . HA 1 2 65 1 2 1 1 113 LEU QD . 113 . HD* 1 2 66 1 1 1 1 29 THR HB . 29 . HB 1 2 66 1 2 1 1 114 GLU HA . 114 . HA 1 2 67 1 1 1 1 29 THR HB . 29 . HB 1 2 67 1 2 1 1 114 GLU QB . 114 . HB# 1 2 68 1 1 1 1 29 THR HB . 29 . HB 1 2 68 1 2 1 1 114 GLU QG . 114 . HG# 1 2 69 1 1 1 1 29 THR HB . 29 . HB 1 2 69 1 2 1 1 113 LEU QB . 113 . HB# 1 2 70 1 1 1 1 29 THR HB . 29 . HB 1 2 70 1 2 1 1 113 LEU QD . 113 . HD* 1 2 71 1 1 1 1 29 THR MG . 29 . HG2# 1 2 71 1 2 1 1 113 LEU QD . 113 . HD* 1 2 72 1 1 1 1 29 THR MG . 29 . HG2# 1 2 72 1 2 1 1 83 LEU MD1 . 83 . HD1# 1 2 73 1 1 1 1 29 THR MG . 29 . HG2# 1 2 73 1 2 1 1 83 LEU MD2 . 83 . HD2# 1 2 74 1 1 1 1 31 LEU QD . 31 . HD* 1 2 74 1 2 1 1 63 HIS HD2 . 63 . HD2 1 2 75 1 1 1 1 31 LEU MD1 . 31 . HD1# 1 2 75 1 2 1 1 63 HIS HE1 . 63 . HE1 1 2 76 1 1 1 1 31 LEU MD2 . 31 . HD2# 1 2 76 1 2 1 1 63 HIS HE1 . 63 . HE1 1 2 77 1 1 1 1 32 THR HA . 32 . HA 1 2 77 1 2 1 1 112 THR HB . 112 . HB 1 2 78 1 1 1 1 32 THR HA . 32 . HA 1 2 78 1 2 1 1 112 THR HA . 112 . HA 1 2 79 1 1 1 1 32 THR HA . 32 . HA 1 2 79 1 2 1 1 112 THR MG . 112 . HG2# 1 2 80 1 1 1 1 32 THR HA . 32 . HA 1 2 80 1 2 1 1 110 GLN QG . 110 . HG# 1 2 81 1 1 1 1 32 THR HB . 32 . HB 1 2 81 1 2 1 1 110 GLN QB . 110 . HB# 1 2 82 1 1 1 1 32 THR HB . 32 . HB 1 2 82 1 2 1 1 110 GLN QG . 110 . HG# 1 2 83 1 1 1 1 32 THR MG . 32 . HG2# 1 2 83 1 2 1 1 112 THR HB . 112 . HB 1 2 84 1 1 1 1 32 THR MG . 32 . HG2# 1 2 84 1 2 1 1 112 THR HA . 112 . HA 1 2 85 1 1 1 1 32 THR MG . 32 . HG2# 1 2 85 1 2 1 1 110 GLN QG . 110 . HG# 1 2 86 1 1 1 1 32 THR MG . 32 . HG2# 1 2 86 1 2 1 1 110 GLN QB . 110 . HB# 1 2 87 1 1 1 1 33 VAL H . 33 . HN 1 2 87 1 2 1 1 112 THR HA . 112 . HA 1 2 88 1 1 1 1 33 VAL H . 33 . HN 1 2 88 1 2 1 1 111 SER H . 111 . HN 1 2 89 1 1 1 1 33 VAL MG1 . 33 . HG1# 1 2 89 1 2 1 1 113 LEU HA . 113 . HA 1 2 90 1 1 1 1 33 VAL MG2 . 33 . HG2# 1 2 90 1 2 1 1 113 LEU HA . 113 . HA 1 2 91 1 1 1 1 33 VAL QG . 33 . HG* 1 2 91 1 2 1 1 111 SER QB . 111 . HB# 1 2 92 1 1 1 1 33 VAL QG . 33 . HG* 1 2 92 1 2 1 1 116 PHE QB . 116 . HB# 1 2 93 1 1 1 1 33 VAL HA . 33 . HA 1 2 93 1 2 1 1 55 VAL QG . 55 . HG* 1 2 94 1 1 1 1 33 VAL HB . 33 . HB 1 2 94 1 2 1 1 55 VAL QG . 55 . HG* 1 2 95 1 1 1 1 33 VAL QG . 33 . HG* 1 2 95 1 2 1 1 55 VAL MG1 . 55 . HG1# 1 2 96 1 1 1 1 33 VAL QG . 33 . HG* 1 2 96 1 2 1 1 55 VAL MG2 . 55 . HG2# 1 2 97 1 1 1 1 33 VAL QG . 33 . HG* 1 2 97 1 2 1 1 59 PHE QB . 59 . HB# 1 2 98 1 1 1 1 33 VAL QG . 33 . HG* 1 2 98 1 2 1 1 116 PHE QD . 116 . HD# 1 2 99 1 1 1 1 34 THR HA . 34 . HA 1 2 99 1 2 1 1 111 SER H . 111 . HN 1 2 100 1 1 1 1 34 THR HA . 34 . HA 1 2 100 1 2 1 1 110 GLN HA . 110 . HA 1 2 101 1 1 1 1 34 THR HA . 34 . HA 1 2 101 1 2 1 1 110 GLN QG . 110 . HG# 1 2 102 1 1 1 1 34 THR HA . 34 . HA 1 2 102 1 2 1 1 110 GLN QB . 110 . HB# 1 2 103 1 1 1 1 35 ASP HA . 35 . HA 1 2 103 1 2 1 1 116 PHE QD . 116 . HD# 1 2 104 1 1 1 1 35 ASP HA . 35 . HA 1 2 104 1 2 1 1 111 SER QB . 111 . HB# 1 2 105 1 1 1 1 35 ASP HB3 . 35 . HB1 1 2 105 1 2 1 1 111 SER QB . 111 . HB# 1 2 106 1 1 1 1 35 ASP HB2 . 35 . HB2 1 2 106 1 2 1 1 111 SER QB . 111 . HB# 1 2 107 1 1 1 1 36 ILE HA . 36 . HA 1 2 107 1 2 1 1 107 GLU QG . 107 . HG# 1 2 108 1 1 1 1 36 ILE HA . 36 . HA 1 2 108 1 2 1 1 108 ALA MB . 108 . HB# 1 2 109 1 1 1 1 36 ILE MD . 36 . HD# 1 2 109 1 2 1 1 48 THR HA . 48 . HA 1 2 110 1 1 1 1 36 ILE QG . 36 . HG1# 1 2 110 1 2 1 1 48 THR MG . 48 . HG2# 1 2 111 1 1 1 1 36 ILE MD . 36 . HD# 1 2 111 1 2 1 1 48 THR MG . 48 . HG2# 1 2 112 1 1 1 1 36 ILE MG . 36 . HG2# 1 2 112 1 2 1 1 51 ARG QB . 51 . HB# 1 2 113 1 1 1 1 36 ILE MG . 36 . HG2# 1 2 113 1 2 1 1 52 ALA HA . 52 . HA 1 2 114 1 1 1 1 36 ILE MG . 36 . HG2# 1 2 114 1 2 1 1 52 ALA MB . 52 . HB# 1 2 115 1 1 1 1 36 ILE QG . 36 . HG1# 1 2 115 1 2 1 1 52 ALA HA . 52 . HA 1 2 116 1 1 1 1 36 ILE MD . 36 . HD# 1 2 116 1 2 1 1 52 ALA HA . 52 . HA# 1 2 117 1 1 1 1 36 ILE MD . 36 . HD# 1 2 117 1 2 1 1 52 ALA MB . 52 . HB# 1 2 118 1 1 1 1 36 ILE QG . 36 . HG1# 1 2 118 1 2 1 1 52 ALA MB . 52 . HB# 1 2 119 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 119 1 2 1 1 123 ILE MD . 123 . HD# 1 2 120 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 120 1 2 1 1 123 ILE QG . 123 . HG1# 1 2 121 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 121 1 2 1 1 123 ILE MG . 123 . HG2# 1 2 122 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 122 1 2 1 1 48 THR MG . 48 . HG2# 1 2 123 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 123 1 2 1 1 120 LEU HA . 120 . HA 1 2 124 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 124 1 2 1 1 120 LEU HG . 120 . HG 1 2 125 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 125 1 2 1 1 120 LEU QB . 120 . HB# 1 2 126 1 1 1 1 37 PHE HZ . 37 . HZ 1 2 126 1 2 1 1 120 LEU QD . 120 . HD* 1 2 127 1 1 1 1 37 PHE QE . 37 . HE# 1 2 127 1 2 1 1 123 ILE MD . 123 . HD# 1 2 128 1 1 1 1 37 PHE QE . 37 . HE# 1 2 128 1 2 1 1 116 PHE HA . 116 . HA 1 2 129 1 1 1 1 37 PHE QE . 37 . HE# 1 2 129 1 2 1 1 120 LEU HA . 120 . HA 1 2 130 1 1 1 1 37 PHE QE . 37 . HE# 1 2 130 1 2 1 1 123 ILE QG . 123 . HG1# 1 2 131 1 1 1 1 37 PHE QE . 37 . HE# 1 2 131 1 2 1 1 123 ILE MG . 123 . HG2# 1 2 132 1 1 1 1 37 PHE QE . 37 . HE# 1 2 132 1 2 1 1 48 THR HB . 48 . HB 1 2 133 1 1 1 1 37 PHE QE . 37 . HE# 1 2 133 1 2 1 1 48 THR MG . 48 . HG2# 1 2 134 1 1 1 1 37 PHE QE . 37 . HE# 1 2 134 1 2 1 1 120 LEU QB . 120 . HB# 1 2 135 1 1 1 1 37 PHE QD . 37 . HD# 1 2 135 1 2 1 1 116 PHE HA . 116 . HA 1 2 136 1 1 1 1 37 PHE QD . 37 . HD# 1 2 136 1 2 1 1 123 ILE QG . 123 . HG1# 1 2 137 1 1 1 1 37 PHE QD . 37 . HD# 1 2 137 1 2 1 1 48 THR MG . 48 . HG2# 1 2 138 1 1 1 1 37 PHE QD . 37 . HD# 1 2 138 1 2 1 1 120 LEU QB . 120 . HB# 1 2 139 1 1 1 1 37 PHE QD . 37 . HD# 1 2 139 1 2 1 1 120 LEU HG . 120 . HG 1 2 140 1 1 1 1 37 PHE QD . 37 . HD# 1 2 140 1 2 1 1 120 LEU QD . 120 . HD* 1 2 141 1 1 1 1 43 THR MG . 43 . HG2# 1 2 141 1 2 1 1 51 ARG QD . 51 . HD# 1 2 142 1 1 1 1 45 GLU QG . 45 . HG# 1 2 142 1 2 1 1 98 ALA HA . 98 . HA 1 2 143 1 1 1 1 46 LYS HA . 46 . HA 1 2 143 1 2 1 1 98 ALA HA . 98 . HA 1 2 144 1 1 1 1 46 LYS QG . 46 . HG# 1 2 144 1 2 1 1 98 ALA HA . 98 . HA 1 2 145 1 1 1 1 49 PHE QD . 49 . HD# 1 2 145 1 2 1 1 95 TRP HA . 95 . HA 1 2 146 1 1 1 1 49 PHE QD . 49 . HD# 1 2 146 1 2 1 1 94 LEU QD . 94 . HD* 1 2 147 1 1 1 1 49 PHE QD . 49 . HD# 1 2 147 1 2 1 1 124 MET ME . 124 . HE# 1 2 148 1 1 1 1 49 PHE QD . 49 . HD# 1 2 148 1 2 1 1 97 LEU QD . 97 . HD* 1 2 149 1 1 1 1 49 PHE HA . 49 . HA 1 2 149 1 2 1 1 94 LEU QD . 94 . HD* 1 2 150 1 1 1 1 49 PHE QD . 49 . HD# 1 2 150 1 2 1 1 94 LEU HG . 94 . HG 1 2 151 1 1 1 1 49 PHE QB . 49 . HB# 1 2 151 1 2 1 1 98 ALA MB . 98 . HB# 1 2 152 1 1 1 1 49 PHE QB . 49 . HB# 1 2 152 1 2 1 1 94 LEU QD . 94 . HD* 1 2 153 1 1 1 1 49 PHE HZ . 49 . HZ 1 2 153 1 2 1 1 124 MET ME . 124 . HE# 1 2 154 1 1 1 1 49 PHE QE . 49 . HE# 1 2 154 1 2 1 1 124 MET ME . 124 . HE# 1 2 155 1 1 1 1 50 CYS HA . 50 . HA 1 2 155 1 2 1 1 95 TRP HE3 . 95 . HE3 1 2 156 1 1 1 1 50 CYS HA . 50 . HA 1 2 156 1 2 1 1 95 TRP HD1 . 95 . HD1 1 2 157 1 1 1 1 50 CYS QB . 50 . HB# 1 2 157 1 2 1 1 98 ALA MB . 98 . HB# 1 2 158 1 1 1 1 51 ARG HA . 51 . HA 1 2 158 1 2 1 1 105 VAL QG . 105 . HG* 1 2 159 1 1 1 1 51 ARG QB . 51 . HB# 1 2 159 1 2 1 1 105 VAL QG . 105 . HG* 1 2 160 1 1 1 1 51 ARG QG . 51 . HG# 1 2 160 1 2 1 1 105 VAL QG . 105 . HG* 1 2 161 1 1 1 1 52 ALA HA . 52 . HA 1 2 161 1 2 1 1 116 PHE QD . 116 . HD# 1 2 162 1 1 1 1 52 ALA MB . 52 . HB# 1 2 162 1 2 1 1 116 PHE QD . 116 . HD# 1 2 163 1 1 1 1 52 ALA HA . 52 . HA 1 2 163 1 2 1 1 116 PHE HZ . 116 . HZ 1 2 164 1 1 1 1 52 ALA MB . 52 . HB# 1 2 164 1 2 1 1 116 PHE HZ . 116 . HZ 1 2 165 1 1 1 1 53 ALA HA . 53 . HA 1 2 165 1 2 1 1 91 ASP HA . 91 . HA 1 2 166 1 1 1 1 53 ALA MB . 53 . HB# 1 2 166 1 2 1 1 91 ASP HA . 91 . HA 1 2 167 1 1 1 1 53 ALA MB . 53 . HB# 1 2 167 1 2 1 1 95 TRP QB . 95 . HB# 1 2 168 1 1 1 1 53 ALA MB . 53 . HB# 1 2 168 1 2 1 1 95 TRP HE3 . 95 . HE3 1 2 169 1 1 1 1 54 THR HB . 54 . HB 1 2 169 1 2 1 1 105 VAL MG1 . 105 . HG1# 1 2 170 1 1 1 1 54 THR HB . 54 . HB 1 2 170 1 2 1 1 105 VAL MG2 . 105 . HG2# 1 2 171 1 1 1 1 54 THR HB . 54 . HB 1 2 171 1 2 1 1 105 VAL HB . 105 . HB 1 2 172 1 1 1 1 54 THR MG . 54 . HG2# 1 2 172 1 2 1 1 105 VAL MG1 . 105 . HG1# 1 2 173 1 1 1 1 54 THR MG . 54 . HG2# 1 2 173 1 2 1 1 105 VAL MG2 . 105 . HG2# 1 2 174 1 1 1 1 54 THR MG . 54 . HG2# 1 2 174 1 2 1 1 105 VAL HB . 105 . HB 1 2 175 1 1 1 1 55 VAL HB . 55 . HB# 1 2 175 1 2 1 1 116 PHE QD . 116 . HD# 1 2 176 1 1 1 1 55 VAL QG . 55 . HG* 1 2 176 1 2 1 1 116 PHE QD . 116 . HD# 1 2 177 1 1 1 1 55 VAL HA . 55 . HA 1 2 177 1 2 1 1 105 VAL QG . 105 . HG* 1 2 178 1 1 1 1 55 VAL QG . 55 . HG* 1 2 178 1 2 1 1 105 VAL HB . 105 . HB 1 2 179 1 1 1 1 56 LEU QD . 56 . HD* 1 2 179 1 2 1 1 116 PHE HZ . 116 . HZ 1 2 180 1 1 1 1 56 LEU QD . 56 . HD* 1 2 180 1 2 1 1 116 PHE QD . 116 . HD# 1 2 181 1 1 1 1 56 LEU QD . 56 . HD* 1 2 181 1 2 1 1 113 LEU MD1 . 113 . HD1# 1 2 182 1 1 1 1 56 LEU QD . 56 . HD* 1 2 182 1 2 1 1 113 LEU MD2 . 113 . HD2# 1 2 183 1 1 1 1 56 LEU QD . 56 . HD* 1 2 183 1 2 1 1 91 ASP HA . 91 . HA 1 2 184 1 1 1 1 56 LEU QD . 56 . HD* 1 2 184 1 2 1 1 90 LEU HG . 90 . HG 1 2 185 1 1 1 1 56 LEU QD . 56 . HD* 1 2 185 1 2 1 1 90 LEU QB . 90 . HB# 1 2 186 1 1 1 1 59 PHE QD . 59 . HD# 1 2 186 1 2 1 1 87 LEU QD . 87 . HD* 1 2 187 1 1 1 1 59 PHE QD . 59 . HD# 1 2 187 1 2 1 1 113 LEU MD1 . 113 . HD1# 1 2 188 1 1 1 1 59 PHE QD . 59 . HD# 1 2 188 1 2 1 1 113 LEU MD2 . 113 . HD2# 1 2 189 1 1 1 1 59 PHE QD . 59 . HD# 1 2 189 1 2 1 1 87 LEU QB . 87 . HB# 1 2 190 1 1 1 1 60 TYR QD . 60 . HD# 1 2 190 1 2 1 1 88 LYS HA . 88 . HA 1 2 191 1 1 1 1 60 TYR QD . 60 . HD# 1 2 191 1 2 1 1 88 LYS QE . 88 . HE# 1 2 192 1 1 1 1 60 TYR QD . 60 . HD# 1 2 192 1 2 1 1 88 LYS QB . 88 . HB# 1 2 193 1 1 1 1 60 TYR QD . 60 . HD# 1 2 193 1 2 1 1 91 ASP QB . 91 . HB# 1 2 194 1 1 1 1 60 TYR QE . 60 . HE# 1 2 194 1 2 1 1 91 ASP QB . 91 . HB# 1 2 195 1 1 1 1 60 TYR QE . 60 . HE# 1 2 195 1 2 1 1 88 LYS QE . 88 . HE# 1 2 196 1 1 1 1 60 TYR QE . 60 . HE# 1 2 196 1 2 1 1 88 LYS HA . 88 . HA 1 2 197 1 1 1 1 60 TYR QD . 60 . HD# 1 2 197 1 2 1 1 87 LEU QB . 87 . HB# 1 2 198 1 1 1 1 60 TYR QD . 60 . HD# 1 2 198 1 2 1 1 84 ILE MG . 84 . HG2# 1 2 199 1 1 1 1 60 TYR QD . 60 . HD# 1 2 199 1 2 1 1 87 LEU QD . 87 . HD* 1 2 200 1 1 1 1 60 TYR HA . 60 . HA 1 2 200 1 2 1 1 87 LEU QB . 87 . HB# 1 2 201 1 1 1 1 60 TYR HA . 60 . HA 1 2 201 1 2 1 1 87 LEU QD . 87 . HD* 1 2 202 1 1 1 1 60 TYR HA . 60 . HA 1 2 202 1 2 1 1 84 ILE MG . 84 . HG2# 1 2 203 1 1 1 1 60 TYR HA . 60 . HA 1 2 203 1 2 1 1 84 ILE MD . 84 . HD# 1 2 204 1 1 1 1 60 TYR QB . 60 . HB# 1 2 204 1 2 1 1 87 LEU QD . 87 . HD* 1 2 205 1 1 1 1 60 TYR QB . 60 . HB# 1 2 205 1 2 1 1 84 ILE MG . 84 . HG2# 1 2 206 1 1 1 1 60 TYR QB . 60 . HB# 1 2 206 1 2 1 1 84 ILE MD . 84 . HD# 1 2 207 1 1 1 1 64 GLU QB . 64 . HB# 1 2 207 1 2 1 1 80 HIS HE1 . 80 . HE1 1 2 208 1 1 1 1 64 GLU QG . 64 . HG# 1 2 208 1 2 1 1 80 HIS HE1 . 80 . HE1 1 2 209 1 1 1 1 64 GLU HA . 64 . HA 1 2 209 1 2 1 1 84 ILE QG . 84 . HG1# 1 2 210 1 1 1 1 64 GLU HA . 64 . HA 1 2 210 1 2 1 1 84 ILE MG . 84 . HG2# 1 2 211 1 1 1 1 64 GLU HA . 64 . HA 1 2 211 1 2 1 1 84 ILE MD . 84 . HD# 1 2 212 1 1 1 1 64 GLU HB3 . 64 . HB1 1 2 212 1 2 1 1 84 ILE QG . 84 . HG1# 1 2 213 1 1 1 1 64 GLU HB3 . 64 . HB1 1 2 213 1 2 1 1 84 ILE MG . 84 . HG2# 1 2 214 1 1 1 1 64 GLU HB2 . 64 . HB2 1 2 214 1 2 1 1 84 ILE QG . 84 . HG1# 1 2 215 1 1 1 1 64 GLU HB2 . 64 . HB2 1 2 215 1 2 1 1 84 ILE MG . 84 . HG2# 1 2 216 1 1 1 1 64 GLU QB . 64 . HB# 1 2 216 1 2 1 1 83 LEU QD . 83 . HD# 1 2 217 1 1 1 1 64 GLU QG . 64 . HG# 1 2 217 1 2 1 1 84 ILE QG . 84 . HG1# 1 2 218 1 1 1 1 64 GLU QG . 64 . HG# 1 2 218 1 2 1 1 84 ILE MG . 84 . HG2# 1 2 219 1 1 1 1 69 CYS QB . 69 . HB# 1 2 219 1 2 1 1 80 HIS HE1 . 80 . HE1 1 2 220 1 1 1 1 70 LEU HA . 70 . HA 1 2 220 1 2 1 1 77 PHE HA . 77 . HA 1 2 221 1 1 1 1 70 LEU HA . 70 . HA 1 2 221 1 2 1 1 80 HIS QB . 80 . HB# 1 2 222 1 1 1 1 70 LEU QD . 70 . HD* 1 2 222 1 2 1 1 77 PHE HA . 77 . HA 1 2 223 1 1 1 1 70 LEU QD . 70 . HD* 1 2 223 1 2 1 1 80 HIS QB . 80 . HB# 1 2 224 1 1 1 1 70 LEU QD . 70 . HD# 1 2 224 1 2 1 1 80 HIS HD2 . 80 . HD2 1 2 225 1 1 1 1 70 LEU HA . 70 . HA 1 2 225 1 2 1 1 80 HIS HD2 . 80 . HD2 1 2 226 1 1 1 1 94 LEU QD . 94 . HD* 1 2 226 1 2 1 1 124 MET ME . 124 . HE* 1 2 227 1 1 1 1 95 TRP HZ2 . 95 . HZ2 1 2 227 1 2 1 1 101 ASN HA . 101 . HA 1 2 228 1 1 1 1 95 TRP HH2 . 95 . HH2 1 2 228 1 2 1 1 101 ASN HA . 101 . HA 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.0 -2.1 7.2 1 2 2 1 . . . . . 3.0 -0.6 5.7 1 2 3 1 . . . . . 4.0 -0.6 6.7 1 2 4 1 . . . . . 3.0 0.3 4.8 1 2 5 1 . . . . . 3.0 -0.7 5.8 1 2 6 1 . . . . . 4.0 -1.6 8.4 1 2 7 1 . . . . . 3.0 -2.1 7.2 1 2 8 1 . . . . . 3.0 -0.2 5.3 1 2 9 1 . . . . . 3.0 -1.2 6.3 1 2 10 1 . . . . . 3.0 -2.6 7.7 1 2 11 1 . . . . . 4.0 -0.6 7.4 1 2 12 1 . . . . . 3.0 -1.6 6.7 1 2 13 1 . . . . . 4.0 -2.6 9.4 1 2 14 1 . . . . . 3.0 -0.6 5.7 1 2 15 1 . . . . . 4.0 0.8 6.0 1 2 16 1 . . . . . 4.0 -0.2 7.0 1 2 17 1 . . . . . 4.0 -0.2 7.0 1 2 18 1 . . . . . 3.0 -0.7 5.8 1 2 19 1 . . . . . 3.0 -0.7 5.8 1 2 20 1 . . . . . 3.0 -1.2 6.3 1 2 21 1 . . . . . 3.0 -0.7 5.8 1 2 22 1 . . . . . 3.0 -0.7 5.8 1 2 23 1 . . . . . 3.0 0.8 4.3 1 2 24 1 . . . . . 4.0 -0.7 7.5 1 2 25 1 . . . . . 4.0 -0.7 7.5 1 2 26 1 . . . . . 3.0 -0.2 5.3 1 2 27 1 . . . . . 3.0 -0.7 5.8 1 2 28 1 . . . . . 3.0 -1.2 6.3 1 2 29 1 . . . . . 3.0 -0.7 5.8 1 2 30 1 . . . . . 3.0 -1.7 6.8 1 2 31 1 . . . . . 4.0 -1.2 8.0 1 2 32 1 . . . . . 3.0 -1.7 6.8 1 2 33 1 . . . . . 4.0 -1.2 8.0 1 2 34 1 . . . . . 4.0 -1.7 8.5 1 2 35 1 . . . . . 3.0 -0.2 5.3 1 2 36 1 . . . . . 3.0 -0.2 5.3 1 2 37 1 . . . . . 3.0 -0.7 5.8 1 2 38 1 . . . . . 3.0 -0.7 5.8 1 2 39 1 . . . . . 3.0 -0.7 5.8 1 2 40 1 . . . . . 3.0 0.3 4.8 1 2 41 1 . . . . . 3.0 -0.7 5.8 1 2 42 1 . . . . . 4.0 0.3 6.5 1 2 43 1 . . . . . 2.5 -0.6 5.1 1 2 44 1 . . . . . 4.0 -0.2 8.0 1 2 45 1 . . . . . 3.0 -0.6 5.7 1 2 46 1 . . . . . 3.0 -0.6 5.7 1 2 47 1 . . . . . 3.0 -3.0 8.1 1 2 48 1 . . . . . 4.0 -0.6 7.4 1 2 49 1 . . . . . 4.0 -1.6 8.4 1 2 50 1 . . . . . 3.0 -1.6 6.7 1 2 51 1 . . . . . 3.0 0.8 4.3 1 2 52 1 . . . . . 3.0 0.3 4.8 1 2 53 1 . . . . . 3.0 -2.1 7.2 1 2 54 1 . . . . . 3.0 -0.6 5.7 1 2 55 1 . . . . . 4.0 -1.2 8.0 1 2 56 1 . . . . . 4.0 -0.6 7.4 1 2 57 1 . . . . . 4.0 -2.6 9.4 1 2 58 1 . . . . . 4.0 -0.6 7.4 1 2 59 1 . . . . . 4.0 -0.7 7.5 1 2 60 1 . . . . . 4.0 -0.7 7.5 1 2 61 1 . . . . . 4.0 -1.6 9.4 1 2 62 1 . . . . . 4.0 0.8 6.0 1 2 63 1 . . . . . 3.0 -1.6 6.7 1 2 64 1 . . . . . 3.0 0.8 4.3 1 2 65 1 . . . . . 3.0 -0.6 5.7 1 2 66 1 . . . . . 3.0 1.8 3.3 1 2 67 1 . . . . . 3.0 0.8 4.3 1 2 68 1 . . . . . 3.0 0.8 4.3 1 2 69 1 . . . . . 4.0 0.8 6.0 1 2 70 1 . . . . . 3.0 -0.6 5.7 1 2 71 1 . . . . . 3.0 -2.1 7.2 1 2 72 1 . . . . . 4.0 -1.2 8.0 1 2 73 1 . . . . . 4.0 -1.2 8.0 1 2 74 1 . . . . . 4.0 -0.6 7.4 1 2 75 1 . . . . . 4.0 0.3 6.5 1 2 76 1 . . . . . 4.0 0.3 6.5 1 2 77 1 . . . . . 4.0 1.8 5.0 1 2 78 1 . . . . . 2.5 1.8 2.7 1 2 79 1 . . . . . 3.0 0.3 4.8 1 2 80 1 . . . . . 4.0 0.8 6.0 1 2 81 1 . . . . . 3.0 0.8 4.3 1 2 82 1 . . . . . 3.0 0.8 4.3 1 2 83 1 . . . . . 3.0 0.3 4.8 1 2 84 1 . . . . . 3.0 0.3 4.8 1 2 85 1 . . . . . 3.0 -0.7 5.8 1 2 86 1 . . . . . 3.0 -0.7 5.8 1 2 87 1 . . . . . 3.3 2.5 3.5 1 2 88 1 . . . . . 3.3 2.5 3.5 1 2 89 1 . . . . . 3.0 0.3 4.8 1 2 90 1 . . . . . 3.0 0.3 4.8 1 2 91 1 . . . . . 4.0 -1.6 8.4 1 2 92 1 . . . . . 3.0 -1.6 6.7 1 2 93 1 . . . . . 3.0 -0.6 5.7 1 2 94 1 . . . . . 2.5 -0.6 5.1 1 2 95 1 . . . . . 3.0 -2.1 7.2 1 2 96 1 . . . . . 3.0 -2.1 7.2 1 2 97 1 . . . . . 4.0 -1.6 8.4 1 2 98 1 . . . . . 3.0 -2.6 7.7 1 2 99 1 . . . . . 3.3 2.5 3.5 1 2 100 1 . . . . . 3.0 1.8 3.3 1 2 101 1 . . . . . 4.0 0.8 6.0 1 2 102 1 . . . . . 4.0 0.8 6.0 1 2 103 1 . . . . . 3.0 -0.2 5.3 1 2 104 1 . . . . . 4.0 0.8 6.0 1 2 105 1 . . . . . 3.0 0.8 4.3 1 2 106 1 . . . . . 3.0 0.8 4.3 1 2 107 1 . . . . . 4.0 0.8 6.0 1 2 108 1 . . . . . 3.0 0.3 4.8 1 2 109 1 . . . . . 3.0 0.3 4.8 1 2 110 1 . . . . . 3.0 -0.7 5.8 1 2 111 1 . . . . . 3.0 -1.2 6.3 1 2 112 1 . . . . . 4.0 -0.7 7.5 1 2 113 1 . . . . . 4.0 0.3 6.5 1 2 114 1 . . . . . 3.0 -1.2 6.3 1 2 115 1 . . . . . 4.0 0.8 6.0 1 2 116 1 . . . . . 3.0 0.3 4.8 1 2 117 1 . . . . . 3.0 -1.2 6.3 1 2 118 1 . . . . . 3.0 -0.7 5.8 1 2 119 1 . . . . . 4.0 0.3 6.5 1 2 120 1 . . . . . 3.0 0.8 4.3 1 2 121 1 . . . . . 4.0 0.3 6.5 1 2 122 1 . . . . . 4.0 0.3 6.5 1 2 123 1 . . . . . 4.0 1.8 5.0 1 2 124 1 . . . . . 4.0 1.8 5.0 1 2 125 1 . . . . . 4.0 0.8 6.0 1 2 126 1 . . . . . 4.0 -0.6 7.4 1 2 127 1 . . . . . 4.0 -1.7 8.5 1 2 128 1 . . . . . 3.0 -0.2 5.3 1 2 129 1 . . . . . 3.0 -0.2 5.3 1 2 130 1 . . . . . 4.0 -1.2 8.0 1 2 131 1 . . . . . 4.0 -1.7 8.5 1 2 132 1 . . . . . 4.0 -0.2 7.0 1 2 133 1 . . . . . 3.0 -1.7 6.8 1 2 134 1 . . . . . 4.0 -1.2 8.0 1 2 135 1 . . . . . 4.0 -0.2 7.0 1 2 136 1 . . . . . 3.0 -1.2 6.3 1 2 137 1 . . . . . 4.0 -1.7 8.5 1 2 138 1 . . . . . 4.0 -1.2 8.0 1 2 139 1 . . . . . 4.0 -0.2 7.0 1 2 140 1 . . . . . 4.0 -2.6 9.4 1 2 141 1 . . . . . 3.0 -0.7 5.8 1 2 142 1 . . . . . 4.0 0.8 6.0 1 2 143 1 . . . . . 4.0 1.8 5.0 1 2 144 1 . . . . . 4.0 0.8 6.0 1 2 145 1 . . . . . 3.0 -0.2 5.3 1 2 146 1 . . . . . 4.0 -2.6 9.4 1 2 147 1 . . . . . 3.0 -1.7 6.8 1 2 148 1 . . . . . 3.0 -2.6 7.7 1 2 149 1 . . . . . 3.0 -0.6 5.7 1 2 150 1 . . . . . 3.0 -0.2 5.3 1 2 151 1 . . . . . 3.0 -0.7 5.8 1 2 152 1 . . . . . 4.0 -1.6 8.4 1 2 153 1 . . . . . 4.0 0.3 6.5 1 2 154 1 . . . . . 3.0 -1.7 6.8 1 2 155 1 . . . . . 4.0 1.8 5.0 1 2 156 1 . . . . . 4.0 1.8 5.0 1 2 157 1 . . . . . 3.0 -0.7 5.8 1 2 158 1 . . . . . 3.0 -0.6 5.7 1 2 159 1 . . . . . 4.0 -1.6 8.4 1 2 160 1 . . . . . 4.0 -1.6 8.4 1 2 161 1 . . . . . 4.0 -0.2 7.0 1 2 162 1 . . . . . 3.0 -1.7 6.8 1 2 163 1 . . . . . 4.0 1.8 5.0 1 2 164 1 . . . . . 3.0 0.3 4.8 1 2 165 1 . . . . . 4.0 1.8 5.0 1 2 166 1 . . . . . 4.0 0.3 6.5 1 2 167 1 . . . . . 4.0 -0.7 7.5 1 2 168 1 . . . . . 4.0 0.3 6.5 1 2 169 1 . . . . . 4.0 0.3 6.5 1 2 170 1 . . . . . 4.0 0.3 6.5 1 2 171 1 . . . . . 4.0 1.8 5.0 1 2 172 1 . . . . . 3.0 -1.2 6.3 1 2 173 1 . . . . . 3.0 -1.2 6.3 1 2 174 1 . . . . . 3.0 0.3 4.8 1 2 175 1 . . . . . 4.0 -0.2 7.0 1 2 176 1 . . . . . 3.0 -2.6 7.7 1 2 177 1 . . . . . 4.0 -0.6 7.4 1 2 178 1 . . . . . 3.0 -0.6 5.7 1 2 179 1 . . . . . 2.5 -0.6 5.1 1 2 180 1 . . . . . 4.0 -2.6 9.4 1 2 181 1 . . . . . 4.0 -2.1 8.9 1 2 182 1 . . . . . 4.0 -2.1 8.9 1 2 183 1 . . . . . 4.0 -0.6 7.4 1 2 184 1 . . . . . 3.0 -0.6 5.7 1 2 185 1 . . . . . 3.0 -1.6 6.7 1 2 186 1 . . . . . 3.0 -2.6 7.7 1 2 187 1 . . . . . 3.0 -1.7 6.8 1 2 188 1 . . . . . 3.0 -1.7 6.7 1 2 189 1 . . . . . 4.0 -1.2 8.0 1 2 190 1 . . . . . 3.0 -0.2 5.3 1 2 191 1 . . . . . 3.0 -1.2 6.3 1 2 192 1 . . . . . 3.0 -1.2 6.3 1 2 193 1 . . . . . 4.0 -1.2 8.0 1 2 194 1 . . . . . 3.0 -1.2 6.3 1 2 195 1 . . . . . 4.0 -1.2 8.0 1 2 196 1 . . . . . 3.0 -0.2 5.3 1 2 197 1 . . . . . 3.0 -1.2 6.3 1 2 198 1 . . . . . 3.0 -1.7 6.8 1 2 199 1 . . . . . 4.0 -2.6 9.4 1 2 200 1 . . . . . 4.0 0.8 6.0 1 2 201 1 . . . . . 3.0 -0.6 5.7 1 2 202 1 . . . . . 4.0 0.3 6.5 1 2 203 1 . . . . . 3.0 0.3 4.8 1 2 204 1 . . . . . 3.0 -1.6 6.7 1 2 205 1 . . . . . 4.0 -0.7 7.5 1 2 206 1 . . . . . 4.0 -0.7 7.5 1 2 207 1 . . . . . 4.0 0.8 6.0 1 2 208 1 . . . . . 4.0 0.8 6.0 1 2 209 1 . . . . . 3.0 0.8 4.3 1 2 210 1 . . . . . 3.0 0.3 4.8 1 2 211 1 . . . . . 3.0 0.3 4.8 1 2 212 1 . . . . . 4.0 0.8 6.0 1 2 213 1 . . . . . 3.0 0.3 4.8 1 2 214 1 . . . . . 4.0 0.8 6.0 1 2 215 1 . . . . . 3.0 0.3 4.8 1 2 216 1 . . . . . 4.0 -1.6 8.4 1 2 217 1 . . . . . 3.0 -0.2 5.3 1 2 218 1 . . . . . 3.0 -0.7 5.8 1 2 219 1 . . . . . 3.0 0.8 4.3 1 2 220 1 . . . . . 4.0 1.8 5.0 1 2 221 1 . . . . . 4.0 0.8 6.0 1 2 222 1 . . . . . 3.0 -0.6 5.7 1 2 223 1 . . . . . 3.0 -1.6 6.7 1 2 224 1 . . . . . 3.0 -0.6 5.7 1 2 225 1 . . . . . 4.0 1.8 5.0 1 2 226 1 . . . . . 4.0 -2.1 8.9 1 2 227 1 . . . . . 4.0 1.8 5.0 1 2 228 1 . . . . . 4.0 1.8 5.0 1 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 3 2 1 . . . 1 3 3 1 . . . 1 3 4 1 . . . 1 3 5 1 . . . 1 3 6 1 . . . 1 3 7 1 . . . 1 3 8 1 . . . 1 3 9 1 . . . 1 3 10 1 . . . 1 3 11 1 . . . 1 3 12 1 . . . 1 3 13 1 . . . 1 3 14 1 . . . 1 3 15 1 . . . 1 3 16 1 . . . 1 3 17 1 . . . 1 3 18 1 . . . 1 3 19 1 . . . 1 3 20 1 . . . 1 3 21 1 . . . 1 3 22 1 . . . 1 3 23 1 . . . 1 3 24 1 . . . 1 3 25 1 . . . 1 3 26 1 . . . 1 3 27 1 . . . 1 3 28 1 . . . 1 3 29 1 . . . 1 3 30 1 . . . 1 3 31 1 . . . 1 3 32 1 . . . 1 3 33 1 . . . 1 3 34 1 . . . 1 3 35 1 . . . 1 3 36 1 . . . 1 3 37 1 . . . 1 3 38 1 . . . 1 3 39 1 . . . 1 3 40 1 . . . 1 3 41 1 . . . 1 3 42 1 . . . 1 3 43 1 . . . 1 3 44 1 . . . 1 3 45 1 . . . 1 3 46 1 . . . 1 3 47 1 . . . 1 3 48 1 . . . 1 3 49 1 . . . 1 3 50 1 . . . 1 3 51 1 . . . 1 3 52 1 . . . 1 3 53 1 . . . 1 3 54 1 . . . 1 3 55 1 . . . 1 3 56 1 . . . 1 3 57 1 . . . 1 3 58 1 . . . 1 3 59 1 . . . 1 3 60 1 . . . 1 3 61 1 . . . 1 3 62 1 . . . 1 3 63 1 . . . 1 3 64 1 . . . 1 3 65 1 . . . 1 3 66 1 . . . 1 3 67 1 . . . 1 3 68 1 . . . 1 3 69 1 . . . 1 3 70 1 . . . 1 3 71 1 . . . 1 3 72 1 . . . 1 3 73 1 . . . 1 3 74 1 . . . 1 3 75 1 . . . 1 3 76 1 . . . 1 3 77 1 . . . 1 3 78 1 . . . 1 3 79 1 . . . 1 3 80 1 . . . 1 3 81 1 . . . 1 3 82 1 . . . 1 3 83 1 . . . 1 3 84 1 . . . 1 3 85 1 . . . 1 3 86 1 . . . 1 3 87 1 . . . 1 3 88 1 . . . 1 3 89 1 . . . 1 3 90 1 . . . 1 3 91 1 . . . 1 3 92 1 . . . 1 3 93 1 . . . 1 3 94 1 . . . 1 3 95 1 . . . 1 3 96 1 . . . 1 3 97 1 . . . 1 3 98 1 . . . 1 3 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 9 ILE O . 9 . O 1 3 1 1 2 1 1 13 GLU H . 13 . HN 1 3 2 1 1 1 1 9 ILE O . 9 . O 1 3 2 1 2 1 1 13 GLU N . 13 . N 1 3 3 1 1 1 1 10 THR O . 10 . O 1 3 3 1 2 1 1 14 ILE H . 14 . HN 1 3 4 1 1 1 1 10 THR O . 10 . O 1 3 4 1 2 1 1 14 ILE N . 14 . N 1 3 5 1 1 1 1 11 LEU O . 11 . O 1 3 5 1 2 1 1 15 ILE H . 15 . HN 1 3 6 1 1 1 1 11 LEU O . 11 . O 1 3 6 1 2 1 1 15 ILE N . 15 . N 1 3 7 1 1 1 1 12 GLN O . 12 . O 1 3 7 1 2 1 1 16 LYS H . 16 . HN 1 3 8 1 1 1 1 12 GLN O . 12 . O 1 3 8 1 2 1 1 16 LYS N . 16 . N 1 3 9 1 1 1 1 13 GLU O . 13 . O 1 3 9 1 2 1 1 17 THR H . 17 . HN 1 3 10 1 1 1 1 13 GLU O . 13 . O 1 3 10 1 2 1 1 17 THR N . 17 . N 1 3 11 1 1 1 1 14 ILE O . 14 . O 1 3 11 1 2 1 1 18 LEU H . 18 . HN 1 3 12 1 1 1 1 14 ILE O . 14 . O 1 3 12 1 2 1 1 18 LEU N . 18 . N 1 3 13 1 1 1 1 15 ILE O . 15 . O 1 3 13 1 2 1 1 19 ASN H . 19 . HN 1 3 14 1 1 1 1 15 ILE O . 15 . O 1 3 14 1 2 1 1 19 ASN N . 19 . N 1 3 15 1 1 1 1 16 LYS O . 16 . O 1 3 15 1 2 1 1 20 SER H . 20 . HN 1 3 16 1 1 1 1 16 LYS O . 16 . O 1 3 16 1 2 1 1 20 SER N . 20 . N 1 3 17 1 1 1 1 17 THR O . 17 . O 1 3 17 1 2 1 1 21 LEU H . 21 . HN 1 3 18 1 1 1 1 17 THR O . 17 . O 1 3 18 1 2 1 1 21 LEU N . 21 . N 1 3 19 1 1 1 1 33 VAL O . 33 . O 1 3 19 1 2 1 1 111 SER N . 111 . N 1 3 20 1 1 1 1 33 VAL O . 33 . O 1 3 20 1 2 1 1 111 SER H . 111 . HN 1 3 21 1 1 1 1 45 GLU O . 45 . O 1 3 21 1 2 1 1 49 PHE H . 49 . HN 1 3 22 1 1 1 1 45 GLU O . 45 . O 1 3 22 1 2 1 1 49 PHE N . 49 . N 1 3 23 1 1 1 1 46 LYS O . 46 . O 1 3 23 1 2 1 1 50 CYS H . 50 . HN 1 3 24 1 1 1 1 46 LYS O . 46 . O 1 3 24 1 2 1 1 50 CYS N . 50 . N 1 3 25 1 1 1 1 47 GLU O . 47 . O 1 3 25 1 2 1 1 51 ARG H . 51 . HN 1 3 26 1 1 1 1 47 GLU O . 47 . O 1 3 26 1 2 1 1 51 ARG N . 51 . N 1 3 27 1 1 1 1 48 THR O . 48 . O 1 3 27 1 2 1 1 52 ALA H . 52 . HN 1 3 28 1 1 1 1 48 THR O . 48 . O 1 3 28 1 2 1 1 52 ALA N . 52 . N 1 3 29 1 1 1 1 49 PHE O . 49 . O 1 3 29 1 2 1 1 53 ALA H . 53 . HN 1 3 30 1 1 1 1 49 PHE O . 49 . O 1 3 30 1 2 1 1 53 ALA N . 53 . N 1 3 31 1 1 1 1 50 CYS O . 50 . O 1 3 31 1 2 1 1 54 THR H . 54 . HN 1 3 32 1 1 1 1 50 CYS O . 50 . O 1 3 32 1 2 1 1 54 THR N . 54 . N 1 3 33 1 1 1 1 51 ARG O . 51 . O 1 3 33 1 2 1 1 55 VAL H . 55 . HN 1 3 34 1 1 1 1 51 ARG O . 51 . O 1 3 34 1 2 1 1 55 VAL N . 55 . N 1 3 35 1 1 1 1 52 ALA O . 52 . O 1 3 35 1 2 1 1 56 LEU H . 56 . HN 1 3 36 1 1 1 1 52 ALA O . 52 . O 1 3 36 1 2 1 1 56 LEU N . 56 . N 1 3 37 1 1 1 1 53 ALA O . 53 . O 1 3 37 1 2 1 1 57 ARG H . 57 . HN 1 3 38 1 1 1 1 53 ALA O . 53 . O 1 3 38 1 2 1 1 57 ARG N . 57 . N 1 3 39 1 1 1 1 54 THR O . 54 . O 1 3 39 1 2 1 1 58 GLN H . 58 . HN 1 3 40 1 1 1 1 54 THR O . 54 . O 1 3 40 1 2 1 1 58 GLN N . 58 . N 1 3 41 1 1 1 1 55 VAL O . 55 . O 1 3 41 1 2 1 1 59 PHE H . 59 . HN 1 3 42 1 1 1 1 55 VAL O . 55 . O 1 3 42 1 2 1 1 59 PHE N . 59 . N 1 3 43 1 1 1 1 56 LEU O . 56 . O 1 3 43 1 2 1 1 60 TYR H . 60 . HN 1 3 44 1 1 1 1 56 LEU O . 56 . O 1 3 44 1 2 1 1 60 TYR N . 60 . N 1 3 45 1 1 1 1 57 ARG O . 57 . O 1 3 45 1 2 1 1 61 SER H . 61 . HN 1 3 46 1 1 1 1 57 ARG O . 57 . O 1 3 46 1 2 1 1 61 SER N . 61 . N 1 3 47 1 1 1 1 75 GLN O . 75 . O 1 3 47 1 2 1 1 79 ARG H . 79 . HN 1 3 48 1 1 1 1 75 GLN O . 75 . O 1 3 48 1 2 1 1 79 ARG N . 79 . N 1 3 49 1 1 1 1 76 GLN O . 76 . O 1 3 49 1 2 1 1 80 HIS H . 80 . HN 1 3 50 1 1 1 1 76 GLN O . 76 . O 1 3 50 1 2 1 1 80 HIS N . 80 . N 1 3 51 1 1 1 1 77 PHE O . 77 . O 1 3 51 1 2 1 1 81 LYS H . 81 . HN 1 3 52 1 1 1 1 77 PHE O . 77 . O 1 3 52 1 2 1 1 81 LYS N . 81 . N 1 3 53 1 1 1 1 80 HIS O . 80 . O 1 3 53 1 2 1 1 84 ILE H . 84 . HN 1 3 54 1 1 1 1 80 HIS O . 80 . O 1 3 54 1 2 1 1 84 ILE N . 84 . N 1 3 55 1 1 1 1 82 GLN O . 82 . O 1 3 55 1 2 1 1 86 PHE H . 86 . HN 1 3 56 1 1 1 1 82 GLN O . 82 . O 1 3 56 1 2 1 1 86 PHE N . 86 . N 1 3 57 1 1 1 1 83 LEU O . 83 . O 1 3 57 1 2 1 1 87 LEU H . 87 . HN 1 3 58 1 1 1 1 83 LEU O . 83 . O 1 3 58 1 2 1 1 87 LEU N . 87 . N 1 3 59 1 1 1 1 84 ILE O . 84 . O 1 3 59 1 2 1 1 88 LYS H . 88 . HN 1 3 60 1 1 1 1 84 ILE O . 84 . O 1 3 60 1 2 1 1 88 LYS N . 88 . N 1 3 61 1 1 1 1 85 ARG O . 85 . O 1 3 61 1 2 1 1 89 ARG H . 89 . HN 1 3 62 1 1 1 1 85 ARG O . 85 . O 1 3 62 1 2 1 1 89 ARG N . 89 . N 1 3 63 1 1 1 1 86 PHE O . 86 . O 1 3 63 1 2 1 1 90 LEU H . 90 . HN 1 3 64 1 1 1 1 86 PHE O . 86 . O 1 3 64 1 2 1 1 90 LEU N . 90 . N 1 3 65 1 1 1 1 87 LEU O . 87 . O 1 3 65 1 2 1 1 91 ASP H . 91 . HN 1 3 66 1 1 1 1 87 LEU O . 87 . O 1 3 66 1 2 1 1 91 ASP N . 91 . N 1 3 67 1 1 1 1 89 ARG O . 89 . O 1 3 67 1 2 1 1 93 ASN H . 93 . HN 1 3 68 1 1 1 1 89 ARG O . 89 . O 1 3 68 1 2 1 1 93 ASN N . 93 . N 1 3 69 1 1 1 1 90 LEU O . 90 . O 1 3 69 1 2 1 1 94 LEU H . 94 . HN 1 3 70 1 1 1 1 90 LEU O . 90 . O 1 3 70 1 2 1 1 94 LEU N . 94 . N 1 3 71 1 1 1 1 92 ARG O . 92 . O 1 3 71 1 2 1 1 96 GLY H . 96 . HN 1 3 72 1 1 1 1 92 ARG O . 92 . O 1 3 72 1 2 1 1 96 GLY N . 96 . N 1 3 73 1 1 1 1 33 VAL N . 33 . N 1 3 73 1 2 1 1 111 SER O . 111 . O 1 3 74 1 1 1 1 33 VAL H . 33 . HN 1 3 74 1 2 1 1 111 SER O . 111 . O 1 3 75 1 1 1 1 113 LEU O . 113 . O 1 3 75 1 2 1 1 117 LEU H . 117 . HN 1 3 76 1 1 1 1 113 LEU O . 113 . O 1 3 76 1 2 1 1 117 LEU N . 117 . N 1 3 77 1 1 1 1 114 GLU O . 114 . O 1 3 77 1 2 1 1 118 GLU H . 118 . HN 1 3 78 1 1 1 1 114 GLU O . 114 . O 1 3 78 1 2 1 1 118 GLU N . 118 . N 1 3 79 1 1 1 1 115 ASN O . 115 . O 1 3 79 1 2 1 1 119 ARG H . 119 . HN 1 3 80 1 1 1 1 115 ASN O . 115 . O 1 3 80 1 2 1 1 119 ARG N . 119 . N 1 3 81 1 1 1 1 116 PHE O . 116 . O 1 3 81 1 2 1 1 120 LEU H . 120 . HN 1 3 82 1 1 1 1 116 PHE O . 116 . O 1 3 82 1 2 1 1 120 LEU N . 120 . N 1 3 83 1 1 1 1 117 LEU O . 117 . O 1 3 83 1 2 1 1 121 LYS H . 121 . HN 1 3 84 1 1 1 1 117 LEU O . 117 . O 1 3 84 1 2 1 1 121 LYS N . 121 . N 1 3 85 1 1 1 1 118 GLU O . 118 . O 1 3 85 1 2 1 1 122 THR H . 122 . HN 1 3 86 1 1 1 1 118 GLU O . 118 . O 1 3 86 1 2 1 1 122 THR N . 122 . N 1 3 87 1 1 1 1 119 ARG O . 119 . O 1 3 87 1 2 1 1 123 ILE H . 123 . HN 1 3 88 1 1 1 1 119 ARG O . 119 . O 1 3 88 1 2 1 1 123 ILE N . 123 . N 1 3 89 1 1 1 1 120 LEU O . 120 . O 1 3 89 1 2 1 1 124 MET H . 124 . HN 1 3 90 1 1 1 1 120 LEU O . 120 . O 1 3 90 1 2 1 1 124 MET N . 124 . N 1 3 91 1 1 1 1 121 LYS O . 121 . O 1 3 91 1 2 1 1 125 ARG H . 125 . HN 1 3 92 1 1 1 1 121 LYS O . 121 . O 1 3 92 1 2 1 1 125 ARG N . 125 . N 1 3 93 1 1 1 1 122 THR O . 122 . O 1 3 93 1 2 1 1 126 GLU H . 126 . HN 1 3 94 1 1 1 1 122 THR O . 122 . O 1 3 94 1 2 1 1 126 GLU N . 126 . N 1 3 95 1 1 1 1 123 ILE O . 123 . O 1 3 95 1 2 1 1 127 LYS H . 127 . HN 1 3 96 1 1 1 1 123 ILE O . 123 . O 1 3 96 1 2 1 1 127 LYS N . 127 . N 1 3 97 1 1 1 1 124 MET O . 124 . O 1 3 97 1 2 1 1 128 TYR H . 128 . HN 1 3 98 1 1 1 1 124 MET O . 124 . O 1 3 98 1 2 1 1 128 TYR N . 128 . N 1 3 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.8 1.5 2.3 1 3 2 1 . . . . . 2.8 2.4 3.3 1 3 3 1 . . . . . 1.8 1.5 2.3 1 3 4 1 . . . . . 2.8 2.4 3.3 1 3 5 1 . . . . . 1.8 1.5 2.3 1 3 6 1 . . . . . 2.8 2.4 3.3 1 3 7 1 . . . . . 1.8 1.5 2.3 1 3 8 1 . . . . . 2.8 2.4 3.3 1 3 9 1 . . . . . 1.8 1.5 2.3 1 3 10 1 . . . . . 2.8 2.4 3.3 1 3 11 1 . . . . . 1.8 1.5 2.3 1 3 12 1 . . . . . 2.8 2.4 3.3 1 3 13 1 . . . . . 1.8 1.5 2.3 1 3 14 1 . . . . . 2.8 2.4 3.3 1 3 15 1 . . . . . 1.8 1.5 2.3 1 3 16 1 . . . . . 2.8 2.4 3.3 1 3 17 1 . . . . . 1.8 1.5 2.3 1 3 18 1 . . . . . 2.8 2.4 3.3 1 3 19 1 . . . . . 2.8 2.4 3.3 1 3 20 1 . . . . . 1.8 1.5 2.3 1 3 21 1 . . . . . 1.8 1.5 2.3 1 3 22 1 . . . . . 2.8 2.4 3.3 1 3 23 1 . . . . . 1.8 1.5 2.3 1 3 24 1 . . . . . 2.8 2.4 3.3 1 3 25 1 . . . . . 1.8 1.5 2.3 1 3 26 1 . . . . . 2.8 2.4 3.3 1 3 27 1 . . . . . 1.8 1.5 2.3 1 3 28 1 . . . . . 2.8 2.4 3.3 1 3 29 1 . . . . . 1.8 1.5 2.3 1 3 30 1 . . . . . 2.8 2.4 3.3 1 3 31 1 . . . . . 1.8 1.5 2.3 1 3 32 1 . . . . . 2.8 2.4 3.3 1 3 33 1 . . . . . 1.8 1.5 2.3 1 3 34 1 . . . . . 2.8 2.4 3.3 1 3 35 1 . . . . . 1.8 1.5 2.3 1 3 36 1 . . . . . 2.8 2.4 3.3 1 3 37 1 . . . . . 1.8 1.5 2.3 1 3 38 1 . . . . . 2.8 2.4 3.3 1 3 39 1 . . . . . 1.8 1.5 2.3 1 3 40 1 . . . . . 2.8 2.4 3.3 1 3 41 1 . . . . . 1.8 1.5 2.3 1 3 42 1 . . . . . 2.8 2.4 3.3 1 3 43 1 . . . . . 1.8 1.5 2.3 1 3 44 1 . . . . . 2.8 2.4 3.3 1 3 45 1 . . . . . 1.8 1.5 2.3 1 3 46 1 . . . . . 2.8 2.4 3.3 1 3 47 1 . . . . . 1.8 1.5 2.3 1 3 48 1 . . . . . 2.8 2.4 3.3 1 3 49 1 . . . . . 1.8 1.5 2.3 1 3 50 1 . . . . . 2.8 2.4 3.3 1 3 51 1 . . . . . 1.8 1.5 2.3 1 3 52 1 . . . . . 2.8 2.4 3.3 1 3 53 1 . . . . . 1.8 1.5 2.3 1 3 54 1 . . . . . 2.8 2.4 3.3 1 3 55 1 . . . . . 1.8 1.5 2.3 1 3 56 1 . . . . . 2.8 2.4 3.3 1 3 57 1 . . . . . 1.8 1.5 2.3 1 3 58 1 . . . . . 2.8 2.4 3.3 1 3 59 1 . . . . . 1.8 1.5 2.3 1 3 60 1 . . . . . 2.8 2.4 3.3 1 3 61 1 . . . . . 1.8 1.5 2.3 1 3 62 1 . . . . . 2.8 2.4 3.3 1 3 63 1 . . . . . 1.8 1.5 2.3 1 3 64 1 . . . . . 2.8 2.4 3.3 1 3 65 1 . . . . . 1.8 1.5 2.3 1 3 66 1 . . . . . 2.8 2.4 3.3 1 3 67 1 . . . . . 1.8 1.5 2.3 1 3 68 1 . . . . . 2.8 2.4 3.3 1 3 69 1 . . . . . 1.8 1.5 2.3 1 3 70 1 . . . . . 2.8 2.4 3.3 1 3 71 1 . . . . . 1.8 1.5 2.3 1 3 72 1 . . . . . 2.8 2.4 3.3 1 3 73 1 . . . . . 2.8 2.4 3.3 1 3 74 1 . . . . . 1.8 1.5 2.3 1 3 75 1 . . . . . 1.8 1.5 2.3 1 3 76 1 . . . . . 2.8 2.4 3.3 1 3 77 1 . . . . . 1.8 1.5 2.3 1 3 78 1 . . . . . 2.8 2.4 3.3 1 3 79 1 . . . . . 1.8 1.5 2.3 1 3 80 1 . . . . . 2.8 2.4 3.3 1 3 81 1 . . . . . 1.8 1.5 2.3 1 3 82 1 . . . . . 2.8 2.4 3.3 1 3 83 1 . . . . . 1.8 1.5 2.3 1 3 84 1 . . . . . 2.8 2.4 3.3 1 3 85 1 . . . . . 1.8 1.5 2.3 1 3 86 1 . . . . . 2.8 2.4 3.3 1 3 87 1 . . . . . 1.8 1.5 2.3 1 3 88 1 . . . . . 2.8 2.4 3.3 1 3 89 1 . . . . . 1.8 1.5 2.3 1 3 90 1 . . . . . 2.8 2.4 3.3 1 3 91 1 . . . . . 1.8 1.5 2.3 1 3 92 1 . . . . . 2.8 2.4 3.3 1 3 93 1 . . . . . 1.8 1.5 2.3 1 3 94 1 . . . . . 2.8 2.4 3.3 1 3 95 1 . . . . . 1.8 1.5 2.3 1 3 96 1 . . . . . 2.8 2.4 3.3 1 3 97 1 . . . . . 1.8 1.5 2.3 1 3 98 1 . . . . . 2.8 2.4 3.3 1 3 stop_ save_ save_CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 7 CYS C 1 1 8 ASP N 1 1 8 ASP CA 1 1 8 ASP C -89.99999 -10.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 2 . 1 1 8 ASP C 1 1 9 ILE N 1 1 9 ILE CA 1 1 9 ILE C -89.99999 -10.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 3 . 1 1 9 ILE C 1 1 10 THR N 1 1 10 THR CA 1 1 10 THR C -89.99999 -10.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 4 . 1 1 10 THR C 1 1 11 LEU N 1 1 11 LEU CA 1 1 11 LEU C -89.99999 -10.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 5 . 1 1 11 LEU C 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN C -89.99999 -10.0 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 6 . 1 1 12 GLN C 1 1 13 GLU N 1 1 13 GLU CA 1 1 13 GLU C -89.99999 -10.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 7 . 1 1 13 GLU C 1 1 14 ILE N 1 1 14 ILE CA 1 1 14 ILE C -89.99999 -10.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 8 . 1 1 14 ILE C 1 1 15 ILE N 1 1 15 ILE CA 1 1 15 ILE C -89.99999 -10.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 9 . 1 1 15 ILE C 1 1 16 LYS N 1 1 16 LYS CA 1 1 16 LYS C -89.99999 -10.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 10 . 1 1 16 LYS C 1 1 17 THR N 1 1 17 THR CA 1 1 17 THR C -89.99999 -10.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 11 . 1 1 17 THR C 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C -89.99999 -10.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1 12 . 1 1 18 LEU C 1 1 19 ASN N 1 1 19 ASN CA 1 1 19 ASN C -89.99999 -10.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1 13 . 1 1 19 ASN C 1 1 20 SER N 1 1 20 SER CA 1 1 20 SER C -89.99999 -10.0 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1 14 . 1 1 20 SER C 1 1 21 LEU N 1 1 21 LEU CA 1 1 21 LEU C -89.99999 -10.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1 15 . 1 1 21 LEU C 1 1 22 THR N 1 1 22 THR CA 1 1 22 THR C -89.99999 -10.0 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1 16 . 1 1 22 THR C 1 1 23 GLU N 1 1 23 GLU CA 1 1 23 GLU C -89.99999 -10.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1 17 . 1 1 23 GLU C 1 1 24 GLN N 1 1 24 GLN CA 1 1 24 GLN C -174.99998 -75.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1 18 . 1 1 25 LYS C 1 1 26 THR N 1 1 26 THR CA 1 1 26 THR C -174.99998 -75.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1 19 . 1 1 26 THR C 1 1 27 LEU N 1 1 27 LEU CA 1 1 27 LEU C -89.99999 -10.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1 20 . 1 1 27 LEU C 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS C -89.99999 -10.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1 21 . 1 1 28 CYS C 1 1 29 THR N 1 1 29 THR CA 1 1 29 THR C -89.99999 -10.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1 22 . 1 1 32 THR C 1 1 33 VAL N 1 1 33 VAL CA 1 1 33 VAL C -174.99998 -75.0 . 32 . C . 33 . N . 33 . CA . 33 . C 1 1 23 . 1 1 36 ILE C 1 1 37 PHE N 1 1 37 PHE CA 1 1 37 PHE C -174.99998 -75.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1 24 . 1 1 38 ALA C 1 1 39 ALA N 1 1 39 ALA CA 1 1 39 ALA C -165.0 -85.0 . 38 . C . 39 . N . 39 . CA . 39 . C 1 1 25 . 1 1 42 ASP C 1 1 43 THR N 1 1 43 THR CA 1 1 43 THR C -165.0 -85.0 . 42 . C . 43 . N . 43 . CA . 43 . C 1 1 26 . 1 1 43 THR C 1 1 44 THR N 1 1 44 THR CA 1 1 44 THR C -165.0 -85.0 . 43 . C . 44 . N . 44 . CA . 44 . C 1 1 27 . 1 1 45 GLU C 1 1 46 LYS N 1 1 46 LYS CA 1 1 46 LYS C -89.99999 -10.0 . 45 . C . 46 . N . 46 . CA . 46 . C 1 1 28 . 1 1 46 LYS C 1 1 47 GLU N 1 1 47 GLU CA 1 1 47 GLU C -89.99999 -10.0 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1 29 . 1 1 47 GLU C 1 1 48 THR N 1 1 48 THR CA 1 1 48 THR C -89.99999 -10.0 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1 30 . 1 1 48 THR C 1 1 49 PHE N 1 1 49 PHE CA 1 1 49 PHE C -89.99999 -10.0 . 48 . C . 49 . N . 49 . CA . 49 . C 1 1 31 . 1 1 49 PHE C 1 1 50 CYS N 1 1 50 CYS CA 1 1 50 CYS C -89.99999 -10.0 . 49 . C . 50 . N . 50 . CA . 50 . C 1 1 32 . 1 1 50 CYS C 1 1 51 ARG N 1 1 51 ARG CA 1 1 51 ARG C -89.99999 -10.0 . 50 . C . 51 . N . 51 . CA . 51 . C 1 1 33 . 1 1 51 ARG C 1 1 52 ALA N 1 1 52 ALA CA 1 1 52 ALA C -89.99999 -10.0 . 51 . C . 52 . N . 52 . CA . 52 . C 1 1 34 . 1 1 52 ALA C 1 1 53 ALA N 1 1 53 ALA CA 1 1 53 ALA C -89.99999 -10.0 . 52 . C . 53 . N . 53 . CA . 53 . C 1 1 35 . 1 1 53 ALA C 1 1 54 THR N 1 1 54 THR CA 1 1 54 THR C -89.99999 -10.0 . 53 . C . 54 . N . 54 . CA . 54 . C 1 1 36 . 1 1 54 THR C 1 1 55 VAL N 1 1 55 VAL CA 1 1 55 VAL C -89.99999 -10.0 . 54 . C . 55 . N . 55 . CA . 55 . C 1 1 37 . 1 1 55 VAL C 1 1 56 LEU N 1 1 56 LEU CA 1 1 56 LEU C -89.99999 -10.0 . 55 . C . 56 . N . 56 . CA . 56 . C 1 1 38 . 1 1 56 LEU C 1 1 57 ARG N 1 1 57 ARG CA 1 1 57 ARG C -89.99999 -10.0 . 56 . C . 57 . N . 57 . CA . 57 . C 1 1 39 . 1 1 57 ARG C 1 1 58 GLN N 1 1 58 GLN CA 1 1 58 GLN C -89.99999 -10.0 . 57 . C . 58 . N . 58 . CA . 58 . C 1 1 40 . 1 1 58 GLN C 1 1 59 PHE N 1 1 59 PHE CA 1 1 59 PHE C -89.99999 -10.0 . 58 . C . 59 . N . 59 . CA . 59 . C 1 1 41 . 1 1 59 PHE C 1 1 60 TYR N 1 1 60 TYR CA 1 1 60 TYR C -89.99999 -10.0 . 59 . C . 60 . N . 60 . CA . 60 . C 1 1 42 . 1 1 60 TYR C 1 1 61 SER N 1 1 61 SER CA 1 1 61 SER C -89.99999 -10.0 . 60 . C . 61 . N . 61 . CA . 61 . C 1 1 43 . 1 1 61 SER C 1 1 62 HIS N 1 1 62 HIS CA 1 1 62 HIS C -89.99999 -10.0 . 61 . C . 62 . N . 62 . CA . 62 . C 1 1 44 . 1 1 62 HIS C 1 1 63 HIS N 1 1 63 HIS CA 1 1 63 HIS C -89.99999 -10.0 . 62 . C . 63 . N . 63 . CA . 63 . C 1 1 45 . 1 1 63 HIS C 1 1 64 GLU N 1 1 64 GLU CA 1 1 64 GLU C -89.99999 -10.0 . 63 . C . 64 . N . 64 . CA . 64 . C 1 1 46 . 1 1 65 LYS C 1 1 66 ASP N 1 1 66 ASP CA 1 1 66 ASP C -174.99998 -75.0 . 65 . C . 66 . N . 66 . CA . 66 . C 1 1 47 . 1 1 66 ASP C 1 1 67 THR N 1 1 67 THR CA 1 1 67 THR C -89.99999 -10.0 . 66 . C . 67 . N . 67 . CA . 67 . C 1 1 48 . 1 1 67 THR C 1 1 68 ARG N 1 1 68 ARG CA 1 1 68 ARG C -89.99999 -10.0 . 67 . C . 68 . N . 68 . CA . 68 . C 1 1 49 . 1 1 68 ARG C 1 1 69 CYS N 1 1 69 CYS CA 1 1 69 CYS C -89.99999 -10.0 . 68 . C . 69 . N . 69 . CA . 69 . C 1 1 50 . 1 1 69 CYS C 1 1 70 LEU N 1 1 70 LEU CA 1 1 70 LEU C -89.99999 -10.0 . 69 . C . 70 . N . 70 . CA . 70 . C 1 1 51 . 1 1 71 GLY C 1 1 72 ALA N 1 1 72 ALA CA 1 1 72 ALA C -174.99998 -75.0 . 71 . C . 72 . N . 72 . CA . 72 . C 1 1 52 . 1 1 72 ALA C 1 1 73 THR N 1 1 73 THR CA 1 1 73 THR C -174.99998 -75.0 . 72 . C . 73 . N . 73 . CA . 73 . C 1 1 53 . 1 1 73 THR C 1 1 74 ALA N 1 1 74 ALA CA 1 1 74 ALA C -89.99999 -10.0 . 73 . C . 74 . N . 74 . CA . 74 . C 1 1 54 . 1 1 74 ALA C 1 1 75 GLN N 1 1 75 GLN CA 1 1 75 GLN C -89.99999 -10.0 . 74 . C . 75 . N . 75 . CA . 75 . C 1 1 55 . 1 1 75 GLN C 1 1 76 GLN N 1 1 76 GLN CA 1 1 76 GLN C -89.99999 -10.0 . 75 . C . 76 . N . 76 . CA . 76 . C 1 1 56 . 1 1 76 GLN C 1 1 77 PHE N 1 1 77 PHE CA 1 1 77 PHE C -89.99999 -10.0 . 76 . C . 77 . N . 77 . CA . 77 . C 1 1 57 . 1 1 77 PHE C 1 1 78 HIS N 1 1 78 HIS CA 1 1 78 HIS C -89.99999 -10.0 . 77 . C . 78 . N . 78 . CA . 78 . C 1 1 58 . 1 1 78 HIS C 1 1 79 ARG N 1 1 79 ARG CA 1 1 79 ARG C -89.99999 -10.0 . 78 . C . 79 . N . 79 . CA . 79 . C 1 1 59 . 1 1 79 ARG C 1 1 80 HIS N 1 1 80 HIS CA 1 1 80 HIS C -89.99999 -10.0 . 79 . C . 80 . N . 80 . CA . 80 . C 1 1 60 . 1 1 80 HIS C 1 1 81 LYS N 1 1 81 LYS CA 1 1 81 LYS C -89.99999 -10.0 . 80 . C . 81 . N . 81 . CA . 81 . C 1 1 61 . 1 1 81 LYS C 1 1 82 GLN N 1 1 82 GLN CA 1 1 82 GLN C -89.99999 -10.0 . 81 . C . 82 . N . 82 . CA . 82 . C 1 1 62 . 1 1 82 GLN C 1 1 83 LEU N 1 1 83 LEU CA 1 1 83 LEU C -89.99999 -10.0 . 82 . C . 83 . N . 83 . CA . 83 . C 1 1 63 . 1 1 83 LEU C 1 1 84 ILE N 1 1 84 ILE CA 1 1 84 ILE C -89.99999 -10.0 . 83 . C . 84 . N . 84 . CA . 84 . C 1 1 64 . 1 1 84 ILE C 1 1 85 ARG N 1 1 85 ARG CA 1 1 85 ARG C -89.99999 -10.0 . 84 . C . 85 . N . 85 . CA . 85 . C 1 1 65 . 1 1 85 ARG C 1 1 86 PHE N 1 1 86 PHE CA 1 1 86 PHE C -89.99999 -10.0 . 85 . C . 86 . N . 86 . CA . 86 . C 1 1 66 . 1 1 86 PHE C 1 1 87 LEU N 1 1 87 LEU CA 1 1 87 LEU C -89.99999 -10.0 . 86 . C . 87 . N . 87 . CA . 87 . C 1 1 67 . 1 1 87 LEU C 1 1 88 LYS N 1 1 88 LYS CA 1 1 88 LYS C -89.99999 -10.0 . 87 . C . 88 . N . 88 . CA . 88 . C 1 1 68 . 1 1 88 LYS C 1 1 89 ARG N 1 1 89 ARG CA 1 1 89 ARG C -89.99999 -10.0 . 88 . C . 89 . N . 89 . CA . 89 . C 1 1 69 . 1 1 89 ARG C 1 1 90 LEU N 1 1 90 LEU CA 1 1 90 LEU C -89.99999 -10.0 . 89 . C . 90 . N . 90 . CA . 90 . C 1 1 70 . 1 1 90 LEU C 1 1 91 ASP N 1 1 91 ASP CA 1 1 91 ASP C -89.99999 -10.0 . 90 . C . 91 . N . 91 . CA . 91 . C 1 1 71 . 1 1 91 ASP C 1 1 92 ARG N 1 1 92 ARG CA 1 1 92 ARG C -89.99999 -10.0 . 91 . C . 92 . N . 92 . CA . 92 . C 1 1 72 . 1 1 92 ARG C 1 1 93 ASN N 1 1 93 ASN CA 1 1 93 ASN C -89.99999 -10.0 . 92 . C . 93 . N . 93 . CA . 93 . C 1 1 73 . 1 1 93 ASN C 1 1 94 LEU N 1 1 94 LEU CA 1 1 94 LEU C -89.99999 -10.0 . 93 . C . 94 . N . 94 . CA . 94 . C 1 1 74 . 1 1 94 LEU C 1 1 95 TRP N 1 1 95 TRP CA 1 1 95 TRP C -89.99999 -10.0 . 94 . C . 95 . N . 95 . CA . 95 . C 1 1 75 . 1 1 95 TRP C 1 1 96 GLY N 1 1 96 GLY CA 1 1 96 GLY C -89.99999 -10.0 . 95 . C . 96 . N . 96 . CA . 96 . C 1 1 76 . 1 1 96 GLY C 1 1 97 LEU N 1 1 97 LEU CA 1 1 97 LEU C -89.99999 -10.0 . 96 . C . 97 . N . 97 . CA . 97 . C 1 1 77 . 1 1 97 LEU C 1 1 98 ALA N 1 1 98 ALA CA 1 1 98 ALA C -89.99999 -10.0 . 97 . C . 98 . N . 98 . CA . 98 . C 1 1 78 . 1 1 99 GLY C 1 1 100 LEU N 1 1 100 LEU CA 1 1 100 LEU C -165.0 -85.0 . 99 . C . 100 . N . 100 . CA . 100 . C 1 1 79 . 1 1 101 ASN C 1 1 102 SER N 1 1 102 SER CA 1 1 102 SER C -89.99999 -10.0 . 101 . C . 102 . N . 102 . CA . 102 . C 1 1 80 . 1 1 102 SER C 1 1 103 CYS N 1 1 103 CYS CA 1 1 103 CYS C -165.0 -85.0 . 102 . C . 103 . N . 103 . CA . 103 . C 1 1 81 . 1 1 103 CYS C 1 1 104 PRO N 1 1 104 PRO CA 1 1 104 PRO C -89.99999 -10.0 . 103 . C . 104 . N . 104 . CA . 104 . C 1 1 82 . 1 1 107 GLU C 1 1 108 ALA N 1 1 108 ALA CA 1 1 108 ALA C -174.99998 -75.0 . 107 . C . 108 . N . 108 . CA . 108 . C 1 1 83 . 1 1 110 GLN C 1 1 111 SER N 1 1 111 SER CA 1 1 111 SER C -174.99998 -75.0 . 110 . C . 111 . N . 111 . CA . 111 . C 1 1 84 . 1 1 112 THR C 1 1 113 LEU N 1 1 113 LEU CA 1 1 113 LEU C -89.99999 -10.0 . 112 . C . 113 . N . 113 . CA . 113 . C 1 1 85 . 1 1 113 LEU C 1 1 114 GLU N 1 1 114 GLU CA 1 1 114 GLU C -89.99999 -10.0 . 113 . C . 114 . N . 114 . CA . 114 . C 1 1 86 . 1 1 114 GLU C 1 1 115 ASN N 1 1 115 ASN CA 1 1 115 ASN C -89.99999 -10.0 . 114 . C . 115 . N . 115 . CA . 115 . C 1 1 87 . 1 1 115 ASN C 1 1 116 PHE N 1 1 116 PHE CA 1 1 116 PHE C -89.99999 -10.0 . 115 . C . 116 . N . 116 . CA . 116 . C 1 1 88 . 1 1 116 PHE C 1 1 117 LEU N 1 1 117 LEU CA 1 1 117 LEU C -89.99999 -10.0 . 116 . C . 117 . N . 117 . CA . 117 . C 1 1 89 . 1 1 117 LEU C 1 1 118 GLU N 1 1 118 GLU CA 1 1 118 GLU C -89.99999 -10.0 . 117 . C . 118 . N . 118 . CA . 118 . C 1 1 90 . 1 1 118 GLU C 1 1 119 ARG N 1 1 119 ARG CA 1 1 119 ARG C -89.99999 -10.0 . 118 . C . 119 . N . 119 . CA . 119 . C 1 1 91 . 1 1 119 ARG C 1 1 120 LEU N 1 1 120 LEU CA 1 1 120 LEU C -89.99999 -10.0 . 119 . C . 120 . N . 120 . CA . 120 . C 1 1 92 . 1 1 120 LEU C 1 1 121 LYS N 1 1 121 LYS CA 1 1 121 LYS C -89.99999 -10.0 . 120 . C . 121 . N . 121 . CA . 121 . C 1 1 93 . 1 1 121 LYS C 1 1 122 THR N 1 1 122 THR CA 1 1 122 THR C -89.99999 -10.0 . 121 . C . 122 . N . 122 . CA . 122 . C 1 1 94 . 1 1 122 THR C 1 1 123 ILE N 1 1 123 ILE CA 1 1 123 ILE C -89.99999 -10.0 . 122 . C . 123 . N . 123 . CA . 123 . C 1 1 95 . 1 1 123 ILE C 1 1 124 MET N 1 1 124 MET CA 1 1 124 MET C -89.99999 -10.0 . 123 . C . 124 . N . 124 . CA . 124 . C 1 1 96 . 1 1 124 MET C 1 1 125 ARG N 1 1 125 ARG CA 1 1 125 ARG C -89.99999 -10.0 . 124 . C . 125 . N . 125 . CA . 125 . C 1 1 97 . 1 1 125 ARG C 1 1 126 GLU N 1 1 126 GLU CA 1 1 126 GLU C -89.99999 -10.0 . 125 . C . 126 . N . 126 . CA . 126 . C 1 1 98 . 1 1 126 GLU C 1 1 127 LYS N 1 1 127 LYS CA 1 1 127 LYS C -89.99999 -10.0 . 126 . C . 127 . N . 127 . CA . 127 . C 1 1 99 . 1 1 127 LYS C 1 1 128 TYR N 1 1 128 TYR CA 1 1 128 TYR C -89.99999 -10.0 . 127 . C . 128 . N . 128 . CA . 128 . C 1 1 100 . 1 1 128 TYR C 1 1 129 SER N 1 1 129 SER CA 1 1 129 SER C -89.99999 -10.0 . 128 . C . 129 . N . 129 . CA . 129 . C 1 1 101 . 1 1 132 SER C 1 1 133 SER N 1 1 133 SER CA 1 1 133 SER C -174.99998 -75.0 . 132 . C . 133 . N . 133 . CA . 133 . C 1 1 102 . 1 1 9 ILE N 1 1 9 ILE CA 1 1 9 ILE C 1 1 10 THR N -110.0 10.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 103 . 1 1 10 THR N 1 1 10 THR CA 1 1 10 THR C 1 1 11 LEU N -110.0 10.0 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 104 . 1 1 11 LEU N 1 1 11 LEU CA 1 1 11 LEU C 1 1 12 GLN N -110.0 10.0 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 105 . 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN C 1 1 13 GLU N -110.0 10.0 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 106 . 1 1 13 GLU N 1 1 13 GLU CA 1 1 13 GLU C 1 1 14 ILE N -110.0 10.0 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 107 . 1 1 14 ILE N 1 1 14 ILE CA 1 1 14 ILE C 1 1 15 ILE N -110.0 10.0 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 108 . 1 1 15 ILE N 1 1 15 ILE CA 1 1 15 ILE C 1 1 16 LYS N -110.0 10.0 . 15 . N . 15 . CA . 15 . C . 16 . N 1 1 109 . 1 1 16 LYS N 1 1 16 LYS CA 1 1 16 LYS C 1 1 17 THR N -110.0 10.0 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1 110 . 1 1 17 THR N 1 1 17 THR CA 1 1 17 THR C 1 1 18 LEU N -110.0 10.0 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1 111 . 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C 1 1 19 ASN N -110.0 10.0 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1 112 . 1 1 19 ASN N 1 1 19 ASN CA 1 1 19 ASN C 1 1 20 SER N -110.0 10.0 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1 113 . 1 1 20 SER N 1 1 20 SER CA 1 1 20 SER C 1 1 21 LEU N -110.0 10.0 . 20 . N . 20 . CA . 20 . C . 21 . N 1 1 114 . 1 1 21 LEU N 1 1 21 LEU CA 1 1 21 LEU C 1 1 22 THR N -110.0 10.0 . 21 . N . 21 . CA . 21 . C . 22 . N 1 1 115 . 1 1 27 LEU N 1 1 27 LEU CA 1 1 27 LEU C 1 1 28 CYS N -110.0 10.0 . 27 . N . 27 . CA . 27 . C . 28 . N 1 1 116 . 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS C 1 1 29 THR N -110.0 10.0 . 28 . N . 28 . CA . 28 . C . 29 . N 1 1 117 . 1 1 29 THR N 1 1 29 THR CA 1 1 29 THR C 1 1 30 GLU N -110.0 10.0 . 29 . N . 29 . CA . 29 . C . 30 . N 1 1 118 . 1 1 46 LYS N 1 1 46 LYS CA 1 1 46 LYS C 1 1 47 GLU N -110.0 10.0 . 46 . N . 46 . CA . 46 . C . 47 . N 1 1 119 . 1 1 47 GLU N 1 1 47 GLU CA 1 1 47 GLU C 1 1 48 THR N -110.0 10.0 . 47 . N . 47 . CA . 47 . C . 48 . N 1 1 120 . 1 1 48 THR N 1 1 48 THR CA 1 1 48 THR C 1 1 49 PHE N -110.0 10.0 . 48 . N . 48 . CA . 48 . C . 49 . N 1 1 121 . 1 1 49 PHE N 1 1 49 PHE CA 1 1 49 PHE C 1 1 50 CYS N -110.0 10.0 . 49 . N . 49 . CA . 49 . C . 50 . N 1 1 122 . 1 1 50 CYS N 1 1 50 CYS CA 1 1 50 CYS C 1 1 51 ARG N -110.0 10.0 . 50 . N . 50 . CA . 50 . C . 51 . N 1 1 123 . 1 1 51 ARG N 1 1 51 ARG CA 1 1 51 ARG C 1 1 52 ALA N -110.0 10.0 . 51 . N . 51 . CA . 51 . C . 52 . N 1 1 124 . 1 1 52 ALA N 1 1 52 ALA CA 1 1 52 ALA C 1 1 53 ALA N -110.0 10.0 . 52 . N . 52 . CA . 52 . C . 53 . N 1 1 125 . 1 1 53 ALA N 1 1 53 ALA CA 1 1 53 ALA C 1 1 54 THR N -110.0 10.0 . 53 . N . 53 . CA . 53 . C . 54 . N 1 1 126 . 1 1 54 THR N 1 1 54 THR CA 1 1 54 THR C 1 1 55 VAL N -110.0 10.0 . 54 . N . 54 . CA . 54 . C . 55 . N 1 1 127 . 1 1 55 VAL N 1 1 55 VAL CA 1 1 55 VAL C 1 1 56 LEU N -110.0 10.0 . 55 . N . 55 . CA . 55 . C . 56 . N 1 1 128 . 1 1 56 LEU N 1 1 56 LEU CA 1 1 56 LEU C 1 1 57 ARG N -110.0 10.0 . 56 . N . 56 . CA . 56 . C . 57 . N 1 1 129 . 1 1 57 ARG N 1 1 57 ARG CA 1 1 57 ARG C 1 1 58 GLN N -110.0 10.0 . 57 . N . 57 . CA . 57 . C . 58 . N 1 1 130 . 1 1 58 GLN N 1 1 58 GLN CA 1 1 58 GLN C 1 1 59 PHE N -110.0 10.0 . 58 . N . 58 . CA . 58 . C . 59 . N 1 1 131 . 1 1 59 PHE N 1 1 59 PHE CA 1 1 59 PHE C 1 1 60 TYR N -110.0 10.0 . 59 . N . 59 . CA . 59 . C . 60 . N 1 1 132 . 1 1 60 TYR N 1 1 60 TYR CA 1 1 60 TYR C 1 1 61 SER N -110.0 10.0 . 60 . N . 60 . CA . 60 . C . 61 . N 1 1 133 . 1 1 61 SER N 1 1 61 SER CA 1 1 61 SER C 1 1 62 HIS N -110.0 10.0 . 61 . N . 61 . CA . 61 . C . 62 . N 1 1 134 . 1 1 62 HIS N 1 1 62 HIS CA 1 1 62 HIS C 1 1 63 HIS N -110.0 10.0 . 62 . N . 62 . CA . 62 . C . 63 . N 1 1 135 . 1 1 74 ALA N 1 1 74 ALA CA 1 1 74 ALA C 1 1 75 GLN N -110.0 10.0 . 74 . N . 74 . CA . 74 . C . 75 . N 1 1 136 . 1 1 75 GLN N 1 1 75 GLN CA 1 1 75 GLN C 1 1 76 GLN N -110.0 10.0 . 75 . N . 75 . CA . 75 . C . 76 . N 1 1 137 . 1 1 76 GLN N 1 1 76 GLN CA 1 1 76 GLN C 1 1 77 PHE N -110.0 10.0 . 76 . N . 76 . CA . 76 . C . 77 . N 1 1 138 . 1 1 77 PHE N 1 1 77 PHE CA 1 1 77 PHE C 1 1 78 HIS N -110.0 10.0 . 77 . N . 77 . CA . 77 . C . 78 . N 1 1 139 . 1 1 78 HIS N 1 1 78 HIS CA 1 1 78 HIS C 1 1 79 ARG N -110.0 10.0 . 78 . N . 78 . CA . 78 . C . 79 . N 1 1 140 . 1 1 79 ARG N 1 1 79 ARG CA 1 1 79 ARG C 1 1 80 HIS N -110.0 10.0 . 79 . N . 79 . CA . 79 . C . 80 . N 1 1 141 . 1 1 80 HIS N 1 1 80 HIS CA 1 1 80 HIS C 1 1 81 LYS N -110.0 10.0 . 80 . N . 80 . CA . 80 . C . 81 . N 1 1 142 . 1 1 81 LYS N 1 1 81 LYS CA 1 1 81 LYS C 1 1 82 GLN N -110.0 10.0 . 81 . N . 81 . CA . 81 . C . 82 . N 1 1 143 . 1 1 82 GLN N 1 1 82 GLN CA 1 1 82 GLN C 1 1 83 LEU N -110.0 10.0 . 82 . N . 82 . CA . 82 . C . 83 . N 1 1 144 . 1 1 83 LEU N 1 1 83 LEU CA 1 1 83 LEU C 1 1 84 ILE N -110.0 10.0 . 83 . N . 83 . CA . 83 . C . 84 . N 1 1 145 . 1 1 84 ILE N 1 1 84 ILE CA 1 1 84 ILE C 1 1 85 ARG N -110.0 10.0 . 84 . N . 84 . CA . 84 . C . 85 . N 1 1 146 . 1 1 85 ARG N 1 1 85 ARG CA 1 1 85 ARG C 1 1 86 PHE N -110.0 10.0 . 85 . N . 85 . CA . 85 . C . 86 . N 1 1 147 . 1 1 86 PHE N 1 1 86 PHE CA 1 1 86 PHE C 1 1 87 LEU N -110.0 10.0 . 86 . N . 86 . CA . 86 . C . 87 . N 1 1 148 . 1 1 87 LEU N 1 1 87 LEU CA 1 1 87 LEU C 1 1 88 LYS N -110.0 10.0 . 87 . N . 87 . CA . 87 . C . 88 . N 1 1 149 . 1 1 88 LYS N 1 1 88 LYS CA 1 1 88 LYS C 1 1 89 ARG N -110.0 10.0 . 88 . N . 88 . CA . 88 . C . 89 . N 1 1 150 . 1 1 89 ARG N 1 1 89 ARG CA 1 1 89 ARG C 1 1 90 LEU N -110.0 10.0 . 89 . N . 89 . CA . 89 . C . 90 . N 1 1 151 . 1 1 90 LEU N 1 1 90 LEU CA 1 1 90 LEU C 1 1 91 ASP N -110.0 10.0 . 90 . N . 90 . CA . 90 . C . 91 . N 1 1 152 . 1 1 91 ASP N 1 1 91 ASP CA 1 1 91 ASP C 1 1 92 ARG N -110.0 10.0 . 91 . N . 91 . CA . 91 . C . 92 . N 1 1 153 . 1 1 92 ARG N 1 1 92 ARG CA 1 1 92 ARG C 1 1 93 ASN N -110.0 10.0 . 92 . N . 92 . CA . 92 . C . 93 . N 1 1 154 . 1 1 93 ASN N 1 1 93 ASN CA 1 1 93 ASN C 1 1 94 LEU N -110.0 10.0 . 93 . N . 93 . CA . 93 . C . 94 . N 1 1 155 . 1 1 94 LEU N 1 1 94 LEU CA 1 1 94 LEU C 1 1 95 TRP N -110.0 10.0 . 94 . N . 94 . CA . 94 . C . 95 . N 1 1 156 . 1 1 95 TRP N 1 1 95 TRP CA 1 1 95 TRP C 1 1 96 GLY N -110.0 10.0 . 95 . N . 95 . CA . 95 . C . 96 . N 1 1 157 . 1 1 96 GLY N 1 1 96 GLY CA 1 1 96 GLY C 1 1 97 LEU N -110.0 10.0 . 96 . N . 96 . CA . 96 . C . 97 . N 1 1 158 . 1 1 97 LEU N 1 1 97 LEU CA 1 1 97 LEU C 1 1 98 ALA N -110.0 10.0 . 97 . N . 97 . CA . 97 . C . 98 . N 1 1 159 . 1 1 113 LEU N 1 1 113 LEU CA 1 1 113 LEU C 1 1 114 GLU N -110.0 10.0 . 113 . N . 113 . CA . 113 . C . 114 . N 1 1 160 . 1 1 114 GLU N 1 1 114 GLU CA 1 1 114 GLU C 1 1 115 ASN N -110.0 10.0 . 114 . N . 114 . CA . 114 . C . 115 . N 1 1 161 . 1 1 115 ASN N 1 1 115 ASN CA 1 1 115 ASN C 1 1 116 PHE N -110.0 10.0 . 115 . N . 115 . CA . 115 . C . 116 . N 1 1 162 . 1 1 116 PHE N 1 1 116 PHE CA 1 1 116 PHE C 1 1 117 LEU N -110.0 10.0 . 116 . N . 116 . CA . 116 . C . 117 . N 1 1 163 . 1 1 117 LEU N 1 1 117 LEU CA 1 1 117 LEU C 1 1 118 GLU N -110.0 10.0 . 117 . N . 117 . CA . 117 . C . 118 . N 1 1 164 . 1 1 118 GLU N 1 1 118 GLU CA 1 1 118 GLU C 1 1 119 ARG N -110.0 10.0 . 118 . N . 118 . CA . 118 . C . 119 . N 1 1 165 . 1 1 119 ARG N 1 1 119 ARG CA 1 1 119 ARG C 1 1 120 LEU N -110.0 10.0 . 119 . N . 119 . CA . 119 . C . 120 . N 1 1 166 . 1 1 120 LEU N 1 1 120 LEU CA 1 1 120 LEU C 1 1 121 LYS N -110.0 10.0 . 120 . N . 120 . CA . 120 . C . 121 . N 1 1 167 . 1 1 121 LYS N 1 1 121 LYS CA 1 1 121 LYS C 1 1 122 THR N -110.0 10.0 . 121 . N . 121 . CA . 121 . C . 122 . N 1 1 168 . 1 1 122 THR N 1 1 122 THR CA 1 1 122 THR C 1 1 123 ILE N -110.0 10.0 . 122 . N . 122 . CA . 122 . C . 123 . N 1 1 169 . 1 1 123 ILE N 1 1 123 ILE CA 1 1 123 ILE C 1 1 124 MET N -110.0 10.0 . 123 . N . 123 . CA . 123 . C . 124 . N 1 1 170 . 1 1 124 MET N 1 1 124 MET CA 1 1 124 MET C 1 1 125 ARG N -110.0 10.0 . 124 . N . 124 . CA . 124 . C . 125 . N 1 1 171 . 1 1 125 ARG N 1 1 125 ARG CA 1 1 125 ARG C 1 1 126 GLU N -110.0 10.0 . 125 . N . 125 . CA . 125 . C . 126 . N 1 1 172 . 1 1 126 GLU N 1 1 126 GLU CA 1 1 126 GLU C 1 1 127 LYS N -110.0 10.0 . 126 . N . 126 . CA . 126 . C . 127 . N 1 1 173 . 1 1 127 LYS N 1 1 127 LYS CA 1 1 127 LYS C 1 1 128 TYR N -110.0 10.0 . 127 . N . 127 . CA . 127 . C . 128 . N 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLU C C -19.948 16.744 7.087 1.00 . A A . 1 GLU C 1 1 1 2 1 1 1 GLU CA C -20.159 17.721 5.927 1.00 . A A . 1 GLU CA 1 1 1 3 1 1 1 GLU CB C -19.153 17.419 4.815 1.00 . A A . 1 GLU CB 1 1 1 4 1 1 1 GLU CD C -16.981 18.610 4.546 1.00 . A A . 1 GLU CD 1 1 1 5 1 1 1 GLU CG C -17.734 17.544 5.348 1.00 . A A . 1 GLU CG 1 1 1 6 1 1 1 GLU H1 H -20.156 19.152 7.431 1.00 . A A . 1 GLU H1 1 1 1 7 1 1 1 GLU H2 H -19.028 19.450 6.197 1.00 . A A . 1 GLU H2 1 1 1 8 1 1 1 GLU H3 H -20.679 19.731 5.927 1.00 . A A . 1 GLU H3 1 1 1 9 1 1 1 GLU HA H -21.159 17.600 5.539 1.00 . A A . 1 GLU HA 1 1 1 10 1 1 1 GLU HB2 H -19.309 16.412 4.460 1.00 . A A . 1 GLU HB2 1 1 1 11 1 1 1 GLU HB3 H -19.293 18.114 3.999 1.00 . A A . 1 GLU HB3 1 1 1 12 1 1 1 GLU HG2 H -17.761 17.821 6.392 1.00 . A A . 1 GLU HG2 1 1 1 13 1 1 1 GLU HG3 H -17.233 16.596 5.236 1.00 . A A . 1 GLU HG3 1 1 1 14 1 1 1 GLU N N -19.990 19.118 6.407 1.00 . A A . 1 GLU N 1 1 1 15 1 1 1 GLU O O -19.234 17.018 8.031 1.00 . A A . 1 GLU O 1 1 1 16 1 1 1 GLU OE1 O -17.174 19.784 4.819 1.00 . A A . 1 GLU OE1 1 1 1 17 1 1 1 GLU OE2 O -16.226 18.229 3.668 1.00 . A A . 1 GLU OE2 1 1 1 18 1 1 2 ALA C C -21.247 13.359 7.675 1.00 . A A . 2 ALA C 1 1 1 19 1 1 2 ALA CA C -20.438 14.584 8.086 1.00 . A A . 2 ALA CA 1 1 1 20 1 1 2 ALA CB C -20.979 15.138 9.402 1.00 . A A . 2 ALA CB 1 1 1 21 1 1 2 ALA H H -21.142 15.416 6.235 1.00 . A A . 2 ALA H 1 1 1 22 1 1 2 ALA HA H -19.399 14.311 8.203 1.00 . A A . 2 ALA HA 1 1 1 23 1 1 2 ALA HB1 H -21.490 16.070 9.217 1.00 . A A . 2 ALA HB1 1 1 1 24 1 1 2 ALA HB2 H -21.668 14.428 9.836 1.00 . A A . 2 ALA HB2 1 1 1 25 1 1 2 ALA HB3 H -20.158 15.305 10.084 1.00 . A A . 2 ALA HB3 1 1 1 26 1 1 2 ALA N N -20.574 15.605 7.011 1.00 . A A . 2 ALA N 1 1 1 27 1 1 2 ALA O O -20.813 12.233 7.816 1.00 . A A . 2 ALA O 1 1 1 28 1 1 3 GLU C C -22.898 12.117 5.247 1.00 . A A . 3 GLU C 1 1 1 29 1 1 3 GLU CA C -23.265 12.452 6.691 1.00 . A A . 3 GLU CA 1 1 1 30 1 1 3 GLU CB C -24.738 12.854 6.756 1.00 . A A . 3 GLU CB 1 1 1 31 1 1 3 GLU CD C -26.815 12.172 7.957 1.00 . A A . 3 GLU CD 1 1 1 32 1 1 3 GLU CG C -25.319 12.445 8.110 1.00 . A A . 3 GLU CG 1 1 1 33 1 1 3 GLU H H -22.731 14.504 7.031 1.00 . A A . 3 GLU H 1 1 1 34 1 1 3 GLU HA H -23.093 11.591 7.318 1.00 . A A . 3 GLU HA 1 1 1 35 1 1 3 GLU HB2 H -24.825 13.924 6.632 1.00 . A A . 3 GLU HB2 1 1 1 36 1 1 3 GLU HB3 H -25.281 12.355 5.968 1.00 . A A . 3 GLU HB3 1 1 1 37 1 1 3 GLU HG2 H -24.822 11.551 8.458 1.00 . A A . 3 GLU HG2 1 1 1 38 1 1 3 GLU HG3 H -25.170 13.242 8.822 1.00 . A A . 3 GLU HG3 1 1 1 39 1 1 3 GLU N N -22.417 13.583 7.145 1.00 . A A . 3 GLU N 1 1 1 40 1 1 3 GLU O O -23.125 12.893 4.339 1.00 . A A . 3 GLU O 1 1 1 41 1 1 3 GLU OE1 O -27.156 11.093 7.502 1.00 . A A . 3 GLU OE1 1 1 1 42 1 1 3 GLU OE2 O -27.595 13.047 8.294 1.00 . A A . 3 GLU OE2 1 1 1 43 1 1 4 ALA C C -21.342 9.196 3.677 1.00 . A A . 4 ALA C 1 1 1 44 1 1 4 ALA CA C -21.937 10.595 3.649 1.00 . A A . 4 ALA CA 1 1 1 45 1 1 4 ALA CB C -20.889 11.579 3.126 1.00 . A A . 4 ALA CB 1 1 1 46 1 1 4 ALA H H -22.143 10.366 5.775 1.00 . A A . 4 ALA H 1 1 1 47 1 1 4 ALA HA H -22.806 10.612 3.008 1.00 . A A . 4 ALA HA 1 1 1 48 1 1 4 ALA HB1 H -21.023 12.537 3.606 1.00 . A A . 4 ALA HB1 1 1 1 49 1 1 4 ALA HB2 H -19.901 11.201 3.344 1.00 . A A . 4 ALA HB2 1 1 1 50 1 1 4 ALA HB3 H -21.001 11.692 2.057 1.00 . A A . 4 ALA HB3 1 1 1 51 1 1 4 ALA N N -22.326 10.975 5.029 1.00 . A A . 4 ALA N 1 1 1 52 1 1 4 ALA O O -21.423 8.494 4.665 1.00 . A A . 4 ALA O 1 1 1 53 1 1 5 HIS C C -18.607 7.620 2.551 1.00 . A A . 5 HIS C 1 1 1 54 1 1 5 HIS CA C -20.116 7.446 2.581 1.00 . A A . 5 HIS CA 1 1 1 55 1 1 5 HIS CB C -20.569 6.696 1.329 1.00 . A A . 5 HIS CB 1 1 1 56 1 1 5 HIS CD2 C -23.103 7.360 1.147 1.00 . A A . 5 HIS CD2 1 1 1 57 1 1 5 HIS CE1 C -23.967 5.445 1.672 1.00 . A A . 5 HIS CE1 1 1 1 58 1 1 5 HIS CG C -22.058 6.501 1.379 1.00 . A A . 5 HIS CG 1 1 1 59 1 1 5 HIS H H -20.669 9.377 1.826 1.00 . A A . 5 HIS H 1 1 1 60 1 1 5 HIS HA H -20.402 6.891 3.464 1.00 . A A . 5 HIS HA 1 1 1 61 1 1 5 HIS HB2 H -20.310 7.271 0.452 1.00 . A A . 5 HIS HB2 1 1 1 62 1 1 5 HIS HB3 H -20.082 5.733 1.287 1.00 . A A . 5 HIS HB3 1 1 1 63 1 1 5 HIS HD1 H -22.154 4.461 1.934 1.00 . A A . 5 HIS HD1 1 1 1 64 1 1 5 HIS HD2 H -23.004 8.398 0.864 1.00 . A A . 5 HIS HD2 1 1 1 65 1 1 5 HIS HE1 H -24.677 4.661 1.889 1.00 . A A . 5 HIS HE1 1 1 1 66 1 1 5 HIS N N -20.733 8.790 2.609 1.00 . A A . 5 HIS N 1 1 1 67 1 1 5 HIS ND1 N -22.633 5.286 1.712 1.00 . A A . 5 HIS ND1 1 1 1 68 1 1 5 HIS NE2 N -24.308 6.692 1.333 1.00 . A A . 5 HIS NE2 1 1 1 69 1 1 5 HIS O O -18.050 7.938 1.524 1.00 . A A . 5 HIS O 1 1 1 70 1 1 6 LYS C C -15.894 6.668 2.612 1.00 . A A . 6 LYS C 1 1 1 71 1 1 6 LYS CA C -16.462 7.585 3.687 1.00 . A A . 6 LYS CA 1 1 1 72 1 1 6 LYS CB C -15.911 7.200 5.063 1.00 . A A . 6 LYS CB 1 1 1 73 1 1 6 LYS CD C -17.458 8.850 6.221 1.00 . A A . 6 LYS CD 1 1 1 74 1 1 6 LYS CE C -18.253 7.765 6.958 1.00 . A A . 6 LYS CE 1 1 1 75 1 1 6 LYS CG C -15.998 8.401 6.024 1.00 . A A . 6 LYS CG 1 1 1 76 1 1 6 LYS H H -18.421 7.177 4.483 1.00 . A A . 6 LYS H 1 1 1 77 1 1 6 LYS HA H -16.205 8.611 3.463 1.00 . A A . 6 LYS HA 1 1 1 78 1 1 6 LYS HB2 H -16.480 6.372 5.458 1.00 . A A . 6 LYS HB2 1 1 1 79 1 1 6 LYS HB3 H -14.879 6.904 4.960 1.00 . A A . 6 LYS HB3 1 1 1 80 1 1 6 LYS HD2 H -17.472 9.759 6.808 1.00 . A A . 6 LYS HD2 1 1 1 81 1 1 6 LYS HD3 H -17.912 9.040 5.264 1.00 . A A . 6 LYS HD3 1 1 1 82 1 1 6 LYS HE2 H -17.894 6.792 6.669 1.00 . A A . 6 LYS HE2 1 1 1 83 1 1 6 LYS HE3 H -18.128 7.891 8.024 1.00 . A A . 6 LYS HE3 1 1 1 84 1 1 6 LYS HG2 H -15.581 8.124 6.981 1.00 . A A . 6 LYS HG2 1 1 1 85 1 1 6 LYS HG3 H -15.429 9.224 5.615 1.00 . A A . 6 LYS HG3 1 1 1 86 1 1 6 LYS HZ1 H -19.922 8.871 6.382 1.00 . A A . 6 LYS HZ1 1 1 1 87 1 1 6 LYS HZ2 H -19.908 7.283 5.790 1.00 . A A . 6 LYS HZ2 1 1 1 88 1 1 6 LYS HZ3 H -20.275 7.575 7.422 1.00 . A A . 6 LYS HZ3 1 1 1 89 1 1 6 LYS N N -17.943 7.427 3.666 1.00 . A A . 6 LYS N 1 1 1 90 1 1 6 LYS NZ N -19.699 7.883 6.612 1.00 . A A . 6 LYS NZ 1 1 1 91 1 1 6 LYS O O -15.719 5.482 2.812 1.00 . A A . 6 LYS O 1 1 1 92 1 1 7 CYS C C -14.956 7.294 -0.898 1.00 . A A . 7 CYS C 1 1 1 93 1 1 7 CYS CA C -15.160 6.390 0.326 1.00 . A A . 7 CYS CA 1 1 1 94 1 1 7 CYS CB C -16.204 5.318 -0.002 1.00 . A A . 7 CYS CB 1 1 1 95 1 1 7 CYS H H -15.841 8.159 1.329 1.00 . A A . 7 CYS H 1 1 1 96 1 1 7 CYS HA H -14.235 5.918 0.605 1.00 . A A . 7 CYS HA 1 1 1 97 1 1 7 CYS HB2 H -16.253 4.605 0.808 1.00 . A A . 7 CYS HB2 1 1 1 98 1 1 7 CYS HB3 H -17.170 5.784 -0.129 1.00 . A A . 7 CYS HB3 1 1 1 99 1 1 7 CYS N N -15.658 7.209 1.457 1.00 . A A . 7 CYS N 1 1 1 100 1 1 7 CYS O O -14.098 7.068 -1.726 1.00 . A A . 7 CYS O 1 1 1 101 1 1 7 CYS SG S -15.742 4.466 -1.529 1.00 . A A . 7 CYS SG 1 1 1 102 1 1 8 ASP C C -14.437 10.159 -2.016 1.00 . A A . 8 ASP C 1 1 1 103 1 1 8 ASP CA C -15.636 9.221 -2.199 1.00 . A A . 8 ASP CA 1 1 1 104 1 1 8 ASP CB C -16.914 10.055 -2.319 1.00 . A A . 8 ASP CB 1 1 1 105 1 1 8 ASP CG C -17.211 10.334 -3.792 1.00 . A A . 8 ASP CG 1 1 1 106 1 1 8 ASP H H -16.466 8.470 -0.373 1.00 . A A . 8 ASP H 1 1 1 107 1 1 8 ASP HA H -15.502 8.640 -3.095 1.00 . A A . 8 ASP HA 1 1 1 108 1 1 8 ASP HB2 H -17.739 9.512 -1.880 1.00 . A A . 8 ASP HB2 1 1 1 109 1 1 8 ASP HB3 H -16.781 10.992 -1.797 1.00 . A A . 8 ASP HB3 1 1 1 110 1 1 8 ASP N N -15.763 8.311 -1.032 1.00 . A A . 8 ASP N 1 1 1 111 1 1 8 ASP O O -13.667 10.372 -2.925 1.00 . A A . 8 ASP O 1 1 1 112 1 1 8 ASP OD1 O -16.393 10.978 -4.429 1.00 . A A . 8 ASP OD1 1 1 1 113 1 1 8 ASP OD2 O -18.250 9.899 -4.259 1.00 . A A . 8 ASP OD2 1 1 1 114 1 1 9 ILE C C -11.910 10.974 -0.108 1.00 . A A . 9 ILE C 1 1 1 115 1 1 9 ILE CA C -13.151 11.693 -0.651 1.00 . A A . 9 ILE CA 1 1 1 116 1 1 9 ILE CB C -13.579 12.775 0.342 1.00 . A A . 9 ILE CB 1 1 1 117 1 1 9 ILE CD1 C -15.103 14.723 0.699 1.00 . A A . 9 ILE CD1 1 1 1 118 1 1 9 ILE CG1 C -14.660 13.650 -0.297 1.00 . A A . 9 ILE CG1 1 1 1 119 1 1 9 ILE CG2 C -12.371 13.644 0.704 1.00 . A A . 9 ILE CG2 1 1 1 120 1 1 9 ILE H H -14.931 10.579 -0.142 1.00 . A A . 9 ILE H 1 1 1 121 1 1 9 ILE HA H -12.904 12.160 -1.592 1.00 . A A . 9 ILE HA 1 1 1 122 1 1 9 ILE HB H -13.969 12.311 1.236 1.00 . A A . 9 ILE HB 1 1 1 123 1 1 9 ILE HD11 H -14.680 14.511 1.670 1.00 . A A . 9 ILE HD11 1 1 1 124 1 1 9 ILE HD12 H -14.763 15.690 0.362 1.00 . A A . 9 ILE HD12 1 1 1 125 1 1 9 ILE HD13 H -16.181 14.726 0.770 1.00 . A A . 9 ILE HD13 1 1 1 126 1 1 9 ILE HG12 H -14.263 14.122 -1.184 1.00 . A A . 9 ILE HG12 1 1 1 127 1 1 9 ILE HG13 H -15.508 13.037 -0.564 1.00 . A A . 9 ILE HG13 1 1 1 128 1 1 9 ILE HG21 H -11.919 14.027 -0.199 1.00 . A A . 9 ILE HG21 1 1 1 129 1 1 9 ILE HG22 H -12.695 14.470 1.321 1.00 . A A . 9 ILE HG22 1 1 1 130 1 1 9 ILE HG23 H -11.649 13.052 1.246 1.00 . A A . 9 ILE HG23 1 1 1 131 1 1 9 ILE N N -14.287 10.744 -0.862 1.00 . A A . 9 ILE N 1 1 1 132 1 1 9 ILE O O -10.876 10.940 -0.742 1.00 . A A . 9 ILE O 1 1 1 133 1 1 10 THR C C -10.283 8.628 0.797 1.00 . A A . 10 THR C 1 1 1 134 1 1 10 THR CA C -10.806 9.761 1.688 1.00 . A A . 10 THR CA 1 1 1 135 1 1 10 THR CB C -11.210 9.177 3.043 1.00 . A A . 10 THR CB 1 1 1 136 1 1 10 THR CG2 C -10.023 8.434 3.656 1.00 . A A . 10 THR CG2 1 1 1 137 1 1 10 THR H H -12.827 10.506 1.585 1.00 . A A . 10 THR H 1 1 1 138 1 1 10 THR HA H -10.020 10.486 1.837 1.00 . A A . 10 THR HA 1 1 1 139 1 1 10 THR HB H -12.028 8.488 2.906 1.00 . A A . 10 THR HB 1 1 1 140 1 1 10 THR HG1 H -12.154 9.847 4.605 1.00 . A A . 10 THR HG1 1 1 1 141 1 1 10 THR HG21 H -9.115 8.989 3.471 1.00 . A A . 10 THR HG21 1 1 1 142 1 1 10 THR HG22 H -10.172 8.335 4.722 1.00 . A A . 10 THR HG22 1 1 1 143 1 1 10 THR HG23 H -9.943 7.453 3.211 1.00 . A A . 10 THR HG23 1 1 1 144 1 1 10 THR N N -11.992 10.439 1.077 1.00 . A A . 10 THR N 1 1 1 145 1 1 10 THR O O -9.096 8.369 0.746 1.00 . A A . 10 THR O 1 1 1 146 1 1 10 THR OG1 O -11.614 10.229 3.909 1.00 . A A . 10 THR OG1 1 1 1 147 1 1 11 LEU C C -10.203 7.246 -2.086 1.00 . A A . 11 LEU C 1 1 1 148 1 1 11 LEU CA C -10.684 6.781 -0.710 1.00 . A A . 11 LEU CA 1 1 1 149 1 1 11 LEU CB C -11.830 5.794 -0.875 1.00 . A A . 11 LEU CB 1 1 1 150 1 1 11 LEU CD1 C -10.905 4.576 1.123 1.00 . A A . 11 LEU CD1 1 1 1 151 1 1 11 LEU CD2 C -12.728 3.573 -0.234 1.00 . A A . 11 LEU CD2 1 1 1 152 1 1 11 LEU CG C -11.465 4.425 -0.292 1.00 . A A . 11 LEU CG 1 1 1 153 1 1 11 LEU H H -12.106 8.123 0.204 1.00 . A A . 11 LEU H 1 1 1 154 1 1 11 LEU HA H -9.866 6.292 -0.211 1.00 . A A . 11 LEU HA 1 1 1 155 1 1 11 LEU HB2 H -12.685 6.177 -0.357 1.00 . A A . 11 LEU HB2 1 1 1 156 1 1 11 LEU HB3 H -12.064 5.687 -1.923 1.00 . A A . 11 LEU HB3 1 1 1 157 1 1 11 LEU HD11 H -11.030 5.596 1.453 1.00 . A A . 11 LEU HD11 1 1 1 158 1 1 11 LEU HD12 H -11.436 3.913 1.790 1.00 . A A . 11 LEU HD12 1 1 1 159 1 1 11 LEU HD13 H -9.855 4.322 1.123 1.00 . A A . 11 LEU HD13 1 1 1 160 1 1 11 LEU HD21 H -13.257 3.664 -1.167 1.00 . A A . 11 LEU HD21 1 1 1 161 1 1 11 LEU HD22 H -12.462 2.540 -0.070 1.00 . A A . 11 LEU HD22 1 1 1 162 1 1 11 LEU HD23 H -13.359 3.917 0.572 1.00 . A A . 11 LEU HD23 1 1 1 163 1 1 11 LEU HG H -10.733 3.945 -0.924 1.00 . A A . 11 LEU HG 1 1 1 164 1 1 11 LEU N N -11.150 7.924 0.130 1.00 . A A . 11 LEU N 1 1 1 165 1 1 11 LEU O O -9.174 6.808 -2.546 1.00 . A A . 11 LEU O 1 1 1 166 1 1 12 GLN C C -9.041 9.162 -3.932 1.00 . A A . 12 GLN C 1 1 1 167 1 1 12 GLN CA C -10.427 8.541 -4.104 1.00 . A A . 12 GLN CA 1 1 1 168 1 1 12 GLN CB C -11.405 9.536 -4.752 1.00 . A A . 12 GLN CB 1 1 1 169 1 1 12 GLN CD C -12.026 11.935 -5.084 1.00 . A A . 12 GLN CD 1 1 1 170 1 1 12 GLN CG C -11.029 10.984 -4.414 1.00 . A A . 12 GLN CG 1 1 1 171 1 1 12 GLN H H -11.758 8.460 -2.397 1.00 . A A . 12 GLN H 1 1 1 172 1 1 12 GLN HA H -10.339 7.669 -4.737 1.00 . A A . 12 GLN HA 1 1 1 173 1 1 12 GLN HB2 H -11.381 9.407 -5.824 1.00 . A A . 12 GLN HB2 1 1 1 174 1 1 12 GLN HB3 H -12.402 9.333 -4.396 1.00 . A A . 12 GLN HB3 1 1 1 175 1 1 12 GLN HE21 H -10.670 12.716 -6.309 1.00 . A A . 12 GLN HE21 1 1 1 176 1 1 12 GLN HE22 H -12.240 13.341 -6.470 1.00 . A A . 12 GLN HE22 1 1 1 177 1 1 12 GLN HG2 H -11.057 11.126 -3.343 1.00 . A A . 12 GLN HG2 1 1 1 178 1 1 12 GLN HG3 H -10.037 11.201 -4.782 1.00 . A A . 12 GLN HG3 1 1 1 179 1 1 12 GLN N N -10.918 8.109 -2.761 1.00 . A A . 12 GLN N 1 1 1 180 1 1 12 GLN NE2 N -11.612 12.730 -6.033 1.00 . A A . 12 GLN NE2 1 1 1 181 1 1 12 GLN O O -8.174 9.021 -4.772 1.00 . A A . 12 GLN O 1 1 1 182 1 1 12 GLN OE1 O -13.192 11.954 -4.749 1.00 . A A . 12 GLN OE1 1 1 1 183 1 1 13 GLU C C -6.515 9.273 -2.280 1.00 . A A . 13 GLU C 1 1 1 184 1 1 13 GLU CA C -7.479 10.417 -2.580 1.00 . A A . 13 GLU CA 1 1 1 185 1 1 13 GLU CB C -7.548 11.368 -1.382 1.00 . A A . 13 GLU CB 1 1 1 186 1 1 13 GLU CD C -6.920 13.636 -0.543 1.00 . A A . 13 GLU CD 1 1 1 187 1 1 13 GLU CG C -6.944 12.719 -1.766 1.00 . A A . 13 GLU CG 1 1 1 188 1 1 13 GLU H H -9.522 9.899 -2.155 1.00 . A A . 13 GLU H 1 1 1 189 1 1 13 GLU HA H -7.149 10.955 -3.457 1.00 . A A . 13 GLU HA 1 1 1 190 1 1 13 GLU HB2 H -8.580 11.503 -1.090 1.00 . A A . 13 GLU HB2 1 1 1 191 1 1 13 GLU HB3 H -6.992 10.948 -0.557 1.00 . A A . 13 GLU HB3 1 1 1 192 1 1 13 GLU HG2 H -5.936 12.571 -2.126 1.00 . A A . 13 GLU HG2 1 1 1 193 1 1 13 GLU HG3 H -7.540 13.172 -2.542 1.00 . A A . 13 GLU HG3 1 1 1 194 1 1 13 GLU N N -8.817 9.821 -2.829 1.00 . A A . 13 GLU N 1 1 1 195 1 1 13 GLU O O -5.371 9.280 -2.689 1.00 . A A . 13 GLU O 1 1 1 196 1 1 13 GLU OE1 O -6.335 13.246 0.455 1.00 . A A . 13 GLU OE1 1 1 1 197 1 1 13 GLU OE2 O -7.489 14.712 -0.622 1.00 . A A . 13 GLU OE2 1 1 1 198 1 1 14 ILE C C -5.802 6.355 -2.573 1.00 . A A . 14 ILE C 1 1 1 199 1 1 14 ILE CA C -6.132 7.100 -1.270 1.00 . A A . 14 ILE CA 1 1 1 200 1 1 14 ILE CB C -6.896 6.174 -0.315 1.00 . A A . 14 ILE CB 1 1 1 201 1 1 14 ILE CD1 C -7.324 5.968 2.135 1.00 . A A . 14 ILE CD1 1 1 1 202 1 1 14 ILE CG1 C -6.252 6.218 1.072 1.00 . A A . 14 ILE CG1 1 1 1 203 1 1 14 ILE CG2 C -6.877 4.735 -0.835 1.00 . A A . 14 ILE CG2 1 1 1 204 1 1 14 ILE H H -7.923 8.291 -1.283 1.00 . A A . 14 ILE H 1 1 1 205 1 1 14 ILE HA H -5.218 7.432 -0.799 1.00 . A A . 14 ILE HA 1 1 1 206 1 1 14 ILE HB H -7.918 6.510 -0.242 1.00 . A A . 14 ILE HB 1 1 1 207 1 1 14 ILE HD11 H -8.171 5.474 1.683 1.00 . A A . 14 ILE HD11 1 1 1 208 1 1 14 ILE HD12 H -6.918 5.343 2.916 1.00 . A A . 14 ILE HD12 1 1 1 209 1 1 14 ILE HD13 H -7.639 6.911 2.557 1.00 . A A . 14 ILE HD13 1 1 1 210 1 1 14 ILE HG12 H -5.490 5.453 1.139 1.00 . A A . 14 ILE HG12 1 1 1 211 1 1 14 ILE HG13 H -5.806 7.187 1.233 1.00 . A A . 14 ILE HG13 1 1 1 212 1 1 14 ILE HG21 H -5.857 4.423 -1.006 1.00 . A A . 14 ILE HG21 1 1 1 213 1 1 14 ILE HG22 H -7.331 4.083 -0.103 1.00 . A A . 14 ILE HG22 1 1 1 214 1 1 14 ILE HG23 H -7.434 4.676 -1.759 1.00 . A A . 14 ILE HG23 1 1 1 215 1 1 14 ILE N N -6.989 8.276 -1.584 1.00 . A A . 14 ILE N 1 1 1 216 1 1 14 ILE O O -4.867 5.580 -2.635 1.00 . A A . 14 ILE O 1 1 1 217 1 1 15 ILE C C -5.133 6.614 -5.609 1.00 . A A . 15 ILE C 1 1 1 218 1 1 15 ILE CA C -6.286 5.902 -4.910 1.00 . A A . 15 ILE CA 1 1 1 219 1 1 15 ILE CB C -7.532 5.969 -5.796 1.00 . A A . 15 ILE CB 1 1 1 220 1 1 15 ILE CD1 C -9.930 5.335 -5.522 1.00 . A A . 15 ILE CD1 1 1 1 221 1 1 15 ILE CG1 C -8.487 4.831 -5.432 1.00 . A A . 15 ILE CG1 1 1 1 222 1 1 15 ILE CG2 C -7.124 5.839 -7.264 1.00 . A A . 15 ILE CG2 1 1 1 223 1 1 15 ILE H H -7.300 7.219 -3.560 1.00 . A A . 15 ILE H 1 1 1 224 1 1 15 ILE HA H -6.023 4.871 -4.728 1.00 . A A . 15 ILE HA 1 1 1 225 1 1 15 ILE HB H -8.027 6.918 -5.646 1.00 . A A . 15 ILE HB 1 1 1 226 1 1 15 ILE HD11 H -9.952 6.260 -6.078 1.00 . A A . 15 ILE HD11 1 1 1 227 1 1 15 ILE HD12 H -10.539 4.600 -6.025 1.00 . A A . 15 ILE HD12 1 1 1 228 1 1 15 ILE HD13 H -10.315 5.503 -4.527 1.00 . A A . 15 ILE HD13 1 1 1 229 1 1 15 ILE HG12 H -8.348 4.009 -6.122 1.00 . A A . 15 ILE HG12 1 1 1 230 1 1 15 ILE HG13 H -8.286 4.496 -4.427 1.00 . A A . 15 ILE HG13 1 1 1 231 1 1 15 ILE HG21 H -6.295 5.152 -7.347 1.00 . A A . 15 ILE HG21 1 1 1 232 1 1 15 ILE HG22 H -7.959 5.466 -7.838 1.00 . A A . 15 ILE HG22 1 1 1 233 1 1 15 ILE HG23 H -6.830 6.806 -7.643 1.00 . A A . 15 ILE HG23 1 1 1 234 1 1 15 ILE N N -6.558 6.588 -3.619 1.00 . A A . 15 ILE N 1 1 1 235 1 1 15 ILE O O -4.182 5.997 -6.039 1.00 . A A . 15 ILE O 1 1 1 236 1 1 16 LYS C C -2.807 8.412 -5.612 1.00 . A A . 16 LYS C 1 1 1 237 1 1 16 LYS CA C -4.106 8.667 -6.377 1.00 . A A . 16 LYS CA 1 1 1 238 1 1 16 LYS CB C -4.429 10.162 -6.362 1.00 . A A . 16 LYS CB 1 1 1 239 1 1 16 LYS CD C -5.376 12.048 -7.709 1.00 . A A . 16 LYS CD 1 1 1 240 1 1 16 LYS CE C -6.538 12.165 -6.723 1.00 . A A . 16 LYS CE 1 1 1 241 1 1 16 LYS CG C -4.887 10.598 -7.757 1.00 . A A . 16 LYS CG 1 1 1 242 1 1 16 LYS H H -5.983 8.393 -5.355 1.00 . A A . 16 LYS H 1 1 1 243 1 1 16 LYS HA H -3.998 8.328 -7.396 1.00 . A A . 16 LYS HA 1 1 1 244 1 1 16 LYS HB2 H -5.217 10.351 -5.647 1.00 . A A . 16 LYS HB2 1 1 1 245 1 1 16 LYS HB3 H -3.547 10.719 -6.083 1.00 . A A . 16 LYS HB3 1 1 1 246 1 1 16 LYS HD2 H -4.567 12.690 -7.392 1.00 . A A . 16 LYS HD2 1 1 1 247 1 1 16 LYS HD3 H -5.709 12.347 -8.692 1.00 . A A . 16 LYS HD3 1 1 1 248 1 1 16 LYS HE2 H -7.127 11.260 -6.750 1.00 . A A . 16 LYS HE2 1 1 1 249 1 1 16 LYS HE3 H -6.150 12.312 -5.725 1.00 . A A . 16 LYS HE3 1 1 1 250 1 1 16 LYS HG2 H -4.058 10.519 -8.446 1.00 . A A . 16 LYS HG2 1 1 1 251 1 1 16 LYS HG3 H -5.691 9.959 -8.087 1.00 . A A . 16 LYS HG3 1 1 1 252 1 1 16 LYS HZ1 H -6.808 14.055 -7.553 1.00 . A A . 16 LYS HZ1 1 1 1 253 1 1 16 LYS HZ2 H -8.133 13.012 -7.760 1.00 . A A . 16 LYS HZ2 1 1 1 254 1 1 16 LYS HZ3 H -7.841 13.718 -6.246 1.00 . A A . 16 LYS HZ3 1 1 1 255 1 1 16 LYS N N -5.206 7.913 -5.716 1.00 . A A . 16 LYS N 1 1 1 256 1 1 16 LYS NZ N -7.395 13.325 -7.099 1.00 . A A . 16 LYS NZ 1 1 1 257 1 1 16 LYS O O -1.735 8.360 -6.183 1.00 . A A . 16 LYS O 1 1 1 258 1 1 17 THR C C -1.175 6.563 -3.843 1.00 . A A . 17 THR C 1 1 1 259 1 1 17 THR CA C -1.682 7.968 -3.511 1.00 . A A . 17 THR CA 1 1 1 260 1 1 17 THR CB C -2.041 8.051 -2.023 1.00 . A A . 17 THR CB 1 1 1 261 1 1 17 THR CG2 C -0.770 7.974 -1.175 1.00 . A A . 17 THR CG2 1 1 1 262 1 1 17 THR H H -3.777 8.273 -3.889 1.00 . A A . 17 THR H 1 1 1 263 1 1 17 THR HA H -0.919 8.695 -3.745 1.00 . A A . 17 THR HA 1 1 1 264 1 1 17 THR HB H -2.691 7.231 -1.763 1.00 . A A . 17 THR HB 1 1 1 265 1 1 17 THR HG1 H -2.825 9.363 -0.820 1.00 . A A . 17 THR HG1 1 1 1 266 1 1 17 THR HG21 H -0.044 7.347 -1.670 1.00 . A A . 17 THR HG21 1 1 1 267 1 1 17 THR HG22 H -0.363 8.966 -1.045 1.00 . A A . 17 THR HG22 1 1 1 268 1 1 17 THR HG23 H -1.008 7.554 -0.208 1.00 . A A . 17 THR HG23 1 1 1 269 1 1 17 THR N N -2.901 8.237 -4.323 1.00 . A A . 17 THR N 1 1 1 270 1 1 17 THR O O 0.014 6.315 -3.926 1.00 . A A . 17 THR O 1 1 1 271 1 1 17 THR OG1 O -2.706 9.281 -1.768 1.00 . A A . 17 THR OG1 1 1 1 272 1 1 18 LEU C C -0.963 4.259 -5.739 1.00 . A A . 18 LEU C 1 1 1 273 1 1 18 LEU CA C -1.682 4.251 -4.387 1.00 . A A . 18 LEU CA 1 1 1 274 1 1 18 LEU CB C -2.954 3.388 -4.462 1.00 . A A . 18 LEU CB 1 1 1 275 1 1 18 LEU CD1 C -1.942 1.450 -5.706 1.00 . A A . 18 LEU CD1 1 1 1 276 1 1 18 LEU CD2 C -1.729 1.571 -3.218 1.00 . A A . 18 LEU CD2 1 1 1 277 1 1 18 LEU CG C -2.632 1.884 -4.413 1.00 . A A . 18 LEU CG 1 1 1 278 1 1 18 LEU H H -3.030 5.876 -3.980 1.00 . A A . 18 LEU H 1 1 1 279 1 1 18 LEU HA H -1.018 3.873 -3.627 1.00 . A A . 18 LEU HA 1 1 1 280 1 1 18 LEU HB2 H -3.594 3.637 -3.628 1.00 . A A . 18 LEU HB2 1 1 1 281 1 1 18 LEU HB3 H -3.475 3.608 -5.382 1.00 . A A . 18 LEU HB3 1 1 1 282 1 1 18 LEU HD11 H -2.151 2.170 -6.484 1.00 . A A . 18 LEU HD11 1 1 1 283 1 1 18 LEU HD12 H -0.876 1.394 -5.544 1.00 . A A . 18 LEU HD12 1 1 1 284 1 1 18 LEU HD13 H -2.312 0.481 -6.004 1.00 . A A . 18 LEU HD13 1 1 1 285 1 1 18 LEU HD21 H -1.738 2.403 -2.534 1.00 . A A . 18 LEU HD21 1 1 1 286 1 1 18 LEU HD22 H -2.092 0.688 -2.713 1.00 . A A . 18 LEU HD22 1 1 1 287 1 1 18 LEU HD23 H -0.721 1.399 -3.563 1.00 . A A . 18 LEU HD23 1 1 1 288 1 1 18 LEU HG H -3.555 1.333 -4.310 1.00 . A A . 18 LEU HG 1 1 1 289 1 1 18 LEU N N -2.080 5.645 -4.046 1.00 . A A . 18 LEU N 1 1 1 290 1 1 18 LEU O O -0.091 3.452 -5.994 1.00 . A A . 18 LEU O 1 1 1 291 1 1 19 ASN C C 0.696 5.974 -7.772 1.00 . A A . 19 ASN C 1 1 1 292 1 1 19 ASN CA C -0.641 5.243 -7.927 1.00 . A A . 19 ASN CA 1 1 1 293 1 1 19 ASN CB C -1.531 6.002 -8.914 1.00 . A A . 19 ASN CB 1 1 1 294 1 1 19 ASN CG C -1.361 5.418 -10.320 1.00 . A A . 19 ASN CG 1 1 1 295 1 1 19 ASN H H -2.008 5.822 -6.373 1.00 . A A . 19 ASN H 1 1 1 296 1 1 19 ASN HA H -0.465 4.243 -8.293 1.00 . A A . 19 ASN HA 1 1 1 297 1 1 19 ASN HB2 H -2.564 5.910 -8.610 1.00 . A A . 19 ASN HB2 1 1 1 298 1 1 19 ASN HB3 H -1.251 7.045 -8.924 1.00 . A A . 19 ASN HB3 1 1 1 299 1 1 19 ASN HD21 H -2.479 6.811 -11.188 1.00 . A A . 19 ASN HD21 1 1 1 300 1 1 19 ASN HD22 H -1.838 5.639 -12.235 1.00 . A A . 19 ASN HD22 1 1 1 301 1 1 19 ASN N N -1.312 5.174 -6.602 1.00 . A A . 19 ASN N 1 1 1 302 1 1 19 ASN ND2 N -1.941 6.005 -11.332 1.00 . A A . 19 ASN ND2 1 1 1 303 1 1 19 ASN O O 1.619 5.765 -8.534 1.00 . A A . 19 ASN O 1 1 1 304 1 1 19 ASN OD1 O -0.694 4.418 -10.500 1.00 . A A . 19 ASN OD1 1 1 1 305 1 1 20 SER C C 3.189 6.565 -6.220 1.00 . A A . 20 SER C 1 1 1 306 1 1 20 SER CA C 2.087 7.563 -6.581 1.00 . A A . 20 SER CA 1 1 1 307 1 1 20 SER CB C 1.917 8.575 -5.448 1.00 . A A . 20 SER CB 1 1 1 308 1 1 20 SER H H 0.056 6.983 -6.181 1.00 . A A . 20 SER H 1 1 1 309 1 1 20 SER HA H 2.355 8.081 -7.491 1.00 . A A . 20 SER HA 1 1 1 310 1 1 20 SER HB2 H 1.081 8.290 -4.831 1.00 . A A . 20 SER HB2 1 1 1 311 1 1 20 SER HB3 H 2.816 8.594 -4.846 1.00 . A A . 20 SER HB3 1 1 1 312 1 1 20 SER HG H 2.500 10.191 -6.362 1.00 . A A . 20 SER HG 1 1 1 313 1 1 20 SER N N 0.810 6.828 -6.788 1.00 . A A . 20 SER N 1 1 1 314 1 1 20 SER O O 4.304 6.661 -6.692 1.00 . A A . 20 SER O 1 1 1 315 1 1 20 SER OG O 1.674 9.862 -6.000 1.00 . A A . 20 SER OG 1 1 1 316 1 1 21 LEU C C 4.237 3.694 -6.224 1.00 . A A . 21 LEU C 1 1 1 317 1 1 21 LEU CA C 3.918 4.590 -5.014 1.00 . A A . 21 LEU CA 1 1 1 318 1 1 21 LEU CB C 3.398 3.726 -3.858 1.00 . A A . 21 LEU CB 1 1 1 319 1 1 21 LEU CD1 C 1.920 4.275 -1.911 1.00 . A A . 21 LEU CD1 1 1 1 320 1 1 21 LEU CD2 C 4.404 4.303 -1.639 1.00 . A A . 21 LEU CD2 1 1 1 321 1 1 21 LEU CG C 3.248 4.592 -2.603 1.00 . A A . 21 LEU CG 1 1 1 322 1 1 21 LEU H H 1.976 5.536 -5.024 1.00 . A A . 21 LEU H 1 1 1 323 1 1 21 LEU HA H 4.818 5.100 -4.702 1.00 . A A . 21 LEU HA 1 1 1 324 1 1 21 LEU HB2 H 2.440 3.306 -4.126 1.00 . A A . 21 LEU HB2 1 1 1 325 1 1 21 LEU HB3 H 4.098 2.927 -3.662 1.00 . A A . 21 LEU HB3 1 1 1 326 1 1 21 LEU HD11 H 1.274 3.741 -2.591 1.00 . A A . 21 LEU HD11 1 1 1 327 1 1 21 LEU HD12 H 2.106 3.664 -1.039 1.00 . A A . 21 LEU HD12 1 1 1 328 1 1 21 LEU HD13 H 1.443 5.196 -1.608 1.00 . A A . 21 LEU HD13 1 1 1 329 1 1 21 LEU HD21 H 4.864 3.360 -1.897 1.00 . A A . 21 LEU HD21 1 1 1 330 1 1 21 LEU HD22 H 5.138 5.092 -1.709 1.00 . A A . 21 LEU HD22 1 1 1 331 1 1 21 LEU HD23 H 4.025 4.253 -0.629 1.00 . A A . 21 LEU HD23 1 1 1 332 1 1 21 LEU HG H 3.266 5.635 -2.884 1.00 . A A . 21 LEU HG 1 1 1 333 1 1 21 LEU N N 2.885 5.600 -5.391 1.00 . A A . 21 LEU N 1 1 1 334 1 1 21 LEU O O 5.234 3.000 -6.244 1.00 . A A . 21 LEU O 1 1 1 335 1 1 22 THR C C 4.732 3.495 -9.327 1.00 . A A . 22 THR C 1 1 1 336 1 1 22 THR CA C 3.650 2.858 -8.435 1.00 . A A . 22 THR CA 1 1 1 337 1 1 22 THR CB C 2.346 2.740 -9.231 1.00 . A A . 22 THR CB 1 1 1 338 1 1 22 THR CG2 C 2.313 1.414 -9.989 1.00 . A A . 22 THR CG2 1 1 1 339 1 1 22 THR H H 2.603 4.267 -7.199 1.00 . A A . 22 THR H 1 1 1 340 1 1 22 THR HA H 3.971 1.876 -8.125 1.00 . A A . 22 THR HA 1 1 1 341 1 1 22 THR HB H 2.279 3.554 -9.935 1.00 . A A . 22 THR HB 1 1 1 342 1 1 22 THR HG1 H 0.688 2.034 -8.501 1.00 . A A . 22 THR HG1 1 1 1 343 1 1 22 THR HG21 H 3.152 1.367 -10.667 1.00 . A A . 22 THR HG21 1 1 1 344 1 1 22 THR HG22 H 2.370 0.596 -9.287 1.00 . A A . 22 THR HG22 1 1 1 345 1 1 22 THR HG23 H 1.394 1.342 -10.550 1.00 . A A . 22 THR HG23 1 1 1 346 1 1 22 THR N N 3.400 3.704 -7.231 1.00 . A A . 22 THR N 1 1 1 347 1 1 22 THR O O 5.113 2.938 -10.337 1.00 . A A . 22 THR O 1 1 1 348 1 1 22 THR OG1 O 1.245 2.799 -8.335 1.00 . A A . 22 THR OG1 1 1 1 349 1 1 23 GLU C C 7.597 4.564 -9.696 1.00 . A A . 23 GLU C 1 1 1 350 1 1 23 GLU CA C 6.268 5.315 -9.819 1.00 . A A . 23 GLU CA 1 1 1 351 1 1 23 GLU CB C 6.454 6.760 -9.347 1.00 . A A . 23 GLU CB 1 1 1 352 1 1 23 GLU CD C 6.526 9.025 -10.397 1.00 . A A . 23 GLU CD 1 1 1 353 1 1 23 GLU CG C 7.066 7.595 -10.473 1.00 . A A . 23 GLU CG 1 1 1 354 1 1 23 GLU H H 4.909 5.104 -8.168 1.00 . A A . 23 GLU H 1 1 1 355 1 1 23 GLU HA H 5.951 5.315 -10.849 1.00 . A A . 23 GLU HA 1 1 1 356 1 1 23 GLU HB2 H 5.493 7.173 -9.072 1.00 . A A . 23 GLU HB2 1 1 1 357 1 1 23 GLU HB3 H 7.111 6.776 -8.490 1.00 . A A . 23 GLU HB3 1 1 1 358 1 1 23 GLU HG2 H 8.141 7.608 -10.366 1.00 . A A . 23 GLU HG2 1 1 1 359 1 1 23 GLU HG3 H 6.803 7.163 -11.426 1.00 . A A . 23 GLU HG3 1 1 1 360 1 1 23 GLU N N 5.225 4.658 -8.977 1.00 . A A . 23 GLU N 1 1 1 361 1 1 23 GLU O O 8.164 4.119 -10.674 1.00 . A A . 23 GLU O 1 1 1 362 1 1 23 GLU OE1 O 5.343 9.204 -10.635 1.00 . A A . 23 GLU OE1 1 1 1 363 1 1 23 GLU OE2 O 7.305 9.916 -10.103 1.00 . A A . 23 GLU OE2 1 1 1 364 1 1 24 GLN C C 9.097 2.302 -7.764 1.00 . A A . 24 GLN C 1 1 1 365 1 1 24 GLN CA C 9.389 3.699 -8.305 1.00 . A A . 24 GLN CA 1 1 1 366 1 1 24 GLN CB C 10.263 4.473 -7.317 1.00 . A A . 24 GLN CB 1 1 1 367 1 1 24 GLN CD C 12.629 5.046 -6.742 1.00 . A A . 24 GLN CD 1 1 1 368 1 1 24 GLN CG C 11.705 4.492 -7.827 1.00 . A A . 24 GLN CG 1 1 1 369 1 1 24 GLN H H 7.618 4.785 -7.729 1.00 . A A . 24 GLN H 1 1 1 370 1 1 24 GLN HA H 9.908 3.612 -9.250 1.00 . A A . 24 GLN HA 1 1 1 371 1 1 24 GLN HB2 H 9.897 5.486 -7.235 1.00 . A A . 24 GLN HB2 1 1 1 372 1 1 24 GLN HB3 H 10.231 3.997 -6.351 1.00 . A A . 24 GLN HB3 1 1 1 373 1 1 24 GLN HE21 H 12.058 6.928 -7.021 1.00 . A A . 24 GLN HE21 1 1 1 374 1 1 24 GLN HE22 H 13.225 6.695 -5.810 1.00 . A A . 24 GLN HE22 1 1 1 375 1 1 24 GLN HG2 H 12.009 3.486 -8.081 1.00 . A A . 24 GLN HG2 1 1 1 376 1 1 24 GLN HG3 H 11.768 5.119 -8.704 1.00 . A A . 24 GLN HG3 1 1 1 377 1 1 24 GLN N N 8.096 4.420 -8.500 1.00 . A A . 24 GLN N 1 1 1 378 1 1 24 GLN NE2 N 12.638 6.330 -6.505 1.00 . A A . 24 GLN NE2 1 1 1 379 1 1 24 GLN O O 9.358 1.988 -6.620 1.00 . A A . 24 GLN O 1 1 1 380 1 1 24 GLN OE1 O 13.346 4.304 -6.101 1.00 . A A . 24 GLN OE1 1 1 1 381 1 1 25 LYS C C 9.020 -0.934 -8.946 1.00 . A A . 25 LYS C 1 1 1 382 1 1 25 LYS CA C 8.210 0.086 -8.142 1.00 . A A . 25 LYS CA 1 1 1 383 1 1 25 LYS CB C 6.721 -0.166 -8.364 1.00 . A A . 25 LYS CB 1 1 1 384 1 1 25 LYS CD C 4.930 -0.306 -10.090 1.00 . A A . 25 LYS CD 1 1 1 385 1 1 25 LYS CE C 4.841 -1.833 -10.088 1.00 . A A . 25 LYS CE 1 1 1 386 1 1 25 LYS CG C 6.373 0.121 -9.823 1.00 . A A . 25 LYS CG 1 1 1 387 1 1 25 LYS H H 8.334 1.750 -9.500 1.00 . A A . 25 LYS H 1 1 1 388 1 1 25 LYS HA H 8.440 -0.019 -7.093 1.00 . A A . 25 LYS HA 1 1 1 389 1 1 25 LYS HB2 H 6.489 -1.195 -8.134 1.00 . A A . 25 LYS HB2 1 1 1 390 1 1 25 LYS HB3 H 6.145 0.486 -7.723 1.00 . A A . 25 LYS HB3 1 1 1 391 1 1 25 LYS HD2 H 4.292 0.088 -9.314 1.00 . A A . 25 LYS HD2 1 1 1 392 1 1 25 LYS HD3 H 4.610 0.072 -11.050 1.00 . A A . 25 LYS HD3 1 1 1 393 1 1 25 LYS HE2 H 4.718 -2.190 -11.101 1.00 . A A . 25 LYS HE2 1 1 1 394 1 1 25 LYS HE3 H 5.747 -2.243 -9.669 1.00 . A A . 25 LYS HE3 1 1 1 395 1 1 25 LYS HG2 H 6.482 1.180 -10.018 1.00 . A A . 25 LYS HG2 1 1 1 396 1 1 25 LYS HG3 H 7.037 -0.434 -10.467 1.00 . A A . 25 LYS HG3 1 1 1 397 1 1 25 LYS HZ1 H 2.864 -1.636 -9.457 1.00 . A A . 25 LYS HZ1 1 1 1 398 1 1 25 LYS HZ2 H 3.420 -3.239 -9.492 1.00 . A A . 25 LYS HZ2 1 1 1 399 1 1 25 LYS HZ3 H 3.925 -2.193 -8.253 1.00 . A A . 25 LYS HZ3 1 1 1 400 1 1 25 LYS N N 8.542 1.465 -8.589 1.00 . A A . 25 LYS N 1 1 1 401 1 1 25 LYS NZ N 3.674 -2.257 -9.261 1.00 . A A . 25 LYS NZ 1 1 1 402 1 1 25 LYS O O 8.478 -1.859 -9.518 1.00 . A A . 25 LYS O 1 1 1 403 1 1 26 THR C C 12.390 -2.102 -8.918 1.00 . A A . 26 THR C 1 1 1 404 1 1 26 THR CA C 11.153 -1.753 -9.747 1.00 . A A . 26 THR CA 1 1 1 405 1 1 26 THR CB C 11.590 -1.125 -11.073 1.00 . A A . 26 THR CB 1 1 1 406 1 1 26 THR CG2 C 11.214 -2.054 -12.229 1.00 . A A . 26 THR CG2 1 1 1 407 1 1 26 THR H H 10.734 -0.035 -8.515 1.00 . A A . 26 THR H 1 1 1 408 1 1 26 THR HA H 10.583 -2.649 -9.942 1.00 . A A . 26 THR HA 1 1 1 409 1 1 26 THR HB H 12.659 -0.978 -11.069 1.00 . A A . 26 THR HB 1 1 1 410 1 1 26 THR HG1 H 10.920 0.329 -12.178 1.00 . A A . 26 THR HG1 1 1 1 411 1 1 26 THR HG21 H 11.570 -3.052 -12.018 1.00 . A A . 26 THR HG21 1 1 1 412 1 1 26 THR HG22 H 10.141 -2.071 -12.344 1.00 . A A . 26 THR HG22 1 1 1 413 1 1 26 THR HG23 H 11.668 -1.696 -13.141 1.00 . A A . 26 THR HG23 1 1 1 414 1 1 26 THR N N 10.313 -0.782 -8.987 1.00 . A A . 26 THR N 1 1 1 415 1 1 26 THR O O 12.758 -3.252 -8.780 1.00 . A A . 26 THR O 1 1 1 416 1 1 26 THR OG1 O 10.939 0.127 -11.239 1.00 . A A . 26 THR OG1 1 1 1 417 1 1 27 LEU C C 13.848 -1.556 -6.084 1.00 . A A . 27 LEU C 1 1 1 418 1 1 27 LEU CA C 14.250 -1.361 -7.547 1.00 . A A . 27 LEU CA 1 1 1 419 1 1 27 LEU CB C 15.175 -0.150 -7.665 1.00 . A A . 27 LEU CB 1 1 1 420 1 1 27 LEU CD1 C 17.018 -0.382 -9.335 1.00 . A A . 27 LEU CD1 1 1 1 421 1 1 27 LEU CD2 C 17.554 0.172 -6.959 1.00 . A A . 27 LEU CD2 1 1 1 422 1 1 27 LEU CG C 16.616 -0.618 -7.877 1.00 . A A . 27 LEU CG 1 1 1 423 1 1 27 LEU H H 12.716 -0.193 -8.499 1.00 . A A . 27 LEU H 1 1 1 424 1 1 27 LEU HA H 14.757 -2.252 -7.902 1.00 . A A . 27 LEU HA 1 1 1 425 1 1 27 LEU HB2 H 14.863 0.455 -8.508 1.00 . A A . 27 LEU HB2 1 1 1 426 1 1 27 LEU HB3 H 15.114 0.438 -6.761 1.00 . A A . 27 LEU HB3 1 1 1 427 1 1 27 LEU HD11 H 16.234 -0.738 -9.988 1.00 . A A . 27 LEU HD11 1 1 1 428 1 1 27 LEU HD12 H 17.170 0.675 -9.499 1.00 . A A . 27 LEU HD12 1 1 1 429 1 1 27 LEU HD13 H 17.933 -0.914 -9.548 1.00 . A A . 27 LEU HD13 1 1 1 430 1 1 27 LEU HD21 H 16.999 0.952 -6.459 1.00 . A A . 27 LEU HD21 1 1 1 431 1 1 27 LEU HD22 H 17.982 -0.494 -6.224 1.00 . A A . 27 LEU HD22 1 1 1 432 1 1 27 LEU HD23 H 18.345 0.612 -7.547 1.00 . A A . 27 LEU HD23 1 1 1 433 1 1 27 LEU HG H 16.688 -1.673 -7.650 1.00 . A A . 27 LEU HG 1 1 1 434 1 1 27 LEU N N 13.033 -1.111 -8.369 1.00 . A A . 27 LEU N 1 1 1 435 1 1 27 LEU O O 14.493 -2.268 -5.342 1.00 . A A . 27 LEU O 1 1 1 436 1 1 28 CYS C C 11.354 -2.269 -4.166 1.00 . A A . 28 CYS C 1 1 1 437 1 1 28 CYS CA C 12.348 -1.102 -4.254 1.00 . A A . 28 CYS CA 1 1 1 438 1 1 28 CYS CB C 11.685 0.185 -3.758 1.00 . A A . 28 CYS CB 1 1 1 439 1 1 28 CYS H H 12.277 -0.362 -6.274 1.00 . A A . 28 CYS H 1 1 1 440 1 1 28 CYS HA H 13.207 -1.321 -3.636 1.00 . A A . 28 CYS HA 1 1 1 441 1 1 28 CYS HB2 H 11.874 0.981 -4.462 1.00 . A A . 28 CYS HB2 1 1 1 442 1 1 28 CYS HB3 H 10.620 0.029 -3.666 1.00 . A A . 28 CYS HB3 1 1 1 443 1 1 28 CYS N N 12.788 -0.933 -5.663 1.00 . A A . 28 CYS N 1 1 1 444 1 1 28 CYS O O 11.099 -2.795 -3.101 1.00 . A A . 28 CYS O 1 1 1 445 1 1 28 CYS SG S 12.373 0.629 -2.141 1.00 . A A . 28 CYS SG 1 1 1 446 1 1 29 THR C C 10.539 -5.152 -5.409 1.00 . A A . 29 THR C 1 1 1 447 1 1 29 THR CA C 9.818 -3.812 -5.238 1.00 . A A . 29 THR CA 1 1 1 448 1 1 29 THR CB C 8.788 -3.647 -6.352 1.00 . A A . 29 THR CB 1 1 1 449 1 1 29 THR CG2 C 7.759 -2.597 -5.934 1.00 . A A . 29 THR CG2 1 1 1 450 1 1 29 THR H H 10.999 -2.253 -6.129 1.00 . A A . 29 THR H 1 1 1 451 1 1 29 THR HA H 9.311 -3.808 -4.286 1.00 . A A . 29 THR HA 1 1 1 452 1 1 29 THR HB H 8.287 -4.587 -6.523 1.00 . A A . 29 THR HB 1 1 1 453 1 1 29 THR HG1 H 9.882 -4.002 -7.920 1.00 . A A . 29 THR HG1 1 1 1 454 1 1 29 THR HG21 H 8.073 -2.134 -5.010 1.00 . A A . 29 THR HG21 1 1 1 455 1 1 29 THR HG22 H 7.681 -1.847 -6.702 1.00 . A A . 29 THR HG22 1 1 1 456 1 1 29 THR HG23 H 6.800 -3.070 -5.791 1.00 . A A . 29 THR HG23 1 1 1 457 1 1 29 THR N N 10.788 -2.683 -5.276 1.00 . A A . 29 THR N 1 1 1 458 1 1 29 THR O O 9.911 -6.178 -5.572 1.00 . A A . 29 THR O 1 1 1 459 1 1 29 THR OG1 O 9.444 -3.236 -7.542 1.00 . A A . 29 THR OG1 1 1 1 460 1 1 30 GLU C C 12.851 -7.000 -4.069 1.00 . A A . 30 GLU C 1 1 1 461 1 1 30 GLU CA C 12.565 -6.467 -5.480 1.00 . A A . 30 GLU CA 1 1 1 462 1 1 30 GLU CB C 13.870 -6.279 -6.276 1.00 . A A . 30 GLU CB 1 1 1 463 1 1 30 GLU CD C 16.096 -5.164 -6.131 1.00 . A A . 30 GLU CD 1 1 1 464 1 1 30 GLU CG C 14.604 -5.023 -5.818 1.00 . A A . 30 GLU CG 1 1 1 465 1 1 30 GLU H H 12.342 -4.342 -5.193 1.00 . A A . 30 GLU H 1 1 1 466 1 1 30 GLU HA H 11.927 -7.170 -5.999 1.00 . A A . 30 GLU HA 1 1 1 467 1 1 30 GLU HB2 H 14.509 -7.134 -6.129 1.00 . A A . 30 GLU HB2 1 1 1 468 1 1 30 GLU HB3 H 13.635 -6.184 -7.327 1.00 . A A . 30 GLU HB3 1 1 1 469 1 1 30 GLU HG2 H 14.204 -4.173 -6.348 1.00 . A A . 30 GLU HG2 1 1 1 470 1 1 30 GLU HG3 H 14.468 -4.888 -4.757 1.00 . A A . 30 GLU HG3 1 1 1 471 1 1 30 GLU N N 11.844 -5.169 -5.348 1.00 . A A . 30 GLU N 1 1 1 472 1 1 30 GLU O O 13.934 -7.455 -3.762 1.00 . A A . 30 GLU O 1 1 1 473 1 1 30 GLU OE1 O 16.412 -5.572 -7.237 1.00 . A A . 30 GLU OE1 1 1 1 474 1 1 30 GLU OE2 O 16.894 -4.860 -5.260 1.00 . A A . 30 GLU OE2 1 1 1 475 1 1 31 LEU C C 10.717 -8.229 -1.504 1.00 . A A . 31 LEU C 1 1 1 476 1 1 31 LEU CA C 11.982 -7.428 -1.814 1.00 . A A . 31 LEU CA 1 1 1 477 1 1 31 LEU CB C 12.069 -6.244 -0.839 1.00 . A A . 31 LEU CB 1 1 1 478 1 1 31 LEU CD1 C 12.662 -3.820 -0.916 1.00 . A A . 31 LEU CD1 1 1 1 479 1 1 31 LEU CD2 C 14.456 -5.531 -0.624 1.00 . A A . 31 LEU CD2 1 1 1 480 1 1 31 LEU CG C 13.118 -5.227 -1.302 1.00 . A A . 31 LEU CG 1 1 1 481 1 1 31 LEU H H 10.998 -6.582 -3.504 1.00 . A A . 31 LEU H 1 1 1 482 1 1 31 LEU HA H 12.855 -8.059 -1.718 1.00 . A A . 31 LEU HA 1 1 1 483 1 1 31 LEU HB2 H 11.105 -5.760 -0.783 1.00 . A A . 31 LEU HB2 1 1 1 484 1 1 31 LEU HB3 H 12.338 -6.611 0.141 1.00 . A A . 31 LEU HB3 1 1 1 485 1 1 31 LEU HD11 H 11.600 -3.725 -1.090 1.00 . A A . 31 LEU HD11 1 1 1 486 1 1 31 LEU HD12 H 12.873 -3.647 0.128 1.00 . A A . 31 LEU HD12 1 1 1 487 1 1 31 LEU HD13 H 13.190 -3.092 -1.516 1.00 . A A . 31 LEU HD13 1 1 1 488 1 1 31 LEU HD21 H 14.303 -6.243 0.173 1.00 . A A . 31 LEU HD21 1 1 1 489 1 1 31 LEU HD22 H 15.142 -5.944 -1.349 1.00 . A A . 31 LEU HD22 1 1 1 490 1 1 31 LEU HD23 H 14.868 -4.619 -0.218 1.00 . A A . 31 LEU HD23 1 1 1 491 1 1 31 LEU HG H 13.234 -5.280 -2.372 1.00 . A A . 31 LEU HG 1 1 1 492 1 1 31 LEU N N 11.853 -6.942 -3.214 1.00 . A A . 31 LEU N 1 1 1 493 1 1 31 LEU O O 9.697 -7.673 -1.149 1.00 . A A . 31 LEU O 1 1 1 494 1 1 32 THR C C 8.820 -10.013 -0.173 1.00 . A A . 32 THR C 1 1 1 495 1 1 32 THR CA C 9.576 -10.388 -1.457 1.00 . A A . 32 THR CA 1 1 1 496 1 1 32 THR CB C 10.024 -11.847 -1.364 1.00 . A A . 32 THR CB 1 1 1 497 1 1 32 THR CG2 C 10.268 -12.399 -2.769 1.00 . A A . 32 THR CG2 1 1 1 498 1 1 32 THR H H 11.604 -9.915 -2.011 1.00 . A A . 32 THR H 1 1 1 499 1 1 32 THR HA H 8.911 -10.281 -2.297 1.00 . A A . 32 THR HA 1 1 1 500 1 1 32 THR HB H 9.253 -12.430 -0.883 1.00 . A A . 32 THR HB 1 1 1 501 1 1 32 THR HG1 H 11.003 -12.289 0.257 1.00 . A A . 32 THR HG1 1 1 1 502 1 1 32 THR HG21 H 9.678 -11.842 -3.482 1.00 . A A . 32 THR HG21 1 1 1 503 1 1 32 THR HG22 H 11.315 -12.304 -3.017 1.00 . A A . 32 THR HG22 1 1 1 504 1 1 32 THR HG23 H 9.982 -13.440 -2.802 1.00 . A A . 32 THR HG23 1 1 1 505 1 1 32 THR N N 10.773 -9.517 -1.684 1.00 . A A . 32 THR N 1 1 1 506 1 1 32 THR O O 9.398 -9.851 0.884 1.00 . A A . 32 THR O 1 1 1 507 1 1 32 THR OG1 O 11.222 -11.927 -0.605 1.00 . A A . 32 THR OG1 1 1 1 508 1 1 33 VAL C C 5.624 -10.679 1.063 1.00 . A A . 33 VAL C 1 1 1 509 1 1 33 VAL CA C 6.679 -9.566 0.910 1.00 . A A . 33 VAL CA 1 1 1 510 1 1 33 VAL CB C 6.017 -8.199 0.684 1.00 . A A . 33 VAL CB 1 1 1 511 1 1 33 VAL CG1 C 7.102 -7.131 0.537 1.00 . A A . 33 VAL CG1 1 1 1 512 1 1 33 VAL CG2 C 5.169 -8.234 -0.592 1.00 . A A . 33 VAL CG2 1 1 1 513 1 1 33 VAL H H 7.086 -10.054 -1.135 1.00 . A A . 33 VAL H 1 1 1 514 1 1 33 VAL HA H 7.296 -9.531 1.797 1.00 . A A . 33 VAL HA 1 1 1 515 1 1 33 VAL HB H 5.393 -7.954 1.530 1.00 . A A . 33 VAL HB 1 1 1 516 1 1 33 VAL HG11 H 7.999 -7.456 1.044 1.00 . A A . 33 VAL HG11 1 1 1 517 1 1 33 VAL HG12 H 7.316 -6.977 -0.511 1.00 . A A . 33 VAL HG12 1 1 1 518 1 1 33 VAL HG13 H 6.758 -6.205 0.974 1.00 . A A . 33 VAL HG13 1 1 1 519 1 1 33 VAL HG21 H 4.916 -9.255 -0.833 1.00 . A A . 33 VAL HG21 1 1 1 520 1 1 33 VAL HG22 H 4.264 -7.665 -0.438 1.00 . A A . 33 VAL HG22 1 1 1 521 1 1 33 VAL HG23 H 5.730 -7.801 -1.408 1.00 . A A . 33 VAL HG23 1 1 1 522 1 1 33 VAL N N 7.519 -9.901 -0.272 1.00 . A A . 33 VAL N 1 1 1 523 1 1 33 VAL O O 5.903 -11.829 0.786 1.00 . A A . 33 VAL O 1 1 1 524 1 1 34 THR C C 2.292 -11.260 0.596 1.00 . A A . 34 THR C 1 1 1 525 1 1 34 THR CA C 3.400 -11.452 1.640 1.00 . A A . 34 THR CA 1 1 1 526 1 1 34 THR CB C 2.800 -11.386 3.053 1.00 . A A . 34 THR CB 1 1 1 527 1 1 34 THR CG2 C 1.296 -11.095 2.985 1.00 . A A . 34 THR CG2 1 1 1 528 1 1 34 THR H H 4.192 -9.452 1.716 1.00 . A A . 34 THR H 1 1 1 529 1 1 34 THR HA H 3.873 -12.418 1.491 1.00 . A A . 34 THR HA 1 1 1 530 1 1 34 THR HB H 3.283 -10.597 3.607 1.00 . A A . 34 THR HB 1 1 1 531 1 1 34 THR HG1 H 3.677 -12.489 4.392 1.00 . A A . 34 THR HG1 1 1 1 532 1 1 34 THR HG21 H 1.131 -10.155 2.481 1.00 . A A . 34 THR HG21 1 1 1 533 1 1 34 THR HG22 H 0.795 -11.886 2.449 1.00 . A A . 34 THR HG22 1 1 1 534 1 1 34 THR HG23 H 0.899 -11.037 3.987 1.00 . A A . 34 THR HG23 1 1 1 535 1 1 34 THR N N 4.423 -10.374 1.492 1.00 . A A . 34 THR N 1 1 1 536 1 1 34 THR O O 1.858 -10.155 0.333 1.00 . A A . 34 THR O 1 1 1 537 1 1 34 THR OG1 O 3.013 -12.625 3.712 1.00 . A A . 34 THR OG1 1 1 1 538 1 1 35 ASP C C -0.625 -12.287 -0.320 1.00 . A A . 35 ASP C 1 1 1 539 1 1 35 ASP CA C 0.738 -12.210 -1.013 1.00 . A A . 35 ASP CA 1 1 1 540 1 1 35 ASP CB C 0.849 -13.361 -2.016 1.00 . A A . 35 ASP CB 1 1 1 541 1 1 35 ASP CG C 0.255 -12.932 -3.360 1.00 . A A . 35 ASP CG 1 1 1 542 1 1 35 ASP H H 2.187 -13.209 0.234 1.00 . A A . 35 ASP H 1 1 1 543 1 1 35 ASP HA H 0.830 -11.268 -1.532 1.00 . A A . 35 ASP HA 1 1 1 544 1 1 35 ASP HB2 H 1.886 -13.628 -2.149 1.00 . A A . 35 ASP HB2 1 1 1 545 1 1 35 ASP HB3 H 0.304 -14.216 -1.643 1.00 . A A . 35 ASP HB3 1 1 1 546 1 1 35 ASP N N 1.825 -12.329 0.006 1.00 . A A . 35 ASP N 1 1 1 547 1 1 35 ASP O O -1.036 -13.332 0.143 1.00 . A A . 35 ASP O 1 1 1 548 1 1 35 ASP OD1 O -0.181 -11.796 -3.457 1.00 . A A . 35 ASP OD1 1 1 1 549 1 1 35 ASP OD2 O 0.245 -13.747 -4.268 1.00 . A A . 35 ASP OD2 1 1 1 550 1 1 36 ILE C C -3.783 -11.363 -0.634 1.00 . A A . 36 ILE C 1 1 1 551 1 1 36 ILE CA C -2.670 -11.229 0.417 1.00 . A A . 36 ILE CA 1 1 1 552 1 1 36 ILE CB C -2.866 -9.946 1.231 1.00 . A A . 36 ILE CB 1 1 1 553 1 1 36 ILE CD1 C -3.323 -7.492 1.100 1.00 . A A . 36 ILE CD1 1 1 1 554 1 1 36 ILE CG1 C -3.293 -8.800 0.306 1.00 . A A . 36 ILE CG1 1 1 1 555 1 1 36 ILE CG2 C -1.548 -9.578 1.919 1.00 . A A . 36 ILE CG2 1 1 1 556 1 1 36 ILE H H -0.996 -10.359 -0.628 1.00 . A A . 36 ILE H 1 1 1 557 1 1 36 ILE HA H -2.710 -12.079 1.083 1.00 . A A . 36 ILE HA 1 1 1 558 1 1 36 ILE HB H -3.628 -10.110 1.979 1.00 . A A . 36 ILE HB 1 1 1 559 1 1 36 ILE HD11 H -3.263 -7.710 2.156 1.00 . A A . 36 ILE HD11 1 1 1 560 1 1 36 ILE HD12 H -2.486 -6.875 0.811 1.00 . A A . 36 ILE HD12 1 1 1 561 1 1 36 ILE HD13 H -4.244 -6.967 0.893 1.00 . A A . 36 ILE HD13 1 1 1 562 1 1 36 ILE HG12 H -2.590 -8.711 -0.508 1.00 . A A . 36 ILE HG12 1 1 1 563 1 1 36 ILE HG13 H -4.278 -8.998 -0.088 1.00 . A A . 36 ILE HG13 1 1 1 564 1 1 36 ILE HG21 H -1.176 -10.432 2.466 1.00 . A A . 36 ILE HG21 1 1 1 565 1 1 36 ILE HG22 H -0.822 -9.283 1.175 1.00 . A A . 36 ILE HG22 1 1 1 566 1 1 36 ILE HG23 H -1.714 -8.759 2.603 1.00 . A A . 36 ILE HG23 1 1 1 567 1 1 36 ILE N N -1.335 -11.195 -0.247 1.00 . A A . 36 ILE N 1 1 1 568 1 1 36 ILE O O -4.939 -11.112 -0.355 1.00 . A A . 36 ILE O 1 1 1 569 1 1 37 PHE C C -4.534 -13.378 -3.361 1.00 . A A . 37 PHE C 1 1 1 570 1 1 37 PHE CA C -4.504 -11.924 -2.882 1.00 . A A . 37 PHE CA 1 1 1 571 1 1 37 PHE CB C -4.185 -11.015 -4.072 1.00 . A A . 37 PHE CB 1 1 1 572 1 1 37 PHE CD1 C -5.323 -8.917 -3.259 1.00 . A A . 37 PHE CD1 1 1 1 573 1 1 37 PHE CD2 C -2.918 -8.896 -3.571 1.00 . A A . 37 PHE CD2 1 1 1 574 1 1 37 PHE CE1 C -5.280 -7.580 -2.847 1.00 . A A . 37 PHE CE1 1 1 1 575 1 1 37 PHE CE2 C -2.876 -7.559 -3.160 1.00 . A A . 37 PHE CE2 1 1 1 576 1 1 37 PHE CG C -4.141 -9.575 -3.621 1.00 . A A . 37 PHE CG 1 1 1 577 1 1 37 PHE CZ C -4.057 -6.900 -2.797 1.00 . A A . 37 PHE CZ 1 1 1 578 1 1 37 PHE H H -2.521 -11.979 -2.047 1.00 . A A . 37 PHE H 1 1 1 579 1 1 37 PHE HA H -5.467 -11.658 -2.472 1.00 . A A . 37 PHE HA 1 1 1 580 1 1 37 PHE HB2 H -3.227 -11.290 -4.487 1.00 . A A . 37 PHE HB2 1 1 1 581 1 1 37 PHE HB3 H -4.949 -11.130 -4.826 1.00 . A A . 37 PHE HB3 1 1 1 582 1 1 37 PHE HD1 H -6.266 -9.441 -3.297 1.00 . A A . 37 PHE HD1 1 1 1 583 1 1 37 PHE HD2 H -2.006 -9.404 -3.850 1.00 . A A . 37 PHE HD2 1 1 1 584 1 1 37 PHE HE1 H -6.192 -7.073 -2.567 1.00 . A A . 37 PHE HE1 1 1 1 585 1 1 37 PHE HE2 H -1.931 -7.035 -3.121 1.00 . A A . 37 PHE HE2 1 1 1 586 1 1 37 PHE HZ H -4.026 -5.869 -2.480 1.00 . A A . 37 PHE HZ 1 1 1 587 1 1 37 PHE N N -3.454 -11.769 -1.835 1.00 . A A . 37 PHE N 1 1 1 588 1 1 37 PHE O O -4.887 -13.662 -4.488 1.00 . A A . 37 PHE O 1 1 1 589 1 1 38 ALA C C -5.459 -16.403 -2.484 1.00 . A A . 38 ALA C 1 1 1 590 1 1 38 ALA CA C -4.161 -15.733 -2.936 1.00 . A A . 38 ALA CA 1 1 1 591 1 1 38 ALA CB C -2.969 -16.450 -2.297 1.00 . A A . 38 ALA CB 1 1 1 592 1 1 38 ALA H H -3.872 -14.056 -1.614 1.00 . A A . 38 ALA H 1 1 1 593 1 1 38 ALA HA H -4.081 -15.793 -4.010 1.00 . A A . 38 ALA HA 1 1 1 594 1 1 38 ALA HB1 H -2.991 -16.301 -1.227 1.00 . A A . 38 ALA HB1 1 1 1 595 1 1 38 ALA HB2 H -3.026 -17.506 -2.515 1.00 . A A . 38 ALA HB2 1 1 1 596 1 1 38 ALA HB3 H -2.050 -16.049 -2.698 1.00 . A A . 38 ALA HB3 1 1 1 597 1 1 38 ALA N N -4.159 -14.302 -2.518 1.00 . A A . 38 ALA N 1 1 1 598 1 1 38 ALA O O -5.937 -17.330 -3.106 1.00 . A A . 38 ALA O 1 1 1 599 1 1 39 ALA C C -8.268 -15.482 -0.458 1.00 . A A . 39 ALA C 1 1 1 600 1 1 39 ALA CA C -7.297 -16.571 -0.919 1.00 . A A . 39 ALA CA 1 1 1 601 1 1 39 ALA CB C -6.988 -17.507 0.250 1.00 . A A . 39 ALA CB 1 1 1 602 1 1 39 ALA H H -5.633 -15.202 -0.912 1.00 . A A . 39 ALA H 1 1 1 603 1 1 39 ALA HA H -7.748 -17.136 -1.721 1.00 . A A . 39 ALA HA 1 1 1 604 1 1 39 ALA HB1 H -5.969 -17.354 0.574 1.00 . A A . 39 ALA HB1 1 1 1 605 1 1 39 ALA HB2 H -7.661 -17.295 1.068 1.00 . A A . 39 ALA HB2 1 1 1 606 1 1 39 ALA HB3 H -7.115 -18.532 -0.065 1.00 . A A . 39 ALA HB3 1 1 1 607 1 1 39 ALA N N -6.033 -15.948 -1.404 1.00 . A A . 39 ALA N 1 1 1 608 1 1 39 ALA O O -8.363 -15.178 0.715 1.00 . A A . 39 ALA O 1 1 1 609 1 1 40 SER C C -11.388 -14.394 -1.092 1.00 . A A . 40 SER C 1 1 1 610 1 1 40 SER CA C -9.967 -13.837 -0.982 1.00 . A A . 40 SER CA 1 1 1 611 1 1 40 SER CB C -9.814 -12.637 -1.917 1.00 . A A . 40 SER CB 1 1 1 612 1 1 40 SER H H -8.908 -15.162 -2.310 1.00 . A A . 40 SER H 1 1 1 613 1 1 40 SER HA H -9.778 -13.529 0.036 1.00 . A A . 40 SER HA 1 1 1 614 1 1 40 SER HB2 H -8.979 -12.797 -2.579 1.00 . A A . 40 SER HB2 1 1 1 615 1 1 40 SER HB3 H -10.717 -12.520 -2.503 1.00 . A A . 40 SER HB3 1 1 1 616 1 1 40 SER HG H -9.804 -10.704 -1.685 1.00 . A A . 40 SER HG 1 1 1 617 1 1 40 SER N N -8.996 -14.898 -1.370 1.00 . A A . 40 SER N 1 1 1 618 1 1 40 SER O O -11.870 -14.679 -2.170 1.00 . A A . 40 SER O 1 1 1 619 1 1 40 SER OG O -9.581 -11.466 -1.145 1.00 . A A . 40 SER OG 1 1 1 620 1 1 41 LYS C C -14.409 -14.140 0.660 1.00 . A A . 41 LYS C 1 1 1 621 1 1 41 LYS CA C -13.445 -15.105 -0.033 1.00 . A A . 41 LYS CA 1 1 1 622 1 1 41 LYS CB C -13.480 -16.458 0.683 1.00 . A A . 41 LYS CB 1 1 1 623 1 1 41 LYS CD C -13.572 -18.932 0.355 1.00 . A A . 41 LYS CD 1 1 1 624 1 1 41 LYS CE C -13.186 -20.063 -0.601 1.00 . A A . 41 LYS CE 1 1 1 625 1 1 41 LYS CG C -13.399 -17.586 -0.348 1.00 . A A . 41 LYS CG 1 1 1 626 1 1 41 LYS H H -11.652 -14.327 0.875 1.00 . A A . 41 LYS H 1 1 1 627 1 1 41 LYS HA H -13.745 -15.236 -1.062 1.00 . A A . 41 LYS HA 1 1 1 628 1 1 41 LYS HB2 H -12.642 -16.527 1.361 1.00 . A A . 41 LYS HB2 1 1 1 629 1 1 41 LYS HB3 H -14.402 -16.547 1.239 1.00 . A A . 41 LYS HB3 1 1 1 630 1 1 41 LYS HD2 H -12.935 -18.966 1.229 1.00 . A A . 41 LYS HD2 1 1 1 631 1 1 41 LYS HD3 H -14.601 -19.052 0.655 1.00 . A A . 41 LYS HD3 1 1 1 632 1 1 41 LYS HE2 H -12.670 -19.650 -1.456 1.00 . A A . 41 LYS HE2 1 1 1 633 1 1 41 LYS HE3 H -12.538 -20.760 -0.091 1.00 . A A . 41 LYS HE3 1 1 1 634 1 1 41 LYS HG2 H -14.182 -17.459 -1.082 1.00 . A A . 41 LYS HG2 1 1 1 635 1 1 41 LYS HG3 H -12.438 -17.558 -0.839 1.00 . A A . 41 LYS HG3 1 1 1 636 1 1 41 LYS HZ1 H -15.248 -20.170 -0.874 1.00 . A A . 41 LYS HZ1 1 1 1 637 1 1 41 LYS HZ2 H -14.350 -20.964 -2.074 1.00 . A A . 41 LYS HZ2 1 1 1 638 1 1 41 LYS HZ3 H -14.515 -21.665 -0.536 1.00 . A A . 41 LYS HZ3 1 1 1 639 1 1 41 LYS N N -12.060 -14.558 0.014 1.00 . A A . 41 LYS N 1 1 1 640 1 1 41 LYS NZ N -14.418 -20.769 -1.056 1.00 . A A . 41 LYS NZ 1 1 1 641 1 1 41 LYS O O -15.224 -13.499 0.026 1.00 . A A . 41 LYS O 1 1 1 642 1 1 42 ASP C C -14.500 -11.850 3.116 1.00 . A A . 42 ASP C 1 1 1 643 1 1 42 ASP CA C -15.249 -13.117 2.688 1.00 . A A . 42 ASP CA 1 1 1 644 1 1 42 ASP CB C -15.792 -13.825 3.931 1.00 . A A . 42 ASP CB 1 1 1 645 1 1 42 ASP CG C -17.070 -14.583 3.569 1.00 . A A . 42 ASP CG 1 1 1 646 1 1 42 ASP H H -13.670 -14.564 2.454 1.00 . A A . 42 ASP H 1 1 1 647 1 1 42 ASP HA H -16.072 -12.845 2.044 1.00 . A A . 42 ASP HA 1 1 1 648 1 1 42 ASP HB2 H -15.052 -14.520 4.300 1.00 . A A . 42 ASP HB2 1 1 1 649 1 1 42 ASP HB3 H -16.013 -13.094 4.694 1.00 . A A . 42 ASP HB3 1 1 1 650 1 1 42 ASP N N -14.330 -14.036 1.958 1.00 . A A . 42 ASP N 1 1 1 651 1 1 42 ASP O O -14.902 -11.165 4.034 1.00 . A A . 42 ASP O 1 1 1 652 1 1 42 ASP OD1 O -18.101 -13.942 3.446 1.00 . A A . 42 ASP OD1 1 1 1 653 1 1 42 ASP OD2 O -16.997 -15.792 3.420 1.00 . A A . 42 ASP OD2 1 1 1 654 1 1 43 THR C C -13.190 -9.114 2.036 1.00 . A A . 43 THR C 1 1 1 655 1 1 43 THR CA C -12.663 -10.301 2.840 1.00 . A A . 43 THR CA 1 1 1 656 1 1 43 THR CB C -11.175 -10.498 2.539 1.00 . A A . 43 THR CB 1 1 1 657 1 1 43 THR CG2 C -10.515 -11.246 3.698 1.00 . A A . 43 THR CG2 1 1 1 658 1 1 43 THR H H -13.104 -12.083 1.717 1.00 . A A . 43 THR H 1 1 1 659 1 1 43 THR HA H -12.794 -10.109 3.894 1.00 . A A . 43 THR HA 1 1 1 660 1 1 43 THR HB H -10.701 -9.537 2.421 1.00 . A A . 43 THR HB 1 1 1 661 1 1 43 THR HG1 H -10.092 -11.345 1.163 1.00 . A A . 43 THR HG1 1 1 1 662 1 1 43 THR HG21 H -11.278 -11.630 4.360 1.00 . A A . 43 THR HG21 1 1 1 663 1 1 43 THR HG22 H -9.929 -12.066 3.310 1.00 . A A . 43 THR HG22 1 1 1 664 1 1 43 THR HG23 H -9.874 -10.570 4.242 1.00 . A A . 43 THR HG23 1 1 1 665 1 1 43 THR N N -13.417 -11.527 2.460 1.00 . A A . 43 THR N 1 1 1 666 1 1 43 THR O O -13.336 -9.184 0.831 1.00 . A A . 43 THR O 1 1 1 667 1 1 43 THR OG1 O -11.031 -11.250 1.343 1.00 . A A . 43 THR OG1 1 1 1 668 1 1 44 THR C C -12.854 -5.857 1.701 1.00 . A A . 44 THR C 1 1 1 669 1 1 44 THR CA C -13.995 -6.839 1.952 1.00 . A A . 44 THR CA 1 1 1 670 1 1 44 THR CB C -15.093 -6.157 2.772 1.00 . A A . 44 THR CB 1 1 1 671 1 1 44 THR CG2 C -16.406 -6.184 1.988 1.00 . A A . 44 THR CG2 1 1 1 672 1 1 44 THR H H -13.355 -7.983 3.660 1.00 . A A . 44 THR H 1 1 1 673 1 1 44 THR HA H -14.399 -7.157 1.006 1.00 . A A . 44 THR HA 1 1 1 674 1 1 44 THR HB H -14.815 -5.131 2.963 1.00 . A A . 44 THR HB 1 1 1 675 1 1 44 THR HG1 H -16.169 -7.139 4.060 1.00 . A A . 44 THR HG1 1 1 1 676 1 1 44 THR HG21 H -16.452 -7.086 1.394 1.00 . A A . 44 THR HG21 1 1 1 677 1 1 44 THR HG22 H -17.237 -6.165 2.678 1.00 . A A . 44 THR HG22 1 1 1 678 1 1 44 THR HG23 H -16.457 -5.323 1.340 1.00 . A A . 44 THR HG23 1 1 1 679 1 1 44 THR N N -13.478 -8.023 2.689 1.00 . A A . 44 THR N 1 1 1 680 1 1 44 THR O O -11.695 -6.190 1.836 1.00 . A A . 44 THR O 1 1 1 681 1 1 44 THR OG1 O -15.257 -6.843 4.004 1.00 . A A . 44 THR OG1 1 1 1 682 1 1 45 GLU C C -11.452 -3.228 2.379 1.00 . A A . 45 GLU C 1 1 1 683 1 1 45 GLU CA C -12.104 -3.657 1.061 1.00 . A A . 45 GLU CA 1 1 1 684 1 1 45 GLU CB C -12.704 -2.439 0.348 1.00 . A A . 45 GLU CB 1 1 1 685 1 1 45 GLU CD C -14.569 -0.777 0.448 1.00 . A A . 45 GLU CD 1 1 1 686 1 1 45 GLU CG C -13.701 -1.732 1.269 1.00 . A A . 45 GLU CG 1 1 1 687 1 1 45 GLU H H -14.115 -4.404 1.217 1.00 . A A . 45 GLU H 1 1 1 688 1 1 45 GLU HA H -11.354 -4.106 0.425 1.00 . A A . 45 GLU HA 1 1 1 689 1 1 45 GLU HB2 H -11.914 -1.756 0.079 1.00 . A A . 45 GLU HB2 1 1 1 690 1 1 45 GLU HB3 H -13.214 -2.765 -0.547 1.00 . A A . 45 GLU HB3 1 1 1 691 1 1 45 GLU HG2 H -14.330 -2.467 1.750 1.00 . A A . 45 GLU HG2 1 1 1 692 1 1 45 GLU HG3 H -13.163 -1.172 2.019 1.00 . A A . 45 GLU HG3 1 1 1 693 1 1 45 GLU N N -13.173 -4.652 1.328 1.00 . A A . 45 GLU N 1 1 1 694 1 1 45 GLU O O -10.247 -3.148 2.481 1.00 . A A . 45 GLU O 1 1 1 695 1 1 45 GLU OE1 O -14.230 -0.535 -0.698 1.00 . A A . 45 GLU OE1 1 1 1 696 1 1 45 GLU OE2 O -15.558 -0.301 0.982 1.00 . A A . 45 GLU OE2 1 1 1 697 1 1 46 LYS C C -10.707 -3.613 5.234 1.00 . A A . 46 LYS C 1 1 1 698 1 1 46 LYS CA C -11.641 -2.526 4.692 1.00 . A A . 46 LYS CA 1 1 1 699 1 1 46 LYS CB C -12.759 -2.262 5.704 1.00 . A A . 46 LYS CB 1 1 1 700 1 1 46 LYS CD C -14.964 -3.165 6.452 1.00 . A A . 46 LYS CD 1 1 1 701 1 1 46 LYS CE C -15.094 -3.655 7.896 1.00 . A A . 46 LYS CE 1 1 1 702 1 1 46 LYS CG C -13.582 -3.535 5.910 1.00 . A A . 46 LYS CG 1 1 1 703 1 1 46 LYS H H -13.204 -3.032 3.299 1.00 . A A . 46 LYS H 1 1 1 704 1 1 46 LYS HA H -11.076 -1.618 4.543 1.00 . A A . 46 LYS HA 1 1 1 705 1 1 46 LYS HB2 H -12.326 -1.958 6.646 1.00 . A A . 46 LYS HB2 1 1 1 706 1 1 46 LYS HB3 H -13.401 -1.477 5.332 1.00 . A A . 46 LYS HB3 1 1 1 707 1 1 46 LYS HD2 H -15.086 -2.091 6.422 1.00 . A A . 46 LYS HD2 1 1 1 708 1 1 46 LYS HD3 H -15.725 -3.631 5.846 1.00 . A A . 46 LYS HD3 1 1 1 709 1 1 46 LYS HE2 H -14.626 -4.623 7.991 1.00 . A A . 46 LYS HE2 1 1 1 710 1 1 46 LYS HE3 H -14.609 -2.954 8.560 1.00 . A A . 46 LYS HE3 1 1 1 711 1 1 46 LYS HG2 H -13.691 -4.050 4.965 1.00 . A A . 46 LYS HG2 1 1 1 712 1 1 46 LYS HG3 H -13.080 -4.179 6.617 1.00 . A A . 46 LYS HG3 1 1 1 713 1 1 46 LYS HZ1 H -17.098 -3.162 7.618 1.00 . A A . 46 LYS HZ1 1 1 1 714 1 1 46 LYS HZ2 H -16.843 -4.753 8.159 1.00 . A A . 46 LYS HZ2 1 1 1 715 1 1 46 LYS HZ3 H -16.674 -3.454 9.237 1.00 . A A . 46 LYS HZ3 1 1 1 716 1 1 46 LYS N N -12.233 -2.956 3.393 1.00 . A A . 46 LYS N 1 1 1 717 1 1 46 LYS NZ N -16.536 -3.764 8.255 1.00 . A A . 46 LYS NZ 1 1 1 718 1 1 46 LYS O O -9.629 -3.329 5.715 1.00 . A A . 46 LYS O 1 1 1 719 1 1 47 GLU C C -8.963 -6.024 4.835 1.00 . A A . 47 GLU C 1 1 1 720 1 1 47 GLU CA C -10.231 -5.940 5.686 1.00 . A A . 47 GLU CA 1 1 1 721 1 1 47 GLU CB C -10.980 -7.274 5.628 1.00 . A A . 47 GLU CB 1 1 1 722 1 1 47 GLU CD C -11.953 -9.113 7.012 1.00 . A A . 47 GLU CD 1 1 1 723 1 1 47 GLU CG C -11.376 -7.697 7.043 1.00 . A A . 47 GLU CG 1 1 1 724 1 1 47 GLU H H -11.981 -5.069 4.777 1.00 . A A . 47 GLU H 1 1 1 725 1 1 47 GLU HA H -9.962 -5.723 6.710 1.00 . A A . 47 GLU HA 1 1 1 726 1 1 47 GLU HB2 H -11.867 -7.162 5.022 1.00 . A A . 47 GLU HB2 1 1 1 727 1 1 47 GLU HB3 H -10.338 -8.027 5.194 1.00 . A A . 47 GLU HB3 1 1 1 728 1 1 47 GLU HG2 H -10.504 -7.678 7.682 1.00 . A A . 47 GLU HG2 1 1 1 729 1 1 47 GLU HG3 H -12.119 -7.016 7.428 1.00 . A A . 47 GLU HG3 1 1 1 730 1 1 47 GLU N N -11.108 -4.853 5.166 1.00 . A A . 47 GLU N 1 1 1 731 1 1 47 GLU O O -7.882 -6.266 5.336 1.00 . A A . 47 GLU O 1 1 1 732 1 1 47 GLU OE1 O -11.309 -9.984 6.448 1.00 . A A . 47 GLU OE1 1 1 1 733 1 1 47 GLU OE2 O -13.030 -9.305 7.552 1.00 . A A . 47 GLU OE2 1 1 1 734 1 1 48 THR C C -6.968 -4.699 2.888 1.00 . A A . 48 THR C 1 1 1 735 1 1 48 THR CA C -7.884 -5.914 2.669 1.00 . A A . 48 THR CA 1 1 1 736 1 1 48 THR CB C -8.330 -5.955 1.206 1.00 . A A . 48 THR CB 1 1 1 737 1 1 48 THR CG2 C -7.107 -6.124 0.303 1.00 . A A . 48 THR CG2 1 1 1 738 1 1 48 THR H H -9.970 -5.648 3.161 1.00 . A A . 48 THR H 1 1 1 739 1 1 48 THR HA H -7.337 -6.816 2.897 1.00 . A A . 48 THR HA 1 1 1 740 1 1 48 THR HB H -8.832 -5.033 0.955 1.00 . A A . 48 THR HB 1 1 1 741 1 1 48 THR HG1 H -9.207 -7.279 0.082 1.00 . A A . 48 THR HG1 1 1 1 742 1 1 48 THR HG21 H -6.344 -6.676 0.830 1.00 . A A . 48 THR HG21 1 1 1 743 1 1 48 THR HG22 H -7.389 -6.663 -0.590 1.00 . A A . 48 THR HG22 1 1 1 744 1 1 48 THR HG23 H -6.724 -5.152 0.030 1.00 . A A . 48 THR HG23 1 1 1 745 1 1 48 THR N N -9.085 -5.834 3.549 1.00 . A A . 48 THR N 1 1 1 746 1 1 48 THR O O -5.808 -4.723 2.524 1.00 . A A . 48 THR O 1 1 1 747 1 1 48 THR OG1 O -9.218 -7.047 1.014 1.00 . A A . 48 THR OG1 1 1 1 748 1 1 49 PHE C C -5.847 -2.559 4.998 1.00 . A A . 49 PHE C 1 1 1 749 1 1 49 PHE CA C -6.593 -2.438 3.681 1.00 . A A . 49 PHE CA 1 1 1 750 1 1 49 PHE CB C -7.443 -1.172 3.709 1.00 . A A . 49 PHE CB 1 1 1 751 1 1 49 PHE CD1 C -7.022 -0.872 1.251 1.00 . A A . 49 PHE CD1 1 1 1 752 1 1 49 PHE CD2 C -9.281 -0.654 2.095 1.00 . A A . 49 PHE CD2 1 1 1 753 1 1 49 PHE CE1 C -7.479 -0.625 -0.044 1.00 . A A . 49 PHE CE1 1 1 1 754 1 1 49 PHE CE2 C -9.739 -0.413 0.804 1.00 . A A . 49 PHE CE2 1 1 1 755 1 1 49 PHE CG C -7.926 -0.885 2.319 1.00 . A A . 49 PHE CG 1 1 1 756 1 1 49 PHE CZ C -8.839 -0.397 -0.270 1.00 . A A . 49 PHE CZ 1 1 1 757 1 1 49 PHE H H -8.401 -3.619 3.754 1.00 . A A . 49 PHE H 1 1 1 758 1 1 49 PHE HA H -5.881 -2.373 2.875 1.00 . A A . 49 PHE HA 1 1 1 759 1 1 49 PHE HB2 H -8.290 -1.319 4.365 1.00 . A A . 49 PHE HB2 1 1 1 760 1 1 49 PHE HB3 H -6.849 -0.345 4.065 1.00 . A A . 49 PHE HB3 1 1 1 761 1 1 49 PHE HD1 H -5.971 -1.045 1.426 1.00 . A A . 49 PHE HD1 1 1 1 762 1 1 49 PHE HD2 H -9.975 -0.664 2.921 1.00 . A A . 49 PHE HD2 1 1 1 763 1 1 49 PHE HE1 H -6.783 -0.616 -0.867 1.00 . A A . 49 PHE HE1 1 1 1 764 1 1 49 PHE HE2 H -10.789 -0.236 0.633 1.00 . A A . 49 PHE HE2 1 1 1 765 1 1 49 PHE HZ H -9.196 -0.210 -1.272 1.00 . A A . 49 PHE HZ 1 1 1 766 1 1 49 PHE N N -7.464 -3.635 3.468 1.00 . A A . 49 PHE N 1 1 1 767 1 1 49 PHE O O -4.720 -2.129 5.120 1.00 . A A . 49 PHE O 1 1 1 768 1 1 50 CYS C C -4.665 -4.323 7.137 1.00 . A A . 50 CYS C 1 1 1 769 1 1 50 CYS CA C -5.767 -3.273 7.291 1.00 . A A . 50 CYS CA 1 1 1 770 1 1 50 CYS CB C -6.777 -3.716 8.348 1.00 . A A . 50 CYS CB 1 1 1 771 1 1 50 CYS H H -7.371 -3.470 5.873 1.00 . A A . 50 CYS H 1 1 1 772 1 1 50 CYS HA H -5.327 -2.320 7.572 1.00 . A A . 50 CYS HA 1 1 1 773 1 1 50 CYS HB2 H -7.545 -2.962 8.449 1.00 . A A . 50 CYS HB2 1 1 1 774 1 1 50 CYS HB3 H -7.228 -4.649 8.045 1.00 . A A . 50 CYS HB3 1 1 1 775 1 1 50 CYS N N -6.459 -3.132 5.988 1.00 . A A . 50 CYS N 1 1 1 776 1 1 50 CYS O O -3.583 -4.189 7.677 1.00 . A A . 50 CYS O 1 1 1 777 1 1 50 CYS SG S -5.939 -3.936 9.932 1.00 . A A . 50 CYS SG 1 1 1 778 1 1 51 ARG C C -2.760 -5.799 5.331 1.00 . A A . 51 ARG C 1 1 1 779 1 1 51 ARG CA C -3.885 -6.405 6.166 1.00 . A A . 51 ARG CA 1 1 1 780 1 1 51 ARG CB C -4.492 -7.585 5.404 1.00 . A A . 51 ARG CB 1 1 1 781 1 1 51 ARG CD C -6.066 -9.500 5.659 1.00 . A A . 51 ARG CD 1 1 1 782 1 1 51 ARG CG C -5.073 -8.596 6.392 1.00 . A A . 51 ARG CG 1 1 1 783 1 1 51 ARG CZ C -6.558 -11.891 5.608 1.00 . A A . 51 ARG CZ 1 1 1 784 1 1 51 ARG H H -5.797 -5.436 5.940 1.00 . A A . 51 ARG H 1 1 1 785 1 1 51 ARG HA H -3.499 -6.741 7.117 1.00 . A A . 51 ARG HA 1 1 1 786 1 1 51 ARG HB2 H -5.277 -7.226 4.754 1.00 . A A . 51 ARG HB2 1 1 1 787 1 1 51 ARG HB3 H -3.726 -8.063 4.813 1.00 . A A . 51 ARG HB3 1 1 1 788 1 1 51 ARG HD2 H -7.064 -9.304 6.018 1.00 . A A . 51 ARG HD2 1 1 1 789 1 1 51 ARG HD3 H -6.020 -9.296 4.598 1.00 . A A . 51 ARG HD3 1 1 1 790 1 1 51 ARG HE H -4.856 -11.151 6.319 1.00 . A A . 51 ARG HE 1 1 1 791 1 1 51 ARG HG2 H -4.274 -9.195 6.805 1.00 . A A . 51 ARG HG2 1 1 1 792 1 1 51 ARG HG3 H -5.582 -8.074 7.188 1.00 . A A . 51 ARG HG3 1 1 1 793 1 1 51 ARG HH11 H -7.982 -10.692 4.840 1.00 . A A . 51 ARG HH11 1 1 1 794 1 1 51 ARG HH12 H -8.338 -12.382 4.824 1.00 . A A . 51 ARG HH12 1 1 1 795 1 1 51 ARG HH21 H -5.350 -13.339 6.281 1.00 . A A . 51 ARG HH21 1 1 1 796 1 1 51 ARG HH22 H -6.866 -13.869 5.631 1.00 . A A . 51 ARG HH22 1 1 1 797 1 1 51 ARG N N -4.924 -5.358 6.381 1.00 . A A . 51 ARG N 1 1 1 798 1 1 51 ARG NE N -5.719 -10.928 5.912 1.00 . A A . 51 ARG NE 1 1 1 799 1 1 51 ARG NH1 N -7.715 -11.631 5.047 1.00 . A A . 51 ARG NH1 1 1 1 800 1 1 51 ARG NH2 N -6.233 -13.130 5.859 1.00 . A A . 51 ARG NH2 1 1 1 801 1 1 51 ARG O O -1.604 -5.820 5.711 1.00 . A A . 51 ARG O 1 1 1 802 1 1 52 ALA C C -1.452 -3.402 4.062 1.00 . A A . 52 ALA C 1 1 1 803 1 1 52 ALA CA C -2.063 -4.608 3.338 1.00 . A A . 52 ALA CA 1 1 1 804 1 1 52 ALA CB C -2.705 -4.140 2.034 1.00 . A A . 52 ALA CB 1 1 1 805 1 1 52 ALA H H -4.039 -5.225 3.925 1.00 . A A . 52 ALA H 1 1 1 806 1 1 52 ALA HA H -1.287 -5.327 3.119 1.00 . A A . 52 ALA HA 1 1 1 807 1 1 52 ALA HB1 H -3.306 -4.937 1.623 1.00 . A A . 52 ALA HB1 1 1 1 808 1 1 52 ALA HB2 H -3.329 -3.280 2.230 1.00 . A A . 52 ALA HB2 1 1 1 809 1 1 52 ALA HB3 H -1.932 -3.871 1.329 1.00 . A A . 52 ALA HB3 1 1 1 810 1 1 52 ALA N N -3.098 -5.240 4.201 1.00 . A A . 52 ALA N 1 1 1 811 1 1 52 ALA O O -0.414 -2.906 3.678 1.00 . A A . 52 ALA O 1 1 1 812 1 1 53 ALA C C -0.417 -2.269 6.768 1.00 . A A . 53 ALA C 1 1 1 813 1 1 53 ALA CA C -1.522 -1.765 5.846 1.00 . A A . 53 ALA CA 1 1 1 814 1 1 53 ALA CB C -2.620 -1.107 6.677 1.00 . A A . 53 ALA CB 1 1 1 815 1 1 53 ALA H H -2.914 -3.335 5.410 1.00 . A A . 53 ALA H 1 1 1 816 1 1 53 ALA HA H -1.114 -1.050 5.147 1.00 . A A . 53 ALA HA 1 1 1 817 1 1 53 ALA HB1 H -3.387 -1.834 6.902 1.00 . A A . 53 ALA HB1 1 1 1 818 1 1 53 ALA HB2 H -2.200 -0.733 7.600 1.00 . A A . 53 ALA HB2 1 1 1 819 1 1 53 ALA HB3 H -3.052 -0.288 6.121 1.00 . A A . 53 ALA HB3 1 1 1 820 1 1 53 ALA N N -2.081 -2.926 5.107 1.00 . A A . 53 ALA N 1 1 1 821 1 1 53 ALA O O 0.560 -1.592 7.008 1.00 . A A . 53 ALA O 1 1 1 822 1 1 54 THR C C 1.726 -4.312 7.314 1.00 . A A . 54 THR C 1 1 1 823 1 1 54 THR CA C 0.491 -4.024 8.165 1.00 . A A . 54 THR CA 1 1 1 824 1 1 54 THR CB C -0.013 -5.322 8.800 1.00 . A A . 54 THR CB 1 1 1 825 1 1 54 THR CG2 C 1.178 -6.159 9.268 1.00 . A A . 54 THR CG2 1 1 1 826 1 1 54 THR H H -1.354 -3.996 7.059 1.00 . A A . 54 THR H 1 1 1 827 1 1 54 THR HA H 0.736 -3.309 8.937 1.00 . A A . 54 THR HA 1 1 1 828 1 1 54 THR HB H -0.578 -5.884 8.072 1.00 . A A . 54 THR HB 1 1 1 829 1 1 54 THR HG1 H -0.331 -4.482 10.525 1.00 . A A . 54 THR HG1 1 1 1 830 1 1 54 THR HG21 H 1.896 -5.520 9.760 1.00 . A A . 54 THR HG21 1 1 1 831 1 1 54 THR HG22 H 0.837 -6.917 9.959 1.00 . A A . 54 THR HG22 1 1 1 832 1 1 54 THR HG23 H 1.642 -6.633 8.416 1.00 . A A . 54 THR HG23 1 1 1 833 1 1 54 THR N N -0.561 -3.463 7.276 1.00 . A A . 54 THR N 1 1 1 834 1 1 54 THR O O 2.839 -3.991 7.682 1.00 . A A . 54 THR O 1 1 1 835 1 1 54 THR OG1 O -0.844 -5.013 9.910 1.00 . A A . 54 THR OG1 1 1 1 836 1 1 55 VAL C C 3.284 -3.865 4.808 1.00 . A A . 55 VAL C 1 1 1 837 1 1 55 VAL CA C 2.682 -5.193 5.270 1.00 . A A . 55 VAL CA 1 1 1 838 1 1 55 VAL CB C 2.193 -5.994 4.060 1.00 . A A . 55 VAL CB 1 1 1 839 1 1 55 VAL CG1 C 3.382 -6.343 3.164 1.00 . A A . 55 VAL CG1 1 1 1 840 1 1 55 VAL CG2 C 1.527 -7.285 4.544 1.00 . A A . 55 VAL CG2 1 1 1 841 1 1 55 VAL H H 0.620 -5.135 5.884 1.00 . A A . 55 VAL H 1 1 1 842 1 1 55 VAL HA H 3.426 -5.762 5.809 1.00 . A A . 55 VAL HA 1 1 1 843 1 1 55 VAL HB H 1.478 -5.404 3.501 1.00 . A A . 55 VAL HB 1 1 1 844 1 1 55 VAL HG11 H 4.300 -6.053 3.653 1.00 . A A . 55 VAL HG11 1 1 1 845 1 1 55 VAL HG12 H 3.393 -7.407 2.979 1.00 . A A . 55 VAL HG12 1 1 1 846 1 1 55 VAL HG13 H 3.292 -5.816 2.226 1.00 . A A . 55 VAL HG13 1 1 1 847 1 1 55 VAL HG21 H 0.766 -7.046 5.273 1.00 . A A . 55 VAL HG21 1 1 1 848 1 1 55 VAL HG22 H 1.075 -7.793 3.706 1.00 . A A . 55 VAL HG22 1 1 1 849 1 1 55 VAL HG23 H 2.269 -7.926 4.995 1.00 . A A . 55 VAL HG23 1 1 1 850 1 1 55 VAL N N 1.530 -4.900 6.164 1.00 . A A . 55 VAL N 1 1 1 851 1 1 55 VAL O O 4.483 -3.731 4.643 1.00 . A A . 55 VAL O 1 1 1 852 1 1 56 LEU C C 3.754 -0.920 5.345 1.00 . A A . 56 LEU C 1 1 1 853 1 1 56 LEU CA C 2.962 -1.540 4.192 1.00 . A A . 56 LEU CA 1 1 1 854 1 1 56 LEU CB C 1.777 -0.632 3.847 1.00 . A A . 56 LEU CB 1 1 1 855 1 1 56 LEU CD1 C 0.884 -1.407 1.646 1.00 . A A . 56 LEU CD1 1 1 1 856 1 1 56 LEU CD2 C 1.176 1.034 2.088 1.00 . A A . 56 LEU CD2 1 1 1 857 1 1 56 LEU CG C 1.756 -0.360 2.342 1.00 . A A . 56 LEU CG 1 1 1 858 1 1 56 LEU H H 1.500 -3.004 4.779 1.00 . A A . 56 LEU H 1 1 1 859 1 1 56 LEU HA H 3.600 -1.650 3.328 1.00 . A A . 56 LEU HA 1 1 1 860 1 1 56 LEU HB2 H 0.856 -1.117 4.139 1.00 . A A . 56 LEU HB2 1 1 1 861 1 1 56 LEU HB3 H 1.874 0.303 4.378 1.00 . A A . 56 LEU HB3 1 1 1 862 1 1 56 LEU HD11 H -0.112 -1.378 2.060 1.00 . A A . 56 LEU HD11 1 1 1 863 1 1 56 LEU HD12 H 0.841 -1.193 0.588 1.00 . A A . 56 LEU HD12 1 1 1 864 1 1 56 LEU HD13 H 1.310 -2.388 1.797 1.00 . A A . 56 LEU HD13 1 1 1 865 1 1 56 LEU HD21 H 1.621 1.740 2.773 1.00 . A A . 56 LEU HD21 1 1 1 866 1 1 56 LEU HD22 H 1.392 1.333 1.073 1.00 . A A . 56 LEU HD22 1 1 1 867 1 1 56 LEU HD23 H 0.107 1.011 2.237 1.00 . A A . 56 LEU HD23 1 1 1 868 1 1 56 LEU HG H 2.763 -0.411 1.953 1.00 . A A . 56 LEU HG 1 1 1 869 1 1 56 LEU N N 2.456 -2.874 4.619 1.00 . A A . 56 LEU N 1 1 1 870 1 1 56 LEU O O 4.648 -0.123 5.142 1.00 . A A . 56 LEU O 1 1 1 871 1 1 57 ARG C C 5.593 -1.272 7.712 1.00 . A A . 57 ARG C 1 1 1 872 1 1 57 ARG CA C 4.164 -0.735 7.728 1.00 . A A . 57 ARG CA 1 1 1 873 1 1 57 ARG CB C 3.462 -1.176 9.014 1.00 . A A . 57 ARG CB 1 1 1 874 1 1 57 ARG CD C 3.455 -0.995 11.502 1.00 . A A . 57 ARG CD 1 1 1 875 1 1 57 ARG CG C 4.082 -0.458 10.214 1.00 . A A . 57 ARG CG 1 1 1 876 1 1 57 ARG CZ C 2.902 -0.076 13.697 1.00 . A A . 57 ARG CZ 1 1 1 877 1 1 57 ARG H H 2.716 -1.936 6.701 1.00 . A A . 57 ARG H 1 1 1 878 1 1 57 ARG HA H 4.178 0.343 7.672 1.00 . A A . 57 ARG HA 1 1 1 879 1 1 57 ARG HB2 H 2.412 -0.932 8.952 1.00 . A A . 57 ARG HB2 1 1 1 880 1 1 57 ARG HB3 H 3.577 -2.243 9.137 1.00 . A A . 57 ARG HB3 1 1 1 881 1 1 57 ARG HD2 H 2.407 -1.195 11.336 1.00 . A A . 57 ARG HD2 1 1 1 882 1 1 57 ARG HD3 H 3.954 -1.909 11.792 1.00 . A A . 57 ARG HD3 1 1 1 883 1 1 57 ARG HE H 4.230 0.759 12.475 1.00 . A A . 57 ARG HE 1 1 1 884 1 1 57 ARG HG2 H 5.148 -0.635 10.228 1.00 . A A . 57 ARG HG2 1 1 1 885 1 1 57 ARG HG3 H 3.892 0.602 10.138 1.00 . A A . 57 ARG HG3 1 1 1 886 1 1 57 ARG HH11 H 1.915 -1.756 13.186 1.00 . A A . 57 ARG HH11 1 1 1 887 1 1 57 ARG HH12 H 1.529 -1.102 14.738 1.00 . A A . 57 ARG HH12 1 1 1 888 1 1 57 ARG HH21 H 3.702 1.576 14.496 1.00 . A A . 57 ARG HH21 1 1 1 889 1 1 57 ARG HH22 H 2.528 0.764 15.476 1.00 . A A . 57 ARG HH22 1 1 1 890 1 1 57 ARG N N 3.433 -1.288 6.559 1.00 . A A . 57 ARG N 1 1 1 891 1 1 57 ARG NE N 3.602 0.016 12.589 1.00 . A A . 57 ARG NE 1 1 1 892 1 1 57 ARG NH1 N 2.049 -1.056 13.886 1.00 . A A . 57 ARG NH1 1 1 1 893 1 1 57 ARG NH2 N 3.056 0.825 14.629 1.00 . A A . 57 ARG NH2 1 1 1 894 1 1 57 ARG O O 6.544 -0.538 7.881 1.00 . A A . 57 ARG O 1 1 1 895 1 1 58 GLN C C 7.881 -2.590 6.259 1.00 . A A . 58 GLN C 1 1 1 896 1 1 58 GLN CA C 7.113 -3.143 7.464 1.00 . A A . 58 GLN CA 1 1 1 897 1 1 58 GLN CB C 6.999 -4.665 7.340 1.00 . A A . 58 GLN CB 1 1 1 898 1 1 58 GLN CD C 7.996 -6.741 8.307 1.00 . A A . 58 GLN CD 1 1 1 899 1 1 58 GLN CG C 7.513 -5.324 8.622 1.00 . A A . 58 GLN CG 1 1 1 900 1 1 58 GLN H H 4.962 -3.120 7.362 1.00 . A A . 58 GLN H 1 1 1 901 1 1 58 GLN HA H 7.640 -2.895 8.373 1.00 . A A . 58 GLN HA 1 1 1 902 1 1 58 GLN HB2 H 5.966 -4.936 7.184 1.00 . A A . 58 GLN HB2 1 1 1 903 1 1 58 GLN HB3 H 7.591 -5.002 6.503 1.00 . A A . 58 GLN HB3 1 1 1 904 1 1 58 GLN HE21 H 8.656 -7.079 10.149 1.00 . A A . 58 GLN HE21 1 1 1 905 1 1 58 GLN HE22 H 8.865 -8.362 9.057 1.00 . A A . 58 GLN HE22 1 1 1 906 1 1 58 GLN HG2 H 8.331 -4.744 9.023 1.00 . A A . 58 GLN HG2 1 1 1 907 1 1 58 GLN HG3 H 6.714 -5.371 9.348 1.00 . A A . 58 GLN HG3 1 1 1 908 1 1 58 GLN N N 5.747 -2.550 7.501 1.00 . A A . 58 GLN N 1 1 1 909 1 1 58 GLN NE2 N 8.552 -7.453 9.250 1.00 . A A . 58 GLN NE2 1 1 1 910 1 1 58 GLN O O 9.094 -2.532 6.262 1.00 . A A . 58 GLN O 1 1 1 911 1 1 58 GLN OE1 O 7.867 -7.206 7.192 1.00 . A A . 58 GLN OE1 1 1 1 912 1 1 59 PHE C C 8.462 -0.265 4.329 1.00 . A A . 59 PHE C 1 1 1 913 1 1 59 PHE CA C 7.886 -1.652 4.023 1.00 . A A . 59 PHE CA 1 1 1 914 1 1 59 PHE CB C 6.891 -1.543 2.862 1.00 . A A . 59 PHE CB 1 1 1 915 1 1 59 PHE CD1 C 8.150 0.076 1.383 1.00 . A A . 59 PHE CD1 1 1 1 916 1 1 59 PHE CD2 C 7.781 -2.183 0.586 1.00 . A A . 59 PHE CD2 1 1 1 917 1 1 59 PHE CE1 C 8.825 0.384 0.198 1.00 . A A . 59 PHE CE1 1 1 1 918 1 1 59 PHE CE2 C 8.458 -1.873 -0.599 1.00 . A A . 59 PHE CE2 1 1 1 919 1 1 59 PHE CG C 7.625 -1.208 1.580 1.00 . A A . 59 PHE CG 1 1 1 920 1 1 59 PHE CZ C 8.980 -0.588 -0.793 1.00 . A A . 59 PHE CZ 1 1 1 921 1 1 59 PHE H H 6.210 -2.254 5.238 1.00 . A A . 59 PHE H 1 1 1 922 1 1 59 PHE HA H 8.688 -2.319 3.745 1.00 . A A . 59 PHE HA 1 1 1 923 1 1 59 PHE HB2 H 6.375 -2.486 2.743 1.00 . A A . 59 PHE HB2 1 1 1 924 1 1 59 PHE HB3 H 6.172 -0.767 3.076 1.00 . A A . 59 PHE HB3 1 1 1 925 1 1 59 PHE HD1 H 8.034 0.827 2.144 1.00 . A A . 59 PHE HD1 1 1 1 926 1 1 59 PHE HD2 H 7.375 -3.172 0.733 1.00 . A A . 59 PHE HD2 1 1 1 927 1 1 59 PHE HE1 H 9.228 1.376 0.049 1.00 . A A . 59 PHE HE1 1 1 1 928 1 1 59 PHE HE2 H 8.579 -2.624 -1.363 1.00 . A A . 59 PHE HE2 1 1 1 929 1 1 59 PHE HZ H 9.503 -0.350 -1.708 1.00 . A A . 59 PHE HZ 1 1 1 930 1 1 59 PHE N N 7.189 -2.192 5.226 1.00 . A A . 59 PHE N 1 1 1 931 1 1 59 PHE O O 9.558 0.061 3.922 1.00 . A A . 59 PHE O 1 1 1 932 1 1 60 TYR C C 9.070 1.943 6.617 1.00 . A A . 60 TYR C 1 1 1 933 1 1 60 TYR CA C 8.249 1.932 5.319 1.00 . A A . 60 TYR CA 1 1 1 934 1 1 60 TYR CB C 7.071 2.898 5.454 1.00 . A A . 60 TYR CB 1 1 1 935 1 1 60 TYR CD1 C 6.156 2.485 7.764 1.00 . A A . 60 TYR CD1 1 1 1 936 1 1 60 TYR CD2 C 7.485 4.475 7.377 1.00 . A A . 60 TYR CD2 1 1 1 937 1 1 60 TYR CE1 C 5.995 2.853 9.105 1.00 . A A . 60 TYR CE1 1 1 1 938 1 1 60 TYR CE2 C 7.324 4.844 8.718 1.00 . A A . 60 TYR CE2 1 1 1 939 1 1 60 TYR CG C 6.901 3.295 6.901 1.00 . A A . 60 TYR CG 1 1 1 940 1 1 60 TYR CZ C 6.579 4.033 9.582 1.00 . A A . 60 TYR CZ 1 1 1 941 1 1 60 TYR H H 6.843 0.295 5.332 1.00 . A A . 60 TYR H 1 1 1 942 1 1 60 TYR HA H 8.877 2.257 4.503 1.00 . A A . 60 TYR HA 1 1 1 943 1 1 60 TYR HB2 H 7.259 3.780 4.859 1.00 . A A . 60 TYR HB2 1 1 1 944 1 1 60 TYR HB3 H 6.169 2.416 5.106 1.00 . A A . 60 TYR HB3 1 1 1 945 1 1 60 TYR HD1 H 5.706 1.575 7.397 1.00 . A A . 60 TYR HD1 1 1 1 946 1 1 60 TYR HD2 H 8.060 5.100 6.710 1.00 . A A . 60 TYR HD2 1 1 1 947 1 1 60 TYR HE1 H 5.420 2.226 9.772 1.00 . A A . 60 TYR HE1 1 1 1 948 1 1 60 TYR HE2 H 7.774 5.754 9.086 1.00 . A A . 60 TYR HE2 1 1 1 949 1 1 60 TYR HH H 6.351 5.353 10.943 1.00 . A A . 60 TYR HH 1 1 1 950 1 1 60 TYR N N 7.733 0.563 5.022 1.00 . A A . 60 TYR N 1 1 1 951 1 1 60 TYR O O 9.708 2.924 6.937 1.00 . A A . 60 TYR O 1 1 1 952 1 1 60 TYR OH O 6.420 4.396 10.903 1.00 . A A . 60 TYR OH 1 1 1 953 1 1 61 SER C C 11.253 0.305 8.395 1.00 . A A . 61 SER C 1 1 1 954 1 1 61 SER CA C 9.850 0.870 8.642 1.00 . A A . 61 SER CA 1 1 1 955 1 1 61 SER CB C 9.136 0.011 9.685 1.00 . A A . 61 SER CB 1 1 1 956 1 1 61 SER H H 8.542 0.090 7.118 1.00 . A A . 61 SER H 1 1 1 957 1 1 61 SER HA H 9.934 1.881 9.013 1.00 . A A . 61 SER HA 1 1 1 958 1 1 61 SER HB2 H 8.104 -0.116 9.406 1.00 . A A . 61 SER HB2 1 1 1 959 1 1 61 SER HB3 H 9.614 -0.959 9.740 1.00 . A A . 61 SER HB3 1 1 1 960 1 1 61 SER HG H 8.925 0.027 11.619 1.00 . A A . 61 SER HG 1 1 1 961 1 1 61 SER N N 9.062 0.877 7.374 1.00 . A A . 61 SER N 1 1 1 962 1 1 61 SER O O 12.241 0.861 8.832 1.00 . A A . 61 SER O 1 1 1 963 1 1 61 SER OG O 9.203 0.657 10.950 1.00 . A A . 61 SER OG 1 1 1 964 1 1 62 HIS C C 13.299 -0.932 6.170 1.00 . A A . 62 HIS C 1 1 1 965 1 1 62 HIS CA C 12.684 -1.432 7.482 1.00 . A A . 62 HIS CA 1 1 1 966 1 1 62 HIS CB C 12.525 -2.952 7.414 1.00 . A A . 62 HIS CB 1 1 1 967 1 1 62 HIS CD2 C 12.364 -3.308 10.012 1.00 . A A . 62 HIS CD2 1 1 1 968 1 1 62 HIS CE1 C 13.855 -4.868 10.209 1.00 . A A . 62 HIS CE1 1 1 1 969 1 1 62 HIS CG C 12.852 -3.554 8.752 1.00 . A A . 62 HIS CG 1 1 1 970 1 1 62 HIS H H 10.536 -1.257 7.401 1.00 . A A . 62 HIS H 1 1 1 971 1 1 62 HIS HA H 13.342 -1.185 8.300 1.00 . A A . 62 HIS HA 1 1 1 972 1 1 62 HIS HB2 H 11.507 -3.196 7.148 1.00 . A A . 62 HIS HB2 1 1 1 973 1 1 62 HIS HB3 H 13.196 -3.351 6.667 1.00 . A A . 62 HIS HB3 1 1 1 974 1 1 62 HIS HD1 H 14.337 -4.954 8.187 1.00 . A A . 62 HIS HD1 1 1 1 975 1 1 62 HIS HD2 H 11.603 -2.580 10.254 1.00 . A A . 62 HIS HD2 1 1 1 976 1 1 62 HIS HE1 H 14.510 -5.620 10.625 1.00 . A A . 62 HIS HE1 1 1 1 977 1 1 62 HIS N N 11.346 -0.813 7.724 1.00 . A A . 62 HIS N 1 1 1 978 1 1 62 HIS ND1 N 13.801 -4.552 8.902 1.00 . A A . 62 HIS ND1 1 1 1 979 1 1 62 HIS NE2 N 12.999 -4.139 10.930 1.00 . A A . 62 HIS NE2 1 1 1 980 1 1 62 HIS O O 14.384 -0.386 6.156 1.00 . A A . 62 HIS O 1 1 1 981 1 1 63 HIS C C 13.400 0.825 3.728 1.00 . A A . 63 HIS C 1 1 1 982 1 1 63 HIS CA C 13.211 -0.697 3.757 1.00 . A A . 63 HIS CA 1 1 1 983 1 1 63 HIS CB C 12.278 -1.115 2.619 1.00 . A A . 63 HIS CB 1 1 1 984 1 1 63 HIS CD2 C 11.157 -3.491 2.584 1.00 . A A . 63 HIS CD2 1 1 1 985 1 1 63 HIS CE1 C 12.955 -4.685 2.399 1.00 . A A . 63 HIS CE1 1 1 1 986 1 1 63 HIS CG C 12.213 -2.615 2.550 1.00 . A A . 63 HIS CG 1 1 1 987 1 1 63 HIS H H 11.772 -1.600 5.089 1.00 . A A . 63 HIS H 1 1 1 988 1 1 63 HIS HA H 14.169 -1.173 3.617 1.00 . A A . 63 HIS HA 1 1 1 989 1 1 63 HIS HB2 H 11.292 -0.718 2.796 1.00 . A A . 63 HIS HB2 1 1 1 990 1 1 63 HIS HB3 H 12.658 -0.730 1.683 1.00 . A A . 63 HIS HB3 1 1 1 991 1 1 63 HIS HD1 H 14.274 -3.076 2.381 1.00 . A A . 63 HIS HD1 1 1 1 992 1 1 63 HIS HD2 H 10.118 -3.208 2.672 1.00 . A A . 63 HIS HD2 1 1 1 993 1 1 63 HIS HE1 H 13.629 -5.523 2.310 1.00 . A A . 63 HIS HE1 1 1 1 994 1 1 63 HIS N N 12.635 -1.137 5.063 1.00 . A A . 63 HIS N 1 1 1 995 1 1 63 HIS ND1 N 13.350 -3.399 2.432 1.00 . A A . 63 HIS ND1 1 1 1 996 1 1 63 HIS NE2 N 11.628 -4.797 2.488 1.00 . A A . 63 HIS NE2 1 1 1 997 1 1 63 HIS O O 14.159 1.344 2.934 1.00 . A A . 63 HIS O 1 1 1 998 1 1 64 GLU C C 14.348 3.405 4.749 1.00 . A A . 64 GLU C 1 1 1 999 1 1 64 GLU CA C 12.874 3.032 4.569 1.00 . A A . 64 GLU CA 1 1 1 1000 1 1 64 GLU CB C 12.055 3.633 5.713 1.00 . A A . 64 GLU CB 1 1 1 1001 1 1 64 GLU CD C 11.892 5.580 7.272 1.00 . A A . 64 GLU CD 1 1 1 1002 1 1 64 GLU CG C 12.822 4.801 6.340 1.00 . A A . 64 GLU CG 1 1 1 1003 1 1 64 GLU H H 12.106 1.122 5.207 1.00 . A A . 64 GLU H 1 1 1 1004 1 1 64 GLU HA H 12.519 3.426 3.629 1.00 . A A . 64 GLU HA 1 1 1 1005 1 1 64 GLU HB2 H 11.109 3.987 5.327 1.00 . A A . 64 GLU HB2 1 1 1 1006 1 1 64 GLU HB3 H 11.880 2.876 6.461 1.00 . A A . 64 GLU HB3 1 1 1 1007 1 1 64 GLU HG2 H 13.660 4.419 6.905 1.00 . A A . 64 GLU HG2 1 1 1 1008 1 1 64 GLU HG3 H 13.180 5.457 5.561 1.00 . A A . 64 GLU HG3 1 1 1 1009 1 1 64 GLU N N 12.720 1.549 4.575 1.00 . A A . 64 GLU N 1 1 1 1010 1 1 64 GLU O O 14.806 4.417 4.257 1.00 . A A . 64 GLU O 1 1 1 1011 1 1 64 GLU OE1 O 10.831 5.066 7.586 1.00 . A A . 64 GLU OE1 1 1 1 1012 1 1 64 GLU OE2 O 12.258 6.679 7.657 1.00 . A A . 64 GLU OE2 1 1 1 1013 1 1 65 LYS C C 17.399 1.717 5.299 1.00 . A A . 65 LYS C 1 1 1 1014 1 1 65 LYS CA C 16.533 2.925 5.676 1.00 . A A . 65 LYS CA 1 1 1 1015 1 1 65 LYS CB C 16.747 3.283 7.150 1.00 . A A . 65 LYS CB 1 1 1 1016 1 1 65 LYS CD C 17.966 4.812 8.702 1.00 . A A . 65 LYS CD 1 1 1 1017 1 1 65 LYS CE C 19.318 5.527 8.743 1.00 . A A . 65 LYS CE 1 1 1 1018 1 1 65 LYS CG C 17.557 4.577 7.248 1.00 . A A . 65 LYS CG 1 1 1 1019 1 1 65 LYS H H 14.706 1.797 5.855 1.00 . A A . 65 LYS H 1 1 1 1020 1 1 65 LYS HA H 16.807 3.768 5.060 1.00 . A A . 65 LYS HA 1 1 1 1021 1 1 65 LYS HB2 H 15.788 3.421 7.628 1.00 . A A . 65 LYS HB2 1 1 1 1022 1 1 65 LYS HB3 H 17.282 2.487 7.645 1.00 . A A . 65 LYS HB3 1 1 1 1023 1 1 65 LYS HD2 H 17.221 5.422 9.193 1.00 . A A . 65 LYS HD2 1 1 1 1024 1 1 65 LYS HD3 H 18.049 3.863 9.211 1.00 . A A . 65 LYS HD3 1 1 1 1025 1 1 65 LYS HE2 H 20.110 4.806 8.609 1.00 . A A . 65 LYS HE2 1 1 1 1026 1 1 65 LYS HE3 H 19.360 6.260 7.951 1.00 . A A . 65 LYS HE3 1 1 1 1027 1 1 65 LYS HG2 H 18.440 4.496 6.632 1.00 . A A . 65 LYS HG2 1 1 1 1028 1 1 65 LYS HG3 H 16.954 5.405 6.907 1.00 . A A . 65 LYS HG3 1 1 1 1029 1 1 65 LYS HZ1 H 18.619 6.745 10.281 1.00 . A A . 65 LYS HZ1 1 1 1 1030 1 1 65 LYS HZ2 H 19.642 5.495 10.800 1.00 . A A . 65 LYS HZ2 1 1 1 1031 1 1 65 LYS HZ3 H 20.294 6.854 10.017 1.00 . A A . 65 LYS HZ3 1 1 1 1032 1 1 65 LYS N N 15.094 2.603 5.459 1.00 . A A . 65 LYS N 1 1 1 1033 1 1 65 LYS NZ N 19.481 6.207 10.059 1.00 . A A . 65 LYS NZ 1 1 1 1034 1 1 65 LYS O O 18.227 1.269 6.067 1.00 . A A . 65 LYS O 1 1 1 1035 1 1 66 ASP C C 18.912 0.407 2.504 1.00 . A A . 66 ASP C 1 1 1 1036 1 1 66 ASP CA C 18.039 0.018 3.699 1.00 . A A . 66 ASP CA 1 1 1 1037 1 1 66 ASP CB C 17.118 -1.135 3.299 1.00 . A A . 66 ASP CB 1 1 1 1038 1 1 66 ASP CG C 17.347 -2.321 4.237 1.00 . A A . 66 ASP CG 1 1 1 1039 1 1 66 ASP H H 16.552 1.567 3.509 1.00 . A A . 66 ASP H 1 1 1 1040 1 1 66 ASP HA H 18.670 -0.293 4.518 1.00 . A A . 66 ASP HA 1 1 1 1041 1 1 66 ASP HB2 H 16.091 -0.812 3.368 1.00 . A A . 66 ASP HB2 1 1 1 1042 1 1 66 ASP HB3 H 17.335 -1.434 2.284 1.00 . A A . 66 ASP HB3 1 1 1 1043 1 1 66 ASP N N 17.221 1.191 4.119 1.00 . A A . 66 ASP N 1 1 1 1044 1 1 66 ASP O O 18.449 0.993 1.546 1.00 . A A . 66 ASP O 1 1 1 1045 1 1 66 ASP OD1 O 17.637 -2.086 5.398 1.00 . A A . 66 ASP OD1 1 1 1 1046 1 1 66 ASP OD2 O 17.229 -3.445 3.778 1.00 . A A . 66 ASP OD2 1 1 1 1047 1 1 67 THR C C 20.517 -0.193 0.122 1.00 . A A . 67 THR C 1 1 1 1048 1 1 67 THR CA C 21.073 0.424 1.410 1.00 . A A . 67 THR CA 1 1 1 1049 1 1 67 THR CB C 22.497 -0.114 1.649 1.00 . A A . 67 THR CB 1 1 1 1050 1 1 67 THR CG2 C 23.491 1.047 1.613 1.00 . A A . 67 THR CG2 1 1 1 1051 1 1 67 THR H H 20.518 -0.400 3.331 1.00 . A A . 67 THR H 1 1 1 1052 1 1 67 THR HA H 21.111 1.498 1.304 1.00 . A A . 67 THR HA 1 1 1 1053 1 1 67 THR HB H 22.748 -0.815 0.869 1.00 . A A . 67 THR HB 1 1 1 1054 1 1 67 THR HG1 H 23.459 -0.622 3.260 1.00 . A A . 67 THR HG1 1 1 1 1055 1 1 67 THR HG21 H 23.104 1.871 2.193 1.00 . A A . 67 THR HG21 1 1 1 1056 1 1 67 THR HG22 H 24.434 0.725 2.029 1.00 . A A . 67 THR HG22 1 1 1 1057 1 1 67 THR HG23 H 23.637 1.364 0.591 1.00 . A A . 67 THR HG23 1 1 1 1058 1 1 67 THR N N 20.172 0.076 2.552 1.00 . A A . 67 THR N 1 1 1 1059 1 1 67 THR O O 20.763 0.290 -0.966 1.00 . A A . 67 THR O 1 1 1 1060 1 1 67 THR OG1 O 22.577 -0.764 2.909 1.00 . A A . 67 THR OG1 1 1 1 1061 1 1 68 ARG C C 18.450 -0.901 -1.831 1.00 . A A . 68 ARG C 1 1 1 1062 1 1 68 ARG CA C 19.202 -1.922 -0.970 1.00 . A A . 68 ARG CA 1 1 1 1063 1 1 68 ARG CB C 18.224 -3.013 -0.531 1.00 . A A . 68 ARG CB 1 1 1 1064 1 1 68 ARG CD C 17.946 -5.450 -0.093 1.00 . A A . 68 ARG CD 1 1 1 1065 1 1 68 ARG CG C 18.965 -4.340 -0.360 1.00 . A A . 68 ARG CG 1 1 1 1066 1 1 68 ARG CZ C 19.662 -7.074 0.597 1.00 . A A . 68 ARG CZ 1 1 1 1067 1 1 68 ARG H H 19.593 -1.638 1.124 1.00 . A A . 68 ARG H 1 1 1 1068 1 1 68 ARG HA H 19.998 -2.365 -1.550 1.00 . A A . 68 ARG HA 1 1 1 1069 1 1 68 ARG HB2 H 17.770 -2.731 0.407 1.00 . A A . 68 ARG HB2 1 1 1 1070 1 1 68 ARG HB3 H 17.455 -3.128 -1.281 1.00 . A A . 68 ARG HB3 1 1 1 1071 1 1 68 ARG HD2 H 17.080 -5.027 0.381 1.00 . A A . 68 ARG HD2 1 1 1 1072 1 1 68 ARG HD3 H 17.648 -5.901 -1.037 1.00 . A A . 68 ARG HD3 1 1 1 1073 1 1 68 ARG HE H 18.079 -6.631 1.702 1.00 . A A . 68 ARG HE 1 1 1 1074 1 1 68 ARG HG2 H 19.519 -4.558 -1.261 1.00 . A A . 68 ARG HG2 1 1 1 1075 1 1 68 ARG HG3 H 19.645 -4.268 0.475 1.00 . A A . 68 ARG HG3 1 1 1 1076 1 1 68 ARG HH11 H 19.810 -6.466 -1.311 1.00 . A A . 68 ARG HH11 1 1 1 1077 1 1 68 ARG HH12 H 21.100 -7.463 -0.742 1.00 . A A . 68 ARG HH12 1 1 1 1078 1 1 68 ARG HH21 H 19.739 -7.946 2.398 1.00 . A A . 68 ARG HH21 1 1 1 1079 1 1 68 ARG HH22 H 21.056 -8.307 1.333 1.00 . A A . 68 ARG HH22 1 1 1 1080 1 1 68 ARG N N 19.773 -1.262 0.238 1.00 . A A . 68 ARG N 1 1 1 1081 1 1 68 ARG NE N 18.529 -6.462 0.848 1.00 . A A . 68 ARG NE 1 1 1 1082 1 1 68 ARG NH1 N 20.233 -6.993 -0.579 1.00 . A A . 68 ARG NH1 1 1 1 1083 1 1 68 ARG NH2 N 20.195 -7.835 1.514 1.00 . A A . 68 ARG NH2 1 1 1 1084 1 1 68 ARG O O 18.808 -0.647 -2.963 1.00 . A A . 68 ARG O 1 1 1 1085 1 1 69 CYS C C 17.400 1.949 -2.298 1.00 . A A . 69 CYS C 1 1 1 1086 1 1 69 CYS CA C 16.607 0.654 -2.107 1.00 . A A . 69 CYS CA 1 1 1 1087 1 1 69 CYS CB C 15.292 0.961 -1.386 1.00 . A A . 69 CYS CB 1 1 1 1088 1 1 69 CYS H H 17.116 -0.561 -0.399 1.00 . A A . 69 CYS H 1 1 1 1089 1 1 69 CYS HA H 16.387 0.227 -3.075 1.00 . A A . 69 CYS HA 1 1 1 1090 1 1 69 CYS HB2 H 14.907 0.056 -0.937 1.00 . A A . 69 CYS HB2 1 1 1 1091 1 1 69 CYS HB3 H 15.468 1.698 -0.617 1.00 . A A . 69 CYS HB3 1 1 1 1092 1 1 69 CYS N N 17.396 -0.331 -1.310 1.00 . A A . 69 CYS N 1 1 1 1093 1 1 69 CYS O O 17.206 2.665 -3.260 1.00 . A A . 69 CYS O 1 1 1 1094 1 1 69 CYS SG S 14.089 1.604 -2.578 1.00 . A A . 69 CYS SG 1 1 1 1095 1 1 70 LEU C C 19.788 3.513 -2.905 1.00 . A A . 70 LEU C 1 1 1 1096 1 1 70 LEU CA C 19.080 3.520 -1.549 1.00 . A A . 70 LEU CA 1 1 1 1097 1 1 70 LEU CB C 20.125 3.616 -0.435 1.00 . A A . 70 LEU CB 1 1 1 1098 1 1 70 LEU CD1 C 20.550 4.312 1.927 1.00 . A A . 70 LEU CD1 1 1 1 1099 1 1 70 LEU CD2 C 19.098 5.716 0.462 1.00 . A A . 70 LEU CD2 1 1 1 1100 1 1 70 LEU CG C 19.514 4.281 0.802 1.00 . A A . 70 LEU CG 1 1 1 1101 1 1 70 LEU H H 18.436 1.679 -0.624 1.00 . A A . 70 LEU H 1 1 1 1102 1 1 70 LEU HA H 18.415 4.369 -1.497 1.00 . A A . 70 LEU HA 1 1 1 1103 1 1 70 LEU HB2 H 20.465 2.624 -0.179 1.00 . A A . 70 LEU HB2 1 1 1 1104 1 1 70 LEU HB3 H 20.963 4.204 -0.779 1.00 . A A . 70 LEU HB3 1 1 1 1105 1 1 70 LEU HD11 H 21.427 3.759 1.624 1.00 . A A . 70 LEU HD11 1 1 1 1106 1 1 70 LEU HD12 H 20.824 5.337 2.135 1.00 . A A . 70 LEU HD12 1 1 1 1107 1 1 70 LEU HD13 H 20.131 3.865 2.816 1.00 . A A . 70 LEU HD13 1 1 1 1108 1 1 70 LEU HD21 H 19.596 6.030 -0.444 1.00 . A A . 70 LEU HD21 1 1 1 1109 1 1 70 LEU HD22 H 18.028 5.756 0.316 1.00 . A A . 70 LEU HD22 1 1 1 1110 1 1 70 LEU HD23 H 19.375 6.374 1.271 1.00 . A A . 70 LEU HD23 1 1 1 1111 1 1 70 LEU HG H 18.649 3.718 1.123 1.00 . A A . 70 LEU HG 1 1 1 1112 1 1 70 LEU N N 18.290 2.263 -1.396 1.00 . A A . 70 LEU N 1 1 1 1113 1 1 70 LEU O O 19.439 4.253 -3.802 1.00 . A A . 70 LEU O 1 1 1 1114 1 1 71 GLY C C 22.951 3.112 -4.151 1.00 . A A . 71 GLY C 1 1 1 1115 1 1 71 GLY CA C 21.514 2.629 -4.355 1.00 . A A . 71 GLY CA 1 1 1 1116 1 1 71 GLY H H 21.049 2.095 -2.321 1.00 . A A . 71 GLY H 1 1 1 1117 1 1 71 GLY HA2 H 21.523 1.612 -4.721 1.00 . A A . 71 GLY HA2 1 1 1 1118 1 1 71 GLY HA3 H 21.023 3.268 -5.073 1.00 . A A . 71 GLY HA3 1 1 1 1119 1 1 71 GLY N N 20.782 2.682 -3.059 1.00 . A A . 71 GLY N 1 1 1 1120 1 1 71 GLY O O 23.661 2.632 -3.288 1.00 . A A . 71 GLY O 1 1 1 1121 1 1 72 ALA C C 24.869 5.969 -5.407 1.00 . A A . 72 ALA C 1 1 1 1122 1 1 72 ALA CA C 24.775 4.574 -4.786 1.00 . A A . 72 ALA CA 1 1 1 1123 1 1 72 ALA CB C 25.748 3.630 -5.498 1.00 . A A . 72 ALA CB 1 1 1 1124 1 1 72 ALA H H 22.797 4.433 -5.624 1.00 . A A . 72 ALA H 1 1 1 1125 1 1 72 ALA HA H 25.029 4.629 -3.737 1.00 . A A . 72 ALA HA 1 1 1 1126 1 1 72 ALA HB1 H 25.201 2.793 -5.907 1.00 . A A . 72 ALA HB1 1 1 1 1127 1 1 72 ALA HB2 H 26.244 4.159 -6.297 1.00 . A A . 72 ALA HB2 1 1 1 1128 1 1 72 ALA HB3 H 26.482 3.271 -4.793 1.00 . A A . 72 ALA HB3 1 1 1 1129 1 1 72 ALA N N 23.385 4.059 -4.936 1.00 . A A . 72 ALA N 1 1 1 1130 1 1 72 ALA O O 25.880 6.345 -5.965 1.00 . A A . 72 ALA O 1 1 1 1131 1 1 73 THR C C 23.136 9.083 -4.969 1.00 . A A . 73 THR C 1 1 1 1132 1 1 73 THR CA C 23.847 8.107 -5.905 1.00 . A A . 73 THR CA 1 1 1 1133 1 1 73 THR CB C 23.127 8.093 -7.255 1.00 . A A . 73 THR CB 1 1 1 1134 1 1 73 THR CG2 C 24.104 7.683 -8.357 1.00 . A A . 73 THR CG2 1 1 1 1135 1 1 73 THR H H 23.013 6.416 -4.864 1.00 . A A . 73 THR H 1 1 1 1136 1 1 73 THR HA H 24.871 8.420 -6.046 1.00 . A A . 73 THR HA 1 1 1 1137 1 1 73 THR HB H 22.743 9.080 -7.469 1.00 . A A . 73 THR HB 1 1 1 1138 1 1 73 THR HG1 H 21.892 6.846 -8.096 1.00 . A A . 73 THR HG1 1 1 1 1139 1 1 73 THR HG21 H 25.094 8.037 -8.110 1.00 . A A . 73 THR HG21 1 1 1 1140 1 1 73 THR HG22 H 24.117 6.607 -8.444 1.00 . A A . 73 THR HG22 1 1 1 1141 1 1 73 THR HG23 H 23.790 8.116 -9.295 1.00 . A A . 73 THR HG23 1 1 1 1142 1 1 73 THR N N 23.819 6.738 -5.317 1.00 . A A . 73 THR N 1 1 1 1143 1 1 73 THR O O 22.341 8.695 -4.136 1.00 . A A . 73 THR O 1 1 1 1144 1 1 73 THR OG1 O 22.050 7.167 -7.205 1.00 . A A . 73 THR OG1 1 1 1 1145 1 1 74 ALA C C 21.323 11.609 -4.762 1.00 . A A . 74 ALA C 1 1 1 1146 1 1 74 ALA CA C 22.736 11.355 -4.234 1.00 . A A . 74 ALA CA 1 1 1 1147 1 1 74 ALA CB C 23.533 12.662 -4.252 1.00 . A A . 74 ALA CB 1 1 1 1148 1 1 74 ALA H H 24.045 10.645 -5.790 1.00 . A A . 74 ALA H 1 1 1 1149 1 1 74 ALA HA H 22.682 10.977 -3.223 1.00 . A A . 74 ALA HA 1 1 1 1150 1 1 74 ALA HB1 H 24.540 12.474 -3.908 1.00 . A A . 74 ALA HB1 1 1 1 1151 1 1 74 ALA HB2 H 23.563 13.052 -5.258 1.00 . A A . 74 ALA HB2 1 1 1 1152 1 1 74 ALA HB3 H 23.058 13.382 -3.600 1.00 . A A . 74 ALA HB3 1 1 1 1153 1 1 74 ALA N N 23.406 10.352 -5.106 1.00 . A A . 74 ALA N 1 1 1 1154 1 1 74 ALA O O 20.416 11.922 -4.016 1.00 . A A . 74 ALA O 1 1 1 1155 1 1 75 GLN C C 18.804 10.651 -6.084 1.00 . A A . 75 GLN C 1 1 1 1156 1 1 75 GLN CA C 19.775 11.698 -6.629 1.00 . A A . 75 GLN CA 1 1 1 1157 1 1 75 GLN CB C 19.849 11.569 -8.153 1.00 . A A . 75 GLN CB 1 1 1 1158 1 1 75 GLN CD C 19.942 12.888 -10.267 1.00 . A A . 75 GLN CD 1 1 1 1159 1 1 75 GLN CG C 20.233 12.916 -8.766 1.00 . A A . 75 GLN CG 1 1 1 1160 1 1 75 GLN H H 21.872 11.216 -6.631 1.00 . A A . 75 GLN H 1 1 1 1161 1 1 75 GLN HA H 19.429 12.686 -6.367 1.00 . A A . 75 GLN HA 1 1 1 1162 1 1 75 GLN HB2 H 20.592 10.829 -8.413 1.00 . A A . 75 GLN HB2 1 1 1 1163 1 1 75 GLN HB3 H 18.887 11.262 -8.534 1.00 . A A . 75 GLN HB3 1 1 1 1164 1 1 75 GLN HE21 H 21.411 14.144 -10.721 1.00 . A A . 75 GLN HE21 1 1 1 1165 1 1 75 GLN HE22 H 20.497 13.590 -12.040 1.00 . A A . 75 GLN HE22 1 1 1 1166 1 1 75 GLN HG2 H 19.656 13.703 -8.296 1.00 . A A . 75 GLN HG2 1 1 1 1167 1 1 75 GLN HG3 H 21.284 13.099 -8.612 1.00 . A A . 75 GLN HG3 1 1 1 1168 1 1 75 GLN N N 21.127 11.472 -6.048 1.00 . A A . 75 GLN N 1 1 1 1169 1 1 75 GLN NE2 N 20.679 13.598 -11.076 1.00 . A A . 75 GLN NE2 1 1 1 1170 1 1 75 GLN O O 17.727 10.970 -5.624 1.00 . A A . 75 GLN O 1 1 1 1171 1 1 75 GLN OE1 O 19.030 12.218 -10.709 1.00 . A A . 75 GLN OE1 1 1 1 1172 1 1 76 GLN C C 18.035 8.511 -4.118 1.00 . A A . 76 GLN C 1 1 1 1173 1 1 76 GLN CA C 18.274 8.330 -5.623 1.00 . A A . 76 GLN CA 1 1 1 1174 1 1 76 GLN CB C 18.907 6.961 -5.882 1.00 . A A . 76 GLN CB 1 1 1 1175 1 1 76 GLN CD C 18.901 4.983 -7.411 1.00 . A A . 76 GLN CD 1 1 1 1176 1 1 76 GLN CG C 18.179 6.281 -7.043 1.00 . A A . 76 GLN CG 1 1 1 1177 1 1 76 GLN H H 20.050 9.166 -6.514 1.00 . A A . 76 GLN H 1 1 1 1178 1 1 76 GLN HA H 17.328 8.387 -6.141 1.00 . A A . 76 GLN HA 1 1 1 1179 1 1 76 GLN HB2 H 19.950 7.089 -6.133 1.00 . A A . 76 GLN HB2 1 1 1 1180 1 1 76 GLN HB3 H 18.819 6.350 -4.996 1.00 . A A . 76 GLN HB3 1 1 1 1181 1 1 76 GLN HE21 H 17.275 4.125 -8.158 1.00 . A A . 76 GLN HE21 1 1 1 1182 1 1 76 GLN HE22 H 18.684 3.181 -8.216 1.00 . A A . 76 GLN HE22 1 1 1 1183 1 1 76 GLN HG2 H 17.164 6.056 -6.748 1.00 . A A . 76 GLN HG2 1 1 1 1184 1 1 76 GLN HG3 H 18.168 6.940 -7.898 1.00 . A A . 76 GLN HG3 1 1 1 1185 1 1 76 GLN N N 19.177 9.400 -6.135 1.00 . A A . 76 GLN N 1 1 1 1186 1 1 76 GLN NE2 N 18.231 4.016 -7.975 1.00 . A A . 76 GLN NE2 1 1 1 1187 1 1 76 GLN O O 17.120 7.940 -3.562 1.00 . A A . 76 GLN O 1 1 1 1188 1 1 76 GLN OE1 O 20.087 4.849 -7.186 1.00 . A A . 76 GLN OE1 1 1 1 1189 1 1 77 PHE C C 17.445 10.442 -1.779 1.00 . A A . 77 PHE C 1 1 1 1190 1 1 77 PHE CA C 18.635 9.500 -1.989 1.00 . A A . 77 PHE CA 1 1 1 1191 1 1 77 PHE CB C 19.895 10.125 -1.384 1.00 . A A . 77 PHE CB 1 1 1 1192 1 1 77 PHE CD1 C 19.399 10.146 1.087 1.00 . A A . 77 PHE CD1 1 1 1 1193 1 1 77 PHE CD2 C 21.020 8.556 0.236 1.00 . A A . 77 PHE CD2 1 1 1 1194 1 1 77 PHE CE1 C 19.600 9.656 2.384 1.00 . A A . 77 PHE CE1 1 1 1 1195 1 1 77 PHE CE2 C 21.223 8.067 1.531 1.00 . A A . 77 PHE CE2 1 1 1 1196 1 1 77 PHE CG C 20.109 9.595 0.014 1.00 . A A . 77 PHE CG 1 1 1 1197 1 1 77 PHE CZ C 20.513 8.617 2.606 1.00 . A A . 77 PHE CZ 1 1 1 1198 1 1 77 PHE H H 19.578 9.750 -3.904 1.00 . A A . 77 PHE H 1 1 1 1199 1 1 77 PHE HA H 18.435 8.551 -1.512 1.00 . A A . 77 PHE HA 1 1 1 1200 1 1 77 PHE HB2 H 20.748 9.877 -1.997 1.00 . A A . 77 PHE HB2 1 1 1 1201 1 1 77 PHE HB3 H 19.779 11.198 -1.346 1.00 . A A . 77 PHE HB3 1 1 1 1202 1 1 77 PHE HD1 H 18.696 10.947 0.916 1.00 . A A . 77 PHE HD1 1 1 1 1203 1 1 77 PHE HD2 H 21.568 8.132 -0.594 1.00 . A A . 77 PHE HD2 1 1 1 1204 1 1 77 PHE HE1 H 19.053 10.080 3.213 1.00 . A A . 77 PHE HE1 1 1 1 1205 1 1 77 PHE HE2 H 21.927 7.266 1.703 1.00 . A A . 77 PHE HE2 1 1 1 1206 1 1 77 PHE HZ H 20.669 8.240 3.606 1.00 . A A . 77 PHE HZ 1 1 1 1207 1 1 77 PHE N N 18.841 9.295 -3.450 1.00 . A A . 77 PHE N 1 1 1 1208 1 1 77 PHE O O 16.601 10.221 -0.932 1.00 . A A . 77 PHE O 1 1 1 1209 1 1 78 HIS C C 14.950 11.814 -2.895 1.00 . A A . 78 HIS C 1 1 1 1210 1 1 78 HIS CA C 16.251 12.461 -2.410 1.00 . A A . 78 HIS CA 1 1 1 1211 1 1 78 HIS CB C 16.552 13.701 -3.254 1.00 . A A . 78 HIS CB 1 1 1 1212 1 1 78 HIS CD2 C 15.434 15.842 -2.218 1.00 . A A . 78 HIS CD2 1 1 1 1213 1 1 78 HIS CE1 C 13.560 15.774 -3.304 1.00 . A A . 78 HIS CE1 1 1 1 1214 1 1 78 HIS CG C 15.487 14.739 -3.034 1.00 . A A . 78 HIS CG 1 1 1 1215 1 1 78 HIS H H 18.070 11.648 -3.225 1.00 . A A . 78 HIS H 1 1 1 1216 1 1 78 HIS HA H 16.147 12.747 -1.375 1.00 . A A . 78 HIS HA 1 1 1 1217 1 1 78 HIS HB2 H 17.512 14.106 -2.966 1.00 . A A . 78 HIS HB2 1 1 1 1218 1 1 78 HIS HB3 H 16.577 13.427 -4.299 1.00 . A A . 78 HIS HB3 1 1 1 1219 1 1 78 HIS HD1 H 14.004 14.051 -4.381 1.00 . A A . 78 HIS HD1 1 1 1 1220 1 1 78 HIS HD2 H 16.219 16.156 -1.545 1.00 . A A . 78 HIS HD2 1 1 1 1221 1 1 78 HIS HE1 H 12.572 16.014 -3.667 1.00 . A A . 78 HIS HE1 1 1 1 1222 1 1 78 HIS N N 17.377 11.494 -2.549 1.00 . A A . 78 HIS N 1 1 1 1223 1 1 78 HIS ND1 N 14.281 14.716 -3.717 1.00 . A A . 78 HIS ND1 1 1 1 1224 1 1 78 HIS NE2 N 14.217 16.495 -2.390 1.00 . A A . 78 HIS NE2 1 1 1 1225 1 1 78 HIS O O 13.892 12.025 -2.336 1.00 . A A . 78 HIS O 1 1 1 1226 1 1 79 ARG C C 13.299 9.329 -3.440 1.00 . A A . 79 ARG C 1 1 1 1227 1 1 79 ARG CA C 13.800 10.355 -4.461 1.00 . A A . 79 ARG CA 1 1 1 1228 1 1 79 ARG CB C 14.151 9.632 -5.763 1.00 . A A . 79 ARG CB 1 1 1 1229 1 1 79 ARG CD C 13.518 9.369 -8.155 1.00 . A A . 79 ARG CD 1 1 1 1230 1 1 79 ARG CG C 13.457 10.308 -6.949 1.00 . A A . 79 ARG CG 1 1 1 1231 1 1 79 ARG CZ C 13.496 11.202 -9.798 1.00 . A A . 79 ARG CZ 1 1 1 1232 1 1 79 ARG H H 15.889 10.870 -4.361 1.00 . A A . 79 ARG H 1 1 1 1233 1 1 79 ARG HA H 13.032 11.092 -4.647 1.00 . A A . 79 ARG HA 1 1 1 1234 1 1 79 ARG HB2 H 15.220 9.661 -5.911 1.00 . A A . 79 ARG HB2 1 1 1 1235 1 1 79 ARG HB3 H 13.826 8.604 -5.699 1.00 . A A . 79 ARG HB3 1 1 1 1236 1 1 79 ARG HD2 H 14.192 8.561 -7.941 1.00 . A A . 79 ARG HD2 1 1 1 1237 1 1 79 ARG HD3 H 12.527 8.961 -8.343 1.00 . A A . 79 ARG HD3 1 1 1 1238 1 1 79 ARG HE H 14.873 9.779 -9.776 1.00 . A A . 79 ARG HE 1 1 1 1239 1 1 79 ARG HG2 H 12.427 10.513 -6.699 1.00 . A A . 79 ARG HG2 1 1 1 1240 1 1 79 ARG HG3 H 13.965 11.231 -7.188 1.00 . A A . 79 ARG HG3 1 1 1 1241 1 1 79 ARG HH11 H 11.862 11.105 -8.632 1.00 . A A . 79 ARG HH11 1 1 1 1242 1 1 79 ARG HH12 H 11.942 12.461 -9.699 1.00 . A A . 79 ARG HH12 1 1 1 1243 1 1 79 ARG HH21 H 14.935 11.527 -11.153 1.00 . A A . 79 ARG HH21 1 1 1 1244 1 1 79 ARG HH22 H 13.658 12.698 -11.120 1.00 . A A . 79 ARG HH22 1 1 1 1245 1 1 79 ARG N N 15.024 11.025 -3.930 1.00 . A A . 79 ARG N 1 1 1 1246 1 1 79 ARG NE N 14.054 10.104 -9.347 1.00 . A A . 79 ARG NE 1 1 1 1247 1 1 79 ARG NH1 N 12.344 11.620 -9.337 1.00 . A A . 79 ARG NH1 1 1 1 1248 1 1 79 ARG NH2 N 14.076 11.860 -10.766 1.00 . A A . 79 ARG NH2 1 1 1 1249 1 1 79 ARG O O 12.113 9.172 -3.228 1.00 . A A . 79 ARG O 1 1 1 1250 1 1 80 HIS C C 13.074 8.268 -0.646 1.00 . A A . 80 HIS C 1 1 1 1251 1 1 80 HIS CA C 13.803 7.598 -1.812 1.00 . A A . 80 HIS CA 1 1 1 1252 1 1 80 HIS CB C 15.060 6.892 -1.295 1.00 . A A . 80 HIS CB 1 1 1 1253 1 1 80 HIS CD2 C 15.284 5.207 0.707 1.00 . A A . 80 HIS CD2 1 1 1 1254 1 1 80 HIS CE1 C 13.478 4.064 0.364 1.00 . A A . 80 HIS CE1 1 1 1 1255 1 1 80 HIS CG C 14.675 5.749 -0.398 1.00 . A A . 80 HIS CG 1 1 1 1256 1 1 80 HIS H H 15.148 8.772 -3.009 1.00 . A A . 80 HIS H 1 1 1 1257 1 1 80 HIS HA H 13.150 6.874 -2.276 1.00 . A A . 80 HIS HA 1 1 1 1258 1 1 80 HIS HB2 H 15.629 6.516 -2.133 1.00 . A A . 80 HIS HB2 1 1 1 1259 1 1 80 HIS HB3 H 15.663 7.596 -0.741 1.00 . A A . 80 HIS HB3 1 1 1 1260 1 1 80 HIS HD1 H 12.863 5.137 -1.310 1.00 . A A . 80 HIS HD1 1 1 1 1261 1 1 80 HIS HD2 H 16.212 5.553 1.137 1.00 . A A . 80 HIS HD2 1 1 1 1262 1 1 80 HIS HE1 H 12.685 3.335 0.463 1.00 . A A . 80 HIS HE1 1 1 1 1263 1 1 80 HIS N N 14.202 8.626 -2.815 1.00 . A A . 80 HIS N 1 1 1 1264 1 1 80 HIS ND1 N 13.523 5.004 -0.598 1.00 . A A . 80 HIS ND1 1 1 1 1265 1 1 80 HIS NE2 N 14.527 4.143 1.185 1.00 . A A . 80 HIS NE2 1 1 1 1266 1 1 80 HIS O O 12.109 7.747 -0.122 1.00 . A A . 80 HIS O 1 1 1 1267 1 1 81 LYS C C 11.404 10.411 0.540 1.00 . A A . 81 LYS C 1 1 1 1268 1 1 81 LYS CA C 12.863 10.119 0.901 1.00 . A A . 81 LYS CA 1 1 1 1269 1 1 81 LYS CB C 13.590 11.435 1.183 1.00 . A A . 81 LYS CB 1 1 1 1270 1 1 81 LYS CD C 14.257 13.058 2.960 1.00 . A A . 81 LYS CD 1 1 1 1271 1 1 81 LYS CE C 15.350 12.842 4.008 1.00 . A A . 81 LYS CE 1 1 1 1272 1 1 81 LYS CG C 13.547 11.731 2.683 1.00 . A A . 81 LYS CG 1 1 1 1273 1 1 81 LYS H H 14.311 9.821 -0.667 1.00 . A A . 81 LYS H 1 1 1 1274 1 1 81 LYS HA H 12.896 9.494 1.779 1.00 . A A . 81 LYS HA 1 1 1 1275 1 1 81 LYS HB2 H 14.618 11.353 0.861 1.00 . A A . 81 LYS HB2 1 1 1 1276 1 1 81 LYS HB3 H 13.107 12.236 0.645 1.00 . A A . 81 LYS HB3 1 1 1 1277 1 1 81 LYS HD2 H 14.700 13.426 2.047 1.00 . A A . 81 LYS HD2 1 1 1 1278 1 1 81 LYS HD3 H 13.544 13.778 3.331 1.00 . A A . 81 LYS HD3 1 1 1 1279 1 1 81 LYS HE2 H 14.983 12.184 4.782 1.00 . A A . 81 LYS HE2 1 1 1 1280 1 1 81 LYS HE3 H 16.216 12.398 3.539 1.00 . A A . 81 LYS HE3 1 1 1 1281 1 1 81 LYS HG2 H 12.518 11.798 3.007 1.00 . A A . 81 LYS HG2 1 1 1 1282 1 1 81 LYS HG3 H 14.044 10.939 3.222 1.00 . A A . 81 LYS HG3 1 1 1 1283 1 1 81 LYS HZ1 H 15.001 14.861 4.378 1.00 . A A . 81 LYS HZ1 1 1 1 1284 1 1 81 LYS HZ2 H 15.802 14.053 5.639 1.00 . A A . 81 LYS HZ2 1 1 1 1285 1 1 81 LYS HZ3 H 16.644 14.459 4.224 1.00 . A A . 81 LYS HZ3 1 1 1 1286 1 1 81 LYS N N 13.530 9.418 -0.233 1.00 . A A . 81 LYS N 1 1 1 1287 1 1 81 LYS NZ N 15.728 14.152 4.608 1.00 . A A . 81 LYS NZ 1 1 1 1288 1 1 81 LYS O O 10.526 10.373 1.380 1.00 . A A . 81 LYS O 1 1 1 1289 1 1 82 GLN C C 8.896 9.732 -1.061 1.00 . A A . 82 GLN C 1 1 1 1290 1 1 82 GLN CA C 9.739 11.009 -1.117 1.00 . A A . 82 GLN CA 1 1 1 1291 1 1 82 GLN CB C 9.740 11.553 -2.545 1.00 . A A . 82 GLN CB 1 1 1 1292 1 1 82 GLN CD C 9.178 13.649 -3.786 1.00 . A A . 82 GLN CD 1 1 1 1293 1 1 82 GLN CG C 9.807 13.082 -2.511 1.00 . A A . 82 GLN CG 1 1 1 1294 1 1 82 GLN H H 11.862 10.736 -1.362 1.00 . A A . 82 GLN H 1 1 1 1295 1 1 82 GLN HA H 9.318 11.747 -0.451 1.00 . A A . 82 GLN HA 1 1 1 1296 1 1 82 GLN HB2 H 10.596 11.166 -3.079 1.00 . A A . 82 GLN HB2 1 1 1 1297 1 1 82 GLN HB3 H 8.834 11.247 -3.048 1.00 . A A . 82 GLN HB3 1 1 1 1298 1 1 82 GLN HE21 H 7.809 14.707 -2.811 1.00 . A A . 82 GLN HE21 1 1 1 1299 1 1 82 GLN HE22 H 7.753 14.833 -4.503 1.00 . A A . 82 GLN HE22 1 1 1 1300 1 1 82 GLN HG2 H 9.265 13.447 -1.650 1.00 . A A . 82 GLN HG2 1 1 1 1301 1 1 82 GLN HG3 H 10.837 13.398 -2.448 1.00 . A A . 82 GLN HG3 1 1 1 1302 1 1 82 GLN N N 11.139 10.708 -0.701 1.00 . A A . 82 GLN N 1 1 1 1303 1 1 82 GLN NE2 N 8.162 14.463 -3.692 1.00 . A A . 82 GLN NE2 1 1 1 1304 1 1 82 GLN O O 7.707 9.774 -0.818 1.00 . A A . 82 GLN O 1 1 1 1305 1 1 82 GLN OE1 O 9.616 13.348 -4.879 1.00 . A A . 82 GLN OE1 1 1 1 1306 1 1 83 LEU C C 8.320 7.005 0.186 1.00 . A A . 83 LEU C 1 1 1 1307 1 1 83 LEU CA C 8.729 7.323 -1.254 1.00 . A A . 83 LEU CA 1 1 1 1308 1 1 83 LEU CB C 9.603 6.188 -1.795 1.00 . A A . 83 LEU CB 1 1 1 1309 1 1 83 LEU CD1 C 8.669 4.420 -3.292 1.00 . A A . 83 LEU CD1 1 1 1 1310 1 1 83 LEU CD2 C 9.496 3.816 -1.015 1.00 . A A . 83 LEU CD2 1 1 1 1311 1 1 83 LEU CG C 8.791 4.893 -1.843 1.00 . A A . 83 LEU CG 1 1 1 1312 1 1 83 LEU H H 10.459 8.586 -1.488 1.00 . A A . 83 LEU H 1 1 1 1313 1 1 83 LEU HA H 7.846 7.419 -1.867 1.00 . A A . 83 LEU HA 1 1 1 1314 1 1 83 LEU HB2 H 9.942 6.438 -2.790 1.00 . A A . 83 LEU HB2 1 1 1 1315 1 1 83 LEU HB3 H 10.457 6.051 -1.148 1.00 . A A . 83 LEU HB3 1 1 1 1316 1 1 83 LEU HD11 H 8.491 5.270 -3.934 1.00 . A A . 83 LEU HD11 1 1 1 1317 1 1 83 LEU HD12 H 9.587 3.932 -3.588 1.00 . A A . 83 LEU HD12 1 1 1 1318 1 1 83 LEU HD13 H 7.847 3.725 -3.377 1.00 . A A . 83 LEU HD13 1 1 1 1319 1 1 83 LEU HD21 H 10.563 3.876 -1.179 1.00 . A A . 83 LEU HD21 1 1 1 1320 1 1 83 LEU HD22 H 9.284 3.969 0.033 1.00 . A A . 83 LEU HD22 1 1 1 1321 1 1 83 LEU HD23 H 9.142 2.841 -1.315 1.00 . A A . 83 LEU HD23 1 1 1 1322 1 1 83 LEU HG H 7.804 5.072 -1.439 1.00 . A A . 83 LEU HG 1 1 1 1323 1 1 83 LEU N N 9.500 8.598 -1.290 1.00 . A A . 83 LEU N 1 1 1 1324 1 1 83 LEU O O 7.208 6.588 0.449 1.00 . A A . 83 LEU O 1 1 1 1325 1 1 84 ILE C C 7.759 7.813 3.026 1.00 . A A . 84 ILE C 1 1 1 1326 1 1 84 ILE CA C 8.881 6.893 2.541 1.00 . A A . 84 ILE CA 1 1 1 1327 1 1 84 ILE CB C 10.122 7.109 3.406 1.00 . A A . 84 ILE CB 1 1 1 1328 1 1 84 ILE CD1 C 10.846 4.971 2.325 1.00 . A A . 84 ILE CD1 1 1 1 1329 1 1 84 ILE CG1 C 11.308 6.351 2.800 1.00 . A A . 84 ILE CG1 1 1 1 1330 1 1 84 ILE CG2 C 9.857 6.593 4.819 1.00 . A A . 84 ILE CG2 1 1 1 1331 1 1 84 ILE H H 10.103 7.522 0.883 1.00 . A A . 84 ILE H 1 1 1 1332 1 1 84 ILE HA H 8.559 5.866 2.627 1.00 . A A . 84 ILE HA 1 1 1 1333 1 1 84 ILE HB H 10.351 8.165 3.445 1.00 . A A . 84 ILE HB 1 1 1 1334 1 1 84 ILE HD11 H 10.280 4.491 3.110 1.00 . A A . 84 ILE HD11 1 1 1 1335 1 1 84 ILE HD12 H 10.225 5.082 1.448 1.00 . A A . 84 ILE HD12 1 1 1 1336 1 1 84 ILE HD13 H 11.707 4.367 2.082 1.00 . A A . 84 ILE HD13 1 1 1 1337 1 1 84 ILE HG12 H 11.702 6.908 1.962 1.00 . A A . 84 ILE HG12 1 1 1 1338 1 1 84 ILE HG13 H 12.078 6.232 3.547 1.00 . A A . 84 ILE HG13 1 1 1 1339 1 1 84 ILE HG21 H 8.941 6.021 4.828 1.00 . A A . 84 ILE HG21 1 1 1 1340 1 1 84 ILE HG22 H 10.676 5.962 5.131 1.00 . A A . 84 ILE HG22 1 1 1 1341 1 1 84 ILE HG23 H 9.767 7.428 5.498 1.00 . A A . 84 ILE HG23 1 1 1 1342 1 1 84 ILE N N 9.211 7.192 1.119 1.00 . A A . 84 ILE N 1 1 1 1343 1 1 84 ILE O O 6.926 7.422 3.818 1.00 . A A . 84 ILE O 1 1 1 1344 1 1 85 ARG C C 5.307 9.509 2.462 1.00 . A A . 85 ARG C 1 1 1 1345 1 1 85 ARG CA C 6.656 9.969 3.015 1.00 . A A . 85 ARG CA 1 1 1 1346 1 1 85 ARG CB C 6.962 11.379 2.515 1.00 . A A . 85 ARG CB 1 1 1 1347 1 1 85 ARG CD C 7.928 13.566 3.233 1.00 . A A . 85 ARG CD 1 1 1 1348 1 1 85 ARG CG C 7.241 12.289 3.711 1.00 . A A . 85 ARG CG 1 1 1 1349 1 1 85 ARG CZ C 8.408 15.758 4.198 1.00 . A A . 85 ARG CZ 1 1 1 1350 1 1 85 ARG H H 8.410 9.337 1.931 1.00 . A A . 85 ARG H 1 1 1 1351 1 1 85 ARG HA H 6.616 9.973 4.092 1.00 . A A . 85 ARG HA 1 1 1 1352 1 1 85 ARG HB2 H 7.828 11.352 1.870 1.00 . A A . 85 ARG HB2 1 1 1 1353 1 1 85 ARG HB3 H 6.114 11.759 1.965 1.00 . A A . 85 ARG HB3 1 1 1 1354 1 1 85 ARG HD2 H 8.989 13.388 3.134 1.00 . A A . 85 ARG HD2 1 1 1 1355 1 1 85 ARG HD3 H 7.522 13.858 2.277 1.00 . A A . 85 ARG HD3 1 1 1 1356 1 1 85 ARG HE H 7.005 14.543 4.912 1.00 . A A . 85 ARG HE 1 1 1 1357 1 1 85 ARG HG2 H 6.308 12.540 4.196 1.00 . A A . 85 ARG HG2 1 1 1 1358 1 1 85 ARG HG3 H 7.883 11.776 4.412 1.00 . A A . 85 ARG HG3 1 1 1 1359 1 1 85 ARG HH11 H 9.532 15.244 2.609 1.00 . A A . 85 ARG HH11 1 1 1 1360 1 1 85 ARG HH12 H 9.868 16.793 3.296 1.00 . A A . 85 ARG HH12 1 1 1 1361 1 1 85 ARG HH21 H 7.470 16.556 5.776 1.00 . A A . 85 ARG HH21 1 1 1 1362 1 1 85 ARG HH22 H 8.716 17.532 5.072 1.00 . A A . 85 ARG HH22 1 1 1 1363 1 1 85 ARG N N 7.728 9.034 2.566 1.00 . A A . 85 ARG N 1 1 1 1364 1 1 85 ARG NE N 7.697 14.653 4.226 1.00 . A A . 85 ARG NE 1 1 1 1365 1 1 85 ARG NH1 N 9.342 15.943 3.296 1.00 . A A . 85 ARG NH1 1 1 1 1366 1 1 85 ARG NH2 N 8.180 16.688 5.085 1.00 . A A . 85 ARG NH2 1 1 1 1367 1 1 85 ARG O O 4.361 9.308 3.198 1.00 . A A . 85 ARG O 1 1 1 1368 1 1 86 PHE C C 3.447 7.627 1.279 1.00 . A A . 86 PHE C 1 1 1 1369 1 1 86 PHE CA C 3.937 8.884 0.553 1.00 . A A . 86 PHE CA 1 1 1 1370 1 1 86 PHE CB C 4.183 8.548 -0.920 1.00 . A A . 86 PHE CB 1 1 1 1371 1 1 86 PHE CD1 C 2.125 9.321 -2.149 1.00 . A A . 86 PHE CD1 1 1 1 1372 1 1 86 PHE CD2 C 4.135 10.669 -2.283 1.00 . A A . 86 PHE CD2 1 1 1 1373 1 1 86 PHE CE1 C 1.457 10.235 -2.974 1.00 . A A . 86 PHE CE1 1 1 1 1374 1 1 86 PHE CE2 C 3.468 11.581 -3.109 1.00 . A A . 86 PHE CE2 1 1 1 1375 1 1 86 PHE CG C 3.463 9.539 -1.804 1.00 . A A . 86 PHE CG 1 1 1 1376 1 1 86 PHE CZ C 2.129 11.365 -3.454 1.00 . A A . 86 PHE CZ 1 1 1 1377 1 1 86 PHE H H 5.999 9.508 0.605 1.00 . A A . 86 PHE H 1 1 1 1378 1 1 86 PHE HA H 3.194 9.665 0.631 1.00 . A A . 86 PHE HA 1 1 1 1379 1 1 86 PHE HB2 H 5.243 8.592 -1.125 1.00 . A A . 86 PHE HB2 1 1 1 1380 1 1 86 PHE HB3 H 3.819 7.553 -1.127 1.00 . A A . 86 PHE HB3 1 1 1 1381 1 1 86 PHE HD1 H 1.606 8.450 -1.779 1.00 . A A . 86 PHE HD1 1 1 1 1382 1 1 86 PHE HD2 H 5.168 10.836 -2.017 1.00 . A A . 86 PHE HD2 1 1 1 1383 1 1 86 PHE HE1 H 0.424 10.067 -3.239 1.00 . A A . 86 PHE HE1 1 1 1 1384 1 1 86 PHE HE2 H 3.987 12.452 -3.480 1.00 . A A . 86 PHE HE2 1 1 1 1385 1 1 86 PHE HZ H 1.614 12.069 -4.091 1.00 . A A . 86 PHE HZ 1 1 1 1386 1 1 86 PHE N N 5.217 9.340 1.171 1.00 . A A . 86 PHE N 1 1 1 1387 1 1 86 PHE O O 2.262 7.369 1.378 1.00 . A A . 86 PHE O 1 1 1 1388 1 1 87 LEU C C 3.299 5.932 3.827 1.00 . A A . 87 LEU C 1 1 1 1389 1 1 87 LEU CA C 3.974 5.597 2.498 1.00 . A A . 87 LEU CA 1 1 1 1390 1 1 87 LEU CB C 5.231 4.779 2.774 1.00 . A A . 87 LEU CB 1 1 1 1391 1 1 87 LEU CD1 C 6.404 2.639 2.321 1.00 . A A . 87 LEU CD1 1 1 1 1392 1 1 87 LEU CD2 C 3.914 2.679 2.488 1.00 . A A . 87 LEU CD2 1 1 1 1393 1 1 87 LEU CG C 5.150 3.455 2.023 1.00 . A A . 87 LEU CG 1 1 1 1394 1 1 87 LEU H H 5.308 7.072 1.685 1.00 . A A . 87 LEU H 1 1 1 1395 1 1 87 LEU HA H 3.300 5.021 1.883 1.00 . A A . 87 LEU HA 1 1 1 1396 1 1 87 LEU HB2 H 6.099 5.331 2.444 1.00 . A A . 87 LEU HB2 1 1 1 1397 1 1 87 LEU HB3 H 5.308 4.586 3.834 1.00 . A A . 87 LEU HB3 1 1 1 1398 1 1 87 LEU HD11 H 7.080 3.228 2.923 1.00 . A A . 87 LEU HD11 1 1 1 1399 1 1 87 LEU HD12 H 6.131 1.744 2.859 1.00 . A A . 87 LEU HD12 1 1 1 1400 1 1 87 LEU HD13 H 6.888 2.369 1.395 1.00 . A A . 87 LEU HD13 1 1 1 1401 1 1 87 LEU HD21 H 3.630 3.014 3.475 1.00 . A A . 87 LEU HD21 1 1 1 1402 1 1 87 LEU HD22 H 3.100 2.852 1.801 1.00 . A A . 87 LEU HD22 1 1 1 1403 1 1 87 LEU HD23 H 4.142 1.623 2.519 1.00 . A A . 87 LEU HD23 1 1 1 1404 1 1 87 LEU HG H 5.085 3.644 0.962 1.00 . A A . 87 LEU HG 1 1 1 1405 1 1 87 LEU N N 4.359 6.844 1.783 1.00 . A A . 87 LEU N 1 1 1 1406 1 1 87 LEU O O 2.227 5.448 4.118 1.00 . A A . 87 LEU O 1 1 1 1407 1 1 88 LYS C C 1.892 7.575 5.774 1.00 . A A . 88 LYS C 1 1 1 1408 1 1 88 LYS CA C 3.333 7.100 5.962 1.00 . A A . 88 LYS CA 1 1 1 1409 1 1 88 LYS CB C 4.148 8.228 6.596 1.00 . A A . 88 LYS CB 1 1 1 1410 1 1 88 LYS CD C 6.384 8.901 7.473 1.00 . A A . 88 LYS CD 1 1 1 1411 1 1 88 LYS CE C 7.236 8.376 8.632 1.00 . A A . 88 LYS CE 1 1 1 1412 1 1 88 LYS CG C 5.577 7.753 6.864 1.00 . A A . 88 LYS CG 1 1 1 1413 1 1 88 LYS H H 4.798 7.107 4.382 1.00 . A A . 88 LYS H 1 1 1 1414 1 1 88 LYS HA H 3.347 6.238 6.611 1.00 . A A . 88 LYS HA 1 1 1 1415 1 1 88 LYS HB2 H 4.171 9.075 5.924 1.00 . A A . 88 LYS HB2 1 1 1 1416 1 1 88 LYS HB3 H 3.689 8.523 7.528 1.00 . A A . 88 LYS HB3 1 1 1 1417 1 1 88 LYS HD2 H 7.027 9.329 6.718 1.00 . A A . 88 LYS HD2 1 1 1 1418 1 1 88 LYS HD3 H 5.708 9.658 7.842 1.00 . A A . 88 LYS HD3 1 1 1 1419 1 1 88 LYS HE2 H 6.706 7.584 9.138 1.00 . A A . 88 LYS HE2 1 1 1 1420 1 1 88 LYS HE3 H 8.172 7.997 8.248 1.00 . A A . 88 LYS HE3 1 1 1 1421 1 1 88 LYS HG2 H 5.556 6.917 7.550 1.00 . A A . 88 LYS HG2 1 1 1 1422 1 1 88 LYS HG3 H 6.035 7.445 5.936 1.00 . A A . 88 LYS HG3 1 1 1 1423 1 1 88 LYS HZ1 H 6.941 10.319 9.323 1.00 . A A . 88 LYS HZ1 1 1 1 1424 1 1 88 LYS HZ2 H 7.246 9.185 10.551 1.00 . A A . 88 LYS HZ2 1 1 1 1425 1 1 88 LYS HZ3 H 8.516 9.729 9.565 1.00 . A A . 88 LYS HZ3 1 1 1 1426 1 1 88 LYS N N 3.927 6.741 4.639 1.00 . A A . 88 LYS N 1 1 1 1427 1 1 88 LYS NZ N 7.505 9.485 9.590 1.00 . A A . 88 LYS NZ 1 1 1 1428 1 1 88 LYS O O 1.016 7.258 6.553 1.00 . A A . 88 LYS O 1 1 1 1429 1 1 89 ARG C C -0.675 7.682 4.208 1.00 . A A . 89 ARG C 1 1 1 1430 1 1 89 ARG CA C 0.267 8.848 4.512 1.00 . A A . 89 ARG CA 1 1 1 1431 1 1 89 ARG CB C 0.284 9.807 3.323 1.00 . A A . 89 ARG CB 1 1 1 1432 1 1 89 ARG CD C -0.813 12.007 2.880 1.00 . A A . 89 ARG CD 1 1 1 1433 1 1 89 ARG CG C -1.055 10.540 3.239 1.00 . A A . 89 ARG CG 1 1 1 1434 1 1 89 ARG CZ C -1.212 13.416 0.924 1.00 . A A . 89 ARG CZ 1 1 1 1435 1 1 89 ARG H H 2.371 8.588 4.139 1.00 . A A . 89 ARG H 1 1 1 1436 1 1 89 ARG HA H -0.081 9.369 5.389 1.00 . A A . 89 ARG HA 1 1 1 1437 1 1 89 ARG HB2 H 1.082 10.524 3.453 1.00 . A A . 89 ARG HB2 1 1 1 1438 1 1 89 ARG HB3 H 0.446 9.251 2.413 1.00 . A A . 89 ARG HB3 1 1 1 1439 1 1 89 ARG HD2 H -1.469 12.635 3.462 1.00 . A A . 89 ARG HD2 1 1 1 1440 1 1 89 ARG HD3 H 0.214 12.267 3.091 1.00 . A A . 89 ARG HD3 1 1 1 1441 1 1 89 ARG HE H -1.198 11.429 0.845 1.00 . A A . 89 ARG HE 1 1 1 1442 1 1 89 ARG HG2 H -1.670 10.079 2.479 1.00 . A A . 89 ARG HG2 1 1 1 1443 1 1 89 ARG HG3 H -1.557 10.483 4.192 1.00 . A A . 89 ARG HG3 1 1 1 1444 1 1 89 ARG HH11 H -0.856 14.401 2.644 1.00 . A A . 89 ARG HH11 1 1 1 1445 1 1 89 ARG HH12 H -1.158 15.391 1.261 1.00 . A A . 89 ARG HH12 1 1 1 1446 1 1 89 ARG HH21 H -1.587 12.745 -0.925 1.00 . A A . 89 ARG HH21 1 1 1 1447 1 1 89 ARG HH22 H -1.569 14.467 -0.741 1.00 . A A . 89 ARG HH22 1 1 1 1448 1 1 89 ARG N N 1.645 8.340 4.750 1.00 . A A . 89 ARG N 1 1 1 1449 1 1 89 ARG NE N -1.094 12.210 1.429 1.00 . A A . 89 ARG NE 1 1 1 1450 1 1 89 ARG NH1 N -1.063 14.484 1.670 1.00 . A A . 89 ARG NH1 1 1 1 1451 1 1 89 ARG NH2 N -1.476 13.554 -0.347 1.00 . A A . 89 ARG NH2 1 1 1 1452 1 1 89 ARG O O -1.798 7.642 4.669 1.00 . A A . 89 ARG O 1 1 1 1453 1 1 90 LEU C C -1.173 4.570 4.223 1.00 . A A . 90 LEU C 1 1 1 1454 1 1 90 LEU CA C -1.118 5.588 3.075 1.00 . A A . 90 LEU CA 1 1 1 1455 1 1 90 LEU CB C -0.584 4.901 1.820 1.00 . A A . 90 LEU CB 1 1 1 1456 1 1 90 LEU CD1 C -2.427 5.267 0.174 1.00 . A A . 90 LEU CD1 1 1 1 1457 1 1 90 LEU CD2 C -1.215 3.083 0.234 1.00 . A A . 90 LEU CD2 1 1 1 1458 1 1 90 LEU CG C -1.745 4.239 1.081 1.00 . A A . 90 LEU CG 1 1 1 1459 1 1 90 LEU H H 0.670 6.797 3.048 1.00 . A A . 90 LEU H 1 1 1 1460 1 1 90 LEU HA H -2.115 5.954 2.880 1.00 . A A . 90 LEU HA 1 1 1 1461 1 1 90 LEU HB2 H -0.117 5.635 1.179 1.00 . A A . 90 LEU HB2 1 1 1 1462 1 1 90 LEU HB3 H 0.139 4.151 2.098 1.00 . A A . 90 LEU HB3 1 1 1 1463 1 1 90 LEU HD11 H -2.490 6.214 0.687 1.00 . A A . 90 LEU HD11 1 1 1 1464 1 1 90 LEU HD12 H -1.850 5.385 -0.731 1.00 . A A . 90 LEU HD12 1 1 1 1465 1 1 90 LEU HD13 H -3.421 4.925 -0.075 1.00 . A A . 90 LEU HD13 1 1 1 1466 1 1 90 LEU HD21 H -0.177 3.260 -0.008 1.00 . A A . 90 LEU HD21 1 1 1 1467 1 1 90 LEU HD22 H -1.304 2.159 0.786 1.00 . A A . 90 LEU HD22 1 1 1 1468 1 1 90 LEU HD23 H -1.790 3.014 -0.675 1.00 . A A . 90 LEU HD23 1 1 1 1469 1 1 90 LEU HG H -2.460 3.863 1.799 1.00 . A A . 90 LEU HG 1 1 1 1470 1 1 90 LEU N N -0.235 6.740 3.421 1.00 . A A . 90 LEU N 1 1 1 1471 1 1 90 LEU O O -1.989 3.675 4.218 1.00 . A A . 90 LEU O 1 1 1 1472 1 1 91 ASP C C -1.454 4.126 7.321 1.00 . A A . 91 ASP C 1 1 1 1473 1 1 91 ASP CA C -0.372 3.707 6.327 1.00 . A A . 91 ASP CA 1 1 1 1474 1 1 91 ASP CB C 0.986 3.681 7.034 1.00 . A A . 91 ASP CB 1 1 1 1475 1 1 91 ASP CG C 1.047 2.481 7.983 1.00 . A A . 91 ASP CG 1 1 1 1476 1 1 91 ASP H H 0.326 5.411 5.216 1.00 . A A . 91 ASP H 1 1 1 1477 1 1 91 ASP HA H -0.596 2.723 5.940 1.00 . A A . 91 ASP HA 1 1 1 1478 1 1 91 ASP HB2 H 1.772 3.599 6.298 1.00 . A A . 91 ASP HB2 1 1 1 1479 1 1 91 ASP HB3 H 1.114 4.591 7.600 1.00 . A A . 91 ASP HB3 1 1 1 1480 1 1 91 ASP N N -0.328 4.687 5.207 1.00 . A A . 91 ASP N 1 1 1 1481 1 1 91 ASP O O -2.060 3.307 7.982 1.00 . A A . 91 ASP O 1 1 1 1482 1 1 91 ASP OD1 O 0.196 2.396 8.854 1.00 . A A . 91 ASP OD1 1 1 1 1483 1 1 91 ASP OD2 O 1.943 1.670 7.822 1.00 . A A . 91 ASP OD2 1 1 1 1484 1 1 92 ARG C C -4.073 6.016 7.687 1.00 . A A . 92 ARG C 1 1 1 1485 1 1 92 ARG CA C -2.713 5.897 8.391 1.00 . A A . 92 ARG CA 1 1 1 1486 1 1 92 ARG CB C -2.249 7.277 8.901 1.00 . A A . 92 ARG CB 1 1 1 1487 1 1 92 ARG CD C -2.917 6.476 11.212 1.00 . A A . 92 ARG CD 1 1 1 1488 1 1 92 ARG CG C -2.904 7.661 10.241 1.00 . A A . 92 ARG CG 1 1 1 1489 1 1 92 ARG CZ C -3.036 6.218 13.642 1.00 . A A . 92 ARG CZ 1 1 1 1490 1 1 92 ARG H H -1.176 6.042 6.899 1.00 . A A . 92 ARG H 1 1 1 1491 1 1 92 ARG HA H -2.793 5.204 9.207 1.00 . A A . 92 ARG HA 1 1 1 1492 1 1 92 ARG HB2 H -1.176 7.263 9.028 1.00 . A A . 92 ARG HB2 1 1 1 1493 1 1 92 ARG HB3 H -2.503 8.024 8.161 1.00 . A A . 92 ARG HB3 1 1 1 1494 1 1 92 ARG HD2 H -3.874 5.978 11.142 1.00 . A A . 92 ARG HD2 1 1 1 1495 1 1 92 ARG HD3 H -2.127 5.788 10.955 1.00 . A A . 92 ARG HD3 1 1 1 1496 1 1 92 ARG HE H -2.278 7.832 12.755 1.00 . A A . 92 ARG HE 1 1 1 1497 1 1 92 ARG HG2 H -2.343 8.472 10.684 1.00 . A A . 92 ARG HG2 1 1 1 1498 1 1 92 ARG HG3 H -3.916 7.987 10.063 1.00 . A A . 92 ARG HG3 1 1 1 1499 1 1 92 ARG HH11 H -3.830 4.701 12.581 1.00 . A A . 92 ARG HH11 1 1 1 1500 1 1 92 ARG HH12 H -3.875 4.518 14.296 1.00 . A A . 92 ARG HH12 1 1 1 1501 1 1 92 ARG HH21 H -2.344 7.539 14.978 1.00 . A A . 92 ARG HH21 1 1 1 1502 1 1 92 ARG HH22 H -3.043 6.099 15.640 1.00 . A A . 92 ARG HH22 1 1 1 1503 1 1 92 ARG N N -1.686 5.402 7.436 1.00 . A A . 92 ARG N 1 1 1 1504 1 1 92 ARG NE N -2.697 6.958 12.607 1.00 . A A . 92 ARG NE 1 1 1 1505 1 1 92 ARG NH1 N -3.625 5.055 13.490 1.00 . A A . 92 ARG NH1 1 1 1 1506 1 1 92 ARG NH2 N -2.788 6.652 14.846 1.00 . A A . 92 ARG NH2 1 1 1 1507 1 1 92 ARG O O -5.112 5.840 8.292 1.00 . A A . 92 ARG O 1 1 1 1508 1 1 93 ASN C C -5.895 5.130 5.177 1.00 . A A . 93 ASN C 1 1 1 1509 1 1 93 ASN CA C -5.371 6.480 5.687 1.00 . A A . 93 ASN CA 1 1 1 1510 1 1 93 ASN CB C -5.162 7.412 4.491 1.00 . A A . 93 ASN CB 1 1 1 1511 1 1 93 ASN CG C -4.879 8.831 4.989 1.00 . A A . 93 ASN CG 1 1 1 1512 1 1 93 ASN H H -3.228 6.474 5.950 1.00 . A A . 93 ASN H 1 1 1 1513 1 1 93 ASN HA H -6.102 6.917 6.349 1.00 . A A . 93 ASN HA 1 1 1 1514 1 1 93 ASN HB2 H -4.326 7.061 3.904 1.00 . A A . 93 ASN HB2 1 1 1 1515 1 1 93 ASN HB3 H -6.053 7.419 3.882 1.00 . A A . 93 ASN HB3 1 1 1 1516 1 1 93 ASN HD21 H -6.310 9.653 3.887 1.00 . A A . 93 ASN HD21 1 1 1 1517 1 1 93 ASN HD22 H -5.423 10.735 4.849 1.00 . A A . 93 ASN HD22 1 1 1 1518 1 1 93 ASN N N -4.075 6.325 6.419 1.00 . A A . 93 ASN N 1 1 1 1519 1 1 93 ASN ND2 N -5.597 9.823 4.538 1.00 . A A . 93 ASN ND2 1 1 1 1520 1 1 93 ASN O O -7.066 4.833 5.298 1.00 . A A . 93 ASN O 1 1 1 1521 1 1 93 ASN OD1 O -3.993 9.039 5.795 1.00 . A A . 93 ASN OD1 1 1 1 1522 1 1 94 LEU C C -6.301 2.229 5.094 1.00 . A A . 94 LEU C 1 1 1 1523 1 1 94 LEU CA C -5.524 3.017 4.033 1.00 . A A . 94 LEU CA 1 1 1 1524 1 1 94 LEU CB C -4.322 2.199 3.559 1.00 . A A . 94 LEU CB 1 1 1 1525 1 1 94 LEU CD1 C -4.752 1.631 1.167 1.00 . A A . 94 LEU CD1 1 1 1 1526 1 1 94 LEU CD2 C -3.860 -0.107 2.722 1.00 . A A . 94 LEU CD2 1 1 1 1527 1 1 94 LEU CG C -4.790 1.102 2.602 1.00 . A A . 94 LEU CG 1 1 1 1528 1 1 94 LEU H H -4.115 4.597 4.469 1.00 . A A . 94 LEU H 1 1 1 1529 1 1 94 LEU HA H -6.174 3.204 3.191 1.00 . A A . 94 LEU HA 1 1 1 1530 1 1 94 LEU HB2 H -3.632 2.846 3.043 1.00 . A A . 94 LEU HB2 1 1 1 1531 1 1 94 LEU HB3 H -3.831 1.749 4.409 1.00 . A A . 94 LEU HB3 1 1 1 1532 1 1 94 LEU HD11 H -5.052 2.669 1.157 1.00 . A A . 94 LEU HD11 1 1 1 1533 1 1 94 LEU HD12 H -3.749 1.542 0.777 1.00 . A A . 94 LEU HD12 1 1 1 1534 1 1 94 LEU HD13 H -5.429 1.055 0.552 1.00 . A A . 94 LEU HD13 1 1 1 1535 1 1 94 LEU HD21 H -3.224 0.012 3.587 1.00 . A A . 94 LEU HD21 1 1 1 1536 1 1 94 LEU HD22 H -4.449 -1.005 2.829 1.00 . A A . 94 LEU HD22 1 1 1 1537 1 1 94 LEU HD23 H -3.250 -0.180 1.835 1.00 . A A . 94 LEU HD23 1 1 1 1538 1 1 94 LEU HG H -5.799 0.812 2.853 1.00 . A A . 94 LEU HG 1 1 1 1539 1 1 94 LEU N N -5.053 4.328 4.580 1.00 . A A . 94 LEU N 1 1 1 1540 1 1 94 LEU O O -7.441 1.867 4.888 1.00 . A A . 94 LEU O 1 1 1 1541 1 1 95 TRP C C -7.207 2.116 8.187 1.00 . A A . 95 TRP C 1 1 1 1542 1 1 95 TRP CA C -6.435 1.173 7.266 1.00 . A A . 95 TRP CA 1 1 1 1543 1 1 95 TRP CB C -5.445 0.337 8.071 1.00 . A A . 95 TRP CB 1 1 1 1544 1 1 95 TRP CD1 C -4.505 2.205 9.458 1.00 . A A . 95 TRP CD1 1 1 1 1545 1 1 95 TRP CD2 C -5.298 0.525 10.715 1.00 . A A . 95 TRP CD2 1 1 1 1546 1 1 95 TRP CE2 C -4.804 1.496 11.615 1.00 . A A . 95 TRP CE2 1 1 1 1547 1 1 95 TRP CE3 C -5.858 -0.646 11.245 1.00 . A A . 95 TRP CE3 1 1 1 1548 1 1 95 TRP CG C -5.102 1.007 9.356 1.00 . A A . 95 TRP CG 1 1 1 1549 1 1 95 TRP CH2 C -5.419 0.130 13.507 1.00 . A A . 95 TRP CH2 1 1 1 1550 1 1 95 TRP CZ2 C -4.860 1.304 12.998 1.00 . A A . 95 TRP CZ2 1 1 1 1551 1 1 95 TRP CZ3 C -5.915 -0.844 12.631 1.00 . A A . 95 TRP CZ3 1 1 1 1552 1 1 95 TRP H H -4.781 2.239 6.376 1.00 . A A . 95 TRP H 1 1 1 1553 1 1 95 TRP HA H -7.137 0.511 6.780 1.00 . A A . 95 TRP HA 1 1 1 1554 1 1 95 TRP HB2 H -5.883 -0.618 8.285 1.00 . A A . 95 TRP HB2 1 1 1 1555 1 1 95 TRP HB3 H -4.548 0.203 7.491 1.00 . A A . 95 TRP HB3 1 1 1 1556 1 1 95 TRP HD1 H -4.222 2.822 8.626 1.00 . A A . 95 TRP HD1 1 1 1 1557 1 1 95 TRP HE1 H -3.921 3.329 11.145 1.00 . A A . 95 TRP HE1 1 1 1 1558 1 1 95 TRP HE3 H -6.244 -1.397 10.580 1.00 . A A . 95 TRP HE3 1 1 1 1559 1 1 95 TRP HH2 H -5.466 -0.028 14.574 1.00 . A A . 95 TRP HH2 1 1 1 1560 1 1 95 TRP HZ2 H -4.478 2.056 13.670 1.00 . A A . 95 TRP HZ2 1 1 1 1561 1 1 95 TRP HZ3 H -6.345 -1.752 13.026 1.00 . A A . 95 TRP HZ3 1 1 1 1562 1 1 95 TRP N N -5.703 1.948 6.221 1.00 . A A . 95 TRP N 1 1 1 1563 1 1 95 TRP NE1 N -4.330 2.507 10.799 1.00 . A A . 95 TRP NE1 1 1 1 1564 1 1 95 TRP O O -8.157 1.716 8.830 1.00 . A A . 95 TRP O 1 1 1 1565 1 1 96 GLY C C -9.038 4.274 8.780 1.00 . A A . 96 GLY C 1 1 1 1566 1 1 96 GLY CA C -7.548 4.322 9.132 1.00 . A A . 96 GLY CA 1 1 1 1567 1 1 96 GLY H H -6.044 3.662 7.733 1.00 . A A . 96 GLY H 1 1 1 1568 1 1 96 GLY HA2 H -7.409 4.045 10.168 1.00 . A A . 96 GLY HA2 1 1 1 1569 1 1 96 GLY HA3 H -7.175 5.320 8.969 1.00 . A A . 96 GLY HA3 1 1 1 1570 1 1 96 GLY N N -6.815 3.360 8.258 1.00 . A A . 96 GLY N 1 1 1 1571 1 1 96 GLY O O -9.895 4.444 9.626 1.00 . A A . 96 GLY O 1 1 1 1572 1 1 97 LEU C C -11.339 2.593 7.577 1.00 . A A . 97 LEU C 1 1 1 1573 1 1 97 LEU CA C -10.778 3.939 7.123 1.00 . A A . 97 LEU CA 1 1 1 1574 1 1 97 LEU CB C -10.876 4.043 5.598 1.00 . A A . 97 LEU CB 1 1 1 1575 1 1 97 LEU CD1 C -12.048 6.094 4.787 1.00 . A A . 97 LEU CD1 1 1 1 1576 1 1 97 LEU CD2 C -12.818 3.839 4.040 1.00 . A A . 97 LEU CD2 1 1 1 1577 1 1 97 LEU CG C -12.231 4.635 5.209 1.00 . A A . 97 LEU CG 1 1 1 1578 1 1 97 LEU H H -8.641 3.876 6.875 1.00 . A A . 97 LEU H 1 1 1 1579 1 1 97 LEU HA H -11.339 4.742 7.580 1.00 . A A . 97 LEU HA 1 1 1 1580 1 1 97 LEU HB2 H -10.085 4.679 5.230 1.00 . A A . 97 LEU HB2 1 1 1 1581 1 1 97 LEU HB3 H -10.778 3.059 5.165 1.00 . A A . 97 LEU HB3 1 1 1 1582 1 1 97 LEU HD11 H -11.073 6.220 4.339 1.00 . A A . 97 LEU HD11 1 1 1 1583 1 1 97 LEU HD12 H -12.810 6.361 4.071 1.00 . A A . 97 LEU HD12 1 1 1 1584 1 1 97 LEU HD13 H -12.129 6.734 5.654 1.00 . A A . 97 LEU HD13 1 1 1 1585 1 1 97 LEU HD21 H -12.059 3.189 3.630 1.00 . A A . 97 LEU HD21 1 1 1 1586 1 1 97 LEU HD22 H -13.650 3.245 4.389 1.00 . A A . 97 LEU HD22 1 1 1 1587 1 1 97 LEU HD23 H -13.159 4.521 3.275 1.00 . A A . 97 LEU HD23 1 1 1 1588 1 1 97 LEU HG H -12.902 4.585 6.055 1.00 . A A . 97 LEU HG 1 1 1 1589 1 1 97 LEU N N -9.350 4.023 7.536 1.00 . A A . 97 LEU N 1 1 1 1590 1 1 97 LEU O O -12.476 2.485 7.995 1.00 . A A . 97 LEU O 1 1 1 1591 1 1 98 ALA C C -11.564 0.284 9.344 1.00 . A A . 98 ALA C 1 1 1 1592 1 1 98 ALA CA C -11.000 0.212 7.925 1.00 . A A . 98 ALA CA 1 1 1 1593 1 1 98 ALA CB C -9.813 -0.754 7.896 1.00 . A A . 98 ALA CB 1 1 1 1594 1 1 98 ALA H H -9.629 1.681 7.159 1.00 . A A . 98 ALA H 1 1 1 1595 1 1 98 ALA HA H -11.765 -0.137 7.250 1.00 . A A . 98 ALA HA 1 1 1 1596 1 1 98 ALA HB1 H -9.077 -0.399 7.188 1.00 . A A . 98 ALA HB1 1 1 1 1597 1 1 98 ALA HB2 H -9.367 -0.806 8.878 1.00 . A A . 98 ALA HB2 1 1 1 1598 1 1 98 ALA HB3 H -10.153 -1.735 7.602 1.00 . A A . 98 ALA HB3 1 1 1 1599 1 1 98 ALA N N -10.540 1.564 7.500 1.00 . A A . 98 ALA N 1 1 1 1600 1 1 98 ALA O O -12.584 -0.300 9.648 1.00 . A A . 98 ALA O 1 1 1 1601 1 1 99 GLY C C -11.228 -0.251 12.320 1.00 . A A . 99 GLY C 1 1 1 1602 1 1 99 GLY CA C -11.398 1.098 11.619 1.00 . A A . 99 GLY CA 1 1 1 1603 1 1 99 GLY H H -10.080 1.453 9.951 1.00 . A A . 99 GLY H 1 1 1 1604 1 1 99 GLY HA2 H -10.830 1.853 12.145 1.00 . A A . 99 GLY HA2 1 1 1 1605 1 1 99 GLY HA3 H -12.443 1.369 11.614 1.00 . A A . 99 GLY HA3 1 1 1 1606 1 1 99 GLY N N -10.903 0.992 10.218 1.00 . A A . 99 GLY N 1 1 1 1607 1 1 99 GLY O O -12.146 -0.767 12.925 1.00 . A A . 99 GLY O 1 1 1 1608 1 1 100 LEU C C -8.720 -2.013 13.931 1.00 . A A . 100 LEU C 1 1 1 1609 1 1 100 LEU CA C -9.831 -2.145 12.890 1.00 . A A . 100 LEU CA 1 1 1 1610 1 1 100 LEU CB C -9.410 -3.167 11.831 1.00 . A A . 100 LEU CB 1 1 1 1611 1 1 100 LEU CD1 C -11.255 -4.609 10.962 1.00 . A A . 100 LEU CD1 1 1 1 1612 1 1 100 LEU CD2 C -9.209 -5.653 11.946 1.00 . A A . 100 LEU CD2 1 1 1 1613 1 1 100 LEU CG C -10.178 -4.471 12.041 1.00 . A A . 100 LEU CG 1 1 1 1614 1 1 100 LEU H H -9.336 -0.394 11.738 1.00 . A A . 100 LEU H 1 1 1 1615 1 1 100 LEU HA H -10.740 -2.476 13.369 1.00 . A A . 100 LEU HA 1 1 1 1616 1 1 100 LEU HB2 H -9.628 -2.775 10.848 1.00 . A A . 100 LEU HB2 1 1 1 1617 1 1 100 LEU HB3 H -8.351 -3.358 11.917 1.00 . A A . 100 LEU HB3 1 1 1 1618 1 1 100 LEU HD11 H -11.465 -3.638 10.538 1.00 . A A . 100 LEU HD11 1 1 1 1619 1 1 100 LEU HD12 H -10.902 -5.272 10.186 1.00 . A A . 100 LEU HD12 1 1 1 1620 1 1 100 LEU HD13 H -12.155 -5.013 11.399 1.00 . A A . 100 LEU HD13 1 1 1 1621 1 1 100 LEU HD21 H -8.233 -5.347 12.292 1.00 . A A . 100 LEU HD21 1 1 1 1622 1 1 100 LEU HD22 H -9.569 -6.465 12.559 1.00 . A A . 100 LEU HD22 1 1 1 1623 1 1 100 LEU HD23 H -9.141 -5.980 10.919 1.00 . A A . 100 LEU HD23 1 1 1 1624 1 1 100 LEU HG H -10.644 -4.462 13.016 1.00 . A A . 100 LEU HG 1 1 1 1625 1 1 100 LEU N N -10.061 -0.827 12.236 1.00 . A A . 100 LEU N 1 1 1 1626 1 1 100 LEU O O -8.170 -0.950 14.134 1.00 . A A . 100 LEU O 1 1 1 1627 1 1 101 ASN C C -6.201 -4.025 15.224 1.00 . A A . 101 ASN C 1 1 1 1628 1 1 101 ASN CA C -7.299 -3.028 15.608 1.00 . A A . 101 ASN CA 1 1 1 1629 1 1 101 ASN CB C -7.863 -3.386 16.985 1.00 . A A . 101 ASN CB 1 1 1 1630 1 1 101 ASN CG C -7.688 -2.200 17.935 1.00 . A A . 101 ASN CG 1 1 1 1631 1 1 101 ASN H H -8.839 -3.935 14.409 1.00 . A A . 101 ASN H 1 1 1 1632 1 1 101 ASN HA H -6.883 -2.028 15.634 1.00 . A A . 101 ASN HA 1 1 1 1633 1 1 101 ASN HB2 H -8.912 -3.624 16.893 1.00 . A A . 101 ASN HB2 1 1 1 1634 1 1 101 ASN HB3 H -7.333 -4.239 17.381 1.00 . A A . 101 ASN HB3 1 1 1 1635 1 1 101 ASN HD21 H -6.317 -3.112 19.045 1.00 . A A . 101 ASN HD21 1 1 1 1636 1 1 101 ASN HD22 H -6.716 -1.536 19.534 1.00 . A A . 101 ASN HD22 1 1 1 1637 1 1 101 ASN N N -8.383 -3.087 14.590 1.00 . A A . 101 ASN N 1 1 1 1638 1 1 101 ASN ND2 N -6.836 -2.289 18.920 1.00 . A A . 101 ASN ND2 1 1 1 1639 1 1 101 ASN O O -5.173 -3.657 14.689 1.00 . A A . 101 ASN O 1 1 1 1640 1 1 101 ASN OD1 O -8.331 -1.182 17.779 1.00 . A A . 101 ASN OD1 1 1 1 1641 1 1 102 SER C C -5.658 -6.866 13.746 1.00 . A A . 102 SER C 1 1 1 1642 1 1 102 SER CA C -5.387 -6.310 15.147 1.00 . A A . 102 SER CA 1 1 1 1643 1 1 102 SER CB C -5.442 -7.450 16.163 1.00 . A A . 102 SER CB 1 1 1 1644 1 1 102 SER H H -7.250 -5.563 15.923 1.00 . A A . 102 SER H 1 1 1 1645 1 1 102 SER HA H -4.407 -5.857 15.168 1.00 . A A . 102 SER HA 1 1 1 1646 1 1 102 SER HB2 H -6.297 -7.323 16.804 1.00 . A A . 102 SER HB2 1 1 1 1647 1 1 102 SER HB3 H -5.525 -8.394 15.639 1.00 . A A . 102 SER HB3 1 1 1 1648 1 1 102 SER HG H -4.080 -6.524 17.198 1.00 . A A . 102 SER HG 1 1 1 1649 1 1 102 SER N N -6.413 -5.286 15.494 1.00 . A A . 102 SER N 1 1 1 1650 1 1 102 SER O O -6.791 -7.040 13.342 1.00 . A A . 102 SER O 1 1 1 1651 1 1 102 SER OG O -4.258 -7.435 16.951 1.00 . A A . 102 SER OG 1 1 1 1652 1 1 103 CYS C C -3.681 -8.716 11.377 1.00 . A A . 103 CYS C 1 1 1 1653 1 1 103 CYS CA C -4.802 -7.716 11.641 1.00 . A A . 103 CYS CA 1 1 1 1654 1 1 103 CYS CB C -4.727 -6.594 10.612 1.00 . A A . 103 CYS CB 1 1 1 1655 1 1 103 CYS H H -3.719 -7.017 13.363 1.00 . A A . 103 CYS H 1 1 1 1656 1 1 103 CYS HA H -5.760 -8.209 11.570 1.00 . A A . 103 CYS HA 1 1 1 1657 1 1 103 CYS HB2 H -4.018 -5.848 10.942 1.00 . A A . 103 CYS HB2 1 1 1 1658 1 1 103 CYS HB3 H -4.412 -6.997 9.661 1.00 . A A . 103 CYS HB3 1 1 1 1659 1 1 103 CYS N N -4.622 -7.157 13.010 1.00 . A A . 103 CYS N 1 1 1 1660 1 1 103 CYS O O -2.736 -8.416 10.677 1.00 . A A . 103 CYS O 1 1 1 1661 1 1 103 CYS SG S -6.358 -5.839 10.437 1.00 . A A . 103 CYS SG 1 1 1 1662 1 1 104 PRO C C -2.587 -11.342 10.389 1.00 . A A . 104 PRO C 1 1 1 1663 1 1 104 PRO CA C -2.819 -10.943 11.851 1.00 . A A . 104 PRO CA 1 1 1 1664 1 1 104 PRO CB C -3.413 -12.118 12.643 1.00 . A A . 104 PRO CB 1 1 1 1665 1 1 104 PRO CD C -4.983 -10.192 12.810 1.00 . A A . 104 PRO CD 1 1 1 1666 1 1 104 PRO CG C -4.760 -11.646 13.248 1.00 . A A . 104 PRO CG 1 1 1 1667 1 1 104 PRO HA H -1.889 -10.639 12.304 1.00 . A A . 104 PRO HA 1 1 1 1668 1 1 104 PRO HB2 H -3.580 -12.958 11.982 1.00 . A A . 104 PRO HB2 1 1 1 1669 1 1 104 PRO HB3 H -2.741 -12.403 13.437 1.00 . A A . 104 PRO HB3 1 1 1 1670 1 1 104 PRO HD2 H -5.896 -10.108 12.237 1.00 . A A . 104 PRO HD2 1 1 1 1671 1 1 104 PRO HD3 H -5.014 -9.540 13.668 1.00 . A A . 104 PRO HD3 1 1 1 1672 1 1 104 PRO HG2 H -5.564 -12.269 12.881 1.00 . A A . 104 PRO HG2 1 1 1 1673 1 1 104 PRO HG3 H -4.716 -11.697 14.325 1.00 . A A . 104 PRO HG3 1 1 1 1674 1 1 104 PRO N N -3.816 -9.868 11.971 1.00 . A A . 104 PRO N 1 1 1 1675 1 1 104 PRO O O -3.169 -12.288 9.896 1.00 . A A . 104 PRO O 1 1 1 1676 1 1 105 VAL C C -0.573 -12.325 8.374 1.00 . A A . 105 VAL C 1 1 1 1677 1 1 105 VAL CA C -1.422 -11.053 8.297 1.00 . A A . 105 VAL CA 1 1 1 1678 1 1 105 VAL CB C -0.669 -9.916 7.575 1.00 . A A . 105 VAL CB 1 1 1 1679 1 1 105 VAL CG1 C 0.840 -10.046 7.791 1.00 . A A . 105 VAL CG1 1 1 1 1680 1 1 105 VAL CG2 C -0.971 -9.977 6.076 1.00 . A A . 105 VAL CG2 1 1 1 1681 1 1 105 VAL H H -1.219 -9.922 10.117 1.00 . A A . 105 VAL H 1 1 1 1682 1 1 105 VAL HA H -2.350 -11.267 7.783 1.00 . A A . 105 VAL HA 1 1 1 1683 1 1 105 VAL HB H -1.002 -8.965 7.966 1.00 . A A . 105 VAL HB 1 1 1 1684 1 1 105 VAL HG11 H 1.048 -10.128 8.847 1.00 . A A . 105 VAL HG11 1 1 1 1685 1 1 105 VAL HG12 H 1.202 -10.927 7.282 1.00 . A A . 105 VAL HG12 1 1 1 1686 1 1 105 VAL HG13 H 1.337 -9.172 7.394 1.00 . A A . 105 VAL HG13 1 1 1 1687 1 1 105 VAL HG21 H -1.403 -10.936 5.833 1.00 . A A . 105 VAL HG21 1 1 1 1688 1 1 105 VAL HG22 H -1.668 -9.192 5.816 1.00 . A A . 105 VAL HG22 1 1 1 1689 1 1 105 VAL HG23 H -0.056 -9.844 5.519 1.00 . A A . 105 VAL HG23 1 1 1 1690 1 1 105 VAL N N -1.710 -10.660 9.702 1.00 . A A . 105 VAL N 1 1 1 1691 1 1 105 VAL O O 0.424 -12.368 9.070 1.00 . A A . 105 VAL O 1 1 1 1692 1 1 106 LYS C C -0.409 -15.617 6.719 1.00 . A A . 106 LYS C 1 1 1 1693 1 1 106 LYS CA C -0.165 -14.636 7.871 1.00 . A A . 106 LYS CA 1 1 1 1694 1 1 106 LYS CB C -0.538 -15.314 9.190 1.00 . A A . 106 LYS CB 1 1 1 1695 1 1 106 LYS CD C 0.193 -15.683 11.550 1.00 . A A . 106 LYS CD 1 1 1 1696 1 1 106 LYS CE C -0.105 -17.187 11.555 1.00 . A A . 106 LYS CE 1 1 1 1697 1 1 106 LYS CG C 0.648 -15.256 10.151 1.00 . A A . 106 LYS CG 1 1 1 1698 1 1 106 LYS H H -1.799 -13.381 7.209 1.00 . A A . 106 LYS H 1 1 1 1699 1 1 106 LYS HA H 0.882 -14.377 7.898 1.00 . A A . 106 LYS HA 1 1 1 1700 1 1 106 LYS HB2 H -1.383 -14.804 9.630 1.00 . A A . 106 LYS HB2 1 1 1 1701 1 1 106 LYS HB3 H -0.797 -16.345 9.004 1.00 . A A . 106 LYS HB3 1 1 1 1702 1 1 106 LYS HD2 H 0.975 -15.466 12.263 1.00 . A A . 106 LYS HD2 1 1 1 1703 1 1 106 LYS HD3 H -0.701 -15.138 11.821 1.00 . A A . 106 LYS HD3 1 1 1 1704 1 1 106 LYS HE2 H -0.723 -17.432 12.407 1.00 . A A . 106 LYS HE2 1 1 1 1705 1 1 106 LYS HE3 H -0.625 -17.454 10.647 1.00 . A A . 106 LYS HE3 1 1 1 1706 1 1 106 LYS HG2 H 1.423 -15.924 9.804 1.00 . A A . 106 LYS HG2 1 1 1 1707 1 1 106 LYS HG3 H 1.031 -14.246 10.190 1.00 . A A . 106 LYS HG3 1 1 1 1708 1 1 106 LYS HZ1 H 1.864 -17.530 10.973 1.00 . A A . 106 LYS HZ1 1 1 1 1709 1 1 106 LYS HZ2 H 1.552 -17.894 12.602 1.00 . A A . 106 LYS HZ2 1 1 1 1710 1 1 106 LYS HZ3 H 1.009 -18.939 11.381 1.00 . A A . 106 LYS HZ3 1 1 1 1711 1 1 106 LYS N N -0.971 -13.390 7.733 1.00 . A A . 106 LYS N 1 1 1 1712 1 1 106 LYS NZ N 1.177 -17.945 11.633 1.00 . A A . 106 LYS NZ 1 1 1 1713 1 1 106 LYS O O 0.500 -16.304 6.304 1.00 . A A . 106 LYS O 1 1 1 1714 1 1 107 GLU C C -1.267 -16.153 3.792 1.00 . A A . 107 GLU C 1 1 1 1715 1 1 107 GLU CA C -1.846 -16.702 5.104 1.00 . A A . 107 GLU CA 1 1 1 1716 1 1 107 GLU CB C -3.351 -17.012 4.973 1.00 . A A . 107 GLU CB 1 1 1 1717 1 1 107 GLU CD C -5.590 -15.900 4.918 1.00 . A A . 107 GLU CD 1 1 1 1718 1 1 107 GLU CG C -4.131 -15.791 4.472 1.00 . A A . 107 GLU CG 1 1 1 1719 1 1 107 GLU H H -2.349 -15.183 6.562 1.00 . A A . 107 GLU H 1 1 1 1720 1 1 107 GLU HA H -1.323 -17.618 5.344 1.00 . A A . 107 GLU HA 1 1 1 1721 1 1 107 GLU HB2 H -3.486 -17.828 4.278 1.00 . A A . 107 GLU HB2 1 1 1 1722 1 1 107 GLU HB3 H -3.736 -17.305 5.940 1.00 . A A . 107 GLU HB3 1 1 1 1723 1 1 107 GLU HG2 H -3.694 -14.891 4.875 1.00 . A A . 107 GLU HG2 1 1 1 1724 1 1 107 GLU HG3 H -4.094 -15.761 3.393 1.00 . A A . 107 GLU HG3 1 1 1 1725 1 1 107 GLU N N -1.611 -15.723 6.211 1.00 . A A . 107 GLU N 1 1 1 1726 1 1 107 GLU O O -1.937 -15.529 2.996 1.00 . A A . 107 GLU O 1 1 1 1727 1 1 107 GLU OE1 O -5.831 -15.832 6.112 1.00 . A A . 107 GLU OE1 1 1 1 1728 1 1 107 GLU OE2 O -6.442 -16.050 4.057 1.00 . A A . 107 GLU OE2 1 1 1 1729 1 1 108 ALA C C 2.079 -16.359 2.258 1.00 . A A . 108 ALA C 1 1 1 1730 1 1 108 ALA CA C 0.629 -15.883 2.322 1.00 . A A . 108 ALA CA 1 1 1 1731 1 1 108 ALA CB C 0.603 -14.356 2.317 1.00 . A A . 108 ALA CB 1 1 1 1732 1 1 108 ALA H H 0.525 -16.891 4.210 1.00 . A A . 108 ALA H 1 1 1 1733 1 1 108 ALA HA H 0.088 -16.255 1.465 1.00 . A A . 108 ALA HA 1 1 1 1734 1 1 108 ALA HB1 H -0.345 -14.008 2.696 1.00 . A A . 108 ALA HB1 1 1 1 1735 1 1 108 ALA HB2 H 1.399 -13.980 2.940 1.00 . A A . 108 ALA HB2 1 1 1 1736 1 1 108 ALA HB3 H 0.737 -14.000 1.308 1.00 . A A . 108 ALA HB3 1 1 1 1737 1 1 108 ALA N N -0.006 -16.385 3.564 1.00 . A A . 108 ALA N 1 1 1 1738 1 1 108 ALA O O 2.790 -16.362 3.243 1.00 . A A . 108 ALA O 1 1 1 1739 1 1 109 ASP C C 4.784 -15.972 0.589 1.00 . A A . 109 ASP C 1 1 1 1740 1 1 109 ASP CA C 3.932 -17.186 0.951 1.00 . A A . 109 ASP CA 1 1 1 1741 1 1 109 ASP CB C 4.030 -18.238 -0.155 1.00 . A A . 109 ASP CB 1 1 1 1742 1 1 109 ASP CG C 3.994 -19.636 0.467 1.00 . A A . 109 ASP CG 1 1 1 1743 1 1 109 ASP H H 1.937 -16.708 0.313 1.00 . A A . 109 ASP H 1 1 1 1744 1 1 109 ASP HA H 4.276 -17.605 1.886 1.00 . A A . 109 ASP HA 1 1 1 1745 1 1 109 ASP HB2 H 3.199 -18.124 -0.835 1.00 . A A . 109 ASP HB2 1 1 1 1746 1 1 109 ASP HB3 H 4.957 -18.110 -0.693 1.00 . A A . 109 ASP HB3 1 1 1 1747 1 1 109 ASP N N 2.525 -16.737 1.096 1.00 . A A . 109 ASP N 1 1 1 1748 1 1 109 ASP O O 4.318 -14.850 0.613 1.00 . A A . 109 ASP O 1 1 1 1749 1 1 109 ASP OD1 O 4.822 -19.903 1.322 1.00 . A A . 109 ASP OD1 1 1 1 1750 1 1 109 ASP OD2 O 3.138 -20.414 0.078 1.00 . A A . 109 ASP OD2 1 1 1 1751 1 1 110 GLN C C 6.635 -14.613 -1.543 1.00 . A A . 110 GLN C 1 1 1 1752 1 1 110 GLN CA C 6.887 -15.014 -0.090 1.00 . A A . 110 GLN CA 1 1 1 1753 1 1 110 GLN CB C 8.356 -15.400 0.078 1.00 . A A . 110 GLN CB 1 1 1 1754 1 1 110 GLN CD C 9.414 -15.066 2.316 1.00 . A A . 110 GLN CD 1 1 1 1755 1 1 110 GLN CG C 9.060 -14.392 0.990 1.00 . A A . 110 GLN CG 1 1 1 1756 1 1 110 GLN H H 6.392 -17.083 0.250 1.00 . A A . 110 GLN H 1 1 1 1757 1 1 110 GLN HA H 6.650 -14.183 0.559 1.00 . A A . 110 GLN HA 1 1 1 1758 1 1 110 GLN HB2 H 8.417 -16.385 0.515 1.00 . A A . 110 GLN HB2 1 1 1 1759 1 1 110 GLN HB3 H 8.836 -15.404 -0.887 1.00 . A A . 110 GLN HB3 1 1 1 1760 1 1 110 GLN HE21 H 9.204 -13.404 3.382 1.00 . A A . 110 GLN HE21 1 1 1 1761 1 1 110 GLN HE22 H 9.647 -14.783 4.267 1.00 . A A . 110 GLN HE22 1 1 1 1762 1 1 110 GLN HG2 H 9.964 -14.045 0.510 1.00 . A A . 110 GLN HG2 1 1 1 1763 1 1 110 GLN HG3 H 8.408 -13.552 1.177 1.00 . A A . 110 GLN HG3 1 1 1 1764 1 1 110 GLN N N 6.025 -16.175 0.262 1.00 . A A . 110 GLN N 1 1 1 1765 1 1 110 GLN NE2 N 9.423 -14.359 3.414 1.00 . A A . 110 GLN NE2 1 1 1 1766 1 1 110 GLN O O 7.218 -15.156 -2.459 1.00 . A A . 110 GLN O 1 1 1 1767 1 1 110 GLN OE1 O 9.685 -16.251 2.357 1.00 . A A . 110 GLN OE1 1 1 1 1768 1 1 111 SER C C 6.451 -12.038 -3.452 1.00 . A A . 111 SER C 1 1 1 1769 1 1 111 SER CA C 5.508 -13.197 -3.146 1.00 . A A . 111 SER CA 1 1 1 1770 1 1 111 SER CB C 4.051 -12.731 -3.240 1.00 . A A . 111 SER CB 1 1 1 1771 1 1 111 SER H H 5.337 -13.214 -1.001 1.00 . A A . 111 SER H 1 1 1 1772 1 1 111 SER HA H 5.683 -14.007 -3.839 1.00 . A A . 111 SER HA 1 1 1 1773 1 1 111 SER HB2 H 3.494 -13.410 -3.863 1.00 . A A . 111 SER HB2 1 1 1 1774 1 1 111 SER HB3 H 3.619 -12.721 -2.249 1.00 . A A . 111 SER HB3 1 1 1 1775 1 1 111 SER HG H 3.077 -11.151 -3.824 1.00 . A A . 111 SER HG 1 1 1 1776 1 1 111 SER N N 5.785 -13.652 -1.757 1.00 . A A . 111 SER N 1 1 1 1777 1 1 111 SER O O 7.219 -11.636 -2.612 1.00 . A A . 111 SER O 1 1 1 1778 1 1 111 SER OG O 3.995 -11.428 -3.806 1.00 . A A . 111 SER OG 1 1 1 1779 1 1 112 THR C C 6.498 -9.053 -4.821 1.00 . A A . 112 THR C 1 1 1 1780 1 1 112 THR CA C 7.306 -10.345 -4.934 1.00 . A A . 112 THR CA 1 1 1 1781 1 1 112 THR CB C 7.866 -10.489 -6.351 1.00 . A A . 112 THR CB 1 1 1 1782 1 1 112 THR CG2 C 8.620 -11.814 -6.467 1.00 . A A . 112 THR CG2 1 1 1 1783 1 1 112 THR H H 5.776 -11.817 -5.305 1.00 . A A . 112 THR H 1 1 1 1784 1 1 112 THR HA H 8.119 -10.326 -4.222 1.00 . A A . 112 THR HA 1 1 1 1785 1 1 112 THR HB H 8.545 -9.675 -6.554 1.00 . A A . 112 THR HB 1 1 1 1786 1 1 112 THR HG1 H 6.773 -11.312 -7.732 1.00 . A A . 112 THR HG1 1 1 1 1787 1 1 112 THR HG21 H 8.043 -12.599 -6.001 1.00 . A A . 112 THR HG21 1 1 1 1788 1 1 112 THR HG22 H 8.773 -12.051 -7.509 1.00 . A A . 112 THR HG22 1 1 1 1789 1 1 112 THR HG23 H 9.577 -11.729 -5.973 1.00 . A A . 112 THR HG23 1 1 1 1790 1 1 112 THR N N 6.406 -11.489 -4.630 1.00 . A A . 112 THR N 1 1 1 1791 1 1 112 THR O O 5.355 -8.993 -5.230 1.00 . A A . 112 THR O 1 1 1 1792 1 1 112 THR OG1 O 6.798 -10.461 -7.287 1.00 . A A . 112 THR OG1 1 1 1 1793 1 1 113 LEU C C 5.905 -6.212 -5.512 1.00 . A A . 113 LEU C 1 1 1 1794 1 1 113 LEU CA C 6.294 -6.747 -4.128 1.00 . A A . 113 LEU CA 1 1 1 1795 1 1 113 LEU CB C 7.117 -5.691 -3.387 1.00 . A A . 113 LEU CB 1 1 1 1796 1 1 113 LEU CD1 C 5.901 -4.908 -1.344 1.00 . A A . 113 LEU CD1 1 1 1 1797 1 1 113 LEU CD2 C 6.789 -3.242 -2.976 1.00 . A A . 113 LEU CD2 1 1 1 1798 1 1 113 LEU CG C 6.165 -4.630 -2.825 1.00 . A A . 113 LEU CG 1 1 1 1799 1 1 113 LEU H H 7.985 -8.074 -3.928 1.00 . A A . 113 LEU H 1 1 1 1800 1 1 113 LEU HA H 5.393 -6.945 -3.567 1.00 . A A . 113 LEU HA 1 1 1 1801 1 1 113 LEU HB2 H 7.660 -6.159 -2.578 1.00 . A A . 113 LEU HB2 1 1 1 1802 1 1 113 LEU HB3 H 7.811 -5.226 -4.070 1.00 . A A . 113 LEU HB3 1 1 1 1803 1 1 113 LEU HD11 H 6.841 -5.060 -0.834 1.00 . A A . 113 LEU HD11 1 1 1 1804 1 1 113 LEU HD12 H 5.386 -4.066 -0.906 1.00 . A A . 113 LEU HD12 1 1 1 1805 1 1 113 LEU HD13 H 5.291 -5.793 -1.246 1.00 . A A . 113 LEU HD13 1 1 1 1806 1 1 113 LEU HD21 H 7.857 -3.336 -3.067 1.00 . A A . 113 LEU HD21 1 1 1 1807 1 1 113 LEU HD22 H 6.391 -2.763 -3.860 1.00 . A A . 113 LEU HD22 1 1 1 1808 1 1 113 LEU HD23 H 6.554 -2.646 -2.106 1.00 . A A . 113 LEU HD23 1 1 1 1809 1 1 113 LEU HG H 5.230 -4.667 -3.367 1.00 . A A . 113 LEU HG 1 1 1 1810 1 1 113 LEU N N 7.065 -8.016 -4.262 1.00 . A A . 113 LEU N 1 1 1 1811 1 1 113 LEU O O 5.058 -5.357 -5.627 1.00 . A A . 113 LEU O 1 1 1 1812 1 1 114 GLU C C 4.663 -6.575 -8.189 1.00 . A A . 114 GLU C 1 1 1 1813 1 1 114 GLU CA C 6.122 -6.199 -7.914 1.00 . A A . 114 GLU CA 1 1 1 1814 1 1 114 GLU CB C 7.022 -6.847 -8.968 1.00 . A A . 114 GLU CB 1 1 1 1815 1 1 114 GLU CD C 8.774 -6.422 -10.696 1.00 . A A . 114 GLU CD 1 1 1 1816 1 1 114 GLU CG C 7.934 -5.786 -9.588 1.00 . A A . 114 GLU CG 1 1 1 1817 1 1 114 GLU H H 7.188 -7.389 -6.477 1.00 . A A . 114 GLU H 1 1 1 1818 1 1 114 GLU HA H 6.234 -5.127 -7.949 1.00 . A A . 114 GLU HA 1 1 1 1819 1 1 114 GLU HB2 H 7.625 -7.613 -8.503 1.00 . A A . 114 GLU HB2 1 1 1 1820 1 1 114 GLU HB3 H 6.411 -7.289 -9.740 1.00 . A A . 114 GLU HB3 1 1 1 1821 1 1 114 GLU HG2 H 7.330 -4.991 -10.003 1.00 . A A . 114 GLU HG2 1 1 1 1822 1 1 114 GLU HG3 H 8.587 -5.383 -8.828 1.00 . A A . 114 GLU HG3 1 1 1 1823 1 1 114 GLU N N 6.501 -6.700 -6.566 1.00 . A A . 114 GLU N 1 1 1 1824 1 1 114 GLU O O 3.849 -5.744 -8.550 1.00 . A A . 114 GLU O 1 1 1 1825 1 1 114 GLU OE1 O 9.490 -7.364 -10.402 1.00 . A A . 114 GLU OE1 1 1 1 1826 1 1 114 GLU OE2 O 8.686 -5.956 -11.820 1.00 . A A . 114 GLU OE2 1 1 1 1827 1 1 115 ASN C C 2.015 -7.823 -7.119 1.00 . A A . 115 ASN C 1 1 1 1828 1 1 115 ASN CA C 2.930 -8.275 -8.265 1.00 . A A . 115 ASN CA 1 1 1 1829 1 1 115 ASN CB C 2.902 -9.804 -8.362 1.00 . A A . 115 ASN CB 1 1 1 1830 1 1 115 ASN CG C 2.021 -10.243 -9.536 1.00 . A A . 115 ASN CG 1 1 1 1831 1 1 115 ASN H H 5.007 -8.470 -7.725 1.00 . A A . 115 ASN H 1 1 1 1832 1 1 115 ASN HA H 2.577 -7.849 -9.192 1.00 . A A . 115 ASN HA 1 1 1 1833 1 1 115 ASN HB2 H 3.907 -10.171 -8.511 1.00 . A A . 115 ASN HB2 1 1 1 1834 1 1 115 ASN HB3 H 2.505 -10.213 -7.446 1.00 . A A . 115 ASN HB3 1 1 1 1835 1 1 115 ASN HD21 H 2.393 -12.174 -9.272 1.00 . A A . 115 ASN HD21 1 1 1 1836 1 1 115 ASN HD22 H 1.354 -11.806 -10.561 1.00 . A A . 115 ASN HD22 1 1 1 1837 1 1 115 ASN N N 4.330 -7.824 -8.017 1.00 . A A . 115 ASN N 1 1 1 1838 1 1 115 ASN ND2 N 1.914 -11.513 -9.814 1.00 . A A . 115 ASN ND2 1 1 1 1839 1 1 115 ASN O O 0.815 -7.752 -7.276 1.00 . A A . 115 ASN O 1 1 1 1840 1 1 115 ASN OD1 O 1.422 -9.425 -10.208 1.00 . A A . 115 ASN OD1 1 1 1 1841 1 1 116 PHE C C 1.148 -5.680 -5.147 1.00 . A A . 116 PHE C 1 1 1 1842 1 1 116 PHE CA C 1.700 -7.074 -4.838 1.00 . A A . 116 PHE CA 1 1 1 1843 1 1 116 PHE CB C 2.529 -7.029 -3.553 1.00 . A A . 116 PHE CB 1 1 1 1844 1 1 116 PHE CD1 C 0.622 -6.931 -1.908 1.00 . A A . 116 PHE CD1 1 1 1 1845 1 1 116 PHE CD2 C 2.152 -5.054 -2.033 1.00 . A A . 116 PHE CD2 1 1 1 1846 1 1 116 PHE CE1 C -0.101 -6.275 -0.904 1.00 . A A . 116 PHE CE1 1 1 1 1847 1 1 116 PHE CE2 C 1.429 -4.398 -1.030 1.00 . A A . 116 PHE CE2 1 1 1 1848 1 1 116 PHE CG C 1.748 -6.321 -2.472 1.00 . A A . 116 PHE CG 1 1 1 1849 1 1 116 PHE CZ C 0.302 -5.008 -0.465 1.00 . A A . 116 PHE CZ 1 1 1 1850 1 1 116 PHE H H 3.532 -7.583 -5.854 1.00 . A A . 116 PHE H 1 1 1 1851 1 1 116 PHE HA H 0.879 -7.767 -4.714 1.00 . A A . 116 PHE HA 1 1 1 1852 1 1 116 PHE HB2 H 2.753 -8.036 -3.234 1.00 . A A . 116 PHE HB2 1 1 1 1853 1 1 116 PHE HB3 H 3.450 -6.497 -3.737 1.00 . A A . 116 PHE HB3 1 1 1 1854 1 1 116 PHE HD1 H 0.310 -7.909 -2.246 1.00 . A A . 116 PHE HD1 1 1 1 1855 1 1 116 PHE HD2 H 3.021 -4.583 -2.468 1.00 . A A . 116 PHE HD2 1 1 1 1856 1 1 116 PHE HE1 H -0.970 -6.746 -0.470 1.00 . A A . 116 PHE HE1 1 1 1 1857 1 1 116 PHE HE2 H 1.740 -3.421 -0.691 1.00 . A A . 116 PHE HE2 1 1 1 1858 1 1 116 PHE HZ H -0.256 -4.502 0.309 1.00 . A A . 116 PHE HZ 1 1 1 1859 1 1 116 PHE N N 2.562 -7.520 -5.971 1.00 . A A . 116 PHE N 1 1 1 1860 1 1 116 PHE O O -0.048 -5.466 -5.176 1.00 . A A . 116 PHE O 1 1 1 1861 1 1 117 LEU C C 0.685 -3.408 -6.966 1.00 . A A . 117 LEU C 1 1 1 1862 1 1 117 LEU CA C 1.548 -3.357 -5.709 1.00 . A A . 117 LEU CA 1 1 1 1863 1 1 117 LEU CB C 2.754 -2.447 -5.964 1.00 . A A . 117 LEU CB 1 1 1 1864 1 1 117 LEU CD1 C 4.401 -0.873 -4.944 1.00 . A A . 117 LEU CD1 1 1 1 1865 1 1 117 LEU CD2 C 2.054 -0.920 -4.101 1.00 . A A . 117 LEU CD2 1 1 1 1866 1 1 117 LEU CG C 3.197 -1.773 -4.660 1.00 . A A . 117 LEU CG 1 1 1 1867 1 1 117 LEU H H 2.965 -4.931 -5.366 1.00 . A A . 117 LEU H 1 1 1 1868 1 1 117 LEU HA H 0.964 -2.974 -4.887 1.00 . A A . 117 LEU HA 1 1 1 1869 1 1 117 LEU HB2 H 3.569 -3.037 -6.358 1.00 . A A . 117 LEU HB2 1 1 1 1870 1 1 117 LEU HB3 H 2.482 -1.688 -6.683 1.00 . A A . 117 LEU HB3 1 1 1 1871 1 1 117 LEU HD11 H 4.974 -1.282 -5.763 1.00 . A A . 117 LEU HD11 1 1 1 1872 1 1 117 LEU HD12 H 4.056 0.117 -5.205 1.00 . A A . 117 LEU HD12 1 1 1 1873 1 1 117 LEU HD13 H 5.025 -0.814 -4.063 1.00 . A A . 117 LEU HD13 1 1 1 1874 1 1 117 LEU HD21 H 1.293 -0.797 -4.858 1.00 . A A . 117 LEU HD21 1 1 1 1875 1 1 117 LEU HD22 H 1.626 -1.410 -3.238 1.00 . A A . 117 LEU HD22 1 1 1 1876 1 1 117 LEU HD23 H 2.435 0.048 -3.812 1.00 . A A . 117 LEU HD23 1 1 1 1877 1 1 117 LEU HG H 3.474 -2.530 -3.940 1.00 . A A . 117 LEU HG 1 1 1 1878 1 1 117 LEU N N 2.013 -4.734 -5.388 1.00 . A A . 117 LEU N 1 1 1 1879 1 1 117 LEU O O -0.257 -2.659 -7.113 1.00 . A A . 117 LEU O 1 1 1 1880 1 1 118 GLU C C -1.263 -4.685 -8.744 1.00 . A A . 118 GLU C 1 1 1 1881 1 1 118 GLU CA C 0.189 -4.387 -9.122 1.00 . A A . 118 GLU CA 1 1 1 1882 1 1 118 GLU CB C 0.742 -5.514 -9.999 1.00 . A A . 118 GLU CB 1 1 1 1883 1 1 118 GLU CD C 0.511 -5.896 -12.458 1.00 . A A . 118 GLU CD 1 1 1 1884 1 1 118 GLU CG C -0.242 -5.825 -11.129 1.00 . A A . 118 GLU CG 1 1 1 1885 1 1 118 GLU H H 1.767 -4.886 -7.741 1.00 . A A . 118 GLU H 1 1 1 1886 1 1 118 GLU HA H 0.237 -3.453 -9.659 1.00 . A A . 118 GLU HA 1 1 1 1887 1 1 118 GLU HB2 H 1.688 -5.208 -10.422 1.00 . A A . 118 GLU HB2 1 1 1 1888 1 1 118 GLU HB3 H 0.888 -6.399 -9.398 1.00 . A A . 118 GLU HB3 1 1 1 1889 1 1 118 GLU HG2 H -0.722 -6.773 -10.935 1.00 . A A . 118 GLU HG2 1 1 1 1890 1 1 118 GLU HG3 H -0.988 -5.047 -11.183 1.00 . A A . 118 GLU HG3 1 1 1 1891 1 1 118 GLU N N 0.999 -4.289 -7.878 1.00 . A A . 118 GLU N 1 1 1 1892 1 1 118 GLU O O -2.178 -4.023 -9.187 1.00 . A A . 118 GLU O 1 1 1 1893 1 1 118 GLU OE1 O 1.588 -6.470 -12.478 1.00 . A A . 118 GLU OE1 1 1 1 1894 1 1 118 GLU OE2 O -0.001 -5.374 -13.435 1.00 . A A . 118 GLU OE2 1 1 1 1895 1 1 119 ARG C C -3.434 -4.925 -6.601 1.00 . A A . 119 ARG C 1 1 1 1896 1 1 119 ARG CA C -2.857 -6.029 -7.492 1.00 . A A . 119 ARG CA 1 1 1 1897 1 1 119 ARG CB C -2.821 -7.338 -6.701 1.00 . A A . 119 ARG CB 1 1 1 1898 1 1 119 ARG CD C -3.678 -9.193 -8.131 1.00 . A A . 119 ARG CD 1 1 1 1899 1 1 119 ARG CG C -2.420 -8.487 -7.627 1.00 . A A . 119 ARG CG 1 1 1 1900 1 1 119 ARG CZ C -4.174 -10.915 -9.790 1.00 . A A . 119 ARG CZ 1 1 1 1901 1 1 119 ARG H H -0.713 -6.182 -7.574 1.00 . A A . 119 ARG H 1 1 1 1902 1 1 119 ARG HA H -3.488 -6.152 -8.364 1.00 . A A . 119 ARG HA 1 1 1 1903 1 1 119 ARG HB2 H -2.100 -7.254 -5.900 1.00 . A A . 119 ARG HB2 1 1 1 1904 1 1 119 ARG HB3 H -3.797 -7.537 -6.288 1.00 . A A . 119 ARG HB3 1 1 1 1905 1 1 119 ARG HD2 H -4.062 -9.841 -7.358 1.00 . A A . 119 ARG HD2 1 1 1 1906 1 1 119 ARG HD3 H -4.427 -8.457 -8.388 1.00 . A A . 119 ARG HD3 1 1 1 1907 1 1 119 ARG HE H -2.488 -9.859 -9.794 1.00 . A A . 119 ARG HE 1 1 1 1908 1 1 119 ARG HG2 H -1.864 -8.095 -8.466 1.00 . A A . 119 ARG HG2 1 1 1 1909 1 1 119 ARG HG3 H -1.807 -9.190 -7.085 1.00 . A A . 119 ARG HG3 1 1 1 1910 1 1 119 ARG HH11 H -5.597 -10.616 -8.398 1.00 . A A . 119 ARG HH11 1 1 1 1911 1 1 119 ARG HH12 H -5.941 -11.836 -9.571 1.00 . A A . 119 ARG HH12 1 1 1 1912 1 1 119 ARG HH21 H -2.969 -11.449 -11.299 1.00 . A A . 119 ARG HH21 1 1 1 1913 1 1 119 ARG HH22 H -4.471 -12.306 -11.200 1.00 . A A . 119 ARG HH22 1 1 1 1914 1 1 119 ARG N N -1.472 -5.674 -7.919 1.00 . A A . 119 ARG N 1 1 1 1915 1 1 119 ARG NE N -3.343 -10.005 -9.336 1.00 . A A . 119 ARG NE 1 1 1 1916 1 1 119 ARG NH1 N -5.326 -11.137 -9.205 1.00 . A A . 119 ARG NH1 1 1 1 1917 1 1 119 ARG NH2 N -3.846 -11.611 -10.846 1.00 . A A . 119 ARG NH2 1 1 1 1918 1 1 119 ARG O O -4.627 -4.844 -6.405 1.00 . A A . 119 ARG O 1 1 1 1919 1 1 120 LEU C C -3.786 -1.914 -6.054 1.00 . A A . 120 LEU C 1 1 1 1920 1 1 120 LEU CA C -3.137 -2.991 -5.181 1.00 . A A . 120 LEU CA 1 1 1 1921 1 1 120 LEU CB C -1.993 -2.378 -4.371 1.00 . A A . 120 LEU CB 1 1 1 1922 1 1 120 LEU CD1 C -0.978 -2.368 -2.086 1.00 . A A . 120 LEU CD1 1 1 1 1923 1 1 120 LEU CD2 C -3.304 -1.522 -2.425 1.00 . A A . 120 LEU CD2 1 1 1 1924 1 1 120 LEU CG C -2.273 -2.558 -2.877 1.00 . A A . 120 LEU CG 1 1 1 1925 1 1 120 LEU H H -1.643 -4.152 -6.208 1.00 . A A . 120 LEU H 1 1 1 1926 1 1 120 LEU HA H -3.875 -3.401 -4.507 1.00 . A A . 120 LEU HA 1 1 1 1927 1 1 120 LEU HB2 H -1.065 -2.871 -4.627 1.00 . A A . 120 LEU HB2 1 1 1 1928 1 1 120 LEU HB3 H -1.915 -1.325 -4.596 1.00 . A A . 120 LEU HB3 1 1 1 1929 1 1 120 LEU HD11 H -0.137 -2.667 -2.693 1.00 . A A . 120 LEU HD11 1 1 1 1930 1 1 120 LEU HD12 H -0.873 -1.328 -1.813 1.00 . A A . 120 LEU HD12 1 1 1 1931 1 1 120 LEU HD13 H -1.010 -2.973 -1.192 1.00 . A A . 120 LEU HD13 1 1 1 1932 1 1 120 LEU HD21 H -3.396 -0.752 -3.177 1.00 . A A . 120 LEU HD21 1 1 1 1933 1 1 120 LEU HD22 H -4.260 -2.002 -2.282 1.00 . A A . 120 LEU HD22 1 1 1 1934 1 1 120 LEU HD23 H -2.982 -1.076 -1.495 1.00 . A A . 120 LEU HD23 1 1 1 1935 1 1 120 LEU HG H -2.658 -3.552 -2.702 1.00 . A A . 120 LEU HG 1 1 1 1936 1 1 120 LEU N N -2.606 -4.076 -6.053 1.00 . A A . 120 LEU N 1 1 1 1937 1 1 120 LEU O O -4.814 -1.369 -5.718 1.00 . A A . 120 LEU O 1 1 1 1938 1 1 121 LYS C C -5.004 -1.136 -8.780 1.00 . A A . 121 LYS C 1 1 1 1939 1 1 121 LYS CA C -3.774 -0.570 -8.076 1.00 . A A . 121 LYS CA 1 1 1 1940 1 1 121 LYS CB C -2.744 -0.190 -9.138 1.00 . A A . 121 LYS CB 1 1 1 1941 1 1 121 LYS CD C -2.259 1.491 -10.923 1.00 . A A . 121 LYS CD 1 1 1 1942 1 1 121 LYS CE C -2.855 0.598 -12.013 1.00 . A A . 121 LYS CE 1 1 1 1943 1 1 121 LYS CG C -2.990 1.248 -9.601 1.00 . A A . 121 LYS CG 1 1 1 1944 1 1 121 LYS H H -2.367 -2.066 -7.431 1.00 . A A . 121 LYS H 1 1 1 1945 1 1 121 LYS HA H -4.048 0.302 -7.503 1.00 . A A . 121 LYS HA 1 1 1 1946 1 1 121 LYS HB2 H -1.751 -0.274 -8.723 1.00 . A A . 121 LYS HB2 1 1 1 1947 1 1 121 LYS HB3 H -2.839 -0.858 -9.981 1.00 . A A . 121 LYS HB3 1 1 1 1948 1 1 121 LYS HD2 H -2.366 2.528 -11.207 1.00 . A A . 121 LYS HD2 1 1 1 1949 1 1 121 LYS HD3 H -1.211 1.258 -10.803 1.00 . A A . 121 LYS HD3 1 1 1 1950 1 1 121 LYS HE2 H -2.500 -0.414 -11.885 1.00 . A A . 121 LYS HE2 1 1 1 1951 1 1 121 LYS HE3 H -3.933 0.612 -11.941 1.00 . A A . 121 LYS HE3 1 1 1 1952 1 1 121 LYS HG2 H -4.051 1.402 -9.742 1.00 . A A . 121 LYS HG2 1 1 1 1953 1 1 121 LYS HG3 H -2.622 1.935 -8.856 1.00 . A A . 121 LYS HG3 1 1 1 1954 1 1 121 LYS HZ1 H -1.533 1.604 -13.266 1.00 . A A . 121 LYS HZ1 1 1 1 1955 1 1 121 LYS HZ2 H -2.334 0.303 -14.007 1.00 . A A . 121 LYS HZ2 1 1 1 1956 1 1 121 LYS HZ3 H -3.163 1.754 -13.717 1.00 . A A . 121 LYS HZ3 1 1 1 1957 1 1 121 LYS N N -3.193 -1.609 -7.176 1.00 . A A . 121 LYS N 1 1 1 1958 1 1 121 LYS NZ N -2.440 1.103 -13.352 1.00 . A A . 121 LYS NZ 1 1 1 1959 1 1 121 LYS O O -5.988 -0.457 -8.984 1.00 . A A . 121 LYS O 1 1 1 1960 1 1 122 THR C C -7.304 -3.076 -8.952 1.00 . A A . 122 THR C 1 1 1 1961 1 1 122 THR CA C -6.088 -3.002 -9.880 1.00 . A A . 122 THR CA 1 1 1 1962 1 1 122 THR CB C -5.714 -4.426 -10.332 1.00 . A A . 122 THR CB 1 1 1 1963 1 1 122 THR CG2 C -5.715 -4.500 -11.860 1.00 . A A . 122 THR CG2 1 1 1 1964 1 1 122 THR H H -4.122 -2.882 -8.995 1.00 . A A . 122 THR H 1 1 1 1965 1 1 122 THR HA H -6.339 -2.405 -10.741 1.00 . A A . 122 THR HA 1 1 1 1966 1 1 122 THR HB H -6.433 -5.124 -9.939 1.00 . A A . 122 THR HB 1 1 1 1967 1 1 122 THR HG1 H -4.047 -5.414 -10.462 1.00 . A A . 122 THR HG1 1 1 1 1968 1 1 122 THR HG21 H -6.050 -3.560 -12.271 1.00 . A A . 122 THR HG21 1 1 1 1969 1 1 122 THR HG22 H -4.713 -4.707 -12.208 1.00 . A A . 122 THR HG22 1 1 1 1970 1 1 122 THR HG23 H -6.376 -5.289 -12.181 1.00 . A A . 122 THR HG23 1 1 1 1971 1 1 122 THR N N -4.937 -2.373 -9.166 1.00 . A A . 122 THR N 1 1 1 1972 1 1 122 THR O O -8.416 -2.773 -9.338 1.00 . A A . 122 THR O 1 1 1 1973 1 1 122 THR OG1 O -4.426 -4.776 -9.853 1.00 . A A . 122 THR OG1 1 1 1 1974 1 1 123 ILE C C -8.796 -2.244 -6.408 1.00 . A A . 123 ILE C 1 1 1 1975 1 1 123 ILE CA C -8.229 -3.622 -6.775 1.00 . A A . 123 ILE CA 1 1 1 1976 1 1 123 ILE CB C -7.721 -4.309 -5.505 1.00 . A A . 123 ILE CB 1 1 1 1977 1 1 123 ILE CD1 C -8.553 -6.610 -6.060 1.00 . A A . 123 ILE CD1 1 1 1 1978 1 1 123 ILE CG1 C -7.308 -5.749 -5.826 1.00 . A A . 123 ILE CG1 1 1 1 1979 1 1 123 ILE CG2 C -8.827 -4.314 -4.448 1.00 . A A . 123 ILE CG2 1 1 1 1980 1 1 123 ILE H H -6.197 -3.749 -7.471 1.00 . A A . 123 ILE H 1 1 1 1981 1 1 123 ILE HA H -9.009 -4.221 -7.215 1.00 . A A . 123 ILE HA 1 1 1 1982 1 1 123 ILE HB H -6.868 -3.766 -5.124 1.00 . A A . 123 ILE HB 1 1 1 1983 1 1 123 ILE HD11 H -9.168 -6.157 -6.823 1.00 . A A . 123 ILE HD11 1 1 1 1984 1 1 123 ILE HD12 H -8.254 -7.597 -6.379 1.00 . A A . 123 ILE HD12 1 1 1 1985 1 1 123 ILE HD13 H -9.117 -6.685 -5.142 1.00 . A A . 123 ILE HD13 1 1 1 1986 1 1 123 ILE HG12 H -6.694 -5.756 -6.716 1.00 . A A . 123 ILE HG12 1 1 1 1987 1 1 123 ILE HG13 H -6.744 -6.153 -4.998 1.00 . A A . 123 ILE HG13 1 1 1 1988 1 1 123 ILE HG21 H -9.734 -4.713 -4.879 1.00 . A A . 123 ILE HG21 1 1 1 1989 1 1 123 ILE HG22 H -8.523 -4.929 -3.614 1.00 . A A . 123 ILE HG22 1 1 1 1990 1 1 123 ILE HG23 H -9.004 -3.305 -4.107 1.00 . A A . 123 ILE HG23 1 1 1 1991 1 1 123 ILE N N -7.099 -3.496 -7.742 1.00 . A A . 123 ILE N 1 1 1 1992 1 1 123 ILE O O -9.993 -2.066 -6.309 1.00 . A A . 123 ILE O 1 1 1 1993 1 1 124 MET C C -9.316 0.677 -6.907 1.00 . A A . 124 MET C 1 1 1 1994 1 1 124 MET CA C -8.450 0.078 -5.796 1.00 . A A . 124 MET CA 1 1 1 1995 1 1 124 MET CB C -7.260 1.001 -5.540 1.00 . A A . 124 MET CB 1 1 1 1996 1 1 124 MET CE C -5.919 2.690 -3.014 1.00 . A A . 124 MET CE 1 1 1 1997 1 1 124 MET CG C -6.395 0.417 -4.422 1.00 . A A . 124 MET CG 1 1 1 1998 1 1 124 MET H H -6.990 -1.446 -6.250 1.00 . A A . 124 MET H 1 1 1 1999 1 1 124 MET HA H -9.031 -0.002 -4.893 1.00 . A A . 124 MET HA 1 1 1 2000 1 1 124 MET HB2 H -6.672 1.090 -6.442 1.00 . A A . 124 MET HB2 1 1 1 2001 1 1 124 MET HB3 H -7.617 1.976 -5.243 1.00 . A A . 124 MET HB3 1 1 1 2002 1 1 124 MET HE1 H -5.275 2.618 -3.878 1.00 . A A . 124 MET HE1 1 1 1 2003 1 1 124 MET HE2 H -6.597 3.518 -3.141 1.00 . A A . 124 MET HE2 1 1 1 2004 1 1 124 MET HE3 H -5.323 2.848 -2.125 1.00 . A A . 124 MET HE3 1 1 1 2005 1 1 124 MET HG2 H -6.543 -0.652 -4.375 1.00 . A A . 124 MET HG2 1 1 1 2006 1 1 124 MET HG3 H -5.358 0.627 -4.626 1.00 . A A . 124 MET HG3 1 1 1 2007 1 1 124 MET N N -7.952 -1.278 -6.183 1.00 . A A . 124 MET N 1 1 1 2008 1 1 124 MET O O -10.414 1.134 -6.676 1.00 . A A . 124 MET O 1 1 1 2009 1 1 124 MET SD S -6.861 1.158 -2.840 1.00 . A A . 124 MET SD 1 1 1 2010 1 1 125 ARG C C -10.843 0.484 -9.547 1.00 . A A . 125 ARG C 1 1 1 2011 1 1 125 ARG CA C -9.578 1.296 -9.240 1.00 . A A . 125 ARG CA 1 1 1 2012 1 1 125 ARG CB C -8.674 1.293 -10.473 1.00 . A A . 125 ARG CB 1 1 1 2013 1 1 125 ARG CD C -8.113 2.426 -12.614 1.00 . A A . 125 ARG CD 1 1 1 2014 1 1 125 ARG CG C -9.012 2.478 -11.378 1.00 . A A . 125 ARG CG 1 1 1 2015 1 1 125 ARG CZ C -7.988 3.593 -14.755 1.00 . A A . 125 ARG CZ 1 1 1 2016 1 1 125 ARG H H -7.920 0.342 -8.257 1.00 . A A . 125 ARG H 1 1 1 2017 1 1 125 ARG HA H -9.850 2.310 -9.000 1.00 . A A . 125 ARG HA 1 1 1 2018 1 1 125 ARG HB2 H -7.642 1.363 -10.160 1.00 . A A . 125 ARG HB2 1 1 1 2019 1 1 125 ARG HB3 H -8.819 0.373 -11.021 1.00 . A A . 125 ARG HB3 1 1 1 2020 1 1 125 ARG HD2 H -7.131 2.798 -12.363 1.00 . A A . 125 ARG HD2 1 1 1 2021 1 1 125 ARG HD3 H -8.031 1.404 -12.953 1.00 . A A . 125 ARG HD3 1 1 1 2022 1 1 125 ARG HE H -9.623 3.578 -13.625 1.00 . A A . 125 ARG HE 1 1 1 2023 1 1 125 ARG HG2 H -10.048 2.417 -11.680 1.00 . A A . 125 ARG HG2 1 1 1 2024 1 1 125 ARG HG3 H -8.842 3.402 -10.847 1.00 . A A . 125 ARG HG3 1 1 1 2025 1 1 125 ARG HH11 H -6.322 2.610 -14.200 1.00 . A A . 125 ARG HH11 1 1 1 2026 1 1 125 ARG HH12 H -6.233 3.443 -15.710 1.00 . A A . 125 ARG HH12 1 1 1 2027 1 1 125 ARG HH21 H -9.469 4.650 -15.587 1.00 . A A . 125 ARG HH21 1 1 1 2028 1 1 125 ARG HH22 H -7.994 4.587 -16.492 1.00 . A A . 125 ARG HH22 1 1 1 2029 1 1 125 ARG N N -8.815 0.700 -8.103 1.00 . A A . 125 ARG N 1 1 1 2030 1 1 125 ARG NE N -8.697 3.267 -13.700 1.00 . A A . 125 ARG NE 1 1 1 2031 1 1 125 ARG NH1 N -6.751 3.182 -14.896 1.00 . A A . 125 ARG NH1 1 1 1 2032 1 1 125 ARG NH2 N -8.525 4.335 -15.683 1.00 . A A . 125 ARG NH2 1 1 1 2033 1 1 125 ARG O O -11.948 0.986 -9.487 1.00 . A A . 125 ARG O 1 1 1 2034 1 1 126 GLU C C -12.961 -1.550 -9.235 1.00 . A A . 126 GLU C 1 1 1 2035 1 1 126 GLU CA C -11.841 -1.611 -10.283 1.00 . A A . 126 GLU CA 1 1 1 2036 1 1 126 GLU CB C -11.367 -3.059 -10.415 1.00 . A A . 126 GLU CB 1 1 1 2037 1 1 126 GLU CD C -11.536 -5.135 -11.795 1.00 . A A . 126 GLU CD 1 1 1 2038 1 1 126 GLU CG C -12.116 -3.738 -11.563 1.00 . A A . 126 GLU CG 1 1 1 2039 1 1 126 GLU H H -9.768 -1.112 -9.983 1.00 . A A . 126 GLU H 1 1 1 2040 1 1 126 GLU HA H -12.232 -1.285 -11.234 1.00 . A A . 126 GLU HA 1 1 1 2041 1 1 126 GLU HB2 H -10.307 -3.073 -10.618 1.00 . A A . 126 GLU HB2 1 1 1 2042 1 1 126 GLU HB3 H -11.567 -3.588 -9.495 1.00 . A A . 126 GLU HB3 1 1 1 2043 1 1 126 GLU HG2 H -13.163 -3.819 -11.311 1.00 . A A . 126 GLU HG2 1 1 1 2044 1 1 126 GLU HG3 H -12.006 -3.151 -12.462 1.00 . A A . 126 GLU HG3 1 1 1 2045 1 1 126 GLU N N -10.675 -0.751 -9.917 1.00 . A A . 126 GLU N 1 1 1 2046 1 1 126 GLU O O -14.125 -1.473 -9.576 1.00 . A A . 126 GLU O 1 1 1 2047 1 1 126 GLU OE1 O -11.476 -5.895 -10.841 1.00 . A A . 126 GLU OE1 1 1 1 2048 1 1 126 GLU OE2 O -11.163 -5.421 -12.920 1.00 . A A . 126 GLU OE2 1 1 1 2049 1 1 127 LYS C C -14.186 -0.204 -6.609 1.00 . A A . 127 LYS C 1 1 1 2050 1 1 127 LYS CA C -13.720 -1.626 -6.942 1.00 . A A . 127 LYS CA 1 1 1 2051 1 1 127 LYS CB C -13.206 -2.304 -5.667 1.00 . A A . 127 LYS CB 1 1 1 2052 1 1 127 LYS CD C -13.278 -4.716 -5.010 1.00 . A A . 127 LYS CD 1 1 1 2053 1 1 127 LYS CE C -14.034 -5.643 -4.056 1.00 . A A . 127 LYS CE 1 1 1 2054 1 1 127 LYS CG C -14.124 -3.473 -5.294 1.00 . A A . 127 LYS CG 1 1 1 2055 1 1 127 LYS H H -11.703 -1.724 -7.709 1.00 . A A . 127 LYS H 1 1 1 2056 1 1 127 LYS HA H -14.562 -2.184 -7.320 1.00 . A A . 127 LYS HA 1 1 1 2057 1 1 127 LYS HB2 H -12.205 -2.671 -5.834 1.00 . A A . 127 LYS HB2 1 1 1 2058 1 1 127 LYS HB3 H -13.196 -1.586 -4.859 1.00 . A A . 127 LYS HB3 1 1 1 2059 1 1 127 LYS HD2 H -13.082 -5.236 -5.937 1.00 . A A . 127 LYS HD2 1 1 1 2060 1 1 127 LYS HD3 H -12.344 -4.421 -4.557 1.00 . A A . 127 LYS HD3 1 1 1 2061 1 1 127 LYS HE2 H -13.343 -6.070 -3.346 1.00 . A A . 127 LYS HE2 1 1 1 2062 1 1 127 LYS HE3 H -14.788 -5.077 -3.528 1.00 . A A . 127 LYS HE3 1 1 1 2063 1 1 127 LYS HG2 H -14.693 -3.216 -4.411 1.00 . A A . 127 LYS HG2 1 1 1 2064 1 1 127 LYS HG3 H -14.801 -3.681 -6.108 1.00 . A A . 127 LYS HG3 1 1 1 2065 1 1 127 LYS HZ1 H -14.740 -6.462 -5.837 1.00 . A A . 127 LYS HZ1 1 1 1 2066 1 1 127 LYS HZ2 H -14.131 -7.607 -4.740 1.00 . A A . 127 LYS HZ2 1 1 1 2067 1 1 127 LYS HZ3 H -15.649 -6.893 -4.471 1.00 . A A . 127 LYS HZ3 1 1 1 2068 1 1 127 LYS N N -12.641 -1.628 -7.974 1.00 . A A . 127 LYS N 1 1 1 2069 1 1 127 LYS NZ N -14.687 -6.734 -4.835 1.00 . A A . 127 LYS NZ 1 1 1 2070 1 1 127 LYS O O -15.284 -0.015 -6.124 1.00 . A A . 127 LYS O 1 1 1 2071 1 1 128 TYR C C -14.563 2.824 -7.686 1.00 . A A . 128 TYR C 1 1 1 2072 1 1 128 TYR CA C -13.853 2.176 -6.500 1.00 . A A . 128 TYR CA 1 1 1 2073 1 1 128 TYR CB C -12.686 3.049 -6.027 1.00 . A A . 128 TYR CB 1 1 1 2074 1 1 128 TYR CD1 C -13.120 2.121 -3.718 1.00 . A A . 128 TYR CD1 1 1 1 2075 1 1 128 TYR CD2 C -10.834 2.553 -4.398 1.00 . A A . 128 TYR CD2 1 1 1 2076 1 1 128 TYR CE1 C -12.669 1.676 -2.483 1.00 . A A . 128 TYR CE1 1 1 1 2077 1 1 128 TYR CE2 C -10.387 2.113 -3.152 1.00 . A A . 128 TYR CE2 1 1 1 2078 1 1 128 TYR CG C -12.202 2.561 -4.684 1.00 . A A . 128 TYR CG 1 1 1 2079 1 1 128 TYR CZ C -11.305 1.674 -2.197 1.00 . A A . 128 TYR CZ 1 1 1 2080 1 1 128 TYR H H -12.499 0.652 -7.227 1.00 . A A . 128 TYR H 1 1 1 2081 1 1 128 TYR HA H -14.571 2.096 -5.708 1.00 . A A . 128 TYR HA 1 1 1 2082 1 1 128 TYR HB2 H -11.876 2.991 -6.738 1.00 . A A . 128 TYR HB2 1 1 1 2083 1 1 128 TYR HB3 H -13.014 4.072 -5.933 1.00 . A A . 128 TYR HB3 1 1 1 2084 1 1 128 TYR HD1 H -14.176 2.127 -3.930 1.00 . A A . 128 TYR HD1 1 1 1 2085 1 1 128 TYR HD2 H -10.124 2.886 -5.139 1.00 . A A . 128 TYR HD2 1 1 1 2086 1 1 128 TYR HE1 H -13.377 1.335 -1.744 1.00 . A A . 128 TYR HE1 1 1 1 2087 1 1 128 TYR HE2 H -9.335 2.107 -2.931 1.00 . A A . 128 TYR HE2 1 1 1 2088 1 1 128 TYR HH H -10.465 2.007 -0.529 1.00 . A A . 128 TYR HH 1 1 1 2089 1 1 128 TYR N N -13.386 0.799 -6.841 1.00 . A A . 128 TYR N 1 1 1 2090 1 1 128 TYR O O -15.164 3.870 -7.550 1.00 . A A . 128 TYR O 1 1 1 2091 1 1 128 TYR OH O -10.868 1.257 -0.970 1.00 . A A . 128 TYR OH 1 1 1 2092 1 1 129 SER C C -16.801 2.710 -9.669 1.00 . A A . 129 SER C 1 1 1 2093 1 1 129 SER CA C -15.297 2.810 -9.972 1.00 . A A . 129 SER CA 1 1 1 2094 1 1 129 SER CB C -14.977 2.053 -11.261 1.00 . A A . 129 SER CB 1 1 1 2095 1 1 129 SER H H -14.104 1.347 -8.941 1.00 . A A . 129 SER H 1 1 1 2096 1 1 129 SER HA H -15.017 3.849 -10.078 1.00 . A A . 129 SER HA 1 1 1 2097 1 1 129 SER HB2 H -14.098 1.448 -11.118 1.00 . A A . 129 SER HB2 1 1 1 2098 1 1 129 SER HB3 H -15.813 1.416 -11.520 1.00 . A A . 129 SER HB3 1 1 1 2099 1 1 129 SER HG H -14.928 2.556 -13.141 1.00 . A A . 129 SER HG 1 1 1 2100 1 1 129 SER N N -14.556 2.209 -8.836 1.00 . A A . 129 SER N 1 1 1 2101 1 1 129 SER O O -17.614 3.357 -10.298 1.00 . A A . 129 SER O 1 1 1 2102 1 1 129 SER OG O -14.736 2.989 -12.304 1.00 . A A . 129 SER OG 1 1 1 2103 1 1 130 LYS C C -18.856 2.155 -6.888 1.00 . A A . 130 LYS C 1 1 1 2104 1 1 130 LYS CA C -18.615 1.754 -8.353 1.00 . A A . 130 LYS CA 1 1 1 2105 1 1 130 LYS CB C -19.025 0.294 -8.543 1.00 . A A . 130 LYS CB 1 1 1 2106 1 1 130 LYS CD C -21.128 -1.039 -8.324 1.00 . A A . 130 LYS CD 1 1 1 2107 1 1 130 LYS CE C -20.465 -2.284 -8.918 1.00 . A A . 130 LYS CE 1 1 1 2108 1 1 130 LYS CG C -20.503 0.219 -8.932 1.00 . A A . 130 LYS CG 1 1 1 2109 1 1 130 LYS H H -16.512 1.382 -8.205 1.00 . A A . 130 LYS H 1 1 1 2110 1 1 130 LYS HA H -19.207 2.380 -9.002 1.00 . A A . 130 LYS HA 1 1 1 2111 1 1 130 LYS HB2 H -18.424 -0.150 -9.324 1.00 . A A . 130 LYS HB2 1 1 1 2112 1 1 130 LYS HB3 H -18.872 -0.245 -7.620 1.00 . A A . 130 LYS HB3 1 1 1 2113 1 1 130 LYS HD2 H -20.982 -1.028 -7.254 1.00 . A A . 130 LYS HD2 1 1 1 2114 1 1 130 LYS HD3 H -22.184 -1.057 -8.544 1.00 . A A . 130 LYS HD3 1 1 1 2115 1 1 130 LYS HE2 H -19.459 -2.045 -9.232 1.00 . A A . 130 LYS HE2 1 1 1 2116 1 1 130 LYS HE3 H -20.432 -3.063 -8.170 1.00 . A A . 130 LYS HE3 1 1 1 2117 1 1 130 LYS HG2 H -21.019 1.093 -8.561 1.00 . A A . 130 LYS HG2 1 1 1 2118 1 1 130 LYS HG3 H -20.592 0.178 -10.008 1.00 . A A . 130 LYS HG3 1 1 1 2119 1 1 130 LYS HZ1 H -21.318 -1.992 -10.795 1.00 . A A . 130 LYS HZ1 1 1 1 2120 1 1 130 LYS HZ2 H -20.781 -3.579 -10.516 1.00 . A A . 130 LYS HZ2 1 1 1 2121 1 1 130 LYS HZ3 H -22.208 -3.022 -9.783 1.00 . A A . 130 LYS HZ3 1 1 1 2122 1 1 130 LYS N N -17.176 1.899 -8.701 1.00 . A A . 130 LYS N 1 1 1 2123 1 1 130 LYS NZ N -21.252 -2.755 -10.091 1.00 . A A . 130 LYS NZ 1 1 1 2124 1 1 130 LYS O O -19.943 1.978 -6.374 1.00 . A A . 130 LYS O 1 1 1 2125 1 1 131 CYS C C -19.292 4.036 -4.736 1.00 . A A . 131 CYS C 1 1 1 2126 1 1 131 CYS CA C -18.084 3.107 -4.788 1.00 . A A . 131 CYS CA 1 1 1 2127 1 1 131 CYS CB C -16.849 3.844 -4.266 1.00 . A A . 131 CYS CB 1 1 1 2128 1 1 131 CYS H H -16.998 2.843 -6.629 1.00 . A A . 131 CYS H 1 1 1 2129 1 1 131 CYS HA H -18.271 2.232 -4.182 1.00 . A A . 131 CYS HA 1 1 1 2130 1 1 131 CYS HB2 H -16.078 3.128 -4.022 1.00 . A A . 131 CYS HB2 1 1 1 2131 1 1 131 CYS HB3 H -16.485 4.520 -5.026 1.00 . A A . 131 CYS HB3 1 1 1 2132 1 1 131 CYS N N -17.868 2.699 -6.208 1.00 . A A . 131 CYS N 1 1 1 2133 1 1 131 CYS O O -20.279 3.761 -4.083 1.00 . A A . 131 CYS O 1 1 1 2134 1 1 131 CYS SG S -17.290 4.784 -2.783 1.00 . A A . 131 CYS SG 1 1 1 2135 1 1 132 SER C C -21.245 5.664 -6.700 1.00 . A A . 132 SER C 1 1 1 2136 1 1 132 SER CA C -20.387 6.049 -5.495 1.00 . A A . 132 SER CA 1 1 1 2137 1 1 132 SER CB C -19.902 7.495 -5.643 1.00 . A A . 132 SER CB 1 1 1 2138 1 1 132 SER H H -18.437 5.298 -6.000 1.00 . A A . 132 SER H 1 1 1 2139 1 1 132 SER HA H -20.967 5.946 -4.589 1.00 . A A . 132 SER HA 1 1 1 2140 1 1 132 SER HB2 H -20.461 7.984 -6.422 1.00 . A A . 132 SER HB2 1 1 1 2141 1 1 132 SER HB3 H -20.057 8.021 -4.709 1.00 . A A . 132 SER HB3 1 1 1 2142 1 1 132 SER HG H -18.010 7.429 -5.174 1.00 . A A . 132 SER HG 1 1 1 2143 1 1 132 SER N N -19.232 5.118 -5.457 1.00 . A A . 132 SER N 1 1 1 2144 1 1 132 SER O O -20.766 5.050 -7.632 1.00 . A A . 132 SER O 1 1 1 2145 1 1 132 SER OG O -18.520 7.507 -5.985 1.00 . A A . 132 SER OG 1 1 1 2146 1 1 133 SER C C -24.086 6.861 -8.381 1.00 . A A . 133 SER C 1 1 1 2147 1 1 133 SER CA C -23.366 5.623 -7.849 1.00 . A A . 133 SER CA 1 1 1 2148 1 1 133 SER CB C -24.392 4.585 -7.396 1.00 . A A . 133 SER CB 1 1 1 2149 1 1 133 SER H H -22.881 6.484 -5.932 1.00 . A A . 133 SER H 1 1 1 2150 1 1 133 SER HA H -22.753 5.201 -8.633 1.00 . A A . 133 SER HA 1 1 1 2151 1 1 133 SER HB2 H -24.763 4.845 -6.420 1.00 . A A . 133 SER HB2 1 1 1 2152 1 1 133 SER HB3 H -25.216 4.564 -8.098 1.00 . A A . 133 SER HB3 1 1 1 2153 1 1 133 SER HG H -22.836 3.421 -7.523 1.00 . A A . 133 SER HG 1 1 1 2154 1 1 133 SER N N -22.502 5.998 -6.694 1.00 . A A . 133 SER N 1 1 1 2155 1 1 133 SER O O -24.707 6.756 -9.427 1.00 . A A . 133 SER O 1 1 1 2156 1 1 133 SER OXT O -24.002 7.894 -7.738 1.00 . A A . 133 SER OXT 1 1 1 2157 1 1 133 SER OG O -23.771 3.307 -7.332 1.00 . A A . 133 SER OG 1 1 stop_ save_
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