NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
412215 | 2b68 | 6849 | cing | 4-filtered-FRED | STAR | entry | full | 372 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2b68 # This FRED archive file contains, for PDB entry <2b68>: # # - 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_2b68 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2b68 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 4616.25 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 $defensin A . 1 1 stop_ save_ save_defensin _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name defensin _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GFGCPGNQLKCNNHCKSISCRAGYCDAATLWLRCTCTDCNGKK _Entity.Number_of_monomers 43 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 GLY . 1 1 2 PHE . 1 1 3 GLY . 1 1 4 CYS . 1 1 5 PRO . 1 1 6 GLY . 1 1 7 ASN . 1 1 8 GLN . 1 1 9 LEU . 1 1 10 LYS . 1 1 11 CYS . 1 1 12 ASN . 1 1 13 ASN . 1 1 14 HIS . 1 1 15 CYS . 1 1 16 LYS . 1 1 17 SER . 1 1 18 ILE . 1 1 19 SER . 1 1 20 CYS . 1 1 21 ARG . 1 1 22 ALA . 1 1 23 GLY . 1 1 24 TYR . 1 1 25 CYS . 1 1 26 ASP . 1 1 27 ALA . 1 1 28 ALA . 1 1 29 THR . 1 1 30 LEU . 1 1 31 TRP . 1 1 32 LEU . 1 1 33 ARG . 1 1 34 CYS . 1 1 35 THR . 1 1 36 CYS . 1 1 37 THR . 1 1 38 ASP . 1 1 39 CYS . 1 1 40 ASN . 1 1 41 GLY . 1 1 42 LYS . 1 1 43 LYS . 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 GLY 1 1 1 1 PHE 2 2 1 1 GLY 3 3 1 1 CYS 4 4 1 1 PRO 5 5 1 1 GLY 6 6 1 1 ASN 7 7 1 1 GLN 8 8 1 1 LEU 9 9 1 1 LYS 10 10 1 1 CYS 11 11 1 1 ASN 12 12 1 1 ASN 13 13 1 1 HIS 14 14 1 1 CYS 15 15 1 1 LYS 16 16 1 1 SER 17 17 1 1 ILE 18 18 1 1 SER 19 19 1 1 CYS 20 20 1 1 ARG 21 21 1 1 ALA 22 22 1 1 GLY 23 23 1 1 TYR 24 24 1 1 CYS 25 25 1 1 ASP 26 26 1 1 ALA 27 27 1 1 ALA 28 28 1 1 THR 29 29 1 1 LEU 30 30 1 1 TRP 31 31 1 1 LEU 32 32 1 1 ARG 33 33 1 1 CYS 34 34 1 1 THR 35 35 1 1 CYS 36 36 1 1 THR 37 37 1 1 ASP 38 38 1 1 CYS 39 39 1 1 ASN 40 40 1 1 GLY 41 41 1 1 LYS 42 42 1 1 LYS 43 43 1 1 stop_ save_ save_DYANA/DIANA_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 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 2 PHE H . 2 PHE HN 1 1 1 1 2 1 1 3 GLY H . 3 GLY HN 1 1 2 1 1 1 1 3 GLY H . 3 GLY HN 1 1 2 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 3 1 1 1 1 6 GLY H . 6 GLY HN 1 1 3 1 2 1 1 7 ASN H . 7 ASN HN 1 1 4 1 1 1 1 8 GLN H . 8 GLN HN 1 1 4 1 2 1 1 9 LEU H . 9 LEU HN 1 1 5 1 1 1 1 8 GLN H . 8 GLN HN 1 1 5 1 2 1 1 10 LYS H . 10 LYS HN 1 1 6 1 1 1 1 9 LEU H . 9 LEU HN 1 1 6 1 2 1 1 10 LYS H . 10 LYS HN 1 1 7 1 1 1 1 10 LYS H . 10 LYS HN 1 1 7 1 2 1 1 11 CYS H . 11 CYSS HN 1 1 8 1 1 1 1 11 CYS H . 11 CYSS HN 1 1 8 1 2 1 1 12 ASN H . 12 ASN HN 1 1 9 1 1 1 1 12 ASN H . 12 ASN HN 1 1 9 1 2 1 1 13 ASN H . 13 ASN HN 1 1 10 1 1 1 1 13 ASN H . 13 ASN HN 1 1 10 1 2 1 1 14 HIS H . 14 HIS HN 1 1 11 1 1 1 1 15 CYS H . 15 CYSS HN 1 1 11 1 2 1 1 16 LYS H . 16 LYS HN 1 1 12 1 1 1 1 15 CYS H . 15 CYSS HN 1 1 12 1 2 1 1 17 SER H . 17 SER HN 1 1 13 1 1 1 1 16 LYS H . 16 LYS HN 1 1 13 1 2 1 1 17 SER H . 17 SER HN 1 1 14 1 1 1 1 17 SER H . 17 SER HN 1 1 14 1 2 1 1 18 ILE H . 18 ILE HN 1 1 15 1 1 1 1 19 SER H . 19 SER HN 1 1 15 1 2 1 1 20 CYS H . 20 CYSS HN 1 1 16 1 1 1 1 21 ARG H . 21 ARG HN 1 1 16 1 2 1 1 22 ALA H . 22 ALA HN 1 1 17 1 1 1 1 22 ALA H . 22 ALA HN 1 1 17 1 2 1 1 23 GLY H . 23 GLY HN 1 1 18 1 1 1 1 24 TYR H . 24 TYR HN 1 1 18 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 19 1 1 1 1 24 TYR H . 24 TYR HN 1 1 19 1 2 1 1 35 THR H . 35 THR HN 1 1 20 1 1 1 1 25 CYS H . 25 CYSS HN 1 1 20 1 2 1 1 26 ASP H . 26 ASP HN 1 1 21 1 1 1 1 27 ALA H . 27 ALA HN 1 1 21 1 2 1 1 28 ALA H . 28 ALA HN 1 1 22 1 1 1 1 28 ALA H . 28 ALA HN 1 1 22 1 2 1 1 29 THR H . 29 THR HN 1 1 23 1 1 1 1 29 THR H . 29 THR HN 1 1 23 1 2 1 1 30 LEU H . 30 LEU HN 1 1 24 1 1 1 1 30 LEU H . 30 LEU HN 1 1 24 1 2 1 1 31 TRP H . 31 TRP HN 1 1 25 1 1 1 1 32 LEU H . 32 LEU HN 1 1 25 1 2 1 1 33 ARG H . 33 ARG HN 1 1 26 1 1 1 1 33 ARG H . 33 ARG HN 1 1 26 1 2 1 1 34 CYS H . 34 CYSS HN 1 1 27 1 1 1 1 34 CYS H . 34 CYSS HN 1 1 27 1 2 1 1 35 THR H . 35 THR HN 1 1 28 1 1 1 1 26 ASP H . 26 ASP HN 1 1 28 1 2 1 1 35 THR H . 35 THR HN 1 1 29 1 1 1 1 36 CYS H . 36 CYSS HN 1 1 29 1 2 1 1 37 THR H . 37 THR HN 1 1 30 1 1 1 1 22 ALA H . 22 ALA HN 1 1 30 1 2 1 1 37 THR H . 37 THR HN 1 1 31 1 1 1 1 21 ARG H . 21 ARG HN 1 1 31 1 2 1 1 37 THR H . 37 THR HN 1 1 32 1 1 1 1 2 PHE H . 2 PHE HN 1 1 32 1 2 1 1 2 PHE HA . 2 PHE HA 1 1 33 1 1 1 1 1 GLY QA . 1 GLY QA 1 1 33 1 2 1 1 2 PHE H . 2 PHE HN 1 1 34 1 1 1 1 2 PHE CG . 2 PHE CG 1 1 34 1 2 1 1 14 HIS QB . 14 HIS QB 1 1 35 1 1 1 1 2 PHE CG . 2 PHE CG 1 1 35 1 2 1 1 34 CYS QB . 34 CYSS QB 1 1 36 1 1 1 1 2 PHE HA . 2 PHE HA 1 1 36 1 2 1 1 3 GLY H . 3 GLY HN 1 1 37 1 1 1 1 1 GLY QA . 1 GLY QA 1 1 37 1 2 1 1 3 GLY H . 3 GLY HN 1 1 38 1 1 1 1 3 GLY H . 3 GLY HN 1 1 38 1 2 1 1 10 LYS QB . 10 LYS QB 1 1 39 1 1 1 1 3 GLY H . 3 GLY HN 1 1 39 1 2 1 1 10 LYS QD . 10 LYS QD 1 1 40 1 1 1 1 3 GLY HA2 . 3 GLY HA1 1 1 40 1 2 1 1 10 LYS QB . 10 LYS QB 1 1 41 1 1 1 1 3 GLY HA3 . 3 GLY HA2 1 1 41 1 2 1 1 10 LYS QB . 10 LYS QB 1 1 42 1 1 1 1 3 GLY QA . 3 GLY QA 1 1 42 1 2 1 1 10 LYS QD . 10 LYS QD 1 1 43 1 1 1 1 4 CYS H . 4 CYSS HN 1 1 43 1 2 1 1 5 PRO HA . 5 PRO HA 1 1 44 1 1 1 1 4 CYS H . 4 CYSS HN 1 1 44 1 2 1 1 4 CYS HA . 4 CYSS HA 1 1 45 1 1 1 1 2 PHE HA . 2 PHE HA 1 1 45 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 46 1 1 1 1 3 GLY QA . 3 GLY QA 1 1 46 1 2 1 1 4 CYS H . 4 CYSS HN 1 1 47 1 1 1 1 4 CYS H . 4 CYSS HN 1 1 47 1 2 1 1 34 CYS QB . 34 CYSS QB 1 1 48 1 1 1 1 4 CYS H . 4 CYSS HN 1 1 48 1 2 1 1 11 CYS QB . 11 CYSS QB 1 1 49 1 1 1 1 4 CYS HA . 4 CYSS HA 1 1 49 1 2 1 1 5 PRO HA . 5 PRO HA 1 1 50 1 1 1 1 4 CYS QB . 4 CYSS QB 1 1 50 1 2 1 1 5 PRO HA . 5 PRO HA 1 1 51 1 1 1 1 5 PRO HA . 5 PRO HA 1 1 51 1 2 1 1 32 LEU HA . 32 LEU HA 1 1 52 1 1 1 1 5 PRO HA . 5 PRO HA 1 1 52 1 2 1 1 31 TRP QB . 31 TRP QB 1 1 53 1 1 1 1 5 PRO QB . 5 PRO QB 1 1 53 1 2 1 1 32 LEU QD . 32 LEU QQD 1 1 54 1 1 1 1 5 PRO QG . 5 PRO QG 1 1 54 1 2 1 1 32 LEU QD . 32 LEU QQD 1 1 55 1 1 1 1 5 PRO HD2 . 5 PRO HD2 1 1 55 1 2 1 1 32 LEU QD . 32 LEU QQD 1 1 56 1 1 1 1 5 PRO HD3 . 5 PRO HD3 1 1 56 1 2 1 1 32 LEU QD . 32 LEU QQD 1 1 57 1 1 1 1 5 PRO HA . 5 PRO HA 1 1 57 1 2 1 1 6 GLY H . 6 GLY HN 1 1 58 1 1 1 1 6 GLY H . 6 GLY HN 1 1 58 1 2 1 1 6 GLY HA2 . 6 GLY HA1 1 1 59 1 1 1 1 6 GLY H . 6 GLY HN 1 1 59 1 2 1 1 6 GLY HA3 . 6 GLY HA2 1 1 60 1 1 1 1 5 PRO QD . 5 PRO QD 1 1 60 1 2 1 1 6 GLY H . 6 GLY HN 1 1 61 1 1 1 1 5 PRO QB . 5 PRO QB 1 1 61 1 2 1 1 6 GLY H . 6 GLY HN 1 1 62 1 1 1 1 5 PRO QG . 5 PRO QG 1 1 62 1 2 1 1 6 GLY H . 6 GLY HN 1 1 63 1 1 1 1 7 ASN H . 7 ASN HN 1 1 63 1 2 1 1 7 ASN HA . 7 ASN HA 1 1 64 1 1 1 1 6 GLY QA . 6 GLY QA 1 1 64 1 2 1 1 7 ASN H . 7 ASN HN 1 1 65 1 1 1 1 7 ASN HA . 7 ASN HA 1 1 65 1 2 1 1 8 GLN QB . 8 GLN QB 1 1 66 1 1 1 1 7 ASN QB . 7 ASN QB 1 1 66 1 2 1 1 10 LYS QB . 10 LYS QB 1 1 67 1 1 1 1 7 ASN HD21 . 7 ASN HD21 1 1 67 1 2 1 1 10 LYS QB . 10 LYS QB 1 1 68 1 1 1 1 7 ASN HD21 . 7 ASN HD21 1 1 68 1 2 1 1 10 LYS QD . 10 LYS QD 1 1 69 1 1 1 1 7 ASN HD22 . 7 ASN HD22 1 1 69 1 2 1 1 10 LYS QB . 10 LYS QB 1 1 70 1 1 1 1 7 ASN HD22 . 7 ASN HD22 1 1 70 1 2 1 1 10 LYS QD . 10 LYS QD 1 1 71 1 1 1 1 7 ASN HA . 7 ASN HA 1 1 71 1 2 1 1 8 GLN H . 8 GLN HN 1 1 72 1 1 1 1 8 GLN HA . 8 GLN HA 1 1 72 1 2 1 1 11 CYS QB . 11 CYSS QB 1 1 73 1 1 1 1 8 GLN HA . 8 GLN HA 1 1 73 1 2 1 1 8 GLN QG . 8 GLN QG 1 1 74 1 1 1 1 8 GLN QB . 8 GLN QB 1 1 74 1 2 1 1 8 GLN HE21 . 8 GLN HE21 1 1 75 1 1 1 1 7 ASN HA . 7 ASN HA 1 1 75 1 2 1 1 9 LEU H . 9 LEU HN 1 1 76 1 1 1 1 9 LEU H . 9 LEU HN 1 1 76 1 2 1 1 9 LEU HA . 9 LEU HA 1 1 77 1 1 1 1 8 GLN HA . 8 GLN HA 1 1 77 1 2 1 1 9 LEU H . 9 LEU HN 1 1 78 1 1 1 1 8 GLN QG . 8 GLN QG 1 1 78 1 2 1 1 9 LEU H . 9 LEU HN 1 1 79 1 1 1 1 8 GLN QB . 8 GLN QB 1 1 79 1 2 1 1 9 LEU H . 9 LEU HN 1 1 80 1 1 1 1 9 LEU H . 9 LEU HN 1 1 80 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 81 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 81 1 2 1 1 12 ASN QB . 12 ASN QB 1 1 82 1 1 1 1 10 LYS H . 10 LYS HN 1 1 82 1 2 1 1 11 CYS HA . 11 CYSS HA 1 1 83 1 1 1 1 3 GLY QA . 3 GLY QA 1 1 83 1 2 1 1 10 LYS H . 10 LYS HN 1 1 84 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 84 1 2 1 1 10 LYS H . 10 LYS HN 1 1 85 1 1 1 1 10 LYS H . 10 LYS HN 1 1 85 1 2 1 1 10 LYS HA . 10 LYS HA 1 1 86 1 1 1 1 7 ASN QB . 7 ASN QB 1 1 86 1 2 1 1 10 LYS H . 10 LYS HN 1 1 87 1 1 1 1 9 LEU QD . 9 LEU QQD 1 1 87 1 2 1 1 10 LYS H . 10 LYS HN 1 1 88 1 1 1 1 10 LYS HA . 10 LYS HA 1 1 88 1 2 1 1 13 ASN QB . 13 ASN QB 1 1 89 1 1 1 1 11 CYS H . 11 CYSS HN 1 1 89 1 2 1 1 11 CYS HA . 11 CYSS HA 1 1 90 1 1 1 1 3 GLY QA . 3 GLY QA 1 1 90 1 2 1 1 11 CYS H . 11 CYSS HN 1 1 91 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 91 1 2 1 1 11 CYS H . 11 CYSS HN 1 1 92 1 1 1 1 10 LYS HA . 10 LYS HA 1 1 92 1 2 1 1 11 CYS H . 11 CYSS HN 1 1 93 1 1 1 1 8 GLN HA . 8 GLN HA 1 1 93 1 2 1 1 11 CYS H . 11 CYSS HN 1 1 94 1 1 1 1 10 LYS QB . 10 LYS QB 1 1 94 1 2 1 1 11 CYS H . 11 CYSS HN 1 1 95 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 95 1 2 1 1 14 HIS QB . 14 HIS QB 1 1 96 1 1 1 1 2 PHE QB . 2 PHE QB 1 1 96 1 2 1 1 11 CYS HA . 11 CYSS HA 1 1 97 1 1 1 1 12 ASN H . 12 ASN HN 1 1 97 1 2 1 1 23 GLY QA . 23 GLY QA 1 1 98 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 98 1 2 1 1 12 ASN H . 12 ASN HN 1 1 99 1 1 1 1 12 ASN H . 12 ASN HN 1 1 99 1 2 1 1 22 ALA HA . 22 ALA HA 1 1 100 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 100 1 2 1 1 12 ASN H . 12 ASN HN 1 1 101 1 1 1 1 12 ASN H . 12 ASN HN 1 1 101 1 2 1 1 12 ASN HA . 12 ASN HA 1 1 102 1 1 1 1 11 CYS QB . 11 CYSS QB 1 1 102 1 2 1 1 12 ASN H . 12 ASN HN 1 1 103 1 1 1 1 9 LEU QB . 9 LEU QB 1 1 103 1 2 1 1 12 ASN H . 12 ASN HN 1 1 104 1 1 1 1 12 ASN HD22 . 12 ASN HD22 1 1 104 1 2 1 1 22 ALA MB . 22 ALA QB 1 1 105 1 1 1 1 13 ASN H . 13 ASN HN 1 1 105 1 2 1 1 13 ASN HA . 13 ASN HA 1 1 106 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 106 1 2 1 1 13 ASN H . 13 ASN HN 1 1 107 1 1 1 1 12 ASN QB . 12 ASN QB 1 1 107 1 2 1 1 13 ASN H . 13 ASN HN 1 1 108 1 1 1 1 9 LEU QB . 9 LEU QB 1 1 108 1 2 1 1 13 ASN H . 13 ASN HN 1 1 109 1 1 1 1 13 ASN HA . 13 ASN HA 1 1 109 1 2 1 1 16 LYS QB . 16 LYS QB 1 1 110 1 1 1 1 13 ASN HA . 13 ASN HA 1 1 110 1 2 1 1 16 LYS QD . 16 LYS QD 1 1 111 1 1 1 1 9 LEU HG . 9 LEU HG 1 1 111 1 2 1 1 13 ASN HD21 . 13 ASN HD21 1 1 112 1 1 1 1 9 LEU QD . 9 LEU QQD 1 1 112 1 2 1 1 13 ASN HD21 . 13 ASN HD21 1 1 113 1 1 1 1 9 LEU HG . 9 LEU HG 1 1 113 1 2 1 1 13 ASN HD22 . 13 ASN HD22 1 1 114 1 1 1 1 9 LEU QD . 9 LEU QQD 1 1 114 1 2 1 1 13 ASN HD22 . 13 ASN HD22 1 1 115 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 115 1 2 1 1 14 HIS H . 14 HIS HN 1 1 116 1 1 1 1 14 HIS H . 14 HIS HN 1 1 116 1 2 1 1 14 HIS HA . 14 HIS HA 1 1 117 1 1 1 1 10 LYS HA . 10 LYS HA 1 1 117 1 2 1 1 14 HIS H . 14 HIS HN 1 1 118 1 1 1 1 13 ASN HA . 13 ASN HA 1 1 118 1 2 1 1 14 HIS H . 14 HIS HN 1 1 119 1 1 1 1 13 ASN QB . 13 ASN QB 1 1 119 1 2 1 1 14 HIS H . 14 HIS HN 1 1 120 1 1 1 1 2 PHE CZ . 2 PHE CZ 1 1 120 1 2 1 1 14 HIS HE1 . 14 HIS HE1 1 1 121 1 1 1 1 14 HIS HE1 . 14 HIS HE1 1 1 121 1 2 1 1 18 ILE MG . 18 ILE QG2 1 1 122 1 1 1 1 14 HIS HD2 . 14 HIS HD2 1 1 122 1 2 1 1 15 CYS H . 15 CYSS HN 1 1 123 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 123 1 2 1 1 14 HIS HD2 . 14 HIS HD2 1 1 124 1 1 1 1 14 HIS HD2 . 14 HIS HD2 1 1 124 1 2 1 1 15 CYS HA . 15 CYSS HA 1 1 125 1 1 1 1 2 PHE QB . 2 PHE QB 1 1 125 1 2 1 1 14 HIS HD2 . 14 HIS HD2 1 1 126 1 1 1 1 14 HIS HD2 . 14 HIS HD2 1 1 126 1 2 1 1 18 ILE QG . 18 ILE QG1 1 1 127 1 1 1 1 14 HIS HD2 . 14 HIS HD2 1 1 127 1 2 1 1 18 ILE MD . 18 ILE QD1 1 1 128 1 1 1 1 14 HIS HA . 14 HIS HA 1 1 128 1 2 1 1 17 SER QB . 17 SER QB 1 1 129 1 1 1 1 14 HIS HA . 14 HIS HA 1 1 129 1 2 1 1 18 ILE MG . 18 ILE QG2 1 1 130 1 1 1 1 11 CYS HA . 11 CYSS HA 1 1 130 1 2 1 1 15 CYS H . 15 CYSS HN 1 1 131 1 1 1 1 14 HIS HA . 14 HIS HA 1 1 131 1 2 1 1 15 CYS H . 15 CYSS HN 1 1 132 1 1 1 1 14 HIS QB . 14 HIS QB 1 1 132 1 2 1 1 15 CYS H . 15 CYSS HN 1 1 133 1 1 1 1 12 ASN HA . 12 ASN HA 1 1 133 1 2 1 1 15 CYS H . 15 CYSS HN 1 1 134 1 1 1 1 15 CYS HA . 15 CYSS HA 1 1 134 1 2 1 1 18 ILE QG . 18 ILE QG1 1 1 135 1 1 1 1 15 CYS HA . 15 CYSS HA 1 1 135 1 2 1 1 18 ILE MG . 18 ILE QG2 1 1 136 1 1 1 1 15 CYS HA . 15 CYSS HA 1 1 136 1 2 1 1 18 ILE MD . 18 ILE QD1 1 1 137 1 1 1 1 16 LYS H . 16 LYS HN 1 1 137 1 2 1 1 16 LYS HA . 16 LYS HA 1 1 138 1 1 1 1 13 ASN HA . 13 ASN HA 1 1 138 1 2 1 1 16 LYS H . 16 LYS HN 1 1 139 1 1 1 1 15 CYS HA . 15 CYSS HA 1 1 139 1 2 1 1 16 LYS H . 16 LYS HN 1 1 140 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 140 1 2 1 1 16 LYS H . 16 LYS HN 1 1 141 1 1 1 1 16 LYS H . 16 LYS HN 1 1 141 1 2 1 1 16 LYS QD . 16 LYS QD 1 1 142 1 1 1 1 16 LYS HA . 16 LYS HA 1 1 142 1 2 1 1 17 SER H . 17 SER HN 1 1 143 1 1 1 1 16 LYS QG . 16 LYS QG 1 1 143 1 2 1 1 17 SER H . 17 SER HN 1 1 144 1 1 1 1 17 SER HA . 17 SER HA 1 1 144 1 2 1 1 18 ILE H . 18 ILE HN 1 1 145 1 1 1 1 17 SER QB . 17 SER QB 1 1 145 1 2 1 1 18 ILE H . 18 ILE HN 1 1 146 1 1 1 1 18 ILE H . 18 ILE HN 1 1 146 1 2 1 1 18 ILE HB . 18 ILE HB 1 1 147 1 1 1 1 18 ILE H . 18 ILE HN 1 1 147 1 2 1 1 18 ILE QG . 18 ILE QG1 1 1 148 1 1 1 1 18 ILE H . 18 ILE HN 1 1 148 1 2 1 1 18 ILE MD . 18 ILE QD1 1 1 149 1 1 1 1 18 ILE H . 18 ILE HN 1 1 149 1 2 1 1 18 ILE MG . 18 ILE QG2 1 1 150 1 1 1 1 18 ILE HA . 18 ILE HA 1 1 150 1 2 1 1 19 SER HA . 19 SER HA 1 1 151 1 1 1 1 18 ILE HA . 18 ILE HA 1 1 151 1 2 1 1 18 ILE HB . 18 ILE HB 1 1 152 1 1 1 1 18 ILE HA . 18 ILE HA 1 1 152 1 2 1 1 19 SER H . 19 SER HN 1 1 153 1 1 1 1 19 SER H . 19 SER HN 1 1 153 1 2 1 1 19 SER HA . 19 SER HA 1 1 154 1 1 1 1 16 LYS HA . 16 LYS HA 1 1 154 1 2 1 1 19 SER H . 19 SER HN 1 1 155 1 1 1 1 18 ILE MG . 18 ILE QG2 1 1 155 1 2 1 1 19 SER H . 19 SER HN 1 1 156 1 1 1 1 18 ILE QG . 18 ILE QG1 1 1 156 1 2 1 1 19 SER H . 19 SER HN 1 1 157 1 1 1 1 18 ILE MD . 18 ILE QD1 1 1 157 1 2 1 1 19 SER H . 19 SER HN 1 1 158 1 1 1 1 20 CYS H . 20 CYSS HN 1 1 158 1 2 1 1 20 CYS HA . 20 CYSS HA 1 1 159 1 1 1 1 16 LYS HA . 16 LYS HA 1 1 159 1 2 1 1 20 CYS H . 20 CYSS HN 1 1 160 1 1 1 1 20 CYS H . 20 CYSS HN 1 1 160 1 2 1 1 39 CYS HA . 39 CYSS HA 1 1 161 1 1 1 1 19 SER HA . 19 SER HA 1 1 161 1 2 1 1 20 CYS H . 20 CYSS HN 1 1 162 1 1 1 1 20 CYS HA . 20 CYSS HA 1 1 162 1 2 1 1 39 CYS HA . 39 CYSS HA 1 1 163 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 163 1 2 1 1 20 CYS HB2 . 20 CYSS HB2 1 1 164 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 164 1 2 1 1 20 CYS HB3 . 20 CYSS HB3 1 1 165 1 1 1 1 20 CYS QB . 20 CYSS QB 1 1 165 1 2 1 1 21 ARG H . 21 ARG HN 1 1 166 1 1 1 1 21 ARG H . 21 ARG HN 1 1 166 1 2 1 1 38 ASP QB . 38 ASP QB 1 1 167 1 1 1 1 22 ALA H . 22 ALA HN 1 1 167 1 2 1 1 23 GLY QA . 23 GLY QA 1 1 168 1 1 1 1 22 ALA H . 22 ALA HN 1 1 168 1 2 1 1 22 ALA HA . 22 ALA HA 1 1 169 1 1 1 1 21 ARG HA . 21 ARG HA 1 1 169 1 2 1 1 22 ALA H . 22 ALA HN 1 1 170 1 1 1 1 20 CYS QB . 20 CYSS QB 1 1 170 1 2 1 1 22 ALA H . 22 ALA HN 1 1 171 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 171 1 2 1 1 22 ALA H . 22 ALA HN 1 1 172 1 1 1 1 21 ARG QB . 21 ARG QB 1 1 172 1 2 1 1 22 ALA H . 22 ALA HN 1 1 173 1 1 1 1 23 GLY H . 23 GLY HN 1 1 173 1 2 1 1 36 CYS HA . 36 CYSS HA 1 1 174 1 1 1 1 22 ALA HA . 22 ALA HA 1 1 174 1 2 1 1 23 GLY H . 23 GLY HN 1 1 175 1 1 1 1 12 ASN QB . 12 ASN QB 1 1 175 1 2 1 1 23 GLY H . 23 GLY HN 1 1 176 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 176 1 2 1 1 23 GLY H . 23 GLY HN 1 1 177 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 177 1 2 1 1 23 GLY H . 23 GLY HN 1 1 178 1 1 1 1 23 GLY QA . 23 GLY QA 1 1 178 1 2 1 1 36 CYS QB . 36 CYSS QB 1 1 179 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 179 1 2 1 1 23 GLY QA . 23 GLY QA 1 1 180 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 180 1 2 1 1 23 GLY QA . 23 GLY QA 1 1 181 1 1 1 1 23 GLY QA . 23 GLY QA 1 1 181 1 2 1 1 37 THR MG . 37 THR QG2 1 1 182 1 1 1 1 23 GLY QA . 23 GLY QA 1 1 182 1 2 1 1 24 TYR H . 24 TYR HN 1 1 183 1 1 1 1 23 GLY QA . 23 GLY QA 1 1 183 1 2 1 1 24 TYR CG . 24 TYR CG 1 1 184 1 1 1 1 24 TYR CG . 24 TYR CG 1 1 184 1 2 1 1 26 ASP HA . 26 ASP HA 1 1 185 1 1 1 1 24 TYR CG . 24 TYR CG 1 1 185 1 2 1 1 37 THR CG2 . 37 THR CG2 1 1 186 1 1 1 1 24 TYR CG . 24 TYR CG 1 1 186 1 2 1 1 35 THR CG2 . 35 THR CG2 1 1 187 1 1 1 1 24 TYR CZ . 24 TYR CZ 1 1 187 1 2 1 1 26 ASP HA . 26 ASP HA 1 1 188 1 1 1 1 24 TYR CZ . 24 TYR CZ 1 1 188 1 2 1 1 37 THR HB . 37 THR HB 1 1 189 1 1 1 1 24 TYR CZ . 24 TYR CZ 1 1 189 1 2 1 1 35 THR HB . 35 THR HB 1 1 190 1 1 1 1 24 TYR CZ . 24 TYR CZ 1 1 190 1 2 1 1 37 THR CG2 . 37 THR CG2 1 1 191 1 1 1 1 24 TYR CZ . 24 TYR CZ 1 1 191 1 2 1 1 35 THR CG2 . 35 THR CG2 1 1 192 1 1 1 1 24 TYR CG . 24 TYR CG 1 1 192 1 2 1 1 27 ALA H . 27 ALA HN 1 1 193 1 1 1 1 24 TYR CG . 24 TYR CG 1 1 193 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 194 1 1 1 1 24 TYR CG . 24 TYR CG 1 1 194 1 2 1 1 24 TYR H . 24 TYR HN 1 1 195 1 1 1 1 24 TYR CZ . 24 TYR CZ 1 1 195 1 2 1 1 27 ALA H . 27 ALA HN 1 1 196 1 1 1 1 24 TYR CZ . 24 TYR CZ 1 1 196 1 2 1 1 24 TYR H . 24 TYR HN 1 1 197 1 1 1 1 25 CYS H . 25 CYSS HN 1 1 197 1 2 1 1 25 CYS HA . 25 CYSS HA 1 1 198 1 1 1 1 24 TYR HA . 24 TYR HA 1 1 198 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 199 1 1 1 1 24 TYR QB . 24 TYR QB 1 1 199 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 200 1 1 1 1 8 GLN QB . 8 GLN QB 1 1 200 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 201 1 1 1 1 8 GLN HG2 . 8 GLN HG2 1 1 201 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 202 1 1 1 1 8 GLN HG3 . 8 GLN HG3 1 1 202 1 2 1 1 25 CYS H . 25 CYSS HN 1 1 203 1 1 1 1 25 CYS HA . 25 CYSS HA 1 1 203 1 2 1 1 34 CYS HA . 34 CYSS HA 1 1 204 1 1 1 1 4 CYS QB . 4 CYSS QB 1 1 204 1 2 1 1 25 CYS HA . 25 CYSS HA 1 1 205 1 1 1 1 25 CYS HA . 25 CYSS HA 1 1 205 1 2 1 1 34 CYS QB . 34 CYSS QB 1 1 206 1 1 1 1 25 CYS HA . 25 CYSS HA 1 1 206 1 2 1 1 26 ASP H . 26 ASP HN 1 1 207 1 1 1 1 26 ASP H . 26 ASP HN 1 1 207 1 2 1 1 26 ASP HA . 26 ASP HA 1 1 208 1 1 1 1 25 CYS QB . 25 CYSS QB 1 1 208 1 2 1 1 26 ASP H . 26 ASP HN 1 1 209 1 1 1 1 26 ASP H . 26 ASP HN 1 1 209 1 2 1 1 35 THR MG . 35 THR QG2 1 1 210 1 1 1 1 26 ASP HB2 . 26 ASP HB2 1 1 210 1 2 1 1 29 THR MG . 29 THR QG2 1 1 211 1 1 1 1 26 ASP HB3 . 26 ASP HB3 1 1 211 1 2 1 1 29 THR MG . 29 THR QG2 1 1 212 1 1 1 1 26 ASP HB2 . 26 ASP HB2 1 1 212 1 2 1 1 33 ARG QB . 33 ARG QB 1 1 213 1 1 1 1 26 ASP HB3 . 26 ASP HB3 1 1 213 1 2 1 1 33 ARG QB . 33 ARG QB 1 1 214 1 1 1 1 26 ASP HA . 26 ASP HA 1 1 214 1 2 1 1 27 ALA H . 27 ALA HN 1 1 215 1 1 1 1 27 ALA H . 27 ALA HN 1 1 215 1 2 1 1 27 ALA HA . 27 ALA HA 1 1 216 1 1 1 1 27 ALA H . 27 ALA HN 1 1 216 1 2 1 1 27 ALA MB . 27 ALA QB 1 1 217 1 1 1 1 28 ALA H . 28 ALA HN 1 1 217 1 2 1 1 28 ALA HA . 28 ALA HA 1 1 218 1 1 1 1 27 ALA HA . 27 ALA HA 1 1 218 1 2 1 1 28 ALA H . 28 ALA HN 1 1 219 1 1 1 1 28 ALA H . 28 ALA HN 1 1 219 1 2 1 1 28 ALA MB . 28 ALA QB 1 1 220 1 1 1 1 27 ALA MB . 27 ALA QB 1 1 220 1 2 1 1 28 ALA H . 28 ALA HN 1 1 221 1 1 1 1 29 THR H . 29 THR HN 1 1 221 1 2 1 1 29 THR HA . 29 THR HA 1 1 222 1 1 1 1 28 ALA HA . 28 ALA HA 1 1 222 1 2 1 1 29 THR H . 29 THR HN 1 1 223 1 1 1 1 29 THR H . 29 THR HN 1 1 223 1 2 1 1 30 LEU HA . 30 LEU HA 1 1 224 1 1 1 1 26 ASP QB . 26 ASP QB 1 1 224 1 2 1 1 29 THR H . 29 THR HN 1 1 225 1 1 1 1 28 ALA MB . 28 ALA QB 1 1 225 1 2 1 1 29 THR H . 29 THR HN 1 1 226 1 1 1 1 29 THR H . 29 THR HN 1 1 226 1 2 1 1 29 THR MG . 29 THR QG2 1 1 227 1 1 1 1 29 THR HA . 29 THR HA 1 1 227 1 2 1 1 30 LEU H . 30 LEU HN 1 1 228 1 1 1 1 30 LEU H . 30 LEU HN 1 1 228 1 2 1 1 30 LEU HA . 30 LEU HA 1 1 229 1 1 1 1 30 LEU H . 30 LEU HN 1 1 229 1 2 1 1 30 LEU HB2 . 30 LEU HB2 1 1 230 1 1 1 1 30 LEU H . 30 LEU HN 1 1 230 1 2 1 1 30 LEU HB3 . 30 LEU HB3 1 1 231 1 1 1 1 30 LEU H . 30 LEU HN 1 1 231 1 2 1 1 30 LEU HG . 30 LEU HG 1 1 232 1 1 1 1 29 THR MG . 29 THR QG2 1 1 232 1 2 1 1 30 LEU H . 30 LEU HN 1 1 233 1 1 1 1 30 LEU H . 30 LEU HN 1 1 233 1 2 1 1 30 LEU MD2 . 30 LEU QD2 1 1 234 1 1 1 1 30 LEU HA . 30 LEU HA 1 1 234 1 2 1 1 30 LEU HG . 30 LEU HG 1 1 235 1 1 1 1 30 LEU HA . 30 LEU HA 1 1 235 1 2 1 1 31 TRP H . 31 TRP HN 1 1 236 1 1 1 1 30 LEU QB . 30 LEU QB 1 1 236 1 2 1 1 31 TRP H . 31 TRP HN 1 1 237 1 1 1 1 30 LEU QD . 30 LEU QQD 1 1 237 1 2 1 1 31 TRP H . 31 TRP HN 1 1 238 1 1 1 1 5 PRO QB . 5 PRO QB 1 1 238 1 2 1 1 31 TRP QB . 31 TRP QB 1 1 239 1 1 1 1 29 THR MG . 29 THR QG2 1 1 239 1 2 1 1 31 TRP HA . 31 TRP HA 1 1 240 1 1 1 1 25 CYS QB . 25 CYSS QB 1 1 240 1 2 1 1 31 TRP HE1 . 31 TRP HE1 1 1 241 1 1 1 1 27 ALA HA . 27 ALA HA 1 1 241 1 2 1 1 31 TRP HE1 . 31 TRP HE1 1 1 242 1 1 1 1 27 ALA MB . 27 ALA QB 1 1 242 1 2 1 1 31 TRP HE1 . 31 TRP HE1 1 1 243 1 1 1 1 27 ALA HA . 27 ALA HA 1 1 243 1 2 1 1 31 TRP HZ2 . 31 TRP HZ2 1 1 244 1 1 1 1 27 ALA MB . 27 ALA QB 1 1 244 1 2 1 1 31 TRP HZ2 . 31 TRP HZ2 1 1 245 1 1 1 1 30 LEU H . 30 LEU HN 1 1 245 1 2 1 1 31 TRP HE3 . 31 TRP HE3 1 1 246 1 1 1 1 30 LEU HA . 30 LEU HA 1 1 246 1 2 1 1 31 TRP HE3 . 31 TRP HE3 1 1 247 1 1 1 1 25 CYS QB . 25 CYSS QB 1 1 247 1 2 1 1 31 TRP HE3 . 31 TRP HE3 1 1 248 1 1 1 1 30 LEU QB . 30 LEU QB 1 1 248 1 2 1 1 31 TRP HE3 . 31 TRP HE3 1 1 249 1 1 1 1 30 LEU QD . 30 LEU QQD 1 1 249 1 2 1 1 31 TRP HE3 . 31 TRP HE3 1 1 250 1 1 1 1 27 ALA HA . 27 ALA HA 1 1 250 1 2 1 1 31 TRP HH2 . 31 TRP HH2 1 1 251 1 1 1 1 27 ALA MB . 27 ALA QB 1 1 251 1 2 1 1 31 TRP HH2 . 31 TRP HH2 1 1 252 1 1 1 1 30 LEU QD . 30 LEU QQD 1 1 252 1 2 1 1 31 TRP HZ3 . 31 TRP HZ3 1 1 253 1 1 1 1 27 ALA H . 27 ALA HN 1 1 253 1 2 1 1 31 TRP HD1 . 31 TRP HD1 1 1 254 1 1 1 1 25 CYS H . 25 CYSS HN 1 1 254 1 2 1 1 31 TRP HD1 . 31 TRP HD1 1 1 255 1 1 1 1 31 TRP HA . 31 TRP HA 1 1 255 1 2 1 1 31 TRP HD1 . 31 TRP HD1 1 1 256 1 1 1 1 25 CYS QB . 25 CYSS QB 1 1 256 1 2 1 1 31 TRP HD1 . 31 TRP HD1 1 1 257 1 1 1 1 27 ALA HA . 27 ALA HA 1 1 257 1 2 1 1 31 TRP HD1 . 31 TRP HD1 1 1 258 1 1 1 1 27 ALA MB . 27 ALA QB 1 1 258 1 2 1 1 31 TRP HD1 . 31 TRP HD1 1 1 259 1 1 1 1 29 THR HB . 29 THR HB 1 1 259 1 2 1 1 32 LEU H . 32 LEU HN 1 1 260 1 1 1 1 32 LEU H . 32 LEU HN 1 1 260 1 2 1 1 32 LEU HA . 32 LEU HA 1 1 261 1 1 1 1 31 TRP HA . 31 TRP HA 1 1 261 1 2 1 1 32 LEU H . 32 LEU HN 1 1 262 1 1 1 1 32 LEU H . 32 LEU HN 1 1 262 1 2 1 1 32 LEU HG . 32 LEU HG 1 1 263 1 1 1 1 5 PRO QG . 5 PRO QG 1 1 263 1 2 1 1 32 LEU HA . 32 LEU HA 1 1 264 1 1 1 1 5 PRO QD . 5 PRO QD 1 1 264 1 2 1 1 32 LEU HA . 32 LEU HA 1 1 265 1 1 1 1 32 LEU HA . 32 LEU HA 1 1 265 1 2 1 1 32 LEU HG . 32 LEU HG 1 1 266 1 1 1 1 29 THR MG . 29 THR QG2 1 1 266 1 2 1 1 32 LEU HB2 . 32 LEU HB2 1 1 267 1 1 1 1 29 THR MG . 29 THR QG2 1 1 267 1 2 1 1 32 LEU HB3 . 32 LEU HB3 1 1 268 1 1 1 1 29 THR MG . 29 THR QG2 1 1 268 1 2 1 1 32 LEU HG . 32 LEU HG 1 1 269 1 1 1 1 29 THR HB . 29 THR HB 1 1 269 1 2 1 1 33 ARG H . 33 ARG HN 1 1 270 1 1 1 1 32 LEU HA . 32 LEU HA 1 1 270 1 2 1 1 33 ARG H . 33 ARG HN 1 1 271 1 1 1 1 26 ASP QB . 26 ASP QB 1 1 271 1 2 1 1 33 ARG H . 33 ARG HN 1 1 272 1 1 1 1 33 ARG H . 33 ARG HN 1 1 272 1 2 1 1 33 ARG QD . 33 ARG QD 1 1 273 1 1 1 1 33 ARG H . 33 ARG HN 1 1 273 1 2 1 1 33 ARG QG . 33 ARG QG 1 1 274 1 1 1 1 32 LEU QB . 32 LEU QB 1 1 274 1 2 1 1 33 ARG H . 33 ARG HN 1 1 275 1 1 1 1 34 CYS H . 34 CYSS HN 1 1 275 1 2 1 1 34 CYS HA . 34 CYSS HA 1 1 276 1 1 1 1 33 ARG HA . 33 ARG HA 1 1 276 1 2 1 1 34 CYS H . 34 CYSS HN 1 1 277 1 1 1 1 33 ARG QG . 33 ARG QG 1 1 277 1 2 1 1 34 CYS H . 34 CYSS HN 1 1 278 1 1 1 1 33 ARG QD . 33 ARG QD 1 1 278 1 2 1 1 34 CYS H . 34 CYSS HN 1 1 279 1 1 1 1 34 CYS HA . 34 CYSS HA 1 1 279 1 2 1 1 35 THR HA . 35 THR HA 1 1 280 1 1 1 1 34 CYS HA . 34 CYSS HA 1 1 280 1 2 1 1 35 THR MG . 35 THR QG2 1 1 281 1 1 1 1 25 CYS HA . 25 CYSS HA 1 1 281 1 2 1 1 35 THR H . 35 THR HN 1 1 282 1 1 1 1 34 CYS HA . 34 CYSS HA 1 1 282 1 2 1 1 35 THR H . 35 THR HN 1 1 283 1 1 1 1 35 THR H . 35 THR HN 1 1 283 1 2 1 1 35 THR HA . 35 THR HA 1 1 284 1 1 1 1 35 THR H . 35 THR HN 1 1 284 1 2 1 1 35 THR HB . 35 THR HB 1 1 285 1 1 1 1 34 CYS QB . 34 CYSS QB 1 1 285 1 2 1 1 35 THR H . 35 THR HN 1 1 286 1 1 1 1 35 THR H . 35 THR HN 1 1 286 1 2 1 1 35 THR MG . 35 THR QG2 1 1 287 1 1 1 1 35 THR HA . 35 THR HA 1 1 287 1 2 1 1 35 THR MG . 35 THR QG2 1 1 288 1 1 1 1 36 CYS H . 36 CYSS HN 1 1 288 1 2 1 1 36 CYS HA . 36 CYSS HA 1 1 289 1 1 1 1 35 THR HA . 35 THR HA 1 1 289 1 2 1 1 36 CYS H . 36 CYSS HN 1 1 290 1 1 1 1 35 THR MG . 35 THR QG2 1 1 290 1 2 1 1 36 CYS H . 36 CYSS HN 1 1 291 1 1 1 1 23 GLY HA2 . 23 GLY HA1 1 1 291 1 2 1 1 36 CYS HA . 36 CYSS HA 1 1 292 1 1 1 1 36 CYS HA . 36 CYSS HA 1 1 292 1 2 1 1 37 THR HA . 37 THR HA 1 1 293 1 1 1 1 23 GLY HA3 . 23 GLY HA2 1 1 293 1 2 1 1 36 CYS HA . 36 CYSS HA 1 1 294 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 294 1 2 1 1 36 CYS HA . 36 CYSS HA 1 1 295 1 1 1 1 36 CYS HA . 36 CYSS HA 1 1 295 1 2 1 1 37 THR MG . 37 THR QG2 1 1 296 1 1 1 1 35 THR MG . 35 THR QG2 1 1 296 1 2 1 1 36 CYS HA . 36 CYSS HA 1 1 297 1 1 1 1 36 CYS HA . 36 CYSS HA 1 1 297 1 2 1 1 37 THR H . 37 THR HN 1 1 298 1 1 1 1 23 GLY QA . 23 GLY QA 1 1 298 1 2 1 1 37 THR H . 37 THR HN 1 1 299 1 1 1 1 37 THR H . 37 THR HN 1 1 299 1 2 1 1 37 THR HA . 37 THR HA 1 1 300 1 1 1 1 37 THR H . 37 THR HN 1 1 300 1 2 1 1 37 THR HB . 37 THR HB 1 1 301 1 1 1 1 36 CYS QB . 36 CYSS QB 1 1 301 1 2 1 1 37 THR H . 37 THR HN 1 1 302 1 1 1 1 15 CYS QB . 15 CYSS QB 1 1 302 1 2 1 1 37 THR H . 37 THR HN 1 1 303 1 1 1 1 22 ALA MB . 22 ALA QB 1 1 303 1 2 1 1 37 THR H . 37 THR HN 1 1 304 1 1 1 1 37 THR H . 37 THR HN 1 1 304 1 2 1 1 37 THR MG . 37 THR QG2 1 1 305 1 1 1 1 37 THR HA . 37 THR HA 1 1 305 1 2 1 1 38 ASP H . 38 ASP HN 1 1 306 1 1 1 1 37 THR HB . 37 THR HB 1 1 306 1 2 1 1 38 ASP H . 38 ASP HN 1 1 307 1 1 1 1 37 THR MG . 37 THR QG2 1 1 307 1 2 1 1 38 ASP H . 38 ASP HN 1 1 308 1 1 1 1 21 ARG QG . 21 ARG QG 1 1 308 1 2 1 1 38 ASP HA . 38 ASP HA 1 1 309 1 1 1 1 21 ARG QB . 21 ARG QB 1 1 309 1 2 1 1 38 ASP HB2 . 38 ASP HB2 1 1 310 1 1 1 1 21 ARG QB . 21 ARG QB 1 1 310 1 2 1 1 38 ASP HB3 . 38 ASP HB3 1 1 311 1 1 1 1 38 ASP HA . 38 ASP HA 1 1 311 1 2 1 1 39 CYS H . 39 CYSS HN 1 1 312 1 1 1 1 38 ASP QB . 38 ASP QB 1 1 312 1 2 1 1 39 CYS H . 39 CYSS HN 1 1 313 1 1 1 1 39 CYS HA . 39 CYSS HA 1 1 313 1 2 1 1 40 ASN H . 40 ASN HN 1 1 314 1 1 1 1 20 CYS HA . 20 CYSS HA 1 1 314 1 2 1 1 40 ASN H . 40 ASN HN 1 1 315 1 1 1 1 39 CYS QB . 39 CYSS QB 1 1 315 1 2 1 1 40 ASN H . 40 ASN HN 1 1 316 1 1 1 1 40 ASN HA . 40 ASN HA 1 1 316 1 2 1 1 41 GLY H . 41 GLY HN 1 1 317 1 1 1 1 39 CYS QB . 39 CYSS QB 1 1 317 1 2 1 1 41 GLY H . 41 GLY HN 1 1 318 1 1 1 1 41 GLY QA . 41 GLY QA 1 1 318 1 2 1 1 42 LYS H . 42 LYS HN 1 1 319 1 1 1 1 42 LYS HA . 42 LYS HA 1 1 319 1 2 1 1 43 LYS H . 43 LYS 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 . . . . . . . 2.8 1 1 2 1 . . . . . . . 2.5 1 1 3 1 . . . . . . . 2.5 1 1 4 1 . . . . . . . 2.5 1 1 5 1 . . . . . . . 5.0 1 1 6 1 . . . . . . . 2.5 1 1 7 1 . . . . . . . 2.8 1 1 8 1 . . . . . . . 2.8 1 1 9 1 . . . . . . . 2.8 1 1 10 1 . . . . . . . 2.8 1 1 11 1 . . . . . . . 2.8 1 1 12 1 . . . . . . . 5.0 1 1 13 1 . . . . . . . 2.8 1 1 14 1 . . . . . . . 2.5 1 1 15 1 . . . . . . . 3.0 1 1 16 1 . . . . . . . 3.0 1 1 17 1 . . . . . . . 5.0 1 1 18 1 . . . . . . . 5.0 1 1 19 1 . . . . . . . 3.0 1 1 20 1 . . . . . . . 5.0 1 1 21 1 . . . . . . . 3.0 1 1 22 1 . . . . . . . 2.5 1 1 23 1 . . . . . . . 2.5 1 1 24 1 . . . . . . . 2.8 1 1 25 1 . . . . . . . 2.5 1 1 26 1 . . . . . . . 5.0 1 1 27 1 . . . . . . . 3.5 1 1 28 1 . . . . . . . 5.0 1 1 29 1 . . . . . . . 4.5 1 1 30 1 . . . . . . . 3.5 1 1 31 1 . . . . . . . 5.0 1 1 32 1 . . . . . . . 2.8 1 1 33 1 . . . . . . . 3.0 1 1 34 1 . . . . . . . 6.0 1 1 35 1 . . . . . . . 6.0 1 1 36 1 . . . . . . . 3.5 1 1 37 1 . . . . . . . 5.0 1 1 38 1 . . . . . . . 6.0 1 1 39 1 . . . . . . . 5.0 1 1 40 1 . . . . . . . 4.0 1 1 41 1 . . . . . . . 4.0 1 1 42 1 . . . . . . . 6.0 1 1 43 1 . . . . . . . 5.0 1 1 44 1 . . . . . . . 3.0 1 1 45 1 . . . . . . . 5.0 1 1 46 1 . . . . . . . 5.0 1 1 47 1 . . . . . . . 5.0 1 1 48 1 . . . . . . . 6.0 1 1 49 1 . . . . . . . 3.0 1 1 50 1 . . . . . . . 6.0 1 1 51 1 . . . . . . . 5.0 1 1 52 1 . . . . . . . 4.0 1 1 53 1 . . . . . . . 6.0 1 1 54 1 . . . . . . . 7.0 1 1 55 1 . . . . . . . 5.0 1 1 56 1 . . . . . . . 5.0 1 1 57 1 . . . . . . . 3.0 1 1 58 1 . . . . . . . 3.0 1 1 59 1 . . . . . . . 3.0 1 1 60 1 . . . . . . . 6.0 1 1 61 1 . . . . . . . 4.0 1 1 62 1 . . . . . . . 5.0 1 1 63 1 . . . . . . . 3.0 1 1 64 1 . . . . . . . 4.0 1 1 65 1 . . . . . . . 6.0 1 1 66 1 . . . . . . . 5.0 1 1 67 1 . . . . . . . 5.0 1 1 68 1 . . . . . . . 6.0 1 1 69 1 . . . . . . . 4.0 1 1 70 1 . . . . . . . 5.0 1 1 71 1 . . . . . . . 2.5 1 1 72 1 . . . . . . . 4.0 1 1 73 1 . . . . . . . 4.0 1 1 74 1 . . . . . . . 4.0 1 1 75 1 . . . . . . . 3.5 1 1 76 1 . . . . . . . 3.0 1 1 77 1 . . . . . . . 3.5 1 1 78 1 . . . . . . . 6.0 1 1 79 1 . . . . . . . 4.0 1 1 80 1 . . . . . . . 3.0 1 1 81 1 . . . . . . . 4.0 1 1 82 1 . . . . . . . 5.0 1 1 83 1 . . . . . . . 6.0 1 1 84 1 . . . . . . . 3.5 1 1 85 1 . . . . . . . 3.0 1 1 86 1 . . . . . . . 6.0 1 1 87 1 . . . . . . . 7.0 1 1 88 1 . . . . . . . 4.0 1 1 89 1 . . . . . . . 3.0 1 1 90 1 . . . . . . . 6.0 1 1 91 1 . . . . . . . 5.0 1 1 92 1 . . . . . . . 3.5 1 1 93 1 . . . . . . . 4.0 1 1 94 1 . . . . . . . 4.0 1 1 95 1 . . . . . . . 4.0 1 1 96 1 . . . . . . . 4.0 1 1 97 1 . . . . . . . 6.0 1 1 98 1 . . . . . . . 3.5 1 1 99 1 . . . . . . . 5.0 1 1 100 1 . . . . . . . 3.0 1 1 101 1 . . . . . . . 3.0 1 1 102 1 . . . . . . . 4.0 1 1 103 1 . . . . . . . 6.0 1 1 104 1 . . . . . . . 6.0 1 1 105 1 . . . . . . . 3.0 1 1 106 1 . . . . . . . 4.0 1 1 107 1 . . . . . . . 4.0 1 1 108 1 . . . . . . . 6.0 1 1 109 1 . . . . . . . 4.0 1 1 110 1 . . . . . . . 5.0 1 1 111 1 . . . . . . . 5.0 1 1 112 1 . . . . . . . 7.0 1 1 113 1 . . . . . . . 3.0 1 1 114 1 . . . . . . . 6.0 1 1 115 1 . . . . . . . 3.5 1 1 116 1 . . . . . . . 3.0 1 1 117 1 . . . . . . . 4.0 1 1 118 1 . . . . . . . 3.5 1 1 119 1 . . . . . . . 4.0 1 1 120 1 . . . . . . . 5.0 1 1 121 1 . . . . . . . 5.0 1 1 122 1 . . . . . . . 4.0 1 1 123 1 . . . . . . . 5.0 1 1 124 1 . . . . . . . 5.0 1 1 125 1 . . . . . . . 5.0 1 1 126 1 . . . . . . . 6.0 1 1 127 1 . . . . . . . 6.0 1 1 128 1 . . . . . . . 4.0 1 1 129 1 . . . . . . . 6.0 1 1 130 1 . . . . . . . 4.0 1 1 131 1 . . . . . . . 3.5 1 1 132 1 . . . . . . . 4.0 1 1 133 1 . . . . . . . 4.0 1 1 134 1 . . . . . . . 4.0 1 1 135 1 . . . . . . . 4.0 1 1 136 1 . . . . . . . 4.0 1 1 137 1 . . . . . . . 3.0 1 1 138 1 . . . . . . . 3.5 1 1 139 1 . . . . . . . 3.5 1 1 140 1 . . . . . . . 4.0 1 1 141 1 . . . . . . . 4.0 1 1 142 1 . . . . . . . 3.5 1 1 143 1 . . . . . . . 4.0 1 1 144 1 . . . . . . . 3.5 1 1 145 1 . . . . . . . 4.0 1 1 146 1 . . . . . . . 4.0 1 1 147 1 . . . . . . . 4.0 1 1 148 1 . . . . . . . 4.0 1 1 149 1 . . . . . . . 4.0 1 1 150 1 . . . . . . . 5.0 1 1 151 1 . . . . . . . 3.0 1 1 152 1 . . . . . . . 3.5 1 1 153 1 . . . . . . . 2.5 1 1 154 1 . . . . . . . 5.0 1 1 155 1 . . . . . . . 6.0 1 1 156 1 . . . . . . . 5.0 1 1 157 1 . . . . . . . 6.0 1 1 158 1 . . . . . . . 3.0 1 1 159 1 . . . . . . . 4.0 1 1 160 1 . . . . . . . 5.0 1 1 161 1 . . . . . . . 3.0 1 1 162 1 . . . . . . . 3.0 1 1 163 1 . . . . . . . 4.0 1 1 164 1 . . . . . . . 4.0 1 1 165 1 . . . . . . . 4.0 1 1 166 1 . . . . . . . 5.0 1 1 167 1 . . . . . . . 6.0 1 1 168 1 . . . . . . . 3.0 1 1 169 1 . . . . . . . 3.5 1 1 170 1 . . . . . . . 4.0 1 1 171 1 . . . . . . . 6.0 1 1 172 1 . . . . . . . 4.0 1 1 173 1 . . . . . . . 4.0 1 1 174 1 . . . . . . . 2.5 1 1 175 1 . . . . . . . 4.0 1 1 176 1 . . . . . . . 4.0 1 1 177 1 . . . . . . . 4.0 1 1 178 1 . . . . . . . 5.0 1 1 179 1 . . . . . . . 5.0 1 1 180 1 . . . . . . . 6.0 1 1 181 1 . . . . . . . 5.0 1 1 182 1 . . . . . . . 3.0 1 1 183 1 . . . . . . . 6.0 1 1 184 1 . . . . . . . 5.0 1 1 185 1 . . . . . . . 5.0 1 1 186 1 . . . . . . . 6.0 1 1 187 1 . . . . . . . 5.0 1 1 188 1 . . . . . . . 6.0 1 1 189 1 . . . . . . . 6.0 1 1 190 1 . . . . . . . 4.0 1 1 191 1 . . . . . . . 5.0 1 1 192 1 . . . . . . . 5.0 1 1 193 1 . . . . . . . 5.0 1 1 194 1 . . . . . . . 4.0 1 1 195 1 . . . . . . . 5.0 1 1 196 1 . . . . . . . 6.0 1 1 197 1 . . . . . . . 3.0 1 1 198 1 . . . . . . . 3.5 1 1 199 1 . . . . . . . 4.0 1 1 200 1 . . . . . . . 5.0 1 1 201 1 . . . . . . . 4.0 1 1 202 1 . . . . . . . 4.0 1 1 203 1 . . . . . . . 3.0 1 1 204 1 . . . . . . . 6.0 1 1 205 1 . . . . . . . 6.0 1 1 206 1 . . . . . . . 2.5 1 1 207 1 . . . . . . . 3.0 1 1 208 1 . . . . . . . 5.0 1 1 209 1 . . . . . . . 6.0 1 1 210 1 . . . . . . . 4.0 1 1 211 1 . . . . . . . 4.0 1 1 212 1 . . . . . . . 4.0 1 1 213 1 . . . . . . . 4.0 1 1 214 1 . . . . . . . 2.5 1 1 215 1 . . . . . . . 3.0 1 1 216 1 . . . . . . . 3.5 1 1 217 1 . . . . . . . 3.0 1 1 218 1 . . . . . . . 3.5 1 1 219 1 . . . . . . . 3.5 1 1 220 1 . . . . . . . 4.0 1 1 221 1 . . . . . . . 3.0 1 1 222 1 . . . . . . . 3.5 1 1 223 1 . . . . . . . 4.5 1 1 224 1 . . . . . . . 6.0 1 1 225 1 . . . . . . . 4.0 1 1 226 1 . . . . . . . 4.0 1 1 227 1 . . . . . . . 3.0 1 1 228 1 . . . . . . . 3.0 1 1 229 1 . . . . . . . 4.0 1 1 230 1 . . . . . . . 4.0 1 1 231 1 . . . . . . . 4.0 1 1 232 1 . . . . . . . 6.0 1 1 233 1 . . . . . . . 4.0 1 1 234 1 . . . . . . . 4.0 1 1 235 1 . . . . . . . 3.0 1 1 236 1 . . . . . . . 5.0 1 1 237 1 . . . . . . . 6.0 1 1 238 1 . . . . . . . 5.0 1 1 239 1 . . . . . . . 4.0 1 1 240 1 . . . . . . . 6.0 1 1 241 1 . . . . . . . 4.0 1 1 242 1 . . . . . . . 4.0 1 1 243 1 . . . . . . . 5.0 1 1 244 1 . . . . . . . 4.0 1 1 245 1 . . . . . . . 5.0 1 1 246 1 . . . . . . . 4.0 1 1 247 1 . . . . . . . 6.0 1 1 248 1 . . . . . . . 6.0 1 1 249 1 . . . . . . . 7.0 1 1 250 1 . . . . . . . 4.0 1 1 251 1 . . . . . . . 5.0 1 1 252 1 . . . . . . . 6.0 1 1 253 1 . . . . . . . 5.0 1 1 254 1 . . . . . . . 5.0 1 1 255 1 . . . . . . . 4.0 1 1 256 1 . . . . . . . 4.0 1 1 257 1 . . . . . . . 5.0 1 1 258 1 . . . . . . . 5.0 1 1 259 1 . . . . . . . 5.0 1 1 260 1 . . . . . . . 3.0 1 1 261 1 . . . . . . . 4.0 1 1 262 1 . . . . . . . 4.0 1 1 263 1 . . . . . . . 6.0 1 1 264 1 . . . . . . . 4.0 1 1 265 1 . . . . . . . 4.0 1 1 266 1 . . . . . . . 4.0 1 1 267 1 . . . . . . . 4.0 1 1 268 1 . . . . . . . 4.0 1 1 269 1 . . . . . . . 4.5 1 1 270 1 . . . . . . . 3.5 1 1 271 1 . . . . . . . 6.0 1 1 272 1 . . . . . . . 6.0 1 1 273 1 . . . . . . . 5.0 1 1 274 1 . . . . . . . 4.0 1 1 275 1 . . . . . . . 3.0 1 1 276 1 . . . . . . . 2.5 1 1 277 1 . . . . . . . 4.0 1 1 278 1 . . . . . . . 6.0 1 1 279 1 . . . . . . . 5.0 1 1 280 1 . . . . . . . 6.0 1 1 281 1 . . . . . . . 4.0 1 1 282 1 . . . . . . . 2.5 1 1 283 1 . . . . . . . 3.0 1 1 284 1 . . . . . . . 2.5 1 1 285 1 . . . . . . . 6.0 1 1 286 1 . . . . . . . 4.0 1 1 287 1 . . . . . . . 3.6 1 1 288 1 . . . . . . . 3.0 1 1 289 1 . . . . . . . 2.5 1 1 290 1 . . . . . . . 5.0 1 1 291 1 . . . . . . . 3.0 1 1 292 1 . . . . . . . 5.0 1 1 293 1 . . . . . . . 3.0 1 1 294 1 . . . . . . . 4.0 1 1 295 1 . . . . . . . 5.0 1 1 296 1 . . . . . . . 6.0 1 1 297 1 . . . . . . . 2.5 1 1 298 1 . . . . . . . 4.0 1 1 299 1 . . . . . . . 3.0 1 1 300 1 . . . . . . . 3.5 1 1 301 1 . . . . . . . 4.0 1 1 302 1 . . . . . . . 6.0 1 1 303 1 . . . . . . . 6.0 1 1 304 1 . . . . . . . 4.0 1 1 305 1 . . . . . . . 2.5 1 1 306 1 . . . . . . . 3.5 1 1 307 1 . . . . . . . 5.0 1 1 308 1 . . . . . . . 5.0 1 1 309 1 . . . . . . . 4.0 1 1 310 1 . . . . . . . 4.0 1 1 311 1 . . . . . . . 2.5 1 1 312 1 . . . . . . . 4.0 1 1 313 1 . . . . . . . 3.0 1 1 314 1 . . . . . . . 3.0 1 1 315 1 . . . . . . . 4.0 1 1 316 1 . . . . . . . 2.5 1 1 317 1 . . . . . . . 4.0 1 1 318 1 . . . . . . . 4.0 1 1 319 1 . . . . . . . 2.5 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "disulfide 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 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 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 4 CYS SG . 4 CYSS SG 1 2 1 1 2 1 1 25 CYS SG . 25 CYSS SG 1 2 2 1 1 1 1 4 CYS CB . 4 CYSS CB 1 2 2 1 2 1 1 25 CYS SG . 25 CYSS SG 1 2 3 1 1 1 1 4 CYS SG . 4 CYSS SG 1 2 3 1 2 1 1 25 CYS CB . 25 CYSS CB 1 2 4 1 1 1 1 4 CYS CB . 4 CYSS CB 1 2 4 1 2 1 1 25 CYS CB . 25 CYSS CB 1 2 5 1 1 1 1 11 CYS SG . 11 CYSS SG 1 2 5 1 2 1 1 34 CYS SG . 34 CYSS SG 1 2 6 1 1 1 1 11 CYS CB . 11 CYSS CB 1 2 6 1 2 1 1 34 CYS SG . 34 CYSS SG 1 2 7 1 1 1 1 11 CYS SG . 11 CYSS SG 1 2 7 1 2 1 1 34 CYS CB . 34 CYSS CB 1 2 8 1 1 1 1 11 CYS CB . 11 CYSS CB 1 2 8 1 2 1 1 34 CYS CB . 34 CYSS CB 1 2 9 1 1 1 1 15 CYS SG . 15 CYSS SG 1 2 9 1 2 1 1 36 CYS SG . 36 CYSS SG 1 2 10 1 1 1 1 15 CYS CB . 15 CYSS CB 1 2 10 1 2 1 1 36 CYS SG . 36 CYSS SG 1 2 11 1 1 1 1 15 CYS SG . 15 CYSS SG 1 2 11 1 2 1 1 36 CYS CB . 36 CYSS CB 1 2 12 1 1 1 1 15 CYS CB . 15 CYSS CB 1 2 12 1 2 1 1 36 CYS CB . 36 CYSS CB 1 2 13 1 1 1 1 20 CYS SG . 20 CYSS SG 1 2 13 1 2 1 1 39 CYS SG . 39 CYSS SG 1 2 14 1 1 1 1 20 CYS CB . 20 CYSS CB 1 2 14 1 2 1 1 39 CYS SG . 39 CYSS SG 1 2 15 1 1 1 1 20 CYS SG . 20 CYSS SG 1 2 15 1 2 1 1 39 CYS CB . 39 CYSS CB 1 2 16 1 1 1 1 20 CYS CB . 20 CYSS CB 1 2 16 1 2 1 1 39 CYS CB . 39 CYSS CB 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 . . . . . . . 1.8 1 2 2 1 . . . . . . . 3.0 1 2 3 1 . . . . . . . 3.0 1 2 4 1 . . . . . . . 3.75 1 2 5 1 . . . . . . . 1.8 1 2 6 1 . . . . . . . 3.0 1 2 7 1 . . . . . . . 3.0 1 2 8 1 . . . . . . . 3.75 1 2 9 1 . . . . . . . 1.8 1 2 10 1 . . . . . . . 3.0 1 2 11 1 . . . . . . . 3.0 1 2 12 1 . . . . . . . 3.75 1 2 13 1 . . . . . . . 1.8 1 2 14 1 . . . . . . . 3.0 1 2 15 1 . . . . . . . 3.0 1 2 16 1 . . . . . . . 3.75 1 2 stop_ save_ save_DYANA/DIANA_distance_constraints_3_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 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 LEU O . 9 LEU O 1 3 1 1 2 1 1 13 ASN H . 13 ASN HN 1 3 2 1 1 1 1 9 LEU O . 9 LEU O 1 3 2 1 2 1 1 13 ASN N . 13 ASN N 1 3 3 1 1 1 1 10 LYS O . 10 LYS O 1 3 3 1 2 1 1 14 HIS H . 14 HIS HN 1 3 4 1 1 1 1 10 LYS O . 10 LYS O 1 3 4 1 2 1 1 14 HIS N . 14 HIS N 1 3 5 1 1 1 1 11 CYS O . 11 CYSS O 1 3 5 1 2 1 1 15 CYS H . 15 CYSS HN 1 3 6 1 1 1 1 11 CYS O . 11 CYSS O 1 3 6 1 2 1 1 15 CYS N . 15 CYSS N 1 3 7 1 1 1 1 12 ASN O . 12 ASN O 1 3 7 1 2 1 1 16 LYS H . 16 LYS HN 1 3 8 1 1 1 1 12 ASN O . 12 ASN O 1 3 8 1 2 1 1 16 LYS N . 16 LYS N 1 3 9 1 1 1 1 13 ASN O . 13 ASN O 1 3 9 1 2 1 1 17 SER H . 17 SER HN 1 3 10 1 1 1 1 13 ASN O . 13 ASN O 1 3 10 1 2 1 1 17 SER N . 17 SER N 1 3 11 1 1 1 1 14 HIS O . 14 HIS O 1 3 11 1 2 1 1 18 ILE H . 18 ILE HN 1 3 12 1 1 1 1 14 HIS O . 14 HIS O 1 3 12 1 2 1 1 18 ILE N . 18 ILE N 1 3 13 1 1 1 1 15 CYS O . 15 CYSS O 1 3 13 1 2 1 1 19 SER H . 19 SER HN 1 3 14 1 1 1 1 15 CYS O . 15 CYSS O 1 3 14 1 2 1 1 19 SER N . 19 SER N 1 3 15 1 1 1 1 15 CYS O . 15 CYSS O 1 3 15 1 2 1 1 20 CYS H . 20 CYSS HN 1 3 16 1 1 1 1 15 CYS O . 15 CYSS O 1 3 16 1 2 1 1 20 CYS N . 20 CYSS N 1 3 17 1 1 1 1 22 ALA O . 22 ALA O 1 3 17 1 2 1 1 37 THR H . 37 THR HN 1 3 18 1 1 1 1 22 ALA O . 22 ALA O 1 3 18 1 2 1 1 37 THR N . 37 THR N 1 3 19 1 1 1 1 22 ALA H . 22 ALA HN 1 3 19 1 2 1 1 37 THR O . 37 THR O 1 3 20 1 1 1 1 22 ALA N . 22 ALA N 1 3 20 1 2 1 1 37 THR O . 37 THR O 1 3 21 1 1 1 1 24 TYR O . 24 TYR O 1 3 21 1 2 1 1 35 THR H . 35 THR HN 1 3 22 1 1 1 1 24 TYR O . 24 TYR O 1 3 22 1 2 1 1 35 THR N . 35 THR N 1 3 23 1 1 1 1 24 TYR H . 24 TYR HN 1 3 23 1 2 1 1 35 THR O . 35 THR O 1 3 24 1 1 1 1 24 TYR N . 24 TYR N 1 3 24 1 2 1 1 35 THR O . 35 THR O 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 . . . . . . . 1.9 1 3 2 1 . . . . . . . 2.9 1 3 3 1 . . . . . . . 1.9 1 3 4 1 . . . . . . . 2.9 1 3 5 1 . . . . . . . 1.9 1 3 6 1 . . . . . . . 2.9 1 3 7 1 . . . . . . . 1.9 1 3 8 1 . . . . . . . 2.9 1 3 9 1 . . . . . . . 1.9 1 3 10 1 . . . . . . . 2.9 1 3 11 1 . . . . . . . 1.9 1 3 12 1 . . . . . . . 2.9 1 3 13 1 . . . . . . . 1.9 1 3 14 1 . . . . . . . 2.9 1 3 15 1 . . . . . . . 1.9 1 3 16 1 . . . . . . . 3.0 1 3 17 1 . . . . . . . 1.9 1 3 18 1 . . . . . . . 2.9 1 3 19 1 . . . . . . . 1.9 1 3 20 1 . . . . . . . 2.9 1 3 21 1 . . . . . . . 1.9 1 3 22 1 . . . . . . . 2.9 1 3 23 1 . . . . . . . 1.9 1 3 24 1 . . . . . . . 2.9 1 3 stop_ save_ save_DYANA/DIANA_dihedral_5 _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 PHI 1 1 7 ASN C 1 1 8 GLN N 1 1 8 GLN CA 1 1 8 GLN C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 2 PHI 1 1 8 GLN C 1 1 9 LEU N 1 1 9 LEU CA 1 1 9 LEU C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 3 PHI 1 1 9 LEU C 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 4 PHI 1 1 10 LYS C 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 5 PHI 1 1 11 CYS C 1 1 12 ASN N 1 1 12 ASN CA 1 1 12 ASN C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 6 PHI 1 1 12 ASN C 1 1 13 ASN N 1 1 13 ASN CA 1 1 13 ASN C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 7 PHI 1 1 13 ASN C 1 1 14 HIS N 1 1 14 HIS CA 1 1 14 HIS C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 8 PHI 1 1 14 HIS C 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 9 PHI 1 1 15 CYS C 1 1 16 LYS N 1 1 16 LYS CA 1 1 16 LYS C -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1 10 CHI1 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS CB 1 1 11 CYS SG -70.0 -50.0 . . . . . . . . . . . . . . . . 1 1 11 CHI1 1 1 39 CYS N 1 1 39 CYS CA 1 1 39 CYS CB 1 1 39 CYS SG -70.0 -50.0 . . . . . . . . . . . . . . . . 1 1 12 CHI1 1 1 15 CYS N 1 1 15 CYS CA 1 1 15 CYS CB 1 1 15 CYS SG -70.0 -50.0 . . . . . . . . . . . . . . . . 1 1 13 CHI1 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS CB 1 1 25 CYS SG -70.0 -50.0 . . . . . . . . . . . . . . . . 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 GLY C C 3.578 -0.085 -0.981 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 2.073 0.000 -1.245 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 1.884 0.000 0.829 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY HA2 H 1.761 -0.843 -1.862 1.00 . A A . 1 GLY HA2 1 1 1 5 1 1 1 GLY HA3 H 1.850 0.906 -1.808 1.00 . A A . 1 GLY HA3 1 1 1 6 1 1 1 GLY N N 1.325 0.000 0.000 1.00 . A A . 1 GLY N 1 1 1 7 1 1 1 GLY O O 4.053 -1.049 -0.383 1.00 . A A . 1 GLY O 1 1 1 8 1 1 2 PHE C C 6.268 2.384 -1.585 1.00 . A A . 2 PHE C 1 1 1 9 1 1 2 PHE CA C 5.726 0.990 -1.260 1.00 . A A . 2 PHE CA 1 1 1 10 1 1 2 PHE CB C 6.336 -0.020 -2.234 1.00 . A A . 2 PHE CB 1 1 1 11 1 1 2 PHE CD1 C 7.923 -1.368 -0.843 1.00 . A A . 2 PHE CD1 1 1 1 12 1 1 2 PHE CD2 C 6.027 -2.453 -1.725 1.00 . A A . 2 PHE CD2 1 1 1 13 1 1 2 PHE CE1 C 8.334 -2.583 -0.232 1.00 . A A . 2 PHE CE1 1 1 1 14 1 1 2 PHE CE2 C 6.438 -3.667 -1.114 1.00 . A A . 2 PHE CE2 1 1 1 15 1 1 2 PHE CG C 6.779 -1.329 -1.576 1.00 . A A . 2 PHE CG 1 1 1 16 1 1 2 PHE CZ C 7.583 -3.707 -0.381 1.00 . A A . 2 PHE CZ 1 1 1 17 1 1 2 PHE H H 3.891 1.717 -1.925 1.00 . A A . 2 PHE H 1 1 1 18 1 1 2 PHE HA H 5.931 0.757 -0.215 1.00 . A A . 2 PHE HA 1 1 1 19 1 1 2 PHE HB2 H 5.607 -0.245 -3.012 1.00 . A A . 2 PHE HB2 1 1 1 20 1 1 2 PHE HB3 H 7.195 0.436 -2.725 1.00 . A A . 2 PHE HB3 1 1 1 21 1 1 2 PHE HD1 H 8.525 -0.468 -0.724 1.00 . A A . 2 PHE HD1 1 1 1 22 1 1 2 PHE HD2 H 5.110 -2.421 -2.312 1.00 . A A . 2 PHE HD2 1 1 1 23 1 1 2 PHE HE1 H 9.252 -2.614 0.355 1.00 . A A . 2 PHE HE1 1 1 1 24 1 1 2 PHE HE2 H 5.836 -4.568 -1.233 1.00 . A A . 2 PHE HE2 1 1 1 25 1 1 2 PHE HZ H 7.898 -4.639 0.088 1.00 . A A . 2 PHE HZ 1 1 1 26 1 1 2 PHE N N 4.286 0.937 -1.440 1.00 . A A . 2 PHE N 1 1 1 27 1 1 2 PHE O O 7.375 2.518 -2.105 1.00 . A A . 2 PHE O 1 1 1 28 1 1 3 GLY C C 4.628 5.687 -1.493 1.00 . A A . 3 GLY C 1 1 1 29 1 1 3 GLY CA C 5.849 4.765 -1.514 1.00 . A A . 3 GLY CA 1 1 1 30 1 1 3 GLY H H 4.566 3.269 -0.840 1.00 . A A . 3 GLY H 1 1 1 31 1 1 3 GLY HA2 H 6.567 5.088 -0.760 1.00 . A A . 3 GLY HA2 1 1 1 32 1 1 3 GLY HA3 H 6.347 4.837 -2.481 1.00 . A A . 3 GLY HA3 1 1 1 33 1 1 3 GLY N N 5.464 3.386 -1.263 1.00 . A A . 3 GLY N 1 1 1 34 1 1 3 GLY O O 4.646 6.730 -0.841 1.00 . A A . 3 GLY O 1 1 1 35 1 1 4 CYS C C 1.743 6.080 -0.892 1.00 . A A . 4 CYS C 1 1 1 36 1 1 4 CYS CA C 2.372 6.045 -2.286 1.00 . A A . 4 CYS CA 1 1 1 37 1 1 4 CYS CB C 1.408 5.484 -3.333 1.00 . A A . 4 CYS CB 1 1 1 38 1 1 4 CYS H H 3.592 4.420 -2.741 1.00 . A A . 4 CYS H 1 1 1 39 1 1 4 CYS HA H 2.654 7.048 -2.609 1.00 . A A . 4 CYS HA 1 1 1 40 1 1 4 CYS HB2 H 1.649 4.434 -3.502 1.00 . A A . 4 CYS HB2 1 1 1 41 1 1 4 CYS HB3 H 0.396 5.518 -2.930 1.00 . A A . 4 CYS HB3 1 1 1 42 1 1 4 CYS N N 3.598 5.270 -2.214 1.00 . A A . 4 CYS N 1 1 1 43 1 1 4 CYS O O 2.083 5.269 -0.033 1.00 . A A . 4 CYS O 1 1 1 44 1 1 4 CYS SG S 1.428 6.357 -4.941 1.00 . A A . 4 CYS SG 1 1 1 45 1 1 5 PRO C C 1.569 9.018 -1.978 1.00 . A A . 5 PRO C 1 1 1 46 1 1 5 PRO CA C 0.468 7.975 -1.775 1.00 . A A . 5 PRO CA 1 1 1 47 1 1 5 PRO CB C -0.860 8.586 -1.357 1.00 . A A . 5 PRO CB 1 1 1 48 1 1 5 PRO CD C 0.066 7.304 0.524 1.00 . A A . 5 PRO CD 1 1 1 49 1 1 5 PRO CG C -0.980 8.338 0.138 1.00 . A A . 5 PRO CG 1 1 1 50 1 1 5 PRO HA H 0.392 7.485 -2.644 1.00 . A A . 5 PRO HA 1 1 1 51 1 1 5 PRO HB2 H -0.886 9.653 -1.579 1.00 . A A . 5 PRO HB2 1 1 1 52 1 1 5 PRO HB3 H -1.688 8.128 -1.896 1.00 . A A . 5 PRO HB3 1 1 1 53 1 1 5 PRO HD2 H 0.718 7.677 1.314 1.00 . A A . 5 PRO HD2 1 1 1 54 1 1 5 PRO HD3 H -0.399 6.392 0.898 1.00 . A A . 5 PRO HD3 1 1 1 55 1 1 5 PRO HG2 H -0.824 9.264 0.693 1.00 . A A . 5 PRO HG2 1 1 1 56 1 1 5 PRO HG3 H -1.979 7.981 0.387 1.00 . A A . 5 PRO HG3 1 1 1 57 1 1 5 PRO N N 0.812 7.055 -0.705 1.00 . A A . 5 PRO N 1 1 1 58 1 1 5 PRO O O 2.397 9.231 -1.093 1.00 . A A . 5 PRO O 1 1 1 59 1 1 6 GLY C C 3.901 10.027 -3.725 1.00 . A A . 6 GLY C 1 1 1 60 1 1 6 GLY CA C 2.529 10.656 -3.476 1.00 . A A . 6 GLY CA 1 1 1 61 1 1 6 GLY H H 0.866 9.461 -3.861 1.00 . A A . 6 GLY H 1 1 1 62 1 1 6 GLY HA2 H 2.209 11.203 -4.363 1.00 . A A . 6 GLY HA2 1 1 1 63 1 1 6 GLY HA3 H 2.597 11.378 -2.663 1.00 . A A . 6 GLY HA3 1 1 1 64 1 1 6 GLY N N 1.543 9.640 -3.147 1.00 . A A . 6 GLY N 1 1 1 65 1 1 6 GLY O O 4.907 10.491 -3.190 1.00 . A A . 6 GLY O 1 1 1 66 1 1 7 ASN C C 4.834 7.179 -5.880 1.00 . A A . 7 ASN C 1 1 1 67 1 1 7 ASN CA C 5.131 8.283 -4.863 1.00 . A A . 7 ASN CA 1 1 1 68 1 1 7 ASN CB C 5.740 7.629 -3.621 1.00 . A A . 7 ASN CB 1 1 1 69 1 1 7 ASN CG C 6.988 8.385 -3.159 1.00 . A A . 7 ASN CG 1 1 1 70 1 1 7 ASN H H 3.076 8.608 -4.968 1.00 . A A . 7 ASN H 1 1 1 71 1 1 7 ASN HA H 5.797 9.049 -5.261 1.00 . A A . 7 ASN HA 1 1 1 72 1 1 7 ASN HB2 H 5.003 7.612 -2.817 1.00 . A A . 7 ASN HB2 1 1 1 73 1 1 7 ASN HB3 H 5.998 6.593 -3.840 1.00 . A A . 7 ASN HB3 1 1 1 74 1 1 7 ASN HD21 H 7.342 6.896 -1.834 1.00 . A A . 7 ASN HD21 1 1 1 75 1 1 7 ASN HD22 H 8.496 8.187 -1.823 1.00 . A A . 7 ASN HD22 1 1 1 76 1 1 7 ASN N N 3.899 8.980 -4.537 1.00 . A A . 7 ASN N 1 1 1 77 1 1 7 ASN ND2 N 7.664 7.772 -2.192 1.00 . A A . 7 ASN ND2 1 1 1 78 1 1 7 ASN O O 4.789 6.001 -5.528 1.00 . A A . 7 ASN O 1 1 1 79 1 1 7 ASN OD1 O 7.314 9.453 -3.649 1.00 . A A . 7 ASN OD1 1 1 1 80 1 1 8 GLN C C 5.644 6.197 -8.859 1.00 . A A . 8 GLN C 1 1 1 81 1 1 8 GLN CA C 4.347 6.661 -8.192 1.00 . A A . 8 GLN CA 1 1 1 82 1 1 8 GLN CB C 3.394 7.278 -9.217 1.00 . A A . 8 GLN CB 1 1 1 83 1 1 8 GLN CD C 0.912 7.094 -9.625 1.00 . A A . 8 GLN CD 1 1 1 84 1 1 8 GLN CG C 2.234 6.330 -9.527 1.00 . A A . 8 GLN CG 1 1 1 85 1 1 8 GLN H H 4.677 8.559 -7.399 1.00 . A A . 8 GLN H 1 1 1 86 1 1 8 GLN HA H 3.856 5.816 -7.710 1.00 . A A . 8 GLN HA 1 1 1 87 1 1 8 GLN HB2 H 3.004 8.222 -8.835 1.00 . A A . 8 GLN HB2 1 1 1 88 1 1 8 GLN HB3 H 3.937 7.506 -10.134 1.00 . A A . 8 GLN HB3 1 1 1 89 1 1 8 GLN HE21 H 0.645 6.302 -11.469 1.00 . A A . 8 GLN HE21 1 1 1 90 1 1 8 GLN HE22 H -0.615 7.360 -10.927 1.00 . A A . 8 GLN HE22 1 1 1 91 1 1 8 GLN HG2 H 2.427 5.808 -10.465 1.00 . A A . 8 GLN HG2 1 1 1 92 1 1 8 GLN HG3 H 2.162 5.570 -8.749 1.00 . A A . 8 GLN HG3 1 1 1 93 1 1 8 GLN N N 4.639 7.599 -7.121 1.00 . A A . 8 GLN N 1 1 1 94 1 1 8 GLN NE2 N 0.260 6.903 -10.768 1.00 . A A . 8 GLN NE2 1 1 1 95 1 1 8 GLN O O 5.684 5.132 -9.473 1.00 . A A . 8 GLN O 1 1 1 96 1 1 8 GLN OE1 O 0.510 7.809 -8.722 1.00 . A A . 8 GLN OE1 1 1 1 97 1 1 9 LEU C C 8.691 5.698 -8.405 1.00 . A A . 9 LEU C 1 1 1 98 1 1 9 LEU CA C 7.967 6.708 -9.297 1.00 . A A . 9 LEU CA 1 1 1 99 1 1 9 LEU CB C 8.765 7.989 -9.549 1.00 . A A . 9 LEU CB 1 1 1 100 1 1 9 LEU CD1 C 10.988 8.837 -8.714 1.00 . A A . 9 LEU CD1 1 1 1 101 1 1 9 LEU CD2 C 8.828 9.783 -7.779 1.00 . A A . 9 LEU CD2 1 1 1 102 1 1 9 LEU CG C 9.530 8.549 -8.349 1.00 . A A . 9 LEU CG 1 1 1 103 1 1 9 LEU H H 6.632 7.885 -8.216 1.00 . A A . 9 LEU H 1 1 1 104 1 1 9 LEU HA H 7.787 6.244 -10.267 1.00 . A A . 9 LEU HA 1 1 1 105 1 1 9 LEU HB2 H 9.477 7.798 -10.352 1.00 . A A . 9 LEU HB2 1 1 1 106 1 1 9 LEU HB3 H 8.078 8.756 -9.908 1.00 . A A . 9 LEU HB3 1 1 1 107 1 1 9 LEU HD11 H 11.608 8.757 -7.821 1.00 . A A . 9 LEU HD11 1 1 1 108 1 1 9 LEU HD12 H 11.326 8.115 -9.457 1.00 . A A . 9 LEU HD12 1 1 1 109 1 1 9 LEU HD13 H 11.068 9.844 -9.123 1.00 . A A . 9 LEU HD13 1 1 1 110 1 1 9 LEU HD21 H 9.347 10.683 -8.110 1.00 . A A . 9 LEU HD21 1 1 1 111 1 1 9 LEU HD22 H 7.796 9.809 -8.130 1.00 . A A . 9 LEU HD22 1 1 1 112 1 1 9 LEU HD23 H 8.840 9.738 -6.690 1.00 . A A . 9 LEU HD23 1 1 1 113 1 1 9 LEU HG H 9.538 7.792 -7.565 1.00 . A A . 9 LEU HG 1 1 1 114 1 1 9 LEU N N 6.673 7.020 -8.716 1.00 . A A . 9 LEU N 1 1 1 115 1 1 9 LEU O O 9.566 4.969 -8.870 1.00 . A A . 9 LEU O 1 1 1 116 1 1 10 LYS C C 8.415 3.356 -6.453 1.00 . A A . 10 LYS C 1 1 1 117 1 1 10 LYS CA C 8.901 4.779 -6.177 1.00 . A A . 10 LYS CA 1 1 1 118 1 1 10 LYS CB C 8.631 5.256 -4.749 1.00 . A A . 10 LYS CB 1 1 1 119 1 1 10 LYS CD C 9.725 4.818 -2.519 1.00 . A A . 10 LYS CD 1 1 1 120 1 1 10 LYS CE C 11.065 4.500 -1.854 1.00 . A A . 10 LYS CE 1 1 1 121 1 1 10 LYS CG C 9.929 5.339 -3.943 1.00 . A A . 10 LYS CG 1 1 1 122 1 1 10 LYS H H 7.588 6.284 -6.769 1.00 . A A . 10 LYS H 1 1 1 123 1 1 10 LYS HA H 9.980 4.811 -6.328 1.00 . A A . 10 LYS HA 1 1 1 124 1 1 10 LYS HB2 H 8.150 6.234 -4.772 1.00 . A A . 10 LYS HB2 1 1 1 125 1 1 10 LYS HB3 H 7.937 4.572 -4.259 1.00 . A A . 10 LYS HB3 1 1 1 126 1 1 10 LYS HD2 H 9.189 5.561 -1.929 1.00 . A A . 10 LYS HD2 1 1 1 127 1 1 10 LYS HD3 H 9.104 3.922 -2.541 1.00 . A A . 10 LYS HD3 1 1 1 128 1 1 10 LYS HE2 H 11.278 3.435 -1.940 1.00 . A A . 10 LYS HE2 1 1 1 129 1 1 10 LYS HE3 H 11.868 5.028 -2.369 1.00 . A A . 10 LYS HE3 1 1 1 130 1 1 10 LYS HG2 H 10.706 4.758 -4.439 1.00 . A A . 10 LYS HG2 1 1 1 131 1 1 10 LYS HG3 H 10.275 6.372 -3.910 1.00 . A A . 10 LYS HG3 1 1 1 132 1 1 10 LYS HZ1 H 10.172 5.348 -0.173 1.00 . A A . 10 LYS HZ1 1 1 1 133 1 1 10 LYS HZ2 H 11.147 4.094 0.189 1.00 . A A . 10 LYS HZ2 1 1 1 134 1 1 10 LYS N N 8.300 5.688 -7.139 1.00 . A A . 10 LYS N 1 1 1 135 1 1 10 LYS NZ N 11.042 4.893 -0.427 1.00 . A A . 10 LYS NZ 1 1 1 136 1 1 10 LYS O O 9.092 2.387 -6.113 1.00 . A A . 10 LYS O 1 1 1 137 1 1 11 CYS C C 7.349 1.446 -8.648 1.00 . A A . 11 CYS C 1 1 1 138 1 1 11 CYS CA C 6.658 1.984 -7.394 1.00 . A A . 11 CYS CA 1 1 1 139 1 1 11 CYS CB C 5.142 2.081 -7.575 1.00 . A A . 11 CYS CB 1 1 1 140 1 1 11 CYS H H 6.699 4.066 -7.341 1.00 . A A . 11 CYS H 1 1 1 141 1 1 11 CYS HA H 6.842 1.332 -6.540 1.00 . A A . 11 CYS HA 1 1 1 142 1 1 11 CYS HB2 H 4.932 2.745 -8.413 1.00 . A A . 11 CYS HB2 1 1 1 143 1 1 11 CYS HB3 H 4.759 1.097 -7.844 1.00 . A A . 11 CYS HB3 1 1 1 144 1 1 11 CYS N N 7.244 3.274 -7.068 1.00 . A A . 11 CYS N 1 1 1 145 1 1 11 CYS O O 7.524 0.237 -8.794 1.00 . A A . 11 CYS O 1 1 1 146 1 1 11 CYS SG S 4.230 2.684 -6.107 1.00 . A A . 11 CYS SG 1 1 1 147 1 1 12 ASN C C 9.831 1.580 -10.449 1.00 . A A . 12 ASN C 1 1 1 148 1 1 12 ASN CA C 8.393 2.003 -10.758 1.00 . A A . 12 ASN CA 1 1 1 149 1 1 12 ASN CB C 8.445 3.185 -11.727 1.00 . A A . 12 ASN CB 1 1 1 150 1 1 12 ASN CG C 9.549 2.992 -12.768 1.00 . A A . 12 ASN CG 1 1 1 151 1 1 12 ASN H H 7.579 3.351 -9.394 1.00 . A A . 12 ASN H 1 1 1 152 1 1 12 ASN HA H 7.799 1.189 -11.174 1.00 . A A . 12 ASN HA 1 1 1 153 1 1 12 ASN HB2 H 7.483 3.292 -12.228 1.00 . A A . 12 ASN HB2 1 1 1 154 1 1 12 ASN HB3 H 8.620 4.107 -11.173 1.00 . A A . 12 ASN HB3 1 1 1 155 1 1 12 ASN HD21 H 9.202 0.999 -12.699 1.00 . A A . 12 ASN HD21 1 1 1 156 1 1 12 ASN HD22 H 10.453 1.495 -13.789 1.00 . A A . 12 ASN HD22 1 1 1 157 1 1 12 ASN N N 7.724 2.370 -9.521 1.00 . A A . 12 ASN N 1 1 1 158 1 1 12 ASN ND2 N 9.751 1.724 -13.114 1.00 . A A . 12 ASN ND2 1 1 1 159 1 1 12 ASN O O 10.325 0.598 -11.001 1.00 . A A . 12 ASN O 1 1 1 160 1 1 12 ASN OD1 O 10.177 3.933 -13.228 1.00 . A A . 12 ASN OD1 1 1 1 161 1 1 13 ASN C C 11.869 0.775 -8.351 1.00 . A A . 13 ASN C 1 1 1 162 1 1 13 ASN CA C 11.833 2.060 -9.181 1.00 . A A . 13 ASN CA 1 1 1 163 1 1 13 ASN CB C 12.408 3.191 -8.325 1.00 . A A . 13 ASN CB 1 1 1 164 1 1 13 ASN CG C 12.141 4.554 -8.967 1.00 . A A . 13 ASN CG 1 1 1 165 1 1 13 ASN H H 10.053 3.140 -9.125 1.00 . A A . 13 ASN H 1 1 1 166 1 1 13 ASN HA H 12.383 1.967 -10.118 1.00 . A A . 13 ASN HA 1 1 1 167 1 1 13 ASN HB2 H 11.965 3.160 -7.330 1.00 . A A . 13 ASN HB2 1 1 1 168 1 1 13 ASN HB3 H 13.482 3.048 -8.201 1.00 . A A . 13 ASN HB3 1 1 1 169 1 1 13 ASN HD21 H 11.935 5.335 -7.111 1.00 . A A . 13 ASN HD21 1 1 1 170 1 1 13 ASN HD22 H 11.733 6.458 -8.414 1.00 . A A . 13 ASN HD22 1 1 1 171 1 1 13 ASN N N 10.462 2.343 -9.569 1.00 . A A . 13 ASN N 1 1 1 172 1 1 13 ASN ND2 N 11.918 5.530 -8.091 1.00 . A A . 13 ASN ND2 1 1 1 173 1 1 13 ASN O O 12.823 0.003 -8.438 1.00 . A A . 13 ASN O 1 1 1 174 1 1 13 ASN OD1 O 12.138 4.709 -10.177 1.00 . A A . 13 ASN OD1 1 1 1 175 1 1 14 HIS C C 10.428 -1.821 -7.588 1.00 . A A . 14 HIS C 1 1 1 176 1 1 14 HIS CA C 10.718 -0.593 -6.723 1.00 . A A . 14 HIS CA 1 1 1 177 1 1 14 HIS CB C 9.676 -0.385 -5.621 1.00 . A A . 14 HIS CB 1 1 1 178 1 1 14 HIS CD2 C 8.407 -2.650 -5.318 1.00 . A A . 14 HIS CD2 1 1 1 179 1 1 14 HIS CE1 C 9.176 -3.175 -3.338 1.00 . A A . 14 HIS CE1 1 1 1 180 1 1 14 HIS CG C 9.256 -1.657 -4.925 1.00 . A A . 14 HIS CG 1 1 1 181 1 1 14 HIS H H 10.047 1.218 -7.503 1.00 . A A . 14 HIS H 1 1 1 182 1 1 14 HIS HA H 11.688 -0.718 -6.243 1.00 . A A . 14 HIS HA 1 1 1 183 1 1 14 HIS HB2 H 10.079 0.307 -4.881 1.00 . A A . 14 HIS HB2 1 1 1 184 1 1 14 HIS HB3 H 8.795 0.089 -6.054 1.00 . A A . 14 HIS HB3 1 1 1 185 1 1 14 HIS HD1 H 10.368 -1.491 -3.116 1.00 . A A . 14 HIS HD1 1 1 1 186 1 1 14 HIS HD2 H 7.859 -2.684 -6.260 1.00 . A A . 14 HIS HD2 1 1 1 187 1 1 14 HIS HE1 H 9.346 -3.720 -2.409 1.00 . A A . 14 HIS HE1 1 1 1 188 1 1 14 HIS N N 10.818 0.585 -7.567 1.00 . A A . 14 HIS N 1 1 1 189 1 1 14 HIS ND1 N 9.724 -2.016 -3.673 1.00 . A A . 14 HIS ND1 1 1 1 190 1 1 14 HIS NE2 N 8.360 -3.566 -4.359 1.00 . A A . 14 HIS NE2 1 1 1 191 1 1 14 HIS O O 10.878 -2.923 -7.279 1.00 . A A . 14 HIS O 1 1 1 192 1 1 15 CYS C C 10.543 -2.978 -10.437 1.00 . A A . 15 CYS C 1 1 1 193 1 1 15 CYS CA C 9.323 -2.663 -9.568 1.00 . A A . 15 CYS CA 1 1 1 194 1 1 15 CYS CB C 8.098 -2.306 -10.412 1.00 . A A . 15 CYS CB 1 1 1 195 1 1 15 CYS H H 9.316 -0.690 -8.900 1.00 . A A . 15 CYS H 1 1 1 196 1 1 15 CYS HA H 9.054 -3.521 -8.952 1.00 . A A . 15 CYS HA 1 1 1 197 1 1 15 CYS HB2 H 8.267 -1.336 -10.880 1.00 . A A . 15 CYS HB2 1 1 1 198 1 1 15 CYS HB3 H 8.004 -3.036 -11.217 1.00 . A A . 15 CYS HB3 1 1 1 199 1 1 15 CYS N N 9.678 -1.589 -8.656 1.00 . A A . 15 CYS N 1 1 1 200 1 1 15 CYS O O 10.697 -4.103 -10.911 1.00 . A A . 15 CYS O 1 1 1 201 1 1 15 CYS SG S 6.520 -2.245 -9.488 1.00 . A A . 15 CYS SG 1 1 1 202 1 1 16 LYS C C 13.678 -2.758 -10.570 1.00 . A A . 16 LYS C 1 1 1 203 1 1 16 LYS CA C 12.578 -2.121 -11.422 1.00 . A A . 16 LYS CA 1 1 1 204 1 1 16 LYS CB C 12.982 -0.783 -12.046 1.00 . A A . 16 LYS CB 1 1 1 205 1 1 16 LYS CD C 14.240 1.345 -11.549 1.00 . A A . 16 LYS CD 1 1 1 206 1 1 16 LYS CE C 15.439 1.690 -12.435 1.00 . A A . 16 LYS CE 1 1 1 207 1 1 16 LYS CG C 14.161 -0.162 -11.295 1.00 . A A . 16 LYS CG 1 1 1 208 1 1 16 LYS H H 11.244 -1.054 -10.229 1.00 . A A . 16 LYS H 1 1 1 209 1 1 16 LYS HA H 12.339 -2.799 -12.240 1.00 . A A . 16 LYS HA 1 1 1 210 1 1 16 LYS HB2 H 13.250 -0.932 -13.092 1.00 . A A . 16 LYS HB2 1 1 1 211 1 1 16 LYS HB3 H 12.134 -0.099 -12.029 1.00 . A A . 16 LYS HB3 1 1 1 212 1 1 16 LYS HD2 H 13.321 1.686 -12.026 1.00 . A A . 16 LYS HD2 1 1 1 213 1 1 16 LYS HD3 H 14.321 1.874 -10.600 1.00 . A A . 16 LYS HD3 1 1 1 214 1 1 16 LYS HE2 H 15.964 0.778 -12.718 1.00 . A A . 16 LYS HE2 1 1 1 215 1 1 16 LYS HE3 H 15.094 2.158 -13.357 1.00 . A A . 16 LYS HE3 1 1 1 216 1 1 16 LYS HG2 H 14.056 -0.349 -10.226 1.00 . A A . 16 LYS HG2 1 1 1 217 1 1 16 LYS HG3 H 15.090 -0.636 -11.612 1.00 . A A . 16 LYS HG3 1 1 1 218 1 1 16 LYS HZ1 H 16.493 2.331 -10.756 1.00 . A A . 16 LYS HZ1 1 1 1 219 1 1 16 LYS HZ2 H 17.283 2.617 -12.151 1.00 . A A . 16 LYS HZ2 1 1 1 220 1 1 16 LYS N N 11.378 -1.966 -10.619 1.00 . A A . 16 LYS N 1 1 1 221 1 1 16 LYS NZ N 16.363 2.601 -11.725 1.00 . A A . 16 LYS NZ 1 1 1 222 1 1 16 LYS O O 14.587 -3.395 -11.099 1.00 . A A . 16 LYS O 1 1 1 223 1 1 17 SER C C 14.182 -4.567 -8.010 1.00 . A A . 17 SER C 1 1 1 224 1 1 17 SER CA C 14.530 -3.113 -8.334 1.00 . A A . 17 SER CA 1 1 1 225 1 1 17 SER CB C 14.593 -2.283 -7.050 1.00 . A A . 17 SER CB 1 1 1 226 1 1 17 SER H H 12.815 -2.045 -8.842 1.00 . A A . 17 SER H 1 1 1 227 1 1 17 SER HA H 15.488 -3.055 -8.850 1.00 . A A . 17 SER HA 1 1 1 228 1 1 17 SER HB2 H 14.044 -1.352 -7.193 1.00 . A A . 17 SER HB2 1 1 1 229 1 1 17 SER HB3 H 14.097 -2.824 -6.244 1.00 . A A . 17 SER HB3 1 1 1 230 1 1 17 SER HG H 16.155 -1.042 -6.900 1.00 . A A . 17 SER HG 1 1 1 231 1 1 17 SER N N 13.558 -2.565 -9.264 1.00 . A A . 17 SER N 1 1 1 232 1 1 17 SER O O 15.070 -5.381 -7.760 1.00 . A A . 17 SER O 1 1 1 233 1 1 17 SER OG O 15.934 -1.989 -6.669 1.00 . A A . 17 SER OG 1 1 1 234 1 1 18 ILE C C 12.608 -7.075 -8.967 1.00 . A A . 18 ILE C 1 1 1 235 1 1 18 ILE CA C 12.411 -6.191 -7.734 1.00 . A A . 18 ILE CA 1 1 1 236 1 1 18 ILE CB C 10.966 -6.150 -7.233 1.00 . A A . 18 ILE CB 1 1 1 237 1 1 18 ILE CD1 C 9.589 -6.748 -9.259 1.00 . A A . 18 ILE CD1 1 1 1 238 1 1 18 ILE CG1 C 10.024 -5.624 -8.317 1.00 . A A . 18 ILE CG1 1 1 1 239 1 1 18 ILE CG2 C 10.858 -5.342 -5.938 1.00 . A A . 18 ILE CG2 1 1 1 240 1 1 18 ILE H H 12.171 -4.182 -8.228 1.00 . A A . 18 ILE H 1 1 1 241 1 1 18 ILE HA H 13.022 -6.587 -6.924 1.00 . A A . 18 ILE HA 1 1 1 242 1 1 18 ILE HB H 10.655 -7.169 -7.003 1.00 . A A . 18 ILE HB 1 1 1 243 1 1 18 ILE HD11 H 8.561 -7.034 -9.034 1.00 . A A . 18 ILE HD11 1 1 1 244 1 1 18 ILE HD12 H 9.652 -6.403 -10.291 1.00 . A A . 18 ILE HD12 1 1 1 245 1 1 18 ILE HD13 H 10.243 -7.609 -9.123 1.00 . A A . 18 ILE HD13 1 1 1 246 1 1 18 ILE HG12 H 9.146 -5.173 -7.854 1.00 . A A . 18 ILE HG12 1 1 1 247 1 1 18 ILE HG13 H 10.521 -4.839 -8.887 1.00 . A A . 18 ILE HG13 1 1 1 248 1 1 18 ILE HG21 H 10.625 -6.011 -5.110 1.00 . A A . 18 ILE HG21 1 1 1 249 1 1 18 ILE HG22 H 11.806 -4.839 -5.743 1.00 . A A . 18 ILE HG22 1 1 1 250 1 1 18 ILE HG23 H 10.067 -4.599 -6.038 1.00 . A A . 18 ILE HG23 1 1 1 251 1 1 18 ILE N N 12.887 -4.849 -8.024 1.00 . A A . 18 ILE N 1 1 1 252 1 1 18 ILE O O 13.231 -8.133 -8.884 1.00 . A A . 18 ILE O 1 1 1 253 1 1 19 SER C C 10.927 -7.114 -12.185 1.00 . A A . 19 SER C 1 1 1 254 1 1 19 SER CA C 12.176 -7.344 -11.332 1.00 . A A . 19 SER CA 1 1 1 255 1 1 19 SER CB C 12.376 -8.839 -11.075 1.00 . A A . 19 SER CB 1 1 1 256 1 1 19 SER H H 11.562 -5.748 -10.143 1.00 . A A . 19 SER H 1 1 1 257 1 1 19 SER HA H 13.058 -6.940 -11.828 1.00 . A A . 19 SER HA 1 1 1 258 1 1 19 SER HB2 H 11.834 -9.128 -10.174 1.00 . A A . 19 SER HB2 1 1 1 259 1 1 19 SER HB3 H 11.949 -9.409 -11.900 1.00 . A A . 19 SER HB3 1 1 1 260 1 1 19 SER HG H 13.841 -10.070 -10.489 1.00 . A A . 19 SER HG 1 1 1 261 1 1 19 SER N N 12.067 -6.609 -10.083 1.00 . A A . 19 SER N 1 1 1 262 1 1 19 SER O O 10.138 -8.034 -12.398 1.00 . A A . 19 SER O 1 1 1 263 1 1 19 SER OG O 13.752 -9.176 -10.929 1.00 . A A . 19 SER OG 1 1 1 264 1 1 20 CYS C C 10.043 -4.323 -14.344 1.00 . A A . 20 CYS C 1 1 1 265 1 1 20 CYS CA C 9.646 -5.520 -13.476 1.00 . A A . 20 CYS CA 1 1 1 266 1 1 20 CYS CB C 8.406 -5.225 -12.630 1.00 . A A . 20 CYS CB 1 1 1 267 1 1 20 CYS H H 11.432 -5.140 -12.473 1.00 . A A . 20 CYS H 1 1 1 268 1 1 20 CYS HA H 9.419 -6.388 -14.095 1.00 . A A . 20 CYS HA 1 1 1 269 1 1 20 CYS HB2 H 8.727 -4.866 -11.653 1.00 . A A . 20 CYS HB2 1 1 1 270 1 1 20 CYS HB3 H 7.847 -4.415 -13.099 1.00 . A A . 20 CYS HB3 1 1 1 271 1 1 20 CYS N N 10.786 -5.882 -12.651 1.00 . A A . 20 CYS N 1 1 1 272 1 1 20 CYS O O 11.209 -3.935 -14.377 1.00 . A A . 20 CYS O 1 1 1 273 1 1 20 CYS SG S 7.283 -6.650 -12.392 1.00 . A A . 20 CYS SG 1 1 1 274 1 1 21 ARG C C 8.827 -1.340 -15.199 1.00 . A A . 21 ARG C 1 1 1 275 1 1 21 ARG CA C 9.279 -2.628 -15.891 1.00 . A A . 21 ARG CA 1 1 1 276 1 1 21 ARG CB C 8.527 -2.779 -17.214 1.00 . A A . 21 ARG CB 1 1 1 277 1 1 21 ARG CD C 10.125 -3.317 -19.089 1.00 . A A . 21 ARG CD 1 1 1 278 1 1 21 ARG CG C 9.139 -3.890 -18.069 1.00 . A A . 21 ARG CG 1 1 1 279 1 1 21 ARG CZ C 8.866 -4.042 -21.124 1.00 . A A . 21 ARG CZ 1 1 1 280 1 1 21 ARG H H 8.102 -4.094 -14.993 1.00 . A A . 21 ARG H 1 1 1 281 1 1 21 ARG HA H 10.355 -2.623 -16.066 1.00 . A A . 21 ARG HA 1 1 1 282 1 1 21 ARG HB2 H 7.478 -3.002 -17.018 1.00 . A A . 21 ARG HB2 1 1 1 283 1 1 21 ARG HB3 H 8.555 -1.837 -17.762 1.00 . A A . 21 ARG HB3 1 1 1 284 1 1 21 ARG HD2 H 9.937 -2.253 -19.231 1.00 . A A . 21 ARG HD2 1 1 1 285 1 1 21 ARG HD3 H 11.145 -3.414 -18.715 1.00 . A A . 21 ARG HD3 1 1 1 286 1 1 21 ARG HE H 10.784 -4.536 -20.720 1.00 . A A . 21 ARG HE 1 1 1 287 1 1 21 ARG HG2 H 9.649 -4.608 -17.428 1.00 . A A . 21 ARG HG2 1 1 1 288 1 1 21 ARG HG3 H 8.348 -4.432 -18.588 1.00 . A A . 21 ARG HG3 1 1 1 289 1 1 21 ARG HH11 H 7.779 -2.872 -19.850 1.00 . A A . 21 ARG HH11 1 1 1 290 1 1 21 ARG HH12 H 6.935 -3.391 -21.270 1.00 . A A . 21 ARG HH12 1 1 1 291 1 1 21 ARG HH21 H 8.066 -4.771 -22.870 1.00 . A A . 21 ARG HH21 1 1 1 292 1 1 21 ARG N N 9.049 -3.772 -15.025 1.00 . A A . 21 ARG N 1 1 1 293 1 1 21 ARG NE N 9.991 -4.031 -20.379 1.00 . A A . 21 ARG NE 1 1 1 294 1 1 21 ARG NH1 N 7.765 -3.378 -20.712 1.00 . A A . 21 ARG NH1 1 1 1 295 1 1 21 ARG NH2 N 8.857 -4.713 -22.261 1.00 . A A . 21 ARG NH2 1 1 1 296 1 1 21 ARG O O 9.634 -0.441 -14.966 1.00 . A A . 21 ARG O 1 1 1 297 1 1 22 ALA C C 5.621 -0.505 -13.618 1.00 . A A . 22 ALA C 1 1 1 298 1 1 22 ALA CA C 6.971 -0.129 -14.231 1.00 . A A . 22 ALA CA 1 1 1 299 1 1 22 ALA CB C 6.856 1.022 -15.233 1.00 . A A . 22 ALA CB 1 1 1 300 1 1 22 ALA H H 6.890 -2.027 -15.085 1.00 . A A . 22 ALA H 1 1 1 301 1 1 22 ALA HA H 7.653 0.167 -13.434 1.00 . A A . 22 ALA HA 1 1 1 302 1 1 22 ALA HB1 H 7.394 1.890 -14.852 1.00 . A A . 22 ALA HB1 1 1 1 303 1 1 22 ALA HB2 H 7.287 0.717 -16.187 1.00 . A A . 22 ALA HB2 1 1 1 304 1 1 22 ALA HB3 H 5.806 1.278 -15.373 1.00 . A A . 22 ALA HB3 1 1 1 305 1 1 22 ALA N N 7.540 -1.292 -14.891 1.00 . A A . 22 ALA N 1 1 1 306 1 1 22 ALA O O 4.848 -1.250 -14.219 1.00 . A A . 22 ALA O 1 1 1 307 1 1 23 GLY C C 3.315 1.038 -11.551 1.00 . A A . 23 GLY C 1 1 1 308 1 1 23 GLY CA C 4.134 -0.242 -11.728 1.00 . A A . 23 GLY CA 1 1 1 309 1 1 23 GLY H H 6.011 0.633 -11.948 1.00 . A A . 23 GLY H 1 1 1 310 1 1 23 GLY HA2 H 3.551 -0.977 -12.284 1.00 . A A . 23 GLY HA2 1 1 1 311 1 1 23 GLY HA3 H 4.350 -0.679 -10.753 1.00 . A A . 23 GLY HA3 1 1 1 312 1 1 23 GLY N N 5.378 0.028 -12.429 1.00 . A A . 23 GLY N 1 1 1 313 1 1 23 GLY O O 3.506 2.007 -12.283 1.00 . A A . 23 GLY O 1 1 1 314 1 1 24 TYR C C 0.744 1.914 -9.025 1.00 . A A . 24 TYR C 1 1 1 315 1 1 24 TYR CA C 1.572 2.144 -10.291 1.00 . A A . 24 TYR CA 1 1 1 316 1 1 24 TYR CB C 0.627 2.274 -11.487 1.00 . A A . 24 TYR CB 1 1 1 317 1 1 24 TYR CD1 C -1.358 0.941 -10.688 1.00 . A A . 24 TYR CD1 1 1 1 318 1 1 24 TYR CD2 C -0.259 0.245 -12.694 1.00 . A A . 24 TYR CD2 1 1 1 319 1 1 24 TYR CE1 C -2.290 -0.149 -10.820 1.00 . A A . 24 TYR CE1 1 1 1 320 1 1 24 TYR CE2 C -1.191 -0.845 -12.826 1.00 . A A . 24 TYR CE2 1 1 1 321 1 1 24 TYR CG C -0.363 1.116 -11.627 1.00 . A A . 24 TYR CG 1 1 1 322 1 1 24 TYR CZ C -2.160 -0.988 -11.882 1.00 . A A . 24 TYR CZ 1 1 1 323 1 1 24 TYR H H 2.272 0.206 -9.983 1.00 . A A . 24 TYR H 1 1 1 324 1 1 24 TYR HA H 2.215 3.011 -10.143 1.00 . A A . 24 TYR HA 1 1 1 325 1 1 24 TYR HB2 H 0.069 3.206 -11.397 1.00 . A A . 24 TYR HB2 1 1 1 326 1 1 24 TYR HB3 H 1.219 2.345 -12.399 1.00 . A A . 24 TYR HB3 1 1 1 327 1 1 24 TYR HD1 H -1.440 1.629 -9.846 1.00 . A A . 24 TYR HD1 1 1 1 328 1 1 24 TYR HD2 H 0.527 0.383 -13.436 1.00 . A A . 24 TYR HD2 1 1 1 329 1 1 24 TYR HE1 H -3.081 -0.298 -10.085 1.00 . A A . 24 TYR HE1 1 1 1 330 1 1 24 TYR HE2 H -1.120 -1.540 -13.662 1.00 . A A . 24 TYR HE2 1 1 1 331 1 1 24 TYR HH H -2.630 -2.754 -12.547 1.00 . A A . 24 TYR HH 1 1 1 332 1 1 24 TYR N N 2.421 0.999 -10.574 1.00 . A A . 24 TYR N 1 1 1 333 1 1 24 TYR O O 0.545 0.774 -8.608 1.00 . A A . 24 TYR O 1 1 1 334 1 1 24 TYR OH O -3.039 -2.018 -12.007 1.00 . A A . 24 TYR OH 1 1 1 335 1 1 25 CYS C C -1.981 2.756 -7.642 1.00 . A A . 25 CYS C 1 1 1 336 1 1 25 CYS CA C -0.517 2.946 -7.239 1.00 . A A . 25 CYS CA 1 1 1 337 1 1 25 CYS CB C -0.323 4.185 -6.362 1.00 . A A . 25 CYS CB 1 1 1 338 1 1 25 CYS H H 0.451 3.938 -8.794 1.00 . A A . 25 CYS H 1 1 1 339 1 1 25 CYS HA H -0.157 2.088 -6.672 1.00 . A A . 25 CYS HA 1 1 1 340 1 1 25 CYS HB2 H -0.844 5.024 -6.823 1.00 . A A . 25 CYS HB2 1 1 1 341 1 1 25 CYS HB3 H -0.797 4.007 -5.396 1.00 . A A . 25 CYS HB3 1 1 1 342 1 1 25 CYS N N 0.284 3.014 -8.449 1.00 . A A . 25 CYS N 1 1 1 343 1 1 25 CYS O O -2.532 3.562 -8.390 1.00 . A A . 25 CYS O 1 1 1 344 1 1 25 CYS SG S 1.421 4.661 -6.080 1.00 . A A . 25 CYS SG 1 1 1 345 1 1 26 ASP C C -4.762 2.679 -7.479 1.00 . A A . 26 ASP C 1 1 1 346 1 1 26 ASP CA C -3.957 1.379 -7.426 1.00 . A A . 26 ASP CA 1 1 1 347 1 1 26 ASP CB C -4.569 0.488 -6.342 1.00 . A A . 26 ASP CB 1 1 1 348 1 1 26 ASP CG C -5.750 -0.369 -6.801 1.00 . A A . 26 ASP CG 1 1 1 349 1 1 26 ASP H H -2.113 1.035 -6.521 1.00 . A A . 26 ASP H 1 1 1 350 1 1 26 ASP HA H -3.937 0.861 -8.385 1.00 . A A . 26 ASP HA 1 1 1 351 1 1 26 ASP HB2 H -3.792 -0.170 -5.953 1.00 . A A . 26 ASP HB2 1 1 1 352 1 1 26 ASP HB3 H -4.896 1.119 -5.516 1.00 . A A . 26 ASP HB3 1 1 1 353 1 1 26 ASP HD2 H -5.593 -2.180 -6.307 1.00 . A A . 26 ASP HD2 1 1 1 354 1 1 26 ASP N N -2.568 1.685 -7.128 1.00 . A A . 26 ASP N 1 1 1 355 1 1 26 ASP O O -5.132 3.226 -6.441 1.00 . A A . 26 ASP O 1 1 1 356 1 1 26 ASP OD1 O -6.349 -0.119 -7.858 1.00 . A A . 26 ASP OD1 1 1 1 357 1 1 26 ASP OD2 O -6.055 -1.343 -6.012 1.00 . A A . 26 ASP OD2 1 1 1 358 1 1 27 ALA C C -7.215 4.136 -8.476 1.00 . A A . 27 ALA C 1 1 1 359 1 1 27 ALA CA C -5.762 4.361 -8.900 1.00 . A A . 27 ALA CA 1 1 1 360 1 1 27 ALA CB C -5.642 4.800 -10.360 1.00 . A A . 27 ALA CB 1 1 1 361 1 1 27 ALA H H -4.703 2.684 -9.536 1.00 . A A . 27 ALA H 1 1 1 362 1 1 27 ALA HA H -5.322 5.130 -8.265 1.00 . A A . 27 ALA HA 1 1 1 363 1 1 27 ALA HB1 H -5.683 3.923 -11.007 1.00 . A A . 27 ALA HB1 1 1 1 364 1 1 27 ALA HB2 H -6.465 5.472 -10.607 1.00 . A A . 27 ALA HB2 1 1 1 365 1 1 27 ALA HB3 H -4.694 5.316 -10.508 1.00 . A A . 27 ALA HB3 1 1 1 366 1 1 27 ALA N N -5.008 3.135 -8.698 1.00 . A A . 27 ALA N 1 1 1 367 1 1 27 ALA O O -8.007 5.077 -8.438 1.00 . A A . 27 ALA O 1 1 1 368 1 1 28 ALA C C -8.905 2.412 -6.222 1.00 . A A . 28 ALA C 1 1 1 369 1 1 28 ALA CA C -8.865 2.525 -7.747 1.00 . A A . 28 ALA CA 1 1 1 370 1 1 28 ALA CB C -9.286 1.227 -8.440 1.00 . A A . 28 ALA CB 1 1 1 371 1 1 28 ALA H H -6.872 2.126 -8.200 1.00 . A A . 28 ALA H 1 1 1 372 1 1 28 ALA HA H -9.536 3.324 -8.062 1.00 . A A . 28 ALA HA 1 1 1 373 1 1 28 ALA HB1 H -9.940 1.459 -9.280 1.00 . A A . 28 ALA HB1 1 1 1 374 1 1 28 ALA HB2 H -8.401 0.705 -8.802 1.00 . A A . 28 ALA HB2 1 1 1 375 1 1 28 ALA HB3 H -9.817 0.592 -7.730 1.00 . A A . 28 ALA HB3 1 1 1 376 1 1 28 ALA N N -7.521 2.885 -8.167 1.00 . A A . 28 ALA N 1 1 1 377 1 1 28 ALA O O -9.941 2.081 -5.647 1.00 . A A . 28 ALA O 1 1 1 378 1 1 29 THR C C -7.161 3.961 -3.603 1.00 . A A . 29 THR C 1 1 1 379 1 1 29 THR CA C -7.656 2.626 -4.162 1.00 . A A . 29 THR CA 1 1 1 380 1 1 29 THR CB C -6.748 1.446 -3.810 1.00 . A A . 29 THR CB 1 1 1 381 1 1 29 THR CG2 C -5.371 1.893 -3.316 1.00 . A A . 29 THR CG2 1 1 1 382 1 1 29 THR H H -6.926 2.960 -6.084 1.00 . A A . 29 THR H 1 1 1 383 1 1 29 THR HA H -8.651 2.455 -3.751 1.00 . A A . 29 THR HA 1 1 1 384 1 1 29 THR HB H -6.656 0.760 -4.652 1.00 . A A . 29 THR HB 1 1 1 385 1 1 29 THR HG1 H -7.379 1.535 -1.913 1.00 . A A . 29 THR HG1 1 1 1 386 1 1 29 THR HG21 H -4.638 1.114 -3.527 1.00 . A A . 29 THR HG21 1 1 1 387 1 1 29 THR HG22 H -5.083 2.812 -3.827 1.00 . A A . 29 THR HG22 1 1 1 388 1 1 29 THR HG23 H -5.411 2.072 -2.241 1.00 . A A . 29 THR HG23 1 1 1 389 1 1 29 THR N N -7.764 2.692 -5.610 1.00 . A A . 29 THR N 1 1 1 390 1 1 29 THR O O -6.591 4.009 -2.514 1.00 . A A . 29 THR O 1 1 1 391 1 1 29 THR OG1 O -7.359 0.869 -2.658 1.00 . A A . 29 THR OG1 1 1 1 392 1 1 30 LEU C C -5.455 6.431 -3.999 1.00 . A A . 30 LEU C 1 1 1 393 1 1 30 LEU CA C -6.983 6.345 -3.968 1.00 . A A . 30 LEU CA 1 1 1 394 1 1 30 LEU CB C -7.591 6.707 -2.612 1.00 . A A . 30 LEU CB 1 1 1 395 1 1 30 LEU CD1 C -9.457 6.387 -0.946 1.00 . A A . 30 LEU CD1 1 1 1 396 1 1 30 LEU CD2 C -9.960 7.269 -3.270 1.00 . A A . 30 LEU CD2 1 1 1 397 1 1 30 LEU CG C -9.069 6.356 -2.425 1.00 . A A . 30 LEU CG 1 1 1 398 1 1 30 LEU H H -7.861 4.965 -5.258 1.00 . A A . 30 LEU H 1 1 1 399 1 1 30 LEU HA H -7.383 7.048 -4.699 1.00 . A A . 30 LEU HA 1 1 1 400 1 1 30 LEU HB2 H -7.018 6.204 -1.833 1.00 . A A . 30 LEU HB2 1 1 1 401 1 1 30 LEU HB3 H -7.470 7.778 -2.455 1.00 . A A . 30 LEU HB3 1 1 1 402 1 1 30 LEU HD11 H -8.618 6.040 -0.343 1.00 . A A . 30 LEU HD11 1 1 1 403 1 1 30 LEU HD12 H -9.714 7.406 -0.658 1.00 . A A . 30 LEU HD12 1 1 1 404 1 1 30 LEU HD13 H -10.316 5.736 -0.782 1.00 . A A . 30 LEU HD13 1 1 1 405 1 1 30 LEU HD21 H -10.670 6.664 -3.834 1.00 . A A . 30 LEU HD21 1 1 1 406 1 1 30 LEU HD22 H -10.503 7.953 -2.618 1.00 . A A . 30 LEU HD22 1 1 1 407 1 1 30 LEU HD23 H -9.341 7.841 -3.962 1.00 . A A . 30 LEU HD23 1 1 1 408 1 1 30 LEU HG H -9.226 5.337 -2.778 1.00 . A A . 30 LEU HG 1 1 1 409 1 1 30 LEU N N -7.397 5.013 -4.373 1.00 . A A . 30 LEU N 1 1 1 410 1 1 30 LEU O O -4.861 7.239 -3.288 1.00 . A A . 30 LEU O 1 1 1 411 1 1 31 TRP C C -2.818 5.370 -3.569 1.00 . A A . 31 TRP C 1 1 1 412 1 1 31 TRP CA C -3.417 5.557 -4.964 1.00 . A A . 31 TRP CA 1 1 1 413 1 1 31 TRP CB C -2.906 6.814 -5.671 1.00 . A A . 31 TRP CB 1 1 1 414 1 1 31 TRP CD1 C -2.521 6.634 -8.217 1.00 . A A . 31 TRP CD1 1 1 1 415 1 1 31 TRP CD2 C -4.574 7.276 -7.686 1.00 . A A . 31 TRP CD2 1 1 1 416 1 1 31 TRP CE2 C -4.502 7.221 -9.063 1.00 . A A . 31 TRP CE2 1 1 1 417 1 1 31 TRP CE3 C -5.757 7.655 -7.028 1.00 . A A . 31 TRP CE3 1 1 1 418 1 1 31 TRP CG C -3.289 6.895 -7.150 1.00 . A A . 31 TRP CG 1 1 1 419 1 1 31 TRP CH2 C -6.770 7.912 -9.267 1.00 . A A . 31 TRP CH2 1 1 1 420 1 1 31 TRP CZ2 C -5.581 7.532 -9.899 1.00 . A A . 31 TRP CZ2 1 1 1 421 1 1 31 TRP CZ3 C -6.826 7.963 -7.879 1.00 . A A . 31 TRP CZ3 1 1 1 422 1 1 31 TRP H H -5.355 4.932 -5.406 1.00 . A A . 31 TRP H 1 1 1 423 1 1 31 TRP HA H -3.158 4.709 -5.598 1.00 . A A . 31 TRP HA 1 1 1 424 1 1 31 TRP HB2 H -3.296 7.692 -5.156 1.00 . A A . 31 TRP HB2 1 1 1 425 1 1 31 TRP HB3 H -1.820 6.850 -5.585 1.00 . A A . 31 TRP HB3 1 1 1 426 1 1 31 TRP HD1 H -1.480 6.316 -8.160 1.00 . A A . 31 TRP HD1 1 1 1 427 1 1 31 TRP HE1 H -2.824 6.673 -10.403 1.00 . A A . 31 TRP HE1 1 1 1 428 1 1 31 TRP HE3 H -5.839 7.707 -5.942 1.00 . A A . 31 TRP HE3 1 1 1 429 1 1 31 TRP HH2 H -7.648 8.167 -9.860 1.00 . A A . 31 TRP HH2 1 1 1 430 1 1 31 TRP HZ2 H -5.499 7.480 -10.985 1.00 . A A . 31 TRP HZ2 1 1 1 431 1 1 31 TRP HZ3 H -7.768 8.263 -7.420 1.00 . A A . 31 TRP HZ3 1 1 1 432 1 1 31 TRP N N -4.864 5.586 -4.831 1.00 . A A . 31 TRP N 1 1 1 433 1 1 31 TRP NE1 N -3.214 6.818 -9.396 1.00 . A A . 31 TRP NE1 1 1 1 434 1 1 31 TRP O O -2.604 6.342 -2.846 1.00 . A A . 31 TRP O 1 1 1 435 1 1 32 LEU C C -1.025 2.612 -2.092 1.00 . A A . 32 LEU C 1 1 1 436 1 1 32 LEU CA C -1.993 3.787 -1.937 1.00 . A A . 32 LEU CA 1 1 1 437 1 1 32 LEU CB C -3.100 3.540 -0.911 1.00 . A A . 32 LEU CB 1 1 1 438 1 1 32 LEU CD1 C -4.745 4.408 0.793 1.00 . A A . 32 LEU CD1 1 1 1 439 1 1 32 LEU CD2 C -2.609 5.690 0.313 1.00 . A A . 32 LEU CD2 1 1 1 440 1 1 32 LEU CG C -3.703 4.788 -0.261 1.00 . A A . 32 LEU CG 1 1 1 441 1 1 32 LEU H H -2.740 3.329 -3.827 1.00 . A A . 32 LEU H 1 1 1 442 1 1 32 LEU HA H -1.429 4.657 -1.600 1.00 . A A . 32 LEU HA 1 1 1 443 1 1 32 LEU HB2 H -3.902 2.985 -1.397 1.00 . A A . 32 LEU HB2 1 1 1 444 1 1 32 LEU HB3 H -2.702 2.901 -0.123 1.00 . A A . 32 LEU HB3 1 1 1 445 1 1 32 LEU HD11 H -4.642 5.064 1.658 1.00 . A A . 32 LEU HD11 1 1 1 446 1 1 32 LEU HD12 H -5.744 4.515 0.372 1.00 . A A . 32 LEU HD12 1 1 1 447 1 1 32 LEU HD13 H -4.589 3.374 1.101 1.00 . A A . 32 LEU HD13 1 1 1 448 1 1 32 LEU HD21 H -1.897 5.085 0.875 1.00 . A A . 32 LEU HD21 1 1 1 449 1 1 32 LEU HD22 H -2.092 6.197 -0.501 1.00 . A A . 32 LEU HD22 1 1 1 450 1 1 32 LEU HD23 H -3.059 6.430 0.975 1.00 . A A . 32 LEU HD23 1 1 1 451 1 1 32 LEU HG H -4.219 5.359 -1.033 1.00 . A A . 32 LEU HG 1 1 1 452 1 1 32 LEU N N -2.563 4.114 -3.233 1.00 . A A . 32 LEU N 1 1 1 453 1 1 32 LEU O O 0.106 2.667 -1.612 1.00 . A A . 32 LEU O 1 1 1 454 1 1 33 ARG C C 0.390 0.677 -4.027 1.00 . A A . 33 ARG C 1 1 1 455 1 1 33 ARG CA C -0.697 0.390 -2.989 1.00 . A A . 33 ARG CA 1 1 1 456 1 1 33 ARG CB C -1.557 -0.779 -3.471 1.00 . A A . 33 ARG CB 1 1 1 457 1 1 33 ARG CD C -2.405 -2.457 -1.790 1.00 . A A . 33 ARG CD 1 1 1 458 1 1 33 ARG CG C -1.235 -2.056 -2.691 1.00 . A A . 33 ARG CG 1 1 1 459 1 1 33 ARG CZ C -2.250 -4.915 -2.220 1.00 . A A . 33 ARG CZ 1 1 1 460 1 1 33 ARG H H -2.426 1.540 -3.152 1.00 . A A . 33 ARG H 1 1 1 461 1 1 33 ARG HA H -0.260 0.162 -2.017 1.00 . A A . 33 ARG HA 1 1 1 462 1 1 33 ARG HB2 H -2.612 -0.533 -3.352 1.00 . A A . 33 ARG HB2 1 1 1 463 1 1 33 ARG HB3 H -1.387 -0.947 -4.535 1.00 . A A . 33 ARG HB3 1 1 1 464 1 1 33 ARG HD2 H -2.072 -2.518 -0.754 1.00 . A A . 33 ARG HD2 1 1 1 465 1 1 33 ARG HD3 H -3.184 -1.696 -1.830 1.00 . A A . 33 ARG HD3 1 1 1 466 1 1 33 ARG HE H -3.901 -3.792 -2.536 1.00 . A A . 33 ARG HE 1 1 1 467 1 1 33 ARG HG2 H -1.013 -2.865 -3.386 1.00 . A A . 33 ARG HG2 1 1 1 468 1 1 33 ARG HG3 H -0.342 -1.900 -2.086 1.00 . A A . 33 ARG HG3 1 1 1 469 1 1 33 ARG HH11 H -0.526 -4.090 -1.500 1.00 . A A . 33 ARG HH11 1 1 1 470 1 1 33 ARG HH12 H -0.451 -5.793 -1.809 1.00 . A A . 33 ARG HH12 1 1 1 471 1 1 33 ARG HH21 H -2.390 -6.917 -2.657 1.00 . A A . 33 ARG HH21 1 1 1 472 1 1 33 ARG N N -1.505 1.576 -2.765 1.00 . A A . 33 ARG N 1 1 1 473 1 1 33 ARG NE N -2.952 -3.762 -2.222 1.00 . A A . 33 ARG NE 1 1 1 474 1 1 33 ARG NH1 N -0.965 -4.934 -1.808 1.00 . A A . 33 ARG NH1 1 1 1 475 1 1 33 ARG NH2 N -2.839 -6.024 -2.628 1.00 . A A . 33 ARG NH2 1 1 1 476 1 1 33 ARG O O 0.435 1.765 -4.600 1.00 . A A . 33 ARG O 1 1 1 477 1 1 34 CYS C C 2.359 -1.450 -6.058 1.00 . A A . 34 CYS C 1 1 1 478 1 1 34 CYS CA C 2.323 -0.186 -5.197 1.00 . A A . 34 CYS CA 1 1 1 479 1 1 34 CYS CB C 3.663 0.072 -4.505 1.00 . A A . 34 CYS CB 1 1 1 480 1 1 34 CYS H H 1.196 -1.200 -3.768 1.00 . A A . 34 CYS H 1 1 1 481 1 1 34 CYS HA H 2.098 0.690 -5.805 1.00 . A A . 34 CYS HA 1 1 1 482 1 1 34 CYS HB2 H 3.577 -0.219 -3.458 1.00 . A A . 34 CYS HB2 1 1 1 483 1 1 34 CYS HB3 H 4.418 -0.574 -4.954 1.00 . A A . 34 CYS HB3 1 1 1 484 1 1 34 CYS N N 1.239 -0.318 -4.238 1.00 . A A . 34 CYS N 1 1 1 485 1 1 34 CYS O O 3.128 -2.370 -5.784 1.00 . A A . 34 CYS O 1 1 1 486 1 1 34 CYS SG S 4.248 1.804 -4.586 1.00 . A A . 34 CYS SG 1 1 1 487 1 1 35 THR C C 2.582 -2.538 -9.003 1.00 . A A . 35 THR C 1 1 1 488 1 1 35 THR CA C 1.443 -2.592 -7.984 1.00 . A A . 35 THR CA 1 1 1 489 1 1 35 THR CB C 0.054 -2.597 -8.625 1.00 . A A . 35 THR CB 1 1 1 490 1 1 35 THR CG2 C 0.107 -2.382 -10.139 1.00 . A A . 35 THR CG2 1 1 1 491 1 1 35 THR H H 0.894 -0.703 -7.297 1.00 . A A . 35 THR H 1 1 1 492 1 1 35 THR HA H 1.578 -3.503 -7.401 1.00 . A A . 35 THR HA 1 1 1 493 1 1 35 THR HB H -0.597 -1.862 -8.150 1.00 . A A . 35 THR HB 1 1 1 494 1 1 35 THR HG1 H 0.301 -4.572 -8.835 1.00 . A A . 35 THR HG1 1 1 1 495 1 1 35 THR HG21 H -0.883 -2.551 -10.564 1.00 . A A . 35 THR HG21 1 1 1 496 1 1 35 THR HG22 H 0.424 -1.361 -10.350 1.00 . A A . 35 THR HG22 1 1 1 497 1 1 35 THR HG23 H 0.816 -3.082 -10.580 1.00 . A A . 35 THR HG23 1 1 1 498 1 1 35 THR N N 1.517 -1.456 -7.081 1.00 . A A . 35 THR N 1 1 1 499 1 1 35 THR O O 3.193 -1.489 -9.203 1.00 . A A . 35 THR O 1 1 1 500 1 1 35 THR OG1 O -0.390 -3.943 -8.480 1.00 . A A . 35 THR OG1 1 1 1 501 1 1 36 CYS C C 3.271 -4.264 -11.928 1.00 . A A . 36 CYS C 1 1 1 502 1 1 36 CYS CA C 3.890 -3.779 -10.616 1.00 . A A . 36 CYS CA 1 1 1 503 1 1 36 CYS CB C 5.025 -4.692 -10.149 1.00 . A A . 36 CYS CB 1 1 1 504 1 1 36 CYS H H 2.334 -4.531 -9.454 1.00 . A A . 36 CYS H 1 1 1 505 1 1 36 CYS HA H 4.305 -2.778 -10.730 1.00 . A A . 36 CYS HA 1 1 1 506 1 1 36 CYS HB2 H 4.598 -5.636 -9.811 1.00 . A A . 36 CYS HB2 1 1 1 507 1 1 36 CYS HB3 H 5.665 -4.919 -11.002 1.00 . A A . 36 CYS HB3 1 1 1 508 1 1 36 CYS N N 2.835 -3.682 -9.622 1.00 . A A . 36 CYS N 1 1 1 509 1 1 36 CYS O O 2.533 -5.248 -11.945 1.00 . A A . 36 CYS O 1 1 1 510 1 1 36 CYS SG S 6.061 -4.004 -8.807 1.00 . A A . 36 CYS SG 1 1 1 511 1 1 37 THR C C 4.224 -4.030 -15.315 1.00 . A A . 37 THR C 1 1 1 512 1 1 37 THR CA C 3.078 -3.895 -14.311 1.00 . A A . 37 THR CA 1 1 1 513 1 1 37 THR CB C 2.045 -2.838 -14.706 1.00 . A A . 37 THR CB 1 1 1 514 1 1 37 THR CG2 C 0.693 -3.056 -14.024 1.00 . A A . 37 THR CG2 1 1 1 515 1 1 37 THR H H 4.194 -2.750 -12.975 1.00 . A A . 37 THR H 1 1 1 516 1 1 37 THR HA H 2.594 -4.869 -14.245 1.00 . A A . 37 THR HA 1 1 1 517 1 1 37 THR HB H 1.932 -2.790 -15.789 1.00 . A A . 37 THR HB 1 1 1 518 1 1 37 THR HG1 H 2.300 -0.853 -14.698 1.00 . A A . 37 THR HG1 1 1 1 519 1 1 37 THR HG21 H 0.621 -4.088 -13.682 1.00 . A A . 37 THR HG21 1 1 1 520 1 1 37 THR HG22 H 0.603 -2.383 -13.171 1.00 . A A . 37 THR HG22 1 1 1 521 1 1 37 THR HG23 H -0.109 -2.852 -14.734 1.00 . A A . 37 THR HG23 1 1 1 522 1 1 37 THR N N 3.593 -3.550 -12.997 1.00 . A A . 37 THR N 1 1 1 523 1 1 37 THR O O 5.229 -3.327 -15.214 1.00 . A A . 37 THR O 1 1 1 524 1 1 37 THR OG1 O 2.538 -1.635 -14.122 1.00 . A A . 37 THR OG1 1 1 1 525 1 1 38 ASP C C 6.350 -5.603 -16.615 1.00 . A A . 38 ASP C 1 1 1 526 1 1 38 ASP CA C 5.042 -5.174 -17.283 1.00 . A A . 38 ASP CA 1 1 1 527 1 1 38 ASP CB C 5.318 -3.903 -18.088 1.00 . A A . 38 ASP CB 1 1 1 528 1 1 38 ASP CG C 4.326 -3.627 -19.220 1.00 . A A . 38 ASP CG 1 1 1 529 1 1 38 ASP H H 3.216 -5.506 -16.336 1.00 . A A . 38 ASP H 1 1 1 530 1 1 38 ASP HA H 4.625 -5.952 -17.921 1.00 . A A . 38 ASP HA 1 1 1 531 1 1 38 ASP HB2 H 5.316 -3.052 -17.407 1.00 . A A . 38 ASP HB2 1 1 1 532 1 1 38 ASP HB3 H 6.320 -3.969 -18.512 1.00 . A A . 38 ASP HB3 1 1 1 533 1 1 38 ASP HD2 H 4.423 -1.781 -18.856 1.00 . A A . 38 ASP HD2 1 1 1 534 1 1 38 ASP N N 4.036 -4.938 -16.261 1.00 . A A . 38 ASP N 1 1 1 535 1 1 38 ASP O O 6.973 -4.820 -15.900 1.00 . A A . 38 ASP O 1 1 1 536 1 1 38 ASP OD1 O 3.623 -4.534 -19.688 1.00 . A A . 38 ASP OD1 1 1 1 537 1 1 38 ASP OD2 O 4.291 -2.403 -19.627 1.00 . A A . 38 ASP OD2 1 1 1 538 1 1 39 CYS C C 8.671 -8.189 -17.392 1.00 . A A . 39 CYS C 1 1 1 539 1 1 39 CYS CA C 7.950 -7.390 -16.304 1.00 . A A . 39 CYS CA 1 1 1 540 1 1 39 CYS CB C 7.669 -8.240 -15.063 1.00 . A A . 39 CYS CB 1 1 1 541 1 1 39 CYS H H 6.215 -7.478 -17.454 1.00 . A A . 39 CYS H 1 1 1 542 1 1 39 CYS HA H 8.552 -6.539 -15.985 1.00 . A A . 39 CYS HA 1 1 1 543 1 1 39 CYS HB2 H 7.207 -9.176 -15.378 1.00 . A A . 39 CYS HB2 1 1 1 544 1 1 39 CYS HB3 H 8.618 -8.496 -14.593 1.00 . A A . 39 CYS HB3 1 1 1 545 1 1 39 CYS N N 6.728 -6.847 -16.871 1.00 . A A . 39 CYS N 1 1 1 546 1 1 39 CYS O O 8.032 -8.773 -18.265 1.00 . A A . 39 CYS O 1 1 1 547 1 1 39 CYS SG S 6.591 -7.446 -13.816 1.00 . A A . 39 CYS SG 1 1 1 548 1 1 40 ASN C C 11.463 -10.108 -17.585 1.00 . A A . 40 ASN C 1 1 1 549 1 1 40 ASN CA C 10.808 -8.906 -18.269 1.00 . A A . 40 ASN CA 1 1 1 550 1 1 40 ASN CB C 11.921 -8.013 -18.822 1.00 . A A . 40 ASN CB 1 1 1 551 1 1 40 ASN CG C 12.557 -8.636 -20.066 1.00 . A A . 40 ASN CG 1 1 1 552 1 1 40 ASN H H 10.506 -7.711 -16.589 1.00 . A A . 40 ASN H 1 1 1 553 1 1 40 ASN HA H 10.120 -9.200 -19.061 1.00 . A A . 40 ASN HA 1 1 1 554 1 1 40 ASN HB2 H 11.515 -7.032 -19.069 1.00 . A A . 40 ASN HB2 1 1 1 555 1 1 40 ASN HB3 H 12.683 -7.859 -18.057 1.00 . A A . 40 ASN HB3 1 1 1 556 1 1 40 ASN HD21 H 10.861 -8.214 -21.087 1.00 . A A . 40 ASN HD21 1 1 1 557 1 1 40 ASN HD22 H 12.102 -8.999 -22.005 1.00 . A A . 40 ASN HD22 1 1 1 558 1 1 40 ASN N N 9.993 -8.189 -17.303 1.00 . A A . 40 ASN N 1 1 1 559 1 1 40 ASN ND2 N 11.775 -8.615 -21.141 1.00 . A A . 40 ASN ND2 1 1 1 560 1 1 40 ASN O O 12.644 -10.065 -17.243 1.00 . A A . 40 ASN O 1 1 1 561 1 1 40 ASN OD1 O 13.683 -9.106 -20.049 1.00 . A A . 40 ASN OD1 1 1 1 562 1 1 41 GLY C C 10.192 -13.530 -17.000 1.00 . A A . 41 GLY C 1 1 1 563 1 1 41 GLY CA C 11.154 -12.363 -16.767 1.00 . A A . 41 GLY CA 1 1 1 564 1 1 41 GLY H H 9.707 -11.178 -17.685 1.00 . A A . 41 GLY H 1 1 1 565 1 1 41 GLY HA2 H 12.139 -12.614 -17.161 1.00 . A A . 41 GLY HA2 1 1 1 566 1 1 41 GLY HA3 H 11.273 -12.193 -15.697 1.00 . A A . 41 GLY HA3 1 1 1 567 1 1 41 GLY N N 10.667 -11.151 -17.405 1.00 . A A . 41 GLY N 1 1 1 568 1 1 41 GLY O O 9.671 -14.109 -16.049 1.00 . A A . 41 GLY O 1 1 1 569 1 1 42 LYS C C 9.726 -15.730 -19.783 1.00 . A A . 42 LYS C 1 1 1 570 1 1 42 LYS CA C 9.097 -14.928 -18.642 1.00 . A A . 42 LYS CA 1 1 1 571 1 1 42 LYS CB C 7.701 -14.392 -18.964 1.00 . A A . 42 LYS CB 1 1 1 572 1 1 42 LYS CD C 6.164 -15.236 -17.151 1.00 . A A . 42 LYS CD 1 1 1 573 1 1 42 LYS CE C 6.903 -16.198 -16.219 1.00 . A A . 42 LYS CE 1 1 1 574 1 1 42 LYS CG C 6.623 -15.415 -18.600 1.00 . A A . 42 LYS CG 1 1 1 575 1 1 42 LYS H H 10.415 -13.365 -19.040 1.00 . A A . 42 LYS H 1 1 1 576 1 1 42 LYS HA H 8.999 -15.580 -17.774 1.00 . A A . 42 LYS HA 1 1 1 577 1 1 42 LYS HB2 H 7.527 -13.465 -18.417 1.00 . A A . 42 LYS HB2 1 1 1 578 1 1 42 LYS HB3 H 7.635 -14.152 -20.025 1.00 . A A . 42 LYS HB3 1 1 1 579 1 1 42 LYS HD2 H 6.343 -14.208 -16.834 1.00 . A A . 42 LYS HD2 1 1 1 580 1 1 42 LYS HD3 H 5.091 -15.409 -17.081 1.00 . A A . 42 LYS HD3 1 1 1 581 1 1 42 LYS HE2 H 7.379 -16.986 -16.804 1.00 . A A . 42 LYS HE2 1 1 1 582 1 1 42 LYS HE3 H 7.697 -15.668 -15.693 1.00 . A A . 42 LYS HE3 1 1 1 583 1 1 42 LYS HG2 H 5.771 -15.305 -19.271 1.00 . A A . 42 LYS HG2 1 1 1 584 1 1 42 LYS HG3 H 7.011 -16.423 -18.740 1.00 . A A . 42 LYS HG3 1 1 1 585 1 1 42 LYS HZ1 H 6.194 -16.535 -14.289 1.00 . A A . 42 LYS HZ1 1 1 1 586 1 1 42 LYS HZ2 H 5.009 -16.502 -15.405 1.00 . A A . 42 LYS HZ2 1 1 1 587 1 1 42 LYS N N 9.987 -13.841 -18.272 1.00 . A A . 42 LYS N 1 1 1 588 1 1 42 LYS NZ N 5.966 -16.795 -15.242 1.00 . A A . 42 LYS NZ 1 1 1 589 1 1 42 LYS O O 10.065 -15.173 -20.825 1.00 . A A . 42 LYS O 1 1 1 590 1 1 43 LYS C C 11.659 -17.229 -21.176 1.00 . A A . 43 LYS C 1 1 1 591 1 1 43 LYS CA C 10.446 -17.911 -20.541 1.00 . A A . 43 LYS CA 1 1 1 592 1 1 43 LYS CB C 9.386 -18.349 -21.555 1.00 . A A . 43 LYS CB 1 1 1 593 1 1 43 LYS CD C 9.956 -20.558 -22.630 1.00 . A A . 43 LYS CD 1 1 1 594 1 1 43 LYS CE C 9.115 -21.657 -23.282 1.00 . A A . 43 LYS CE 1 1 1 595 1 1 43 LYS CG C 9.178 -19.864 -21.510 1.00 . A A . 43 LYS CG 1 1 1 596 1 1 43 LYS H H 9.585 -17.473 -18.696 1.00 . A A . 43 LYS H 1 1 1 597 1 1 43 LYS HA H 10.785 -18.808 -20.022 1.00 . A A . 43 LYS HA 1 1 1 598 1 1 43 LYS HB2 H 8.444 -17.842 -21.344 1.00 . A A . 43 LYS HB2 1 1 1 599 1 1 43 LYS HB3 H 9.691 -18.050 -22.557 1.00 . A A . 43 LYS HB3 1 1 1 600 1 1 43 LYS HD2 H 10.250 -19.825 -23.381 1.00 . A A . 43 LYS HD2 1 1 1 601 1 1 43 LYS HD3 H 10.874 -20.987 -22.228 1.00 . A A . 43 LYS HD3 1 1 1 602 1 1 43 LYS HE2 H 9.544 -22.633 -23.057 1.00 . A A . 43 LYS HE2 1 1 1 603 1 1 43 LYS HE3 H 8.108 -21.648 -22.867 1.00 . A A . 43 LYS HE3 1 1 1 604 1 1 43 LYS HG2 H 9.501 -20.251 -20.544 1.00 . A A . 43 LYS HG2 1 1 1 605 1 1 43 LYS HG3 H 8.116 -20.092 -21.605 1.00 . A A . 43 LYS HG3 1 1 1 606 1 1 43 LYS HZ1 H 9.473 -20.583 -25.032 1.00 . A A . 43 LYS HZ1 1 1 1 607 1 1 43 LYS HZ2 H 9.545 -22.195 -25.250 1.00 . A A . 43 LYS HZ2 1 1 1 608 1 1 43 LYS N N 9.863 -17.027 -19.546 1.00 . A A . 43 LYS N 1 1 1 609 1 1 43 LYS NZ N 9.055 -21.462 -24.748 1.00 . A A . 43 LYS NZ 1 1 1 610 1 1 43 LYS O O 11.909 -17.384 -22.370 1.00 . A A . 43 LYS O 1 1 2 611 1 1 1 GLY C C 3.613 1.312 -0.153 1.00 . A A . 1 GLY C 1 1 2 612 1 1 1 GLY CA C 2.083 1.330 -0.163 1.00 . A A . 1 GLY CA 1 1 2 613 1 1 1 GLY H1 H 0.801 1.825 1.402 1.00 . A A . 1 GLY H1 1 1 2 614 1 1 1 GLY HA2 H 1.711 0.515 -0.784 1.00 . A A . 1 GLY HA2 1 1 2 615 1 1 1 GLY HA3 H 1.729 2.259 -0.611 1.00 . A A . 1 GLY HA3 1 1 2 616 1 1 1 GLY N N 1.552 1.202 1.183 1.00 . A A . 1 GLY N 1 1 2 617 1 1 1 GLY O O 4.232 1.496 0.893 1.00 . A A . 1 GLY O 1 1 2 618 1 1 2 PHE C C 6.189 2.436 -1.761 1.00 . A A . 2 PHE C 1 1 2 619 1 1 2 PHE CA C 5.624 1.045 -1.470 1.00 . A A . 2 PHE CA 1 1 2 620 1 1 2 PHE CB C 5.931 0.125 -2.654 1.00 . A A . 2 PHE CB 1 1 2 621 1 1 2 PHE CD1 C 6.663 -1.772 -1.193 1.00 . A A . 2 PHE CD1 1 1 2 622 1 1 2 PHE CD2 C 5.330 -2.269 -3.070 1.00 . A A . 2 PHE CD2 1 1 2 623 1 1 2 PHE CE1 C 6.706 -3.151 -0.857 1.00 . A A . 2 PHE CE1 1 1 2 624 1 1 2 PHE CE2 C 5.372 -3.649 -2.734 1.00 . A A . 2 PHE CE2 1 1 2 625 1 1 2 PHE CG C 5.977 -1.361 -2.292 1.00 . A A . 2 PHE CG 1 1 2 626 1 1 2 PHE CZ C 6.059 -4.061 -1.635 1.00 . A A . 2 PHE CZ 1 1 2 627 1 1 2 PHE H H 3.667 0.942 -2.177 1.00 . A A . 2 PHE H 1 1 2 628 1 1 2 PHE HA H 6.029 0.680 -0.526 1.00 . A A . 2 PHE HA 1 1 2 629 1 1 2 PHE HB2 H 5.176 0.278 -3.425 1.00 . A A . 2 PHE HB2 1 1 2 630 1 1 2 PHE HB3 H 6.890 0.413 -3.086 1.00 . A A . 2 PHE HB3 1 1 2 631 1 1 2 PHE HD1 H 7.182 -1.043 -0.569 1.00 . A A . 2 PHE HD1 1 1 2 632 1 1 2 PHE HD2 H 4.780 -1.940 -3.951 1.00 . A A . 2 PHE HD2 1 1 2 633 1 1 2 PHE HE1 H 7.256 -3.480 0.024 1.00 . A A . 2 PHE HE1 1 1 2 634 1 1 2 PHE HE2 H 4.854 -4.377 -3.358 1.00 . A A . 2 PHE HE2 1 1 2 635 1 1 2 PHE HZ H 6.091 -5.119 -1.377 1.00 . A A . 2 PHE HZ 1 1 2 636 1 1 2 PHE N N 4.178 1.090 -1.331 1.00 . A A . 2 PHE N 1 1 2 637 1 1 2 PHE O O 7.284 2.564 -2.307 1.00 . A A . 2 PHE O 1 1 2 638 1 1 3 GLY C C 4.616 5.755 -1.640 1.00 . A A . 3 GLY C 1 1 2 639 1 1 3 GLY CA C 5.828 4.823 -1.596 1.00 . A A . 3 GLY CA 1 1 2 640 1 1 3 GLY H H 4.529 3.333 -0.939 1.00 . A A . 3 GLY H 1 1 2 641 1 1 3 GLY HA2 H 6.501 5.133 -0.797 1.00 . A A . 3 GLY HA2 1 1 2 642 1 1 3 GLY HA3 H 6.385 4.900 -2.530 1.00 . A A . 3 GLY HA3 1 1 2 643 1 1 3 GLY N N 5.418 3.445 -1.383 1.00 . A A . 3 GLY N 1 1 2 644 1 1 3 GLY O O 4.632 6.828 -1.038 1.00 . A A . 3 GLY O 1 1 2 645 1 1 4 CYS C C 1.662 6.099 -1.135 1.00 . A A . 4 CYS C 1 1 2 646 1 1 4 CYS CA C 2.376 6.094 -2.488 1.00 . A A . 4 CYS CA 1 1 2 647 1 1 4 CYS CB C 1.478 5.561 -3.606 1.00 . A A . 4 CYS CB 1 1 2 648 1 1 4 CYS H H 3.590 4.439 -2.844 1.00 . A A . 4 CYS H 1 1 2 649 1 1 4 CYS HA H 2.680 7.102 -2.768 1.00 . A A . 4 CYS HA 1 1 2 650 1 1 4 CYS HB2 H 1.794 4.546 -3.853 1.00 . A A . 4 CYS HB2 1 1 2 651 1 1 4 CYS HB3 H 0.456 5.495 -3.232 1.00 . A A . 4 CYS HB3 1 1 2 652 1 1 4 CYS N N 3.595 5.313 -2.357 1.00 . A A . 4 CYS N 1 1 2 653 1 1 4 CYS O O 1.934 5.256 -0.282 1.00 . A A . 4 CYS O 1 1 2 654 1 1 4 CYS SG S 1.479 6.565 -5.136 1.00 . A A . 4 CYS SG 1 1 2 655 1 1 5 PRO C C 1.602 9.069 -2.138 1.00 . A A . 5 PRO C 1 1 2 656 1 1 5 PRO CA C 0.475 8.041 -2.038 1.00 . A A . 5 PRO CA 1 1 2 657 1 1 5 PRO CB C -0.867 8.662 -1.683 1.00 . A A . 5 PRO CB 1 1 2 658 1 1 5 PRO CD C -0.082 7.309 0.212 1.00 . A A . 5 PRO CD 1 1 2 659 1 1 5 PRO CG C -1.084 8.372 -0.207 1.00 . A A . 5 PRO CG 1 1 2 660 1 1 5 PRO HA H 0.446 7.578 -2.924 1.00 . A A . 5 PRO HA 1 1 2 661 1 1 5 PRO HB2 H -0.862 9.736 -1.874 1.00 . A A . 5 PRO HB2 1 1 2 662 1 1 5 PRO HB3 H -1.667 8.235 -2.287 1.00 . A A . 5 PRO HB3 1 1 2 663 1 1 5 PRO HD2 H 0.525 7.646 1.051 1.00 . A A . 5 PRO HD2 1 1 2 664 1 1 5 PRO HD3 H -0.582 6.393 0.527 1.00 . A A . 5 PRO HD3 1 1 2 665 1 1 5 PRO HG2 H -0.950 9.277 0.384 1.00 . A A . 5 PRO HG2 1 1 2 666 1 1 5 PRO HG3 H -2.103 8.025 -0.032 1.00 . A A . 5 PRO HG3 1 1 2 667 1 1 5 PRO N N 0.737 7.082 -0.977 1.00 . A A . 5 PRO N 1 1 2 668 1 1 5 PRO O O 2.346 9.276 -1.181 1.00 . A A . 5 PRO O 1 1 2 669 1 1 6 GLY C C 4.090 10.038 -3.733 1.00 . A A . 6 GLY C 1 1 2 670 1 1 6 GLY CA C 2.719 10.690 -3.544 1.00 . A A . 6 GLY CA 1 1 2 671 1 1 6 GLY H H 1.085 9.513 -4.080 1.00 . A A . 6 GLY H 1 1 2 672 1 1 6 GLY HA2 H 2.464 11.271 -4.430 1.00 . A A . 6 GLY HA2 1 1 2 673 1 1 6 GLY HA3 H 2.755 11.385 -2.706 1.00 . A A . 6 GLY HA3 1 1 2 674 1 1 6 GLY N N 1.694 9.687 -3.307 1.00 . A A . 6 GLY N 1 1 2 675 1 1 6 GLY O O 5.046 10.382 -3.040 1.00 . A A . 6 GLY O 1 1 2 676 1 1 7 ASN C C 5.100 7.278 -5.962 1.00 . A A . 7 ASN C 1 1 2 677 1 1 7 ASN CA C 5.381 8.405 -4.965 1.00 . A A . 7 ASN CA 1 1 2 678 1 1 7 ASN CB C 5.968 7.780 -3.698 1.00 . A A . 7 ASN CB 1 1 2 679 1 1 7 ASN CG C 7.199 8.557 -3.224 1.00 . A A . 7 ASN CG 1 1 2 680 1 1 7 ASN H H 3.360 8.833 -5.236 1.00 . A A . 7 ASN H 1 1 2 681 1 1 7 ASN HA H 6.052 9.162 -5.370 1.00 . A A . 7 ASN HA 1 1 2 682 1 1 7 ASN HB2 H 5.215 7.769 -2.911 1.00 . A A . 7 ASN HB2 1 1 2 683 1 1 7 ASN HB3 H 6.241 6.743 -3.892 1.00 . A A . 7 ASN HB3 1 1 2 684 1 1 7 ASN HD21 H 7.602 7.044 -1.942 1.00 . A A . 7 ASN HD21 1 1 2 685 1 1 7 ASN HD22 H 8.720 8.365 -1.903 1.00 . A A . 7 ASN HD22 1 1 2 686 1 1 7 ASN N N 4.142 9.107 -4.676 1.00 . A A . 7 ASN N 1 1 2 687 1 1 7 ASN ND2 N 7.898 7.938 -2.278 1.00 . A A . 7 ASN ND2 1 1 2 688 1 1 7 ASN O O 5.053 6.108 -5.584 1.00 . A A . 7 ASN O 1 1 2 689 1 1 7 ASN OD1 O 7.493 9.647 -3.686 1.00 . A A . 7 ASN OD1 1 1 2 690 1 1 8 GLN C C 5.958 6.235 -8.909 1.00 . A A . 8 GLN C 1 1 2 691 1 1 8 GLN CA C 4.651 6.706 -8.268 1.00 . A A . 8 GLN CA 1 1 2 692 1 1 8 GLN CB C 3.708 7.296 -9.319 1.00 . A A . 8 GLN CB 1 1 2 693 1 1 8 GLN CD C 2.429 6.769 -11.428 1.00 . A A . 8 GLN CD 1 1 2 694 1 1 8 GLN CG C 3.068 6.192 -10.164 1.00 . A A . 8 GLN CG 1 1 2 695 1 1 8 GLN H H 4.965 8.623 -7.514 1.00 . A A . 8 GLN H 1 1 2 696 1 1 8 GLN HA H 4.158 5.869 -7.774 1.00 . A A . 8 GLN HA 1 1 2 697 1 1 8 GLN HB2 H 2.929 7.879 -8.827 1.00 . A A . 8 GLN HB2 1 1 2 698 1 1 8 GLN HB3 H 4.258 7.980 -9.964 1.00 . A A . 8 GLN HB3 1 1 2 699 1 1 8 GLN HE21 H 0.682 5.904 -10.882 1.00 . A A . 8 GLN HE21 1 1 2 700 1 1 8 GLN HE22 H 0.635 6.795 -12.366 1.00 . A A . 8 GLN HE22 1 1 2 701 1 1 8 GLN HG2 H 3.824 5.455 -10.438 1.00 . A A . 8 GLN HG2 1 1 2 702 1 1 8 GLN HG3 H 2.314 5.669 -9.576 1.00 . A A . 8 GLN HG3 1 1 2 703 1 1 8 GLN N N 4.924 7.668 -7.215 1.00 . A A . 8 GLN N 1 1 2 704 1 1 8 GLN NE2 N 1.143 6.464 -11.571 1.00 . A A . 8 GLN NE2 1 1 2 705 1 1 8 GLN O O 5.987 5.207 -9.585 1.00 . A A . 8 GLN O 1 1 2 706 1 1 8 GLN OE1 O 3.062 7.446 -12.221 1.00 . A A . 8 GLN OE1 1 1 2 707 1 1 9 LEU C C 8.993 5.645 -8.321 1.00 . A A . 9 LEU C 1 1 2 708 1 1 9 LEU CA C 8.315 6.682 -9.219 1.00 . A A . 9 LEU CA 1 1 2 709 1 1 9 LEU CB C 9.141 7.953 -9.423 1.00 . A A . 9 LEU CB 1 1 2 710 1 1 9 LEU CD1 C 11.253 8.960 -8.481 1.00 . A A . 9 LEU CD1 1 1 2 711 1 1 9 LEU CD2 C 8.990 9.655 -7.568 1.00 . A A . 9 LEU CD2 1 1 2 712 1 1 9 LEU CG C 9.820 8.521 -8.175 1.00 . A A . 9 LEU CG 1 1 2 713 1 1 9 LEU H H 6.976 7.842 -8.123 1.00 . A A . 9 LEU H 1 1 2 714 1 1 9 LEU HA H 8.158 6.238 -10.201 1.00 . A A . 9 LEU HA 1 1 2 715 1 1 9 LEU HB2 H 9.910 7.746 -10.168 1.00 . A A . 9 LEU HB2 1 1 2 716 1 1 9 LEU HB3 H 8.492 8.722 -9.841 1.00 . A A . 9 LEU HB3 1 1 2 717 1 1 9 LEU HD11 H 11.647 8.364 -9.305 1.00 . A A . 9 LEU HD11 1 1 2 718 1 1 9 LEU HD12 H 11.259 10.013 -8.757 1.00 . A A . 9 LEU HD12 1 1 2 719 1 1 9 LEU HD13 H 11.875 8.813 -7.596 1.00 . A A . 9 LEU HD13 1 1 2 720 1 1 9 LEU HD21 H 8.406 9.270 -6.733 1.00 . A A . 9 LEU HD21 1 1 2 721 1 1 9 LEU HD22 H 9.656 10.442 -7.214 1.00 . A A . 9 LEU HD22 1 1 2 722 1 1 9 LEU HD23 H 8.319 10.060 -8.326 1.00 . A A . 9 LEU HD23 1 1 2 723 1 1 9 LEU HG H 9.878 7.730 -7.428 1.00 . A A . 9 LEU HG 1 1 2 724 1 1 9 LEU N N 7.009 7.008 -8.673 1.00 . A A . 9 LEU N 1 1 2 725 1 1 9 LEU O O 9.877 4.916 -8.767 1.00 . A A . 9 LEU O 1 1 2 726 1 1 10 LYS C C 8.582 3.271 -6.408 1.00 . A A . 10 LYS C 1 1 2 727 1 1 10 LYS CA C 9.106 4.677 -6.108 1.00 . A A . 10 LYS CA 1 1 2 728 1 1 10 LYS CB C 8.820 5.147 -4.680 1.00 . A A . 10 LYS CB 1 1 2 729 1 1 10 LYS CD C 9.814 4.660 -2.414 1.00 . A A . 10 LYS CD 1 1 2 730 1 1 10 LYS CE C 11.115 4.409 -1.650 1.00 . A A . 10 LYS CE 1 1 2 731 1 1 10 LYS CG C 10.097 5.146 -3.836 1.00 . A A . 10 LYS CG 1 1 2 732 1 1 10 LYS H H 7.833 6.208 -6.717 1.00 . A A . 10 LYS H 1 1 2 733 1 1 10 LYS HA H 10.189 4.677 -6.237 1.00 . A A . 10 LYS HA 1 1 2 734 1 1 10 LYS HB2 H 8.396 6.151 -4.701 1.00 . A A . 10 LYS HB2 1 1 2 735 1 1 10 LYS HB3 H 8.076 4.497 -4.221 1.00 . A A . 10 LYS HB3 1 1 2 736 1 1 10 LYS HD2 H 9.214 5.401 -1.884 1.00 . A A . 10 LYS HD2 1 1 2 737 1 1 10 LYS HD3 H 9.227 3.742 -2.449 1.00 . A A . 10 LYS HD3 1 1 2 738 1 1 10 LYS HE2 H 10.924 3.763 -0.793 1.00 . A A . 10 LYS HE2 1 1 2 739 1 1 10 LYS HE3 H 11.826 3.886 -2.290 1.00 . A A . 10 LYS HE3 1 1 2 740 1 1 10 LYS HG2 H 10.844 4.503 -4.302 1.00 . A A . 10 LYS HG2 1 1 2 741 1 1 10 LYS HG3 H 10.517 6.151 -3.804 1.00 . A A . 10 LYS HG3 1 1 2 742 1 1 10 LYS HZ1 H 11.658 6.405 -1.908 1.00 . A A . 10 LYS HZ1 1 1 2 743 1 1 10 LYS HZ2 H 11.220 6.058 -0.379 1.00 . A A . 10 LYS HZ2 1 1 2 744 1 1 10 LYS N N 8.553 5.613 -7.072 1.00 . A A . 10 LYS N 1 1 2 745 1 1 10 LYS NZ N 11.701 5.689 -1.192 1.00 . A A . 10 LYS NZ 1 1 2 746 1 1 10 LYS O O 9.232 2.279 -6.081 1.00 . A A . 10 LYS O 1 1 2 747 1 1 11 CYS C C 7.488 1.417 -8.627 1.00 . A A . 11 CYS C 1 1 2 748 1 1 11 CYS CA C 6.793 1.964 -7.377 1.00 . A A . 11 CYS CA 1 1 2 749 1 1 11 CYS CB C 5.284 2.107 -7.582 1.00 . A A . 11 CYS CB 1 1 2 750 1 1 11 CYS H H 6.890 4.042 -7.291 1.00 . A A . 11 CYS H 1 1 2 751 1 1 11 CYS HA H 6.944 1.297 -6.528 1.00 . A A . 11 CYS HA 1 1 2 752 1 1 11 CYS HB2 H 5.108 2.689 -8.486 1.00 . A A . 11 CYS HB2 1 1 2 753 1 1 11 CYS HB3 H 4.857 1.119 -7.750 1.00 . A A . 11 CYS HB3 1 1 2 754 1 1 11 CYS N N 7.412 3.231 -7.028 1.00 . A A . 11 CYS N 1 1 2 755 1 1 11 CYS O O 7.615 0.204 -8.790 1.00 . A A . 11 CYS O 1 1 2 756 1 1 11 CYS SG S 4.394 2.900 -6.192 1.00 . A A . 11 CYS SG 1 1 2 757 1 1 12 ASN C C 10.051 1.601 -10.389 1.00 . A A . 12 ASN C 1 1 2 758 1 1 12 ASN CA C 8.599 1.963 -10.704 1.00 . A A . 12 ASN CA 1 1 2 759 1 1 12 ASN CB C 8.607 3.122 -11.704 1.00 . A A . 12 ASN CB 1 1 2 760 1 1 12 ASN CG C 9.722 2.948 -12.735 1.00 . A A . 12 ASN CG 1 1 2 761 1 1 12 ASN H H 7.812 3.322 -9.335 1.00 . A A . 12 ASN H 1 1 2 762 1 1 12 ASN HA H 8.034 1.119 -11.098 1.00 . A A . 12 ASN HA 1 1 2 763 1 1 12 ASN HB2 H 7.643 3.177 -12.210 1.00 . A A . 12 ASN HB2 1 1 2 764 1 1 12 ASN HB3 H 8.742 4.065 -11.172 1.00 . A A . 12 ASN HB3 1 1 2 765 1 1 12 ASN HD21 H 9.219 0.992 -12.880 1.00 . A A . 12 ASN HD21 1 1 2 766 1 1 12 ASN HD22 H 10.537 1.495 -13.887 1.00 . A A . 12 ASN HD22 1 1 2 767 1 1 12 ASN N N 7.920 2.339 -9.475 1.00 . A A . 12 ASN N 1 1 2 768 1 1 12 ASN ND2 N 9.836 1.709 -13.206 1.00 . A A . 12 ASN ND2 1 1 2 769 1 1 12 ASN O O 10.640 0.750 -11.055 1.00 . A A . 12 ASN O 1 1 2 770 1 1 12 ASN OD1 O 10.433 3.877 -13.082 1.00 . A A . 12 ASN OD1 1 1 2 771 1 1 13 ASN C C 12.024 0.722 -8.158 1.00 . A A . 13 ASN C 1 1 2 772 1 1 13 ASN CA C 11.959 2.021 -8.963 1.00 . A A . 13 ASN CA 1 1 2 773 1 1 13 ASN CB C 12.476 3.155 -8.075 1.00 . A A . 13 ASN CB 1 1 2 774 1 1 13 ASN CG C 12.476 4.485 -8.828 1.00 . A A . 13 ASN CG 1 1 2 775 1 1 13 ASN H H 10.100 2.953 -8.839 1.00 . A A . 13 ASN H 1 1 2 776 1 1 13 ASN HA H 12.530 1.967 -9.890 1.00 . A A . 13 ASN HA 1 1 2 777 1 1 13 ASN HB2 H 11.852 3.237 -7.185 1.00 . A A . 13 ASN HB2 1 1 2 778 1 1 13 ASN HB3 H 13.486 2.924 -7.735 1.00 . A A . 13 ASN HB3 1 1 2 779 1 1 13 ASN HD21 H 12.140 5.428 -7.069 1.00 . A A . 13 ASN HD21 1 1 2 780 1 1 13 ASN HD22 H 12.258 6.463 -8.453 1.00 . A A . 13 ASN HD22 1 1 2 781 1 1 13 ASN N N 10.586 2.264 -9.375 1.00 . A A . 13 ASN N 1 1 2 782 1 1 13 ASN ND2 N 12.275 5.547 -8.053 1.00 . A A . 13 ASN ND2 1 1 2 783 1 1 13 ASN O O 13.040 0.029 -8.171 1.00 . A A . 13 ASN O 1 1 2 784 1 1 13 ASN OD1 O 12.648 4.546 -10.035 1.00 . A A . 13 ASN OD1 1 1 2 785 1 1 14 HIS C C 10.513 -1.970 -7.559 1.00 . A A . 14 HIS C 1 1 2 786 1 1 14 HIS CA C 10.845 -0.773 -6.666 1.00 . A A . 14 HIS CA 1 1 2 787 1 1 14 HIS CB C 9.847 -0.591 -5.520 1.00 . A A . 14 HIS CB 1 1 2 788 1 1 14 HIS CD2 C 8.050 -2.486 -5.404 1.00 . A A . 14 HIS CD2 1 1 2 789 1 1 14 HIS CE1 C 9.012 -3.735 -3.887 1.00 . A A . 14 HIS CE1 1 1 2 790 1 1 14 HIS CG C 9.217 -1.879 -5.045 1.00 . A A . 14 HIS CG 1 1 2 791 1 1 14 HIS H H 10.104 1.000 -7.470 1.00 . A A . 14 HIS H 1 1 2 792 1 1 14 HIS HA H 11.832 -0.921 -6.227 1.00 . A A . 14 HIS HA 1 1 2 793 1 1 14 HIS HB2 H 10.355 -0.116 -4.682 1.00 . A A . 14 HIS HB2 1 1 2 794 1 1 14 HIS HB3 H 9.060 0.089 -5.843 1.00 . A A . 14 HIS HB3 1 1 2 795 1 1 14 HIS HD1 H 10.671 -2.516 -3.625 1.00 . A A . 14 HIS HD1 1 1 2 796 1 1 14 HIS HD2 H 7.338 -2.113 -6.140 1.00 . A A . 14 HIS HD2 1 1 2 797 1 1 14 HIS HE1 H 9.197 -4.554 -3.192 1.00 . A A . 14 HIS HE1 1 1 2 798 1 1 14 HIS N N 10.926 0.431 -7.476 1.00 . A A . 14 HIS N 1 1 2 799 1 1 14 HIS ND1 N 9.801 -2.690 -4.087 1.00 . A A . 14 HIS ND1 1 1 2 800 1 1 14 HIS NE2 N 7.928 -3.608 -4.704 1.00 . A A . 14 HIS NE2 1 1 2 801 1 1 14 HIS O O 10.951 -3.088 -7.292 1.00 . A A . 14 HIS O 1 1 2 802 1 1 15 CYS C C 10.535 -3.047 -10.441 1.00 . A A . 15 CYS C 1 1 2 803 1 1 15 CYS CA C 9.343 -2.736 -9.533 1.00 . A A . 15 CYS CA 1 1 2 804 1 1 15 CYS CB C 8.104 -2.333 -10.335 1.00 . A A . 15 CYS CB 1 1 2 805 1 1 15 CYS H H 9.388 -0.783 -8.809 1.00 . A A . 15 CYS H 1 1 2 806 1 1 15 CYS HA H 9.075 -3.607 -8.934 1.00 . A A . 15 CYS HA 1 1 2 807 1 1 15 CYS HB2 H 8.279 -1.353 -10.778 1.00 . A A . 15 CYS HB2 1 1 2 808 1 1 15 CYS HB3 H 7.978 -3.037 -11.158 1.00 . A A . 15 CYS HB3 1 1 2 809 1 1 15 CYS N N 9.740 -1.695 -8.600 1.00 . A A . 15 CYS N 1 1 2 810 1 1 15 CYS O O 10.720 -4.189 -10.858 1.00 . A A . 15 CYS O 1 1 2 811 1 1 15 CYS SG S 6.551 -2.274 -9.370 1.00 . A A . 15 CYS SG 1 1 2 812 1 1 16 LYS C C 13.638 -2.726 -10.744 1.00 . A A . 16 LYS C 1 1 2 813 1 1 16 LYS CA C 12.482 -2.159 -11.569 1.00 . A A . 16 LYS CA 1 1 2 814 1 1 16 LYS CB C 12.811 -0.835 -12.262 1.00 . A A . 16 LYS CB 1 1 2 815 1 1 16 LYS CD C 14.976 -0.258 -11.106 1.00 . A A . 16 LYS CD 1 1 2 816 1 1 16 LYS CE C 15.905 0.873 -11.552 1.00 . A A . 16 LYS CE 1 1 2 817 1 1 16 LYS CG C 13.509 0.128 -11.300 1.00 . A A . 16 LYS CG 1 1 2 818 1 1 16 LYS H H 11.155 -1.085 -10.375 1.00 . A A . 16 LYS H 1 1 2 819 1 1 16 LYS HA H 12.229 -2.877 -12.350 1.00 . A A . 16 LYS HA 1 1 2 820 1 1 16 LYS HB2 H 13.451 -1.021 -13.124 1.00 . A A . 16 LYS HB2 1 1 2 821 1 1 16 LYS HB3 H 11.895 -0.380 -12.639 1.00 . A A . 16 LYS HB3 1 1 2 822 1 1 16 LYS HD2 H 15.159 -0.490 -10.056 1.00 . A A . 16 LYS HD2 1 1 2 823 1 1 16 LYS HD3 H 15.197 -1.160 -11.674 1.00 . A A . 16 LYS HD3 1 1 2 824 1 1 16 LYS HE2 H 16.396 0.601 -12.486 1.00 . A A . 16 LYS HE2 1 1 2 825 1 1 16 LYS HE3 H 15.322 1.774 -11.749 1.00 . A A . 16 LYS HE3 1 1 2 826 1 1 16 LYS HG2 H 13.445 1.145 -11.688 1.00 . A A . 16 LYS HG2 1 1 2 827 1 1 16 LYS HG3 H 12.997 0.122 -10.338 1.00 . A A . 16 LYS HG3 1 1 2 828 1 1 16 LYS HZ1 H 17.603 1.835 -10.821 1.00 . A A . 16 LYS HZ1 1 1 2 829 1 1 16 LYS HZ2 H 16.505 1.514 -9.662 1.00 . A A . 16 LYS HZ2 1 1 2 830 1 1 16 LYS N N 11.312 -2.010 -10.718 1.00 . A A . 16 LYS N 1 1 2 831 1 1 16 LYS NZ N 16.921 1.151 -10.512 1.00 . A A . 16 LYS NZ 1 1 2 832 1 1 16 LYS O O 14.517 -3.398 -11.281 1.00 . A A . 16 LYS O 1 1 2 833 1 1 17 SER C C 14.411 -4.385 -8.223 1.00 . A A . 17 SER C 1 1 2 834 1 1 17 SER CA C 14.635 -2.907 -8.548 1.00 . A A . 17 SER CA 1 1 2 835 1 1 17 SER CB C 14.662 -2.080 -7.262 1.00 . A A . 17 SER CB 1 1 2 836 1 1 17 SER H H 12.882 -1.887 -9.024 1.00 . A A . 17 SER H 1 1 2 837 1 1 17 SER HA H 15.573 -2.772 -9.086 1.00 . A A . 17 SER HA 1 1 2 838 1 1 17 SER HB2 H 14.909 -1.045 -7.500 1.00 . A A . 17 SER HB2 1 1 2 839 1 1 17 SER HB3 H 13.669 -2.075 -6.812 1.00 . A A . 17 SER HB3 1 1 2 840 1 1 17 SER HG H 15.493 -3.575 -6.223 1.00 . A A . 17 SER HG 1 1 2 841 1 1 17 SER N N 13.600 -2.434 -9.452 1.00 . A A . 17 SER N 1 1 2 842 1 1 17 SER O O 15.368 -5.140 -8.057 1.00 . A A . 17 SER O 1 1 2 843 1 1 17 SER OG O 15.604 -2.586 -6.320 1.00 . A A . 17 SER OG 1 1 2 844 1 1 18 ILE C C 12.988 -6.992 -9.088 1.00 . A A . 18 ILE C 1 1 2 845 1 1 18 ILE CA C 12.779 -6.130 -7.842 1.00 . A A . 18 ILE CA 1 1 2 846 1 1 18 ILE CB C 11.359 -6.198 -7.278 1.00 . A A . 18 ILE CB 1 1 2 847 1 1 18 ILE CD1 C 8.926 -5.719 -7.738 1.00 . A A . 18 ILE CD1 1 1 2 848 1 1 18 ILE CG1 C 10.326 -5.831 -8.344 1.00 . A A . 18 ILE CG1 1 1 2 849 1 1 18 ILE CG2 C 11.224 -5.329 -6.026 1.00 . A A . 18 ILE CG2 1 1 2 850 1 1 18 ILE H H 12.368 -4.135 -8.281 1.00 . A A . 18 ILE H 1 1 2 851 1 1 18 ILE HA H 13.454 -6.481 -7.061 1.00 . A A . 18 ILE HA 1 1 2 852 1 1 18 ILE HB H 11.159 -7.227 -6.977 1.00 . A A . 18 ILE HB 1 1 2 853 1 1 18 ILE HD11 H 8.179 -5.910 -8.509 1.00 . A A . 18 ILE HD11 1 1 2 854 1 1 18 ILE HD12 H 8.818 -6.450 -6.937 1.00 . A A . 18 ILE HD12 1 1 2 855 1 1 18 ILE HD13 H 8.783 -4.715 -7.335 1.00 . A A . 18 ILE HD13 1 1 2 856 1 1 18 ILE HG12 H 10.601 -4.884 -8.811 1.00 . A A . 18 ILE HG12 1 1 2 857 1 1 18 ILE HG13 H 10.327 -6.585 -9.131 1.00 . A A . 18 ILE HG13 1 1 2 858 1 1 18 ILE HG21 H 11.227 -5.964 -5.140 1.00 . A A . 18 ILE HG21 1 1 2 859 1 1 18 ILE HG22 H 12.060 -4.631 -5.976 1.00 . A A . 18 ILE HG22 1 1 2 860 1 1 18 ILE HG23 H 10.288 -4.772 -6.070 1.00 . A A . 18 ILE HG23 1 1 2 861 1 1 18 ILE N N 13.141 -4.754 -8.143 1.00 . A A . 18 ILE N 1 1 2 862 1 1 18 ILE O O 13.712 -7.986 -9.045 1.00 . A A . 18 ILE O 1 1 2 863 1 1 19 SER C C 11.149 -7.160 -12.222 1.00 . A A . 19 SER C 1 1 2 864 1 1 19 SER CA C 12.446 -7.305 -11.425 1.00 . A A . 19 SER CA 1 1 2 865 1 1 19 SER CB C 12.759 -8.782 -11.184 1.00 . A A . 19 SER CB 1 1 2 866 1 1 19 SER H H 11.753 -5.773 -10.195 1.00 . A A . 19 SER H 1 1 2 867 1 1 19 SER HA H 13.276 -6.840 -11.956 1.00 . A A . 19 SER HA 1 1 2 868 1 1 19 SER HB2 H 13.833 -8.908 -11.042 1.00 . A A . 19 SER HB2 1 1 2 869 1 1 19 SER HB3 H 12.275 -9.111 -10.264 1.00 . A A . 19 SER HB3 1 1 2 870 1 1 19 SER HG H 11.891 -10.432 -11.914 1.00 . A A . 19 SER HG 1 1 2 871 1 1 19 SER N N 12.341 -6.582 -10.168 1.00 . A A . 19 SER N 1 1 2 872 1 1 19 SER O O 10.435 -8.138 -12.437 1.00 . A A . 19 SER O 1 1 2 873 1 1 19 SER OG O 12.325 -9.603 -12.266 1.00 . A A . 19 SER OG 1 1 2 874 1 1 20 CYS C C 9.946 -4.402 -14.263 1.00 . A A . 20 CYS C 1 1 2 875 1 1 20 CYS CA C 9.684 -5.646 -13.410 1.00 . A A . 20 CYS CA 1 1 2 876 1 1 20 CYS CB C 8.460 -5.472 -12.509 1.00 . A A . 20 CYS CB 1 1 2 877 1 1 20 CYS H H 11.469 -5.140 -12.462 1.00 . A A . 20 CYS H 1 1 2 878 1 1 20 CYS HA H 9.502 -6.516 -14.041 1.00 . A A . 20 CYS HA 1 1 2 879 1 1 20 CYS HB2 H 8.800 -5.216 -11.504 1.00 . A A . 20 CYS HB2 1 1 2 880 1 1 20 CYS HB3 H 7.875 -4.627 -12.872 1.00 . A A . 20 CYS HB3 1 1 2 881 1 1 20 CYS N N 10.883 -5.931 -12.641 1.00 . A A . 20 CYS N 1 1 2 882 1 1 20 CYS O O 11.056 -3.875 -14.274 1.00 . A A . 20 CYS O 1 1 2 883 1 1 20 CYS SG S 7.371 -6.938 -12.402 1.00 . A A . 20 CYS SG 1 1 2 884 1 1 21 ARG C C 8.688 -1.531 -15.013 1.00 . A A . 21 ARG C 1 1 2 885 1 1 21 ARG CA C 9.005 -2.799 -15.810 1.00 . A A . 21 ARG CA 1 1 2 886 1 1 21 ARG CB C 8.047 -2.899 -16.999 1.00 . A A . 21 ARG CB 1 1 2 887 1 1 21 ARG CD C 9.490 -2.334 -18.990 1.00 . A A . 21 ARG CD 1 1 2 888 1 1 21 ARG CG C 8.763 -3.449 -18.235 1.00 . A A . 21 ARG CG 1 1 2 889 1 1 21 ARG CZ C 10.843 -2.286 -21.093 1.00 . A A . 21 ARG CZ 1 1 2 890 1 1 21 ARG H H 8.002 -4.405 -14.942 1.00 . A A . 21 ARG H 1 1 2 891 1 1 21 ARG HA H 10.039 -2.796 -16.157 1.00 . A A . 21 ARG HA 1 1 2 892 1 1 21 ARG HB2 H 7.208 -3.545 -16.742 1.00 . A A . 21 ARG HB2 1 1 2 893 1 1 21 ARG HB3 H 7.636 -1.914 -17.223 1.00 . A A . 21 ARG HB3 1 1 2 894 1 1 21 ARG HD2 H 8.863 -1.445 -19.035 1.00 . A A . 21 ARG HD2 1 1 2 895 1 1 21 ARG HD3 H 10.399 -2.057 -18.456 1.00 . A A . 21 ARG HD3 1 1 2 896 1 1 21 ARG HE H 9.264 -3.506 -20.765 1.00 . A A . 21 ARG HE 1 1 2 897 1 1 21 ARG HG2 H 9.476 -4.216 -17.934 1.00 . A A . 21 ARG HG2 1 1 2 898 1 1 21 ARG HG3 H 8.039 -3.927 -18.895 1.00 . A A . 21 ARG HG3 1 1 2 899 1 1 21 ARG HH11 H 11.469 -0.956 -19.674 1.00 . A A . 21 ARG HH11 1 1 2 900 1 1 21 ARG HH12 H 12.385 -0.948 -21.143 1.00 . A A . 21 ARG HH12 1 1 2 901 1 1 21 ARG HH21 H 11.783 -2.449 -22.911 1.00 . A A . 21 ARG HH21 1 1 2 902 1 1 21 ARG N N 8.903 -3.971 -14.957 1.00 . A A . 21 ARG N 1 1 2 903 1 1 21 ARG NE N 9.826 -2.786 -20.359 1.00 . A A . 21 ARG NE 1 1 2 904 1 1 21 ARG NH1 N 11.634 -1.313 -20.593 1.00 . A A . 21 ARG NH1 1 1 2 905 1 1 21 ARG NH2 N 11.053 -2.763 -22.306 1.00 . A A . 21 ARG NH2 1 1 2 906 1 1 21 ARG O O 9.543 -0.661 -14.859 1.00 . A A . 21 ARG O 1 1 2 907 1 1 22 ALA C C 5.615 -0.593 -13.201 1.00 . A A . 22 ALA C 1 1 2 908 1 1 22 ALA CA C 7.017 -0.322 -13.752 1.00 . A A . 22 ALA CA 1 1 2 909 1 1 22 ALA CB C 7.069 0.935 -14.621 1.00 . A A . 22 ALA CB 1 1 2 910 1 1 22 ALA H H 6.767 -2.181 -14.659 1.00 . A A . 22 ALA H 1 1 2 911 1 1 22 ALA HA H 7.708 -0.202 -12.917 1.00 . A A . 22 ALA HA 1 1 2 912 1 1 22 ALA HB1 H 6.400 0.816 -15.473 1.00 . A A . 22 ALA HB1 1 1 2 913 1 1 22 ALA HB2 H 6.758 1.798 -14.032 1.00 . A A . 22 ALA HB2 1 1 2 914 1 1 22 ALA HB3 H 8.088 1.087 -14.978 1.00 . A A . 22 ALA HB3 1 1 2 915 1 1 22 ALA N N 7.457 -1.469 -14.528 1.00 . A A . 22 ALA N 1 1 2 916 1 1 22 ALA O O 4.812 -1.268 -13.844 1.00 . A A . 22 ALA O 1 1 2 917 1 1 23 GLY C C 3.359 1.116 -11.205 1.00 . A A . 23 GLY C 1 1 2 918 1 1 23 GLY CA C 4.072 -0.227 -11.374 1.00 . A A . 23 GLY CA 1 1 2 919 1 1 23 GLY H H 6.022 0.496 -11.502 1.00 . A A . 23 GLY H 1 1 2 920 1 1 23 GLY HA2 H 3.453 -0.899 -11.970 1.00 . A A . 23 GLY HA2 1 1 2 921 1 1 23 GLY HA3 H 4.208 -0.696 -10.401 1.00 . A A . 23 GLY HA3 1 1 2 922 1 1 23 GLY N N 5.363 -0.052 -12.019 1.00 . A A . 23 GLY N 1 1 2 923 1 1 23 GLY O O 3.891 2.159 -11.580 1.00 . A A . 23 GLY O 1 1 2 924 1 1 24 TYR C C 0.573 2.137 -9.112 1.00 . A A . 24 TYR C 1 1 2 925 1 1 24 TYR CA C 1.371 2.244 -10.413 1.00 . A A . 24 TYR CA 1 1 2 926 1 1 24 TYR CB C 0.396 2.332 -11.589 1.00 . A A . 24 TYR CB 1 1 2 927 1 1 24 TYR CD1 C -1.590 1.063 -10.694 1.00 . A A . 24 TYR CD1 1 1 2 928 1 1 24 TYR CD2 C -0.525 0.251 -12.674 1.00 . A A . 24 TYR CD2 1 1 2 929 1 1 24 TYR CE1 C -2.533 -0.023 -10.757 1.00 . A A . 24 TYR CE1 1 1 2 930 1 1 24 TYR CE2 C -1.468 -0.836 -12.736 1.00 . A A . 24 TYR CE2 1 1 2 931 1 1 24 TYR CG C -0.606 1.178 -11.654 1.00 . A A . 24 TYR CG 1 1 2 932 1 1 24 TYR CZ C -2.425 -0.919 -11.774 1.00 . A A . 24 TYR CZ 1 1 2 933 1 1 24 TYR H H 1.736 0.194 -10.335 1.00 . A A . 24 TYR H 1 1 2 934 1 1 24 TYR HA H 2.053 3.090 -10.343 1.00 . A A . 24 TYR HA 1 1 2 935 1 1 24 TYR HB2 H -0.151 3.272 -11.524 1.00 . A A . 24 TYR HB2 1 1 2 936 1 1 24 TYR HB3 H 0.965 2.359 -12.518 1.00 . A A . 24 TYR HB3 1 1 2 937 1 1 24 TYR HD1 H -1.654 1.795 -9.890 1.00 . A A . 24 TYR HD1 1 1 2 938 1 1 24 TYR HD2 H 0.253 0.341 -13.433 1.00 . A A . 24 TYR HD2 1 1 2 939 1 1 24 TYR HE1 H -3.316 -0.125 -10.004 1.00 . A A . 24 TYR HE1 1 1 2 940 1 1 24 TYR HE2 H -1.415 -1.575 -13.535 1.00 . A A . 24 TYR HE2 1 1 2 941 1 1 24 TYR HH H -2.947 -2.687 -12.392 1.00 . A A . 24 TYR HH 1 1 2 942 1 1 24 TYR N N 2.163 1.046 -10.638 1.00 . A A . 24 TYR N 1 1 2 943 1 1 24 TYR O O 0.382 1.042 -8.585 1.00 . A A . 24 TYR O 1 1 2 944 1 1 24 TYR OH O -3.316 -1.946 -11.832 1.00 . A A . 24 TYR OH 1 1 2 945 1 1 25 CYS C C -2.111 3.071 -7.745 1.00 . A A . 25 CYS C 1 1 2 946 1 1 25 CYS CA C -0.644 3.338 -7.401 1.00 . A A . 25 CYS CA 1 1 2 947 1 1 25 CYS CB C -0.463 4.672 -6.673 1.00 . A A . 25 CYS CB 1 1 2 948 1 1 25 CYS H H 0.290 4.175 -9.065 1.00 . A A . 25 CYS H 1 1 2 949 1 1 25 CYS HA H -0.249 2.558 -6.752 1.00 . A A . 25 CYS HA 1 1 2 950 1 1 25 CYS HB2 H -1.007 5.444 -7.217 1.00 . A A . 25 CYS HB2 1 1 2 951 1 1 25 CYS HB3 H -0.919 4.595 -5.685 1.00 . A A . 25 CYS HB3 1 1 2 952 1 1 25 CYS N N 0.129 3.289 -8.631 1.00 . A A . 25 CYS N 1 1 2 953 1 1 25 CYS O O -2.739 3.854 -8.455 1.00 . A A . 25 CYS O 1 1 2 954 1 1 25 CYS SG S 1.275 5.209 -6.476 1.00 . A A . 25 CYS SG 1 1 2 955 1 1 26 ASP C C -4.872 2.833 -7.469 1.00 . A A . 26 ASP C 1 1 2 956 1 1 26 ASP CA C -3.994 1.579 -7.467 1.00 . A A . 26 ASP CA 1 1 2 957 1 1 26 ASP CB C -4.508 0.644 -6.371 1.00 . A A . 26 ASP CB 1 1 2 958 1 1 26 ASP CG C -5.093 -0.679 -6.871 1.00 . A A . 26 ASP CG 1 1 2 959 1 1 26 ASP H H -2.096 1.329 -6.648 1.00 . A A . 26 ASP H 1 1 2 960 1 1 26 ASP HA H -3.987 1.075 -8.433 1.00 . A A . 26 ASP HA 1 1 2 961 1 1 26 ASP HB2 H -3.688 0.426 -5.686 1.00 . A A . 26 ASP HB2 1 1 2 962 1 1 26 ASP HB3 H -5.273 1.168 -5.796 1.00 . A A . 26 ASP HB3 1 1 2 963 1 1 26 ASP HD2 H -5.584 -1.215 -5.134 1.00 . A A . 26 ASP HD2 1 1 2 964 1 1 26 ASP N N -2.614 1.961 -7.224 1.00 . A A . 26 ASP N 1 1 2 965 1 1 26 ASP O O -5.229 3.347 -6.410 1.00 . A A . 26 ASP O 1 1 2 966 1 1 26 ASP OD1 O -4.761 -1.148 -7.970 1.00 . A A . 26 ASP OD1 1 1 2 967 1 1 26 ASP OD2 O -5.934 -1.240 -6.071 1.00 . A A . 26 ASP OD2 1 1 2 968 1 1 27 ALA C C -7.452 4.151 -8.377 1.00 . A A . 27 ALA C 1 1 2 969 1 1 27 ALA CA C -6.024 4.472 -8.824 1.00 . A A . 27 ALA CA 1 1 2 970 1 1 27 ALA CB C -5.962 4.955 -10.274 1.00 . A A . 27 ALA CB 1 1 2 971 1 1 27 ALA H H -4.900 2.865 -9.526 1.00 . A A . 27 ALA H 1 1 2 972 1 1 27 ALA HA H -5.617 5.249 -8.177 1.00 . A A . 27 ALA HA 1 1 2 973 1 1 27 ALA HB1 H -5.887 4.095 -10.941 1.00 . A A . 27 ALA HB1 1 1 2 974 1 1 27 ALA HB2 H -6.864 5.518 -10.509 1.00 . A A . 27 ALA HB2 1 1 2 975 1 1 27 ALA HB3 H -5.089 5.595 -10.407 1.00 . A A . 27 ALA HB3 1 1 2 976 1 1 27 ALA N N -5.195 3.289 -8.670 1.00 . A A . 27 ALA N 1 1 2 977 1 1 27 ALA O O -8.303 5.036 -8.321 1.00 . A A . 27 ALA O 1 1 2 978 1 1 28 ALA C C -8.971 2.257 -6.111 1.00 . A A . 28 ALA C 1 1 2 979 1 1 28 ALA CA C -8.980 2.431 -7.631 1.00 . A A . 28 ALA CA 1 1 2 980 1 1 28 ALA CB C -9.349 1.138 -8.363 1.00 . A A . 28 ALA CB 1 1 2 981 1 1 28 ALA H H -6.972 2.165 -8.119 1.00 . A A . 28 ALA H 1 1 2 982 1 1 28 ALA HA H -9.702 3.203 -7.897 1.00 . A A . 28 ALA HA 1 1 2 983 1 1 28 ALA HB1 H -10.426 1.105 -8.520 1.00 . A A . 28 ALA HB1 1 1 2 984 1 1 28 ALA HB2 H -8.841 1.109 -9.327 1.00 . A A . 28 ALA HB2 1 1 2 985 1 1 28 ALA HB3 H -9.042 0.281 -7.764 1.00 . A A . 28 ALA HB3 1 1 2 986 1 1 28 ALA N N -7.670 2.880 -8.071 1.00 . A A . 28 ALA N 1 1 2 987 1 1 28 ALA O O -9.977 1.866 -5.522 1.00 . A A . 28 ALA O 1 1 2 988 1 1 29 THR C C -7.175 3.762 -3.487 1.00 . A A . 29 THR C 1 1 2 989 1 1 29 THR CA C -7.672 2.441 -4.079 1.00 . A A . 29 THR CA 1 1 2 990 1 1 29 THR CB C -6.740 1.261 -3.797 1.00 . A A . 29 THR CB 1 1 2 991 1 1 29 THR CG2 C -5.314 1.707 -3.467 1.00 . A A . 29 THR CG2 1 1 2 992 1 1 29 THR H H -7.011 2.878 -6.006 1.00 . A A . 29 THR H 1 1 2 993 1 1 29 THR HA H -8.651 2.244 -3.645 1.00 . A A . 29 THR HA 1 1 2 994 1 1 29 THR HB H -6.746 0.554 -4.627 1.00 . A A . 29 THR HB 1 1 2 995 1 1 29 THR HG1 H -7.397 -0.259 -2.676 1.00 . A A . 29 THR HG1 1 1 2 996 1 1 29 THR HG21 H -5.198 1.784 -2.386 1.00 . A A . 29 THR HG21 1 1 2 997 1 1 29 THR HG22 H -4.605 0.976 -3.858 1.00 . A A . 29 THR HG22 1 1 2 998 1 1 29 THR HG23 H -5.122 2.678 -3.924 1.00 . A A . 29 THR HG23 1 1 2 999 1 1 29 THR N N -7.824 2.559 -5.520 1.00 . A A . 29 THR N 1 1 2 1000 1 1 29 THR O O -6.496 3.770 -2.462 1.00 . A A . 29 THR O 1 1 2 1001 1 1 29 THR OG1 O -7.227 0.720 -2.572 1.00 . A A . 29 THR OG1 1 1 2 1002 1 1 30 LEU C C -5.613 6.291 -3.783 1.00 . A A . 30 LEU C 1 1 2 1003 1 1 30 LEU CA C -7.137 6.170 -3.709 1.00 . A A . 30 LEU CA 1 1 2 1004 1 1 30 LEU CB C -7.709 6.462 -2.321 1.00 . A A . 30 LEU CB 1 1 2 1005 1 1 30 LEU CD1 C -9.607 6.285 -0.670 1.00 . A A . 30 LEU CD1 1 1 2 1006 1 1 30 LEU CD2 C -10.037 7.135 -3.022 1.00 . A A . 30 LEU CD2 1 1 2 1007 1 1 30 LEU CG C -9.206 6.197 -2.143 1.00 . A A . 30 LEU CG 1 1 2 1008 1 1 30 LEU H H -8.089 4.832 -4.989 1.00 . A A . 30 LEU H 1 1 2 1009 1 1 30 LEU HA H -7.574 6.894 -4.397 1.00 . A A . 30 LEU HA 1 1 2 1010 1 1 30 LEU HB2 H -7.165 5.862 -1.591 1.00 . A A . 30 LEU HB2 1 1 2 1011 1 1 30 LEU HB3 H -7.514 7.508 -2.081 1.00 . A A . 30 LEU HB3 1 1 2 1012 1 1 30 LEU HD11 H -9.926 7.303 -0.441 1.00 . A A . 30 LEU HD11 1 1 2 1013 1 1 30 LEU HD12 H -10.427 5.595 -0.473 1.00 . A A . 30 LEU HD12 1 1 2 1014 1 1 30 LEU HD13 H -8.754 6.023 -0.044 1.00 . A A . 30 LEU HD13 1 1 2 1015 1 1 30 LEU HD21 H -10.667 6.545 -3.687 1.00 . A A . 30 LEU HD21 1 1 2 1016 1 1 30 LEU HD22 H -10.663 7.763 -2.389 1.00 . A A . 30 LEU HD22 1 1 2 1017 1 1 30 LEU HD23 H -9.371 7.763 -3.613 1.00 . A A . 30 LEU HD23 1 1 2 1018 1 1 30 LEU HG H -9.414 5.179 -2.472 1.00 . A A . 30 LEU HG 1 1 2 1019 1 1 30 LEU N N -7.536 4.847 -4.157 1.00 . A A . 30 LEU N 1 1 2 1020 1 1 30 LEU O O -4.998 6.959 -2.954 1.00 . A A . 30 LEU O 1 1 2 1021 1 1 31 TRP C C -2.944 5.436 -3.619 1.00 . A A . 31 TRP C 1 1 2 1022 1 1 31 TRP CA C -3.608 5.659 -4.980 1.00 . A A . 31 TRP CA 1 1 2 1023 1 1 31 TRP CB C -3.168 6.959 -5.655 1.00 . A A . 31 TRP CB 1 1 2 1024 1 1 31 TRP CD1 C -2.961 7.008 -8.226 1.00 . A A . 31 TRP CD1 1 1 2 1025 1 1 31 TRP CD2 C -5.017 7.409 -7.507 1.00 . A A . 31 TRP CD2 1 1 2 1026 1 1 31 TRP CE2 C -5.046 7.464 -8.886 1.00 . A A . 31 TRP CE2 1 1 2 1027 1 1 31 TRP CE3 C -6.178 7.622 -6.741 1.00 . A A . 31 TRP CE3 1 1 2 1028 1 1 31 TRP CG C -3.668 7.114 -7.092 1.00 . A A . 31 TRP CG 1 1 2 1029 1 1 31 TRP CH2 C -7.376 7.947 -8.878 1.00 . A A . 31 TRP CH2 1 1 2 1030 1 1 31 TRP CZ2 C -6.208 7.731 -9.618 1.00 . A A . 31 TRP CZ2 1 1 2 1031 1 1 31 TRP CZ3 C -7.331 7.888 -7.489 1.00 . A A . 31 TRP CZ3 1 1 2 1032 1 1 31 TRP H H -5.555 5.092 -5.456 1.00 . A A . 31 TRP H 1 1 2 1033 1 1 31 TRP HA H -3.348 4.846 -5.658 1.00 . A A . 31 TRP HA 1 1 2 1034 1 1 31 TRP HB2 H -3.526 7.803 -5.063 1.00 . A A . 31 TRP HB2 1 1 2 1035 1 1 31 TRP HB3 H -2.079 7.008 -5.652 1.00 . A A . 31 TRP HB3 1 1 2 1036 1 1 31 TRP HD1 H -1.895 6.789 -8.267 1.00 . A A . 31 TRP HD1 1 1 2 1037 1 1 31 TRP HE1 H -3.430 7.182 -10.376 1.00 . A A . 31 TRP HE1 1 1 2 1038 1 1 31 TRP HE3 H -6.182 7.584 -5.652 1.00 . A A . 31 TRP HE3 1 1 2 1039 1 1 31 TRP HH2 H -8.315 8.160 -9.386 1.00 . A A . 31 TRP HH2 1 1 2 1040 1 1 31 TRP HZ2 H -6.203 7.769 -10.708 1.00 . A A . 31 TRP HZ2 1 1 2 1041 1 1 31 TRP HZ3 H -8.259 8.061 -6.945 1.00 . A A . 31 TRP HZ3 1 1 2 1042 1 1 31 TRP N N -5.047 5.634 -4.786 1.00 . A A . 31 TRP N 1 1 2 1043 1 1 31 TRP NE1 N -3.756 7.212 -9.336 1.00 . A A . 31 TRP NE1 1 1 2 1044 1 1 31 TRP O O -2.628 6.394 -2.915 1.00 . A A . 31 TRP O 1 1 2 1045 1 1 32 LEU C C -1.163 2.644 -2.252 1.00 . A A . 32 LEU C 1 1 2 1046 1 1 32 LEU CA C -2.130 3.808 -2.027 1.00 . A A . 32 LEU CA 1 1 2 1047 1 1 32 LEU CB C -3.197 3.523 -0.968 1.00 . A A . 32 LEU CB 1 1 2 1048 1 1 32 LEU CD1 C -4.904 4.338 0.701 1.00 . A A . 32 LEU CD1 1 1 2 1049 1 1 32 LEU CD2 C -2.906 5.784 0.110 1.00 . A A . 32 LEU CD2 1 1 2 1050 1 1 32 LEU CG C -3.912 4.746 -0.390 1.00 . A A . 32 LEU CG 1 1 2 1051 1 1 32 LEU H H -3.011 3.395 -3.869 1.00 . A A . 32 LEU H 1 1 2 1052 1 1 32 LEU HA H -1.559 4.671 -1.686 1.00 . A A . 32 LEU HA 1 1 2 1053 1 1 32 LEU HB2 H -3.946 2.862 -1.403 1.00 . A A . 32 LEU HB2 1 1 2 1054 1 1 32 LEU HB3 H -2.731 2.979 -0.147 1.00 . A A . 32 LEU HB3 1 1 2 1055 1 1 32 LEU HD11 H -4.546 3.438 1.198 1.00 . A A . 32 LEU HD11 1 1 2 1056 1 1 32 LEU HD12 H -4.995 5.144 1.429 1.00 . A A . 32 LEU HD12 1 1 2 1057 1 1 32 LEU HD13 H -5.878 4.143 0.252 1.00 . A A . 32 LEU HD13 1 1 2 1058 1 1 32 LEU HD21 H -2.355 6.195 -0.737 1.00 . A A . 32 LEU HD21 1 1 2 1059 1 1 32 LEU HD22 H -3.436 6.588 0.621 1.00 . A A . 32 LEU HD22 1 1 2 1060 1 1 32 LEU HD23 H -2.209 5.311 0.802 1.00 . A A . 32 LEU HD23 1 1 2 1061 1 1 32 LEU HG H -4.487 5.215 -1.190 1.00 . A A . 32 LEU HG 1 1 2 1062 1 1 32 LEU N N -2.752 4.167 -3.290 1.00 . A A . 32 LEU N 1 1 2 1063 1 1 32 LEU O O 0.007 2.725 -1.881 1.00 . A A . 32 LEU O 1 1 2 1064 1 1 33 ARG C C 0.120 0.705 -4.256 1.00 . A A . 33 ARG C 1 1 2 1065 1 1 33 ARG CA C -0.883 0.412 -3.139 1.00 . A A . 33 ARG CA 1 1 2 1066 1 1 33 ARG CB C -1.763 -0.770 -3.550 1.00 . A A . 33 ARG CB 1 1 2 1067 1 1 33 ARG CD C -2.112 -2.423 -1.677 1.00 . A A . 33 ARG CD 1 1 2 1068 1 1 33 ARG CG C -1.273 -2.070 -2.907 1.00 . A A . 33 ARG CG 1 1 2 1069 1 1 33 ARG CZ C -3.448 -4.451 -2.274 1.00 . A A . 33 ARG CZ 1 1 2 1070 1 1 33 ARG H H -2.639 1.532 -3.158 1.00 . A A . 33 ARG H 1 1 2 1071 1 1 33 ARG HA H -0.372 0.194 -2.201 1.00 . A A . 33 ARG HA 1 1 2 1072 1 1 33 ARG HB2 H -2.795 -0.581 -3.253 1.00 . A A . 33 ARG HB2 1 1 2 1073 1 1 33 ARG HB3 H -1.757 -0.872 -4.635 1.00 . A A . 33 ARG HB3 1 1 2 1074 1 1 33 ARG HD2 H -1.582 -2.135 -0.770 1.00 . A A . 33 ARG HD2 1 1 2 1075 1 1 33 ARG HD3 H -3.047 -1.864 -1.692 1.00 . A A . 33 ARG HD3 1 1 2 1076 1 1 33 ARG HE H -1.764 -4.469 -1.157 1.00 . A A . 33 ARG HE 1 1 2 1077 1 1 33 ARG HG2 H -1.324 -2.881 -3.633 1.00 . A A . 33 ARG HG2 1 1 2 1078 1 1 33 ARG HG3 H -0.227 -1.965 -2.619 1.00 . A A . 33 ARG HG3 1 1 2 1079 1 1 33 ARG HH11 H -4.208 -2.709 -3.022 1.00 . A A . 33 ARG HH11 1 1 2 1080 1 1 33 ARG HH12 H -5.111 -4.132 -3.417 1.00 . A A . 33 ARG HH12 1 1 2 1081 1 1 33 ARG HH21 H -4.356 -6.262 -2.617 1.00 . A A . 33 ARG HH21 1 1 2 1082 1 1 33 ARG N N -1.686 1.590 -2.858 1.00 . A A . 33 ARG N 1 1 2 1083 1 1 33 ARG NE N -2.393 -3.876 -1.658 1.00 . A A . 33 ARG NE 1 1 2 1084 1 1 33 ARG NH1 N -4.333 -3.699 -2.964 1.00 . A A . 33 ARG NH1 1 1 2 1085 1 1 33 ARG NH2 N -3.603 -5.759 -2.191 1.00 . A A . 33 ARG NH2 1 1 2 1086 1 1 33 ARG O O 0.171 1.822 -4.771 1.00 . A A . 33 ARG O 1 1 2 1087 1 1 34 CYS C C 1.950 -1.497 -6.425 1.00 . A A . 34 CYS C 1 1 2 1088 1 1 34 CYS CA C 1.890 -0.181 -5.646 1.00 . A A . 34 CYS CA 1 1 2 1089 1 1 34 CYS CB C 3.256 0.210 -5.078 1.00 . A A . 34 CYS CB 1 1 2 1090 1 1 34 CYS H H 0.843 -1.220 -4.174 1.00 . A A . 34 CYS H 1 1 2 1091 1 1 34 CYS HA H 1.560 0.635 -6.289 1.00 . A A . 34 CYS HA 1 1 2 1092 1 1 34 CYS HB2 H 3.358 -0.226 -4.084 1.00 . A A . 34 CYS HB2 1 1 2 1093 1 1 34 CYS HB3 H 4.032 -0.233 -5.702 1.00 . A A . 34 CYS HB3 1 1 2 1094 1 1 34 CYS N N 0.891 -0.316 -4.598 1.00 . A A . 34 CYS N 1 1 2 1095 1 1 34 CYS O O 2.729 -2.386 -6.087 1.00 . A A . 34 CYS O 1 1 2 1096 1 1 34 CYS SG S 3.553 2.011 -4.963 1.00 . A A . 34 CYS SG 1 1 2 1097 1 1 35 THR C C 2.149 -2.717 -9.359 1.00 . A A . 35 THR C 1 1 2 1098 1 1 35 THR CA C 1.065 -2.770 -8.280 1.00 . A A . 35 THR CA 1 1 2 1099 1 1 35 THR CB C -0.351 -2.891 -8.848 1.00 . A A . 35 THR CB 1 1 2 1100 1 1 35 THR CG2 C -0.391 -2.696 -10.365 1.00 . A A . 35 THR CG2 1 1 2 1101 1 1 35 THR H H 0.486 -0.850 -7.719 1.00 . A A . 35 THR H 1 1 2 1102 1 1 35 THR HA H 1.280 -3.635 -7.652 1.00 . A A . 35 THR HA 1 1 2 1103 1 1 35 THR HB H -1.030 -2.200 -8.349 1.00 . A A . 35 THR HB 1 1 2 1104 1 1 35 THR HG1 H -1.670 -4.393 -8.760 1.00 . A A . 35 THR HG1 1 1 2 1105 1 1 35 THR HG21 H 0.314 -3.379 -10.839 1.00 . A A . 35 THR HG21 1 1 2 1106 1 1 35 THR HG22 H -1.398 -2.903 -10.730 1.00 . A A . 35 THR HG22 1 1 2 1107 1 1 35 THR HG23 H -0.121 -1.669 -10.607 1.00 . A A . 35 THR HG23 1 1 2 1108 1 1 35 THR N N 1.116 -1.578 -7.451 1.00 . A A . 35 THR N 1 1 2 1109 1 1 35 THR O O 2.293 -1.711 -10.051 1.00 . A A . 35 THR O 1 1 2 1110 1 1 35 THR OG1 O -0.683 -4.264 -8.665 1.00 . A A . 35 THR OG1 1 1 2 1111 1 1 36 CYS C C 3.352 -4.398 -11.766 1.00 . A A . 36 CYS C 1 1 2 1112 1 1 36 CYS CA C 3.953 -3.904 -10.448 1.00 . A A . 36 CYS CA 1 1 2 1113 1 1 36 CYS CB C 5.091 -4.806 -9.966 1.00 . A A . 36 CYS CB 1 1 2 1114 1 1 36 CYS H H 2.763 -4.627 -8.899 1.00 . A A . 36 CYS H 1 1 2 1115 1 1 36 CYS HA H 4.360 -2.900 -10.562 1.00 . A A . 36 CYS HA 1 1 2 1116 1 1 36 CYS HB2 H 4.661 -5.716 -9.546 1.00 . A A . 36 CYS HB2 1 1 2 1117 1 1 36 CYS HB3 H 5.690 -5.104 -10.826 1.00 . A A . 36 CYS HB3 1 1 2 1118 1 1 36 CYS N N 2.886 -3.814 -9.467 1.00 . A A . 36 CYS N 1 1 2 1119 1 1 36 CYS O O 2.830 -5.510 -11.836 1.00 . A A . 36 CYS O 1 1 2 1120 1 1 36 CYS SG S 6.193 -4.049 -8.717 1.00 . A A . 36 CYS SG 1 1 2 1121 1 1 37 THR C C 4.058 -4.041 -15.099 1.00 . A A . 37 THR C 1 1 2 1122 1 1 37 THR CA C 2.918 -3.885 -14.090 1.00 . A A . 37 THR CA 1 1 2 1123 1 1 37 THR CB C 1.904 -2.809 -14.481 1.00 . A A . 37 THR CB 1 1 2 1124 1 1 37 THR CG2 C 0.596 -2.923 -13.694 1.00 . A A . 37 THR CG2 1 1 2 1125 1 1 37 THR H H 3.872 -2.646 -12.713 1.00 . A A . 37 THR H 1 1 2 1126 1 1 37 THR HA H 2.417 -4.851 -14.021 1.00 . A A . 37 THR HA 1 1 2 1127 1 1 37 THR HB H 1.714 -2.825 -15.554 1.00 . A A . 37 THR HB 1 1 2 1128 1 1 37 THR HG1 H 3.022 -1.171 -14.742 1.00 . A A . 37 THR HG1 1 1 2 1129 1 1 37 THR HG21 H -0.245 -2.945 -14.387 1.00 . A A . 37 THR HG21 1 1 2 1130 1 1 37 THR HG22 H 0.606 -3.840 -13.105 1.00 . A A . 37 THR HG22 1 1 2 1131 1 1 37 THR HG23 H 0.496 -2.065 -13.029 1.00 . A A . 37 THR HG23 1 1 2 1132 1 1 37 THR N N 3.446 -3.548 -12.778 1.00 . A A . 37 THR N 1 1 2 1133 1 1 37 THR O O 5.051 -3.318 -15.036 1.00 . A A . 37 THR O 1 1 2 1134 1 1 37 THR OG1 O 2.486 -1.596 -14.013 1.00 . A A . 37 THR OG1 1 1 2 1135 1 1 38 ASP C C 6.186 -5.670 -16.355 1.00 . A A . 38 ASP C 1 1 2 1136 1 1 38 ASP CA C 4.877 -5.252 -17.026 1.00 . A A . 38 ASP CA 1 1 2 1137 1 1 38 ASP CB C 5.151 -4.000 -17.860 1.00 . A A . 38 ASP CB 1 1 2 1138 1 1 38 ASP CG C 4.110 -3.700 -18.940 1.00 . A A . 38 ASP CG 1 1 2 1139 1 1 38 ASP H H 3.065 -5.575 -16.048 1.00 . A A . 38 ASP H 1 1 2 1140 1 1 38 ASP HA H 4.454 -6.043 -17.646 1.00 . A A . 38 ASP HA 1 1 2 1141 1 1 38 ASP HB2 H 5.215 -3.142 -17.191 1.00 . A A . 38 ASP HB2 1 1 2 1142 1 1 38 ASP HB3 H 6.126 -4.105 -18.336 1.00 . A A . 38 ASP HB3 1 1 2 1143 1 1 38 ASP HD2 H 3.041 -2.632 -17.816 1.00 . A A . 38 ASP HD2 1 1 2 1144 1 1 38 ASP N N 3.876 -4.991 -16.005 1.00 . A A . 38 ASP N 1 1 2 1145 1 1 38 ASP O O 6.576 -5.101 -15.337 1.00 . A A . 38 ASP O 1 1 2 1146 1 1 38 ASP OD1 O 3.971 -4.449 -19.919 1.00 . A A . 38 ASP OD1 1 1 2 1147 1 1 38 ASP OD2 O 3.412 -2.632 -18.745 1.00 . A A . 38 ASP OD2 1 1 2 1148 1 1 39 CYS C C 8.866 -7.810 -17.574 1.00 . A A . 39 CYS C 1 1 2 1149 1 1 39 CYS CA C 8.088 -7.163 -16.426 1.00 . A A . 39 CYS CA 1 1 2 1150 1 1 39 CYS CB C 7.868 -8.135 -15.266 1.00 . A A . 39 CYS CB 1 1 2 1151 1 1 39 CYS H H 6.506 -7.120 -17.782 1.00 . A A . 39 CYS H 1 1 2 1152 1 1 39 CYS HA H 8.627 -6.302 -16.031 1.00 . A A . 39 CYS HA 1 1 2 1153 1 1 39 CYS HB2 H 7.473 -9.070 -15.664 1.00 . A A . 39 CYS HB2 1 1 2 1154 1 1 39 CYS HB3 H 8.833 -8.364 -14.814 1.00 . A A . 39 CYS HB3 1 1 2 1155 1 1 39 CYS N N 6.830 -6.662 -16.954 1.00 . A A . 39 CYS N 1 1 2 1156 1 1 39 CYS O O 8.286 -8.164 -18.599 1.00 . A A . 39 CYS O 1 1 2 1157 1 1 39 CYS SG S 6.738 -7.528 -13.960 1.00 . A A . 39 CYS SG 1 1 2 1158 1 1 40 ASN C C 11.537 -9.896 -17.857 1.00 . A A . 40 ASN C 1 1 2 1159 1 1 40 ASN CA C 11.029 -8.545 -18.367 1.00 . A A . 40 ASN CA 1 1 2 1160 1 1 40 ASN CB C 12.244 -7.659 -18.648 1.00 . A A . 40 ASN CB 1 1 2 1161 1 1 40 ASN CG C 13.292 -8.410 -19.473 1.00 . A A . 40 ASN CG 1 1 2 1162 1 1 40 ASN H H 10.630 -7.656 -16.525 1.00 . A A . 40 ASN H 1 1 2 1163 1 1 40 ASN HA H 10.408 -8.641 -19.257 1.00 . A A . 40 ASN HA 1 1 2 1164 1 1 40 ASN HB2 H 11.930 -6.762 -19.181 1.00 . A A . 40 ASN HB2 1 1 2 1165 1 1 40 ASN HB3 H 12.685 -7.331 -17.706 1.00 . A A . 40 ASN HB3 1 1 2 1166 1 1 40 ASN HD21 H 14.716 -7.705 -18.219 1.00 . A A . 40 ASN HD21 1 1 2 1167 1 1 40 ASN HD22 H 15.293 -8.719 -19.499 1.00 . A A . 40 ASN HD22 1 1 2 1168 1 1 40 ASN N N 10.166 -7.947 -17.363 1.00 . A A . 40 ASN N 1 1 2 1169 1 1 40 ASN ND2 N 14.536 -8.266 -19.027 1.00 . A A . 40 ASN ND2 1 1 2 1170 1 1 40 ASN O O 12.697 -10.021 -17.469 1.00 . A A . 40 ASN O 1 1 2 1171 1 1 40 ASN OD1 O 12.989 -9.076 -20.449 1.00 . A A . 40 ASN OD1 1 1 2 1172 1 1 41 GLY C C 9.727 -13.006 -17.063 1.00 . A A . 41 GLY C 1 1 2 1173 1 1 41 GLY CA C 10.984 -12.208 -17.418 1.00 . A A . 41 GLY CA 1 1 2 1174 1 1 41 GLY H H 9.700 -10.762 -18.190 1.00 . A A . 41 GLY H 1 1 2 1175 1 1 41 GLY HA2 H 11.543 -12.730 -18.195 1.00 . A A . 41 GLY HA2 1 1 2 1176 1 1 41 GLY HA3 H 11.636 -12.145 -16.546 1.00 . A A . 41 GLY HA3 1 1 2 1177 1 1 41 GLY N N 10.642 -10.872 -17.874 1.00 . A A . 41 GLY N 1 1 2 1178 1 1 41 GLY O O 8.638 -12.704 -17.549 1.00 . A A . 41 GLY O 1 1 2 1179 1 1 42 LYS C C 8.219 -15.558 -17.016 1.00 . A A . 42 LYS C 1 1 2 1180 1 1 42 LYS CA C 8.816 -14.853 -15.795 1.00 . A A . 42 LYS CA 1 1 2 1181 1 1 42 LYS CB C 7.796 -14.039 -14.997 1.00 . A A . 42 LYS CB 1 1 2 1182 1 1 42 LYS CD C 7.134 -14.673 -12.648 1.00 . A A . 42 LYS CD 1 1 2 1183 1 1 42 LYS CE C 7.545 -16.114 -12.343 1.00 . A A . 42 LYS CE 1 1 2 1184 1 1 42 LYS CG C 8.182 -13.975 -13.518 1.00 . A A . 42 LYS CG 1 1 2 1185 1 1 42 LYS H H 10.809 -14.249 -15.830 1.00 . A A . 42 LYS H 1 1 2 1186 1 1 42 LYS HA H 9.221 -15.609 -15.123 1.00 . A A . 42 LYS HA 1 1 2 1187 1 1 42 LYS HB2 H 7.732 -13.029 -15.404 1.00 . A A . 42 LYS HB2 1 1 2 1188 1 1 42 LYS HB3 H 6.807 -14.486 -15.100 1.00 . A A . 42 LYS HB3 1 1 2 1189 1 1 42 LYS HD2 H 7.005 -14.123 -11.715 1.00 . A A . 42 LYS HD2 1 1 2 1190 1 1 42 LYS HD3 H 6.170 -14.666 -13.157 1.00 . A A . 42 LYS HD3 1 1 2 1191 1 1 42 LYS HE2 H 8.241 -16.469 -13.105 1.00 . A A . 42 LYS HE2 1 1 2 1192 1 1 42 LYS HE3 H 8.071 -16.155 -11.389 1.00 . A A . 42 LYS HE3 1 1 2 1193 1 1 42 LYS HG2 H 9.153 -14.447 -13.372 1.00 . A A . 42 LYS HG2 1 1 2 1194 1 1 42 LYS HG3 H 8.282 -12.935 -13.208 1.00 . A A . 42 LYS HG3 1 1 2 1195 1 1 42 LYS HZ1 H 6.211 -17.390 -11.376 1.00 . A A . 42 LYS HZ1 1 1 2 1196 1 1 42 LYS HZ2 H 5.507 -16.498 -12.543 1.00 . A A . 42 LYS HZ2 1 1 2 1197 1 1 42 LYS N N 9.920 -14.010 -16.221 1.00 . A A . 42 LYS N 1 1 2 1198 1 1 42 LYS NZ N 6.357 -16.995 -12.299 1.00 . A A . 42 LYS NZ 1 1 2 1199 1 1 42 LYS O O 7.668 -14.910 -17.904 1.00 . A A . 42 LYS O 1 1 2 1200 1 1 43 LYS C C 6.855 -18.718 -17.565 1.00 . A A . 43 LYS C 1 1 2 1201 1 1 43 LYS CA C 7.831 -17.677 -18.116 1.00 . A A . 43 LYS CA 1 1 2 1202 1 1 43 LYS CB C 8.979 -18.280 -18.929 1.00 . A A . 43 LYS CB 1 1 2 1203 1 1 43 LYS CD C 11.005 -16.825 -19.310 1.00 . A A . 43 LYS CD 1 1 2 1204 1 1 43 LYS CE C 12.014 -17.959 -19.502 1.00 . A A . 43 LYS CE 1 1 2 1205 1 1 43 LYS CG C 9.623 -17.227 -19.834 1.00 . A A . 43 LYS CG 1 1 2 1206 1 1 43 LYS H H 8.801 -17.396 -16.293 1.00 . A A . 43 LYS H 1 1 2 1207 1 1 43 LYS HA H 7.284 -17.007 -18.779 1.00 . A A . 43 LYS HA 1 1 2 1208 1 1 43 LYS HB2 H 9.729 -18.694 -18.255 1.00 . A A . 43 LYS HB2 1 1 2 1209 1 1 43 LYS HB3 H 8.606 -19.105 -19.535 1.00 . A A . 43 LYS HB3 1 1 2 1210 1 1 43 LYS HD2 H 11.349 -15.933 -19.832 1.00 . A A . 43 LYS HD2 1 1 2 1211 1 1 43 LYS HD3 H 10.936 -16.569 -18.253 1.00 . A A . 43 LYS HD3 1 1 2 1212 1 1 43 LYS HE2 H 12.019 -18.601 -18.622 1.00 . A A . 43 LYS HE2 1 1 2 1213 1 1 43 LYS HE3 H 11.716 -18.579 -20.348 1.00 . A A . 43 LYS HE3 1 1 2 1214 1 1 43 LYS HG2 H 9.713 -17.618 -20.846 1.00 . A A . 43 LYS HG2 1 1 2 1215 1 1 43 LYS HG3 H 8.981 -16.347 -19.888 1.00 . A A . 43 LYS HG3 1 1 2 1216 1 1 43 LYS HZ1 H 14.094 -18.041 -19.407 1.00 . A A . 43 LYS HZ1 1 1 2 1217 1 1 43 LYS HZ2 H 13.548 -17.243 -20.717 1.00 . A A . 43 LYS HZ2 1 1 2 1218 1 1 43 LYS N N 8.350 -16.876 -17.020 1.00 . A A . 43 LYS N 1 1 2 1219 1 1 43 LYS NZ N 13.369 -17.411 -19.733 1.00 . A A . 43 LYS NZ 1 1 2 1220 1 1 43 LYS O O 6.675 -19.780 -18.157 1.00 . A A . 43 LYS O 1 1 3 1221 1 1 1 GLY C C 4.267 0.525 -0.242 1.00 . A A . 1 GLY C 1 1 3 1222 1 1 1 GLY CA C 2.782 0.273 -0.515 1.00 . A A . 1 GLY CA 1 1 3 1223 1 1 1 GLY H1 H 2.362 2.021 -1.566 1.00 . A A . 1 GLY H1 1 1 3 1224 1 1 1 GLY HA2 H 2.336 -0.248 0.333 1.00 . A A . 1 GLY HA2 1 1 3 1225 1 1 1 GLY HA3 H 2.673 -0.379 -1.382 1.00 . A A . 1 GLY HA3 1 1 3 1226 1 1 1 GLY N N 2.076 1.521 -0.749 1.00 . A A . 1 GLY N 1 1 3 1227 1 1 1 GLY O O 4.737 0.329 0.877 1.00 . A A . 1 GLY O 1 1 3 1228 1 1 2 PHE C C 6.691 2.679 -1.575 1.00 . A A . 2 PHE C 1 1 3 1229 1 1 2 PHE CA C 6.383 1.235 -1.171 1.00 . A A . 2 PHE CA 1 1 3 1230 1 1 2 PHE CB C 7.104 0.286 -2.129 1.00 . A A . 2 PHE CB 1 1 3 1231 1 1 2 PHE CD1 C 7.376 -1.746 -0.690 1.00 . A A . 2 PHE CD1 1 1 3 1232 1 1 2 PHE CD2 C 9.319 -0.727 -1.547 1.00 . A A . 2 PHE CD2 1 1 3 1233 1 1 2 PHE CE1 C 8.175 -2.725 -0.041 1.00 . A A . 2 PHE CE1 1 1 3 1234 1 1 2 PHE CE2 C 10.119 -1.705 -0.898 1.00 . A A . 2 PHE CE2 1 1 3 1235 1 1 2 PHE CG C 7.965 -0.768 -1.430 1.00 . A A . 2 PHE CG 1 1 3 1236 1 1 2 PHE CZ C 9.529 -2.683 -0.159 1.00 . A A . 2 PHE CZ 1 1 3 1237 1 1 2 PHE H H 4.571 1.112 -2.191 1.00 . A A . 2 PHE H 1 1 3 1238 1 1 2 PHE HA H 6.660 1.086 -0.128 1.00 . A A . 2 PHE HA 1 1 3 1239 1 1 2 PHE HB2 H 6.364 -0.219 -2.750 1.00 . A A . 2 PHE HB2 1 1 3 1240 1 1 2 PHE HB3 H 7.736 0.870 -2.798 1.00 . A A . 2 PHE HB3 1 1 3 1241 1 1 2 PHE HD1 H 6.291 -1.779 -0.596 1.00 . A A . 2 PHE HD1 1 1 3 1242 1 1 2 PHE HD2 H 9.792 0.057 -2.140 1.00 . A A . 2 PHE HD2 1 1 3 1243 1 1 2 PHE HE1 H 7.702 -3.508 0.551 1.00 . A A . 2 PHE HE1 1 1 3 1244 1 1 2 PHE HE2 H 11.204 -1.672 -0.992 1.00 . A A . 2 PHE HE2 1 1 3 1245 1 1 2 PHE HZ H 10.143 -3.434 0.340 1.00 . A A . 2 PHE HZ 1 1 3 1246 1 1 2 PHE N N 4.962 0.955 -1.285 1.00 . A A . 2 PHE N 1 1 3 1247 1 1 2 PHE O O 7.740 2.955 -2.155 1.00 . A A . 2 PHE O 1 1 3 1248 1 1 3 GLY C C 4.564 5.690 -1.562 1.00 . A A . 3 GLY C 1 1 3 1249 1 1 3 GLY CA C 5.914 4.970 -1.576 1.00 . A A . 3 GLY CA 1 1 3 1250 1 1 3 GLY H H 4.905 3.329 -0.782 1.00 . A A . 3 GLY H 1 1 3 1251 1 1 3 GLY HA2 H 6.588 5.438 -0.857 1.00 . A A . 3 GLY HA2 1 1 3 1252 1 1 3 GLY HA3 H 6.376 5.072 -2.557 1.00 . A A . 3 GLY HA3 1 1 3 1253 1 1 3 GLY N N 5.756 3.562 -1.253 1.00 . A A . 3 GLY N 1 1 3 1254 1 1 3 GLY O O 4.426 6.747 -0.948 1.00 . A A . 3 GLY O 1 1 3 1255 1 1 4 CYS C C 1.620 5.548 -0.941 1.00 . A A . 4 CYS C 1 1 3 1256 1 1 4 CYS CA C 2.269 5.660 -2.322 1.00 . A A . 4 CYS CA 1 1 3 1257 1 1 4 CYS CB C 1.425 4.986 -3.405 1.00 . A A . 4 CYS CB 1 1 3 1258 1 1 4 CYS H H 3.722 4.230 -2.744 1.00 . A A . 4 CYS H 1 1 3 1259 1 1 4 CYS HA H 2.390 6.705 -2.608 1.00 . A A . 4 CYS HA 1 1 3 1260 1 1 4 CYS HB2 H 1.194 3.969 -3.087 1.00 . A A . 4 CYS HB2 1 1 3 1261 1 1 4 CYS HB3 H 0.476 5.517 -3.490 1.00 . A A . 4 CYS HB3 1 1 3 1262 1 1 4 CYS N N 3.603 5.090 -2.248 1.00 . A A . 4 CYS N 1 1 3 1263 1 1 4 CYS O O 1.930 4.634 -0.178 1.00 . A A . 4 CYS O 1 1 3 1264 1 1 4 CYS SG S 2.208 4.919 -5.058 1.00 . A A . 4 CYS SG 1 1 3 1265 1 1 5 PRO C C 1.527 8.595 -1.679 1.00 . A A . 5 PRO C 1 1 3 1266 1 1 5 PRO CA C 0.400 7.563 -1.613 1.00 . A A . 5 PRO CA 1 1 3 1267 1 1 5 PRO CB C -0.920 8.152 -1.142 1.00 . A A . 5 PRO CB 1 1 3 1268 1 1 5 PRO CD C -0.050 6.639 0.588 1.00 . A A . 5 PRO CD 1 1 3 1269 1 1 5 PRO CG C -1.066 7.735 0.312 1.00 . A A . 5 PRO CG 1 1 3 1270 1 1 5 PRO HA H 0.327 7.178 -2.533 1.00 . A A . 5 PRO HA 1 1 3 1271 1 1 5 PRO HB2 H -0.918 9.238 -1.239 1.00 . A A . 5 PRO HB2 1 1 3 1272 1 1 5 PRO HB3 H -1.750 7.779 -1.742 1.00 . A A . 5 PRO HB3 1 1 3 1273 1 1 5 PRO HD2 H 0.598 6.901 1.423 1.00 . A A . 5 PRO HD2 1 1 3 1274 1 1 5 PRO HD3 H -0.540 5.700 0.848 1.00 . A A . 5 PRO HD3 1 1 3 1275 1 1 5 PRO HG2 H -0.899 8.585 0.973 1.00 . A A . 5 PRO HG2 1 1 3 1276 1 1 5 PRO HG3 H -2.077 7.375 0.506 1.00 . A A . 5 PRO HG3 1 1 3 1277 1 1 5 PRO N N 0.708 6.516 -0.654 1.00 . A A . 5 PRO N 1 1 3 1278 1 1 5 PRO O O 2.306 8.729 -0.737 1.00 . A A . 5 PRO O 1 1 3 1279 1 1 6 GLY C C 3.945 9.679 -3.342 1.00 . A A . 6 GLY C 1 1 3 1280 1 1 6 GLY CA C 2.596 10.315 -3.003 1.00 . A A . 6 GLY CA 1 1 3 1281 1 1 6 GLY H H 0.940 9.182 -3.563 1.00 . A A . 6 GLY H 1 1 3 1282 1 1 6 GLY HA2 H 2.292 10.984 -3.807 1.00 . A A . 6 GLY HA2 1 1 3 1283 1 1 6 GLY HA3 H 2.692 10.922 -2.102 1.00 . A A . 6 GLY HA3 1 1 3 1284 1 1 6 GLY N N 1.577 9.298 -2.801 1.00 . A A . 6 GLY N 1 1 3 1285 1 1 6 GLY O O 4.933 9.901 -2.644 1.00 . A A . 6 GLY O 1 1 3 1286 1 1 7 ASN C C 4.799 7.184 -5.911 1.00 . A A . 7 ASN C 1 1 3 1287 1 1 7 ASN CA C 5.156 8.232 -4.855 1.00 . A A . 7 ASN CA 1 1 3 1288 1 1 7 ASN CB C 5.843 7.516 -3.692 1.00 . A A . 7 ASN CB 1 1 3 1289 1 1 7 ASN CG C 7.242 8.087 -3.445 1.00 . A A . 7 ASN CG 1 1 3 1290 1 1 7 ASN H H 3.136 8.727 -4.977 1.00 . A A . 7 ASN H 1 1 3 1291 1 1 7 ASN HA H 5.792 9.023 -5.251 1.00 . A A . 7 ASN HA 1 1 3 1292 1 1 7 ASN HB2 H 5.241 7.618 -2.789 1.00 . A A . 7 ASN HB2 1 1 3 1293 1 1 7 ASN HB3 H 5.915 6.449 -3.907 1.00 . A A . 7 ASN HB3 1 1 3 1294 1 1 7 ASN HD21 H 6.958 7.799 -1.462 1.00 . A A . 7 ASN HD21 1 1 3 1295 1 1 7 ASN HD22 H 8.487 8.484 -1.900 1.00 . A A . 7 ASN HD22 1 1 3 1296 1 1 7 ASN N N 3.944 8.902 -4.415 1.00 . A A . 7 ASN N 1 1 3 1297 1 1 7 ASN ND2 N 7.592 8.127 -2.163 1.00 . A A . 7 ASN ND2 1 1 3 1298 1 1 7 ASN O O 4.722 5.994 -5.609 1.00 . A A . 7 ASN O 1 1 3 1299 1 1 7 ASN OD1 O 7.955 8.466 -4.359 1.00 . A A . 7 ASN OD1 1 1 3 1300 1 1 8 GLN C C 5.509 6.319 -8.958 1.00 . A A . 8 GLN C 1 1 3 1301 1 1 8 GLN CA C 4.245 6.783 -8.231 1.00 . A A . 8 GLN CA 1 1 3 1302 1 1 8 GLN CB C 3.277 7.468 -9.198 1.00 . A A . 8 GLN CB 1 1 3 1303 1 1 8 GLN CD C 1.697 6.941 -11.091 1.00 . A A . 8 GLN CD 1 1 3 1304 1 1 8 GLN CG C 2.250 6.474 -9.743 1.00 . A A . 8 GLN CG 1 1 3 1305 1 1 8 GLN H H 4.656 8.633 -7.367 1.00 . A A . 8 GLN H 1 1 3 1306 1 1 8 GLN HA H 3.746 5.928 -7.774 1.00 . A A . 8 GLN HA 1 1 3 1307 1 1 8 GLN HB2 H 2.764 8.283 -8.687 1.00 . A A . 8 GLN HB2 1 1 3 1308 1 1 8 GLN HB3 H 3.835 7.910 -10.024 1.00 . A A . 8 GLN HB3 1 1 3 1309 1 1 8 GLN HE21 H 0.259 7.961 -10.095 1.00 . A A . 8 GLN HE21 1 1 3 1310 1 1 8 GLN HE22 H 0.194 8.083 -11.822 1.00 . A A . 8 GLN HE22 1 1 3 1311 1 1 8 GLN HG2 H 2.712 5.493 -9.855 1.00 . A A . 8 GLN HG2 1 1 3 1312 1 1 8 GLN HG3 H 1.433 6.362 -9.030 1.00 . A A . 8 GLN HG3 1 1 3 1313 1 1 8 GLN N N 4.592 7.664 -7.129 1.00 . A A . 8 GLN N 1 1 3 1314 1 1 8 GLN NE2 N 0.628 7.727 -10.995 1.00 . A A . 8 GLN NE2 1 1 3 1315 1 1 8 GLN O O 5.485 5.322 -9.677 1.00 . A A . 8 GLN O 1 1 3 1316 1 1 8 GLN OE1 O 2.206 6.609 -12.148 1.00 . A A . 8 GLN OE1 1 1 3 1317 1 1 9 LEU C C 8.605 5.735 -8.501 1.00 . A A . 9 LEU C 1 1 3 1318 1 1 9 LEU CA C 7.854 6.744 -9.371 1.00 . A A . 9 LEU CA 1 1 3 1319 1 1 9 LEU CB C 8.648 8.019 -9.658 1.00 . A A . 9 LEU CB 1 1 3 1320 1 1 9 LEU CD1 C 10.895 8.908 -8.936 1.00 . A A . 9 LEU CD1 1 1 3 1321 1 1 9 LEU CD2 C 8.771 9.777 -7.854 1.00 . A A . 9 LEU CD2 1 1 3 1322 1 1 9 LEU CG C 9.470 8.575 -8.492 1.00 . A A . 9 LEU CG 1 1 3 1323 1 1 9 LEU H H 6.593 7.876 -8.159 1.00 . A A . 9 LEU H 1 1 3 1324 1 1 9 LEU HA H 7.637 6.277 -10.332 1.00 . A A . 9 LEU HA 1 1 3 1325 1 1 9 LEU HB2 H 9.323 7.824 -10.491 1.00 . A A . 9 LEU HB2 1 1 3 1326 1 1 9 LEU HB3 H 7.952 8.791 -9.986 1.00 . A A . 9 LEU HB3 1 1 3 1327 1 1 9 LEU HD11 H 10.948 9.958 -9.228 1.00 . A A . 9 LEU HD11 1 1 3 1328 1 1 9 LEU HD12 H 11.584 8.725 -8.111 1.00 . A A . 9 LEU HD12 1 1 3 1329 1 1 9 LEU HD13 H 11.168 8.280 -9.784 1.00 . A A . 9 LEU HD13 1 1 3 1330 1 1 9 LEU HD21 H 8.660 10.569 -8.595 1.00 . A A . 9 LEU HD21 1 1 3 1331 1 1 9 LEU HD22 H 7.788 9.476 -7.492 1.00 . A A . 9 LEU HD22 1 1 3 1332 1 1 9 LEU HD23 H 9.369 10.143 -7.019 1.00 . A A . 9 LEU HD23 1 1 3 1333 1 1 9 LEU HG H 9.542 7.801 -7.727 1.00 . A A . 9 LEU HG 1 1 3 1334 1 1 9 LEU N N 6.582 7.066 -8.745 1.00 . A A . 9 LEU N 1 1 3 1335 1 1 9 LEU O O 9.443 4.983 -8.998 1.00 . A A . 9 LEU O 1 1 3 1336 1 1 10 LYS C C 8.407 3.421 -6.520 1.00 . A A . 10 LYS C 1 1 3 1337 1 1 10 LYS CA C 8.911 4.844 -6.273 1.00 . A A . 10 LYS CA 1 1 3 1338 1 1 10 LYS CB C 8.697 5.332 -4.839 1.00 . A A . 10 LYS CB 1 1 3 1339 1 1 10 LYS CD C 9.742 5.539 -2.552 1.00 . A A . 10 LYS CD 1 1 3 1340 1 1 10 LYS CE C 11.041 5.908 -1.833 1.00 . A A . 10 LYS CE 1 1 3 1341 1 1 10 LYS CG C 9.996 5.253 -4.033 1.00 . A A . 10 LYS CG 1 1 3 1342 1 1 10 LYS H H 7.595 6.363 -6.821 1.00 . A A . 10 LYS H 1 1 3 1343 1 1 10 LYS HA H 9.983 4.869 -6.465 1.00 . A A . 10 LYS HA 1 1 3 1344 1 1 10 LYS HB2 H 8.333 6.359 -4.849 1.00 . A A . 10 LYS HB2 1 1 3 1345 1 1 10 LYS HB3 H 7.929 4.728 -4.355 1.00 . A A . 10 LYS HB3 1 1 3 1346 1 1 10 LYS HD2 H 9.024 6.354 -2.454 1.00 . A A . 10 LYS HD2 1 1 3 1347 1 1 10 LYS HD3 H 9.297 4.664 -2.080 1.00 . A A . 10 LYS HD3 1 1 3 1348 1 1 10 LYS HE2 H 11.525 5.005 -1.461 1.00 . A A . 10 LYS HE2 1 1 3 1349 1 1 10 LYS HE3 H 11.733 6.373 -2.535 1.00 . A A . 10 LYS HE3 1 1 3 1350 1 1 10 LYS HG2 H 10.439 4.263 -4.145 1.00 . A A . 10 LYS HG2 1 1 3 1351 1 1 10 LYS HG3 H 10.716 5.970 -4.427 1.00 . A A . 10 LYS HG3 1 1 3 1352 1 1 10 LYS HZ1 H 11.272 6.566 0.130 1.00 . A A . 10 LYS HZ1 1 1 3 1353 1 1 10 LYS HZ2 H 11.041 7.783 -0.926 1.00 . A A . 10 LYS HZ2 1 1 3 1354 1 1 10 LYS N N 8.277 5.749 -7.217 1.00 . A A . 10 LYS N 1 1 3 1355 1 1 10 LYS NZ N 10.769 6.832 -0.710 1.00 . A A . 10 LYS NZ 1 1 3 1356 1 1 10 LYS O O 9.064 2.452 -6.143 1.00 . A A . 10 LYS O 1 1 3 1357 1 1 11 CYS C C 7.346 1.473 -8.684 1.00 . A A . 11 CYS C 1 1 3 1358 1 1 11 CYS CA C 6.645 2.052 -7.453 1.00 . A A . 11 CYS CA 1 1 3 1359 1 1 11 CYS CB C 5.134 2.166 -7.658 1.00 . A A . 11 CYS CB 1 1 3 1360 1 1 11 CYS H H 6.716 4.134 -7.454 1.00 . A A . 11 CYS H 1 1 3 1361 1 1 11 CYS HA H 6.808 1.419 -6.581 1.00 . A A . 11 CYS HA 1 1 3 1362 1 1 11 CYS HB2 H 4.943 2.868 -8.470 1.00 . A A . 11 CYS HB2 1 1 3 1363 1 1 11 CYS HB3 H 4.750 1.197 -7.980 1.00 . A A . 11 CYS HB3 1 1 3 1364 1 1 11 CYS N N 7.245 3.341 -7.152 1.00 . A A . 11 CYS N 1 1 3 1365 1 1 11 CYS O O 7.563 0.265 -8.768 1.00 . A A . 11 CYS O 1 1 3 1366 1 1 11 CYS SG S 4.197 2.707 -6.183 1.00 . A A . 11 CYS SG 1 1 3 1367 1 1 12 ASN C C 9.813 1.621 -10.518 1.00 . A A . 12 ASN C 1 1 3 1368 1 1 12 ASN CA C 8.352 1.953 -10.830 1.00 . A A . 12 ASN CA 1 1 3 1369 1 1 12 ASN CB C 8.334 3.076 -11.870 1.00 . A A . 12 ASN CB 1 1 3 1370 1 1 12 ASN CG C 9.124 2.679 -13.118 1.00 . A A . 12 ASN CG 1 1 3 1371 1 1 12 ASN H H 7.500 3.342 -9.532 1.00 . A A . 12 ASN H 1 1 3 1372 1 1 12 ASN HA H 7.795 1.087 -11.188 1.00 . A A . 12 ASN HA 1 1 3 1373 1 1 12 ASN HB2 H 7.304 3.305 -12.144 1.00 . A A . 12 ASN HB2 1 1 3 1374 1 1 12 ASN HB3 H 8.759 3.982 -11.439 1.00 . A A . 12 ASN HB3 1 1 3 1375 1 1 12 ASN HD21 H 9.185 4.634 -13.644 1.00 . A A . 12 ASN HD21 1 1 3 1376 1 1 12 ASN HD22 H 9.973 3.548 -14.739 1.00 . A A . 12 ASN HD22 1 1 3 1377 1 1 12 ASN N N 7.681 2.362 -9.609 1.00 . A A . 12 ASN N 1 1 3 1378 1 1 12 ASN ND2 N 9.455 3.705 -13.898 1.00 . A A . 12 ASN ND2 1 1 3 1379 1 1 12 ASN O O 10.381 0.698 -11.098 1.00 . A A . 12 ASN O 1 1 3 1380 1 1 12 ASN OD1 O 9.415 1.519 -13.359 1.00 . A A . 12 ASN OD1 1 1 3 1381 1 1 13 ASN C C 11.868 0.915 -8.370 1.00 . A A . 13 ASN C 1 1 3 1382 1 1 13 ASN CA C 11.761 2.193 -9.205 1.00 . A A . 13 ASN CA 1 1 3 1383 1 1 13 ASN CB C 12.264 3.358 -8.351 1.00 . A A . 13 ASN CB 1 1 3 1384 1 1 13 ASN CG C 12.157 4.681 -9.111 1.00 . A A . 13 ASN CG 1 1 3 1385 1 1 13 ASN H H 9.909 3.142 -9.134 1.00 . A A . 13 ASN H 1 1 3 1386 1 1 13 ASN HA H 12.321 2.129 -10.138 1.00 . A A . 13 ASN HA 1 1 3 1387 1 1 13 ASN HB2 H 11.684 3.415 -7.429 1.00 . A A . 13 ASN HB2 1 1 3 1388 1 1 13 ASN HB3 H 13.301 3.183 -8.064 1.00 . A A . 13 ASN HB3 1 1 3 1389 1 1 13 ASN HD21 H 12.294 5.655 -7.341 1.00 . A A . 13 ASN HD21 1 1 3 1390 1 1 13 ASN HD22 H 12.136 6.670 -8.736 1.00 . A A . 13 ASN HD22 1 1 3 1391 1 1 13 ASN N N 10.378 2.393 -9.602 1.00 . A A . 13 ASN N 1 1 3 1392 1 1 13 ASN ND2 N 12.199 5.759 -8.331 1.00 . A A . 13 ASN ND2 1 1 3 1393 1 1 13 ASN O O 12.861 0.193 -8.458 1.00 . A A . 13 ASN O 1 1 3 1394 1 1 13 ASN OD1 O 12.044 4.723 -10.325 1.00 . A A . 13 ASN OD1 1 1 3 1395 1 1 14 HIS C C 10.532 -1.746 -7.586 1.00 . A A . 14 HIS C 1 1 3 1396 1 1 14 HIS CA C 10.798 -0.505 -6.732 1.00 . A A . 14 HIS CA 1 1 3 1397 1 1 14 HIS CB C 9.777 -0.332 -5.604 1.00 . A A . 14 HIS CB 1 1 3 1398 1 1 14 HIS CD2 C 8.133 -2.353 -5.387 1.00 . A A . 14 HIS CD2 1 1 3 1399 1 1 14 HIS CE1 C 9.166 -3.423 -3.782 1.00 . A A . 14 HIS CE1 1 1 3 1400 1 1 14 HIS CG C 9.244 -1.633 -5.054 1.00 . A A . 14 HIS CG 1 1 3 1401 1 1 14 HIS H H 10.030 1.265 -7.516 1.00 . A A . 14 HIS H 1 1 3 1402 1 1 14 HIS HA H 11.785 -0.593 -6.276 1.00 . A A . 14 HIS HA 1 1 3 1403 1 1 14 HIS HB2 H 10.240 0.230 -4.793 1.00 . A A . 14 HIS HB2 1 1 3 1404 1 1 14 HIS HB3 H 8.943 0.265 -5.971 1.00 . A A . 14 HIS HB3 1 1 3 1405 1 1 14 HIS HD1 H 10.719 -2.062 -3.579 1.00 . A A . 14 HIS HD1 1 1 3 1406 1 1 14 HIS HD2 H 7.408 -2.084 -6.154 1.00 . A A . 14 HIS HD2 1 1 3 1407 1 1 14 HIS HE1 H 9.403 -4.180 -3.034 1.00 . A A . 14 HIS HE1 1 1 3 1408 1 1 14 HIS N N 10.833 0.673 -7.580 1.00 . A A . 14 HIS N 1 1 3 1409 1 1 14 HIS ND1 N 9.873 -2.333 -4.039 1.00 . A A . 14 HIS ND1 1 1 3 1410 1 1 14 HIS NE2 N 8.089 -3.434 -4.618 1.00 . A A . 14 HIS NE2 1 1 3 1411 1 1 14 HIS O O 11.028 -2.830 -7.283 1.00 . A A . 14 HIS O 1 1 3 1412 1 1 15 CYS C C 10.641 -2.947 -10.395 1.00 . A A . 15 CYS C 1 1 3 1413 1 1 15 CYS CA C 9.413 -2.634 -9.537 1.00 . A A . 15 CYS CA 1 1 3 1414 1 1 15 CYS CB C 8.189 -2.301 -10.394 1.00 . A A . 15 CYS CB 1 1 3 1415 1 1 15 CYS H H 9.352 -0.660 -8.876 1.00 . A A . 15 CYS H 1 1 3 1416 1 1 15 CYS HA H 9.150 -3.487 -8.912 1.00 . A A . 15 CYS HA 1 1 3 1417 1 1 15 CYS HB2 H 8.351 -1.337 -10.875 1.00 . A A . 15 CYS HB2 1 1 3 1418 1 1 15 CYS HB3 H 8.106 -3.043 -11.188 1.00 . A A . 15 CYS HB3 1 1 3 1419 1 1 15 CYS N N 9.751 -1.545 -8.637 1.00 . A A . 15 CYS N 1 1 3 1420 1 1 15 CYS O O 10.849 -4.091 -10.793 1.00 . A A . 15 CYS O 1 1 3 1421 1 1 15 CYS SG S 6.606 -2.242 -9.480 1.00 . A A . 15 CYS SG 1 1 3 1422 1 1 16 LYS C C 13.749 -2.623 -10.582 1.00 . A A . 16 LYS C 1 1 3 1423 1 1 16 LYS CA C 12.625 -2.059 -11.455 1.00 . A A . 16 LYS CA 1 1 3 1424 1 1 16 LYS CB C 12.983 -0.737 -12.137 1.00 . A A . 16 LYS CB 1 1 3 1425 1 1 16 LYS CD C 14.082 1.486 -11.679 1.00 . A A . 16 LYS CD 1 1 3 1426 1 1 16 LYS CE C 15.173 1.860 -12.684 1.00 . A A . 16 LYS CE 1 1 3 1427 1 1 16 LYS CG C 14.100 -0.014 -11.382 1.00 . A A . 16 LYS CG 1 1 3 1428 1 1 16 LYS H H 11.248 -0.981 -10.325 1.00 . A A . 16 LYS H 1 1 3 1429 1 1 16 LYS HA H 12.404 -2.779 -12.243 1.00 . A A . 16 LYS HA 1 1 3 1430 1 1 16 LYS HB2 H 13.296 -0.926 -13.163 1.00 . A A . 16 LYS HB2 1 1 3 1431 1 1 16 LYS HB3 H 12.100 -0.099 -12.186 1.00 . A A . 16 LYS HB3 1 1 3 1432 1 1 16 LYS HD2 H 13.106 1.771 -12.075 1.00 . A A . 16 LYS HD2 1 1 3 1433 1 1 16 LYS HD3 H 14.226 2.046 -10.755 1.00 . A A . 16 LYS HD3 1 1 3 1434 1 1 16 LYS HE2 H 15.640 0.956 -13.075 1.00 . A A . 16 LYS HE2 1 1 3 1435 1 1 16 LYS HE3 H 14.732 2.383 -13.532 1.00 . A A . 16 LYS HE3 1 1 3 1436 1 1 16 LYS HG2 H 13.985 -0.177 -10.311 1.00 . A A . 16 LYS HG2 1 1 3 1437 1 1 16 LYS HG3 H 15.065 -0.432 -11.666 1.00 . A A . 16 LYS HG3 1 1 3 1438 1 1 16 LYS HZ1 H 15.908 3.688 -12.007 1.00 . A A . 16 LYS HZ1 1 1 3 1439 1 1 16 LYS HZ2 H 16.387 2.431 -11.089 1.00 . A A . 16 LYS HZ2 1 1 3 1440 1 1 16 LYS N N 11.423 -1.909 -10.652 1.00 . A A . 16 LYS N 1 1 3 1441 1 1 16 LYS NZ N 16.196 2.717 -12.043 1.00 . A A . 16 LYS NZ 1 1 3 1442 1 1 16 LYS O O 14.674 -3.257 -11.089 1.00 . A A . 16 LYS O 1 1 3 1443 1 1 17 SER C C 14.384 -4.326 -8.025 1.00 . A A . 17 SER C 1 1 3 1444 1 1 17 SER CA C 14.625 -2.848 -8.339 1.00 . A A . 17 SER CA 1 1 3 1445 1 1 17 SER CB C 14.599 -2.021 -7.053 1.00 . A A . 17 SER CB 1 1 3 1446 1 1 17 SER H H 12.876 -1.856 -8.883 1.00 . A A . 17 SER H 1 1 3 1447 1 1 17 SER HA H 15.585 -2.715 -8.837 1.00 . A A . 17 SER HA 1 1 3 1448 1 1 17 SER HB2 H 13.567 -1.790 -6.791 1.00 . A A . 17 SER HB2 1 1 3 1449 1 1 17 SER HB3 H 15.012 -2.611 -6.234 1.00 . A A . 17 SER HB3 1 1 3 1450 1 1 17 SER HG H 15.951 -0.864 -7.969 1.00 . A A . 17 SER HG 1 1 3 1451 1 1 17 SER N N 13.631 -2.372 -9.287 1.00 . A A . 17 SER N 1 1 3 1452 1 1 17 SER O O 15.330 -5.081 -7.811 1.00 . A A . 17 SER O 1 1 3 1453 1 1 17 SER OG O 15.338 -0.809 -7.182 1.00 . A A . 17 SER OG 1 1 3 1454 1 1 18 ILE C C 12.964 -6.924 -8.971 1.00 . A A . 18 ILE C 1 1 3 1455 1 1 18 ILE CA C 12.734 -6.068 -7.725 1.00 . A A . 18 ILE CA 1 1 3 1456 1 1 18 ILE CB C 11.301 -6.131 -7.192 1.00 . A A . 18 ILE CB 1 1 3 1457 1 1 18 ILE CD1 C 8.891 -5.584 -7.696 1.00 . A A . 18 ILE CD1 1 1 3 1458 1 1 18 ILE CG1 C 10.294 -5.757 -8.282 1.00 . A A . 18 ILE CG1 1 1 3 1459 1 1 18 ILE CG2 C 11.141 -5.263 -5.942 1.00 . A A . 18 ILE CG2 1 1 3 1460 1 1 18 ILE H H 12.347 -4.074 -8.185 1.00 . A A . 18 ILE H 1 1 3 1461 1 1 18 ILE HA H 13.388 -6.430 -6.932 1.00 . A A . 18 ILE HA 1 1 3 1462 1 1 18 ILE HB H 11.090 -7.159 -6.898 1.00 . A A . 18 ILE HB 1 1 3 1463 1 1 18 ILE HD11 H 8.148 -5.751 -8.477 1.00 . A A . 18 ILE HD11 1 1 3 1464 1 1 18 ILE HD12 H 8.741 -6.305 -6.892 1.00 . A A . 18 ILE HD12 1 1 3 1465 1 1 18 ILE HD13 H 8.783 -4.574 -7.303 1.00 . A A . 18 ILE HD13 1 1 3 1466 1 1 18 ILE HG12 H 10.605 -4.832 -8.768 1.00 . A A . 18 ILE HG12 1 1 3 1467 1 1 18 ILE HG13 H 10.279 -6.531 -9.049 1.00 . A A . 18 ILE HG13 1 1 3 1468 1 1 18 ILE HG21 H 10.341 -4.541 -6.102 1.00 . A A . 18 ILE HG21 1 1 3 1469 1 1 18 ILE HG22 H 10.896 -5.895 -5.090 1.00 . A A . 18 ILE HG22 1 1 3 1470 1 1 18 ILE HG23 H 12.074 -4.733 -5.747 1.00 . A A . 18 ILE HG23 1 1 3 1471 1 1 18 ILE N N 13.111 -4.695 -8.009 1.00 . A A . 18 ILE N 1 1 3 1472 1 1 18 ILE O O 13.705 -7.905 -8.928 1.00 . A A . 18 ILE O 1 1 3 1473 1 1 19 SER C C 11.140 -7.129 -12.109 1.00 . A A . 19 SER C 1 1 3 1474 1 1 19 SER CA C 12.440 -7.240 -11.312 1.00 . A A . 19 SER CA 1 1 3 1475 1 1 19 SER CB C 12.793 -8.710 -11.074 1.00 . A A . 19 SER CB 1 1 3 1476 1 1 19 SER H H 11.714 -5.724 -10.082 1.00 . A A . 19 SER H 1 1 3 1477 1 1 19 SER HA H 13.258 -6.752 -11.843 1.00 . A A . 19 SER HA 1 1 3 1478 1 1 19 SER HB2 H 12.332 -9.048 -10.146 1.00 . A A . 19 SER HB2 1 1 3 1479 1 1 19 SER HB3 H 12.375 -9.317 -11.877 1.00 . A A . 19 SER HB3 1 1 3 1480 1 1 19 SER HG H 14.543 -9.236 -11.890 1.00 . A A . 19 SER HG 1 1 3 1481 1 1 19 SER N N 12.315 -6.522 -10.055 1.00 . A A . 19 SER N 1 1 3 1482 1 1 19 SER O O 10.434 -8.119 -12.294 1.00 . A A . 19 SER O 1 1 3 1483 1 1 19 SER OG O 14.201 -8.917 -11.007 1.00 . A A . 19 SER OG 1 1 3 1484 1 1 20 CYS C C 9.928 -4.477 -14.268 1.00 . A A . 20 CYS C 1 1 3 1485 1 1 20 CYS CA C 9.659 -5.660 -13.336 1.00 . A A . 20 CYS CA 1 1 3 1486 1 1 20 CYS CB C 8.449 -5.413 -12.434 1.00 . A A . 20 CYS CB 1 1 3 1487 1 1 20 CYS H H 11.443 -5.114 -12.408 1.00 . A A . 20 CYS H 1 1 3 1488 1 1 20 CYS HA H 9.458 -6.566 -13.909 1.00 . A A . 20 CYS HA 1 1 3 1489 1 1 20 CYS HB2 H 8.803 -5.134 -11.442 1.00 . A A . 20 CYS HB2 1 1 3 1490 1 1 20 CYS HB3 H 7.891 -4.561 -12.824 1.00 . A A . 20 CYS HB3 1 1 3 1491 1 1 20 CYS N N 10.863 -5.914 -12.562 1.00 . A A . 20 CYS N 1 1 3 1492 1 1 20 CYS O O 11.053 -3.984 -14.343 1.00 . A A . 20 CYS O 1 1 3 1493 1 1 20 CYS SG S 7.309 -6.836 -12.272 1.00 . A A . 20 CYS SG 1 1 3 1494 1 1 21 ARG C C 8.654 -1.626 -15.166 1.00 . A A . 21 ARG C 1 1 3 1495 1 1 21 ARG CA C 8.986 -2.939 -15.878 1.00 . A A . 21 ARG CA 1 1 3 1496 1 1 21 ARG CB C 8.042 -3.116 -17.070 1.00 . A A . 21 ARG CB 1 1 3 1497 1 1 21 ARG CD C 8.319 -3.814 -19.478 1.00 . A A . 21 ARG CD 1 1 3 1498 1 1 21 ARG CG C 8.554 -4.204 -18.017 1.00 . A A . 21 ARG CG 1 1 3 1499 1 1 21 ARG CZ C 9.526 -2.457 -21.196 1.00 . A A . 21 ARG CZ 1 1 3 1500 1 1 21 ARG H H 7.965 -4.461 -14.888 1.00 . A A . 21 ARG H 1 1 3 1501 1 1 21 ARG HA H 10.023 -2.953 -16.212 1.00 . A A . 21 ARG HA 1 1 3 1502 1 1 21 ARG HB2 H 7.046 -3.377 -16.714 1.00 . A A . 21 ARG HB2 1 1 3 1503 1 1 21 ARG HB3 H 7.950 -2.174 -17.610 1.00 . A A . 21 ARG HB3 1 1 3 1504 1 1 21 ARG HD2 H 8.132 -4.707 -20.075 1.00 . A A . 21 ARG HD2 1 1 3 1505 1 1 21 ARG HD3 H 7.431 -3.187 -19.557 1.00 . A A . 21 ARG HD3 1 1 3 1506 1 1 21 ARG HE H 10.324 -3.070 -19.442 1.00 . A A . 21 ARG HE 1 1 3 1507 1 1 21 ARG HG2 H 9.617 -4.369 -17.847 1.00 . A A . 21 ARG HG2 1 1 3 1508 1 1 21 ARG HG3 H 8.047 -5.145 -17.802 1.00 . A A . 21 ARG HG3 1 1 3 1509 1 1 21 ARG HH11 H 7.604 -2.920 -21.707 1.00 . A A . 21 ARG HH11 1 1 3 1510 1 1 21 ARG HH12 H 8.468 -1.980 -22.877 1.00 . A A . 21 ARG HH12 1 1 3 1511 1 1 21 ARG HH21 H 10.737 -1.350 -22.432 1.00 . A A . 21 ARG HH21 1 1 3 1512 1 1 21 ARG N N 8.877 -4.055 -14.955 1.00 . A A . 21 ARG N 1 1 3 1513 1 1 21 ARG NE N 9.497 -3.091 -20.004 1.00 . A A . 21 ARG NE 1 1 3 1514 1 1 21 ARG NH1 N 8.438 -2.452 -21.996 1.00 . A A . 21 ARG NH1 1 1 3 1515 1 1 21 ARG NH2 N 10.634 -1.842 -21.567 1.00 . A A . 21 ARG NH2 1 1 3 1516 1 1 21 ARG O O 9.499 -0.736 -15.074 1.00 . A A . 21 ARG O 1 1 3 1517 1 1 22 ALA C C 5.603 -0.631 -13.352 1.00 . A A . 22 ALA C 1 1 3 1518 1 1 22 ALA CA C 6.972 -0.358 -13.978 1.00 . A A . 22 ALA CA 1 1 3 1519 1 1 22 ALA CB C 6.944 0.826 -14.946 1.00 . A A . 22 ALA CB 1 1 3 1520 1 1 22 ALA H H 6.744 -2.276 -14.759 1.00 . A A . 22 ALA H 1 1 3 1521 1 1 22 ALA HA H 7.690 -0.147 -13.185 1.00 . A A . 22 ALA HA 1 1 3 1522 1 1 22 ALA HB1 H 7.086 1.754 -14.390 1.00 . A A . 22 ALA HB1 1 1 3 1523 1 1 22 ALA HB2 H 7.745 0.716 -15.678 1.00 . A A . 22 ALA HB2 1 1 3 1524 1 1 22 ALA HB3 H 5.984 0.854 -15.459 1.00 . A A . 22 ALA HB3 1 1 3 1525 1 1 22 ALA N N 7.425 -1.547 -14.680 1.00 . A A . 22 ALA N 1 1 3 1526 1 1 22 ALA O O 4.799 -1.377 -13.909 1.00 . A A . 22 ALA O 1 1 3 1527 1 1 23 GLY C C 3.403 1.162 -11.330 1.00 . A A . 23 GLY C 1 1 3 1528 1 1 23 GLY CA C 4.122 -0.179 -11.493 1.00 . A A . 23 GLY CA 1 1 3 1529 1 1 23 GLY H H 6.040 0.593 -11.755 1.00 . A A . 23 GLY H 1 1 3 1530 1 1 23 GLY HA2 H 3.483 -0.874 -12.038 1.00 . A A . 23 GLY HA2 1 1 3 1531 1 1 23 GLY HA3 H 4.309 -0.618 -10.514 1.00 . A A . 23 GLY HA3 1 1 3 1532 1 1 23 GLY N N 5.380 -0.012 -12.202 1.00 . A A . 23 GLY N 1 1 3 1533 1 1 23 GLY O O 3.873 2.186 -11.823 1.00 . A A . 23 GLY O 1 1 3 1534 1 1 24 TYR C C 0.692 2.196 -9.099 1.00 . A A . 24 TYR C 1 1 3 1535 1 1 24 TYR CA C 1.487 2.309 -10.402 1.00 . A A . 24 TYR CA 1 1 3 1536 1 1 24 TYR CB C 0.509 2.407 -11.575 1.00 . A A . 24 TYR CB 1 1 3 1537 1 1 24 TYR CD1 C -1.492 1.164 -10.677 1.00 . A A . 24 TYR CD1 1 1 3 1538 1 1 24 TYR CD2 C -0.433 0.330 -12.650 1.00 . A A . 24 TYR CD2 1 1 3 1539 1 1 24 TYR CE1 C -2.447 0.087 -10.735 1.00 . A A . 24 TYR CE1 1 1 3 1540 1 1 24 TYR CE2 C -1.387 -0.746 -12.708 1.00 . A A . 24 TYR CE2 1 1 3 1541 1 1 24 TYR CG C -0.505 1.263 -11.636 1.00 . A A . 24 TYR CG 1 1 3 1542 1 1 24 TYR CZ C -2.348 -0.814 -11.747 1.00 . A A . 24 TYR CZ 1 1 3 1543 1 1 24 TYR H H 1.900 0.274 -10.239 1.00 . A A . 24 TYR H 1 1 3 1544 1 1 24 TYR HA H 2.172 3.153 -10.329 1.00 . A A . 24 TYR HA 1 1 3 1545 1 1 24 TYR HB2 H -0.029 3.352 -11.508 1.00 . A A . 24 TYR HB2 1 1 3 1546 1 1 24 TYR HB3 H 1.076 2.427 -12.506 1.00 . A A . 24 TYR HB3 1 1 3 1547 1 1 24 TYR HD1 H -1.549 1.900 -9.875 1.00 . A A . 24 TYR HD1 1 1 3 1548 1 1 24 TYR HD2 H 0.347 0.408 -13.408 1.00 . A A . 24 TYR HD2 1 1 3 1549 1 1 24 TYR HE1 H -3.232 -0.003 -9.983 1.00 . A A . 24 TYR HE1 1 1 3 1550 1 1 24 TYR HE2 H -1.342 -1.489 -13.504 1.00 . A A . 24 TYR HE2 1 1 3 1551 1 1 24 TYR HH H -4.077 -1.529 -12.274 1.00 . A A . 24 TYR HH 1 1 3 1552 1 1 24 TYR N N 2.275 1.111 -10.636 1.00 . A A . 24 TYR N 1 1 3 1553 1 1 24 TYR O O 0.578 1.112 -8.529 1.00 . A A . 24 TYR O 1 1 3 1554 1 1 24 TYR OH O -3.249 -1.831 -11.802 1.00 . A A . 24 TYR OH 1 1 3 1555 1 1 25 CYS C C -2.083 3.122 -7.796 1.00 . A A . 25 CYS C 1 1 3 1556 1 1 25 CYS CA C -0.617 3.373 -7.440 1.00 . A A . 25 CYS CA 1 1 3 1557 1 1 25 CYS CB C -0.429 4.696 -6.695 1.00 . A A . 25 CYS CB 1 1 3 1558 1 1 25 CYS H H 0.261 4.208 -9.134 1.00 . A A . 25 CYS H 1 1 3 1559 1 1 25 CYS HA H -0.234 2.580 -6.798 1.00 . A A . 25 CYS HA 1 1 3 1560 1 1 25 CYS HB2 H -0.962 5.479 -7.233 1.00 . A A . 25 CYS HB2 1 1 3 1561 1 1 25 CYS HB3 H -0.892 4.611 -5.712 1.00 . A A . 25 CYS HB3 1 1 3 1562 1 1 25 CYS N N 0.164 3.330 -8.665 1.00 . A A . 25 CYS N 1 1 3 1563 1 1 25 CYS O O -2.704 3.925 -8.491 1.00 . A A . 25 CYS O 1 1 3 1564 1 1 25 CYS SG S 1.313 5.214 -6.479 1.00 . A A . 25 CYS SG 1 1 3 1565 1 1 26 ASP C C -4.849 2.894 -7.533 1.00 . A A . 26 ASP C 1 1 3 1566 1 1 26 ASP CA C -3.977 1.636 -7.562 1.00 . A A . 26 ASP CA 1 1 3 1567 1 1 26 ASP CB C -4.501 0.674 -6.494 1.00 . A A . 26 ASP CB 1 1 3 1568 1 1 26 ASP CG C -5.078 -0.637 -7.031 1.00 . A A . 26 ASP CG 1 1 3 1569 1 1 26 ASP H H -2.084 1.355 -6.741 1.00 . A A . 26 ASP H 1 1 3 1570 1 1 26 ASP HA H -3.969 1.157 -8.541 1.00 . A A . 26 ASP HA 1 1 3 1571 1 1 26 ASP HB2 H -3.687 0.440 -5.808 1.00 . A A . 26 ASP HB2 1 1 3 1572 1 1 26 ASP HB3 H -5.270 1.182 -5.914 1.00 . A A . 26 ASP HB3 1 1 3 1573 1 1 26 ASP HD2 H -6.500 -1.495 -6.143 1.00 . A A . 26 ASP HD2 1 1 3 1574 1 1 26 ASP N N -2.595 2.003 -7.305 1.00 . A A . 26 ASP N 1 1 3 1575 1 1 26 ASP O O -5.235 3.360 -6.463 1.00 . A A . 26 ASP O 1 1 3 1576 1 1 26 ASP OD1 O -4.356 -1.466 -7.604 1.00 . A A . 26 ASP OD1 1 1 3 1577 1 1 26 ASP OD2 O -6.344 -0.794 -6.839 1.00 . A A . 26 ASP OD2 1 1 3 1578 1 1 27 ALA C C -7.354 4.309 -8.312 1.00 . A A . 27 ALA C 1 1 3 1579 1 1 27 ALA CA C -5.950 4.600 -8.846 1.00 . A A . 27 ALA CA 1 1 3 1580 1 1 27 ALA CB C -5.965 5.060 -10.305 1.00 . A A . 27 ALA CB 1 1 3 1581 1 1 27 ALA H H -4.813 3.020 -9.587 1.00 . A A . 27 ALA H 1 1 3 1582 1 1 27 ALA HA H -5.493 5.380 -8.237 1.00 . A A . 27 ALA HA 1 1 3 1583 1 1 27 ALA HB1 H -5.019 5.548 -10.541 1.00 . A A . 27 ALA HB1 1 1 3 1584 1 1 27 ALA HB2 H -6.101 4.197 -10.957 1.00 . A A . 27 ALA HB2 1 1 3 1585 1 1 27 ALA HB3 H -6.784 5.763 -10.457 1.00 . A A . 27 ALA HB3 1 1 3 1586 1 1 27 ALA N N -5.133 3.406 -8.722 1.00 . A A . 27 ALA N 1 1 3 1587 1 1 27 ALA O O -8.156 5.224 -8.132 1.00 . A A . 27 ALA O 1 1 3 1588 1 1 28 ALA C C -8.828 2.478 -6.043 1.00 . A A . 28 ALA C 1 1 3 1589 1 1 28 ALA CA C -8.902 2.608 -7.565 1.00 . A A . 28 ALA CA 1 1 3 1590 1 1 28 ALA CB C -9.314 1.298 -8.243 1.00 . A A . 28 ALA CB 1 1 3 1591 1 1 28 ALA H H -6.951 2.293 -8.224 1.00 . A A . 28 ALA H 1 1 3 1592 1 1 28 ALA HA H -9.629 3.379 -7.821 1.00 . A A . 28 ALA HA 1 1 3 1593 1 1 28 ALA HB1 H -9.159 1.381 -9.318 1.00 . A A . 28 ALA HB1 1 1 3 1594 1 1 28 ALA HB2 H -8.711 0.480 -7.850 1.00 . A A . 28 ALA HB2 1 1 3 1595 1 1 28 ALA HB3 H -10.368 1.102 -8.043 1.00 . A A . 28 ALA HB3 1 1 3 1596 1 1 28 ALA N N -7.609 3.030 -8.075 1.00 . A A . 28 ALA N 1 1 3 1597 1 1 28 ALA O O -9.810 2.111 -5.399 1.00 . A A . 28 ALA O 1 1 3 1598 1 1 29 THR C C -6.868 4.027 -3.551 1.00 . A A . 29 THR C 1 1 3 1599 1 1 29 THR CA C -7.440 2.709 -4.076 1.00 . A A . 29 THR CA 1 1 3 1600 1 1 29 THR CB C -6.542 1.502 -3.797 1.00 . A A . 29 THR CB 1 1 3 1601 1 1 29 THR CG2 C -5.073 1.893 -3.621 1.00 . A A . 29 THR CG2 1 1 3 1602 1 1 29 THR H H -6.862 3.084 -6.041 1.00 . A A . 29 THR H 1 1 3 1603 1 1 29 THR HA H -8.406 2.564 -3.591 1.00 . A A . 29 THR HA 1 1 3 1604 1 1 29 THR HB H -6.654 0.746 -4.574 1.00 . A A . 29 THR HB 1 1 3 1605 1 1 29 THR HG1 H -6.733 1.768 -1.822 1.00 . A A . 29 THR HG1 1 1 3 1606 1 1 29 THR HG21 H -4.901 2.869 -4.073 1.00 . A A . 29 THR HG21 1 1 3 1607 1 1 29 THR HG22 H -4.834 1.938 -2.559 1.00 . A A . 29 THR HG22 1 1 3 1608 1 1 29 THR HG23 H -4.440 1.151 -4.105 1.00 . A A . 29 THR HG23 1 1 3 1609 1 1 29 THR N N -7.655 2.786 -5.510 1.00 . A A . 29 THR N 1 1 3 1610 1 1 29 THR O O -6.232 4.055 -2.498 1.00 . A A . 29 THR O 1 1 3 1611 1 1 29 THR OG1 O -6.943 1.064 -2.501 1.00 . A A . 29 THR OG1 1 1 3 1612 1 1 30 LEU C C -5.106 6.431 -4.034 1.00 . A A . 30 LEU C 1 1 3 1613 1 1 30 LEU CA C -6.632 6.403 -3.931 1.00 . A A . 30 LEU CA 1 1 3 1614 1 1 30 LEU CB C -7.162 6.794 -2.550 1.00 . A A . 30 LEU CB 1 1 3 1615 1 1 30 LEU CD1 C -9.063 6.984 -0.904 1.00 . A A . 30 LEU CD1 1 1 3 1616 1 1 30 LEU CD2 C -9.451 7.473 -3.362 1.00 . A A . 30 LEU CD2 1 1 3 1617 1 1 30 LEU CG C -8.670 6.642 -2.342 1.00 . A A . 30 LEU CG 1 1 3 1618 1 1 30 LEU H H -7.634 5.054 -5.161 1.00 . A A . 30 LEU H 1 1 3 1619 1 1 30 LEU HA H -7.040 7.117 -4.646 1.00 . A A . 30 LEU HA 1 1 3 1620 1 1 30 LEU HB2 H -6.649 6.190 -1.802 1.00 . A A . 30 LEU HB2 1 1 3 1621 1 1 30 LEU HB3 H -6.892 7.833 -2.359 1.00 . A A . 30 LEU HB3 1 1 3 1622 1 1 30 LEU HD11 H -9.965 7.595 -0.909 1.00 . A A . 30 LEU HD11 1 1 3 1623 1 1 30 LEU HD12 H -9.252 6.063 -0.350 1.00 . A A . 30 LEU HD12 1 1 3 1624 1 1 30 LEU HD13 H -8.252 7.534 -0.427 1.00 . A A . 30 LEU HD13 1 1 3 1625 1 1 30 LEU HD21 H -8.890 8.376 -3.601 1.00 . A A . 30 LEU HD21 1 1 3 1626 1 1 30 LEU HD22 H -9.600 6.888 -4.270 1.00 . A A . 30 LEU HD22 1 1 3 1627 1 1 30 LEU HD23 H -10.419 7.745 -2.944 1.00 . A A . 30 LEU HD23 1 1 3 1628 1 1 30 LEU HG H -8.934 5.597 -2.508 1.00 . A A . 30 LEU HG 1 1 3 1629 1 1 30 LEU N N -7.115 5.086 -4.307 1.00 . A A . 30 LEU N 1 1 3 1630 1 1 30 LEU O O -4.435 7.036 -3.199 1.00 . A A . 30 LEU O 1 1 3 1631 1 1 31 TRP C C -2.487 5.496 -3.936 1.00 . A A . 31 TRP C 1 1 3 1632 1 1 31 TRP CA C -3.168 5.710 -5.289 1.00 . A A . 31 TRP CA 1 1 3 1633 1 1 31 TRP CB C -2.674 6.963 -6.015 1.00 . A A . 31 TRP CB 1 1 3 1634 1 1 31 TRP CD1 C -2.591 6.946 -8.595 1.00 . A A . 31 TRP CD1 1 1 3 1635 1 1 31 TRP CD2 C -4.578 7.500 -7.787 1.00 . A A . 31 TRP CD2 1 1 3 1636 1 1 31 TRP CE2 C -4.669 7.528 -9.164 1.00 . A A . 31 TRP CE2 1 1 3 1637 1 1 31 TRP CE3 C -5.682 7.807 -6.974 1.00 . A A . 31 TRP CE3 1 1 3 1638 1 1 31 TRP CG C -3.232 7.123 -7.432 1.00 . A A . 31 TRP CG 1 1 3 1639 1 1 31 TRP CH2 C -6.959 8.169 -9.058 1.00 . A A . 31 TRP CH2 1 1 3 1640 1 1 31 TRP CZ2 C -5.846 7.859 -9.848 1.00 . A A . 31 TRP CZ2 1 1 3 1641 1 1 31 TRP CZ3 C -6.851 8.135 -7.673 1.00 . A A . 31 TRP CZ3 1 1 3 1642 1 1 31 TRP H H -5.155 5.280 -5.740 1.00 . A A . 31 TRP H 1 1 3 1643 1 1 31 TRP HA H -2.967 4.864 -5.945 1.00 . A A . 31 TRP HA 1 1 3 1644 1 1 31 TRP HB2 H -2.946 7.841 -5.428 1.00 . A A . 31 TRP HB2 1 1 3 1645 1 1 31 TRP HB3 H -1.586 6.937 -6.065 1.00 . A A . 31 TRP HB3 1 1 3 1646 1 1 31 TRP HD1 H -1.544 6.653 -8.680 1.00 . A A . 31 TRP HD1 1 1 3 1647 1 1 31 TRP HE1 H -3.152 7.107 -10.724 1.00 . A A . 31 TRP HE1 1 1 3 1648 1 1 31 TRP HE3 H -5.636 7.792 -5.885 1.00 . A A . 31 TRP HE3 1 1 3 1649 1 1 31 TRP HH2 H -7.906 8.435 -9.527 1.00 . A A . 31 TRP HH2 1 1 3 1650 1 1 31 TRP HZ2 H -5.892 7.875 -10.937 1.00 . A A . 31 TRP HZ2 1 1 3 1651 1 1 31 TRP HZ3 H -7.737 8.383 -7.089 1.00 . A A . 31 TRP HZ3 1 1 3 1652 1 1 31 TRP N N -4.603 5.769 -5.066 1.00 . A A . 31 TRP N 1 1 3 1653 1 1 31 TRP NE1 N -3.422 7.181 -9.670 1.00 . A A . 31 TRP NE1 1 1 3 1654 1 1 31 TRP O O -1.878 6.416 -3.391 1.00 . A A . 31 TRP O 1 1 3 1655 1 1 32 LEU C C -1.132 2.695 -2.326 1.00 . A A . 32 LEU C 1 1 3 1656 1 1 32 LEU CA C -2.017 3.931 -2.152 1.00 . A A . 32 LEU CA 1 1 3 1657 1 1 32 LEU CB C -3.101 3.767 -1.084 1.00 . A A . 32 LEU CB 1 1 3 1658 1 1 32 LEU CD1 C -1.337 3.321 0.663 1.00 . A A . 32 LEU CD1 1 1 3 1659 1 1 32 LEU CD2 C -3.793 3.013 1.221 1.00 . A A . 32 LEU CD2 1 1 3 1660 1 1 32 LEU CG C -2.718 2.926 0.134 1.00 . A A . 32 LEU CG 1 1 3 1661 1 1 32 LEU H H -3.110 3.535 -3.882 1.00 . A A . 32 LEU H 1 1 3 1662 1 1 32 LEU HA H -1.389 4.767 -1.848 1.00 . A A . 32 LEU HA 1 1 3 1663 1 1 32 LEU HB2 H -3.396 4.758 -0.739 1.00 . A A . 32 LEU HB2 1 1 3 1664 1 1 32 LEU HB3 H -3.977 3.318 -1.550 1.00 . A A . 32 LEU HB3 1 1 3 1665 1 1 32 LEU HD11 H -1.449 3.869 1.598 1.00 . A A . 32 LEU HD11 1 1 3 1666 1 1 32 LEU HD12 H -0.744 2.423 0.836 1.00 . A A . 32 LEU HD12 1 1 3 1667 1 1 32 LEU HD13 H -0.835 3.952 -0.071 1.00 . A A . 32 LEU HD13 1 1 3 1668 1 1 32 LEU HD21 H -4.103 4.051 1.341 1.00 . A A . 32 LEU HD21 1 1 3 1669 1 1 32 LEU HD22 H -4.651 2.407 0.930 1.00 . A A . 32 LEU HD22 1 1 3 1670 1 1 32 LEU HD23 H -3.389 2.642 2.162 1.00 . A A . 32 LEU HD23 1 1 3 1671 1 1 32 LEU HG H -2.657 1.883 -0.175 1.00 . A A . 32 LEU HG 1 1 3 1672 1 1 32 LEU N N -2.613 4.278 -3.432 1.00 . A A . 32 LEU N 1 1 3 1673 1 1 32 LEU O O -0.016 2.649 -1.808 1.00 . A A . 32 LEU O 1 1 3 1674 1 1 33 ARG C C 0.177 0.727 -4.329 1.00 . A A . 33 ARG C 1 1 3 1675 1 1 33 ARG CA C -0.934 0.491 -3.302 1.00 . A A . 33 ARG CA 1 1 3 1676 1 1 33 ARG CB C -1.867 -0.607 -3.813 1.00 . A A . 33 ARG CB 1 1 3 1677 1 1 33 ARG CD C -1.290 -3.062 -3.837 1.00 . A A . 33 ARG CD 1 1 3 1678 1 1 33 ARG CG C -1.731 -1.878 -2.973 1.00 . A A . 33 ARG CG 1 1 3 1679 1 1 33 ARG CZ C -2.860 -4.787 -2.935 1.00 . A A . 33 ARG CZ 1 1 3 1680 1 1 33 ARG H H -2.569 1.770 -3.472 1.00 . A A . 33 ARG H 1 1 3 1681 1 1 33 ARG HA H -0.519 0.214 -2.333 1.00 . A A . 33 ARG HA 1 1 3 1682 1 1 33 ARG HB2 H -2.898 -0.256 -3.784 1.00 . A A . 33 ARG HB2 1 1 3 1683 1 1 33 ARG HB3 H -1.636 -0.829 -4.856 1.00 . A A . 33 ARG HB3 1 1 3 1684 1 1 33 ARG HD2 H -1.794 -3.025 -4.803 1.00 . A A . 33 ARG HD2 1 1 3 1685 1 1 33 ARG HD3 H -0.221 -3.001 -4.033 1.00 . A A . 33 ARG HD3 1 1 3 1686 1 1 33 ARG HE H -0.844 -4.894 -2.827 1.00 . A A . 33 ARG HE 1 1 3 1687 1 1 33 ARG HG2 H -1.005 -1.716 -2.176 1.00 . A A . 33 ARG HG2 1 1 3 1688 1 1 33 ARG HG3 H -2.683 -2.106 -2.495 1.00 . A A . 33 ARG HG3 1 1 3 1689 1 1 33 ARG HH11 H -3.793 -3.201 -3.823 1.00 . A A . 33 ARG HH11 1 1 3 1690 1 1 33 ARG HH12 H -4.853 -4.415 -3.187 1.00 . A A . 33 ARG HH12 1 1 3 1691 1 1 33 ARG HH21 H -3.919 -6.343 -2.113 1.00 . A A . 33 ARG HH21 1 1 3 1692 1 1 33 ARG N N -1.662 1.724 -3.055 1.00 . A A . 33 ARG N 1 1 3 1693 1 1 33 ARG NE N -1.607 -4.335 -3.151 1.00 . A A . 33 ARG NE 1 1 3 1694 1 1 33 ARG NH1 N -3.928 -4.073 -3.351 1.00 . A A . 33 ARG NH1 1 1 3 1695 1 1 33 ARG NH2 N -3.027 -5.938 -2.312 1.00 . A A . 33 ARG NH2 1 1 3 1696 1 1 33 ARG O O 0.323 1.833 -4.845 1.00 . A A . 33 ARG O 1 1 3 1697 1 1 34 CYS C C 2.036 -1.545 -6.367 1.00 . A A . 34 CYS C 1 1 3 1698 1 1 34 CYS CA C 2.020 -0.252 -5.549 1.00 . A A . 34 CYS CA 1 1 3 1699 1 1 34 CYS CB C 3.361 0.002 -4.856 1.00 . A A . 34 CYS CB 1 1 3 1700 1 1 34 CYS H H 0.803 -1.227 -4.168 1.00 . A A . 34 CYS H 1 1 3 1701 1 1 34 CYS HA H 1.817 0.608 -6.187 1.00 . A A . 34 CYS HA 1 1 3 1702 1 1 34 CYS HB2 H 3.307 -0.383 -3.838 1.00 . A A . 34 CYS HB2 1 1 3 1703 1 1 34 CYS HB3 H 4.134 -0.569 -5.371 1.00 . A A . 34 CYS HB3 1 1 3 1704 1 1 34 CYS N N 0.929 -0.331 -4.593 1.00 . A A . 34 CYS N 1 1 3 1705 1 1 34 CYS O O 2.755 -2.486 -6.033 1.00 . A A . 34 CYS O 1 1 3 1706 1 1 34 CYS SG S 3.873 1.757 -4.794 1.00 . A A . 34 CYS SG 1 1 3 1707 1 1 35 THR C C 2.245 -2.665 -9.355 1.00 . A A . 35 THR C 1 1 3 1708 1 1 35 THR CA C 1.148 -2.712 -8.290 1.00 . A A . 35 THR CA 1 1 3 1709 1 1 35 THR CB C -0.265 -2.761 -8.874 1.00 . A A . 35 THR CB 1 1 3 1710 1 1 35 THR CG2 C -0.269 -2.699 -10.403 1.00 . A A . 35 THR CG2 1 1 3 1711 1 1 35 THR H H 0.654 -0.780 -7.686 1.00 . A A . 35 THR H 1 1 3 1712 1 1 35 THR HA H 1.324 -3.604 -7.688 1.00 . A A . 35 THR HA 1 1 3 1713 1 1 35 THR HB H -0.889 -1.973 -8.452 1.00 . A A . 35 THR HB 1 1 3 1714 1 1 35 THR HG1 H -1.554 -4.276 -9.091 1.00 . A A . 35 THR HG1 1 1 3 1715 1 1 35 THR HG21 H 0.413 -3.452 -10.799 1.00 . A A . 35 THR HG21 1 1 3 1716 1 1 35 THR HG22 H -1.276 -2.892 -10.772 1.00 . A A . 35 THR HG22 1 1 3 1717 1 1 35 THR HG23 H 0.053 -1.710 -10.728 1.00 . A A . 35 THR HG23 1 1 3 1718 1 1 35 THR N N 1.235 -1.550 -7.422 1.00 . A A . 35 THR N 1 1 3 1719 1 1 35 THR O O 2.457 -1.631 -9.987 1.00 . A A . 35 THR O 1 1 3 1720 1 1 35 THR OG1 O -0.718 -4.079 -8.579 1.00 . A A . 35 THR OG1 1 1 3 1721 1 1 36 CYS C C 3.395 -4.455 -11.798 1.00 . A A . 36 CYS C 1 1 3 1722 1 1 36 CYS CA C 3.983 -3.899 -10.500 1.00 . A A . 36 CYS CA 1 1 3 1723 1 1 36 CYS CB C 5.141 -4.755 -9.984 1.00 . A A . 36 CYS CB 1 1 3 1724 1 1 36 CYS H H 2.734 -4.633 -9.003 1.00 . A A . 36 CYS H 1 1 3 1725 1 1 36 CYS HA H 4.366 -2.889 -10.650 1.00 . A A . 36 CYS HA 1 1 3 1726 1 1 36 CYS HB2 H 4.737 -5.682 -9.578 1.00 . A A . 36 CYS HB2 1 1 3 1727 1 1 36 CYS HB3 H 5.776 -5.026 -10.827 1.00 . A A . 36 CYS HB3 1 1 3 1728 1 1 36 CYS N N 2.913 -3.797 -9.522 1.00 . A A . 36 CYS N 1 1 3 1729 1 1 36 CYS O O 2.930 -5.592 -11.836 1.00 . A A . 36 CYS O 1 1 3 1730 1 1 36 CYS SG S 6.175 -3.956 -8.704 1.00 . A A . 36 CYS SG 1 1 3 1731 1 1 37 THR C C 4.053 -4.186 -15.135 1.00 . A A . 37 THR C 1 1 3 1732 1 1 37 THR CA C 2.914 -4.021 -14.129 1.00 . A A . 37 THR CA 1 1 3 1733 1 1 37 THR CB C 1.873 -2.983 -14.554 1.00 . A A . 37 THR CB 1 1 3 1734 1 1 37 THR CG2 C 0.894 -2.640 -13.430 1.00 . A A . 37 THR CG2 1 1 3 1735 1 1 37 THR H H 3.817 -2.702 -12.792 1.00 . A A . 37 THR H 1 1 3 1736 1 1 37 THR HA H 2.435 -4.994 -14.024 1.00 . A A . 37 THR HA 1 1 3 1737 1 1 37 THR HB H 1.342 -3.309 -15.449 1.00 . A A . 37 THR HB 1 1 3 1738 1 1 37 THR HG1 H 2.863 -1.395 -13.845 1.00 . A A . 37 THR HG1 1 1 3 1739 1 1 37 THR HG21 H 0.671 -1.573 -13.456 1.00 . A A . 37 THR HG21 1 1 3 1740 1 1 37 THR HG22 H -0.028 -3.206 -13.566 1.00 . A A . 37 THR HG22 1 1 3 1741 1 1 37 THR HG23 H 1.340 -2.895 -12.469 1.00 . A A . 37 THR HG23 1 1 3 1742 1 1 37 THR N N 3.436 -3.626 -12.832 1.00 . A A . 37 THR N 1 1 3 1743 1 1 37 THR O O 5.029 -3.437 -15.103 1.00 . A A . 37 THR O 1 1 3 1744 1 1 37 THR OG1 O 2.627 -1.788 -14.734 1.00 . A A . 37 THR OG1 1 1 3 1745 1 1 38 ASP C C 6.217 -5.815 -16.337 1.00 . A A . 38 ASP C 1 1 3 1746 1 1 38 ASP CA C 4.898 -5.446 -17.019 1.00 . A A . 38 ASP CA 1 1 3 1747 1 1 38 ASP CB C 5.146 -4.217 -17.894 1.00 . A A . 38 ASP CB 1 1 3 1748 1 1 38 ASP CG C 4.187 -4.060 -19.076 1.00 . A A . 38 ASP CG 1 1 3 1749 1 1 38 ASP H H 3.098 -5.778 -16.024 1.00 . A A . 38 ASP H 1 1 3 1750 1 1 38 ASP HA H 4.491 -6.266 -17.611 1.00 . A A . 38 ASP HA 1 1 3 1751 1 1 38 ASP HB2 H 5.079 -3.325 -17.271 1.00 . A A . 38 ASP HB2 1 1 3 1752 1 1 38 ASP HB3 H 6.165 -4.261 -18.277 1.00 . A A . 38 ASP HB3 1 1 3 1753 1 1 38 ASP HD2 H 5.281 -3.830 -20.592 1.00 . A A . 38 ASP HD2 1 1 3 1754 1 1 38 ASP N N 3.894 -5.173 -16.004 1.00 . A A . 38 ASP N 1 1 3 1755 1 1 38 ASP O O 6.670 -5.115 -15.434 1.00 . A A . 38 ASP O 1 1 3 1756 1 1 38 ASP OD1 O 3.066 -3.553 -18.925 1.00 . A A . 38 ASP OD1 1 1 3 1757 1 1 38 ASP OD2 O 4.638 -4.491 -20.205 1.00 . A A . 38 ASP OD2 1 1 3 1758 1 1 39 CYS C C 8.826 -8.108 -17.349 1.00 . A A . 39 CYS C 1 1 3 1759 1 1 39 CYS CA C 8.055 -7.384 -16.243 1.00 . A A . 39 CYS CA 1 1 3 1760 1 1 39 CYS CB C 7.837 -8.279 -15.021 1.00 . A A . 39 CYS CB 1 1 3 1761 1 1 39 CYS H H 6.422 -7.478 -17.533 1.00 . A A . 39 CYS H 1 1 3 1762 1 1 39 CYS HA H 8.598 -6.502 -15.906 1.00 . A A . 39 CYS HA 1 1 3 1763 1 1 39 CYS HB2 H 7.440 -9.237 -15.356 1.00 . A A . 39 CYS HB2 1 1 3 1764 1 1 39 CYS HB3 H 8.802 -8.478 -14.557 1.00 . A A . 39 CYS HB3 1 1 3 1765 1 1 39 CYS N N 6.797 -6.914 -16.797 1.00 . A A . 39 CYS N 1 1 3 1766 1 1 39 CYS O O 8.227 -8.657 -18.272 1.00 . A A . 39 CYS O 1 1 3 1767 1 1 39 CYS SG S 6.708 -7.588 -13.757 1.00 . A A . 39 CYS SG 1 1 3 1768 1 1 40 ASN C C 11.317 -10.157 -17.729 1.00 . A A . 40 ASN C 1 1 3 1769 1 1 40 ASN CA C 11.004 -8.733 -18.196 1.00 . A A . 40 ASN CA 1 1 3 1770 1 1 40 ASN CB C 12.329 -7.984 -18.346 1.00 . A A . 40 ASN CB 1 1 3 1771 1 1 40 ASN CG C 12.280 -7.017 -19.531 1.00 . A A . 40 ASN CG 1 1 3 1772 1 1 40 ASN H H 10.625 -7.638 -16.465 1.00 . A A . 40 ASN H 1 1 3 1773 1 1 40 ASN HA H 10.441 -8.715 -19.129 1.00 . A A . 40 ASN HA 1 1 3 1774 1 1 40 ASN HB2 H 12.545 -7.433 -17.431 1.00 . A A . 40 ASN HB2 1 1 3 1775 1 1 40 ASN HB3 H 13.141 -8.698 -18.488 1.00 . A A . 40 ASN HB3 1 1 3 1776 1 1 40 ASN HD21 H 13.708 -8.130 -20.437 1.00 . A A . 40 ASN HD21 1 1 3 1777 1 1 40 ASN HD22 H 13.161 -6.754 -21.335 1.00 . A A . 40 ASN HD22 1 1 3 1778 1 1 40 ASN N N 10.145 -8.086 -17.218 1.00 . A A . 40 ASN N 1 1 3 1779 1 1 40 ASN ND2 N 13.118 -7.326 -20.516 1.00 . A A . 40 ASN ND2 1 1 3 1780 1 1 40 ASN O O 12.440 -10.448 -17.320 1.00 . A A . 40 ASN O 1 1 3 1781 1 1 40 ASN OD1 O 11.530 -6.054 -19.550 1.00 . A A . 40 ASN OD1 1 1 3 1782 1 1 41 GLY C C 9.183 -13.192 -17.684 1.00 . A A . 41 GLY C 1 1 3 1783 1 1 41 GLY CA C 10.456 -12.394 -17.398 1.00 . A A . 41 GLY CA 1 1 3 1784 1 1 41 GLY H H 9.393 -10.763 -18.141 1.00 . A A . 41 GLY H 1 1 3 1785 1 1 41 GLY HA2 H 11.297 -12.841 -17.926 1.00 . A A . 41 GLY HA2 1 1 3 1786 1 1 41 GLY HA3 H 10.687 -12.439 -16.333 1.00 . A A . 41 GLY HA3 1 1 3 1787 1 1 41 GLY N N 10.303 -11.007 -17.807 1.00 . A A . 41 GLY N 1 1 3 1788 1 1 41 GLY O O 8.656 -13.866 -16.799 1.00 . A A . 41 GLY O 1 1 3 1789 1 1 42 LYS C C 6.364 -13.400 -18.421 1.00 . A A . 42 LYS C 1 1 3 1790 1 1 42 LYS CA C 7.524 -13.797 -19.336 1.00 . A A . 42 LYS CA 1 1 3 1791 1 1 42 LYS CB C 7.779 -15.305 -19.388 1.00 . A A . 42 LYS CB 1 1 3 1792 1 1 42 LYS CD C 7.367 -15.943 -21.792 1.00 . A A . 42 LYS CD 1 1 3 1793 1 1 42 LYS CE C 7.969 -16.652 -23.008 1.00 . A A . 42 LYS CE 1 1 3 1794 1 1 42 LYS CG C 8.427 -15.707 -20.715 1.00 . A A . 42 LYS CG 1 1 3 1795 1 1 42 LYS H H 9.159 -12.542 -19.637 1.00 . A A . 42 LYS H 1 1 3 1796 1 1 42 LYS HA H 7.289 -13.476 -20.352 1.00 . A A . 42 LYS HA 1 1 3 1797 1 1 42 LYS HB2 H 8.426 -15.597 -18.560 1.00 . A A . 42 LYS HB2 1 1 3 1798 1 1 42 LYS HB3 H 6.838 -15.841 -19.260 1.00 . A A . 42 LYS HB3 1 1 3 1799 1 1 42 LYS HD2 H 6.554 -16.544 -21.383 1.00 . A A . 42 LYS HD2 1 1 3 1800 1 1 42 LYS HD3 H 6.936 -14.991 -22.099 1.00 . A A . 42 LYS HD3 1 1 3 1801 1 1 42 LYS HE2 H 8.961 -17.031 -22.760 1.00 . A A . 42 LYS HE2 1 1 3 1802 1 1 42 LYS HE3 H 7.357 -17.512 -23.275 1.00 . A A . 42 LYS HE3 1 1 3 1803 1 1 42 LYS HG2 H 9.113 -14.926 -21.039 1.00 . A A . 42 LYS HG2 1 1 3 1804 1 1 42 LYS HG3 H 9.018 -16.613 -20.575 1.00 . A A . 42 LYS HG3 1 1 3 1805 1 1 42 LYS HZ1 H 8.192 -16.216 -25.033 1.00 . A A . 42 LYS HZ1 1 1 3 1806 1 1 42 LYS HZ2 H 7.220 -15.164 -24.258 1.00 . A A . 42 LYS HZ2 1 1 3 1807 1 1 42 LYS N N 8.725 -13.092 -18.922 1.00 . A A . 42 LYS N 1 1 3 1808 1 1 42 LYS NZ N 8.059 -15.724 -24.156 1.00 . A A . 42 LYS NZ 1 1 3 1809 1 1 42 LYS O O 5.931 -14.190 -17.584 1.00 . A A . 42 LYS O 1 1 3 1810 1 1 43 LYS C C 5.126 -11.826 -16.331 1.00 . A A . 43 LYS C 1 1 3 1811 1 1 43 LYS CA C 4.792 -11.665 -17.815 1.00 . A A . 43 LYS CA 1 1 3 1812 1 1 43 LYS CB C 3.478 -12.333 -18.225 1.00 . A A . 43 LYS CB 1 1 3 1813 1 1 43 LYS CD C 1.460 -11.817 -19.649 1.00 . A A . 43 LYS CD 1 1 3 1814 1 1 43 LYS CE C 1.049 -10.707 -20.617 1.00 . A A . 43 LYS CE 1 1 3 1815 1 1 43 LYS CG C 2.419 -11.287 -18.581 1.00 . A A . 43 LYS CG 1 1 3 1816 1 1 43 LYS H H 6.251 -11.541 -19.296 1.00 . A A . 43 LYS H 1 1 3 1817 1 1 43 LYS HA H 4.696 -10.602 -18.035 1.00 . A A . 43 LYS HA 1 1 3 1818 1 1 43 LYS HB2 H 3.649 -12.987 -19.080 1.00 . A A . 43 LYS HB2 1 1 3 1819 1 1 43 LYS HB3 H 3.115 -12.961 -17.412 1.00 . A A . 43 LYS HB3 1 1 3 1820 1 1 43 LYS HD2 H 1.938 -12.627 -20.201 1.00 . A A . 43 LYS HD2 1 1 3 1821 1 1 43 LYS HD3 H 0.575 -12.236 -19.172 1.00 . A A . 43 LYS HD3 1 1 3 1822 1 1 43 LYS HE2 H 0.176 -10.182 -20.229 1.00 . A A . 43 LYS HE2 1 1 3 1823 1 1 43 LYS HE3 H 1.851 -9.973 -20.700 1.00 . A A . 43 LYS HE3 1 1 3 1824 1 1 43 LYS HG2 H 1.858 -11.014 -17.687 1.00 . A A . 43 LYS HG2 1 1 3 1825 1 1 43 LYS HG3 H 2.905 -10.380 -18.942 1.00 . A A . 43 LYS HG3 1 1 3 1826 1 1 43 LYS HZ1 H 0.708 -12.283 -21.938 1.00 . A A . 43 LYS HZ1 1 1 3 1827 1 1 43 LYS HZ2 H -0.152 -10.949 -22.303 1.00 . A A . 43 LYS HZ2 1 1 3 1828 1 1 43 LYS N N 5.894 -12.177 -18.613 1.00 . A A . 43 LYS N 1 1 3 1829 1 1 43 LYS NZ N 0.743 -11.270 -21.952 1.00 . A A . 43 LYS NZ 1 1 3 1830 1 1 43 LYS O O 5.195 -10.842 -15.597 1.00 . A A . 43 LYS O 1 1 4 1831 1 1 1 GLY C C 6.349 1.999 1.263 1.00 . A A . 1 GLY C 1 1 4 1832 1 1 1 GLY CA C 5.417 1.949 2.477 1.00 . A A . 1 GLY CA 1 1 4 1833 1 1 1 GLY H1 H 4.846 0.145 3.347 1.00 . A A . 1 GLY H1 1 1 4 1834 1 1 1 GLY HA2 H 4.380 1.984 2.144 1.00 . A A . 1 GLY HA2 1 1 4 1835 1 1 1 GLY HA3 H 5.582 2.827 3.101 1.00 . A A . 1 GLY HA3 1 1 4 1836 1 1 1 GLY N N 5.642 0.744 3.256 1.00 . A A . 1 GLY N 1 1 4 1837 1 1 1 GLY O O 7.508 2.393 1.382 1.00 . A A . 1 GLY O 1 1 4 1838 1 1 2 PHE C C 6.790 3.010 -1.629 1.00 . A A . 2 PHE C 1 1 4 1839 1 1 2 PHE CA C 6.574 1.587 -1.110 1.00 . A A . 2 PHE CA 1 1 4 1840 1 1 2 PHE CB C 5.761 0.800 -2.138 1.00 . A A . 2 PHE CB 1 1 4 1841 1 1 2 PHE CD1 C 6.972 -1.390 -2.036 1.00 . A A . 2 PHE CD1 1 1 4 1842 1 1 2 PHE CD2 C 4.650 -1.389 -1.642 1.00 . A A . 2 PHE CD2 1 1 4 1843 1 1 2 PHE CE1 C 7.005 -2.796 -1.844 1.00 . A A . 2 PHE CE1 1 1 4 1844 1 1 2 PHE CE2 C 4.683 -2.796 -1.448 1.00 . A A . 2 PHE CE2 1 1 4 1845 1 1 2 PHE CG C 5.796 -0.717 -1.931 1.00 . A A . 2 PHE CG 1 1 4 1846 1 1 2 PHE CZ C 5.859 -3.470 -1.554 1.00 . A A . 2 PHE CZ 1 1 4 1847 1 1 2 PHE H H 4.863 1.275 0.037 1.00 . A A . 2 PHE H 1 1 4 1848 1 1 2 PHE HA H 7.540 1.133 -0.886 1.00 . A A . 2 PHE HA 1 1 4 1849 1 1 2 PHE HB2 H 4.725 1.137 -2.102 1.00 . A A . 2 PHE HB2 1 1 4 1850 1 1 2 PHE HB3 H 6.137 1.028 -3.135 1.00 . A A . 2 PHE HB3 1 1 4 1851 1 1 2 PHE HD1 H 7.891 -0.850 -2.269 1.00 . A A . 2 PHE HD1 1 1 4 1852 1 1 2 PHE HD2 H 3.707 -0.850 -1.557 1.00 . A A . 2 PHE HD2 1 1 4 1853 1 1 2 PHE HE1 H 7.948 -3.337 -1.928 1.00 . A A . 2 PHE HE1 1 1 4 1854 1 1 2 PHE HE2 H 3.765 -3.336 -1.217 1.00 . A A . 2 PHE HE2 1 1 4 1855 1 1 2 PHE HZ H 5.884 -4.550 -1.406 1.00 . A A . 2 PHE HZ 1 1 4 1856 1 1 2 PHE N N 5.807 1.593 0.124 1.00 . A A . 2 PHE N 1 1 4 1857 1 1 2 PHE O O 7.652 3.242 -2.476 1.00 . A A . 2 PHE O 1 1 4 1858 1 1 3 GLY C C 4.704 5.975 -1.532 1.00 . A A . 3 GLY C 1 1 4 1859 1 1 3 GLY CA C 6.087 5.321 -1.498 1.00 . A A . 3 GLY CA 1 1 4 1860 1 1 3 GLY H H 5.296 3.730 -0.410 1.00 . A A . 3 GLY H 1 1 4 1861 1 1 3 GLY HA2 H 6.731 5.859 -0.803 1.00 . A A . 3 GLY HA2 1 1 4 1862 1 1 3 GLY HA3 H 6.550 5.390 -2.482 1.00 . A A . 3 GLY HA3 1 1 4 1863 1 1 3 GLY N N 5.994 3.926 -1.099 1.00 . A A . 3 GLY N 1 1 4 1864 1 1 3 GLY O O 4.534 7.100 -1.066 1.00 . A A . 3 GLY O 1 1 4 1865 1 1 4 CYS C C 1.734 5.626 -0.810 1.00 . A A . 4 CYS C 1 1 4 1866 1 1 4 CYS CA C 2.389 5.735 -2.189 1.00 . A A . 4 CYS CA 1 1 4 1867 1 1 4 CYS CB C 1.593 4.986 -3.259 1.00 . A A . 4 CYS CB 1 1 4 1868 1 1 4 CYS H H 3.897 4.326 -2.464 1.00 . A A . 4 CYS H 1 1 4 1869 1 1 4 CYS HA H 2.456 6.777 -2.504 1.00 . A A . 4 CYS HA 1 1 4 1870 1 1 4 CYS HB2 H 1.516 3.938 -2.969 1.00 . A A . 4 CYS HB2 1 1 4 1871 1 1 4 CYS HB3 H 0.578 5.384 -3.283 1.00 . A A . 4 CYS HB3 1 1 4 1872 1 1 4 CYS N N 3.751 5.241 -2.088 1.00 . A A . 4 CYS N 1 1 4 1873 1 1 4 CYS O O 2.075 4.742 -0.026 1.00 . A A . 4 CYS O 1 1 4 1874 1 1 4 CYS SG S 2.298 5.078 -4.945 1.00 . A A . 4 CYS SG 1 1 4 1875 1 1 5 PRO C C 1.523 8.650 -1.614 1.00 . A A . 5 PRO C 1 1 4 1876 1 1 5 PRO CA C 0.438 7.573 -1.534 1.00 . A A . 5 PRO CA 1 1 4 1877 1 1 5 PRO CB C -0.907 8.119 -1.085 1.00 . A A . 5 PRO CB 1 1 4 1878 1 1 5 PRO CD C 0.009 6.680 0.683 1.00 . A A . 5 PRO CD 1 1 4 1879 1 1 5 PRO CG C -1.049 7.727 0.377 1.00 . A A . 5 PRO CG 1 1 4 1880 1 1 5 PRO HA H 0.388 7.167 -2.446 1.00 . A A . 5 PRO HA 1 1 4 1881 1 1 5 PRO HB2 H -0.950 9.202 -1.205 1.00 . A A . 5 PRO HB2 1 1 4 1882 1 1 5 PRO HB3 H -1.717 7.700 -1.682 1.00 . A A . 5 PRO HB3 1 1 4 1883 1 1 5 PRO HD2 H 0.640 6.986 1.517 1.00 . A A . 5 PRO HD2 1 1 4 1884 1 1 5 PRO HD3 H -0.444 5.727 0.959 1.00 . A A . 5 PRO HD3 1 1 4 1885 1 1 5 PRO HG2 H -0.921 8.597 1.020 1.00 . A A . 5 PRO HG2 1 1 4 1886 1 1 5 PRO HG3 H -2.045 7.330 0.571 1.00 . A A . 5 PRO HG3 1 1 4 1887 1 1 5 PRO N N 0.781 6.561 -0.549 1.00 . A A . 5 PRO N 1 1 4 1888 1 1 5 PRO O O 2.255 8.872 -0.651 1.00 . A A . 5 PRO O 1 1 4 1889 1 1 6 GLY C C 3.929 9.746 -3.381 1.00 . A A . 6 GLY C 1 1 4 1890 1 1 6 GLY CA C 2.573 10.339 -2.991 1.00 . A A . 6 GLY CA 1 1 4 1891 1 1 6 GLY H H 0.991 9.105 -3.551 1.00 . A A . 6 GLY H 1 1 4 1892 1 1 6 GLY HA2 H 2.226 11.010 -3.776 1.00 . A A . 6 GLY HA2 1 1 4 1893 1 1 6 GLY HA3 H 2.681 10.936 -2.086 1.00 . A A . 6 GLY HA3 1 1 4 1894 1 1 6 GLY N N 1.591 9.291 -2.772 1.00 . A A . 6 GLY N 1 1 4 1895 1 1 6 GLY O O 4.919 9.933 -2.676 1.00 . A A . 6 GLY O 1 1 4 1896 1 1 7 ASN C C 4.784 7.296 -5.966 1.00 . A A . 7 ASN C 1 1 4 1897 1 1 7 ASN CA C 5.148 8.423 -4.998 1.00 . A A . 7 ASN CA 1 1 4 1898 1 1 7 ASN CB C 5.960 7.818 -3.852 1.00 . A A . 7 ASN CB 1 1 4 1899 1 1 7 ASN CG C 7.239 8.621 -3.603 1.00 . A A . 7 ASN CG 1 1 4 1900 1 1 7 ASN H H 3.120 8.896 -5.074 1.00 . A A . 7 ASN H 1 1 4 1901 1 1 7 ASN HA H 5.703 9.226 -5.483 1.00 . A A . 7 ASN HA 1 1 4 1902 1 1 7 ASN HB2 H 5.356 7.797 -2.945 1.00 . A A . 7 ASN HB2 1 1 4 1903 1 1 7 ASN HB3 H 6.216 6.785 -4.089 1.00 . A A . 7 ASN HB3 1 1 4 1904 1 1 7 ASN HD21 H 7.548 7.520 -1.932 1.00 . A A . 7 ASN HD21 1 1 4 1905 1 1 7 ASN HD22 H 8.749 8.725 -2.258 1.00 . A A . 7 ASN HD22 1 1 4 1906 1 1 7 ASN N N 3.930 9.044 -4.505 1.00 . A A . 7 ASN N 1 1 4 1907 1 1 7 ASN ND2 N 7.900 8.259 -2.507 1.00 . A A . 7 ASN ND2 1 1 4 1908 1 1 7 ASN O O 4.787 6.124 -5.591 1.00 . A A . 7 ASN O 1 1 4 1909 1 1 7 ASN OD1 O 7.601 9.510 -4.355 1.00 . A A . 7 ASN OD1 1 1 4 1910 1 1 8 GLN C C 5.360 6.262 -8.979 1.00 . A A . 8 GLN C 1 1 4 1911 1 1 8 GLN CA C 4.115 6.726 -8.220 1.00 . A A . 8 GLN CA 1 1 4 1912 1 1 8 GLN CB C 3.076 7.312 -9.177 1.00 . A A . 8 GLN CB 1 1 4 1913 1 1 8 GLN CD C 2.706 6.713 -11.599 1.00 . A A . 8 GLN CD 1 1 4 1914 1 1 8 GLN CG C 2.562 6.247 -10.149 1.00 . A A . 8 GLN CG 1 1 4 1915 1 1 8 GLN H H 4.480 8.643 -7.493 1.00 . A A . 8 GLN H 1 1 4 1916 1 1 8 GLN HA H 3.673 5.886 -7.684 1.00 . A A . 8 GLN HA 1 1 4 1917 1 1 8 GLN HB2 H 2.242 7.723 -8.609 1.00 . A A . 8 GLN HB2 1 1 4 1918 1 1 8 GLN HB3 H 3.516 8.137 -9.737 1.00 . A A . 8 GLN HB3 1 1 4 1919 1 1 8 GLN HE21 H 4.592 5.978 -11.599 1.00 . A A . 8 GLN HE21 1 1 4 1920 1 1 8 GLN HE22 H 4.082 6.710 -13.084 1.00 . A A . 8 GLN HE22 1 1 4 1921 1 1 8 GLN HG2 H 3.117 5.320 -10.004 1.00 . A A . 8 GLN HG2 1 1 4 1922 1 1 8 GLN HG3 H 1.516 6.029 -9.935 1.00 . A A . 8 GLN HG3 1 1 4 1923 1 1 8 GLN N N 4.480 7.689 -7.195 1.00 . A A . 8 GLN N 1 1 4 1924 1 1 8 GLN NE2 N 3.892 6.445 -12.138 1.00 . A A . 8 GLN NE2 1 1 4 1925 1 1 8 GLN O O 5.313 5.271 -9.707 1.00 . A A . 8 GLN O 1 1 4 1926 1 1 8 GLN OE1 O 1.799 7.277 -12.190 1.00 . A A . 8 GLN OE1 1 1 4 1927 1 1 9 LEU C C 8.494 5.708 -8.558 1.00 . A A . 9 LEU C 1 1 4 1928 1 1 9 LEU CA C 7.698 6.673 -9.439 1.00 . A A . 9 LEU CA 1 1 4 1929 1 1 9 LEU CB C 8.461 7.951 -9.797 1.00 . A A . 9 LEU CB 1 1 4 1930 1 1 9 LEU CD1 C 10.678 8.981 -9.180 1.00 . A A . 9 LEU CD1 1 1 4 1931 1 1 9 LEU CD2 C 8.551 9.743 -8.026 1.00 . A A . 9 LEU CD2 1 1 4 1932 1 1 9 LEU CG C 9.293 8.572 -8.674 1.00 . A A . 9 LEU CG 1 1 4 1933 1 1 9 LEU H H 6.473 7.802 -8.188 1.00 . A A . 9 LEU H 1 1 4 1934 1 1 9 LEU HA H 7.456 6.169 -10.374 1.00 . A A . 9 LEU HA 1 1 4 1935 1 1 9 LEU HB2 H 9.123 7.732 -10.635 1.00 . A A . 9 LEU HB2 1 1 4 1936 1 1 9 LEU HB3 H 7.742 8.694 -10.145 1.00 . A A . 9 LEU HB3 1 1 4 1937 1 1 9 LEU HD11 H 10.970 8.330 -10.004 1.00 . A A . 9 LEU HD11 1 1 4 1938 1 1 9 LEU HD12 H 10.648 10.015 -9.526 1.00 . A A . 9 LEU HD12 1 1 4 1939 1 1 9 LEU HD13 H 11.402 8.890 -8.370 1.00 . A A . 9 LEU HD13 1 1 4 1940 1 1 9 LEU HD21 H 9.271 10.491 -7.694 1.00 . A A . 9 LEU HD21 1 1 4 1941 1 1 9 LEU HD22 H 7.873 10.190 -8.752 1.00 . A A . 9 LEU HD22 1 1 4 1942 1 1 9 LEU HD23 H 7.980 9.382 -7.170 1.00 . A A . 9 LEU HD23 1 1 4 1943 1 1 9 LEU HG H 9.441 7.818 -7.901 1.00 . A A . 9 LEU HG 1 1 4 1944 1 1 9 LEU N N 6.443 6.998 -8.782 1.00 . A A . 9 LEU N 1 1 4 1945 1 1 9 LEU O O 9.326 4.950 -9.057 1.00 . A A . 9 LEU O 1 1 4 1946 1 1 10 LYS C C 8.395 3.471 -6.481 1.00 . A A . 10 LYS C 1 1 4 1947 1 1 10 LYS CA C 8.893 4.908 -6.311 1.00 . A A . 10 LYS CA 1 1 4 1948 1 1 10 LYS CB C 8.730 5.450 -4.890 1.00 . A A . 10 LYS CB 1 1 4 1949 1 1 10 LYS CD C 10.088 5.536 -2.766 1.00 . A A . 10 LYS CD 1 1 4 1950 1 1 10 LYS CE C 11.494 5.694 -2.184 1.00 . A A . 10 LYS CE 1 1 4 1951 1 1 10 LYS CG C 10.089 5.792 -4.276 1.00 . A A . 10 LYS CG 1 1 4 1952 1 1 10 LYS H H 7.535 6.386 -6.868 1.00 . A A . 10 LYS H 1 1 4 1953 1 1 10 LYS HA H 9.957 4.935 -6.547 1.00 . A A . 10 LYS HA 1 1 4 1954 1 1 10 LYS HB2 H 8.101 6.340 -4.906 1.00 . A A . 10 LYS HB2 1 1 4 1955 1 1 10 LYS HB3 H 8.222 4.712 -4.271 1.00 . A A . 10 LYS HB3 1 1 4 1956 1 1 10 LYS HD2 H 9.408 6.232 -2.277 1.00 . A A . 10 LYS HD2 1 1 4 1957 1 1 10 LYS HD3 H 9.717 4.531 -2.565 1.00 . A A . 10 LYS HD3 1 1 4 1958 1 1 10 LYS HE2 H 11.996 4.726 -2.164 1.00 . A A . 10 LYS HE2 1 1 4 1959 1 1 10 LYS HE3 H 12.088 6.348 -2.821 1.00 . A A . 10 LYS HE3 1 1 4 1960 1 1 10 LYS HG2 H 10.868 5.194 -4.748 1.00 . A A . 10 LYS HG2 1 1 4 1961 1 1 10 LYS HG3 H 10.328 6.838 -4.471 1.00 . A A . 10 LYS HG3 1 1 4 1962 1 1 10 LYS HZ1 H 10.582 5.970 -0.330 1.00 . A A . 10 LYS HZ1 1 1 4 1963 1 1 10 LYS HZ2 H 12.208 5.950 -0.242 1.00 . A A . 10 LYS HZ2 1 1 4 1964 1 1 10 LYS N N 8.213 5.767 -7.265 1.00 . A A . 10 LYS N 1 1 4 1965 1 1 10 LYS NZ N 11.427 6.252 -0.814 1.00 . A A . 10 LYS NZ 1 1 4 1966 1 1 10 LYS O O 9.083 2.523 -6.105 1.00 . A A . 10 LYS O 1 1 4 1967 1 1 11 CYS C C 7.274 1.418 -8.496 1.00 . A A . 11 CYS C 1 1 4 1968 1 1 11 CYS CA C 6.606 2.049 -7.273 1.00 . A A . 11 CYS CA 1 1 4 1969 1 1 11 CYS CB C 5.087 2.143 -7.437 1.00 . A A . 11 CYS CB 1 1 4 1970 1 1 11 CYS H H 6.650 4.130 -7.352 1.00 . A A . 11 CYS H 1 1 4 1971 1 1 11 CYS HA H 6.799 1.458 -6.378 1.00 . A A . 11 CYS HA 1 1 4 1972 1 1 11 CYS HB2 H 4.867 2.818 -8.265 1.00 . A A . 11 CYS HB2 1 1 4 1973 1 1 11 CYS HB3 H 4.705 1.160 -7.716 1.00 . A A . 11 CYS HB3 1 1 4 1974 1 1 11 CYS N N 7.204 3.355 -7.049 1.00 . A A . 11 CYS N 1 1 4 1975 1 1 11 CYS O O 7.544 0.218 -8.510 1.00 . A A . 11 CYS O 1 1 4 1976 1 1 11 CYS SG S 4.189 2.723 -5.952 1.00 . A A . 11 CYS SG 1 1 4 1977 1 1 12 ASN C C 9.633 1.503 -10.444 1.00 . A A . 12 ASN C 1 1 4 1978 1 1 12 ASN CA C 8.156 1.795 -10.716 1.00 . A A . 12 ASN CA 1 1 4 1979 1 1 12 ASN CB C 8.078 2.860 -11.811 1.00 . A A . 12 ASN CB 1 1 4 1980 1 1 12 ASN CG C 8.994 2.508 -12.986 1.00 . A A . 12 ASN CG 1 1 4 1981 1 1 12 ASN H H 7.301 3.230 -9.472 1.00 . A A . 12 ASN H 1 1 4 1982 1 1 12 ASN HA H 7.602 0.902 -11.007 1.00 . A A . 12 ASN HA 1 1 4 1983 1 1 12 ASN HB2 H 7.051 2.953 -12.162 1.00 . A A . 12 ASN HB2 1 1 4 1984 1 1 12 ASN HB3 H 8.364 3.829 -11.401 1.00 . A A . 12 ASN HB3 1 1 4 1985 1 1 12 ASN HD21 H 8.910 4.444 -13.571 1.00 . A A . 12 ASN HD21 1 1 4 1986 1 1 12 ASN HD22 H 9.876 3.409 -14.569 1.00 . A A . 12 ASN HD22 1 1 4 1987 1 1 12 ASN N N 7.524 2.255 -9.492 1.00 . A A . 12 ASN N 1 1 4 1988 1 1 12 ASN ND2 N 9.284 3.539 -13.774 1.00 . A A . 12 ASN ND2 1 1 4 1989 1 1 12 ASN O O 10.197 0.564 -11.005 1.00 . A A . 12 ASN O 1 1 4 1990 1 1 12 ASN OD1 O 9.410 1.375 -13.164 1.00 . A A . 12 ASN OD1 1 1 4 1991 1 1 13 ASN C C 11.791 0.880 -8.417 1.00 . A A . 13 ASN C 1 1 4 1992 1 1 13 ASN CA C 11.617 2.164 -9.229 1.00 . A A . 13 ASN CA 1 1 4 1993 1 1 13 ASN CB C 12.104 3.335 -8.373 1.00 . A A . 13 ASN CB 1 1 4 1994 1 1 13 ASN CG C 11.922 4.665 -9.107 1.00 . A A . 13 ASN CG 1 1 4 1995 1 1 13 ASN H H 9.750 3.084 -9.131 1.00 . A A . 13 ASN H 1 1 4 1996 1 1 13 ASN HA H 12.150 2.134 -10.180 1.00 . A A . 13 ASN HA 1 1 4 1997 1 1 13 ASN HB2 H 11.554 3.357 -7.432 1.00 . A A . 13 ASN HB2 1 1 4 1998 1 1 13 ASN HB3 H 13.156 3.195 -8.123 1.00 . A A . 13 ASN HB3 1 1 4 1999 1 1 13 ASN HD21 H 11.732 5.577 -7.310 1.00 . A A . 13 ASN HD21 1 1 4 2000 1 1 13 ASN HD22 H 11.612 6.621 -8.687 1.00 . A A . 13 ASN HD22 1 1 4 2001 1 1 13 ASN N N 10.217 2.323 -9.583 1.00 . A A . 13 ASN N 1 1 4 2002 1 1 13 ASN ND2 N 11.741 5.707 -8.301 1.00 . A A . 13 ASN ND2 1 1 4 2003 1 1 13 ASN O O 12.763 0.149 -8.605 1.00 . A A . 13 ASN O 1 1 4 2004 1 1 13 ASN OD1 O 11.946 4.739 -10.325 1.00 . A A . 13 ASN OD1 1 1 4 2005 1 1 14 HIS C C 10.588 -1.782 -7.540 1.00 . A A . 14 HIS C 1 1 4 2006 1 1 14 HIS CA C 10.870 -0.542 -6.691 1.00 . A A . 14 HIS CA 1 1 4 2007 1 1 14 HIS CB C 9.907 -0.398 -5.511 1.00 . A A . 14 HIS CB 1 1 4 2008 1 1 14 HIS CD2 C 8.181 -2.352 -5.323 1.00 . A A . 14 HIS CD2 1 1 4 2009 1 1 14 HIS CE1 C 9.255 -3.579 -3.864 1.00 . A A . 14 HIS CE1 1 1 4 2010 1 1 14 HIS CG C 9.343 -1.709 -5.015 1.00 . A A . 14 HIS CG 1 1 4 2011 1 1 14 HIS H H 10.047 1.242 -7.385 1.00 . A A . 14 HIS H 1 1 4 2012 1 1 14 HIS HA H 11.880 -0.608 -6.288 1.00 . A A . 14 HIS HA 1 1 4 2013 1 1 14 HIS HB2 H 10.425 0.096 -4.689 1.00 . A A . 14 HIS HB2 1 1 4 2014 1 1 14 HIS HB3 H 9.082 0.252 -5.804 1.00 . A A . 14 HIS HB3 1 1 4 2015 1 1 14 HIS HD1 H 10.882 -2.306 -3.671 1.00 . A A . 14 HIS HD1 1 1 4 2016 1 1 14 HIS HD2 H 7.422 -1.999 -6.022 1.00 . A A . 14 HIS HD2 1 1 4 2017 1 1 14 HIS HE1 H 9.500 -4.395 -3.185 1.00 . A A . 14 HIS HE1 1 1 4 2018 1 1 14 HIS N N 10.834 0.643 -7.533 1.00 . A A . 14 HIS N 1 1 4 2019 1 1 14 HIS ND1 N 9.998 -2.506 -4.093 1.00 . A A . 14 HIS ND1 1 1 4 2020 1 1 14 HIS NE2 N 8.129 -3.482 -4.628 1.00 . A A . 14 HIS NE2 1 1 4 2021 1 1 14 HIS O O 11.139 -2.852 -7.284 1.00 . A A . 14 HIS O 1 1 4 2022 1 1 15 CYS C C 10.564 -2.991 -10.325 1.00 . A A . 15 CYS C 1 1 4 2023 1 1 15 CYS CA C 9.367 -2.690 -9.420 1.00 . A A . 15 CYS CA 1 1 4 2024 1 1 15 CYS CB C 8.108 -2.369 -10.227 1.00 . A A . 15 CYS CB 1 1 4 2025 1 1 15 CYS H H 9.285 -0.725 -8.733 1.00 . A A . 15 CYS H 1 1 4 2026 1 1 15 CYS HA H 9.137 -3.547 -8.785 1.00 . A A . 15 CYS HA 1 1 4 2027 1 1 15 CYS HB2 H 8.253 -1.416 -10.736 1.00 . A A . 15 CYS HB2 1 1 4 2028 1 1 15 CYS HB3 H 7.985 -3.128 -10.999 1.00 . A A . 15 CYS HB3 1 1 4 2029 1 1 15 CYS N N 9.729 -1.599 -8.531 1.00 . A A . 15 CYS N 1 1 4 2030 1 1 15 CYS O O 10.739 -4.123 -10.772 1.00 . A A . 15 CYS O 1 1 4 2031 1 1 15 CYS SG S 6.567 -2.280 -9.243 1.00 . A A . 15 CYS SG 1 1 4 2032 1 1 16 LYS C C 13.675 -2.699 -10.588 1.00 . A A . 16 LYS C 1 1 4 2033 1 1 16 LYS CA C 12.532 -2.097 -11.409 1.00 . A A . 16 LYS CA 1 1 4 2034 1 1 16 LYS CB C 12.883 -0.759 -12.064 1.00 . A A . 16 LYS CB 1 1 4 2035 1 1 16 LYS CD C 14.100 1.401 -11.603 1.00 . A A . 16 LYS CD 1 1 4 2036 1 1 16 LYS CE C 15.209 1.800 -12.578 1.00 . A A . 16 LYS CE 1 1 4 2037 1 1 16 LYS CG C 14.087 -0.111 -11.377 1.00 . A A . 16 LYS CG 1 1 4 2038 1 1 16 LYS H H 11.207 -1.040 -10.198 1.00 . A A . 16 LYS H 1 1 4 2039 1 1 16 LYS HA H 12.279 -2.791 -12.210 1.00 . A A . 16 LYS HA 1 1 4 2040 1 1 16 LYS HB2 H 13.102 -0.913 -13.120 1.00 . A A . 16 LYS HB2 1 1 4 2041 1 1 16 LYS HB3 H 12.025 -0.088 -12.011 1.00 . A A . 16 LYS HB3 1 1 4 2042 1 1 16 LYS HD2 H 13.134 1.722 -11.995 1.00 . A A . 16 LYS HD2 1 1 4 2043 1 1 16 LYS HD3 H 14.243 1.915 -10.652 1.00 . A A . 16 LYS HD3 1 1 4 2044 1 1 16 LYS HE2 H 16.160 1.384 -12.245 1.00 . A A . 16 LYS HE2 1 1 4 2045 1 1 16 LYS HE3 H 15.004 1.382 -13.563 1.00 . A A . 16 LYS HE3 1 1 4 2046 1 1 16 LYS HG2 H 14.057 -0.323 -10.308 1.00 . A A . 16 LYS HG2 1 1 4 2047 1 1 16 LYS HG3 H 15.008 -0.549 -11.761 1.00 . A A . 16 LYS HG3 1 1 4 2048 1 1 16 LYS HZ1 H 14.495 3.685 -13.106 1.00 . A A . 16 LYS HZ1 1 1 4 2049 1 1 16 LYS HZ2 H 15.409 3.706 -11.758 1.00 . A A . 16 LYS HZ2 1 1 4 2050 1 1 16 LYS N N 11.357 -1.958 -10.566 1.00 . A A . 16 LYS N 1 1 4 2051 1 1 16 LYS NZ N 15.312 3.274 -12.671 1.00 . A A . 16 LYS NZ 1 1 4 2052 1 1 16 LYS O O 14.559 -3.355 -11.137 1.00 . A A . 16 LYS O 1 1 4 2053 1 1 17 SER C C 14.392 -4.445 -8.100 1.00 . A A . 17 SER C 1 1 4 2054 1 1 17 SER CA C 14.639 -2.962 -8.386 1.00 . A A . 17 SER CA 1 1 4 2055 1 1 17 SER CB C 14.665 -2.167 -7.079 1.00 . A A . 17 SER CB 1 1 4 2056 1 1 17 SER H H 12.897 -1.917 -8.850 1.00 . A A . 17 SER H 1 1 4 2057 1 1 17 SER HA H 15.584 -2.825 -8.912 1.00 . A A . 17 SER HA 1 1 4 2058 1 1 17 SER HB2 H 13.660 -1.810 -6.851 1.00 . A A . 17 SER HB2 1 1 4 2059 1 1 17 SER HB3 H 14.965 -2.823 -6.262 1.00 . A A . 17 SER HB3 1 1 4 2060 1 1 17 SER HG H 16.226 -1.111 -6.405 1.00 . A A . 17 SER HG 1 1 4 2061 1 1 17 SER N N 13.619 -2.453 -9.287 1.00 . A A . 17 SER N 1 1 4 2062 1 1 17 SER O O 15.336 -5.212 -7.926 1.00 . A A . 17 SER O 1 1 4 2063 1 1 17 SER OG O 15.558 -1.057 -7.147 1.00 . A A . 17 SER OG 1 1 4 2064 1 1 18 ILE C C 12.922 -7.007 -9.075 1.00 . A A . 18 ILE C 1 1 4 2065 1 1 18 ILE CA C 12.733 -6.179 -7.802 1.00 . A A . 18 ILE CA 1 1 4 2066 1 1 18 ILE CB C 11.314 -6.242 -7.232 1.00 . A A . 18 ILE CB 1 1 4 2067 1 1 18 ILE CD1 C 8.899 -5.652 -7.655 1.00 . A A . 18 ILE CD1 1 1 4 2068 1 1 18 ILE CG1 C 10.283 -5.828 -8.283 1.00 . A A . 18 ILE CG1 1 1 4 2069 1 1 18 ILE CG2 C 11.199 -5.406 -5.956 1.00 . A A . 18 ILE CG2 1 1 4 2070 1 1 18 ILE H H 12.354 -4.171 -8.205 1.00 . A A . 18 ILE H 1 1 4 2071 1 1 18 ILE HA H 13.405 -6.565 -7.035 1.00 . A A . 18 ILE HA 1 1 4 2072 1 1 18 ILE HB H 11.100 -7.275 -6.960 1.00 . A A . 18 ILE HB 1 1 4 2073 1 1 18 ILE HD11 H 8.135 -5.739 -8.428 1.00 . A A . 18 ILE HD11 1 1 4 2074 1 1 18 ILE HD12 H 8.742 -6.422 -6.900 1.00 . A A . 18 ILE HD12 1 1 4 2075 1 1 18 ILE HD13 H 8.834 -4.668 -7.190 1.00 . A A . 18 ILE HD13 1 1 4 2076 1 1 18 ILE HG12 H 10.593 -4.896 -8.756 1.00 . A A . 18 ILE HG12 1 1 4 2077 1 1 18 ILE HG13 H 10.236 -6.582 -9.069 1.00 . A A . 18 ILE HG13 1 1 4 2078 1 1 18 ILE HG21 H 12.176 -4.998 -5.699 1.00 . A A . 18 ILE HG21 1 1 4 2079 1 1 18 ILE HG22 H 10.495 -4.589 -6.119 1.00 . A A . 18 ILE HG22 1 1 4 2080 1 1 18 ILE HG23 H 10.841 -6.036 -5.141 1.00 . A A . 18 ILE HG23 1 1 4 2081 1 1 18 ILE N N 13.116 -4.802 -8.063 1.00 . A A . 18 ILE N 1 1 4 2082 1 1 18 ILE O O 13.643 -8.003 -9.070 1.00 . A A . 18 ILE O 1 1 4 2083 1 1 19 SER C C 11.052 -7.052 -12.200 1.00 . A A . 19 SER C 1 1 4 2084 1 1 19 SER CA C 12.348 -7.251 -11.411 1.00 . A A . 19 SER CA 1 1 4 2085 1 1 19 SER CB C 12.626 -8.743 -11.216 1.00 . A A . 19 SER CB 1 1 4 2086 1 1 19 SER H H 11.677 -5.752 -10.128 1.00 . A A . 19 SER H 1 1 4 2087 1 1 19 SER HA H 13.187 -6.790 -11.931 1.00 . A A . 19 SER HA 1 1 4 2088 1 1 19 SER HB2 H 13.698 -8.898 -11.088 1.00 . A A . 19 SER HB2 1 1 4 2089 1 1 19 SER HB3 H 12.143 -9.085 -10.300 1.00 . A A . 19 SER HB3 1 1 4 2090 1 1 19 SER HG H 12.926 -9.750 -12.919 1.00 . A A . 19 SER HG 1 1 4 2091 1 1 19 SER N N 12.261 -6.564 -10.134 1.00 . A A . 19 SER N 1 1 4 2092 1 1 19 SER O O 10.300 -8.000 -12.416 1.00 . A A . 19 SER O 1 1 4 2093 1 1 19 SER OG O 12.162 -9.521 -12.316 1.00 . A A . 19 SER OG 1 1 4 2094 1 1 20 CYS C C 9.961 -4.270 -14.259 1.00 . A A . 20 CYS C 1 1 4 2095 1 1 20 CYS CA C 9.640 -5.476 -13.372 1.00 . A A . 20 CYS CA 1 1 4 2096 1 1 20 CYS CB C 8.442 -5.210 -12.459 1.00 . A A . 20 CYS CB 1 1 4 2097 1 1 20 CYS H H 11.449 -5.045 -12.431 1.00 . A A . 20 CYS H 1 1 4 2098 1 1 20 CYS HA H 9.399 -6.349 -13.978 1.00 . A A . 20 CYS HA 1 1 4 2099 1 1 20 CYS HB2 H 8.809 -4.873 -11.489 1.00 . A A . 20 CYS HB2 1 1 4 2100 1 1 20 CYS HB3 H 7.857 -4.391 -12.880 1.00 . A A . 20 CYS HB3 1 1 4 2101 1 1 20 CYS N N 10.832 -5.811 -12.611 1.00 . A A . 20 CYS N 1 1 4 2102 1 1 20 CYS O O 11.046 -3.698 -14.165 1.00 . A A . 20 CYS O 1 1 4 2103 1 1 20 CYS SG S 7.338 -6.647 -12.202 1.00 . A A . 20 CYS SG 1 1 4 2104 1 1 21 ARG C C 8.760 -1.493 -15.303 1.00 . A A . 21 ARG C 1 1 4 2105 1 1 21 ARG CA C 9.163 -2.794 -15.999 1.00 . A A . 21 ARG CA 1 1 4 2106 1 1 21 ARG CB C 8.318 -2.971 -17.263 1.00 . A A . 21 ARG CB 1 1 4 2107 1 1 21 ARG CD C 9.595 -3.145 -19.431 1.00 . A A . 21 ARG CD 1 1 4 2108 1 1 21 ARG CG C 9.001 -3.918 -18.251 1.00 . A A . 21 ARG CG 1 1 4 2109 1 1 21 ARG CZ C 9.771 -3.471 -21.904 1.00 . A A . 21 ARG CZ 1 1 4 2110 1 1 21 ARG H H 8.117 -4.392 -15.167 1.00 . A A . 21 ARG H 1 1 4 2111 1 1 21 ARG HA H 10.223 -2.792 -16.252 1.00 . A A . 21 ARG HA 1 1 4 2112 1 1 21 ARG HB2 H 7.337 -3.363 -16.997 1.00 . A A . 21 ARG HB2 1 1 4 2113 1 1 21 ARG HB3 H 8.156 -2.002 -17.735 1.00 . A A . 21 ARG HB3 1 1 4 2114 1 1 21 ARG HD2 H 9.095 -2.183 -19.534 1.00 . A A . 21 ARG HD2 1 1 4 2115 1 1 21 ARG HD3 H 10.649 -2.938 -19.246 1.00 . A A . 21 ARG HD3 1 1 4 2116 1 1 21 ARG HE H 9.079 -4.858 -20.606 1.00 . A A . 21 ARG HE 1 1 4 2117 1 1 21 ARG HG2 H 9.789 -4.475 -17.742 1.00 . A A . 21 ARG HG2 1 1 4 2118 1 1 21 ARG HG3 H 8.280 -4.650 -18.617 1.00 . A A . 21 ARG HG3 1 1 4 2119 1 1 21 ARG HH11 H 10.400 -1.636 -21.262 1.00 . A A . 21 ARG HH11 1 1 4 2120 1 1 21 ARG HH12 H 10.509 -1.893 -22.972 1.00 . A A . 21 ARG HH12 1 1 4 2121 1 1 21 ARG HH21 H 9.811 -3.995 -23.889 1.00 . A A . 21 ARG HH21 1 1 4 2122 1 1 21 ARG N N 8.997 -3.920 -15.097 1.00 . A A . 21 ARG N 1 1 4 2123 1 1 21 ARG NE N 9.445 -3.930 -20.677 1.00 . A A . 21 ARG NE 1 1 4 2124 1 1 21 ARG NH1 N 10.270 -2.226 -22.060 1.00 . A A . 21 ARG NH1 1 1 4 2125 1 1 21 ARG NH2 N 9.596 -4.258 -22.949 1.00 . A A . 21 ARG NH2 1 1 4 2126 1 1 21 ARG O O 9.576 -0.582 -15.161 1.00 . A A . 21 ARG O 1 1 4 2127 1 1 22 ALA C C 5.606 -0.593 -13.625 1.00 . A A . 22 ALA C 1 1 4 2128 1 1 22 ALA CA C 6.982 -0.271 -14.210 1.00 . A A . 22 ALA CA 1 1 4 2129 1 1 22 ALA CB C 6.940 0.906 -15.187 1.00 . A A . 22 ALA CB 1 1 4 2130 1 1 22 ALA H H 6.847 -2.191 -15.007 1.00 . A A . 22 ALA H 1 1 4 2131 1 1 22 ALA HA H 7.666 -0.027 -13.396 1.00 . A A . 22 ALA HA 1 1 4 2132 1 1 22 ALA HB1 H 7.949 1.119 -15.543 1.00 . A A . 22 ALA HB1 1 1 4 2133 1 1 22 ALA HB2 H 6.301 0.653 -16.033 1.00 . A A . 22 ALA HB2 1 1 4 2134 1 1 22 ALA HB3 H 6.540 1.785 -14.681 1.00 . A A . 22 ALA HB3 1 1 4 2135 1 1 22 ALA N N 7.504 -1.445 -14.888 1.00 . A A . 22 ALA N 1 1 4 2136 1 1 22 ALA O O 4.829 -1.334 -14.227 1.00 . A A . 22 ALA O 1 1 4 2137 1 1 23 GLY C C 3.311 1.078 -11.618 1.00 . A A . 23 GLY C 1 1 4 2138 1 1 23 GLY CA C 4.075 -0.238 -11.786 1.00 . A A . 23 GLY CA 1 1 4 2139 1 1 23 GLY H H 5.981 0.580 -11.976 1.00 . A A . 23 GLY H 1 1 4 2140 1 1 23 GLY HA2 H 3.472 -0.941 -12.359 1.00 . A A . 23 GLY HA2 1 1 4 2141 1 1 23 GLY HA3 H 4.249 -0.687 -10.809 1.00 . A A . 23 GLY HA3 1 1 4 2142 1 1 23 GLY N N 5.345 -0.021 -12.459 1.00 . A A . 23 GLY N 1 1 4 2143 1 1 23 GLY O O 3.511 2.017 -12.387 1.00 . A A . 23 GLY O 1 1 4 2144 1 1 24 TYR C C 0.844 2.112 -9.048 1.00 . A A . 24 TYR C 1 1 4 2145 1 1 24 TYR CA C 1.660 2.287 -10.331 1.00 . A A . 24 TYR CA 1 1 4 2146 1 1 24 TYR CB C 0.700 2.439 -11.513 1.00 . A A . 24 TYR CB 1 1 4 2147 1 1 24 TYR CD1 C -1.290 1.109 -10.719 1.00 . A A . 24 TYR CD1 1 1 4 2148 1 1 24 TYR CD2 C -0.196 0.421 -12.730 1.00 . A A . 24 TYR CD2 1 1 4 2149 1 1 24 TYR CE1 C -2.226 0.024 -10.857 1.00 . A A . 24 TYR CE1 1 1 4 2150 1 1 24 TYR CE2 C -1.132 -0.664 -12.868 1.00 . A A . 24 TYR CE2 1 1 4 2151 1 1 24 TYR CG C -0.294 1.285 -11.659 1.00 . A A . 24 TYR CG 1 1 4 2152 1 1 24 TYR CZ C -2.101 -0.809 -11.925 1.00 . A A . 24 TYR CZ 1 1 4 2153 1 1 24 TYR H H 2.298 0.334 -9.989 1.00 . A A . 24 TYR H 1 1 4 2154 1 1 24 TYR HA H 2.342 3.128 -10.208 1.00 . A A . 24 TYR HA 1 1 4 2155 1 1 24 TYR HB2 H 0.146 3.370 -11.401 1.00 . A A . 24 TYR HB2 1 1 4 2156 1 1 24 TYR HB3 H 1.282 2.522 -12.432 1.00 . A A . 24 TYR HB3 1 1 4 2157 1 1 24 TYR HD1 H -1.367 1.792 -9.874 1.00 . A A . 24 TYR HD1 1 1 4 2158 1 1 24 TYR HD2 H 0.590 0.560 -13.472 1.00 . A A . 24 TYR HD2 1 1 4 2159 1 1 24 TYR HE1 H -3.017 -0.127 -10.123 1.00 . A A . 24 TYR HE1 1 1 4 2160 1 1 24 TYR HE2 H -1.066 -1.355 -13.709 1.00 . A A . 24 TYR HE2 1 1 4 2161 1 1 24 TYR HH H -2.843 -2.503 -11.326 1.00 . A A . 24 TYR HH 1 1 4 2162 1 1 24 TYR N N 2.454 1.102 -10.609 1.00 . A A . 24 TYR N 1 1 4 2163 1 1 24 TYR O O 0.738 1.005 -8.522 1.00 . A A . 24 TYR O 1 1 4 2164 1 1 24 TYR OH O -2.985 -1.835 -12.055 1.00 . A A . 24 TYR OH 1 1 4 2165 1 1 25 CYS C C -1.971 2.972 -7.762 1.00 . A A . 25 CYS C 1 1 4 2166 1 1 25 CYS CA C -0.510 3.205 -7.368 1.00 . A A . 25 CYS CA 1 1 4 2167 1 1 25 CYS CB C -0.336 4.489 -6.556 1.00 . A A . 25 CYS CB 1 1 4 2168 1 1 25 CYS H H 0.383 4.117 -9.014 1.00 . A A . 25 CYS H 1 1 4 2169 1 1 25 CYS HA H -0.138 2.382 -6.758 1.00 . A A . 25 CYS HA 1 1 4 2170 1 1 25 CYS HB2 H -0.866 5.296 -7.062 1.00 . A A . 25 CYS HB2 1 1 4 2171 1 1 25 CYS HB3 H -0.811 4.356 -5.584 1.00 . A A . 25 CYS HB3 1 1 4 2172 1 1 25 CYS N N 0.292 3.221 -8.580 1.00 . A A . 25 CYS N 1 1 4 2173 1 1 25 CYS O O -2.551 3.763 -8.503 1.00 . A A . 25 CYS O 1 1 4 2174 1 1 25 CYS SG S 1.401 5.003 -6.296 1.00 . A A . 25 CYS SG 1 1 4 2175 1 1 26 ASP C C -4.750 2.810 -7.559 1.00 . A A . 26 ASP C 1 1 4 2176 1 1 26 ASP CA C -3.904 1.536 -7.535 1.00 . A A . 26 ASP CA 1 1 4 2177 1 1 26 ASP CB C -4.475 0.610 -6.460 1.00 . A A . 26 ASP CB 1 1 4 2178 1 1 26 ASP CG C -5.031 -0.718 -6.980 1.00 . A A . 26 ASP CG 1 1 4 2179 1 1 26 ASP H H -2.043 1.244 -6.644 1.00 . A A . 26 ASP H 1 1 4 2180 1 1 26 ASP HA H -3.878 1.035 -8.502 1.00 . A A . 26 ASP HA 1 1 4 2181 1 1 26 ASP HB2 H -3.692 0.398 -5.732 1.00 . A A . 26 ASP HB2 1 1 4 2182 1 1 26 ASP HB3 H -5.268 1.137 -5.930 1.00 . A A . 26 ASP HB3 1 1 4 2183 1 1 26 ASP HD2 H -6.633 -0.021 -7.685 1.00 . A A . 26 ASP HD2 1 1 4 2184 1 1 26 ASP N N -2.522 1.883 -7.247 1.00 . A A . 26 ASP N 1 1 4 2185 1 1 26 ASP O O -5.160 3.308 -6.511 1.00 . A A . 26 ASP O 1 1 4 2186 1 1 26 ASP OD1 O -4.277 -1.661 -7.260 1.00 . A A . 26 ASP OD1 1 1 4 2187 1 1 26 ASP OD2 O -6.315 -0.763 -7.094 1.00 . A A . 26 ASP OD2 1 1 4 2188 1 1 27 ALA C C -7.210 4.247 -8.472 1.00 . A A . 27 ALA C 1 1 4 2189 1 1 27 ALA CA C -5.778 4.509 -8.941 1.00 . A A . 27 ALA CA 1 1 4 2190 1 1 27 ALA CB C -5.715 4.954 -10.403 1.00 . A A . 27 ALA CB 1 1 4 2191 1 1 27 ALA H H -4.651 2.891 -9.613 1.00 . A A . 27 ALA H 1 1 4 2192 1 1 27 ALA HA H -5.338 5.287 -8.318 1.00 . A A . 27 ALA HA 1 1 4 2193 1 1 27 ALA HB1 H -6.514 5.669 -10.600 1.00 . A A . 27 ALA HB1 1 1 4 2194 1 1 27 ALA HB2 H -4.751 5.422 -10.599 1.00 . A A . 27 ALA HB2 1 1 4 2195 1 1 27 ALA HB3 H -5.837 4.086 -11.052 1.00 . A A . 27 ALA HB3 1 1 4 2196 1 1 27 ALA N N -4.988 3.302 -8.766 1.00 . A A . 27 ALA N 1 1 4 2197 1 1 27 ALA O O -8.010 5.175 -8.358 1.00 . A A . 27 ALA O 1 1 4 2198 1 1 28 ALA C C -8.807 2.452 -6.233 1.00 . A A . 28 ALA C 1 1 4 2199 1 1 28 ALA CA C -8.814 2.582 -7.758 1.00 . A A . 28 ALA CA 1 1 4 2200 1 1 28 ALA CB C -9.225 1.283 -8.453 1.00 . A A . 28 ALA CB 1 1 4 2201 1 1 28 ALA H H -6.836 2.229 -8.306 1.00 . A A . 28 ALA H 1 1 4 2202 1 1 28 ALA HA H -9.512 3.369 -8.044 1.00 . A A . 28 ALA HA 1 1 4 2203 1 1 28 ALA HB1 H -9.121 0.450 -7.756 1.00 . A A . 28 ALA HB1 1 1 4 2204 1 1 28 ALA HB2 H -10.262 1.357 -8.779 1.00 . A A . 28 ALA HB2 1 1 4 2205 1 1 28 ALA HB3 H -8.583 1.115 -9.317 1.00 . A A . 28 ALA HB3 1 1 4 2206 1 1 28 ALA N N -7.492 2.978 -8.212 1.00 . A A . 28 ALA N 1 1 4 2207 1 1 28 ALA O O -9.808 2.057 -5.637 1.00 . A A . 28 ALA O 1 1 4 2208 1 1 29 THR C C -6.955 4.030 -3.658 1.00 . A A . 29 THR C 1 1 4 2209 1 1 29 THR CA C -7.519 2.716 -4.205 1.00 . A A . 29 THR CA 1 1 4 2210 1 1 29 THR CB C -6.648 1.500 -3.882 1.00 . A A . 29 THR CB 1 1 4 2211 1 1 29 THR CG2 C -5.185 1.876 -3.635 1.00 . A A . 29 THR CG2 1 1 4 2212 1 1 29 THR H H -6.860 3.111 -6.140 1.00 . A A . 29 THR H 1 1 4 2213 1 1 29 THR HA H -8.506 2.584 -3.763 1.00 . A A . 29 THR HA 1 1 4 2214 1 1 29 THR HB H -6.729 0.745 -4.663 1.00 . A A . 29 THR HB 1 1 4 2215 1 1 29 THR HG1 H -7.115 0.069 -2.563 1.00 . A A . 29 THR HG1 1 1 4 2216 1 1 29 THR HG21 H -5.000 1.929 -2.562 1.00 . A A . 29 THR HG21 1 1 4 2217 1 1 29 THR HG22 H -4.537 1.122 -4.080 1.00 . A A . 29 THR HG22 1 1 4 2218 1 1 29 THR HG23 H -4.978 2.847 -4.087 1.00 . A A . 29 THR HG23 1 1 4 2219 1 1 29 THR N N -7.669 2.791 -5.647 1.00 . A A . 29 THR N 1 1 4 2220 1 1 29 THR O O -6.396 4.061 -2.563 1.00 . A A . 29 THR O 1 1 4 2221 1 1 29 THR OG1 O -7.115 1.068 -2.606 1.00 . A A . 29 THR OG1 1 1 4 2222 1 1 30 LEU C C -5.108 6.400 -4.092 1.00 . A A . 30 LEU C 1 1 4 2223 1 1 30 LEU CA C -6.637 6.394 -4.055 1.00 . A A . 30 LEU CA 1 1 4 2224 1 1 30 LEU CB C -7.222 6.800 -2.701 1.00 . A A . 30 LEU CB 1 1 4 2225 1 1 30 LEU CD1 C -9.121 6.719 -1.044 1.00 . A A . 30 LEU CD1 1 1 4 2226 1 1 30 LEU CD2 C -9.555 7.393 -3.451 1.00 . A A . 30 LEU CD2 1 1 4 2227 1 1 30 LEU CG C -8.715 6.531 -2.507 1.00 . A A . 30 LEU CG 1 1 4 2228 1 1 30 LEU H H -7.579 5.048 -5.335 1.00 . A A . 30 LEU H 1 1 4 2229 1 1 30 LEU HA H -7.003 7.110 -4.792 1.00 . A A . 30 LEU HA 1 1 4 2230 1 1 30 LEU HB2 H -6.674 6.275 -1.919 1.00 . A A . 30 LEU HB2 1 1 4 2231 1 1 30 LEU HB3 H -7.043 7.866 -2.555 1.00 . A A . 30 LEU HB3 1 1 4 2232 1 1 30 LEU HD11 H -10.144 7.091 -0.995 1.00 . A A . 30 LEU HD11 1 1 4 2233 1 1 30 LEU HD12 H -9.056 5.764 -0.523 1.00 . A A . 30 LEU HD12 1 1 4 2234 1 1 30 LEU HD13 H -8.451 7.437 -0.571 1.00 . A A . 30 LEU HD13 1 1 4 2235 1 1 30 LEU HD21 H -10.188 8.061 -2.866 1.00 . A A . 30 LEU HD21 1 1 4 2236 1 1 30 LEU HD22 H -8.896 7.983 -4.088 1.00 . A A . 30 LEU HD22 1 1 4 2237 1 1 30 LEU HD23 H -10.181 6.751 -4.071 1.00 . A A . 30 LEU HD23 1 1 4 2238 1 1 30 LEU HG H -8.910 5.489 -2.764 1.00 . A A . 30 LEU HG 1 1 4 2239 1 1 30 LEU N N -7.123 5.082 -4.447 1.00 . A A . 30 LEU N 1 1 4 2240 1 1 30 LEU O O -4.465 7.009 -3.239 1.00 . A A . 30 LEU O 1 1 4 2241 1 1 31 TRP C C -2.509 5.440 -3.862 1.00 . A A . 31 TRP C 1 1 4 2242 1 1 31 TRP CA C -3.127 5.633 -5.248 1.00 . A A . 31 TRP CA 1 1 4 2243 1 1 31 TRP CB C -2.585 6.862 -5.979 1.00 . A A . 31 TRP CB 1 1 4 2244 1 1 31 TRP CD1 C -2.394 6.777 -8.552 1.00 . A A . 31 TRP CD1 1 1 4 2245 1 1 31 TRP CD2 C -4.400 7.394 -7.844 1.00 . A A . 31 TRP CD2 1 1 4 2246 1 1 31 TRP CE2 C -4.433 7.389 -9.224 1.00 . A A . 31 TRP CE2 1 1 4 2247 1 1 31 TRP CE3 C -5.531 7.746 -7.086 1.00 . A A . 31 TRP CE3 1 1 4 2248 1 1 31 TRP CG C -3.079 6.997 -7.421 1.00 . A A . 31 TRP CG 1 1 4 2249 1 1 31 TRP CH2 C -6.709 8.081 -9.230 1.00 . A A . 31 TRP CH2 1 1 4 2250 1 1 31 TRP CZ2 C -5.572 7.728 -9.965 1.00 . A A . 31 TRP CZ2 1 1 4 2251 1 1 31 TRP CZ3 C -6.661 8.082 -7.842 1.00 . A A . 31 TRP CZ3 1 1 4 2252 1 1 31 TRP H H -5.099 5.221 -5.780 1.00 . A A . 31 TRP H 1 1 4 2253 1 1 31 TRP HA H -2.910 4.768 -5.876 1.00 . A A . 31 TRP HA 1 1 4 2254 1 1 31 TRP HB2 H -2.868 7.756 -5.424 1.00 . A A . 31 TRP HB2 1 1 4 2255 1 1 31 TRP HB3 H -1.496 6.821 -5.981 1.00 . A A . 31 TRP HB3 1 1 4 2256 1 1 31 TRP HD1 H -1.352 6.460 -8.586 1.00 . A A . 31 TRP HD1 1 1 4 2257 1 1 31 TRP HE1 H -2.860 6.896 -10.706 1.00 . A A . 31 TRP HE1 1 1 4 2258 1 1 31 TRP HE3 H -5.530 7.757 -5.996 1.00 . A A . 31 TRP HE3 1 1 4 2259 1 1 31 TRP HH2 H -7.631 8.356 -9.746 1.00 . A A . 31 TRP HH2 1 1 4 2260 1 1 31 TRP HZ2 H -5.571 7.716 -11.055 1.00 . A A . 31 TRP HZ2 1 1 4 2261 1 1 31 TRP HZ3 H -7.566 8.362 -7.302 1.00 . A A . 31 TRP HZ3 1 1 4 2262 1 1 31 TRP N N -4.569 5.714 -5.090 1.00 . A A . 31 TRP N 1 1 4 2263 1 1 31 TRP NE1 N -3.174 7.002 -9.667 1.00 . A A . 31 TRP NE1 1 1 4 2264 1 1 31 TRP O O -1.878 6.351 -3.328 1.00 . A A . 31 TRP O 1 1 4 2265 1 1 32 LEU C C -1.265 2.706 -2.116 1.00 . A A . 32 LEU C 1 1 4 2266 1 1 32 LEU CA C -2.183 3.926 -2.005 1.00 . A A . 32 LEU CA 1 1 4 2267 1 1 32 LEU CB C -3.320 3.749 -0.997 1.00 . A A . 32 LEU CB 1 1 4 2268 1 1 32 LEU CD1 C -1.568 3.243 0.744 1.00 . A A . 32 LEU CD1 1 1 4 2269 1 1 32 LEU CD2 C -4.029 3.169 1.353 1.00 . A A . 32 LEU CD2 1 1 4 2270 1 1 32 LEU CG C -2.987 2.939 0.257 1.00 . A A . 32 LEU CG 1 1 4 2271 1 1 32 LEU H H -3.227 3.514 -3.760 1.00 . A A . 32 LEU H 1 1 4 2272 1 1 32 LEU HA H -1.588 4.777 -1.674 1.00 . A A . 32 LEU HA 1 1 4 2273 1 1 32 LEU HB2 H -3.661 4.737 -0.687 1.00 . A A . 32 LEU HB2 1 1 4 2274 1 1 32 LEU HB3 H -4.157 3.268 -1.504 1.00 . A A . 32 LEU HB3 1 1 4 2275 1 1 32 LEU HD11 H -0.951 2.348 0.648 1.00 . A A . 32 LEU HD11 1 1 4 2276 1 1 32 LEU HD12 H -1.140 4.044 0.141 1.00 . A A . 32 LEU HD12 1 1 4 2277 1 1 32 LEU HD13 H -1.600 3.550 1.788 1.00 . A A . 32 LEU HD13 1 1 4 2278 1 1 32 LEU HD21 H -3.638 2.813 2.306 1.00 . A A . 32 LEU HD21 1 1 4 2279 1 1 32 LEU HD22 H -4.251 4.233 1.425 1.00 . A A . 32 LEU HD22 1 1 4 2280 1 1 32 LEU HD23 H -4.940 2.624 1.107 1.00 . A A . 32 LEU HD23 1 1 4 2281 1 1 32 LEU HG H -3.019 1.881 -0.002 1.00 . A A . 32 LEU HG 1 1 4 2282 1 1 32 LEU N N -2.713 4.249 -3.319 1.00 . A A . 32 LEU N 1 1 4 2283 1 1 32 LEU O O -0.206 2.663 -1.491 1.00 . A A . 32 LEU O 1 1 4 2284 1 1 33 ARG C C 0.202 0.777 -4.109 1.00 . A A . 33 ARG C 1 1 4 2285 1 1 33 ARG CA C -0.935 0.529 -3.115 1.00 . A A . 33 ARG CA 1 1 4 2286 1 1 33 ARG CB C -1.822 -0.604 -3.638 1.00 . A A . 33 ARG CB 1 1 4 2287 1 1 33 ARG CD C -2.975 -2.377 -2.264 1.00 . A A . 33 ARG CD 1 1 4 2288 1 1 33 ARG CG C -1.635 -1.873 -2.806 1.00 . A A . 33 ARG CG 1 1 4 2289 1 1 33 ARG CZ C -3.756 -3.676 -0.277 1.00 . A A . 33 ARG CZ 1 1 4 2290 1 1 33 ARG H H -2.566 1.788 -3.420 1.00 . A A . 33 ARG H 1 1 4 2291 1 1 33 ARG HA H -0.546 0.280 -2.129 1.00 . A A . 33 ARG HA 1 1 4 2292 1 1 33 ARG HB2 H -2.866 -0.295 -3.608 1.00 . A A . 33 ARG HB2 1 1 4 2293 1 1 33 ARG HB3 H -1.580 -0.808 -4.680 1.00 . A A . 33 ARG HB3 1 1 4 2294 1 1 33 ARG HD2 H -3.653 -1.537 -2.114 1.00 . A A . 33 ARG HD2 1 1 4 2295 1 1 33 ARG HD3 H -3.444 -3.040 -2.990 1.00 . A A . 33 ARG HD3 1 1 4 2296 1 1 33 ARG HE H -1.836 -3.148 -0.625 1.00 . A A . 33 ARG HE 1 1 4 2297 1 1 33 ARG HG2 H -1.172 -2.648 -3.418 1.00 . A A . 33 ARG HG2 1 1 4 2298 1 1 33 ARG HG3 H -0.955 -1.674 -1.978 1.00 . A A . 33 ARG HG3 1 1 4 2299 1 1 33 ARG HH11 H -5.250 -3.166 -1.572 1.00 . A A . 33 ARG HH11 1 1 4 2300 1 1 33 ARG HH12 H -5.759 -4.068 -0.185 1.00 . A A . 33 ARG HH12 1 1 4 2301 1 1 33 ARG HH21 H -4.128 -4.747 1.437 1.00 . A A . 33 ARG HH21 1 1 4 2302 1 1 33 ARG N N -1.704 1.745 -2.915 1.00 . A A . 33 ARG N 1 1 4 2303 1 1 33 ARG NE N -2.767 -3.093 -0.987 1.00 . A A . 33 ARG NE 1 1 4 2304 1 1 33 ARG NH1 N -5.032 -3.634 -0.716 1.00 . A A . 33 ARG NH1 1 1 4 2305 1 1 33 ARG NH2 N -3.456 -4.291 0.853 1.00 . A A . 33 ARG NH2 1 1 4 2306 1 1 33 ARG O O 0.308 1.863 -4.679 1.00 . A A . 33 ARG O 1 1 4 2307 1 1 34 CYS C C 2.188 -1.428 -6.047 1.00 . A A . 34 CYS C 1 1 4 2308 1 1 34 CYS CA C 2.149 -0.153 -5.202 1.00 . A A . 34 CYS CA 1 1 4 2309 1 1 34 CYS CB C 3.465 0.080 -4.458 1.00 . A A . 34 CYS CB 1 1 4 2310 1 1 34 CYS H H 0.930 -1.126 -3.821 1.00 . A A . 34 CYS H 1 1 4 2311 1 1 34 CYS HA H 1.970 0.721 -5.829 1.00 . A A . 34 CYS HA 1 1 4 2312 1 1 34 CYS HB2 H 3.335 -0.215 -3.418 1.00 . A A . 34 CYS HB2 1 1 4 2313 1 1 34 CYS HB3 H 4.226 -0.574 -4.883 1.00 . A A . 34 CYS HB3 1 1 4 2314 1 1 34 CYS N N 1.024 -0.247 -4.287 1.00 . A A . 34 CYS N 1 1 4 2315 1 1 34 CYS O O 2.905 -2.372 -5.719 1.00 . A A . 34 CYS O 1 1 4 2316 1 1 34 CYS SG S 4.079 1.803 -4.506 1.00 . A A . 34 CYS SG 1 1 4 2317 1 1 35 THR C C 2.490 -2.507 -9.025 1.00 . A A . 35 THR C 1 1 4 2318 1 1 35 THR CA C 1.346 -2.558 -8.012 1.00 . A A . 35 THR CA 1 1 4 2319 1 1 35 THR CB C -0.040 -2.576 -8.660 1.00 . A A . 35 THR CB 1 1 4 2320 1 1 35 THR CG2 C 0.021 -2.390 -10.178 1.00 . A A . 35 THR CG2 1 1 4 2321 1 1 35 THR H H 0.828 -0.643 -7.378 1.00 . A A . 35 THR H 1 1 4 2322 1 1 35 THR HA H 1.483 -3.464 -7.421 1.00 . A A . 35 THR HA 1 1 4 2323 1 1 35 THR HB H -0.693 -1.833 -8.203 1.00 . A A . 35 THR HB 1 1 4 2324 1 1 35 THR HG1 H -0.942 -4.021 -7.610 1.00 . A A . 35 THR HG1 1 1 4 2325 1 1 35 THR HG21 H 0.651 -3.166 -10.614 1.00 . A A . 35 THR HG21 1 1 4 2326 1 1 35 THR HG22 H -0.984 -2.461 -10.594 1.00 . A A . 35 THR HG22 1 1 4 2327 1 1 35 THR HG23 H 0.441 -1.410 -10.407 1.00 . A A . 35 THR HG23 1 1 4 2328 1 1 35 THR N N 1.409 -1.415 -7.118 1.00 . A A . 35 THR N 1 1 4 2329 1 1 35 THR O O 3.079 -1.450 -9.250 1.00 . A A . 35 THR O 1 1 4 2330 1 1 35 THR OG1 O -0.484 -3.920 -8.494 1.00 . A A . 35 THR OG1 1 1 4 2331 1 1 36 CYS C C 3.237 -4.294 -11.898 1.00 . A A . 36 CYS C 1 1 4 2332 1 1 36 CYS CA C 3.837 -3.762 -10.595 1.00 . A A . 36 CYS CA 1 1 4 2333 1 1 36 CYS CB C 4.988 -4.637 -10.097 1.00 . A A . 36 CYS CB 1 1 4 2334 1 1 36 CYS H H 2.290 -4.516 -9.422 1.00 . A A . 36 CYS H 1 1 4 2335 1 1 36 CYS HA H 4.230 -2.754 -10.734 1.00 . A A . 36 CYS HA 1 1 4 2336 1 1 36 CYS HB2 H 4.588 -5.609 -9.809 1.00 . A A . 36 CYS HB2 1 1 4 2337 1 1 36 CYS HB3 H 5.679 -4.808 -10.923 1.00 . A A . 36 CYS HB3 1 1 4 2338 1 1 36 CYS N N 2.773 -3.662 -9.611 1.00 . A A . 36 CYS N 1 1 4 2339 1 1 36 CYS O O 2.570 -5.327 -11.902 1.00 . A A . 36 CYS O 1 1 4 2340 1 1 36 CYS SG S 5.922 -3.946 -8.684 1.00 . A A . 36 CYS SG 1 1 4 2341 1 1 37 THR C C 4.146 -4.145 -15.263 1.00 . A A . 37 THR C 1 1 4 2342 1 1 37 THR CA C 2.990 -3.949 -14.279 1.00 . A A . 37 THR CA 1 1 4 2343 1 1 37 THR CB C 1.983 -2.888 -14.729 1.00 . A A . 37 THR CB 1 1 4 2344 1 1 37 THR CG2 C 0.631 -3.029 -14.027 1.00 . A A . 37 THR CG2 1 1 4 2345 1 1 37 THR H H 4.039 -2.723 -12.961 1.00 . A A . 37 THR H 1 1 4 2346 1 1 37 THR HA H 2.486 -4.910 -14.183 1.00 . A A . 37 THR HA 1 1 4 2347 1 1 37 THR HB H 1.863 -2.899 -15.812 1.00 . A A . 37 THR HB 1 1 4 2348 1 1 37 THR HG1 H 1.906 -0.908 -14.447 1.00 . A A . 37 THR HG1 1 1 4 2349 1 1 37 THR HG21 H 0.516 -4.050 -13.662 1.00 . A A . 37 THR HG21 1 1 4 2350 1 1 37 THR HG22 H 0.582 -2.335 -13.189 1.00 . A A . 37 THR HG22 1 1 4 2351 1 1 37 THR HG23 H -0.169 -2.805 -14.732 1.00 . A A . 37 THR HG23 1 1 4 2352 1 1 37 THR N N 3.495 -3.563 -12.973 1.00 . A A . 37 THR N 1 1 4 2353 1 1 37 THR O O 5.140 -3.422 -15.209 1.00 . A A . 37 THR O 1 1 4 2354 1 1 37 THR OG1 O 2.513 -1.668 -14.217 1.00 . A A . 37 THR OG1 1 1 4 2355 1 1 38 ASP C C 6.296 -5.806 -16.423 1.00 . A A . 38 ASP C 1 1 4 2356 1 1 38 ASP CA C 4.994 -5.425 -17.130 1.00 . A A . 38 ASP CA 1 1 4 2357 1 1 38 ASP CB C 5.275 -4.209 -18.014 1.00 . A A . 38 ASP CB 1 1 4 2358 1 1 38 ASP CG C 4.266 -3.981 -19.141 1.00 . A A . 38 ASP CG 1 1 4 2359 1 1 38 ASP H H 3.166 -5.709 -16.174 1.00 . A A . 38 ASP H 1 1 4 2360 1 1 38 ASP HA H 4.584 -6.245 -17.721 1.00 . A A . 38 ASP HA 1 1 4 2361 1 1 38 ASP HB2 H 5.302 -3.319 -17.385 1.00 . A A . 38 ASP HB2 1 1 4 2362 1 1 38 ASP HB3 H 6.268 -4.319 -18.454 1.00 . A A . 38 ASP HB3 1 1 4 2363 1 1 38 ASP HD2 H 5.457 -4.778 -20.363 1.00 . A A . 38 ASP HD2 1 1 4 2364 1 1 38 ASP N N 3.977 -5.126 -16.137 1.00 . A A . 38 ASP N 1 1 4 2365 1 1 38 ASP O O 6.841 -5.018 -15.651 1.00 . A A . 38 ASP O 1 1 4 2366 1 1 38 ASP OD1 O 3.326 -3.182 -19.005 1.00 . A A . 38 ASP OD1 1 1 4 2367 1 1 38 ASP OD2 O 4.474 -4.674 -20.209 1.00 . A A . 38 ASP OD2 1 1 4 2368 1 1 39 CYS C C 8.719 -8.357 -17.152 1.00 . A A . 39 CYS C 1 1 4 2369 1 1 39 CYS CA C 7.984 -7.510 -16.111 1.00 . A A . 39 CYS CA 1 1 4 2370 1 1 39 CYS CB C 7.709 -8.296 -14.826 1.00 . A A . 39 CYS CB 1 1 4 2371 1 1 39 CYS H H 6.307 -7.650 -17.338 1.00 . A A . 39 CYS H 1 1 4 2372 1 1 39 CYS HA H 8.574 -6.635 -15.837 1.00 . A A . 39 CYS HA 1 1 4 2373 1 1 39 CYS HB2 H 7.257 -9.251 -15.091 1.00 . A A . 39 CYS HB2 1 1 4 2374 1 1 39 CYS HB3 H 8.660 -8.517 -14.342 1.00 . A A . 39 CYS HB3 1 1 4 2375 1 1 39 CYS N N 6.756 -7.015 -16.710 1.00 . A A . 39 CYS N 1 1 4 2376 1 1 39 CYS O O 8.093 -8.947 -18.031 1.00 . A A . 39 CYS O 1 1 4 2377 1 1 39 CYS SG S 6.624 -7.446 -13.624 1.00 . A A . 39 CYS SG 1 1 4 2378 1 1 40 ASN C C 11.503 -10.325 -17.184 1.00 . A A . 40 ASN C 1 1 4 2379 1 1 40 ASN CA C 10.864 -9.154 -17.935 1.00 . A A . 40 ASN CA 1 1 4 2380 1 1 40 ASN CB C 11.989 -8.292 -18.511 1.00 . A A . 40 ASN CB 1 1 4 2381 1 1 40 ASN CG C 11.444 -7.285 -19.526 1.00 . A A . 40 ASN CG 1 1 4 2382 1 1 40 ASN H H 10.538 -7.906 -16.299 1.00 . A A . 40 ASN H 1 1 4 2383 1 1 40 ASN HA H 10.188 -9.483 -18.724 1.00 . A A . 40 ASN HA 1 1 4 2384 1 1 40 ASN HB2 H 12.496 -7.762 -17.705 1.00 . A A . 40 ASN HB2 1 1 4 2385 1 1 40 ASN HB3 H 12.732 -8.930 -18.990 1.00 . A A . 40 ASN HB3 1 1 4 2386 1 1 40 ASN HD21 H 13.030 -7.694 -20.714 1.00 . A A . 40 ASN HD21 1 1 4 2387 1 1 40 ASN HD22 H 11.919 -6.521 -21.339 1.00 . A A . 40 ASN HD22 1 1 4 2388 1 1 40 ASN N N 10.037 -8.389 -17.017 1.00 . A A . 40 ASN N 1 1 4 2389 1 1 40 ASN ND2 N 12.193 -7.156 -20.617 1.00 . A A . 40 ASN ND2 1 1 4 2390 1 1 40 ASN O O 12.677 -10.269 -16.825 1.00 . A A . 40 ASN O 1 1 4 2391 1 1 40 ASN OD1 O 10.410 -6.667 -19.332 1.00 . A A . 40 ASN OD1 1 1 4 2392 1 1 41 GLY C C 10.045 -13.560 -16.095 1.00 . A A . 41 GLY C 1 1 4 2393 1 1 41 GLY CA C 11.172 -12.539 -16.270 1.00 . A A . 41 GLY CA 1 1 4 2394 1 1 41 GLY H H 9.746 -11.394 -17.267 1.00 . A A . 41 GLY H 1 1 4 2395 1 1 41 GLY HA2 H 11.994 -12.992 -16.825 1.00 . A A . 41 GLY HA2 1 1 4 2396 1 1 41 GLY HA3 H 11.565 -12.255 -15.294 1.00 . A A . 41 GLY HA3 1 1 4 2397 1 1 41 GLY N N 10.700 -11.357 -16.971 1.00 . A A . 41 GLY N 1 1 4 2398 1 1 41 GLY O O 9.049 -13.281 -15.431 1.00 . A A . 41 GLY O 1 1 4 2399 1 1 42 LYS C C 9.536 -16.642 -15.388 1.00 . A A . 42 LYS C 1 1 4 2400 1 1 42 LYS CA C 9.254 -15.783 -16.623 1.00 . A A . 42 LYS CA 1 1 4 2401 1 1 42 LYS CB C 9.217 -16.579 -17.929 1.00 . A A . 42 LYS CB 1 1 4 2402 1 1 42 LYS CD C 10.518 -18.092 -19.470 1.00 . A A . 42 LYS CD 1 1 4 2403 1 1 42 LYS CE C 11.924 -18.597 -19.799 1.00 . A A . 42 LYS CE 1 1 4 2404 1 1 42 LYS CG C 10.486 -17.417 -18.097 1.00 . A A . 42 LYS CG 1 1 4 2405 1 1 42 LYS H H 11.056 -14.939 -17.241 1.00 . A A . 42 LYS H 1 1 4 2406 1 1 42 LYS HA H 8.278 -15.314 -16.502 1.00 . A A . 42 LYS HA 1 1 4 2407 1 1 42 LYS HB2 H 8.342 -17.231 -17.938 1.00 . A A . 42 LYS HB2 1 1 4 2408 1 1 42 LYS HB3 H 9.113 -15.897 -18.772 1.00 . A A . 42 LYS HB3 1 1 4 2409 1 1 42 LYS HD2 H 9.815 -18.924 -19.487 1.00 . A A . 42 LYS HD2 1 1 4 2410 1 1 42 LYS HD3 H 10.194 -17.385 -20.235 1.00 . A A . 42 LYS HD3 1 1 4 2411 1 1 42 LYS HE2 H 12.443 -17.870 -20.424 1.00 . A A . 42 LYS HE2 1 1 4 2412 1 1 42 LYS HE3 H 12.504 -18.700 -18.882 1.00 . A A . 42 LYS HE3 1 1 4 2413 1 1 42 LYS HG2 H 11.363 -16.782 -17.979 1.00 . A A . 42 LYS HG2 1 1 4 2414 1 1 42 LYS HG3 H 10.532 -18.175 -17.316 1.00 . A A . 42 LYS HG3 1 1 4 2415 1 1 42 LYS HZ1 H 12.650 -20.044 -21.112 1.00 . A A . 42 LYS HZ1 1 1 4 2416 1 1 42 LYS HZ2 H 11.843 -20.680 -19.848 1.00 . A A . 42 LYS HZ2 1 1 4 2417 1 1 42 LYS N N 10.242 -14.720 -16.702 1.00 . A A . 42 LYS N 1 1 4 2418 1 1 42 LYS NZ N 11.856 -19.901 -20.498 1.00 . A A . 42 LYS NZ 1 1 4 2419 1 1 42 LYS O O 10.662 -17.091 -15.183 1.00 . A A . 42 LYS O 1 1 4 2420 1 1 43 LYS C C 7.450 -18.635 -13.320 1.00 . A A . 43 LYS C 1 1 4 2421 1 1 43 LYS CA C 8.611 -17.642 -13.389 1.00 . A A . 43 LYS CA 1 1 4 2422 1 1 43 LYS CB C 8.719 -16.737 -12.159 1.00 . A A . 43 LYS CB 1 1 4 2423 1 1 43 LYS CD C 9.451 -16.832 -9.747 1.00 . A A . 43 LYS CD 1 1 4 2424 1 1 43 LYS CE C 9.768 -17.949 -8.753 1.00 . A A . 43 LYS CE 1 1 4 2425 1 1 43 LYS CG C 9.769 -17.265 -11.180 1.00 . A A . 43 LYS CG 1 1 4 2426 1 1 43 LYS H H 7.578 -16.476 -14.771 1.00 . A A . 43 LYS H 1 1 4 2427 1 1 43 LYS HA H 9.543 -18.203 -13.458 1.00 . A A . 43 LYS HA 1 1 4 2428 1 1 43 LYS HB2 H 8.982 -15.725 -12.469 1.00 . A A . 43 LYS HB2 1 1 4 2429 1 1 43 LYS HB3 H 7.752 -16.676 -11.662 1.00 . A A . 43 LYS HB3 1 1 4 2430 1 1 43 LYS HD2 H 10.029 -15.942 -9.496 1.00 . A A . 43 LYS HD2 1 1 4 2431 1 1 43 LYS HD3 H 8.398 -16.560 -9.672 1.00 . A A . 43 LYS HD3 1 1 4 2432 1 1 43 LYS HE2 H 10.579 -18.568 -9.137 1.00 . A A . 43 LYS HE2 1 1 4 2433 1 1 43 LYS HE3 H 10.114 -17.521 -7.812 1.00 . A A . 43 LYS HE3 1 1 4 2434 1 1 43 LYS HG2 H 9.807 -18.354 -11.234 1.00 . A A . 43 LYS HG2 1 1 4 2435 1 1 43 LYS HG3 H 10.755 -16.898 -11.464 1.00 . A A . 43 LYS HG3 1 1 4 2436 1 1 43 LYS HZ1 H 8.524 -19.575 -9.148 1.00 . A A . 43 LYS HZ1 1 1 4 2437 1 1 43 LYS HZ2 H 8.553 -19.164 -7.573 1.00 . A A . 43 LYS HZ2 1 1 4 2438 1 1 43 LYS N N 8.491 -16.845 -14.597 1.00 . A A . 43 LYS N 1 1 4 2439 1 1 43 LYS NZ N 8.570 -18.785 -8.513 1.00 . A A . 43 LYS NZ 1 1 4 2440 1 1 43 LYS O O 6.871 -18.847 -12.255 1.00 . A A . 43 LYS O 1 1 5 2441 1 1 1 GLY C C 4.490 1.284 -1.692 1.00 . A A . 1 GLY C 1 1 5 2442 1 1 1 GLY CA C 3.012 1.027 -1.392 1.00 . A A . 1 GLY CA 1 1 5 2443 1 1 1 GLY H1 H 3.187 -1.006 -1.809 1.00 . A A . 1 GLY H1 1 1 5 2444 1 1 1 GLY HA2 H 2.403 1.367 -2.229 1.00 . A A . 1 GLY HA2 1 1 5 2445 1 1 1 GLY HA3 H 2.708 1.609 -0.521 1.00 . A A . 1 GLY HA3 1 1 5 2446 1 1 1 GLY N N 2.767 -0.384 -1.149 1.00 . A A . 1 GLY N 1 1 5 2447 1 1 1 GLY O O 4.861 1.530 -2.839 1.00 . A A . 1 GLY O 1 1 5 2448 1 1 2 PHE C C 7.012 2.828 -1.347 1.00 . A A . 2 PHE C 1 1 5 2449 1 1 2 PHE CA C 6.724 1.437 -0.778 1.00 . A A . 2 PHE CA 1 1 5 2450 1 1 2 PHE CB C 7.249 0.381 -1.753 1.00 . A A . 2 PHE CB 1 1 5 2451 1 1 2 PHE CD1 C 9.117 -0.787 -0.563 1.00 . A A . 2 PHE CD1 1 1 5 2452 1 1 2 PHE CD2 C 7.138 -1.997 -0.975 1.00 . A A . 2 PHE CD2 1 1 5 2453 1 1 2 PHE CE1 C 9.681 -1.927 0.069 1.00 . A A . 2 PHE CE1 1 1 5 2454 1 1 2 PHE CE2 C 7.702 -3.136 -0.344 1.00 . A A . 2 PHE CE2 1 1 5 2455 1 1 2 PHE CG C 7.857 -0.846 -1.072 1.00 . A A . 2 PHE CG 1 1 5 2456 1 1 2 PHE CZ C 8.962 -3.077 0.165 1.00 . A A . 2 PHE CZ 1 1 5 2457 1 1 2 PHE H H 4.985 1.015 0.288 1.00 . A A . 2 PHE H 1 1 5 2458 1 1 2 PHE HA H 7.160 1.357 0.218 1.00 . A A . 2 PHE HA 1 1 5 2459 1 1 2 PHE HB2 H 6.432 0.059 -2.398 1.00 . A A . 2 PHE HB2 1 1 5 2460 1 1 2 PHE HB3 H 8.001 0.837 -2.396 1.00 . A A . 2 PHE HB3 1 1 5 2461 1 1 2 PHE HD1 H 9.694 0.134 -0.641 1.00 . A A . 2 PHE HD1 1 1 5 2462 1 1 2 PHE HD2 H 6.127 -2.043 -1.383 1.00 . A A . 2 PHE HD2 1 1 5 2463 1 1 2 PHE HE1 H 10.691 -1.880 0.477 1.00 . A A . 2 PHE HE1 1 1 5 2464 1 1 2 PHE HE2 H 7.125 -4.058 -0.266 1.00 . A A . 2 PHE HE2 1 1 5 2465 1 1 2 PHE HZ H 9.395 -3.952 0.650 1.00 . A A . 2 PHE HZ 1 1 5 2466 1 1 2 PHE N N 5.295 1.216 -0.641 1.00 . A A . 2 PHE N 1 1 5 2467 1 1 2 PHE O O 7.985 3.016 -2.075 1.00 . A A . 2 PHE O 1 1 5 2468 1 1 3 GLY C C 4.940 5.843 -1.525 1.00 . A A . 3 GLY C 1 1 5 2469 1 1 3 GLY CA C 6.296 5.136 -1.461 1.00 . A A . 3 GLY CA 1 1 5 2470 1 1 3 GLY H H 5.358 3.607 -0.402 1.00 . A A . 3 GLY H 1 1 5 2471 1 1 3 GLY HA2 H 6.964 5.680 -0.794 1.00 . A A . 3 GLY HA2 1 1 5 2472 1 1 3 GLY HA3 H 6.758 5.138 -2.448 1.00 . A A . 3 GLY HA3 1 1 5 2473 1 1 3 GLY N N 6.147 3.768 -0.994 1.00 . A A . 3 GLY N 1 1 5 2474 1 1 3 GLY O O 4.812 6.986 -1.085 1.00 . A A . 3 GLY O 1 1 5 2475 1 1 4 CYS C C 1.939 5.596 -0.835 1.00 . A A . 4 CYS C 1 1 5 2476 1 1 4 CYS CA C 2.624 5.683 -2.200 1.00 . A A . 4 CYS CA 1 1 5 2477 1 1 4 CYS CB C 1.821 4.967 -3.289 1.00 . A A . 4 CYS CB 1 1 5 2478 1 1 4 CYS H H 4.078 4.209 -2.429 1.00 . A A . 4 CYS H 1 1 5 2479 1 1 4 CYS HA H 2.737 6.722 -2.511 1.00 . A A . 4 CYS HA 1 1 5 2480 1 1 4 CYS HB2 H 2.289 4.003 -3.491 1.00 . A A . 4 CYS HB2 1 1 5 2481 1 1 4 CYS HB3 H 0.821 4.762 -2.908 1.00 . A A . 4 CYS HB3 1 1 5 2482 1 1 4 CYS N N 3.964 5.137 -2.074 1.00 . A A . 4 CYS N 1 1 5 2483 1 1 4 CYS O O 2.362 4.828 0.028 1.00 . A A . 4 CYS O 1 1 5 2484 1 1 4 CYS SG S 1.671 5.888 -4.863 1.00 . A A . 4 CYS SG 1 1 5 2485 1 1 5 PRO C C 1.368 8.494 -1.890 1.00 . A A . 5 PRO C 1 1 5 2486 1 1 5 PRO CA C 0.430 7.293 -1.751 1.00 . A A . 5 PRO CA 1 1 5 2487 1 1 5 PRO CB C -0.992 7.688 -1.384 1.00 . A A . 5 PRO CB 1 1 5 2488 1 1 5 PRO CD C 0.037 6.525 0.520 1.00 . A A . 5 PRO CD 1 1 5 2489 1 1 5 PRO CG C -1.135 7.396 0.101 1.00 . A A . 5 PRO CG 1 1 5 2490 1 1 5 PRO HA H 0.466 6.814 -2.628 1.00 . A A . 5 PRO HA 1 1 5 2491 1 1 5 PRO HB2 H -1.169 8.743 -1.594 1.00 . A A . 5 PRO HB2 1 1 5 2492 1 1 5 PRO HB3 H -1.718 7.121 -1.966 1.00 . A A . 5 PRO HB3 1 1 5 2493 1 1 5 PRO HD2 H 0.592 6.976 1.342 1.00 . A A . 5 PRO HD2 1 1 5 2494 1 1 5 PRO HD3 H -0.298 5.546 0.861 1.00 . A A . 5 PRO HD3 1 1 5 2495 1 1 5 PRO HG2 H -1.145 8.324 0.674 1.00 . A A . 5 PRO HG2 1 1 5 2496 1 1 5 PRO HG3 H -2.078 6.888 0.301 1.00 . A A . 5 PRO HG3 1 1 5 2497 1 1 5 PRO N N 0.864 6.415 -0.678 1.00 . A A . 5 PRO N 1 1 5 2498 1 1 5 PRO O O 2.090 8.834 -0.955 1.00 . A A . 5 PRO O 1 1 5 2499 1 1 6 GLY C C 3.599 9.834 -3.652 1.00 . A A . 6 GLY C 1 1 5 2500 1 1 6 GLY CA C 2.162 10.259 -3.340 1.00 . A A . 6 GLY CA 1 1 5 2501 1 1 6 GLY H H 0.735 8.820 -3.822 1.00 . A A . 6 GLY H 1 1 5 2502 1 1 6 GLY HA2 H 1.754 10.817 -4.183 1.00 . A A . 6 GLY HA2 1 1 5 2503 1 1 6 GLY HA3 H 2.156 10.929 -2.480 1.00 . A A . 6 GLY HA3 1 1 5 2504 1 1 6 GLY N N 1.325 9.103 -3.066 1.00 . A A . 6 GLY N 1 1 5 2505 1 1 6 GLY O O 4.549 10.400 -3.114 1.00 . A A . 6 GLY O 1 1 5 2506 1 1 7 ASN C C 4.836 7.087 -5.782 1.00 . A A . 7 ASN C 1 1 5 2507 1 1 7 ASN CA C 5.017 8.333 -4.911 1.00 . A A . 7 ASN CA 1 1 5 2508 1 1 7 ASN CB C 5.843 7.936 -3.686 1.00 . A A . 7 ASN CB 1 1 5 2509 1 1 7 ASN CG C 7.311 8.326 -3.864 1.00 . A A . 7 ASN CG 1 1 5 2510 1 1 7 ASN H H 2.935 8.385 -4.956 1.00 . A A . 7 ASN H 1 1 5 2511 1 1 7 ASN HA H 5.494 9.152 -5.448 1.00 . A A . 7 ASN HA 1 1 5 2512 1 1 7 ASN HB2 H 5.439 8.422 -2.798 1.00 . A A . 7 ASN HB2 1 1 5 2513 1 1 7 ASN HB3 H 5.766 6.861 -3.523 1.00 . A A . 7 ASN HB3 1 1 5 2514 1 1 7 ASN HD21 H 7.670 7.650 -1.990 1.00 . A A . 7 ASN HD21 1 1 5 2515 1 1 7 ASN HD22 H 9.049 8.285 -2.825 1.00 . A A . 7 ASN HD22 1 1 5 2516 1 1 7 ASN N N 3.712 8.839 -4.521 1.00 . A A . 7 ASN N 1 1 5 2517 1 1 7 ASN ND2 N 8.073 8.066 -2.806 1.00 . A A . 7 ASN ND2 1 1 5 2518 1 1 7 ASN O O 4.965 5.963 -5.299 1.00 . A A . 7 ASN O 1 1 5 2519 1 1 7 ASN OD1 O 7.726 8.831 -4.895 1.00 . A A . 7 ASN OD1 1 1 5 2520 1 1 8 GLN C C 5.660 5.878 -8.672 1.00 . A A . 8 GLN C 1 1 5 2521 1 1 8 GLN CA C 4.338 6.243 -7.993 1.00 . A A . 8 GLN CA 1 1 5 2522 1 1 8 GLN CB C 3.272 6.604 -9.028 1.00 . A A . 8 GLN CB 1 1 5 2523 1 1 8 GLN CD C 3.048 5.802 -11.409 1.00 . A A . 8 GLN CD 1 1 5 2524 1 1 8 GLN CG C 2.958 5.411 -9.933 1.00 . A A . 8 GLN CG 1 1 5 2525 1 1 8 GLN H H 4.435 8.247 -7.435 1.00 . A A . 8 GLN H 1 1 5 2526 1 1 8 GLN HA H 3.985 5.402 -7.395 1.00 . A A . 8 GLN HA 1 1 5 2527 1 1 8 GLN HB2 H 2.363 6.929 -8.521 1.00 . A A . 8 GLN HB2 1 1 5 2528 1 1 8 GLN HB3 H 3.615 7.443 -9.633 1.00 . A A . 8 GLN HB3 1 1 5 2529 1 1 8 GLN HE21 H 1.087 6.298 -11.349 1.00 . A A . 8 GLN HE21 1 1 5 2530 1 1 8 GLN HE22 H 1.862 6.527 -12.881 1.00 . A A . 8 GLN HE22 1 1 5 2531 1 1 8 GLN HG2 H 3.656 4.599 -9.725 1.00 . A A . 8 GLN HG2 1 1 5 2532 1 1 8 GLN HG3 H 1.959 5.035 -9.713 1.00 . A A . 8 GLN HG3 1 1 5 2533 1 1 8 GLN N N 4.539 7.330 -7.051 1.00 . A A . 8 GLN N 1 1 5 2534 1 1 8 GLN NE2 N 1.904 6.246 -11.922 1.00 . A A . 8 GLN NE2 1 1 5 2535 1 1 8 GLN O O 5.857 4.735 -9.081 1.00 . A A . 8 GLN O 1 1 5 2536 1 1 8 GLN OE1 O 4.088 5.709 -12.040 1.00 . A A . 8 GLN OE1 1 1 5 2537 1 1 9 LEU C C 8.672 5.744 -8.514 1.00 . A A . 9 LEU C 1 1 5 2538 1 1 9 LEU CA C 7.829 6.670 -9.392 1.00 . A A . 9 LEU CA 1 1 5 2539 1 1 9 LEU CB C 8.496 8.014 -9.688 1.00 . A A . 9 LEU CB 1 1 5 2540 1 1 9 LEU CD1 C 10.482 9.310 -8.828 1.00 . A A . 9 LEU CD1 1 1 5 2541 1 1 9 LEU CD2 C 8.155 9.816 -7.956 1.00 . A A . 9 LEU CD2 1 1 5 2542 1 1 9 LEU CG C 9.105 8.739 -8.485 1.00 . A A . 9 LEU CG 1 1 5 2543 1 1 9 LEU H H 6.363 7.798 -8.434 1.00 . A A . 9 LEU H 1 1 5 2544 1 1 9 LEU HA H 7.659 6.177 -10.350 1.00 . A A . 9 LEU HA 1 1 5 2545 1 1 9 LEU HB2 H 9.282 7.853 -10.426 1.00 . A A . 9 LEU HB2 1 1 5 2546 1 1 9 LEU HB3 H 7.758 8.671 -10.147 1.00 . A A . 9 LEU HB3 1 1 5 2547 1 1 9 LEU HD11 H 10.769 10.043 -8.076 1.00 . A A . 9 LEU HD11 1 1 5 2548 1 1 9 LEU HD12 H 11.215 8.503 -8.847 1.00 . A A . 9 LEU HD12 1 1 5 2549 1 1 9 LEU HD13 H 10.444 9.788 -9.807 1.00 . A A . 9 LEU HD13 1 1 5 2550 1 1 9 LEU HD21 H 8.448 10.787 -8.354 1.00 . A A . 9 LEU HD21 1 1 5 2551 1 1 9 LEU HD22 H 7.136 9.587 -8.269 1.00 . A A . 9 LEU HD22 1 1 5 2552 1 1 9 LEU HD23 H 8.203 9.839 -6.867 1.00 . A A . 9 LEU HD23 1 1 5 2553 1 1 9 LEU HG H 9.247 8.013 -7.685 1.00 . A A . 9 LEU HG 1 1 5 2554 1 1 9 LEU N N 6.531 6.871 -8.770 1.00 . A A . 9 LEU N 1 1 5 2555 1 1 9 LEU O O 9.547 5.036 -9.012 1.00 . A A . 9 LEU O 1 1 5 2556 1 1 10 LYS C C 8.680 3.492 -6.446 1.00 . A A . 10 LYS C 1 1 5 2557 1 1 10 LYS CA C 9.102 4.951 -6.270 1.00 . A A . 10 LYS CA 1 1 5 2558 1 1 10 LYS CB C 8.909 5.480 -4.847 1.00 . A A . 10 LYS CB 1 1 5 2559 1 1 10 LYS CD C 10.116 5.485 -2.633 1.00 . A A . 10 LYS CD 1 1 5 2560 1 1 10 LYS CE C 11.292 6.124 -1.891 1.00 . A A . 10 LYS CE 1 1 5 2561 1 1 10 LYS CG C 10.256 5.671 -4.145 1.00 . A A . 10 LYS CG 1 1 5 2562 1 1 10 LYS H H 7.669 6.357 -6.825 1.00 . A A . 10 LYS H 1 1 5 2563 1 1 10 LYS HA H 10.164 5.035 -6.503 1.00 . A A . 10 LYS HA 1 1 5 2564 1 1 10 LYS HB2 H 8.373 6.429 -4.877 1.00 . A A . 10 LYS HB2 1 1 5 2565 1 1 10 LYS HB3 H 8.293 4.784 -4.278 1.00 . A A . 10 LYS HB3 1 1 5 2566 1 1 10 LYS HD2 H 9.182 5.929 -2.293 1.00 . A A . 10 LYS HD2 1 1 5 2567 1 1 10 LYS HD3 H 10.068 4.422 -2.397 1.00 . A A . 10 LYS HD3 1 1 5 2568 1 1 10 LYS HE2 H 12.231 5.822 -2.356 1.00 . A A . 10 LYS HE2 1 1 5 2569 1 1 10 LYS HE3 H 11.232 7.210 -1.972 1.00 . A A . 10 LYS HE3 1 1 5 2570 1 1 10 LYS HG2 H 10.979 4.957 -4.539 1.00 . A A . 10 LYS HG2 1 1 5 2571 1 1 10 LYS HG3 H 10.642 6.667 -4.359 1.00 . A A . 10 LYS HG3 1 1 5 2572 1 1 10 LYS HZ1 H 12.145 5.984 0.004 1.00 . A A . 10 LYS HZ1 1 1 5 2573 1 1 10 LYS HZ2 H 10.527 6.162 0.047 1.00 . A A . 10 LYS HZ2 1 1 5 2574 1 1 10 LYS N N 8.381 5.779 -7.222 1.00 . A A . 10 LYS N 1 1 5 2575 1 1 10 LYS NZ N 11.284 5.726 -0.466 1.00 . A A . 10 LYS NZ 1 1 5 2576 1 1 10 LYS O O 9.442 2.579 -6.133 1.00 . A A . 10 LYS O 1 1 5 2577 1 1 11 CYS C C 7.526 1.439 -8.470 1.00 . A A . 11 CYS C 1 1 5 2578 1 1 11 CYS CA C 6.932 1.984 -7.169 1.00 . A A . 11 CYS CA 1 1 5 2579 1 1 11 CYS CB C 5.403 1.983 -7.195 1.00 . A A . 11 CYS CB 1 1 5 2580 1 1 11 CYS H H 6.852 4.065 -7.200 1.00 . A A . 11 CYS H 1 1 5 2581 1 1 11 CYS HA H 7.243 1.377 -6.319 1.00 . A A . 11 CYS HA 1 1 5 2582 1 1 11 CYS HB2 H 5.069 2.492 -8.099 1.00 . A A . 11 CYS HB2 1 1 5 2583 1 1 11 CYS HB3 H 5.055 0.952 -7.263 1.00 . A A . 11 CYS HB3 1 1 5 2584 1 1 11 CYS N N 7.465 3.317 -6.947 1.00 . A A . 11 CYS N 1 1 5 2585 1 1 11 CYS O O 7.770 0.239 -8.591 1.00 . A A . 11 CYS O 1 1 5 2586 1 1 11 CYS SG S 4.610 2.776 -5.749 1.00 . A A . 11 CYS SG 1 1 5 2587 1 1 12 ASN C C 9.778 1.615 -10.522 1.00 . A A . 12 ASN C 1 1 5 2588 1 1 12 ASN CA C 8.301 1.974 -10.698 1.00 . A A . 12 ASN CA 1 1 5 2589 1 1 12 ASN CB C 8.211 3.131 -11.695 1.00 . A A . 12 ASN CB 1 1 5 2590 1 1 12 ASN CG C 6.762 3.585 -11.878 1.00 . A A . 12 ASN CG 1 1 5 2591 1 1 12 ASN H H 7.540 3.322 -9.304 1.00 . A A . 12 ASN H 1 1 5 2592 1 1 12 ASN HA H 7.704 1.127 -11.035 1.00 . A A . 12 ASN HA 1 1 5 2593 1 1 12 ASN HB2 H 8.816 3.967 -11.344 1.00 . A A . 12 ASN HB2 1 1 5 2594 1 1 12 ASN HB3 H 8.622 2.821 -12.656 1.00 . A A . 12 ASN HB3 1 1 5 2595 1 1 12 ASN HD21 H 7.285 4.381 -13.664 1.00 . A A . 12 ASN HD21 1 1 5 2596 1 1 12 ASN HD22 H 5.619 4.568 -13.229 1.00 . A A . 12 ASN HD22 1 1 5 2597 1 1 12 ASN N N 7.741 2.348 -9.411 1.00 . A A . 12 ASN N 1 1 5 2598 1 1 12 ASN ND2 N 6.537 4.232 -13.019 1.00 . A A . 12 ASN ND2 1 1 5 2599 1 1 12 ASN O O 10.271 0.675 -11.145 1.00 . A A . 12 ASN O 1 1 5 2600 1 1 12 ASN OD1 O 5.904 3.364 -11.039 1.00 . A A . 12 ASN OD1 1 1 5 2601 1 1 13 ASN C C 12.015 0.893 -8.563 1.00 . A A . 13 ASN C 1 1 5 2602 1 1 13 ASN CA C 11.854 2.158 -9.407 1.00 . A A . 13 ASN CA 1 1 5 2603 1 1 13 ASN CB C 12.460 3.326 -8.626 1.00 . A A . 13 ASN CB 1 1 5 2604 1 1 13 ASN CG C 12.103 4.665 -9.276 1.00 . A A . 13 ASN CG 1 1 5 2605 1 1 13 ASN H H 10.035 3.146 -9.171 1.00 . A A . 13 ASN H 1 1 5 2606 1 1 13 ASN HA H 12.320 2.068 -10.388 1.00 . A A . 13 ASN HA 1 1 5 2607 1 1 13 ASN HB2 H 12.098 3.309 -7.599 1.00 . A A . 13 ASN HB2 1 1 5 2608 1 1 13 ASN HB3 H 13.544 3.217 -8.584 1.00 . A A . 13 ASN HB3 1 1 5 2609 1 1 13 ASN HD21 H 11.979 5.477 -7.425 1.00 . A A . 13 ASN HD21 1 1 5 2610 1 1 13 ASN HD22 H 11.656 6.564 -8.734 1.00 . A A . 13 ASN HD22 1 1 5 2611 1 1 13 ASN N N 10.443 2.384 -9.672 1.00 . A A . 13 ASN N 1 1 5 2612 1 1 13 ASN ND2 N 11.895 5.650 -8.406 1.00 . A A . 13 ASN ND2 1 1 5 2613 1 1 13 ASN O O 12.966 0.136 -8.748 1.00 . A A . 13 ASN O 1 1 5 2614 1 1 13 ASN OD1 O 12.020 4.795 -10.486 1.00 . A A . 13 ASN OD1 1 1 5 2615 1 1 14 HIS C C 10.747 -1.715 -7.588 1.00 . A A . 14 HIS C 1 1 5 2616 1 1 14 HIS CA C 11.093 -0.461 -6.782 1.00 . A A . 14 HIS CA 1 1 5 2617 1 1 14 HIS CB C 10.171 -0.256 -5.580 1.00 . A A . 14 HIS CB 1 1 5 2618 1 1 14 HIS CD2 C 8.882 -2.490 -5.155 1.00 . A A . 14 HIS CD2 1 1 5 2619 1 1 14 HIS CE1 C 9.892 -3.087 -3.308 1.00 . A A . 14 HIS CE1 1 1 5 2620 1 1 14 HIS CG C 9.808 -1.532 -4.859 1.00 . A A . 14 HIS CG 1 1 5 2621 1 1 14 HIS H H 10.298 1.322 -7.511 1.00 . A A . 14 HIS H 1 1 5 2622 1 1 14 HIS HA H 12.113 -0.549 -6.408 1.00 . A A . 14 HIS HA 1 1 5 2623 1 1 14 HIS HB2 H 10.654 0.421 -4.875 1.00 . A A . 14 HIS HB2 1 1 5 2624 1 1 14 HIS HB3 H 9.256 0.234 -5.915 1.00 . A A . 14 HIS HB3 1 1 5 2625 1 1 14 HIS HD1 H 11.156 -1.444 -3.213 1.00 . A A . 14 HIS HD1 1 1 5 2626 1 1 14 HIS HD2 H 8.213 -2.485 -6.016 1.00 . A A . 14 HIS HD2 1 1 5 2627 1 1 14 HIS HE1 H 10.167 -3.659 -2.423 1.00 . A A . 14 HIS HE1 1 1 5 2628 1 1 14 HIS N N 11.068 0.701 -7.655 1.00 . A A . 14 HIS N 1 1 5 2629 1 1 14 HIS ND1 N 10.427 -1.936 -3.689 1.00 . A A . 14 HIS ND1 1 1 5 2630 1 1 14 HIS NE2 N 8.935 -3.428 -4.218 1.00 . A A . 14 HIS NE2 1 1 5 2631 1 1 14 HIS O O 11.201 -2.811 -7.262 1.00 . A A . 14 HIS O 1 1 5 2632 1 1 15 CYS C C 10.677 -2.921 -10.448 1.00 . A A . 15 CYS C 1 1 5 2633 1 1 15 CYS CA C 9.535 -2.613 -9.479 1.00 . A A . 15 CYS CA 1 1 5 2634 1 1 15 CYS CB C 8.231 -2.300 -10.214 1.00 . A A . 15 CYS CB 1 1 5 2635 1 1 15 CYS H H 9.582 -0.617 -8.882 1.00 . A A . 15 CYS H 1 1 5 2636 1 1 15 CYS HA H 9.343 -3.462 -8.823 1.00 . A A . 15 CYS HA 1 1 5 2637 1 1 15 CYS HB2 H 8.331 -1.335 -10.710 1.00 . A A . 15 CYS HB2 1 1 5 2638 1 1 15 CYS HB3 H 8.083 -3.046 -10.996 1.00 . A A . 15 CYS HB3 1 1 5 2639 1 1 15 CYS N N 9.946 -1.512 -8.624 1.00 . A A . 15 CYS N 1 1 5 2640 1 1 15 CYS O O 10.841 -4.062 -10.877 1.00 . A A . 15 CYS O 1 1 5 2641 1 1 15 CYS SG S 6.741 -2.259 -9.151 1.00 . A A . 15 CYS SG 1 1 5 2642 1 1 16 LYS C C 13.759 -2.598 -10.916 1.00 . A A . 16 LYS C 1 1 5 2643 1 1 16 LYS CA C 12.561 -2.029 -11.678 1.00 . A A . 16 LYS CA 1 1 5 2644 1 1 16 LYS CB C 12.852 -0.704 -12.383 1.00 . A A . 16 LYS CB 1 1 5 2645 1 1 16 LYS CD C 14.113 1.467 -12.139 1.00 . A A . 16 LYS CD 1 1 5 2646 1 1 16 LYS CE C 15.340 1.799 -12.989 1.00 . A A . 16 LYS CE 1 1 5 2647 1 1 16 LYS CG C 14.081 -0.020 -11.779 1.00 . A A . 16 LYS CG 1 1 5 2648 1 1 16 LYS H H 11.298 -0.958 -10.413 1.00 . A A . 16 LYS H 1 1 5 2649 1 1 16 LYS HA H 12.267 -2.746 -12.445 1.00 . A A . 16 LYS HA 1 1 5 2650 1 1 16 LYS HB2 H 13.017 -0.882 -13.446 1.00 . A A . 16 LYS HB2 1 1 5 2651 1 1 16 LYS HB3 H 11.988 -0.046 -12.302 1.00 . A A . 16 LYS HB3 1 1 5 2652 1 1 16 LYS HD2 H 13.206 1.733 -12.682 1.00 . A A . 16 LYS HD2 1 1 5 2653 1 1 16 LYS HD3 H 14.124 2.065 -11.227 1.00 . A A . 16 LYS HD3 1 1 5 2654 1 1 16 LYS HE2 H 16.023 0.949 -13.001 1.00 . A A . 16 LYS HE2 1 1 5 2655 1 1 16 LYS HE3 H 15.037 1.979 -14.021 1.00 . A A . 16 LYS HE3 1 1 5 2656 1 1 16 LYS HG2 H 14.069 -0.136 -10.695 1.00 . A A . 16 LYS HG2 1 1 5 2657 1 1 16 LYS HG3 H 14.987 -0.505 -12.142 1.00 . A A . 16 LYS HG3 1 1 5 2658 1 1 16 LYS HZ1 H 15.439 3.813 -12.463 1.00 . A A . 16 LYS HZ1 1 1 5 2659 1 1 16 LYS HZ2 H 16.335 2.857 -11.495 1.00 . A A . 16 LYS HZ2 1 1 5 2660 1 1 16 LYS N N 11.438 -1.884 -10.766 1.00 . A A . 16 LYS N 1 1 5 2661 1 1 16 LYS NZ N 16.034 2.992 -12.453 1.00 . A A . 16 LYS NZ 1 1 5 2662 1 1 16 LYS O O 14.654 -3.193 -11.515 1.00 . A A . 16 LYS O 1 1 5 2663 1 1 17 SER C C 14.543 -4.333 -8.352 1.00 . A A . 17 SER C 1 1 5 2664 1 1 17 SER CA C 14.812 -2.883 -8.757 1.00 . A A . 17 SER CA 1 1 5 2665 1 1 17 SER CB C 14.972 -2.005 -7.515 1.00 . A A . 17 SER CB 1 1 5 2666 1 1 17 SER H H 13.005 -1.914 -9.127 1.00 . A A . 17 SER H 1 1 5 2667 1 1 17 SER HA H 15.713 -2.816 -9.367 1.00 . A A . 17 SER HA 1 1 5 2668 1 1 17 SER HB2 H 14.462 -1.055 -7.674 1.00 . A A . 17 SER HB2 1 1 5 2669 1 1 17 SER HB3 H 14.487 -2.487 -6.666 1.00 . A A . 17 SER HB3 1 1 5 2670 1 1 17 SER HG H 16.912 -1.957 -8.002 1.00 . A A . 17 SER HG 1 1 5 2671 1 1 17 SER N N 13.738 -2.397 -9.606 1.00 . A A . 17 SER N 1 1 5 2672 1 1 17 SER O O 15.474 -5.127 -8.219 1.00 . A A . 17 SER O 1 1 5 2673 1 1 17 SER OG O 16.341 -1.762 -7.204 1.00 . A A . 17 SER OG 1 1 5 2674 1 1 18 ILE C C 12.999 -6.914 -8.980 1.00 . A A . 18 ILE C 1 1 5 2675 1 1 18 ILE CA C 12.864 -5.977 -7.779 1.00 . A A . 18 ILE CA 1 1 5 2676 1 1 18 ILE CB C 11.461 -5.960 -7.167 1.00 . A A . 18 ILE CB 1 1 5 2677 1 1 18 ILE CD1 C 9.954 -6.680 -9.056 1.00 . A A . 18 ILE CD1 1 1 5 2678 1 1 18 ILE CG1 C 10.421 -5.506 -8.194 1.00 . A A . 18 ILE CG1 1 1 5 2679 1 1 18 ILE CG2 C 11.426 -5.104 -5.900 1.00 . A A . 18 ILE CG2 1 1 5 2680 1 1 18 ILE H H 12.516 -3.984 -8.276 1.00 . A A . 18 ILE H 1 1 5 2681 1 1 18 ILE HA H 13.550 -6.312 -7.000 1.00 . A A . 18 ILE HA 1 1 5 2682 1 1 18 ILE HB H 11.203 -6.977 -6.876 1.00 . A A . 18 ILE HB 1 1 5 2683 1 1 18 ILE HD11 H 8.952 -6.980 -8.748 1.00 . A A . 18 ILE HD11 1 1 5 2684 1 1 18 ILE HD12 H 9.938 -6.378 -10.103 1.00 . A A . 18 ILE HD12 1 1 5 2685 1 1 18 ILE HD13 H 10.639 -7.519 -8.930 1.00 . A A . 18 ILE HD13 1 1 5 2686 1 1 18 ILE HG12 H 9.567 -5.064 -7.680 1.00 . A A . 18 ILE HG12 1 1 5 2687 1 1 18 ILE HG13 H 10.847 -4.730 -8.830 1.00 . A A . 18 ILE HG13 1 1 5 2688 1 1 18 ILE HG21 H 12.318 -4.480 -5.857 1.00 . A A . 18 ILE HG21 1 1 5 2689 1 1 18 ILE HG22 H 10.540 -4.468 -5.914 1.00 . A A . 18 ILE HG22 1 1 5 2690 1 1 18 ILE HG23 H 11.393 -5.752 -5.024 1.00 . A A . 18 ILE HG23 1 1 5 2691 1 1 18 ILE N N 13.267 -4.635 -8.166 1.00 . A A . 18 ILE N 1 1 5 2692 1 1 18 ILE O O 13.663 -7.945 -8.897 1.00 . A A . 18 ILE O 1 1 5 2693 1 1 19 SER C C 11.095 -7.137 -12.070 1.00 . A A . 19 SER C 1 1 5 2694 1 1 19 SER CA C 12.399 -7.311 -11.290 1.00 . A A . 19 SER CA 1 1 5 2695 1 1 19 SER CB C 12.637 -8.790 -10.978 1.00 . A A . 19 SER CB 1 1 5 2696 1 1 19 SER H H 11.821 -5.679 -10.132 1.00 . A A . 19 SER H 1 1 5 2697 1 1 19 SER HA H 13.241 -6.920 -11.860 1.00 . A A . 19 SER HA 1 1 5 2698 1 1 19 SER HB2 H 12.174 -9.039 -10.023 1.00 . A A . 19 SER HB2 1 1 5 2699 1 1 19 SER HB3 H 12.152 -9.404 -11.737 1.00 . A A . 19 SER HB3 1 1 5 2700 1 1 19 SER HG H 14.406 -8.841 -10.042 1.00 . A A . 19 SER HG 1 1 5 2701 1 1 19 SER N N 12.358 -6.520 -10.072 1.00 . A A . 19 SER N 1 1 5 2702 1 1 19 SER O O 10.326 -8.084 -12.220 1.00 . A A . 19 SER O 1 1 5 2703 1 1 19 SER OG O 14.026 -9.108 -10.927 1.00 . A A . 19 SER OG 1 1 5 2704 1 1 20 CYS C C 9.980 -4.390 -14.187 1.00 . A A . 20 CYS C 1 1 5 2705 1 1 20 CYS CA C 9.688 -5.608 -13.308 1.00 . A A . 20 CYS CA 1 1 5 2706 1 1 20 CYS CB C 8.482 -5.378 -12.397 1.00 . A A . 20 CYS CB 1 1 5 2707 1 1 20 CYS H H 11.517 -5.153 -12.420 1.00 . A A . 20 CYS H 1 1 5 2708 1 1 20 CYS HA H 9.472 -6.482 -13.921 1.00 . A A . 20 CYS HA 1 1 5 2709 1 1 20 CYS HB2 H 8.841 -5.118 -11.401 1.00 . A A . 20 CYS HB2 1 1 5 2710 1 1 20 CYS HB3 H 7.921 -4.521 -12.768 1.00 . A A . 20 CYS HB3 1 1 5 2711 1 1 20 CYS N N 10.886 -5.919 -12.547 1.00 . A A . 20 CYS N 1 1 5 2712 1 1 20 CYS O O 11.104 -3.889 -14.207 1.00 . A A . 20 CYS O 1 1 5 2713 1 1 20 CYS SG S 7.345 -6.805 -12.255 1.00 . A A . 20 CYS SG 1 1 5 2714 1 1 21 ARG C C 8.714 -1.514 -15.021 1.00 . A A . 21 ARG C 1 1 5 2715 1 1 21 ARG CA C 9.081 -2.797 -15.769 1.00 . A A . 21 ARG CA 1 1 5 2716 1 1 21 ARG CB C 8.181 -2.938 -17.000 1.00 . A A . 21 ARG CB 1 1 5 2717 1 1 21 ARG CD C 9.187 -3.035 -19.310 1.00 . A A . 21 ARG CD 1 1 5 2718 1 1 21 ARG CG C 8.832 -3.834 -18.055 1.00 . A A . 21 ARG CG 1 1 5 2719 1 1 21 ARG CZ C 10.935 -3.201 -21.091 1.00 . A A . 21 ARG CZ 1 1 5 2720 1 1 21 ARG H H 8.039 -4.360 -14.870 1.00 . A A . 21 ARG H 1 1 5 2721 1 1 21 ARG HA H 10.129 -2.792 -16.066 1.00 . A A . 21 ARG HA 1 1 5 2722 1 1 21 ARG HB2 H 7.219 -3.355 -16.705 1.00 . A A . 21 ARG HB2 1 1 5 2723 1 1 21 ARG HB3 H 7.985 -1.953 -17.425 1.00 . A A . 21 ARG HB3 1 1 5 2724 1 1 21 ARG HD2 H 8.407 -3.155 -20.061 1.00 . A A . 21 ARG HD2 1 1 5 2725 1 1 21 ARG HD3 H 9.238 -1.971 -19.073 1.00 . A A . 21 ARG HD3 1 1 5 2726 1 1 21 ARG HE H 11.068 -4.055 -19.263 1.00 . A A . 21 ARG HE 1 1 5 2727 1 1 21 ARG HG2 H 9.732 -4.291 -17.644 1.00 . A A . 21 ARG HG2 1 1 5 2728 1 1 21 ARG HG3 H 8.153 -4.646 -18.316 1.00 . A A . 21 ARG HG3 1 1 5 2729 1 1 21 ARG HH11 H 9.303 -2.100 -21.633 1.00 . A A . 21 ARG HH11 1 1 5 2730 1 1 21 ARG HH12 H 10.532 -2.235 -22.845 1.00 . A A . 21 ARG HH12 1 1 5 2731 1 1 21 ARG HH21 H 12.515 -3.494 -22.370 1.00 . A A . 21 ARG HH21 1 1 5 2732 1 1 21 ARG N N 8.949 -3.947 -14.892 1.00 . A A . 21 ARG N 1 1 5 2733 1 1 21 ARG NE N 10.486 -3.493 -19.852 1.00 . A A . 21 ARG NE 1 1 5 2734 1 1 21 ARG NH1 N 10.192 -2.447 -21.929 1.00 . A A . 21 ARG NH1 1 1 5 2735 1 1 21 ARG NH2 N 12.111 -3.664 -21.471 1.00 . A A . 21 ARG NH2 1 1 5 2736 1 1 21 ARG O O 9.542 -0.615 -14.881 1.00 . A A . 21 ARG O 1 1 5 2737 1 1 22 ALA C C 5.588 -0.609 -13.285 1.00 . A A . 22 ALA C 1 1 5 2738 1 1 22 ALA CA C 6.985 -0.311 -13.831 1.00 . A A . 22 ALA CA 1 1 5 2739 1 1 22 ALA CB C 7.004 0.915 -14.747 1.00 . A A . 22 ALA CB 1 1 5 2740 1 1 22 ALA H H 6.805 -2.205 -14.680 1.00 . A A . 22 ALA H 1 1 5 2741 1 1 22 ALA HA H 7.663 -0.136 -12.997 1.00 . A A . 22 ALA HA 1 1 5 2742 1 1 22 ALA HB1 H 8.026 1.108 -15.075 1.00 . A A . 22 ALA HB1 1 1 5 2743 1 1 22 ALA HB2 H 6.373 0.729 -15.616 1.00 . A A . 22 ALA HB2 1 1 5 2744 1 1 22 ALA HB3 H 6.628 1.781 -14.203 1.00 . A A . 22 ALA HB3 1 1 5 2745 1 1 22 ALA N N 7.472 -1.469 -14.561 1.00 . A A . 22 ALA N 1 1 5 2746 1 1 22 ALA O O 4.804 -1.311 -13.922 1.00 . A A . 22 ALA O 1 1 5 2747 1 1 23 GLY C C 3.323 1.079 -11.232 1.00 . A A . 23 GLY C 1 1 5 2748 1 1 23 GLY CA C 4.028 -0.258 -11.469 1.00 . A A . 23 GLY CA 1 1 5 2749 1 1 23 GLY H H 5.960 0.509 -11.597 1.00 . A A . 23 GLY H 1 1 5 2750 1 1 23 GLY HA2 H 3.403 -0.897 -12.093 1.00 . A A . 23 GLY HA2 1 1 5 2751 1 1 23 GLY HA3 H 4.165 -0.775 -10.520 1.00 . A A . 23 GLY HA3 1 1 5 2752 1 1 23 GLY N N 5.317 -0.060 -12.109 1.00 . A A . 23 GLY N 1 1 5 2753 1 1 23 GLY O O 3.902 2.139 -11.461 1.00 . A A . 23 GLY O 1 1 5 2754 1 1 24 TYR C C 0.459 2.000 -9.233 1.00 . A A . 24 TYR C 1 1 5 2755 1 1 24 TYR CA C 1.293 2.173 -10.504 1.00 . A A . 24 TYR CA 1 1 5 2756 1 1 24 TYR CB C 0.350 2.334 -11.699 1.00 . A A . 24 TYR CB 1 1 5 2757 1 1 24 TYR CD1 C -1.679 1.060 -10.915 1.00 . A A . 24 TYR CD1 1 1 5 2758 1 1 24 TYR CD2 C -0.578 0.325 -12.906 1.00 . A A . 24 TYR CD2 1 1 5 2759 1 1 24 TYR CE1 C -2.639 -0.005 -11.052 1.00 . A A . 24 TYR CE1 1 1 5 2760 1 1 24 TYR CE2 C -1.538 -0.741 -13.043 1.00 . A A . 24 TYR CE2 1 1 5 2761 1 1 24 TYR CG C -0.669 1.202 -11.845 1.00 . A A . 24 TYR CG 1 1 5 2762 1 1 24 TYR CZ C -2.521 -0.853 -12.110 1.00 . A A . 24 TYR CZ 1 1 5 2763 1 1 24 TYR H H 1.619 0.117 -10.592 1.00 . A A . 24 TYR H 1 1 5 2764 1 1 24 TYR HA H 1.978 3.009 -10.370 1.00 . A A . 24 TYR HA 1 1 5 2765 1 1 24 TYR HB2 H -0.183 3.280 -11.602 1.00 . A A . 24 TYR HB2 1 1 5 2766 1 1 24 TYR HB3 H 0.943 2.395 -12.611 1.00 . A A . 24 TYR HB3 1 1 5 2767 1 1 24 TYR HD1 H -1.751 1.754 -10.078 1.00 . A A . 24 TYR HD1 1 1 5 2768 1 1 24 TYR HD2 H 0.219 0.438 -13.640 1.00 . A A . 24 TYR HD2 1 1 5 2769 1 1 24 TYR HE1 H -3.441 -0.129 -10.326 1.00 . A A . 24 TYR HE1 1 1 5 2770 1 1 24 TYR HE2 H -1.478 -1.441 -13.876 1.00 . A A . 24 TYR HE2 1 1 5 2771 1 1 24 TYR HH H -4.348 -1.515 -12.057 1.00 . A A . 24 TYR HH 1 1 5 2772 1 1 24 TYR N N 2.083 0.984 -10.775 1.00 . A A . 24 TYR N 1 1 5 2773 1 1 24 TYR O O 0.074 0.884 -8.886 1.00 . A A . 24 TYR O 1 1 5 2774 1 1 24 TYR OH O -3.427 -1.858 -12.239 1.00 . A A . 24 TYR OH 1 1 5 2775 1 1 25 CYS C C -2.050 2.965 -7.719 1.00 . A A . 25 CYS C 1 1 5 2776 1 1 25 CYS CA C -0.573 3.105 -7.346 1.00 . A A . 25 CYS CA 1 1 5 2777 1 1 25 CYS CB C -0.314 4.351 -6.497 1.00 . A A . 25 CYS CB 1 1 5 2778 1 1 25 CYS H H 0.525 4.023 -8.861 1.00 . A A . 25 CYS H 1 1 5 2779 1 1 25 CYS HA H -0.236 2.244 -6.770 1.00 . A A . 25 CYS HA 1 1 5 2780 1 1 25 CYS HB2 H -0.788 5.207 -6.978 1.00 . A A . 25 CYS HB2 1 1 5 2781 1 1 25 CYS HB3 H -0.800 4.222 -5.530 1.00 . A A . 25 CYS HB3 1 1 5 2782 1 1 25 CYS N N 0.207 3.120 -8.572 1.00 . A A . 25 CYS N 1 1 5 2783 1 1 25 CYS O O -2.599 3.807 -8.427 1.00 . A A . 25 CYS O 1 1 5 2784 1 1 25 CYS SG S 1.452 4.738 -6.219 1.00 . A A . 25 CYS SG 1 1 5 2785 1 1 26 ASP C C -4.815 2.959 -7.562 1.00 . A A . 26 ASP C 1 1 5 2786 1 1 26 ASP CA C -4.056 1.632 -7.495 1.00 . A A . 26 ASP CA 1 1 5 2787 1 1 26 ASP CB C -4.683 0.785 -6.387 1.00 . A A . 26 ASP CB 1 1 5 2788 1 1 26 ASP CG C -5.331 -0.519 -6.858 1.00 . A A . 26 ASP CG 1 1 5 2789 1 1 26 ASP H H -2.200 1.213 -6.648 1.00 . A A . 26 ASP H 1 1 5 2790 1 1 26 ASP HA H -4.070 1.096 -8.445 1.00 . A A . 26 ASP HA 1 1 5 2791 1 1 26 ASP HB2 H -3.913 0.545 -5.653 1.00 . A A . 26 ASP HB2 1 1 5 2792 1 1 26 ASP HB3 H -5.437 1.383 -5.875 1.00 . A A . 26 ASP HB3 1 1 5 2793 1 1 26 ASP HD2 H -6.647 -1.121 -5.651 1.00 . A A . 26 ASP HD2 1 1 5 2794 1 1 26 ASP N N -2.654 1.894 -7.223 1.00 . A A . 26 ASP N 1 1 5 2795 1 1 26 ASP O O -5.061 3.590 -6.535 1.00 . A A . 26 ASP O 1 1 5 2796 1 1 26 ASP OD1 O -5.476 -0.761 -8.065 1.00 . A A . 26 ASP OD1 1 1 5 2797 1 1 26 ASP OD2 O -5.702 -1.316 -5.913 1.00 . A A . 26 ASP OD2 1 1 5 2798 1 1 27 ALA C C -7.334 4.413 -8.525 1.00 . A A . 27 ALA C 1 1 5 2799 1 1 27 ALA CA C -5.889 4.585 -8.995 1.00 . A A . 27 ALA CA 1 1 5 2800 1 1 27 ALA CB C -5.798 4.982 -10.469 1.00 . A A . 27 ALA CB 1 1 5 2801 1 1 27 ALA H H -4.959 2.826 -9.611 1.00 . A A . 27 ALA H 1 1 5 2802 1 1 27 ALA HA H -5.410 5.357 -8.393 1.00 . A A . 27 ALA HA 1 1 5 2803 1 1 27 ALA HB1 H -6.604 5.675 -10.709 1.00 . A A . 27 ALA HB1 1 1 5 2804 1 1 27 ALA HB2 H -4.838 5.463 -10.658 1.00 . A A . 27 ALA HB2 1 1 5 2805 1 1 27 ALA HB3 H -5.887 4.091 -11.092 1.00 . A A . 27 ALA HB3 1 1 5 2806 1 1 27 ALA N N -5.164 3.344 -8.781 1.00 . A A . 27 ALA N 1 1 5 2807 1 1 27 ALA O O -8.127 5.352 -8.587 1.00 . A A . 27 ALA O 1 1 5 2808 1 1 28 ALA C C -8.934 2.718 -6.068 1.00 . A A . 28 ALA C 1 1 5 2809 1 1 28 ALA CA C -8.971 2.900 -7.587 1.00 . A A . 28 ALA CA 1 1 5 2810 1 1 28 ALA CB C -9.500 1.660 -8.309 1.00 . A A . 28 ALA CB 1 1 5 2811 1 1 28 ALA H H -6.984 2.449 -8.019 1.00 . A A . 28 ALA H 1 1 5 2812 1 1 28 ALA HA H -9.613 3.748 -7.827 1.00 . A A . 28 ALA HA 1 1 5 2813 1 1 28 ALA HB1 H -10.034 1.964 -9.210 1.00 . A A . 28 ALA HB1 1 1 5 2814 1 1 28 ALA HB2 H -8.667 1.014 -8.581 1.00 . A A . 28 ALA HB2 1 1 5 2815 1 1 28 ALA HB3 H -10.180 1.118 -7.651 1.00 . A A . 28 ALA HB3 1 1 5 2816 1 1 28 ALA N N -7.635 3.207 -8.065 1.00 . A A . 28 ALA N 1 1 5 2817 1 1 28 ALA O O -9.932 2.332 -5.460 1.00 . A A . 28 ALA O 1 1 5 2818 1 1 29 THR C C -6.983 4.157 -3.485 1.00 . A A . 29 THR C 1 1 5 2819 1 1 29 THR CA C -7.593 2.878 -4.061 1.00 . A A . 29 THR CA 1 1 5 2820 1 1 29 THR CB C -6.747 1.630 -3.799 1.00 . A A . 29 THR CB 1 1 5 2821 1 1 29 THR CG2 C -5.271 1.962 -3.564 1.00 . A A . 29 THR CG2 1 1 5 2822 1 1 29 THR H H -6.967 3.318 -5.999 1.00 . A A . 29 THR H 1 1 5 2823 1 1 29 THR HA H -8.573 2.756 -3.601 1.00 . A A . 29 THR HA 1 1 5 2824 1 1 29 THR HB H -6.859 0.907 -4.607 1.00 . A A . 29 THR HB 1 1 5 2825 1 1 29 THR HG1 H -7.003 1.837 -1.825 1.00 . A A . 29 THR HG1 1 1 5 2826 1 1 29 THR HG21 H -4.919 2.627 -4.352 1.00 . A A . 29 THR HG21 1 1 5 2827 1 1 29 THR HG22 H -5.159 2.452 -2.597 1.00 . A A . 29 THR HG22 1 1 5 2828 1 1 29 THR HG23 H -4.686 1.043 -3.576 1.00 . A A . 29 THR HG23 1 1 5 2829 1 1 29 THR N N -7.773 3.005 -5.498 1.00 . A A . 29 THR N 1 1 5 2830 1 1 29 THR O O -6.488 4.161 -2.359 1.00 . A A . 29 THR O 1 1 5 2831 1 1 29 THR OG1 O -7.203 1.160 -2.534 1.00 . A A . 29 THR OG1 1 1 5 2832 1 1 30 LEU C C -4.982 6.496 -4.070 1.00 . A A . 30 LEU C 1 1 5 2833 1 1 30 LEU CA C -6.499 6.496 -3.867 1.00 . A A . 30 LEU CA 1 1 5 2834 1 1 30 LEU CB C -6.928 6.818 -2.434 1.00 . A A . 30 LEU CB 1 1 5 2835 1 1 30 LEU CD1 C -8.671 6.813 -0.613 1.00 . A A . 30 LEU CD1 1 1 5 2836 1 1 30 LEU CD2 C -9.337 7.282 -3.016 1.00 . A A . 30 LEU CD2 1 1 5 2837 1 1 30 LEU CG C -8.387 6.521 -2.088 1.00 . A A . 30 LEU CG 1 1 5 2838 1 1 30 LEU H H -7.444 5.202 -5.198 1.00 . A A . 30 LEU H 1 1 5 2839 1 1 30 LEU HA H -6.934 7.259 -4.512 1.00 . A A . 30 LEU HA 1 1 5 2840 1 1 30 LEU HB2 H -6.291 6.256 -1.750 1.00 . A A . 30 LEU HB2 1 1 5 2841 1 1 30 LEU HB3 H -6.738 7.875 -2.249 1.00 . A A . 30 LEU HB3 1 1 5 2842 1 1 30 LEU HD11 H -8.563 7.882 -0.427 1.00 . A A . 30 LEU HD11 1 1 5 2843 1 1 30 LEU HD12 H -9.688 6.504 -0.371 1.00 . A A . 30 LEU HD12 1 1 5 2844 1 1 30 LEU HD13 H -7.967 6.262 0.009 1.00 . A A . 30 LEU HD13 1 1 5 2845 1 1 30 LEU HD21 H -9.796 6.585 -3.716 1.00 . A A . 30 LEU HD21 1 1 5 2846 1 1 30 LEU HD22 H -10.112 7.767 -2.424 1.00 . A A . 30 LEU HD22 1 1 5 2847 1 1 30 LEU HD23 H -8.777 8.036 -3.570 1.00 . A A . 30 LEU HD23 1 1 5 2848 1 1 30 LEU HG H -8.567 5.457 -2.246 1.00 . A A . 30 LEU HG 1 1 5 2849 1 1 30 LEU N N -7.039 5.213 -4.283 1.00 . A A . 30 LEU N 1 1 5 2850 1 1 30 LEU O O -4.269 7.278 -3.444 1.00 . A A . 30 LEU O 1 1 5 2851 1 1 31 TRP C C -2.384 5.209 -3.929 1.00 . A A . 31 TRP C 1 1 5 2852 1 1 31 TRP CA C -3.116 5.497 -5.241 1.00 . A A . 31 TRP CA 1 1 5 2853 1 1 31 TRP CB C -2.602 6.753 -5.949 1.00 . A A . 31 TRP CB 1 1 5 2854 1 1 31 TRP CD1 C -2.443 6.609 -8.522 1.00 . A A . 31 TRP CD1 1 1 5 2855 1 1 31 TRP CD2 C -4.388 7.394 -7.809 1.00 . A A . 31 TRP CD2 1 1 5 2856 1 1 31 TRP CE2 C -4.434 7.369 -9.187 1.00 . A A . 31 TRP CE2 1 1 5 2857 1 1 31 TRP CE3 C -5.480 7.845 -7.047 1.00 . A A . 31 TRP CE3 1 1 5 2858 1 1 31 TRP CG C -3.097 6.902 -7.390 1.00 . A A . 31 TRP CG 1 1 5 2859 1 1 31 TRP CH2 C -6.649 8.237 -9.187 1.00 . A A . 31 TRP CH2 1 1 5 2860 1 1 31 TRP CZ2 C -5.549 7.783 -9.925 1.00 . A A . 31 TRP CZ2 1 1 5 2861 1 1 31 TRP CZ3 C -6.587 8.256 -7.799 1.00 . A A . 31 TRP CZ3 1 1 5 2862 1 1 31 TRP H H -5.122 4.978 -5.453 1.00 . A A . 31 TRP H 1 1 5 2863 1 1 31 TRP HA H -2.984 4.666 -5.933 1.00 . A A . 31 TRP HA 1 1 5 2864 1 1 31 TRP HB2 H -2.906 7.630 -5.379 1.00 . A A . 31 TRP HB2 1 1 5 2865 1 1 31 TRP HB3 H -1.512 6.735 -5.951 1.00 . A A . 31 TRP HB3 1 1 5 2866 1 1 31 TRP HD1 H -1.428 6.211 -8.558 1.00 . A A . 31 TRP HD1 1 1 5 2867 1 1 31 TRP HE1 H -2.919 6.729 -10.674 1.00 . A A . 31 TRP HE1 1 1 5 2868 1 1 31 TRP HE3 H -5.468 7.875 -5.957 1.00 . A A . 31 TRP HE3 1 1 5 2869 1 1 31 TRP HH2 H -7.550 8.574 -9.700 1.00 . A A . 31 TRP HH2 1 1 5 2870 1 1 31 TRP HZ2 H -5.560 7.753 -11.014 1.00 . A A . 31 TRP HZ2 1 1 5 2871 1 1 31 TRP HZ3 H -7.462 8.616 -7.257 1.00 . A A . 31 TRP HZ3 1 1 5 2872 1 1 31 TRP N N -4.535 5.610 -4.948 1.00 . A A . 31 TRP N 1 1 5 2873 1 1 31 TRP NE1 N -3.213 6.877 -9.635 1.00 . A A . 31 TRP NE1 1 1 5 2874 1 1 31 TRP O O -1.332 5.788 -3.661 1.00 . A A . 31 TRP O 1 1 5 2875 1 1 32 LEU C C -1.533 2.682 -2.051 1.00 . A A . 32 LEU C 1 1 5 2876 1 1 32 LEU CA C -2.383 3.941 -1.870 1.00 . A A . 32 LEU CA 1 1 5 2877 1 1 32 LEU CB C -3.472 3.798 -0.804 1.00 . A A . 32 LEU CB 1 1 5 2878 1 1 32 LEU CD1 C -1.677 3.259 0.884 1.00 . A A . 32 LEU CD1 1 1 5 2879 1 1 32 LEU CD2 C -4.124 3.155 1.545 1.00 . A A . 32 LEU CD2 1 1 5 2880 1 1 32 LEU CG C -3.105 2.959 0.421 1.00 . A A . 32 LEU CG 1 1 5 2881 1 1 32 LEU H H -3.823 3.847 -3.373 1.00 . A A . 32 LEU H 1 1 5 2882 1 1 32 LEU HA H -1.731 4.756 -1.559 1.00 . A A . 32 LEU HA 1 1 5 2883 1 1 32 LEU HB2 H -3.754 4.795 -0.467 1.00 . A A . 32 LEU HB2 1 1 5 2884 1 1 32 LEU HB3 H -4.354 3.358 -1.270 1.00 . A A . 32 LEU HB3 1 1 5 2885 1 1 32 LEU HD11 H -1.706 3.739 1.862 1.00 . A A . 32 LEU HD11 1 1 5 2886 1 1 32 LEU HD12 H -1.114 2.329 0.952 1.00 . A A . 32 LEU HD12 1 1 5 2887 1 1 32 LEU HD13 H -1.196 3.924 0.166 1.00 . A A . 32 LEU HD13 1 1 5 2888 1 1 32 LEU HD21 H -3.897 2.474 2.365 1.00 . A A . 32 LEU HD21 1 1 5 2889 1 1 32 LEU HD22 H -4.076 4.184 1.904 1.00 . A A . 32 LEU HD22 1 1 5 2890 1 1 32 LEU HD23 H -5.125 2.949 1.168 1.00 . A A . 32 LEU HD23 1 1 5 2891 1 1 32 LEU HG H -3.136 1.908 0.138 1.00 . A A . 32 LEU HG 1 1 5 2892 1 1 32 LEU N N -2.968 4.313 -3.147 1.00 . A A . 32 LEU N 1 1 5 2893 1 1 32 LEU O O -0.530 2.502 -1.362 1.00 . A A . 32 LEU O 1 1 5 2894 1 1 33 ARG C C -0.141 0.855 -4.285 1.00 . A A . 33 ARG C 1 1 5 2895 1 1 33 ARG CA C -1.253 0.608 -3.263 1.00 . A A . 33 ARG CA 1 1 5 2896 1 1 33 ARG CB C -2.202 -0.463 -3.802 1.00 . A A . 33 ARG CB 1 1 5 2897 1 1 33 ARG CD C -2.971 -2.701 -2.927 1.00 . A A . 33 ARG CD 1 1 5 2898 1 1 33 ARG CG C -1.766 -1.859 -3.354 1.00 . A A . 33 ARG CG 1 1 5 2899 1 1 33 ARG CZ C -2.112 -3.378 -0.679 1.00 . A A . 33 ARG CZ 1 1 5 2900 1 1 33 ARG H H -2.779 1.998 -3.540 1.00 . A A . 33 ARG H 1 1 5 2901 1 1 33 ARG HA H -0.840 0.299 -2.303 1.00 . A A . 33 ARG HA 1 1 5 2902 1 1 33 ARG HB2 H -3.216 -0.265 -3.452 1.00 . A A . 33 ARG HB2 1 1 5 2903 1 1 33 ARG HB3 H -2.228 -0.418 -4.891 1.00 . A A . 33 ARG HB3 1 1 5 2904 1 1 33 ARG HD2 H -3.750 -2.055 -2.521 1.00 . A A . 33 ARG HD2 1 1 5 2905 1 1 33 ARG HD3 H -3.396 -3.206 -3.794 1.00 . A A . 33 ARG HD3 1 1 5 2906 1 1 33 ARG HE H -2.618 -4.664 -2.155 1.00 . A A . 33 ARG HE 1 1 5 2907 1 1 33 ARG HG2 H -1.239 -2.358 -4.168 1.00 . A A . 33 ARG HG2 1 1 5 2908 1 1 33 ARG HG3 H -1.065 -1.777 -2.524 1.00 . A A . 33 ARG HG3 1 1 5 2909 1 1 33 ARG HH11 H -2.273 -1.358 -0.930 1.00 . A A . 33 ARG HH11 1 1 5 2910 1 1 33 ARG HH12 H -1.679 -1.860 0.618 1.00 . A A . 33 ARG HH12 1 1 5 2911 1 1 33 ARG HH21 H -1.431 -4.200 1.076 1.00 . A A . 33 ARG HH21 1 1 5 2912 1 1 33 ARG N N -1.963 1.844 -2.983 1.00 . A A . 33 ARG N 1 1 5 2913 1 1 33 ARG NE N -2.560 -3.696 -1.912 1.00 . A A . 33 ARG NE 1 1 5 2914 1 1 33 ARG NH1 N -2.013 -2.087 -0.298 1.00 . A A . 33 ARG NH1 1 1 5 2915 1 1 33 ARG NH2 N -1.771 -4.349 0.147 1.00 . A A . 33 ARG NH2 1 1 5 2916 1 1 33 ARG O O 0.115 1.996 -4.666 1.00 . A A . 33 ARG O 1 1 5 2917 1 1 34 CYS C C 1.688 -1.504 -6.374 1.00 . A A . 34 CYS C 1 1 5 2918 1 1 34 CYS CA C 1.567 -0.150 -5.672 1.00 . A A . 34 CYS CA 1 1 5 2919 1 1 34 CYS CB C 2.885 0.273 -5.019 1.00 . A A . 34 CYS CB 1 1 5 2920 1 1 34 CYS H H 0.276 -1.159 -4.386 1.00 . A A . 34 CYS H 1 1 5 2921 1 1 34 CYS HA H 1.291 0.630 -6.380 1.00 . A A . 34 CYS HA 1 1 5 2922 1 1 34 CYS HB2 H 2.901 -0.095 -3.993 1.00 . A A . 34 CYS HB2 1 1 5 2923 1 1 34 CYS HB3 H 3.707 -0.213 -5.545 1.00 . A A . 34 CYS HB3 1 1 5 2924 1 1 34 CYS N N 0.490 -0.234 -4.701 1.00 . A A . 34 CYS N 1 1 5 2925 1 1 34 CYS O O 2.351 -2.410 -5.873 1.00 . A A . 34 CYS O 1 1 5 2926 1 1 34 CYS SG S 3.187 2.078 -4.998 1.00 . A A . 34 CYS SG 1 1 5 2927 1 1 35 THR C C 2.131 -2.745 -9.391 1.00 . A A . 35 THR C 1 1 5 2928 1 1 35 THR CA C 1.061 -2.825 -8.300 1.00 . A A . 35 THR CA 1 1 5 2929 1 1 35 THR CB C -0.347 -3.070 -8.846 1.00 . A A . 35 THR CB 1 1 5 2930 1 1 35 THR CG2 C -0.426 -2.891 -10.364 1.00 . A A . 35 THR CG2 1 1 5 2931 1 1 35 THR H H 0.498 -0.856 -7.924 1.00 . A A . 35 THR H 1 1 5 2932 1 1 35 THR HA H 1.342 -3.645 -7.639 1.00 . A A . 35 THR HA 1 1 5 2933 1 1 35 THR HB H -1.075 -2.435 -8.341 1.00 . A A . 35 THR HB 1 1 5 2934 1 1 35 THR HG1 H 0.094 -4.990 -9.195 1.00 . A A . 35 THR HG1 1 1 5 2935 1 1 35 THR HG21 H 0.232 -3.612 -10.849 1.00 . A A . 35 THR HG21 1 1 5 2936 1 1 35 THR HG22 H -1.451 -3.054 -10.696 1.00 . A A . 35 THR HG22 1 1 5 2937 1 1 35 THR HG23 H -0.114 -1.881 -10.627 1.00 . A A . 35 THR HG23 1 1 5 2938 1 1 35 THR N N 1.036 -1.598 -7.524 1.00 . A A . 35 THR N 1 1 5 2939 1 1 35 THR O O 2.183 -1.772 -10.143 1.00 . A A . 35 THR O 1 1 5 2940 1 1 35 THR OG1 O -0.559 -4.465 -8.649 1.00 . A A . 35 THR OG1 1 1 5 2941 1 1 36 CYS C C 3.444 -4.405 -11.729 1.00 . A A . 36 CYS C 1 1 5 2942 1 1 36 CYS CA C 4.022 -3.837 -10.430 1.00 . A A . 36 CYS CA 1 1 5 2943 1 1 36 CYS CB C 5.214 -4.656 -9.930 1.00 . A A . 36 CYS CB 1 1 5 2944 1 1 36 CYS H H 2.907 -4.566 -8.829 1.00 . A A . 36 CYS H 1 1 5 2945 1 1 36 CYS HA H 4.369 -2.814 -10.577 1.00 . A A . 36 CYS HA 1 1 5 2946 1 1 36 CYS HB2 H 4.854 -5.632 -9.604 1.00 . A A . 36 CYS HB2 1 1 5 2947 1 1 36 CYS HB3 H 5.894 -4.828 -10.765 1.00 . A A . 36 CYS HB3 1 1 5 2948 1 1 36 CYS N N 2.957 -3.779 -9.444 1.00 . A A . 36 CYS N 1 1 5 2949 1 1 36 CYS O O 2.976 -5.542 -11.759 1.00 . A A . 36 CYS O 1 1 5 2950 1 1 36 CYS SG S 6.151 -3.888 -8.559 1.00 . A A . 36 CYS SG 1 1 5 2951 1 1 37 THR C C 4.127 -4.141 -15.071 1.00 . A A . 37 THR C 1 1 5 2952 1 1 37 THR CA C 2.982 -3.994 -14.067 1.00 . A A . 37 THR CA 1 1 5 2953 1 1 37 THR CB C 1.924 -2.975 -14.497 1.00 . A A . 37 THR CB 1 1 5 2954 1 1 37 THR CG2 C 1.025 -2.539 -13.338 1.00 . A A . 37 THR CG2 1 1 5 2955 1 1 37 THR H H 3.875 -2.663 -12.737 1.00 . A A . 37 THR H 1 1 5 2956 1 1 37 THR HA H 2.520 -4.976 -13.961 1.00 . A A . 37 THR HA 1 1 5 2957 1 1 37 THR HB H 1.329 -3.359 -15.327 1.00 . A A . 37 THR HB 1 1 5 2958 1 1 37 THR HG1 H 3.017 -1.383 -13.975 1.00 . A A . 37 THR HG1 1 1 5 2959 1 1 37 THR HG21 H 1.148 -1.470 -13.165 1.00 . A A . 37 THR HG21 1 1 5 2960 1 1 37 THR HG22 H -0.016 -2.749 -13.586 1.00 . A A . 37 THR HG22 1 1 5 2961 1 1 37 THR HG23 H 1.302 -3.088 -12.437 1.00 . A A . 37 THR HG23 1 1 5 2962 1 1 37 THR N N 3.495 -3.587 -12.770 1.00 . A A . 37 THR N 1 1 5 2963 1 1 37 THR O O 5.110 -3.404 -15.009 1.00 . A A . 37 THR O 1 1 5 2964 1 1 37 THR OG1 O 2.674 -1.807 -14.814 1.00 . A A . 37 THR OG1 1 1 5 2965 1 1 38 ASP C C 6.281 -5.749 -16.310 1.00 . A A . 38 ASP C 1 1 5 2966 1 1 38 ASP CA C 4.969 -5.350 -16.988 1.00 . A A . 38 ASP CA 1 1 5 2967 1 1 38 ASP CB C 5.232 -4.098 -17.828 1.00 . A A . 38 ASP CB 1 1 5 2968 1 1 38 ASP CG C 4.199 -3.827 -18.924 1.00 . A A . 38 ASP CG 1 1 5 2969 1 1 38 ASP H H 3.159 -5.692 -16.015 1.00 . A A . 38 ASP H 1 1 5 2970 1 1 38 ASP HA H 4.558 -6.150 -17.605 1.00 . A A . 38 ASP HA 1 1 5 2971 1 1 38 ASP HB2 H 5.270 -3.235 -17.163 1.00 . A A . 38 ASP HB2 1 1 5 2972 1 1 38 ASP HB3 H 6.215 -4.188 -18.289 1.00 . A A . 38 ASP HB3 1 1 5 2973 1 1 38 ASP HD2 H 3.809 -5.418 -19.853 1.00 . A A . 38 ASP HD2 1 1 5 2974 1 1 38 ASP N N 3.961 -5.097 -15.972 1.00 . A A . 38 ASP N 1 1 5 2975 1 1 38 ASP O O 6.757 -5.053 -15.414 1.00 . A A . 38 ASP O 1 1 5 2976 1 1 38 ASP OD1 O 3.329 -2.955 -18.780 1.00 . A A . 38 ASP OD1 1 1 5 2977 1 1 38 ASP OD2 O 4.315 -4.565 -19.976 1.00 . A A . 38 ASP OD2 1 1 5 2978 1 1 39 CYS C C 8.834 -8.099 -17.322 1.00 . A A . 39 CYS C 1 1 5 2979 1 1 39 CYS CA C 8.077 -7.366 -16.212 1.00 . A A . 39 CYS CA 1 1 5 2980 1 1 39 CYS CB C 7.839 -8.264 -14.996 1.00 . A A . 39 CYS CB 1 1 5 2981 1 1 39 CYS H H 6.435 -7.426 -17.493 1.00 . A A . 39 CYS H 1 1 5 2982 1 1 39 CYS HA H 8.638 -6.496 -15.870 1.00 . A A . 39 CYS HA 1 1 5 2983 1 1 39 CYS HB2 H 7.426 -9.212 -15.337 1.00 . A A . 39 CYS HB2 1 1 5 2984 1 1 39 CYS HB3 H 8.800 -8.484 -14.531 1.00 . A A . 39 CYS HB3 1 1 5 2985 1 1 39 CYS N N 6.829 -6.867 -16.764 1.00 . A A . 39 CYS N 1 1 5 2986 1 1 39 CYS O O 8.227 -8.588 -18.274 1.00 . A A . 39 CYS O 1 1 5 2987 1 1 39 CYS SG S 6.722 -7.559 -13.729 1.00 . A A . 39 CYS SG 1 1 5 2988 1 1 40 ASN C C 11.354 -10.212 -17.630 1.00 . A A . 40 ASN C 1 1 5 2989 1 1 40 ASN CA C 10.994 -8.816 -18.141 1.00 . A A . 40 ASN CA 1 1 5 2990 1 1 40 ASN CB C 12.296 -8.043 -18.358 1.00 . A A . 40 ASN CB 1 1 5 2991 1 1 40 ASN CG C 13.075 -7.901 -17.049 1.00 . A A . 40 ASN CG 1 1 5 2992 1 1 40 ASN H H 10.634 -7.751 -16.386 1.00 . A A . 40 ASN H 1 1 5 2993 1 1 40 ASN HA H 10.404 -8.845 -19.057 1.00 . A A . 40 ASN HA 1 1 5 2994 1 1 40 ASN HB2 H 12.910 -8.557 -19.097 1.00 . A A . 40 ASN HB2 1 1 5 2995 1 1 40 ASN HB3 H 12.073 -7.054 -18.761 1.00 . A A . 40 ASN HB3 1 1 5 2996 1 1 40 ASN HD21 H 14.709 -8.627 -17.999 1.00 . A A . 40 ASN HD21 1 1 5 2997 1 1 40 ASN HD22 H 14.938 -8.228 -16.329 1.00 . A A . 40 ASN HD22 1 1 5 2998 1 1 40 ASN N N 10.147 -8.151 -17.163 1.00 . A A . 40 ASN N 1 1 5 2999 1 1 40 ASN ND2 N 14.346 -8.284 -17.133 1.00 . A A . 40 ASN ND2 1 1 5 3000 1 1 40 ASN O O 12.480 -10.447 -17.191 1.00 . A A . 40 ASN O 1 1 5 3001 1 1 40 ASN OD1 O 12.557 -7.472 -16.031 1.00 . A A . 40 ASN OD1 1 1 5 3002 1 1 41 GLY C C 10.152 -12.638 -15.796 1.00 . A A . 41 GLY C 1 1 5 3003 1 1 41 GLY CA C 10.577 -12.473 -17.256 1.00 . A A . 41 GLY CA 1 1 5 3004 1 1 41 GLY H H 9.465 -10.906 -18.063 1.00 . A A . 41 GLY H 1 1 5 3005 1 1 41 GLY HA2 H 10.003 -13.153 -17.886 1.00 . A A . 41 GLY HA2 1 1 5 3006 1 1 41 GLY HA3 H 11.627 -12.746 -17.367 1.00 . A A . 41 GLY HA3 1 1 5 3007 1 1 41 GLY N N 10.377 -11.105 -17.705 1.00 . A A . 41 GLY N 1 1 5 3008 1 1 41 GLY O O 10.997 -12.748 -14.909 1.00 . A A . 41 GLY O 1 1 5 3009 1 1 42 LYS C C 6.769 -12.805 -14.330 1.00 . A A . 42 LYS C 1 1 5 3010 1 1 42 LYS CA C 8.297 -12.802 -14.254 1.00 . A A . 42 LYS CA 1 1 5 3011 1 1 42 LYS CB C 8.864 -11.731 -13.319 1.00 . A A . 42 LYS CB 1 1 5 3012 1 1 42 LYS CD C 10.550 -11.875 -11.449 1.00 . A A . 42 LYS CD 1 1 5 3013 1 1 42 LYS CE C 11.227 -12.989 -10.650 1.00 . A A . 42 LYS CE 1 1 5 3014 1 1 42 LYS CG C 9.167 -12.315 -11.938 1.00 . A A . 42 LYS CG 1 1 5 3015 1 1 42 LYS H H 8.163 -12.562 -16.319 1.00 . A A . 42 LYS H 1 1 5 3016 1 1 42 LYS HA H 8.626 -13.769 -13.873 1.00 . A A . 42 LYS HA 1 1 5 3017 1 1 42 LYS HB2 H 9.773 -11.312 -13.750 1.00 . A A . 42 LYS HB2 1 1 5 3018 1 1 42 LYS HB3 H 8.151 -10.913 -13.224 1.00 . A A . 42 LYS HB3 1 1 5 3019 1 1 42 LYS HD2 H 11.172 -11.604 -12.302 1.00 . A A . 42 LYS HD2 1 1 5 3020 1 1 42 LYS HD3 H 10.453 -10.984 -10.829 1.00 . A A . 42 LYS HD3 1 1 5 3021 1 1 42 LYS HE2 H 10.758 -13.946 -10.878 1.00 . A A . 42 LYS HE2 1 1 5 3022 1 1 42 LYS HE3 H 12.275 -13.069 -10.943 1.00 . A A . 42 LYS HE3 1 1 5 3023 1 1 42 LYS HG2 H 8.407 -11.990 -11.228 1.00 . A A . 42 LYS HG2 1 1 5 3024 1 1 42 LYS HG3 H 9.122 -13.403 -11.980 1.00 . A A . 42 LYS HG3 1 1 5 3025 1 1 42 LYS HZ1 H 10.250 -13.031 -8.810 1.00 . A A . 42 LYS HZ1 1 1 5 3026 1 1 42 LYS HZ2 H 11.866 -13.184 -8.676 1.00 . A A . 42 LYS HZ2 1 1 5 3027 1 1 42 LYS N N 8.844 -12.651 -15.591 1.00 . A A . 42 LYS N 1 1 5 3028 1 1 42 LYS NZ N 11.133 -12.717 -9.198 1.00 . A A . 42 LYS NZ 1 1 5 3029 1 1 42 LYS O O 6.180 -12.045 -15.096 1.00 . A A . 42 LYS O 1 1 5 3030 1 1 43 LYS C C 4.310 -14.673 -12.316 1.00 . A A . 43 LYS C 1 1 5 3031 1 1 43 LYS CA C 4.722 -13.781 -13.489 1.00 . A A . 43 LYS CA 1 1 5 3032 1 1 43 LYS CB C 4.189 -14.261 -14.842 1.00 . A A . 43 LYS CB 1 1 5 3033 1 1 43 LYS CD C 3.373 -13.213 -16.985 1.00 . A A . 43 LYS CD 1 1 5 3034 1 1 43 LYS CE C 2.256 -14.035 -17.631 1.00 . A A . 43 LYS CE 1 1 5 3035 1 1 43 LYS CG C 3.250 -13.224 -15.460 1.00 . A A . 43 LYS CG 1 1 5 3036 1 1 43 LYS H H 6.656 -14.284 -12.903 1.00 . A A . 43 LYS H 1 1 5 3037 1 1 43 LYS HA H 4.320 -12.782 -13.321 1.00 . A A . 43 LYS HA 1 1 5 3038 1 1 43 LYS HB2 H 5.023 -14.451 -15.518 1.00 . A A . 43 LYS HB2 1 1 5 3039 1 1 43 LYS HB3 H 3.661 -15.206 -14.714 1.00 . A A . 43 LYS HB3 1 1 5 3040 1 1 43 LYS HD2 H 3.331 -12.187 -17.349 1.00 . A A . 43 LYS HD2 1 1 5 3041 1 1 43 LYS HD3 H 4.341 -13.617 -17.278 1.00 . A A . 43 LYS HD3 1 1 5 3042 1 1 43 LYS HE2 H 2.543 -15.087 -17.666 1.00 . A A . 43 LYS HE2 1 1 5 3043 1 1 43 LYS HE3 H 1.352 -13.972 -17.025 1.00 . A A . 43 LYS HE3 1 1 5 3044 1 1 43 LYS HG2 H 2.221 -13.446 -15.177 1.00 . A A . 43 LYS HG2 1 1 5 3045 1 1 43 LYS HG3 H 3.483 -12.236 -15.065 1.00 . A A . 43 LYS HG3 1 1 5 3046 1 1 43 LYS HZ1 H 1.767 -12.552 -19.012 1.00 . A A . 43 LYS HZ1 1 1 5 3047 1 1 43 LYS HZ2 H 2.765 -13.686 -19.622 1.00 . A A . 43 LYS HZ2 1 1 5 3048 1 1 43 LYS N N 6.170 -13.669 -13.523 1.00 . A A . 43 LYS N 1 1 5 3049 1 1 43 LYS NZ N 1.977 -13.545 -18.999 1.00 . A A . 43 LYS NZ 1 1 5 3050 1 1 43 LYS O O 3.218 -14.523 -11.771 1.00 . A A . 43 LYS O 1 1 6 3051 1 1 1 GLY C C 3.583 1.366 -0.807 1.00 . A A . 1 GLY C 1 1 6 3052 1 1 1 GLY CA C 2.247 1.065 -1.489 1.00 . A A . 1 GLY CA 1 1 6 3053 1 1 1 GLY H1 H 2.249 -0.947 -0.950 1.00 . A A . 1 GLY H1 1 1 6 3054 1 1 1 GLY HA2 H 2.182 1.615 -2.428 1.00 . A A . 1 GLY HA2 1 1 6 3055 1 1 1 GLY HA3 H 1.427 1.412 -0.859 1.00 . A A . 1 GLY HA3 1 1 6 3056 1 1 1 GLY N N 2.101 -0.358 -1.744 1.00 . A A . 1 GLY N 1 1 6 3057 1 1 1 GLY O O 3.615 1.776 0.352 1.00 . A A . 1 GLY O 1 1 6 3058 1 1 2 PHE C C 6.200 2.877 -0.736 1.00 . A A . 2 PHE C 1 1 6 3059 1 1 2 PHE CA C 5.991 1.392 -1.039 1.00 . A A . 2 PHE CA 1 1 6 3060 1 1 2 PHE CB C 6.976 0.962 -2.127 1.00 . A A . 2 PHE CB 1 1 6 3061 1 1 2 PHE CD1 C 8.378 -0.913 -1.236 1.00 . A A . 2 PHE CD1 1 1 6 3062 1 1 2 PHE CD2 C 9.377 1.209 -1.455 1.00 . A A . 2 PHE CD2 1 1 6 3063 1 1 2 PHE CE1 C 9.598 -1.436 -0.734 1.00 . A A . 2 PHE CE1 1 1 6 3064 1 1 2 PHE CE2 C 10.598 0.685 -0.953 1.00 . A A . 2 PHE CE2 1 1 6 3065 1 1 2 PHE CG C 8.292 0.399 -1.586 1.00 . A A . 2 PHE CG 1 1 6 3066 1 1 2 PHE CZ C 10.683 -0.626 -0.603 1.00 . A A . 2 PHE CZ 1 1 6 3067 1 1 2 PHE H H 4.621 0.816 -2.498 1.00 . A A . 2 PHE H 1 1 6 3068 1 1 2 PHE HA H 6.090 0.818 -0.117 1.00 . A A . 2 PHE HA 1 1 6 3069 1 1 2 PHE HB2 H 6.502 0.209 -2.755 1.00 . A A . 2 PHE HB2 1 1 6 3070 1 1 2 PHE HB3 H 7.195 1.818 -2.764 1.00 . A A . 2 PHE HB3 1 1 6 3071 1 1 2 PHE HD1 H 7.508 -1.563 -1.340 1.00 . A A . 2 PHE HD1 1 1 6 3072 1 1 2 PHE HD2 H 9.309 2.260 -1.736 1.00 . A A . 2 PHE HD2 1 1 6 3073 1 1 2 PHE HE1 H 9.667 -2.487 -0.453 1.00 . A A . 2 PHE HE1 1 1 6 3074 1 1 2 PHE HE2 H 11.467 1.335 -0.849 1.00 . A A . 2 PHE HE2 1 1 6 3075 1 1 2 PHE HZ H 11.620 -1.028 -0.219 1.00 . A A . 2 PHE HZ 1 1 6 3076 1 1 2 PHE N N 4.655 1.150 -1.556 1.00 . A A . 2 PHE N 1 1 6 3077 1 1 2 PHE O O 6.748 3.231 0.307 1.00 . A A . 2 PHE O 1 1 6 3078 1 1 3 GLY C C 4.512 5.820 -1.465 1.00 . A A . 3 GLY C 1 1 6 3079 1 1 3 GLY CA C 5.885 5.146 -1.513 1.00 . A A . 3 GLY CA 1 1 6 3080 1 1 3 GLY H H 5.310 3.412 -2.513 1.00 . A A . 3 GLY H 1 1 6 3081 1 1 3 GLY HA2 H 6.435 5.368 -0.599 1.00 . A A . 3 GLY HA2 1 1 6 3082 1 1 3 GLY HA3 H 6.465 5.553 -2.341 1.00 . A A . 3 GLY HA3 1 1 6 3083 1 1 3 GLY N N 5.753 3.707 -1.667 1.00 . A A . 3 GLY N 1 1 6 3084 1 1 3 GLY O O 4.337 6.832 -0.787 1.00 . A A . 3 GLY O 1 1 6 3085 1 1 4 CYS C C 1.619 5.675 -0.840 1.00 . A A . 4 CYS C 1 1 6 3086 1 1 4 CYS CA C 2.223 5.764 -2.243 1.00 . A A . 4 CYS CA 1 1 6 3087 1 1 4 CYS CB C 1.366 5.034 -3.280 1.00 . A A . 4 CYS CB 1 1 6 3088 1 1 4 CYS H H 3.725 4.410 -2.742 1.00 . A A . 4 CYS H 1 1 6 3089 1 1 4 CYS HA H 2.306 6.802 -2.563 1.00 . A A . 4 CYS HA 1 1 6 3090 1 1 4 CYS HB2 H 1.160 4.028 -2.916 1.00 . A A . 4 CYS HB2 1 1 6 3091 1 1 4 CYS HB3 H 0.407 5.545 -3.362 1.00 . A A . 4 CYS HB3 1 1 6 3092 1 1 4 CYS N N 3.575 5.232 -2.194 1.00 . A A . 4 CYS N 1 1 6 3093 1 1 4 CYS O O 1.986 4.799 -0.057 1.00 . A A . 4 CYS O 1 1 6 3094 1 1 4 CYS SG S 2.113 4.915 -4.946 1.00 . A A . 4 CYS SG 1 1 6 3095 1 1 5 PRO C C 1.392 8.690 -1.673 1.00 . A A . 5 PRO C 1 1 6 3096 1 1 5 PRO CA C 0.307 7.619 -1.539 1.00 . A A . 5 PRO CA 1 1 6 3097 1 1 5 PRO CB C -1.019 8.177 -1.047 1.00 . A A . 5 PRO CB 1 1 6 3098 1 1 5 PRO CD C -0.043 6.755 0.704 1.00 . A A . 5 PRO CD 1 1 6 3099 1 1 5 PRO CG C -1.108 7.803 0.424 1.00 . A A . 5 PRO CG 1 1 6 3100 1 1 5 PRO HA H 0.221 7.203 -2.444 1.00 . A A . 5 PRO HA 1 1 6 3101 1 1 5 PRO HB2 H -1.061 9.259 -1.179 1.00 . A A . 5 PRO HB2 1 1 6 3102 1 1 5 PRO HB3 H -1.852 7.755 -1.608 1.00 . A A . 5 PRO HB3 1 1 6 3103 1 1 5 PRO HD2 H 0.620 7.069 1.510 1.00 . A A . 5 PRO HD2 1 1 6 3104 1 1 5 PRO HD3 H -0.490 5.809 1.009 1.00 . A A . 5 PRO HD3 1 1 6 3105 1 1 5 PRO HG2 H -0.952 8.682 1.050 1.00 . A A . 5 PRO HG2 1 1 6 3106 1 1 5 PRO HG3 H -2.098 7.415 0.660 1.00 . A A . 5 PRO HG3 1 1 6 3107 1 1 5 PRO N N 0.682 6.618 -0.556 1.00 . A A . 5 PRO N 1 1 6 3108 1 1 5 PRO O O 2.210 8.866 -0.773 1.00 . A A . 5 PRO O 1 1 6 3109 1 1 6 GLY C C 3.706 9.831 -3.401 1.00 . A A . 6 GLY C 1 1 6 3110 1 1 6 GLY CA C 2.335 10.425 -3.070 1.00 . A A . 6 GLY CA 1 1 6 3111 1 1 6 GLY H H 0.695 9.228 -3.534 1.00 . A A . 6 GLY H 1 1 6 3112 1 1 6 GLY HA2 H 1.992 11.043 -3.899 1.00 . A A . 6 GLY HA2 1 1 6 3113 1 1 6 GLY HA3 H 2.418 11.076 -2.200 1.00 . A A . 6 GLY HA3 1 1 6 3114 1 1 6 GLY N N 1.364 9.377 -2.806 1.00 . A A . 6 GLY N 1 1 6 3115 1 1 6 GLY O O 4.706 10.180 -2.776 1.00 . A A . 6 GLY O 1 1 6 3116 1 1 7 ASN C C 4.624 7.266 -5.892 1.00 . A A . 7 ASN C 1 1 6 3117 1 1 7 ASN CA C 4.940 8.298 -4.808 1.00 . A A . 7 ASN CA 1 1 6 3118 1 1 7 ASN CB C 5.608 7.569 -3.640 1.00 . A A . 7 ASN CB 1 1 6 3119 1 1 7 ASN CG C 7.068 7.999 -3.488 1.00 . A A . 7 ASN CG 1 1 6 3120 1 1 7 ASN H H 2.891 8.665 -4.890 1.00 . A A . 7 ASN H 1 1 6 3121 1 1 7 ASN HA H 5.576 9.105 -5.173 1.00 . A A . 7 ASN HA 1 1 6 3122 1 1 7 ASN HB2 H 5.066 7.778 -2.718 1.00 . A A . 7 ASN HB2 1 1 6 3123 1 1 7 ASN HB3 H 5.557 6.493 -3.803 1.00 . A A . 7 ASN HB3 1 1 6 3124 1 1 7 ASN HD21 H 7.016 7.336 -1.576 1.00 . A A . 7 ASN HD21 1 1 6 3125 1 1 7 ASN HD22 H 8.528 8.008 -2.086 1.00 . A A . 7 ASN HD22 1 1 6 3126 1 1 7 ASN N N 3.708 8.944 -4.385 1.00 . A A . 7 ASN N 1 1 6 3127 1 1 7 ASN ND2 N 7.580 7.762 -2.284 1.00 . A A . 7 ASN ND2 1 1 6 3128 1 1 7 ASN O O 4.560 6.068 -5.614 1.00 . A A . 7 ASN O 1 1 6 3129 1 1 7 ASN OD1 O 7.689 8.513 -4.404 1.00 . A A . 7 ASN OD1 1 1 6 3130 1 1 8 GLN C C 5.413 6.469 -8.934 1.00 . A A . 8 GLN C 1 1 6 3131 1 1 8 GLN CA C 4.125 6.903 -8.230 1.00 . A A . 8 GLN CA 1 1 6 3132 1 1 8 GLN CB C 3.173 7.594 -9.207 1.00 . A A . 8 GLN CB 1 1 6 3133 1 1 8 GLN CD C 1.263 7.087 -10.775 1.00 . A A . 8 GLN CD 1 1 6 3134 1 1 8 GLN CG C 1.912 6.755 -9.430 1.00 . A A . 8 GLN CG 1 1 6 3135 1 1 8 GLN H H 4.487 8.740 -7.321 1.00 . A A . 8 GLN H 1 1 6 3136 1 1 8 GLN HA H 3.628 6.033 -7.801 1.00 . A A . 8 GLN HA 1 1 6 3137 1 1 8 GLN HB2 H 2.897 8.574 -8.819 1.00 . A A . 8 GLN HB2 1 1 6 3138 1 1 8 GLN HB3 H 3.678 7.757 -10.159 1.00 . A A . 8 GLN HB3 1 1 6 3139 1 1 8 GLN HE21 H 2.307 5.562 -11.601 1.00 . A A . 8 GLN HE21 1 1 6 3140 1 1 8 GLN HE22 H 1.281 6.432 -12.691 1.00 . A A . 8 GLN HE22 1 1 6 3141 1 1 8 GLN HG2 H 2.166 5.696 -9.395 1.00 . A A . 8 GLN HG2 1 1 6 3142 1 1 8 GLN HG3 H 1.202 6.940 -8.624 1.00 . A A . 8 GLN HG3 1 1 6 3143 1 1 8 GLN N N 4.434 7.766 -7.104 1.00 . A A . 8 GLN N 1 1 6 3144 1 1 8 GLN NE2 N 1.649 6.294 -11.771 1.00 . A A . 8 GLN NE2 1 1 6 3145 1 1 8 GLN O O 5.404 5.531 -9.731 1.00 . A A . 8 GLN O 1 1 6 3146 1 1 8 GLN OE1 O 0.466 8.001 -10.901 1.00 . A A . 8 GLN OE1 1 1 6 3147 1 1 9 LEU C C 8.505 5.837 -8.345 1.00 . A A . 9 LEU C 1 1 6 3148 1 1 9 LEU CA C 7.782 6.873 -9.208 1.00 . A A . 9 LEU CA 1 1 6 3149 1 1 9 LEU CB C 8.583 8.158 -9.426 1.00 . A A . 9 LEU CB 1 1 6 3150 1 1 9 LEU CD1 C 10.700 9.188 -8.522 1.00 . A A . 9 LEU CD1 1 1 6 3151 1 1 9 LEU CD2 C 8.446 9.859 -7.570 1.00 . A A . 9 LEU CD2 1 1 6 3152 1 1 9 LEU CG C 9.277 8.734 -8.190 1.00 . A A . 9 LEU CG 1 1 6 3153 1 1 9 LEU H H 6.488 7.934 -7.967 1.00 . A A . 9 LEU H 1 1 6 3154 1 1 9 LEU HA H 7.598 6.437 -10.191 1.00 . A A . 9 LEU HA 1 1 6 3155 1 1 9 LEU HB2 H 9.340 7.966 -10.187 1.00 . A A . 9 LEU HB2 1 1 6 3156 1 1 9 LEU HB3 H 7.912 8.916 -9.828 1.00 . A A . 9 LEU HB3 1 1 6 3157 1 1 9 LEU HD11 H 10.660 10.103 -9.112 1.00 . A A . 9 LEU HD11 1 1 6 3158 1 1 9 LEU HD12 H 11.246 9.374 -7.597 1.00 . A A . 9 LEU HD12 1 1 6 3159 1 1 9 LEU HD13 H 11.205 8.409 -9.093 1.00 . A A . 9 LEU HD13 1 1 6 3160 1 1 9 LEU HD21 H 8.846 10.823 -7.887 1.00 . A A . 9 LEU HD21 1 1 6 3161 1 1 9 LEU HD22 H 7.411 9.770 -7.898 1.00 . A A . 9 LEU HD22 1 1 6 3162 1 1 9 LEU HD23 H 8.490 9.787 -6.484 1.00 . A A . 9 LEU HD23 1 1 6 3163 1 1 9 LEU HG H 9.357 7.944 -7.444 1.00 . A A . 9 LEU HG 1 1 6 3164 1 1 9 LEU N N 6.489 7.172 -8.616 1.00 . A A . 9 LEU N 1 1 6 3165 1 1 9 LEU O O 9.305 5.051 -8.853 1.00 . A A . 9 LEU O 1 1 6 3166 1 1 10 LYS C C 8.338 3.520 -6.433 1.00 . A A . 10 LYS C 1 1 6 3167 1 1 10 LYS CA C 8.809 4.942 -6.119 1.00 . A A . 10 LYS CA 1 1 6 3168 1 1 10 LYS CB C 8.534 5.378 -4.678 1.00 . A A . 10 LYS CB 1 1 6 3169 1 1 10 LYS CD C 10.316 5.486 -2.898 1.00 . A A . 10 LYS CD 1 1 6 3170 1 1 10 LYS CE C 11.844 5.516 -2.957 1.00 . A A . 10 LYS CE 1 1 6 3171 1 1 10 LYS CG C 9.706 6.184 -4.116 1.00 . A A . 10 LYS CG 1 1 6 3172 1 1 10 LYS H H 7.548 6.511 -6.653 1.00 . A A . 10 LYS H 1 1 6 3173 1 1 10 LYS HA H 9.888 4.989 -6.268 1.00 . A A . 10 LYS HA 1 1 6 3174 1 1 10 LYS HB2 H 7.625 5.978 -4.644 1.00 . A A . 10 LYS HB2 1 1 6 3175 1 1 10 LYS HB3 H 8.359 4.499 -4.057 1.00 . A A . 10 LYS HB3 1 1 6 3176 1 1 10 LYS HD2 H 9.974 5.974 -1.986 1.00 . A A . 10 LYS HD2 1 1 6 3177 1 1 10 LYS HD3 H 9.971 4.453 -2.856 1.00 . A A . 10 LYS HD3 1 1 6 3178 1 1 10 LYS HE2 H 12.174 5.531 -3.996 1.00 . A A . 10 LYS HE2 1 1 6 3179 1 1 10 LYS HE3 H 12.214 6.430 -2.492 1.00 . A A . 10 LYS HE3 1 1 6 3180 1 1 10 LYS HG2 H 10.467 6.311 -4.885 1.00 . A A . 10 LYS HG2 1 1 6 3181 1 1 10 LYS HG3 H 9.366 7.180 -3.835 1.00 . A A . 10 LYS HG3 1 1 6 3182 1 1 10 LYS HZ1 H 13.272 4.561 -1.777 1.00 . A A . 10 LYS HZ1 1 1 6 3183 1 1 10 LYS HZ2 H 11.774 3.955 -1.579 1.00 . A A . 10 LYS HZ2 1 1 6 3184 1 1 10 LYS N N 8.199 5.868 -7.057 1.00 . A A . 10 LYS N 1 1 6 3185 1 1 10 LYS NZ N 12.413 4.337 -2.267 1.00 . A A . 10 LYS NZ 1 1 6 3186 1 1 10 LYS O O 9.051 2.554 -6.167 1.00 . A A . 10 LYS O 1 1 6 3187 1 1 11 CYS C C 7.331 1.598 -8.550 1.00 . A A . 11 CYS C 1 1 6 3188 1 1 11 CYS CA C 6.566 2.152 -7.347 1.00 . A A . 11 CYS CA 1 1 6 3189 1 1 11 CYS CB C 5.065 2.260 -7.626 1.00 . A A . 11 CYS CB 1 1 6 3190 1 1 11 CYS H H 6.568 4.230 -7.206 1.00 . A A . 11 CYS H 1 1 6 3191 1 1 11 CYS HA H 6.689 1.506 -6.478 1.00 . A A . 11 CYS HA 1 1 6 3192 1 1 11 CYS HB2 H 4.908 2.991 -8.419 1.00 . A A . 11 CYS HB2 1 1 6 3193 1 1 11 CYS HB3 H 4.710 1.301 -8.002 1.00 . A A . 11 CYS HB3 1 1 6 3194 1 1 11 CYS N N 7.141 3.439 -6.994 1.00 . A A . 11 CYS N 1 1 6 3195 1 1 11 CYS O O 7.651 0.411 -8.594 1.00 . A A . 11 CYS O 1 1 6 3196 1 1 11 CYS SG S 4.049 2.736 -6.179 1.00 . A A . 11 CYS SG 1 1 6 3197 1 1 12 ASN C C 9.732 1.637 -10.316 1.00 . A A . 12 ASN C 1 1 6 3198 1 1 12 ASN CA C 8.323 2.097 -10.699 1.00 . A A . 12 ASN CA 1 1 6 3199 1 1 12 ASN CB C 8.457 3.277 -11.664 1.00 . A A . 12 ASN CB 1 1 6 3200 1 1 12 ASN CG C 9.233 2.873 -12.919 1.00 . A A . 12 ASN CG 1 1 6 3201 1 1 12 ASN H H 7.338 3.447 -9.455 1.00 . A A . 12 ASN H 1 1 6 3202 1 1 12 ASN HA H 7.731 1.299 -11.144 1.00 . A A . 12 ASN HA 1 1 6 3203 1 1 12 ASN HB2 H 7.467 3.635 -11.944 1.00 . A A . 12 ASN HB2 1 1 6 3204 1 1 12 ASN HB3 H 8.966 4.103 -11.167 1.00 . A A . 12 ASN HB3 1 1 6 3205 1 1 12 ASN HD21 H 9.262 4.820 -13.471 1.00 . A A . 12 ASN HD21 1 1 6 3206 1 1 12 ASN HD22 H 10.047 3.730 -14.563 1.00 . A A . 12 ASN HD22 1 1 6 3207 1 1 12 ASN N N 7.602 2.483 -9.498 1.00 . A A . 12 ASN N 1 1 6 3208 1 1 12 ASN ND2 N 9.539 3.891 -13.716 1.00 . A A . 12 ASN ND2 1 1 6 3209 1 1 12 ASN O O 10.137 0.525 -10.650 1.00 . A A . 12 ASN O 1 1 6 3210 1 1 12 ASN OD1 O 9.534 1.713 -13.148 1.00 . A A . 12 ASN OD1 1 1 6 3211 1 1 13 ASN C C 11.807 0.863 -8.475 1.00 . A A . 13 ASN C 1 1 6 3212 1 1 13 ASN CA C 11.794 2.215 -9.192 1.00 . A A . 13 ASN CA 1 1 6 3213 1 1 13 ASN CB C 12.309 3.273 -8.214 1.00 . A A . 13 ASN CB 1 1 6 3214 1 1 13 ASN CG C 11.977 4.683 -8.706 1.00 . A A . 13 ASN CG 1 1 6 3215 1 1 13 ASN H H 10.102 3.420 -9.355 1.00 . A A . 13 ASN H 1 1 6 3216 1 1 13 ASN HA H 12.390 2.209 -10.103 1.00 . A A . 13 ASN HA 1 1 6 3217 1 1 13 ASN HB2 H 11.865 3.113 -7.232 1.00 . A A . 13 ASN HB2 1 1 6 3218 1 1 13 ASN HB3 H 13.387 3.170 -8.096 1.00 . A A . 13 ASN HB3 1 1 6 3219 1 1 13 ASN HD21 H 12.128 5.335 -6.795 1.00 . A A . 13 ASN HD21 1 1 6 3220 1 1 13 ASN HD22 H 11.735 6.551 -7.965 1.00 . A A . 13 ASN HD22 1 1 6 3221 1 1 13 ASN N N 10.439 2.517 -9.622 1.00 . A A . 13 ASN N 1 1 6 3222 1 1 13 ASN ND2 N 11.944 5.599 -7.742 1.00 . A A . 13 ASN ND2 1 1 6 3223 1 1 13 ASN O O 12.713 0.058 -8.680 1.00 . A A . 13 ASN O 1 1 6 3224 1 1 13 ASN OD1 O 11.764 4.923 -9.883 1.00 . A A . 13 ASN OD1 1 1 6 3225 1 1 14 HIS C C 10.572 -1.762 -7.874 1.00 . A A . 14 HIS C 1 1 6 3226 1 1 14 HIS CA C 10.674 -0.584 -6.902 1.00 . A A . 14 HIS CA 1 1 6 3227 1 1 14 HIS CB C 9.499 -0.520 -5.923 1.00 . A A . 14 HIS CB 1 1 6 3228 1 1 14 HIS CD2 C 8.520 -2.778 -5.044 1.00 . A A . 14 HIS CD2 1 1 6 3229 1 1 14 HIS CE1 C 9.880 -3.071 -3.356 1.00 . A A . 14 HIS CE1 1 1 6 3230 1 1 14 HIS CG C 9.386 -1.725 -5.021 1.00 . A A . 14 HIS CG 1 1 6 3231 1 1 14 HIS H H 10.058 1.317 -7.490 1.00 . A A . 14 HIS H 1 1 6 3232 1 1 14 HIS HA H 11.588 -0.684 -6.318 1.00 . A A . 14 HIS HA 1 1 6 3233 1 1 14 HIS HB2 H 9.601 0.374 -5.308 1.00 . A A . 14 HIS HB2 1 1 6 3234 1 1 14 HIS HB3 H 8.575 -0.414 -6.489 1.00 . A A . 14 HIS HB3 1 1 6 3235 1 1 14 HIS HD1 H 10.979 -1.339 -3.661 1.00 . A A . 14 HIS HD1 1 1 6 3236 1 1 14 HIS HD2 H 7.717 -2.926 -5.766 1.00 . A A . 14 HIS HD2 1 1 6 3237 1 1 14 HIS HE1 H 10.354 -3.512 -2.479 1.00 . A A . 14 HIS HE1 1 1 6 3238 1 1 14 HIS N N 10.790 0.656 -7.650 1.00 . A A . 14 HIS N 1 1 6 3239 1 1 14 HIS ND1 N 10.231 -1.939 -3.945 1.00 . A A . 14 HIS ND1 1 1 6 3240 1 1 14 HIS NE2 N 8.819 -3.591 -4.039 1.00 . A A . 14 HIS NE2 1 1 6 3241 1 1 14 HIS O O 11.342 -2.715 -7.781 1.00 . A A . 14 HIS O 1 1 6 3242 1 1 15 CYS C C 10.746 -3.012 -10.436 1.00 . A A . 15 CYS C 1 1 6 3243 1 1 15 CYS CA C 9.403 -2.699 -9.773 1.00 . A A . 15 CYS CA 1 1 6 3244 1 1 15 CYS CB C 8.340 -2.299 -10.797 1.00 . A A . 15 CYS CB 1 1 6 3245 1 1 15 CYS H H 8.994 -0.875 -8.854 1.00 . A A . 15 CYS H 1 1 6 3246 1 1 15 CYS HA H 9.026 -3.567 -9.234 1.00 . A A . 15 CYS HA 1 1 6 3247 1 1 15 CYS HB2 H 8.742 -1.506 -11.428 1.00 . A A . 15 CYS HB2 1 1 6 3248 1 1 15 CYS HB3 H 8.143 -3.152 -11.447 1.00 . A A . 15 CYS HB3 1 1 6 3249 1 1 15 CYS N N 9.616 -1.654 -8.784 1.00 . A A . 15 CYS N 1 1 6 3250 1 1 15 CYS O O 11.048 -4.171 -10.716 1.00 . A A . 15 CYS O 1 1 6 3251 1 1 15 CYS SG S 6.757 -1.731 -10.079 1.00 . A A . 15 CYS SG 1 1 6 3252 1 1 16 LYS C C 13.767 -2.816 -10.324 1.00 . A A . 16 LYS C 1 1 6 3253 1 1 16 LYS CA C 12.819 -2.108 -11.294 1.00 . A A . 16 LYS CA 1 1 6 3254 1 1 16 LYS CB C 13.337 -0.753 -11.781 1.00 . A A . 16 LYS CB 1 1 6 3255 1 1 16 LYS CD C 12.462 0.653 -13.683 1.00 . A A . 16 LYS CD 1 1 6 3256 1 1 16 LYS CE C 13.562 1.716 -13.669 1.00 . A A . 16 LYS CE 1 1 6 3257 1 1 16 LYS CG C 12.187 0.128 -12.272 1.00 . A A . 16 LYS CG 1 1 6 3258 1 1 16 LYS H H 11.262 -1.020 -10.437 1.00 . A A . 16 LYS H 1 1 6 3259 1 1 16 LYS HA H 12.689 -2.739 -12.173 1.00 . A A . 16 LYS HA 1 1 6 3260 1 1 16 LYS HB2 H 13.867 -0.250 -10.973 1.00 . A A . 16 LYS HB2 1 1 6 3261 1 1 16 LYS HB3 H 14.055 -0.904 -12.587 1.00 . A A . 16 LYS HB3 1 1 6 3262 1 1 16 LYS HD2 H 12.758 -0.173 -14.330 1.00 . A A . 16 LYS HD2 1 1 6 3263 1 1 16 LYS HD3 H 11.549 1.075 -14.103 1.00 . A A . 16 LYS HD3 1 1 6 3264 1 1 16 LYS HE2 H 13.124 2.699 -13.497 1.00 . A A . 16 LYS HE2 1 1 6 3265 1 1 16 LYS HE3 H 14.249 1.525 -12.845 1.00 . A A . 16 LYS HE3 1 1 6 3266 1 1 16 LYS HG2 H 11.259 -0.442 -12.267 1.00 . A A . 16 LYS HG2 1 1 6 3267 1 1 16 LYS HG3 H 12.050 0.967 -11.589 1.00 . A A . 16 LYS HG3 1 1 6 3268 1 1 16 LYS HZ1 H 14.741 0.818 -15.134 1.00 . A A . 16 LYS HZ1 1 1 6 3269 1 1 16 LYS HZ2 H 13.696 1.911 -15.739 1.00 . A A . 16 LYS HZ2 1 1 6 3270 1 1 16 LYS N N 11.515 -1.960 -10.668 1.00 . A A . 16 LYS N 1 1 6 3271 1 1 16 LYS NZ N 14.302 1.713 -14.950 1.00 . A A . 16 LYS NZ 1 1 6 3272 1 1 16 LYS O O 14.686 -3.516 -10.747 1.00 . A A . 16 LYS O 1 1 6 3273 1 1 17 SER C C 14.108 -4.731 -7.986 1.00 . A A . 17 SER C 1 1 6 3274 1 1 17 SER CA C 14.332 -3.218 -8.007 1.00 . A A . 17 SER CA 1 1 6 3275 1 1 17 SER CB C 14.024 -2.617 -6.633 1.00 . A A . 17 SER CB 1 1 6 3276 1 1 17 SER H H 12.764 -2.037 -8.704 1.00 . A A . 17 SER H 1 1 6 3277 1 1 17 SER HA H 15.361 -2.987 -8.280 1.00 . A A . 17 SER HA 1 1 6 3278 1 1 17 SER HB2 H 13.642 -1.604 -6.758 1.00 . A A . 17 SER HB2 1 1 6 3279 1 1 17 SER HB3 H 13.236 -3.197 -6.152 1.00 . A A . 17 SER HB3 1 1 6 3280 1 1 17 SER HG H 15.654 -1.720 -5.897 1.00 . A A . 17 SER HG 1 1 6 3281 1 1 17 SER N N 13.512 -2.608 -9.040 1.00 . A A . 17 SER N 1 1 6 3282 1 1 17 SER O O 15.053 -5.500 -7.808 1.00 . A A . 17 SER O 1 1 6 3283 1 1 17 SER OG O 15.174 -2.591 -5.792 1.00 . A A . 17 SER OG 1 1 6 3284 1 1 18 ILE C C 12.806 -7.119 -9.549 1.00 . A A . 18 ILE C 1 1 6 3285 1 1 18 ILE CA C 12.494 -6.523 -8.174 1.00 . A A . 18 ILE CA 1 1 6 3286 1 1 18 ILE CB C 11.039 -6.705 -7.742 1.00 . A A . 18 ILE CB 1 1 6 3287 1 1 18 ILE CD1 C 8.705 -6.192 -8.548 1.00 . A A . 18 ILE CD1 1 1 6 3288 1 1 18 ILE CG1 C 10.099 -6.677 -8.949 1.00 . A A . 18 ILE CG1 1 1 6 3289 1 1 18 ILE CG2 C 10.646 -5.669 -6.686 1.00 . A A . 18 ILE CG2 1 1 6 3290 1 1 18 ILE H H 12.092 -4.483 -8.313 1.00 . A A . 18 ILE H 1 1 6 3291 1 1 18 ILE HA H 13.117 -7.022 -7.432 1.00 . A A . 18 ILE HA 1 1 6 3292 1 1 18 ILE HB H 10.940 -7.688 -7.280 1.00 . A A . 18 ILE HB 1 1 6 3293 1 1 18 ILE HD11 H 8.778 -5.198 -8.108 1.00 . A A . 18 ILE HD11 1 1 6 3294 1 1 18 ILE HD12 H 8.066 -6.153 -9.431 1.00 . A A . 18 ILE HD12 1 1 6 3295 1 1 18 ILE HD13 H 8.276 -6.881 -7.821 1.00 . A A . 18 ILE HD13 1 1 6 3296 1 1 18 ILE HG12 H 10.509 -6.022 -9.718 1.00 . A A . 18 ILE HG12 1 1 6 3297 1 1 18 ILE HG13 H 10.031 -7.674 -9.384 1.00 . A A . 18 ILE HG13 1 1 6 3298 1 1 18 ILE HG21 H 10.477 -4.706 -7.168 1.00 . A A . 18 ILE HG21 1 1 6 3299 1 1 18 ILE HG22 H 9.733 -5.990 -6.184 1.00 . A A . 18 ILE HG22 1 1 6 3300 1 1 18 ILE HG23 H 11.449 -5.574 -5.955 1.00 . A A . 18 ILE HG23 1 1 6 3301 1 1 18 ILE N N 12.854 -5.114 -8.170 1.00 . A A . 18 ILE N 1 1 6 3302 1 1 18 ILE O O 12.946 -8.334 -9.684 1.00 . A A . 18 ILE O 1 1 6 3303 1 1 19 SER C C 11.901 -6.986 -12.630 1.00 . A A . 19 SER C 1 1 6 3304 1 1 19 SER CA C 13.201 -6.663 -11.890 1.00 . A A . 19 SER CA 1 1 6 3305 1 1 19 SER CB C 14.133 -7.876 -11.899 1.00 . A A . 19 SER CB 1 1 6 3306 1 1 19 SER H H 12.794 -5.251 -10.413 1.00 . A A . 19 SER H 1 1 6 3307 1 1 19 SER HA H 13.705 -5.815 -12.355 1.00 . A A . 19 SER HA 1 1 6 3308 1 1 19 SER HB2 H 13.546 -8.785 -11.763 1.00 . A A . 19 SER HB2 1 1 6 3309 1 1 19 SER HB3 H 14.619 -7.953 -12.871 1.00 . A A . 19 SER HB3 1 1 6 3310 1 1 19 SER HG H 15.580 -6.905 -10.914 1.00 . A A . 19 SER HG 1 1 6 3311 1 1 19 SER N N 12.907 -6.238 -10.533 1.00 . A A . 19 SER N 1 1 6 3312 1 1 19 SER O O 11.650 -8.139 -12.975 1.00 . A A . 19 SER O 1 1 6 3313 1 1 19 SER OG O 15.125 -7.795 -10.879 1.00 . A A . 19 SER OG 1 1 6 3314 1 1 20 CYS C C 9.827 -5.157 -14.743 1.00 . A A . 20 CYS C 1 1 6 3315 1 1 20 CYS CA C 9.843 -6.106 -13.544 1.00 . A A . 20 CYS CA 1 1 6 3316 1 1 20 CYS CB C 8.654 -5.865 -12.610 1.00 . A A . 20 CYS CB 1 1 6 3317 1 1 20 CYS H H 11.321 -5.012 -12.567 1.00 . A A . 20 CYS H 1 1 6 3318 1 1 20 CYS HA H 9.793 -7.145 -13.871 1.00 . A A . 20 CYS HA 1 1 6 3319 1 1 20 CYS HB2 H 9.005 -5.329 -11.730 1.00 . A A . 20 CYS HB2 1 1 6 3320 1 1 20 CYS HB3 H 7.939 -5.216 -13.116 1.00 . A A . 20 CYS HB3 1 1 6 3321 1 1 20 CYS N N 11.110 -5.947 -12.852 1.00 . A A . 20 CYS N 1 1 6 3322 1 1 20 CYS O O 10.273 -5.518 -15.831 1.00 . A A . 20 CYS O 1 1 6 3323 1 1 20 CYS SG S 7.785 -7.382 -12.066 1.00 . A A . 20 CYS SG 1 1 6 3324 1 1 21 ARG C C 8.826 -1.605 -14.961 1.00 . A A . 21 ARG C 1 1 6 3325 1 1 21 ARG CA C 9.230 -2.957 -15.552 1.00 . A A . 21 ARG CA 1 1 6 3326 1 1 21 ARG CB C 8.218 -3.360 -16.625 1.00 . A A . 21 ARG CB 1 1 6 3327 1 1 21 ARG CD C 9.841 -2.277 -18.224 1.00 . A A . 21 ARG CD 1 1 6 3328 1 1 21 ARG CG C 8.367 -2.488 -17.874 1.00 . A A . 21 ARG CG 1 1 6 3329 1 1 21 ARG CZ C 9.872 -0.732 -20.189 1.00 . A A . 21 ARG CZ 1 1 6 3330 1 1 21 ARG H H 8.948 -3.675 -13.617 1.00 . A A . 21 ARG H 1 1 6 3331 1 1 21 ARG HA H 10.234 -2.916 -15.975 1.00 . A A . 21 ARG HA 1 1 6 3332 1 1 21 ARG HB2 H 8.361 -4.407 -16.890 1.00 . A A . 21 ARG HB2 1 1 6 3333 1 1 21 ARG HB3 H 7.206 -3.266 -16.231 1.00 . A A . 21 ARG HB3 1 1 6 3334 1 1 21 ARG HD2 H 10.251 -1.461 -17.629 1.00 . A A . 21 ARG HD2 1 1 6 3335 1 1 21 ARG HD3 H 10.414 -3.172 -17.976 1.00 . A A . 21 ARG HD3 1 1 6 3336 1 1 21 ARG HE H 10.168 -2.729 -20.289 1.00 . A A . 21 ARG HE 1 1 6 3337 1 1 21 ARG HG2 H 7.853 -2.957 -18.713 1.00 . A A . 21 ARG HG2 1 1 6 3338 1 1 21 ARG HG3 H 7.887 -1.524 -17.708 1.00 . A A . 21 ARG HG3 1 1 6 3339 1 1 21 ARG HH11 H 9.514 0.201 -18.407 1.00 . A A . 21 ARG HH11 1 1 6 3340 1 1 21 ARG HH12 H 9.541 1.244 -19.790 1.00 . A A . 21 ARG HH12 1 1 6 3341 1 1 21 ARG HH21 H 9.950 0.308 -21.958 1.00 . A A . 21 ARG HH21 1 1 6 3342 1 1 21 ARG N N 9.309 -3.961 -14.505 1.00 . A A . 21 ARG N 1 1 6 3343 1 1 21 ARG NE N 9.981 -1.971 -19.665 1.00 . A A . 21 ARG NE 1 1 6 3344 1 1 21 ARG NH1 N 9.621 0.330 -19.394 1.00 . A A . 21 ARG NH1 1 1 6 3345 1 1 21 ARG NH2 N 10.016 -0.574 -21.492 1.00 . A A . 21 ARG NH2 1 1 6 3346 1 1 21 ARG O O 9.627 -0.672 -14.933 1.00 . A A . 21 ARG O 1 1 6 3347 1 1 22 ALA C C 5.652 -0.575 -13.384 1.00 . A A . 22 ALA C 1 1 6 3348 1 1 22 ALA CA C 7.063 -0.319 -13.916 1.00 . A A . 22 ALA CA 1 1 6 3349 1 1 22 ALA CB C 7.100 0.803 -14.956 1.00 . A A . 22 ALA CB 1 1 6 3350 1 1 22 ALA H H 6.939 -2.306 -14.531 1.00 . A A . 22 ALA H 1 1 6 3351 1 1 22 ALA HA H 7.714 -0.048 -13.084 1.00 . A A . 22 ALA HA 1 1 6 3352 1 1 22 ALA HB1 H 6.157 0.824 -15.501 1.00 . A A . 22 ALA HB1 1 1 6 3353 1 1 22 ALA HB2 H 7.251 1.758 -14.453 1.00 . A A . 22 ALA HB2 1 1 6 3354 1 1 22 ALA HB3 H 7.919 0.627 -15.653 1.00 . A A . 22 ALA HB3 1 1 6 3355 1 1 22 ALA N N 7.583 -1.542 -14.505 1.00 . A A . 22 ALA N 1 1 6 3356 1 1 22 ALA O O 4.863 -1.276 -14.016 1.00 . A A . 22 ALA O 1 1 6 3357 1 1 23 GLY C C 3.390 1.206 -11.412 1.00 . A A . 23 GLY C 1 1 6 3358 1 1 23 GLY CA C 4.074 -0.149 -11.601 1.00 . A A . 23 GLY CA 1 1 6 3359 1 1 23 GLY H H 6.024 0.576 -11.718 1.00 . A A . 23 GLY H 1 1 6 3360 1 1 23 GLY HA2 H 3.447 -0.795 -12.215 1.00 . A A . 23 GLY HA2 1 1 6 3361 1 1 23 GLY HA3 H 4.187 -0.641 -10.635 1.00 . A A . 23 GLY HA3 1 1 6 3362 1 1 23 GLY N N 5.376 0.007 -12.225 1.00 . A A . 23 GLY N 1 1 6 3363 1 1 23 GLY O O 3.810 2.204 -11.996 1.00 . A A . 23 GLY O 1 1 6 3364 1 1 24 TYR C C 0.771 2.275 -9.045 1.00 . A A . 24 TYR C 1 1 6 3365 1 1 24 TYR CA C 1.603 2.415 -10.321 1.00 . A A . 24 TYR CA 1 1 6 3366 1 1 24 TYR CB C 0.660 2.608 -11.510 1.00 . A A . 24 TYR CB 1 1 6 3367 1 1 24 TYR CD1 C -1.338 1.252 -10.787 1.00 . A A . 24 TYR CD1 1 1 6 3368 1 1 24 TYR CD2 C -0.225 0.639 -12.812 1.00 . A A . 24 TYR CD2 1 1 6 3369 1 1 24 TYR CE1 C -2.273 0.173 -10.973 1.00 . A A . 24 TYR CE1 1 1 6 3370 1 1 24 TYR CE2 C -1.160 -0.441 -12.998 1.00 . A A . 24 TYR CE2 1 1 6 3371 1 1 24 TYR CG C -0.333 1.462 -11.709 1.00 . A A . 24 TYR CG 1 1 6 3372 1 1 24 TYR CZ C -2.138 -0.619 -12.070 1.00 . A A . 24 TYR CZ 1 1 6 3373 1 1 24 TYR H H 2.013 0.384 -10.122 1.00 . A A . 24 TYR H 1 1 6 3374 1 1 24 TYR HA H 2.319 3.227 -10.191 1.00 . A A . 24 TYR HA 1 1 6 3375 1 1 24 TYR HB2 H 0.105 3.537 -11.375 1.00 . A A . 24 TYR HB2 1 1 6 3376 1 1 24 TYR HB3 H 1.255 2.721 -12.417 1.00 . A A . 24 TYR HB3 1 1 6 3377 1 1 24 TYR HD1 H -1.424 1.902 -9.917 1.00 . A A . 24 TYR HD1 1 1 6 3378 1 1 24 TYR HD2 H 0.569 0.804 -13.540 1.00 . A A . 24 TYR HD2 1 1 6 3379 1 1 24 TYR HE1 H -3.071 -0.004 -10.253 1.00 . A A . 24 TYR HE1 1 1 6 3380 1 1 24 TYR HE2 H -1.085 -1.099 -13.864 1.00 . A A . 24 TYR HE2 1 1 6 3381 1 1 24 TYR HH H -2.769 -2.414 -11.668 1.00 . A A . 24 TYR HH 1 1 6 3382 1 1 24 TYR N N 2.349 1.199 -10.593 1.00 . A A . 24 TYR N 1 1 6 3383 1 1 24 TYR O O 0.609 1.172 -8.524 1.00 . A A . 24 TYR O 1 1 6 3384 1 1 24 TYR OH O -3.021 -1.639 -12.247 1.00 . A A . 24 TYR OH 1 1 6 3385 1 1 25 CYS C C -1.995 3.133 -7.764 1.00 . A A . 25 CYS C 1 1 6 3386 1 1 25 CYS CA C -0.545 3.423 -7.371 1.00 . A A . 25 CYS CA 1 1 6 3387 1 1 25 CYS CB C -0.412 4.748 -6.618 1.00 . A A . 25 CYS CB 1 1 6 3388 1 1 25 CYS H H 0.402 4.299 -9.007 1.00 . A A . 25 CYS H 1 1 6 3389 1 1 25 CYS HA H -0.155 2.639 -6.721 1.00 . A A . 25 CYS HA 1 1 6 3390 1 1 25 CYS HB2 H -0.959 5.517 -7.164 1.00 . A A . 25 CYS HB2 1 1 6 3391 1 1 25 CYS HB3 H -0.892 4.646 -5.645 1.00 . A A . 25 CYS HB3 1 1 6 3392 1 1 25 CYS N N 0.266 3.407 -8.577 1.00 . A A . 25 CYS N 1 1 6 3393 1 1 25 CYS O O -2.612 3.907 -8.494 1.00 . A A . 25 CYS O 1 1 6 3394 1 1 25 CYS SG S 1.309 5.319 -6.368 1.00 . A A . 25 CYS SG 1 1 6 3395 1 1 26 ASP C C -4.767 2.846 -7.543 1.00 . A A . 26 ASP C 1 1 6 3396 1 1 26 ASP CA C -3.864 1.612 -7.551 1.00 . A A . 26 ASP CA 1 1 6 3397 1 1 26 ASP CB C -4.386 0.637 -6.494 1.00 . A A . 26 ASP CB 1 1 6 3398 1 1 26 ASP CG C -4.910 -0.691 -7.042 1.00 . A A . 26 ASP CG 1 1 6 3399 1 1 26 ASP H H -1.989 1.389 -6.669 1.00 . A A . 26 ASP H 1 1 6 3400 1 1 26 ASP HA H -3.821 1.133 -8.529 1.00 . A A . 26 ASP HA 1 1 6 3401 1 1 26 ASP HB2 H -3.584 0.430 -5.785 1.00 . A A . 26 ASP HB2 1 1 6 3402 1 1 26 ASP HB3 H -5.186 1.123 -5.936 1.00 . A A . 26 ASP HB3 1 1 6 3403 1 1 26 ASP HD2 H -6.688 -0.101 -6.852 1.00 . A A . 26 ASP HD2 1 1 6 3404 1 1 26 ASP N N -2.498 2.014 -7.262 1.00 . A A . 26 ASP N 1 1 6 3405 1 1 26 ASP O O -5.199 3.297 -6.483 1.00 . A A . 26 ASP O 1 1 6 3406 1 1 26 ASP OD1 O -4.189 -1.700 -7.070 1.00 . A A . 26 ASP OD1 1 1 6 3407 1 1 26 ASP OD2 O -6.130 -0.666 -7.459 1.00 . A A . 26 ASP OD2 1 1 6 3408 1 1 27 ALA C C -7.277 4.209 -8.372 1.00 . A A . 27 ALA C 1 1 6 3409 1 1 27 ALA CA C -5.870 4.533 -8.881 1.00 . A A . 27 ALA CA 1 1 6 3410 1 1 27 ALA CB C -5.868 4.988 -10.341 1.00 . A A . 27 ALA CB 1 1 6 3411 1 1 27 ALA H H -4.670 2.987 -9.594 1.00 . A A . 27 ALA H 1 1 6 3412 1 1 27 ALA HA H -5.444 5.326 -8.265 1.00 . A A . 27 ALA HA 1 1 6 3413 1 1 27 ALA HB1 H -4.926 5.491 -10.563 1.00 . A A . 27 ALA HB1 1 1 6 3414 1 1 27 ALA HB2 H -5.978 4.121 -10.992 1.00 . A A . 27 ALA HB2 1 1 6 3415 1 1 27 ALA HB3 H -6.696 5.676 -10.508 1.00 . A A . 27 ALA HB3 1 1 6 3416 1 1 27 ALA N N -5.026 3.359 -8.736 1.00 . A A . 27 ALA N 1 1 6 3417 1 1 27 ALA O O -8.098 5.107 -8.195 1.00 . A A . 27 ALA O 1 1 6 3418 1 1 28 ALA C C -8.766 2.371 -6.143 1.00 . A A . 28 ALA C 1 1 6 3419 1 1 28 ALA CA C -8.804 2.470 -7.670 1.00 . A A . 28 ALA CA 1 1 6 3420 1 1 28 ALA CB C -9.159 1.139 -8.333 1.00 . A A . 28 ALA CB 1 1 6 3421 1 1 28 ALA H H -6.837 2.199 -8.300 1.00 . A A . 28 ALA H 1 1 6 3422 1 1 28 ALA HA H -9.546 3.215 -7.958 1.00 . A A . 28 ALA HA 1 1 6 3423 1 1 28 ALA HB1 H -9.931 1.302 -9.085 1.00 . A A . 28 ALA HB1 1 1 6 3424 1 1 28 ALA HB2 H -8.271 0.722 -8.808 1.00 . A A . 28 ALA HB2 1 1 6 3425 1 1 28 ALA HB3 H -9.528 0.444 -7.578 1.00 . A A . 28 ALA HB3 1 1 6 3426 1 1 28 ALA N N -7.511 2.924 -8.153 1.00 . A A . 28 ALA N 1 1 6 3427 1 1 28 ALA O O -9.765 2.021 -5.516 1.00 . A A . 28 ALA O 1 1 6 3428 1 1 29 THR C C -6.905 3.975 -3.630 1.00 . A A . 29 THR C 1 1 6 3429 1 1 29 THR CA C -7.422 2.632 -4.149 1.00 . A A . 29 THR CA 1 1 6 3430 1 1 29 THR CB C -6.494 1.458 -3.830 1.00 . A A . 29 THR CB 1 1 6 3431 1 1 29 THR CG2 C -5.042 1.896 -3.633 1.00 . A A . 29 THR CG2 1 1 6 3432 1 1 29 THR H H -6.796 2.965 -6.108 1.00 . A A . 29 THR H 1 1 6 3433 1 1 29 THR HA H -8.394 2.463 -3.686 1.00 . A A . 29 THR HA 1 1 6 3434 1 1 29 THR HB H -6.568 0.685 -4.596 1.00 . A A . 29 THR HB 1 1 6 3435 1 1 29 THR HG1 H -7.123 0.055 -2.549 1.00 . A A . 29 THR HG1 1 1 6 3436 1 1 29 THR HG21 H -4.377 1.179 -4.114 1.00 . A A . 29 THR HG21 1 1 6 3437 1 1 29 THR HG22 H -4.896 2.881 -4.077 1.00 . A A . 29 THR HG22 1 1 6 3438 1 1 29 THR HG23 H -4.817 1.942 -2.568 1.00 . A A . 29 THR HG23 1 1 6 3439 1 1 29 THR N N -7.603 2.682 -5.590 1.00 . A A . 29 THR N 1 1 6 3440 1 1 29 THR O O -6.312 4.041 -2.554 1.00 . A A . 29 THR O 1 1 6 3441 1 1 29 THR OG1 O -6.907 1.032 -2.535 1.00 . A A . 29 THR OG1 1 1 6 3442 1 1 30 LEU C C -5.185 6.414 -4.099 1.00 . A A . 30 LEU C 1 1 6 3443 1 1 30 LEU CA C -6.712 6.348 -4.051 1.00 . A A . 30 LEU CA 1 1 6 3444 1 1 30 LEU CB C -7.303 6.751 -2.698 1.00 . A A . 30 LEU CB 1 1 6 3445 1 1 30 LEU CD1 C -9.273 6.936 -1.134 1.00 . A A . 30 LEU CD1 1 1 6 3446 1 1 30 LEU CD2 C -9.556 7.427 -3.606 1.00 . A A . 30 LEU CD2 1 1 6 3447 1 1 30 LEU CG C -8.819 6.596 -2.555 1.00 . A A . 30 LEU CG 1 1 6 3448 1 1 30 LEU H H -7.629 4.949 -5.292 1.00 . A A . 30 LEU H 1 1 6 3449 1 1 30 LEU HA H -7.112 7.037 -4.795 1.00 . A A . 30 LEU HA 1 1 6 3450 1 1 30 LEU HB2 H -6.822 6.155 -1.922 1.00 . A A . 30 LEU HB2 1 1 6 3451 1 1 30 LEU HB3 H -7.044 7.792 -2.506 1.00 . A A . 30 LEU HB3 1 1 6 3452 1 1 30 LEU HD11 H -9.982 7.763 -1.167 1.00 . A A . 30 LEU HD11 1 1 6 3453 1 1 30 LEU HD12 H -9.752 6.065 -0.687 1.00 . A A . 30 LEU HD12 1 1 6 3454 1 1 30 LEU HD13 H -8.408 7.223 -0.535 1.00 . A A . 30 LEU HD13 1 1 6 3455 1 1 30 LEU HD21 H -9.639 6.854 -4.530 1.00 . A A . 30 LEU HD21 1 1 6 3456 1 1 30 LEU HD22 H -10.552 7.674 -3.241 1.00 . A A . 30 LEU HD22 1 1 6 3457 1 1 30 LEU HD23 H -9.001 8.346 -3.798 1.00 . A A . 30 LEU HD23 1 1 6 3458 1 1 30 LEU HG H -9.074 5.552 -2.733 1.00 . A A . 30 LEU HG 1 1 6 3459 1 1 30 LEU N N -7.147 5.011 -4.418 1.00 . A A . 30 LEU N 1 1 6 3460 1 1 30 LEU O O -4.560 7.043 -3.246 1.00 . A A . 30 LEU O 1 1 6 3461 1 1 31 TRP C C -2.548 5.556 -3.896 1.00 . A A . 31 TRP C 1 1 6 3462 1 1 31 TRP CA C -3.184 5.734 -5.276 1.00 . A A . 31 TRP CA 1 1 6 3463 1 1 31 TRP CB C -2.697 6.990 -6.002 1.00 . A A . 31 TRP CB 1 1 6 3464 1 1 31 TRP CD1 C -2.548 6.946 -8.578 1.00 . A A . 31 TRP CD1 1 1 6 3465 1 1 31 TRP CD2 C -4.565 7.474 -7.827 1.00 . A A . 31 TRP CD2 1 1 6 3466 1 1 31 TRP CE2 C -4.621 7.486 -9.207 1.00 . A A . 31 TRP CE2 1 1 6 3467 1 1 31 TRP CE3 C -5.694 7.771 -7.046 1.00 . A A . 31 TRP CE3 1 1 6 3468 1 1 31 TRP CG C -3.221 7.124 -7.433 1.00 . A A . 31 TRP CG 1 1 6 3469 1 1 31 TRP CH2 C -6.922 8.087 -9.165 1.00 . A A . 31 TRP CH2 1 1 6 3470 1 1 31 TRP CZ2 C -5.784 7.789 -9.923 1.00 . A A . 31 TRP CZ2 1 1 6 3471 1 1 31 TRP CZ3 C -6.849 8.072 -7.778 1.00 . A A . 31 TRP CZ3 1 1 6 3472 1 1 31 TRP H H -5.142 5.249 -5.795 1.00 . A A . 31 TRP H 1 1 6 3473 1 1 31 TRP HA H -2.938 4.884 -5.913 1.00 . A A . 31 TRP HA 1 1 6 3474 1 1 31 TRP HB2 H -3.001 7.868 -5.431 1.00 . A A . 31 TRP HB2 1 1 6 3475 1 1 31 TRP HB3 H -1.607 6.986 -6.024 1.00 . A A . 31 TRP HB3 1 1 6 3476 1 1 31 TRP HD1 H -1.495 6.670 -8.634 1.00 . A A . 31 TRP HD1 1 1 6 3477 1 1 31 TRP HE1 H -3.056 7.075 -10.723 1.00 . A A . 31 TRP HE1 1 1 6 3478 1 1 31 TRP HE3 H -5.676 7.768 -5.956 1.00 . A A . 31 TRP HE3 1 1 6 3479 1 1 31 TRP HH2 H -7.862 8.332 -9.662 1.00 . A A . 31 TRP HH2 1 1 6 3480 1 1 31 TRP HZ2 H -5.803 7.791 -11.014 1.00 . A A . 31 TRP HZ2 1 1 6 3481 1 1 31 TRP HZ3 H -7.755 8.310 -7.220 1.00 . A A . 31 TRP HZ3 1 1 6 3482 1 1 31 TRP N N -4.627 5.758 -5.105 1.00 . A A . 31 TRP N 1 1 6 3483 1 1 31 TRP NE1 N -3.355 7.155 -9.677 1.00 . A A . 31 TRP NE1 1 1 6 3484 1 1 31 TRP O O -1.980 6.499 -3.344 1.00 . A A . 31 TRP O 1 1 6 3485 1 1 32 LEU C C -1.187 2.813 -2.194 1.00 . A A . 32 LEU C 1 1 6 3486 1 1 32 LEU CA C -2.107 4.031 -2.072 1.00 . A A . 32 LEU CA 1 1 6 3487 1 1 32 LEU CB C -3.224 3.857 -1.041 1.00 . A A . 32 LEU CB 1 1 6 3488 1 1 32 LEU CD1 C -1.538 3.523 0.805 1.00 . A A . 32 LEU CD1 1 1 6 3489 1 1 32 LEU CD2 C -4.000 3.086 1.231 1.00 . A A . 32 LEU CD2 1 1 6 3490 1 1 32 LEU CG C -2.864 3.047 0.207 1.00 . A A . 32 LEU CG 1 1 6 3491 1 1 32 LEU H H -3.128 3.583 -3.833 1.00 . A A . 32 LEU H 1 1 6 3492 1 1 32 LEU HA H -1.508 4.885 -1.759 1.00 . A A . 32 LEU HA 1 1 6 3493 1 1 32 LEU HB2 H -3.557 4.846 -0.726 1.00 . A A . 32 LEU HB2 1 1 6 3494 1 1 32 LEU HB3 H -4.071 3.376 -1.530 1.00 . A A . 32 LEU HB3 1 1 6 3495 1 1 32 LEU HD11 H -0.985 4.089 0.056 1.00 . A A . 32 LEU HD11 1 1 6 3496 1 1 32 LEU HD12 H -1.736 4.158 1.668 1.00 . A A . 32 LEU HD12 1 1 6 3497 1 1 32 LEU HD13 H -0.950 2.659 1.116 1.00 . A A . 32 LEU HD13 1 1 6 3498 1 1 32 LEU HD21 H -4.606 3.977 1.069 1.00 . A A . 32 LEU HD21 1 1 6 3499 1 1 32 LEU HD22 H -4.622 2.198 1.116 1.00 . A A . 32 LEU HD22 1 1 6 3500 1 1 32 LEU HD23 H -3.582 3.108 2.237 1.00 . A A . 32 LEU HD23 1 1 6 3501 1 1 32 LEU HG H -2.729 2.007 -0.087 1.00 . A A . 32 LEU HG 1 1 6 3502 1 1 32 LEU N N -2.664 4.343 -3.378 1.00 . A A . 32 LEU N 1 1 6 3503 1 1 32 LEU O O -0.099 2.794 -1.621 1.00 . A A . 32 LEU O 1 1 6 3504 1 1 33 ARG C C 0.207 0.842 -4.186 1.00 . A A . 33 ARG C 1 1 6 3505 1 1 33 ARG CA C -0.892 0.610 -3.147 1.00 . A A . 33 ARG CA 1 1 6 3506 1 1 33 ARG CB C -1.792 -0.535 -3.615 1.00 . A A . 33 ARG CB 1 1 6 3507 1 1 33 ARG CD C -3.053 -2.577 -2.840 1.00 . A A . 33 ARG CD 1 1 6 3508 1 1 33 ARG CG C -1.891 -1.625 -2.546 1.00 . A A . 33 ARG CG 1 1 6 3509 1 1 33 ARG CZ C -3.721 -3.301 -0.541 1.00 . A A . 33 ARG CZ 1 1 6 3510 1 1 33 ARG H H -2.545 1.852 -3.406 1.00 . A A . 33 ARG H 1 1 6 3511 1 1 33 ARG HA H -0.467 0.381 -2.170 1.00 . A A . 33 ARG HA 1 1 6 3512 1 1 33 ARG HB2 H -2.787 -0.152 -3.842 1.00 . A A . 33 ARG HB2 1 1 6 3513 1 1 33 ARG HB3 H -1.397 -0.961 -4.537 1.00 . A A . 33 ARG HB3 1 1 6 3514 1 1 33 ARG HD2 H -3.980 -2.013 -2.941 1.00 . A A . 33 ARG HD2 1 1 6 3515 1 1 33 ARG HD3 H -2.886 -3.087 -3.789 1.00 . A A . 33 ARG HD3 1 1 6 3516 1 1 33 ARG HE H -2.851 -4.498 -1.920 1.00 . A A . 33 ARG HE 1 1 6 3517 1 1 33 ARG HG2 H -0.958 -2.187 -2.506 1.00 . A A . 33 ARG HG2 1 1 6 3518 1 1 33 ARG HG3 H -2.031 -1.168 -1.567 1.00 . A A . 33 ARG HG3 1 1 6 3519 1 1 33 ARG HH11 H -4.131 -1.341 -0.945 1.00 . A A . 33 ARG HH11 1 1 6 3520 1 1 33 ARG HH12 H -4.582 -1.874 0.640 1.00 . A A . 33 ARG HH12 1 1 6 3521 1 1 33 ARG HH21 H -4.169 -4.147 1.275 1.00 . A A . 33 ARG HH21 1 1 6 3522 1 1 33 ARG N N -1.659 1.828 -2.944 1.00 . A A . 33 ARG N 1 1 6 3523 1 1 33 ARG NE N -3.183 -3.570 -1.750 1.00 . A A . 33 ARG NE 1 1 6 3524 1 1 33 ARG NH1 N -4.185 -2.066 -0.258 1.00 . A A . 33 ARG NH1 1 1 6 3525 1 1 33 ARG NH2 N -3.787 -4.264 0.359 1.00 . A A . 33 ARG NH2 1 1 6 3526 1 1 33 ARG O O 0.327 1.937 -4.733 1.00 . A A . 33 ARG O 1 1 6 3527 1 1 34 CYS C C 2.085 -1.429 -6.195 1.00 . A A . 34 CYS C 1 1 6 3528 1 1 34 CYS CA C 2.067 -0.130 -5.388 1.00 . A A . 34 CYS CA 1 1 6 3529 1 1 34 CYS CB C 3.411 0.137 -4.706 1.00 . A A . 34 CYS CB 1 1 6 3530 1 1 34 CYS H H 0.877 -1.092 -3.975 1.00 . A A . 34 CYS H 1 1 6 3531 1 1 34 CYS HA H 1.855 0.723 -6.033 1.00 . A A . 34 CYS HA 1 1 6 3532 1 1 34 CYS HB2 H 3.355 -0.213 -3.676 1.00 . A A . 34 CYS HB2 1 1 6 3533 1 1 34 CYS HB3 H 4.179 -0.454 -5.204 1.00 . A A . 34 CYS HB3 1 1 6 3534 1 1 34 CYS N N 0.982 -0.205 -4.425 1.00 . A A . 34 CYS N 1 1 6 3535 1 1 34 CYS O O 2.797 -2.370 -5.847 1.00 . A A . 34 CYS O 1 1 6 3536 1 1 34 CYS SG S 3.934 1.891 -4.701 1.00 . A A . 34 CYS SG 1 1 6 3537 1 1 35 THR C C 2.254 -2.526 -9.232 1.00 . A A . 35 THR C 1 1 6 3538 1 1 35 THR CA C 1.210 -2.608 -8.117 1.00 . A A . 35 THR CA 1 1 6 3539 1 1 35 THR CB C -0.226 -2.711 -8.636 1.00 . A A . 35 THR CB 1 1 6 3540 1 1 35 THR CG2 C -0.301 -2.665 -10.163 1.00 . A A . 35 THR CG2 1 1 6 3541 1 1 35 THR H H 0.718 -0.669 -7.534 1.00 . A A . 35 THR H 1 1 6 3542 1 1 35 THR HA H 1.446 -3.490 -7.522 1.00 . A A . 35 THR HA 1 1 6 3543 1 1 35 THR HB H -0.856 -1.942 -8.192 1.00 . A A . 35 THR HB 1 1 6 3544 1 1 35 THR HG1 H -1.276 -4.028 -7.557 1.00 . A A . 35 THR HG1 1 1 6 3545 1 1 35 THR HG21 H -0.127 -1.645 -10.505 1.00 . A A . 35 THR HG21 1 1 6 3546 1 1 35 THR HG22 H 0.458 -3.324 -10.585 1.00 . A A . 35 THR HG22 1 1 6 3547 1 1 35 THR HG23 H -1.288 -2.994 -10.489 1.00 . A A . 35 THR HG23 1 1 6 3548 1 1 35 THR N N 1.294 -1.439 -7.258 1.00 . A A . 35 THR N 1 1 6 3549 1 1 35 THR O O 2.296 -1.549 -9.978 1.00 . A A . 35 THR O 1 1 6 3550 1 1 35 THR OG1 O -0.618 -4.041 -8.309 1.00 . A A . 35 THR OG1 1 1 6 3551 1 1 36 CYS C C 3.517 -4.237 -11.591 1.00 . A A . 36 CYS C 1 1 6 3552 1 1 36 CYS CA C 4.114 -3.624 -10.322 1.00 . A A . 36 CYS CA 1 1 6 3553 1 1 36 CYS CB C 5.336 -4.402 -9.831 1.00 . A A . 36 CYS CB 1 1 6 3554 1 1 36 CYS H H 3.031 -4.357 -8.701 1.00 . A A . 36 CYS H 1 1 6 3555 1 1 36 CYS HA H 4.434 -2.597 -10.502 1.00 . A A . 36 CYS HA 1 1 6 3556 1 1 36 CYS HB2 H 4.994 -5.272 -9.270 1.00 . A A . 36 CYS HB2 1 1 6 3557 1 1 36 CYS HB3 H 5.882 -4.777 -10.697 1.00 . A A . 36 CYS HB3 1 1 6 3558 1 1 36 CYS N N 3.072 -3.566 -9.311 1.00 . A A . 36 CYS N 1 1 6 3559 1 1 36 CYS O O 2.990 -5.348 -11.559 1.00 . A A . 36 CYS O 1 1 6 3560 1 1 36 CYS SG S 6.487 -3.442 -8.782 1.00 . A A . 36 CYS SG 1 1 6 3561 1 1 37 THR C C 4.239 -4.129 -14.960 1.00 . A A . 37 THR C 1 1 6 3562 1 1 37 THR CA C 3.101 -3.943 -13.955 1.00 . A A . 37 THR CA 1 1 6 3563 1 1 37 THR CB C 2.040 -2.942 -14.417 1.00 . A A . 37 THR CB 1 1 6 3564 1 1 37 THR CG2 C 0.732 -3.071 -13.634 1.00 . A A . 37 THR CG2 1 1 6 3565 1 1 37 THR H H 4.053 -2.585 -12.696 1.00 . A A . 37 THR H 1 1 6 3566 1 1 37 THR HA H 2.640 -4.920 -13.808 1.00 . A A . 37 THR HA 1 1 6 3567 1 1 37 THR HB H 1.862 -3.031 -15.489 1.00 . A A . 37 THR HB 1 1 6 3568 1 1 37 THR HG1 H 1.923 -0.949 -14.274 1.00 . A A . 37 THR HG1 1 1 6 3569 1 1 37 THR HG21 H 0.846 -3.830 -12.860 1.00 . A A . 37 THR HG21 1 1 6 3570 1 1 37 THR HG22 H 0.489 -2.114 -13.172 1.00 . A A . 37 THR HG22 1 1 6 3571 1 1 37 THR HG23 H -0.070 -3.361 -14.312 1.00 . A A . 37 THR HG23 1 1 6 3572 1 1 37 THR N N 3.623 -3.487 -12.678 1.00 . A A . 37 THR N 1 1 6 3573 1 1 37 THR O O 5.279 -3.483 -14.852 1.00 . A A . 37 THR O 1 1 6 3574 1 1 37 THR OG1 O 2.560 -1.677 -14.019 1.00 . A A . 37 THR OG1 1 1 6 3575 1 1 38 ASP C C 6.256 -5.862 -16.281 1.00 . A A . 38 ASP C 1 1 6 3576 1 1 38 ASP CA C 4.995 -5.297 -16.939 1.00 . A A . 38 ASP CA 1 1 6 3577 1 1 38 ASP CB C 5.383 -4.024 -17.692 1.00 . A A . 38 ASP CB 1 1 6 3578 1 1 38 ASP CG C 4.511 -3.698 -18.905 1.00 . A A . 38 ASP CG 1 1 6 3579 1 1 38 ASP H H 3.154 -5.539 -15.996 1.00 . A A . 38 ASP H 1 1 6 3580 1 1 38 ASP HA H 4.519 -6.013 -17.611 1.00 . A A . 38 ASP HA 1 1 6 3581 1 1 38 ASP HB2 H 5.344 -3.183 -16.999 1.00 . A A . 38 ASP HB2 1 1 6 3582 1 1 38 ASP HB3 H 6.418 -4.117 -18.022 1.00 . A A . 38 ASP HB3 1 1 6 3583 1 1 38 ASP HD2 H 2.866 -2.964 -18.352 1.00 . A A . 38 ASP HD2 1 1 6 3584 1 1 38 ASP N N 4.002 -5.017 -15.915 1.00 . A A . 38 ASP N 1 1 6 3585 1 1 38 ASP O O 6.826 -5.236 -15.388 1.00 . A A . 38 ASP O 1 1 6 3586 1 1 38 ASP OD1 O 4.569 -4.382 -19.937 1.00 . A A . 38 ASP OD1 1 1 6 3587 1 1 38 ASP OD2 O 3.734 -2.678 -18.759 1.00 . A A . 38 ASP OD2 1 1 6 3588 1 1 39 CYS C C 8.464 -8.529 -17.329 1.00 . A A . 39 CYS C 1 1 6 3589 1 1 39 CYS CA C 7.835 -7.691 -16.213 1.00 . A A . 39 CYS CA 1 1 6 3590 1 1 39 CYS CB C 7.507 -8.537 -14.981 1.00 . A A . 39 CYS CB 1 1 6 3591 1 1 39 CYS H H 6.182 -7.538 -17.472 1.00 . A A . 39 CYS H 1 1 6 3592 1 1 39 CYS HA H 8.514 -6.901 -15.893 1.00 . A A . 39 CYS HA 1 1 6 3593 1 1 39 CYS HB2 H 6.951 -9.418 -15.300 1.00 . A A . 39 CYS HB2 1 1 6 3594 1 1 39 CYS HB3 H 8.440 -8.890 -14.542 1.00 . A A . 39 CYS HB3 1 1 6 3595 1 1 39 CYS N N 6.653 -7.036 -16.747 1.00 . A A . 39 CYS N 1 1 6 3596 1 1 39 CYS O O 7.770 -8.973 -18.242 1.00 . A A . 39 CYS O 1 1 6 3597 1 1 39 CYS SG S 6.543 -7.669 -13.690 1.00 . A A . 39 CYS SG 1 1 6 3598 1 1 40 ASN C C 10.506 -10.966 -17.789 1.00 . A A . 40 ASN C 1 1 6 3599 1 1 40 ASN CA C 10.501 -9.495 -18.206 1.00 . A A . 40 ASN CA 1 1 6 3600 1 1 40 ASN CB C 11.953 -9.026 -18.309 1.00 . A A . 40 ASN CB 1 1 6 3601 1 1 40 ASN CG C 12.545 -9.374 -19.678 1.00 . A A . 40 ASN CG 1 1 6 3602 1 1 40 ASN H H 10.327 -8.353 -16.472 1.00 . A A . 40 ASN H 1 1 6 3603 1 1 40 ASN HA H 9.974 -9.329 -19.146 1.00 . A A . 40 ASN HA 1 1 6 3604 1 1 40 ASN HB2 H 12.005 -7.950 -18.150 1.00 . A A . 40 ASN HB2 1 1 6 3605 1 1 40 ASN HB3 H 12.547 -9.494 -17.524 1.00 . A A . 40 ASN HB3 1 1 6 3606 1 1 40 ASN HD21 H 14.040 -8.058 -19.312 1.00 . A A . 40 ASN HD21 1 1 6 3607 1 1 40 ASN HD22 H 14.125 -8.871 -20.839 1.00 . A A . 40 ASN HD22 1 1 6 3608 1 1 40 ASN N N 9.771 -8.718 -17.218 1.00 . A A . 40 ASN N 1 1 6 3609 1 1 40 ASN ND2 N 13.662 -8.712 -19.966 1.00 . A A . 40 ASN ND2 1 1 6 3610 1 1 40 ASN O O 11.534 -11.491 -17.362 1.00 . A A . 40 ASN O 1 1 6 3611 1 1 40 ASN OD1 O 12.021 -10.187 -20.420 1.00 . A A . 40 ASN OD1 1 1 6 3612 1 1 41 GLY C C 7.903 -13.234 -16.804 1.00 . A A . 41 GLY C 1 1 6 3613 1 1 41 GLY CA C 9.205 -12.994 -17.570 1.00 . A A . 41 GLY CA 1 1 6 3614 1 1 41 GLY H H 8.515 -11.158 -18.276 1.00 . A A . 41 GLY H 1 1 6 3615 1 1 41 GLY HA2 H 9.219 -13.605 -18.472 1.00 . A A . 41 GLY HA2 1 1 6 3616 1 1 41 GLY HA3 H 10.053 -13.305 -16.960 1.00 . A A . 41 GLY HA3 1 1 6 3617 1 1 41 GLY N N 9.347 -11.591 -17.927 1.00 . A A . 41 GLY N 1 1 6 3618 1 1 41 GLY O O 7.923 -13.467 -15.596 1.00 . A A . 41 GLY O 1 1 6 3619 1 1 42 LYS C C 4.655 -14.271 -17.863 1.00 . A A . 42 LYS C 1 1 6 3620 1 1 42 LYS CA C 5.492 -13.383 -16.942 1.00 . A A . 42 LYS CA 1 1 6 3621 1 1 42 LYS CB C 4.833 -12.041 -16.614 1.00 . A A . 42 LYS CB 1 1 6 3622 1 1 42 LYS CD C 5.493 -10.434 -18.443 1.00 . A A . 42 LYS CD 1 1 6 3623 1 1 42 LYS CE C 5.377 -10.291 -19.961 1.00 . A A . 42 LYS CE 1 1 6 3624 1 1 42 LYS CG C 4.380 -11.327 -17.889 1.00 . A A . 42 LYS CG 1 1 6 3625 1 1 42 LYS H H 6.794 -12.984 -18.519 1.00 . A A . 42 LYS H 1 1 6 3626 1 1 42 LYS HA H 5.643 -13.907 -15.999 1.00 . A A . 42 LYS HA 1 1 6 3627 1 1 42 LYS HB2 H 3.976 -12.204 -15.960 1.00 . A A . 42 LYS HB2 1 1 6 3628 1 1 42 LYS HB3 H 5.534 -11.410 -16.069 1.00 . A A . 42 LYS HB3 1 1 6 3629 1 1 42 LYS HD2 H 5.442 -9.451 -17.976 1.00 . A A . 42 LYS HD2 1 1 6 3630 1 1 42 LYS HD3 H 6.464 -10.858 -18.187 1.00 . A A . 42 LYS HD3 1 1 6 3631 1 1 42 LYS HE2 H 4.394 -9.896 -20.220 1.00 . A A . 42 LYS HE2 1 1 6 3632 1 1 42 LYS HE3 H 6.113 -9.574 -20.322 1.00 . A A . 42 LYS HE3 1 1 6 3633 1 1 42 LYS HG2 H 4.091 -12.062 -18.640 1.00 . A A . 42 LYS HG2 1 1 6 3634 1 1 42 LYS HG3 H 3.497 -10.723 -17.678 1.00 . A A . 42 LYS HG3 1 1 6 3635 1 1 42 LYS HZ1 H 5.532 -11.525 -21.633 1.00 . A A . 42 LYS HZ1 1 1 6 3636 1 1 42 LYS HZ2 H 6.488 -11.997 -20.402 1.00 . A A . 42 LYS HZ2 1 1 6 3637 1 1 42 LYS N N 6.801 -13.173 -17.538 1.00 . A A . 42 LYS N 1 1 6 3638 1 1 42 LYS NZ N 5.582 -11.599 -20.622 1.00 . A A . 42 LYS NZ 1 1 6 3639 1 1 42 LYS O O 4.935 -14.375 -19.056 1.00 . A A . 42 LYS O 1 1 6 3640 1 1 43 LYS C C 3.575 -16.925 -18.607 1.00 . A A . 43 LYS C 1 1 6 3641 1 1 43 LYS CA C 2.761 -15.766 -18.027 1.00 . A A . 43 LYS CA 1 1 6 3642 1 1 43 LYS CB C 1.985 -14.972 -19.079 1.00 . A A . 43 LYS CB 1 1 6 3643 1 1 43 LYS CD C 0.756 -12.875 -18.409 1.00 . A A . 43 LYS CD 1 1 6 3644 1 1 43 LYS CE C 0.223 -12.378 -17.063 1.00 . A A . 43 LYS CE 1 1 6 3645 1 1 43 LYS CG C 0.692 -14.401 -18.494 1.00 . A A . 43 LYS CG 1 1 6 3646 1 1 43 LYS H H 3.419 -14.800 -16.303 1.00 . A A . 43 LYS H 1 1 6 3647 1 1 43 LYS HA H 2.030 -16.174 -17.328 1.00 . A A . 43 LYS HA 1 1 6 3648 1 1 43 LYS HB2 H 2.606 -14.160 -19.459 1.00 . A A . 43 LYS HB2 1 1 6 3649 1 1 43 LYS HB3 H 1.751 -15.616 -19.927 1.00 . A A . 43 LYS HB3 1 1 6 3650 1 1 43 LYS HD2 H 1.785 -12.542 -18.542 1.00 . A A . 43 LYS HD2 1 1 6 3651 1 1 43 LYS HD3 H 0.171 -12.436 -19.218 1.00 . A A . 43 LYS HD3 1 1 6 3652 1 1 43 LYS HE2 H -0.112 -13.224 -16.463 1.00 . A A . 43 LYS HE2 1 1 6 3653 1 1 43 LYS HE3 H 1.025 -11.891 -16.505 1.00 . A A . 43 LYS HE3 1 1 6 3654 1 1 43 LYS HG2 H -0.154 -14.699 -19.112 1.00 . A A . 43 LYS HG2 1 1 6 3655 1 1 43 LYS HG3 H 0.524 -14.818 -17.500 1.00 . A A . 43 LYS HG3 1 1 6 3656 1 1 43 LYS HZ1 H -0.568 -10.480 -17.396 1.00 . A A . 43 LYS HZ1 1 1 6 3657 1 1 43 LYS HZ2 H -1.449 -11.666 -18.081 1.00 . A A . 43 LYS HZ2 1 1 6 3658 1 1 43 LYS N N 3.641 -14.889 -17.274 1.00 . A A . 43 LYS N 1 1 6 3659 1 1 43 LYS NZ N -0.895 -11.430 -17.265 1.00 . A A . 43 LYS NZ 1 1 6 3660 1 1 43 LYS O O 3.330 -17.357 -19.732 1.00 . A A . 43 LYS O 1 1 7 3661 1 1 1 GLY C C 4.764 1.212 0.655 1.00 . A A . 1 GLY C 1 1 7 3662 1 1 1 GLY CA C 3.374 1.214 1.295 1.00 . A A . 1 GLY CA 1 1 7 3663 1 1 1 GLY H1 H 3.641 -0.764 1.888 1.00 . A A . 1 GLY H1 1 1 7 3664 1 1 1 GLY HA2 H 2.664 1.707 0.631 1.00 . A A . 1 GLY HA2 1 1 7 3665 1 1 1 GLY HA3 H 3.398 1.791 2.220 1.00 . A A . 1 GLY HA3 1 1 7 3666 1 1 1 GLY N N 2.927 -0.139 1.574 1.00 . A A . 1 GLY N 1 1 7 3667 1 1 1 GLY O O 5.760 1.482 1.324 1.00 . A A . 1 GLY O 1 1 7 3668 1 1 2 PHE C C 6.440 2.261 -1.846 1.00 . A A . 2 PHE C 1 1 7 3669 1 1 2 PHE CA C 6.037 0.863 -1.372 1.00 . A A . 2 PHE CA 1 1 7 3670 1 1 2 PHE CB C 5.806 -0.029 -2.593 1.00 . A A . 2 PHE CB 1 1 7 3671 1 1 2 PHE CD1 C 6.737 -2.318 -2.186 1.00 . A A . 2 PHE CD1 1 1 7 3672 1 1 2 PHE CD2 C 4.405 -2.027 -2.030 1.00 . A A . 2 PHE CD2 1 1 7 3673 1 1 2 PHE CE1 C 6.587 -3.695 -1.875 1.00 . A A . 2 PHE CE1 1 1 7 3674 1 1 2 PHE CE2 C 4.254 -3.405 -1.719 1.00 . A A . 2 PHE CE2 1 1 7 3675 1 1 2 PHE CG C 5.643 -1.513 -2.258 1.00 . A A . 2 PHE CG 1 1 7 3676 1 1 2 PHE CZ C 5.348 -4.209 -1.648 1.00 . A A . 2 PHE CZ 1 1 7 3677 1 1 2 PHE H H 3.971 0.686 -1.171 1.00 . A A . 2 PHE H 1 1 7 3678 1 1 2 PHE HA H 6.799 0.477 -0.696 1.00 . A A . 2 PHE HA 1 1 7 3679 1 1 2 PHE HB2 H 4.914 0.314 -3.118 1.00 . A A . 2 PHE HB2 1 1 7 3680 1 1 2 PHE HB3 H 6.644 0.088 -3.280 1.00 . A A . 2 PHE HB3 1 1 7 3681 1 1 2 PHE HD1 H 7.730 -1.906 -2.368 1.00 . A A . 2 PHE HD1 1 1 7 3682 1 1 2 PHE HD2 H 3.528 -1.382 -2.087 1.00 . A A . 2 PHE HD2 1 1 7 3683 1 1 2 PHE HE1 H 7.464 -4.340 -1.817 1.00 . A A . 2 PHE HE1 1 1 7 3684 1 1 2 PHE HE2 H 3.261 -3.817 -1.536 1.00 . A A . 2 PHE HE2 1 1 7 3685 1 1 2 PHE HZ H 5.232 -5.266 -1.409 1.00 . A A . 2 PHE HZ 1 1 7 3686 1 1 2 PHE N N 4.786 0.905 -0.633 1.00 . A A . 2 PHE N 1 1 7 3687 1 1 2 PHE O O 7.351 2.406 -2.659 1.00 . A A . 2 PHE O 1 1 7 3688 1 1 3 GLY C C 4.744 5.484 -1.603 1.00 . A A . 3 GLY C 1 1 7 3689 1 1 3 GLY CA C 6.015 4.636 -1.676 1.00 . A A . 3 GLY CA 1 1 7 3690 1 1 3 GLY H H 5.001 3.128 -0.656 1.00 . A A . 3 GLY H 1 1 7 3691 1 1 3 GLY HA2 H 6.769 5.047 -1.005 1.00 . A A . 3 GLY HA2 1 1 7 3692 1 1 3 GLY HA3 H 6.427 4.679 -2.684 1.00 . A A . 3 GLY HA3 1 1 7 3693 1 1 3 GLY N N 5.741 3.255 -1.317 1.00 . A A . 3 GLY N 1 1 7 3694 1 1 3 GLY O O 4.764 6.595 -1.075 1.00 . A A . 3 GLY O 1 1 7 3695 1 1 4 CYS C C 1.768 5.483 -0.750 1.00 . A A . 4 CYS C 1 1 7 3696 1 1 4 CYS CA C 2.390 5.619 -2.142 1.00 . A A . 4 CYS CA 1 1 7 3697 1 1 4 CYS CB C 1.462 5.087 -3.236 1.00 . A A . 4 CYS CB 1 1 7 3698 1 1 4 CYS H H 3.660 4.023 -2.566 1.00 . A A . 4 CYS H 1 1 7 3699 1 1 4 CYS HA H 2.599 6.663 -2.372 1.00 . A A . 4 CYS HA 1 1 7 3700 1 1 4 CYS HB2 H 1.852 4.135 -3.592 1.00 . A A . 4 CYS HB2 1 1 7 3701 1 1 4 CYS HB3 H 0.483 4.887 -2.796 1.00 . A A . 4 CYS HB3 1 1 7 3702 1 1 4 CYS N N 3.668 4.927 -2.139 1.00 . A A . 4 CYS N 1 1 7 3703 1 1 4 CYS O O 2.148 4.604 0.020 1.00 . A A . 4 CYS O 1 1 7 3704 1 1 4 CYS SG S 1.244 6.206 -4.668 1.00 . A A . 4 CYS SG 1 1 7 3705 1 1 5 PRO C C 1.462 8.506 -1.529 1.00 . A A . 5 PRO C 1 1 7 3706 1 1 5 PRO CA C 0.408 7.401 -1.433 1.00 . A A . 5 PRO CA 1 1 7 3707 1 1 5 PRO CB C -0.942 7.909 -0.952 1.00 . A A . 5 PRO CB 1 1 7 3708 1 1 5 PRO CD C 0.049 6.483 0.786 1.00 . A A . 5 PRO CD 1 1 7 3709 1 1 5 PRO CG C -1.042 7.504 0.510 1.00 . A A . 5 PRO CG 1 1 7 3710 1 1 5 PRO HA H 0.348 7.000 -2.347 1.00 . A A . 5 PRO HA 1 1 7 3711 1 1 5 PRO HB2 H -1.015 8.991 -1.064 1.00 . A A . 5 PRO HB2 1 1 7 3712 1 1 5 PRO HB3 H -1.753 7.473 -1.534 1.00 . A A . 5 PRO HB3 1 1 7 3713 1 1 5 PRO HD2 H 0.690 6.800 1.609 1.00 . A A . 5 PRO HD2 1 1 7 3714 1 1 5 PRO HD3 H -0.374 5.518 1.065 1.00 . A A . 5 PRO HD3 1 1 7 3715 1 1 5 PRO HG2 H -0.923 8.374 1.156 1.00 . A A . 5 PRO HG2 1 1 7 3716 1 1 5 PRO HG3 H -2.024 7.080 0.722 1.00 . A A . 5 PRO HG3 1 1 7 3717 1 1 5 PRO N N 0.798 6.392 -0.463 1.00 . A A . 5 PRO N 1 1 7 3718 1 1 5 PRO O O 2.224 8.725 -0.588 1.00 . A A . 5 PRO O 1 1 7 3719 1 1 6 GLY C C 3.792 9.697 -3.299 1.00 . A A . 6 GLY C 1 1 7 3720 1 1 6 GLY CA C 2.420 10.249 -2.905 1.00 . A A . 6 GLY CA 1 1 7 3721 1 1 6 GLY H H 0.849 8.988 -3.434 1.00 . A A . 6 GLY H 1 1 7 3722 1 1 6 GLY HA2 H 2.048 10.904 -3.692 1.00 . A A . 6 GLY HA2 1 1 7 3723 1 1 6 GLY HA3 H 2.514 10.856 -2.003 1.00 . A A . 6 GLY HA3 1 1 7 3724 1 1 6 GLY N N 1.472 9.173 -2.673 1.00 . A A . 6 GLY N 1 1 7 3725 1 1 6 GLY O O 4.793 9.989 -2.648 1.00 . A A . 6 GLY O 1 1 7 3726 1 1 7 ASN C C 4.687 7.133 -5.766 1.00 . A A . 7 ASN C 1 1 7 3727 1 1 7 ASN CA C 5.024 8.312 -4.852 1.00 . A A . 7 ASN CA 1 1 7 3728 1 1 7 ASN CB C 5.877 7.785 -3.696 1.00 . A A . 7 ASN CB 1 1 7 3729 1 1 7 ASN CG C 7.176 8.583 -3.565 1.00 . A A . 7 ASN CG 1 1 7 3730 1 1 7 ASN H H 2.973 8.674 -4.887 1.00 . A A . 7 ASN H 1 1 7 3731 1 1 7 ASN HA H 5.541 9.114 -5.379 1.00 . A A . 7 ASN HA 1 1 7 3732 1 1 7 ASN HB2 H 5.313 7.846 -2.766 1.00 . A A . 7 ASN HB2 1 1 7 3733 1 1 7 ASN HB3 H 6.108 6.732 -3.861 1.00 . A A . 7 ASN HB3 1 1 7 3734 1 1 7 ASN HD21 H 7.574 8.165 -5.506 1.00 . A A . 7 ASN HD21 1 1 7 3735 1 1 7 ASN HD22 H 8.765 9.127 -4.696 1.00 . A A . 7 ASN HD22 1 1 7 3736 1 1 7 ASN N N 3.792 8.908 -4.363 1.00 . A A . 7 ASN N 1 1 7 3737 1 1 7 ASN ND2 N 7.898 8.630 -4.681 1.00 . A A . 7 ASN ND2 1 1 7 3738 1 1 7 ASN O O 4.711 5.980 -5.334 1.00 . A A . 7 ASN O 1 1 7 3739 1 1 7 ASN OD1 O 7.500 9.122 -2.520 1.00 . A A . 7 ASN OD1 1 1 7 3740 1 1 8 GLN C C 5.292 5.990 -8.745 1.00 . A A . 8 GLN C 1 1 7 3741 1 1 8 GLN CA C 4.040 6.442 -7.992 1.00 . A A . 8 GLN CA 1 1 7 3742 1 1 8 GLN CB C 2.971 6.951 -8.962 1.00 . A A . 8 GLN CB 1 1 7 3743 1 1 8 GLN CD C 2.587 6.396 -11.391 1.00 . A A . 8 GLN CD 1 1 7 3744 1 1 8 GLN CG C 2.571 5.860 -9.957 1.00 . A A . 8 GLN CG 1 1 7 3745 1 1 8 GLN H H 4.364 8.399 -7.356 1.00 . A A . 8 GLN H 1 1 7 3746 1 1 8 GLN HA H 3.634 5.611 -7.417 1.00 . A A . 8 GLN HA 1 1 7 3747 1 1 8 GLN HB2 H 2.094 7.277 -8.403 1.00 . A A . 8 GLN HB2 1 1 7 3748 1 1 8 GLN HB3 H 3.347 7.820 -9.501 1.00 . A A . 8 GLN HB3 1 1 7 3749 1 1 8 GLN HE21 H 0.563 6.372 -11.372 1.00 . A A . 8 GLN HE21 1 1 7 3750 1 1 8 GLN HE22 H 1.284 6.927 -12.846 1.00 . A A . 8 GLN HE22 1 1 7 3751 1 1 8 GLN HG2 H 3.255 5.017 -9.872 1.00 . A A . 8 GLN HG2 1 1 7 3752 1 1 8 GLN HG3 H 1.575 5.489 -9.716 1.00 . A A . 8 GLN HG3 1 1 7 3753 1 1 8 GLN N N 4.381 7.460 -7.013 1.00 . A A . 8 GLN N 1 1 7 3754 1 1 8 GLN NE2 N 1.378 6.580 -11.913 1.00 . A A . 8 GLN NE2 1 1 7 3755 1 1 8 GLN O O 5.371 4.847 -9.195 1.00 . A A . 8 GLN O 1 1 7 3756 1 1 8 GLN OE1 O 3.629 6.625 -11.984 1.00 . A A . 8 GLN OE1 1 1 7 3757 1 1 9 LEU C C 8.328 5.669 -8.697 1.00 . A A . 9 LEU C 1 1 7 3758 1 1 9 LEU CA C 7.485 6.618 -9.550 1.00 . A A . 9 LEU CA 1 1 7 3759 1 1 9 LEU CB C 8.206 7.914 -9.923 1.00 . A A . 9 LEU CB 1 1 7 3760 1 1 9 LEU CD1 C 10.373 9.032 -9.281 1.00 . A A . 9 LEU CD1 1 1 7 3761 1 1 9 LEU CD2 C 8.194 9.759 -8.203 1.00 . A A . 9 LEU CD2 1 1 7 3762 1 1 9 LEU CG C 8.989 8.594 -8.799 1.00 . A A . 9 LEU CG 1 1 7 3763 1 1 9 LEU H H 6.168 7.835 -8.491 1.00 . A A . 9 LEU H 1 1 7 3764 1 1 9 LEU HA H 7.231 6.112 -10.482 1.00 . A A . 9 LEU HA 1 1 7 3765 1 1 9 LEU HB2 H 8.894 7.702 -10.741 1.00 . A A . 9 LEU HB2 1 1 7 3766 1 1 9 LEU HB3 H 7.468 8.621 -10.304 1.00 . A A . 9 LEU HB3 1 1 7 3767 1 1 9 LEU HD11 H 10.858 8.202 -9.795 1.00 . A A . 9 LEU HD11 1 1 7 3768 1 1 9 LEU HD12 H 10.270 9.873 -9.966 1.00 . A A . 9 LEU HD12 1 1 7 3769 1 1 9 LEU HD13 H 10.978 9.333 -8.425 1.00 . A A . 9 LEU HD13 1 1 7 3770 1 1 9 LEU HD21 H 8.260 10.620 -8.867 1.00 . A A . 9 LEU HD21 1 1 7 3771 1 1 9 LEU HD22 H 7.151 9.465 -8.089 1.00 . A A . 9 LEU HD22 1 1 7 3772 1 1 9 LEU HD23 H 8.607 10.019 -7.229 1.00 . A A . 9 LEU HD23 1 1 7 3773 1 1 9 LEU HG H 9.141 7.867 -8.001 1.00 . A A . 9 LEU HG 1 1 7 3774 1 1 9 LEU N N 6.240 6.909 -8.860 1.00 . A A . 9 LEU N 1 1 7 3775 1 1 9 LEU O O 9.168 4.938 -9.219 1.00 . A A . 9 LEU O 1 1 7 3776 1 1 10 LYS C C 8.362 3.410 -6.657 1.00 . A A . 10 LYS C 1 1 7 3777 1 1 10 LYS CA C 8.799 4.863 -6.465 1.00 . A A . 10 LYS CA 1 1 7 3778 1 1 10 LYS CB C 8.627 5.373 -5.033 1.00 . A A . 10 LYS CB 1 1 7 3779 1 1 10 LYS CD C 9.767 5.254 -2.786 1.00 . A A . 10 LYS CD 1 1 7 3780 1 1 10 LYS CE C 10.761 6.123 -2.014 1.00 . A A . 10 LYS CE 1 1 7 3781 1 1 10 LYS CG C 9.968 5.401 -4.297 1.00 . A A . 10 LYS CG 1 1 7 3782 1 1 10 LYS H H 7.388 6.307 -6.980 1.00 . A A . 10 LYS H 1 1 7 3783 1 1 10 LYS HA H 9.858 4.941 -6.710 1.00 . A A . 10 LYS HA 1 1 7 3784 1 1 10 LYS HB2 H 8.196 6.374 -5.048 1.00 . A A . 10 LYS HB2 1 1 7 3785 1 1 10 LYS HB3 H 7.926 4.733 -4.496 1.00 . A A . 10 LYS HB3 1 1 7 3786 1 1 10 LYS HD2 H 8.749 5.538 -2.523 1.00 . A A . 10 LYS HD2 1 1 7 3787 1 1 10 LYS HD3 H 9.892 4.210 -2.500 1.00 . A A . 10 LYS HD3 1 1 7 3788 1 1 10 LYS HE2 H 11.761 5.693 -2.084 1.00 . A A . 10 LYS HE2 1 1 7 3789 1 1 10 LYS HE3 H 10.809 7.115 -2.461 1.00 . A A . 10 LYS HE3 1 1 7 3790 1 1 10 LYS HG2 H 10.604 4.595 -4.663 1.00 . A A . 10 LYS HG2 1 1 7 3791 1 1 10 LYS HG3 H 10.484 6.337 -4.509 1.00 . A A . 10 LYS HG3 1 1 7 3792 1 1 10 LYS HZ1 H 10.143 5.328 -0.189 1.00 . A A . 10 LYS HZ1 1 1 7 3793 1 1 10 LYS HZ2 H 11.090 6.642 -0.023 1.00 . A A . 10 LYS HZ2 1 1 7 3794 1 1 10 LYS N N 8.074 5.711 -7.397 1.00 . A A . 10 LYS N 1 1 7 3795 1 1 10 LYS NZ N 10.360 6.232 -0.593 1.00 . A A . 10 LYS NZ 1 1 7 3796 1 1 10 LYS O O 9.128 2.487 -6.385 1.00 . A A . 10 LYS O 1 1 7 3797 1 1 11 CYS C C 7.257 1.339 -8.598 1.00 . A A . 11 CYS C 1 1 7 3798 1 1 11 CYS CA C 6.584 1.927 -7.357 1.00 . A A . 11 CYS CA 1 1 7 3799 1 1 11 CYS CB C 5.061 1.961 -7.497 1.00 . A A . 11 CYS CB 1 1 7 3800 1 1 11 CYS H H 6.515 4.009 -7.343 1.00 . A A . 11 CYS H 1 1 7 3801 1 1 11 CYS HA H 6.815 1.333 -6.473 1.00 . A A . 11 CYS HA 1 1 7 3802 1 1 11 CYS HB2 H 4.805 2.523 -8.395 1.00 . A A . 11 CYS HB2 1 1 7 3803 1 1 11 CYS HB3 H 4.700 0.943 -7.643 1.00 . A A . 11 CYS HB3 1 1 7 3804 1 1 11 CYS N N 7.132 3.252 -7.125 1.00 . A A . 11 CYS N 1 1 7 3805 1 1 11 CYS O O 7.456 0.128 -8.686 1.00 . A A . 11 CYS O 1 1 7 3806 1 1 11 CYS SG S 4.175 2.697 -6.073 1.00 . A A . 11 CYS SG 1 1 7 3807 1 1 12 ASN C C 9.711 1.505 -10.479 1.00 . A A . 12 ASN C 1 1 7 3808 1 1 12 ASN CA C 8.238 1.807 -10.759 1.00 . A A . 12 ASN CA 1 1 7 3809 1 1 12 ASN CB C 8.174 2.912 -11.815 1.00 . A A . 12 ASN CB 1 1 7 3810 1 1 12 ASN CG C 6.727 3.335 -12.079 1.00 . A A . 12 ASN CG 1 1 7 3811 1 1 12 ASN H H 7.426 3.207 -9.447 1.00 . A A . 12 ASN H 1 1 7 3812 1 1 12 ASN HA H 7.687 0.925 -11.088 1.00 . A A . 12 ASN HA 1 1 7 3813 1 1 12 ASN HB2 H 8.753 3.772 -11.482 1.00 . A A . 12 ASN HB2 1 1 7 3814 1 1 12 ASN HB3 H 8.628 2.560 -12.742 1.00 . A A . 12 ASN HB3 1 1 7 3815 1 1 12 ASN HD21 H 7.095 3.190 -14.064 1.00 . A A . 12 ASN HD21 1 1 7 3816 1 1 12 ASN HD22 H 5.487 3.674 -13.643 1.00 . A A . 12 ASN HD22 1 1 7 3817 1 1 12 ASN N N 7.590 2.223 -9.527 1.00 . A A . 12 ASN N 1 1 7 3818 1 1 12 ASN ND2 N 6.410 3.406 -13.369 1.00 . A A . 12 ASN ND2 1 1 7 3819 1 1 12 ASN O O 10.239 0.492 -10.935 1.00 . A A . 12 ASN O 1 1 7 3820 1 1 12 ASN OD1 O 5.950 3.581 -11.170 1.00 . A A . 12 ASN OD1 1 1 7 3821 1 1 13 ASN C C 11.902 1.018 -8.489 1.00 . A A . 13 ASN C 1 1 7 3822 1 1 13 ASN CA C 11.737 2.247 -9.385 1.00 . A A . 13 ASN CA 1 1 7 3823 1 1 13 ASN CB C 12.254 3.464 -8.617 1.00 . A A . 13 ASN CB 1 1 7 3824 1 1 13 ASN CG C 11.760 4.765 -9.253 1.00 . A A . 13 ASN CG 1 1 7 3825 1 1 13 ASN H H 9.898 3.225 -9.364 1.00 . A A . 13 ASN H 1 1 7 3826 1 1 13 ASN HA H 12.257 2.141 -10.337 1.00 . A A . 13 ASN HA 1 1 7 3827 1 1 13 ASN HB2 H 11.923 3.413 -7.580 1.00 . A A . 13 ASN HB2 1 1 7 3828 1 1 13 ASN HB3 H 13.345 3.454 -8.604 1.00 . A A . 13 ASN HB3 1 1 7 3829 1 1 13 ASN HD21 H 11.657 5.577 -7.401 1.00 . A A . 13 ASN HD21 1 1 7 3830 1 1 13 ASN HD22 H 11.185 6.625 -8.697 1.00 . A A . 13 ASN HD22 1 1 7 3831 1 1 13 ASN N N 10.335 2.403 -9.731 1.00 . A A . 13 ASN N 1 1 7 3832 1 1 13 ASN ND2 N 11.514 5.736 -8.378 1.00 . A A . 13 ASN ND2 1 1 7 3833 1 1 13 ASN O O 12.969 0.408 -8.457 1.00 . A A . 13 ASN O 1 1 7 3834 1 1 13 ASN OD1 O 11.610 4.879 -10.459 1.00 . A A . 13 ASN OD1 1 1 7 3835 1 1 14 HIS C C 10.710 -1.742 -7.703 1.00 . A A . 14 HIS C 1 1 7 3836 1 1 14 HIS CA C 10.843 -0.455 -6.889 1.00 . A A . 14 HIS CA 1 1 7 3837 1 1 14 HIS CB C 9.761 -0.318 -5.815 1.00 . A A . 14 HIS CB 1 1 7 3838 1 1 14 HIS CD2 C 8.101 -2.336 -5.803 1.00 . A A . 14 HIS CD2 1 1 7 3839 1 1 14 HIS CE1 C 8.998 -3.467 -4.159 1.00 . A A . 14 HIS CE1 1 1 7 3840 1 1 14 HIS CG C 9.182 -1.634 -5.356 1.00 . A A . 14 HIS CG 1 1 7 3841 1 1 14 HIS H H 9.965 1.193 -7.814 1.00 . A A . 14 HIS H 1 1 7 3842 1 1 14 HIS HA H 11.811 -0.449 -6.387 1.00 . A A . 14 HIS HA 1 1 7 3843 1 1 14 HIS HB2 H 10.181 0.202 -4.954 1.00 . A A . 14 HIS HB2 1 1 7 3844 1 1 14 HIS HB3 H 8.956 0.307 -6.203 1.00 . A A . 14 HIS HB3 1 1 7 3845 1 1 14 HIS HD1 H 10.531 -2.122 -3.783 1.00 . A A . 14 HIS HD1 1 1 7 3846 1 1 14 HIS HD2 H 7.439 -2.038 -6.616 1.00 . A A . 14 HIS HD2 1 1 7 3847 1 1 14 HIS HE1 H 9.172 -4.250 -3.421 1.00 . A A . 14 HIS HE1 1 1 7 3848 1 1 14 HIS N N 10.830 0.692 -7.782 1.00 . A A . 14 HIS N 1 1 7 3849 1 1 14 HIS ND1 N 9.726 -2.372 -4.320 1.00 . A A . 14 HIS ND1 1 1 7 3850 1 1 14 HIS NE2 N 7.992 -3.444 -5.080 1.00 . A A . 14 HIS NE2 1 1 7 3851 1 1 14 HIS O O 11.476 -2.685 -7.508 1.00 . A A . 14 HIS O 1 1 7 3852 1 1 15 CYS C C 10.706 -3.090 -10.354 1.00 . A A . 15 CYS C 1 1 7 3853 1 1 15 CYS CA C 9.492 -2.898 -9.443 1.00 . A A . 15 CYS CA 1 1 7 3854 1 1 15 CYS CB C 8.196 -2.753 -10.243 1.00 . A A . 15 CYS CB 1 1 7 3855 1 1 15 CYS H H 9.116 -0.970 -8.751 1.00 . A A . 15 CYS H 1 1 7 3856 1 1 15 CYS HA H 9.368 -3.752 -8.777 1.00 . A A . 15 CYS HA 1 1 7 3857 1 1 15 CYS HB2 H 8.301 -1.912 -10.929 1.00 . A A . 15 CYS HB2 1 1 7 3858 1 1 15 CYS HB3 H 8.060 -3.646 -10.853 1.00 . A A . 15 CYS HB3 1 1 7 3859 1 1 15 CYS N N 9.734 -1.741 -8.599 1.00 . A A . 15 CYS N 1 1 7 3860 1 1 15 CYS O O 10.948 -4.191 -10.847 1.00 . A A . 15 CYS O 1 1 7 3861 1 1 15 CYS SG S 6.693 -2.499 -9.231 1.00 . A A . 15 CYS SG 1 1 7 3862 1 1 16 LYS C C 13.810 -2.546 -10.574 1.00 . A A . 16 LYS C 1 1 7 3863 1 1 16 LYS CA C 12.620 -2.039 -11.393 1.00 . A A . 16 LYS CA 1 1 7 3864 1 1 16 LYS CB C 12.857 -0.674 -12.041 1.00 . A A . 16 LYS CB 1 1 7 3865 1 1 16 LYS CD C 14.780 0.446 -10.851 1.00 . A A . 16 LYS CD 1 1 7 3866 1 1 16 LYS CE C 16.150 1.092 -11.059 1.00 . A A . 16 LYS CE 1 1 7 3867 1 1 16 LYS CG C 14.350 -0.342 -12.091 1.00 . A A . 16 LYS CG 1 1 7 3868 1 1 16 LYS H H 11.233 -1.111 -10.146 1.00 . A A . 16 LYS H 1 1 7 3869 1 1 16 LYS HA H 12.428 -2.749 -12.197 1.00 . A A . 16 LYS HA 1 1 7 3870 1 1 16 LYS HB2 H 12.447 -0.670 -13.050 1.00 . A A . 16 LYS HB2 1 1 7 3871 1 1 16 LYS HB3 H 12.329 0.097 -11.479 1.00 . A A . 16 LYS HB3 1 1 7 3872 1 1 16 LYS HD2 H 14.039 1.216 -10.632 1.00 . A A . 16 LYS HD2 1 1 7 3873 1 1 16 LYS HD3 H 14.814 -0.219 -9.988 1.00 . A A . 16 LYS HD3 1 1 7 3874 1 1 16 LYS HE2 H 16.644 1.229 -10.097 1.00 . A A . 16 LYS HE2 1 1 7 3875 1 1 16 LYS HE3 H 16.784 0.432 -11.652 1.00 . A A . 16 LYS HE3 1 1 7 3876 1 1 16 LYS HG2 H 14.929 -1.264 -12.158 1.00 . A A . 16 LYS HG2 1 1 7 3877 1 1 16 LYS HG3 H 14.568 0.237 -12.988 1.00 . A A . 16 LYS HG3 1 1 7 3878 1 1 16 LYS HZ1 H 16.323 3.166 -11.159 1.00 . A A . 16 LYS HZ1 1 1 7 3879 1 1 16 LYS HZ2 H 16.550 2.439 -12.598 1.00 . A A . 16 LYS HZ2 1 1 7 3880 1 1 16 LYS N N 11.437 -2.004 -10.550 1.00 . A A . 16 LYS N 1 1 7 3881 1 1 16 LYS NZ N 16.009 2.397 -11.742 1.00 . A A . 16 LYS NZ 1 1 7 3882 1 1 16 LYS O O 14.666 -3.260 -11.093 1.00 . A A . 16 LYS O 1 1 7 3883 1 1 17 SER C C 14.802 -4.064 -8.135 1.00 . A A . 17 SER C 1 1 7 3884 1 1 17 SER CA C 14.893 -2.563 -8.412 1.00 . A A . 17 SER CA 1 1 7 3885 1 1 17 SER CB C 14.842 -1.776 -7.101 1.00 . A A . 17 SER CB 1 1 7 3886 1 1 17 SER H H 13.123 -1.575 -8.893 1.00 . A A . 17 SER H 1 1 7 3887 1 1 17 SER HA H 15.817 -2.327 -8.940 1.00 . A A . 17 SER HA 1 1 7 3888 1 1 17 SER HB2 H 14.843 -0.709 -7.317 1.00 . A A . 17 SER HB2 1 1 7 3889 1 1 17 SER HB3 H 13.907 -1.995 -6.583 1.00 . A A . 17 SER HB3 1 1 7 3890 1 1 17 SER HG H 15.607 -2.493 -5.396 1.00 . A A . 17 SER HG 1 1 7 3891 1 1 17 SER N N 13.823 -2.157 -9.308 1.00 . A A . 17 SER N 1 1 7 3892 1 1 17 SER O O 15.819 -4.725 -7.933 1.00 . A A . 17 SER O 1 1 7 3893 1 1 17 SER OG O 15.940 -2.088 -6.247 1.00 . A A . 17 SER OG 1 1 7 3894 1 1 18 ILE C C 13.598 -6.762 -9.167 1.00 . A A . 18 ILE C 1 1 7 3895 1 1 18 ILE CA C 13.336 -5.972 -7.883 1.00 . A A . 18 ILE CA 1 1 7 3896 1 1 18 ILE CB C 11.935 -6.184 -7.304 1.00 . A A . 18 ILE CB 1 1 7 3897 1 1 18 ILE CD1 C 9.468 -5.852 -7.710 1.00 . A A . 18 ILE CD1 1 1 7 3898 1 1 18 ILE CG1 C 10.859 -5.882 -8.348 1.00 . A A . 18 ILE CG1 1 1 7 3899 1 1 18 ILE CG2 C 11.740 -5.368 -6.026 1.00 . A A . 18 ILE CG2 1 1 7 3900 1 1 18 ILE H H 12.751 -4.015 -8.297 1.00 . A A . 18 ILE H 1 1 7 3901 1 1 18 ILE HA H 14.049 -6.294 -7.126 1.00 . A A . 18 ILE HA 1 1 7 3902 1 1 18 ILE HB H 11.834 -7.236 -7.034 1.00 . A A . 18 ILE HB 1 1 7 3903 1 1 18 ILE HD11 H 9.383 -4.977 -7.065 1.00 . A A . 18 ILE HD11 1 1 7 3904 1 1 18 ILE HD12 H 8.710 -5.803 -8.491 1.00 . A A . 18 ILE HD12 1 1 7 3905 1 1 18 ILE HD13 H 9.321 -6.754 -7.116 1.00 . A A . 18 ILE HD13 1 1 7 3906 1 1 18 ILE HG12 H 11.065 -4.922 -8.822 1.00 . A A . 18 ILE HG12 1 1 7 3907 1 1 18 ILE HG13 H 10.886 -6.636 -9.134 1.00 . A A . 18 ILE HG13 1 1 7 3908 1 1 18 ILE HG21 H 11.172 -4.466 -6.254 1.00 . A A . 18 ILE HG21 1 1 7 3909 1 1 18 ILE HG22 H 11.196 -5.964 -5.293 1.00 . A A . 18 ILE HG22 1 1 7 3910 1 1 18 ILE HG23 H 12.713 -5.092 -5.619 1.00 . A A . 18 ILE HG23 1 1 7 3911 1 1 18 ILE N N 13.573 -4.560 -8.132 1.00 . A A . 18 ILE N 1 1 7 3912 1 1 18 ILE O O 14.432 -7.666 -9.183 1.00 . A A . 18 ILE O 1 1 7 3913 1 1 19 SER C C 11.664 -7.098 -12.216 1.00 . A A . 19 SER C 1 1 7 3914 1 1 19 SER CA C 13.013 -7.059 -11.494 1.00 . A A . 19 SER CA 1 1 7 3915 1 1 19 SER CB C 13.565 -8.476 -11.323 1.00 . A A . 19 SER CB 1 1 7 3916 1 1 19 SER H H 12.193 -5.658 -10.188 1.00 . A A . 19 SER H 1 1 7 3917 1 1 19 SER HA H 13.728 -6.456 -12.052 1.00 . A A . 19 SER HA 1 1 7 3918 1 1 19 SER HB2 H 13.186 -8.902 -10.394 1.00 . A A . 19 SER HB2 1 1 7 3919 1 1 19 SER HB3 H 13.201 -9.107 -12.134 1.00 . A A . 19 SER HB3 1 1 7 3920 1 1 19 SER HG H 15.335 -8.857 -12.174 1.00 . A A . 19 SER HG 1 1 7 3921 1 1 19 SER N N 12.869 -6.394 -10.210 1.00 . A A . 19 SER N 1 1 7 3922 1 1 19 SER O O 11.069 -8.162 -12.370 1.00 . A A . 19 SER O 1 1 7 3923 1 1 19 SER OG O 14.989 -8.496 -11.308 1.00 . A A . 19 SER OG 1 1 7 3924 1 1 20 CYS C C 10.066 -4.661 -14.349 1.00 . A A . 20 CYS C 1 1 7 3925 1 1 20 CYS CA C 9.956 -5.809 -13.344 1.00 . A A . 20 CYS CA 1 1 7 3926 1 1 20 CYS CB C 8.788 -5.610 -12.376 1.00 . A A . 20 CYS CB 1 1 7 3927 1 1 20 CYS H H 11.713 -5.061 -12.512 1.00 . A A . 20 CYS H 1 1 7 3928 1 1 20 CYS HA H 9.796 -6.758 -13.855 1.00 . A A . 20 CYS HA 1 1 7 3929 1 1 20 CYS HB2 H 9.188 -5.428 -11.379 1.00 . A A . 20 CYS HB2 1 1 7 3930 1 1 20 CYS HB3 H 8.241 -4.714 -12.669 1.00 . A A . 20 CYS HB3 1 1 7 3931 1 1 20 CYS N N 11.223 -5.923 -12.641 1.00 . A A . 20 CYS N 1 1 7 3932 1 1 20 CYS O O 11.164 -4.196 -14.647 1.00 . A A . 20 CYS O 1 1 7 3933 1 1 20 CYS SG S 7.615 -7.012 -12.290 1.00 . A A . 20 CYS SG 1 1 7 3934 1 1 21 ARG C C 8.551 -1.831 -15.108 1.00 . A A . 21 ARG C 1 1 7 3935 1 1 21 ARG CA C 8.865 -3.153 -15.810 1.00 . A A . 21 ARG CA 1 1 7 3936 1 1 21 ARG CB C 7.806 -3.417 -16.882 1.00 . A A . 21 ARG CB 1 1 7 3937 1 1 21 ARG CD C 9.019 -1.622 -18.172 1.00 . A A . 21 ARG CD 1 1 7 3938 1 1 21 ARG CG C 7.654 -2.210 -17.811 1.00 . A A . 21 ARG CG 1 1 7 3939 1 1 21 ARG CZ C 10.839 -2.236 -19.773 1.00 . A A . 21 ARG CZ 1 1 7 3940 1 1 21 ARG H H 8.022 -4.623 -14.596 1.00 . A A . 21 ARG H 1 1 7 3941 1 1 21 ARG HA H 9.858 -3.135 -16.256 1.00 . A A . 21 ARG HA 1 1 7 3942 1 1 21 ARG HB2 H 8.083 -4.296 -17.464 1.00 . A A . 21 ARG HB2 1 1 7 3943 1 1 21 ARG HB3 H 6.850 -3.638 -16.409 1.00 . A A . 21 ARG HB3 1 1 7 3944 1 1 21 ARG HD2 H 8.888 -0.679 -18.703 1.00 . A A . 21 ARG HD2 1 1 7 3945 1 1 21 ARG HD3 H 9.581 -1.401 -17.265 1.00 . A A . 21 ARG HD3 1 1 7 3946 1 1 21 ARG HE H 9.477 -3.529 -19.025 1.00 . A A . 21 ARG HE 1 1 7 3947 1 1 21 ARG HG2 H 7.131 -2.509 -18.720 1.00 . A A . 21 ARG HG2 1 1 7 3948 1 1 21 ARG HG3 H 7.042 -1.449 -17.327 1.00 . A A . 21 ARG HG3 1 1 7 3949 1 1 21 ARG HH11 H 10.824 -0.260 -19.255 1.00 . A A . 21 ARG HH11 1 1 7 3950 1 1 21 ARG HH12 H 12.073 -0.719 -20.364 1.00 . A A . 21 ARG HH12 1 1 7 3951 1 1 21 ARG HH21 H 12.232 -3.002 -21.075 1.00 . A A . 21 ARG HH21 1 1 7 3952 1 1 21 ARG N N 8.912 -4.238 -14.845 1.00 . A A . 21 ARG N 1 1 7 3953 1 1 21 ARG NE N 9.774 -2.575 -19.016 1.00 . A A . 21 ARG NE 1 1 7 3954 1 1 21 ARG NH1 N 11.284 -0.961 -19.800 1.00 . A A . 21 ARG NH1 1 1 7 3955 1 1 21 ARG NH2 N 11.439 -3.170 -20.489 1.00 . A A . 21 ARG NH2 1 1 7 3956 1 1 21 ARG O O 9.357 -0.902 -15.138 1.00 . A A . 21 ARG O 1 1 7 3957 1 1 22 ALA C C 5.533 -0.809 -13.244 1.00 . A A . 22 ALA C 1 1 7 3958 1 1 22 ALA CA C 6.949 -0.595 -13.783 1.00 . A A . 22 ALA CA 1 1 7 3959 1 1 22 ALA CB C 7.041 0.615 -14.716 1.00 . A A . 22 ALA CB 1 1 7 3960 1 1 22 ALA H H 6.730 -2.548 -14.471 1.00 . A A . 22 ALA H 1 1 7 3961 1 1 22 ALA HA H 7.629 -0.443 -12.945 1.00 . A A . 22 ALA HA 1 1 7 3962 1 1 22 ALA HB1 H 7.914 1.211 -14.455 1.00 . A A . 22 ALA HB1 1 1 7 3963 1 1 22 ALA HB2 H 7.130 0.272 -15.747 1.00 . A A . 22 ALA HB2 1 1 7 3964 1 1 22 ALA HB3 H 6.142 1.223 -14.612 1.00 . A A . 22 ALA HB3 1 1 7 3965 1 1 22 ALA N N 7.379 -1.788 -14.492 1.00 . A A . 22 ALA N 1 1 7 3966 1 1 22 ALA O O 4.707 -1.445 -13.896 1.00 . A A . 22 ALA O 1 1 7 3967 1 1 23 GLY C C 3.369 0.987 -11.188 1.00 . A A . 23 GLY C 1 1 7 3968 1 1 23 GLY CA C 3.995 -0.388 -11.425 1.00 . A A . 23 GLY CA 1 1 7 3969 1 1 23 GLY H H 5.975 0.251 -11.536 1.00 . A A . 23 GLY H 1 1 7 3970 1 1 23 GLY HA2 H 3.338 -0.990 -12.052 1.00 . A A . 23 GLY HA2 1 1 7 3971 1 1 23 GLY HA3 H 4.098 -0.914 -10.475 1.00 . A A . 23 GLY HA3 1 1 7 3972 1 1 23 GLY N N 5.298 -0.265 -12.059 1.00 . A A . 23 GLY N 1 1 7 3973 1 1 23 GLY O O 3.982 2.012 -11.480 1.00 . A A . 23 GLY O 1 1 7 3974 1 1 24 TYR C C 0.601 2.069 -9.107 1.00 . A A . 24 TYR C 1 1 7 3975 1 1 24 TYR CA C 1.435 2.196 -10.383 1.00 . A A . 24 TYR CA 1 1 7 3976 1 1 24 TYR CB C 0.496 2.417 -11.571 1.00 . A A . 24 TYR CB 1 1 7 3977 1 1 24 TYR CD1 C -1.576 1.208 -10.796 1.00 . A A . 24 TYR CD1 1 1 7 3978 1 1 24 TYR CD2 C -0.522 0.473 -12.813 1.00 . A A . 24 TYR CD2 1 1 7 3979 1 1 24 TYR CE1 C -2.579 0.185 -10.949 1.00 . A A . 24 TYR CE1 1 1 7 3980 1 1 24 TYR CE2 C -1.525 -0.549 -12.965 1.00 . A A . 24 TYR CE2 1 1 7 3981 1 1 24 TYR CG C -0.568 1.331 -11.732 1.00 . A A . 24 TYR CG 1 1 7 3982 1 1 24 TYR CZ C -2.503 -0.642 -12.025 1.00 . A A . 24 TYR CZ 1 1 7 3983 1 1 24 TYR H H 1.660 0.127 -10.428 1.00 . A A . 24 TYR H 1 1 7 3984 1 1 24 TYR HA H 2.169 2.991 -10.250 1.00 . A A . 24 TYR HA 1 1 7 3985 1 1 24 TYR HB2 H 0.002 3.381 -11.457 1.00 . A A . 24 TYR HB2 1 1 7 3986 1 1 24 TYR HB3 H 1.089 2.468 -12.484 1.00 . A A . 24 TYR HB3 1 1 7 3987 1 1 24 TYR HD1 H -1.612 1.885 -9.943 1.00 . A A . 24 TYR HD1 1 1 7 3988 1 1 24 TYR HD2 H 0.273 0.570 -13.552 1.00 . A A . 24 TYR HD2 1 1 7 3989 1 1 24 TYR HE1 H -3.379 0.077 -10.217 1.00 . A A . 24 TYR HE1 1 1 7 3990 1 1 24 TYR HE2 H -1.500 -1.233 -13.813 1.00 . A A . 24 TYR HE2 1 1 7 3991 1 1 24 TYR HH H -3.305 -2.333 -11.493 1.00 . A A . 24 TYR HH 1 1 7 3992 1 1 24 TYR N N 2.153 0.965 -10.662 1.00 . A A . 24 TYR N 1 1 7 3993 1 1 24 TYR O O 0.354 0.962 -8.631 1.00 . A A . 24 TYR O 1 1 7 3994 1 1 24 TYR OH O -3.451 -1.608 -12.168 1.00 . A A . 24 TYR OH 1 1 7 3995 1 1 25 CYS C C -2.083 3.121 -7.771 1.00 . A A . 25 CYS C 1 1 7 3996 1 1 25 CYS CA C -0.610 3.248 -7.376 1.00 . A A . 25 CYS CA 1 1 7 3997 1 1 25 CYS CB C -0.345 4.510 -6.554 1.00 . A A . 25 CYS CB 1 1 7 3998 1 1 25 CYS H H 0.397 4.113 -8.981 1.00 . A A . 25 CYS H 1 1 7 3999 1 1 25 CYS HA H -0.297 2.395 -6.773 1.00 . A A . 25 CYS HA 1 1 7 4000 1 1 25 CYS HB2 H -0.756 5.367 -7.088 1.00 . A A . 25 CYS HB2 1 1 7 4001 1 1 25 CYS HB3 H -0.886 4.433 -5.612 1.00 . A A . 25 CYS HB3 1 1 7 4002 1 1 25 CYS N N 0.191 3.217 -8.588 1.00 . A A . 25 CYS N 1 1 7 4003 1 1 25 CYS O O -2.618 3.982 -8.468 1.00 . A A . 25 CYS O 1 1 7 4004 1 1 25 CYS SG S 1.420 4.836 -6.194 1.00 . A A . 25 CYS SG 1 1 7 4005 1 1 26 ASP C C -4.858 3.121 -7.604 1.00 . A A . 26 ASP C 1 1 7 4006 1 1 26 ASP CA C -4.097 1.793 -7.602 1.00 . A A . 26 ASP CA 1 1 7 4007 1 1 26 ASP CB C -4.731 0.887 -6.544 1.00 . A A . 26 ASP CB 1 1 7 4008 1 1 26 ASP CG C -5.415 -0.366 -7.093 1.00 . A A . 26 ASP CG 1 1 7 4009 1 1 26 ASP H H -2.254 1.347 -6.740 1.00 . A A . 26 ASP H 1 1 7 4010 1 1 26 ASP HA H -4.101 1.308 -8.579 1.00 . A A . 26 ASP HA 1 1 7 4011 1 1 26 ASP HB2 H -3.957 0.581 -5.840 1.00 . A A . 26 ASP HB2 1 1 7 4012 1 1 26 ASP HB3 H -5.463 1.466 -5.982 1.00 . A A . 26 ASP HB3 1 1 7 4013 1 1 26 ASP HD2 H -4.333 -1.809 -6.549 1.00 . A A . 26 ASP HD2 1 1 7 4014 1 1 26 ASP N N -2.696 2.042 -7.307 1.00 . A A . 26 ASP N 1 1 7 4015 1 1 26 ASP O O -5.189 3.652 -6.545 1.00 . A A . 26 ASP O 1 1 7 4016 1 1 26 ASP OD1 O -6.077 -0.326 -8.141 1.00 . A A . 26 ASP OD1 1 1 7 4017 1 1 26 ASP OD2 O -5.246 -1.433 -6.388 1.00 . A A . 26 ASP OD2 1 1 7 4018 1 1 27 ALA C C -7.271 4.694 -8.483 1.00 . A A . 27 ALA C 1 1 7 4019 1 1 27 ALA CA C -5.827 4.873 -8.959 1.00 . A A . 27 ALA CA 1 1 7 4020 1 1 27 ALA CB C -5.747 5.332 -10.416 1.00 . A A . 27 ALA CB 1 1 7 4021 1 1 27 ALA H H -4.839 3.180 -9.662 1.00 . A A . 27 ALA H 1 1 7 4022 1 1 27 ALA HA H -5.336 5.615 -8.330 1.00 . A A . 27 ALA HA 1 1 7 4023 1 1 27 ALA HB1 H -5.895 4.476 -11.076 1.00 . A A . 27 ALA HB1 1 1 7 4024 1 1 27 ALA HB2 H -6.520 6.075 -10.607 1.00 . A A . 27 ALA HB2 1 1 7 4025 1 1 27 ALA HB3 H -4.768 5.771 -10.605 1.00 . A A . 27 ALA HB3 1 1 7 4026 1 1 27 ALA N N -5.112 3.618 -8.806 1.00 . A A . 27 ALA N 1 1 7 4027 1 1 27 ALA O O -8.026 5.663 -8.402 1.00 . A A . 27 ALA O 1 1 7 4028 1 1 28 ALA C C -8.929 2.960 -6.196 1.00 . A A . 28 ALA C 1 1 7 4029 1 1 28 ALA CA C -8.950 3.132 -7.716 1.00 . A A . 28 ALA CA 1 1 7 4030 1 1 28 ALA CB C -9.458 1.882 -8.438 1.00 . A A . 28 ALA CB 1 1 7 4031 1 1 28 ALA H H -6.991 2.668 -8.250 1.00 . A A . 28 ALA H 1 1 7 4032 1 1 28 ALA HA H -9.597 3.972 -7.969 1.00 . A A . 28 ALA HA 1 1 7 4033 1 1 28 ALA HB1 H -10.490 2.039 -8.752 1.00 . A A . 28 ALA HB1 1 1 7 4034 1 1 28 ALA HB2 H -8.836 1.690 -9.311 1.00 . A A . 28 ALA HB2 1 1 7 4035 1 1 28 ALA HB3 H -9.409 1.028 -7.762 1.00 . A A . 28 ALA HB3 1 1 7 4036 1 1 28 ALA N N -7.611 3.450 -8.181 1.00 . A A . 28 ALA N 1 1 7 4037 1 1 28 ALA O O -9.946 2.623 -5.591 1.00 . A A . 28 ALA O 1 1 7 4038 1 1 29 THR C C -6.949 4.338 -3.609 1.00 . A A . 29 THR C 1 1 7 4039 1 1 29 THR CA C -7.593 3.073 -4.183 1.00 . A A . 29 THR CA 1 1 7 4040 1 1 29 THR CB C -6.786 1.803 -3.908 1.00 . A A . 29 THR CB 1 1 7 4041 1 1 29 THR CG2 C -5.303 2.092 -3.668 1.00 . A A . 29 THR CG2 1 1 7 4042 1 1 29 THR H H -6.937 3.472 -6.119 1.00 . A A . 29 THR H 1 1 7 4043 1 1 29 THR HA H -8.580 2.984 -3.729 1.00 . A A . 29 THR HA 1 1 7 4044 1 1 29 THR HB H -6.916 1.078 -4.712 1.00 . A A . 29 THR HB 1 1 7 4045 1 1 29 THR HG1 H -6.974 0.411 -2.482 1.00 . A A . 29 THR HG1 1 1 7 4046 1 1 29 THR HG21 H -4.700 1.317 -4.142 1.00 . A A . 29 THR HG21 1 1 7 4047 1 1 29 THR HG22 H -5.048 3.062 -4.095 1.00 . A A . 29 THR HG22 1 1 7 4048 1 1 29 THR HG23 H -5.103 2.102 -2.596 1.00 . A A . 29 THR HG23 1 1 7 4049 1 1 29 THR N N -7.759 3.198 -5.621 1.00 . A A . 29 THR N 1 1 7 4050 1 1 29 THR O O -6.387 4.311 -2.515 1.00 . A A . 29 THR O 1 1 7 4051 1 1 29 THR OG1 O -7.262 1.355 -2.642 1.00 . A A . 29 THR OG1 1 1 7 4052 1 1 30 LEU C C -4.963 6.611 -4.031 1.00 . A A . 30 LEU C 1 1 7 4053 1 1 30 LEU CA C -6.489 6.687 -3.954 1.00 . A A . 30 LEU CA 1 1 7 4054 1 1 30 LEU CB C -7.016 7.078 -2.572 1.00 . A A . 30 LEU CB 1 1 7 4055 1 1 30 LEU CD1 C -8.900 7.177 -0.898 1.00 . A A . 30 LEU CD1 1 1 7 4056 1 1 30 LEU CD2 C -9.316 7.787 -3.325 1.00 . A A . 30 LEU CD2 1 1 7 4057 1 1 30 LEU CG C -8.521 6.909 -2.356 1.00 . A A . 30 LEU CG 1 1 7 4058 1 1 30 LEU H H -7.512 5.429 -5.260 1.00 . A A . 30 LEU H 1 1 7 4059 1 1 30 LEU HA H -6.834 7.444 -4.657 1.00 . A A . 30 LEU HA 1 1 7 4060 1 1 30 LEU HB2 H -6.493 6.483 -1.823 1.00 . A A . 30 LEU HB2 1 1 7 4061 1 1 30 LEU HB3 H -6.757 8.121 -2.388 1.00 . A A . 30 LEU HB3 1 1 7 4062 1 1 30 LEU HD11 H -9.526 8.068 -0.843 1.00 . A A . 30 LEU HD11 1 1 7 4063 1 1 30 LEU HD12 H -9.448 6.322 -0.502 1.00 . A A . 30 LEU HD12 1 1 7 4064 1 1 30 LEU HD13 H -7.995 7.332 -0.311 1.00 . A A . 30 LEU HD13 1 1 7 4065 1 1 30 LEU HD21 H -8.627 8.330 -3.972 1.00 . A A . 30 LEU HD21 1 1 7 4066 1 1 30 LEU HD22 H -9.967 7.160 -3.933 1.00 . A A . 30 LEU HD22 1 1 7 4067 1 1 30 LEU HD23 H -9.919 8.499 -2.760 1.00 . A A . 30 LEU HD23 1 1 7 4068 1 1 30 LEU HG H -8.784 5.873 -2.572 1.00 . A A . 30 LEU HG 1 1 7 4069 1 1 30 LEU N N -7.053 5.416 -4.372 1.00 . A A . 30 LEU N 1 1 7 4070 1 1 30 LEU O O -4.266 7.182 -3.192 1.00 . A A . 30 LEU O 1 1 7 4071 1 1 31 TRP C C -2.416 5.489 -3.877 1.00 . A A . 31 TRP C 1 1 7 4072 1 1 31 TRP CA C -3.056 5.749 -5.243 1.00 . A A . 31 TRP CA 1 1 7 4073 1 1 31 TRP CB C -2.465 6.965 -5.959 1.00 . A A . 31 TRP CB 1 1 7 4074 1 1 31 TRP CD1 C -2.330 6.908 -8.536 1.00 . A A . 31 TRP CD1 1 1 7 4075 1 1 31 TRP CD2 C -4.278 7.645 -7.778 1.00 . A A . 31 TRP CD2 1 1 7 4076 1 1 31 TRP CE2 C -4.338 7.664 -9.157 1.00 . A A . 31 TRP CE2 1 1 7 4077 1 1 31 TRP CE3 C -5.368 8.058 -6.991 1.00 . A A . 31 TRP CE3 1 1 7 4078 1 1 31 TRP CG C -2.977 7.155 -7.388 1.00 . A A . 31 TRP CG 1 1 7 4079 1 1 31 TRP CH2 C -6.563 8.505 -9.107 1.00 . A A . 31 TRP CH2 1 1 7 4080 1 1 31 TRP CZ2 C -5.466 8.088 -9.869 1.00 . A A . 31 TRP CZ2 1 1 7 4081 1 1 31 TRP CZ3 C -6.487 8.478 -7.719 1.00 . A A . 31 TRP CZ3 1 1 7 4082 1 1 31 TRP H H -5.060 5.445 -5.723 1.00 . A A . 31 TRP H 1 1 7 4083 1 1 31 TRP HA H -2.902 4.890 -5.896 1.00 . A A . 31 TRP HA 1 1 7 4084 1 1 31 TRP HB2 H -2.692 7.860 -5.380 1.00 . A A . 31 TRP HB2 1 1 7 4085 1 1 31 TRP HB3 H -1.380 6.867 -5.983 1.00 . A A . 31 TRP HB3 1 1 7 4086 1 1 31 TRP HD1 H -1.312 6.524 -8.596 1.00 . A A . 31 TRP HD1 1 1 7 4087 1 1 31 TRP HE1 H -2.830 7.092 -10.678 1.00 . A A . 31 TRP HE1 1 1 7 4088 1 1 31 TRP HE3 H -5.345 8.052 -5.902 1.00 . A A . 31 TRP HE3 1 1 7 4089 1 1 31 TRP HH2 H -7.473 8.847 -9.599 1.00 . A A . 31 TRP HH2 1 1 7 4090 1 1 31 TRP HZ2 H -5.488 8.094 -10.958 1.00 . A A . 31 TRP HZ2 1 1 7 4091 1 1 31 TRP HZ3 H -7.361 8.809 -7.157 1.00 . A A . 31 TRP HZ3 1 1 7 4092 1 1 31 TRP N N -4.487 5.905 -5.046 1.00 . A A . 31 TRP N 1 1 7 4093 1 1 31 TRP NE1 N -3.116 7.201 -9.632 1.00 . A A . 31 TRP NE1 1 1 7 4094 1 1 31 TRP O O -1.715 6.348 -3.344 1.00 . A A . 31 TRP O 1 1 7 4095 1 1 32 LEU C C -1.280 2.663 -2.223 1.00 . A A . 32 LEU C 1 1 7 4096 1 1 32 LEU CA C -2.138 3.919 -2.060 1.00 . A A . 32 LEU CA 1 1 7 4097 1 1 32 LEU CB C -3.260 3.769 -1.031 1.00 . A A . 32 LEU CB 1 1 7 4098 1 1 32 LEU CD1 C -1.553 3.202 0.736 1.00 . A A . 32 LEU CD1 1 1 7 4099 1 1 32 LEU CD2 C -4.030 3.027 1.253 1.00 . A A . 32 LEU CD2 1 1 7 4100 1 1 32 LEU CG C -2.945 2.892 0.183 1.00 . A A . 32 LEU CG 1 1 7 4101 1 1 32 LEU H H -3.250 3.610 -3.793 1.00 . A A . 32 LEU H 1 1 7 4102 1 1 32 LEU HA H -1.497 4.733 -1.720 1.00 . A A . 32 LEU HA 1 1 7 4103 1 1 32 LEU HB2 H -3.537 4.761 -0.676 1.00 . A A . 32 LEU HB2 1 1 7 4104 1 1 32 LEU HB3 H -4.134 3.355 -1.535 1.00 . A A . 32 LEU HB3 1 1 7 4105 1 1 32 LEU HD11 H -1.647 3.675 1.713 1.00 . A A . 32 LEU HD11 1 1 7 4106 1 1 32 LEU HD12 H -0.986 2.276 0.834 1.00 . A A . 32 LEU HD12 1 1 7 4107 1 1 32 LEU HD13 H -1.033 3.875 0.054 1.00 . A A . 32 LEU HD13 1 1 7 4108 1 1 32 LEU HD21 H -4.196 4.082 1.470 1.00 . A A . 32 LEU HD21 1 1 7 4109 1 1 32 LEU HD22 H -4.955 2.580 0.890 1.00 . A A . 32 LEU HD22 1 1 7 4110 1 1 32 LEU HD23 H -3.710 2.515 2.161 1.00 . A A . 32 LEU HD23 1 1 7 4111 1 1 32 LEU HG H -2.939 1.851 -0.139 1.00 . A A . 32 LEU HG 1 1 7 4112 1 1 32 LEU N N -2.680 4.302 -3.353 1.00 . A A . 32 LEU N 1 1 7 4113 1 1 32 LEU O O -0.212 2.553 -1.623 1.00 . A A . 32 LEU O 1 1 7 4114 1 1 33 ARG C C 0.034 0.717 -4.320 1.00 . A A . 33 ARG C 1 1 7 4115 1 1 33 ARG CA C -1.074 0.500 -3.286 1.00 . A A . 33 ARG CA 1 1 7 4116 1 1 33 ARG CB C -2.028 -0.583 -3.792 1.00 . A A . 33 ARG CB 1 1 7 4117 1 1 33 ARG CD C -2.779 -2.976 -3.531 1.00 . A A . 33 ARG CD 1 1 7 4118 1 1 33 ARG CG C -1.862 -1.877 -2.992 1.00 . A A . 33 ARG CG 1 1 7 4119 1 1 33 ARG CZ C -2.764 -5.477 -3.500 1.00 . A A . 33 ARG CZ 1 1 7 4120 1 1 33 ARG H H -2.650 1.842 -3.521 1.00 . A A . 33 ARG H 1 1 7 4121 1 1 33 ARG HA H -0.659 0.217 -2.320 1.00 . A A . 33 ARG HA 1 1 7 4122 1 1 33 ARG HB2 H -3.057 -0.232 -3.714 1.00 . A A . 33 ARG HB2 1 1 7 4123 1 1 33 ARG HB3 H -1.838 -0.777 -4.848 1.00 . A A . 33 ARG HB3 1 1 7 4124 1 1 33 ARG HD2 H -3.722 -2.977 -2.983 1.00 . A A . 33 ARG HD2 1 1 7 4125 1 1 33 ARG HD3 H -3.018 -2.782 -4.577 1.00 . A A . 33 ARG HD3 1 1 7 4126 1 1 33 ARG HE H -1.135 -4.311 -3.227 1.00 . A A . 33 ARG HE 1 1 7 4127 1 1 33 ARG HG2 H -0.825 -2.207 -3.040 1.00 . A A . 33 ARG HG2 1 1 7 4128 1 1 33 ARG HG3 H -2.089 -1.691 -1.943 1.00 . A A . 33 ARG HG3 1 1 7 4129 1 1 33 ARG HH11 H -4.609 -4.663 -3.832 1.00 . A A . 33 ARG HH11 1 1 7 4130 1 1 33 ARG HH12 H -4.563 -6.394 -3.804 1.00 . A A . 33 ARG HH12 1 1 7 4131 1 1 33 ARG HH21 H -2.475 -7.509 -3.426 1.00 . A A . 33 ARG HH21 1 1 7 4132 1 1 33 ARG N N -1.780 1.745 -3.037 1.00 . A A . 33 ARG N 1 1 7 4133 1 1 33 ARG NE N -2.120 -4.295 -3.400 1.00 . A A . 33 ARG NE 1 1 7 4134 1 1 33 ARG NH1 N -4.093 -5.514 -3.732 1.00 . A A . 33 ARG NH1 1 1 7 4135 1 1 33 ARG NH2 N -2.075 -6.595 -3.367 1.00 . A A . 33 ARG NH2 1 1 7 4136 1 1 33 ARG O O 0.254 1.839 -4.773 1.00 . A A . 33 ARG O 1 1 7 4137 1 1 34 CYS C C 1.796 -1.635 -6.412 1.00 . A A . 34 CYS C 1 1 7 4138 1 1 34 CYS CA C 1.781 -0.319 -5.633 1.00 . A A . 34 CYS CA 1 1 7 4139 1 1 34 CYS CB C 3.128 -0.036 -4.966 1.00 . A A . 34 CYS CB 1 1 7 4140 1 1 34 CYS H H 0.516 -1.285 -4.288 1.00 . A A . 34 CYS H 1 1 7 4141 1 1 34 CYS HA H 1.563 0.520 -6.295 1.00 . A A . 34 CYS HA 1 1 7 4142 1 1 34 CYS HB2 H 3.136 -0.504 -3.982 1.00 . A A . 34 CYS HB2 1 1 7 4143 1 1 34 CYS HB3 H 3.915 -0.511 -5.551 1.00 . A A . 34 CYS HB3 1 1 7 4144 1 1 34 CYS N N 0.702 -0.375 -4.662 1.00 . A A . 34 CYS N 1 1 7 4145 1 1 34 CYS O O 2.480 -2.582 -6.026 1.00 . A A . 34 CYS O 1 1 7 4146 1 1 34 CYS SG S 3.532 1.739 -4.774 1.00 . A A . 34 CYS SG 1 1 7 4147 1 1 35 THR C C 2.037 -2.810 -9.407 1.00 . A A . 35 THR C 1 1 7 4148 1 1 35 THR CA C 0.949 -2.839 -8.331 1.00 . A A . 35 THR CA 1 1 7 4149 1 1 35 THR CB C -0.468 -2.916 -8.902 1.00 . A A . 35 THR CB 1 1 7 4150 1 1 35 THR CG2 C -0.498 -2.741 -10.421 1.00 . A A . 35 THR CG2 1 1 7 4151 1 1 35 THR H H 0.479 -0.880 -7.802 1.00 . A A . 35 THR H 1 1 7 4152 1 1 35 THR HA H 1.138 -3.714 -7.709 1.00 . A A . 35 THR HA 1 1 7 4153 1 1 35 THR HB H -1.124 -2.195 -8.415 1.00 . A A . 35 THR HB 1 1 7 4154 1 1 35 THR HG1 H -1.703 -4.465 -9.188 1.00 . A A . 35 THR HG1 1 1 7 4155 1 1 35 THR HG21 H -0.151 -1.740 -10.679 1.00 . A A . 35 THR HG21 1 1 7 4156 1 1 35 THR HG22 H 0.153 -3.482 -10.886 1.00 . A A . 35 THR HG22 1 1 7 4157 1 1 35 THR HG23 H -1.517 -2.876 -10.783 1.00 . A A . 35 THR HG23 1 1 7 4158 1 1 35 THR N N 1.032 -1.654 -7.495 1.00 . A A . 35 THR N 1 1 7 4159 1 1 35 THR O O 2.144 -1.844 -10.161 1.00 . A A . 35 THR O 1 1 7 4160 1 1 35 THR OG1 O -0.850 -4.274 -8.702 1.00 . A A . 35 THR OG1 1 1 7 4161 1 1 36 CYS C C 3.306 -4.530 -11.722 1.00 . A A . 36 CYS C 1 1 7 4162 1 1 36 CYS CA C 3.891 -3.991 -10.415 1.00 . A A . 36 CYS CA 1 1 7 4163 1 1 36 CYS CB C 5.034 -4.866 -9.898 1.00 . A A . 36 CYS CB 1 1 7 4164 1 1 36 CYS H H 2.722 -4.663 -8.828 1.00 . A A . 36 CYS H 1 1 7 4165 1 1 36 CYS HA H 4.290 -2.986 -10.556 1.00 . A A . 36 CYS HA 1 1 7 4166 1 1 36 CYS HB2 H 4.616 -5.800 -9.520 1.00 . A A . 36 CYS HB2 1 1 7 4167 1 1 36 CYS HB3 H 5.684 -5.124 -10.733 1.00 . A A . 36 CYS HB3 1 1 7 4168 1 1 36 CYS N N 2.815 -3.881 -9.444 1.00 . A A . 36 CYS N 1 1 7 4169 1 1 36 CYS O O 2.837 -5.666 -11.774 1.00 . A A . 36 CYS O 1 1 7 4170 1 1 36 CYS SG S 6.050 -4.103 -8.580 1.00 . A A . 36 CYS SG 1 1 7 4171 1 1 37 THR C C 3.976 -4.256 -15.045 1.00 . A A . 37 THR C 1 1 7 4172 1 1 37 THR CA C 2.831 -4.068 -14.048 1.00 . A A . 37 THR CA 1 1 7 4173 1 1 37 THR CB C 1.819 -3.005 -14.479 1.00 . A A . 37 THR CB 1 1 7 4174 1 1 37 THR CG2 C 1.023 -2.441 -13.300 1.00 . A A . 37 THR CG2 1 1 7 4175 1 1 37 THR H H 3.734 -2.767 -12.695 1.00 . A A . 37 THR H 1 1 7 4176 1 1 37 THR HA H 2.329 -5.030 -13.951 1.00 . A A . 37 THR HA 1 1 7 4177 1 1 37 THR HB H 1.151 -3.393 -15.249 1.00 . A A . 37 THR HB 1 1 7 4178 1 1 37 THR HG1 H 3.232 -1.623 -14.170 1.00 . A A . 37 THR HG1 1 1 7 4179 1 1 37 THR HG21 H 0.452 -1.573 -13.629 1.00 . A A . 37 THR HG21 1 1 7 4180 1 1 37 THR HG22 H 0.341 -3.204 -12.925 1.00 . A A . 37 THR HG22 1 1 7 4181 1 1 37 THR HG23 H 1.710 -2.145 -12.507 1.00 . A A . 37 THR HG23 1 1 7 4182 1 1 37 THR N N 3.351 -3.690 -12.745 1.00 . A A . 37 THR N 1 1 7 4183 1 1 37 THR O O 4.967 -3.529 -15.003 1.00 . A A . 37 THR O 1 1 7 4184 1 1 37 THR OG1 O 2.624 -1.912 -14.909 1.00 . A A . 37 THR OG1 1 1 7 4185 1 1 38 ASP C C 6.120 -5.905 -16.234 1.00 . A A . 38 ASP C 1 1 7 4186 1 1 38 ASP CA C 4.808 -5.531 -16.925 1.00 . A A . 38 ASP CA 1 1 7 4187 1 1 38 ASP CB C 5.072 -4.312 -17.812 1.00 . A A . 38 ASP CB 1 1 7 4188 1 1 38 ASP CG C 4.103 -4.143 -18.984 1.00 . A A . 38 ASP CG 1 1 7 4189 1 1 38 ASP H H 2.992 -5.824 -15.947 1.00 . A A . 38 ASP H 1 1 7 4190 1 1 38 ASP HA H 4.396 -6.351 -17.511 1.00 . A A . 38 ASP HA 1 1 7 4191 1 1 38 ASP HB2 H 5.031 -3.415 -17.193 1.00 . A A . 38 ASP HB2 1 1 7 4192 1 1 38 ASP HB3 H 6.086 -4.381 -18.206 1.00 . A A . 38 ASP HB3 1 1 7 4193 1 1 38 ASP HD2 H 3.532 -2.350 -18.896 1.00 . A A . 38 ASP HD2 1 1 7 4194 1 1 38 ASP N N 3.802 -5.237 -15.919 1.00 . A A . 38 ASP N 1 1 7 4195 1 1 38 ASP O O 6.451 -5.357 -15.183 1.00 . A A . 38 ASP O 1 1 7 4196 1 1 38 ASP OD1 O 3.422 -5.095 -19.393 1.00 . A A . 38 ASP OD1 1 1 7 4197 1 1 38 ASP OD2 O 4.061 -2.957 -19.490 1.00 . A A . 38 ASP OD2 1 1 7 4198 1 1 39 CYS C C 8.931 -7.876 -17.452 1.00 . A A . 39 CYS C 1 1 7 4199 1 1 39 CYS CA C 8.101 -7.292 -16.308 1.00 . A A . 39 CYS CA 1 1 7 4200 1 1 39 CYS CB C 7.902 -8.299 -15.174 1.00 . A A . 39 CYS CB 1 1 7 4201 1 1 39 CYS H H 6.555 -7.278 -17.704 1.00 . A A . 39 CYS H 1 1 7 4202 1 1 39 CYS HA H 8.591 -6.416 -15.882 1.00 . A A . 39 CYS HA 1 1 7 4203 1 1 39 CYS HB2 H 7.420 -9.190 -15.578 1.00 . A A . 39 CYS HB2 1 1 7 4204 1 1 39 CYS HB3 H 8.880 -8.607 -14.804 1.00 . A A . 39 CYS HB3 1 1 7 4205 1 1 39 CYS N N 6.832 -6.838 -16.851 1.00 . A A . 39 CYS N 1 1 7 4206 1 1 39 CYS O O 8.405 -8.147 -18.530 1.00 . A A . 39 CYS O 1 1 7 4207 1 1 39 CYS SG S 6.909 -7.685 -13.765 1.00 . A A . 39 CYS SG 1 1 7 4208 1 1 40 ASN C C 11.861 -9.800 -17.575 1.00 . A A . 40 ASN C 1 1 7 4209 1 1 40 ASN CA C 11.124 -8.600 -18.171 1.00 . A A . 40 ASN CA 1 1 7 4210 1 1 40 ASN CB C 12.169 -7.565 -18.591 1.00 . A A . 40 ASN CB 1 1 7 4211 1 1 40 ASN CG C 11.770 -6.883 -19.901 1.00 . A A . 40 ASN CG 1 1 7 4212 1 1 40 ASN H H 10.636 -7.829 -16.298 1.00 . A A . 40 ASN H 1 1 7 4213 1 1 40 ASN HA H 10.493 -8.876 -19.016 1.00 . A A . 40 ASN HA 1 1 7 4214 1 1 40 ASN HB2 H 12.280 -6.816 -17.806 1.00 . A A . 40 ASN HB2 1 1 7 4215 1 1 40 ASN HB3 H 13.139 -8.049 -18.710 1.00 . A A . 40 ASN HB3 1 1 7 4216 1 1 40 ASN HD21 H 13.736 -6.652 -20.326 1.00 . A A . 40 ASN HD21 1 1 7 4217 1 1 40 ASN HD22 H 12.642 -6.035 -21.519 1.00 . A A . 40 ASN HD22 1 1 7 4218 1 1 40 ASN N N 10.215 -8.053 -17.178 1.00 . A A . 40 ASN N 1 1 7 4219 1 1 40 ASN ND2 N 12.801 -6.492 -20.644 1.00 . A A . 40 ASN ND2 1 1 7 4220 1 1 40 ASN O O 13.022 -9.690 -17.185 1.00 . A A . 40 ASN O 1 1 7 4221 1 1 40 ASN OD1 O 10.602 -6.723 -20.217 1.00 . A A . 40 ASN OD1 1 1 7 4222 1 1 41 GLY C C 10.652 -13.011 -16.329 1.00 . A A . 41 GLY C 1 1 7 4223 1 1 41 GLY CA C 11.729 -12.141 -16.979 1.00 . A A . 41 GLY CA 1 1 7 4224 1 1 41 GLY H H 10.212 -11.003 -17.841 1.00 . A A . 41 GLY H 1 1 7 4225 1 1 41 GLY HA2 H 12.221 -12.701 -17.775 1.00 . A A . 41 GLY HA2 1 1 7 4226 1 1 41 GLY HA3 H 12.494 -11.893 -16.245 1.00 . A A . 41 GLY HA3 1 1 7 4227 1 1 41 GLY N N 11.156 -10.922 -17.522 1.00 . A A . 41 GLY N 1 1 7 4228 1 1 41 GLY O O 10.707 -13.281 -15.130 1.00 . A A . 41 GLY O 1 1 7 4229 1 1 42 LYS C C 8.822 -15.697 -17.144 1.00 . A A . 42 LYS C 1 1 7 4230 1 1 42 LYS CA C 8.607 -14.259 -16.667 1.00 . A A . 42 LYS CA 1 1 7 4231 1 1 42 LYS CB C 7.258 -13.670 -17.081 1.00 . A A . 42 LYS CB 1 1 7 4232 1 1 42 LYS CD C 7.101 -12.565 -19.343 1.00 . A A . 42 LYS CD 1 1 7 4233 1 1 42 LYS CE C 5.776 -11.800 -19.297 1.00 . A A . 42 LYS CE 1 1 7 4234 1 1 42 LYS CG C 7.000 -13.884 -18.574 1.00 . A A . 42 LYS CG 1 1 7 4235 1 1 42 LYS H H 9.658 -13.201 -18.122 1.00 . A A . 42 LYS H 1 1 7 4236 1 1 42 LYS HA H 8.643 -14.247 -15.579 1.00 . A A . 42 LYS HA 1 1 7 4237 1 1 42 LYS HB2 H 6.460 -14.133 -16.500 1.00 . A A . 42 LYS HB2 1 1 7 4238 1 1 42 LYS HB3 H 7.238 -12.603 -16.855 1.00 . A A . 42 LYS HB3 1 1 7 4239 1 1 42 LYS HD2 H 7.894 -11.951 -18.918 1.00 . A A . 42 LYS HD2 1 1 7 4240 1 1 42 LYS HD3 H 7.374 -12.764 -20.380 1.00 . A A . 42 LYS HD3 1 1 7 4241 1 1 42 LYS HE2 H 4.950 -12.500 -19.178 1.00 . A A . 42 LYS HE2 1 1 7 4242 1 1 42 LYS HE3 H 5.761 -11.140 -18.429 1.00 . A A . 42 LYS HE3 1 1 7 4243 1 1 42 LYS HG2 H 7.721 -14.597 -18.973 1.00 . A A . 42 LYS HG2 1 1 7 4244 1 1 42 LYS HG3 H 6.011 -14.318 -18.718 1.00 . A A . 42 LYS HG3 1 1 7 4245 1 1 42 LYS HZ1 H 4.640 -11.068 -20.883 1.00 . A A . 42 LYS HZ1 1 1 7 4246 1 1 42 LYS HZ2 H 5.791 -10.026 -20.389 1.00 . A A . 42 LYS HZ2 1 1 7 4247 1 1 42 LYS N N 9.696 -13.425 -17.148 1.00 . A A . 42 LYS N 1 1 7 4248 1 1 42 LYS NZ N 5.591 -11.009 -20.534 1.00 . A A . 42 LYS NZ 1 1 7 4249 1 1 42 LYS O O 9.450 -15.924 -18.177 1.00 . A A . 42 LYS O 1 1 7 4250 1 1 43 LYS C C 9.898 -18.402 -16.812 1.00 . A A . 43 LYS C 1 1 7 4251 1 1 43 LYS CA C 8.415 -18.039 -16.700 1.00 . A A . 43 LYS CA 1 1 7 4252 1 1 43 LYS CB C 7.605 -18.370 -17.955 1.00 . A A . 43 LYS CB 1 1 7 4253 1 1 43 LYS CD C 5.342 -17.499 -17.261 1.00 . A A . 43 LYS CD 1 1 7 4254 1 1 43 LYS CE C 3.846 -17.820 -17.242 1.00 . A A . 43 LYS CE 1 1 7 4255 1 1 43 LYS CG C 6.165 -18.744 -17.595 1.00 . A A . 43 LYS CG 1 1 7 4256 1 1 43 LYS H H 7.780 -16.436 -15.531 1.00 . A A . 43 LYS H 1 1 7 4257 1 1 43 LYS HA H 7.981 -18.608 -15.877 1.00 . A A . 43 LYS HA 1 1 7 4258 1 1 43 LYS HB2 H 7.603 -17.512 -18.628 1.00 . A A . 43 LYS HB2 1 1 7 4259 1 1 43 LYS HB3 H 8.075 -19.194 -18.490 1.00 . A A . 43 LYS HB3 1 1 7 4260 1 1 43 LYS HD2 H 5.645 -17.108 -16.290 1.00 . A A . 43 LYS HD2 1 1 7 4261 1 1 43 LYS HD3 H 5.541 -16.719 -17.996 1.00 . A A . 43 LYS HD3 1 1 7 4262 1 1 43 LYS HE2 H 3.627 -18.607 -17.965 1.00 . A A . 43 LYS HE2 1 1 7 4263 1 1 43 LYS HE3 H 3.562 -18.201 -16.261 1.00 . A A . 43 LYS HE3 1 1 7 4264 1 1 43 LYS HG2 H 5.706 -19.276 -18.428 1.00 . A A . 43 LYS HG2 1 1 7 4265 1 1 43 LYS HG3 H 6.165 -19.424 -16.743 1.00 . A A . 43 LYS HG3 1 1 7 4266 1 1 43 LYS HZ1 H 3.502 -16.036 -18.263 1.00 . A A . 43 LYS HZ1 1 1 7 4267 1 1 43 LYS HZ2 H 2.132 -16.845 -17.917 1.00 . A A . 43 LYS HZ2 1 1 7 4268 1 1 43 LYS N N 8.289 -16.629 -16.369 1.00 . A A . 43 LYS N 1 1 7 4269 1 1 43 LYS NZ N 3.052 -16.612 -17.560 1.00 . A A . 43 LYS NZ 1 1 7 4270 1 1 43 LYS O O 10.469 -18.362 -17.900 1.00 . A A . 43 LYS O 1 1 8 4271 1 1 1 GLY C C 3.737 0.045 -0.629 1.00 . A A . 1 GLY C 1 1 8 4272 1 1 1 GLY CA C 2.222 0.068 -0.850 1.00 . A A . 1 GLY CA 1 1 8 4273 1 1 1 GLY H1 H 1.142 0.947 0.698 1.00 . A A . 1 GLY H1 1 1 8 4274 1 1 1 GLY HA2 H 1.786 -0.868 -0.500 1.00 . A A . 1 GLY HA2 1 1 8 4275 1 1 1 GLY HA3 H 2.008 0.139 -1.917 1.00 . A A . 1 GLY HA3 1 1 8 4276 1 1 1 GLY N N 1.611 1.185 -0.152 1.00 . A A . 1 GLY N 1 1 8 4277 1 1 1 GLY O O 4.244 -0.775 0.133 1.00 . A A . 1 GLY O 1 1 8 4278 1 1 2 PHE C C 6.356 2.427 -1.650 1.00 . A A . 2 PHE C 1 1 8 4279 1 1 2 PHE CA C 5.861 1.052 -1.199 1.00 . A A . 2 PHE CA 1 1 8 4280 1 1 2 PHE CB C 6.453 -0.018 -2.118 1.00 . A A . 2 PHE CB 1 1 8 4281 1 1 2 PHE CD1 C 7.665 -1.510 -0.514 1.00 . A A . 2 PHE CD1 1 1 8 4282 1 1 2 PHE CD2 C 5.887 -2.430 -1.755 1.00 . A A . 2 PHE CD2 1 1 8 4283 1 1 2 PHE CE1 C 7.873 -2.765 0.118 1.00 . A A . 2 PHE CE1 1 1 8 4284 1 1 2 PHE CE2 C 6.095 -3.685 -1.123 1.00 . A A . 2 PHE CE2 1 1 8 4285 1 1 2 PHE CG C 6.677 -1.369 -1.437 1.00 . A A . 2 PHE CG 1 1 8 4286 1 1 2 PHE CZ C 7.084 -3.825 -0.199 1.00 . A A . 2 PHE CZ 1 1 8 4287 1 1 2 PHE H H 3.995 1.620 -1.929 1.00 . A A . 2 PHE H 1 1 8 4288 1 1 2 PHE HA H 6.114 0.903 -0.149 1.00 . A A . 2 PHE HA 1 1 8 4289 1 1 2 PHE HB2 H 5.787 -0.158 -2.971 1.00 . A A . 2 PHE HB2 1 1 8 4290 1 1 2 PHE HB3 H 7.403 0.342 -2.511 1.00 . A A . 2 PHE HB3 1 1 8 4291 1 1 2 PHE HD1 H 8.298 -0.660 -0.260 1.00 . A A . 2 PHE HD1 1 1 8 4292 1 1 2 PHE HD2 H 5.094 -2.317 -2.494 1.00 . A A . 2 PHE HD2 1 1 8 4293 1 1 2 PHE HE1 H 8.666 -2.878 0.858 1.00 . A A . 2 PHE HE1 1 1 8 4294 1 1 2 PHE HE2 H 5.462 -4.535 -1.377 1.00 . A A . 2 PHE HE2 1 1 8 4295 1 1 2 PHE HZ H 7.244 -4.788 0.285 1.00 . A A . 2 PHE HZ 1 1 8 4296 1 1 2 PHE N N 4.415 0.956 -1.310 1.00 . A A . 2 PHE N 1 1 8 4297 1 1 2 PHE O O 7.369 2.530 -2.340 1.00 . A A . 2 PHE O 1 1 8 4298 1 1 3 GLY C C 4.741 5.723 -1.564 1.00 . A A . 3 GLY C 1 1 8 4299 1 1 3 GLY CA C 5.971 4.814 -1.595 1.00 . A A . 3 GLY CA 1 1 8 4300 1 1 3 GLY H H 4.796 3.357 -0.681 1.00 . A A . 3 GLY H 1 1 8 4301 1 1 3 GLY HA2 H 6.724 5.191 -0.904 1.00 . A A . 3 GLY HA2 1 1 8 4302 1 1 3 GLY HA3 H 6.415 4.832 -2.591 1.00 . A A . 3 GLY HA3 1 1 8 4303 1 1 3 GLY N N 5.619 3.450 -1.242 1.00 . A A . 3 GLY N 1 1 8 4304 1 1 3 GLY O O 4.781 6.809 -0.986 1.00 . A A . 3 GLY O 1 1 8 4305 1 1 4 CYS C C 1.778 5.941 -0.864 1.00 . A A . 4 CYS C 1 1 8 4306 1 1 4 CYS CA C 2.436 6.004 -2.244 1.00 . A A . 4 CYS CA 1 1 8 4307 1 1 4 CYS CB C 1.505 5.490 -3.344 1.00 . A A . 4 CYS CB 1 1 8 4308 1 1 4 CYS H H 3.651 4.364 -2.661 1.00 . A A . 4 CYS H 1 1 8 4309 1 1 4 CYS HA H 2.705 7.029 -2.498 1.00 . A A . 4 CYS HA 1 1 8 4310 1 1 4 CYS HB2 H 1.792 4.469 -3.595 1.00 . A A . 4 CYS HB2 1 1 8 4311 1 1 4 CYS HB3 H 0.490 5.449 -2.951 1.00 . A A . 4 CYS HB3 1 1 8 4312 1 1 4 CYS N N 3.676 5.247 -2.192 1.00 . A A . 4 CYS N 1 1 8 4313 1 1 4 CYS O O 2.102 5.072 -0.057 1.00 . A A . 4 CYS O 1 1 8 4314 1 1 4 CYS SG S 1.501 6.493 -4.875 1.00 . A A . 4 CYS SG 1 1 8 4315 1 1 5 PRO C C 1.621 8.947 -1.745 1.00 . A A . 5 PRO C 1 1 8 4316 1 1 5 PRO CA C 0.518 7.891 -1.640 1.00 . A A . 5 PRO CA 1 1 8 4317 1 1 5 PRO CB C -0.819 8.471 -1.207 1.00 . A A . 5 PRO CB 1 1 8 4318 1 1 5 PRO CD C 0.070 7.062 0.598 1.00 . A A . 5 PRO CD 1 1 8 4319 1 1 5 PRO CG C -0.970 8.119 0.264 1.00 . A A . 5 PRO CG 1 1 8 4320 1 1 5 PRO HA H 0.462 7.463 -2.542 1.00 . A A . 5 PRO HA 1 1 8 4321 1 1 5 PRO HB2 H -0.843 9.551 -1.355 1.00 . A A . 5 PRO HB2 1 1 8 4322 1 1 5 PRO HB3 H -1.636 8.051 -1.796 1.00 . A A . 5 PRO HB3 1 1 8 4323 1 1 5 PRO HD2 H 0.704 7.379 1.426 1.00 . A A . 5 PRO HD2 1 1 8 4324 1 1 5 PRO HD3 H -0.401 6.125 0.898 1.00 . A A . 5 PRO HD3 1 1 8 4325 1 1 5 PRO HG2 H -0.828 9.004 0.884 1.00 . A A . 5 PRO HG2 1 1 8 4326 1 1 5 PRO HG3 H -1.973 7.746 0.466 1.00 . A A . 5 PRO HG3 1 1 8 4327 1 1 5 PRO N N 0.842 6.899 -0.630 1.00 . A A . 5 PRO N 1 1 8 4328 1 1 5 PRO O O 2.431 9.097 -0.832 1.00 . A A . 5 PRO O 1 1 8 4329 1 1 6 GLY C C 3.964 10.079 -3.460 1.00 . A A . 6 GLY C 1 1 8 4330 1 1 6 GLY CA C 2.606 10.688 -3.105 1.00 . A A . 6 GLY CA 1 1 8 4331 1 1 6 GLY H H 0.953 9.523 -3.606 1.00 . A A . 6 GLY H 1 1 8 4332 1 1 6 GLY HA2 H 2.272 11.336 -3.914 1.00 . A A . 6 GLY HA2 1 1 8 4333 1 1 6 GLY HA3 H 2.704 11.311 -2.216 1.00 . A A . 6 GLY HA3 1 1 8 4334 1 1 6 GLY N N 1.616 9.651 -2.868 1.00 . A A . 6 GLY N 1 1 8 4335 1 1 6 GLY O O 4.982 10.437 -2.870 1.00 . A A . 6 GLY O 1 1 8 4336 1 1 7 ASN C C 4.787 7.361 -5.811 1.00 . A A . 7 ASN C 1 1 8 4337 1 1 7 ASN CA C 5.150 8.506 -4.863 1.00 . A A . 7 ASN CA 1 1 8 4338 1 1 7 ASN CB C 5.915 7.914 -3.678 1.00 . A A . 7 ASN CB 1 1 8 4339 1 1 7 ASN CG C 7.215 8.682 -3.426 1.00 . A A . 7 ASN CG 1 1 8 4340 1 1 7 ASN H H 3.102 8.883 -4.898 1.00 . A A . 7 ASN H 1 1 8 4341 1 1 7 ASN HA H 5.739 9.282 -5.353 1.00 . A A . 7 ASN HA 1 1 8 4342 1 1 7 ASN HB2 H 5.291 7.945 -2.785 1.00 . A A . 7 ASN HB2 1 1 8 4343 1 1 7 ASN HB3 H 6.140 6.865 -3.872 1.00 . A A . 7 ASN HB3 1 1 8 4344 1 1 7 ASN HD21 H 7.736 7.263 -2.077 1.00 . A A . 7 ASN HD21 1 1 8 4345 1 1 7 ASN HD22 H 8.884 8.543 -2.288 1.00 . A A . 7 ASN HD22 1 1 8 4346 1 1 7 ASN N N 3.935 9.169 -4.423 1.00 . A A . 7 ASN N 1 1 8 4347 1 1 7 ASN ND2 N 8.011 8.116 -2.522 1.00 . A A . 7 ASN ND2 1 1 8 4348 1 1 7 ASN O O 4.776 6.199 -5.410 1.00 . A A . 7 ASN O 1 1 8 4349 1 1 7 ASN OD1 O 7.478 9.719 -4.013 1.00 . A A . 7 ASN OD1 1 1 8 4350 1 1 8 GLN C C 5.384 6.265 -8.801 1.00 . A A . 8 GLN C 1 1 8 4351 1 1 8 GLN CA C 4.137 6.749 -8.059 1.00 . A A . 8 GLN CA 1 1 8 4352 1 1 8 GLN CB C 3.106 7.320 -9.034 1.00 . A A . 8 GLN CB 1 1 8 4353 1 1 8 GLN CD C 1.487 6.762 -10.885 1.00 . A A . 8 GLN CD 1 1 8 4354 1 1 8 GLN CG C 2.361 6.199 -9.763 1.00 . A A . 8 GLN CG 1 1 8 4355 1 1 8 GLN H H 4.511 8.678 -7.368 1.00 . A A . 8 GLN H 1 1 8 4356 1 1 8 GLN HA H 3.689 5.921 -7.509 1.00 . A A . 8 GLN HA 1 1 8 4357 1 1 8 GLN HB2 H 2.393 7.942 -8.493 1.00 . A A . 8 GLN HB2 1 1 8 4358 1 1 8 GLN HB3 H 3.604 7.963 -9.760 1.00 . A A . 8 GLN HB3 1 1 8 4359 1 1 8 GLN HE21 H 2.921 6.221 -12.209 1.00 . A A . 8 GLN HE21 1 1 8 4360 1 1 8 GLN HE22 H 1.528 6.986 -12.898 1.00 . A A . 8 GLN HE22 1 1 8 4361 1 1 8 GLN HG2 H 3.078 5.490 -10.176 1.00 . A A . 8 GLN HG2 1 1 8 4362 1 1 8 GLN HG3 H 1.741 5.650 -9.055 1.00 . A A . 8 GLN HG3 1 1 8 4363 1 1 8 GLN N N 4.499 7.731 -7.051 1.00 . A A . 8 GLN N 1 1 8 4364 1 1 8 GLN NE2 N 2.022 6.647 -12.097 1.00 . A A . 8 GLN NE2 1 1 8 4365 1 1 8 GLN O O 5.388 5.174 -9.369 1.00 . A A . 8 GLN O 1 1 8 4366 1 1 8 GLN OE1 O 0.398 7.268 -10.666 1.00 . A A . 8 GLN OE1 1 1 8 4367 1 1 9 LEU C C 8.443 5.773 -8.574 1.00 . A A . 9 LEU C 1 1 8 4368 1 1 9 LEU CA C 7.663 6.770 -9.433 1.00 . A A . 9 LEU CA 1 1 8 4369 1 1 9 LEU CB C 8.446 8.042 -9.764 1.00 . A A . 9 LEU CB 1 1 8 4370 1 1 9 LEU CD1 C 10.699 8.929 -9.055 1.00 . A A . 9 LEU CD1 1 1 8 4371 1 1 9 LEU CD2 C 8.576 9.892 -8.055 1.00 . A A . 9 LEU CD2 1 1 8 4372 1 1 9 LEU CG C 9.261 8.645 -8.617 1.00 . A A . 9 LEU CG 1 1 8 4373 1 1 9 LEU H H 6.402 7.985 -8.306 1.00 . A A . 9 LEU H 1 1 8 4374 1 1 9 LEU HA H 7.415 6.290 -10.380 1.00 . A A . 9 LEU HA 1 1 8 4375 1 1 9 LEU HB2 H 9.124 7.824 -10.589 1.00 . A A . 9 LEU HB2 1 1 8 4376 1 1 9 LEU HB3 H 7.744 8.796 -10.118 1.00 . A A . 9 LEU HB3 1 1 8 4377 1 1 9 LEU HD11 H 10.751 9.918 -9.508 1.00 . A A . 9 LEU HD11 1 1 8 4378 1 1 9 LEU HD12 H 11.358 8.889 -8.188 1.00 . A A . 9 LEU HD12 1 1 8 4379 1 1 9 LEU HD13 H 11.011 8.179 -9.783 1.00 . A A . 9 LEU HD13 1 1 8 4380 1 1 9 LEU HD21 H 7.567 9.966 -8.459 1.00 . A A . 9 LEU HD21 1 1 8 4381 1 1 9 LEU HD22 H 8.529 9.822 -6.968 1.00 . A A . 9 LEU HD22 1 1 8 4382 1 1 9 LEU HD23 H 9.147 10.778 -8.337 1.00 . A A . 9 LEU HD23 1 1 8 4383 1 1 9 LEU HG H 9.309 7.913 -7.810 1.00 . A A . 9 LEU HG 1 1 8 4384 1 1 9 LEU N N 6.413 7.099 -8.771 1.00 . A A . 9 LEU N 1 1 8 4385 1 1 9 LEU O O 9.220 4.973 -9.095 1.00 . A A . 9 LEU O 1 1 8 4386 1 1 10 LYS C C 8.394 3.535 -6.557 1.00 . A A . 10 LYS C 1 1 8 4387 1 1 10 LYS CA C 8.881 4.967 -6.336 1.00 . A A . 10 LYS CA 1 1 8 4388 1 1 10 LYS CB C 8.697 5.466 -4.901 1.00 . A A . 10 LYS CB 1 1 8 4389 1 1 10 LYS CD C 9.822 4.933 -2.708 1.00 . A A . 10 LYS CD 1 1 8 4390 1 1 10 LYS CE C 11.155 4.517 -2.083 1.00 . A A . 10 LYS CE 1 1 8 4391 1 1 10 LYS CG C 10.023 5.441 -4.137 1.00 . A A . 10 LYS CG 1 1 8 4392 1 1 10 LYS H H 7.578 6.506 -6.856 1.00 . A A . 10 LYS H 1 1 8 4393 1 1 10 LYS HA H 9.949 5.008 -6.557 1.00 . A A . 10 LYS HA 1 1 8 4394 1 1 10 LYS HB2 H 8.299 6.481 -4.912 1.00 . A A . 10 LYS HB2 1 1 8 4395 1 1 10 LYS HB3 H 7.966 4.843 -4.387 1.00 . A A . 10 LYS HB3 1 1 8 4396 1 1 10 LYS HD2 H 9.360 5.712 -2.102 1.00 . A A . 10 LYS HD2 1 1 8 4397 1 1 10 LYS HD3 H 9.139 4.084 -2.713 1.00 . A A . 10 LYS HD3 1 1 8 4398 1 1 10 LYS HE2 H 11.980 4.969 -2.635 1.00 . A A . 10 LYS HE2 1 1 8 4399 1 1 10 LYS HE3 H 11.216 4.888 -1.060 1.00 . A A . 10 LYS HE3 1 1 8 4400 1 1 10 LYS HG2 H 10.735 4.801 -4.659 1.00 . A A . 10 LYS HG2 1 1 8 4401 1 1 10 LYS HG3 H 10.452 6.443 -4.114 1.00 . A A . 10 LYS HG3 1 1 8 4402 1 1 10 LYS HZ1 H 11.935 2.726 -2.809 1.00 . A A . 10 LYS HZ1 1 1 8 4403 1 1 10 LYS HZ2 H 11.645 2.690 -1.207 1.00 . A A . 10 LYS HZ2 1 1 8 4404 1 1 10 LYS N N 8.210 5.853 -7.273 1.00 . A A . 10 LYS N 1 1 8 4405 1 1 10 LYS NZ N 11.295 3.043 -2.090 1.00 . A A . 10 LYS NZ 1 1 8 4406 1 1 10 LYS O O 9.100 2.579 -6.237 1.00 . A A . 10 LYS O 1 1 8 4407 1 1 11 CYS C C 7.281 1.538 -8.605 1.00 . A A . 11 CYS C 1 1 8 4408 1 1 11 CYS CA C 6.601 2.130 -7.369 1.00 . A A . 11 CYS CA 1 1 8 4409 1 1 11 CYS CB C 5.083 2.221 -7.541 1.00 . A A . 11 CYS CB 1 1 8 4410 1 1 11 CYS H H 6.623 4.212 -7.359 1.00 . A A . 11 CYS H 1 1 8 4411 1 1 11 CYS HA H 6.791 1.513 -6.490 1.00 . A A . 11 CYS HA 1 1 8 4412 1 1 11 CYS HB2 H 4.866 2.887 -8.377 1.00 . A A . 11 CYS HB2 1 1 8 4413 1 1 11 CYS HB3 H 4.702 1.236 -7.811 1.00 . A A . 11 CYS HB3 1 1 8 4414 1 1 11 CYS N N 7.191 3.430 -7.101 1.00 . A A . 11 CYS N 1 1 8 4415 1 1 11 CYS O O 7.616 0.355 -8.627 1.00 . A A . 11 CYS O 1 1 8 4416 1 1 11 CYS SG S 4.177 2.817 -6.067 1.00 . A A . 11 CYS SG 1 1 8 4417 1 1 12 ASN C C 9.537 1.532 -10.549 1.00 . A A . 12 ASN C 1 1 8 4418 1 1 12 ASN CA C 8.099 1.964 -10.841 1.00 . A A . 12 ASN CA 1 1 8 4419 1 1 12 ASN CB C 8.147 3.108 -11.855 1.00 . A A . 12 ASN CB 1 1 8 4420 1 1 12 ASN CG C 9.044 2.752 -13.042 1.00 . A A . 12 ASN CG 1 1 8 4421 1 1 12 ASN H H 7.189 3.349 -9.578 1.00 . A A . 12 ASN H 1 1 8 4422 1 1 12 ASN HA H 7.483 1.146 -11.212 1.00 . A A . 12 ASN HA 1 1 8 4423 1 1 12 ASN HB2 H 7.139 3.328 -12.209 1.00 . A A . 12 ASN HB2 1 1 8 4424 1 1 12 ASN HB3 H 8.518 4.013 -11.372 1.00 . A A . 12 ASN HB3 1 1 8 4425 1 1 12 ASN HD21 H 9.018 4.702 -13.587 1.00 . A A . 12 ASN HD21 1 1 8 4426 1 1 12 ASN HD22 H 9.945 3.658 -14.613 1.00 . A A . 12 ASN HD22 1 1 8 4427 1 1 12 ASN N N 7.464 2.389 -9.604 1.00 . A A . 12 ASN N 1 1 8 4428 1 1 12 ASN ND2 N 9.362 3.790 -13.811 1.00 . A A . 12 ASN ND2 1 1 8 4429 1 1 12 ASN O O 9.936 0.421 -10.893 1.00 . A A . 12 ASN O 1 1 8 4430 1 1 12 ASN OD1 O 9.422 1.610 -13.246 1.00 . A A . 12 ASN OD1 1 1 8 4431 1 1 13 ASN C C 11.731 0.876 -8.741 1.00 . A A . 13 ASN C 1 1 8 4432 1 1 13 ASN CA C 11.661 2.156 -9.575 1.00 . A A . 13 ASN CA 1 1 8 4433 1 1 13 ASN CB C 12.260 3.294 -8.745 1.00 . A A . 13 ASN CB 1 1 8 4434 1 1 13 ASN CG C 11.886 4.657 -9.332 1.00 . A A . 13 ASN CG 1 1 8 4435 1 1 13 ASN H H 9.944 3.334 -9.640 1.00 . A A . 13 ASN H 1 1 8 4436 1 1 13 ASN HA H 12.178 2.062 -10.529 1.00 . A A . 13 ASN HA 1 1 8 4437 1 1 13 ASN HB2 H 11.902 3.227 -7.717 1.00 . A A . 13 ASN HB2 1 1 8 4438 1 1 13 ASN HB3 H 13.345 3.193 -8.712 1.00 . A A . 13 ASN HB3 1 1 8 4439 1 1 13 ASN HD21 H 11.859 5.407 -7.452 1.00 . A A . 13 ASN HD21 1 1 8 4440 1 1 13 ASN HD22 H 11.486 6.541 -8.707 1.00 . A A . 13 ASN HD22 1 1 8 4441 1 1 13 ASN N N 10.276 2.432 -9.916 1.00 . A A . 13 ASN N 1 1 8 4442 1 1 13 ASN ND2 N 11.732 5.614 -8.422 1.00 . A A . 13 ASN ND2 1 1 8 4443 1 1 13 ASN O O 12.602 0.035 -8.961 1.00 . A A . 13 ASN O 1 1 8 4444 1 1 13 ASN OD1 O 11.749 4.828 -10.533 1.00 . A A . 13 ASN OD1 1 1 8 4445 1 1 14 HIS C C 10.438 -1.642 -7.765 1.00 . A A . 14 HIS C 1 1 8 4446 1 1 14 HIS CA C 10.749 -0.396 -6.934 1.00 . A A . 14 HIS CA 1 1 8 4447 1 1 14 HIS CB C 9.751 -0.179 -5.795 1.00 . A A . 14 HIS CB 1 1 8 4448 1 1 14 HIS CD2 C 8.137 -2.208 -5.464 1.00 . A A . 14 HIS CD2 1 1 8 4449 1 1 14 HIS CE1 C 9.193 -3.181 -3.813 1.00 . A A . 14 HIS CE1 1 1 8 4450 1 1 14 HIS CG C 9.238 -1.458 -5.176 1.00 . A A . 14 HIS CG 1 1 8 4451 1 1 14 HIS H H 10.099 1.457 -7.629 1.00 . A A . 14 HIS H 1 1 8 4452 1 1 14 HIS HA H 11.739 -0.504 -6.491 1.00 . A A . 14 HIS HA 1 1 8 4453 1 1 14 HIS HB2 H 10.224 0.423 -5.020 1.00 . A A . 14 HIS HB2 1 1 8 4454 1 1 14 HIS HB3 H 8.904 0.395 -6.173 1.00 . A A . 14 HIS HB3 1 1 8 4455 1 1 14 HIS HD1 H 10.726 -1.789 -3.689 1.00 . A A . 14 HIS HD1 1 1 8 4456 1 1 14 HIS HD2 H 7.402 -1.990 -6.240 1.00 . A A . 14 HIS HD2 1 1 8 4457 1 1 14 HIS HE1 H 9.444 -3.893 -3.028 1.00 . A A . 14 HIS HE1 1 1 8 4458 1 1 14 HIS N N 10.803 0.767 -7.802 1.00 . A A . 14 HIS N 1 1 8 4459 1 1 14 HIS ND1 N 9.882 -2.096 -4.130 1.00 . A A . 14 HIS ND1 1 1 8 4460 1 1 14 HIS NE2 N 8.111 -3.249 -4.641 1.00 . A A . 14 HIS NE2 1 1 8 4461 1 1 14 HIS O O 10.875 -2.742 -7.430 1.00 . A A . 14 HIS O 1 1 8 4462 1 1 15 CYS C C 10.563 -2.994 -10.453 1.00 . A A . 15 CYS C 1 1 8 4463 1 1 15 CYS CA C 9.309 -2.520 -9.717 1.00 . A A . 15 CYS CA 1 1 8 4464 1 1 15 CYS CB C 8.199 -2.108 -10.686 1.00 . A A . 15 CYS CB 1 1 8 4465 1 1 15 CYS H H 9.333 -0.530 -9.100 1.00 . A A . 15 CYS H 1 1 8 4466 1 1 15 CYS HA H 8.910 -3.312 -9.083 1.00 . A A . 15 CYS HA 1 1 8 4467 1 1 15 CYS HB2 H 8.502 -1.193 -11.196 1.00 . A A . 15 CYS HB2 1 1 8 4468 1 1 15 CYS HB3 H 8.099 -2.880 -11.450 1.00 . A A . 15 CYS HB3 1 1 8 4469 1 1 15 CYS N N 9.685 -1.428 -8.834 1.00 . A A . 15 CYS N 1 1 8 4470 1 1 15 CYS O O 10.725 -4.187 -10.707 1.00 . A A . 15 CYS O 1 1 8 4471 1 1 15 CYS SG S 6.566 -1.834 -9.910 1.00 . A A . 15 CYS SG 1 1 8 4472 1 1 16 LYS C C 13.670 -2.918 -10.490 1.00 . A A . 16 LYS C 1 1 8 4473 1 1 16 LYS CA C 12.655 -2.341 -11.478 1.00 . A A . 16 LYS CA 1 1 8 4474 1 1 16 LYS CB C 13.161 -1.109 -12.232 1.00 . A A . 16 LYS CB 1 1 8 4475 1 1 16 LYS CD C 12.261 0.569 -13.885 1.00 . A A . 16 LYS CD 1 1 8 4476 1 1 16 LYS CE C 12.531 -0.428 -15.014 1.00 . A A . 16 LYS CE 1 1 8 4477 1 1 16 LYS CG C 12.010 -0.157 -12.561 1.00 . A A . 16 LYS CG 1 1 8 4478 1 1 16 LYS H H 11.281 -1.068 -10.566 1.00 . A A . 16 LYS H 1 1 8 4479 1 1 16 LYS HA H 12.426 -3.104 -12.224 1.00 . A A . 16 LYS HA 1 1 8 4480 1 1 16 LYS HB2 H 13.906 -0.590 -11.628 1.00 . A A . 16 LYS HB2 1 1 8 4481 1 1 16 LYS HB3 H 13.656 -1.420 -13.152 1.00 . A A . 16 LYS HB3 1 1 8 4482 1 1 16 LYS HD2 H 11.397 1.183 -14.137 1.00 . A A . 16 LYS HD2 1 1 8 4483 1 1 16 LYS HD3 H 13.111 1.243 -13.779 1.00 . A A . 16 LYS HD3 1 1 8 4484 1 1 16 LYS HE2 H 13.600 -0.470 -15.221 1.00 . A A . 16 LYS HE2 1 1 8 4485 1 1 16 LYS HE3 H 12.227 -1.427 -14.705 1.00 . A A . 16 LYS HE3 1 1 8 4486 1 1 16 LYS HG2 H 11.077 -0.716 -12.620 1.00 . A A . 16 LYS HG2 1 1 8 4487 1 1 16 LYS HG3 H 11.896 0.572 -11.759 1.00 . A A . 16 LYS HG3 1 1 8 4488 1 1 16 LYS HZ1 H 10.793 -0.087 -16.111 1.00 . A A . 16 LYS HZ1 1 1 8 4489 1 1 16 LYS HZ2 H 12.009 0.915 -16.520 1.00 . A A . 16 LYS HZ2 1 1 8 4490 1 1 16 LYS N N 11.420 -2.036 -10.776 1.00 . A A . 16 LYS N 1 1 8 4491 1 1 16 LYS NZ N 11.797 -0.035 -16.238 1.00 . A A . 16 LYS NZ 1 1 8 4492 1 1 16 LYS O O 14.608 -3.607 -10.889 1.00 . A A . 16 LYS O 1 1 8 4493 1 1 17 SER C C 13.978 -4.540 -7.809 1.00 . A A . 17 SER C 1 1 8 4494 1 1 17 SER CA C 14.331 -3.096 -8.170 1.00 . A A . 17 SER CA 1 1 8 4495 1 1 17 SER CB C 14.250 -2.203 -6.930 1.00 . A A . 17 SER CB 1 1 8 4496 1 1 17 SER H H 12.682 -2.055 -8.903 1.00 . A A . 17 SER H 1 1 8 4497 1 1 17 SER HA H 15.334 -3.041 -8.591 1.00 . A A . 17 SER HA 1 1 8 4498 1 1 17 SER HB2 H 13.215 -1.905 -6.766 1.00 . A A . 17 SER HB2 1 1 8 4499 1 1 17 SER HB3 H 14.561 -2.771 -6.054 1.00 . A A . 17 SER HB3 1 1 8 4500 1 1 17 SER HG H 15.989 -1.298 -7.335 1.00 . A A . 17 SER HG 1 1 8 4501 1 1 17 SER N N 13.448 -2.616 -9.220 1.00 . A A . 17 SER N 1 1 8 4502 1 1 17 SER O O 14.861 -5.344 -7.515 1.00 . A A . 17 SER O 1 1 8 4503 1 1 17 SER OG O 15.064 -1.040 -7.055 1.00 . A A . 17 SER OG 1 1 8 4504 1 1 18 ILE C C 12.461 -7.088 -8.709 1.00 . A A . 18 ILE C 1 1 8 4505 1 1 18 ILE CA C 12.204 -6.158 -7.521 1.00 . A A . 18 ILE CA 1 1 8 4506 1 1 18 ILE CB C 10.739 -6.109 -7.084 1.00 . A A . 18 ILE CB 1 1 8 4507 1 1 18 ILE CD1 C 8.401 -5.471 -7.785 1.00 . A A . 18 ILE CD1 1 1 8 4508 1 1 18 ILE CG1 C 9.828 -5.756 -8.262 1.00 . A A . 18 ILE CG1 1 1 8 4509 1 1 18 ILE CG2 C 10.550 -5.152 -5.907 1.00 . A A . 18 ILE CG2 1 1 8 4510 1 1 18 ILE H H 11.973 -4.166 -8.082 1.00 . A A . 18 ILE H 1 1 8 4511 1 1 18 ILE HA H 12.782 -6.518 -6.671 1.00 . A A . 18 ILE HA 1 1 8 4512 1 1 18 ILE HB H 10.451 -7.103 -6.741 1.00 . A A . 18 ILE HB 1 1 8 4513 1 1 18 ILE HD11 H 8.339 -4.446 -7.421 1.00 . A A . 18 ILE HD11 1 1 8 4514 1 1 18 ILE HD12 H 7.707 -5.605 -8.614 1.00 . A A . 18 ILE HD12 1 1 8 4515 1 1 18 ILE HD13 H 8.143 -6.159 -6.981 1.00 . A A . 18 ILE HD13 1 1 8 4516 1 1 18 ILE HG12 H 10.221 -4.883 -8.783 1.00 . A A . 18 ILE HG12 1 1 8 4517 1 1 18 ILE HG13 H 9.818 -6.578 -8.978 1.00 . A A . 18 ILE HG13 1 1 8 4518 1 1 18 ILE HG21 H 11.522 -4.790 -5.573 1.00 . A A . 18 ILE HG21 1 1 8 4519 1 1 18 ILE HG22 H 9.935 -4.307 -6.219 1.00 . A A . 18 ILE HG22 1 1 8 4520 1 1 18 ILE HG23 H 10.056 -5.675 -5.088 1.00 . A A . 18 ILE HG23 1 1 8 4521 1 1 18 ILE N N 12.685 -4.825 -7.842 1.00 . A A . 18 ILE N 1 1 8 4522 1 1 18 ILE O O 13.120 -8.116 -8.566 1.00 . A A . 18 ILE O 1 1 8 4523 1 1 19 SER C C 10.885 -7.271 -11.990 1.00 . A A . 19 SER C 1 1 8 4524 1 1 19 SER CA C 12.089 -7.477 -11.067 1.00 . A A . 19 SER CA 1 1 8 4525 1 1 19 SER CB C 12.260 -8.962 -10.743 1.00 . A A . 19 SER CB 1 1 8 4526 1 1 19 SER H H 11.390 -5.854 -9.963 1.00 . A A . 19 SER H 1 1 8 4527 1 1 19 SER HA H 12.998 -7.100 -11.535 1.00 . A A . 19 SER HA 1 1 8 4528 1 1 19 SER HB2 H 11.707 -9.202 -9.834 1.00 . A A . 19 SER HB2 1 1 8 4529 1 1 19 SER HB3 H 11.828 -9.560 -11.545 1.00 . A A . 19 SER HB3 1 1 8 4530 1 1 19 SER HG H 14.126 -8.564 -10.139 1.00 . A A . 19 SER HG 1 1 8 4531 1 1 19 SER N N 11.926 -6.692 -9.856 1.00 . A A . 19 SER N 1 1 8 4532 1 1 19 SER O O 10.128 -8.206 -12.246 1.00 . A A . 19 SER O 1 1 8 4533 1 1 19 SER OG O 13.629 -9.316 -10.572 1.00 . A A . 19 SER OG 1 1 8 4534 1 1 20 CYS C C 10.067 -4.491 -14.190 1.00 . A A . 20 CYS C 1 1 8 4535 1 1 20 CYS CA C 9.649 -5.700 -13.352 1.00 . A A . 20 CYS CA 1 1 8 4536 1 1 20 CYS CB C 8.355 -5.438 -12.577 1.00 . A A . 20 CYS CB 1 1 8 4537 1 1 20 CYS H H 11.367 -5.286 -12.250 1.00 . A A . 20 CYS H 1 1 8 4538 1 1 20 CYS HA H 9.478 -6.570 -13.985 1.00 . A A . 20 CYS HA 1 1 8 4539 1 1 20 CYS HB2 H 8.611 -5.043 -11.594 1.00 . A A . 20 CYS HB2 1 1 8 4540 1 1 20 CYS HB3 H 7.789 -4.664 -13.094 1.00 . A A . 20 CYS HB3 1 1 8 4541 1 1 20 CYS N N 10.747 -6.041 -12.462 1.00 . A A . 20 CYS N 1 1 8 4542 1 1 20 CYS O O 11.219 -4.064 -14.139 1.00 . A A . 20 CYS O 1 1 8 4543 1 1 20 CYS SG S 7.281 -6.903 -12.359 1.00 . A A . 20 CYS SG 1 1 8 4544 1 1 21 ARG C C 8.933 -1.535 -15.083 1.00 . A A . 21 ARG C 1 1 8 4545 1 1 21 ARG CA C 9.362 -2.821 -15.792 1.00 . A A . 21 ARG CA 1 1 8 4546 1 1 21 ARG CB C 8.612 -2.939 -17.119 1.00 . A A . 21 ARG CB 1 1 8 4547 1 1 21 ARG CD C 9.394 -3.475 -19.456 1.00 . A A . 21 ARG CD 1 1 8 4548 1 1 21 ARG CG C 9.256 -3.992 -18.022 1.00 . A A . 21 ARG CG 1 1 8 4549 1 1 21 ARG CZ C 11.270 -2.738 -20.935 1.00 . A A . 21 ARG CZ 1 1 8 4550 1 1 21 ARG H H 8.173 -4.326 -14.979 1.00 . A A . 21 ARG H 1 1 8 4551 1 1 21 ARG HA H 10.438 -2.834 -15.963 1.00 . A A . 21 ARG HA 1 1 8 4552 1 1 21 ARG HB2 H 7.571 -3.204 -16.931 1.00 . A A . 21 ARG HB2 1 1 8 4553 1 1 21 ARG HB3 H 8.607 -1.974 -17.626 1.00 . A A . 21 ARG HB3 1 1 8 4554 1 1 21 ARG HD2 H 8.910 -4.166 -20.148 1.00 . A A . 21 ARG HD2 1 1 8 4555 1 1 21 ARG HD3 H 8.886 -2.516 -19.556 1.00 . A A . 21 ARG HD3 1 1 8 4556 1 1 21 ARG HE H 11.504 -3.689 -19.167 1.00 . A A . 21 ARG HE 1 1 8 4557 1 1 21 ARG HG2 H 10.239 -4.258 -17.632 1.00 . A A . 21 ARG HG2 1 1 8 4558 1 1 21 ARG HG3 H 8.654 -4.900 -18.016 1.00 . A A . 21 ARG HG3 1 1 8 4559 1 1 21 ARG HH11 H 9.415 -2.295 -21.667 1.00 . A A . 21 ARG HH11 1 1 8 4560 1 1 21 ARG HH12 H 10.738 -1.797 -22.669 1.00 . A A . 21 ARG HH12 1 1 8 4561 1 1 21 ARG HH21 H 12.982 -2.241 -21.955 1.00 . A A . 21 ARG HH21 1 1 8 4562 1 1 21 ARG N N 9.108 -3.973 -14.943 1.00 . A A . 21 ARG N 1 1 8 4563 1 1 21 ARG NE N 10.825 -3.329 -19.806 1.00 . A A . 21 ARG NE 1 1 8 4564 1 1 21 ARG NH1 N 10.399 -2.233 -21.835 1.00 . A A . 21 ARG NH1 1 1 8 4565 1 1 21 ARG NH2 N 12.571 -2.661 -21.147 1.00 . A A . 21 ARG NH2 1 1 8 4566 1 1 21 ARG O O 9.760 -0.667 -14.807 1.00 . A A . 21 ARG O 1 1 8 4567 1 1 22 ALA C C 5.632 -0.558 -13.764 1.00 . A A . 22 ALA C 1 1 8 4568 1 1 22 ALA CA C 7.090 -0.286 -14.137 1.00 . A A . 22 ALA CA 1 1 8 4569 1 1 22 ALA CB C 7.241 0.941 -15.040 1.00 . A A . 22 ALA CB 1 1 8 4570 1 1 22 ALA H H 6.973 -2.161 -15.037 1.00 . A A . 22 ALA H 1 1 8 4571 1 1 22 ALA HA H 7.667 -0.125 -13.227 1.00 . A A . 22 ALA HA 1 1 8 4572 1 1 22 ALA HB1 H 6.713 1.785 -14.596 1.00 . A A . 22 ALA HB1 1 1 8 4573 1 1 22 ALA HB2 H 8.298 1.187 -15.144 1.00 . A A . 22 ALA HB2 1 1 8 4574 1 1 22 ALA HB3 H 6.820 0.725 -16.021 1.00 . A A . 22 ALA HB3 1 1 8 4575 1 1 22 ALA N N 7.639 -1.451 -14.809 1.00 . A A . 22 ALA N 1 1 8 4576 1 1 22 ALA O O 4.937 -1.298 -14.457 1.00 . A A . 22 ALA O 1 1 8 4577 1 1 23 GLY C C 3.220 1.239 -11.844 1.00 . A A . 23 GLY C 1 1 8 4578 1 1 23 GLY CA C 3.848 -0.111 -12.192 1.00 . A A . 23 GLY CA 1 1 8 4579 1 1 23 GLY H H 5.782 0.657 -12.108 1.00 . A A . 23 GLY H 1 1 8 4580 1 1 23 GLY HA2 H 3.251 -0.609 -12.957 1.00 . A A . 23 GLY HA2 1 1 8 4581 1 1 23 GLY HA3 H 3.841 -0.757 -11.314 1.00 . A A . 23 GLY HA3 1 1 8 4582 1 1 23 GLY N N 5.211 0.055 -12.667 1.00 . A A . 23 GLY N 1 1 8 4583 1 1 23 GLY O O 3.354 2.203 -12.596 1.00 . A A . 23 GLY O 1 1 8 4584 1 1 24 TYR C C 1.173 2.252 -8.918 1.00 . A A . 24 TYR C 1 1 8 4585 1 1 24 TYR CA C 1.895 2.482 -10.247 1.00 . A A . 24 TYR CA 1 1 8 4586 1 1 24 TYR CB C 0.864 2.838 -11.319 1.00 . A A . 24 TYR CB 1 1 8 4587 1 1 24 TYR CD1 C -1.012 1.275 -10.693 1.00 . A A . 24 TYR CD1 1 1 8 4588 1 1 24 TYR CD2 C -0.089 1.113 -12.892 1.00 . A A . 24 TYR CD2 1 1 8 4589 1 1 24 TYR CE1 C -1.930 0.207 -10.999 1.00 . A A . 24 TYR CE1 1 1 8 4590 1 1 24 TYR CE2 C -1.007 0.046 -13.198 1.00 . A A . 24 TYR CE2 1 1 8 4591 1 1 24 TYR CG C -0.110 1.705 -11.645 1.00 . A A . 24 TYR CG 1 1 8 4592 1 1 24 TYR CZ C -1.882 -0.354 -12.237 1.00 . A A . 24 TYR CZ 1 1 8 4593 1 1 24 TYR H H 2.440 0.477 -10.098 1.00 . A A . 24 TYR H 1 1 8 4594 1 1 24 TYR HA H 2.664 3.242 -10.107 1.00 . A A . 24 TYR HA 1 1 8 4595 1 1 24 TYR HB2 H 0.297 3.708 -10.989 1.00 . A A . 24 TYR HB2 1 1 8 4596 1 1 24 TYR HB3 H 1.388 3.126 -12.231 1.00 . A A . 24 TYR HB3 1 1 8 4597 1 1 24 TYR HD1 H -1.030 1.742 -9.708 1.00 . A A . 24 TYR HD1 1 1 8 4598 1 1 24 TYR HD2 H 0.622 1.452 -13.644 1.00 . A A . 24 TYR HD2 1 1 8 4599 1 1 24 TYR HE1 H -2.646 -0.141 -10.256 1.00 . A A . 24 TYR HE1 1 1 8 4600 1 1 24 TYR HE2 H -1.000 -0.430 -14.179 1.00 . A A . 24 TYR HE2 1 1 8 4601 1 1 24 TYR HH H -3.572 -1.276 -11.966 1.00 . A A . 24 TYR HH 1 1 8 4602 1 1 24 TYR N N 2.546 1.266 -10.703 1.00 . A A . 24 TYR N 1 1 8 4603 1 1 24 TYR O O 1.369 1.225 -8.271 1.00 . A A . 24 TYR O 1 1 8 4604 1 1 24 TYR OH O -2.748 -1.361 -12.526 1.00 . A A . 24 TYR OH 1 1 8 4605 1 1 25 CYS C C -1.874 2.924 -7.657 1.00 . A A . 25 CYS C 1 1 8 4606 1 1 25 CYS CA C -0.400 3.142 -7.311 1.00 . A A . 25 CYS CA 1 1 8 4607 1 1 25 CYS CB C -0.197 4.384 -6.441 1.00 . A A . 25 CYS CB 1 1 8 4608 1 1 25 CYS H H 0.199 4.058 -9.083 1.00 . A A . 25 CYS H 1 1 8 4609 1 1 25 CYS HA H -0.002 2.291 -6.759 1.00 . A A . 25 CYS HA 1 1 8 4610 1 1 25 CYS HB2 H -0.737 5.218 -6.889 1.00 . A A . 25 CYS HB2 1 1 8 4611 1 1 25 CYS HB3 H -0.644 4.204 -5.464 1.00 . A A . 25 CYS HB3 1 1 8 4612 1 1 25 CYS N N 0.352 3.226 -8.550 1.00 . A A . 25 CYS N 1 1 8 4613 1 1 25 CYS O O -2.465 3.710 -8.396 1.00 . A A . 25 CYS O 1 1 8 4614 1 1 25 CYS SG S 1.549 4.877 -6.203 1.00 . A A . 25 CYS SG 1 1 8 4615 1 1 26 ASP C C -4.646 2.807 -7.388 1.00 . A A . 26 ASP C 1 1 8 4616 1 1 26 ASP CA C -3.820 1.520 -7.349 1.00 . A A . 26 ASP CA 1 1 8 4617 1 1 26 ASP CB C -4.377 0.634 -6.233 1.00 . A A . 26 ASP CB 1 1 8 4618 1 1 26 ASP CG C -4.868 -0.743 -6.685 1.00 . A A . 26 ASP CG 1 1 8 4619 1 1 26 ASP H H -1.938 1.218 -6.507 1.00 . A A . 26 ASP H 1 1 8 4620 1 1 26 ASP HA H -3.826 0.990 -8.302 1.00 . A A . 26 ASP HA 1 1 8 4621 1 1 26 ASP HB2 H -3.602 0.497 -5.478 1.00 . A A . 26 ASP HB2 1 1 8 4622 1 1 26 ASP HB3 H -5.201 1.158 -5.751 1.00 . A A . 26 ASP HB3 1 1 8 4623 1 1 26 ASP HD2 H -3.185 -1.499 -6.308 1.00 . A A . 26 ASP HD2 1 1 8 4624 1 1 26 ASP N N -2.426 1.852 -7.107 1.00 . A A . 26 ASP N 1 1 8 4625 1 1 26 ASP O O -5.036 3.330 -6.345 1.00 . A A . 26 ASP O 1 1 8 4626 1 1 26 ASP OD1 O -6.079 -0.993 -6.769 1.00 . A A . 26 ASP OD1 1 1 8 4627 1 1 26 ASP OD2 O -3.936 -1.591 -6.961 1.00 . A A . 26 ASP OD2 1 1 8 4628 1 1 27 ALA C C -7.124 4.227 -8.417 1.00 . A A . 27 ALA C 1 1 8 4629 1 1 27 ALA CA C -5.664 4.495 -8.790 1.00 . A A . 27 ALA CA 1 1 8 4630 1 1 27 ALA CB C -5.509 4.979 -10.233 1.00 . A A . 27 ALA CB 1 1 8 4631 1 1 27 ALA H H -4.569 2.847 -9.444 1.00 . A A . 27 ALA H 1 1 8 4632 1 1 27 ALA HA H -5.259 5.253 -8.119 1.00 . A A . 27 ALA HA 1 1 8 4633 1 1 27 ALA HB1 H -6.374 5.583 -10.507 1.00 . A A . 27 ALA HB1 1 1 8 4634 1 1 27 ALA HB2 H -4.604 5.581 -10.319 1.00 . A A . 27 ALA HB2 1 1 8 4635 1 1 27 ALA HB3 H -5.440 4.120 -10.900 1.00 . A A . 27 ALA HB3 1 1 8 4636 1 1 27 ALA N N -4.890 3.279 -8.602 1.00 . A A . 27 ALA N 1 1 8 4637 1 1 27 ALA O O -7.944 5.145 -8.409 1.00 . A A . 27 ALA O 1 1 8 4638 1 1 28 ALA C C -8.821 2.381 -6.229 1.00 . A A . 28 ALA C 1 1 8 4639 1 1 28 ALA CA C -8.750 2.569 -7.746 1.00 . A A . 28 ALA CA 1 1 8 4640 1 1 28 ALA CB C -9.136 1.299 -8.509 1.00 . A A . 28 ALA CB 1 1 8 4641 1 1 28 ALA H H -6.731 2.228 -8.128 1.00 . A A . 28 ALA H 1 1 8 4642 1 1 28 ALA HA H -9.426 3.373 -8.036 1.00 . A A . 28 ALA HA 1 1 8 4643 1 1 28 ALA HB1 H -8.593 0.449 -8.098 1.00 . A A . 28 ALA HB1 1 1 8 4644 1 1 28 ALA HB2 H -10.208 1.129 -8.410 1.00 . A A . 28 ALA HB2 1 1 8 4645 1 1 28 ALA HB3 H -8.884 1.419 -9.563 1.00 . A A . 28 ALA HB3 1 1 8 4646 1 1 28 ALA N N -7.403 2.968 -8.118 1.00 . A A . 28 ALA N 1 1 8 4647 1 1 28 ALA O O -9.860 1.996 -5.696 1.00 . A A . 28 ALA O 1 1 8 4648 1 1 29 THR C C -7.121 3.829 -3.504 1.00 . A A . 29 THR C 1 1 8 4649 1 1 29 THR CA C -7.623 2.529 -4.132 1.00 . A A . 29 THR CA 1 1 8 4650 1 1 29 THR CB C -6.740 1.320 -3.816 1.00 . A A . 29 THR CB 1 1 8 4651 1 1 29 THR CG2 C -5.317 1.722 -3.425 1.00 . A A . 29 THR CG2 1 1 8 4652 1 1 29 THR H H -6.861 2.974 -6.019 1.00 . A A . 29 THR H 1 1 8 4653 1 1 29 THR HA H -8.628 2.355 -3.749 1.00 . A A . 29 THR HA 1 1 8 4654 1 1 29 THR HB H -6.731 0.616 -4.648 1.00 . A A . 29 THR HB 1 1 8 4655 1 1 29 THR HG1 H -6.927 -0.124 -2.443 1.00 . A A . 29 THR HG1 1 1 8 4656 1 1 29 THR HG21 H -5.087 2.700 -3.846 1.00 . A A . 29 THR HG21 1 1 8 4657 1 1 29 THR HG22 H -5.237 1.766 -2.338 1.00 . A A . 29 THR HG22 1 1 8 4658 1 1 29 THR HG23 H -4.612 0.985 -3.810 1.00 . A A . 29 THR HG23 1 1 8 4659 1 1 29 THR N N -7.702 2.662 -5.578 1.00 . A A . 29 THR N 1 1 8 4660 1 1 29 THR O O -6.487 3.809 -2.450 1.00 . A A . 29 THR O 1 1 8 4661 1 1 29 THR OG1 O -7.294 0.790 -2.615 1.00 . A A . 29 THR OG1 1 1 8 4662 1 1 30 LEU C C -5.485 6.331 -3.734 1.00 . A A . 30 LEU C 1 1 8 4663 1 1 30 LEU CA C -7.012 6.238 -3.696 1.00 . A A . 30 LEU CA 1 1 8 4664 1 1 30 LEU CB C -7.611 6.516 -2.317 1.00 . A A . 30 LEU CB 1 1 8 4665 1 1 30 LEU CD1 C -9.461 6.171 -0.639 1.00 . A A . 30 LEU CD1 1 1 8 4666 1 1 30 LEU CD2 C -10.010 6.842 -3.023 1.00 . A A . 30 LEU CD2 1 1 8 4667 1 1 30 LEU CG C -9.058 6.065 -2.111 1.00 . A A . 30 LEU CG 1 1 8 4668 1 1 30 LEU H H -7.942 4.938 -5.032 1.00 . A A . 30 LEU H 1 1 8 4669 1 1 30 LEU HA H -7.421 6.981 -4.381 1.00 . A A . 30 LEU HA 1 1 8 4670 1 1 30 LEU HB2 H -6.989 6.027 -1.566 1.00 . A A . 30 LEU HB2 1 1 8 4671 1 1 30 LEU HB3 H -7.555 7.588 -2.127 1.00 . A A . 30 LEU HB3 1 1 8 4672 1 1 30 LEU HD11 H -10.440 5.710 -0.496 1.00 . A A . 30 LEU HD11 1 1 8 4673 1 1 30 LEU HD12 H -8.725 5.657 -0.022 1.00 . A A . 30 LEU HD12 1 1 8 4674 1 1 30 LEU HD13 H -9.509 7.220 -0.349 1.00 . A A . 30 LEU HD13 1 1 8 4675 1 1 30 LEU HD21 H -10.548 7.587 -2.436 1.00 . A A . 30 LEU HD21 1 1 8 4676 1 1 30 LEU HD22 H -9.438 7.339 -3.806 1.00 . A A . 30 LEU HD22 1 1 8 4677 1 1 30 LEU HD23 H -10.723 6.153 -3.476 1.00 . A A . 30 LEU HD23 1 1 8 4678 1 1 30 LEU HG H -9.132 5.013 -2.389 1.00 . A A . 30 LEU HG 1 1 8 4679 1 1 30 LEU N N -7.425 4.930 -4.176 1.00 . A A . 30 LEU N 1 1 8 4680 1 1 30 LEU O O -4.884 7.057 -2.942 1.00 . A A . 30 LEU O 1 1 8 4681 1 1 31 TRP C C -2.839 5.307 -3.438 1.00 . A A . 31 TRP C 1 1 8 4682 1 1 31 TRP CA C -3.455 5.577 -4.812 1.00 . A A . 31 TRP CA 1 1 8 4683 1 1 31 TRP CB C -2.961 6.880 -5.443 1.00 . A A . 31 TRP CB 1 1 8 4684 1 1 31 TRP CD1 C -2.566 6.911 -7.993 1.00 . A A . 31 TRP CD1 1 1 8 4685 1 1 31 TRP CD2 C -4.654 7.387 -7.426 1.00 . A A . 31 TRP CD2 1 1 8 4686 1 1 31 TRP CE2 C -4.578 7.436 -8.804 1.00 . A A . 31 TRP CE2 1 1 8 4687 1 1 31 TRP CE3 C -5.859 7.644 -6.750 1.00 . A A . 31 TRP CE3 1 1 8 4688 1 1 31 TRP CG C -3.349 7.047 -6.914 1.00 . A A . 31 TRP CG 1 1 8 4689 1 1 31 TRP CH2 C -6.884 8.000 -8.967 1.00 . A A . 31 TRP CH2 1 1 8 4690 1 1 31 TRP CZ2 C -5.674 7.740 -9.621 1.00 . A A . 31 TRP CZ2 1 1 8 4691 1 1 31 TRP CZ3 C -6.944 7.946 -7.580 1.00 . A A . 31 TRP CZ3 1 1 8 4692 1 1 31 TRP H H -5.396 5.000 -5.301 1.00 . A A . 31 TRP H 1 1 8 4693 1 1 31 TRP HA H -3.199 4.774 -5.501 1.00 . A A . 31 TRP HA 1 1 8 4694 1 1 31 TRP HB2 H -3.361 7.721 -4.876 1.00 . A A . 31 TRP HB2 1 1 8 4695 1 1 31 TRP HB3 H -1.876 6.925 -5.356 1.00 . A A . 31 TRP HB3 1 1 8 4696 1 1 31 TRP HD1 H -1.507 6.653 -7.955 1.00 . A A . 31 TRP HD1 1 1 8 4697 1 1 31 TRP HE1 H -2.869 7.090 -10.173 1.00 . A A . 31 TRP HE1 1 1 8 4698 1 1 31 TRP HE3 H -5.943 7.611 -5.663 1.00 . A A . 31 TRP HE3 1 1 8 4699 1 1 31 TRP HH2 H -7.777 8.243 -9.545 1.00 . A A . 31 TRP HH2 1 1 8 4700 1 1 31 TRP HZ2 H -5.589 7.773 -10.707 1.00 . A A . 31 TRP HZ2 1 1 8 4701 1 1 31 TRP HZ3 H -7.902 8.154 -7.105 1.00 . A A . 31 TRP HZ3 1 1 8 4702 1 1 31 TRP N N -4.901 5.588 -4.661 1.00 . A A . 31 TRP N 1 1 8 4703 1 1 31 TRP NE1 N -3.268 7.137 -9.159 1.00 . A A . 31 TRP NE1 1 1 8 4704 1 1 31 TRP O O -2.590 6.236 -2.672 1.00 . A A . 31 TRP O 1 1 8 4705 1 1 32 LEU C C -1.072 2.453 -2.135 1.00 . A A . 32 LEU C 1 1 8 4706 1 1 32 LEU CA C -2.027 3.625 -1.902 1.00 . A A . 32 LEU CA 1 1 8 4707 1 1 32 LEU CB C -3.124 3.329 -0.878 1.00 . A A . 32 LEU CB 1 1 8 4708 1 1 32 LEU CD1 C -4.758 4.120 0.874 1.00 . A A . 32 LEU CD1 1 1 8 4709 1 1 32 LEU CD2 C -2.692 5.493 0.342 1.00 . A A . 32 LEU CD2 1 1 8 4710 1 1 32 LEU CG C -3.762 4.547 -0.207 1.00 . A A . 32 LEU CG 1 1 8 4711 1 1 32 LEU H H -2.815 3.280 -3.799 1.00 . A A . 32 LEU H 1 1 8 4712 1 1 32 LEU HA H -1.451 4.469 -1.522 1.00 . A A . 32 LEU HA 1 1 8 4713 1 1 32 LEU HB2 H -3.910 2.758 -1.371 1.00 . A A . 32 LEU HB2 1 1 8 4714 1 1 32 LEU HB3 H -2.705 2.689 -0.101 1.00 . A A . 32 LEU HB3 1 1 8 4715 1 1 32 LEU HD11 H -5.419 3.351 0.474 1.00 . A A . 32 LEU HD11 1 1 8 4716 1 1 32 LEU HD12 H -4.215 3.722 1.732 1.00 . A A . 32 LEU HD12 1 1 8 4717 1 1 32 LEU HD13 H -5.348 4.982 1.185 1.00 . A A . 32 LEU HD13 1 1 8 4718 1 1 32 LEU HD21 H -3.160 6.239 0.984 1.00 . A A . 32 LEU HD21 1 1 8 4719 1 1 32 LEU HD22 H -1.965 4.923 0.920 1.00 . A A . 32 LEU HD22 1 1 8 4720 1 1 32 LEU HD23 H -2.187 5.991 -0.486 1.00 . A A . 32 LEU HD23 1 1 8 4721 1 1 32 LEU HG H -4.322 5.099 -0.961 1.00 . A A . 32 LEU HG 1 1 8 4722 1 1 32 LEU N N -2.610 4.029 -3.170 1.00 . A A . 32 LEU N 1 1 8 4723 1 1 32 LEU O O 0.065 2.470 -1.666 1.00 . A A . 32 LEU O 1 1 8 4724 1 1 33 ARG C C 0.316 0.625 -4.182 1.00 . A A . 33 ARG C 1 1 8 4725 1 1 33 ARG CA C -0.774 0.284 -3.164 1.00 . A A . 33 ARG CA 1 1 8 4726 1 1 33 ARG CB C -1.647 -0.842 -3.721 1.00 . A A . 33 ARG CB 1 1 8 4727 1 1 33 ARG CD C -2.541 -3.151 -3.245 1.00 . A A . 33 ARG CD 1 1 8 4728 1 1 33 ARG CG C -1.438 -2.138 -2.934 1.00 . A A . 33 ARG CG 1 1 8 4729 1 1 33 ARG CZ C -2.694 -5.363 -4.401 1.00 . A A . 33 ARG CZ 1 1 8 4730 1 1 33 ARG H H -2.494 1.455 -3.240 1.00 . A A . 33 ARG H 1 1 8 4731 1 1 33 ARG HA H -0.340 -0.011 -2.209 1.00 . A A . 33 ARG HA 1 1 8 4732 1 1 33 ARG HB2 H -2.696 -0.550 -3.675 1.00 . A A . 33 ARG HB2 1 1 8 4733 1 1 33 ARG HB3 H -1.407 -1.007 -4.771 1.00 . A A . 33 ARG HB3 1 1 8 4734 1 1 33 ARG HD2 H -3.051 -3.440 -2.326 1.00 . A A . 33 ARG HD2 1 1 8 4735 1 1 33 ARG HD3 H -3.290 -2.699 -3.895 1.00 . A A . 33 ARG HD3 1 1 8 4736 1 1 33 ARG HE H -0.966 -4.403 -3.971 1.00 . A A . 33 ARG HE 1 1 8 4737 1 1 33 ARG HG2 H -0.466 -2.565 -3.181 1.00 . A A . 33 ARG HG2 1 1 8 4738 1 1 33 ARG HG3 H -1.429 -1.921 -1.866 1.00 . A A . 33 ARG HG3 1 1 8 4739 1 1 33 ARG HH11 H -4.505 -4.563 -3.903 1.00 . A A . 33 ARG HH11 1 1 8 4740 1 1 33 ARG HH12 H -4.575 -6.096 -4.706 1.00 . A A . 33 ARG HH12 1 1 8 4741 1 1 33 ARG HH21 H -2.537 -7.172 -5.360 1.00 . A A . 33 ARG HH21 1 1 8 4742 1 1 33 ARG N N -1.568 1.462 -2.862 1.00 . A A . 33 ARG N 1 1 8 4743 1 1 33 ARG NE N -1.962 -4.346 -3.899 1.00 . A A . 33 ARG NE 1 1 8 4744 1 1 33 ARG NH1 N -4.041 -5.338 -4.331 1.00 . A A . 33 ARG NH1 1 1 8 4745 1 1 33 ARG NH2 N -2.070 -6.382 -4.965 1.00 . A A . 33 ARG NH2 1 1 8 4746 1 1 33 ARG O O 0.375 1.748 -4.681 1.00 . A A . 33 ARG O 1 1 8 4747 1 1 34 CYS C C 2.305 -1.422 -6.304 1.00 . A A . 34 CYS C 1 1 8 4748 1 1 34 CYS CA C 2.237 -0.182 -5.410 1.00 . A A . 34 CYS CA 1 1 8 4749 1 1 34 CYS CB C 3.568 0.087 -4.705 1.00 . A A . 34 CYS CB 1 1 8 4750 1 1 34 CYS H H 1.098 -1.274 -4.050 1.00 . A A . 34 CYS H 1 1 8 4751 1 1 34 CYS HA H 1.995 0.706 -5.995 1.00 . A A . 34 CYS HA 1 1 8 4752 1 1 34 CYS HB2 H 3.515 -0.316 -3.693 1.00 . A A . 34 CYS HB2 1 1 8 4753 1 1 34 CYS HB3 H 4.355 -0.458 -5.224 1.00 . A A . 34 CYS HB3 1 1 8 4754 1 1 34 CYS N N 1.152 -0.364 -4.460 1.00 . A A . 34 CYS N 1 1 8 4755 1 1 34 CYS O O 3.062 -2.351 -6.026 1.00 . A A . 34 CYS O 1 1 8 4756 1 1 34 CYS SG S 4.042 1.852 -4.607 1.00 . A A . 34 CYS SG 1 1 8 4757 1 1 35 THR C C 2.652 -2.432 -9.260 1.00 . A A . 35 THR C 1 1 8 4758 1 1 35 THR CA C 1.467 -2.505 -8.297 1.00 . A A . 35 THR CA 1 1 8 4759 1 1 35 THR CB C 0.109 -2.480 -9.002 1.00 . A A . 35 THR CB 1 1 8 4760 1 1 35 THR CG2 C 0.237 -2.263 -10.511 1.00 . A A . 35 THR CG2 1 1 8 4761 1 1 35 THR H H 0.895 -0.635 -7.579 1.00 . A A . 35 THR H 1 1 8 4762 1 1 35 THR HA H 1.567 -3.433 -7.734 1.00 . A A . 35 THR HA 1 1 8 4763 1 1 35 THR HB H -0.548 -1.734 -8.556 1.00 . A A . 35 THR HB 1 1 8 4764 1 1 35 THR HG1 H -1.346 -3.852 -9.093 1.00 . A A . 35 THR HG1 1 1 8 4765 1 1 35 THR HG21 H -0.747 -2.336 -10.974 1.00 . A A . 35 THR HG21 1 1 8 4766 1 1 35 THR HG22 H 0.655 -1.275 -10.702 1.00 . A A . 35 THR HG22 1 1 8 4767 1 1 35 THR HG23 H 0.894 -3.024 -10.933 1.00 . A A . 35 THR HG23 1 1 8 4768 1 1 35 THR N N 1.506 -1.395 -7.360 1.00 . A A . 35 THR N 1 1 8 4769 1 1 35 THR O O 3.274 -1.381 -9.408 1.00 . A A . 35 THR O 1 1 8 4770 1 1 35 THR OG1 O -0.369 -3.817 -8.883 1.00 . A A . 35 THR OG1 1 1 8 4771 1 1 36 CYS C C 3.512 -4.269 -12.129 1.00 . A A . 36 CYS C 1 1 8 4772 1 1 36 CYS CA C 4.033 -3.642 -10.834 1.00 . A A . 36 CYS CA 1 1 8 4773 1 1 36 CYS CB C 5.218 -4.422 -10.260 1.00 . A A . 36 CYS CB 1 1 8 4774 1 1 36 CYS H H 2.422 -4.415 -9.764 1.00 . A A . 36 CYS H 1 1 8 4775 1 1 36 CYS HA H 4.370 -2.620 -11.009 1.00 . A A . 36 CYS HA 1 1 8 4776 1 1 36 CYS HB2 H 4.858 -5.382 -9.891 1.00 . A A . 36 CYS HB2 1 1 8 4777 1 1 36 CYS HB3 H 5.921 -4.634 -11.066 1.00 . A A . 36 CYS HB3 1 1 8 4778 1 1 36 CYS N N 2.933 -3.564 -9.890 1.00 . A A . 36 CYS N 1 1 8 4779 1 1 36 CYS O O 3.050 -5.409 -12.129 1.00 . A A . 36 CYS O 1 1 8 4780 1 1 36 CYS SG S 6.113 -3.571 -8.909 1.00 . A A . 36 CYS SG 1 1 8 4781 1 1 37 THR C C 4.332 -4.146 -15.448 1.00 . A A . 37 THR C 1 1 8 4782 1 1 37 THR CA C 3.145 -3.963 -14.500 1.00 . A A . 37 THR CA 1 1 8 4783 1 1 37 THR CB C 2.102 -2.971 -15.018 1.00 . A A . 37 THR CB 1 1 8 4784 1 1 37 THR CG2 C 1.232 -2.397 -13.897 1.00 . A A . 37 THR CG2 1 1 8 4785 1 1 37 THR H H 3.979 -2.571 -13.194 1.00 . A A . 37 THR H 1 1 8 4786 1 1 37 THR HA H 2.685 -4.941 -14.372 1.00 . A A . 37 THR HA 1 1 8 4787 1 1 37 THR HB H 1.486 -3.424 -15.795 1.00 . A A . 37 THR HB 1 1 8 4788 1 1 37 THR HG1 H 3.445 -1.518 -14.719 1.00 . A A . 37 THR HG1 1 1 8 4789 1 1 37 THR HG21 H 0.621 -1.585 -14.290 1.00 . A A . 37 THR HG21 1 1 8 4790 1 1 37 THR HG22 H 0.585 -3.181 -13.501 1.00 . A A . 37 THR HG22 1 1 8 4791 1 1 37 THR HG23 H 1.872 -2.018 -13.100 1.00 . A A . 37 THR HG23 1 1 8 4792 1 1 37 THR N N 3.603 -3.496 -13.202 1.00 . A A . 37 THR N 1 1 8 4793 1 1 37 THR O O 5.346 -3.462 -15.320 1.00 . A A . 37 THR O 1 1 8 4794 1 1 37 THR OG1 O 2.872 -1.857 -15.464 1.00 . A A . 37 THR OG1 1 1 8 4795 1 1 38 ASP C C 6.471 -5.812 -16.617 1.00 . A A . 38 ASP C 1 1 8 4796 1 1 38 ASP CA C 5.211 -5.354 -17.351 1.00 . A A . 38 ASP CA 1 1 8 4797 1 1 38 ASP CB C 5.561 -4.104 -18.161 1.00 . A A . 38 ASP CB 1 1 8 4798 1 1 38 ASP CG C 4.644 -3.828 -19.353 1.00 . A A . 38 ASP CG 1 1 8 4799 1 1 38 ASP H H 3.338 -5.624 -16.479 1.00 . A A . 38 ASP H 1 1 8 4800 1 1 38 ASP HA H 4.798 -6.130 -17.997 1.00 . A A . 38 ASP HA 1 1 8 4801 1 1 38 ASP HB2 H 5.539 -3.241 -17.496 1.00 . A A . 38 ASP HB2 1 1 8 4802 1 1 38 ASP HB3 H 6.585 -4.201 -18.524 1.00 . A A . 38 ASP HB3 1 1 8 4803 1 1 38 ASP HD2 H 5.763 -2.400 -19.859 1.00 . A A . 38 ASP HD2 1 1 8 4804 1 1 38 ASP N N 4.165 -5.072 -16.381 1.00 . A A . 38 ASP N 1 1 8 4805 1 1 38 ASP O O 7.066 -5.046 -15.859 1.00 . A A . 38 ASP O 1 1 8 4806 1 1 38 ASP OD1 O 3.820 -4.672 -19.735 1.00 . A A . 38 ASP OD1 1 1 8 4807 1 1 38 ASP OD2 O 4.802 -2.673 -19.907 1.00 . A A . 38 ASP OD2 1 1 8 4808 1 1 39 CYS C C 8.786 -8.436 -17.292 1.00 . A A . 39 CYS C 1 1 8 4809 1 1 39 CYS CA C 8.025 -7.627 -16.240 1.00 . A A . 39 CYS CA 1 1 8 4810 1 1 39 CYS CB C 7.664 -8.475 -15.019 1.00 . A A . 39 CYS CB 1 1 8 4811 1 1 39 CYS H H 6.356 -7.674 -17.486 1.00 . A A . 39 CYS H 1 1 8 4812 1 1 39 CYS HA H 8.626 -6.789 -15.887 1.00 . A A . 39 CYS HA 1 1 8 4813 1 1 39 CYS HB2 H 7.186 -9.393 -15.360 1.00 . A A . 39 CYS HB2 1 1 8 4814 1 1 39 CYS HB3 H 8.583 -8.764 -14.510 1.00 . A A . 39 CYS HB3 1 1 8 4815 1 1 39 CYS N N 6.845 -7.058 -16.868 1.00 . A A . 39 CYS N 1 1 8 4816 1 1 39 CYS O O 8.180 -9.013 -18.194 1.00 . A A . 39 CYS O 1 1 8 4817 1 1 39 CYS SG S 6.559 -7.653 -13.814 1.00 . A A . 39 CYS SG 1 1 8 4818 1 1 40 ASN C C 11.232 -10.579 -17.504 1.00 . A A . 40 ASN C 1 1 8 4819 1 1 40 ASN CA C 10.952 -9.183 -18.067 1.00 . A A . 40 ASN CA 1 1 8 4820 1 1 40 ASN CB C 12.293 -8.474 -18.259 1.00 . A A . 40 ASN CB 1 1 8 4821 1 1 40 ASN CG C 12.275 -7.596 -19.513 1.00 . A A . 40 ASN CG 1 1 8 4822 1 1 40 ASN H H 10.587 -7.983 -16.404 1.00 . A A . 40 ASN H 1 1 8 4823 1 1 40 ASN HA H 10.394 -9.215 -19.003 1.00 . A A . 40 ASN HA 1 1 8 4824 1 1 40 ASN HB2 H 12.514 -7.861 -17.385 1.00 . A A . 40 ASN HB2 1 1 8 4825 1 1 40 ASN HB3 H 13.091 -9.212 -18.340 1.00 . A A . 40 ASN HB3 1 1 8 4826 1 1 40 ASN HD21 H 14.191 -8.142 -19.867 1.00 . A A . 40 ASN HD21 1 1 8 4827 1 1 40 ASN HD22 H 13.505 -7.054 -21.027 1.00 . A A . 40 ASN HD22 1 1 8 4828 1 1 40 ASN N N 10.103 -8.454 -17.142 1.00 . A A . 40 ASN N 1 1 8 4829 1 1 40 ASN ND2 N 13.418 -7.598 -20.192 1.00 . A A . 40 ASN ND2 1 1 8 4830 1 1 40 ASN O O 12.328 -10.845 -17.014 1.00 . A A . 40 ASN O 1 1 8 4831 1 1 40 ASN OD1 O 11.288 -6.958 -19.841 1.00 . A A . 40 ASN OD1 1 1 8 4832 1 1 41 GLY C C 8.998 -13.515 -17.142 1.00 . A A . 41 GLY C 1 1 8 4833 1 1 41 GLY CA C 10.346 -12.793 -17.102 1.00 . A A . 41 GLY CA 1 1 8 4834 1 1 41 GLY H H 9.334 -11.206 -17.995 1.00 . A A . 41 GLY H 1 1 8 4835 1 1 41 GLY HA2 H 11.073 -13.337 -17.705 1.00 . A A . 41 GLY HA2 1 1 8 4836 1 1 41 GLY HA3 H 10.725 -12.780 -16.080 1.00 . A A . 41 GLY HA3 1 1 8 4837 1 1 41 GLY N N 10.223 -11.432 -17.595 1.00 . A A . 41 GLY N 1 1 8 4838 1 1 41 GLY O O 8.570 -14.093 -16.144 1.00 . A A . 41 GLY O 1 1 8 4839 1 1 42 LYS C C 6.836 -14.333 -19.981 1.00 . A A . 42 LYS C 1 1 8 4840 1 1 42 LYS CA C 7.075 -14.100 -18.488 1.00 . A A . 42 LYS CA 1 1 8 4841 1 1 42 LYS CB C 5.972 -13.288 -17.808 1.00 . A A . 42 LYS CB 1 1 8 4842 1 1 42 LYS CD C 4.484 -11.904 -19.301 1.00 . A A . 42 LYS CD 1 1 8 4843 1 1 42 LYS CE C 4.650 -11.086 -20.582 1.00 . A A . 42 LYS CE 1 1 8 4844 1 1 42 LYS CG C 5.783 -11.934 -18.496 1.00 . A A . 42 LYS CG 1 1 8 4845 1 1 42 LYS H H 8.722 -12.985 -19.111 1.00 . A A . 42 LYS H 1 1 8 4846 1 1 42 LYS HA H 7.118 -15.068 -17.990 1.00 . A A . 42 LYS HA 1 1 8 4847 1 1 42 LYS HB2 H 5.037 -13.846 -17.833 1.00 . A A . 42 LYS HB2 1 1 8 4848 1 1 42 LYS HB3 H 6.224 -13.134 -16.758 1.00 . A A . 42 LYS HB3 1 1 8 4849 1 1 42 LYS HD2 H 4.184 -12.922 -19.552 1.00 . A A . 42 LYS HD2 1 1 8 4850 1 1 42 LYS HD3 H 3.685 -11.478 -18.693 1.00 . A A . 42 LYS HD3 1 1 8 4851 1 1 42 LYS HE2 H 5.594 -10.541 -20.553 1.00 . A A . 42 LYS HE2 1 1 8 4852 1 1 42 LYS HE3 H 4.694 -11.752 -21.444 1.00 . A A . 42 LYS HE3 1 1 8 4853 1 1 42 LYS HG2 H 5.771 -11.141 -17.748 1.00 . A A . 42 LYS HG2 1 1 8 4854 1 1 42 LYS HG3 H 6.629 -11.736 -19.155 1.00 . A A . 42 LYS HG3 1 1 8 4855 1 1 42 LYS HZ1 H 3.330 -9.938 -21.715 1.00 . A A . 42 LYS HZ1 1 1 8 4856 1 1 42 LYS HZ2 H 2.669 -10.489 -20.332 1.00 . A A . 42 LYS HZ2 1 1 8 4857 1 1 42 LYS N N 8.366 -13.457 -18.305 1.00 . A A . 42 LYS N 1 1 8 4858 1 1 42 LYS NZ N 3.527 -10.135 -20.739 1.00 . A A . 42 LYS NZ 1 1 8 4859 1 1 42 LYS O O 7.445 -13.676 -20.822 1.00 . A A . 42 LYS O 1 1 8 4860 1 1 43 LYS C C 4.351 -14.845 -22.053 1.00 . A A . 43 LYS C 1 1 8 4861 1 1 43 LYS CA C 5.615 -15.602 -21.641 1.00 . A A . 43 LYS CA 1 1 8 4862 1 1 43 LYS CB C 5.510 -17.118 -21.819 1.00 . A A . 43 LYS CB 1 1 8 4863 1 1 43 LYS CD C 7.241 -17.944 -23.456 1.00 . A A . 43 LYS CD 1 1 8 4864 1 1 43 LYS CE C 6.968 -19.384 -23.896 1.00 . A A . 43 LYS CE 1 1 8 4865 1 1 43 LYS CG C 6.895 -17.748 -21.979 1.00 . A A . 43 LYS CG 1 1 8 4866 1 1 43 LYS H H 5.452 -15.802 -19.574 1.00 . A A . 43 LYS H 1 1 8 4867 1 1 43 LYS HA H 6.441 -15.261 -22.265 1.00 . A A . 43 LYS HA 1 1 8 4868 1 1 43 LYS HB2 H 5.005 -17.555 -20.958 1.00 . A A . 43 LYS HB2 1 1 8 4869 1 1 43 LYS HB3 H 4.901 -17.343 -22.693 1.00 . A A . 43 LYS HB3 1 1 8 4870 1 1 43 LYS HD2 H 6.653 -17.258 -24.064 1.00 . A A . 43 LYS HD2 1 1 8 4871 1 1 43 LYS HD3 H 8.290 -17.702 -23.623 1.00 . A A . 43 LYS HD3 1 1 8 4872 1 1 43 LYS HE2 H 7.872 -19.817 -24.324 1.00 . A A . 43 LYS HE2 1 1 8 4873 1 1 43 LYS HE3 H 6.702 -19.992 -23.031 1.00 . A A . 43 LYS HE3 1 1 8 4874 1 1 43 LYS HG2 H 7.645 -17.113 -21.508 1.00 . A A . 43 LYS HG2 1 1 8 4875 1 1 43 LYS HG3 H 6.923 -18.709 -21.465 1.00 . A A . 43 LYS HG3 1 1 8 4876 1 1 43 LYS HZ1 H 5.436 -18.517 -25.012 1.00 . A A . 43 LYS HZ1 1 1 8 4877 1 1 43 LYS HZ2 H 6.202 -19.715 -25.806 1.00 . A A . 43 LYS HZ2 1 1 8 4878 1 1 43 LYS N N 5.944 -15.272 -20.264 1.00 . A A . 43 LYS N 1 1 8 4879 1 1 43 LYS NZ N 5.874 -19.424 -24.892 1.00 . A A . 43 LYS NZ 1 1 8 4880 1 1 43 LYS O O 3.388 -15.448 -22.525 1.00 . A A . 43 LYS O 1 1 9 4881 1 1 1 GLY C C 3.946 -0.002 0.137 1.00 . A A . 1 GLY C 1 1 9 4882 1 1 1 GLY CA C 2.501 0.264 0.564 1.00 . A A . 1 GLY CA 1 1 9 4883 1 1 1 GLY H1 H 1.513 0.731 2.337 1.00 . A A . 1 GLY H1 1 1 9 4884 1 1 1 GLY HA2 H 1.865 -0.560 0.238 1.00 . A A . 1 GLY HA2 1 1 9 4885 1 1 1 GLY HA3 H 2.132 1.165 0.072 1.00 . A A . 1 GLY HA3 1 1 9 4886 1 1 1 GLY N N 2.403 0.418 2.005 1.00 . A A . 1 GLY N 1 1 9 4887 1 1 1 GLY O O 4.501 -1.058 0.438 1.00 . A A . 1 GLY O 1 1 9 4888 1 1 2 PHE C C 6.355 2.163 -1.671 1.00 . A A . 2 PHE C 1 1 9 4889 1 1 2 PHE CA C 5.883 0.857 -1.027 1.00 . A A . 2 PHE CA 1 1 9 4890 1 1 2 PHE CB C 5.902 -0.252 -2.081 1.00 . A A . 2 PHE CB 1 1 9 4891 1 1 2 PHE CD1 C 7.504 -1.828 -0.977 1.00 . A A . 2 PHE CD1 1 1 9 4892 1 1 2 PHE CD2 C 5.384 -2.652 -1.589 1.00 . A A . 2 PHE CD2 1 1 9 4893 1 1 2 PHE CE1 C 7.852 -3.106 -0.464 1.00 . A A . 2 PHE CE1 1 1 9 4894 1 1 2 PHE CE2 C 5.732 -3.929 -1.076 1.00 . A A . 2 PHE CE2 1 1 9 4895 1 1 2 PHE CG C 6.277 -1.628 -1.529 1.00 . A A . 2 PHE CG 1 1 9 4896 1 1 2 PHE CZ C 6.959 -4.130 -0.524 1.00 . A A . 2 PHE CZ 1 1 9 4897 1 1 2 PHE H H 4.055 1.828 -0.797 1.00 . A A . 2 PHE H 1 1 9 4898 1 1 2 PHE HA H 6.506 0.637 -0.160 1.00 . A A . 2 PHE HA 1 1 9 4899 1 1 2 PHE HB2 H 4.918 -0.314 -2.546 1.00 . A A . 2 PHE HB2 1 1 9 4900 1 1 2 PHE HB3 H 6.609 0.018 -2.866 1.00 . A A . 2 PHE HB3 1 1 9 4901 1 1 2 PHE HD1 H 8.220 -1.007 -0.927 1.00 . A A . 2 PHE HD1 1 1 9 4902 1 1 2 PHE HD2 H 4.401 -2.492 -2.032 1.00 . A A . 2 PHE HD2 1 1 9 4903 1 1 2 PHE HE1 H 8.836 -3.266 -0.022 1.00 . A A . 2 PHE HE1 1 1 9 4904 1 1 2 PHE HE2 H 5.017 -4.750 -1.125 1.00 . A A . 2 PHE HE2 1 1 9 4905 1 1 2 PHE HZ H 7.227 -5.110 -0.130 1.00 . A A . 2 PHE HZ 1 1 9 4906 1 1 2 PHE N N 4.514 0.973 -0.557 1.00 . A A . 2 PHE N 1 1 9 4907 1 1 2 PHE O O 7.117 2.145 -2.635 1.00 . A A . 2 PHE O 1 1 9 4908 1 1 3 GLY C C 5.011 5.480 -1.738 1.00 . A A . 3 GLY C 1 1 9 4909 1 1 3 GLY CA C 6.242 4.579 -1.618 1.00 . A A . 3 GLY CA 1 1 9 4910 1 1 3 GLY H H 5.259 3.273 -0.327 1.00 . A A . 3 GLY H 1 1 9 4911 1 1 3 GLY HA2 H 6.972 5.041 -0.954 1.00 . A A . 3 GLY HA2 1 1 9 4912 1 1 3 GLY HA3 H 6.718 4.477 -2.593 1.00 . A A . 3 GLY HA3 1 1 9 4913 1 1 3 GLY N N 5.879 3.266 -1.111 1.00 . A A . 3 GLY N 1 1 9 4914 1 1 3 GLY O O 5.111 6.697 -1.585 1.00 . A A . 3 GLY O 1 1 9 4915 1 1 4 CYS C C 1.859 5.470 -0.832 1.00 . A A . 4 CYS C 1 1 9 4916 1 1 4 CYS CA C 2.630 5.578 -2.150 1.00 . A A . 4 CYS CA 1 1 9 4917 1 1 4 CYS CB C 1.807 5.066 -3.335 1.00 . A A . 4 CYS CB 1 1 9 4918 1 1 4 CYS H H 3.805 3.858 -2.131 1.00 . A A . 4 CYS H 1 1 9 4919 1 1 4 CYS HA H 2.894 6.614 -2.361 1.00 . A A . 4 CYS HA 1 1 9 4920 1 1 4 CYS HB2 H 2.273 4.159 -3.718 1.00 . A A . 4 CYS HB2 1 1 9 4921 1 1 4 CYS HB3 H 0.816 4.789 -2.978 1.00 . A A . 4 CYS HB3 1 1 9 4922 1 1 4 CYS N N 3.878 4.848 -2.008 1.00 . A A . 4 CYS N 1 1 9 4923 1 1 4 CYS O O 2.022 4.503 -0.090 1.00 . A A . 4 CYS O 1 1 9 4924 1 1 4 CYS SG S 1.624 6.259 -4.711 1.00 . A A . 4 CYS SG 1 1 9 4925 1 1 5 PRO C C 2.095 8.539 -1.434 1.00 . A A . 5 PRO C 1 1 9 4926 1 1 5 PRO CA C 0.881 7.612 -1.507 1.00 . A A . 5 PRO CA 1 1 9 4927 1 1 5 PRO CB C -0.417 8.299 -1.117 1.00 . A A . 5 PRO CB 1 1 9 4928 1 1 5 PRO CD C 0.166 6.647 0.606 1.00 . A A . 5 PRO CD 1 1 9 4929 1 1 5 PRO CG C -0.723 7.841 0.299 1.00 . A A . 5 PRO CG 1 1 9 4930 1 1 5 PRO HA H 0.853 7.272 -2.447 1.00 . A A . 5 PRO HA 1 1 9 4931 1 1 5 PRO HB2 H -0.314 9.383 -1.163 1.00 . A A . 5 PRO HB2 1 1 9 4932 1 1 5 PRO HB3 H -1.224 8.027 -1.799 1.00 . A A . 5 PRO HB3 1 1 9 4933 1 1 5 PRO HD2 H 0.763 6.817 1.502 1.00 . A A . 5 PRO HD2 1 1 9 4934 1 1 5 PRO HD3 H -0.423 5.748 0.780 1.00 . A A . 5 PRO HD3 1 1 9 4935 1 1 5 PRO HG2 H -0.539 8.646 1.010 1.00 . A A . 5 PRO HG2 1 1 9 4936 1 1 5 PRO HG3 H -1.774 7.568 0.393 1.00 . A A . 5 PRO HG3 1 1 9 4937 1 1 5 PRO N N 1.014 6.505 -0.575 1.00 . A A . 5 PRO N 1 1 9 4938 1 1 5 PRO O O 2.836 8.522 -0.452 1.00 . A A . 5 PRO O 1 1 9 4939 1 1 6 GLY C C 3.914 10.368 -3.979 1.00 . A A . 6 GLY C 1 1 9 4940 1 1 6 GLY CA C 3.373 10.261 -2.552 1.00 . A A . 6 GLY CA 1 1 9 4941 1 1 6 GLY H H 1.654 9.336 -3.279 1.00 . A A . 6 GLY H 1 1 9 4942 1 1 6 GLY HA2 H 3.049 11.244 -2.208 1.00 . A A . 6 GLY HA2 1 1 9 4943 1 1 6 GLY HA3 H 4.167 9.935 -1.881 1.00 . A A . 6 GLY HA3 1 1 9 4944 1 1 6 GLY N N 2.261 9.328 -2.485 1.00 . A A . 6 GLY N 1 1 9 4945 1 1 6 GLY O O 4.214 11.463 -4.453 1.00 . A A . 6 GLY O 1 1 9 4946 1 1 7 ASN C C 4.419 7.731 -6.511 1.00 . A A . 7 ASN C 1 1 9 4947 1 1 7 ASN CA C 4.522 9.165 -5.987 1.00 . A A . 7 ASN CA 1 1 9 4948 1 1 7 ASN CB C 5.991 9.588 -6.051 1.00 . A A . 7 ASN CB 1 1 9 4949 1 1 7 ASN CG C 6.734 9.187 -4.775 1.00 . A A . 7 ASN CG 1 1 9 4950 1 1 7 ASN H H 3.776 8.329 -4.231 1.00 . A A . 7 ASN H 1 1 9 4951 1 1 7 ASN HA H 3.896 9.859 -6.549 1.00 . A A . 7 ASN HA 1 1 9 4952 1 1 7 ASN HB2 H 6.469 9.125 -6.915 1.00 . A A . 7 ASN HB2 1 1 9 4953 1 1 7 ASN HB3 H 6.057 10.667 -6.191 1.00 . A A . 7 ASN HB3 1 1 9 4954 1 1 7 ASN HD21 H 8.191 10.503 -5.266 1.00 . A A . 7 ASN HD21 1 1 9 4955 1 1 7 ASN HD22 H 8.444 9.634 -3.788 1.00 . A A . 7 ASN HD22 1 1 9 4956 1 1 7 ASN N N 4.023 9.216 -4.624 1.00 . A A . 7 ASN N 1 1 9 4957 1 1 7 ASN ND2 N 7.885 9.828 -4.595 1.00 . A A . 7 ASN ND2 1 1 9 4958 1 1 7 ASN O O 4.776 6.784 -5.812 1.00 . A A . 7 ASN O 1 1 9 4959 1 1 7 ASN OD1 O 6.290 8.351 -4.005 1.00 . A A . 7 ASN OD1 1 1 9 4960 1 1 8 GLN C C 5.073 5.907 -9.067 1.00 . A A . 8 GLN C 1 1 9 4961 1 1 8 GLN CA C 3.777 6.314 -8.363 1.00 . A A . 8 GLN CA 1 1 9 4962 1 1 8 GLN CB C 2.598 6.310 -9.338 1.00 . A A . 8 GLN CB 1 1 9 4963 1 1 8 GLN CD C 0.502 7.703 -9.496 1.00 . A A . 8 GLN CD 1 1 9 4964 1 1 8 GLN CG C 1.304 6.725 -8.635 1.00 . A A . 8 GLN CG 1 1 9 4965 1 1 8 GLN H H 3.643 8.391 -8.299 1.00 . A A . 8 GLN H 1 1 9 4966 1 1 8 GLN HA H 3.568 5.623 -7.546 1.00 . A A . 8 GLN HA 1 1 9 4967 1 1 8 GLN HB2 H 2.802 6.990 -10.164 1.00 . A A . 8 GLN HB2 1 1 9 4968 1 1 8 GLN HB3 H 2.479 5.314 -9.767 1.00 . A A . 8 GLN HB3 1 1 9 4969 1 1 8 GLN HE21 H 0.894 9.149 -8.136 1.00 . A A . 8 GLN HE21 1 1 9 4970 1 1 8 GLN HE22 H -0.064 9.647 -9.491 1.00 . A A . 8 GLN HE22 1 1 9 4971 1 1 8 GLN HG2 H 0.701 5.841 -8.424 1.00 . A A . 8 GLN HG2 1 1 9 4972 1 1 8 GLN HG3 H 1.539 7.187 -7.677 1.00 . A A . 8 GLN HG3 1 1 9 4973 1 1 8 GLN N N 3.931 7.617 -7.738 1.00 . A A . 8 GLN N 1 1 9 4974 1 1 8 GLN NE2 N 0.439 8.935 -9.000 1.00 . A A . 8 GLN NE2 1 1 9 4975 1 1 8 GLN O O 5.175 4.800 -9.595 1.00 . A A . 8 GLN O 1 1 9 4976 1 1 8 GLN OE1 O -0.026 7.361 -10.542 1.00 . A A . 8 GLN OE1 1 1 9 4977 1 1 9 LEU C C 8.176 5.719 -8.755 1.00 . A A . 9 LEU C 1 1 9 4978 1 1 9 LEU CA C 7.314 6.574 -9.685 1.00 . A A . 9 LEU CA 1 1 9 4979 1 1 9 LEU CB C 7.973 7.892 -10.096 1.00 . A A . 9 LEU CB 1 1 9 4980 1 1 9 LEU CD1 C 10.078 9.009 -9.271 1.00 . A A . 9 LEU CD1 1 1 9 4981 1 1 9 LEU CD2 C 7.807 9.977 -8.687 1.00 . A A . 9 LEU CD2 1 1 9 4982 1 1 9 LEU CG C 8.610 8.705 -8.967 1.00 . A A . 9 LEU CG 1 1 9 4983 1 1 9 LEU H H 5.938 7.721 -8.623 1.00 . A A . 9 LEU H 1 1 9 4984 1 1 9 LEU HA H 7.125 6.009 -10.597 1.00 . A A . 9 LEU HA 1 1 9 4985 1 1 9 LEU HB2 H 8.742 7.674 -10.838 1.00 . A A . 9 LEU HB2 1 1 9 4986 1 1 9 LEU HB3 H 7.224 8.513 -10.586 1.00 . A A . 9 LEU HB3 1 1 9 4987 1 1 9 LEU HD11 H 10.716 8.396 -8.634 1.00 . A A . 9 LEU HD11 1 1 9 4988 1 1 9 LEU HD12 H 10.287 8.785 -10.316 1.00 . A A . 9 LEU HD12 1 1 9 4989 1 1 9 LEU HD13 H 10.278 10.063 -9.078 1.00 . A A . 9 LEU HD13 1 1 9 4990 1 1 9 LEU HD21 H 6.748 9.782 -8.854 1.00 . A A . 9 LEU HD21 1 1 9 4991 1 1 9 LEU HD22 H 7.961 10.283 -7.652 1.00 . A A . 9 LEU HD22 1 1 9 4992 1 1 9 LEU HD23 H 8.140 10.771 -9.355 1.00 . A A . 9 LEU HD23 1 1 9 4993 1 1 9 LEU HG H 8.587 8.103 -8.058 1.00 . A A . 9 LEU HG 1 1 9 4994 1 1 9 LEU N N 6.029 6.824 -9.054 1.00 . A A . 9 LEU N 1 1 9 4995 1 1 9 LEU O O 9.048 4.983 -9.213 1.00 . A A . 9 LEU O 1 1 9 4996 1 1 10 LYS C C 8.264 3.612 -6.564 1.00 . A A . 10 LYS C 1 1 9 4997 1 1 10 LYS CA C 8.643 5.091 -6.465 1.00 . A A . 10 LYS CA 1 1 9 4998 1 1 10 LYS CB C 8.427 5.691 -5.075 1.00 . A A . 10 LYS CB 1 1 9 4999 1 1 10 LYS CD C 9.680 5.714 -2.886 1.00 . A A . 10 LYS CD 1 1 9 5000 1 1 10 LYS CE C 11.013 6.018 -2.199 1.00 . A A . 10 LYS CE 1 1 9 5001 1 1 10 LYS CG C 9.765 5.981 -4.391 1.00 . A A . 10 LYS CG 1 1 9 5002 1 1 10 LYS H H 7.192 6.444 -7.099 1.00 . A A . 10 LYS H 1 1 9 5003 1 1 10 LYS HA H 9.703 5.192 -6.700 1.00 . A A . 10 LYS HA 1 1 9 5004 1 1 10 LYS HB2 H 7.849 6.611 -5.156 1.00 . A A . 10 LYS HB2 1 1 9 5005 1 1 10 LYS HB3 H 7.845 5.001 -4.464 1.00 . A A . 10 LYS HB3 1 1 9 5006 1 1 10 LYS HD2 H 8.893 6.328 -2.448 1.00 . A A . 10 LYS HD2 1 1 9 5007 1 1 10 LYS HD3 H 9.406 4.674 -2.713 1.00 . A A . 10 LYS HD3 1 1 9 5008 1 1 10 LYS HE2 H 11.207 5.276 -1.425 1.00 . A A . 10 LYS HE2 1 1 9 5009 1 1 10 LYS HE3 H 11.826 5.945 -2.922 1.00 . A A . 10 LYS HE3 1 1 9 5010 1 1 10 LYS HG2 H 10.545 5.361 -4.830 1.00 . A A . 10 LYS HG2 1 1 9 5011 1 1 10 LYS HG3 H 10.048 7.019 -4.563 1.00 . A A . 10 LYS HG3 1 1 9 5012 1 1 10 LYS HZ1 H 10.223 7.489 -0.951 1.00 . A A . 10 LYS HZ1 1 1 9 5013 1 1 10 LYS HZ2 H 11.844 7.575 -1.091 1.00 . A A . 10 LYS HZ2 1 1 9 5014 1 1 10 LYS N N 7.903 5.844 -7.464 1.00 . A A . 10 LYS N 1 1 9 5015 1 1 10 LYS NZ N 10.992 7.373 -1.603 1.00 . A A . 10 LYS NZ 1 1 9 5016 1 1 10 LYS O O 9.079 2.738 -6.273 1.00 . A A . 10 LYS O 1 1 9 5017 1 1 11 CYS C C 7.177 1.396 -8.351 1.00 . A A . 11 CYS C 1 1 9 5018 1 1 11 CYS CA C 6.529 2.019 -7.113 1.00 . A A . 11 CYS CA 1 1 9 5019 1 1 11 CYS CB C 5.000 1.981 -7.189 1.00 . A A . 11 CYS CB 1 1 9 5020 1 1 11 CYS H H 6.370 4.094 -7.209 1.00 . A A . 11 CYS H 1 1 9 5021 1 1 11 CYS HA H 6.823 1.484 -6.211 1.00 . A A . 11 CYS HA 1 1 9 5022 1 1 11 CYS HB2 H 4.679 2.562 -8.053 1.00 . A A . 11 CYS HB2 1 1 9 5023 1 1 11 CYS HB3 H 4.685 0.952 -7.361 1.00 . A A . 11 CYS HB3 1 1 9 5024 1 1 11 CYS N N 7.026 3.378 -6.975 1.00 . A A . 11 CYS N 1 1 9 5025 1 1 11 CYS O O 7.458 0.198 -8.371 1.00 . A A . 11 CYS O 1 1 9 5026 1 1 11 CYS SG S 4.143 2.618 -5.703 1.00 . A A . 11 CYS SG 1 1 9 5027 1 1 12 ASN C C 9.467 1.415 -10.330 1.00 . A A . 12 ASN C 1 1 9 5028 1 1 12 ASN CA C 8.005 1.780 -10.591 1.00 . A A . 12 ASN CA 1 1 9 5029 1 1 12 ASN CB C 7.974 2.879 -11.656 1.00 . A A . 12 ASN CB 1 1 9 5030 1 1 12 ASN CG C 6.539 3.327 -11.940 1.00 . A A . 12 ASN CG 1 1 9 5031 1 1 12 ASN H H 7.163 3.207 -9.328 1.00 . A A . 12 ASN H 1 1 9 5032 1 1 12 ASN HA H 7.410 0.922 -10.905 1.00 . A A . 12 ASN HA 1 1 9 5033 1 1 12 ASN HB2 H 8.564 3.731 -11.321 1.00 . A A . 12 ASN HB2 1 1 9 5034 1 1 12 ASN HB3 H 8.434 2.514 -12.574 1.00 . A A . 12 ASN HB3 1 1 9 5035 1 1 12 ASN HD21 H 7.285 4.956 -12.882 1.00 . A A . 12 ASN HD21 1 1 9 5036 1 1 12 ASN HD22 H 5.556 4.848 -12.846 1.00 . A A . 12 ASN HD22 1 1 9 5037 1 1 12 ASN N N 7.395 2.235 -9.353 1.00 . A A . 12 ASN N 1 1 9 5038 1 1 12 ASN ND2 N 6.452 4.472 -12.612 1.00 . A A . 12 ASN ND2 1 1 9 5039 1 1 12 ASN O O 9.904 0.314 -10.660 1.00 . A A . 12 ASN O 1 1 9 5040 1 1 12 ASN OD1 O 5.574 2.675 -11.575 1.00 . A A . 12 ASN OD1 1 1 9 5041 1 1 13 ASN C C 11.737 0.891 -8.578 1.00 . A A . 13 ASN C 1 1 9 5042 1 1 13 ASN CA C 11.588 2.153 -9.432 1.00 . A A . 13 ASN CA 1 1 9 5043 1 1 13 ASN CB C 12.158 3.329 -8.638 1.00 . A A . 13 ASN CB 1 1 9 5044 1 1 13 ASN CG C 11.666 4.663 -9.205 1.00 . A A . 13 ASN CG 1 1 9 5045 1 1 13 ASN H H 9.821 3.255 -9.475 1.00 . A A . 13 ASN H 1 1 9 5046 1 1 13 ASN HA H 12.084 2.063 -10.398 1.00 . A A . 13 ASN HA 1 1 9 5047 1 1 13 ASN HB2 H 11.863 3.244 -7.591 1.00 . A A . 13 ASN HB2 1 1 9 5048 1 1 13 ASN HB3 H 13.247 3.298 -8.665 1.00 . A A . 13 ASN HB3 1 1 9 5049 1 1 13 ASN HD21 H 11.547 5.370 -7.311 1.00 . A A . 13 ASN HD21 1 1 9 5050 1 1 13 ASN HD22 H 11.086 6.489 -8.551 1.00 . A A . 13 ASN HD22 1 1 9 5051 1 1 13 ASN N N 10.184 2.361 -9.740 1.00 . A A . 13 ASN N 1 1 9 5052 1 1 13 ASN ND2 N 11.413 5.584 -8.280 1.00 . A A . 13 ASN ND2 1 1 9 5053 1 1 13 ASN O O 12.659 0.104 -8.784 1.00 . A A . 13 ASN O 1 1 9 5054 1 1 13 ASN OD1 O 11.528 4.844 -10.403 1.00 . A A . 13 ASN OD1 1 1 9 5055 1 1 14 HIS C C 10.581 -1.687 -7.565 1.00 . A A . 14 HIS C 1 1 9 5056 1 1 14 HIS CA C 10.831 -0.414 -6.754 1.00 . A A . 14 HIS CA 1 1 9 5057 1 1 14 HIS CB C 9.833 -0.234 -5.609 1.00 . A A . 14 HIS CB 1 1 9 5058 1 1 14 HIS CD2 C 8.703 -2.481 -4.895 1.00 . A A . 14 HIS CD2 1 1 9 5059 1 1 14 HIS CE1 C 9.971 -2.934 -3.172 1.00 . A A . 14 HIS CE1 1 1 9 5060 1 1 14 HIS CG C 9.620 -1.478 -4.779 1.00 . A A . 14 HIS CG 1 1 9 5061 1 1 14 HIS H H 10.068 1.384 -7.478 1.00 . A A . 14 HIS H 1 1 9 5062 1 1 14 HIS HA H 11.830 -0.461 -6.320 1.00 . A A . 14 HIS HA 1 1 9 5063 1 1 14 HIS HB2 H 10.182 0.569 -4.959 1.00 . A A . 14 HIS HB2 1 1 9 5064 1 1 14 HIS HB3 H 8.876 0.083 -6.022 1.00 . A A . 14 HIS HB3 1 1 9 5065 1 1 14 HIS HD1 H 11.169 -1.247 -3.336 1.00 . A A . 14 HIS HD1 1 1 9 5066 1 1 14 HIS HD2 H 7.927 -2.549 -5.657 1.00 . A A . 14 HIS HD2 1 1 9 5067 1 1 14 HIS HE1 H 10.385 -3.444 -2.301 1.00 . A A . 14 HIS HE1 1 1 9 5068 1 1 14 HIS N N 10.815 0.738 -7.639 1.00 . A A . 14 HIS N 1 1 9 5069 1 1 14 HIS ND1 N 10.405 -1.791 -3.683 1.00 . A A . 14 HIS ND1 1 1 9 5070 1 1 14 HIS NE2 N 8.917 -3.360 -3.925 1.00 . A A . 14 HIS NE2 1 1 9 5071 1 1 14 HIS O O 11.222 -2.711 -7.334 1.00 . A A . 14 HIS O 1 1 9 5072 1 1 15 CYS C C 10.527 -3.068 -10.190 1.00 . A A . 15 CYS C 1 1 9 5073 1 1 15 CYS CA C 9.303 -2.712 -9.344 1.00 . A A . 15 CYS CA 1 1 9 5074 1 1 15 CYS CB C 8.077 -2.417 -10.211 1.00 . A A . 15 CYS CB 1 1 9 5075 1 1 15 CYS H H 9.129 -0.745 -8.679 1.00 . A A . 15 CYS H 1 1 9 5076 1 1 15 CYS HA H 9.040 -3.533 -8.678 1.00 . A A . 15 CYS HA 1 1 9 5077 1 1 15 CYS HB2 H 8.261 -1.504 -10.777 1.00 . A A . 15 CYS HB2 1 1 9 5078 1 1 15 CYS HB3 H 7.960 -3.223 -10.936 1.00 . A A . 15 CYS HB3 1 1 9 5079 1 1 15 CYS N N 9.646 -1.582 -8.498 1.00 . A A . 15 CYS N 1 1 9 5080 1 1 15 CYS O O 10.670 -4.208 -10.632 1.00 . A A . 15 CYS O 1 1 9 5081 1 1 15 CYS SG S 6.510 -2.228 -9.286 1.00 . A A . 15 CYS SG 1 1 9 5082 1 1 16 LYS C C 13.644 -2.963 -10.310 1.00 . A A . 16 LYS C 1 1 9 5083 1 1 16 LYS CA C 12.587 -2.268 -11.172 1.00 . A A . 16 LYS CA 1 1 9 5084 1 1 16 LYS CB C 13.057 -0.941 -11.771 1.00 . A A . 16 LYS CB 1 1 9 5085 1 1 16 LYS CD C 15.133 -0.073 -10.635 1.00 . A A . 16 LYS CD 1 1 9 5086 1 1 16 LYS CE C 16.592 0.326 -10.871 1.00 . A A . 16 LYS CE 1 1 9 5087 1 1 16 LYS CG C 14.584 -0.872 -11.818 1.00 . A A . 16 LYS CG 1 1 9 5088 1 1 16 LYS H H 11.256 -1.150 -10.025 1.00 . A A . 16 LYS H 1 1 9 5089 1 1 16 LYS HA H 12.334 -2.926 -12.004 1.00 . A A . 16 LYS HA 1 1 9 5090 1 1 16 LYS HB2 H 12.653 -0.829 -12.778 1.00 . A A . 16 LYS HB2 1 1 9 5091 1 1 16 LYS HB3 H 12.669 -0.113 -11.178 1.00 . A A . 16 LYS HB3 1 1 9 5092 1 1 16 LYS HD2 H 14.528 0.821 -10.482 1.00 . A A . 16 LYS HD2 1 1 9 5093 1 1 16 LYS HD3 H 15.059 -0.668 -9.724 1.00 . A A . 16 LYS HD3 1 1 9 5094 1 1 16 LYS HE2 H 17.243 -0.528 -10.683 1.00 . A A . 16 LYS HE2 1 1 9 5095 1 1 16 LYS HE3 H 16.732 0.612 -11.913 1.00 . A A . 16 LYS HE3 1 1 9 5096 1 1 16 LYS HG2 H 14.998 -1.880 -11.805 1.00 . A A . 16 LYS HG2 1 1 9 5097 1 1 16 LYS HG3 H 14.902 -0.408 -12.752 1.00 . A A . 16 LYS HG3 1 1 9 5098 1 1 16 LYS HZ1 H 17.870 1.297 -9.543 1.00 . A A . 16 LYS HZ1 1 1 9 5099 1 1 16 LYS HZ2 H 17.039 2.326 -10.494 1.00 . A A . 16 LYS HZ2 1 1 9 5100 1 1 16 LYS N N 11.380 -2.074 -10.388 1.00 . A A . 16 LYS N 1 1 9 5101 1 1 16 LYS NZ N 16.971 1.450 -9.987 1.00 . A A . 16 LYS NZ 1 1 9 5102 1 1 16 LYS O O 14.397 -3.802 -10.801 1.00 . A A . 16 LYS O 1 1 9 5103 1 1 17 SER C C 14.292 -4.639 -7.870 1.00 . A A . 17 SER C 1 1 9 5104 1 1 17 SER CA C 14.617 -3.162 -8.105 1.00 . A A . 17 SER CA 1 1 9 5105 1 1 17 SER CB C 14.614 -2.401 -6.778 1.00 . A A . 17 SER CB 1 1 9 5106 1 1 17 SER H H 13.048 -1.903 -8.649 1.00 . A A . 17 SER H 1 1 9 5107 1 1 17 SER HA H 15.591 -3.056 -8.582 1.00 . A A . 17 SER HA 1 1 9 5108 1 1 17 SER HB2 H 14.901 -1.365 -6.953 1.00 . A A . 17 SER HB2 1 1 9 5109 1 1 17 SER HB3 H 13.602 -2.386 -6.370 1.00 . A A . 17 SER HB3 1 1 9 5110 1 1 17 SER HG H 15.548 -2.412 -5.007 1.00 . A A . 17 SER HG 1 1 9 5111 1 1 17 SER N N 13.665 -2.586 -9.040 1.00 . A A . 17 SER N 1 1 9 5112 1 1 17 SER O O 15.195 -5.467 -7.763 1.00 . A A . 17 SER O 1 1 9 5113 1 1 17 SER OG O 15.499 -2.984 -5.825 1.00 . A A . 17 SER OG 1 1 9 5114 1 1 18 ILE C C 12.765 -7.104 -8.854 1.00 . A A . 18 ILE C 1 1 9 5115 1 1 18 ILE CA C 12.545 -6.287 -7.580 1.00 . A A . 18 ILE CA 1 1 9 5116 1 1 18 ILE CB C 11.098 -6.296 -7.085 1.00 . A A . 18 ILE CB 1 1 9 5117 1 1 18 ILE CD1 C 8.732 -5.611 -7.623 1.00 . A A . 18 ILE CD1 1 1 9 5118 1 1 18 ILE CG1 C 10.141 -5.823 -8.181 1.00 . A A . 18 ILE CG1 1 1 9 5119 1 1 18 ILE CG2 C 10.952 -5.474 -5.802 1.00 . A A . 18 ILE CG2 1 1 9 5120 1 1 18 ILE H H 12.272 -4.245 -7.888 1.00 . A A . 18 ILE H 1 1 9 5121 1 1 18 ILE HA H 13.160 -6.713 -6.787 1.00 . A A . 18 ILE HA 1 1 9 5122 1 1 18 ILE HB H 10.827 -7.323 -6.841 1.00 . A A . 18 ILE HB 1 1 9 5123 1 1 18 ILE HD11 H 8.705 -4.688 -7.043 1.00 . A A . 18 ILE HD11 1 1 9 5124 1 1 18 ILE HD12 H 8.022 -5.542 -8.448 1.00 . A A . 18 ILE HD12 1 1 9 5125 1 1 18 ILE HD13 H 8.464 -6.450 -6.982 1.00 . A A . 18 ILE HD13 1 1 9 5126 1 1 18 ILE HG12 H 10.509 -4.892 -8.613 1.00 . A A . 18 ILE HG12 1 1 9 5127 1 1 18 ILE HG13 H 10.111 -6.559 -8.984 1.00 . A A . 18 ILE HG13 1 1 9 5128 1 1 18 ILE HG21 H 11.256 -4.444 -5.994 1.00 . A A . 18 ILE HG21 1 1 9 5129 1 1 18 ILE HG22 H 9.913 -5.491 -5.476 1.00 . A A . 18 ILE HG22 1 1 9 5130 1 1 18 ILE HG23 H 11.585 -5.900 -5.023 1.00 . A A . 18 ILE HG23 1 1 9 5131 1 1 18 ILE N N 13.001 -4.924 -7.799 1.00 . A A . 18 ILE N 1 1 9 5132 1 1 18 ILE O O 13.450 -8.125 -8.831 1.00 . A A . 18 ILE O 1 1 9 5133 1 1 19 SER C C 11.025 -7.073 -12.049 1.00 . A A . 19 SER C 1 1 9 5134 1 1 19 SER CA C 12.290 -7.298 -11.218 1.00 . A A . 19 SER CA 1 1 9 5135 1 1 19 SER CB C 12.544 -8.795 -11.033 1.00 . A A . 19 SER CB 1 1 9 5136 1 1 19 SER H H 11.613 -5.793 -9.946 1.00 . A A . 19 SER H 1 1 9 5137 1 1 19 SER HA H 13.152 -6.841 -11.704 1.00 . A A . 19 SER HA 1 1 9 5138 1 1 19 SER HB2 H 13.606 -8.963 -10.854 1.00 . A A . 19 SER HB2 1 1 9 5139 1 1 19 SER HB3 H 12.014 -9.145 -10.147 1.00 . A A . 19 SER HB3 1 1 9 5140 1 1 19 SER HG H 11.152 -9.761 -12.097 1.00 . A A . 19 SER HG 1 1 9 5141 1 1 19 SER N N 12.169 -6.624 -9.936 1.00 . A A . 19 SER N 1 1 9 5142 1 1 19 SER O O 10.248 -8.002 -12.267 1.00 . A A . 19 SER O 1 1 9 5143 1 1 19 SER OG O 12.128 -9.552 -12.165 1.00 . A A . 19 SER OG 1 1 9 5144 1 1 20 CYS C C 10.059 -4.253 -14.137 1.00 . A A . 20 CYS C 1 1 9 5145 1 1 20 CYS CA C 9.699 -5.478 -13.292 1.00 . A A . 20 CYS CA 1 1 9 5146 1 1 20 CYS CB C 8.465 -5.228 -12.423 1.00 . A A . 20 CYS CB 1 1 9 5147 1 1 20 CYS H H 11.493 -5.086 -12.309 1.00 . A A . 20 CYS H 1 1 9 5148 1 1 20 CYS HA H 9.482 -6.336 -13.928 1.00 . A A . 20 CYS HA 1 1 9 5149 1 1 20 CYS HB2 H 8.793 -4.960 -11.419 1.00 . A A . 20 CYS HB2 1 1 9 5150 1 1 20 CYS HB3 H 7.925 -4.369 -12.822 1.00 . A A . 20 CYS HB3 1 1 9 5151 1 1 20 CYS N N 10.857 -5.836 -12.490 1.00 . A A . 20 CYS N 1 1 9 5152 1 1 20 CYS O O 11.153 -3.705 -14.006 1.00 . A A . 20 CYS O 1 1 9 5153 1 1 20 CYS SG S 7.310 -6.643 -12.306 1.00 . A A . 20 CYS SG 1 1 9 5154 1 1 21 ARG C C 8.902 -1.427 -15.135 1.00 . A A . 21 ARG C 1 1 9 5155 1 1 21 ARG CA C 9.324 -2.713 -15.849 1.00 . A A . 21 ARG CA 1 1 9 5156 1 1 21 ARG CB C 8.526 -2.851 -17.148 1.00 . A A . 21 ARG CB 1 1 9 5157 1 1 21 ARG CD C 10.104 -2.938 -19.113 1.00 . A A . 21 ARG CD 1 1 9 5158 1 1 21 ARG CG C 9.253 -3.758 -18.143 1.00 . A A . 21 ARG CG 1 1 9 5159 1 1 21 ARG CZ C 12.400 -1.953 -19.016 1.00 . A A . 21 ARG CZ 1 1 9 5160 1 1 21 ARG H H 8.233 -4.313 -15.084 1.00 . A A . 21 ARG H 1 1 9 5161 1 1 21 ARG HA H 10.394 -2.710 -16.061 1.00 . A A . 21 ARG HA 1 1 9 5162 1 1 21 ARG HB2 H 7.540 -3.260 -16.929 1.00 . A A . 21 ARG HB2 1 1 9 5163 1 1 21 ARG HB3 H 8.373 -1.868 -17.592 1.00 . A A . 21 ARG HB3 1 1 9 5164 1 1 21 ARG HD2 H 10.058 -3.376 -20.110 1.00 . A A . 21 ARG HD2 1 1 9 5165 1 1 21 ARG HD3 H 9.707 -1.926 -19.192 1.00 . A A . 21 ARG HD3 1 1 9 5166 1 1 21 ARG HE H 11.812 -3.607 -18.012 1.00 . A A . 21 ARG HE 1 1 9 5167 1 1 21 ARG HG2 H 9.886 -4.462 -17.603 1.00 . A A . 21 ARG HG2 1 1 9 5168 1 1 21 ARG HG3 H 8.524 -4.348 -18.700 1.00 . A A . 21 ARG HG3 1 1 9 5169 1 1 21 ARG HH11 H 11.111 -0.930 -20.225 1.00 . A A . 21 ARG HH11 1 1 9 5170 1 1 21 ARG HH12 H 12.712 -0.273 -20.136 1.00 . A A . 21 ARG HH12 1 1 9 5171 1 1 21 ARG HH21 H 14.348 -1.354 -18.759 1.00 . A A . 21 ARG HH21 1 1 9 5172 1 1 21 ARG N N 9.120 -3.861 -14.984 1.00 . A A . 21 ARG N 1 1 9 5173 1 1 21 ARG NE N 11.507 -2.894 -18.644 1.00 . A A . 21 ARG NE 1 1 9 5174 1 1 21 ARG NH1 N 12.043 -0.967 -19.866 1.00 . A A . 21 ARG NH1 1 1 9 5175 1 1 21 ARG NH2 N 13.629 -2.011 -18.535 1.00 . A A . 21 ARG NH2 1 1 9 5176 1 1 21 ARG O O 9.714 -0.522 -14.945 1.00 . A A . 21 ARG O 1 1 9 5177 1 1 22 ALA C C 5.639 -0.502 -13.679 1.00 . A A . 22 ALA C 1 1 9 5178 1 1 22 ALA CA C 7.093 -0.228 -14.066 1.00 . A A . 22 ALA CA 1 1 9 5179 1 1 22 ALA CB C 7.237 1.008 -14.956 1.00 . A A . 22 ALA CB 1 1 9 5180 1 1 22 ALA H H 6.979 -2.128 -14.915 1.00 . A A . 22 ALA H 1 1 9 5181 1 1 22 ALA HA H 7.680 -0.078 -13.161 1.00 . A A . 22 ALA HA 1 1 9 5182 1 1 22 ALA HB1 H 7.172 1.907 -14.343 1.00 . A A . 22 ALA HB1 1 1 9 5183 1 1 22 ALA HB2 H 8.201 0.982 -15.462 1.00 . A A . 22 ALA HB2 1 1 9 5184 1 1 22 ALA HB3 H 6.437 1.016 -15.698 1.00 . A A . 22 ALA HB3 1 1 9 5185 1 1 22 ALA N N 7.633 -1.387 -14.756 1.00 . A A . 22 ALA N 1 1 9 5186 1 1 22 ALA O O 4.931 -1.224 -14.380 1.00 . A A . 22 ALA O 1 1 9 5187 1 1 23 GLY C C 3.239 1.267 -11.743 1.00 . A A . 23 GLY C 1 1 9 5188 1 1 23 GLY CA C 3.878 -0.083 -12.073 1.00 . A A . 23 GLY CA 1 1 9 5189 1 1 23 GLY H H 5.818 0.674 -11.999 1.00 . A A . 23 GLY H 1 1 9 5190 1 1 23 GLY HA2 H 3.280 -0.599 -12.825 1.00 . A A . 23 GLY HA2 1 1 9 5191 1 1 23 GLY HA3 H 3.886 -0.714 -11.185 1.00 . A A . 23 GLY HA3 1 1 9 5192 1 1 23 GLY N N 5.235 0.088 -12.564 1.00 . A A . 23 GLY N 1 1 9 5193 1 1 23 GLY O O 3.387 2.228 -12.497 1.00 . A A . 23 GLY O 1 1 9 5194 1 1 24 TYR C C 1.139 2.289 -8.859 1.00 . A A . 24 TYR C 1 1 9 5195 1 1 24 TYR CA C 1.882 2.513 -10.178 1.00 . A A . 24 TYR CA 1 1 9 5196 1 1 24 TYR CB C 0.867 2.859 -11.268 1.00 . A A . 24 TYR CB 1 1 9 5197 1 1 24 TYR CD1 C -1.083 1.387 -10.643 1.00 . A A . 24 TYR CD1 1 1 9 5198 1 1 24 TYR CD2 C -0.060 1.067 -12.780 1.00 . A A . 24 TYR CD2 1 1 9 5199 1 1 24 TYR CE1 C -2.016 0.329 -10.931 1.00 . A A . 24 TYR CE1 1 1 9 5200 1 1 24 TYR CE2 C -0.993 0.009 -13.068 1.00 . A A . 24 TYR CE2 1 1 9 5201 1 1 24 TYR CG C -0.125 1.735 -11.574 1.00 . A A . 24 TYR CG 1 1 9 5202 1 1 24 TYR CZ C -1.925 -0.308 -12.130 1.00 . A A . 24 TYR CZ 1 1 9 5203 1 1 24 TYR H H 2.429 0.511 -10.009 1.00 . A A . 24 TYR H 1 1 9 5204 1 1 24 TYR HA H 2.646 3.278 -10.029 1.00 . A A . 24 TYR HA 1 1 9 5205 1 1 24 TYR HB2 H 0.311 3.747 -10.966 1.00 . A A . 24 TYR HB2 1 1 9 5206 1 1 24 TYR HB3 H 1.403 3.115 -12.182 1.00 . A A . 24 TYR HB3 1 1 9 5207 1 1 24 TYR HD1 H -1.134 1.916 -9.691 1.00 . A A . 24 TYR HD1 1 1 9 5208 1 1 24 TYR HD2 H 0.697 1.341 -13.515 1.00 . A A . 24 TYR HD2 1 1 9 5209 1 1 24 TYR HE1 H -2.778 0.046 -10.205 1.00 . A A . 24 TYR HE1 1 1 9 5210 1 1 24 TYR HE2 H -0.954 -0.527 -14.016 1.00 . A A . 24 TYR HE2 1 1 9 5211 1 1 24 TYR HH H -2.323 -2.180 -12.469 1.00 . A A . 24 TYR HH 1 1 9 5212 1 1 24 TYR N N 2.544 1.296 -10.617 1.00 . A A . 24 TYR N 1 1 9 5213 1 1 24 TYR O O 1.335 1.270 -8.198 1.00 . A A . 24 TYR O 1 1 9 5214 1 1 24 TYR OH O -2.807 -1.307 -12.401 1.00 . A A . 24 TYR OH 1 1 9 5215 1 1 25 CYS C C -1.944 3.006 -7.658 1.00 . A A . 25 CYS C 1 1 9 5216 1 1 25 CYS CA C -0.469 3.177 -7.287 1.00 . A A . 25 CYS CA 1 1 9 5217 1 1 25 CYS CB C -0.243 4.400 -6.396 1.00 . A A . 25 CYS CB 1 1 9 5218 1 1 25 CYS H H 0.151 4.083 -9.057 1.00 . A A . 25 CYS H 1 1 9 5219 1 1 25 CYS HA H -0.104 2.306 -6.742 1.00 . A A . 25 CYS HA 1 1 9 5220 1 1 25 CYS HB2 H -0.773 5.250 -6.828 1.00 . A A . 25 CYS HB2 1 1 9 5221 1 1 25 CYS HB3 H -0.690 4.208 -5.420 1.00 . A A . 25 CYS HB3 1 1 9 5222 1 1 25 CYS N N 0.303 3.256 -8.514 1.00 . A A . 25 CYS N 1 1 9 5223 1 1 25 CYS O O -2.534 3.880 -8.291 1.00 . A A . 25 CYS O 1 1 9 5224 1 1 25 CYS SG S 1.511 4.862 -6.157 1.00 . A A . 25 CYS SG 1 1 9 5225 1 1 26 ASP C C -4.706 2.870 -7.464 1.00 . A A . 26 ASP C 1 1 9 5226 1 1 26 ASP CA C -3.891 1.578 -7.529 1.00 . A A . 26 ASP CA 1 1 9 5227 1 1 26 ASP CB C -4.467 0.605 -6.498 1.00 . A A . 26 ASP CB 1 1 9 5228 1 1 26 ASP CG C -4.653 -0.830 -6.996 1.00 . A A . 26 ASP CG 1 1 9 5229 1 1 26 ASP H H -2.010 1.169 -6.733 1.00 . A A . 26 ASP H 1 1 9 5230 1 1 26 ASP HA H -3.894 1.132 -8.523 1.00 . A A . 26 ASP HA 1 1 9 5231 1 1 26 ASP HB2 H -3.808 0.588 -5.629 1.00 . A A . 26 ASP HB2 1 1 9 5232 1 1 26 ASP HB3 H -5.430 0.984 -6.160 1.00 . A A . 26 ASP HB3 1 1 9 5233 1 1 26 ASP HD2 H -6.156 -1.783 -7.612 1.00 . A A . 26 ASP HD2 1 1 9 5234 1 1 26 ASP N N -2.497 1.874 -7.248 1.00 . A A . 26 ASP N 1 1 9 5235 1 1 26 ASP O O -5.107 3.302 -6.385 1.00 . A A . 26 ASP O 1 1 9 5236 1 1 26 ASP OD1 O -3.730 -1.436 -7.559 1.00 . A A . 26 ASP OD1 1 1 9 5237 1 1 26 ASP OD2 O -5.822 -1.333 -6.784 1.00 . A A . 26 ASP OD2 1 1 9 5238 1 1 27 ALA C C -7.132 4.425 -8.291 1.00 . A A . 27 ALA C 1 1 9 5239 1 1 27 ALA CA C -5.688 4.687 -8.724 1.00 . A A . 27 ALA CA 1 1 9 5240 1 1 27 ALA CB C -5.598 5.239 -10.148 1.00 . A A . 27 ALA CB 1 1 9 5241 1 1 27 ALA H H -4.599 3.093 -9.508 1.00 . A A . 27 ALA H 1 1 9 5242 1 1 27 ALA HA H -5.237 5.405 -8.040 1.00 . A A . 27 ALA HA 1 1 9 5243 1 1 27 ALA HB1 H -6.369 5.997 -10.293 1.00 . A A . 27 ALA HB1 1 1 9 5244 1 1 27 ALA HB2 H -4.616 5.687 -10.303 1.00 . A A . 27 ALA HB2 1 1 9 5245 1 1 27 ALA HB3 H -5.745 4.429 -10.862 1.00 . A A . 27 ALA HB3 1 1 9 5246 1 1 27 ALA N N -4.928 3.452 -8.634 1.00 . A A . 27 ALA N 1 1 9 5247 1 1 27 ALA O O -7.913 5.360 -8.122 1.00 . A A . 27 ALA O 1 1 9 5248 1 1 28 ALA C C -8.804 2.551 -6.196 1.00 . A A . 28 ALA C 1 1 9 5249 1 1 28 ALA CA C -8.780 2.751 -7.713 1.00 . A A . 28 ALA CA 1 1 9 5250 1 1 28 ALA CB C -9.193 1.490 -8.473 1.00 . A A . 28 ALA CB 1 1 9 5251 1 1 28 ALA H H -6.802 2.394 -8.263 1.00 . A A . 28 ALA H 1 1 9 5252 1 1 28 ALA HA H -9.461 3.560 -7.976 1.00 . A A . 28 ALA HA 1 1 9 5253 1 1 28 ALA HB1 H -9.870 1.761 -9.285 1.00 . A A . 28 ALA HB1 1 1 9 5254 1 1 28 ALA HB2 H -8.308 1.006 -8.885 1.00 . A A . 28 ALA HB2 1 1 9 5255 1 1 28 ALA HB3 H -9.699 0.805 -7.793 1.00 . A A . 28 ALA HB3 1 1 9 5256 1 1 28 ALA N N -7.444 3.147 -8.124 1.00 . A A . 28 ALA N 1 1 9 5257 1 1 28 ALA O O -9.849 2.243 -5.624 1.00 . A A . 28 ALA O 1 1 9 5258 1 1 29 THR C C -6.997 3.872 -3.516 1.00 . A A . 29 THR C 1 1 9 5259 1 1 29 THR CA C -7.517 2.579 -4.149 1.00 . A A . 29 THR CA 1 1 9 5260 1 1 29 THR CB C -6.622 1.369 -3.880 1.00 . A A . 29 THR CB 1 1 9 5261 1 1 29 THR CG2 C -5.155 1.756 -3.681 1.00 . A A . 29 THR CG2 1 1 9 5262 1 1 29 THR H H -6.797 2.986 -6.060 1.00 . A A . 29 THR H 1 1 9 5263 1 1 29 THR HA H -8.509 2.397 -3.735 1.00 . A A . 29 THR HA 1 1 9 5264 1 1 29 THR HB H -6.724 0.626 -4.672 1.00 . A A . 29 THR HB 1 1 9 5265 1 1 29 THR HG1 H -7.936 0.476 -2.664 1.00 . A A . 29 THR HG1 1 1 9 5266 1 1 29 THR HG21 H -4.725 2.056 -4.636 1.00 . A A . 29 THR HG21 1 1 9 5267 1 1 29 THR HG22 H -5.092 2.587 -2.978 1.00 . A A . 29 THR HG22 1 1 9 5268 1 1 29 THR HG23 H -4.604 0.903 -3.286 1.00 . A A . 29 THR HG23 1 1 9 5269 1 1 29 THR N N -7.642 2.736 -5.589 1.00 . A A . 29 THR N 1 1 9 5270 1 1 29 THR O O -6.639 3.890 -2.339 1.00 . A A . 29 THR O 1 1 9 5271 1 1 29 THR OG1 O -7.036 0.907 -2.597 1.00 . A A . 29 THR OG1 1 1 9 5272 1 1 30 LEU C C -4.973 6.240 -3.896 1.00 . A A . 30 LEU C 1 1 9 5273 1 1 30 LEU CA C -6.502 6.214 -3.858 1.00 . A A . 30 LEU CA 1 1 9 5274 1 1 30 LEU CB C -7.088 6.532 -2.481 1.00 . A A . 30 LEU CB 1 1 9 5275 1 1 30 LEU CD1 C -9.026 6.527 -0.866 1.00 . A A . 30 LEU CD1 1 1 9 5276 1 1 30 LEU CD2 C -9.427 6.926 -3.340 1.00 . A A . 30 LEU CD2 1 1 9 5277 1 1 30 LEU CG C -8.572 6.209 -2.293 1.00 . A A . 30 LEU CG 1 1 9 5278 1 1 30 LEU H H -7.265 4.897 -5.280 1.00 . A A . 30 LEU H 1 1 9 5279 1 1 30 LEU HA H -6.878 6.967 -4.550 1.00 . A A . 30 LEU HA 1 1 9 5280 1 1 30 LEU HB2 H -6.518 5.985 -1.730 1.00 . A A . 30 LEU HB2 1 1 9 5281 1 1 30 LEU HB3 H -6.941 7.594 -2.282 1.00 . A A . 30 LEU HB3 1 1 9 5282 1 1 30 LEU HD11 H -9.433 5.628 -0.405 1.00 . A A . 30 LEU HD11 1 1 9 5283 1 1 30 LEU HD12 H -8.173 6.879 -0.284 1.00 . A A . 30 LEU HD12 1 1 9 5284 1 1 30 LEU HD13 H -9.792 7.301 -0.893 1.00 . A A . 30 LEU HD13 1 1 9 5285 1 1 30 LEU HD21 H -10.408 7.144 -2.919 1.00 . A A . 30 LEU HD21 1 1 9 5286 1 1 30 LEU HD22 H -8.941 7.857 -3.629 1.00 . A A . 30 LEU HD22 1 1 9 5287 1 1 30 LEU HD23 H -9.540 6.288 -4.215 1.00 . A A . 30 LEU HD23 1 1 9 5288 1 1 30 LEU HG H -8.710 5.138 -2.443 1.00 . A A . 30 LEU HG 1 1 9 5289 1 1 30 LEU N N -6.972 4.921 -4.324 1.00 . A A . 30 LEU N 1 1 9 5290 1 1 30 LEU O O -4.337 6.876 -3.056 1.00 . A A . 30 LEU O 1 1 9 5291 1 1 31 TRP C C -2.370 5.161 -3.671 1.00 . A A . 31 TRP C 1 1 9 5292 1 1 31 TRP CA C -2.982 5.476 -5.038 1.00 . A A . 31 TRP CA 1 1 9 5293 1 1 31 TRP CB C -2.439 6.766 -5.653 1.00 . A A . 31 TRP CB 1 1 9 5294 1 1 31 TRP CD1 C -2.204 6.857 -8.221 1.00 . A A . 31 TRP CD1 1 1 9 5295 1 1 31 TRP CD2 C -4.206 7.475 -7.504 1.00 . A A . 31 TRP CD2 1 1 9 5296 1 1 31 TRP CE2 C -4.215 7.568 -8.880 1.00 . A A . 31 TRP CE2 1 1 9 5297 1 1 31 TRP CE3 C -5.342 7.802 -6.741 1.00 . A A . 31 TRP CE3 1 1 9 5298 1 1 31 TRP CG C -2.903 7.015 -7.090 1.00 . A A . 31 TRP CG 1 1 9 5299 1 1 31 TRP CH2 C -6.474 8.318 -8.876 1.00 . A A . 31 TRP CH2 1 1 9 5300 1 1 31 TRP CZ2 C -5.332 7.987 -9.615 1.00 . A A . 31 TRP CZ2 1 1 9 5301 1 1 31 TRP CZ3 C -6.449 8.219 -7.489 1.00 . A A . 31 TRP CZ3 1 1 9 5302 1 1 31 TRP H H -4.948 5.026 -5.558 1.00 . A A . 31 TRP H 1 1 9 5303 1 1 31 TRP HA H -2.760 4.672 -5.739 1.00 . A A . 31 TRP HA 1 1 9 5304 1 1 31 TRP HB2 H -2.744 7.610 -5.032 1.00 . A A . 31 TRP HB2 1 1 9 5305 1 1 31 TRP HB3 H -1.350 6.736 -5.634 1.00 . A A . 31 TRP HB3 1 1 9 5306 1 1 31 TRP HD1 H -1.170 6.516 -8.261 1.00 . A A . 31 TRP HD1 1 1 9 5307 1 1 31 TRP HE1 H -2.629 7.139 -10.369 1.00 . A A . 31 TRP HE1 1 1 9 5308 1 1 31 TRP HE3 H -5.361 7.737 -5.653 1.00 . A A . 31 TRP HE3 1 1 9 5309 1 1 31 TRP HH2 H -7.378 8.652 -9.385 1.00 . A A . 31 TRP HH2 1 1 9 5310 1 1 31 TRP HZ2 H -5.312 8.052 -10.702 1.00 . A A . 31 TRP HZ2 1 1 9 5311 1 1 31 TRP HZ3 H -7.356 8.485 -6.946 1.00 . A A . 31 TRP HZ3 1 1 9 5312 1 1 31 TRP N N -4.425 5.540 -4.879 1.00 . A A . 31 TRP N 1 1 9 5313 1 1 31 TRP NE1 N -2.958 7.180 -9.331 1.00 . A A . 31 TRP NE1 1 1 9 5314 1 1 31 TRP O O -1.563 5.933 -3.156 1.00 . A A . 31 TRP O 1 1 9 5315 1 1 32 LEU C C -1.400 2.359 -2.005 1.00 . A A . 32 LEU C 1 1 9 5316 1 1 32 LEU CA C -2.279 3.599 -1.826 1.00 . A A . 32 LEU CA 1 1 9 5317 1 1 32 LEU CB C -3.437 3.395 -0.848 1.00 . A A . 32 LEU CB 1 1 9 5318 1 1 32 LEU CD1 C -4.706 4.483 1.041 1.00 . A A . 32 LEU CD1 1 1 9 5319 1 1 32 LEU CD2 C -3.211 5.877 -0.462 1.00 . A A . 32 LEU CD2 1 1 9 5320 1 1 32 LEU CG C -4.142 4.666 -0.370 1.00 . A A . 32 LEU CG 1 1 9 5321 1 1 32 LEU H H -3.434 3.402 -3.549 1.00 . A A . 32 LEU H 1 1 9 5322 1 1 32 LEU HA H -1.662 4.406 -1.432 1.00 . A A . 32 LEU HA 1 1 9 5323 1 1 32 LEU HB2 H -4.177 2.749 -1.321 1.00 . A A . 32 LEU HB2 1 1 9 5324 1 1 32 LEU HB3 H -3.060 2.862 0.025 1.00 . A A . 32 LEU HB3 1 1 9 5325 1 1 32 LEU HD11 H -4.131 5.086 1.743 1.00 . A A . 32 LEU HD11 1 1 9 5326 1 1 32 LEU HD12 H -5.748 4.799 1.059 1.00 . A A . 32 LEU HD12 1 1 9 5327 1 1 32 LEU HD13 H -4.640 3.432 1.325 1.00 . A A . 32 LEU HD13 1 1 9 5328 1 1 32 LEU HD21 H -2.283 5.663 0.069 1.00 . A A . 32 LEU HD21 1 1 9 5329 1 1 32 LEU HD22 H -2.991 6.088 -1.508 1.00 . A A . 32 LEU HD22 1 1 9 5330 1 1 32 LEU HD23 H -3.696 6.743 -0.010 1.00 . A A . 32 LEU HD23 1 1 9 5331 1 1 32 LEU HG H -4.986 4.859 -1.031 1.00 . A A . 32 LEU HG 1 1 9 5332 1 1 32 LEU N N -2.777 4.025 -3.123 1.00 . A A . 32 LEU N 1 1 9 5333 1 1 32 LEU O O -0.408 2.189 -1.297 1.00 . A A . 32 LEU O 1 1 9 5334 1 1 33 ARG C C 0.107 0.597 -4.188 1.00 . A A . 33 ARG C 1 1 9 5335 1 1 33 ARG CA C -1.055 0.306 -3.236 1.00 . A A . 33 ARG CA 1 1 9 5336 1 1 33 ARG CB C -1.962 -0.757 -3.860 1.00 . A A . 33 ARG CB 1 1 9 5337 1 1 33 ARG CD C -1.179 -3.075 -3.251 1.00 . A A . 33 ARG CD 1 1 9 5338 1 1 33 ARG CG C -2.150 -1.942 -2.911 1.00 . A A . 33 ARG CG 1 1 9 5339 1 1 33 ARG CZ C -0.052 -3.563 -1.072 1.00 . A A . 33 ARG CZ 1 1 9 5340 1 1 33 ARG H H -2.603 1.671 -3.527 1.00 . A A . 33 ARG H 1 1 9 5341 1 1 33 ARG HA H -0.692 -0.030 -2.265 1.00 . A A . 33 ARG HA 1 1 9 5342 1 1 33 ARG HB2 H -2.931 -0.320 -4.097 1.00 . A A . 33 ARG HB2 1 1 9 5343 1 1 33 ARG HB3 H -1.529 -1.103 -4.799 1.00 . A A . 33 ARG HB3 1 1 9 5344 1 1 33 ARG HD2 H -1.691 -4.036 -3.184 1.00 . A A . 33 ARG HD2 1 1 9 5345 1 1 33 ARG HD3 H -0.830 -2.971 -4.278 1.00 . A A . 33 ARG HD3 1 1 9 5346 1 1 33 ARG HE H 0.822 -2.628 -2.638 1.00 . A A . 33 ARG HE 1 1 9 5347 1 1 33 ARG HG2 H -1.990 -1.618 -1.883 1.00 . A A . 33 ARG HG2 1 1 9 5348 1 1 33 ARG HG3 H -3.175 -2.306 -2.977 1.00 . A A . 33 ARG HG3 1 1 9 5349 1 1 33 ARG HH11 H -1.991 -4.200 -1.163 1.00 . A A . 33 ARG HH11 1 1 9 5350 1 1 33 ARG HH12 H -1.181 -4.522 0.334 1.00 . A A . 33 ARG HH12 1 1 9 5351 1 1 33 ARG HH21 H 1.100 -3.840 0.605 1.00 . A A . 33 ARG HH21 1 1 9 5352 1 1 33 ARG N N -1.795 1.524 -2.956 1.00 . A A . 33 ARG N 1 1 9 5353 1 1 33 ARG NE N -0.028 -3.051 -2.322 1.00 . A A . 33 ARG NE 1 1 9 5354 1 1 33 ARG NH1 N -1.171 -4.145 -0.592 1.00 . A A . 33 ARG NH1 1 1 9 5355 1 1 33 ARG NH2 N 1.036 -3.486 -0.328 1.00 . A A . 33 ARG NH2 1 1 9 5356 1 1 33 ARG O O 0.257 1.722 -4.664 1.00 . A A . 33 ARG O 1 1 9 5357 1 1 34 CYS C C 2.064 -1.511 -6.263 1.00 . A A . 34 CYS C 1 1 9 5358 1 1 34 CYS CA C 2.043 -0.304 -5.322 1.00 . A A . 34 CYS CA 1 1 9 5359 1 1 34 CYS CB C 3.352 -0.167 -4.541 1.00 . A A . 34 CYS CB 1 1 9 5360 1 1 34 CYS H H 0.771 -1.346 -4.045 1.00 . A A . 34 CYS H 1 1 9 5361 1 1 34 CYS HA H 1.902 0.621 -5.882 1.00 . A A . 34 CYS HA 1 1 9 5362 1 1 34 CYS HB2 H 3.226 -0.636 -3.565 1.00 . A A . 34 CYS HB2 1 1 9 5363 1 1 34 CYS HB3 H 4.131 -0.722 -5.064 1.00 . A A . 34 CYS HB3 1 1 9 5364 1 1 34 CYS N N 0.900 -0.435 -4.436 1.00 . A A . 34 CYS N 1 1 9 5365 1 1 34 CYS O O 2.738 -2.503 -5.990 1.00 . A A . 34 CYS O 1 1 9 5366 1 1 34 CYS SG S 3.923 1.555 -4.295 1.00 . A A . 34 CYS SG 1 1 9 5367 1 1 35 THR C C 2.461 -2.416 -9.256 1.00 . A A . 35 THR C 1 1 9 5368 1 1 35 THR CA C 1.242 -2.453 -8.332 1.00 . A A . 35 THR CA 1 1 9 5369 1 1 35 THR CB C -0.088 -2.319 -9.075 1.00 . A A . 35 THR CB 1 1 9 5370 1 1 35 THR CG2 C 0.098 -2.131 -10.582 1.00 . A A . 35 THR CG2 1 1 9 5371 1 1 35 THR H H 0.773 -0.575 -7.564 1.00 . A A . 35 THR H 1 1 9 5372 1 1 35 THR HA H 1.270 -3.408 -7.805 1.00 . A A . 35 THR HA 1 1 9 5373 1 1 35 THR HB H -0.690 -1.513 -8.654 1.00 . A A . 35 THR HB 1 1 9 5374 1 1 35 THR HG1 H -1.669 -3.547 -9.121 1.00 . A A . 35 THR HG1 1 1 9 5375 1 1 35 THR HG21 H 0.531 -1.149 -10.775 1.00 . A A . 35 THR HG21 1 1 9 5376 1 1 35 THR HG22 H 0.766 -2.903 -10.965 1.00 . A A . 35 THR HG22 1 1 9 5377 1 1 35 THR HG23 H -0.867 -2.207 -11.081 1.00 . A A . 35 THR HG23 1 1 9 5378 1 1 35 THR N N 1.318 -1.386 -7.350 1.00 . A A . 35 THR N 1 1 9 5379 1 1 35 THR O O 3.135 -1.393 -9.359 1.00 . A A . 35 THR O 1 1 9 5380 1 1 35 THR OG1 O -0.684 -3.608 -8.957 1.00 . A A . 35 THR OG1 1 1 9 5381 1 1 36 CYS C C 3.321 -4.217 -12.147 1.00 . A A . 36 CYS C 1 1 9 5382 1 1 36 CYS CA C 3.831 -3.654 -10.818 1.00 . A A . 36 CYS CA 1 1 9 5383 1 1 36 CYS CB C 4.955 -4.509 -10.231 1.00 . A A . 36 CYS CB 1 1 9 5384 1 1 36 CYS H H 2.152 -4.372 -9.817 1.00 . A A . 36 CYS H 1 1 9 5385 1 1 36 CYS HA H 4.226 -2.647 -10.951 1.00 . A A . 36 CYS HA 1 1 9 5386 1 1 36 CYS HB2 H 4.551 -5.488 -9.971 1.00 . A A . 36 CYS HB2 1 1 9 5387 1 1 36 CYS HB3 H 5.711 -4.671 -10.999 1.00 . A A . 36 CYS HB3 1 1 9 5388 1 1 36 CYS N N 2.706 -3.545 -9.906 1.00 . A A . 36 CYS N 1 1 9 5389 1 1 36 CYS O O 2.780 -5.320 -12.189 1.00 . A A . 36 CYS O 1 1 9 5390 1 1 36 CYS SG S 5.767 -3.800 -8.751 1.00 . A A . 36 CYS SG 1 1 9 5391 1 1 37 THR C C 4.283 -4.032 -15.444 1.00 . A A . 37 THR C 1 1 9 5392 1 1 37 THR CA C 3.076 -3.839 -14.523 1.00 . A A . 37 THR CA 1 1 9 5393 1 1 37 THR CB C 2.082 -2.795 -15.035 1.00 . A A . 37 THR CB 1 1 9 5394 1 1 37 THR CG2 C 1.226 -2.203 -13.913 1.00 . A A . 37 THR CG2 1 1 9 5395 1 1 37 THR H H 3.952 -2.537 -13.153 1.00 . A A . 37 THR H 1 1 9 5396 1 1 37 THR HA H 2.580 -4.805 -14.440 1.00 . A A . 37 THR HA 1 1 9 5397 1 1 37 THR HB H 1.456 -3.210 -15.825 1.00 . A A . 37 THR HB 1 1 9 5398 1 1 37 THR HG1 H 3.505 -1.427 -14.709 1.00 . A A . 37 THR HG1 1 1 9 5399 1 1 37 THR HG21 H 1.303 -2.832 -13.026 1.00 . A A . 37 THR HG21 1 1 9 5400 1 1 37 THR HG22 H 1.580 -1.199 -13.678 1.00 . A A . 37 THR HG22 1 1 9 5401 1 1 37 THR HG23 H 0.186 -2.155 -14.236 1.00 . A A . 37 THR HG23 1 1 9 5402 1 1 37 THR N N 3.511 -3.433 -13.197 1.00 . A A . 37 THR N 1 1 9 5403 1 1 37 THR O O 5.283 -3.327 -15.317 1.00 . A A . 37 THR O 1 1 9 5404 1 1 37 THR OG1 O 2.903 -1.710 -15.456 1.00 . A A . 37 THR OG1 1 1 9 5405 1 1 38 ASP C C 6.471 -5.697 -16.520 1.00 . A A . 38 ASP C 1 1 9 5406 1 1 38 ASP CA C 5.215 -5.284 -17.291 1.00 . A A . 38 ASP CA 1 1 9 5407 1 1 38 ASP CB C 5.561 -4.054 -18.133 1.00 . A A . 38 ASP CB 1 1 9 5408 1 1 38 ASP CG C 4.571 -3.742 -19.257 1.00 . A A . 38 ASP CG 1 1 9 5409 1 1 38 ASP H H 3.332 -5.559 -16.445 1.00 . A A . 38 ASP H 1 1 9 5410 1 1 38 ASP HA H 4.829 -6.086 -17.919 1.00 . A A . 38 ASP HA 1 1 9 5411 1 1 38 ASP HB2 H 5.625 -3.188 -17.475 1.00 . A A . 38 ASP HB2 1 1 9 5412 1 1 38 ASP HB3 H 6.550 -4.197 -18.569 1.00 . A A . 38 ASP HB3 1 1 9 5413 1 1 38 ASP HD2 H 3.948 -2.207 -18.363 1.00 . A A . 38 ASP HD2 1 1 9 5414 1 1 38 ASP N N 4.149 -4.990 -16.349 1.00 . A A . 38 ASP N 1 1 9 5415 1 1 38 ASP O O 6.960 -4.947 -15.675 1.00 . A A . 38 ASP O 1 1 9 5416 1 1 38 ASP OD1 O 4.718 -4.225 -20.390 1.00 . A A . 38 ASP OD1 1 1 9 5417 1 1 38 ASP OD2 O 3.602 -2.956 -18.928 1.00 . A A . 38 ASP OD2 1 1 9 5418 1 1 39 CYS C C 8.927 -8.241 -17.206 1.00 . A A . 39 CYS C 1 1 9 5419 1 1 39 CYS CA C 8.146 -7.409 -16.186 1.00 . A A . 39 CYS CA 1 1 9 5420 1 1 39 CYS CB C 7.797 -8.220 -14.936 1.00 . A A . 39 CYS CB 1 1 9 5421 1 1 39 CYS H H 6.553 -7.490 -17.526 1.00 . A A . 39 CYS H 1 1 9 5422 1 1 39 CYS HA H 8.729 -6.548 -15.862 1.00 . A A . 39 CYS HA 1 1 9 5423 1 1 39 CYS HB2 H 7.348 -9.164 -15.246 1.00 . A A . 39 CYS HB2 1 1 9 5424 1 1 39 CYS HB3 H 8.719 -8.462 -14.408 1.00 . A A . 39 CYS HB3 1 1 9 5425 1 1 39 CYS N N 6.957 -6.887 -16.838 1.00 . A A . 39 CYS N 1 1 9 5426 1 1 39 CYS O O 8.341 -8.824 -18.116 1.00 . A A . 39 CYS O 1 1 9 5427 1 1 39 CYS SG S 6.658 -7.384 -13.773 1.00 . A A . 39 CYS SG 1 1 9 5428 1 1 40 ASN C C 11.011 -10.508 -17.573 1.00 . A A . 40 ASN C 1 1 9 5429 1 1 40 ASN CA C 11.107 -9.019 -17.910 1.00 . A A . 40 ASN CA 1 1 9 5430 1 1 40 ASN CB C 12.566 -8.590 -17.749 1.00 . A A . 40 ASN CB 1 1 9 5431 1 1 40 ASN CG C 12.908 -7.441 -18.700 1.00 . A A . 40 ASN CG 1 1 9 5432 1 1 40 ASN H H 10.707 -7.792 -16.275 1.00 . A A . 40 ASN H 1 1 9 5433 1 1 40 ASN HA H 10.747 -8.795 -18.914 1.00 . A A . 40 ASN HA 1 1 9 5434 1 1 40 ASN HB2 H 12.746 -8.280 -16.719 1.00 . A A . 40 ASN HB2 1 1 9 5435 1 1 40 ASN HB3 H 13.222 -9.437 -17.946 1.00 . A A . 40 ASN HB3 1 1 9 5436 1 1 40 ASN HD21 H 13.976 -6.587 -17.208 1.00 . A A . 40 ASN HD21 1 1 9 5437 1 1 40 ASN HD22 H 13.955 -5.708 -18.700 1.00 . A A . 40 ASN HD22 1 1 9 5438 1 1 40 ASN N N 10.239 -8.268 -17.018 1.00 . A A . 40 ASN N 1 1 9 5439 1 1 40 ASN ND2 N 13.676 -6.501 -18.158 1.00 . A A . 40 ASN ND2 1 1 9 5440 1 1 40 ASN O O 11.968 -11.097 -17.072 1.00 . A A . 40 ASN O 1 1 9 5441 1 1 40 ASN OD1 O 12.501 -7.410 -19.850 1.00 . A A . 40 ASN OD1 1 1 9 5442 1 1 41 GLY C C 9.656 -13.300 -18.888 1.00 . A A . 41 GLY C 1 1 9 5443 1 1 41 GLY CA C 9.616 -12.484 -17.595 1.00 . A A . 41 GLY CA 1 1 9 5444 1 1 41 GLY H H 9.075 -10.588 -18.268 1.00 . A A . 41 GLY H 1 1 9 5445 1 1 41 GLY HA2 H 10.372 -12.856 -16.902 1.00 . A A . 41 GLY HA2 1 1 9 5446 1 1 41 GLY HA3 H 8.649 -12.612 -17.108 1.00 . A A . 41 GLY HA3 1 1 9 5447 1 1 41 GLY N N 9.849 -11.074 -17.860 1.00 . A A . 41 GLY N 1 1 9 5448 1 1 41 GLY O O 8.738 -13.222 -19.704 1.00 . A A . 41 GLY O 1 1 9 5449 1 1 42 LYS C C 11.079 -14.000 -21.441 1.00 . A A . 42 LYS C 1 1 9 5450 1 1 42 LYS CA C 10.897 -14.896 -20.215 1.00 . A A . 42 LYS CA 1 1 9 5451 1 1 42 LYS CB C 9.739 -15.887 -20.345 1.00 . A A . 42 LYS CB 1 1 9 5452 1 1 42 LYS CD C 8.921 -17.896 -21.632 1.00 . A A . 42 LYS CD 1 1 9 5453 1 1 42 LYS CE C 9.678 -19.143 -22.094 1.00 . A A . 42 LYS CE 1 1 9 5454 1 1 42 LYS CG C 9.825 -16.662 -21.661 1.00 . A A . 42 LYS CG 1 1 9 5455 1 1 42 LYS H H 11.469 -14.125 -18.366 1.00 . A A . 42 LYS H 1 1 9 5456 1 1 42 LYS HA H 11.807 -15.480 -20.076 1.00 . A A . 42 LYS HA 1 1 9 5457 1 1 42 LYS HB2 H 9.755 -16.584 -19.507 1.00 . A A . 42 LYS HB2 1 1 9 5458 1 1 42 LYS HB3 H 8.791 -15.352 -20.295 1.00 . A A . 42 LYS HB3 1 1 9 5459 1 1 42 LYS HD2 H 8.543 -18.049 -20.621 1.00 . A A . 42 LYS HD2 1 1 9 5460 1 1 42 LYS HD3 H 8.056 -17.732 -22.274 1.00 . A A . 42 LYS HD3 1 1 9 5461 1 1 42 LYS HE2 H 10.646 -18.855 -22.506 1.00 . A A . 42 LYS HE2 1 1 9 5462 1 1 42 LYS HE3 H 9.875 -19.793 -21.241 1.00 . A A . 42 LYS HE3 1 1 9 5463 1 1 42 LYS HG2 H 9.536 -16.014 -22.489 1.00 . A A . 42 LYS HG2 1 1 9 5464 1 1 42 LYS HG3 H 10.856 -16.967 -21.841 1.00 . A A . 42 LYS HG3 1 1 9 5465 1 1 42 LYS HZ1 H 7.960 -20.094 -22.791 1.00 . A A . 42 LYS HZ1 1 1 9 5466 1 1 42 LYS HZ2 H 8.793 -19.341 -23.971 1.00 . A A . 42 LYS HZ2 1 1 9 5467 1 1 42 LYS N N 10.727 -14.066 -19.035 1.00 . A A . 42 LYS N 1 1 9 5468 1 1 42 LYS NZ N 8.896 -19.875 -23.114 1.00 . A A . 42 LYS NZ 1 1 9 5469 1 1 42 LYS O O 10.570 -12.882 -21.479 1.00 . A A . 42 LYS O 1 1 9 5470 1 1 43 LYS C C 10.828 -13.849 -24.537 1.00 . A A . 43 LYS C 1 1 9 5471 1 1 43 LYS CA C 12.066 -13.786 -23.640 1.00 . A A . 43 LYS CA 1 1 9 5472 1 1 43 LYS CB C 13.341 -14.294 -24.316 1.00 . A A . 43 LYS CB 1 1 9 5473 1 1 43 LYS CD C 15.519 -13.637 -25.406 1.00 . A A . 43 LYS CD 1 1 9 5474 1 1 43 LYS CE C 16.602 -13.996 -24.387 1.00 . A A . 43 LYS CE 1 1 9 5475 1 1 43 LYS CG C 14.255 -13.131 -24.707 1.00 . A A . 43 LYS CG 1 1 9 5476 1 1 43 LYS H H 12.222 -15.435 -22.377 1.00 . A A . 43 LYS H 1 1 9 5477 1 1 43 LYS HA H 12.240 -12.746 -23.364 1.00 . A A . 43 LYS HA 1 1 9 5478 1 1 43 LYS HB2 H 13.871 -14.966 -23.640 1.00 . A A . 43 LYS HB2 1 1 9 5479 1 1 43 LYS HB3 H 13.082 -14.872 -25.202 1.00 . A A . 43 LYS HB3 1 1 9 5480 1 1 43 LYS HD2 H 15.278 -14.513 -26.009 1.00 . A A . 43 LYS HD2 1 1 9 5481 1 1 43 LYS HD3 H 15.893 -12.874 -26.087 1.00 . A A . 43 LYS HD3 1 1 9 5482 1 1 43 LYS HE2 H 17.068 -13.086 -24.007 1.00 . A A . 43 LYS HE2 1 1 9 5483 1 1 43 LYS HE3 H 16.153 -14.503 -23.532 1.00 . A A . 43 LYS HE3 1 1 9 5484 1 1 43 LYS HG2 H 13.719 -12.450 -25.367 1.00 . A A . 43 LYS HG2 1 1 9 5485 1 1 43 LYS HG3 H 14.530 -12.563 -23.818 1.00 . A A . 43 LYS HG3 1 1 9 5486 1 1 43 LYS HZ1 H 17.912 -15.617 -24.386 1.00 . A A . 43 LYS HZ1 1 1 9 5487 1 1 43 LYS HZ2 H 17.294 -15.299 -25.859 1.00 . A A . 43 LYS HZ2 1 1 9 5488 1 1 43 LYS N N 11.809 -14.524 -22.415 1.00 . A A . 43 LYS N 1 1 9 5489 1 1 43 LYS NZ N 17.628 -14.865 -25.005 1.00 . A A . 43 LYS NZ 1 1 9 5490 1 1 43 LYS O O 10.868 -13.416 -25.688 1.00 . A A . 43 LYS O 1 1 10 5491 1 1 1 GLY C C 3.659 1.577 -0.341 1.00 . A A . 1 GLY C 1 1 10 5492 1 1 1 GLY CA C 2.262 1.328 -0.912 1.00 . A A . 1 GLY CA 1 1 10 5493 1 1 1 GLY H1 H 1.103 -0.242 -0.186 1.00 . A A . 1 GLY H1 1 1 10 5494 1 1 1 GLY HA2 H 2.238 1.619 -1.962 1.00 . A A . 1 GLY HA2 1 1 10 5495 1 1 1 GLY HA3 H 1.537 1.953 -0.392 1.00 . A A . 1 GLY HA3 1 1 10 5496 1 1 1 GLY N N 1.888 -0.069 -0.781 1.00 . A A . 1 GLY N 1 1 10 5497 1 1 1 GLY O O 3.799 2.079 0.773 1.00 . A A . 1 GLY O 1 1 10 5498 1 1 2 PHE C C 6.398 2.877 -0.618 1.00 . A A . 2 PHE C 1 1 10 5499 1 1 2 PHE CA C 6.041 1.393 -0.717 1.00 . A A . 2 PHE CA 1 1 10 5500 1 1 2 PHE CB C 6.917 0.741 -1.789 1.00 . A A . 2 PHE CB 1 1 10 5501 1 1 2 PHE CD1 C 7.782 -1.456 -0.954 1.00 . A A . 2 PHE CD1 1 1 10 5502 1 1 2 PHE CD2 C 9.267 0.372 -1.008 1.00 . A A . 2 PHE CD2 1 1 10 5503 1 1 2 PHE CE1 C 8.815 -2.280 -0.435 1.00 . A A . 2 PHE CE1 1 1 10 5504 1 1 2 PHE CE2 C 10.300 -0.452 -0.489 1.00 . A A . 2 PHE CE2 1 1 10 5505 1 1 2 PHE CG C 8.029 -0.148 -1.230 1.00 . A A . 2 PHE CG 1 1 10 5506 1 1 2 PHE CZ C 10.052 -1.761 -0.213 1.00 . A A . 2 PHE CZ 1 1 10 5507 1 1 2 PHE H H 4.539 0.808 -2.036 1.00 . A A . 2 PHE H 1 1 10 5508 1 1 2 PHE HA H 6.148 0.929 0.264 1.00 . A A . 2 PHE HA 1 1 10 5509 1 1 2 PHE HB2 H 6.284 0.143 -2.447 1.00 . A A . 2 PHE HB2 1 1 10 5510 1 1 2 PHE HB3 H 7.364 1.522 -2.404 1.00 . A A . 2 PHE HB3 1 1 10 5511 1 1 2 PHE HD1 H 6.790 -1.872 -1.132 1.00 . A A . 2 PHE HD1 1 1 10 5512 1 1 2 PHE HD2 H 9.466 1.420 -1.229 1.00 . A A . 2 PHE HD2 1 1 10 5513 1 1 2 PHE HE1 H 8.616 -3.329 -0.214 1.00 . A A . 2 PHE HE1 1 1 10 5514 1 1 2 PHE HE2 H 11.292 -0.036 -0.311 1.00 . A A . 2 PHE HE2 1 1 10 5515 1 1 2 PHE HZ H 10.845 -2.394 0.186 1.00 . A A . 2 PHE HZ 1 1 10 5516 1 1 2 PHE N N 4.660 1.215 -1.130 1.00 . A A . 2 PHE N 1 1 10 5517 1 1 2 PHE O O 7.091 3.293 0.309 1.00 . A A . 2 PHE O 1 1 10 5518 1 1 3 GLY C C 4.860 5.860 -1.562 1.00 . A A . 3 GLY C 1 1 10 5519 1 1 3 GLY CA C 6.167 5.066 -1.622 1.00 . A A . 3 GLY CA 1 1 10 5520 1 1 3 GLY H H 5.346 3.291 -2.339 1.00 . A A . 3 GLY H 1 1 10 5521 1 1 3 GLY HA2 H 6.804 5.344 -0.783 1.00 . A A . 3 GLY HA2 1 1 10 5522 1 1 3 GLY HA3 H 6.709 5.320 -2.532 1.00 . A A . 3 GLY HA3 1 1 10 5523 1 1 3 GLY N N 5.908 3.637 -1.588 1.00 . A A . 3 GLY N 1 1 10 5524 1 1 3 GLY O O 4.820 6.953 -1.000 1.00 . A A . 3 GLY O 1 1 10 5525 1 1 4 CYS C C 1.938 5.869 -0.755 1.00 . A A . 4 CYS C 1 1 10 5526 1 1 4 CYS CA C 2.520 5.919 -2.169 1.00 . A A . 4 CYS CA 1 1 10 5527 1 1 4 CYS CB C 1.588 5.272 -3.194 1.00 . A A . 4 CYS CB 1 1 10 5528 1 1 4 CYS H H 3.866 4.390 -2.604 1.00 . A A . 4 CYS H 1 1 10 5529 1 1 4 CYS HA H 2.682 6.951 -2.484 1.00 . A A . 4 CYS HA 1 1 10 5530 1 1 4 CYS HB2 H 1.852 4.219 -3.291 1.00 . A A . 4 CYS HB2 1 1 10 5531 1 1 4 CYS HB3 H 0.567 5.310 -2.812 1.00 . A A . 4 CYS HB3 1 1 10 5532 1 1 4 CYS N N 3.825 5.280 -2.149 1.00 . A A . 4 CYS N 1 1 10 5533 1 1 4 CYS O O 2.353 5.048 0.061 1.00 . A A . 4 CYS O 1 1 10 5534 1 1 4 CYS SG S 1.622 6.038 -4.855 1.00 . A A . 4 CYS SG 1 1 10 5535 1 1 5 PRO C C 1.558 8.827 -1.725 1.00 . A A . 5 PRO C 1 1 10 5536 1 1 5 PRO CA C 0.526 7.715 -1.527 1.00 . A A . 5 PRO CA 1 1 10 5537 1 1 5 PRO CB C -0.819 8.232 -1.043 1.00 . A A . 5 PRO CB 1 1 10 5538 1 1 5 PRO CD C 0.242 6.940 0.758 1.00 . A A . 5 PRO CD 1 1 10 5539 1 1 5 PRO CG C -0.874 7.924 0.444 1.00 . A A . 5 PRO CG 1 1 10 5540 1 1 5 PRO HA H 0.450 7.252 -2.410 1.00 . A A . 5 PRO HA 1 1 10 5541 1 1 5 PRO HB2 H -0.914 9.302 -1.225 1.00 . A A . 5 PRO HB2 1 1 10 5542 1 1 5 PRO HB3 H -1.638 7.745 -1.574 1.00 . A A . 5 PRO HB3 1 1 10 5543 1 1 5 PRO HD2 H 0.898 7.322 1.540 1.00 . A A . 5 PRO HD2 1 1 10 5544 1 1 5 PRO HD3 H -0.156 5.990 1.112 1.00 . A A . 5 PRO HD3 1 1 10 5545 1 1 5 PRO HG2 H -0.754 8.837 1.027 1.00 . A A . 5 PRO HG2 1 1 10 5546 1 1 5 PRO HG3 H -1.842 7.501 0.711 1.00 . A A . 5 PRO HG3 1 1 10 5547 1 1 5 PRO N N 0.959 6.778 -0.504 1.00 . A A . 5 PRO N 1 1 10 5548 1 1 5 PRO O O 2.369 9.091 -0.839 1.00 . A A . 5 PRO O 1 1 10 5549 1 1 6 GLY C C 3.797 9.979 -3.571 1.00 . A A . 6 GLY C 1 1 10 5550 1 1 6 GLY CA C 2.413 10.527 -3.218 1.00 . A A . 6 GLY CA 1 1 10 5551 1 1 6 GLY H H 0.831 9.228 -3.609 1.00 . A A . 6 GLY H 1 1 10 5552 1 1 6 GLY HA2 H 2.021 11.103 -4.057 1.00 . A A . 6 GLY HA2 1 1 10 5553 1 1 6 GLY HA3 H 2.492 11.210 -2.372 1.00 . A A . 6 GLY HA3 1 1 10 5554 1 1 6 GLY N N 1.493 9.449 -2.893 1.00 . A A . 6 GLY N 1 1 10 5555 1 1 6 GLY O O 4.806 10.449 -3.048 1.00 . A A . 6 GLY O 1 1 10 5556 1 1 7 ASN C C 4.731 7.172 -5.776 1.00 . A A . 7 ASN C 1 1 10 5557 1 1 7 ASN CA C 5.044 8.377 -4.885 1.00 . A A . 7 ASN CA 1 1 10 5558 1 1 7 ASN CB C 5.855 7.879 -3.686 1.00 . A A . 7 ASN CB 1 1 10 5559 1 1 7 ASN CG C 7.339 8.208 -3.853 1.00 . A A . 7 ASN CG 1 1 10 5560 1 1 7 ASN H H 2.975 8.616 -4.877 1.00 . A A . 7 ASN H 1 1 10 5561 1 1 7 ASN HA H 5.584 9.160 -5.417 1.00 . A A . 7 ASN HA 1 1 10 5562 1 1 7 ASN HB2 H 5.477 8.338 -2.772 1.00 . A A . 7 ASN HB2 1 1 10 5563 1 1 7 ASN HB3 H 5.727 6.802 -3.578 1.00 . A A . 7 ASN HB3 1 1 10 5564 1 1 7 ASN HD21 H 7.536 8.124 -1.840 1.00 . A A . 7 ASN HD21 1 1 10 5565 1 1 7 ASN HD22 H 8.987 8.490 -2.711 1.00 . A A . 7 ASN HD22 1 1 10 5566 1 1 7 ASN N N 3.800 8.993 -4.456 1.00 . A A . 7 ASN N 1 1 10 5567 1 1 7 ASN ND2 N 8.009 8.280 -2.707 1.00 . A A . 7 ASN ND2 1 1 10 5568 1 1 7 ASN O O 4.787 6.030 -5.324 1.00 . A A . 7 ASN O 1 1 10 5569 1 1 7 ASN OD1 O 7.843 8.385 -4.950 1.00 . A A . 7 ASN OD1 1 1 10 5570 1 1 8 GLN C C 5.347 5.981 -8.728 1.00 . A A . 8 GLN C 1 1 10 5571 1 1 8 GLN CA C 4.086 6.427 -7.984 1.00 . A A . 8 GLN CA 1 1 10 5572 1 1 8 GLN CB C 3.009 6.895 -8.964 1.00 . A A . 8 GLN CB 1 1 10 5573 1 1 8 GLN CD C 1.877 6.377 -11.157 1.00 . A A . 8 GLN CD 1 1 10 5574 1 1 8 GLN CG C 2.697 5.811 -9.997 1.00 . A A . 8 GLN CG 1 1 10 5575 1 1 8 GLN H H 4.365 8.402 -7.386 1.00 . A A . 8 GLN H 1 1 10 5576 1 1 8 GLN HA H 3.695 5.601 -7.392 1.00 . A A . 8 GLN HA 1 1 10 5577 1 1 8 GLN HB2 H 2.103 7.154 -8.417 1.00 . A A . 8 GLN HB2 1 1 10 5578 1 1 8 GLN HB3 H 3.343 7.800 -9.472 1.00 . A A . 8 GLN HB3 1 1 10 5579 1 1 8 GLN HE21 H 3.304 5.711 -12.429 1.00 . A A . 8 GLN HE21 1 1 10 5580 1 1 8 GLN HE22 H 1.968 6.523 -13.175 1.00 . A A . 8 GLN HE22 1 1 10 5581 1 1 8 GLN HG2 H 3.627 5.387 -10.376 1.00 . A A . 8 GLN HG2 1 1 10 5582 1 1 8 GLN HG3 H 2.148 4.998 -9.522 1.00 . A A . 8 GLN HG3 1 1 10 5583 1 1 8 GLN N N 4.409 7.470 -7.026 1.00 . A A . 8 GLN N 1 1 10 5584 1 1 8 GLN NE2 N 2.428 6.188 -12.352 1.00 . A A . 8 GLN NE2 1 1 10 5585 1 1 8 GLN O O 5.420 4.854 -9.215 1.00 . A A . 8 GLN O 1 1 10 5586 1 1 8 GLN OE1 O 0.814 6.950 -10.979 1.00 . A A . 8 GLN OE1 1 1 10 5587 1 1 9 LEU C C 8.396 5.649 -8.608 1.00 . A A . 9 LEU C 1 1 10 5588 1 1 9 LEU CA C 7.565 6.604 -9.467 1.00 . A A . 9 LEU CA 1 1 10 5589 1 1 9 LEU CB C 8.291 7.904 -9.820 1.00 . A A . 9 LEU CB 1 1 10 5590 1 1 9 LEU CD1 C 10.463 8.980 -9.127 1.00 . A A . 9 LEU CD1 1 1 10 5591 1 1 9 LEU CD2 C 8.273 9.759 -8.111 1.00 . A A . 9 LEU CD2 1 1 10 5592 1 1 9 LEU CG C 9.058 8.575 -8.678 1.00 . A A . 9 LEU CG 1 1 10 5593 1 1 9 LEU H H 6.244 7.804 -8.392 1.00 . A A . 9 LEU H 1 1 10 5594 1 1 9 LEU HA H 7.324 6.105 -10.405 1.00 . A A . 9 LEU HA 1 1 10 5595 1 1 9 LEU HB2 H 8.990 7.698 -10.629 1.00 . A A . 9 LEU HB2 1 1 10 5596 1 1 9 LEU HB3 H 7.558 8.614 -10.204 1.00 . A A . 9 LEU HB3 1 1 10 5597 1 1 9 LEU HD11 H 10.424 9.962 -9.601 1.00 . A A . 9 LEU HD11 1 1 10 5598 1 1 9 LEU HD12 H 11.123 9.022 -8.261 1.00 . A A . 9 LEU HD12 1 1 10 5599 1 1 9 LEU HD13 H 10.843 8.248 -9.839 1.00 . A A . 9 LEU HD13 1 1 10 5600 1 1 9 LEU HD21 H 8.506 9.875 -7.053 1.00 . A A . 9 LEU HD21 1 1 10 5601 1 1 9 LEU HD22 H 8.549 10.668 -8.646 1.00 . A A . 9 LEU HD22 1 1 10 5602 1 1 9 LEU HD23 H 7.205 9.577 -8.231 1.00 . A A . 9 LEU HD23 1 1 10 5603 1 1 9 LEU HG H 9.174 7.850 -7.873 1.00 . A A . 9 LEU HG 1 1 10 5604 1 1 9 LEU N N 6.310 6.889 -8.791 1.00 . A A . 9 LEU N 1 1 10 5605 1 1 9 LEU O O 9.231 4.910 -9.126 1.00 . A A . 9 LEU O 1 1 10 5606 1 1 10 LYS C C 8.408 3.392 -6.571 1.00 . A A . 10 LYS C 1 1 10 5607 1 1 10 LYS CA C 8.852 4.843 -6.374 1.00 . A A . 10 LYS CA 1 1 10 5608 1 1 10 LYS CB C 8.673 5.352 -4.941 1.00 . A A . 10 LYS CB 1 1 10 5609 1 1 10 LYS CD C 10.157 5.913 -2.982 1.00 . A A . 10 LYS CD 1 1 10 5610 1 1 10 LYS CE C 11.572 6.347 -2.594 1.00 . A A . 10 LYS CE 1 1 10 5611 1 1 10 LYS CG C 9.909 6.126 -4.476 1.00 . A A . 10 LYS CG 1 1 10 5612 1 1 10 LYS H H 7.457 6.300 -6.895 1.00 . A A . 10 LYS H 1 1 10 5613 1 1 10 LYS HA H 9.913 4.916 -6.611 1.00 . A A . 10 LYS HA 1 1 10 5614 1 1 10 LYS HB2 H 7.794 5.995 -4.887 1.00 . A A . 10 LYS HB2 1 1 10 5615 1 1 10 LYS HB3 H 8.493 4.511 -4.273 1.00 . A A . 10 LYS HB3 1 1 10 5616 1 1 10 LYS HD2 H 9.428 6.480 -2.403 1.00 . A A . 10 LYS HD2 1 1 10 5617 1 1 10 LYS HD3 H 10.014 4.861 -2.731 1.00 . A A . 10 LYS HD3 1 1 10 5618 1 1 10 LYS HE2 H 11.927 5.745 -1.758 1.00 . A A . 10 LYS HE2 1 1 10 5619 1 1 10 LYS HE3 H 12.254 6.170 -3.426 1.00 . A A . 10 LYS HE3 1 1 10 5620 1 1 10 LYS HG2 H 10.780 5.800 -5.044 1.00 . A A . 10 LYS HG2 1 1 10 5621 1 1 10 LYS HG3 H 9.774 7.189 -4.679 1.00 . A A . 10 LYS HG3 1 1 10 5622 1 1 10 LYS HZ1 H 10.959 8.329 -2.796 1.00 . A A . 10 LYS HZ1 1 1 10 5623 1 1 10 LYS HZ2 H 11.319 7.927 -1.259 1.00 . A A . 10 LYS HZ2 1 1 10 5624 1 1 10 LYS N N 8.138 5.696 -7.309 1.00 . A A . 10 LYS N 1 1 10 5625 1 1 10 LYS NZ N 11.591 7.780 -2.225 1.00 . A A . 10 LYS NZ 1 1 10 5626 1 1 10 LYS O O 9.168 2.464 -6.298 1.00 . A A . 10 LYS O 1 1 10 5627 1 1 11 CYS C C 7.299 1.333 -8.523 1.00 . A A . 11 CYS C 1 1 10 5628 1 1 11 CYS CA C 6.626 1.920 -7.281 1.00 . A A . 11 CYS CA 1 1 10 5629 1 1 11 CYS CB C 5.104 1.962 -7.423 1.00 . A A . 11 CYS CB 1 1 10 5630 1 1 11 CYS H H 6.568 4.003 -7.264 1.00 . A A . 11 CYS H 1 1 10 5631 1 1 11 CYS HA H 6.853 1.322 -6.399 1.00 . A A . 11 CYS HA 1 1 10 5632 1 1 11 CYS HB2 H 4.850 2.541 -8.312 1.00 . A A . 11 CYS HB2 1 1 10 5633 1 1 11 CYS HB3 H 4.740 0.948 -7.590 1.00 . A A . 11 CYS HB3 1 1 10 5634 1 1 11 CYS N N 7.180 3.242 -7.045 1.00 . A A . 11 CYS N 1 1 10 5635 1 1 11 CYS O O 7.529 0.127 -8.598 1.00 . A A . 11 CYS O 1 1 10 5636 1 1 11 CYS SG S 4.218 2.674 -5.989 1.00 . A A . 11 CYS SG 1 1 10 5637 1 1 12 ASN C C 9.702 1.449 -10.421 1.00 . A A . 12 ASN C 1 1 10 5638 1 1 12 ASN CA C 8.239 1.797 -10.704 1.00 . A A . 12 ASN CA 1 1 10 5639 1 1 12 ASN CB C 8.213 2.919 -11.743 1.00 . A A . 12 ASN CB 1 1 10 5640 1 1 12 ASN CG C 9.084 2.568 -12.951 1.00 . A A . 12 ASN CG 1 1 10 5641 1 1 12 ASN H H 7.407 3.192 -9.400 1.00 . A A . 12 ASN H 1 1 10 5642 1 1 12 ASN HA H 7.664 0.938 -11.049 1.00 . A A . 12 ASN HA 1 1 10 5643 1 1 12 ASN HB2 H 7.188 3.096 -12.068 1.00 . A A . 12 ASN HB2 1 1 10 5644 1 1 12 ASN HB3 H 8.568 3.847 -11.291 1.00 . A A . 12 ASN HB3 1 1 10 5645 1 1 12 ASN HD21 H 9.002 4.511 -13.515 1.00 . A A . 12 ASN HD21 1 1 10 5646 1 1 12 ASN HD22 H 9.922 3.476 -14.555 1.00 . A A . 12 ASN HD22 1 1 10 5647 1 1 12 ASN N N 7.597 2.213 -9.468 1.00 . A A . 12 ASN N 1 1 10 5648 1 1 12 ASN ND2 N 9.359 3.604 -13.739 1.00 . A A . 12 ASN ND2 1 1 10 5649 1 1 12 ASN O O 10.179 0.388 -10.822 1.00 . A A . 12 ASN O 1 1 10 5650 1 1 12 ASN OD1 O 9.479 1.432 -13.154 1.00 . A A . 12 ASN OD1 1 1 10 5651 1 1 13 ASN C C 11.906 0.911 -8.523 1.00 . A A . 13 ASN C 1 1 10 5652 1 1 13 ASN CA C 11.770 2.163 -9.390 1.00 . A A . 13 ASN CA 1 1 10 5653 1 1 13 ASN CB C 12.317 3.350 -8.596 1.00 . A A . 13 ASN CB 1 1 10 5654 1 1 13 ASN CG C 11.913 4.677 -9.245 1.00 . A A . 13 ASN CG 1 1 10 5655 1 1 13 ASN H H 9.976 3.221 -9.409 1.00 . A A . 13 ASN H 1 1 10 5656 1 1 13 ASN HA H 12.287 2.067 -10.345 1.00 . A A . 13 ASN HA 1 1 10 5657 1 1 13 ASN HB2 H 11.940 3.313 -7.574 1.00 . A A . 13 ASN HB2 1 1 10 5658 1 1 13 ASN HB3 H 13.403 3.285 -8.539 1.00 . A A . 13 ASN HB3 1 1 10 5659 1 1 13 ASN HD21 H 11.643 5.446 -7.392 1.00 . A A . 13 ASN HD21 1 1 10 5660 1 1 13 ASN HD22 H 11.324 6.535 -8.701 1.00 . A A . 13 ASN HD22 1 1 10 5661 1 1 13 ASN N N 10.371 2.361 -9.732 1.00 . A A . 13 ASN N 1 1 10 5662 1 1 13 ASN ND2 N 11.601 5.631 -8.373 1.00 . A A . 13 ASN ND2 1 1 10 5663 1 1 13 ASN O O 12.928 0.227 -8.569 1.00 . A A . 13 ASN O 1 1 10 5664 1 1 13 ASN OD1 O 11.887 4.822 -10.456 1.00 . A A . 13 ASN OD1 1 1 10 5665 1 1 14 HIS C C 10.709 -1.786 -7.709 1.00 . A A . 14 HIS C 1 1 10 5666 1 1 14 HIS CA C 10.851 -0.511 -6.874 1.00 . A A . 14 HIS CA 1 1 10 5667 1 1 14 HIS CB C 9.763 -0.376 -5.808 1.00 . A A . 14 HIS CB 1 1 10 5668 1 1 14 HIS CD2 C 8.337 -2.528 -5.391 1.00 . A A . 14 HIS CD2 1 1 10 5669 1 1 14 HIS CE1 C 9.525 -3.378 -3.764 1.00 . A A . 14 HIS CE1 1 1 10 5670 1 1 14 HIS CG C 9.380 -1.682 -5.152 1.00 . A A . 14 HIS CG 1 1 10 5671 1 1 14 HIS H H 10.034 1.208 -7.720 1.00 . A A . 14 HIS H 1 1 10 5672 1 1 14 HIS HA H 11.816 -0.527 -6.365 1.00 . A A . 14 HIS HA 1 1 10 5673 1 1 14 HIS HB2 H 10.105 0.318 -5.040 1.00 . A A . 14 HIS HB2 1 1 10 5674 1 1 14 HIS HB3 H 8.875 0.064 -6.263 1.00 . A A . 14 HIS HB3 1 1 10 5675 1 1 14 HIS HD1 H 10.941 -1.863 -3.715 1.00 . A A . 14 HIS HD1 1 1 10 5676 1 1 14 HIS HD2 H 7.561 -2.384 -6.143 1.00 . A A . 14 HIS HD2 1 1 10 5677 1 1 14 HIS HE1 H 9.863 -4.054 -2.977 1.00 . A A . 14 HIS HE1 1 1 10 5678 1 1 14 HIS N N 10.862 0.647 -7.751 1.00 . A A . 14 HIS N 1 1 10 5679 1 1 14 HIS ND1 N 10.111 -2.245 -4.121 1.00 . A A . 14 HIS ND1 1 1 10 5680 1 1 14 HIS NE2 N 8.426 -3.552 -4.552 1.00 . A A . 14 HIS NE2 1 1 10 5681 1 1 14 HIS O O 11.506 -2.713 -7.573 1.00 . A A . 14 HIS O 1 1 10 5682 1 1 15 CYS C C 10.646 -3.137 -10.321 1.00 . A A . 15 CYS C 1 1 10 5683 1 1 15 CYS CA C 9.433 -2.935 -9.411 1.00 . A A . 15 CYS CA 1 1 10 5684 1 1 15 CYS CB C 8.141 -2.765 -10.212 1.00 . A A . 15 CYS CB 1 1 10 5685 1 1 15 CYS H H 9.046 -1.032 -8.659 1.00 . A A . 15 CYS H 1 1 10 5686 1 1 15 CYS HA H 9.296 -3.794 -8.753 1.00 . A A . 15 CYS HA 1 1 10 5687 1 1 15 CYS HB2 H 8.268 -1.935 -10.908 1.00 . A A . 15 CYS HB2 1 1 10 5688 1 1 15 CYS HB3 H 7.980 -3.660 -10.812 1.00 . A A . 15 CYS HB3 1 1 10 5689 1 1 15 CYS N N 9.690 -1.790 -8.554 1.00 . A A . 15 CYS N 1 1 10 5690 1 1 15 CYS O O 10.857 -4.229 -10.848 1.00 . A A . 15 CYS O 1 1 10 5691 1 1 15 CYS SG S 6.646 -2.458 -9.202 1.00 . A A . 15 CYS SG 1 1 10 5692 1 1 16 LYS C C 13.761 -2.708 -10.512 1.00 . A A . 16 LYS C 1 1 10 5693 1 1 16 LYS CA C 12.600 -2.114 -11.313 1.00 . A A . 16 LYS CA 1 1 10 5694 1 1 16 LYS CB C 12.899 -0.730 -11.894 1.00 . A A . 16 LYS CB 1 1 10 5695 1 1 16 LYS CD C 14.794 0.272 -10.566 1.00 . A A . 16 LYS CD 1 1 10 5696 1 1 16 LYS CE C 16.152 0.963 -10.707 1.00 . A A . 16 LYS CE 1 1 10 5697 1 1 16 LYS CG C 14.401 -0.435 -11.864 1.00 . A A . 16 LYS CG 1 1 10 5698 1 1 16 LYS H H 11.234 -1.184 -10.043 1.00 . A A . 16 LYS H 1 1 10 5699 1 1 16 LYS HA H 12.383 -2.775 -12.151 1.00 . A A . 16 LYS HA 1 1 10 5700 1 1 16 LYS HB2 H 12.535 -0.676 -12.920 1.00 . A A . 16 LYS HB2 1 1 10 5701 1 1 16 LYS HB3 H 12.364 0.030 -11.326 1.00 . A A . 16 LYS HB3 1 1 10 5702 1 1 16 LYS HD2 H 14.034 1.008 -10.303 1.00 . A A . 16 LYS HD2 1 1 10 5703 1 1 16 LYS HD3 H 14.833 -0.451 -9.751 1.00 . A A . 16 LYS HD3 1 1 10 5704 1 1 16 LYS HE2 H 16.310 1.641 -9.870 1.00 . A A . 16 LYS HE2 1 1 10 5705 1 1 16 LYS HE3 H 16.949 0.221 -10.671 1.00 . A A . 16 LYS HE3 1 1 10 5706 1 1 16 LYS HG2 H 14.959 -1.366 -11.958 1.00 . A A . 16 LYS HG2 1 1 10 5707 1 1 16 LYS HG3 H 14.670 0.186 -12.717 1.00 . A A . 16 LYS HG3 1 1 10 5708 1 1 16 LYS HZ1 H 16.635 2.630 -11.860 1.00 . A A . 16 LYS HZ1 1 1 10 5709 1 1 16 LYS HZ2 H 16.778 1.230 -12.677 1.00 . A A . 16 LYS HZ2 1 1 10 5710 1 1 16 LYS N N 11.413 -2.068 -10.476 1.00 . A A . 16 LYS N 1 1 10 5711 1 1 16 LYS NZ N 16.220 1.713 -11.982 1.00 . A A . 16 LYS NZ 1 1 10 5712 1 1 16 LYS O O 14.598 -3.421 -11.062 1.00 . A A . 16 LYS O 1 1 10 5713 1 1 17 SER C C 14.656 -4.395 -8.138 1.00 . A A . 17 SER C 1 1 10 5714 1 1 17 SER CA C 14.816 -2.887 -8.344 1.00 . A A . 17 SER CA 1 1 10 5715 1 1 17 SER CB C 14.789 -2.162 -6.997 1.00 . A A . 17 SER CB 1 1 10 5716 1 1 17 SER H H 13.088 -1.812 -8.785 1.00 . A A . 17 SER H 1 1 10 5717 1 1 17 SER HA H 15.754 -2.668 -8.856 1.00 . A A . 17 SER HA 1 1 10 5718 1 1 17 SER HB2 H 14.533 -1.114 -7.155 1.00 . A A . 17 SER HB2 1 1 10 5719 1 1 17 SER HB3 H 14.007 -2.591 -6.370 1.00 . A A . 17 SER HB3 1 1 10 5720 1 1 17 SER HG H 16.742 -1.756 -6.835 1.00 . A A . 17 SER HG 1 1 10 5721 1 1 17 SER N N 13.773 -2.393 -9.225 1.00 . A A . 17 SER N 1 1 10 5722 1 1 17 SER O O 15.645 -5.112 -7.988 1.00 . A A . 17 SER O 1 1 10 5723 1 1 17 SER OG O 16.040 -2.247 -6.319 1.00 . A A . 17 SER OG 1 1 10 5724 1 1 18 ILE C C 13.339 -6.984 -9.269 1.00 . A A . 18 ILE C 1 1 10 5725 1 1 18 ILE CA C 13.104 -6.240 -7.952 1.00 . A A . 18 ILE CA 1 1 10 5726 1 1 18 ILE CB C 11.693 -6.417 -7.389 1.00 . A A . 18 ILE CB 1 1 10 5727 1 1 18 ILE CD1 C 9.247 -5.947 -7.783 1.00 . A A . 18 ILE CD1 1 1 10 5728 1 1 18 ILE CG1 C 10.637 -6.011 -8.419 1.00 . A A . 18 ILE CG1 1 1 10 5729 1 1 18 ILE CG2 C 11.529 -5.657 -6.071 1.00 . A A . 18 ILE CG2 1 1 10 5730 1 1 18 ILE H H 12.608 -4.240 -8.260 1.00 . A A . 18 ILE H 1 1 10 5731 1 1 18 ILE HA H 13.799 -6.628 -7.207 1.00 . A A . 18 ILE HA 1 1 10 5732 1 1 18 ILE HB H 11.541 -7.474 -7.172 1.00 . A A . 18 ILE HB 1 1 10 5733 1 1 18 ILE HD11 H 9.197 -5.095 -7.105 1.00 . A A . 18 ILE HD11 1 1 10 5734 1 1 18 ILE HD12 H 8.494 -5.833 -8.564 1.00 . A A . 18 ILE HD12 1 1 10 5735 1 1 18 ILE HD13 H 9.058 -6.866 -7.228 1.00 . A A . 18 ILE HD13 1 1 10 5736 1 1 18 ILE HG12 H 10.891 -5.040 -8.843 1.00 . A A . 18 ILE HG12 1 1 10 5737 1 1 18 ILE HG13 H 10.631 -6.726 -9.241 1.00 . A A . 18 ILE HG13 1 1 10 5738 1 1 18 ILE HG21 H 11.552 -4.585 -6.264 1.00 . A A . 18 ILE HG21 1 1 10 5739 1 1 18 ILE HG22 H 10.576 -5.923 -5.613 1.00 . A A . 18 ILE HG22 1 1 10 5740 1 1 18 ILE HG23 H 12.343 -5.922 -5.395 1.00 . A A . 18 ILE HG23 1 1 10 5741 1 1 18 ILE N N 13.406 -4.830 -8.137 1.00 . A A . 18 ILE N 1 1 10 5742 1 1 18 ILE O O 14.132 -7.922 -9.322 1.00 . A A . 18 ILE O 1 1 10 5743 1 1 19 SER C C 11.421 -7.061 -12.354 1.00 . A A . 19 SER C 1 1 10 5744 1 1 19 SER CA C 12.756 -7.150 -11.610 1.00 . A A . 19 SER CA 1 1 10 5745 1 1 19 SER CB C 13.204 -8.609 -11.498 1.00 . A A . 19 SER CB 1 1 10 5746 1 1 19 SER H H 11.991 -5.774 -10.245 1.00 . A A . 19 SER H 1 1 10 5747 1 1 19 SER HA H 13.521 -6.574 -12.128 1.00 . A A . 19 SER HA 1 1 10 5748 1 1 19 SER HB2 H 12.795 -9.044 -10.586 1.00 . A A . 19 SER HB2 1 1 10 5749 1 1 19 SER HB3 H 12.798 -9.178 -12.333 1.00 . A A . 19 SER HB3 1 1 10 5750 1 1 19 SER HG H 14.891 -9.648 -11.782 1.00 . A A . 19 SER HG 1 1 10 5751 1 1 19 SER N N 12.634 -6.538 -10.297 1.00 . A A . 19 SER N 1 1 10 5752 1 1 19 SER O O 10.755 -8.073 -12.565 1.00 . A A . 19 SER O 1 1 10 5753 1 1 19 SER OG O 14.624 -8.731 -11.486 1.00 . A A . 19 SER OG 1 1 10 5754 1 1 20 CYS C C 10.081 -4.528 -14.505 1.00 . A A . 20 CYS C 1 1 10 5755 1 1 20 CYS CA C 9.830 -5.605 -13.449 1.00 . A A . 20 CYS CA 1 1 10 5756 1 1 20 CYS CB C 8.693 -5.221 -12.499 1.00 . A A . 20 CYS CB 1 1 10 5757 1 1 20 CYS H H 11.619 -5.022 -12.557 1.00 . A A . 20 CYS H 1 1 10 5758 1 1 20 CYS HA H 9.555 -6.551 -13.917 1.00 . A A . 20 CYS HA 1 1 10 5759 1 1 20 CYS HB2 H 9.057 -5.289 -11.474 1.00 . A A . 20 CYS HB2 1 1 10 5760 1 1 20 CYS HB3 H 8.428 -4.179 -12.676 1.00 . A A . 20 CYS HB3 1 1 10 5761 1 1 20 CYS N N 11.072 -5.840 -12.732 1.00 . A A . 20 CYS N 1 1 10 5762 1 1 20 CYS O O 11.219 -4.309 -14.916 1.00 . A A . 20 CYS O 1 1 10 5763 1 1 20 CYS SG S 7.183 -6.244 -12.656 1.00 . A A . 20 CYS SG 1 1 10 5764 1 1 21 ARG C C 8.635 -1.496 -15.324 1.00 . A A . 21 ARG C 1 1 10 5765 1 1 21 ARG CA C 9.087 -2.833 -15.915 1.00 . A A . 21 ARG CA 1 1 10 5766 1 1 21 ARG CB C 8.223 -3.160 -17.136 1.00 . A A . 21 ARG CB 1 1 10 5767 1 1 21 ARG CD C 9.172 -1.178 -18.371 1.00 . A A . 21 ARG CD 1 1 10 5768 1 1 21 ARG CG C 7.895 -1.896 -17.931 1.00 . A A . 21 ARG CG 1 1 10 5769 1 1 21 ARG CZ C 9.835 0.022 -20.463 1.00 . A A . 21 ARG CZ 1 1 10 5770 1 1 21 ARG H H 8.076 -4.066 -14.576 1.00 . A A . 21 ARG H 1 1 10 5771 1 1 21 ARG HA H 10.139 -2.802 -16.194 1.00 . A A . 21 ARG HA 1 1 10 5772 1 1 21 ARG HB2 H 8.746 -3.871 -17.775 1.00 . A A . 21 ARG HB2 1 1 10 5773 1 1 21 ARG HB3 H 7.300 -3.642 -16.813 1.00 . A A . 21 ARG HB3 1 1 10 5774 1 1 21 ARG HD2 H 9.548 -0.556 -17.558 1.00 . A A . 21 ARG HD2 1 1 10 5775 1 1 21 ARG HD3 H 9.949 -1.907 -18.600 1.00 . A A . 21 ARG HD3 1 1 10 5776 1 1 21 ARG HE H 7.961 -0.024 -19.705 1.00 . A A . 21 ARG HE 1 1 10 5777 1 1 21 ARG HG2 H 7.300 -2.156 -18.806 1.00 . A A . 21 ARG HG2 1 1 10 5778 1 1 21 ARG HG3 H 7.289 -1.226 -17.321 1.00 . A A . 21 ARG HG3 1 1 10 5779 1 1 21 ARG HH11 H 11.378 -0.946 -19.538 1.00 . A A . 21 ARG HH11 1 1 10 5780 1 1 21 ARG HH12 H 11.804 -0.106 -20.991 1.00 . A A . 21 ARG HH12 1 1 10 5781 1 1 21 ARG HH21 H 10.110 1.082 -22.200 1.00 . A A . 21 ARG HH21 1 1 10 5782 1 1 21 ARG N N 8.998 -3.882 -14.915 1.00 . A A . 21 ARG N 1 1 10 5783 1 1 21 ARG NE N 8.899 -0.341 -19.560 1.00 . A A . 21 ARG NE 1 1 10 5784 1 1 21 ARG NH1 N 11.117 -0.378 -20.318 1.00 . A A . 21 ARG NH1 1 1 10 5785 1 1 21 ARG NH2 N 9.479 0.772 -21.489 1.00 . A A . 21 ARG NH2 1 1 10 5786 1 1 21 ARG O O 9.363 -0.508 -15.386 1.00 . A A . 21 ARG O 1 1 10 5787 1 1 22 ALA C C 5.531 -0.648 -13.515 1.00 . A A . 22 ALA C 1 1 10 5788 1 1 22 ALA CA C 6.877 -0.311 -14.160 1.00 . A A . 22 ALA CA 1 1 10 5789 1 1 22 ALA CB C 6.755 0.785 -15.220 1.00 . A A . 22 ALA CB 1 1 10 5790 1 1 22 ALA H H 6.848 -2.318 -14.715 1.00 . A A . 22 ALA H 1 1 10 5791 1 1 22 ALA HA H 7.567 0.024 -13.386 1.00 . A A . 22 ALA HA 1 1 10 5792 1 1 22 ALA HB1 H 6.826 0.339 -16.213 1.00 . A A . 22 ALA HB1 1 1 10 5793 1 1 22 ALA HB2 H 5.794 1.288 -15.115 1.00 . A A . 22 ALA HB2 1 1 10 5794 1 1 22 ALA HB3 H 7.560 1.508 -15.089 1.00 . A A . 22 ALA HB3 1 1 10 5795 1 1 22 ALA N N 7.435 -1.509 -14.762 1.00 . A A . 22 ALA N 1 1 10 5796 1 1 22 ALA O O 4.718 -1.362 -14.101 1.00 . A A . 22 ALA O 1 1 10 5797 1 1 23 GLY C C 3.312 0.942 -11.410 1.00 . A A . 23 GLY C 1 1 10 5798 1 1 23 GLY CA C 4.104 -0.355 -11.584 1.00 . A A . 23 GLY CA 1 1 10 5799 1 1 23 GLY H H 6.003 0.460 -11.845 1.00 . A A . 23 GLY H 1 1 10 5800 1 1 23 GLY HA2 H 3.495 -1.088 -12.116 1.00 . A A . 23 GLY HA2 1 1 10 5801 1 1 23 GLY HA3 H 4.332 -0.780 -10.606 1.00 . A A . 23 GLY HA3 1 1 10 5802 1 1 23 GLY N N 5.337 -0.120 -12.315 1.00 . A A . 23 GLY N 1 1 10 5803 1 1 23 GLY O O 3.616 1.949 -12.049 1.00 . A A . 23 GLY O 1 1 10 5804 1 1 24 TYR C C 0.589 1.799 -9.051 1.00 . A A . 24 TYR C 1 1 10 5805 1 1 24 TYR CA C 1.475 2.034 -10.277 1.00 . A A . 24 TYR CA 1 1 10 5806 1 1 24 TYR CB C 0.585 2.202 -11.509 1.00 . A A . 24 TYR CB 1 1 10 5807 1 1 24 TYR CD1 C -1.495 0.965 -10.806 1.00 . A A . 24 TYR CD1 1 1 10 5808 1 1 24 TYR CD2 C -0.321 0.199 -12.742 1.00 . A A . 24 TYR CD2 1 1 10 5809 1 1 24 TYR CE1 C -2.464 -0.088 -10.979 1.00 . A A . 24 TYR CE1 1 1 10 5810 1 1 24 TYR CE2 C -1.289 -0.854 -12.914 1.00 . A A . 24 TYR CE2 1 1 10 5811 1 1 24 TYR CG C -0.443 1.085 -11.692 1.00 . A A . 24 TYR CG 1 1 10 5812 1 1 24 TYR CZ C -2.313 -0.945 -12.024 1.00 . A A . 24 TYR CZ 1 1 10 5813 1 1 24 TYR H H 2.072 0.053 -10.028 1.00 . A A . 24 TYR H 1 1 10 5814 1 1 24 TYR HA H 2.128 2.885 -10.086 1.00 . A A . 24 TYR HA 1 1 10 5815 1 1 24 TYR HB2 H 0.062 3.156 -11.439 1.00 . A A . 24 TYR HB2 1 1 10 5816 1 1 24 TYR HB3 H 1.217 2.249 -12.397 1.00 . A A . 24 TYR HB3 1 1 10 5817 1 1 24 TYR HD1 H -1.593 1.665 -9.977 1.00 . A A . 24 TYR HD1 1 1 10 5818 1 1 24 TYR HD2 H 0.511 0.294 -13.442 1.00 . A A . 24 TYR HD2 1 1 10 5819 1 1 24 TYR HE1 H -3.299 -0.195 -10.286 1.00 . A A . 24 TYR HE1 1 1 10 5820 1 1 24 TYR HE2 H -1.203 -1.560 -13.740 1.00 . A A . 24 TYR HE2 1 1 10 5821 1 1 24 TYR HH H -2.955 -2.743 -11.659 1.00 . A A . 24 TYR HH 1 1 10 5822 1 1 24 TYR N N 2.313 0.876 -10.542 1.00 . A A . 24 TYR N 1 1 10 5823 1 1 24 TYR O O 0.206 0.666 -8.766 1.00 . A A . 24 TYR O 1 1 10 5824 1 1 24 TYR OH O -3.227 -1.938 -12.186 1.00 . A A . 24 TYR OH 1 1 10 5825 1 1 25 CYS C C -2.005 2.749 -7.614 1.00 . A A . 25 CYS C 1 1 10 5826 1 1 25 CYS CA C -0.542 2.817 -7.172 1.00 . A A . 25 CYS CA 1 1 10 5827 1 1 25 CYS CB C -0.285 3.993 -6.228 1.00 . A A . 25 CYS CB 1 1 10 5828 1 1 25 CYS H H 0.608 3.808 -8.598 1.00 . A A . 25 CYS H 1 1 10 5829 1 1 25 CYS HA H -0.255 1.908 -6.642 1.00 . A A . 25 CYS HA 1 1 10 5830 1 1 25 CYS HB2 H -0.729 4.891 -6.659 1.00 . A A . 25 CYS HB2 1 1 10 5831 1 1 25 CYS HB3 H -0.800 3.805 -5.285 1.00 . A A . 25 CYS HB3 1 1 10 5832 1 1 25 CYS N N 0.291 2.889 -8.360 1.00 . A A . 25 CYS N 1 1 10 5833 1 1 25 CYS O O -2.474 3.613 -8.353 1.00 . A A . 25 CYS O 1 1 10 5834 1 1 25 CYS SG S 1.480 4.324 -5.876 1.00 . A A . 25 CYS SG 1 1 10 5835 1 1 26 ASP C C -4.771 2.886 -7.584 1.00 . A A . 26 ASP C 1 1 10 5836 1 1 26 ASP CA C -4.085 1.522 -7.482 1.00 . A A . 26 ASP CA 1 1 10 5837 1 1 26 ASP CB C -4.806 0.711 -6.404 1.00 . A A . 26 ASP CB 1 1 10 5838 1 1 26 ASP CG C -5.963 -0.153 -6.910 1.00 . A A . 26 ASP CG 1 1 10 5839 1 1 26 ASP H H -2.296 1.016 -6.543 1.00 . A A . 26 ASP H 1 1 10 5840 1 1 26 ASP HA H -4.080 0.985 -8.430 1.00 . A A . 26 ASP HA 1 1 10 5841 1 1 26 ASP HB2 H -4.079 0.065 -5.909 1.00 . A A . 26 ASP HB2 1 1 10 5842 1 1 26 ASP HB3 H -5.188 1.397 -5.648 1.00 . A A . 26 ASP HB3 1 1 10 5843 1 1 26 ASP HD2 H -7.822 -0.219 -7.208 1.00 . A A . 26 ASP HD2 1 1 10 5844 1 1 26 ASP N N -2.685 1.714 -7.144 1.00 . A A . 26 ASP N 1 1 10 5845 1 1 26 ASP O O -5.060 3.518 -6.570 1.00 . A A . 26 ASP O 1 1 10 5846 1 1 26 ASP OD1 O -5.767 -1.305 -7.324 1.00 . A A . 26 ASP OD1 1 1 10 5847 1 1 26 ASP OD2 O -7.123 0.410 -6.866 1.00 . A A . 26 ASP OD2 1 1 10 5848 1 1 27 ALA C C -7.141 4.473 -8.700 1.00 . A A . 27 ALA C 1 1 10 5849 1 1 27 ALA CA C -5.660 4.576 -9.069 1.00 . A A . 27 ALA CA 1 1 10 5850 1 1 27 ALA CB C -5.451 4.978 -10.530 1.00 . A A . 27 ALA CB 1 1 10 5851 1 1 27 ALA H H -4.775 2.779 -9.641 1.00 . A A . 27 ALA H 1 1 10 5852 1 1 27 ALA HA H -5.186 5.319 -8.429 1.00 . A A . 27 ALA HA 1 1 10 5853 1 1 27 ALA HB1 H -6.199 5.718 -10.815 1.00 . A A . 27 ALA HB1 1 1 10 5854 1 1 27 ALA HB2 H -4.455 5.405 -10.650 1.00 . A A . 27 ALA HB2 1 1 10 5855 1 1 27 ALA HB3 H -5.547 4.099 -11.168 1.00 . A A . 27 ALA HB3 1 1 10 5856 1 1 27 ALA N N -5.013 3.299 -8.821 1.00 . A A . 27 ALA N 1 1 10 5857 1 1 27 ALA O O -7.877 5.454 -8.789 1.00 . A A . 27 ALA O 1 1 10 5858 1 1 28 ALA C C -8.992 2.840 -6.393 1.00 . A A . 28 ALA C 1 1 10 5859 1 1 28 ALA CA C -8.915 3.030 -7.909 1.00 . A A . 28 ALA CA 1 1 10 5860 1 1 28 ALA CB C -9.452 1.820 -8.677 1.00 . A A . 28 ALA CB 1 1 10 5861 1 1 28 ALA H H -6.930 2.481 -8.224 1.00 . A A . 28 ALA H 1 1 10 5862 1 1 28 ALA HA H -9.497 3.908 -8.188 1.00 . A A . 28 ALA HA 1 1 10 5863 1 1 28 ALA HB1 H -9.528 2.066 -9.736 1.00 . A A . 28 ALA HB1 1 1 10 5864 1 1 28 ALA HB2 H -8.773 0.978 -8.547 1.00 . A A . 28 ALA HB2 1 1 10 5865 1 1 28 ALA HB3 H -10.437 1.555 -8.294 1.00 . A A . 28 ALA HB3 1 1 10 5866 1 1 28 ALA N N -7.535 3.274 -8.293 1.00 . A A . 28 ALA N 1 1 10 5867 1 1 28 ALA O O -10.012 2.389 -5.873 1.00 . A A . 28 ALA O 1 1 10 5868 1 1 29 THR C C -7.257 4.341 -3.662 1.00 . A A . 29 THR C 1 1 10 5869 1 1 29 THR CA C -7.835 3.068 -4.282 1.00 . A A . 29 THR CA 1 1 10 5870 1 1 29 THR CB C -7.025 1.812 -3.954 1.00 . A A . 29 THR CB 1 1 10 5871 1 1 29 THR CG2 C -5.635 2.137 -3.406 1.00 . A A . 29 THR CG2 1 1 10 5872 1 1 29 THR H H -7.079 3.560 -6.160 1.00 . A A . 29 THR H 1 1 10 5873 1 1 29 THR HA H -8.850 2.958 -3.899 1.00 . A A . 29 THR HA 1 1 10 5874 1 1 29 THR HB H -6.959 1.155 -4.822 1.00 . A A . 29 THR HB 1 1 10 5875 1 1 29 THR HG1 H -7.370 0.313 -2.675 1.00 . A A . 29 THR HG1 1 1 10 5876 1 1 29 THR HG21 H -5.686 2.240 -2.323 1.00 . A A . 29 THR HG21 1 1 10 5877 1 1 29 THR HG22 H -4.945 1.333 -3.664 1.00 . A A . 29 THR HG22 1 1 10 5878 1 1 29 THR HG23 H -5.282 3.072 -3.843 1.00 . A A . 29 THR HG23 1 1 10 5879 1 1 29 THR N N -7.903 3.194 -5.728 1.00 . A A . 29 THR N 1 1 10 5880 1 1 29 THR O O -6.865 4.346 -2.497 1.00 . A A . 29 THR O 1 1 10 5881 1 1 29 THR OG1 O -7.710 1.237 -2.844 1.00 . A A . 29 THR OG1 1 1 10 5882 1 1 30 LEU C C -5.171 6.642 -4.081 1.00 . A A . 30 LEU C 1 1 10 5883 1 1 30 LEU CA C -6.700 6.669 -4.015 1.00 . A A . 30 LEU CA 1 1 10 5884 1 1 30 LEU CB C -7.250 7.011 -2.630 1.00 . A A . 30 LEU CB 1 1 10 5885 1 1 30 LEU CD1 C -9.142 7.009 -0.963 1.00 . A A . 30 LEU CD1 1 1 10 5886 1 1 30 LEU CD2 C -9.589 7.550 -3.401 1.00 . A A . 30 LEU CD2 1 1 10 5887 1 1 30 LEU CG C -8.741 6.743 -2.414 1.00 . A A . 30 LEU CG 1 1 10 5888 1 1 30 LEU H H -7.545 5.380 -5.417 1.00 . A A . 30 LEU H 1 1 10 5889 1 1 30 LEU HA H -7.061 7.434 -4.703 1.00 . A A . 30 LEU HA 1 1 10 5890 1 1 30 LEU HB2 H -6.689 6.442 -1.888 1.00 . A A . 30 LEU HB2 1 1 10 5891 1 1 30 LEU HB3 H -7.058 8.065 -2.434 1.00 . A A . 30 LEU HB3 1 1 10 5892 1 1 30 LEU HD11 H -10.191 7.304 -0.923 1.00 . A A . 30 LEU HD11 1 1 10 5893 1 1 30 LEU HD12 H -8.998 6.104 -0.374 1.00 . A A . 30 LEU HD12 1 1 10 5894 1 1 30 LEU HD13 H -8.524 7.809 -0.556 1.00 . A A . 30 LEU HD13 1 1 10 5895 1 1 30 LEU HD21 H -9.256 7.346 -4.418 1.00 . A A . 30 LEU HD21 1 1 10 5896 1 1 30 LEU HD22 H -10.636 7.264 -3.298 1.00 . A A . 30 LEU HD22 1 1 10 5897 1 1 30 LEU HD23 H -9.481 8.614 -3.188 1.00 . A A . 30 LEU HD23 1 1 10 5898 1 1 30 LEU HG H -8.932 5.689 -2.614 1.00 . A A . 30 LEU HG 1 1 10 5899 1 1 30 LEU N N -7.223 5.392 -4.470 1.00 . A A . 30 LEU N 1 1 10 5900 1 1 30 LEU O O -4.505 7.460 -3.451 1.00 . A A . 30 LEU O 1 1 10 5901 1 1 31 TRP C C -2.619 5.312 -3.620 1.00 . A A . 31 TRP C 1 1 10 5902 1 1 31 TRP CA C -3.224 5.545 -5.005 1.00 . A A . 31 TRP CA 1 1 10 5903 1 1 31 TRP CB C -2.626 6.756 -5.723 1.00 . A A . 31 TRP CB 1 1 10 5904 1 1 31 TRP CD1 C -2.258 6.464 -8.261 1.00 . A A . 31 TRP CD1 1 1 10 5905 1 1 31 TRP CD2 C -4.220 7.364 -7.759 1.00 . A A . 31 TRP CD2 1 1 10 5906 1 1 31 TRP CE2 C -4.150 7.264 -9.134 1.00 . A A . 31 TRP CE2 1 1 10 5907 1 1 31 TRP CE3 C -5.350 7.900 -7.119 1.00 . A A . 31 TRP CE3 1 1 10 5908 1 1 31 TRP CG C -2.992 6.844 -7.206 1.00 . A A . 31 TRP CG 1 1 10 5909 1 1 31 TRP CH2 C -6.318 8.218 -9.369 1.00 . A A . 31 TRP CH2 1 1 10 5910 1 1 31 TRP CZ2 C -5.182 7.680 -9.985 1.00 . A A . 31 TRP CZ2 1 1 10 5911 1 1 31 TRP CZ3 C -6.371 8.313 -7.984 1.00 . A A . 31 TRP CZ3 1 1 10 5912 1 1 31 TRP H H -5.211 5.027 -5.358 1.00 . A A . 31 TRP H 1 1 10 5913 1 1 31 TRP HA H -3.043 4.678 -5.641 1.00 . A A . 31 TRP HA 1 1 10 5914 1 1 31 TRP HB2 H -2.960 7.664 -5.223 1.00 . A A . 31 TRP HB2 1 1 10 5915 1 1 31 TRP HB3 H -1.540 6.722 -5.629 1.00 . A A . 31 TRP HB3 1 1 10 5916 1 1 31 TRP HD1 H -1.264 6.025 -8.190 1.00 . A A . 31 TRP HD1 1 1 10 5917 1 1 31 TRP HE1 H -2.547 6.482 -10.450 1.00 . A A . 31 TRP HE1 1 1 10 5918 1 1 31 TRP HE3 H -5.428 7.991 -6.035 1.00 . A A . 31 TRP HE3 1 1 10 5919 1 1 31 TRP HH2 H -7.157 8.561 -9.974 1.00 . A A . 31 TRP HH2 1 1 10 5920 1 1 31 TRP HZ2 H -5.103 7.591 -11.068 1.00 . A A . 31 TRP HZ2 1 1 10 5921 1 1 31 TRP HZ3 H -7.272 8.736 -7.539 1.00 . A A . 31 TRP HZ3 1 1 10 5922 1 1 31 TRP N N -4.662 5.690 -4.849 1.00 . A A . 31 TRP N 1 1 10 5923 1 1 31 TRP NE1 N -2.921 6.699 -9.449 1.00 . A A . 31 TRP NE1 1 1 10 5924 1 1 31 TRP O O -1.941 6.185 -3.080 1.00 . A A . 31 TRP O 1 1 10 5925 1 1 32 LEU C C -1.432 2.575 -1.904 1.00 . A A . 32 LEU C 1 1 10 5926 1 1 32 LEU CA C -2.376 3.772 -1.771 1.00 . A A . 32 LEU CA 1 1 10 5927 1 1 32 LEU CB C -3.530 3.539 -0.793 1.00 . A A . 32 LEU CB 1 1 10 5928 1 1 32 LEU CD1 C -3.562 5.008 1.256 1.00 . A A . 32 LEU CD1 1 1 10 5929 1 1 32 LEU CD2 C -3.923 6.018 -1.042 1.00 . A A . 32 LEU CD2 1 1 10 5930 1 1 32 LEU CG C -4.126 4.792 -0.149 1.00 . A A . 32 LEU CG 1 1 10 5931 1 1 32 LEU H H -3.439 3.426 -3.529 1.00 . A A . 32 LEU H 1 1 10 5932 1 1 32 LEU HA H -1.805 4.623 -1.398 1.00 . A A . 32 LEU HA 1 1 10 5933 1 1 32 LEU HB2 H -4.325 3.012 -1.319 1.00 . A A . 32 LEU HB2 1 1 10 5934 1 1 32 LEU HB3 H -3.180 2.879 0.000 1.00 . A A . 32 LEU HB3 1 1 10 5935 1 1 32 LEU HD11 H -2.777 4.278 1.449 1.00 . A A . 32 LEU HD11 1 1 10 5936 1 1 32 LEU HD12 H -3.151 6.014 1.333 1.00 . A A . 32 LEU HD12 1 1 10 5937 1 1 32 LEU HD13 H -4.359 4.885 1.990 1.00 . A A . 32 LEU HD13 1 1 10 5938 1 1 32 LEU HD21 H -2.860 6.256 -1.096 1.00 . A A . 32 LEU HD21 1 1 10 5939 1 1 32 LEU HD22 H -4.297 5.804 -2.043 1.00 . A A . 32 LEU HD22 1 1 10 5940 1 1 32 LEU HD23 H -4.463 6.866 -0.624 1.00 . A A . 32 LEU HD23 1 1 10 5941 1 1 32 LEU HG H -5.201 4.645 -0.046 1.00 . A A . 32 LEU HG 1 1 10 5942 1 1 32 LEU N N -2.886 4.130 -3.083 1.00 . A A . 32 LEU N 1 1 10 5943 1 1 32 LEU O O -0.380 2.536 -1.270 1.00 . A A . 32 LEU O 1 1 10 5944 1 1 33 ARG C C 0.057 0.715 -3.978 1.00 . A A . 33 ARG C 1 1 10 5945 1 1 33 ARG CA C -1.049 0.432 -2.958 1.00 . A A . 33 ARG CA 1 1 10 5946 1 1 33 ARG CB C -1.918 -0.720 -3.466 1.00 . A A . 33 ARG CB 1 1 10 5947 1 1 33 ARG CD C -3.346 -1.914 -1.764 1.00 . A A . 33 ARG CD 1 1 10 5948 1 1 33 ARG CG C -1.975 -1.855 -2.441 1.00 . A A . 33 ARG CG 1 1 10 5949 1 1 33 ARG CZ C -5.008 -3.693 -1.192 1.00 . A A . 33 ARG CZ 1 1 10 5950 1 1 33 ARG H H -2.702 1.667 -3.246 1.00 . A A . 33 ARG H 1 1 10 5951 1 1 33 ARG HA H -0.629 0.189 -1.982 1.00 . A A . 33 ARG HA 1 1 10 5952 1 1 33 ARG HB2 H -2.925 -0.359 -3.670 1.00 . A A . 33 ARG HB2 1 1 10 5953 1 1 33 ARG HB3 H -1.518 -1.096 -4.407 1.00 . A A . 33 ARG HB3 1 1 10 5954 1 1 33 ARG HD2 H -3.295 -1.454 -0.778 1.00 . A A . 33 ARG HD2 1 1 10 5955 1 1 33 ARG HD3 H -4.072 -1.343 -2.344 1.00 . A A . 33 ARG HD3 1 1 10 5956 1 1 33 ARG HE H -3.150 -4.040 -1.913 1.00 . A A . 33 ARG HE 1 1 10 5957 1 1 33 ARG HG2 H -1.767 -2.805 -2.933 1.00 . A A . 33 ARG HG2 1 1 10 5958 1 1 33 ARG HG3 H -1.200 -1.710 -1.688 1.00 . A A . 33 ARG HG3 1 1 10 5959 1 1 33 ARG HH11 H -5.684 -1.792 -0.869 1.00 . A A . 33 ARG HH11 1 1 10 5960 1 1 33 ARG HH12 H -6.812 -3.049 -0.483 1.00 . A A . 33 ARG HH12 1 1 10 5961 1 1 33 ARG HH21 H -6.175 -5.338 -0.805 1.00 . A A . 33 ARG HH21 1 1 10 5962 1 1 33 ARG N N -1.844 1.627 -2.734 1.00 . A A . 33 ARG N 1 1 10 5963 1 1 33 ARG NE N -3.791 -3.320 -1.644 1.00 . A A . 33 ARG NE 1 1 10 5964 1 1 33 ARG NH1 N -5.912 -2.765 -0.816 1.00 . A A . 33 ARG NH1 1 1 10 5965 1 1 33 ARG NH2 N -5.300 -4.979 -1.126 1.00 . A A . 33 ARG NH2 1 1 10 5966 1 1 33 ARG O O 0.154 1.822 -4.504 1.00 . A A . 33 ARG O 1 1 10 5967 1 1 34 CYS C C 2.014 -1.458 -6.014 1.00 . A A . 34 CYS C 1 1 10 5968 1 1 34 CYS CA C 1.959 -0.182 -5.173 1.00 . A A . 34 CYS CA 1 1 10 5969 1 1 34 CYS CB C 3.288 0.095 -4.468 1.00 . A A . 34 CYS CB 1 1 10 5970 1 1 34 CYS H H 0.779 -1.205 -3.794 1.00 . A A . 34 CYS H 1 1 10 5971 1 1 34 CYS HA H 1.736 0.683 -5.797 1.00 . A A . 34 CYS HA 1 1 10 5972 1 1 34 CYS HB2 H 3.197 -0.203 -3.423 1.00 . A A . 34 CYS HB2 1 1 10 5973 1 1 34 CYS HB3 H 4.058 -0.536 -4.912 1.00 . A A . 34 CYS HB3 1 1 10 5974 1 1 34 CYS N N 0.864 -0.307 -4.227 1.00 . A A . 34 CYS N 1 1 10 5975 1 1 34 CYS O O 2.744 -2.392 -5.685 1.00 . A A . 34 CYS O 1 1 10 5976 1 1 34 CYS SG S 3.845 1.836 -4.536 1.00 . A A . 34 CYS SG 1 1 10 5977 1 1 35 THR C C 2.363 -2.577 -8.948 1.00 . A A . 35 THR C 1 1 10 5978 1 1 35 THR CA C 1.184 -2.606 -7.975 1.00 . A A . 35 THR CA 1 1 10 5979 1 1 35 THR CB C -0.179 -2.605 -8.671 1.00 . A A . 35 THR CB 1 1 10 5980 1 1 35 THR CG2 C -0.065 -2.375 -10.180 1.00 . A A . 35 THR CG2 1 1 10 5981 1 1 35 THR H H 0.642 -0.696 -7.345 1.00 . A A . 35 THR H 1 1 10 5982 1 1 35 THR HA H 1.286 -3.511 -7.376 1.00 . A A . 35 THR HA 1 1 10 5983 1 1 35 THR HB H -0.849 -1.876 -8.216 1.00 . A A . 35 THR HB 1 1 10 5984 1 1 35 THR HG1 H -1.416 -4.102 -9.155 1.00 . A A . 35 THR HG1 1 1 10 5985 1 1 35 THR HG21 H 0.616 -3.110 -10.609 1.00 . A A . 35 THR HG21 1 1 10 5986 1 1 35 THR HG22 H -1.048 -2.481 -10.639 1.00 . A A . 35 THR HG22 1 1 10 5987 1 1 35 THR HG23 H 0.318 -1.372 -10.367 1.00 . A A . 35 THR HG23 1 1 10 5988 1 1 35 THR N N 1.232 -1.459 -7.084 1.00 . A A . 35 THR N 1 1 10 5989 1 1 35 THR O O 2.997 -1.538 -9.130 1.00 . A A . 35 THR O 1 1 10 5990 1 1 35 THR OG1 O -0.628 -3.953 -8.559 1.00 . A A . 35 THR OG1 1 1 10 5991 1 1 36 CYS C C 3.152 -4.386 -11.815 1.00 . A A . 36 CYS C 1 1 10 5992 1 1 36 CYS CA C 3.716 -3.848 -10.498 1.00 . A A . 36 CYS CA 1 1 10 5993 1 1 36 CYS CB C 4.843 -4.731 -9.957 1.00 . A A . 36 CYS CB 1 1 10 5994 1 1 36 CYS H H 2.103 -4.568 -9.394 1.00 . A A . 36 CYS H 1 1 10 5995 1 1 36 CYS HA H 4.124 -2.846 -10.632 1.00 . A A . 36 CYS HA 1 1 10 5996 1 1 36 CYS HB2 H 4.411 -5.662 -9.589 1.00 . A A . 36 CYS HB2 1 1 10 5997 1 1 36 CYS HB3 H 5.508 -4.992 -10.780 1.00 . A A . 36 CYS HB3 1 1 10 5998 1 1 36 CYS N N 2.623 -3.729 -9.548 1.00 . A A . 36 CYS N 1 1 10 5999 1 1 36 CYS O O 2.508 -5.434 -11.836 1.00 . A A . 36 CYS O 1 1 10 6000 1 1 36 CYS SG S 5.834 -3.975 -8.618 1.00 . A A . 36 CYS SG 1 1 10 6001 1 1 37 THR C C 4.115 -4.165 -15.170 1.00 . A A . 37 THR C 1 1 10 6002 1 1 37 THR CA C 2.940 -4.033 -14.198 1.00 . A A . 37 THR CA 1 1 10 6003 1 1 37 THR CB C 1.894 -3.011 -14.646 1.00 . A A . 37 THR CB 1 1 10 6004 1 1 37 THR CG2 C 0.553 -3.195 -13.931 1.00 . A A . 37 THR CG2 1 1 10 6005 1 1 37 THR H H 3.938 -2.793 -12.854 1.00 . A A . 37 THR H 1 1 10 6006 1 1 37 THR HA H 2.478 -5.017 -14.120 1.00 . A A . 37 THR HA 1 1 10 6007 1 1 37 THR HB H 1.765 -3.034 -15.727 1.00 . A A . 37 THR HB 1 1 10 6008 1 1 37 THR HG1 H 2.811 -1.249 -14.886 1.00 . A A . 37 THR HG1 1 1 10 6009 1 1 37 THR HG21 H 0.463 -2.459 -13.132 1.00 . A A . 37 THR HG21 1 1 10 6010 1 1 37 THR HG22 H -0.260 -3.059 -14.644 1.00 . A A . 37 THR HG22 1 1 10 6011 1 1 37 THR HG23 H 0.502 -4.198 -13.508 1.00 . A A . 37 THR HG23 1 1 10 6012 1 1 37 THR N N 3.414 -3.644 -12.880 1.00 . A A . 37 THR N 1 1 10 6013 1 1 37 THR O O 5.094 -3.426 -15.070 1.00 . A A . 37 THR O 1 1 10 6014 1 1 37 THR OG1 O 2.385 -1.770 -14.146 1.00 . A A . 37 THR OG1 1 1 10 6015 1 1 38 ASP C C 6.314 -5.736 -16.366 1.00 . A A . 38 ASP C 1 1 10 6016 1 1 38 ASP CA C 5.016 -5.348 -17.077 1.00 . A A . 38 ASP CA 1 1 10 6017 1 1 38 ASP CB C 5.288 -4.089 -17.903 1.00 . A A . 38 ASP CB 1 1 10 6018 1 1 38 ASP CG C 4.220 -3.757 -18.947 1.00 . A A . 38 ASP CG 1 1 10 6019 1 1 38 ASP H H 3.179 -5.706 -16.163 1.00 . A A . 38 ASP H 1 1 10 6020 1 1 38 ASP HA H 4.632 -6.148 -17.709 1.00 . A A . 38 ASP HA 1 1 10 6021 1 1 38 ASP HB2 H 5.388 -3.242 -17.225 1.00 . A A . 38 ASP HB2 1 1 10 6022 1 1 38 ASP HB3 H 6.247 -4.205 -18.410 1.00 . A A . 38 ASP HB3 1 1 10 6023 1 1 38 ASP HD2 H 3.509 -2.423 -17.824 1.00 . A A . 38 ASP HD2 1 1 10 6024 1 1 38 ASP N N 3.979 -5.110 -16.088 1.00 . A A . 38 ASP N 1 1 10 6025 1 1 38 ASP O O 6.691 -5.115 -15.373 1.00 . A A . 38 ASP O 1 1 10 6026 1 1 38 ASP OD1 O 3.948 -4.553 -19.857 1.00 . A A . 38 ASP OD1 1 1 10 6027 1 1 38 ASP OD2 O 3.649 -2.610 -18.797 1.00 . A A . 38 ASP OD2 1 1 10 6028 1 1 39 CYS C C 8.989 -7.970 -17.423 1.00 . A A . 39 CYS C 1 1 10 6029 1 1 39 CYS CA C 8.208 -7.239 -16.329 1.00 . A A . 39 CYS CA 1 1 10 6030 1 1 39 CYS CB C 7.966 -8.129 -15.109 1.00 . A A . 39 CYS CB 1 1 10 6031 1 1 39 CYS H H 6.647 -7.260 -17.708 1.00 . A A . 39 CYS H 1 1 10 6032 1 1 39 CYS HA H 8.753 -6.360 -15.986 1.00 . A A . 39 CYS HA 1 1 10 6033 1 1 39 CYS HB2 H 7.553 -9.080 -15.446 1.00 . A A . 39 CYS HB2 1 1 10 6034 1 1 39 CYS HB3 H 8.926 -8.348 -14.640 1.00 . A A . 39 CYS HB3 1 1 10 6035 1 1 39 CYS N N 6.960 -6.760 -16.900 1.00 . A A . 39 CYS N 1 1 10 6036 1 1 39 CYS O O 8.426 -8.335 -18.454 1.00 . A A . 39 CYS O 1 1 10 6037 1 1 39 CYS SG S 6.845 -7.418 -13.849 1.00 . A A . 39 CYS SG 1 1 10 6038 1 1 40 ASN C C 11.541 -10.204 -17.540 1.00 . A A . 40 ASN C 1 1 10 6039 1 1 40 ASN CA C 11.137 -8.843 -18.111 1.00 . A A . 40 ASN CA 1 1 10 6040 1 1 40 ASN CB C 12.414 -8.040 -18.368 1.00 . A A . 40 ASN CB 1 1 10 6041 1 1 40 ASN CG C 12.274 -7.175 -19.623 1.00 . A A . 40 ASN CG 1 1 10 6042 1 1 40 ASN H H 10.723 -7.862 -16.320 1.00 . A A . 40 ASN H 1 1 10 6043 1 1 40 ASN HA H 10.546 -8.931 -19.022 1.00 . A A . 40 ASN HA 1 1 10 6044 1 1 40 ASN HB2 H 12.628 -7.406 -17.507 1.00 . A A . 40 ASN HB2 1 1 10 6045 1 1 40 ASN HB3 H 13.258 -8.719 -18.482 1.00 . A A . 40 ASN HB3 1 1 10 6046 1 1 40 ASN HD21 H 12.631 -5.543 -18.480 1.00 . A A . 40 ASN HD21 1 1 10 6047 1 1 40 ASN HD22 H 12.365 -5.226 -20.162 1.00 . A A . 40 ASN HD22 1 1 10 6048 1 1 40 ASN N N 10.273 -8.163 -17.161 1.00 . A A . 40 ASN N 1 1 10 6049 1 1 40 ASN ND2 N 12.437 -5.874 -19.404 1.00 . A A . 40 ASN ND2 1 1 10 6050 1 1 40 ASN O O 12.664 -10.374 -17.069 1.00 . A A . 40 ASN O 1 1 10 6051 1 1 40 ASN OD1 O 12.035 -7.658 -20.717 1.00 . A A . 40 ASN OD1 1 1 10 6052 1 1 41 GLY C C 10.074 -13.520 -17.912 1.00 . A A . 41 GLY C 1 1 10 6053 1 1 41 GLY CA C 10.849 -12.480 -17.100 1.00 . A A . 41 GLY CA 1 1 10 6054 1 1 41 GLY H H 9.694 -10.992 -17.991 1.00 . A A . 41 GLY H 1 1 10 6055 1 1 41 GLY HA2 H 11.916 -12.699 -17.144 1.00 . A A . 41 GLY HA2 1 1 10 6056 1 1 41 GLY HA3 H 10.555 -12.537 -16.053 1.00 . A A . 41 GLY HA3 1 1 10 6057 1 1 41 GLY N N 10.604 -11.139 -17.604 1.00 . A A . 41 GLY N 1 1 10 6058 1 1 41 GLY O O 10.670 -14.312 -18.640 1.00 . A A . 41 GLY O 1 1 10 6059 1 1 42 LYS C C 6.439 -13.982 -18.298 1.00 . A A . 42 LYS C 1 1 10 6060 1 1 42 LYS CA C 7.897 -14.413 -18.468 1.00 . A A . 42 LYS CA 1 1 10 6061 1 1 42 LYS CB C 8.170 -15.850 -18.015 1.00 . A A . 42 LYS CB 1 1 10 6062 1 1 42 LYS CD C 6.241 -17.467 -17.877 1.00 . A A . 42 LYS CD 1 1 10 6063 1 1 42 LYS CE C 5.536 -18.633 -18.575 1.00 . A A . 42 LYS CE 1 1 10 6064 1 1 42 LYS CG C 7.300 -16.843 -18.788 1.00 . A A . 42 LYS CG 1 1 10 6065 1 1 42 LYS H H 8.283 -12.836 -17.164 1.00 . A A . 42 LYS H 1 1 10 6066 1 1 42 LYS HA H 8.154 -14.355 -19.525 1.00 . A A . 42 LYS HA 1 1 10 6067 1 1 42 LYS HB2 H 9.223 -16.089 -18.166 1.00 . A A . 42 LYS HB2 1 1 10 6068 1 1 42 LYS HB3 H 7.973 -15.941 -16.948 1.00 . A A . 42 LYS HB3 1 1 10 6069 1 1 42 LYS HD2 H 6.709 -17.819 -16.957 1.00 . A A . 42 LYS HD2 1 1 10 6070 1 1 42 LYS HD3 H 5.508 -16.712 -17.594 1.00 . A A . 42 LYS HD3 1 1 10 6071 1 1 42 LYS HE2 H 6.055 -18.876 -19.502 1.00 . A A . 42 LYS HE2 1 1 10 6072 1 1 42 LYS HE3 H 5.579 -19.521 -17.943 1.00 . A A . 42 LYS HE3 1 1 10 6073 1 1 42 LYS HG2 H 6.814 -16.334 -19.621 1.00 . A A . 42 LYS HG2 1 1 10 6074 1 1 42 LYS HG3 H 7.927 -17.626 -19.214 1.00 . A A . 42 LYS HG3 1 1 10 6075 1 1 42 LYS HZ1 H 4.050 -17.500 -19.496 1.00 . A A . 42 LYS HZ1 1 1 10 6076 1 1 42 LYS HZ2 H 3.627 -19.059 -19.292 1.00 . A A . 42 LYS HZ2 1 1 10 6077 1 1 42 LYS N N 8.760 -13.484 -17.759 1.00 . A A . 42 LYS N 1 1 10 6078 1 1 42 LYS NZ N 4.127 -18.288 -18.863 1.00 . A A . 42 LYS NZ 1 1 10 6079 1 1 42 LYS O O 6.021 -13.614 -17.202 1.00 . A A . 42 LYS O 1 1 10 6080 1 1 43 LYS C C 3.586 -14.415 -18.265 1.00 . A A . 43 LYS C 1 1 10 6081 1 1 43 LYS CA C 4.303 -13.662 -19.387 1.00 . A A . 43 LYS CA 1 1 10 6082 1 1 43 LYS CB C 3.678 -13.873 -20.767 1.00 . A A . 43 LYS CB 1 1 10 6083 1 1 43 LYS CD C 1.948 -12.052 -20.994 1.00 . A A . 43 LYS CD 1 1 10 6084 1 1 43 LYS CE C 0.852 -12.714 -21.831 1.00 . A A . 43 LYS CE 1 1 10 6085 1 1 43 LYS CG C 3.334 -12.535 -21.425 1.00 . A A . 43 LYS CG 1 1 10 6086 1 1 43 LYS H H 6.054 -14.342 -20.288 1.00 . A A . 43 LYS H 1 1 10 6087 1 1 43 LYS HA H 4.256 -12.594 -19.173 1.00 . A A . 43 LYS HA 1 1 10 6088 1 1 43 LYS HB2 H 4.368 -14.428 -21.402 1.00 . A A . 43 LYS HB2 1 1 10 6089 1 1 43 LYS HB3 H 2.777 -14.479 -20.674 1.00 . A A . 43 LYS HB3 1 1 10 6090 1 1 43 LYS HD2 H 1.792 -12.278 -19.939 1.00 . A A . 43 LYS HD2 1 1 10 6091 1 1 43 LYS HD3 H 1.888 -10.970 -21.100 1.00 . A A . 43 LYS HD3 1 1 10 6092 1 1 43 LYS HE2 H 0.456 -12.001 -22.553 1.00 . A A . 43 LYS HE2 1 1 10 6093 1 1 43 LYS HE3 H 1.272 -13.543 -22.401 1.00 . A A . 43 LYS HE3 1 1 10 6094 1 1 43 LYS HG2 H 4.084 -11.792 -21.155 1.00 . A A . 43 LYS HG2 1 1 10 6095 1 1 43 LYS HG3 H 3.366 -12.641 -22.509 1.00 . A A . 43 LYS HG3 1 1 10 6096 1 1 43 LYS HZ1 H -1.036 -13.531 -21.497 1.00 . A A . 43 LYS HZ1 1 1 10 6097 1 1 43 LYS HZ2 H 0.059 -13.982 -20.379 1.00 . A A . 43 LYS HZ2 1 1 10 6098 1 1 43 LYS N N 5.706 -14.042 -19.401 1.00 . A A . 43 LYS N 1 1 10 6099 1 1 43 LYS NZ N -0.239 -13.206 -20.961 1.00 . A A . 43 LYS NZ 1 1 10 6100 1 1 43 LYS O O 2.357 -14.426 -18.207 1.00 . A A . 43 LYS O 1 1 stop_ save_
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