NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
403872 | 1wt7 | 6389 | cing | 4-filtered-FRED | STAR | entry | full | 309 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1wt7 # This FRED archive file contains, for PDB entry <1wt7>: # # - 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_1wt7 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1wt7 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 4422.14 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 $BuTX_MTX A . 1 1 stop_ save_ save_BuTX_MTX _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "BuTX MTX" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code WCSTCLDLACTGSKDCYAPCRKQTGCPNAKCINKSCKCYGC _Entity.Number_of_monomers 41 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 TRP . 1 1 2 CYS . 1 1 3 SER . 1 1 4 THR . 1 1 5 CYS . 1 1 6 LEU . 1 1 7 ASP . 1 1 8 LEU . 1 1 9 ALA . 1 1 10 CYS . 1 1 11 THR . 1 1 12 GLY . 1 1 13 SER . 1 1 14 LYS . 1 1 15 ASP . 1 1 16 CYS . 1 1 17 TYR . 1 1 18 ALA . 1 1 19 PRO . 1 1 20 CYS . 1 1 21 ARG . 1 1 22 LYS . 1 1 23 GLN . 1 1 24 THR . 1 1 25 GLY . 1 1 26 CYS . 1 1 27 PRO . 1 1 28 ASN . 1 1 29 ALA . 1 1 30 LYS . 1 1 31 CYS . 1 1 32 ILE . 1 1 33 ASN . 1 1 34 LYS . 1 1 35 SER . 1 1 36 CYS . 1 1 37 LYS . 1 1 38 CYS . 1 1 39 TYR . 1 1 40 GLY . 1 1 41 CYS . 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 TRP 1 1 1 1 CYS 2 2 1 1 SER 3 3 1 1 THR 4 4 1 1 CYS 5 5 1 1 LEU 6 6 1 1 ASP 7 7 1 1 LEU 8 8 1 1 ALA 9 9 1 1 CYS 10 10 1 1 THR 11 11 1 1 GLY 12 12 1 1 SER 13 13 1 1 LYS 14 14 1 1 ASP 15 15 1 1 CYS 16 16 1 1 TYR 17 17 1 1 ALA 18 18 1 1 PRO 19 19 1 1 CYS 20 20 1 1 ARG 21 21 1 1 LYS 22 22 1 1 GLN 23 23 1 1 THR 24 24 1 1 GLY 25 25 1 1 CYS 26 26 1 1 PRO 27 27 1 1 ASN 28 28 1 1 ALA 29 29 1 1 LYS 30 30 1 1 CYS 31 31 1 1 ILE 32 32 1 1 ASN 33 33 1 1 LYS 34 34 1 1 SER 35 35 1 1 CYS 36 36 1 1 LYS 37 37 1 1 CYS 38 38 1 1 TYR 39 39 1 1 GLY 40 40 1 1 CYS 41 41 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 305 1 . . . 1 1 306 1 . . . 1 1 307 1 . . . 1 1 308 1 . . . 1 1 309 1 . . . 1 1 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 1 TRP QB . 1 . HB2 1 1 1 1 2 1 1 1 TRP HD1 . 1 . HD1 1 1 2 1 1 1 1 1 TRP HD1 . 1 . HD1 1 1 2 1 2 1 1 23 GLN QG . 23 . HG3 1 1 3 1 1 1 1 2 CYS H . 2 . HN 1 1 3 1 2 1 1 23 GLN QG . 23 . HG2 1 1 4 1 1 1 1 2 CYS HA . 2 . HA 1 1 4 1 2 1 1 2 CYS QB . 2 . HB2 1 1 5 1 1 1 1 2 CYS HA . 2 . HA 1 1 5 1 2 1 1 3 SER H . 3 . HN 1 1 6 1 1 1 1 2 CYS QB . 2 . HB2 1 1 6 1 2 1 1 3 SER H . 3 . HN 1 1 7 1 1 1 1 2 CYS QB . 2 . HB3 1 1 7 1 2 1 1 19 PRO HA . 19 . HA 1 1 8 1 1 1 1 3 SER H . 3 . HN 1 1 8 1 2 1 1 3 SER HB2 . 3 . HB2 1 1 9 1 1 1 1 3 SER H . 3 . HN 1 1 9 1 2 1 1 3 SER HB3 . 3 . HB3 1 1 10 1 1 1 1 3 SER H . 3 . HN 1 1 10 1 2 1 1 4 THR H . 4 . HN 1 1 11 1 1 1 1 3 SER HA . 3 . HA 1 1 11 1 2 1 1 3 SER HB2 . 3 . HB2 1 1 12 1 1 1 1 3 SER HA . 3 . HA 1 1 12 1 2 1 1 3 SER HB3 . 3 . HB3 1 1 13 1 1 1 1 3 SER HA . 3 . HA 1 1 13 1 2 1 1 4 THR H . 4 . HN 1 1 14 1 1 1 1 3 SER HB2 . 3 . HB2 1 1 14 1 2 1 1 4 THR H . 4 . HN 1 1 15 1 1 1 1 3 SER HB3 . 3 . HB3 1 1 15 1 2 1 1 4 THR H . 4 . HN 1 1 16 1 1 1 1 4 THR HA . 4 . HA 1 1 16 1 2 1 1 5 CYS H . 5 . HN 1 1 17 1 1 1 1 5 CYS H . 5 . HN 1 1 17 1 2 1 1 5 CYS HA . 5 . HA 1 1 18 1 1 1 1 5 CYS H . 5 . HN 1 1 18 1 2 1 1 5 CYS QB . 5 . HB2 1 1 19 1 1 1 1 5 CYS HA . 5 . HA 1 1 19 1 2 1 1 5 CYS QB . 5 . HB2 1 1 20 1 1 1 1 6 LEU QB . 6 . HB2 1 1 20 1 2 1 1 7 ASP H . 7 . HN 1 1 21 1 1 1 1 7 ASP H . 7 . HN 1 1 21 1 2 1 1 7 ASP HA . 7 . HA 1 1 22 1 1 1 1 7 ASP H . 7 . HN 1 1 22 1 2 1 1 7 ASP HB2 . 7 . HB2 1 1 23 1 1 1 1 7 ASP H . 7 . HN 1 1 23 1 2 1 1 7 ASP HB3 . 7 . HB3 1 1 24 1 1 1 1 7 ASP HA . 7 . HA 1 1 24 1 2 1 1 7 ASP HB3 . 7 . HB3 1 1 25 1 1 1 1 7 ASP HA . 7 . HA 1 1 25 1 2 1 1 8 LEU H . 8 . HN 1 1 26 1 1 1 1 7 ASP HB2 . 7 . HB2 1 1 26 1 2 1 1 8 LEU H . 8 . HN 1 1 27 1 1 1 1 7 ASP HB3 . 7 . HB3 1 1 27 1 2 1 1 8 LEU H . 8 . HN 1 1 28 1 1 1 1 8 LEU H . 8 . HN 1 1 28 1 2 1 1 8 LEU HA . 8 . HA 1 1 29 1 1 1 1 8 LEU H . 8 . HN 1 1 29 1 2 1 1 8 LEU QB . 8 . HB2 1 1 30 1 1 1 1 8 LEU HA . 8 . HA 1 1 30 1 2 1 1 8 LEU QB . 8 . HB2 1 1 31 1 1 1 1 8 LEU HA . 8 . HA 1 1 31 1 2 1 1 9 ALA H . 9 . HN 1 1 32 1 1 1 1 8 LEU QB . 8 . HB2 1 1 32 1 2 1 1 36 CYS H . 36 . HN 1 1 33 1 1 1 1 9 ALA H . 9 . HN 1 1 33 1 2 1 1 9 ALA HA . 9 . HA 1 1 34 1 1 1 1 9 ALA HA . 9 . HA 1 1 34 1 2 1 1 10 CYS H . 10 . HN 1 1 35 1 1 1 1 9 ALA HA . 9 . HA 1 1 35 1 2 1 1 35 SER HA . 35 . HA 1 1 36 1 1 1 1 10 CYS H . 10 . HN 1 1 36 1 2 1 1 10 CYS HA . 10 . HA 1 1 37 1 1 1 1 10 CYS H . 10 . HN 1 1 37 1 2 1 1 10 CYS HB2 . 10 . HB2 1 1 38 1 1 1 1 10 CYS H . 10 . HN 1 1 38 1 2 1 1 10 CYS HB3 . 10 . HB3 1 1 39 1 1 1 1 10 CYS H . 10 . HN 1 1 39 1 2 1 1 11 THR H . 11 . HN 1 1 40 1 1 1 1 10 CYS HB2 . 10 . HB2 1 1 40 1 2 1 1 11 THR H . 11 . HN 1 1 41 1 1 1 1 10 CYS HB3 . 10 . HB3 1 1 41 1 2 1 1 11 THR H . 11 . HN 1 1 42 1 1 1 1 10 CYS HB3 . 10 . HB3 1 1 42 1 2 1 1 31 CYS QB . 31 . HB2 1 1 43 1 1 1 1 11 THR H . 11 . HN 1 1 43 1 2 1 1 11 THR HA . 11 . HA 1 1 44 1 1 1 1 11 THR H . 11 . HN 1 1 44 1 2 1 1 11 THR HB . 11 . HB 1 1 45 1 1 1 1 11 THR H . 11 . HN 1 1 45 1 2 1 1 15 ASP HB2 . 15 . HB2 1 1 46 1 1 1 1 11 THR H . 11 . HN 1 1 46 1 2 1 1 15 ASP HB3 . 15 . HB3 1 1 47 1 1 1 1 11 THR HA . 11 . HA 1 1 47 1 2 1 1 11 THR HB . 11 . HB 1 1 48 1 1 1 1 11 THR HA . 11 . HA 1 1 48 1 2 1 1 12 GLY H . 12 . HN 1 1 49 1 1 1 1 11 THR HB . 11 . HB 1 1 49 1 2 1 1 12 GLY H . 12 . HN 1 1 50 1 1 1 1 12 GLY H . 12 . HN 1 1 50 1 2 1 1 12 GLY HA2 . 12 . HA1 1 1 51 1 1 1 1 12 GLY H . 12 . HN 1 1 51 1 2 1 1 15 ASP HB2 . 15 . HB2 1 1 52 1 1 1 1 12 GLY H . 12 . HN 1 1 52 1 2 1 1 15 ASP HB3 . 15 . HB3 1 1 53 1 1 1 1 12 GLY HA2 . 12 . HA1 1 1 53 1 2 1 1 13 SER H . 13 . HN 1 1 54 1 1 1 1 12 GLY HA3 . 12 . HA2 1 1 54 1 2 1 1 13 SER H . 13 . HN 1 1 55 1 1 1 1 13 SER H . 13 . HN 1 1 55 1 2 1 1 13 SER QB . 13 . HB2 1 1 56 1 1 1 1 13 SER HA . 13 . HA 1 1 56 1 2 1 1 13 SER QB . 13 . HB2 1 1 57 1 1 1 1 13 SER HA . 13 . HA 1 1 57 1 2 1 1 14 LYS H . 14 . HN 1 1 58 1 1 1 1 13 SER HA . 13 . HA 1 1 58 1 2 1 1 30 LYS HA . 30 . HA 1 1 59 1 1 1 1 13 SER HA . 13 . HA 1 1 59 1 2 1 1 31 CYS QB . 31 . HB3 1 1 60 1 1 1 1 13 SER QB . 13 . HB2 1 1 60 1 2 1 1 30 LYS H . 30 . HN 1 1 61 1 1 1 1 13 SER QB . 13 . HB2 1 1 61 1 2 1 1 30 LYS HA . 30 . HA 1 1 62 1 1 1 1 14 LYS H . 14 . HN 1 1 62 1 2 1 1 14 LYS HA . 14 . HA 1 1 63 1 1 1 1 14 LYS H . 14 . HN 1 1 63 1 2 1 1 14 LYS HB2 . 14 . HB2 1 1 64 1 1 1 1 14 LYS H . 14 . HN 1 1 64 1 2 1 1 14 LYS HB3 . 14 . HB3 1 1 65 1 1 1 1 14 LYS H . 14 . HN 1 1 65 1 2 1 1 14 LYS QG . 14 . HG2 1 1 66 1 1 1 1 14 LYS H . 14 . HN 1 1 66 1 2 1 1 15 ASP H . 15 . HN 1 1 67 1 1 1 1 14 LYS HA . 14 . HA 1 1 67 1 2 1 1 14 LYS HB2 . 14 . HB2 1 1 68 1 1 1 1 14 LYS HA . 14 . HA 1 1 68 1 2 1 1 14 LYS QG . 14 . HG2 1 1 69 1 1 1 1 14 LYS HA . 14 . HA 1 1 69 1 2 1 1 15 ASP H . 15 . HN 1 1 70 1 1 1 1 14 LYS HA . 14 . HA 1 1 70 1 2 1 1 17 TYR H . 17 . HN 1 1 71 1 1 1 1 14 LYS HB2 . 14 . HB2 1 1 71 1 2 1 1 15 ASP H . 15 . HN 1 1 72 1 1 1 1 14 LYS HB3 . 14 . HB3 1 1 72 1 2 1 1 15 ASP H . 15 . HN 1 1 73 1 1 1 1 14 LYS QG . 14 . HG2 1 1 73 1 2 1 1 15 ASP H . 15 . HN 1 1 74 1 1 1 1 15 ASP H . 15 . HN 1 1 74 1 2 1 1 15 ASP HA . 15 . HA 1 1 75 1 1 1 1 15 ASP H . 15 . HN 1 1 75 1 2 1 1 15 ASP HB2 . 15 . HB2 1 1 76 1 1 1 1 15 ASP H . 15 . HN 1 1 76 1 2 1 1 15 ASP HB3 . 15 . HB3 1 1 77 1 1 1 1 15 ASP H . 15 . HN 1 1 77 1 2 1 1 16 CYS H . 16 . HN 1 1 78 1 1 1 1 15 ASP HA . 15 . HA 1 1 78 1 2 1 1 15 ASP HB2 . 15 . HB2 1 1 79 1 1 1 1 15 ASP HA . 15 . HA 1 1 79 1 2 1 1 15 ASP HB3 . 15 . HB3 1 1 80 1 1 1 1 15 ASP HA . 15 . HA 1 1 80 1 2 1 1 16 CYS H . 16 . HN 1 1 81 1 1 1 1 15 ASP HB2 . 15 . HB2 1 1 81 1 2 1 1 16 CYS H . 16 . HN 1 1 82 1 1 1 1 16 CYS H . 16 . HN 1 1 82 1 2 1 1 16 CYS HA . 16 . HA 1 1 83 1 1 1 1 16 CYS H . 16 . HN 1 1 83 1 2 1 1 16 CYS HB2 . 16 . HB2 1 1 84 1 1 1 1 16 CYS H . 16 . HN 1 1 84 1 2 1 1 16 CYS HB3 . 16 . HB3 1 1 85 1 1 1 1 16 CYS H . 16 . HN 1 1 85 1 2 1 1 17 TYR H . 17 . HN 1 1 86 1 1 1 1 16 CYS HA . 16 . HA 1 1 86 1 2 1 1 16 CYS HB3 . 16 . HB3 1 1 87 1 1 1 1 16 CYS HA . 16 . HA 1 1 87 1 2 1 1 17 TYR H . 17 . HN 1 1 88 1 1 1 1 16 CYS HA . 16 . HA 1 1 88 1 2 1 1 19 PRO QD . 19 . HD2 1 1 89 1 1 1 1 16 CYS HA . 16 . HA 1 1 89 1 2 1 1 19 PRO HG3 . 19 . HG3 1 1 90 1 1 1 1 16 CYS HA . 16 . HA 1 1 90 1 2 1 1 20 CYS H . 20 . HN 1 1 91 1 1 1 1 16 CYS HB2 . 16 . HB2 1 1 91 1 2 1 1 17 TYR H . 17 . HN 1 1 92 1 1 1 1 16 CYS HB3 . 16 . HB3 1 1 92 1 2 1 1 17 TYR H . 17 . HN 1 1 93 1 1 1 1 16 CYS HB3 . 16 . HB3 1 1 93 1 2 1 1 36 CYS HB2 . 36 . HB2 1 1 94 1 1 1 1 17 TYR H . 17 . HN 1 1 94 1 2 1 1 17 TYR HA . 17 . HA 1 1 95 1 1 1 1 17 TYR H . 17 . HN 1 1 95 1 2 1 1 17 TYR HB2 . 17 . HB2 1 1 96 1 1 1 1 17 TYR H . 17 . HN 1 1 96 1 2 1 1 17 TYR HB3 . 17 . HB3 1 1 97 1 1 1 1 17 TYR H . 17 . HN 1 1 97 1 2 1 1 18 ALA H . 18 . HN 1 1 98 1 1 1 1 17 TYR H . 17 . HN 1 1 98 1 2 1 1 19 PRO QD . 19 . HD2 1 1 99 1 1 1 1 17 TYR HA . 17 . HA 1 1 99 1 2 1 1 17 TYR HB2 . 17 . HB2 1 1 100 1 1 1 1 17 TYR HA . 17 . HA 1 1 100 1 2 1 1 17 TYR HB3 . 17 . HB3 1 1 101 1 1 1 1 17 TYR HA . 17 . HA 1 1 101 1 2 1 1 18 ALA H . 18 . HN 1 1 102 1 1 1 1 17 TYR HA . 17 . HA 1 1 102 1 2 1 1 27 PRO HA . 27 . HA 1 1 103 1 1 1 1 17 TYR HB2 . 17 . HB2 1 1 103 1 2 1 1 18 ALA H . 18 . HN 1 1 104 1 1 1 1 17 TYR HB3 . 17 . HB3 1 1 104 1 2 1 1 18 ALA H . 18 . HN 1 1 105 1 1 1 1 18 ALA H . 18 . HN 1 1 105 1 2 1 1 18 ALA HA . 18 . HA 1 1 106 1 1 1 1 18 ALA H . 18 . HN 1 1 106 1 2 1 1 19 PRO HB2 . 19 . HB2 1 1 107 1 1 1 1 18 ALA H . 18 . HN 1 1 107 1 2 1 1 19 PRO QD . 19 . HD2 1 1 108 1 1 1 1 19 PRO HA . 19 . HA 1 1 108 1 2 1 1 19 PRO HB3 . 19 . HB3 1 1 109 1 1 1 1 19 PRO HA . 19 . HA 1 1 109 1 2 1 1 19 PRO QD . 19 . HD2 1 1 110 1 1 1 1 19 PRO HA . 19 . HA 1 1 110 1 2 1 1 19 PRO HG2 . 19 . HG2 1 1 111 1 1 1 1 19 PRO HA . 19 . HA 1 1 111 1 2 1 1 19 PRO HG3 . 19 . HG3 1 1 112 1 1 1 1 19 PRO HA . 19 . HA 1 1 112 1 2 1 1 22 LYS H . 22 . HN 1 1 113 1 1 1 1 19 PRO HA . 19 . HA 1 1 113 1 2 1 1 22 LYS HB2 . 22 . HB2 1 1 114 1 1 1 1 19 PRO HA . 19 . HA 1 1 114 1 2 1 1 22 LYS HB3 . 22 . HB3 1 1 115 1 1 1 1 19 PRO HB2 . 19 . HB2 1 1 115 1 2 1 1 19 PRO QD . 19 . HD2 1 1 116 1 1 1 1 19 PRO HB2 . 19 . HB2 1 1 116 1 2 1 1 19 PRO HG2 . 19 . HG2 1 1 117 1 1 1 1 19 PRO HB2 . 19 . HB2 1 1 117 1 2 1 1 19 PRO HG3 . 19 . HG3 1 1 118 1 1 1 1 19 PRO HB2 . 19 . HB2 1 1 118 1 2 1 1 20 CYS H . 20 . HN 1 1 119 1 1 1 1 19 PRO HB3 . 19 . HB3 1 1 119 1 2 1 1 19 PRO QD . 19 . HD2 1 1 120 1 1 1 1 19 PRO HB3 . 19 . HB3 1 1 120 1 2 1 1 19 PRO HG2 . 19 . HG2 1 1 121 1 1 1 1 19 PRO HB3 . 19 . HB3 1 1 121 1 2 1 1 22 LYS HB2 . 22 . HB2 1 1 122 1 1 1 1 19 PRO QD . 19 . HD2 1 1 122 1 2 1 1 19 PRO HG2 . 19 . HG2 1 1 123 1 1 1 1 19 PRO QD . 19 . HD2 1 1 123 1 2 1 1 19 PRO HG3 . 19 . HG3 1 1 124 1 1 1 1 19 PRO QD . 19 . HD2 1 1 124 1 2 1 1 20 CYS H . 20 . HN 1 1 125 1 1 1 1 19 PRO HG2 . 19 . HG2 1 1 125 1 2 1 1 20 CYS H . 20 . HN 1 1 126 1 1 1 1 19 PRO HG3 . 19 . HG3 1 1 126 1 2 1 1 20 CYS H . 20 . HN 1 1 127 1 1 1 1 20 CYS H . 20 . HN 1 1 127 1 2 1 1 20 CYS HA . 20 . HA 1 1 128 1 1 1 1 20 CYS H . 20 . HN 1 1 128 1 2 1 1 20 CYS HB2 . 20 . HB2 1 1 129 1 1 1 1 20 CYS H . 20 . HN 1 1 129 1 2 1 1 20 CYS HB3 . 20 . HB3 1 1 130 1 1 1 1 20 CYS H . 20 . HN 1 1 130 1 2 1 1 21 ARG H . 21 . HN 1 1 131 1 1 1 1 20 CYS HA . 20 . HA 1 1 131 1 2 1 1 20 CYS HB2 . 20 . HB2 1 1 132 1 1 1 1 20 CYS HA . 20 . HA 1 1 132 1 2 1 1 20 CYS HB3 . 20 . HB3 1 1 133 1 1 1 1 20 CYS HA . 20 . HA 1 1 133 1 2 1 1 21 ARG H . 21 . HN 1 1 134 1 1 1 1 20 CYS HA . 20 . HA 1 1 134 1 2 1 1 23 GLN H . 23 . HN 1 1 135 1 1 1 1 20 CYS HA . 20 . HA 1 1 135 1 2 1 1 23 GLN QB . 23 . HB2 1 1 136 1 1 1 1 20 CYS HB2 . 20 . HB2 1 1 136 1 2 1 1 21 ARG H . 21 . HN 1 1 137 1 1 1 1 20 CYS HB2 . 20 . HB2 1 1 137 1 2 1 1 38 CYS HB3 . 38 . HB3 1 1 138 1 1 1 1 20 CYS HB3 . 20 . HB3 1 1 138 1 2 1 1 21 ARG H . 21 . HN 1 1 139 1 1 1 1 21 ARG H . 21 . HN 1 1 139 1 2 1 1 21 ARG HA . 21 . HA 1 1 140 1 1 1 1 21 ARG H . 21 . HN 1 1 140 1 2 1 1 21 ARG HB2 . 21 . HB2 1 1 141 1 1 1 1 21 ARG H . 21 . HN 1 1 141 1 2 1 1 21 ARG HB3 . 21 . HB3 1 1 142 1 1 1 1 21 ARG H . 21 . HN 1 1 142 1 2 1 1 21 ARG HG2 . 21 . HG2 1 1 143 1 1 1 1 21 ARG H . 21 . HN 1 1 143 1 2 1 1 21 ARG HG3 . 21 . HG3 1 1 144 1 1 1 1 21 ARG H . 21 . HN 1 1 144 1 2 1 1 22 LYS H . 22 . HN 1 1 145 1 1 1 1 21 ARG H . 21 . HN 1 1 145 1 2 1 1 27 PRO HA . 27 . HA 1 1 146 1 1 1 1 21 ARG HA . 21 . HA 1 1 146 1 2 1 1 21 ARG HB2 . 21 . HB2 1 1 147 1 1 1 1 21 ARG HA . 21 . HA 1 1 147 1 2 1 1 21 ARG HB3 . 21 . HB3 1 1 148 1 1 1 1 21 ARG HA . 21 . HA 1 1 148 1 2 1 1 21 ARG HG2 . 21 . HG2 1 1 149 1 1 1 1 21 ARG HA . 21 . HA 1 1 149 1 2 1 1 21 ARG HG3 . 21 . HG3 1 1 150 1 1 1 1 21 ARG HA . 21 . HA 1 1 150 1 2 1 1 22 LYS H . 22 . HN 1 1 151 1 1 1 1 21 ARG HA . 21 . HA 1 1 151 1 2 1 1 24 THR H . 24 . HN 1 1 152 1 1 1 1 21 ARG HA . 21 . HA 1 1 152 1 2 1 1 25 GLY H . 25 . HN 1 1 153 1 1 1 1 21 ARG HA . 21 . HA 1 1 153 1 2 1 1 26 CYS H . 26 . HN 1 1 154 1 1 1 1 21 ARG HB2 . 21 . HB2 1 1 154 1 2 1 1 21 ARG QD . 21 . HD2 1 1 155 1 1 1 1 21 ARG HB2 . 21 . HB2 1 1 155 1 2 1 1 21 ARG HE . 21 . HE 1 1 156 1 1 1 1 21 ARG HB2 . 21 . HB2 1 1 156 1 2 1 1 21 ARG HG2 . 21 . HG2 1 1 157 1 1 1 1 21 ARG HB2 . 21 . HB2 1 1 157 1 2 1 1 22 LYS H . 22 . HN 1 1 158 1 1 1 1 21 ARG HB3 . 21 . HB3 1 1 158 1 2 1 1 21 ARG QD . 21 . HD2 1 1 159 1 1 1 1 21 ARG HB3 . 21 . HB3 1 1 159 1 2 1 1 21 ARG HE . 21 . HE 1 1 160 1 1 1 1 21 ARG HB3 . 21 . HB3 1 1 160 1 2 1 1 22 LYS H . 22 . HN 1 1 161 1 1 1 1 21 ARG QD . 21 . HD2 1 1 161 1 2 1 1 21 ARG HG3 . 21 . HG3 1 1 162 1 1 1 1 21 ARG HE . 21 . HE 1 1 162 1 2 1 1 21 ARG HG2 . 21 . HG2 1 1 163 1 1 1 1 21 ARG HE . 21 . HE 1 1 163 1 2 1 1 21 ARG HG3 . 21 . HG3 1 1 164 1 1 1 1 21 ARG HG2 . 21 . HG2 1 1 164 1 2 1 1 26 CYS HA . 26 . HA 1 1 165 1 1 1 1 22 LYS H . 22 . HN 1 1 165 1 2 1 1 22 LYS HA . 22 . HA 1 1 166 1 1 1 1 22 LYS H . 22 . HN 1 1 166 1 2 1 1 22 LYS HB2 . 22 . HB2 1 1 167 1 1 1 1 22 LYS H . 22 . HN 1 1 167 1 2 1 1 22 LYS HB3 . 22 . HB3 1 1 168 1 1 1 1 22 LYS H . 22 . HN 1 1 168 1 2 1 1 23 GLN H . 23 . HN 1 1 169 1 1 1 1 22 LYS HA . 22 . HA 1 1 169 1 2 1 1 22 LYS HB2 . 22 . HB2 1 1 170 1 1 1 1 22 LYS HA . 22 . HA 1 1 170 1 2 1 1 22 LYS HB3 . 22 . HB3 1 1 171 1 1 1 1 22 LYS HA . 22 . HA 1 1 171 1 2 1 1 23 GLN H . 23 . HN 1 1 172 1 1 1 1 22 LYS HB2 . 22 . HB2 1 1 172 1 2 1 1 23 GLN H . 23 . HN 1 1 173 1 1 1 1 22 LYS HB3 . 22 . HB3 1 1 173 1 2 1 1 23 GLN H . 23 . HN 1 1 174 1 1 1 1 23 GLN H . 23 . HN 1 1 174 1 2 1 1 23 GLN QB . 23 . HB2 1 1 175 1 1 1 1 23 GLN H . 23 . HN 1 1 175 1 2 1 1 23 GLN QG . 23 . HG3 1 1 176 1 1 1 1 23 GLN H . 23 . HN 1 1 176 1 2 1 1 24 THR H . 24 . HN 1 1 177 1 1 1 1 23 GLN HA . 23 . HA 1 1 177 1 2 1 1 23 GLN QB . 23 . HB2 1 1 178 1 1 1 1 23 GLN HA . 23 . HA 1 1 178 1 2 1 1 23 GLN QG . 23 . HG2 1 1 179 1 1 1 1 23 GLN HA . 23 . HA 1 1 179 1 2 1 1 24 THR H . 24 . HN 1 1 180 1 1 1 1 23 GLN QB . 23 . HB2 1 1 180 1 2 1 1 23 GLN QG . 23 . HG3 1 1 181 1 1 1 1 23 GLN QB . 23 . HB2 1 1 181 1 2 1 1 24 THR H . 24 . HN 1 1 182 1 1 1 1 24 THR H . 24 . HN 1 1 182 1 2 1 1 24 THR HB . 24 . HB 1 1 183 1 1 1 1 24 THR H . 24 . HN 1 1 183 1 2 1 1 25 GLY H . 25 . HN 1 1 184 1 1 1 1 24 THR HA . 24 . HA 1 1 184 1 2 1 1 24 THR HB . 24 . HB 1 1 185 1 1 1 1 24 THR HB . 24 . HB 1 1 185 1 2 1 1 40 GLY HA2 . 40 . HA1 1 1 186 1 1 1 1 25 GLY H . 25 . HN 1 1 186 1 2 1 1 25 GLY HA2 . 25 . HA1 1 1 187 1 1 1 1 25 GLY H . 25 . HN 1 1 187 1 2 1 1 25 GLY HA3 . 25 . HA2 1 1 188 1 1 1 1 25 GLY HA2 . 25 . HA1 1 1 188 1 2 1 1 26 CYS H . 26 . HN 1 1 189 1 1 1 1 25 GLY HA3 . 25 . HA2 1 1 189 1 2 1 1 26 CYS H . 26 . HN 1 1 190 1 1 1 1 26 CYS H . 26 . HN 1 1 190 1 2 1 1 26 CYS HA . 26 . HA 1 1 191 1 1 1 1 26 CYS H . 26 . HN 1 1 191 1 2 1 1 26 CYS HB2 . 26 . HB2 1 1 192 1 1 1 1 26 CYS H . 26 . HN 1 1 192 1 2 1 1 26 CYS HB3 . 26 . HB3 1 1 193 1 1 1 1 26 CYS HA . 26 . HA 1 1 193 1 2 1 1 26 CYS HB3 . 26 . HB3 1 1 194 1 1 1 1 26 CYS HA . 26 . HA 1 1 194 1 2 1 1 27 PRO HD2 . 27 . HD2 1 1 195 1 1 1 1 26 CYS HA . 26 . HA 1 1 195 1 2 1 1 27 PRO HD3 . 27 . HD3 1 1 196 1 1 1 1 26 CYS HB2 . 26 . HB2 1 1 196 1 2 1 1 28 ASN H . 28 . HN 1 1 197 1 1 1 1 26 CYS HB2 . 26 . HB2 1 1 197 1 2 1 1 41 CYS H . 41 . HN 1 1 198 1 1 1 1 26 CYS HB2 . 26 . HB2 1 1 198 1 2 1 1 41 CYS HA . 41 . HA 1 1 199 1 1 1 1 26 CYS HB3 . 26 . HB3 1 1 199 1 2 1 1 28 ASN H . 28 . HN 1 1 200 1 1 1 1 26 CYS HB3 . 26 . HB3 1 1 200 1 2 1 1 41 CYS HA . 41 . HA 1 1 201 1 1 1 1 27 PRO HA . 27 . HA 1 1 201 1 2 1 1 27 PRO QG . 27 . HG2 1 1 202 1 1 1 1 27 PRO HA . 27 . HA 1 1 202 1 2 1 1 28 ASN H . 28 . HN 1 1 203 1 1 1 1 27 PRO QB . 27 . HB2 1 1 203 1 2 1 1 27 PRO HD2 . 27 . HD2 1 1 204 1 1 1 1 27 PRO QB . 27 . HB2 1 1 204 1 2 1 1 27 PRO HD3 . 27 . HD3 1 1 205 1 1 1 1 27 PRO QB . 27 . HB2 1 1 205 1 2 1 1 27 PRO QG . 27 . HG2 1 1 206 1 1 1 1 27 PRO QB . 27 . HB2 1 1 206 1 2 1 1 28 ASN H . 28 . HN 1 1 207 1 1 1 1 27 PRO HD2 . 27 . HD2 1 1 207 1 2 1 1 27 PRO QG . 27 . HG2 1 1 208 1 1 1 1 27 PRO HD2 . 27 . HD2 1 1 208 1 2 1 1 28 ASN H . 28 . HN 1 1 209 1 1 1 1 27 PRO HD3 . 27 . HD3 1 1 209 1 2 1 1 27 PRO QG . 27 . HG2 1 1 210 1 1 1 1 27 PRO HD3 . 27 . HD3 1 1 210 1 2 1 1 28 ASN H . 28 . HN 1 1 211 1 1 1 1 27 PRO QG . 27 . HG2 1 1 211 1 2 1 1 28 ASN H . 28 . HN 1 1 212 1 1 1 1 28 ASN H . 28 . HN 1 1 212 1 2 1 1 28 ASN HA . 28 . HA 1 1 213 1 1 1 1 28 ASN H . 28 . HN 1 1 213 1 2 1 1 28 ASN HB2 . 28 . HB2 1 1 214 1 1 1 1 28 ASN H . 28 . HN 1 1 214 1 2 1 1 28 ASN HB3 . 28 . HB3 1 1 215 1 1 1 1 28 ASN HA . 28 . HA 1 1 215 1 2 1 1 29 ALA H . 29 . HN 1 1 216 1 1 1 1 28 ASN HB2 . 28 . HB2 1 1 216 1 2 1 1 29 ALA H . 29 . HN 1 1 217 1 1 1 1 28 ASN HB3 . 28 . HB3 1 1 217 1 2 1 1 29 ALA H . 29 . HN 1 1 218 1 1 1 1 29 ALA H . 29 . HN 1 1 218 1 2 1 1 29 ALA HA . 29 . HA 1 1 219 1 1 1 1 29 ALA HA . 29 . HA 1 1 219 1 2 1 1 30 LYS H . 30 . HN 1 1 220 1 1 1 1 29 ALA HA . 29 . HA 1 1 220 1 2 1 1 38 CYS HA . 38 . HA 1 1 221 1 1 1 1 30 LYS H . 30 . HN 1 1 221 1 2 1 1 30 LYS HB2 . 30 . HB2 1 1 222 1 1 1 1 30 LYS H . 30 . HN 1 1 222 1 2 1 1 30 LYS HB3 . 30 . HB3 1 1 223 1 1 1 1 30 LYS H . 30 . HN 1 1 223 1 2 1 1 30 LYS QD . 30 . HD2 1 1 224 1 1 1 1 30 LYS H . 30 . HN 1 1 224 1 2 1 1 37 LYS H . 37 . HN 1 1 225 1 1 1 1 30 LYS H . 30 . HN 1 1 225 1 2 1 1 38 CYS HA . 38 . HA 1 1 226 1 1 1 1 30 LYS HA . 30 . HA 1 1 226 1 2 1 1 30 LYS HB2 . 30 . HB2 1 1 227 1 1 1 1 30 LYS HA . 30 . HA 1 1 227 1 2 1 1 30 LYS HB3 . 30 . HB3 1 1 228 1 1 1 1 30 LYS HA . 30 . HA 1 1 228 1 2 1 1 30 LYS QD . 30 . HD2 1 1 229 1 1 1 1 30 LYS HA . 30 . HA 1 1 229 1 2 1 1 31 CYS QB . 31 . HB2 1 1 230 1 1 1 1 32 ILE H . 32 . HN 1 1 230 1 2 1 1 32 ILE HA . 32 . HA 1 1 231 1 1 1 1 32 ILE H . 32 . HN 1 1 231 1 2 1 1 32 ILE HB . 32 . HB 1 1 232 1 1 1 1 32 ILE H . 32 . HN 1 1 232 1 2 1 1 32 ILE QG . 32 . HG12 1 1 233 1 1 1 1 32 ILE H . 32 . HN 1 1 233 1 2 1 1 33 ASN H . 33 . HN 1 1 234 1 1 1 1 32 ILE H . 32 . HN 1 1 234 1 2 1 1 35 SER H . 35 . HN 1 1 235 1 1 1 1 32 ILE H . 32 . HN 1 1 235 1 2 1 1 36 CYS HA . 36 . HA 1 1 236 1 1 1 1 32 ILE HA . 32 . HA 1 1 236 1 2 1 1 32 ILE HB . 32 . HB 1 1 237 1 1 1 1 32 ILE HA . 32 . HA 1 1 237 1 2 1 1 33 ASN H . 33 . HN 1 1 238 1 1 1 1 32 ILE HB . 32 . HB 1 1 238 1 2 1 1 32 ILE QG . 32 . HG12 1 1 239 1 1 1 1 32 ILE HB . 32 . HB 1 1 239 1 2 1 1 33 ASN H . 33 . HN 1 1 240 1 1 1 1 32 ILE HB . 32 . HB 1 1 240 1 2 1 1 34 LYS H . 34 . HN 1 1 241 1 1 1 1 32 ILE QG . 32 . HG12 1 1 241 1 2 1 1 33 ASN H . 33 . HN 1 1 242 1 1 1 1 32 ILE QG . 32 . HG12 1 1 242 1 2 1 1 37 LYS H . 37 . HN 1 1 243 1 1 1 1 33 ASN H . 33 . HN 1 1 243 1 2 1 1 33 ASN HA . 33 . HA 1 1 244 1 1 1 1 33 ASN H . 33 . HN 1 1 244 1 2 1 1 33 ASN HB2 . 33 . HB2 1 1 245 1 1 1 1 33 ASN H . 33 . HN 1 1 245 1 2 1 1 34 LYS H . 34 . HN 1 1 246 1 1 1 1 33 ASN H . 33 . HN 1 1 246 1 2 1 1 35 SER H . 35 . HN 1 1 247 1 1 1 1 33 ASN HA . 33 . HA 1 1 247 1 2 1 1 33 ASN HB2 . 33 . HB2 1 1 248 1 1 1 1 33 ASN HA . 33 . HA 1 1 248 1 2 1 1 34 LYS H . 34 . HN 1 1 249 1 1 1 1 34 LYS H . 34 . HN 1 1 249 1 2 1 1 34 LYS HA . 34 . HA 1 1 250 1 1 1 1 34 LYS H . 34 . HN 1 1 250 1 2 1 1 34 LYS HB2 . 34 . HB2 1 1 251 1 1 1 1 34 LYS H . 34 . HN 1 1 251 1 2 1 1 34 LYS HB3 . 34 . HB3 1 1 252 1 1 1 1 34 LYS H . 34 . HN 1 1 252 1 2 1 1 34 LYS QG . 34 . HG2 1 1 253 1 1 1 1 34 LYS H . 34 . HN 1 1 253 1 2 1 1 35 SER H . 35 . HN 1 1 254 1 1 1 1 34 LYS HA . 34 . HA 1 1 254 1 2 1 1 34 LYS HB2 . 34 . HB2 1 1 255 1 1 1 1 34 LYS HA . 34 . HA 1 1 255 1 2 1 1 34 LYS HB3 . 34 . HB3 1 1 256 1 1 1 1 34 LYS HA . 34 . HA 1 1 256 1 2 1 1 34 LYS QE . 34 . HE2 1 1 257 1 1 1 1 34 LYS HA . 34 . HA 1 1 257 1 2 1 1 34 LYS QG . 34 . HG2 1 1 258 1 1 1 1 34 LYS HA . 34 . HA 1 1 258 1 2 1 1 35 SER H . 35 . HN 1 1 259 1 1 1 1 34 LYS HB2 . 34 . HB2 1 1 259 1 2 1 1 34 LYS QE . 34 . HE2 1 1 260 1 1 1 1 34 LYS HB2 . 34 . HB2 1 1 260 1 2 1 1 35 SER H . 35 . HN 1 1 261 1 1 1 1 34 LYS HB3 . 34 . HB3 1 1 261 1 2 1 1 34 LYS QE . 34 . HE2 1 1 262 1 1 1 1 34 LYS HB3 . 34 . HB3 1 1 262 1 2 1 1 34 LYS QG . 34 . HG2 1 1 263 1 1 1 1 34 LYS HB3 . 34 . HB3 1 1 263 1 2 1 1 35 SER H . 35 . HN 1 1 264 1 1 1 1 35 SER H . 35 . HN 1 1 264 1 2 1 1 35 SER HA . 35 . HA 1 1 265 1 1 1 1 35 SER H . 35 . HN 1 1 265 1 2 1 1 35 SER HB2 . 35 . HB2 1 1 266 1 1 1 1 35 SER H . 35 . HN 1 1 266 1 2 1 1 35 SER HB3 . 35 . HB3 1 1 267 1 1 1 1 35 SER HA . 35 . HA 1 1 267 1 2 1 1 35 SER HB2 . 35 . HB2 1 1 268 1 1 1 1 35 SER HA . 35 . HA 1 1 268 1 2 1 1 35 SER HB3 . 35 . HB3 1 1 269 1 1 1 1 35 SER HA . 35 . HA 1 1 269 1 2 1 1 36 CYS H . 36 . HN 1 1 270 1 1 1 1 35 SER HB2 . 35 . HB2 1 1 270 1 2 1 1 36 CYS H . 36 . HN 1 1 271 1 1 1 1 35 SER HB3 . 35 . HB3 1 1 271 1 2 1 1 36 CYS H . 36 . HN 1 1 272 1 1 1 1 36 CYS H . 36 . HN 1 1 272 1 2 1 1 36 CYS HA . 36 . HA 1 1 273 1 1 1 1 36 CYS H . 36 . HN 1 1 273 1 2 1 1 36 CYS HB2 . 36 . HB2 1 1 274 1 1 1 1 36 CYS H . 36 . HN 1 1 274 1 2 1 1 36 CYS HB3 . 36 . HB3 1 1 275 1 1 1 1 36 CYS HA . 36 . HA 1 1 275 1 2 1 1 36 CYS HB2 . 36 . HB2 1 1 276 1 1 1 1 36 CYS HA . 36 . HA 1 1 276 1 2 1 1 36 CYS HB3 . 36 . HB3 1 1 277 1 1 1 1 36 CYS HA . 36 . HA 1 1 277 1 2 1 1 37 LYS H . 37 . HN 1 1 278 1 1 1 1 36 CYS HB2 . 36 . HB2 1 1 278 1 2 1 1 37 LYS H . 37 . HN 1 1 279 1 1 1 1 36 CYS HB3 . 36 . HB3 1 1 279 1 2 1 1 37 LYS H . 37 . HN 1 1 280 1 1 1 1 37 LYS H . 37 . HN 1 1 280 1 2 1 1 37 LYS HA . 37 . HA 1 1 281 1 1 1 1 37 LYS H . 37 . HN 1 1 281 1 2 1 1 37 LYS HB2 . 37 . HB2 1 1 282 1 1 1 1 37 LYS H . 37 . HN 1 1 282 1 2 1 1 37 LYS HB3 . 37 . HB3 1 1 283 1 1 1 1 37 LYS H . 37 . HN 1 1 283 1 2 1 1 37 LYS QD . 37 . HD2 1 1 284 1 1 1 1 37 LYS H . 37 . HN 1 1 284 1 2 1 1 37 LYS HE2 . 37 . HE2 1 1 285 1 1 1 1 37 LYS H . 37 . HN 1 1 285 1 2 1 1 37 LYS HE3 . 37 . HE3 1 1 286 1 1 1 1 37 LYS HA . 37 . HA 1 1 286 1 2 1 1 37 LYS HB2 . 37 . HB2 1 1 287 1 1 1 1 37 LYS HA . 37 . HA 1 1 287 1 2 1 1 37 LYS HE2 . 37 . HE2 1 1 288 1 1 1 1 37 LYS HA . 37 . HA 1 1 288 1 2 1 1 37 LYS HE3 . 37 . HE3 1 1 289 1 1 1 1 37 LYS HB3 . 37 . HB3 1 1 289 1 2 1 1 38 CYS H . 38 . HN 1 1 290 1 1 1 1 37 LYS QD . 37 . HD2 1 1 290 1 2 1 1 37 LYS HE2 . 37 . HE2 1 1 291 1 1 1 1 37 LYS QD . 37 . HD2 1 1 291 1 2 1 1 37 LYS HE3 . 37 . HE3 1 1 292 1 1 1 1 38 CYS HA . 38 . HA 1 1 292 1 2 1 1 38 CYS HB3 . 38 . HB3 1 1 293 1 1 1 1 38 CYS HA . 38 . HA 1 1 293 1 2 1 1 39 TYR H . 39 . HN 1 1 294 1 1 1 1 39 TYR H . 39 . HN 1 1 294 1 2 1 1 39 TYR HA . 39 . HA 1 1 295 1 1 1 1 39 TYR H . 39 . HN 1 1 295 1 2 1 1 39 TYR HB2 . 39 . HB2 1 1 296 1 1 1 1 39 TYR H . 39 . HN 1 1 296 1 2 1 1 39 TYR HB3 . 39 . HB3 1 1 297 1 1 1 1 39 TYR H . 39 . HN 1 1 297 1 2 1 1 40 GLY H . 40 . HN 1 1 298 1 1 1 1 39 TYR HA . 39 . HA 1 1 298 1 2 1 1 39 TYR HB3 . 39 . HB3 1 1 299 1 1 1 1 39 TYR HA . 39 . HA 1 1 299 1 2 1 1 40 GLY H . 40 . HN 1 1 300 1 1 1 1 39 TYR HB2 . 39 . HB2 1 1 300 1 2 1 1 40 GLY H . 40 . HN 1 1 301 1 1 1 1 39 TYR HB3 . 39 . HB3 1 1 301 1 2 1 1 40 GLY H . 40 . HN 1 1 302 1 1 1 1 40 GLY H . 40 . HN 1 1 302 1 2 1 1 40 GLY HA2 . 40 . HA1 1 1 303 1 1 1 1 40 GLY HA2 . 40 . HA1 1 1 303 1 2 1 1 41 CYS H . 41 . HN 1 1 304 1 1 1 1 40 GLY HA3 . 40 . HA2 1 1 304 1 2 1 1 41 CYS H . 41 . HN 1 1 305 1 1 1 1 41 CYS H . 41 . HN 1 1 305 1 2 1 1 41 CYS HA . 41 . HA 1 1 306 1 1 1 1 41 CYS H . 41 . HN 1 1 306 1 2 1 1 41 CYS HB2 . 41 . HB2 1 1 307 1 1 1 1 41 CYS H . 41 . HN 1 1 307 1 2 1 1 41 CYS HB3 . 41 . HB3 1 1 308 1 1 1 1 41 CYS HA . 41 . HA 1 1 308 1 2 1 1 41 CYS HB2 . 41 . HB2 1 1 309 1 1 1 1 41 CYS HA . 41 . HA 1 1 309 1 2 1 1 41 CYS HB3 . 41 . HB3 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 . . . . . 3.2 1.9 4.5 1 1 2 1 . . . . . 3.6 2.0 5.2 1 1 3 1 . . . . . 2.9 0.0 6.0 1 1 4 1 . . . . . 2.5 1.8 3.3 1 1 5 1 . . . . . 2.4 1.7 3.1 1 1 6 1 . . . . . 5.0 2.0 6.0 1 1 7 1 . . . . . 2.9 0.0 6.0 1 1 8 1 . . . . . 3.2 2.0 4.4 1 1 9 1 . . . . . 3.6 1.9 5.3 1 1 10 1 . . . . . 2.9 1.8 4.0 1 1 11 1 . . . . . 2.7 1.8 3.6 1 1 12 1 . . . . . 2.9 1.8 4.0 1 1 13 1 . . . . . 3.9 2.0 5.8 1 1 14 1 . . . . . 6.0 1.5 6.0 1 1 15 1 . . . . . 6.0 1.5 6.0 1 1 16 1 . . . . . 3.3 2.0 4.6 1 1 17 1 . . . . . 3.0 1.9 4.1 1 1 18 1 . . . . . 2.8 1.8 3.8 1 1 19 1 . . . . . 3.6 2.0 5.2 1 1 20 1 . . . . . 3.4 1.9 4.9 1 1 21 1 . . . . . 2.7 1.8 3.6 1 1 22 1 . . . . . 2.6 1.8 3.4 1 1 23 1 . . . . . 3.0 1.8 4.2 1 1 24 1 . . . . . 2.5 1.7 3.3 1 1 25 1 . . . . . 2.4 1.7 3.1 1 1 26 1 . . . . . 4.8 1.9 6.0 1 1 27 1 . . . . . 5.0 1.9 6.0 1 1 28 1 . . . . . 2.6 1.8 3.4 1 1 29 1 . . . . . 2.9 1.9 3.9 1 1 30 1 . . . . . 3.0 1.9 4.1 1 1 31 1 . . . . . 2.2 1.6 2.8 1 1 32 1 . . . . . 3.2 1.9 4.5 1 1 33 1 . . . . . 3.0 1.9 4.1 1 1 34 1 . . . . . 2.1 1.6 2.6 1 1 35 1 . . . . . 3.0 1.9 4.1 1 1 36 1 . . . . . 2.9 1.9 3.9 1 1 37 1 . . . . . 3.1 1.9 4.3 1 1 38 1 . . . . . 3.1 1.9 4.3 1 1 39 1 . . . . . 2.1 0.0 6.0 1 1 40 1 . . . . . 4.4 1.9 6.0 1 1 41 1 . . . . . 3.1 0.0 6.0 1 1 42 1 . . . . . 3.4 1.9 4.9 1 1 43 1 . . . . . 2.9 1.8 4.0 1 1 44 1 . . . . . 3.1 1.9 4.3 1 1 45 1 . . . . . 4.0 2.0 6.0 1 1 46 1 . . . . . 4.3 2.0 6.0 1 1 47 1 . . . . . 2.6 1.7 3.5 1 1 48 1 . . . . . 3.0 1.9 4.1 1 1 49 1 . . . . . 3.8 2.0 5.6 1 1 50 1 . . . . . 2.5 1.7 3.3 1 1 51 1 . . . . . 3.7 2.0 5.4 1 1 52 1 . . . . . 3.6 2.0 5.2 1 1 53 1 . . . . . 2.5 1.7 3.3 1 1 54 1 . . . . . 3.3 1.9 4.7 1 1 55 1 . . . . . 2.5 1.7 3.3 1 1 56 1 . . . . . 2.4 1.7 3.1 1 1 57 1 . . . . . 3.7 2.0 5.4 1 1 58 1 . . . . . 2.6 0.0 6.0 1 1 59 1 . . . . . 3.1 1.9 4.3 1 1 60 1 . . . . . 3.4 0.0 6.0 1 1 61 1 . . . . . 2.8 1.8 3.8 1 1 62 1 . . . . . 2.6 1.7 3.5 1 1 63 1 . . . . . 3.5 2.0 5.0 1 1 64 1 . . . . . 2.2 1.6 2.8 1 1 65 1 . . . . . 2.4 1.7 3.1 1 1 66 1 . . . . . 2.8 1.8 3.8 1 1 67 1 . . . . . 2.3 1.6 3.0 1 1 68 1 . . . . . 3.1 1.9 4.3 1 1 69 1 . . . . . 3.8 2.0 5.6 1 1 70 1 . . . . . 3.5 2.0 5.0 1 1 71 1 . . . . . 4.2 2.0 6.0 1 1 72 1 . . . . . 4.8 1.9 6.0 1 1 73 1 . . . . . 3.1 1.9 4.3 1 1 74 1 . . . . . 2.9 1.8 4.0 1 1 75 1 . . . . . 2.4 1.7 3.1 1 1 76 1 . . . . . 3.5 2.0 5.0 1 1 77 1 . . . . . 2.5 1.7 3.3 1 1 78 1 . . . . . 2.6 1.7 3.5 1 1 79 1 . . . . . 2.6 1.7 3.5 1 1 80 1 . . . . . 3.6 2.0 5.2 1 1 81 1 . . . . . 4.1 2.0 6.0 1 1 82 1 . . . . . 2.9 1.9 3.9 1 1 83 1 . . . . . 2.3 1.6 3.0 1 1 84 1 . . . . . 3.3 1.9 4.7 1 1 85 1 . . . . . 2.2 1.6 2.8 1 1 86 1 . . . . . 2.4 1.7 3.1 1 1 87 1 . . . . . 3.5 2.0 5.0 1 1 88 1 . . . . . 2.8 1.8 3.8 1 1 89 1 . . . . . 3.9 2.0 5.8 1 1 90 1 . . . . . 4.2 2.0 6.0 1 1 91 1 . . . . . 3.3 1.9 4.7 1 1 92 1 . . . . . 3.2 1.9 4.5 1 1 93 1 . . . . . 2.7 0.0 6.0 1 1 94 1 . . . . . 2.8 1.8 3.8 1 1 95 1 . . . . . 2.4 1.7 3.1 1 1 96 1 . . . . . 4.1 2.0 6.0 1 1 97 1 . . . . . 2.9 1.9 3.9 1 1 98 1 . . . . . 3.6 2.0 5.2 1 1 99 1 . . . . . 2.9 1.8 4.0 1 1 100 1 . . . . . 2.6 1.7 3.5 1 1 101 1 . . . . . 3.9 2.0 5.8 1 1 102 1 . . . . . 3.0 1.9 4.1 1 1 103 1 . . . . . 2.4 1.7 3.1 1 1 104 1 . . . . . 3.6 2.0 5.2 1 1 105 1 . . . . . 2.6 1.7 3.5 1 1 106 1 . . . . . 4.4 2.0 6.0 1 1 107 1 . . . . . 2.4 1.7 3.1 1 1 108 1 . . . . . 2.2 1.6 2.8 1 1 109 1 . . . . . 3.2 1.9 4.5 1 1 110 1 . . . . . 4.2 2.0 6.0 1 1 111 1 . . . . . 2.7 1.8 3.6 1 1 112 1 . . . . . 3.6 2.0 5.2 1 1 113 1 . . . . . 3.2 1.9 4.5 1 1 114 1 . . . . . 2.7 1.8 3.6 1 1 115 1 . . . . . 3.7 2.0 5.4 1 1 116 1 . . . . . 2.4 1.7 3.1 1 1 117 1 . . . . . 2.7 1.8 3.6 1 1 118 1 . . . . . 2.4 1.7 3.1 1 1 119 1 . . . . . 3.5 2.0 5.0 1 1 120 1 . . . . . 2.6 1.8 3.4 1 1 121 1 . . . . . 2.2 0.0 6.0 1 1 122 1 . . . . . 2.4 1.7 3.1 1 1 123 1 . . . . . 2.4 1.6 3.2 1 1 124 1 . . . . . 2.9 1.9 3.9 1 1 125 1 . . . . . 5.2 1.8 6.0 1 1 126 1 . . . . . 3.6 2.0 5.2 1 1 127 1 . . . . . 2.5 1.7 3.3 1 1 128 1 . . . . . 2.1 1.5 2.7 1 1 129 1 . . . . . 3.7 2.0 5.4 1 1 130 1 . . . . . 2.6 1.8 3.4 1 1 131 1 . . . . . 2.8 1.8 3.8 1 1 132 1 . . . . . 2.8 1.9 3.7 1 1 133 1 . . . . . 4.1 2.0 6.0 1 1 134 1 . . . . . 3.8 2.0 5.6 1 1 135 1 . . . . . 2.8 1.9 3.7 1 1 136 1 . . . . . 3.4 1.9 4.9 1 1 137 1 . . . . . 3.1 0.0 6.0 1 1 138 1 . . . . . 3.7 2.0 5.4 1 1 139 1 . . . . . 2.7 1.8 3.6 1 1 140 1 . . . . . 2.4 1.7 3.1 1 1 141 1 . . . . . 2.4 1.7 3.1 1 1 142 1 . . . . . 5.2 1.8 6.0 1 1 143 1 . . . . . 4.6 2.0 6.0 1 1 144 1 . . . . . 2.6 1.7 3.5 1 1 145 1 . . . . . 3.1 1.9 4.3 1 1 146 1 . . . . . 2.4 1.7 3.1 1 1 147 1 . . . . . 2.8 1.8 3.8 1 1 148 1 . . . . . 2.8 1.8 3.8 1 1 149 1 . . . . . 2.9 1.9 3.9 1 1 150 1 . . . . . 4.1 2.0 6.0 1 1 151 1 . . . . . 4.3 2.0 6.0 1 1 152 1 . . . . . 2.8 1.8 3.8 1 1 153 1 . . . . . 2.6 1.8 3.4 1 1 154 1 . . . . . 2.9 1.9 3.9 1 1 155 1 . . . . . 4.1 2.0 6.0 1 1 156 1 . . . . . 2.9 1.8 4.0 1 1 157 1 . . . . . 4.3 2.0 6.0 1 1 158 1 . . . . . 2.7 1.8 3.6 1 1 159 1 . . . . . 3.9 2.0 5.8 1 1 160 1 . . . . . 2.6 1.7 3.5 1 1 161 1 . . . . . 2.6 1.8 3.4 1 1 162 1 . . . . . 4.2 2.0 6.0 1 1 163 1 . . . . . 4.0 2.0 6.0 1 1 164 1 . . . . . 4.3 2.0 6.0 1 1 165 1 . . . . . 3.0 1.9 4.1 1 1 166 1 . . . . . 2.5 1.7 3.3 1 1 167 1 . . . . . 2.7 1.8 3.6 1 1 168 1 . . . . . 3.5 2.0 5.0 1 1 169 1 . . . . . 2.4 1.7 3.1 1 1 170 1 . . . . . 2.9 1.8 4.0 1 1 171 1 . . . . . 4.3 2.0 6.0 1 1 172 1 . . . . . 4.6 2.0 6.0 1 1 173 1 . . . . . 2.9 1.9 3.9 1 1 174 1 . . . . . 2.5 1.7 3.3 1 1 175 1 . . . . . 4.7 2.0 6.0 1 1 176 1 . . . . . 3.2 1.9 4.5 1 1 177 1 . . . . . 2.4 1.7 3.1 1 1 178 1 . . . . . 3.5 2.0 4.7 1 1 179 1 . . . . . 3.6 1.9 5.3 1 1 180 1 . . . . . 2.3 1.7 3.0 1 1 181 1 . . . . . 2.9 1.9 3.9 1 1 182 1 . . . . . 3.5 1.9 5.1 1 1 183 1 . . . . . 2.9 1.9 3.9 1 1 184 1 . . . . . 2.5 1.7 3.3 1 1 185 1 . . . . . 2.6 0.0 6.0 1 1 186 1 . . . . . 2.2 1.6 2.8 1 1 187 1 . . . . . 2.9 1.9 3.9 1 1 188 1 . . . . . 3.3 1.9 4.7 1 1 189 1 . . . . . 3.0 1.8 4.2 1 1 190 1 . . . . . 2.9 1.9 3.9 1 1 191 1 . . . . . 2.6 1.7 3.5 1 1 192 1 . . . . . 3.2 1.9 4.5 1 1 193 1 . . . . . 2.5 1.7 3.3 1 1 194 1 . . . . . 2.4 1.7 3.1 1 1 195 1 . . . . . 2.3 1.6 3.0 1 1 196 1 . . . . . 3.8 2.0 5.6 1 1 197 1 . . . . . 4.2 2.0 6.0 1 1 198 1 . . . . . 3.2 1.9 4.5 1 1 199 1 . . . . . 3.1 1.9 4.3 1 1 200 1 . . . . . 3.8 2.0 5.6 1 1 201 1 . . . . . 3.2 1.9 4.5 1 1 202 1 . . . . . 3.2 1.9 4.5 1 1 203 1 . . . . . 3.2 2.0 4.4 1 1 204 1 . . . . . 2.9 1.9 3.9 1 1 205 1 . . . . . 1.8 1.4 2.2 1 1 206 1 . . . . . 4.0 2.0 6.0 1 1 207 1 . . . . . 2.6 1.7 3.5 1 1 208 1 . . . . . 6.0 1.5 6.0 1 1 209 1 . . . . . 2.5 1.7 3.3 1 1 210 1 . . . . . 3.6 2.0 5.2 1 1 211 1 . . . . . 2.7 1.8 3.6 1 1 212 1 . . . . . 2.6 1.8 3.4 1 1 213 1 . . . . . 2.8 1.8 3.8 1 1 214 1 . . . . . 3.2 1.9 4.5 1 1 215 1 . . . . . 2.1 1.6 2.6 1 1 216 1 . . . . . 4.3 2.0 6.0 1 1 217 1 . . . . . 4.2 2.0 6.0 1 1 218 1 . . . . . 2.4 1.7 3.1 1 1 219 1 . . . . . 2.2 1.6 2.8 1 1 220 1 . . . . . 2.9 1.9 3.9 1 1 221 1 . . . . . 2.6 1.8 3.4 1 1 222 1 . . . . . 3.0 1.9 4.1 1 1 223 1 . . . . . 3.9 2.0 5.8 1 1 224 1 . . . . . 2.9 1.9 3.9 1 1 225 1 . . . . . 4.5 1.9 6.0 1 1 226 1 . . . . . 2.7 1.8 3.6 1 1 227 1 . . . . . 2.9 1.8 4.0 1 1 228 1 . . . . . 3.6 2.0 5.2 1 1 229 1 . . . . . 6.0 1.5 6.0 1 1 230 1 . . . . . 3.0 1.9 4.1 1 1 231 1 . . . . . 2.9 1.8 4.0 1 1 232 1 . . . . . 3.8 2.0 5.6 1 1 233 1 . . . . . 4.9 1.9 6.0 1 1 234 1 . . . . . 2.8 1.8 3.8 1 1 235 1 . . . . . 3.8 2.0 5.6 1 1 236 1 . . . . . 2.8 1.8 3.8 1 1 237 1 . . . . . 2.1 1.6 2.6 1 1 238 1 . . . . . 2.5 1.7 3.3 1 1 239 1 . . . . . 4.2 1.9 6.0 1 1 240 1 . . . . . 4.6 2.0 6.0 1 1 241 1 . . . . . 6.0 1.1 6.0 1 1 242 1 . . . . . 5.8 1.6 6.0 1 1 243 1 . . . . . 2.2 1.6 2.8 1 1 244 1 . . . . . 3.4 2.0 4.8 1 1 245 1 . . . . . 3.0 1.9 4.1 1 1 246 1 . . . . . 4.7 2.0 6.0 1 1 247 1 . . . . . 2.1 1.6 2.6 1 1 248 1 . . . . . 2.1 0.0 6.0 1 1 249 1 . . . . . 2.1 1.6 2.6 1 1 250 1 . . . . . 3.9 2.0 5.8 1 1 251 1 . . . . . 4.1 2.0 6.0 1 1 252 1 . . . . . 3.6 2.0 5.2 1 1 253 1 . . . . . 2.9 1.8 4.0 1 1 254 1 . . . . . 2.8 1.8 3.8 1 1 255 1 . . . . . 2.5 1.7 3.3 1 1 256 1 . . . . . 6.0 1.5 6.0 1 1 257 1 . . . . . 2.6 1.8 3.4 1 1 258 1 . . . . . 3.0 1.8 4.2 1 1 259 1 . . . . . 3.8 2.0 5.6 1 1 260 1 . . . . . 4.7 2.0 6.0 1 1 261 1 . . . . . 4.1 2.0 6.0 1 1 262 1 . . . . . 2.5 1.7 3.3 1 1 263 1 . . . . . 4.7 1.9 6.0 1 1 264 1 . . . . . 2.7 1.8 3.6 1 1 265 1 . . . . . 2.9 1.9 3.9 1 1 266 1 . . . . . 3.5 2.0 5.0 1 1 267 1 . . . . . 2.8 1.8 3.8 1 1 268 1 . . . . . 2.8 1.8 3.8 1 1 269 1 . . . . . 2.2 1.6 2.8 1 1 270 1 . . . . . 4.1 2.0 6.0 1 1 271 1 . . . . . 3.6 2.0 5.2 1 1 272 1 . . . . . 2.8 1.8 3.8 1 1 273 1 . . . . . 3.5 2.0 5.0 1 1 274 1 . . . . . 3.5 2.0 5.0 1 1 275 1 . . . . . 2.5 1.7 3.3 1 1 276 1 . . . . . 3.0 1.9 4.1 1 1 277 1 . . . . . 2.0 1.5 2.5 1 1 278 1 . . . . . 3.9 2.0 5.8 1 1 279 1 . . . . . 6.0 0.0 6.0 1 1 280 1 . . . . . 3.0 1.9 4.1 1 1 281 1 . . . . . 3.2 1.9 4.5 1 1 282 1 . . . . . 2.7 1.8 3.6 1 1 283 1 . . . . . 4.0 2.0 6.0 1 1 284 1 . . . . . 6.0 1.5 6.0 1 1 285 1 . . . . . 6.0 0.6 6.0 1 1 286 1 . . . . . 2.5 1.7 3.3 1 1 287 1 . . . . . 6.0 1.5 6.0 1 1 288 1 . . . . . 6.0 1.5 6.0 1 1 289 1 . . . . . 3.8 2.0 5.6 1 1 290 1 . . . . . 2.4 1.7 3.1 1 1 291 1 . . . . . 2.4 1.7 3.1 1 1 292 1 . . . . . 2.5 1.7 3.3 1 1 293 1 . . . . . 2.4 1.7 3.1 1 1 294 1 . . . . . 3.0 1.9 4.1 1 1 295 1 . . . . . 2.3 1.6 3.0 1 1 296 1 . . . . . 3.7 2.0 5.4 1 1 297 1 . . . . . 2.6 1.8 3.4 1 1 298 1 . . . . . 2.6 1.8 3.4 1 1 299 1 . . . . . 3.5 1.9 5.1 1 1 300 1 . . . . . 4.1 2.0 6.0 1 1 301 1 . . . . . 4.5 1.9 6.0 1 1 302 1 . . . . . 2.3 1.6 3.0 1 1 303 1 . . . . . 2.6 1.7 3.5 1 1 304 1 . . . . . 2.7 1.8 3.6 1 1 305 1 . . . . . 2.9 1.9 3.9 1 1 306 1 . . . . . 2.5 1.7 3.3 1 1 307 1 . . . . . 3.1 1.9 4.3 1 1 308 1 . . . . . 2.9 1.9 3.9 1 1 309 1 . . . . . 2.8 1.8 3.8 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 TRP C C 5.758 2.802 10.024 1.00 . A A . 1 TRP C 1 1 1 2 1 1 1 TRP CA C 5.878 1.293 10.170 1.00 . A A . 1 TRP CA 1 1 1 3 1 1 1 TRP CB C 5.310 0.870 11.526 1.00 . A A . 1 TRP CB 1 1 1 4 1 1 1 TRP CD1 C 4.262 -1.397 10.975 1.00 . A A . 1 TRP CD1 1 1 1 5 1 1 1 TRP CD2 C 5.824 -1.475 12.574 1.00 . A A . 1 TRP CD2 1 1 1 6 1 1 1 TRP CE2 C 5.337 -2.778 12.358 1.00 . A A . 1 TRP CE2 1 1 1 7 1 1 1 TRP CE3 C 6.820 -1.279 13.534 1.00 . A A . 1 TRP CE3 1 1 1 8 1 1 1 TRP CG C 5.133 -0.609 11.669 1.00 . A A . 1 TRP CG 1 1 1 9 1 1 1 TRP CH2 C 6.775 -3.656 14.008 1.00 . A A . 1 TRP CH2 1 1 1 10 1 1 1 TRP CZ2 C 5.801 -3.876 13.076 1.00 . A A . 1 TRP CZ2 1 1 1 11 1 1 1 TRP CZ3 C 7.280 -2.370 14.245 1.00 . A A . 1 TRP CZ3 1 1 1 12 1 1 1 TRP H1 H 7.846 1.292 10.807 1.00 . A A . 1 TRP H1 1 1 1 13 1 1 1 TRP H2 H 7.636 1.186 9.104 1.00 . A A . 1 TRP H2 1 1 1 14 1 1 1 TRP H3 H 7.320 -0.176 10.091 1.00 . A A . 1 TRP H3 1 1 1 15 1 1 1 TRP HA H 5.309 0.820 9.390 1.00 . A A . 1 TRP HA 1 1 1 16 1 1 1 TRP HB2 H 5.976 1.208 12.306 1.00 . A A . 1 TRP HB2 1 1 1 17 1 1 1 TRP HB3 H 4.339 1.329 11.670 1.00 . A A . 1 TRP HB3 1 1 1 18 1 1 1 TRP HD1 H 3.586 -1.033 10.217 1.00 . A A . 1 TRP HD1 1 1 1 19 1 1 1 TRP HE1 H 3.871 -3.459 11.023 1.00 . A A . 1 TRP HE1 1 1 1 20 1 1 1 TRP HE3 H 7.221 -0.296 13.731 1.00 . A A . 1 TRP HE3 1 1 1 21 1 1 1 TRP HH2 H 7.164 -4.479 14.589 1.00 . A A . 1 TRP HH2 1 1 1 22 1 1 1 TRP HZ2 H 5.422 -4.873 12.905 1.00 . A A . 1 TRP HZ2 1 1 1 23 1 1 1 TRP HZ3 H 8.050 -2.239 14.991 1.00 . A A . 1 TRP HZ3 1 1 1 24 1 1 1 TRP N N 7.290 0.863 10.034 1.00 . A A . 1 TRP N 1 1 1 25 1 1 1 TRP NE1 N 4.383 -2.703 11.380 1.00 . A A . 1 TRP NE1 1 1 1 26 1 1 1 TRP O O 6.636 3.552 10.453 1.00 . A A . 1 TRP O 1 1 1 27 1 1 2 CYS C C 3.618 5.184 10.457 1.00 . A A . 2 CYS C 1 1 1 28 1 1 2 CYS CA C 4.403 4.663 9.260 1.00 . A A . 2 CYS CA 1 1 1 29 1 1 2 CYS CB C 3.630 4.912 7.965 1.00 . A A . 2 CYS CB 1 1 1 30 1 1 2 CYS H H 3.999 2.589 9.111 1.00 . A A . 2 CYS H 1 1 1 31 1 1 2 CYS HA H 5.336 5.176 9.214 1.00 . A A . 2 CYS HA 1 1 1 32 1 1 2 CYS HB2 H 3.463 5.972 7.851 1.00 . A A . 2 CYS HB2 1 1 1 33 1 1 2 CYS HB3 H 4.220 4.567 7.140 1.00 . A A . 2 CYS HB3 1 1 1 34 1 1 2 CYS N N 4.664 3.244 9.421 1.00 . A A . 2 CYS N 1 1 1 35 1 1 2 CYS O O 2.602 4.608 10.844 1.00 . A A . 2 CYS O 1 1 1 36 1 1 2 CYS SG S 2.028 4.053 7.874 1.00 . A A . 2 CYS SG 1 1 1 37 1 1 3 SER C C 2.331 7.760 11.804 1.00 . A A . 3 SER C 1 1 1 38 1 1 3 SER CA C 3.455 6.821 12.226 1.00 . A A . 3 SER CA 1 1 1 39 1 1 3 SER CB C 4.483 7.555 13.082 1.00 . A A . 3 SER CB 1 1 1 40 1 1 3 SER H H 4.936 6.667 10.723 1.00 . A A . 3 SER H 1 1 1 41 1 1 3 SER HA H 3.030 6.017 12.817 1.00 . A A . 3 SER HA 1 1 1 42 1 1 3 SER HB2 H 3.984 8.126 13.855 1.00 . A A . 3 SER HB2 1 1 1 43 1 1 3 SER HB3 H 5.141 6.832 13.542 1.00 . A A . 3 SER HB3 1 1 1 44 1 1 3 SER HG H 5.767 9.021 12.862 1.00 . A A . 3 SER HG 1 1 1 45 1 1 3 SER N N 4.106 6.252 11.061 1.00 . A A . 3 SER N 1 1 1 46 1 1 3 SER O O 1.328 7.909 12.503 1.00 . A A . 3 SER O 1 1 1 47 1 1 3 SER OG O 5.264 8.437 12.290 1.00 . A A . 3 SER OG 1 1 1 48 1 1 4 THR C C 0.425 8.529 9.335 1.00 . A A . 4 THR C 1 1 1 49 1 1 4 THR CA C 1.500 9.295 10.112 1.00 . A A . 4 THR CA 1 1 1 50 1 1 4 THR CB C 2.175 10.335 9.197 1.00 . A A . 4 THR CB 1 1 1 51 1 1 4 THR CG2 C 1.267 11.538 8.956 1.00 . A A . 4 THR CG2 1 1 1 52 1 1 4 THR H H 3.309 8.211 10.112 1.00 . A A . 4 THR H 1 1 1 53 1 1 4 THR HA H 1.028 9.809 10.944 1.00 . A A . 4 THR HA 1 1 1 54 1 1 4 THR HB H 2.415 9.888 8.240 1.00 . A A . 4 THR HB 1 1 1 55 1 1 4 THR HG1 H 3.222 11.192 10.666 1.00 . A A . 4 THR HG1 1 1 1 56 1 1 4 THR HG21 H 0.354 11.219 8.479 1.00 . A A . 4 THR HG21 1 1 1 57 1 1 4 THR HG22 H 1.774 12.247 8.319 1.00 . A A . 4 THR HG22 1 1 1 58 1 1 4 THR HG23 H 1.034 12.009 9.900 1.00 . A A . 4 THR HG23 1 1 1 59 1 1 4 THR N N 2.496 8.374 10.643 1.00 . A A . 4 THR N 1 1 1 60 1 1 4 THR O O 0.126 8.838 8.182 1.00 . A A . 4 THR O 1 1 1 61 1 1 4 THR OG1 O 3.394 10.776 9.810 1.00 . A A . 4 THR OG1 1 1 1 62 1 1 5 CYS C C -2.294 6.398 10.311 1.00 . A A . 5 CYS C 1 1 1 63 1 1 5 CYS CA C -1.152 6.680 9.348 1.00 . A A . 5 CYS CA 1 1 1 64 1 1 5 CYS CB C -0.536 5.363 8.867 1.00 . A A . 5 CYS CB 1 1 1 65 1 1 5 CYS H H 0.125 7.304 10.894 1.00 . A A . 5 CYS H 1 1 1 66 1 1 5 CYS HA H -1.552 7.201 8.495 1.00 . A A . 5 CYS HA 1 1 1 67 1 1 5 CYS HB2 H -0.067 4.870 9.706 1.00 . A A . 5 CYS HB2 1 1 1 68 1 1 5 CYS HB3 H -1.316 4.724 8.471 1.00 . A A . 5 CYS HB3 1 1 1 69 1 1 5 CYS N N -0.143 7.517 9.979 1.00 . A A . 5 CYS N 1 1 1 70 1 1 5 CYS O O -2.186 5.533 11.181 1.00 . A A . 5 CYS O 1 1 1 71 1 1 5 CYS SG S 0.715 5.568 7.564 1.00 . A A . 5 CYS SG 1 1 1 72 1 1 6 LEU C C -5.656 6.328 10.052 1.00 . A A . 6 LEU C 1 1 1 73 1 1 6 LEU CA C -4.569 6.885 10.957 1.00 . A A . 6 LEU CA 1 1 1 74 1 1 6 LEU CB C -5.058 8.162 11.648 1.00 . A A . 6 LEU CB 1 1 1 75 1 1 6 LEU CD1 C -5.816 7.114 13.787 1.00 . A A . 6 LEU CD1 1 1 1 76 1 1 6 LEU CD2 C -6.783 9.309 13.065 1.00 . A A . 6 LEU CD2 1 1 1 77 1 1 6 LEU CG C -6.237 7.966 12.601 1.00 . A A . 6 LEU CG 1 1 1 78 1 1 6 LEU H H -3.410 7.838 9.474 1.00 . A A . 6 LEU H 1 1 1 79 1 1 6 LEU HA H -4.347 6.143 11.711 1.00 . A A . 6 LEU HA 1 1 1 80 1 1 6 LEU HB2 H -4.228 8.571 12.211 1.00 . A A . 6 LEU HB2 1 1 1 81 1 1 6 LEU HB3 H -5.334 8.887 10.898 1.00 . A A . 6 LEU HB3 1 1 1 82 1 1 6 LEU HD11 H -5.523 6.133 13.447 1.00 . A A . 6 LEU HD11 1 1 1 83 1 1 6 LEU HD12 H -6.646 7.014 14.475 1.00 . A A . 6 LEU HD12 1 1 1 84 1 1 6 LEU HD13 H -4.985 7.582 14.297 1.00 . A A . 6 LEU HD13 1 1 1 85 1 1 6 LEU HD21 H -6.015 9.851 13.600 1.00 . A A . 6 LEU HD21 1 1 1 86 1 1 6 LEU HD22 H -7.630 9.150 13.718 1.00 . A A . 6 LEU HD22 1 1 1 87 1 1 6 LEU HD23 H -7.099 9.887 12.208 1.00 . A A . 6 LEU HD23 1 1 1 88 1 1 6 LEU HG H -7.032 7.446 12.087 1.00 . A A . 6 LEU HG 1 1 1 89 1 1 6 LEU N N -3.376 7.144 10.173 1.00 . A A . 6 LEU N 1 1 1 90 1 1 6 LEU O O -5.971 5.138 10.099 1.00 . A A . 6 LEU O 1 1 1 91 1 1 7 ASP C C -7.069 7.628 6.977 1.00 . A A . 7 ASP C 1 1 1 92 1 1 7 ASP CA C -7.214 6.802 8.246 1.00 . A A . 7 ASP CA 1 1 1 93 1 1 7 ASP CB C -8.616 6.980 8.834 1.00 . A A . 7 ASP CB 1 1 1 94 1 1 7 ASP CG C -9.705 6.471 7.906 1.00 . A A . 7 ASP CG 1 1 1 95 1 1 7 ASP H H -5.874 8.121 9.186 1.00 . A A . 7 ASP H 1 1 1 96 1 1 7 ASP HA H -7.072 5.753 7.996 1.00 . A A . 7 ASP HA 1 1 1 97 1 1 7 ASP HB2 H -8.679 6.431 9.762 1.00 . A A . 7 ASP HB2 1 1 1 98 1 1 7 ASP HB3 H -8.794 8.029 9.032 1.00 . A A . 7 ASP HB3 1 1 1 99 1 1 7 ASP N N -6.191 7.191 9.204 1.00 . A A . 7 ASP N 1 1 1 100 1 1 7 ASP O O -7.514 8.776 6.914 1.00 . A A . 7 ASP O 1 1 1 101 1 1 7 ASP OD1 O -9.888 5.236 7.824 1.00 . A A . 7 ASP OD1 1 1 1 102 1 1 7 ASP OD2 O -10.390 7.300 7.270 1.00 . A A . 7 ASP OD2 1 1 1 103 1 1 8 LEU C C -7.142 7.266 3.652 1.00 . A A . 8 LEU C 1 1 1 104 1 1 8 LEU CA C -6.165 7.739 4.723 1.00 . A A . 8 LEU CA 1 1 1 105 1 1 8 LEU CB C -4.723 7.511 4.248 1.00 . A A . 8 LEU CB 1 1 1 106 1 1 8 LEU CD1 C -3.406 7.276 6.392 1.00 . A A . 8 LEU CD1 1 1 1 107 1 1 8 LEU CD2 C -2.317 8.216 4.350 1.00 . A A . 8 LEU CD2 1 1 1 108 1 1 8 LEU CG C -3.614 8.102 5.133 1.00 . A A . 8 LEU CG 1 1 1 109 1 1 8 LEU H H -6.062 6.136 6.100 1.00 . A A . 8 LEU H 1 1 1 110 1 1 8 LEU HA H -6.308 8.799 4.871 1.00 . A A . 8 LEU HA 1 1 1 111 1 1 8 LEU HB2 H -4.559 6.445 4.150 1.00 . A A . 8 LEU HB2 1 1 1 112 1 1 8 LEU HB3 H -4.632 7.958 3.264 1.00 . A A . 8 LEU HB3 1 1 1 113 1 1 8 LEU HD11 H -3.320 6.228 6.138 1.00 . A A . 8 LEU HD11 1 1 1 114 1 1 8 LEU HD12 H -4.236 7.419 7.063 1.00 . A A . 8 LEU HD12 1 1 1 115 1 1 8 LEU HD13 H -2.504 7.598 6.882 1.00 . A A . 8 LEU HD13 1 1 1 116 1 1 8 LEU HD21 H -1.992 7.233 4.037 1.00 . A A . 8 LEU HD21 1 1 1 117 1 1 8 LEU HD22 H -1.555 8.665 4.972 1.00 . A A . 8 LEU HD22 1 1 1 118 1 1 8 LEU HD23 H -2.473 8.836 3.478 1.00 . A A . 8 LEU HD23 1 1 1 119 1 1 8 LEU HG H -3.901 9.099 5.439 1.00 . A A . 8 LEU HG 1 1 1 120 1 1 8 LEU N N -6.415 7.050 5.984 1.00 . A A . 8 LEU N 1 1 1 121 1 1 8 LEU O O -6.749 7.019 2.507 1.00 . A A . 8 LEU O 1 1 1 122 1 1 9 ALA C C -9.573 7.406 1.864 1.00 . A A . 9 ALA C 1 1 1 123 1 1 9 ALA CA C -9.475 6.630 3.174 1.00 . A A . 9 ALA CA 1 1 1 124 1 1 9 ALA CB C -10.804 6.670 3.903 1.00 . A A . 9 ALA CB 1 1 1 125 1 1 9 ALA H H -8.655 7.376 4.963 1.00 . A A . 9 ALA H 1 1 1 126 1 1 9 ALA HA H -9.248 5.595 2.957 1.00 . A A . 9 ALA HA 1 1 1 127 1 1 9 ALA HB1 H -11.581 6.279 3.264 1.00 . A A . 9 ALA HB1 1 1 1 128 1 1 9 ALA HB2 H -11.039 7.690 4.173 1.00 . A A . 9 ALA HB2 1 1 1 129 1 1 9 ALA HB3 H -10.739 6.069 4.798 1.00 . A A . 9 ALA HB3 1 1 1 130 1 1 9 ALA N N -8.416 7.150 4.040 1.00 . A A . 9 ALA N 1 1 1 131 1 1 9 ALA O O -10.388 8.320 1.723 1.00 . A A . 9 ALA O 1 1 1 132 1 1 10 CYS C C -8.251 9.145 -0.193 1.00 . A A . 10 CYS C 1 1 1 133 1 1 10 CYS CA C -8.644 7.686 -0.371 1.00 . A A . 10 CYS CA 1 1 1 134 1 1 10 CYS CB C -9.943 7.557 -1.170 1.00 . A A . 10 CYS CB 1 1 1 135 1 1 10 CYS H H -8.108 6.282 1.095 1.00 . A A . 10 CYS H 1 1 1 136 1 1 10 CYS HA H -7.839 7.226 -0.902 1.00 . A A . 10 CYS HA 1 1 1 137 1 1 10 CYS HB2 H -10.788 7.748 -0.533 1.00 . A A . 10 CYS HB2 1 1 1 138 1 1 10 CYS HB3 H -9.946 8.275 -1.980 1.00 . A A . 10 CYS HB3 1 1 1 139 1 1 10 CYS N N -8.732 7.022 0.916 1.00 . A A . 10 CYS N 1 1 1 140 1 1 10 CYS O O -8.866 10.046 -0.764 1.00 . A A . 10 CYS O 1 1 1 141 1 1 10 CYS SG S -10.187 5.913 -1.926 1.00 . A A . 10 CYS SG 1 1 1 142 1 1 11 THR C C -5.721 10.906 -0.481 1.00 . A A . 11 THR C 1 1 1 143 1 1 11 THR CA C -6.629 10.693 0.725 1.00 . A A . 11 THR CA 1 1 1 144 1 1 11 THR CB C -5.816 10.827 2.029 1.00 . A A . 11 THR CB 1 1 1 145 1 1 11 THR CG2 C -5.377 12.265 2.269 1.00 . A A . 11 THR CG2 1 1 1 146 1 1 11 THR H H -6.767 8.611 1.051 1.00 . A A . 11 THR H 1 1 1 147 1 1 11 THR HA H -7.420 11.436 0.713 1.00 . A A . 11 THR HA 1 1 1 148 1 1 11 THR HB H -4.929 10.207 1.971 1.00 . A A . 11 THR HB 1 1 1 149 1 1 11 THR HG1 H -7.413 10.902 3.223 1.00 . A A . 11 THR HG1 1 1 1 150 1 1 11 THR HG21 H -6.238 12.918 2.248 1.00 . A A . 11 THR HG21 1 1 1 151 1 1 11 THR HG22 H -4.680 12.563 1.502 1.00 . A A . 11 THR HG22 1 1 1 152 1 1 11 THR HG23 H -4.898 12.336 3.234 1.00 . A A . 11 THR HG23 1 1 1 153 1 1 11 THR N N -7.221 9.372 0.614 1.00 . A A . 11 THR N 1 1 1 154 1 1 11 THR O O -5.317 12.023 -0.805 1.00 . A A . 11 THR O 1 1 1 155 1 1 11 THR OG1 O -6.604 10.379 3.139 1.00 . A A . 11 THR OG1 1 1 1 156 1 1 12 GLY C C -3.736 8.569 -2.354 1.00 . A A . 12 GLY C 1 1 1 157 1 1 12 GLY CA C -4.612 9.799 -2.328 1.00 . A A . 12 GLY CA 1 1 1 158 1 1 12 GLY H H -5.812 8.939 -0.867 1.00 . A A . 12 GLY H 1 1 1 159 1 1 12 GLY HA2 H -5.241 9.818 -3.207 1.00 . A A . 12 GLY HA2 1 1 1 160 1 1 12 GLY HA3 H -3.974 10.675 -2.335 1.00 . A A . 12 GLY HA3 1 1 1 161 1 1 12 GLY N N -5.450 9.799 -1.157 1.00 . A A . 12 GLY N 1 1 1 162 1 1 12 GLY O O -3.017 8.300 -1.396 1.00 . A A . 12 GLY O 1 1 1 163 1 1 13 SER C C -1.500 7.022 -3.529 1.00 . A A . 13 SER C 1 1 1 164 1 1 13 SER CA C -2.967 6.615 -3.553 1.00 . A A . 13 SER CA 1 1 1 165 1 1 13 SER CB C -3.291 5.867 -4.842 1.00 . A A . 13 SER CB 1 1 1 166 1 1 13 SER H H -4.425 8.034 -4.158 1.00 . A A . 13 SER H 1 1 1 167 1 1 13 SER HA H -3.162 5.963 -2.711 1.00 . A A . 13 SER HA 1 1 1 168 1 1 13 SER HB2 H -3.045 6.486 -5.694 1.00 . A A . 13 SER HB2 1 1 1 169 1 1 13 SER HB3 H -2.718 4.951 -4.882 1.00 . A A . 13 SER HB3 1 1 1 170 1 1 13 SER HG H -4.884 5.223 -5.779 1.00 . A A . 13 SER HG 1 1 1 171 1 1 13 SER N N -3.812 7.793 -3.423 1.00 . A A . 13 SER N 1 1 1 172 1 1 13 SER O O -0.686 6.415 -2.832 1.00 . A A . 13 SER O 1 1 1 173 1 1 13 SER OG O -4.668 5.545 -4.901 1.00 . A A . 13 SER OG 1 1 1 174 1 1 14 LYS C C 0.552 9.153 -2.899 1.00 . A A . 14 LYS C 1 1 1 175 1 1 14 LYS CA C 0.176 8.620 -4.279 1.00 . A A . 14 LYS CA 1 1 1 176 1 1 14 LYS CB C 0.300 9.726 -5.329 1.00 . A A . 14 LYS CB 1 1 1 177 1 1 14 LYS CD C 0.158 10.383 -7.749 1.00 . A A . 14 LYS CD 1 1 1 178 1 1 14 LYS CE C -0.119 9.911 -9.167 1.00 . A A . 14 LYS CE 1 1 1 179 1 1 14 LYS CG C 0.051 9.245 -6.749 1.00 . A A . 14 LYS CG 1 1 1 180 1 1 14 LYS H H -1.879 8.546 -4.780 1.00 . A A . 14 LYS H 1 1 1 181 1 1 14 LYS HA H 0.845 7.827 -4.531 1.00 . A A . 14 LYS HA 1 1 1 182 1 1 14 LYS HB2 H -0.418 10.503 -5.100 1.00 . A A . 14 LYS HB2 1 1 1 183 1 1 14 LYS HB3 H 1.298 10.144 -5.284 1.00 . A A . 14 LYS HB3 1 1 1 184 1 1 14 LYS HD2 H -0.561 11.148 -7.493 1.00 . A A . 14 LYS HD2 1 1 1 185 1 1 14 LYS HD3 H 1.156 10.796 -7.707 1.00 . A A . 14 LYS HD3 1 1 1 186 1 1 14 LYS HE2 H 0.614 9.165 -9.438 1.00 . A A . 14 LYS HE2 1 1 1 187 1 1 14 LYS HE3 H -1.108 9.475 -9.206 1.00 . A A . 14 LYS HE3 1 1 1 188 1 1 14 LYS HG2 H 0.784 8.490 -6.995 1.00 . A A . 14 LYS HG2 1 1 1 189 1 1 14 LYS HG3 H -0.941 8.818 -6.803 1.00 . A A . 14 LYS HG3 1 1 1 190 1 1 14 LYS HZ1 H -0.241 10.676 -11.100 1.00 . A A . 14 LYS HZ1 1 1 1 191 1 1 14 LYS HZ2 H 0.900 11.460 -10.130 1.00 . A A . 14 LYS HZ2 1 1 1 192 1 1 14 LYS HZ3 H -0.753 11.759 -9.907 1.00 . A A . 14 LYS HZ3 1 1 1 193 1 1 14 LYS N N -1.178 8.082 -4.263 1.00 . A A . 14 LYS N 1 1 1 194 1 1 14 LYS NZ N -0.048 11.029 -10.141 1.00 . A A . 14 LYS NZ 1 1 1 195 1 1 14 LYS O O 1.725 9.179 -2.529 1.00 . A A . 14 LYS O 1 1 1 196 1 1 15 ASP C C 0.105 8.804 0.116 1.00 . A A . 15 ASP C 1 1 1 197 1 1 15 ASP CA C -0.229 10.000 -0.759 1.00 . A A . 15 ASP CA 1 1 1 198 1 1 15 ASP CB C -1.459 10.711 -0.185 1.00 . A A . 15 ASP CB 1 1 1 199 1 1 15 ASP CG C -1.141 11.433 1.109 1.00 . A A . 15 ASP CG 1 1 1 200 1 1 15 ASP H H -1.368 9.519 -2.461 1.00 . A A . 15 ASP H 1 1 1 201 1 1 15 ASP HA H 0.614 10.684 -0.756 1.00 . A A . 15 ASP HA 1 1 1 202 1 1 15 ASP HB2 H -1.811 11.439 -0.901 1.00 . A A . 15 ASP HB2 1 1 1 203 1 1 15 ASP HB3 H -2.245 9.999 0.010 1.00 . A A . 15 ASP HB3 1 1 1 204 1 1 15 ASP N N -0.454 9.557 -2.129 1.00 . A A . 15 ASP N 1 1 1 205 1 1 15 ASP O O 1.006 8.868 0.947 1.00 . A A . 15 ASP O 1 1 1 206 1 1 15 ASP OD1 O -0.578 12.548 1.042 1.00 . A A . 15 ASP OD1 1 1 1 207 1 1 15 ASP OD2 O -1.427 10.889 2.195 1.00 . A A . 15 ASP OD2 1 1 1 208 1 1 16 CYS C C 0.776 5.698 0.232 1.00 . A A . 16 CYS C 1 1 1 209 1 1 16 CYS CA C -0.455 6.487 0.666 1.00 . A A . 16 CYS CA 1 1 1 210 1 1 16 CYS CB C -1.698 5.606 0.540 1.00 . A A . 16 CYS CB 1 1 1 211 1 1 16 CYS H H -1.317 7.732 -0.804 1.00 . A A . 16 CYS H 1 1 1 212 1 1 16 CYS HA H -0.332 6.757 1.705 1.00 . A A . 16 CYS HA 1 1 1 213 1 1 16 CYS HB2 H -1.915 5.449 -0.506 1.00 . A A . 16 CYS HB2 1 1 1 214 1 1 16 CYS HB3 H -1.515 4.649 1.012 1.00 . A A . 16 CYS HB3 1 1 1 215 1 1 16 CYS N N -0.620 7.713 -0.106 1.00 . A A . 16 CYS N 1 1 1 216 1 1 16 CYS O O 1.208 4.790 0.940 1.00 . A A . 16 CYS O 1 1 1 217 1 1 16 CYS SG S -3.186 6.317 1.313 1.00 . A A . 16 CYS SG 1 1 1 218 1 1 17 TYR C C 3.669 5.474 -0.361 1.00 . A A . 17 TYR C 1 1 1 219 1 1 17 TYR CA C 2.562 5.404 -1.412 1.00 . A A . 17 TYR CA 1 1 1 220 1 1 17 TYR CB C 3.044 6.061 -2.713 1.00 . A A . 17 TYR CB 1 1 1 221 1 1 17 TYR CD1 C 1.388 4.557 -3.905 1.00 . A A . 17 TYR CD1 1 1 1 222 1 1 17 TYR CD2 C 2.599 6.152 -5.199 1.00 . A A . 17 TYR CD2 1 1 1 223 1 1 17 TYR CE1 C 0.744 4.116 -5.045 1.00 . A A . 17 TYR CE1 1 1 1 224 1 1 17 TYR CE2 C 1.959 5.715 -6.343 1.00 . A A . 17 TYR CE2 1 1 1 225 1 1 17 TYR CG C 2.327 5.582 -3.960 1.00 . A A . 17 TYR CG 1 1 1 226 1 1 17 TYR CZ C 1.031 4.698 -6.259 1.00 . A A . 17 TYR CZ 1 1 1 227 1 1 17 TYR H H 0.933 6.753 -1.473 1.00 . A A . 17 TYR H 1 1 1 228 1 1 17 TYR HA H 2.363 4.360 -1.577 1.00 . A A . 17 TYR HA 1 1 1 229 1 1 17 TYR HB2 H 2.907 7.125 -2.643 1.00 . A A . 17 TYR HB2 1 1 1 230 1 1 17 TYR HB3 H 4.099 5.856 -2.854 1.00 . A A . 17 TYR HB3 1 1 1 231 1 1 17 TYR HD1 H 1.142 4.090 -2.971 1.00 . A A . 17 TYR HD1 1 1 1 232 1 1 17 TYR HD2 H 3.325 6.950 -5.266 1.00 . A A . 17 TYR HD2 1 1 1 233 1 1 17 TYR HE1 H 0.025 3.330 -4.987 1.00 . A A . 17 TYR HE1 1 1 1 234 1 1 17 TYR HE2 H 2.185 6.171 -7.296 1.00 . A A . 17 TYR HE2 1 1 1 235 1 1 17 TYR HH H -0.378 4.813 -7.562 1.00 . A A . 17 TYR HH 1 1 1 236 1 1 17 TYR N N 1.327 6.033 -0.933 1.00 . A A . 17 TYR N 1 1 1 237 1 1 17 TYR O O 4.333 4.476 -0.083 1.00 . A A . 17 TYR O 1 1 1 238 1 1 17 TYR OH O 0.389 4.261 -7.395 1.00 . A A . 17 TYR OH 1 1 1 239 1 1 18 ALA C C 4.612 6.018 2.505 1.00 . A A . 18 ALA C 1 1 1 240 1 1 18 ALA CA C 4.899 6.835 1.234 1.00 . A A . 18 ALA CA 1 1 1 241 1 1 18 ALA CB C 5.090 8.314 1.550 1.00 . A A . 18 ALA CB 1 1 1 242 1 1 18 ALA H H 3.289 7.414 -0.025 1.00 . A A . 18 ALA H 1 1 1 243 1 1 18 ALA HA H 5.831 6.476 0.809 1.00 . A A . 18 ALA HA 1 1 1 244 1 1 18 ALA HB1 H 5.387 8.447 2.583 1.00 . A A . 18 ALA HB1 1 1 1 245 1 1 18 ALA HB2 H 4.173 8.855 1.369 1.00 . A A . 18 ALA HB2 1 1 1 246 1 1 18 ALA HB3 H 5.863 8.712 0.909 1.00 . A A . 18 ALA HB3 1 1 1 247 1 1 18 ALA N N 3.857 6.648 0.229 1.00 . A A . 18 ALA N 1 1 1 248 1 1 18 ALA O O 5.462 5.236 2.930 1.00 . A A . 18 ALA O 1 1 1 249 1 1 19 PRO C C 3.167 3.865 4.024 1.00 . A A . 19 PRO C 1 1 1 250 1 1 19 PRO CA C 3.016 5.362 4.282 1.00 . A A . 19 PRO CA 1 1 1 251 1 1 19 PRO CB C 1.541 5.713 4.452 1.00 . A A . 19 PRO CB 1 1 1 252 1 1 19 PRO CD C 2.415 7.215 2.831 1.00 . A A . 19 PRO CD 1 1 1 253 1 1 19 PRO CG C 1.437 7.109 3.965 1.00 . A A . 19 PRO CG 1 1 1 254 1 1 19 PRO HA H 3.558 5.630 5.177 1.00 . A A . 19 PRO HA 1 1 1 255 1 1 19 PRO HB2 H 0.918 5.051 3.862 1.00 . A A . 19 PRO HB2 1 1 1 256 1 1 19 PRO HB3 H 1.278 5.639 5.459 1.00 . A A . 19 PRO HB3 1 1 1 257 1 1 19 PRO HD2 H 1.939 7.015 1.906 1.00 . A A . 19 PRO HD2 1 1 1 258 1 1 19 PRO HD3 H 2.849 8.195 2.831 1.00 . A A . 19 PRO HD3 1 1 1 259 1 1 19 PRO HG2 H 0.434 7.307 3.622 1.00 . A A . 19 PRO HG2 1 1 1 260 1 1 19 PRO HG3 H 1.706 7.794 4.755 1.00 . A A . 19 PRO HG3 1 1 1 261 1 1 19 PRO N N 3.425 6.185 3.137 1.00 . A A . 19 PRO N 1 1 1 262 1 1 19 PRO O O 3.695 3.136 4.861 1.00 . A A . 19 PRO O 1 1 1 263 1 1 20 CYS C C 4.248 1.565 2.419 1.00 . A A . 20 CYS C 1 1 1 264 1 1 20 CYS CA C 2.789 1.999 2.510 1.00 . A A . 20 CYS CA 1 1 1 265 1 1 20 CYS CB C 2.062 1.732 1.190 1.00 . A A . 20 CYS CB 1 1 1 266 1 1 20 CYS H H 2.292 4.041 2.228 1.00 . A A . 20 CYS H 1 1 1 267 1 1 20 CYS HA H 2.307 1.427 3.293 1.00 . A A . 20 CYS HA 1 1 1 268 1 1 20 CYS HB2 H 1.031 2.035 1.291 1.00 . A A . 20 CYS HB2 1 1 1 269 1 1 20 CYS HB3 H 2.526 2.314 0.406 1.00 . A A . 20 CYS HB3 1 1 1 270 1 1 20 CYS N N 2.705 3.410 2.864 1.00 . A A . 20 CYS N 1 1 1 271 1 1 20 CYS O O 4.615 0.489 2.895 1.00 . A A . 20 CYS O 1 1 1 272 1 1 20 CYS SG S 2.073 -0.013 0.668 1.00 . A A . 20 CYS SG 1 1 1 273 1 1 21 ARG C C 7.087 2.046 3.181 1.00 . A A . 21 ARG C 1 1 1 274 1 1 21 ARG CA C 6.517 2.171 1.773 1.00 . A A . 21 ARG CA 1 1 1 275 1 1 21 ARG CB C 7.220 3.311 1.027 1.00 . A A . 21 ARG CB 1 1 1 276 1 1 21 ARG CD C 9.390 4.488 0.530 1.00 . A A . 21 ARG CD 1 1 1 277 1 1 21 ARG CG C 8.738 3.205 1.030 1.00 . A A . 21 ARG CG 1 1 1 278 1 1 21 ARG CZ C 8.559 5.881 -1.341 1.00 . A A . 21 ARG CZ 1 1 1 279 1 1 21 ARG H H 4.734 3.273 1.483 1.00 . A A . 21 ARG H 1 1 1 280 1 1 21 ARG HA H 6.683 1.244 1.241 1.00 . A A . 21 ARG HA 1 1 1 281 1 1 21 ARG HB2 H 6.883 3.317 0.026 1.00 . A A . 21 ARG HB2 1 1 1 282 1 1 21 ARG HB3 H 6.946 4.243 1.488 1.00 . A A . 21 ARG HB3 1 1 1 283 1 1 21 ARG HD2 H 9.062 5.297 1.155 1.00 . A A . 21 ARG HD2 1 1 1 284 1 1 21 ARG HD3 H 10.460 4.380 0.649 1.00 . A A . 21 ARG HD3 1 1 1 285 1 1 21 ARG HE H 9.361 4.055 -1.527 1.00 . A A . 21 ARG HE 1 1 1 286 1 1 21 ARG HG2 H 9.097 3.018 2.030 1.00 . A A . 21 ARG HG2 1 1 1 287 1 1 21 ARG HG3 H 9.032 2.392 0.383 1.00 . A A . 21 ARG HG3 1 1 1 288 1 1 21 ARG HH11 H 8.333 6.755 0.484 1.00 . A A . 21 ARG HH11 1 1 1 289 1 1 21 ARG HH12 H 7.793 7.683 -0.854 1.00 . A A . 21 ARG HH12 1 1 1 290 1 1 21 ARG HH21 H 8.660 5.338 -3.289 1.00 . A A . 21 ARG HH21 1 1 1 291 1 1 21 ARG HH22 H 7.969 6.898 -2.991 1.00 . A A . 21 ARG HH22 1 1 1 292 1 1 21 ARG N N 5.082 2.418 1.832 1.00 . A A . 21 ARG N 1 1 1 293 1 1 21 ARG NE N 9.109 4.753 -0.883 1.00 . A A . 21 ARG NE 1 1 1 294 1 1 21 ARG NH1 N 8.204 6.842 -0.496 1.00 . A A . 21 ARG NH1 1 1 1 295 1 1 21 ARG NH2 N 8.382 6.053 -2.645 1.00 . A A . 21 ARG NH2 1 1 1 296 1 1 21 ARG O O 7.847 1.127 3.483 1.00 . A A . 21 ARG O 1 1 1 297 1 1 22 LYS C C 6.583 1.900 6.261 1.00 . A A . 22 LYS C 1 1 1 298 1 1 22 LYS CA C 7.186 3.020 5.409 1.00 . A A . 22 LYS CA 1 1 1 299 1 1 22 LYS CB C 6.868 4.387 6.022 1.00 . A A . 22 LYS CB 1 1 1 300 1 1 22 LYS CD C 7.324 6.077 7.812 1.00 . A A . 22 LYS CD 1 1 1 301 1 1 22 LYS CE C 8.244 6.466 8.957 1.00 . A A . 22 LYS CE 1 1 1 302 1 1 22 LYS CG C 7.646 4.691 7.288 1.00 . A A . 22 LYS CG 1 1 1 303 1 1 22 LYS H H 6.063 3.673 3.743 1.00 . A A . 22 LYS H 1 1 1 304 1 1 22 LYS HA H 8.262 2.892 5.381 1.00 . A A . 22 LYS HA 1 1 1 305 1 1 22 LYS HB2 H 7.108 5.150 5.292 1.00 . A A . 22 LYS HB2 1 1 1 306 1 1 22 LYS HB3 H 5.819 4.441 6.239 1.00 . A A . 22 LYS HB3 1 1 1 307 1 1 22 LYS HD2 H 7.468 6.792 7.012 1.00 . A A . 22 LYS HD2 1 1 1 308 1 1 22 LYS HD3 H 6.311 6.121 8.136 1.00 . A A . 22 LYS HD3 1 1 1 309 1 1 22 LYS HE2 H 7.971 7.453 9.300 1.00 . A A . 22 LYS HE2 1 1 1 310 1 1 22 LYS HE3 H 8.119 5.759 9.765 1.00 . A A . 22 LYS HE3 1 1 1 311 1 1 22 LYS HG2 H 7.389 3.961 8.042 1.00 . A A . 22 LYS HG2 1 1 1 312 1 1 22 LYS HG3 H 8.700 4.625 7.062 1.00 . A A . 22 LYS HG3 1 1 1 313 1 1 22 LYS HZ1 H 10.239 6.981 9.250 1.00 . A A . 22 LYS HZ1 1 1 1 314 1 1 22 LYS HZ2 H 9.784 6.963 7.623 1.00 . A A . 22 LYS HZ2 1 1 1 315 1 1 22 LYS HZ3 H 10.028 5.507 8.455 1.00 . A A . 22 LYS HZ3 1 1 1 316 1 1 22 LYS N N 6.689 2.971 4.043 1.00 . A A . 22 LYS N 1 1 1 317 1 1 22 LYS NZ N 9.669 6.479 8.539 1.00 . A A . 22 LYS NZ 1 1 1 318 1 1 22 LYS O O 7.092 1.580 7.332 1.00 . A A . 22 LYS O 1 1 1 319 1 1 23 GLN C C 5.385 -1.113 6.077 1.00 . A A . 23 GLN C 1 1 1 320 1 1 23 GLN CA C 4.827 0.241 6.499 1.00 . A A . 23 GLN CA 1 1 1 321 1 1 23 GLN CB C 3.316 0.292 6.240 1.00 . A A . 23 GLN CB 1 1 1 322 1 1 23 GLN CD C 2.149 -1.299 7.886 1.00 . A A . 23 GLN CD 1 1 1 323 1 1 23 GLN CG C 2.450 0.144 7.490 1.00 . A A . 23 GLN CG 1 1 1 324 1 1 23 GLN H H 5.109 1.613 4.939 1.00 . A A . 23 GLN H 1 1 1 325 1 1 23 GLN HA H 5.007 0.364 7.553 1.00 . A A . 23 GLN HA 1 1 1 326 1 1 23 GLN HB2 H 3.067 1.239 5.802 1.00 . A A . 23 GLN HB2 1 1 1 327 1 1 23 GLN HB3 H 3.034 -0.484 5.537 1.00 . A A . 23 GLN HB3 1 1 1 328 1 1 23 GLN HE21 H 3.926 -1.963 7.309 1.00 . A A . 23 GLN HE21 1 1 1 329 1 1 23 GLN HE22 H 2.875 -3.130 7.924 1.00 . A A . 23 GLN HE22 1 1 1 330 1 1 23 GLN HG2 H 2.943 0.626 8.323 1.00 . A A . 23 GLN HG2 1 1 1 331 1 1 23 GLN HG3 H 1.510 0.645 7.306 1.00 . A A . 23 GLN HG3 1 1 1 332 1 1 23 GLN N N 5.492 1.319 5.786 1.00 . A A . 23 GLN N 1 1 1 333 1 1 23 GLN NE2 N 3.090 -2.206 7.678 1.00 . A A . 23 GLN NE2 1 1 1 334 1 1 23 GLN O O 5.836 -1.888 6.916 1.00 . A A . 23 GLN O 1 1 1 335 1 1 23 GLN OE1 O 1.073 -1.587 8.410 1.00 . A A . 23 GLN OE1 1 1 1 336 1 1 24 THR C C 7.119 -2.754 3.687 1.00 . A A . 24 THR C 1 1 1 337 1 1 24 THR CA C 5.715 -2.721 4.286 1.00 . A A . 24 THR CA 1 1 1 338 1 1 24 THR CB C 4.714 -3.205 3.222 1.00 . A A . 24 THR CB 1 1 1 339 1 1 24 THR CG2 C 3.313 -3.324 3.805 1.00 . A A . 24 THR CG2 1 1 1 340 1 1 24 THR H H 4.985 -0.737 4.149 1.00 . A A . 24 THR H 1 1 1 341 1 1 24 THR HA H 5.691 -3.425 5.111 1.00 . A A . 24 THR HA 1 1 1 342 1 1 24 THR HB H 5.004 -4.178 2.874 1.00 . A A . 24 THR HB 1 1 1 343 1 1 24 THR HG1 H 4.402 -2.752 1.323 1.00 . A A . 24 THR HG1 1 1 1 344 1 1 24 THR HG21 H 2.989 -2.359 4.169 1.00 . A A . 24 THR HG21 1 1 1 345 1 1 24 THR HG22 H 3.318 -4.033 4.620 1.00 . A A . 24 THR HG22 1 1 1 346 1 1 24 THR HG23 H 2.633 -3.665 3.038 1.00 . A A . 24 THR HG23 1 1 1 347 1 1 24 THR N N 5.354 -1.396 4.781 1.00 . A A . 24 THR N 1 1 1 348 1 1 24 THR O O 7.784 -3.789 3.713 1.00 . A A . 24 THR O 1 1 1 349 1 1 24 THR OG1 O 4.698 -2.294 2.114 1.00 . A A . 24 THR OG1 1 1 1 350 1 1 25 GLY C C 8.575 -1.367 0.939 1.00 . A A . 25 GLY C 1 1 1 351 1 1 25 GLY CA C 8.814 -1.588 2.418 1.00 . A A . 25 GLY CA 1 1 1 352 1 1 25 GLY H H 7.002 -0.819 3.158 1.00 . A A . 25 GLY H 1 1 1 353 1 1 25 GLY HA2 H 9.412 -0.771 2.795 1.00 . A A . 25 GLY HA2 1 1 1 354 1 1 25 GLY HA3 H 9.369 -2.509 2.547 1.00 . A A . 25 GLY HA3 1 1 1 355 1 1 25 GLY N N 7.565 -1.623 3.156 1.00 . A A . 25 GLY N 1 1 1 356 1 1 25 GLY O O 9.483 -0.996 0.194 1.00 . A A . 25 GLY O 1 1 1 357 1 1 26 CYS C C 5.906 -0.311 -0.995 1.00 . A A . 26 CYS C 1 1 1 358 1 1 26 CYS CA C 6.960 -1.407 -0.874 1.00 . A A . 26 CYS CA 1 1 1 359 1 1 26 CYS CB C 6.435 -2.725 -1.451 1.00 . A A . 26 CYS CB 1 1 1 360 1 1 26 CYS H H 6.642 -1.876 1.142 1.00 . A A . 26 CYS H 1 1 1 361 1 1 26 CYS HA H 7.839 -1.129 -1.433 1.00 . A A . 26 CYS HA 1 1 1 362 1 1 26 CYS HB2 H 5.639 -3.082 -0.831 1.00 . A A . 26 CYS HB2 1 1 1 363 1 1 26 CYS HB3 H 6.050 -2.548 -2.448 1.00 . A A . 26 CYS HB3 1 1 1 364 1 1 26 CYS N N 7.339 -1.586 0.516 1.00 . A A . 26 CYS N 1 1 1 365 1 1 26 CYS O O 4.851 -0.387 -0.374 1.00 . A A . 26 CYS O 1 1 1 366 1 1 26 CYS SG S 7.701 -4.036 -1.585 1.00 . A A . 26 CYS SG 1 1 1 367 1 1 27 PRO C C 4.164 1.736 -2.899 1.00 . A A . 27 PRO C 1 1 1 368 1 1 27 PRO CA C 5.320 1.914 -1.917 1.00 . A A . 27 PRO CA 1 1 1 369 1 1 27 PRO CB C 6.293 2.955 -2.457 1.00 . A A . 27 PRO CB 1 1 1 370 1 1 27 PRO CD C 7.377 0.842 -2.662 1.00 . A A . 27 PRO CD 1 1 1 371 1 1 27 PRO CG C 7.177 2.162 -3.354 1.00 . A A . 27 PRO CG 1 1 1 372 1 1 27 PRO HA H 4.939 2.237 -0.959 1.00 . A A . 27 PRO HA 1 1 1 373 1 1 27 PRO HB2 H 5.774 3.737 -2.996 1.00 . A A . 27 PRO HB2 1 1 1 374 1 1 27 PRO HB3 H 6.854 3.390 -1.662 1.00 . A A . 27 PRO HB3 1 1 1 375 1 1 27 PRO HD2 H 7.412 0.038 -3.382 1.00 . A A . 27 PRO HD2 1 1 1 376 1 1 27 PRO HD3 H 8.281 0.864 -2.071 1.00 . A A . 27 PRO HD3 1 1 1 377 1 1 27 PRO HG2 H 6.698 2.017 -4.312 1.00 . A A . 27 PRO HG2 1 1 1 378 1 1 27 PRO HG3 H 8.123 2.667 -3.478 1.00 . A A . 27 PRO HG3 1 1 1 379 1 1 27 PRO N N 6.185 0.729 -1.799 1.00 . A A . 27 PRO N 1 1 1 380 1 1 27 PRO O O 3.686 2.702 -3.485 1.00 . A A . 27 PRO O 1 1 1 381 1 1 28 ASN C C 1.345 -0.085 -3.296 1.00 . A A . 28 ASN C 1 1 1 382 1 1 28 ASN CA C 2.652 0.222 -4.027 1.00 . A A . 28 ASN CA 1 1 1 383 1 1 28 ASN CB C 3.062 -0.949 -4.920 1.00 . A A . 28 ASN CB 1 1 1 384 1 1 28 ASN CG C 2.042 -1.278 -5.992 1.00 . A A . 28 ASN CG 1 1 1 385 1 1 28 ASN H H 4.115 -0.239 -2.599 1.00 . A A . 28 ASN H 1 1 1 386 1 1 28 ASN HA H 2.500 1.088 -4.665 1.00 . A A . 28 ASN HA 1 1 1 387 1 1 28 ASN HB2 H 3.993 -0.703 -5.409 1.00 . A A . 28 ASN HB2 1 1 1 388 1 1 28 ASN HB3 H 3.211 -1.825 -4.302 1.00 . A A . 28 ASN HB3 1 1 1 389 1 1 28 ASN HD21 H 2.607 -3.195 -5.972 1.00 . A A . 28 ASN HD21 1 1 1 390 1 1 28 ASN HD22 H 1.344 -2.782 -7.075 1.00 . A A . 28 ASN HD22 1 1 1 391 1 1 28 ASN N N 3.722 0.510 -3.080 1.00 . A A . 28 ASN N 1 1 1 392 1 1 28 ASN ND2 N 1.995 -2.543 -6.383 1.00 . A A . 28 ASN ND2 1 1 1 393 1 1 28 ASN O O 1.202 -1.143 -2.673 1.00 . A A . 28 ASN O 1 1 1 394 1 1 28 ASN OD1 O 1.311 -0.408 -6.469 1.00 . A A . 28 ASN OD1 1 1 1 395 1 1 29 ALA C C -2.013 1.392 -3.453 1.00 . A A . 29 ALA C 1 1 1 396 1 1 29 ALA CA C -0.880 0.714 -2.684 1.00 . A A . 29 ALA CA 1 1 1 397 1 1 29 ALA CB C -0.786 1.303 -1.283 1.00 . A A . 29 ALA CB 1 1 1 398 1 1 29 ALA H H 0.576 1.670 -3.876 1.00 . A A . 29 ALA H 1 1 1 399 1 1 29 ALA HA H -1.117 -0.339 -2.587 1.00 . A A . 29 ALA HA 1 1 1 400 1 1 29 ALA HB1 H -1.337 2.233 -1.219 1.00 . A A . 29 ALA HB1 1 1 1 401 1 1 29 ALA HB2 H 0.246 1.493 -1.033 1.00 . A A . 29 ALA HB2 1 1 1 402 1 1 29 ALA HB3 H -1.197 0.599 -0.575 1.00 . A A . 29 ALA HB3 1 1 1 403 1 1 29 ALA N N 0.398 0.850 -3.374 1.00 . A A . 29 ALA N 1 1 1 404 1 1 29 ALA O O -1.779 2.201 -4.356 1.00 . A A . 29 ALA O 1 1 1 405 1 1 30 LYS C C -5.507 1.771 -2.579 1.00 . A A . 30 LYS C 1 1 1 406 1 1 30 LYS CA C -4.433 1.671 -3.658 1.00 . A A . 30 LYS CA 1 1 1 407 1 1 30 LYS CB C -4.956 0.859 -4.851 1.00 . A A . 30 LYS CB 1 1 1 408 1 1 30 LYS CD C -6.745 0.576 -6.612 1.00 . A A . 30 LYS CD 1 1 1 409 1 1 30 LYS CE C -5.829 0.533 -7.829 1.00 . A A . 30 LYS CE 1 1 1 410 1 1 30 LYS CG C -6.192 1.463 -5.505 1.00 . A A . 30 LYS CG 1 1 1 411 1 1 30 LYS H H -3.359 0.382 -2.369 1.00 . A A . 30 LYS H 1 1 1 412 1 1 30 LYS HA H -4.180 2.672 -3.993 1.00 . A A . 30 LYS HA 1 1 1 413 1 1 30 LYS HB2 H -4.175 0.798 -5.595 1.00 . A A . 30 LYS HB2 1 1 1 414 1 1 30 LYS HB3 H -5.198 -0.141 -4.514 1.00 . A A . 30 LYS HB3 1 1 1 415 1 1 30 LYS HD2 H -6.871 -0.429 -6.235 1.00 . A A . 30 LYS HD2 1 1 1 416 1 1 30 LYS HD3 H -7.706 0.965 -6.916 1.00 . A A . 30 LYS HD3 1 1 1 417 1 1 30 LYS HE2 H -5.658 1.544 -8.172 1.00 . A A . 30 LYS HE2 1 1 1 418 1 1 30 LYS HE3 H -4.897 0.093 -7.550 1.00 . A A . 30 LYS HE3 1 1 1 419 1 1 30 LYS HG2 H -6.964 1.589 -4.761 1.00 . A A . 30 LYS HG2 1 1 1 420 1 1 30 LYS HG3 H -5.933 2.428 -5.919 1.00 . A A . 30 LYS HG3 1 1 1 421 1 1 30 LYS HZ1 H -6.602 -1.233 -8.645 1.00 . A A . 30 LYS HZ1 1 1 1 422 1 1 30 LYS HZ2 H -5.780 -0.262 -9.758 1.00 . A A . 30 LYS HZ2 1 1 1 423 1 1 30 LYS HZ3 H -7.330 0.175 -9.243 1.00 . A A . 30 LYS HZ3 1 1 1 424 1 1 30 LYS N N -3.244 1.046 -3.091 1.00 . A A . 30 LYS N 1 1 1 425 1 1 30 LYS NZ N -6.428 -0.251 -8.945 1.00 . A A . 30 LYS NZ 1 1 1 426 1 1 30 LYS O O -5.629 0.878 -1.741 1.00 . A A . 30 LYS O 1 1 1 427 1 1 31 CYS C C -8.584 2.307 -1.950 1.00 . A A . 31 CYS C 1 1 1 428 1 1 31 CYS CA C -7.297 3.035 -1.564 1.00 . A A . 31 CYS CA 1 1 1 429 1 1 31 CYS CB C -7.562 4.523 -1.298 1.00 . A A . 31 CYS CB 1 1 1 430 1 1 31 CYS H H -6.137 3.551 -3.265 1.00 . A A . 31 CYS H 1 1 1 431 1 1 31 CYS HA H -6.929 2.613 -0.650 1.00 . A A . 31 CYS HA 1 1 1 432 1 1 31 CYS HB2 H -8.183 4.617 -0.423 1.00 . A A . 31 CYS HB2 1 1 1 433 1 1 31 CYS HB3 H -6.622 5.005 -1.107 1.00 . A A . 31 CYS HB3 1 1 1 434 1 1 31 CYS N N -6.274 2.854 -2.580 1.00 . A A . 31 CYS N 1 1 1 435 1 1 31 CYS O O -9.281 2.684 -2.892 1.00 . A A . 31 CYS O 1 1 1 436 1 1 31 CYS SG S -8.353 5.433 -2.669 1.00 . A A . 31 CYS SG 1 1 1 437 1 1 32 ILE C C -10.516 -0.056 -0.047 1.00 . A A . 32 ILE C 1 1 1 438 1 1 32 ILE CA C -10.058 0.433 -1.408 1.00 . A A . 32 ILE CA 1 1 1 439 1 1 32 ILE CB C -9.801 -0.786 -2.322 1.00 . A A . 32 ILE CB 1 1 1 440 1 1 32 ILE CD1 C -8.245 -2.773 -2.672 1.00 . A A . 32 ILE CD1 1 1 1 441 1 1 32 ILE CG1 C -8.547 -1.537 -1.858 1.00 . A A . 32 ILE CG1 1 1 1 442 1 1 32 ILE CG2 C -9.674 -0.357 -3.777 1.00 . A A . 32 ILE CG2 1 1 1 443 1 1 32 ILE H H -8.235 0.976 -0.507 1.00 . A A . 32 ILE H 1 1 1 444 1 1 32 ILE HA H -10.843 1.048 -1.841 1.00 . A A . 32 ILE HA 1 1 1 445 1 1 32 ILE HB H -10.651 -1.453 -2.257 1.00 . A A . 32 ILE HB 1 1 1 446 1 1 32 ILE HD11 H -7.441 -2.561 -3.361 1.00 . A A . 32 ILE HD11 1 1 1 447 1 1 32 ILE HD12 H -9.121 -3.086 -3.227 1.00 . A A . 32 ILE HD12 1 1 1 448 1 1 32 ILE HD13 H -7.944 -3.570 -2.010 1.00 . A A . 32 ILE HD13 1 1 1 449 1 1 32 ILE HG12 H -7.689 -0.886 -1.931 1.00 . A A . 32 ILE HG12 1 1 1 450 1 1 32 ILE HG13 H -8.670 -1.847 -0.830 1.00 . A A . 32 ILE HG13 1 1 1 451 1 1 32 ILE HG21 H -10.549 0.209 -4.066 1.00 . A A . 32 ILE HG21 1 1 1 452 1 1 32 ILE HG22 H -9.594 -1.228 -4.410 1.00 . A A . 32 ILE HG22 1 1 1 453 1 1 32 ILE HG23 H -8.794 0.260 -3.899 1.00 . A A . 32 ILE HG23 1 1 1 454 1 1 32 ILE N N -8.860 1.237 -1.225 1.00 . A A . 32 ILE N 1 1 1 455 1 1 32 ILE O O -9.710 -0.131 0.875 1.00 . A A . 32 ILE O 1 1 1 456 1 1 33 ASN C C -12.208 0.302 2.421 1.00 . A A . 33 ASN C 1 1 1 457 1 1 33 ASN CA C -12.338 -0.823 1.378 1.00 . A A . 33 ASN CA 1 1 1 458 1 1 33 ASN CB C -11.599 -2.115 1.797 1.00 . A A . 33 ASN CB 1 1 1 459 1 1 33 ASN CG C -11.951 -2.637 3.180 1.00 . A A . 33 ASN CG 1 1 1 460 1 1 33 ASN H H -12.416 -0.276 -0.671 1.00 . A A . 33 ASN H 1 1 1 461 1 1 33 ASN HA H -13.386 -1.045 1.238 1.00 . A A . 33 ASN HA 1 1 1 462 1 1 33 ASN HB2 H -11.848 -2.890 1.090 1.00 . A A . 33 ASN HB2 1 1 1 463 1 1 33 ASN HB3 H -10.535 -1.959 1.763 1.00 . A A . 33 ASN HB3 1 1 1 464 1 1 33 ASN HD21 H -10.292 -1.823 3.944 1.00 . A A . 33 ASN HD21 1 1 1 465 1 1 33 ASN HD22 H -11.305 -2.676 5.052 1.00 . A A . 33 ASN HD22 1 1 1 466 1 1 33 ASN N N -11.802 -0.367 0.092 1.00 . A A . 33 ASN N 1 1 1 467 1 1 33 ASN ND2 N -11.097 -2.349 4.152 1.00 . A A . 33 ASN ND2 1 1 1 468 1 1 33 ASN O O -12.236 0.080 3.627 1.00 . A A . 33 ASN O 1 1 1 469 1 1 33 ASN OD1 O -12.956 -3.323 3.365 1.00 . A A . 33 ASN OD1 1 1 1 470 1 1 34 LYS C C -10.562 2.712 3.442 1.00 . A A . 34 LYS C 1 1 1 471 1 1 34 LYS CA C -11.921 2.731 2.732 1.00 . A A . 34 LYS CA 1 1 1 472 1 1 34 LYS CB C -13.073 2.888 3.739 1.00 . A A . 34 LYS CB 1 1 1 473 1 1 34 LYS CD C -14.335 4.406 5.301 1.00 . A A . 34 LYS CD 1 1 1 474 1 1 34 LYS CE C -14.392 5.792 5.924 1.00 . A A . 34 LYS CE 1 1 1 475 1 1 34 LYS CG C -13.152 4.272 4.359 1.00 . A A . 34 LYS CG 1 1 1 476 1 1 34 LYS H H -12.124 1.669 0.945 1.00 . A A . 34 LYS H 1 1 1 477 1 1 34 LYS HA H -11.933 3.576 2.056 1.00 . A A . 34 LYS HA 1 1 1 478 1 1 34 LYS HB2 H -14.005 2.692 3.227 1.00 . A A . 34 LYS HB2 1 1 1 479 1 1 34 LYS HB3 H -12.955 2.167 4.536 1.00 . A A . 34 LYS HB3 1 1 1 480 1 1 34 LYS HD2 H -15.248 4.235 4.749 1.00 . A A . 34 LYS HD2 1 1 1 481 1 1 34 LYS HD3 H -14.244 3.672 6.090 1.00 . A A . 34 LYS HD3 1 1 1 482 1 1 34 LYS HE2 H -14.365 6.536 5.140 1.00 . A A . 34 LYS HE2 1 1 1 483 1 1 34 LYS HE3 H -15.322 5.884 6.467 1.00 . A A . 34 LYS HE3 1 1 1 484 1 1 34 LYS HG2 H -12.250 4.467 4.907 1.00 . A A . 34 LYS HG2 1 1 1 485 1 1 34 LYS HG3 H -13.257 4.997 3.565 1.00 . A A . 34 LYS HG3 1 1 1 486 1 1 34 LYS HZ1 H -12.360 6.050 6.350 1.00 . A A . 34 LYS HZ1 1 1 1 487 1 1 34 LYS HZ2 H -13.225 5.296 7.594 1.00 . A A . 34 LYS HZ2 1 1 1 488 1 1 34 LYS HZ3 H -13.388 6.959 7.335 1.00 . A A . 34 LYS HZ3 1 1 1 489 1 1 34 LYS N N -12.099 1.532 1.912 1.00 . A A . 34 LYS N 1 1 1 490 1 1 34 LYS NZ N -13.262 6.039 6.865 1.00 . A A . 34 LYS NZ 1 1 1 491 1 1 34 LYS O O -10.395 3.280 4.522 1.00 . A A . 34 LYS O 1 1 1 492 1 1 35 SER C C -7.226 1.870 2.199 1.00 . A A . 35 SER C 1 1 1 493 1 1 35 SER CA C -8.229 2.035 3.340 1.00 . A A . 35 SER CA 1 1 1 494 1 1 35 SER CB C -8.075 0.901 4.364 1.00 . A A . 35 SER CB 1 1 1 495 1 1 35 SER H H -9.765 1.622 1.961 1.00 . A A . 35 SER H 1 1 1 496 1 1 35 SER HA H -8.032 2.980 3.834 1.00 . A A . 35 SER HA 1 1 1 497 1 1 35 SER HB2 H -7.030 0.764 4.609 1.00 . A A . 35 SER HB2 1 1 1 498 1 1 35 SER HB3 H -8.617 1.162 5.261 1.00 . A A . 35 SER HB3 1 1 1 499 1 1 35 SER HG H -8.267 -1.051 4.399 1.00 . A A . 35 SER HG 1 1 1 500 1 1 35 SER N N -9.589 2.057 2.823 1.00 . A A . 35 SER N 1 1 1 501 1 1 35 SER O O -7.538 1.295 1.162 1.00 . A A . 35 SER O 1 1 1 502 1 1 35 SER OG O -8.593 -0.323 3.865 1.00 . A A . 35 SER OG 1 1 1 503 1 1 36 CYS C C -4.315 0.894 1.511 1.00 . A A . 36 CYS C 1 1 1 504 1 1 36 CYS CA C -5.000 2.242 1.355 1.00 . A A . 36 CYS CA 1 1 1 505 1 1 36 CYS CB C -3.982 3.380 1.419 1.00 . A A . 36 CYS CB 1 1 1 506 1 1 36 CYS H H -5.818 2.882 3.206 1.00 . A A . 36 CYS H 1 1 1 507 1 1 36 CYS HA H -5.464 2.267 0.381 1.00 . A A . 36 CYS HA 1 1 1 508 1 1 36 CYS HB2 H -3.633 3.487 2.435 1.00 . A A . 36 CYS HB2 1 1 1 509 1 1 36 CYS HB3 H -3.141 3.154 0.775 1.00 . A A . 36 CYS HB3 1 1 1 510 1 1 36 CYS N N -6.030 2.405 2.368 1.00 . A A . 36 CYS N 1 1 1 511 1 1 36 CYS O O -3.374 0.746 2.296 1.00 . A A . 36 CYS O 1 1 1 512 1 1 36 CYS SG S -4.658 4.987 0.891 1.00 . A A . 36 CYS SG 1 1 1 513 1 1 37 LYS C C -3.048 -1.612 0.032 1.00 . A A . 37 LYS C 1 1 1 514 1 1 37 LYS CA C -4.303 -1.447 0.873 1.00 . A A . 37 LYS CA 1 1 1 515 1 1 37 LYS CB C -5.360 -2.452 0.414 1.00 . A A . 37 LYS CB 1 1 1 516 1 1 37 LYS CD C -5.879 -4.891 0.022 1.00 . A A . 37 LYS CD 1 1 1 517 1 1 37 LYS CE C -5.535 -4.909 -1.457 1.00 . A A . 37 LYS CE 1 1 1 518 1 1 37 LYS CG C -5.018 -3.892 0.778 1.00 . A A . 37 LYS CG 1 1 1 519 1 1 37 LYS H H -5.561 0.094 0.160 1.00 . A A . 37 LYS H 1 1 1 520 1 1 37 LYS HA H -4.069 -1.640 1.917 1.00 . A A . 37 LYS HA 1 1 1 521 1 1 37 LYS HB2 H -6.299 -2.201 0.890 1.00 . A A . 37 LYS HB2 1 1 1 522 1 1 37 LYS HB3 H -5.479 -2.366 -0.655 1.00 . A A . 37 LYS HB3 1 1 1 523 1 1 37 LYS HD2 H -5.708 -5.876 0.430 1.00 . A A . 37 LYS HD2 1 1 1 524 1 1 37 LYS HD3 H -6.922 -4.629 0.139 1.00 . A A . 37 LYS HD3 1 1 1 525 1 1 37 LYS HE2 H -5.824 -3.971 -1.899 1.00 . A A . 37 LYS HE2 1 1 1 526 1 1 37 LYS HE3 H -4.467 -5.044 -1.571 1.00 . A A . 37 LYS HE3 1 1 1 527 1 1 37 LYS HG2 H -3.977 -4.090 0.556 1.00 . A A . 37 LYS HG2 1 1 1 528 1 1 37 LYS HG3 H -5.185 -4.026 1.837 1.00 . A A . 37 LYS HG3 1 1 1 529 1 1 37 LYS HZ1 H -5.973 -5.991 -3.183 1.00 . A A . 37 LYS HZ1 1 1 1 530 1 1 37 LYS HZ2 H -7.262 -5.899 -2.093 1.00 . A A . 37 LYS HZ2 1 1 1 531 1 1 37 LYS HZ3 H -5.956 -6.931 -1.777 1.00 . A A . 37 LYS HZ3 1 1 1 532 1 1 37 LYS N N -4.803 -0.089 0.766 1.00 . A A . 37 LYS N 1 1 1 533 1 1 37 LYS NZ N -6.230 -6.008 -2.175 1.00 . A A . 37 LYS NZ 1 1 1 534 1 1 37 LYS O O -2.999 -1.173 -1.120 1.00 . A A . 37 LYS O 1 1 1 535 1 1 38 CYS C C -0.880 -3.870 -0.762 1.00 . A A . 38 CYS C 1 1 1 536 1 1 38 CYS CA C -0.801 -2.512 -0.075 1.00 . A A . 38 CYS CA 1 1 1 537 1 1 38 CYS CB C 0.361 -2.487 0.919 1.00 . A A . 38 CYS CB 1 1 1 538 1 1 38 CYS H H -2.155 -2.565 1.543 1.00 . A A . 38 CYS H 1 1 1 539 1 1 38 CYS HA H -0.634 -1.744 -0.824 1.00 . A A . 38 CYS HA 1 1 1 540 1 1 38 CYS HB2 H 0.178 -3.224 1.689 1.00 . A A . 38 CYS HB2 1 1 1 541 1 1 38 CYS HB3 H 1.279 -2.737 0.405 1.00 . A A . 38 CYS HB3 1 1 1 542 1 1 38 CYS N N -2.047 -2.238 0.617 1.00 . A A . 38 CYS N 1 1 1 543 1 1 38 CYS O O -1.547 -4.780 -0.270 1.00 . A A . 38 CYS O 1 1 1 544 1 1 38 CYS SG S 0.592 -0.882 1.749 1.00 . A A . 38 CYS SG 1 1 1 545 1 1 39 TYR C C 0.708 -6.288 -2.129 1.00 . A A . 39 TYR C 1 1 1 546 1 1 39 TYR CA C -0.257 -5.239 -2.674 1.00 . A A . 39 TYR CA 1 1 1 547 1 1 39 TYR CB C 0.073 -4.960 -4.141 1.00 . A A . 39 TYR CB 1 1 1 548 1 1 39 TYR CD1 C -0.677 -2.637 -4.753 1.00 . A A . 39 TYR CD1 1 1 1 549 1 1 39 TYR CD2 C -1.974 -4.472 -5.532 1.00 . A A . 39 TYR CD2 1 1 1 550 1 1 39 TYR CE1 C -1.530 -1.756 -5.377 1.00 . A A . 39 TYR CE1 1 1 1 551 1 1 39 TYR CE2 C -2.833 -3.597 -6.164 1.00 . A A . 39 TYR CE2 1 1 1 552 1 1 39 TYR CG C -0.884 -4.005 -4.815 1.00 . A A . 39 TYR CG 1 1 1 553 1 1 39 TYR CZ C -2.605 -2.240 -6.087 1.00 . A A . 39 TYR CZ 1 1 1 554 1 1 39 TYR H H 0.323 -3.244 -2.236 1.00 . A A . 39 TYR H 1 1 1 555 1 1 39 TYR HA H -1.264 -5.637 -2.619 1.00 . A A . 39 TYR HA 1 1 1 556 1 1 39 TYR HB2 H 1.069 -4.538 -4.202 1.00 . A A . 39 TYR HB2 1 1 1 557 1 1 39 TYR HB3 H 0.060 -5.895 -4.692 1.00 . A A . 39 TYR HB3 1 1 1 558 1 1 39 TYR HD1 H 0.160 -2.269 -4.211 1.00 . A A . 39 TYR HD1 1 1 1 559 1 1 39 TYR HD2 H -2.153 -5.537 -5.592 1.00 . A A . 39 TYR HD2 1 1 1 560 1 1 39 TYR HE1 H -1.349 -0.693 -5.315 1.00 . A A . 39 TYR HE1 1 1 1 561 1 1 39 TYR HE2 H -3.678 -3.977 -6.719 1.00 . A A . 39 TYR HE2 1 1 1 562 1 1 39 TYR HH H -3.188 -1.264 -7.633 1.00 . A A . 39 TYR HH 1 1 1 563 1 1 39 TYR N N -0.201 -4.007 -1.892 1.00 . A A . 39 TYR N 1 1 1 564 1 1 39 TYR O O 1.083 -7.229 -2.837 1.00 . A A . 39 TYR O 1 1 1 565 1 1 39 TYR OH O -3.457 -1.365 -6.717 1.00 . A A . 39 TYR OH 1 1 1 566 1 1 40 GLY C C 3.466 -6.683 -0.501 1.00 . A A . 40 GLY C 1 1 1 567 1 1 40 GLY CA C 2.020 -7.053 -0.254 1.00 . A A . 40 GLY CA 1 1 1 568 1 1 40 GLY H H 0.788 -5.384 -0.338 1.00 . A A . 40 GLY H 1 1 1 569 1 1 40 GLY HA2 H 1.837 -7.051 0.812 1.00 . A A . 40 GLY HA2 1 1 1 570 1 1 40 GLY HA3 H 1.845 -8.055 -0.629 1.00 . A A . 40 GLY HA3 1 1 1 571 1 1 40 GLY N N 1.099 -6.126 -0.873 1.00 . A A . 40 GLY N 1 1 1 572 1 1 40 GLY O O 3.790 -6.044 -1.504 1.00 . A A . 40 GLY O 1 1 1 573 1 1 41 CYS C C 6.517 -7.767 1.212 1.00 . A A . 41 CYS C 1 1 1 574 1 1 41 CYS CA C 5.753 -6.824 0.288 1.00 . A A . 41 CYS CA 1 1 1 575 1 1 41 CYS CB C 6.068 -5.360 0.617 1.00 . A A . 41 CYS CB 1 1 1 576 1 1 41 CYS H H 4.000 -7.570 1.207 1.00 . A A . 41 CYS H 1 1 1 577 1 1 41 CYS HA H 6.048 -7.032 -0.734 1.00 . A A . 41 CYS HA 1 1 1 578 1 1 41 CYS HB2 H 5.405 -4.734 0.058 1.00 . A A . 41 CYS HB2 1 1 1 579 1 1 41 CYS HB3 H 5.893 -5.198 1.664 1.00 . A A . 41 CYS HB3 1 1 1 580 1 1 41 CYS N N 4.329 -7.072 0.419 1.00 . A A . 41 CYS N 1 1 1 581 1 1 41 CYS O O 6.912 -7.341 2.316 1.00 . A A . 41 CYS O 1 1 1 582 1 1 41 CYS OXT O 6.672 -8.956 0.850 1.00 . A A . 41 CYS OXT 1 1 1 583 1 1 41 CYS SG S 7.787 -4.858 0.270 1.00 . A A . 41 CYS SG 1 1 2 584 1 1 1 TRP C C 6.296 2.186 9.561 1.00 . A A . 1 TRP C 1 1 2 585 1 1 1 TRP CA C 6.670 0.710 9.560 1.00 . A A . 1 TRP CA 1 1 2 586 1 1 1 TRP CB C 6.085 0.015 10.792 1.00 . A A . 1 TRP CB 1 1 2 587 1 1 1 TRP CD1 C 6.724 -2.426 10.352 1.00 . A A . 1 TRP CD1 1 1 2 588 1 1 1 TRP CD2 C 4.525 -2.079 10.565 1.00 . A A . 1 TRP CD2 1 1 2 589 1 1 1 TRP CE2 C 4.742 -3.449 10.321 1.00 . A A . 1 TRP CE2 1 1 2 590 1 1 1 TRP CE3 C 3.215 -1.626 10.738 1.00 . A A . 1 TRP CE3 1 1 2 591 1 1 1 TRP CG C 5.807 -1.441 10.575 1.00 . A A . 1 TRP CG 1 1 2 592 1 1 1 TRP CH2 C 2.425 -3.894 10.417 1.00 . A A . 1 TRP CH2 1 1 2 593 1 1 1 TRP CZ2 C 3.697 -4.365 10.242 1.00 . A A . 1 TRP CZ2 1 1 2 594 1 1 1 TRP CZ3 C 2.179 -2.537 10.663 1.00 . A A . 1 TRP CZ3 1 1 2 595 1 1 1 TRP H1 H 8.545 0.917 10.408 1.00 . A A . 1 TRP H1 1 1 2 596 1 1 1 TRP H2 H 8.503 1.089 8.698 1.00 . A A . 1 TRP H2 1 1 2 597 1 1 1 TRP H3 H 8.356 -0.458 9.404 1.00 . A A . 1 TRP H3 1 1 2 598 1 1 1 TRP HA H 6.280 0.252 8.688 1.00 . A A . 1 TRP HA 1 1 2 599 1 1 1 TRP HB2 H 6.783 0.098 11.613 1.00 . A A . 1 TRP HB2 1 1 2 600 1 1 1 TRP HB3 H 5.152 0.491 11.076 1.00 . A A . 1 TRP HB3 1 1 2 601 1 1 1 TRP HD1 H 7.789 -2.268 10.304 1.00 . A A . 1 TRP HD1 1 1 2 602 1 1 1 TRP HE1 H 6.537 -4.488 10.014 1.00 . A A . 1 TRP HE1 1 1 2 603 1 1 1 TRP HE3 H 3.005 -0.584 10.929 1.00 . A A . 1 TRP HE3 1 1 2 604 1 1 1 TRP HH2 H 1.585 -4.571 10.366 1.00 . A A . 1 TRP HH2 1 1 2 605 1 1 1 TRP HZ2 H 3.870 -5.414 10.054 1.00 . A A . 1 TRP HZ2 1 1 2 606 1 1 1 TRP HZ3 H 1.160 -2.204 10.795 1.00 . A A . 1 TRP HZ3 1 1 2 607 1 1 1 TRP N N 8.143 0.550 9.517 1.00 . A A . 1 TRP N 1 1 2 608 1 1 1 TRP NE1 N 6.092 -3.632 10.189 1.00 . A A . 1 TRP NE1 1 1 2 609 1 1 1 TRP O O 7.106 3.042 9.914 1.00 . A A . 1 TRP O 1 1 2 610 1 1 2 CYS C C 3.931 4.295 10.332 1.00 . A A . 2 CYS C 1 1 2 611 1 1 2 CYS CA C 4.618 3.855 9.044 1.00 . A A . 2 CYS CA 1 1 2 612 1 1 2 CYS CB C 3.672 4.020 7.858 1.00 . A A . 2 CYS CB 1 1 2 613 1 1 2 CYS H H 4.488 1.748 8.855 1.00 . A A . 2 CYS H 1 1 2 614 1 1 2 CYS HA H 5.478 4.496 8.870 1.00 . A A . 2 CYS HA 1 1 2 615 1 1 2 CYS HB2 H 3.289 5.031 7.844 1.00 . A A . 2 CYS HB2 1 1 2 616 1 1 2 CYS HB3 H 4.235 3.854 6.962 1.00 . A A . 2 CYS HB3 1 1 2 617 1 1 2 CYS N N 5.078 2.481 9.136 1.00 . A A . 2 CYS N 1 1 2 618 1 1 2 CYS O O 2.772 3.960 10.580 1.00 . A A . 2 CYS O 1 1 2 619 1 1 2 CYS SG S 2.265 2.863 7.856 1.00 . A A . 2 CYS SG 1 1 2 620 1 1 3 SER C C 3.027 6.649 12.053 1.00 . A A . 3 SER C 1 1 2 621 1 1 3 SER CA C 4.089 5.596 12.372 1.00 . A A . 3 SER CA 1 1 2 622 1 1 3 SER CB C 5.215 6.195 13.212 1.00 . A A . 3 SER CB 1 1 2 623 1 1 3 SER H H 5.575 5.281 10.897 1.00 . A A . 3 SER H 1 1 2 624 1 1 3 SER HA H 3.627 4.792 12.931 1.00 . A A . 3 SER HA 1 1 2 625 1 1 3 SER HB2 H 4.814 6.886 13.942 1.00 . A A . 3 SER HB2 1 1 2 626 1 1 3 SER HB3 H 5.734 5.399 13.725 1.00 . A A . 3 SER HB3 1 1 2 627 1 1 3 SER HG H 6.765 7.365 12.940 1.00 . A A . 3 SER HG 1 1 2 628 1 1 3 SER N N 4.650 5.044 11.149 1.00 . A A . 3 SER N 1 1 2 629 1 1 3 SER O O 2.101 6.875 12.836 1.00 . A A . 3 SER O 1 1 2 630 1 1 3 SER OG O 6.145 6.882 12.389 1.00 . A A . 3 SER OG 1 1 2 631 1 1 4 THR C C 0.951 7.718 9.834 1.00 . A A . 4 THR C 1 1 2 632 1 1 4 THR CA C 2.236 8.304 10.439 1.00 . A A . 4 THR CA 1 1 2 633 1 1 4 THR CB C 2.931 9.214 9.404 1.00 . A A . 4 THR CB 1 1 2 634 1 1 4 THR CG2 C 2.245 10.571 9.313 1.00 . A A . 4 THR CG2 1 1 2 635 1 1 4 THR H H 3.891 7.015 10.276 1.00 . A A . 4 THR H 1 1 2 636 1 1 4 THR HA H 1.968 8.898 11.307 1.00 . A A . 4 THR HA 1 1 2 637 1 1 4 THR HB H 2.907 8.751 8.424 1.00 . A A . 4 THR HB 1 1 2 638 1 1 4 THR HG1 H 4.825 9.617 9.008 1.00 . A A . 4 THR HG1 1 1 2 639 1 1 4 THR HG21 H 2.877 11.252 8.762 1.00 . A A . 4 THR HG21 1 1 2 640 1 1 4 THR HG22 H 2.076 10.968 10.305 1.00 . A A . 4 THR HG22 1 1 2 641 1 1 4 THR HG23 H 1.302 10.469 8.800 1.00 . A A . 4 THR HG23 1 1 2 642 1 1 4 THR N N 3.148 7.255 10.874 1.00 . A A . 4 THR N 1 1 2 643 1 1 4 THR O O 0.111 8.444 9.301 1.00 . A A . 4 THR O 1 1 2 644 1 1 4 THR OG1 O 4.300 9.405 9.784 1.00 . A A . 4 THR OG1 1 1 2 645 1 1 5 CYS C C -1.565 5.869 10.395 1.00 . A A . 5 CYS C 1 1 2 646 1 1 5 CYS CA C -0.412 5.756 9.405 1.00 . A A . 5 CYS CA 1 1 2 647 1 1 5 CYS CB C -0.142 4.290 9.058 1.00 . A A . 5 CYS CB 1 1 2 648 1 1 5 CYS H H 1.464 5.841 10.343 1.00 . A A . 5 CYS H 1 1 2 649 1 1 5 CYS HA H -0.710 6.274 8.498 1.00 . A A . 5 CYS HA 1 1 2 650 1 1 5 CYS HB2 H 0.476 3.854 9.824 1.00 . A A . 5 CYS HB2 1 1 2 651 1 1 5 CYS HB3 H -1.080 3.748 9.019 1.00 . A A . 5 CYS HB3 1 1 2 652 1 1 5 CYS N N 0.791 6.402 9.919 1.00 . A A . 5 CYS N 1 1 2 653 1 1 5 CYS O O -1.946 4.893 11.045 1.00 . A A . 5 CYS O 1 1 2 654 1 1 5 CYS SG S 0.674 4.052 7.447 1.00 . A A . 5 CYS SG 1 1 2 655 1 1 6 LEU C C -4.538 7.028 10.525 1.00 . A A . 6 LEU C 1 1 2 656 1 1 6 LEU CA C -3.281 7.310 11.336 1.00 . A A . 6 LEU CA 1 1 2 657 1 1 6 LEU CB C -3.312 8.753 11.870 1.00 . A A . 6 LEU CB 1 1 2 658 1 1 6 LEU CD1 C -2.475 8.079 14.147 1.00 . A A . 6 LEU CD1 1 1 2 659 1 1 6 LEU CD2 C -0.896 9.128 12.512 1.00 . A A . 6 LEU CD2 1 1 2 660 1 1 6 LEU CG C -2.334 9.082 13.011 1.00 . A A . 6 LEU CG 1 1 2 661 1 1 6 LEU H H -1.751 7.821 9.976 1.00 . A A . 6 LEU H 1 1 2 662 1 1 6 LEU HA H -3.268 6.622 12.167 1.00 . A A . 6 LEU HA 1 1 2 663 1 1 6 LEU HB2 H -3.111 9.422 11.046 1.00 . A A . 6 LEU HB2 1 1 2 664 1 1 6 LEU HB3 H -4.312 8.963 12.233 1.00 . A A . 6 LEU HB3 1 1 2 665 1 1 6 LEU HD11 H -1.903 8.423 14.996 1.00 . A A . 6 LEU HD11 1 1 2 666 1 1 6 LEU HD12 H -2.104 7.112 13.838 1.00 . A A . 6 LEU HD12 1 1 2 667 1 1 6 LEU HD13 H -3.515 7.991 14.433 1.00 . A A . 6 LEU HD13 1 1 2 668 1 1 6 LEU HD21 H -0.256 9.496 13.302 1.00 . A A . 6 LEU HD21 1 1 2 669 1 1 6 LEU HD22 H -0.825 9.791 11.661 1.00 . A A . 6 LEU HD22 1 1 2 670 1 1 6 LEU HD23 H -0.572 8.139 12.224 1.00 . A A . 6 LEU HD23 1 1 2 671 1 1 6 LEU HG H -2.579 10.058 13.406 1.00 . A A . 6 LEU HG 1 1 2 672 1 1 6 LEU N N -2.104 7.076 10.517 1.00 . A A . 6 LEU N 1 1 2 673 1 1 6 LEU O O -5.272 6.082 10.810 1.00 . A A . 6 LEU O 1 1 2 674 1 1 7 ASP C C -5.598 8.167 7.216 1.00 . A A . 7 ASP C 1 1 2 675 1 1 7 ASP CA C -5.918 7.673 8.621 1.00 . A A . 7 ASP CA 1 1 2 676 1 1 7 ASP CB C -7.135 8.425 9.162 1.00 . A A . 7 ASP CB 1 1 2 677 1 1 7 ASP CG C -8.279 8.429 8.169 1.00 . A A . 7 ASP CG 1 1 2 678 1 1 7 ASP H H -4.132 8.574 9.310 1.00 . A A . 7 ASP H 1 1 2 679 1 1 7 ASP HA H -6.160 6.616 8.574 1.00 . A A . 7 ASP HA 1 1 2 680 1 1 7 ASP HB2 H -7.471 7.949 10.072 1.00 . A A . 7 ASP HB2 1 1 2 681 1 1 7 ASP HB3 H -6.857 9.447 9.374 1.00 . A A . 7 ASP HB3 1 1 2 682 1 1 7 ASP N N -4.766 7.842 9.500 1.00 . A A . 7 ASP N 1 1 2 683 1 1 7 ASP O O -5.209 9.318 7.029 1.00 . A A . 7 ASP O 1 1 2 684 1 1 7 ASP OD1 O -8.782 7.337 7.837 1.00 . A A . 7 ASP OD1 1 1 2 685 1 1 7 ASP OD2 O -8.673 9.521 7.716 1.00 . A A . 7 ASP OD2 1 1 2 686 1 1 8 LEU C C -6.665 7.251 3.973 1.00 . A A . 8 LEU C 1 1 2 687 1 1 8 LEU CA C -5.477 7.629 4.845 1.00 . A A . 8 LEU CA 1 1 2 688 1 1 8 LEU CB C -4.216 6.916 4.313 1.00 . A A . 8 LEU CB 1 1 2 689 1 1 8 LEU CD1 C -2.715 8.837 4.960 1.00 . A A . 8 LEU CD1 1 1 2 690 1 1 8 LEU CD2 C -2.673 6.727 6.314 1.00 . A A . 8 LEU CD2 1 1 2 691 1 1 8 LEU CG C -2.865 7.326 4.926 1.00 . A A . 8 LEU CG 1 1 2 692 1 1 8 LEU H H -6.040 6.366 6.445 1.00 . A A . 8 LEU H 1 1 2 693 1 1 8 LEU HA H -5.343 8.697 4.758 1.00 . A A . 8 LEU HA 1 1 2 694 1 1 8 LEU HB2 H -4.345 5.852 4.453 1.00 . A A . 8 LEU HB2 1 1 2 695 1 1 8 LEU HB3 H -4.148 7.104 3.249 1.00 . A A . 8 LEU HB3 1 1 2 696 1 1 8 LEU HD11 H -1.722 9.089 5.303 1.00 . A A . 8 LEU HD11 1 1 2 697 1 1 8 LEU HD12 H -3.436 9.269 5.624 1.00 . A A . 8 LEU HD12 1 1 2 698 1 1 8 LEU HD13 H -2.854 9.236 3.967 1.00 . A A . 8 LEU HD13 1 1 2 699 1 1 8 LEU HD21 H -3.127 7.352 7.064 1.00 . A A . 8 LEU HD21 1 1 2 700 1 1 8 LEU HD22 H -1.616 6.650 6.517 1.00 . A A . 8 LEU HD22 1 1 2 701 1 1 8 LEU HD23 H -3.111 5.737 6.358 1.00 . A A . 8 LEU HD23 1 1 2 702 1 1 8 LEU HG H -2.076 6.941 4.295 1.00 . A A . 8 LEU HG 1 1 2 703 1 1 8 LEU N N -5.743 7.283 6.237 1.00 . A A . 8 LEU N 1 1 2 704 1 1 8 LEU O O -6.509 7.034 2.768 1.00 . A A . 8 LEU O 1 1 2 705 1 1 9 ALA C C -9.389 7.377 2.643 1.00 . A A . 9 ALA C 1 1 2 706 1 1 9 ALA CA C -9.075 6.696 3.973 1.00 . A A . 9 ALA CA 1 1 2 707 1 1 9 ALA CB C -10.247 6.846 4.930 1.00 . A A . 9 ALA CB 1 1 2 708 1 1 9 ALA H H -7.885 7.425 5.556 1.00 . A A . 9 ALA H 1 1 2 709 1 1 9 ALA HA H -8.924 5.652 3.804 1.00 . A A . 9 ALA HA 1 1 2 710 1 1 9 ALA HB1 H -11.133 6.408 4.495 1.00 . A A . 9 ALA HB1 1 1 2 711 1 1 9 ALA HB2 H -10.423 7.894 5.127 1.00 . A A . 9 ALA HB2 1 1 2 712 1 1 9 ALA HB3 H -10.017 6.342 5.857 1.00 . A A . 9 ALA HB3 1 1 2 713 1 1 9 ALA N N -7.846 7.207 4.597 1.00 . A A . 9 ALA N 1 1 2 714 1 1 9 ALA O O -10.224 8.282 2.569 1.00 . A A . 9 ALA O 1 1 2 715 1 1 10 CYS C C -8.548 8.973 0.291 1.00 . A A . 10 CYS C 1 1 2 716 1 1 10 CYS CA C -8.811 7.478 0.266 1.00 . A A . 10 CYS CA 1 1 2 717 1 1 10 CYS CB C -10.153 7.168 -0.388 1.00 . A A . 10 CYS CB 1 1 2 718 1 1 10 CYS H H -8.078 6.170 1.733 1.00 . A A . 10 CYS H 1 1 2 719 1 1 10 CYS HA H -8.015 7.053 -0.302 1.00 . A A . 10 CYS HA 1 1 2 720 1 1 10 CYS HB2 H -10.917 7.249 0.345 1.00 . A A . 10 CYS HB2 1 1 2 721 1 1 10 CYS HB3 H -10.354 7.873 -1.185 1.00 . A A . 10 CYS HB3 1 1 2 722 1 1 10 CYS N N -8.717 6.906 1.598 1.00 . A A . 10 CYS N 1 1 2 723 1 1 10 CYS O O -9.265 9.752 -0.333 1.00 . A A . 10 CYS O 1 1 2 724 1 1 10 CYS SG S -10.225 5.505 -1.128 1.00 . A A . 10 CYS SG 1 1 2 725 1 1 11 THR C C -6.227 10.970 -0.284 1.00 . A A . 11 THR C 1 1 2 726 1 1 11 THR CA C -7.050 10.749 0.987 1.00 . A A . 11 THR CA 1 1 2 727 1 1 11 THR CB C -6.214 11.106 2.242 1.00 . A A . 11 THR CB 1 1 2 728 1 1 11 THR CG2 C -4.921 10.302 2.289 1.00 . A A . 11 THR CG2 1 1 2 729 1 1 11 THR H H -6.966 8.694 1.491 1.00 . A A . 11 THR H 1 1 2 730 1 1 11 THR HA H -7.919 11.398 0.953 1.00 . A A . 11 THR HA 1 1 2 731 1 1 11 THR HB H -6.788 10.871 3.127 1.00 . A A . 11 THR HB 1 1 2 732 1 1 11 THR HG1 H -5.317 12.749 1.533 1.00 . A A . 11 THR HG1 1 1 2 733 1 1 11 THR HG21 H -5.127 9.249 2.176 1.00 . A A . 11 THR HG21 1 1 2 734 1 1 11 THR HG22 H -4.443 10.468 3.241 1.00 . A A . 11 THR HG22 1 1 2 735 1 1 11 THR HG23 H -4.260 10.629 1.502 1.00 . A A . 11 THR HG23 1 1 2 736 1 1 11 THR N N -7.505 9.366 1.018 1.00 . A A . 11 THR N 1 1 2 737 1 1 11 THR O O -5.944 12.099 -0.687 1.00 . A A . 11 THR O 1 1 2 738 1 1 11 THR OG1 O -5.905 12.510 2.260 1.00 . A A . 11 THR OG1 1 1 2 739 1 1 12 GLY C C -4.148 8.739 -2.234 1.00 . A A . 12 GLY C 1 1 2 740 1 1 12 GLY CA C -5.129 9.887 -2.153 1.00 . A A . 12 GLY CA 1 1 2 741 1 1 12 GLY H H -6.130 8.982 -0.564 1.00 . A A . 12 GLY H 1 1 2 742 1 1 12 GLY HA2 H -5.825 9.825 -2.978 1.00 . A A . 12 GLY HA2 1 1 2 743 1 1 12 GLY HA3 H -4.575 10.816 -2.234 1.00 . A A . 12 GLY HA3 1 1 2 744 1 1 12 GLY N N -5.875 9.857 -0.918 1.00 . A A . 12 GLY N 1 1 2 745 1 1 12 GLY O O -3.459 8.437 -1.259 1.00 . A A . 12 GLY O 1 1 2 746 1 1 13 SER C C -1.714 7.514 -3.541 1.00 . A A . 13 SER C 1 1 2 747 1 1 13 SER CA C -3.151 6.990 -3.587 1.00 . A A . 13 SER CA 1 1 2 748 1 1 13 SER CB C -3.441 6.301 -4.922 1.00 . A A . 13 SER CB 1 1 2 749 1 1 13 SER H H -4.681 8.355 -4.128 1.00 . A A . 13 SER H 1 1 2 750 1 1 13 SER HA H -3.287 6.271 -2.791 1.00 . A A . 13 SER HA 1 1 2 751 1 1 13 SER HB2 H -2.571 5.751 -5.260 1.00 . A A . 13 SER HB2 1 1 2 752 1 1 13 SER HB3 H -4.266 5.616 -4.793 1.00 . A A . 13 SER HB3 1 1 2 753 1 1 13 SER HG H -3.004 7.654 -6.274 1.00 . A A . 13 SER HG 1 1 2 754 1 1 13 SER N N -4.094 8.079 -3.383 1.00 . A A . 13 SER N 1 1 2 755 1 1 13 SER O O -0.825 6.879 -2.968 1.00 . A A . 13 SER O 1 1 2 756 1 1 13 SER OG O -3.798 7.254 -5.909 1.00 . A A . 13 SER OG 1 1 2 757 1 1 14 LYS C C 0.238 9.601 -2.665 1.00 . A A . 14 LYS C 1 1 2 758 1 1 14 LYS CA C -0.209 9.367 -4.101 1.00 . A A . 14 LYS CA 1 1 2 759 1 1 14 LYS CB C -0.283 10.709 -4.833 1.00 . A A . 14 LYS CB 1 1 2 760 1 1 14 LYS CD C 0.664 10.029 -7.065 1.00 . A A . 14 LYS CD 1 1 2 761 1 1 14 LYS CE C 0.449 10.047 -8.571 1.00 . A A . 14 LYS CE 1 1 2 762 1 1 14 LYS CG C -0.540 10.593 -6.326 1.00 . A A . 14 LYS CG 1 1 2 763 1 1 14 LYS H H -2.267 9.163 -4.553 1.00 . A A . 14 LYS H 1 1 2 764 1 1 14 LYS HA H 0.496 8.755 -4.584 1.00 . A A . 14 LYS HA 1 1 2 765 1 1 14 LYS HB2 H -1.087 11.289 -4.404 1.00 . A A . 14 LYS HB2 1 1 2 766 1 1 14 LYS HB3 H 0.647 11.248 -4.689 1.00 . A A . 14 LYS HB3 1 1 2 767 1 1 14 LYS HD2 H 1.534 10.629 -6.836 1.00 . A A . 14 LYS HD2 1 1 2 768 1 1 14 LYS HD3 H 0.827 9.041 -6.747 1.00 . A A . 14 LYS HD3 1 1 2 769 1 1 14 LYS HE2 H 0.210 11.054 -8.882 1.00 . A A . 14 LYS HE2 1 1 2 770 1 1 14 LYS HE3 H 1.366 9.737 -9.050 1.00 . A A . 14 LYS HE3 1 1 2 771 1 1 14 LYS HG2 H -1.388 9.943 -6.489 1.00 . A A . 14 LYS HG2 1 1 2 772 1 1 14 LYS HG3 H -0.763 11.579 -6.712 1.00 . A A . 14 LYS HG3 1 1 2 773 1 1 14 LYS HZ1 H -0.709 9.122 -10.040 1.00 . A A . 14 LYS HZ1 1 1 2 774 1 1 14 LYS HZ2 H -1.559 9.461 -8.621 1.00 . A A . 14 LYS HZ2 1 1 2 775 1 1 14 LYS HZ3 H -0.469 8.166 -8.666 1.00 . A A . 14 LYS HZ3 1 1 2 776 1 1 14 LYS N N -1.509 8.698 -4.126 1.00 . A A . 14 LYS N 1 1 2 777 1 1 14 LYS NZ N -0.648 9.136 -9.002 1.00 . A A . 14 LYS NZ 1 1 2 778 1 1 14 LYS O O 1.416 9.470 -2.335 1.00 . A A . 14 LYS O 1 1 2 779 1 1 15 ASP C C -0.132 8.828 0.258 1.00 . A A . 15 ASP C 1 1 2 780 1 1 15 ASP CA C -0.459 10.160 -0.405 1.00 . A A . 15 ASP CA 1 1 2 781 1 1 15 ASP CB C -1.673 10.800 0.271 1.00 . A A . 15 ASP CB 1 1 2 782 1 1 15 ASP CG C -1.298 11.649 1.470 1.00 . A A . 15 ASP CG 1 1 2 783 1 1 15 ASP H H -1.645 10.051 -2.145 1.00 . A A . 15 ASP H 1 1 2 784 1 1 15 ASP HA H 0.398 10.818 -0.312 1.00 . A A . 15 ASP HA 1 1 2 785 1 1 15 ASP HB2 H -2.178 11.440 -0.440 1.00 . A A . 15 ASP HB2 1 1 2 786 1 1 15 ASP HB3 H -2.363 10.033 0.598 1.00 . A A . 15 ASP HB3 1 1 2 787 1 1 15 ASP N N -0.719 9.954 -1.819 1.00 . A A . 15 ASP N 1 1 2 788 1 1 15 ASP O O 0.826 8.730 1.013 1.00 . A A . 15 ASP O 1 1 2 789 1 1 15 ASP OD1 O -1.142 11.101 2.579 1.00 . A A . 15 ASP OD1 1 1 2 790 1 1 15 ASP OD2 O -1.167 12.881 1.303 1.00 . A A . 15 ASP OD2 1 1 2 791 1 1 16 CYS C C 0.608 5.841 0.167 1.00 . A A . 16 CYS C 1 1 2 792 1 1 16 CYS CA C -0.758 6.457 0.481 1.00 . A A . 16 CYS CA 1 1 2 793 1 1 16 CYS CB C -1.849 5.525 -0.056 1.00 . A A . 16 CYS CB 1 1 2 794 1 1 16 CYS H H -1.659 7.963 -0.709 1.00 . A A . 16 CYS H 1 1 2 795 1 1 16 CYS HA H -0.851 6.531 1.556 1.00 . A A . 16 CYS HA 1 1 2 796 1 1 16 CYS HB2 H -2.180 5.887 -1.016 1.00 . A A . 16 CYS HB2 1 1 2 797 1 1 16 CYS HB3 H -1.445 4.530 -0.192 1.00 . A A . 16 CYS HB3 1 1 2 798 1 1 16 CYS N N -0.922 7.806 -0.073 1.00 . A A . 16 CYS N 1 1 2 799 1 1 16 CYS O O 1.124 5.053 0.965 1.00 . A A . 16 CYS O 1 1 2 800 1 1 16 CYS SG S -3.327 5.383 1.000 1.00 . A A . 16 CYS SG 1 1 2 801 1 1 17 TYR C C 3.533 5.658 -0.358 1.00 . A A . 17 TYR C 1 1 2 802 1 1 17 TYR CA C 2.444 5.572 -1.430 1.00 . A A . 17 TYR CA 1 1 2 803 1 1 17 TYR CB C 2.944 6.221 -2.724 1.00 . A A . 17 TYR CB 1 1 2 804 1 1 17 TYR CD1 C 1.383 4.757 -4.074 1.00 . A A . 17 TYR CD1 1 1 2 805 1 1 17 TYR CD2 C 1.919 6.919 -4.920 1.00 . A A . 17 TYR CD2 1 1 2 806 1 1 17 TYR CE1 C 0.580 4.519 -5.175 1.00 . A A . 17 TYR CE1 1 1 2 807 1 1 17 TYR CE2 C 1.117 6.691 -6.022 1.00 . A A . 17 TYR CE2 1 1 2 808 1 1 17 TYR CG C 2.067 5.960 -3.929 1.00 . A A . 17 TYR CG 1 1 2 809 1 1 17 TYR CZ C 0.449 5.491 -6.145 1.00 . A A . 17 TYR CZ 1 1 2 810 1 1 17 TYR H H 0.707 6.788 -1.604 1.00 . A A . 17 TYR H 1 1 2 811 1 1 17 TYR HA H 2.261 4.527 -1.605 1.00 . A A . 17 TYR HA 1 1 2 812 1 1 17 TYR HB2 H 3.005 7.290 -2.572 1.00 . A A . 17 TYR HB2 1 1 2 813 1 1 17 TYR HB3 H 3.933 5.843 -2.955 1.00 . A A . 17 TYR HB3 1 1 2 814 1 1 17 TYR HD1 H 1.472 3.994 -3.326 1.00 . A A . 17 TYR HD1 1 1 2 815 1 1 17 TYR HD2 H 2.446 7.859 -4.828 1.00 . A A . 17 TYR HD2 1 1 2 816 1 1 17 TYR HE1 H 0.062 3.580 -5.273 1.00 . A A . 17 TYR HE1 1 1 2 817 1 1 17 TYR HE2 H 1.024 7.425 -6.786 1.00 . A A . 17 TYR HE2 1 1 2 818 1 1 17 TYR HH H -1.243 5.576 -7.059 1.00 . A A . 17 TYR HH 1 1 2 819 1 1 17 TYR N N 1.175 6.172 -0.993 1.00 . A A . 17 TYR N 1 1 2 820 1 1 17 TYR O O 4.192 4.659 -0.057 1.00 . A A . 17 TYR O 1 1 2 821 1 1 17 TYR OH O -0.354 5.265 -7.243 1.00 . A A . 17 TYR OH 1 1 2 822 1 1 18 ALA C C 4.584 6.190 2.464 1.00 . A A . 18 ALA C 1 1 2 823 1 1 18 ALA CA C 4.778 7.052 1.203 1.00 . A A . 18 ALA CA 1 1 2 824 1 1 18 ALA CB C 4.907 8.531 1.550 1.00 . A A . 18 ALA CB 1 1 2 825 1 1 18 ALA H H 3.149 7.602 -0.053 1.00 . A A . 18 ALA H 1 1 2 826 1 1 18 ALA HA H 5.710 6.753 0.737 1.00 . A A . 18 ALA HA 1 1 2 827 1 1 18 ALA HB1 H 5.150 8.657 2.598 1.00 . A A . 18 ALA HB1 1 1 2 828 1 1 18 ALA HB2 H 3.983 9.048 1.335 1.00 . A A . 18 ALA HB2 1 1 2 829 1 1 18 ALA HB3 H 5.696 8.963 0.953 1.00 . A A . 18 ALA HB3 1 1 2 830 1 1 18 ALA N N 3.713 6.840 0.222 1.00 . A A . 18 ALA N 1 1 2 831 1 1 18 ALA O O 5.469 5.400 2.801 1.00 . A A . 18 ALA O 1 1 2 832 1 1 19 PRO C C 3.284 3.993 4.083 1.00 . A A . 19 PRO C 1 1 2 833 1 1 19 PRO CA C 3.165 5.489 4.368 1.00 . A A . 19 PRO CA 1 1 2 834 1 1 19 PRO CB C 1.722 5.846 4.733 1.00 . A A . 19 PRO CB 1 1 2 835 1 1 19 PRO CD C 2.346 7.277 2.942 1.00 . A A . 19 PRO CD 1 1 2 836 1 1 19 PRO CG C 1.530 7.217 4.200 1.00 . A A . 19 PRO CG 1 1 2 837 1 1 19 PRO HA H 3.818 5.747 5.188 1.00 . A A . 19 PRO HA 1 1 2 838 1 1 19 PRO HB2 H 1.019 5.149 4.296 1.00 . A A . 19 PRO HB2 1 1 2 839 1 1 19 PRO HB3 H 1.626 5.850 5.795 1.00 . A A . 19 PRO HB3 1 1 2 840 1 1 19 PRO HD2 H 1.761 6.982 2.111 1.00 . A A . 19 PRO HD2 1 1 2 841 1 1 19 PRO HD3 H 2.719 8.271 2.810 1.00 . A A . 19 PRO HD3 1 1 2 842 1 1 19 PRO HG2 H 0.486 7.384 3.980 1.00 . A A . 19 PRO HG2 1 1 2 843 1 1 19 PRO HG3 H 1.887 7.944 4.914 1.00 . A A . 19 PRO HG3 1 1 2 844 1 1 19 PRO N N 3.441 6.315 3.187 1.00 . A A . 19 PRO N 1 1 2 845 1 1 19 PRO O O 3.888 3.255 4.859 1.00 . A A . 19 PRO O 1 1 2 846 1 1 20 CYS C C 4.208 1.676 2.431 1.00 . A A . 20 CYS C 1 1 2 847 1 1 20 CYS CA C 2.768 2.142 2.602 1.00 . A A . 20 CYS CA 1 1 2 848 1 1 20 CYS CB C 1.981 1.883 1.318 1.00 . A A . 20 CYS CB 1 1 2 849 1 1 20 CYS H H 2.259 4.190 2.370 1.00 . A A . 20 CYS H 1 1 2 850 1 1 20 CYS HA H 2.315 1.575 3.405 1.00 . A A . 20 CYS HA 1 1 2 851 1 1 20 CYS HB2 H 0.948 2.156 1.475 1.00 . A A . 20 CYS HB2 1 1 2 852 1 1 20 CYS HB3 H 2.390 2.491 0.524 1.00 . A A . 20 CYS HB3 1 1 2 853 1 1 20 CYS N N 2.723 3.553 2.965 1.00 . A A . 20 CYS N 1 1 2 854 1 1 20 CYS O O 4.600 0.635 2.963 1.00 . A A . 20 CYS O 1 1 2 855 1 1 20 CYS SG S 2.028 0.147 0.768 1.00 . A A . 20 CYS SG 1 1 2 856 1 1 21 ARG C C 7.139 2.122 2.834 1.00 . A A . 21 ARG C 1 1 2 857 1 1 21 ARG CA C 6.404 2.152 1.503 1.00 . A A . 21 ARG CA 1 1 2 858 1 1 21 ARG CB C 7.047 3.183 0.574 1.00 . A A . 21 ARG CB 1 1 2 859 1 1 21 ARG CD C 9.105 3.942 -0.655 1.00 . A A . 21 ARG CD 1 1 2 860 1 1 21 ARG CG C 8.481 2.849 0.197 1.00 . A A . 21 ARG CG 1 1 2 861 1 1 21 ARG CZ C 11.459 4.505 -1.109 1.00 . A A . 21 ARG CZ 1 1 2 862 1 1 21 ARG H H 4.633 3.299 1.330 1.00 . A A . 21 ARG H 1 1 2 863 1 1 21 ARG HA H 6.474 1.181 1.059 1.00 . A A . 21 ARG HA 1 1 2 864 1 1 21 ARG HB2 H 6.462 3.250 -0.306 1.00 . A A . 21 ARG HB2 1 1 2 865 1 1 21 ARG HB3 H 7.040 4.148 1.067 1.00 . A A . 21 ARG HB3 1 1 2 866 1 1 21 ARG HD2 H 8.507 4.070 -1.549 1.00 . A A . 21 ARG HD2 1 1 2 867 1 1 21 ARG HD3 H 9.085 4.851 -0.078 1.00 . A A . 21 ARG HD3 1 1 2 868 1 1 21 ARG HE H 10.667 2.681 -1.291 1.00 . A A . 21 ARG HE 1 1 2 869 1 1 21 ARG HG2 H 9.072 2.736 1.093 1.00 . A A . 21 ARG HG2 1 1 2 870 1 1 21 ARG HG3 H 8.489 1.924 -0.360 1.00 . A A . 21 ARG HG3 1 1 2 871 1 1 21 ARG HH11 H 10.341 6.103 -0.527 1.00 . A A . 21 ARG HH11 1 1 2 872 1 1 21 ARG HH12 H 11.995 6.432 -0.849 1.00 . A A . 21 ARG HH12 1 1 2 873 1 1 21 ARG HH21 H 12.843 3.159 -1.712 1.00 . A A . 21 ARG HH21 1 1 2 874 1 1 21 ARG HH22 H 13.419 4.782 -1.525 1.00 . A A . 21 ARG HH22 1 1 2 875 1 1 21 ARG N N 4.999 2.467 1.714 1.00 . A A . 21 ARG N 1 1 2 876 1 1 21 ARG NE N 10.474 3.617 -1.050 1.00 . A A . 21 ARG NE 1 1 2 877 1 1 21 ARG NH1 N 11.238 5.777 -0.803 1.00 . A A . 21 ARG NH1 1 1 2 878 1 1 21 ARG NH2 N 12.670 4.118 -1.478 1.00 . A A . 21 ARG NH2 1 1 2 879 1 1 21 ARG O O 7.936 1.225 3.098 1.00 . A A . 21 ARG O 1 1 2 880 1 1 22 LYS C C 7.039 2.028 5.876 1.00 . A A . 22 LYS C 1 1 2 881 1 1 22 LYS CA C 7.462 3.203 4.990 1.00 . A A . 22 LYS CA 1 1 2 882 1 1 22 LYS CB C 7.061 4.534 5.634 1.00 . A A . 22 LYS CB 1 1 2 883 1 1 22 LYS CD C 7.376 6.212 7.474 1.00 . A A . 22 LYS CD 1 1 2 884 1 1 22 LYS CE C 7.810 7.325 6.530 1.00 . A A . 22 LYS CE 1 1 2 885 1 1 22 LYS CG C 7.765 4.838 6.947 1.00 . A A . 22 LYS CG 1 1 2 886 1 1 22 LYS H H 6.191 3.789 3.405 1.00 . A A . 22 LYS H 1 1 2 887 1 1 22 LYS HA H 8.537 3.182 4.868 1.00 . A A . 22 LYS HA 1 1 2 888 1 1 22 LYS HB2 H 7.291 5.311 4.926 1.00 . A A . 22 LYS HB2 1 1 2 889 1 1 22 LYS HB3 H 5.993 4.531 5.809 1.00 . A A . 22 LYS HB3 1 1 2 890 1 1 22 LYS HD2 H 6.303 6.256 7.597 1.00 . A A . 22 LYS HD2 1 1 2 891 1 1 22 LYS HD3 H 7.852 6.363 8.432 1.00 . A A . 22 LYS HD3 1 1 2 892 1 1 22 LYS HE2 H 7.381 7.177 5.555 1.00 . A A . 22 LYS HE2 1 1 2 893 1 1 22 LYS HE3 H 7.447 8.261 6.929 1.00 . A A . 22 LYS HE3 1 1 2 894 1 1 22 LYS HG2 H 7.479 4.093 7.675 1.00 . A A . 22 LYS HG2 1 1 2 895 1 1 22 LYS HG3 H 8.833 4.801 6.795 1.00 . A A . 22 LYS HG3 1 1 2 896 1 1 22 LYS HZ1 H 9.550 8.257 5.862 1.00 . A A . 22 LYS HZ1 1 1 2 897 1 1 22 LYS HZ2 H 9.662 6.575 5.921 1.00 . A A . 22 LYS HZ2 1 1 2 898 1 1 22 LYS HZ3 H 9.731 7.477 7.352 1.00 . A A . 22 LYS HZ3 1 1 2 899 1 1 22 LYS N N 6.848 3.103 3.673 1.00 . A A . 22 LYS N 1 1 2 900 1 1 22 LYS NZ N 9.290 7.412 6.410 1.00 . A A . 22 LYS NZ 1 1 2 901 1 1 22 LYS O O 7.765 1.622 6.784 1.00 . A A . 22 LYS O 1 1 2 902 1 1 23 GLN C C 5.951 -0.961 5.916 1.00 . A A . 23 GLN C 1 1 2 903 1 1 23 GLN CA C 5.341 0.360 6.372 1.00 . A A . 23 GLN CA 1 1 2 904 1 1 23 GLN CB C 3.819 0.289 6.250 1.00 . A A . 23 GLN CB 1 1 2 905 1 1 23 GLN CD C 1.693 -0.915 6.904 1.00 . A A . 23 GLN CD 1 1 2 906 1 1 23 GLN CG C 3.194 -0.813 7.090 1.00 . A A . 23 GLN CG 1 1 2 907 1 1 23 GLN H H 5.317 1.836 4.872 1.00 . A A . 23 GLN H 1 1 2 908 1 1 23 GLN HA H 5.580 0.518 7.386 1.00 . A A . 23 GLN HA 1 1 2 909 1 1 23 GLN HB2 H 3.416 1.218 6.539 1.00 . A A . 23 GLN HB2 1 1 2 910 1 1 23 GLN HB3 H 3.576 0.118 5.217 1.00 . A A . 23 GLN HB3 1 1 2 911 1 1 23 GLN HE21 H 1.800 -0.292 4.999 1.00 . A A . 23 GLN HE21 1 1 2 912 1 1 23 GLN HE22 H 0.237 -0.637 5.603 1.00 . A A . 23 GLN HE22 1 1 2 913 1 1 23 GLN HG2 H 3.628 -1.763 6.817 1.00 . A A . 23 GLN HG2 1 1 2 914 1 1 23 GLN HG3 H 3.398 -0.612 8.131 1.00 . A A . 23 GLN HG3 1 1 2 915 1 1 23 GLN N N 5.863 1.480 5.603 1.00 . A A . 23 GLN N 1 1 2 916 1 1 23 GLN NE2 N 1.209 -0.580 5.717 1.00 . A A . 23 GLN NE2 1 1 2 917 1 1 23 GLN O O 6.694 -1.599 6.662 1.00 . A A . 23 GLN O 1 1 2 918 1 1 23 GLN OE1 O 0.972 -1.296 7.822 1.00 . A A . 23 GLN OE1 1 1 2 919 1 1 24 THR C C 7.437 -2.663 3.611 1.00 . A A . 24 THR C 1 1 2 920 1 1 24 THR CA C 6.029 -2.671 4.187 1.00 . A A . 24 THR CA 1 1 2 921 1 1 24 THR CB C 5.054 -3.144 3.094 1.00 . A A . 24 THR CB 1 1 2 922 1 1 24 THR CG2 C 3.647 -3.307 3.647 1.00 . A A . 24 THR CG2 1 1 2 923 1 1 24 THR H H 5.071 -0.792 4.124 1.00 . A A . 24 THR H 1 1 2 924 1 1 24 THR HA H 5.998 -3.379 5.008 1.00 . A A . 24 THR HA 1 1 2 925 1 1 24 THR HB H 5.376 -4.105 2.708 1.00 . A A . 24 THR HB 1 1 2 926 1 1 24 THR HG1 H 4.768 -2.631 1.206 1.00 . A A . 24 THR HG1 1 1 2 927 1 1 24 THR HG21 H 3.297 -2.360 4.032 1.00 . A A . 24 THR HG21 1 1 2 928 1 1 24 THR HG22 H 3.652 -4.039 4.442 1.00 . A A . 24 THR HG22 1 1 2 929 1 1 24 THR HG23 H 2.988 -3.639 2.858 1.00 . A A . 24 THR HG23 1 1 2 930 1 1 24 THR N N 5.649 -1.357 4.687 1.00 . A A . 24 THR N 1 1 2 931 1 1 24 THR O O 8.162 -3.658 3.689 1.00 . A A . 24 THR O 1 1 2 932 1 1 24 THR OG1 O 5.038 -2.195 2.018 1.00 . A A . 24 THR OG1 1 1 2 933 1 1 25 GLY C C 8.846 -1.113 0.871 1.00 . A A . 25 GLY C 1 1 2 934 1 1 25 GLY CA C 9.075 -1.453 2.327 1.00 . A A . 25 GLY CA 1 1 2 935 1 1 25 GLY H H 7.213 -0.759 3.012 1.00 . A A . 25 GLY H 1 1 2 936 1 1 25 GLY HA2 H 9.679 -0.676 2.772 1.00 . A A . 25 GLY HA2 1 1 2 937 1 1 25 GLY HA3 H 9.617 -2.389 2.383 1.00 . A A . 25 GLY HA3 1 1 2 938 1 1 25 GLY N N 7.822 -1.531 3.044 1.00 . A A . 25 GLY N 1 1 2 939 1 1 25 GLY O O 9.741 -0.610 0.195 1.00 . A A . 25 GLY O 1 1 2 940 1 1 26 CYS C C 6.072 -0.200 -1.085 1.00 . A A . 26 CYS C 1 1 2 941 1 1 26 CYS CA C 7.275 -1.137 -0.993 1.00 . A A . 26 CYS CA 1 1 2 942 1 1 26 CYS CB C 6.980 -2.468 -1.687 1.00 . A A . 26 CYS CB 1 1 2 943 1 1 26 CYS H H 6.948 -1.762 0.984 1.00 . A A . 26 CYS H 1 1 2 944 1 1 26 CYS HA H 8.121 -0.682 -1.480 1.00 . A A . 26 CYS HA 1 1 2 945 1 1 26 CYS HB2 H 6.232 -3.006 -1.135 1.00 . A A . 26 CYS HB2 1 1 2 946 1 1 26 CYS HB3 H 6.617 -2.256 -2.674 1.00 . A A . 26 CYS HB3 1 1 2 947 1 1 26 CYS N N 7.633 -1.370 0.400 1.00 . A A . 26 CYS N 1 1 2 948 1 1 26 CYS O O 5.136 -0.305 -0.296 1.00 . A A . 26 CYS O 1 1 2 949 1 1 26 CYS SG S 8.438 -3.551 -1.887 1.00 . A A . 26 CYS SG 1 1 2 950 1 1 27 PRO C C 3.854 1.440 -2.985 1.00 . A A . 27 PRO C 1 1 2 951 1 1 27 PRO CA C 5.084 1.799 -2.148 1.00 . A A . 27 PRO CA 1 1 2 952 1 1 27 PRO CB C 5.872 2.906 -2.833 1.00 . A A . 27 PRO CB 1 1 2 953 1 1 27 PRO CD C 7.103 0.854 -3.115 1.00 . A A . 27 PRO CD 1 1 2 954 1 1 27 PRO CG C 6.797 2.186 -3.759 1.00 . A A . 27 PRO CG 1 1 2 955 1 1 27 PRO HA H 4.763 2.144 -1.175 1.00 . A A . 27 PRO HA 1 1 2 956 1 1 27 PRO HB2 H 5.211 3.573 -3.373 1.00 . A A . 27 PRO HB2 1 1 2 957 1 1 27 PRO HB3 H 6.424 3.471 -2.108 1.00 . A A . 27 PRO HB3 1 1 2 958 1 1 27 PRO HD2 H 7.003 0.055 -3.835 1.00 . A A . 27 PRO HD2 1 1 2 959 1 1 27 PRO HD3 H 8.099 0.872 -2.704 1.00 . A A . 27 PRO HD3 1 1 2 960 1 1 27 PRO HG2 H 6.315 2.036 -4.714 1.00 . A A . 27 PRO HG2 1 1 2 961 1 1 27 PRO HG3 H 7.705 2.757 -3.885 1.00 . A A . 27 PRO HG3 1 1 2 962 1 1 27 PRO N N 6.088 0.735 -2.049 1.00 . A A . 27 PRO N 1 1 2 963 1 1 27 PRO O O 3.103 2.325 -3.392 1.00 . A A . 27 PRO O 1 1 2 964 1 1 28 ASN C C 1.229 -0.339 -3.189 1.00 . A A . 28 ASN C 1 1 2 965 1 1 28 ASN CA C 2.497 -0.268 -4.039 1.00 . A A . 28 ASN CA 1 1 2 966 1 1 28 ASN CB C 2.764 -1.613 -4.737 1.00 . A A . 28 ASN CB 1 1 2 967 1 1 28 ASN CG C 3.355 -2.670 -3.823 1.00 . A A . 28 ASN CG 1 1 2 968 1 1 28 ASN H H 4.257 -0.509 -2.894 1.00 . A A . 28 ASN H 1 1 2 969 1 1 28 ASN HA H 2.339 0.475 -4.817 1.00 . A A . 28 ASN HA 1 1 2 970 1 1 28 ASN HB2 H 1.848 -1.999 -5.152 1.00 . A A . 28 ASN HB2 1 1 2 971 1 1 28 ASN HB3 H 3.458 -1.441 -5.549 1.00 . A A . 28 ASN HB3 1 1 2 972 1 1 28 ASN HD21 H 5.208 -2.192 -4.400 1.00 . A A . 28 ASN HD21 1 1 2 973 1 1 28 ASN HD22 H 5.059 -3.495 -3.275 1.00 . A A . 28 ASN HD22 1 1 2 974 1 1 28 ASN N N 3.644 0.159 -3.241 1.00 . A A . 28 ASN N 1 1 2 975 1 1 28 ASN ND2 N 4.672 -2.787 -3.827 1.00 . A A . 28 ASN ND2 1 1 2 976 1 1 28 ASN O O 0.923 -1.362 -2.575 1.00 . A A . 28 ASN O 1 1 2 977 1 1 28 ASN OD1 O 2.638 -3.398 -3.143 1.00 . A A . 28 ASN OD1 1 1 2 978 1 1 29 ALA C C -1.849 1.529 -3.150 1.00 . A A . 29 ALA C 1 1 2 979 1 1 29 ALA CA C -0.742 0.825 -2.386 1.00 . A A . 29 ALA CA 1 1 2 980 1 1 29 ALA CB C -0.508 1.537 -1.069 1.00 . A A . 29 ALA CB 1 1 2 981 1 1 29 ALA H H 0.773 1.559 -3.666 1.00 . A A . 29 ALA H 1 1 2 982 1 1 29 ALA HA H -1.074 -0.178 -2.167 1.00 . A A . 29 ALA HA 1 1 2 983 1 1 29 ALA HB1 H -0.697 0.855 -0.264 1.00 . A A . 29 ALA HB1 1 1 2 984 1 1 29 ALA HB2 H -1.171 2.388 -0.969 1.00 . A A . 29 ALA HB2 1 1 2 985 1 1 29 ALA HB3 H 0.512 1.883 -1.013 1.00 . A A . 29 ALA HB3 1 1 2 986 1 1 29 ALA N N 0.487 0.762 -3.159 1.00 . A A . 29 ALA N 1 1 2 987 1 1 29 ALA O O -1.596 2.394 -3.989 1.00 . A A . 29 ALA O 1 1 2 988 1 1 30 LYS C C -5.381 1.693 -2.381 1.00 . A A . 30 LYS C 1 1 2 989 1 1 30 LYS CA C -4.258 1.783 -3.401 1.00 . A A . 30 LYS CA 1 1 2 990 1 1 30 LYS CB C -4.682 1.108 -4.707 1.00 . A A . 30 LYS CB 1 1 2 991 1 1 30 LYS CD C -6.378 0.973 -6.571 1.00 . A A . 30 LYS CD 1 1 2 992 1 1 30 LYS CE C -5.574 1.237 -7.840 1.00 . A A . 30 LYS CE 1 1 2 993 1 1 30 LYS CG C -5.876 1.773 -5.377 1.00 . A A . 30 LYS CG 1 1 2 994 1 1 30 LYS H H -3.198 0.437 -2.166 1.00 . A A . 30 LYS H 1 1 2 995 1 1 30 LYS HA H -4.037 2.829 -3.592 1.00 . A A . 30 LYS HA 1 1 2 996 1 1 30 LYS HB2 H -3.845 1.145 -5.370 1.00 . A A . 30 LYS HB2 1 1 2 997 1 1 30 LYS HB3 H -4.926 0.072 -4.505 1.00 . A A . 30 LYS HB3 1 1 2 998 1 1 30 LYS HD2 H -6.332 -0.084 -6.346 1.00 . A A . 30 LYS HD2 1 1 2 999 1 1 30 LYS HD3 H -7.407 1.248 -6.754 1.00 . A A . 30 LYS HD3 1 1 2 1000 1 1 30 LYS HE2 H -6.032 0.697 -8.654 1.00 . A A . 30 LYS HE2 1 1 2 1001 1 1 30 LYS HE3 H -5.604 2.296 -8.056 1.00 . A A . 30 LYS HE3 1 1 2 1002 1 1 30 LYS HG2 H -6.687 1.850 -4.670 1.00 . A A . 30 LYS HG2 1 1 2 1003 1 1 30 LYS HG3 H -5.590 2.764 -5.702 1.00 . A A . 30 LYS HG3 1 1 2 1004 1 1 30 LYS HZ1 H -3.785 0.575 -8.669 1.00 . A A . 30 LYS HZ1 1 1 2 1005 1 1 30 LYS HZ2 H -4.059 -0.030 -7.123 1.00 . A A . 30 LYS HZ2 1 1 2 1006 1 1 30 LYS HZ3 H -3.580 1.579 -7.332 1.00 . A A . 30 LYS HZ3 1 1 2 1007 1 1 30 LYS N N -3.076 1.144 -2.846 1.00 . A A . 30 LYS N 1 1 2 1008 1 1 30 LYS NZ N -4.155 0.808 -7.725 1.00 . A A . 30 LYS NZ 1 1 2 1009 1 1 30 LYS O O -5.470 0.715 -1.645 1.00 . A A . 30 LYS O 1 1 2 1010 1 1 31 CYS C C -8.568 2.077 -1.936 1.00 . A A . 31 CYS C 1 1 2 1011 1 1 31 CYS CA C -7.301 2.698 -1.341 1.00 . A A . 31 CYS CA 1 1 2 1012 1 1 31 CYS CB C -7.551 4.115 -0.798 1.00 . A A . 31 CYS CB 1 1 2 1013 1 1 31 CYS H H -6.125 3.473 -2.925 1.00 . A A . 31 CYS H 1 1 2 1014 1 1 31 CYS HA H -6.998 2.087 -0.518 1.00 . A A . 31 CYS HA 1 1 2 1015 1 1 31 CYS HB2 H -8.151 4.041 0.095 1.00 . A A . 31 CYS HB2 1 1 2 1016 1 1 31 CYS HB3 H -6.598 4.553 -0.534 1.00 . A A . 31 CYS HB3 1 1 2 1017 1 1 31 CYS N N -6.230 2.701 -2.320 1.00 . A A . 31 CYS N 1 1 2 1018 1 1 31 CYS O O -9.207 2.648 -2.819 1.00 . A A . 31 CYS O 1 1 2 1019 1 1 31 CYS SG S -8.378 5.264 -1.947 1.00 . A A . 31 CYS SG 1 1 2 1020 1 1 32 ILE C C -11.188 0.332 -0.910 1.00 . A A . 32 ILE C 1 1 2 1021 1 1 32 ILE CA C -10.080 0.171 -1.934 1.00 . A A . 32 ILE CA 1 1 2 1022 1 1 32 ILE CB C -9.818 -1.341 -2.176 1.00 . A A . 32 ILE CB 1 1 2 1023 1 1 32 ILE CD1 C -7.589 -1.058 -3.393 1.00 . A A . 32 ILE CD1 1 1 2 1024 1 1 32 ILE CG1 C -9.008 -1.570 -3.459 1.00 . A A . 32 ILE CG1 1 1 2 1025 1 1 32 ILE CG2 C -11.128 -2.117 -2.246 1.00 . A A . 32 ILE CG2 1 1 2 1026 1 1 32 ILE H H -8.325 0.444 -0.796 1.00 . A A . 32 ILE H 1 1 2 1027 1 1 32 ILE HA H -10.407 0.605 -2.877 1.00 . A A . 32 ILE HA 1 1 2 1028 1 1 32 ILE HB H -9.258 -1.720 -1.334 1.00 . A A . 32 ILE HB 1 1 2 1029 1 1 32 ILE HD11 H -7.586 0.014 -3.519 1.00 . A A . 32 ILE HD11 1 1 2 1030 1 1 32 ILE HD12 H -7.010 -1.512 -4.184 1.00 . A A . 32 ILE HD12 1 1 2 1031 1 1 32 ILE HD13 H -7.148 -1.311 -2.438 1.00 . A A . 32 ILE HD13 1 1 2 1032 1 1 32 ILE HG12 H -8.954 -2.631 -3.665 1.00 . A A . 32 ILE HG12 1 1 2 1033 1 1 32 ILE HG13 H -9.501 -1.076 -4.285 1.00 . A A . 32 ILE HG13 1 1 2 1034 1 1 32 ILE HG21 H -11.847 -1.579 -2.851 1.00 . A A . 32 ILE HG21 1 1 2 1035 1 1 32 ILE HG22 H -11.525 -2.252 -1.250 1.00 . A A . 32 ILE HG22 1 1 2 1036 1 1 32 ILE HG23 H -10.957 -3.093 -2.684 1.00 . A A . 32 ILE HG23 1 1 2 1037 1 1 32 ILE N N -8.891 0.875 -1.478 1.00 . A A . 32 ILE N 1 1 2 1038 1 1 32 ILE O O -11.033 -0.072 0.243 1.00 . A A . 32 ILE O 1 1 2 1039 1 1 33 ASN C C -12.974 1.960 0.777 1.00 . A A . 33 ASN C 1 1 2 1040 1 1 33 ASN CA C -13.427 1.184 -0.458 1.00 . A A . 33 ASN CA 1 1 2 1041 1 1 33 ASN CB C -14.079 -0.150 -0.066 1.00 . A A . 33 ASN CB 1 1 2 1042 1 1 33 ASN CG C -15.452 0.013 0.566 1.00 . A A . 33 ASN CG 1 1 2 1043 1 1 33 ASN H H -12.335 1.271 -2.259 1.00 . A A . 33 ASN H 1 1 2 1044 1 1 33 ASN HA H -14.118 1.788 -1.016 1.00 . A A . 33 ASN HA 1 1 2 1045 1 1 33 ASN HB2 H -14.192 -0.756 -0.953 1.00 . A A . 33 ASN HB2 1 1 2 1046 1 1 33 ASN HB3 H -13.440 -0.672 0.634 1.00 . A A . 33 ASN HB3 1 1 2 1047 1 1 33 ASN HD21 H -15.870 1.632 -0.548 1.00 . A A . 33 ASN HD21 1 1 2 1048 1 1 33 ASN HD22 H -17.076 1.139 0.563 1.00 . A A . 33 ASN HD22 1 1 2 1049 1 1 33 ASN N N -12.281 0.950 -1.331 1.00 . A A . 33 ASN N 1 1 2 1050 1 1 33 ASN ND2 N -16.196 1.030 0.145 1.00 . A A . 33 ASN ND2 1 1 2 1051 1 1 33 ASN O O -13.259 1.579 1.912 1.00 . A A . 33 ASN O 1 1 2 1052 1 1 33 ASN OD1 O -15.850 -0.782 1.419 1.00 . A A . 33 ASN OD1 1 1 2 1053 1 1 34 LYS C C -10.489 3.222 2.313 1.00 . A A . 34 LYS C 1 1 2 1054 1 1 34 LYS CA C -11.647 3.893 1.566 1.00 . A A . 34 LYS CA 1 1 2 1055 1 1 34 LYS CB C -12.724 4.367 2.558 1.00 . A A . 34 LYS CB 1 1 2 1056 1 1 34 LYS CD C -13.105 6.482 1.261 1.00 . A A . 34 LYS CD 1 1 2 1057 1 1 34 LYS CE C -14.128 7.479 0.745 1.00 . A A . 34 LYS CE 1 1 2 1058 1 1 34 LYS CG C -13.762 5.291 1.939 1.00 . A A . 34 LYS CG 1 1 2 1059 1 1 34 LYS H H -11.995 3.252 -0.409 1.00 . A A . 34 LYS H 1 1 2 1060 1 1 34 LYS HA H -11.234 4.742 1.090 1.00 . A A . 34 LYS HA 1 1 2 1061 1 1 34 LYS HB2 H -13.233 3.522 2.983 1.00 . A A . 34 LYS HB2 1 1 2 1062 1 1 34 LYS HB3 H -12.243 4.911 3.360 1.00 . A A . 34 LYS HB3 1 1 2 1063 1 1 34 LYS HD2 H -12.443 6.982 1.951 1.00 . A A . 34 LYS HD2 1 1 2 1064 1 1 34 LYS HD3 H -12.554 6.123 0.418 1.00 . A A . 34 LYS HD3 1 1 2 1065 1 1 34 LYS HE2 H -13.616 8.221 0.150 1.00 . A A . 34 LYS HE2 1 1 2 1066 1 1 34 LYS HE3 H -14.849 6.962 0.126 1.00 . A A . 34 LYS HE3 1 1 2 1067 1 1 34 LYS HG2 H -14.331 4.739 1.206 1.00 . A A . 34 LYS HG2 1 1 2 1068 1 1 34 LYS HG3 H -14.419 5.641 2.721 1.00 . A A . 34 LYS HG3 1 1 2 1069 1 1 34 LYS HZ1 H -15.456 8.909 1.467 1.00 . A A . 34 LYS HZ1 1 1 2 1070 1 1 34 LYS HZ2 H -14.162 8.602 2.510 1.00 . A A . 34 LYS HZ2 1 1 2 1071 1 1 34 LYS HZ3 H -15.429 7.487 2.377 1.00 . A A . 34 LYS HZ3 1 1 2 1072 1 1 34 LYS N N -12.211 3.029 0.523 1.00 . A A . 34 LYS N 1 1 2 1073 1 1 34 LYS NZ N -14.841 8.164 1.852 1.00 . A A . 34 LYS NZ 1 1 2 1074 1 1 34 LYS O O -9.716 3.893 2.994 1.00 . A A . 34 LYS O 1 1 2 1075 1 1 35 SER C C -7.996 1.206 2.047 1.00 . A A . 35 SER C 1 1 2 1076 1 1 35 SER CA C -9.290 1.189 2.859 1.00 . A A . 35 SER CA 1 1 2 1077 1 1 35 SER CB C -9.729 -0.253 3.116 1.00 . A A . 35 SER CB 1 1 2 1078 1 1 35 SER H H -10.945 1.405 1.605 1.00 . A A . 35 SER H 1 1 2 1079 1 1 35 SER HA H -9.114 1.663 3.820 1.00 . A A . 35 SER HA 1 1 2 1080 1 1 35 SER HB2 H -9.861 -0.771 2.180 1.00 . A A . 35 SER HB2 1 1 2 1081 1 1 35 SER HB3 H -8.972 -0.758 3.700 1.00 . A A . 35 SER HB3 1 1 2 1082 1 1 35 SER HG H -11.294 -1.189 3.839 1.00 . A A . 35 SER HG 1 1 2 1083 1 1 35 SER N N -10.345 1.913 2.168 1.00 . A A . 35 SER N 1 1 2 1084 1 1 35 SER O O -7.876 0.515 1.036 1.00 . A A . 35 SER O 1 1 2 1085 1 1 35 SER OG O -10.952 -0.292 3.837 1.00 . A A . 35 SER OG 1 1 2 1086 1 1 36 CYS C C -5.031 0.711 2.025 1.00 . A A . 36 CYS C 1 1 2 1087 1 1 36 CYS CA C -5.726 2.058 1.842 1.00 . A A . 36 CYS CA 1 1 2 1088 1 1 36 CYS CB C -4.875 3.186 2.435 1.00 . A A . 36 CYS CB 1 1 2 1089 1 1 36 CYS H H -7.196 2.568 3.284 1.00 . A A . 36 CYS H 1 1 2 1090 1 1 36 CYS HA H -5.856 2.248 0.799 1.00 . A A . 36 CYS HA 1 1 2 1091 1 1 36 CYS HB2 H -5.438 4.105 2.383 1.00 . A A . 36 CYS HB2 1 1 2 1092 1 1 36 CYS HB3 H -4.666 2.966 3.474 1.00 . A A . 36 CYS HB3 1 1 2 1093 1 1 36 CYS N N -7.038 2.021 2.478 1.00 . A A . 36 CYS N 1 1 2 1094 1 1 36 CYS O O -4.614 0.364 3.132 1.00 . A A . 36 CYS O 1 1 2 1095 1 1 36 CYS SG S -3.281 3.439 1.591 1.00 . A A . 36 CYS SG 1 1 2 1096 1 1 37 LYS C C -3.199 -1.570 0.112 1.00 . A A . 37 LYS C 1 1 2 1097 1 1 37 LYS CA C -4.423 -1.410 1.007 1.00 . A A . 37 LYS CA 1 1 2 1098 1 1 37 LYS CB C -5.542 -2.382 0.599 1.00 . A A . 37 LYS CB 1 1 2 1099 1 1 37 LYS CD C -4.662 -4.606 -0.227 1.00 . A A . 37 LYS CD 1 1 2 1100 1 1 37 LYS CE C -5.600 -4.644 -1.422 1.00 . A A . 37 LYS CE 1 1 2 1101 1 1 37 LYS CG C -5.268 -3.840 0.939 1.00 . A A . 37 LYS CG 1 1 2 1102 1 1 37 LYS H H -5.289 0.274 0.087 1.00 . A A . 37 LYS H 1 1 2 1103 1 1 37 LYS HA H -4.138 -1.631 2.031 1.00 . A A . 37 LYS HA 1 1 2 1104 1 1 37 LYS HB2 H -6.440 -2.094 1.133 1.00 . A A . 37 LYS HB2 1 1 2 1105 1 1 37 LYS HB3 H -5.732 -2.271 -0.453 1.00 . A A . 37 LYS HB3 1 1 2 1106 1 1 37 LYS HD2 H -3.751 -4.128 -0.527 1.00 . A A . 37 LYS HD2 1 1 2 1107 1 1 37 LYS HD3 H -4.454 -5.618 0.088 1.00 . A A . 37 LYS HD3 1 1 2 1108 1 1 37 LYS HE2 H -6.593 -4.918 -1.091 1.00 . A A . 37 LYS HE2 1 1 2 1109 1 1 37 LYS HE3 H -5.630 -3.667 -1.878 1.00 . A A . 37 LYS HE3 1 1 2 1110 1 1 37 LYS HG2 H -4.587 -3.895 1.778 1.00 . A A . 37 LYS HG2 1 1 2 1111 1 1 37 LYS HG3 H -6.203 -4.309 1.215 1.00 . A A . 37 LYS HG3 1 1 2 1112 1 1 37 LYS HZ1 H -4.206 -5.380 -2.797 1.00 . A A . 37 LYS HZ1 1 1 2 1113 1 1 37 LYS HZ2 H -5.817 -5.628 -3.247 1.00 . A A . 37 LYS HZ2 1 1 2 1114 1 1 37 LYS HZ3 H -5.124 -6.585 -2.038 1.00 . A A . 37 LYS HZ3 1 1 2 1115 1 1 37 LYS N N -4.928 -0.049 0.943 1.00 . A A . 37 LYS N 1 1 2 1116 1 1 37 LYS NZ N -5.155 -5.627 -2.445 1.00 . A A . 37 LYS NZ 1 1 2 1117 1 1 37 LYS O O -3.205 -1.172 -1.056 1.00 . A A . 37 LYS O 1 1 2 1118 1 1 38 CYS C C -0.956 -3.724 -0.749 1.00 . A A . 38 CYS C 1 1 2 1119 1 1 38 CYS CA C -0.912 -2.368 -0.055 1.00 . A A . 38 CYS CA 1 1 2 1120 1 1 38 CYS CB C 0.282 -2.319 0.898 1.00 . A A . 38 CYS CB 1 1 2 1121 1 1 38 CYS H H -2.195 -2.416 1.622 1.00 . A A . 38 CYS H 1 1 2 1122 1 1 38 CYS HA H -0.790 -1.594 -0.795 1.00 . A A . 38 CYS HA 1 1 2 1123 1 1 38 CYS HB2 H 0.154 -3.080 1.657 1.00 . A A . 38 CYS HB2 1 1 2 1124 1 1 38 CYS HB3 H 1.189 -2.525 0.346 1.00 . A A . 38 CYS HB3 1 1 2 1125 1 1 38 CYS N N -2.144 -2.131 0.678 1.00 . A A . 38 CYS N 1 1 2 1126 1 1 38 CYS O O -1.545 -4.676 -0.235 1.00 . A A . 38 CYS O 1 1 2 1127 1 1 38 CYS SG S 0.491 -0.729 1.763 1.00 . A A . 38 CYS SG 1 1 2 1128 1 1 39 TYR C C 0.796 -5.973 -2.082 1.00 . A A . 39 TYR C 1 1 2 1129 1 1 39 TYR CA C -0.274 -5.056 -2.667 1.00 . A A . 39 TYR CA 1 1 2 1130 1 1 39 TYR CB C 0.015 -4.791 -4.148 1.00 . A A . 39 TYR CB 1 1 2 1131 1 1 39 TYR CD1 C -2.174 -4.606 -5.394 1.00 . A A . 39 TYR CD1 1 1 2 1132 1 1 39 TYR CD2 C -0.937 -2.609 -5.001 1.00 . A A . 39 TYR CD2 1 1 2 1133 1 1 39 TYR CE1 C -3.150 -3.877 -6.051 1.00 . A A . 39 TYR CE1 1 1 2 1134 1 1 39 TYR CE2 C -1.906 -1.875 -5.657 1.00 . A A . 39 TYR CE2 1 1 2 1135 1 1 39 TYR CG C -1.053 -3.986 -4.858 1.00 . A A . 39 TYR CG 1 1 2 1136 1 1 39 TYR CZ C -3.011 -2.512 -6.178 1.00 . A A . 39 TYR CZ 1 1 2 1137 1 1 39 TYR H H 0.135 -3.014 -2.277 1.00 . A A . 39 TYR H 1 1 2 1138 1 1 39 TYR HA H -1.236 -5.550 -2.584 1.00 . A A . 39 TYR HA 1 1 2 1139 1 1 39 TYR HB2 H 0.945 -4.265 -4.241 1.00 . A A . 39 TYR HB2 1 1 2 1140 1 1 39 TYR HB3 H 0.107 -5.741 -4.662 1.00 . A A . 39 TYR HB3 1 1 2 1141 1 1 39 TYR HD1 H -2.284 -5.677 -5.294 1.00 . A A . 39 TYR HD1 1 1 2 1142 1 1 39 TYR HD2 H -0.085 -2.114 -4.599 1.00 . A A . 39 TYR HD2 1 1 2 1143 1 1 39 TYR HE1 H -4.016 -4.378 -6.459 1.00 . A A . 39 TYR HE1 1 1 2 1144 1 1 39 TYR HE2 H -1.796 -0.805 -5.757 1.00 . A A . 39 TYR HE2 1 1 2 1145 1 1 39 TYR HH H -4.809 -1.821 -6.347 1.00 . A A . 39 TYR HH 1 1 2 1146 1 1 39 TYR N N -0.326 -3.809 -1.917 1.00 . A A . 39 TYR N 1 1 2 1147 1 1 39 TYR O O 0.841 -7.171 -2.373 1.00 . A A . 39 TYR O 1 1 2 1148 1 1 39 TYR OH O -3.977 -1.781 -6.837 1.00 . A A . 39 TYR OH 1 1 2 1149 1 1 40 GLY C C 4.060 -5.561 -0.778 1.00 . A A . 40 GLY C 1 1 2 1150 1 1 40 GLY CA C 2.685 -6.162 -0.601 1.00 . A A . 40 GLY CA 1 1 2 1151 1 1 40 GLY H H 1.620 -4.432 -1.088 1.00 . A A . 40 GLY H 1 1 2 1152 1 1 40 GLY HA2 H 2.453 -6.180 0.454 1.00 . A A . 40 GLY HA2 1 1 2 1153 1 1 40 GLY HA3 H 2.696 -7.183 -0.967 1.00 . A A . 40 GLY HA3 1 1 2 1154 1 1 40 GLY N N 1.671 -5.392 -1.276 1.00 . A A . 40 GLY N 1 1 2 1155 1 1 40 GLY O O 4.218 -4.341 -0.755 1.00 . A A . 40 GLY O 1 1 2 1156 1 1 41 CYS C C 7.275 -7.177 -1.559 1.00 . A A . 41 CYS C 1 1 2 1157 1 1 41 CYS CA C 6.418 -5.982 -1.163 1.00 . A A . 41 CYS CA 1 1 2 1158 1 1 41 CYS CB C 6.972 -5.325 0.106 1.00 . A A . 41 CYS CB 1 1 2 1159 1 1 41 CYS H H 4.850 -7.386 -0.969 1.00 . A A . 41 CYS H 1 1 2 1160 1 1 41 CYS HA H 6.412 -5.277 -1.975 1.00 . A A . 41 CYS HA 1 1 2 1161 1 1 41 CYS HB2 H 6.287 -4.564 0.443 1.00 . A A . 41 CYS HB2 1 1 2 1162 1 1 41 CYS HB3 H 7.075 -6.071 0.882 1.00 . A A . 41 CYS HB3 1 1 2 1163 1 1 41 CYS N N 5.049 -6.418 -0.960 1.00 . A A . 41 CYS N 1 1 2 1164 1 1 41 CYS O O 7.711 -7.925 -0.661 1.00 . A A . 41 CYS O 1 1 2 1165 1 1 41 CYS OXT O 7.482 -7.385 -2.773 1.00 . A A . 41 CYS OXT 1 1 2 1166 1 1 41 CYS SG S 8.598 -4.526 -0.112 1.00 . A A . 41 CYS SG 1 1 3 1167 1 1 1 TRP C C 6.043 0.806 12.688 1.00 . A A . 1 TRP C 1 1 3 1168 1 1 1 TRP CA C 6.102 -0.367 13.657 1.00 . A A . 1 TRP CA 1 1 3 1169 1 1 1 TRP CB C 5.575 -1.639 12.980 1.00 . A A . 1 TRP CB 1 1 3 1170 1 1 1 TRP CD1 C 5.575 -1.875 10.427 1.00 . A A . 1 TRP CD1 1 1 3 1171 1 1 1 TRP CD2 C 7.570 -2.217 11.382 1.00 . A A . 1 TRP CD2 1 1 3 1172 1 1 1 TRP CE2 C 7.704 -2.381 9.991 1.00 . A A . 1 TRP CE2 1 1 3 1173 1 1 1 TRP CE3 C 8.698 -2.382 12.192 1.00 . A A . 1 TRP CE3 1 1 3 1174 1 1 1 TRP CG C 6.198 -1.901 11.643 1.00 . A A . 1 TRP CG 1 1 3 1175 1 1 1 TRP CH2 C 10.005 -2.850 10.209 1.00 . A A . 1 TRP CH2 1 1 3 1176 1 1 1 TRP CZ2 C 8.919 -2.695 9.393 1.00 . A A . 1 TRP CZ2 1 1 3 1177 1 1 1 TRP CZ3 C 9.903 -2.697 11.595 1.00 . A A . 1 TRP CZ3 1 1 3 1178 1 1 1 TRP H1 H 5.468 -0.856 15.546 1.00 . A A . 1 TRP H1 1 1 3 1179 1 1 1 TRP H2 H 4.311 0.010 14.623 1.00 . A A . 1 TRP H2 1 1 3 1180 1 1 1 TRP H3 H 5.674 0.820 15.283 1.00 . A A . 1 TRP H3 1 1 3 1181 1 1 1 TRP HA H 7.131 -0.523 13.947 1.00 . A A . 1 TRP HA 1 1 3 1182 1 1 1 TRP HB2 H 5.785 -2.487 13.616 1.00 . A A . 1 TRP HB2 1 1 3 1183 1 1 1 TRP HB3 H 4.505 -1.551 12.850 1.00 . A A . 1 TRP HB3 1 1 3 1184 1 1 1 TRP HD1 H 4.526 -1.660 10.286 1.00 . A A . 1 TRP HD1 1 1 3 1185 1 1 1 TRP HE1 H 6.265 -2.213 8.472 1.00 . A A . 1 TRP HE1 1 1 3 1186 1 1 1 TRP HE3 H 8.638 -2.268 13.264 1.00 . A A . 1 TRP HE3 1 1 3 1187 1 1 1 TRP HH2 H 10.968 -3.097 9.787 1.00 . A A . 1 TRP HH2 1 1 3 1188 1 1 1 TRP HZ2 H 9.016 -2.816 8.324 1.00 . A A . 1 TRP HZ2 1 1 3 1189 1 1 1 TRP HZ3 H 10.786 -2.829 12.203 1.00 . A A . 1 TRP HZ3 1 1 3 1190 1 1 1 TRP N N 5.319 -0.072 14.877 1.00 . A A . 1 TRP N 1 1 3 1191 1 1 1 TRP NE1 N 6.472 -2.166 9.429 1.00 . A A . 1 TRP NE1 1 1 3 1192 1 1 1 TRP O O 7.074 1.321 12.257 1.00 . A A . 1 TRP O 1 1 3 1193 1 1 2 CYS C C 4.633 3.666 12.116 1.00 . A A . 2 CYS C 1 1 3 1194 1 1 2 CYS CA C 4.661 2.319 11.405 1.00 . A A . 2 CYS CA 1 1 3 1195 1 1 2 CYS CB C 3.380 2.113 10.598 1.00 . A A . 2 CYS CB 1 1 3 1196 1 1 2 CYS H H 4.052 0.792 12.736 1.00 . A A . 2 CYS H 1 1 3 1197 1 1 2 CYS HA H 5.495 2.302 10.709 1.00 . A A . 2 CYS HA 1 1 3 1198 1 1 2 CYS HB2 H 3.234 2.953 9.933 1.00 . A A . 2 CYS HB2 1 1 3 1199 1 1 2 CYS HB3 H 3.482 1.213 10.008 1.00 . A A . 2 CYS HB3 1 1 3 1200 1 1 2 CYS N N 4.837 1.236 12.353 1.00 . A A . 2 CYS N 1 1 3 1201 1 1 2 CYS O O 3.857 3.879 13.046 1.00 . A A . 2 CYS O 1 1 3 1202 1 1 2 CYS SG S 1.875 1.938 11.610 1.00 . A A . 2 CYS SG 1 1 3 1203 1 1 3 SER C C 4.409 6.764 11.769 1.00 . A A . 3 SER C 1 1 3 1204 1 1 3 SER CA C 5.582 5.902 12.238 1.00 . A A . 3 SER CA 1 1 3 1205 1 1 3 SER CB C 6.912 6.547 11.831 1.00 . A A . 3 SER CB 1 1 3 1206 1 1 3 SER H H 6.104 4.325 10.930 1.00 . A A . 3 SER H 1 1 3 1207 1 1 3 SER HA H 5.550 5.826 13.318 1.00 . A A . 3 SER HA 1 1 3 1208 1 1 3 SER HB2 H 7.725 5.910 12.146 1.00 . A A . 3 SER HB2 1 1 3 1209 1 1 3 SER HB3 H 6.944 6.660 10.756 1.00 . A A . 3 SER HB3 1 1 3 1210 1 1 3 SER HG H 7.985 8.120 12.296 1.00 . A A . 3 SER HG 1 1 3 1211 1 1 3 SER N N 5.502 4.563 11.676 1.00 . A A . 3 SER N 1 1 3 1212 1 1 3 SER O O 4.181 7.853 12.290 1.00 . A A . 3 SER O 1 1 3 1213 1 1 3 SER OG O 7.082 7.822 12.429 1.00 . A A . 3 SER OG 1 1 3 1214 1 1 4 THR C C 1.212 6.364 10.639 1.00 . A A . 4 THR C 1 1 3 1215 1 1 4 THR CA C 2.539 7.015 10.248 1.00 . A A . 4 THR CA 1 1 3 1216 1 1 4 THR CB C 2.632 7.149 8.717 1.00 . A A . 4 THR CB 1 1 3 1217 1 1 4 THR CG2 C 3.668 8.194 8.329 1.00 . A A . 4 THR CG2 1 1 3 1218 1 1 4 THR H H 3.886 5.417 10.367 1.00 . A A . 4 THR H 1 1 3 1219 1 1 4 THR HA H 2.537 8.013 10.674 1.00 . A A . 4 THR HA 1 1 3 1220 1 1 4 THR HB H 1.676 7.467 8.316 1.00 . A A . 4 THR HB 1 1 3 1221 1 1 4 THR HG1 H 2.733 5.880 7.207 1.00 . A A . 4 THR HG1 1 1 3 1222 1 1 4 THR HG21 H 4.637 7.904 8.710 1.00 . A A . 4 THR HG21 1 1 3 1223 1 1 4 THR HG22 H 3.390 9.152 8.744 1.00 . A A . 4 THR HG22 1 1 3 1224 1 1 4 THR HG23 H 3.714 8.270 7.253 1.00 . A A . 4 THR HG23 1 1 3 1225 1 1 4 THR N N 3.674 6.279 10.777 1.00 . A A . 4 THR N 1 1 3 1226 1 1 4 THR O O 0.707 6.602 11.735 1.00 . A A . 4 THR O 1 1 3 1227 1 1 4 THR OG1 O 2.976 5.884 8.132 1.00 . A A . 4 THR OG1 1 1 3 1228 1 1 5 CYS C C -1.687 5.876 10.424 1.00 . A A . 5 CYS C 1 1 3 1229 1 1 5 CYS CA C -0.624 4.879 9.962 1.00 . A A . 5 CYS CA 1 1 3 1230 1 1 5 CYS CB C -0.497 3.724 10.962 1.00 . A A . 5 CYS CB 1 1 3 1231 1 1 5 CYS H H 1.128 5.349 8.899 1.00 . A A . 5 CYS H 1 1 3 1232 1 1 5 CYS HA H -0.941 4.481 9.008 1.00 . A A . 5 CYS HA 1 1 3 1233 1 1 5 CYS HB2 H 0.039 4.073 11.830 1.00 . A A . 5 CYS HB2 1 1 3 1234 1 1 5 CYS HB3 H -1.485 3.400 11.267 1.00 . A A . 5 CYS HB3 1 1 3 1235 1 1 5 CYS N N 0.674 5.529 9.748 1.00 . A A . 5 CYS N 1 1 3 1236 1 1 5 CYS O O -2.188 5.804 11.545 1.00 . A A . 5 CYS O 1 1 3 1237 1 1 5 CYS SG S 0.368 2.265 10.295 1.00 . A A . 5 CYS SG 1 1 3 1238 1 1 6 LEU C C -4.280 7.603 9.035 1.00 . A A . 6 LEU C 1 1 3 1239 1 1 6 LEU CA C -3.015 7.827 9.856 1.00 . A A . 6 LEU CA 1 1 3 1240 1 1 6 LEU CB C -2.439 9.219 9.577 1.00 . A A . 6 LEU CB 1 1 3 1241 1 1 6 LEU CD1 C -0.677 10.958 9.994 1.00 . A A . 6 LEU CD1 1 1 3 1242 1 1 6 LEU CD2 C -1.514 9.552 11.888 1.00 . A A . 6 LEU CD2 1 1 3 1243 1 1 6 LEU CG C -1.198 9.585 10.398 1.00 . A A . 6 LEU CG 1 1 3 1244 1 1 6 LEU H H -1.597 6.819 8.657 1.00 . A A . 6 LEU H 1 1 3 1245 1 1 6 LEU HA H -3.287 7.765 10.900 1.00 . A A . 6 LEU HA 1 1 3 1246 1 1 6 LEU HB2 H -2.178 9.274 8.532 1.00 . A A . 6 LEU HB2 1 1 3 1247 1 1 6 LEU HB3 H -3.195 9.963 9.778 1.00 . A A . 6 LEU HB3 1 1 3 1248 1 1 6 LEU HD11 H -0.433 10.957 8.941 1.00 . A A . 6 LEU HD11 1 1 3 1249 1 1 6 LEU HD12 H 0.212 11.191 10.564 1.00 . A A . 6 LEU HD12 1 1 3 1250 1 1 6 LEU HD13 H -1.433 11.707 10.187 1.00 . A A . 6 LEU HD13 1 1 3 1251 1 1 6 LEU HD21 H -1.770 8.546 12.184 1.00 . A A . 6 LEU HD21 1 1 3 1252 1 1 6 LEU HD22 H -2.343 10.212 12.101 1.00 . A A . 6 LEU HD22 1 1 3 1253 1 1 6 LEU HD23 H -0.648 9.875 12.451 1.00 . A A . 6 LEU HD23 1 1 3 1254 1 1 6 LEU HG H -0.419 8.862 10.204 1.00 . A A . 6 LEU HG 1 1 3 1255 1 1 6 LEU N N -2.026 6.807 9.545 1.00 . A A . 6 LEU N 1 1 3 1256 1 1 6 LEU O O -4.415 6.584 8.353 1.00 . A A . 6 LEU O 1 1 3 1257 1 1 7 ASP C C -6.314 8.884 6.920 1.00 . A A . 7 ASP C 1 1 3 1258 1 1 7 ASP CA C -6.463 8.468 8.387 1.00 . A A . 7 ASP CA 1 1 3 1259 1 1 7 ASP CB C -7.526 9.323 9.097 1.00 . A A . 7 ASP CB 1 1 3 1260 1 1 7 ASP CG C -7.153 10.793 9.188 1.00 . A A . 7 ASP CG 1 1 3 1261 1 1 7 ASP H H -5.026 9.351 9.649 1.00 . A A . 7 ASP H 1 1 3 1262 1 1 7 ASP HA H -6.789 7.434 8.413 1.00 . A A . 7 ASP HA 1 1 3 1263 1 1 7 ASP HB2 H -8.463 9.241 8.564 1.00 . A A . 7 ASP HB2 1 1 3 1264 1 1 7 ASP HB3 H -7.661 8.946 10.101 1.00 . A A . 7 ASP HB3 1 1 3 1265 1 1 7 ASP N N -5.192 8.562 9.091 1.00 . A A . 7 ASP N 1 1 3 1266 1 1 7 ASP O O -6.875 9.884 6.474 1.00 . A A . 7 ASP O 1 1 3 1267 1 1 7 ASP OD1 O -6.056 11.110 9.696 1.00 . A A . 7 ASP OD1 1 1 3 1268 1 1 7 ASP OD2 O -7.962 11.639 8.753 1.00 . A A . 7 ASP OD2 1 1 3 1269 1 1 8 LEU C C -6.435 7.690 3.897 1.00 . A A . 8 LEU C 1 1 3 1270 1 1 8 LEU CA C -5.357 8.364 4.740 1.00 . A A . 8 LEU CA 1 1 3 1271 1 1 8 LEU CB C -3.972 7.883 4.269 1.00 . A A . 8 LEU CB 1 1 3 1272 1 1 8 LEU CD1 C -2.999 10.067 5.078 1.00 . A A . 8 LEU CD1 1 1 3 1273 1 1 8 LEU CD2 C -2.351 7.916 6.198 1.00 . A A . 8 LEU CD2 1 1 3 1274 1 1 8 LEU CG C -2.749 8.578 4.888 1.00 . A A . 8 LEU CG 1 1 3 1275 1 1 8 LEU H H -5.157 7.287 6.552 1.00 . A A . 8 LEU H 1 1 3 1276 1 1 8 LEU HA H -5.433 9.430 4.572 1.00 . A A . 8 LEU HA 1 1 3 1277 1 1 8 LEU HB2 H -3.899 6.819 4.450 1.00 . A A . 8 LEU HB2 1 1 3 1278 1 1 8 LEU HB3 H -3.914 8.041 3.206 1.00 . A A . 8 LEU HB3 1 1 3 1279 1 1 8 LEU HD11 H -2.094 10.534 5.442 1.00 . A A . 8 LEU HD11 1 1 3 1280 1 1 8 LEU HD12 H -3.787 10.224 5.800 1.00 . A A . 8 LEU HD12 1 1 3 1281 1 1 8 LEU HD13 H -3.271 10.520 4.145 1.00 . A A . 8 LEU HD13 1 1 3 1282 1 1 8 LEU HD21 H -2.237 6.850 6.054 1.00 . A A . 8 LEU HD21 1 1 3 1283 1 1 8 LEU HD22 H -3.107 8.100 6.925 1.00 . A A . 8 LEU HD22 1 1 3 1284 1 1 8 LEU HD23 H -1.415 8.332 6.541 1.00 . A A . 8 LEU HD23 1 1 3 1285 1 1 8 LEU HG H -1.917 8.477 4.205 1.00 . A A . 8 LEU HG 1 1 3 1286 1 1 8 LEU N N -5.567 8.091 6.162 1.00 . A A . 8 LEU N 1 1 3 1287 1 1 8 LEU O O -6.189 7.321 2.747 1.00 . A A . 8 LEU O 1 1 3 1288 1 1 9 ALA C C -9.064 7.419 2.459 1.00 . A A . 9 ALA C 1 1 3 1289 1 1 9 ALA CA C -8.752 6.864 3.848 1.00 . A A . 9 ALA CA 1 1 3 1290 1 1 9 ALA CB C -9.987 6.940 4.737 1.00 . A A . 9 ALA CB 1 1 3 1291 1 1 9 ALA H H -7.772 7.909 5.374 1.00 . A A . 9 ALA H 1 1 3 1292 1 1 9 ALA HA H -8.475 5.822 3.757 1.00 . A A . 9 ALA HA 1 1 3 1293 1 1 9 ALA HB1 H -10.302 7.969 4.835 1.00 . A A . 9 ALA HB1 1 1 3 1294 1 1 9 ALA HB2 H -9.749 6.544 5.713 1.00 . A A . 9 ALA HB2 1 1 3 1295 1 1 9 ALA HB3 H -10.787 6.358 4.300 1.00 . A A . 9 ALA HB3 1 1 3 1296 1 1 9 ALA N N -7.632 7.569 4.475 1.00 . A A . 9 ALA N 1 1 3 1297 1 1 9 ALA O O -9.913 8.295 2.300 1.00 . A A . 9 ALA O 1 1 3 1298 1 1 10 CYS C C -8.203 8.823 -0.046 1.00 . A A . 10 CYS C 1 1 3 1299 1 1 10 CYS CA C -8.465 7.334 0.085 1.00 . A A . 10 CYS CA 1 1 3 1300 1 1 10 CYS CB C -9.825 6.957 -0.507 1.00 . A A . 10 CYS CB 1 1 3 1301 1 1 10 CYS H H -7.666 6.222 1.682 1.00 . A A . 10 CYS H 1 1 3 1302 1 1 10 CYS HA H -7.680 6.863 -0.474 1.00 . A A . 10 CYS HA 1 1 3 1303 1 1 10 CYS HB2 H -10.593 7.069 0.242 1.00 . A A . 10 CYS HB2 1 1 3 1304 1 1 10 CYS HB3 H -10.059 7.597 -1.348 1.00 . A A . 10 CYS HB3 1 1 3 1305 1 1 10 CYS N N -8.342 6.903 1.470 1.00 . A A . 10 CYS N 1 1 3 1306 1 1 10 CYS O O -8.934 9.542 -0.728 1.00 . A A . 10 CYS O 1 1 3 1307 1 1 10 CYS SG S -9.897 5.241 -1.118 1.00 . A A . 10 CYS SG 1 1 3 1308 1 1 11 THR C C -5.956 10.835 -0.840 1.00 . A A . 11 THR C 1 1 3 1309 1 1 11 THR CA C -6.720 10.669 0.472 1.00 . A A . 11 THR CA 1 1 3 1310 1 1 11 THR CB C -5.833 11.109 1.664 1.00 . A A . 11 THR CB 1 1 3 1311 1 1 11 THR CG2 C -4.515 10.350 1.671 1.00 . A A . 11 THR CG2 1 1 3 1312 1 1 11 THR H H -6.583 8.661 1.129 1.00 . A A . 11 THR H 1 1 3 1313 1 1 11 THR HA H -7.602 11.299 0.443 1.00 . A A . 11 THR HA 1 1 3 1314 1 1 11 THR HB H -6.350 10.894 2.588 1.00 . A A . 11 THR HB 1 1 3 1315 1 1 11 THR HG1 H -5.036 12.743 0.835 1.00 . A A . 11 THR HG1 1 1 3 1316 1 1 11 THR HG21 H -4.582 9.445 1.082 1.00 . A A . 11 THR HG21 1 1 3 1317 1 1 11 THR HG22 H -4.277 10.089 2.674 1.00 . A A . 11 THR HG22 1 1 3 1318 1 1 11 THR HG23 H -3.738 10.978 1.270 1.00 . A A . 11 THR HG23 1 1 3 1319 1 1 11 THR N N -7.140 9.283 0.607 1.00 . A A . 11 THR N 1 1 3 1320 1 1 11 THR O O -5.755 11.947 -1.334 1.00 . A A . 11 THR O 1 1 3 1321 1 1 11 THR OG1 O -5.573 12.517 1.605 1.00 . A A . 11 THR OG1 1 1 3 1322 1 1 12 GLY C C -3.850 8.560 -2.711 1.00 . A A . 12 GLY C 1 1 3 1323 1 1 12 GLY CA C -4.844 9.695 -2.659 1.00 . A A . 12 GLY CA 1 1 3 1324 1 1 12 GLY H H -5.754 8.841 -0.984 1.00 . A A . 12 GLY H 1 1 3 1325 1 1 12 GLY HA2 H -5.556 9.589 -3.465 1.00 . A A . 12 GLY HA2 1 1 3 1326 1 1 12 GLY HA3 H -4.306 10.627 -2.788 1.00 . A A . 12 GLY HA3 1 1 3 1327 1 1 12 GLY N N -5.561 9.703 -1.407 1.00 . A A . 12 GLY N 1 1 3 1328 1 1 12 GLY O O -3.135 8.316 -1.741 1.00 . A A . 12 GLY O 1 1 3 1329 1 1 13 SER C C -1.445 7.209 -3.899 1.00 . A A . 13 SER C 1 1 3 1330 1 1 13 SER CA C -2.893 6.734 -3.976 1.00 . A A . 13 SER CA 1 1 3 1331 1 1 13 SER CB C -3.152 6.001 -5.292 1.00 . A A . 13 SER CB 1 1 3 1332 1 1 13 SER H H -4.414 8.083 -4.572 1.00 . A A . 13 SER H 1 1 3 1333 1 1 13 SER HA H -3.071 6.045 -3.159 1.00 . A A . 13 SER HA 1 1 3 1334 1 1 13 SER HB2 H -3.021 6.686 -6.117 1.00 . A A . 13 SER HB2 1 1 3 1335 1 1 13 SER HB3 H -2.458 5.177 -5.392 1.00 . A A . 13 SER HB3 1 1 3 1336 1 1 13 SER HG H -4.615 5.027 -6.162 1.00 . A A . 13 SER HG 1 1 3 1337 1 1 13 SER N N -3.809 7.851 -3.827 1.00 . A A . 13 SER N 1 1 3 1338 1 1 13 SER O O -0.629 6.612 -3.197 1.00 . A A . 13 SER O 1 1 3 1339 1 1 13 SER OG O -4.474 5.487 -5.331 1.00 . A A . 13 SER OG 1 1 3 1340 1 1 14 LYS C C 0.613 9.323 -3.191 1.00 . A A . 14 LYS C 1 1 3 1341 1 1 14 LYS CA C 0.219 8.847 -4.587 1.00 . A A . 14 LYS CA 1 1 3 1342 1 1 14 LYS CB C 0.362 9.984 -5.605 1.00 . A A . 14 LYS CB 1 1 3 1343 1 1 14 LYS CD C -0.236 12.327 -6.300 1.00 . A A . 14 LYS CD 1 1 3 1344 1 1 14 LYS CE C -0.928 11.938 -7.594 1.00 . A A . 14 LYS CE 1 1 3 1345 1 1 14 LYS CG C -0.392 11.252 -5.236 1.00 . A A . 14 LYS CG 1 1 3 1346 1 1 14 LYS H H -1.839 8.774 -5.103 1.00 . A A . 14 LYS H 1 1 3 1347 1 1 14 LYS HA H 0.872 8.070 -4.863 1.00 . A A . 14 LYS HA 1 1 3 1348 1 1 14 LYS HB2 H 1.411 10.228 -5.703 1.00 . A A . 14 LYS HB2 1 1 3 1349 1 1 14 LYS HB3 H -0.003 9.624 -6.552 1.00 . A A . 14 LYS HB3 1 1 3 1350 1 1 14 LYS HD2 H -0.676 13.243 -5.934 1.00 . A A . 14 LYS HD2 1 1 3 1351 1 1 14 LYS HD3 H 0.816 12.488 -6.496 1.00 . A A . 14 LYS HD3 1 1 3 1352 1 1 14 LYS HE2 H -0.521 11.008 -7.956 1.00 . A A . 14 LYS HE2 1 1 3 1353 1 1 14 LYS HE3 H -1.985 11.819 -7.404 1.00 . A A . 14 LYS HE3 1 1 3 1354 1 1 14 LYS HG2 H -1.440 11.018 -5.116 1.00 . A A . 14 LYS HG2 1 1 3 1355 1 1 14 LYS HG3 H -0.004 11.637 -4.305 1.00 . A A . 14 LYS HG3 1 1 3 1356 1 1 14 LYS HZ1 H -1.141 13.877 -8.344 1.00 . A A . 14 LYS HZ1 1 1 3 1357 1 1 14 LYS HZ2 H -1.229 12.667 -9.521 1.00 . A A . 14 LYS HZ2 1 1 3 1358 1 1 14 LYS HZ3 H 0.268 13.091 -8.861 1.00 . A A . 14 LYS HZ3 1 1 3 1359 1 1 14 LYS N N -1.139 8.312 -4.582 1.00 . A A . 14 LYS N 1 1 3 1360 1 1 14 LYS NZ N -0.744 12.964 -8.651 1.00 . A A . 14 LYS NZ 1 1 3 1361 1 1 14 LYS O O 1.797 9.435 -2.871 1.00 . A A . 14 LYS O 1 1 3 1362 1 1 15 ASP C C 0.117 8.703 -0.167 1.00 . A A . 15 ASP C 1 1 3 1363 1 1 15 ASP CA C -0.169 9.961 -0.978 1.00 . A A . 15 ASP CA 1 1 3 1364 1 1 15 ASP CB C -1.400 10.673 -0.408 1.00 . A A . 15 ASP CB 1 1 3 1365 1 1 15 ASP CG C -1.111 11.410 0.888 1.00 . A A . 15 ASP CG 1 1 3 1366 1 1 15 ASP H H -1.315 9.497 -2.672 1.00 . A A . 15 ASP H 1 1 3 1367 1 1 15 ASP HA H 0.690 10.623 -0.925 1.00 . A A . 15 ASP HA 1 1 3 1368 1 1 15 ASP HB2 H -1.753 11.394 -1.132 1.00 . A A . 15 ASP HB2 1 1 3 1369 1 1 15 ASP HB3 H -2.186 9.955 -0.221 1.00 . A A . 15 ASP HB3 1 1 3 1370 1 1 15 ASP N N -0.392 9.592 -2.368 1.00 . A A . 15 ASP N 1 1 3 1371 1 1 15 ASP O O 1.140 8.602 0.512 1.00 . A A . 15 ASP O 1 1 3 1372 1 1 15 ASP OD1 O -0.895 10.755 1.928 1.00 . A A . 15 ASP OD1 1 1 3 1373 1 1 15 ASP OD2 O -1.120 12.657 0.874 1.00 . A A . 15 ASP OD2 1 1 3 1374 1 1 16 CYS C C 0.549 5.658 0.083 1.00 . A A . 16 CYS C 1 1 3 1375 1 1 16 CYS CA C -0.686 6.475 0.461 1.00 . A A . 16 CYS CA 1 1 3 1376 1 1 16 CYS CB C -1.951 5.639 0.257 1.00 . A A . 16 CYS CB 1 1 3 1377 1 1 16 CYS H H -1.557 7.865 -0.880 1.00 . A A . 16 CYS H 1 1 3 1378 1 1 16 CYS HA H -0.613 6.727 1.511 1.00 . A A . 16 CYS HA 1 1 3 1379 1 1 16 CYS HB2 H -2.100 5.468 -0.799 1.00 . A A . 16 CYS HB2 1 1 3 1380 1 1 16 CYS HB3 H -1.826 4.693 0.759 1.00 . A A . 16 CYS HB3 1 1 3 1381 1 1 16 CYS N N -0.779 7.727 -0.289 1.00 . A A . 16 CYS N 1 1 3 1382 1 1 16 CYS O O 0.939 4.749 0.823 1.00 . A A . 16 CYS O 1 1 3 1383 1 1 16 CYS SG S -3.459 6.423 0.917 1.00 . A A . 16 CYS SG 1 1 3 1384 1 1 17 TYR C C 3.468 5.452 -0.356 1.00 . A A . 17 TYR C 1 1 3 1385 1 1 17 TYR CA C 2.415 5.334 -1.462 1.00 . A A . 17 TYR CA 1 1 3 1386 1 1 17 TYR CB C 2.971 5.963 -2.746 1.00 . A A . 17 TYR CB 1 1 3 1387 1 1 17 TYR CD1 C 1.348 4.532 -4.074 1.00 . A A . 17 TYR CD1 1 1 3 1388 1 1 17 TYR CD2 C 2.364 6.392 -5.160 1.00 . A A . 17 TYR CD2 1 1 3 1389 1 1 17 TYR CE1 C 0.667 4.221 -5.236 1.00 . A A . 17 TYR CE1 1 1 3 1390 1 1 17 TYR CE2 C 1.687 6.087 -6.325 1.00 . A A . 17 TYR CE2 1 1 3 1391 1 1 17 TYR CG C 2.211 5.620 -4.015 1.00 . A A . 17 TYR CG 1 1 3 1392 1 1 17 TYR CZ C 0.837 5.005 -6.357 1.00 . A A . 17 TYR CZ 1 1 3 1393 1 1 17 TYR H H 0.804 6.689 -1.629 1.00 . A A . 17 TYR H 1 1 3 1394 1 1 17 TYR HA H 2.228 4.286 -1.618 1.00 . A A . 17 TYR HA 1 1 3 1395 1 1 17 TYR HB2 H 2.958 7.037 -2.634 1.00 . A A . 17 TYR HB2 1 1 3 1396 1 1 17 TYR HB3 H 3.997 5.640 -2.889 1.00 . A A . 17 TYR HB3 1 1 3 1397 1 1 17 TYR HD1 H 1.203 3.907 -3.212 1.00 . A A . 17 TYR HD1 1 1 3 1398 1 1 17 TYR HD2 H 3.030 7.244 -5.138 1.00 . A A . 17 TYR HD2 1 1 3 1399 1 1 17 TYR HE1 H 0.007 3.377 -5.264 1.00 . A A . 17 TYR HE1 1 1 3 1400 1 1 17 TYR HE2 H 1.821 6.701 -7.203 1.00 . A A . 17 TYR HE2 1 1 3 1401 1 1 17 TYR HH H -0.655 5.194 -7.558 1.00 . A A . 17 TYR HH 1 1 3 1402 1 1 17 TYR N N 1.159 5.973 -1.062 1.00 . A A . 17 TYR N 1 1 3 1403 1 1 17 TYR O O 4.189 4.495 -0.069 1.00 . A A . 17 TYR O 1 1 3 1404 1 1 17 TYR OH O 0.166 4.698 -7.521 1.00 . A A . 17 TYR OH 1 1 3 1405 1 1 18 ALA C C 4.329 6.032 2.550 1.00 . A A . 18 ALA C 1 1 3 1406 1 1 18 ALA CA C 4.542 6.891 1.293 1.00 . A A . 18 ALA CA 1 1 3 1407 1 1 18 ALA CB C 4.587 8.374 1.637 1.00 . A A . 18 ALA CB 1 1 3 1408 1 1 18 ALA H H 2.920 7.348 0.005 1.00 . A A . 18 ALA H 1 1 3 1409 1 1 18 ALA HA H 5.508 6.632 0.873 1.00 . A A . 18 ALA HA 1 1 3 1410 1 1 18 ALA HB1 H 4.791 8.516 2.691 1.00 . A A . 18 ALA HB1 1 1 3 1411 1 1 18 ALA HB2 H 3.646 8.844 1.391 1.00 . A A . 18 ALA HB2 1 1 3 1412 1 1 18 ALA HB3 H 5.372 8.842 1.062 1.00 . A A . 18 ALA HB3 1 1 3 1413 1 1 18 ALA N N 3.533 6.623 0.270 1.00 . A A . 18 ALA N 1 1 3 1414 1 1 18 ALA O O 5.238 5.302 2.952 1.00 . A A . 18 ALA O 1 1 3 1415 1 1 19 PRO C C 3.014 3.759 4.035 1.00 . A A . 19 PRO C 1 1 3 1416 1 1 19 PRO CA C 2.846 5.238 4.359 1.00 . A A . 19 PRO CA 1 1 3 1417 1 1 19 PRO CB C 1.383 5.547 4.686 1.00 . A A . 19 PRO CB 1 1 3 1418 1 1 19 PRO CD C 2.014 6.999 2.908 1.00 . A A . 19 PRO CD 1 1 3 1419 1 1 19 PRO CG C 1.154 6.907 4.134 1.00 . A A . 19 PRO CG 1 1 3 1420 1 1 19 PRO HA H 3.470 5.491 5.202 1.00 . A A . 19 PRO HA 1 1 3 1421 1 1 19 PRO HB2 H 0.725 4.825 4.217 1.00 . A A . 19 PRO HB2 1 1 3 1422 1 1 19 PRO HB3 H 1.235 5.529 5.753 1.00 . A A . 19 PRO HB3 1 1 3 1423 1 1 19 PRO HD2 H 1.481 6.688 2.056 1.00 . A A . 19 PRO HD2 1 1 3 1424 1 1 19 PRO HD3 H 2.350 8.008 2.792 1.00 . A A . 19 PRO HD3 1 1 3 1425 1 1 19 PRO HG2 H 0.113 7.028 3.873 1.00 . A A . 19 PRO HG2 1 1 3 1426 1 1 19 PRO HG3 H 1.450 7.653 4.857 1.00 . A A . 19 PRO HG3 1 1 3 1427 1 1 19 PRO N N 3.139 6.091 3.204 1.00 . A A . 19 PRO N 1 1 3 1428 1 1 19 PRO O O 3.503 2.987 4.859 1.00 . A A . 19 PRO O 1 1 3 1429 1 1 20 CYS C C 4.220 1.581 2.344 1.00 . A A . 20 CYS C 1 1 3 1430 1 1 20 CYS CA C 2.751 1.990 2.394 1.00 . A A . 20 CYS CA 1 1 3 1431 1 1 20 CYS CB C 2.102 1.792 1.025 1.00 . A A . 20 CYS CB 1 1 3 1432 1 1 20 CYS H H 2.246 4.035 2.200 1.00 . A A . 20 CYS H 1 1 3 1433 1 1 20 CYS HA H 2.241 1.364 3.116 1.00 . A A . 20 CYS HA 1 1 3 1434 1 1 20 CYS HB2 H 1.080 2.138 1.070 1.00 . A A . 20 CYS HB2 1 1 3 1435 1 1 20 CYS HB3 H 2.638 2.371 0.286 1.00 . A A . 20 CYS HB3 1 1 3 1436 1 1 20 CYS N N 2.623 3.373 2.826 1.00 . A A . 20 CYS N 1 1 3 1437 1 1 20 CYS O O 4.584 0.479 2.765 1.00 . A A . 20 CYS O 1 1 3 1438 1 1 20 CYS SG S 2.069 0.062 0.460 1.00 . A A . 20 CYS SG 1 1 3 1439 1 1 21 ARG C C 7.036 2.093 3.230 1.00 . A A . 21 ARG C 1 1 3 1440 1 1 21 ARG CA C 6.501 2.236 1.809 1.00 . A A . 21 ARG CA 1 1 3 1441 1 1 21 ARG CB C 7.230 3.377 1.095 1.00 . A A . 21 ARG CB 1 1 3 1442 1 1 21 ARG CD C 9.449 4.350 0.414 1.00 . A A . 21 ARG CD 1 1 3 1443 1 1 21 ARG CG C 8.713 3.113 0.902 1.00 . A A . 21 ARG CG 1 1 3 1444 1 1 21 ARG CZ C 9.533 4.847 -2.002 1.00 . A A . 21 ARG CZ 1 1 3 1445 1 1 21 ARG H H 4.722 3.348 1.525 1.00 . A A . 21 ARG H 1 1 3 1446 1 1 21 ARG HA H 6.677 1.312 1.272 1.00 . A A . 21 ARG HA 1 1 3 1447 1 1 21 ARG HB2 H 6.782 3.518 0.130 1.00 . A A . 21 ARG HB2 1 1 3 1448 1 1 21 ARG HB3 H 7.111 4.286 1.672 1.00 . A A . 21 ARG HB3 1 1 3 1449 1 1 21 ARG HD2 H 9.351 5.114 1.176 1.00 . A A . 21 ARG HD2 1 1 3 1450 1 1 21 ARG HD3 H 10.489 4.109 0.306 1.00 . A A . 21 ARG HD3 1 1 3 1451 1 1 21 ARG HE H 8.009 5.298 -0.785 1.00 . A A . 21 ARG HE 1 1 3 1452 1 1 21 ARG HG2 H 9.155 2.806 1.838 1.00 . A A . 21 ARG HG2 1 1 3 1453 1 1 21 ARG HG3 H 8.834 2.327 0.172 1.00 . A A . 21 ARG HG3 1 1 3 1454 1 1 21 ARG HH11 H 11.157 3.823 -1.322 1.00 . A A . 21 ARG HH11 1 1 3 1455 1 1 21 ARG HH12 H 11.188 4.243 -2.986 1.00 . A A . 21 ARG HH12 1 1 3 1456 1 1 21 ARG HH21 H 8.084 5.850 -2.995 1.00 . A A . 21 ARG HH21 1 1 3 1457 1 1 21 ARG HH22 H 9.453 5.386 -3.950 1.00 . A A . 21 ARG HH22 1 1 3 1458 1 1 21 ARG N N 5.065 2.479 1.841 1.00 . A A . 21 ARG N 1 1 3 1459 1 1 21 ARG NE N 8.896 4.878 -0.832 1.00 . A A . 21 ARG NE 1 1 3 1460 1 1 21 ARG NH1 N 10.718 4.256 -2.101 1.00 . A A . 21 ARG NH1 1 1 3 1461 1 1 21 ARG NH2 N 8.979 5.405 -3.067 1.00 . A A . 21 ARG NH2 1 1 3 1462 1 1 21 ARG O O 7.871 1.235 3.508 1.00 . A A . 21 ARG O 1 1 3 1463 1 1 22 LYS C C 6.545 1.557 6.164 1.00 . A A . 22 LYS C 1 1 3 1464 1 1 22 LYS CA C 6.926 2.893 5.529 1.00 . A A . 22 LYS CA 1 1 3 1465 1 1 22 LYS CB C 6.255 4.037 6.300 1.00 . A A . 22 LYS CB 1 1 3 1466 1 1 22 LYS CD C 8.291 4.540 7.679 1.00 . A A . 22 LYS CD 1 1 3 1467 1 1 22 LYS CE C 9.064 5.627 8.408 1.00 . A A . 22 LYS CE 1 1 3 1468 1 1 22 LYS CG C 7.214 5.116 6.775 1.00 . A A . 22 LYS CG 1 1 3 1469 1 1 22 LYS H H 5.869 3.603 3.837 1.00 . A A . 22 LYS H 1 1 3 1470 1 1 22 LYS HA H 7.998 2.994 5.568 1.00 . A A . 22 LYS HA 1 1 3 1471 1 1 22 LYS HB2 H 5.517 4.514 5.672 1.00 . A A . 22 LYS HB2 1 1 3 1472 1 1 22 LYS HB3 H 5.748 3.645 7.174 1.00 . A A . 22 LYS HB3 1 1 3 1473 1 1 22 LYS HD2 H 7.834 3.895 8.417 1.00 . A A . 22 LYS HD2 1 1 3 1474 1 1 22 LYS HD3 H 8.984 3.969 7.082 1.00 . A A . 22 LYS HD3 1 1 3 1475 1 1 22 LYS HE2 H 8.384 6.162 9.054 1.00 . A A . 22 LYS HE2 1 1 3 1476 1 1 22 LYS HE3 H 9.832 5.160 9.008 1.00 . A A . 22 LYS HE3 1 1 3 1477 1 1 22 LYS HG2 H 7.684 5.570 5.915 1.00 . A A . 22 LYS HG2 1 1 3 1478 1 1 22 LYS HG3 H 6.650 5.863 7.318 1.00 . A A . 22 LYS HG3 1 1 3 1479 1 1 22 LYS HZ1 H 8.978 7.164 6.995 1.00 . A A . 22 LYS HZ1 1 1 3 1480 1 1 22 LYS HZ2 H 10.271 6.096 6.762 1.00 . A A . 22 LYS HZ2 1 1 3 1481 1 1 22 LYS HZ3 H 10.327 7.235 8.009 1.00 . A A . 22 LYS HZ3 1 1 3 1482 1 1 22 LYS N N 6.538 2.938 4.124 1.00 . A A . 22 LYS N 1 1 3 1483 1 1 22 LYS NZ N 9.702 6.595 7.478 1.00 . A A . 22 LYS NZ 1 1 3 1484 1 1 22 LYS O O 7.295 1.001 6.967 1.00 . A A . 22 LYS O 1 1 3 1485 1 1 23 GLN C C 5.538 -1.423 5.822 1.00 . A A . 23 GLN C 1 1 3 1486 1 1 23 GLN CA C 4.853 -0.178 6.380 1.00 . A A . 23 GLN CA 1 1 3 1487 1 1 23 GLN CB C 3.342 -0.263 6.143 1.00 . A A . 23 GLN CB 1 1 3 1488 1 1 23 GLN CD C 1.115 0.900 6.404 1.00 . A A . 23 GLN CD 1 1 3 1489 1 1 23 GLN CG C 2.560 0.826 6.854 1.00 . A A . 23 GLN CG 1 1 3 1490 1 1 23 GLN H H 4.822 1.535 5.142 1.00 . A A . 23 GLN H 1 1 3 1491 1 1 23 GLN HA H 5.030 -0.145 7.449 1.00 . A A . 23 GLN HA 1 1 3 1492 1 1 23 GLN HB2 H 3.157 -0.186 5.080 1.00 . A A . 23 GLN HB2 1 1 3 1493 1 1 23 GLN HB3 H 2.977 -1.220 6.495 1.00 . A A . 23 GLN HB3 1 1 3 1494 1 1 23 GLN HE21 H 0.561 1.533 8.173 1.00 . A A . 23 GLN HE21 1 1 3 1495 1 1 23 GLN HE22 H -0.701 1.369 7.040 1.00 . A A . 23 GLN HE22 1 1 3 1496 1 1 23 GLN HG2 H 2.579 0.615 7.914 1.00 . A A . 23 GLN HG2 1 1 3 1497 1 1 23 GLN HG3 H 3.027 1.778 6.680 1.00 . A A . 23 GLN HG3 1 1 3 1498 1 1 23 GLN N N 5.380 1.047 5.793 1.00 . A A . 23 GLN N 1 1 3 1499 1 1 23 GLN NE2 N 0.241 1.310 7.303 1.00 . A A . 23 GLN NE2 1 1 3 1500 1 1 23 GLN O O 6.084 -2.228 6.579 1.00 . A A . 23 GLN O 1 1 3 1501 1 1 23 GLN OE1 O 0.784 0.587 5.260 1.00 . A A . 23 GLN OE1 1 1 3 1502 1 1 24 THR C C 7.416 -2.680 3.347 1.00 . A A . 24 THR C 1 1 3 1503 1 1 24 THR CA C 5.995 -2.814 3.887 1.00 . A A . 24 THR CA 1 1 3 1504 1 1 24 THR CB C 5.071 -3.246 2.732 1.00 . A A . 24 THR CB 1 1 3 1505 1 1 24 THR CG2 C 3.645 -3.456 3.225 1.00 . A A . 24 THR CG2 1 1 3 1506 1 1 24 THR H H 5.077 -0.903 3.941 1.00 . A A . 24 THR H 1 1 3 1507 1 1 24 THR HA H 5.993 -3.605 4.629 1.00 . A A . 24 THR HA 1 1 3 1508 1 1 24 THR HB H 5.424 -4.182 2.315 1.00 . A A . 24 THR HB 1 1 3 1509 1 1 24 THR HG1 H 4.842 -2.649 0.861 1.00 . A A . 24 THR HG1 1 1 3 1510 1 1 24 THR HG21 H 3.261 -2.530 3.628 1.00 . A A . 24 THR HG21 1 1 3 1511 1 1 24 THR HG22 H 3.635 -4.216 3.993 1.00 . A A . 24 THR HG22 1 1 3 1512 1 1 24 THR HG23 H 3.024 -3.773 2.400 1.00 . A A . 24 THR HG23 1 1 3 1513 1 1 24 THR N N 5.518 -1.581 4.506 1.00 . A A . 24 THR N 1 1 3 1514 1 1 24 THR O O 8.164 -3.658 3.294 1.00 . A A . 24 THR O 1 1 3 1515 1 1 24 THR OG1 O 5.079 -2.248 1.701 1.00 . A A . 24 THR OG1 1 1 3 1516 1 1 25 GLY C C 8.845 -0.965 0.805 1.00 . A A . 25 GLY C 1 1 3 1517 1 1 25 GLY CA C 9.053 -1.277 2.274 1.00 . A A . 25 GLY CA 1 1 3 1518 1 1 25 GLY H H 7.168 -0.715 3.010 1.00 . A A . 25 GLY H 1 1 3 1519 1 1 25 GLY HA2 H 9.563 -0.443 2.733 1.00 . A A . 25 GLY HA2 1 1 3 1520 1 1 25 GLY HA3 H 9.682 -2.154 2.359 1.00 . A A . 25 GLY HA3 1 1 3 1521 1 1 25 GLY N N 7.790 -1.472 2.952 1.00 . A A . 25 GLY N 1 1 3 1522 1 1 25 GLY O O 9.722 -0.411 0.146 1.00 . A A . 25 GLY O 1 1 3 1523 1 1 26 CYS C C 6.133 -0.121 -1.186 1.00 . A A . 26 CYS C 1 1 3 1524 1 1 26 CYS CA C 7.328 -1.065 -1.096 1.00 . A A . 26 CYS CA 1 1 3 1525 1 1 26 CYS CB C 7.027 -2.386 -1.811 1.00 . A A . 26 CYS CB 1 1 3 1526 1 1 26 CYS H H 6.991 -1.743 0.858 1.00 . A A . 26 CYS H 1 1 3 1527 1 1 26 CYS HA H 8.181 -0.613 -1.575 1.00 . A A . 26 CYS HA 1 1 3 1528 1 1 26 CYS HB2 H 6.310 -2.941 -1.245 1.00 . A A . 26 CYS HB2 1 1 3 1529 1 1 26 CYS HB3 H 6.604 -2.170 -2.785 1.00 . A A . 26 CYS HB3 1 1 3 1530 1 1 26 CYS N N 7.668 -1.310 0.298 1.00 . A A . 26 CYS N 1 1 3 1531 1 1 26 CYS O O 5.103 -0.347 -0.555 1.00 . A A . 26 CYS O 1 1 3 1532 1 1 26 CYS SG S 8.496 -3.435 -2.092 1.00 . A A . 26 CYS SG 1 1 3 1533 1 1 27 PRO C C 4.082 1.651 -3.001 1.00 . A A . 27 PRO C 1 1 3 1534 1 1 27 PRO CA C 5.238 2.003 -2.068 1.00 . A A . 27 PRO CA 1 1 3 1535 1 1 27 PRO CB C 6.033 3.174 -2.638 1.00 . A A . 27 PRO CB 1 1 3 1536 1 1 27 PRO CD C 7.423 1.248 -2.838 1.00 . A A . 27 PRO CD 1 1 3 1537 1 1 27 PRO CG C 7.030 2.525 -3.528 1.00 . A A . 27 PRO CG 1 1 3 1538 1 1 27 PRO HA H 4.848 2.274 -1.097 1.00 . A A . 27 PRO HA 1 1 3 1539 1 1 27 PRO HB2 H 5.391 3.853 -3.185 1.00 . A A . 27 PRO HB2 1 1 3 1540 1 1 27 PRO HB3 H 6.518 3.707 -1.842 1.00 . A A . 27 PRO HB3 1 1 3 1541 1 1 27 PRO HD2 H 7.578 0.460 -3.560 1.00 . A A . 27 PRO HD2 1 1 3 1542 1 1 27 PRO HD3 H 8.313 1.404 -2.247 1.00 . A A . 27 PRO HD3 1 1 3 1543 1 1 27 PRO HG2 H 6.582 2.311 -4.487 1.00 . A A . 27 PRO HG2 1 1 3 1544 1 1 27 PRO HG3 H 7.889 3.164 -3.649 1.00 . A A . 27 PRO HG3 1 1 3 1545 1 1 27 PRO N N 6.261 0.955 -1.975 1.00 . A A . 27 PRO N 1 1 3 1546 1 1 27 PRO O O 3.392 2.532 -3.501 1.00 . A A . 27 PRO O 1 1 3 1547 1 1 28 ASN C C 1.504 -0.261 -3.364 1.00 . A A . 28 ASN C 1 1 3 1548 1 1 28 ASN CA C 2.802 -0.055 -4.136 1.00 . A A . 28 ASN CA 1 1 3 1549 1 1 28 ASN CB C 3.188 -1.334 -4.882 1.00 . A A . 28 ASN CB 1 1 3 1550 1 1 28 ASN CG C 4.405 -1.146 -5.772 1.00 . A A . 28 ASN CG 1 1 3 1551 1 1 28 ASN H H 4.426 -0.315 -2.834 1.00 . A A . 28 ASN H 1 1 3 1552 1 1 28 ASN HA H 2.639 0.725 -4.877 1.00 . A A . 28 ASN HA 1 1 3 1553 1 1 28 ASN HB2 H 3.405 -2.109 -4.161 1.00 . A A . 28 ASN HB2 1 1 3 1554 1 1 28 ASN HB3 H 2.361 -1.650 -5.504 1.00 . A A . 28 ASN HB3 1 1 3 1555 1 1 28 ASN HD21 H 4.901 -3.070 -5.570 1.00 . A A . 28 ASN HD21 1 1 3 1556 1 1 28 ASN HD22 H 5.944 -2.111 -6.558 1.00 . A A . 28 ASN HD22 1 1 3 1557 1 1 28 ASN N N 3.870 0.371 -3.241 1.00 . A A . 28 ASN N 1 1 3 1558 1 1 28 ASN ND2 N 5.155 -2.215 -5.986 1.00 . A A . 28 ASN ND2 1 1 3 1559 1 1 28 ASN O O 1.249 -1.339 -2.816 1.00 . A A . 28 ASN O 1 1 3 1560 1 1 28 ASN OD1 O 4.664 -0.048 -6.274 1.00 . A A . 28 ASN OD1 1 1 3 1561 1 1 29 ALA C C -1.732 1.135 -3.514 1.00 . A A . 29 ALA C 1 1 3 1562 1 1 29 ALA CA C -0.571 0.752 -2.607 1.00 . A A . 29 ALA CA 1 1 3 1563 1 1 29 ALA CB C -0.514 1.682 -1.404 1.00 . A A . 29 ALA CB 1 1 3 1564 1 1 29 ALA H H 0.947 1.621 -3.780 1.00 . A A . 29 ALA H 1 1 3 1565 1 1 29 ALA HA H -0.746 -0.249 -2.239 1.00 . A A . 29 ALA HA 1 1 3 1566 1 1 29 ALA HB1 H -0.532 1.091 -0.501 1.00 . A A . 29 ALA HB1 1 1 3 1567 1 1 29 ALA HB2 H -1.362 2.356 -1.398 1.00 . A A . 29 ALA HB2 1 1 3 1568 1 1 29 ALA HB3 H 0.398 2.264 -1.426 1.00 . A A . 29 ALA HB3 1 1 3 1569 1 1 29 ALA N N 0.689 0.785 -3.326 1.00 . A A . 29 ALA N 1 1 3 1570 1 1 29 ALA O O -1.574 1.923 -4.447 1.00 . A A . 29 ALA O 1 1 3 1571 1 1 30 LYS C C -5.243 1.068 -2.972 1.00 . A A . 30 LYS C 1 1 3 1572 1 1 30 LYS CA C -4.105 0.872 -3.963 1.00 . A A . 30 LYS CA 1 1 3 1573 1 1 30 LYS CB C -4.434 -0.267 -4.929 1.00 . A A . 30 LYS CB 1 1 3 1574 1 1 30 LYS CD C -5.215 1.156 -6.844 1.00 . A A . 30 LYS CD 1 1 3 1575 1 1 30 LYS CE C -6.348 1.432 -7.816 1.00 . A A . 30 LYS CE 1 1 3 1576 1 1 30 LYS CG C -5.578 0.042 -5.876 1.00 . A A . 30 LYS CG 1 1 3 1577 1 1 30 LYS H H -2.946 -0.053 -2.468 1.00 . A A . 30 LYS H 1 1 3 1578 1 1 30 LYS HA H -3.959 1.790 -4.518 1.00 . A A . 30 LYS HA 1 1 3 1579 1 1 30 LYS HB2 H -3.555 -0.483 -5.518 1.00 . A A . 30 LYS HB2 1 1 3 1580 1 1 30 LYS HB3 H -4.694 -1.151 -4.362 1.00 . A A . 30 LYS HB3 1 1 3 1581 1 1 30 LYS HD2 H -5.013 2.059 -6.291 1.00 . A A . 30 LYS HD2 1 1 3 1582 1 1 30 LYS HD3 H -4.337 0.868 -7.405 1.00 . A A . 30 LYS HD3 1 1 3 1583 1 1 30 LYS HE2 H -7.231 1.709 -7.258 1.00 . A A . 30 LYS HE2 1 1 3 1584 1 1 30 LYS HE3 H -6.059 2.253 -8.456 1.00 . A A . 30 LYS HE3 1 1 3 1585 1 1 30 LYS HG2 H -5.812 -0.849 -6.436 1.00 . A A . 30 LYS HG2 1 1 3 1586 1 1 30 LYS HG3 H -6.444 0.341 -5.302 1.00 . A A . 30 LYS HG3 1 1 3 1587 1 1 30 LYS HZ1 H -7.130 -0.483 -8.096 1.00 . A A . 30 LYS HZ1 1 1 3 1588 1 1 30 LYS HZ2 H -5.794 -0.145 -9.080 1.00 . A A . 30 LYS HZ2 1 1 3 1589 1 1 30 LYS HZ3 H -7.301 0.532 -9.433 1.00 . A A . 30 LYS HZ3 1 1 3 1590 1 1 30 LYS N N -2.892 0.572 -3.227 1.00 . A A . 30 LYS N 1 1 3 1591 1 1 30 LYS NZ N -6.662 0.252 -8.662 1.00 . A A . 30 LYS NZ 1 1 3 1592 1 1 30 LYS O O -5.448 0.240 -2.082 1.00 . A A . 30 LYS O 1 1 3 1593 1 1 31 CYS C C -8.319 1.772 -2.503 1.00 . A A . 31 CYS C 1 1 3 1594 1 1 31 CYS CA C -7.013 2.465 -2.141 1.00 . A A . 31 CYS CA 1 1 3 1595 1 1 31 CYS CB C -7.247 3.971 -2.020 1.00 . A A . 31 CYS CB 1 1 3 1596 1 1 31 CYS H H -5.769 2.809 -3.820 1.00 . A A . 31 CYS H 1 1 3 1597 1 1 31 CYS HA H -6.689 2.101 -1.185 1.00 . A A . 31 CYS HA 1 1 3 1598 1 1 31 CYS HB2 H -6.288 4.472 -2.003 1.00 . A A . 31 CYS HB2 1 1 3 1599 1 1 31 CYS HB3 H -7.813 4.326 -2.871 1.00 . A A . 31 CYS HB3 1 1 3 1600 1 1 31 CYS N N -5.971 2.163 -3.101 1.00 . A A . 31 CYS N 1 1 3 1601 1 1 31 CYS O O -8.949 2.083 -3.519 1.00 . A A . 31 CYS O 1 1 3 1602 1 1 31 CYS SG S -8.135 4.442 -0.495 1.00 . A A . 31 CYS SG 1 1 3 1603 1 1 32 ILE C C -10.940 1.186 -0.941 1.00 . A A . 32 ILE C 1 1 3 1604 1 1 32 ILE CA C -10.030 0.249 -1.716 1.00 . A A . 32 ILE CA 1 1 3 1605 1 1 32 ILE CB C -10.076 -1.181 -1.127 1.00 . A A . 32 ILE CB 1 1 3 1606 1 1 32 ILE CD1 C -9.500 -2.572 0.946 1.00 . A A . 32 ILE CD1 1 1 3 1607 1 1 32 ILE CG1 C -9.633 -1.187 0.344 1.00 . A A . 32 ILE CG1 1 1 3 1608 1 1 32 ILE CG2 C -9.191 -2.107 -1.952 1.00 . A A . 32 ILE CG2 1 1 3 1609 1 1 32 ILE H H -8.123 0.603 -0.913 1.00 . A A . 32 ILE H 1 1 3 1610 1 1 32 ILE HA H -10.370 0.209 -2.748 1.00 . A A . 32 ILE HA 1 1 3 1611 1 1 32 ILE HB H -11.089 -1.548 -1.194 1.00 . A A . 32 ILE HB 1 1 3 1612 1 1 32 ILE HD11 H -8.614 -3.053 0.558 1.00 . A A . 32 ILE HD11 1 1 3 1613 1 1 32 ILE HD12 H -10.370 -3.165 0.699 1.00 . A A . 32 ILE HD12 1 1 3 1614 1 1 32 ILE HD13 H -9.419 -2.488 2.020 1.00 . A A . 32 ILE HD13 1 1 3 1615 1 1 32 ILE HG12 H -8.679 -0.724 0.435 1.00 . A A . 32 ILE HG12 1 1 3 1616 1 1 32 ILE HG13 H -10.358 -0.647 0.930 1.00 . A A . 32 ILE HG13 1 1 3 1617 1 1 32 ILE HG21 H -9.451 -2.022 -2.999 1.00 . A A . 32 ILE HG21 1 1 3 1618 1 1 32 ILE HG22 H -9.338 -3.130 -1.639 1.00 . A A . 32 ILE HG22 1 1 3 1619 1 1 32 ILE HG23 H -8.152 -1.835 -1.821 1.00 . A A . 32 ILE HG23 1 1 3 1620 1 1 32 ILE N N -8.695 0.808 -1.681 1.00 . A A . 32 ILE N 1 1 3 1621 1 1 32 ILE O O -10.472 2.214 -0.459 1.00 . A A . 32 ILE O 1 1 3 1622 1 1 33 ASN C C -12.718 2.161 1.237 1.00 . A A . 33 ASN C 1 1 3 1623 1 1 33 ASN CA C -13.174 1.738 -0.167 1.00 . A A . 33 ASN CA 1 1 3 1624 1 1 33 ASN CB C -14.579 1.112 -0.128 1.00 . A A . 33 ASN CB 1 1 3 1625 1 1 33 ASN CG C -14.649 -0.211 0.617 1.00 . A A . 33 ASN CG 1 1 3 1626 1 1 33 ASN H H -12.534 0.014 -1.227 1.00 . A A . 33 ASN H 1 1 3 1627 1 1 33 ASN HA H -13.236 2.628 -0.785 1.00 . A A . 33 ASN HA 1 1 3 1628 1 1 33 ASN HB2 H -15.260 1.807 0.344 1.00 . A A . 33 ASN HB2 1 1 3 1629 1 1 33 ASN HB3 H -14.907 0.943 -1.144 1.00 . A A . 33 ASN HB3 1 1 3 1630 1 1 33 ASN HD21 H -16.522 0.180 1.191 1.00 . A A . 33 ASN HD21 1 1 3 1631 1 1 33 ASN HD22 H -15.856 -1.322 1.724 1.00 . A A . 33 ASN HD22 1 1 3 1632 1 1 33 ASN N N -12.210 0.850 -0.817 1.00 . A A . 33 ASN N 1 1 3 1633 1 1 33 ASN ND2 N -15.788 -0.474 1.237 1.00 . A A . 33 ASN ND2 1 1 3 1634 1 1 33 ASN O O -12.870 1.431 2.218 1.00 . A A . 33 ASN O 1 1 3 1635 1 1 33 ASN OD1 O -13.698 -0.995 0.624 1.00 . A A . 33 ASN OD1 1 1 3 1636 1 1 34 LYS C C -10.488 3.257 3.161 1.00 . A A . 34 LYS C 1 1 3 1637 1 1 34 LYS CA C -11.682 3.987 2.539 1.00 . A A . 34 LYS CA 1 1 3 1638 1 1 34 LYS CB C -12.819 4.060 3.563 1.00 . A A . 34 LYS CB 1 1 3 1639 1 1 34 LYS CD C -15.124 4.870 4.147 1.00 . A A . 34 LYS CD 1 1 3 1640 1 1 34 LYS CE C -15.612 3.474 4.514 1.00 . A A . 34 LYS CE 1 1 3 1641 1 1 34 LYS CG C -14.033 4.834 3.088 1.00 . A A . 34 LYS CG 1 1 3 1642 1 1 34 LYS H H -12.028 3.878 0.464 1.00 . A A . 34 LYS H 1 1 3 1643 1 1 34 LYS HA H -11.374 4.994 2.298 1.00 . A A . 34 LYS HA 1 1 3 1644 1 1 34 LYS HB2 H -13.116 3.060 3.816 1.00 . A A . 34 LYS HB2 1 1 3 1645 1 1 34 LYS HB3 H -12.446 4.545 4.458 1.00 . A A . 34 LYS HB3 1 1 3 1646 1 1 34 LYS HD2 H -14.738 5.349 5.035 1.00 . A A . 34 LYS HD2 1 1 3 1647 1 1 34 LYS HD3 H -15.958 5.442 3.766 1.00 . A A . 34 LYS HD3 1 1 3 1648 1 1 34 LYS HE2 H -14.805 2.906 4.944 1.00 . A A . 34 LYS HE2 1 1 3 1649 1 1 34 LYS HE3 H -16.397 3.575 5.249 1.00 . A A . 34 LYS HE3 1 1 3 1650 1 1 34 LYS HG2 H -13.733 5.847 2.864 1.00 . A A . 34 LYS HG2 1 1 3 1651 1 1 34 LYS HG3 H -14.421 4.368 2.194 1.00 . A A . 34 LYS HG3 1 1 3 1652 1 1 34 LYS HZ1 H -15.391 2.483 2.689 1.00 . A A . 34 LYS HZ1 1 1 3 1653 1 1 34 LYS HZ2 H -16.848 3.334 2.828 1.00 . A A . 34 LYS HZ2 1 1 3 1654 1 1 34 LYS HZ3 H -16.636 1.877 3.656 1.00 . A A . 34 LYS HZ3 1 1 3 1655 1 1 34 LYS N N -12.132 3.358 1.292 1.00 . A A . 34 LYS N 1 1 3 1656 1 1 34 LYS NZ N -16.158 2.745 3.340 1.00 . A A . 34 LYS NZ 1 1 3 1657 1 1 34 LYS O O -10.307 3.289 4.381 1.00 . A A . 34 LYS O 1 1 3 1658 1 1 35 SER C C -7.410 1.748 1.786 1.00 . A A . 35 SER C 1 1 3 1659 1 1 35 SER CA C -8.502 1.886 2.851 1.00 . A A . 35 SER CA 1 1 3 1660 1 1 35 SER CB C -8.914 0.496 3.354 1.00 . A A . 35 SER CB 1 1 3 1661 1 1 35 SER H H -9.842 2.602 1.371 1.00 . A A . 35 SER H 1 1 3 1662 1 1 35 SER HA H -8.098 2.444 3.689 1.00 . A A . 35 SER HA 1 1 3 1663 1 1 35 SER HB2 H -9.342 -0.059 2.559 1.00 . A A . 35 SER HB2 1 1 3 1664 1 1 35 SER HB3 H -8.046 -0.027 3.732 1.00 . A A . 35 SER HB3 1 1 3 1665 1 1 35 SER HG H -9.429 0.799 5.225 1.00 . A A . 35 SER HG 1 1 3 1666 1 1 35 SER N N -9.670 2.604 2.341 1.00 . A A . 35 SER N 1 1 3 1667 1 1 35 SER O O -7.584 1.049 0.792 1.00 . A A . 35 SER O 1 1 3 1668 1 1 35 SER OG O -9.872 0.591 4.398 1.00 . A A . 35 SER OG 1 1 3 1669 1 1 36 CYS C C -4.393 0.986 1.381 1.00 . A A . 36 CYS C 1 1 3 1670 1 1 36 CYS CA C -5.146 2.283 1.092 1.00 . A A . 36 CYS CA 1 1 3 1671 1 1 36 CYS CB C -4.207 3.487 1.220 1.00 . A A . 36 CYS CB 1 1 3 1672 1 1 36 CYS H H -6.187 2.967 2.811 1.00 . A A . 36 CYS H 1 1 3 1673 1 1 36 CYS HA H -5.509 2.245 0.085 1.00 . A A . 36 CYS HA 1 1 3 1674 1 1 36 CYS HB2 H -3.949 3.629 2.259 1.00 . A A . 36 CYS HB2 1 1 3 1675 1 1 36 CYS HB3 H -3.310 3.291 0.653 1.00 . A A . 36 CYS HB3 1 1 3 1676 1 1 36 CYS N N -6.283 2.418 1.996 1.00 . A A . 36 CYS N 1 1 3 1677 1 1 36 CYS O O -3.511 0.942 2.241 1.00 . A A . 36 CYS O 1 1 3 1678 1 1 36 CYS SG S -4.920 5.049 0.602 1.00 . A A . 36 CYS SG 1 1 3 1679 1 1 37 LYS C C -2.919 -1.576 0.061 1.00 . A A . 37 LYS C 1 1 3 1680 1 1 37 LYS CA C -4.182 -1.387 0.888 1.00 . A A . 37 LYS CA 1 1 3 1681 1 1 37 LYS CB C -5.198 -2.474 0.529 1.00 . A A . 37 LYS CB 1 1 3 1682 1 1 37 LYS CD C -5.588 -4.944 0.202 1.00 . A A . 37 LYS CD 1 1 3 1683 1 1 37 LYS CE C -5.570 -4.824 -1.316 1.00 . A A . 37 LYS CE 1 1 3 1684 1 1 37 LYS CG C -4.717 -3.882 0.852 1.00 . A A . 37 LYS CG 1 1 3 1685 1 1 37 LYS H H -5.463 0.033 -0.020 1.00 . A A . 37 LYS H 1 1 3 1686 1 1 37 LYS HA H -3.936 -1.479 1.942 1.00 . A A . 37 LYS HA 1 1 3 1687 1 1 37 LYS HB2 H -6.107 -2.291 1.088 1.00 . A A . 37 LYS HB2 1 1 3 1688 1 1 37 LYS HB3 H -5.414 -2.393 -0.522 1.00 . A A . 37 LYS HB3 1 1 3 1689 1 1 37 LYS HD2 H -5.216 -5.919 0.479 1.00 . A A . 37 LYS HD2 1 1 3 1690 1 1 37 LYS HD3 H -6.604 -4.832 0.552 1.00 . A A . 37 LYS HD3 1 1 3 1691 1 1 37 LYS HE2 H -6.123 -3.946 -1.606 1.00 . A A . 37 LYS HE2 1 1 3 1692 1 1 37 LYS HE3 H -4.546 -4.735 -1.657 1.00 . A A . 37 LYS HE3 1 1 3 1693 1 1 37 LYS HG2 H -3.706 -4.021 0.505 1.00 . A A . 37 LYS HG2 1 1 3 1694 1 1 37 LYS HG3 H -4.748 -4.020 1.923 1.00 . A A . 37 LYS HG3 1 1 3 1695 1 1 37 LYS HZ1 H -6.161 -5.883 -3.012 1.00 . A A . 37 LYS HZ1 1 1 3 1696 1 1 37 LYS HZ2 H -7.184 -6.100 -1.684 1.00 . A A . 37 LYS HZ2 1 1 3 1697 1 1 37 LYS HZ3 H -5.677 -6.871 -1.727 1.00 . A A . 37 LYS HZ3 1 1 3 1698 1 1 37 LYS N N -4.751 -0.067 0.657 1.00 . A A . 37 LYS N 1 1 3 1699 1 1 37 LYS NZ N -6.191 -6.001 -1.979 1.00 . A A . 37 LYS NZ 1 1 3 1700 1 1 37 LYS O O -2.841 -1.129 -1.081 1.00 . A A . 37 LYS O 1 1 3 1701 1 1 38 CYS C C -0.729 -3.856 -0.745 1.00 . A A . 38 CYS C 1 1 3 1702 1 1 38 CYS CA C -0.685 -2.499 -0.052 1.00 . A A . 38 CYS CA 1 1 3 1703 1 1 38 CYS CB C 0.477 -2.460 0.943 1.00 . A A . 38 CYS CB 1 1 3 1704 1 1 38 CYS H H -2.056 -2.580 1.558 1.00 . A A . 38 CYS H 1 1 3 1705 1 1 38 CYS HA H -0.523 -1.731 -0.796 1.00 . A A . 38 CYS HA 1 1 3 1706 1 1 38 CYS HB2 H 0.278 -3.162 1.740 1.00 . A A . 38 CYS HB2 1 1 3 1707 1 1 38 CYS HB3 H 1.393 -2.746 0.442 1.00 . A A . 38 CYS HB3 1 1 3 1708 1 1 38 CYS N N -1.937 -2.238 0.639 1.00 . A A . 38 CYS N 1 1 3 1709 1 1 38 CYS O O -1.359 -4.795 -0.256 1.00 . A A . 38 CYS O 1 1 3 1710 1 1 38 CYS SG S 0.741 -0.830 1.707 1.00 . A A . 38 CYS SG 1 1 3 1711 1 1 39 TYR C C 1.096 -6.095 -1.969 1.00 . A A . 39 TYR C 1 1 3 1712 1 1 39 TYR CA C 0.041 -5.211 -2.614 1.00 . A A . 39 TYR CA 1 1 3 1713 1 1 39 TYR CB C 0.405 -4.976 -4.079 1.00 . A A . 39 TYR CB 1 1 3 1714 1 1 39 TYR CD1 C -1.758 -5.004 -5.375 1.00 . A A . 39 TYR CD1 1 1 3 1715 1 1 39 TYR CD2 C -0.591 -2.933 -5.176 1.00 . A A . 39 TYR CD2 1 1 3 1716 1 1 39 TYR CE1 C -2.738 -4.385 -6.122 1.00 . A A . 39 TYR CE1 1 1 3 1717 1 1 39 TYR CE2 C -1.567 -2.307 -5.923 1.00 . A A . 39 TYR CE2 1 1 3 1718 1 1 39 TYR CG C -0.670 -4.290 -4.888 1.00 . A A . 39 TYR CG 1 1 3 1719 1 1 39 TYR CZ C -2.640 -3.039 -6.397 1.00 . A A . 39 TYR CZ 1 1 3 1720 1 1 39 TYR H H 0.424 -3.159 -2.235 1.00 . A A . 39 TYR H 1 1 3 1721 1 1 39 TYR HA H -0.916 -5.719 -2.566 1.00 . A A . 39 TYR HA 1 1 3 1722 1 1 39 TYR HB2 H 1.300 -4.370 -4.121 1.00 . A A . 39 TYR HB2 1 1 3 1723 1 1 39 TYR HB3 H 0.614 -5.931 -4.552 1.00 . A A . 39 TYR HB3 1 1 3 1724 1 1 39 TYR HD1 H -1.837 -6.061 -5.160 1.00 . A A . 39 TYR HD1 1 1 3 1725 1 1 39 TYR HD2 H 0.248 -2.362 -4.808 1.00 . A A . 39 TYR HD2 1 1 3 1726 1 1 39 TYR HE1 H -3.576 -4.957 -6.492 1.00 . A A . 39 TYR HE1 1 1 3 1727 1 1 39 TYR HE2 H -1.489 -1.251 -6.137 1.00 . A A . 39 TYR HE2 1 1 3 1728 1 1 39 TYR HH H -4.452 -2.431 -6.664 1.00 . A A . 39 TYR HH 1 1 3 1729 1 1 39 TYR N N -0.060 -3.948 -1.892 1.00 . A A . 39 TYR N 1 1 3 1730 1 1 39 TYR O O 1.158 -7.298 -2.222 1.00 . A A . 39 TYR O 1 1 3 1731 1 1 39 TYR OH O -3.621 -2.422 -7.145 1.00 . A A . 39 TYR OH 1 1 3 1732 1 1 40 GLY C C 4.336 -5.803 -0.906 1.00 . A A . 40 GLY C 1 1 3 1733 1 1 40 GLY CA C 2.960 -6.221 -0.450 1.00 . A A . 40 GLY CA 1 1 3 1734 1 1 40 GLY H H 1.854 -4.527 -0.967 1.00 . A A . 40 GLY H 1 1 3 1735 1 1 40 GLY HA2 H 2.875 -6.021 0.608 1.00 . A A . 40 GLY HA2 1 1 3 1736 1 1 40 GLY HA3 H 2.851 -7.287 -0.607 1.00 . A A . 40 GLY HA3 1 1 3 1737 1 1 40 GLY N N 1.924 -5.487 -1.137 1.00 . A A . 40 GLY N 1 1 3 1738 1 1 40 GLY O O 4.476 -4.912 -1.748 1.00 . A A . 40 GLY O 1 1 3 1739 1 1 41 CYS C C 7.575 -7.384 -0.480 1.00 . A A . 41 CYS C 1 1 3 1740 1 1 41 CYS CA C 6.723 -6.139 -0.681 1.00 . A A . 41 CYS CA 1 1 3 1741 1 1 41 CYS CB C 7.230 -4.993 0.196 1.00 . A A . 41 CYS CB 1 1 3 1742 1 1 41 CYS H H 5.159 -7.150 0.313 1.00 . A A . 41 CYS H 1 1 3 1743 1 1 41 CYS HA H 6.780 -5.845 -1.724 1.00 . A A . 41 CYS HA 1 1 3 1744 1 1 41 CYS HB2 H 6.518 -4.191 0.179 1.00 . A A . 41 CYS HB2 1 1 3 1745 1 1 41 CYS HB3 H 7.324 -5.343 1.216 1.00 . A A . 41 CYS HB3 1 1 3 1746 1 1 41 CYS N N 5.345 -6.447 -0.356 1.00 . A A . 41 CYS N 1 1 3 1747 1 1 41 CYS O O 7.666 -7.857 0.671 1.00 . A A . 41 CYS O 1 1 3 1748 1 1 41 CYS OXT O 8.125 -7.897 -1.473 1.00 . A A . 41 CYS OXT 1 1 3 1749 1 1 41 CYS SG S 8.853 -4.326 -0.301 1.00 . A A . 41 CYS SG 1 1 4 1750 1 1 1 TRP C C 0.774 -0.947 9.658 1.00 . A A . 1 TRP C 1 1 4 1751 1 1 1 TRP CA C 0.521 -2.425 9.964 1.00 . A A . 1 TRP CA 1 1 4 1752 1 1 1 TRP CB C 0.830 -2.751 11.440 1.00 . A A . 1 TRP CB 1 1 4 1753 1 1 1 TRP CD1 C 3.245 -3.637 11.420 1.00 . A A . 1 TRP CD1 1 1 4 1754 1 1 1 TRP CD2 C 2.955 -1.787 12.647 1.00 . A A . 1 TRP CD2 1 1 4 1755 1 1 1 TRP CE2 C 4.310 -2.162 12.714 1.00 . A A . 1 TRP CE2 1 1 4 1756 1 1 1 TRP CE3 C 2.536 -0.649 13.344 1.00 . A A . 1 TRP CE3 1 1 4 1757 1 1 1 TRP CG C 2.292 -2.736 11.802 1.00 . A A . 1 TRP CG 1 1 4 1758 1 1 1 TRP CH2 C 4.806 -0.338 14.129 1.00 . A A . 1 TRP CH2 1 1 4 1759 1 1 1 TRP CZ2 C 5.246 -1.445 13.455 1.00 . A A . 1 TRP CZ2 1 1 4 1760 1 1 1 TRP CZ3 C 3.466 0.061 14.078 1.00 . A A . 1 TRP CZ3 1 1 4 1761 1 1 1 TRP H1 H 0.884 -3.220 8.114 1.00 . A A . 1 TRP H1 1 1 4 1762 1 1 1 TRP H2 H 1.247 -4.276 9.411 1.00 . A A . 1 TRP H2 1 1 4 1763 1 1 1 TRP H3 H 2.293 -2.961 9.047 1.00 . A A . 1 TRP H3 1 1 4 1764 1 1 1 TRP HA H -0.526 -2.634 9.782 1.00 . A A . 1 TRP HA 1 1 4 1765 1 1 1 TRP HB2 H 0.320 -2.040 12.076 1.00 . A A . 1 TRP HB2 1 1 4 1766 1 1 1 TRP HB3 H 0.450 -3.740 11.657 1.00 . A A . 1 TRP HB3 1 1 4 1767 1 1 1 TRP HD1 H 3.057 -4.485 10.778 1.00 . A A . 1 TRP HD1 1 1 4 1768 1 1 1 TRP HE1 H 5.303 -3.776 11.816 1.00 . A A . 1 TRP HE1 1 1 4 1769 1 1 1 TRP HE3 H 1.506 -0.325 13.317 1.00 . A A . 1 TRP HE3 1 1 4 1770 1 1 1 TRP HH2 H 5.497 0.248 14.717 1.00 . A A . 1 TRP HH2 1 1 4 1771 1 1 1 TRP HZ2 H 6.284 -1.740 13.504 1.00 . A A . 1 TRP HZ2 1 1 4 1772 1 1 1 TRP HZ3 H 3.160 0.940 14.625 1.00 . A A . 1 TRP HZ3 1 1 4 1773 1 1 1 TRP N N 1.307 -3.294 9.062 1.00 . A A . 1 TRP N 1 1 4 1774 1 1 1 TRP NE1 N 4.463 -3.291 11.954 1.00 . A A . 1 TRP NE1 1 1 4 1775 1 1 1 TRP O O 1.662 -0.318 10.226 1.00 . A A . 1 TRP O 1 1 4 1776 1 1 2 CYS C C -0.872 1.797 9.321 1.00 . A A . 2 CYS C 1 1 4 1777 1 1 2 CYS CA C 0.095 1.023 8.436 1.00 . A A . 2 CYS CA 1 1 4 1778 1 1 2 CYS CB C -0.194 1.307 6.958 1.00 . A A . 2 CYS CB 1 1 4 1779 1 1 2 CYS H H -0.694 -0.937 8.291 1.00 . A A . 2 CYS H 1 1 4 1780 1 1 2 CYS HA H 1.106 1.360 8.651 1.00 . A A . 2 CYS HA 1 1 4 1781 1 1 2 CYS HB2 H 0.492 0.735 6.350 1.00 . A A . 2 CYS HB2 1 1 4 1782 1 1 2 CYS HB3 H -1.207 1.005 6.730 1.00 . A A . 2 CYS HB3 1 1 4 1783 1 1 2 CYS N N 0.001 -0.396 8.736 1.00 . A A . 2 CYS N 1 1 4 1784 1 1 2 CYS O O -2.017 2.049 8.944 1.00 . A A . 2 CYS O 1 1 4 1785 1 1 2 CYS SG S -0.004 3.066 6.504 1.00 . A A . 2 CYS SG 1 1 4 1786 1 1 3 SER C C -1.650 4.233 10.953 1.00 . A A . 3 SER C 1 1 4 1787 1 1 3 SER CA C -1.228 2.861 11.476 1.00 . A A . 3 SER CA 1 1 4 1788 1 1 3 SER CB C -0.458 2.996 12.788 1.00 . A A . 3 SER CB 1 1 4 1789 1 1 3 SER H H 0.522 1.921 10.748 1.00 . A A . 3 SER H 1 1 4 1790 1 1 3 SER HA H -2.116 2.270 11.656 1.00 . A A . 3 SER HA 1 1 4 1791 1 1 3 SER HB2 H 0.373 3.677 12.657 1.00 . A A . 3 SER HB2 1 1 4 1792 1 1 3 SER HB3 H -1.117 3.372 13.556 1.00 . A A . 3 SER HB3 1 1 4 1793 1 1 3 SER HG H 0.436 1.813 14.071 1.00 . A A . 3 SER HG 1 1 4 1794 1 1 3 SER N N -0.405 2.161 10.505 1.00 . A A . 3 SER N 1 1 4 1795 1 1 3 SER O O -2.711 4.746 11.310 1.00 . A A . 3 SER O 1 1 4 1796 1 1 3 SER OG O 0.049 1.735 13.196 1.00 . A A . 3 SER OG 1 1 4 1797 1 1 4 THR C C -2.171 6.027 8.396 1.00 . A A . 4 THR C 1 1 4 1798 1 1 4 THR CA C -1.130 6.117 9.510 1.00 . A A . 4 THR CA 1 1 4 1799 1 1 4 THR CB C 0.150 6.783 8.964 1.00 . A A . 4 THR CB 1 1 4 1800 1 1 4 THR CG2 C 0.981 7.371 10.094 1.00 . A A . 4 THR CG2 1 1 4 1801 1 1 4 THR H H -0.013 4.351 9.792 1.00 . A A . 4 THR H 1 1 4 1802 1 1 4 THR HA H -1.540 6.742 10.298 1.00 . A A . 4 THR HA 1 1 4 1803 1 1 4 THR HB H -0.112 7.594 8.292 1.00 . A A . 4 THR HB 1 1 4 1804 1 1 4 THR HG1 H 0.562 5.730 7.368 1.00 . A A . 4 THR HG1 1 1 4 1805 1 1 4 THR HG21 H 1.267 6.586 10.780 1.00 . A A . 4 THR HG21 1 1 4 1806 1 1 4 THR HG22 H 0.402 8.117 10.620 1.00 . A A . 4 THR HG22 1 1 4 1807 1 1 4 THR HG23 H 1.869 7.830 9.684 1.00 . A A . 4 THR HG23 1 1 4 1808 1 1 4 THR N N -0.839 4.807 10.072 1.00 . A A . 4 THR N 1 1 4 1809 1 1 4 THR O O -2.762 7.029 8.006 1.00 . A A . 4 THR O 1 1 4 1810 1 1 4 THR OG1 O 0.933 5.824 8.239 1.00 . A A . 4 THR OG1 1 1 4 1811 1 1 5 CYS C C -4.801 4.581 7.278 1.00 . A A . 5 CYS C 1 1 4 1812 1 1 5 CYS CA C -3.347 4.614 6.805 1.00 . A A . 5 CYS CA 1 1 4 1813 1 1 5 CYS CB C -3.011 3.325 6.048 1.00 . A A . 5 CYS CB 1 1 4 1814 1 1 5 CYS H H -1.957 4.042 8.276 1.00 . A A . 5 CYS H 1 1 4 1815 1 1 5 CYS HA H -3.237 5.445 6.123 1.00 . A A . 5 CYS HA 1 1 4 1816 1 1 5 CYS HB2 H -2.937 2.511 6.749 1.00 . A A . 5 CYS HB2 1 1 4 1817 1 1 5 CYS HB3 H -3.800 3.108 5.338 1.00 . A A . 5 CYS HB3 1 1 4 1818 1 1 5 CYS N N -2.419 4.817 7.913 1.00 . A A . 5 CYS N 1 1 4 1819 1 1 5 CYS O O -5.712 4.367 6.481 1.00 . A A . 5 CYS O 1 1 4 1820 1 1 5 CYS SG S -1.446 3.392 5.111 1.00 . A A . 5 CYS SG 1 1 4 1821 1 1 6 LEU C C -7.077 6.131 8.817 1.00 . A A . 6 LEU C 1 1 4 1822 1 1 6 LEU CA C -6.374 4.809 9.112 1.00 . A A . 6 LEU CA 1 1 4 1823 1 1 6 LEU CB C -6.351 4.545 10.621 1.00 . A A . 6 LEU CB 1 1 4 1824 1 1 6 LEU CD1 C -8.457 3.179 10.731 1.00 . A A . 6 LEU CD1 1 1 4 1825 1 1 6 LEU CD2 C -7.591 4.305 12.792 1.00 . A A . 6 LEU CD2 1 1 4 1826 1 1 6 LEU CG C -7.728 4.398 11.279 1.00 . A A . 6 LEU CG 1 1 4 1827 1 1 6 LEU H H -4.282 4.987 9.179 1.00 . A A . 6 LEU H 1 1 4 1828 1 1 6 LEU HA H -6.927 4.014 8.630 1.00 . A A . 6 LEU HA 1 1 4 1829 1 1 6 LEU HB2 H -5.787 3.638 10.795 1.00 . A A . 6 LEU HB2 1 1 4 1830 1 1 6 LEU HB3 H -5.828 5.365 11.098 1.00 . A A . 6 LEU HB3 1 1 4 1831 1 1 6 LEU HD11 H -8.628 3.302 9.673 1.00 . A A . 6 LEU HD11 1 1 4 1832 1 1 6 LEU HD12 H -9.410 3.070 11.231 1.00 . A A . 6 LEU HD12 1 1 4 1833 1 1 6 LEU HD13 H -7.862 2.292 10.899 1.00 . A A . 6 LEU HD13 1 1 4 1834 1 1 6 LEU HD21 H -7.008 3.432 13.053 1.00 . A A . 6 LEU HD21 1 1 4 1835 1 1 6 LEU HD22 H -8.572 4.229 13.241 1.00 . A A . 6 LEU HD22 1 1 4 1836 1 1 6 LEU HD23 H -7.097 5.191 13.166 1.00 . A A . 6 LEU HD23 1 1 4 1837 1 1 6 LEU HG H -8.326 5.269 11.055 1.00 . A A . 6 LEU HG 1 1 4 1838 1 1 6 LEU N N -5.021 4.811 8.568 1.00 . A A . 6 LEU N 1 1 4 1839 1 1 6 LEU O O -8.298 6.181 8.683 1.00 . A A . 6 LEU O 1 1 4 1840 1 1 7 ASP C C -6.517 8.934 6.982 1.00 . A A . 7 ASP C 1 1 4 1841 1 1 7 ASP CA C -6.864 8.512 8.403 1.00 . A A . 7 ASP CA 1 1 4 1842 1 1 7 ASP CB C -6.371 9.565 9.402 1.00 . A A . 7 ASP CB 1 1 4 1843 1 1 7 ASP CG C -7.060 9.462 10.750 1.00 . A A . 7 ASP CG 1 1 4 1844 1 1 7 ASP H H -5.328 7.124 8.806 1.00 . A A . 7 ASP H 1 1 4 1845 1 1 7 ASP HA H -7.946 8.460 8.468 1.00 . A A . 7 ASP HA 1 1 4 1846 1 1 7 ASP HB2 H -5.310 9.440 9.553 1.00 . A A . 7 ASP HB2 1 1 4 1847 1 1 7 ASP HB3 H -6.556 10.559 9.014 1.00 . A A . 7 ASP HB3 1 1 4 1848 1 1 7 ASP N N -6.302 7.200 8.701 1.00 . A A . 7 ASP N 1 1 4 1849 1 1 7 ASP O O -6.482 10.122 6.663 1.00 . A A . 7 ASP O 1 1 4 1850 1 1 7 ASP OD1 O -8.248 9.844 10.845 1.00 . A A . 7 ASP OD1 1 1 4 1851 1 1 7 ASP OD2 O -6.421 9.008 11.721 1.00 . A A . 7 ASP OD2 1 1 4 1852 1 1 8 LEU C C -7.007 7.641 3.812 1.00 . A A . 8 LEU C 1 1 4 1853 1 1 8 LEU CA C -5.929 8.208 4.732 1.00 . A A . 8 LEU CA 1 1 4 1854 1 1 8 LEU CB C -4.565 7.600 4.386 1.00 . A A . 8 LEU CB 1 1 4 1855 1 1 8 LEU CD1 C -3.237 9.213 5.801 1.00 . A A . 8 LEU CD1 1 1 4 1856 1 1 8 LEU CD2 C -2.093 7.844 4.058 1.00 . A A . 8 LEU CD2 1 1 4 1857 1 1 8 LEU CG C -3.375 8.569 4.432 1.00 . A A . 8 LEU CG 1 1 4 1858 1 1 8 LEU H H -6.303 7.017 6.419 1.00 . A A . 8 LEU H 1 1 4 1859 1 1 8 LEU HA H -5.886 9.272 4.577 1.00 . A A . 8 LEU HA 1 1 4 1860 1 1 8 LEU HB2 H -4.371 6.794 5.074 1.00 . A A . 8 LEU HB2 1 1 4 1861 1 1 8 LEU HB3 H -4.602 7.185 3.397 1.00 . A A . 8 LEU HB3 1 1 4 1862 1 1 8 LEU HD11 H -3.625 8.559 6.563 1.00 . A A . 8 LEU HD11 1 1 4 1863 1 1 8 LEU HD12 H -3.802 10.133 5.812 1.00 . A A . 8 LEU HD12 1 1 4 1864 1 1 8 LEU HD13 H -2.199 9.438 6.014 1.00 . A A . 8 LEU HD13 1 1 4 1865 1 1 8 LEU HD21 H -1.963 6.975 4.690 1.00 . A A . 8 LEU HD21 1 1 4 1866 1 1 8 LEU HD22 H -1.247 8.508 4.185 1.00 . A A . 8 LEU HD22 1 1 4 1867 1 1 8 LEU HD23 H -2.140 7.538 3.033 1.00 . A A . 8 LEU HD23 1 1 4 1868 1 1 8 LEU HG H -3.531 9.358 3.716 1.00 . A A . 8 LEU HG 1 1 4 1869 1 1 8 LEU N N -6.260 7.951 6.130 1.00 . A A . 8 LEU N 1 1 4 1870 1 1 8 LEU O O -6.712 7.157 2.714 1.00 . A A . 8 LEU O 1 1 4 1871 1 1 9 ALA C C -9.538 7.700 2.156 1.00 . A A . 9 ALA C 1 1 4 1872 1 1 9 ALA CA C -9.414 7.156 3.577 1.00 . A A . 9 ALA CA 1 1 4 1873 1 1 9 ALA CB C -10.691 7.431 4.360 1.00 . A A . 9 ALA CB 1 1 4 1874 1 1 9 ALA H H -8.415 8.136 5.158 1.00 . A A . 9 ALA H 1 1 4 1875 1 1 9 ALA HA H -9.274 6.088 3.535 1.00 . A A . 9 ALA HA 1 1 4 1876 1 1 9 ALA HB1 H -10.866 8.497 4.408 1.00 . A A . 9 ALA HB1 1 1 4 1877 1 1 9 ALA HB2 H -10.587 7.040 5.362 1.00 . A A . 9 ALA HB2 1 1 4 1878 1 1 9 ALA HB3 H -11.528 6.949 3.873 1.00 . A A . 9 ALA HB3 1 1 4 1879 1 1 9 ALA N N -8.259 7.722 4.279 1.00 . A A . 9 ALA N 1 1 4 1880 1 1 9 ALA O O -10.284 8.647 1.899 1.00 . A A . 9 ALA O 1 1 4 1881 1 1 10 CYS C C -8.164 8.899 -0.264 1.00 . A A . 10 CYS C 1 1 4 1882 1 1 10 CYS CA C -8.734 7.498 -0.143 1.00 . A A . 10 CYS CA 1 1 4 1883 1 1 10 CYS CB C -10.094 7.393 -0.837 1.00 . A A . 10 CYS CB 1 1 4 1884 1 1 10 CYS H H -8.225 6.327 1.524 1.00 . A A . 10 CYS H 1 1 4 1885 1 1 10 CYS HA H -8.027 6.860 -0.606 1.00 . A A . 10 CYS HA 1 1 4 1886 1 1 10 CYS HB2 H -10.891 7.496 -0.120 1.00 . A A . 10 CYS HB2 1 1 4 1887 1 1 10 CYS HB3 H -10.200 8.164 -1.588 1.00 . A A . 10 CYS HB3 1 1 4 1888 1 1 10 CYS N N -8.796 7.080 1.246 1.00 . A A . 10 CYS N 1 1 4 1889 1 1 10 CYS O O -8.743 9.769 -0.910 1.00 . A A . 10 CYS O 1 1 4 1890 1 1 10 CYS SG S -10.341 5.803 -1.690 1.00 . A A . 10 CYS SG 1 1 4 1891 1 1 11 THR C C -5.507 10.285 -1.158 1.00 . A A . 11 THR C 1 1 4 1892 1 1 11 THR CA C -6.261 10.340 0.168 1.00 . A A . 11 THR CA 1 1 4 1893 1 1 11 THR CB C -5.264 10.568 1.319 1.00 . A A . 11 THR CB 1 1 4 1894 1 1 11 THR CG2 C -5.987 10.973 2.592 1.00 . A A . 11 THR CG2 1 1 4 1895 1 1 11 THR H H -6.587 8.364 0.855 1.00 . A A . 11 THR H 1 1 4 1896 1 1 11 THR HA H -6.960 11.171 0.131 1.00 . A A . 11 THR HA 1 1 4 1897 1 1 11 THR HB H -4.578 11.366 1.058 1.00 . A A . 11 THR HB 1 1 4 1898 1 1 11 THR HG1 H -3.797 9.311 0.917 1.00 . A A . 11 THR HG1 1 1 4 1899 1 1 11 THR HG21 H -6.462 11.932 2.445 1.00 . A A . 11 THR HG21 1 1 4 1900 1 1 11 THR HG22 H -5.276 11.045 3.401 1.00 . A A . 11 THR HG22 1 1 4 1901 1 1 11 THR HG23 H -6.737 10.234 2.837 1.00 . A A . 11 THR HG23 1 1 4 1902 1 1 11 THR N N -7.010 9.105 0.359 1.00 . A A . 11 THR N 1 1 4 1903 1 1 11 THR O O -4.806 11.222 -1.540 1.00 . A A . 11 THR O 1 1 4 1904 1 1 11 THR OG1 O -4.509 9.372 1.551 1.00 . A A . 11 THR OG1 1 1 4 1905 1 1 12 GLY C C -3.959 7.887 -3.018 1.00 . A A . 12 GLY C 1 1 4 1906 1 1 12 GLY CA C -5.006 8.968 -3.121 1.00 . A A . 12 GLY CA 1 1 4 1907 1 1 12 GLY H H -6.230 8.445 -1.534 1.00 . A A . 12 GLY H 1 1 4 1908 1 1 12 GLY HA2 H -5.746 8.677 -3.854 1.00 . A A . 12 GLY HA2 1 1 4 1909 1 1 12 GLY HA3 H -4.531 9.882 -3.458 1.00 . A A . 12 GLY HA3 1 1 4 1910 1 1 12 GLY N N -5.675 9.170 -1.860 1.00 . A A . 12 GLY N 1 1 4 1911 1 1 12 GLY O O -3.226 7.828 -2.032 1.00 . A A . 12 GLY O 1 1 4 1912 1 1 13 SER C C -1.495 6.543 -3.930 1.00 . A A . 13 SER C 1 1 4 1913 1 1 13 SER CA C -2.900 5.957 -4.029 1.00 . A A . 13 SER CA 1 1 4 1914 1 1 13 SER CB C -3.046 5.116 -5.297 1.00 . A A . 13 SER CB 1 1 4 1915 1 1 13 SER H H -4.512 7.112 -4.780 1.00 . A A . 13 SER H 1 1 4 1916 1 1 13 SER HA H -3.075 5.325 -3.168 1.00 . A A . 13 SER HA 1 1 4 1917 1 1 13 SER HB2 H -2.207 4.438 -5.392 1.00 . A A . 13 SER HB2 1 1 4 1918 1 1 13 SER HB3 H -3.960 4.543 -5.237 1.00 . A A . 13 SER HB3 1 1 4 1919 1 1 13 SER HG H -2.218 6.201 -6.703 1.00 . A A . 13 SER HG 1 1 4 1920 1 1 13 SER N N -3.890 7.022 -4.018 1.00 . A A . 13 SER N 1 1 4 1921 1 1 13 SER O O -0.664 6.059 -3.166 1.00 . A A . 13 SER O 1 1 4 1922 1 1 13 SER OG O -3.106 5.939 -6.447 1.00 . A A . 13 SER OG 1 1 4 1923 1 1 14 LYS C C 0.363 8.871 -3.301 1.00 . A A . 14 LYS C 1 1 4 1924 1 1 14 LYS CA C 0.030 8.300 -4.677 1.00 . A A . 14 LYS CA 1 1 4 1925 1 1 14 LYS CB C 0.051 9.407 -5.740 1.00 . A A . 14 LYS CB 1 1 4 1926 1 1 14 LYS CD C -0.589 11.691 -4.862 1.00 . A A . 14 LYS CD 1 1 4 1927 1 1 14 LYS CE C 0.456 12.449 -5.668 1.00 . A A . 14 LYS CE 1 1 4 1928 1 1 14 LYS CG C -1.059 10.440 -5.595 1.00 . A A . 14 LYS CG 1 1 4 1929 1 1 14 LYS H H -1.982 7.964 -5.252 1.00 . A A . 14 LYS H 1 1 4 1930 1 1 14 LYS HA H 0.771 7.584 -4.929 1.00 . A A . 14 LYS HA 1 1 4 1931 1 1 14 LYS HB2 H 1.015 9.885 -5.720 1.00 . A A . 14 LYS HB2 1 1 4 1932 1 1 14 LYS HB3 H -0.066 8.937 -6.707 1.00 . A A . 14 LYS HB3 1 1 4 1933 1 1 14 LYS HD2 H -1.439 12.338 -4.705 1.00 . A A . 14 LYS HD2 1 1 4 1934 1 1 14 LYS HD3 H -0.167 11.418 -3.908 1.00 . A A . 14 LYS HD3 1 1 4 1935 1 1 14 LYS HE2 H 1.368 11.876 -5.690 1.00 . A A . 14 LYS HE2 1 1 4 1936 1 1 14 LYS HE3 H 0.094 12.588 -6.679 1.00 . A A . 14 LYS HE3 1 1 4 1937 1 1 14 LYS HG2 H -1.395 10.723 -6.582 1.00 . A A . 14 LYS HG2 1 1 4 1938 1 1 14 LYS HG3 H -1.893 10.021 -5.051 1.00 . A A . 14 LYS HG3 1 1 4 1939 1 1 14 LYS HZ1 H -0.106 14.369 -5.059 1.00 . A A . 14 LYS HZ1 1 1 4 1940 1 1 14 LYS HZ2 H 1.471 14.271 -5.660 1.00 . A A . 14 LYS HZ2 1 1 4 1941 1 1 14 LYS HZ3 H 1.121 13.681 -4.115 1.00 . A A . 14 LYS HZ3 1 1 4 1942 1 1 14 LYS N N -1.260 7.619 -4.679 1.00 . A A . 14 LYS N 1 1 4 1943 1 1 14 LYS NZ N 0.755 13.784 -5.084 1.00 . A A . 14 LYS NZ 1 1 4 1944 1 1 14 LYS O O 1.529 9.093 -2.980 1.00 . A A . 14 LYS O 1 1 4 1945 1 1 15 ASP C C -0.139 8.463 -0.191 1.00 . A A . 15 ASP C 1 1 4 1946 1 1 15 ASP CA C -0.443 9.612 -1.140 1.00 . A A . 15 ASP CA 1 1 4 1947 1 1 15 ASP CB C -1.661 10.393 -0.646 1.00 . A A . 15 ASP CB 1 1 4 1948 1 1 15 ASP CG C -1.460 10.928 0.758 1.00 . A A . 15 ASP CG 1 1 4 1949 1 1 15 ASP H H -1.568 8.925 -2.774 1.00 . A A . 15 ASP H 1 1 4 1950 1 1 15 ASP HA H 0.411 10.281 -1.153 1.00 . A A . 15 ASP HA 1 1 4 1951 1 1 15 ASP HB2 H -1.834 11.229 -1.307 1.00 . A A . 15 ASP HB2 1 1 4 1952 1 1 15 ASP HB3 H -2.524 9.750 -0.655 1.00 . A A . 15 ASP HB3 1 1 4 1953 1 1 15 ASP N N -0.656 9.104 -2.486 1.00 . A A . 15 ASP N 1 1 4 1954 1 1 15 ASP O O 0.795 8.536 0.608 1.00 . A A . 15 ASP O 1 1 4 1955 1 1 15 ASP OD1 O -0.691 11.899 0.927 1.00 . A A . 15 ASP OD1 1 1 4 1956 1 1 15 ASP OD2 O -2.053 10.369 1.700 1.00 . A A . 15 ASP OD2 1 1 4 1957 1 1 16 CYS C C 0.562 5.467 0.157 1.00 . A A . 16 CYS C 1 1 4 1958 1 1 16 CYS CA C -0.729 6.204 0.518 1.00 . A A . 16 CYS CA 1 1 4 1959 1 1 16 CYS CB C -1.936 5.272 0.387 1.00 . A A . 16 CYS CB 1 1 4 1960 1 1 16 CYS H H -1.632 7.385 -0.988 1.00 . A A . 16 CYS H 1 1 4 1961 1 1 16 CYS HA H -0.652 6.526 1.550 1.00 . A A . 16 CYS HA 1 1 4 1962 1 1 16 CYS HB2 H -2.127 5.085 -0.659 1.00 . A A . 16 CYS HB2 1 1 4 1963 1 1 16 CYS HB3 H -1.726 4.333 0.884 1.00 . A A . 16 CYS HB3 1 1 4 1964 1 1 16 CYS N N -0.914 7.390 -0.311 1.00 . A A . 16 CYS N 1 1 4 1965 1 1 16 CYS O O 1.050 4.640 0.937 1.00 . A A . 16 CYS O 1 1 4 1966 1 1 16 CYS SG S -3.465 5.945 1.117 1.00 . A A . 16 CYS SG 1 1 4 1967 1 1 17 TYR C C 3.458 5.429 -0.357 1.00 . A A . 17 TYR C 1 1 4 1968 1 1 17 TYR CA C 2.403 5.229 -1.439 1.00 . A A . 17 TYR CA 1 1 4 1969 1 1 17 TYR CB C 2.895 5.885 -2.738 1.00 . A A . 17 TYR CB 1 1 4 1970 1 1 17 TYR CD1 C 1.528 4.171 -4.011 1.00 . A A . 17 TYR CD1 1 1 4 1971 1 1 17 TYR CD2 C 2.448 6.006 -5.219 1.00 . A A . 17 TYR CD2 1 1 4 1972 1 1 17 TYR CE1 C 0.972 3.679 -5.175 1.00 . A A . 17 TYR CE1 1 1 4 1973 1 1 17 TYR CE2 C 1.896 5.518 -6.388 1.00 . A A . 17 TYR CE2 1 1 4 1974 1 1 17 TYR CG C 2.273 5.344 -4.010 1.00 . A A . 17 TYR CG 1 1 4 1975 1 1 17 TYR CZ C 1.162 4.355 -6.360 1.00 . A A . 17 TYR CZ 1 1 4 1976 1 1 17 TYR H H 0.683 6.431 -1.609 1.00 . A A . 17 TYR H 1 1 4 1977 1 1 17 TYR HA H 2.289 4.175 -1.574 1.00 . A A . 17 TYR HA 1 1 4 1978 1 1 17 TYR HB2 H 2.684 6.942 -2.693 1.00 . A A . 17 TYR HB2 1 1 4 1979 1 1 17 TYR HB3 H 3.968 5.751 -2.827 1.00 . A A . 17 TYR HB3 1 1 4 1980 1 1 17 TYR HD1 H 1.351 3.643 -3.103 1.00 . A A . 17 TYR HD1 1 1 4 1981 1 1 17 TYR HD2 H 3.024 6.921 -5.242 1.00 . A A . 17 TYR HD2 1 1 4 1982 1 1 17 TYR HE1 H 0.393 2.777 -5.163 1.00 . A A . 17 TYR HE1 1 1 4 1983 1 1 17 TYR HE2 H 2.044 6.048 -7.317 1.00 . A A . 17 TYR HE2 1 1 4 1984 1 1 17 TYR HH H 1.243 3.285 -7.956 1.00 . A A . 17 TYR HH 1 1 4 1985 1 1 17 TYR N N 1.114 5.776 -1.021 1.00 . A A . 17 TYR N 1 1 4 1986 1 1 17 TYR O O 4.181 4.499 -0.011 1.00 . A A . 17 TYR O 1 1 4 1987 1 1 17 TYR OH O 0.613 3.866 -7.524 1.00 . A A . 17 TYR OH 1 1 4 1988 1 1 18 ALA C C 4.454 6.126 2.439 1.00 . A A . 18 ALA C 1 1 4 1989 1 1 18 ALA CA C 4.544 6.989 1.169 1.00 . A A . 18 ALA CA 1 1 4 1990 1 1 18 ALA CB C 4.500 8.479 1.499 1.00 . A A . 18 ALA CB 1 1 4 1991 1 1 18 ALA H H 2.894 7.339 -0.115 1.00 . A A . 18 ALA H 1 1 4 1992 1 1 18 ALA HA H 5.505 6.796 0.705 1.00 . A A . 18 ALA HA 1 1 4 1993 1 1 18 ALA HB1 H 4.682 8.642 2.554 1.00 . A A . 18 ALA HB1 1 1 4 1994 1 1 18 ALA HB2 H 3.537 8.893 1.237 1.00 . A A . 18 ALA HB2 1 1 4 1995 1 1 18 ALA HB3 H 5.265 8.987 0.930 1.00 . A A . 18 ALA HB3 1 1 4 1996 1 1 18 ALA N N 3.518 6.640 0.193 1.00 . A A . 18 ALA N 1 1 4 1997 1 1 18 ALA O O 5.418 5.434 2.766 1.00 . A A . 18 ALA O 1 1 4 1998 1 1 19 PRO C C 3.365 3.818 4.104 1.00 . A A . 19 PRO C 1 1 4 1999 1 1 19 PRO CA C 3.151 5.302 4.377 1.00 . A A . 19 PRO CA 1 1 4 2000 1 1 19 PRO CB C 1.705 5.560 4.809 1.00 . A A . 19 PRO CB 1 1 4 2001 1 1 19 PRO CD C 2.102 6.935 2.914 1.00 . A A . 19 PRO CD 1 1 4 2002 1 1 19 PRO CG C 1.368 6.880 4.220 1.00 . A A . 19 PRO CG 1 1 4 2003 1 1 19 PRO HA H 3.823 5.619 5.161 1.00 . A A . 19 PRO HA 1 1 4 2004 1 1 19 PRO HB2 H 1.052 4.792 4.422 1.00 . A A . 19 PRO HB2 1 1 4 2005 1 1 19 PRO HB3 H 1.656 5.583 5.877 1.00 . A A . 19 PRO HB3 1 1 4 2006 1 1 19 PRO HD2 H 1.509 6.521 2.144 1.00 . A A . 19 PRO HD2 1 1 4 2007 1 1 19 PRO HD3 H 2.348 7.951 2.692 1.00 . A A . 19 PRO HD3 1 1 4 2008 1 1 19 PRO HG2 H 0.313 6.940 4.055 1.00 . A A . 19 PRO HG2 1 1 4 2009 1 1 19 PRO HG3 H 1.698 7.674 4.872 1.00 . A A . 19 PRO HG3 1 1 4 2010 1 1 19 PRO N N 3.310 6.129 3.170 1.00 . A A . 19 PRO N 1 1 4 2011 1 1 19 PRO O O 4.035 3.128 4.876 1.00 . A A . 19 PRO O 1 1 4 2012 1 1 20 CYS C C 4.390 1.565 2.394 1.00 . A A . 20 CYS C 1 1 4 2013 1 1 20 CYS CA C 2.930 1.923 2.652 1.00 . A A . 20 CYS CA 1 1 4 2014 1 1 20 CYS CB C 2.070 1.589 1.430 1.00 . A A . 20 CYS CB 1 1 4 2015 1 1 20 CYS H H 2.289 3.932 2.410 1.00 . A A . 20 CYS H 1 1 4 2016 1 1 20 CYS HA H 2.577 1.340 3.494 1.00 . A A . 20 CYS HA 1 1 4 2017 1 1 20 CYS HB2 H 1.057 1.911 1.618 1.00 . A A . 20 CYS HB2 1 1 4 2018 1 1 20 CYS HB3 H 2.451 2.125 0.571 1.00 . A A . 20 CYS HB3 1 1 4 2019 1 1 20 CYS N N 2.808 3.333 2.999 1.00 . A A . 20 CYS N 1 1 4 2020 1 1 20 CYS O O 4.898 0.573 2.920 1.00 . A A . 20 CYS O 1 1 4 2021 1 1 20 CYS SG S 2.046 -0.182 1.010 1.00 . A A . 20 CYS SG 1 1 4 2022 1 1 21 ARG C C 7.316 2.264 2.571 1.00 . A A . 21 ARG C 1 1 4 2023 1 1 21 ARG CA C 6.478 2.199 1.304 1.00 . A A . 21 ARG CA 1 1 4 2024 1 1 21 ARG CB C 6.947 3.269 0.323 1.00 . A A . 21 ARG CB 1 1 4 2025 1 1 21 ARG CD C 8.791 4.264 -1.033 1.00 . A A . 21 ARG CD 1 1 4 2026 1 1 21 ARG CG C 8.413 3.169 -0.054 1.00 . A A . 21 ARG CG 1 1 4 2027 1 1 21 ARG CZ C 10.809 5.148 -2.136 1.00 . A A . 21 ARG CZ 1 1 4 2028 1 1 21 ARG H H 4.606 3.185 1.237 1.00 . A A . 21 ARG H 1 1 4 2029 1 1 21 ARG HA H 6.598 1.226 0.849 1.00 . A A . 21 ARG HA 1 1 4 2030 1 1 21 ARG HB2 H 6.364 3.200 -0.541 1.00 . A A . 21 ARG HB2 1 1 4 2031 1 1 21 ARG HB3 H 6.781 4.240 0.772 1.00 . A A . 21 ARG HB3 1 1 4 2032 1 1 21 ARG HD2 H 8.195 4.155 -1.928 1.00 . A A . 21 ARG HD2 1 1 4 2033 1 1 21 ARG HD3 H 8.581 5.224 -0.576 1.00 . A A . 21 ARG HD3 1 1 4 2034 1 1 21 ARG HE H 10.735 3.449 -1.088 1.00 . A A . 21 ARG HE 1 1 4 2035 1 1 21 ARG HG2 H 9.023 3.273 0.830 1.00 . A A . 21 ARG HG2 1 1 4 2036 1 1 21 ARG HG3 H 8.595 2.209 -0.513 1.00 . A A . 21 ARG HG3 1 1 4 2037 1 1 21 ARG HH11 H 9.150 6.299 -2.391 1.00 . A A . 21 ARG HH11 1 1 4 2038 1 1 21 ARG HH12 H 10.587 6.890 -3.136 1.00 . A A . 21 ARG HH12 1 1 4 2039 1 1 21 ARG HH21 H 12.626 4.256 -2.076 1.00 . A A . 21 ARG HH21 1 1 4 2040 1 1 21 ARG HH22 H 12.558 5.741 -2.966 1.00 . A A . 21 ARG HH22 1 1 4 2041 1 1 21 ARG N N 5.066 2.396 1.610 1.00 . A A . 21 ARG N 1 1 4 2042 1 1 21 ARG NE N 10.202 4.216 -1.404 1.00 . A A . 21 ARG NE 1 1 4 2043 1 1 21 ARG NH1 N 10.123 6.192 -2.587 1.00 . A A . 21 ARG NH1 1 1 4 2044 1 1 21 ARG NH2 N 12.101 5.040 -2.415 1.00 . A A . 21 ARG NH2 1 1 4 2045 1 1 21 ARG O O 8.214 1.451 2.776 1.00 . A A . 21 ARG O 1 1 4 2046 1 1 22 LYS C C 7.590 2.246 5.594 1.00 . A A . 22 LYS C 1 1 4 2047 1 1 22 LYS CA C 7.740 3.440 4.655 1.00 . A A . 22 LYS CA 1 1 4 2048 1 1 22 LYS CB C 7.241 4.715 5.333 1.00 . A A . 22 LYS CB 1 1 4 2049 1 1 22 LYS CD C 7.415 6.339 7.229 1.00 . A A . 22 LYS CD 1 1 4 2050 1 1 22 LYS CE C 8.123 6.698 8.522 1.00 . A A . 22 LYS CE 1 1 4 2051 1 1 22 LYS CG C 7.976 5.070 6.612 1.00 . A A . 22 LYS CG 1 1 4 2052 1 1 22 LYS H H 6.272 3.853 3.192 1.00 . A A . 22 LYS H 1 1 4 2053 1 1 22 LYS HA H 8.787 3.564 4.413 1.00 . A A . 22 LYS HA 1 1 4 2054 1 1 22 LYS HB2 H 7.354 5.536 4.638 1.00 . A A . 22 LYS HB2 1 1 4 2055 1 1 22 LYS HB3 H 6.189 4.596 5.563 1.00 . A A . 22 LYS HB3 1 1 4 2056 1 1 22 LYS HD2 H 7.537 7.155 6.531 1.00 . A A . 22 LYS HD2 1 1 4 2057 1 1 22 LYS HD3 H 6.363 6.196 7.437 1.00 . A A . 22 LYS HD3 1 1 4 2058 1 1 22 LYS HE2 H 8.017 5.881 9.221 1.00 . A A . 22 LYS HE2 1 1 4 2059 1 1 22 LYS HE3 H 9.171 6.863 8.315 1.00 . A A . 22 LYS HE3 1 1 4 2060 1 1 22 LYS HG2 H 7.869 4.262 7.321 1.00 . A A . 22 LYS HG2 1 1 4 2061 1 1 22 LYS HG3 H 9.022 5.220 6.385 1.00 . A A . 22 LYS HG3 1 1 4 2062 1 1 22 LYS HZ1 H 6.542 7.789 9.345 1.00 . A A . 22 LYS HZ1 1 1 4 2063 1 1 22 LYS HZ2 H 7.650 8.732 8.476 1.00 . A A . 22 LYS HZ2 1 1 4 2064 1 1 22 LYS HZ3 H 8.054 8.151 10.011 1.00 . A A . 22 LYS HZ3 1 1 4 2065 1 1 22 LYS N N 7.007 3.234 3.415 1.00 . A A . 22 LYS N 1 1 4 2066 1 1 22 LYS NZ N 7.552 7.926 9.128 1.00 . A A . 22 LYS NZ 1 1 4 2067 1 1 22 LYS O O 8.527 1.877 6.300 1.00 . A A . 22 LYS O 1 1 4 2068 1 1 23 GLN C C 6.628 -0.805 5.912 1.00 . A A . 23 GLN C 1 1 4 2069 1 1 23 GLN CA C 6.149 0.527 6.495 1.00 . A A . 23 GLN CA 1 1 4 2070 1 1 23 GLN CB C 4.657 0.449 6.822 1.00 . A A . 23 GLN CB 1 1 4 2071 1 1 23 GLN CD C 5.031 -0.304 9.202 1.00 . A A . 23 GLN CD 1 1 4 2072 1 1 23 GLN CG C 4.328 -0.584 7.885 1.00 . A A . 23 GLN CG 1 1 4 2073 1 1 23 GLN H H 5.690 1.962 5.014 1.00 . A A . 23 GLN H 1 1 4 2074 1 1 23 GLN HA H 6.692 0.706 7.415 1.00 . A A . 23 GLN HA 1 1 4 2075 1 1 23 GLN HB2 H 4.327 1.416 7.174 1.00 . A A . 23 GLN HB2 1 1 4 2076 1 1 23 GLN HB3 H 4.109 0.199 5.924 1.00 . A A . 23 GLN HB3 1 1 4 2077 1 1 23 GLN HE21 H 3.468 0.742 9.872 1.00 . A A . 23 GLN HE21 1 1 4 2078 1 1 23 GLN HE22 H 4.814 0.607 10.946 1.00 . A A . 23 GLN HE22 1 1 4 2079 1 1 23 GLN HG2 H 3.260 -0.578 8.052 1.00 . A A . 23 GLN HG2 1 1 4 2080 1 1 23 GLN HG3 H 4.625 -1.561 7.535 1.00 . A A . 23 GLN HG3 1 1 4 2081 1 1 23 GLN N N 6.415 1.638 5.599 1.00 . A A . 23 GLN N 1 1 4 2082 1 1 23 GLN NE2 N 4.371 0.419 10.092 1.00 . A A . 23 GLN NE2 1 1 4 2083 1 1 23 GLN O O 7.379 -1.535 6.558 1.00 . A A . 23 GLN O 1 1 4 2084 1 1 23 GLN OE1 O 6.157 -0.747 9.422 1.00 . A A . 23 GLN OE1 1 1 4 2085 1 1 24 THR C C 7.743 -2.462 3.291 1.00 . A A . 24 THR C 1 1 4 2086 1 1 24 THR CA C 6.463 -2.437 4.128 1.00 . A A . 24 THR CA 1 1 4 2087 1 1 24 THR CB C 5.284 -2.900 3.249 1.00 . A A . 24 THR CB 1 1 4 2088 1 1 24 THR CG2 C 3.973 -2.848 4.024 1.00 . A A . 24 THR CG2 1 1 4 2089 1 1 24 THR H H 5.612 -0.497 4.213 1.00 . A A . 24 THR H 1 1 4 2090 1 1 24 THR HA H 6.575 -3.150 4.937 1.00 . A A . 24 THR HA 1 1 4 2091 1 1 24 THR HB H 5.450 -3.922 2.934 1.00 . A A . 24 THR HB 1 1 4 2092 1 1 24 THR HG1 H 4.743 -2.549 1.380 1.00 . A A . 24 THR HG1 1 1 4 2093 1 1 24 THR HG21 H 3.758 -1.828 4.306 1.00 . A A . 24 THR HG21 1 1 4 2094 1 1 24 THR HG22 H 4.050 -3.459 4.912 1.00 . A A . 24 THR HG22 1 1 4 2095 1 1 24 THR HG23 H 3.174 -3.223 3.401 1.00 . A A . 24 THR HG23 1 1 4 2096 1 1 24 THR N N 6.205 -1.119 4.696 1.00 . A A . 24 THR N 1 1 4 2097 1 1 24 THR O O 8.403 -3.497 3.177 1.00 . A A . 24 THR O 1 1 4 2098 1 1 24 THR OG1 O 5.184 -2.068 2.085 1.00 . A A . 24 THR OG1 1 1 4 2099 1 1 25 GLY C C 8.748 -1.217 0.358 1.00 . A A . 25 GLY C 1 1 4 2100 1 1 25 GLY CA C 9.213 -1.268 1.799 1.00 . A A . 25 GLY CA 1 1 4 2101 1 1 25 GLY H H 7.544 -0.516 2.833 1.00 . A A . 25 GLY H 1 1 4 2102 1 1 25 GLY HA2 H 9.782 -0.374 2.007 1.00 . A A . 25 GLY HA2 1 1 4 2103 1 1 25 GLY HA3 H 9.862 -2.126 1.928 1.00 . A A . 25 GLY HA3 1 1 4 2104 1 1 25 GLY N N 8.093 -1.322 2.717 1.00 . A A . 25 GLY N 1 1 4 2105 1 1 25 GLY O O 9.528 -0.944 -0.554 1.00 . A A . 25 GLY O 1 1 4 2106 1 1 26 CYS C C 5.684 -0.534 -1.212 1.00 . A A . 26 CYS C 1 1 4 2107 1 1 26 CYS CA C 6.883 -1.479 -1.178 1.00 . A A . 26 CYS CA 1 1 4 2108 1 1 26 CYS CB C 6.480 -2.905 -1.563 1.00 . A A . 26 CYS CB 1 1 4 2109 1 1 26 CYS H H 6.876 -1.695 0.902 1.00 . A A . 26 CYS H 1 1 4 2110 1 1 26 CYS HA H 7.630 -1.147 -1.882 1.00 . A A . 26 CYS HA 1 1 4 2111 1 1 26 CYS HB2 H 5.746 -3.248 -0.858 1.00 . A A . 26 CYS HB2 1 1 4 2112 1 1 26 CYS HB3 H 6.052 -2.902 -2.555 1.00 . A A . 26 CYS HB3 1 1 4 2113 1 1 26 CYS N N 7.467 -1.480 0.153 1.00 . A A . 26 CYS N 1 1 4 2114 1 1 26 CYS O O 4.691 -0.759 -0.530 1.00 . A A . 26 CYS O 1 1 4 2115 1 1 26 CYS SG S 7.876 -4.089 -1.557 1.00 . A A . 26 CYS SG 1 1 4 2116 1 1 27 PRO C C 3.464 1.290 -2.664 1.00 . A A . 27 PRO C 1 1 4 2117 1 1 27 PRO CA C 4.788 1.633 -1.985 1.00 . A A . 27 PRO CA 1 1 4 2118 1 1 27 PRO CB C 5.495 2.752 -2.750 1.00 . A A . 27 PRO CB 1 1 4 2119 1 1 27 PRO CD C 6.863 0.796 -2.973 1.00 . A A . 27 PRO CD 1 1 4 2120 1 1 27 PRO CG C 6.427 2.051 -3.680 1.00 . A A . 27 PRO CG 1 1 4 2121 1 1 27 PRO HA H 4.588 1.967 -0.977 1.00 . A A . 27 PRO HA 1 1 4 2122 1 1 27 PRO HB2 H 4.775 3.345 -3.301 1.00 . A A . 27 PRO HB2 1 1 4 2123 1 1 27 PRO HB3 H 6.026 3.391 -2.088 1.00 . A A . 27 PRO HB3 1 1 4 2124 1 1 27 PRO HD2 H 6.949 -0.021 -3.674 1.00 . A A . 27 PRO HD2 1 1 4 2125 1 1 27 PRO HD3 H 7.802 0.959 -2.466 1.00 . A A . 27 PRO HD3 1 1 4 2126 1 1 27 PRO HG2 H 5.913 1.804 -4.597 1.00 . A A . 27 PRO HG2 1 1 4 2127 1 1 27 PRO HG3 H 7.281 2.680 -3.886 1.00 . A A . 27 PRO HG3 1 1 4 2128 1 1 27 PRO N N 5.777 0.545 -2.002 1.00 . A A . 27 PRO N 1 1 4 2129 1 1 27 PRO O O 2.449 1.929 -2.395 1.00 . A A . 27 PRO O 1 1 4 2130 1 1 28 ASN C C 1.075 -0.344 -3.572 1.00 . A A . 28 ASN C 1 1 4 2131 1 1 28 ASN CA C 2.335 -0.038 -4.381 1.00 . A A . 28 ASN CA 1 1 4 2132 1 1 28 ASN CB C 2.666 -1.210 -5.308 1.00 . A A . 28 ASN CB 1 1 4 2133 1 1 28 ASN CG C 3.689 -0.832 -6.365 1.00 . A A . 28 ASN CG 1 1 4 2134 1 1 28 ASN H H 4.327 -0.197 -3.693 1.00 . A A . 28 ASN H 1 1 4 2135 1 1 28 ASN HA H 2.144 0.836 -4.996 1.00 . A A . 28 ASN HA 1 1 4 2136 1 1 28 ASN HB2 H 3.053 -2.030 -4.722 1.00 . A A . 28 ASN HB2 1 1 4 2137 1 1 28 ASN HB3 H 1.771 -1.528 -5.821 1.00 . A A . 28 ASN HB3 1 1 4 2138 1 1 28 ASN HD21 H 4.450 -2.678 -6.352 1.00 . A A . 28 ASN HD21 1 1 4 2139 1 1 28 ASN HD22 H 5.189 -1.554 -7.436 1.00 . A A . 28 ASN HD22 1 1 4 2140 1 1 28 ASN N N 3.482 0.280 -3.528 1.00 . A A . 28 ASN N 1 1 4 2141 1 1 28 ASN ND2 N 4.523 -1.783 -6.754 1.00 . A A . 28 ASN ND2 1 1 4 2142 1 1 28 ASN O O 0.930 -1.428 -2.996 1.00 . A A . 28 ASN O 1 1 4 2143 1 1 28 ASN OD1 O 3.731 0.310 -6.826 1.00 . A A . 28 ASN OD1 1 1 4 2144 1 1 29 ALA C C -2.196 1.275 -3.574 1.00 . A A . 29 ALA C 1 1 4 2145 1 1 29 ALA CA C -1.100 0.497 -2.848 1.00 . A A . 29 ALA CA 1 1 4 2146 1 1 29 ALA CB C -0.968 0.996 -1.415 1.00 . A A . 29 ALA CB 1 1 4 2147 1 1 29 ALA H H 0.349 1.451 -4.014 1.00 . A A . 29 ALA H 1 1 4 2148 1 1 29 ALA HA H -1.381 -0.549 -2.818 1.00 . A A . 29 ALA HA 1 1 4 2149 1 1 29 ALA HB1 H -1.738 0.547 -0.805 1.00 . A A . 29 ALA HB1 1 1 4 2150 1 1 29 ALA HB2 H -1.065 2.075 -1.382 1.00 . A A . 29 ALA HB2 1 1 4 2151 1 1 29 ALA HB3 H 0.000 0.720 -1.030 1.00 . A A . 29 ALA HB3 1 1 4 2152 1 1 29 ALA N N 0.168 0.628 -3.546 1.00 . A A . 29 ALA N 1 1 4 2153 1 1 29 ALA O O -1.912 2.163 -4.378 1.00 . A A . 29 ALA O 1 1 4 2154 1 1 30 LYS C C -5.708 1.661 -2.819 1.00 . A A . 30 LYS C 1 1 4 2155 1 1 30 LYS CA C -4.595 1.620 -3.857 1.00 . A A . 30 LYS CA 1 1 4 2156 1 1 30 LYS CB C -5.091 0.915 -5.125 1.00 . A A . 30 LYS CB 1 1 4 2157 1 1 30 LYS CD C -6.862 0.772 -6.925 1.00 . A A . 30 LYS CD 1 1 4 2158 1 1 30 LYS CE C -6.117 1.134 -8.205 1.00 . A A . 30 LYS CE 1 1 4 2159 1 1 30 LYS CG C -6.347 1.540 -5.716 1.00 . A A . 30 LYS CG 1 1 4 2160 1 1 30 LYS H H -3.600 0.190 -2.654 1.00 . A A . 30 LYS H 1 1 4 2161 1 1 30 LYS HA H -4.309 2.637 -4.104 1.00 . A A . 30 LYS HA 1 1 4 2162 1 1 30 LYS HB2 H -4.307 0.956 -5.857 1.00 . A A . 30 LYS HB2 1 1 4 2163 1 1 30 LYS HB3 H -5.299 -0.120 -4.889 1.00 . A A . 30 LYS HB3 1 1 4 2164 1 1 30 LYS HD2 H -6.760 -0.291 -6.752 1.00 . A A . 30 LYS HD2 1 1 4 2165 1 1 30 LYS HD3 H -7.908 1.008 -7.058 1.00 . A A . 30 LYS HD3 1 1 4 2166 1 1 30 LYS HE2 H -6.679 0.754 -9.044 1.00 . A A . 30 LYS HE2 1 1 4 2167 1 1 30 LYS HE3 H -6.051 2.212 -8.285 1.00 . A A . 30 LYS HE3 1 1 4 2168 1 1 30 LYS HG2 H -7.128 1.540 -4.971 1.00 . A A . 30 LYS HG2 1 1 4 2169 1 1 30 LYS HG3 H -6.129 2.560 -6.003 1.00 . A A . 30 LYS HG3 1 1 4 2170 1 1 30 LYS HZ1 H -4.522 0.280 -9.232 1.00 . A A . 30 LYS HZ1 1 1 4 2171 1 1 30 LYS HZ2 H -4.666 -0.279 -7.644 1.00 . A A . 30 LYS HZ2 1 1 4 2172 1 1 30 LYS HZ3 H -4.055 1.271 -7.949 1.00 . A A . 30 LYS HZ3 1 1 4 2173 1 1 30 LYS N N -3.442 0.924 -3.296 1.00 . A A . 30 LYS N 1 1 4 2174 1 1 30 LYS NZ N -4.749 0.561 -8.256 1.00 . A A . 30 LYS NZ 1 1 4 2175 1 1 30 LYS O O -5.883 0.707 -2.064 1.00 . A A . 30 LYS O 1 1 4 2176 1 1 31 CYS C C -8.815 2.274 -2.315 1.00 . A A . 31 CYS C 1 1 4 2177 1 1 31 CYS CA C -7.519 2.872 -1.783 1.00 . A A . 31 CYS CA 1 1 4 2178 1 1 31 CYS CB C -7.720 4.325 -1.332 1.00 . A A . 31 CYS CB 1 1 4 2179 1 1 31 CYS H H -6.283 3.502 -3.390 1.00 . A A . 31 CYS H 1 1 4 2180 1 1 31 CYS HA H -7.236 2.316 -0.933 1.00 . A A . 31 CYS HA 1 1 4 2181 1 1 31 CYS HB2 H -8.292 4.339 -0.421 1.00 . A A . 31 CYS HB2 1 1 4 2182 1 1 31 CYS HB3 H -6.765 4.748 -1.143 1.00 . A A . 31 CYS HB3 1 1 4 2183 1 1 31 CYS N N -6.456 2.756 -2.768 1.00 . A A . 31 CYS N 1 1 4 2184 1 1 31 CYS O O -9.464 2.822 -3.207 1.00 . A A . 31 CYS O 1 1 4 2185 1 1 31 CYS SG S -8.527 5.425 -2.540 1.00 . A A . 31 CYS SG 1 1 4 2186 1 1 32 ILE C C -11.263 0.348 -0.862 1.00 . A A . 32 ILE C 1 1 4 2187 1 1 32 ILE CA C -10.408 0.465 -2.110 1.00 . A A . 32 ILE CA 1 1 4 2188 1 1 32 ILE CB C -10.174 -0.929 -2.721 1.00 . A A . 32 ILE CB 1 1 4 2189 1 1 32 ILE CD1 C -9.038 -3.163 -2.324 1.00 . A A . 32 ILE CD1 1 1 4 2190 1 1 32 ILE CG1 C -9.252 -1.756 -1.825 1.00 . A A . 32 ILE CG1 1 1 4 2191 1 1 32 ILE CG2 C -9.595 -0.805 -4.126 1.00 . A A . 32 ILE CG2 1 1 4 2192 1 1 32 ILE H H -8.592 0.723 -1.083 1.00 . A A . 32 ILE H 1 1 4 2193 1 1 32 ILE HA H -10.950 1.067 -2.837 1.00 . A A . 32 ILE HA 1 1 4 2194 1 1 32 ILE HB H -11.129 -1.433 -2.807 1.00 . A A . 32 ILE HB 1 1 4 2195 1 1 32 ILE HD11 H -9.453 -3.303 -3.309 1.00 . A A . 32 ILE HD11 1 1 4 2196 1 1 32 ILE HD12 H -9.523 -3.854 -1.653 1.00 . A A . 32 ILE HD12 1 1 4 2197 1 1 32 ILE HD13 H -7.978 -3.375 -2.354 1.00 . A A . 32 ILE HD13 1 1 4 2198 1 1 32 ILE HG12 H -8.283 -1.283 -1.767 1.00 . A A . 32 ILE HG12 1 1 4 2199 1 1 32 ILE HG13 H -9.673 -1.824 -0.832 1.00 . A A . 32 ILE HG13 1 1 4 2200 1 1 32 ILE HG21 H -9.587 -1.768 -4.609 1.00 . A A . 32 ILE HG21 1 1 4 2201 1 1 32 ILE HG22 H -8.586 -0.421 -4.074 1.00 . A A . 32 ILE HG22 1 1 4 2202 1 1 32 ILE HG23 H -10.203 -0.125 -4.710 1.00 . A A . 32 ILE HG23 1 1 4 2203 1 1 32 ILE N N -9.163 1.123 -1.778 1.00 . A A . 32 ILE N 1 1 4 2204 1 1 32 ILE O O -10.743 0.139 0.237 1.00 . A A . 32 ILE O 1 1 4 2205 1 1 33 ASN C C -13.064 1.758 0.994 1.00 . A A . 33 ASN C 1 1 4 2206 1 1 33 ASN CA C -13.499 0.614 0.082 1.00 . A A . 33 ASN CA 1 1 4 2207 1 1 33 ASN CB C -13.579 -0.684 0.894 1.00 . A A . 33 ASN CB 1 1 4 2208 1 1 33 ASN CG C -13.974 -1.889 0.066 1.00 . A A . 33 ASN CG 1 1 4 2209 1 1 33 ASN H H -12.915 0.661 -1.944 1.00 . A A . 33 ASN H 1 1 4 2210 1 1 33 ASN HA H -14.475 0.841 -0.321 1.00 . A A . 33 ASN HA 1 1 4 2211 1 1 33 ASN HB2 H -12.619 -0.883 1.348 1.00 . A A . 33 ASN HB2 1 1 4 2212 1 1 33 ASN HB3 H -14.316 -0.562 1.677 1.00 . A A . 33 ASN HB3 1 1 4 2213 1 1 33 ASN HD21 H -12.927 -3.092 1.271 1.00 . A A . 33 ASN HD21 1 1 4 2214 1 1 33 ASN HD22 H -13.742 -3.852 -0.049 1.00 . A A . 33 ASN HD22 1 1 4 2215 1 1 33 ASN N N -12.567 0.493 -1.039 1.00 . A A . 33 ASN N 1 1 4 2216 1 1 33 ASN ND2 N -13.500 -3.058 0.471 1.00 . A A . 33 ASN ND2 1 1 4 2217 1 1 33 ASN O O -13.172 1.664 2.217 1.00 . A A . 33 ASN O 1 1 4 2218 1 1 33 ASN OD1 O -14.689 -1.777 -0.930 1.00 . A A . 33 ASN OD1 1 1 4 2219 1 1 34 LYS C C -10.865 3.583 2.042 1.00 . A A . 34 LYS C 1 1 4 2220 1 1 34 LYS CA C -12.015 3.979 1.111 1.00 . A A . 34 LYS CA 1 1 4 2221 1 1 34 LYS CB C -13.123 4.677 1.904 1.00 . A A . 34 LYS CB 1 1 4 2222 1 1 34 LYS CD C -15.297 5.922 1.842 1.00 . A A . 34 LYS CD 1 1 4 2223 1 1 34 LYS CE C -16.197 6.825 1.018 1.00 . A A . 34 LYS CE 1 1 4 2224 1 1 34 LYS CG C -14.133 5.393 1.026 1.00 . A A . 34 LYS CG 1 1 4 2225 1 1 34 LYS H H -12.474 2.841 -0.597 1.00 . A A . 34 LYS H 1 1 4 2226 1 1 34 LYS HA H -11.632 4.663 0.390 1.00 . A A . 34 LYS HA 1 1 4 2227 1 1 34 LYS HB2 H -13.643 3.951 2.507 1.00 . A A . 34 LYS HB2 1 1 4 2228 1 1 34 LYS HB3 H -12.681 5.418 2.559 1.00 . A A . 34 LYS HB3 1 1 4 2229 1 1 34 LYS HD2 H -15.879 5.088 2.203 1.00 . A A . 34 LYS HD2 1 1 4 2230 1 1 34 LYS HD3 H -14.917 6.488 2.683 1.00 . A A . 34 LYS HD3 1 1 4 2231 1 1 34 LYS HE2 H -16.534 6.288 0.142 1.00 . A A . 34 LYS HE2 1 1 4 2232 1 1 34 LYS HE3 H -17.052 7.099 1.618 1.00 . A A . 34 LYS HE3 1 1 4 2233 1 1 34 LYS HG2 H -13.634 6.214 0.535 1.00 . A A . 34 LYS HG2 1 1 4 2234 1 1 34 LYS HG3 H -14.510 4.703 0.283 1.00 . A A . 34 LYS HG3 1 1 4 2235 1 1 34 LYS HZ1 H -14.788 7.841 -0.140 1.00 . A A . 34 LYS HZ1 1 1 4 2236 1 1 34 LYS HZ2 H -15.017 8.516 1.395 1.00 . A A . 34 LYS HZ2 1 1 4 2237 1 1 34 LYS HZ3 H -16.181 8.735 0.190 1.00 . A A . 34 LYS HZ3 1 1 4 2238 1 1 34 LYS N N -12.547 2.827 0.382 1.00 . A A . 34 LYS N 1 1 4 2239 1 1 34 LYS NZ N -15.495 8.062 0.588 1.00 . A A . 34 LYS NZ 1 1 4 2240 1 1 34 LYS O O -10.637 4.225 3.064 1.00 . A A . 34 LYS O 1 1 4 2241 1 1 35 SER C C -7.852 1.672 1.560 1.00 . A A . 35 SER C 1 1 4 2242 1 1 35 SER CA C -9.005 2.077 2.474 1.00 . A A . 35 SER CA 1 1 4 2243 1 1 35 SER CB C -9.422 0.901 3.363 1.00 . A A . 35 SER CB 1 1 4 2244 1 1 35 SER H H -10.344 2.058 0.855 1.00 . A A . 35 SER H 1 1 4 2245 1 1 35 SER HA H -8.672 2.889 3.112 1.00 . A A . 35 SER HA 1 1 4 2246 1 1 35 SER HB2 H -10.263 1.198 3.971 1.00 . A A . 35 SER HB2 1 1 4 2247 1 1 35 SER HB3 H -9.710 0.063 2.743 1.00 . A A . 35 SER HB3 1 1 4 2248 1 1 35 SER HG H -8.687 -0.188 4.817 1.00 . A A . 35 SER HG 1 1 4 2249 1 1 35 SER N N -10.138 2.532 1.681 1.00 . A A . 35 SER N 1 1 4 2250 1 1 35 SER O O -8.018 0.836 0.672 1.00 . A A . 35 SER O 1 1 4 2251 1 1 35 SER OG O -8.369 0.494 4.220 1.00 . A A . 35 SER OG 1 1 4 2252 1 1 36 CYS C C -4.959 0.613 1.251 1.00 . A A . 36 CYS C 1 1 4 2253 1 1 36 CYS CA C -5.525 1.989 0.937 1.00 . A A . 36 CYS CA 1 1 4 2254 1 1 36 CYS CB C -4.449 3.066 1.117 1.00 . A A . 36 CYS CB 1 1 4 2255 1 1 36 CYS H H -6.610 2.949 2.482 1.00 . A A . 36 CYS H 1 1 4 2256 1 1 36 CYS HA H -5.823 1.997 -0.082 1.00 . A A . 36 CYS HA 1 1 4 2257 1 1 36 CYS HB2 H -4.237 3.182 2.169 1.00 . A A . 36 CYS HB2 1 1 4 2258 1 1 36 CYS HB3 H -3.545 2.766 0.603 1.00 . A A . 36 CYS HB3 1 1 4 2259 1 1 36 CYS N N -6.688 2.277 1.763 1.00 . A A . 36 CYS N 1 1 4 2260 1 1 36 CYS O O -4.313 0.411 2.279 1.00 . A A . 36 CYS O 1 1 4 2261 1 1 36 CYS SG S -4.930 4.700 0.466 1.00 . A A . 36 CYS SG 1 1 4 2262 1 1 37 LYS C C -3.399 -1.790 -0.302 1.00 . A A . 37 LYS C 1 1 4 2263 1 1 37 LYS CA C -4.682 -1.670 0.496 1.00 . A A . 37 LYS CA 1 1 4 2264 1 1 37 LYS CB C -5.681 -2.728 0.026 1.00 . A A . 37 LYS CB 1 1 4 2265 1 1 37 LYS CD C -7.631 -4.209 0.590 1.00 . A A . 37 LYS CD 1 1 4 2266 1 1 37 LYS CE C -6.782 -5.466 0.459 1.00 . A A . 37 LYS CE 1 1 4 2267 1 1 37 LYS CG C -6.795 -3.012 1.020 1.00 . A A . 37 LYS CG 1 1 4 2268 1 1 37 LYS H H -5.760 -0.119 -0.431 1.00 . A A . 37 LYS H 1 1 4 2269 1 1 37 LYS HA H -4.460 -1.853 1.545 1.00 . A A . 37 LYS HA 1 1 4 2270 1 1 37 LYS HB2 H -6.130 -2.396 -0.900 1.00 . A A . 37 LYS HB2 1 1 4 2271 1 1 37 LYS HB3 H -5.134 -3.637 -0.159 1.00 . A A . 37 LYS HB3 1 1 4 2272 1 1 37 LYS HD2 H -8.397 -4.384 1.329 1.00 . A A . 37 LYS HD2 1 1 4 2273 1 1 37 LYS HD3 H -8.079 -4.002 -0.337 1.00 . A A . 37 LYS HD3 1 1 4 2274 1 1 37 LYS HE2 H -6.007 -5.310 -0.270 1.00 . A A . 37 LYS HE2 1 1 4 2275 1 1 37 LYS HE3 H -6.337 -5.691 1.417 1.00 . A A . 37 LYS HE3 1 1 4 2276 1 1 37 LYS HG2 H -6.363 -3.217 1.990 1.00 . A A . 37 LYS HG2 1 1 4 2277 1 1 37 LYS HG3 H -7.434 -2.144 1.085 1.00 . A A . 37 LYS HG3 1 1 4 2278 1 1 37 LYS HZ1 H -8.337 -6.840 0.701 1.00 . A A . 37 LYS HZ1 1 1 4 2279 1 1 37 LYS HZ2 H -6.968 -7.474 -0.063 1.00 . A A . 37 LYS HZ2 1 1 4 2280 1 1 37 LYS HZ3 H -8.009 -6.451 -0.915 1.00 . A A . 37 LYS HZ3 1 1 4 2281 1 1 37 LYS N N -5.225 -0.335 0.368 1.00 . A A . 37 LYS N 1 1 4 2282 1 1 37 LYS NZ N -7.580 -6.637 0.015 1.00 . A A . 37 LYS NZ 1 1 4 2283 1 1 37 LYS O O -3.331 -1.368 -1.460 1.00 . A A . 37 LYS O 1 1 4 2284 1 1 38 CYS C C -1.081 -3.982 -0.917 1.00 . A A . 38 CYS C 1 1 4 2285 1 1 38 CYS CA C -1.112 -2.583 -0.322 1.00 . A A . 38 CYS CA 1 1 4 2286 1 1 38 CYS CB C 0.034 -2.420 0.682 1.00 . A A . 38 CYS CB 1 1 4 2287 1 1 38 CYS H H -2.508 -2.665 1.256 1.00 . A A . 38 CYS H 1 1 4 2288 1 1 38 CYS HA H -0.980 -1.857 -1.116 1.00 . A A . 38 CYS HA 1 1 4 2289 1 1 38 CYS HB2 H -0.105 -3.127 1.489 1.00 . A A . 38 CYS HB2 1 1 4 2290 1 1 38 CYS HB3 H 0.971 -2.633 0.186 1.00 . A A . 38 CYS HB3 1 1 4 2291 1 1 38 CYS N N -2.389 -2.353 0.327 1.00 . A A . 38 CYS N 1 1 4 2292 1 1 38 CYS O O -1.710 -4.902 -0.394 1.00 . A A . 38 CYS O 1 1 4 2293 1 1 38 CYS SG S 0.145 -0.761 1.428 1.00 . A A . 38 CYS SG 1 1 4 2294 1 1 39 TYR C C 0.913 -6.242 -2.021 1.00 . A A . 39 TYR C 1 1 4 2295 1 1 39 TYR CA C -0.221 -5.445 -2.653 1.00 . A A . 39 TYR CA 1 1 4 2296 1 1 39 TYR CB C 0.049 -5.283 -4.152 1.00 . A A . 39 TYR CB 1 1 4 2297 1 1 39 TYR CD1 C -2.230 -4.839 -5.149 1.00 . A A . 39 TYR CD1 1 1 4 2298 1 1 39 TYR CD2 C -0.576 -3.129 -5.296 1.00 . A A . 39 TYR CD2 1 1 4 2299 1 1 39 TYR CE1 C -3.127 -4.034 -5.828 1.00 . A A . 39 TYR CE1 1 1 4 2300 1 1 39 TYR CE2 C -1.466 -2.319 -5.969 1.00 . A A . 39 TYR CE2 1 1 4 2301 1 1 39 TYR CG C -0.941 -4.400 -4.874 1.00 . A A . 39 TYR CG 1 1 4 2302 1 1 39 TYR CZ C -2.738 -2.773 -6.234 1.00 . A A . 39 TYR CZ 1 1 4 2303 1 1 39 TYR H H 0.144 -3.372 -2.383 1.00 . A A . 39 TYR H 1 1 4 2304 1 1 39 TYR HA H -1.147 -5.994 -2.526 1.00 . A A . 39 TYR HA 1 1 4 2305 1 1 39 TYR HB2 H 1.039 -4.863 -4.291 1.00 . A A . 39 TYR HB2 1 1 4 2306 1 1 39 TYR HB3 H 0.021 -6.261 -4.617 1.00 . A A . 39 TYR HB3 1 1 4 2307 1 1 39 TYR HD1 H -2.533 -5.826 -4.828 1.00 . A A . 39 TYR HD1 1 1 4 2308 1 1 39 TYR HD2 H 0.415 -2.775 -5.085 1.00 . A A . 39 TYR HD2 1 1 4 2309 1 1 39 TYR HE1 H -4.125 -4.391 -6.033 1.00 . A A . 39 TYR HE1 1 1 4 2310 1 1 39 TYR HE2 H -1.162 -1.333 -6.287 1.00 . A A . 39 TYR HE2 1 1 4 2311 1 1 39 TYR HH H -3.604 -2.197 -7.851 1.00 . A A . 39 TYR HH 1 1 4 2312 1 1 39 TYR N N -0.346 -4.143 -2.008 1.00 . A A . 39 TYR N 1 1 4 2313 1 1 39 TYR O O 1.371 -7.241 -2.572 1.00 . A A . 39 TYR O 1 1 4 2314 1 1 39 TYR OH O -3.618 -1.966 -6.919 1.00 . A A . 39 TYR OH 1 1 4 2315 1 1 40 GLY C C 3.764 -5.998 -0.990 1.00 . A A . 40 GLY C 1 1 4 2316 1 1 40 GLY CA C 2.516 -6.391 -0.232 1.00 . A A . 40 GLY CA 1 1 4 2317 1 1 40 GLY H H 0.958 -5.033 -0.416 1.00 . A A . 40 GLY H 1 1 4 2318 1 1 40 GLY HA2 H 2.593 -6.026 0.784 1.00 . A A . 40 GLY HA2 1 1 4 2319 1 1 40 GLY HA3 H 2.422 -7.470 -0.211 1.00 . A A . 40 GLY HA3 1 1 4 2320 1 1 40 GLY N N 1.345 -5.809 -0.844 1.00 . A A . 40 GLY N 1 1 4 2321 1 1 40 GLY O O 4.141 -4.830 -1.000 1.00 . A A . 40 GLY O 1 1 4 2322 1 1 41 CYS C C 5.447 -7.589 -3.734 1.00 . A A . 41 CYS C 1 1 4 2323 1 1 41 CYS CA C 5.531 -6.708 -2.496 1.00 . A A . 41 CYS CA 1 1 4 2324 1 1 41 CYS CB C 6.848 -6.938 -1.753 1.00 . A A . 41 CYS CB 1 1 4 2325 1 1 41 CYS H H 4.038 -7.887 -1.582 1.00 . A A . 41 CYS H 1 1 4 2326 1 1 41 CYS HA H 5.491 -5.674 -2.827 1.00 . A A . 41 CYS HA 1 1 4 2327 1 1 41 CYS HB2 H 6.813 -7.899 -1.263 1.00 . A A . 41 CYS HB2 1 1 4 2328 1 1 41 CYS HB3 H 7.670 -6.929 -2.459 1.00 . A A . 41 CYS HB3 1 1 4 2329 1 1 41 CYS N N 4.394 -6.967 -1.629 1.00 . A A . 41 CYS N 1 1 4 2330 1 1 41 CYS O O 5.469 -7.045 -4.860 1.00 . A A . 41 CYS O 1 1 4 2331 1 1 41 CYS OXT O 5.300 -8.819 -3.579 1.00 . A A . 41 CYS OXT 1 1 4 2332 1 1 41 CYS SG S 7.210 -5.681 -0.480 1.00 . A A . 41 CYS SG 1 1 5 2333 1 1 1 TRP C C 4.451 4.349 10.196 1.00 . A A . 1 TRP C 1 1 5 2334 1 1 1 TRP CA C 5.281 3.562 11.207 1.00 . A A . 1 TRP CA 1 1 5 2335 1 1 1 TRP CB C 6.495 2.930 10.518 1.00 . A A . 1 TRP CB 1 1 5 2336 1 1 1 TRP CD1 C 7.516 0.897 11.699 1.00 . A A . 1 TRP CD1 1 1 5 2337 1 1 1 TRP CD2 C 8.371 2.864 12.345 1.00 . A A . 1 TRP CD2 1 1 5 2338 1 1 1 TRP CE2 C 9.011 1.839 13.062 1.00 . A A . 1 TRP CE2 1 1 5 2339 1 1 1 TRP CE3 C 8.748 4.189 12.581 1.00 . A A . 1 TRP CE3 1 1 5 2340 1 1 1 TRP CG C 7.421 2.241 11.473 1.00 . A A . 1 TRP CG 1 1 5 2341 1 1 1 TRP CH2 C 10.347 3.402 14.222 1.00 . A A . 1 TRP CH2 1 1 5 2342 1 1 1 TRP CZ2 C 10.002 2.097 14.006 1.00 . A A . 1 TRP CZ2 1 1 5 2343 1 1 1 TRP CZ3 C 9.728 4.444 13.521 1.00 . A A . 1 TRP CZ3 1 1 5 2344 1 1 1 TRP H1 H 4.061 1.897 11.117 1.00 . A A . 1 TRP H1 1 1 5 2345 1 1 1 TRP H2 H 3.703 2.983 12.397 1.00 . A A . 1 TRP H2 1 1 5 2346 1 1 1 TRP H3 H 5.062 1.971 12.504 1.00 . A A . 1 TRP H3 1 1 5 2347 1 1 1 TRP HA H 5.624 4.244 11.973 1.00 . A A . 1 TRP HA 1 1 5 2348 1 1 1 TRP HB2 H 6.156 2.209 9.788 1.00 . A A . 1 TRP HB2 1 1 5 2349 1 1 1 TRP HB3 H 7.059 3.703 10.017 1.00 . A A . 1 TRP HB3 1 1 5 2350 1 1 1 TRP HD1 H 6.922 0.151 11.193 1.00 . A A . 1 TRP HD1 1 1 5 2351 1 1 1 TRP HE1 H 8.731 -0.238 12.983 1.00 . A A . 1 TRP HE1 1 1 5 2352 1 1 1 TRP HE3 H 8.282 5.006 12.050 1.00 . A A . 1 TRP HE3 1 1 5 2353 1 1 1 TRP HH2 H 11.108 3.648 14.948 1.00 . A A . 1 TRP HH2 1 1 5 2354 1 1 1 TRP HZ2 H 10.489 1.304 14.555 1.00 . A A . 1 TRP HZ2 1 1 5 2355 1 1 1 TRP HZ3 H 10.029 5.462 13.721 1.00 . A A . 1 TRP HZ3 1 1 5 2356 1 1 1 TRP N N 4.459 2.517 11.857 1.00 . A A . 1 TRP N 1 1 5 2357 1 1 1 TRP NE1 N 8.474 0.648 12.652 1.00 . A A . 1 TRP NE1 1 1 5 2358 1 1 1 TRP O O 4.893 4.610 9.077 1.00 . A A . 1 TRP O 1 1 5 2359 1 1 2 CYS C C 2.674 6.943 9.692 1.00 . A A . 2 CYS C 1 1 5 2360 1 1 2 CYS CA C 2.340 5.457 9.726 1.00 . A A . 2 CYS CA 1 1 5 2361 1 1 2 CYS CB C 0.898 5.259 10.196 1.00 . A A . 2 CYS CB 1 1 5 2362 1 1 2 CYS H H 2.955 4.530 11.515 1.00 . A A . 2 CYS H 1 1 5 2363 1 1 2 CYS HA H 2.433 5.042 8.727 1.00 . A A . 2 CYS HA 1 1 5 2364 1 1 2 CYS HB2 H 0.643 4.214 10.116 1.00 . A A . 2 CYS HB2 1 1 5 2365 1 1 2 CYS HB3 H 0.825 5.558 11.232 1.00 . A A . 2 CYS HB3 1 1 5 2366 1 1 2 CYS N N 3.253 4.741 10.603 1.00 . A A . 2 CYS N 1 1 5 2367 1 1 2 CYS O O 2.840 7.581 10.734 1.00 . A A . 2 CYS O 1 1 5 2368 1 1 2 CYS SG S -0.323 6.229 9.255 1.00 . A A . 2 CYS SG 1 1 5 2369 1 1 3 SER C C 1.770 9.713 8.430 1.00 . A A . 3 SER C 1 1 5 2370 1 1 3 SER CA C 3.052 8.893 8.277 1.00 . A A . 3 SER CA 1 1 5 2371 1 1 3 SER CB C 3.652 9.110 6.888 1.00 . A A . 3 SER CB 1 1 5 2372 1 1 3 SER H H 2.646 6.906 7.687 1.00 . A A . 3 SER H 1 1 5 2373 1 1 3 SER HA H 3.768 9.222 9.020 1.00 . A A . 3 SER HA 1 1 5 2374 1 1 3 SER HB2 H 2.907 8.971 6.128 1.00 . A A . 3 SER HB2 1 1 5 2375 1 1 3 SER HB3 H 4.043 10.114 6.824 1.00 . A A . 3 SER HB3 1 1 5 2376 1 1 3 SER HG H 4.995 8.274 5.735 1.00 . A A . 3 SER HG 1 1 5 2377 1 1 3 SER N N 2.785 7.479 8.480 1.00 . A A . 3 SER N 1 1 5 2378 1 1 3 SER O O 1.656 10.542 9.329 1.00 . A A . 3 SER O 1 1 5 2379 1 1 3 SER OG O 4.711 8.201 6.649 1.00 . A A . 3 SER OG 1 1 5 2380 1 1 4 THR C C -1.571 9.277 6.999 1.00 . A A . 4 THR C 1 1 5 2381 1 1 4 THR CA C -0.476 10.175 7.592 1.00 . A A . 4 THR CA 1 1 5 2382 1 1 4 THR CB C -0.411 11.525 6.828 1.00 . A A . 4 THR CB 1 1 5 2383 1 1 4 THR CG2 C -1.623 12.398 7.128 1.00 . A A . 4 THR CG2 1 1 5 2384 1 1 4 THR H H 0.952 8.814 6.836 1.00 . A A . 4 THR H 1 1 5 2385 1 1 4 THR HA H -0.721 10.364 8.632 1.00 . A A . 4 THR HA 1 1 5 2386 1 1 4 THR HB H -0.374 11.343 5.761 1.00 . A A . 4 THR HB 1 1 5 2387 1 1 4 THR HG1 H 0.792 12.396 8.165 1.00 . A A . 4 THR HG1 1 1 5 2388 1 1 4 THR HG21 H -2.445 12.112 6.491 1.00 . A A . 4 THR HG21 1 1 5 2389 1 1 4 THR HG22 H -1.373 13.431 6.937 1.00 . A A . 4 THR HG22 1 1 5 2390 1 1 4 THR HG23 H -1.915 12.291 8.165 1.00 . A A . 4 THR HG23 1 1 5 2391 1 1 4 THR N N 0.809 9.484 7.539 1.00 . A A . 4 THR N 1 1 5 2392 1 1 4 THR O O -2.496 9.738 6.339 1.00 . A A . 4 THR O 1 1 5 2393 1 1 4 THR OG1 O 0.774 12.240 7.211 1.00 . A A . 4 THR OG1 1 1 5 2394 1 1 5 CYS C C -3.672 6.898 7.500 1.00 . A A . 5 CYS C 1 1 5 2395 1 1 5 CYS CA C -2.382 6.999 6.688 1.00 . A A . 5 CYS CA 1 1 5 2396 1 1 5 CYS CB C -1.714 5.622 6.597 1.00 . A A . 5 CYS CB 1 1 5 2397 1 1 5 CYS H H -0.723 7.680 7.789 1.00 . A A . 5 CYS H 1 1 5 2398 1 1 5 CYS HA H -2.620 7.308 5.692 1.00 . A A . 5 CYS HA 1 1 5 2399 1 1 5 CYS HB2 H -2.357 4.955 6.043 1.00 . A A . 5 CYS HB2 1 1 5 2400 1 1 5 CYS HB3 H -0.782 5.724 6.072 1.00 . A A . 5 CYS HB3 1 1 5 2401 1 1 5 CYS N N -1.465 7.980 7.265 1.00 . A A . 5 CYS N 1 1 5 2402 1 1 5 CYS O O -4.590 6.164 7.136 1.00 . A A . 5 CYS O 1 1 5 2403 1 1 5 CYS SG S -1.360 4.833 8.208 1.00 . A A . 5 CYS SG 1 1 5 2404 1 1 6 LEU C C -5.975 8.565 8.793 1.00 . A A . 6 LEU C 1 1 5 2405 1 1 6 LEU CA C -4.932 7.653 9.434 1.00 . A A . 6 LEU CA 1 1 5 2406 1 1 6 LEU CB C -4.562 8.129 10.854 1.00 . A A . 6 LEU CB 1 1 5 2407 1 1 6 LEU CD1 C -6.761 8.897 11.854 1.00 . A A . 6 LEU CD1 1 1 5 2408 1 1 6 LEU CD2 C -6.139 6.476 11.915 1.00 . A A . 6 LEU CD2 1 1 5 2409 1 1 6 LEU CG C -5.611 7.904 11.961 1.00 . A A . 6 LEU CG 1 1 5 2410 1 1 6 LEU H H -2.991 8.211 8.857 1.00 . A A . 6 LEU H 1 1 5 2411 1 1 6 LEU HA H -5.323 6.647 9.475 1.00 . A A . 6 LEU HA 1 1 5 2412 1 1 6 LEU HB2 H -3.665 7.602 11.151 1.00 . A A . 6 LEU HB2 1 1 5 2413 1 1 6 LEU HB3 H -4.326 9.186 10.814 1.00 . A A . 6 LEU HB3 1 1 5 2414 1 1 6 LEU HD11 H -6.379 9.883 11.622 1.00 . A A . 6 LEU HD11 1 1 5 2415 1 1 6 LEU HD12 H -7.280 8.936 12.800 1.00 . A A . 6 LEU HD12 1 1 5 2416 1 1 6 LEU HD13 H -7.455 8.591 11.087 1.00 . A A . 6 LEU HD13 1 1 5 2417 1 1 6 LEU HD21 H -5.312 5.778 11.904 1.00 . A A . 6 LEU HD21 1 1 5 2418 1 1 6 LEU HD22 H -6.744 6.331 11.031 1.00 . A A . 6 LEU HD22 1 1 5 2419 1 1 6 LEU HD23 H -6.744 6.293 12.791 1.00 . A A . 6 LEU HD23 1 1 5 2420 1 1 6 LEU HG H -5.140 8.050 12.922 1.00 . A A . 6 LEU HG 1 1 5 2421 1 1 6 LEU N N -3.740 7.640 8.596 1.00 . A A . 6 LEU N 1 1 5 2422 1 1 6 LEU O O -7.163 8.248 8.753 1.00 . A A . 6 LEU O 1 1 5 2423 1 1 7 ASP C C -6.304 10.486 6.090 1.00 . A A . 7 ASP C 1 1 5 2424 1 1 7 ASP CA C -6.377 10.650 7.601 1.00 . A A . 7 ASP CA 1 1 5 2425 1 1 7 ASP CB C -5.962 12.077 7.967 1.00 . A A . 7 ASP CB 1 1 5 2426 1 1 7 ASP CG C -5.998 12.348 9.457 1.00 . A A . 7 ASP CG 1 1 5 2427 1 1 7 ASP H H -4.539 9.874 8.289 1.00 . A A . 7 ASP H 1 1 5 2428 1 1 7 ASP HA H -7.400 10.493 7.921 1.00 . A A . 7 ASP HA 1 1 5 2429 1 1 7 ASP HB2 H -4.953 12.255 7.621 1.00 . A A . 7 ASP HB2 1 1 5 2430 1 1 7 ASP HB3 H -6.630 12.777 7.482 1.00 . A A . 7 ASP HB3 1 1 5 2431 1 1 7 ASP N N -5.505 9.681 8.255 1.00 . A A . 7 ASP N 1 1 5 2432 1 1 7 ASP O O -6.531 11.437 5.340 1.00 . A A . 7 ASP O 1 1 5 2433 1 1 7 ASP OD1 O -7.080 12.686 9.976 1.00 . A A . 7 ASP OD1 1 1 5 2434 1 1 7 ASP OD2 O -4.935 12.246 10.111 1.00 . A A . 7 ASP OD2 1 1 5 2435 1 1 8 LEU C C -6.760 8.100 3.619 1.00 . A A . 8 LEU C 1 1 5 2436 1 1 8 LEU CA C -5.726 9.036 4.234 1.00 . A A . 8 LEU CA 1 1 5 2437 1 1 8 LEU CB C -4.318 8.454 4.062 1.00 . A A . 8 LEU CB 1 1 5 2438 1 1 8 LEU CD1 C -3.982 8.906 1.610 1.00 . A A . 8 LEU CD1 1 1 5 2439 1 1 8 LEU CD2 C -3.326 10.626 3.297 1.00 . A A . 8 LEU CD2 1 1 5 2440 1 1 8 LEU CG C -3.437 9.137 3.009 1.00 . A A . 8 LEU CG 1 1 5 2441 1 1 8 LEU H H -5.830 8.543 6.266 1.00 . A A . 8 LEU H 1 1 5 2442 1 1 8 LEU HA H -5.790 9.959 3.709 1.00 . A A . 8 LEU HA 1 1 5 2443 1 1 8 LEU HB2 H -3.822 8.549 5.000 1.00 . A A . 8 LEU HB2 1 1 5 2444 1 1 8 LEU HB3 H -4.372 7.399 3.827 1.00 . A A . 8 LEU HB3 1 1 5 2445 1 1 8 LEU HD11 H -3.172 8.591 0.975 1.00 . A A . 8 LEU HD11 1 1 5 2446 1 1 8 LEU HD12 H -4.404 9.807 1.207 1.00 . A A . 8 LEU HD12 1 1 5 2447 1 1 8 LEU HD13 H -4.729 8.136 1.609 1.00 . A A . 8 LEU HD13 1 1 5 2448 1 1 8 LEU HD21 H -2.759 11.098 2.522 1.00 . A A . 8 LEU HD21 1 1 5 2449 1 1 8 LEU HD22 H -2.822 10.775 4.234 1.00 . A A . 8 LEU HD22 1 1 5 2450 1 1 8 LEU HD23 H -4.295 11.085 3.343 1.00 . A A . 8 LEU HD23 1 1 5 2451 1 1 8 LEU HG H -2.444 8.714 3.054 1.00 . A A . 8 LEU HG 1 1 5 2452 1 1 8 LEU N N -5.990 9.279 5.646 1.00 . A A . 8 LEU N 1 1 5 2453 1 1 8 LEU O O -6.441 7.341 2.703 1.00 . A A . 8 LEU O 1 1 5 2454 1 1 9 ALA C C -9.336 7.523 2.138 1.00 . A A . 9 ALA C 1 1 5 2455 1 1 9 ALA CA C -9.104 7.343 3.639 1.00 . A A . 9 ALA CA 1 1 5 2456 1 1 9 ALA CB C -10.373 7.662 4.419 1.00 . A A . 9 ALA CB 1 1 5 2457 1 1 9 ALA H H -8.186 8.842 4.824 1.00 . A A . 9 ALA H 1 1 5 2458 1 1 9 ALA HA H -8.837 6.317 3.837 1.00 . A A . 9 ALA HA 1 1 5 2459 1 1 9 ALA HB1 H -10.673 8.682 4.225 1.00 . A A . 9 ALA HB1 1 1 5 2460 1 1 9 ALA HB2 H -10.184 7.540 5.475 1.00 . A A . 9 ALA HB2 1 1 5 2461 1 1 9 ALA HB3 H -11.163 6.991 4.118 1.00 . A A . 9 ALA HB3 1 1 5 2462 1 1 9 ALA N N -7.999 8.189 4.110 1.00 . A A . 9 ALA N 1 1 5 2463 1 1 9 ALA O O -10.259 8.219 1.710 1.00 . A A . 9 ALA O 1 1 5 2464 1 1 10 CYS C C -8.242 8.608 -0.325 1.00 . A A . 10 CYS C 1 1 5 2465 1 1 10 CYS CA C -8.373 7.109 -0.071 1.00 . A A . 10 CYS CA 1 1 5 2466 1 1 10 CYS CB C -9.533 6.507 -0.880 1.00 . A A . 10 CYS CB 1 1 5 2467 1 1 10 CYS H H -7.795 6.308 1.772 1.00 . A A . 10 CYS H 1 1 5 2468 1 1 10 CYS HA H -7.452 6.639 -0.392 1.00 . A A . 10 CYS HA 1 1 5 2469 1 1 10 CYS HB2 H -9.635 5.461 -0.656 1.00 . A A . 10 CYS HB2 1 1 5 2470 1 1 10 CYS HB3 H -10.449 7.010 -0.602 1.00 . A A . 10 CYS HB3 1 1 5 2471 1 1 10 CYS N N -8.493 6.862 1.354 1.00 . A A . 10 CYS N 1 1 5 2472 1 1 10 CYS O O -8.926 9.183 -1.170 1.00 . A A . 10 CYS O 1 1 5 2473 1 1 10 CYS SG S -9.327 6.710 -2.690 1.00 . A A . 10 CYS SG 1 1 5 2474 1 1 11 THR C C -5.936 10.793 -0.812 1.00 . A A . 11 THR C 1 1 5 2475 1 1 11 THR CA C -7.067 10.660 0.208 1.00 . A A . 11 THR CA 1 1 5 2476 1 1 11 THR CB C -6.687 11.362 1.528 1.00 . A A . 11 THR CB 1 1 5 2477 1 1 11 THR CG2 C -6.806 12.876 1.401 1.00 . A A . 11 THR CG2 1 1 5 2478 1 1 11 THR H H -6.819 8.753 1.081 1.00 . A A . 11 THR H 1 1 5 2479 1 1 11 THR HA H -7.955 11.135 -0.200 1.00 . A A . 11 THR HA 1 1 5 2480 1 1 11 THR HB H -5.677 11.125 1.801 1.00 . A A . 11 THR HB 1 1 5 2481 1 1 11 THR HG1 H -7.324 11.331 3.412 1.00 . A A . 11 THR HG1 1 1 5 2482 1 1 11 THR HG21 H -7.757 13.136 0.955 1.00 . A A . 11 THR HG21 1 1 5 2483 1 1 11 THR HG22 H -6.006 13.257 0.789 1.00 . A A . 11 THR HG22 1 1 5 2484 1 1 11 THR HG23 H -6.742 13.320 2.384 1.00 . A A . 11 THR HG23 1 1 5 2485 1 1 11 THR N N -7.351 9.248 0.425 1.00 . A A . 11 THR N 1 1 5 2486 1 1 11 THR O O -5.122 11.715 -0.770 1.00 . A A . 11 THR O 1 1 5 2487 1 1 11 THR OG1 O -7.559 10.915 2.575 1.00 . A A . 11 THR OG1 1 1 5 2488 1 1 12 GLY C C -3.886 8.655 -2.440 1.00 . A A . 12 GLY C 1 1 5 2489 1 1 12 GLY CA C -4.850 9.788 -2.714 1.00 . A A . 12 GLY CA 1 1 5 2490 1 1 12 GLY H H -6.556 9.132 -1.750 1.00 . A A . 12 GLY H 1 1 5 2491 1 1 12 GLY HA2 H -5.300 9.645 -3.687 1.00 . A A . 12 GLY HA2 1 1 5 2492 1 1 12 GLY HA3 H -4.294 10.718 -2.732 1.00 . A A . 12 GLY HA3 1 1 5 2493 1 1 12 GLY N N -5.901 9.842 -1.734 1.00 . A A . 12 GLY N 1 1 5 2494 1 1 12 GLY O O -3.101 8.713 -1.490 1.00 . A A . 12 GLY O 1 1 5 2495 1 1 13 SER C C -1.578 7.091 -3.338 1.00 . A A . 13 SER C 1 1 5 2496 1 1 13 SER CA C -2.983 6.525 -3.154 1.00 . A A . 13 SER CA 1 1 5 2497 1 1 13 SER CB C -3.282 5.444 -4.195 1.00 . A A . 13 SER CB 1 1 5 2498 1 1 13 SER H H -4.610 7.600 -3.984 1.00 . A A . 13 SER H 1 1 5 2499 1 1 13 SER HA H -3.057 6.092 -2.165 1.00 . A A . 13 SER HA 1 1 5 2500 1 1 13 SER HB2 H -3.195 5.863 -5.188 1.00 . A A . 13 SER HB2 1 1 5 2501 1 1 13 SER HB3 H -2.579 4.631 -4.083 1.00 . A A . 13 SER HB3 1 1 5 2502 1 1 13 SER HG H -5.228 5.525 -4.448 1.00 . A A . 13 SER HG 1 1 5 2503 1 1 13 SER N N -3.951 7.606 -3.249 1.00 . A A . 13 SER N 1 1 5 2504 1 1 13 SER O O -0.615 6.603 -2.751 1.00 . A A . 13 SER O 1 1 5 2505 1 1 13 SER OG O -4.597 4.936 -4.026 1.00 . A A . 13 SER OG 1 1 5 2506 1 1 14 LYS C C 0.326 9.373 -2.995 1.00 . A A . 14 LYS C 1 1 5 2507 1 1 14 LYS CA C -0.250 8.897 -4.327 1.00 . A A . 14 LYS CA 1 1 5 2508 1 1 14 LYS CB C -0.494 10.098 -5.237 1.00 . A A . 14 LYS CB 1 1 5 2509 1 1 14 LYS CD C -1.285 10.966 -7.454 1.00 . A A . 14 LYS CD 1 1 5 2510 1 1 14 LYS CE C -1.447 10.639 -8.927 1.00 . A A . 14 LYS CE 1 1 5 2511 1 1 14 LYS CG C -0.946 9.729 -6.639 1.00 . A A . 14 LYS CG 1 1 5 2512 1 1 14 LYS H H -2.308 8.516 -4.552 1.00 . A A . 14 LYS H 1 1 5 2513 1 1 14 LYS HA H 0.439 8.257 -4.791 1.00 . A A . 14 LYS HA 1 1 5 2514 1 1 14 LYS HB2 H -1.255 10.722 -4.786 1.00 . A A . 14 LYS HB2 1 1 5 2515 1 1 14 LYS HB3 H 0.423 10.670 -5.321 1.00 . A A . 14 LYS HB3 1 1 5 2516 1 1 14 LYS HD2 H -2.210 11.384 -7.087 1.00 . A A . 14 LYS HD2 1 1 5 2517 1 1 14 LYS HD3 H -0.492 11.696 -7.348 1.00 . A A . 14 LYS HD3 1 1 5 2518 1 1 14 LYS HE2 H -2.237 9.910 -9.043 1.00 . A A . 14 LYS HE2 1 1 5 2519 1 1 14 LYS HE3 H -1.714 11.543 -9.455 1.00 . A A . 14 LYS HE3 1 1 5 2520 1 1 14 LYS HG2 H -0.146 9.186 -7.116 1.00 . A A . 14 LYS HG2 1 1 5 2521 1 1 14 LYS HG3 H -1.822 9.099 -6.576 1.00 . A A . 14 LYS HG3 1 1 5 2522 1 1 14 LYS HZ1 H -0.061 9.105 -9.215 1.00 . A A . 14 LYS HZ1 1 1 5 2523 1 1 14 LYS HZ2 H 0.634 10.650 -9.202 1.00 . A A . 14 LYS HZ2 1 1 5 2524 1 1 14 LYS HZ3 H -0.245 10.124 -10.546 1.00 . A A . 14 LYS HZ3 1 1 5 2525 1 1 14 LYS N N -1.495 8.163 -4.128 1.00 . A A . 14 LYS N 1 1 5 2526 1 1 14 LYS NZ N -0.193 10.093 -9.508 1.00 . A A . 14 LYS NZ 1 1 5 2527 1 1 14 LYS O O 1.543 9.427 -2.820 1.00 . A A . 14 LYS O 1 1 5 2528 1 1 15 ASP C C 0.257 8.928 0.084 1.00 . A A . 15 ASP C 1 1 5 2529 1 1 15 ASP CA C -0.137 10.145 -0.736 1.00 . A A . 15 ASP CA 1 1 5 2530 1 1 15 ASP CB C -1.268 10.882 -0.014 1.00 . A A . 15 ASP CB 1 1 5 2531 1 1 15 ASP CG C -0.770 11.741 1.139 1.00 . A A . 15 ASP CG 1 1 5 2532 1 1 15 ASP H H -1.511 9.667 -2.258 1.00 . A A . 15 ASP H 1 1 5 2533 1 1 15 ASP HA H 0.721 10.802 -0.836 1.00 . A A . 15 ASP HA 1 1 5 2534 1 1 15 ASP HB2 H -1.767 11.530 -0.720 1.00 . A A . 15 ASP HB2 1 1 5 2535 1 1 15 ASP HB3 H -1.980 10.177 0.368 1.00 . A A . 15 ASP HB3 1 1 5 2536 1 1 15 ASP N N -0.556 9.719 -2.064 1.00 . A A . 15 ASP N 1 1 5 2537 1 1 15 ASP O O 1.331 8.882 0.678 1.00 . A A . 15 ASP O 1 1 5 2538 1 1 15 ASP OD1 O -0.051 11.223 2.020 1.00 . A A . 15 ASP OD1 1 1 5 2539 1 1 15 ASP OD2 O -1.113 12.944 1.177 1.00 . A A . 15 ASP OD2 1 1 5 2540 1 1 16 CYS C C 0.772 5.899 0.443 1.00 . A A . 16 CYS C 1 1 5 2541 1 1 16 CYS CA C -0.424 6.740 0.909 1.00 . A A . 16 CYS CA 1 1 5 2542 1 1 16 CYS CB C -1.694 5.883 0.949 1.00 . A A . 16 CYS CB 1 1 5 2543 1 1 16 CYS H H -1.454 8.012 -0.439 1.00 . A A . 16 CYS H 1 1 5 2544 1 1 16 CYS HA H -0.225 7.086 1.915 1.00 . A A . 16 CYS HA 1 1 5 2545 1 1 16 CYS HB2 H -2.542 6.522 1.141 1.00 . A A . 16 CYS HB2 1 1 5 2546 1 1 16 CYS HB3 H -1.831 5.392 -0.005 1.00 . A A . 16 CYS HB3 1 1 5 2547 1 1 16 CYS N N -0.618 7.925 0.079 1.00 . A A . 16 CYS N 1 1 5 2548 1 1 16 CYS O O 1.185 4.969 1.140 1.00 . A A . 16 CYS O 1 1 5 2549 1 1 16 CYS SG S -1.671 4.595 2.244 1.00 . A A . 16 CYS SG 1 1 5 2550 1 1 17 TYR C C 3.650 5.699 -0.105 1.00 . A A . 17 TYR C 1 1 5 2551 1 1 17 TYR CA C 2.571 5.585 -1.178 1.00 . A A . 17 TYR CA 1 1 5 2552 1 1 17 TYR CB C 3.093 6.221 -2.468 1.00 . A A . 17 TYR CB 1 1 5 2553 1 1 17 TYR CD1 C 1.554 4.714 -3.803 1.00 . A A . 17 TYR CD1 1 1 5 2554 1 1 17 TYR CD2 C 2.303 6.742 -4.802 1.00 . A A . 17 TYR CD2 1 1 5 2555 1 1 17 TYR CE1 C 0.835 4.414 -4.945 1.00 . A A . 17 TYR CE1 1 1 5 2556 1 1 17 TYR CE2 C 1.588 6.447 -5.944 1.00 . A A . 17 TYR CE2 1 1 5 2557 1 1 17 TYR CG C 2.300 5.884 -3.712 1.00 . A A . 17 TYR CG 1 1 5 2558 1 1 17 TYR CZ C 0.857 5.285 -6.012 1.00 . A A . 17 TYR CZ 1 1 5 2559 1 1 17 TYR H H 0.963 6.945 -1.269 1.00 . A A . 17 TYR H 1 1 5 2560 1 1 17 TYR HA H 2.381 4.538 -1.332 1.00 . A A . 17 TYR HA 1 1 5 2561 1 1 17 TYR HB2 H 3.085 7.295 -2.347 1.00 . A A . 17 TYR HB2 1 1 5 2562 1 1 17 TYR HB3 H 4.114 5.898 -2.641 1.00 . A A . 17 TYR HB3 1 1 5 2563 1 1 17 TYR HD1 H 1.532 4.021 -2.983 1.00 . A A . 17 TYR HD1 1 1 5 2564 1 1 17 TYR HD2 H 2.876 7.658 -4.753 1.00 . A A . 17 TYR HD2 1 1 5 2565 1 1 17 TYR HE1 H 0.269 3.505 -5.000 1.00 . A A . 17 TYR HE1 1 1 5 2566 1 1 17 TYR HE2 H 1.605 7.129 -6.781 1.00 . A A . 17 TYR HE2 1 1 5 2567 1 1 17 TYR HH H -0.751 5.326 -7.066 1.00 . A A . 17 TYR HH 1 1 5 2568 1 1 17 TYR N N 1.327 6.216 -0.730 1.00 . A A . 17 TYR N 1 1 5 2569 1 1 17 TYR O O 4.369 4.738 0.170 1.00 . A A . 17 TYR O 1 1 5 2570 1 1 17 TYR OH O 0.146 4.996 -7.155 1.00 . A A . 17 TYR OH 1 1 5 2571 1 1 18 ALA C C 4.579 6.270 2.770 1.00 . A A . 18 ALA C 1 1 5 2572 1 1 18 ALA CA C 4.771 7.140 1.516 1.00 . A A . 18 ALA CA 1 1 5 2573 1 1 18 ALA CB C 4.823 8.624 1.871 1.00 . A A . 18 ALA CB 1 1 5 2574 1 1 18 ALA H H 3.134 7.609 0.252 1.00 . A A . 18 ALA H 1 1 5 2575 1 1 18 ALA HA H 5.729 6.884 1.076 1.00 . A A . 18 ALA HA 1 1 5 2576 1 1 18 ALA HB1 H 5.077 8.758 2.915 1.00 . A A . 18 ALA HB1 1 1 5 2577 1 1 18 ALA HB2 H 3.868 9.088 1.674 1.00 . A A . 18 ALA HB2 1 1 5 2578 1 1 18 ALA HB3 H 5.576 9.103 1.263 1.00 . A A . 18 ALA HB3 1 1 5 2579 1 1 18 ALA N N 3.745 6.879 0.509 1.00 . A A . 18 ALA N 1 1 5 2580 1 1 18 ALA O O 5.504 5.553 3.158 1.00 . A A . 18 ALA O 1 1 5 2581 1 1 19 PRO C C 3.298 3.961 4.255 1.00 . A A . 19 PRO C 1 1 5 2582 1 1 19 PRO CA C 3.106 5.439 4.582 1.00 . A A . 19 PRO CA 1 1 5 2583 1 1 19 PRO CB C 1.633 5.719 4.895 1.00 . A A . 19 PRO CB 1 1 5 2584 1 1 19 PRO CD C 2.267 7.230 3.164 1.00 . A A . 19 PRO CD 1 1 5 2585 1 1 19 PRO CG C 1.387 7.085 4.374 1.00 . A A . 19 PRO CG 1 1 5 2586 1 1 19 PRO HA H 3.713 5.697 5.437 1.00 . A A . 19 PRO HA 1 1 5 2587 1 1 19 PRO HB2 H 0.992 4.997 4.404 1.00 . A A . 19 PRO HB2 1 1 5 2588 1 1 19 PRO HB3 H 1.477 5.675 5.962 1.00 . A A . 19 PRO HB3 1 1 5 2589 1 1 19 PRO HD2 H 1.763 6.960 2.290 1.00 . A A . 19 PRO HD2 1 1 5 2590 1 1 19 PRO HD3 H 2.605 8.243 3.101 1.00 . A A . 19 PRO HD3 1 1 5 2591 1 1 19 PRO HG2 H 0.349 7.190 4.096 1.00 . A A . 19 PRO HG2 1 1 5 2592 1 1 19 PRO HG3 H 1.649 7.811 5.114 1.00 . A A . 19 PRO HG3 1 1 5 2593 1 1 19 PRO N N 3.394 6.314 3.437 1.00 . A A . 19 PRO N 1 1 5 2594 1 1 19 PRO O O 3.885 3.223 5.040 1.00 . A A . 19 PRO O 1 1 5 2595 1 1 20 CYS C C 4.379 1.728 2.564 1.00 . A A . 20 CYS C 1 1 5 2596 1 1 20 CYS CA C 2.913 2.137 2.689 1.00 . A A . 20 CYS CA 1 1 5 2597 1 1 20 CYS CB C 2.172 1.892 1.369 1.00 . A A . 20 CYS CB 1 1 5 2598 1 1 20 CYS H H 2.348 4.175 2.498 1.00 . A A . 20 CYS H 1 1 5 2599 1 1 20 CYS HA H 2.453 1.532 3.461 1.00 . A A . 20 CYS HA 1 1 5 2600 1 1 20 CYS HB2 H 1.143 2.201 1.481 1.00 . A A . 20 CYS HB2 1 1 5 2601 1 1 20 CYS HB3 H 2.632 2.485 0.590 1.00 . A A . 20 CYS HB3 1 1 5 2602 1 1 20 CYS N N 2.808 3.536 3.093 1.00 . A A . 20 CYS N 1 1 5 2603 1 1 20 CYS O O 4.787 0.686 3.078 1.00 . A A . 20 CYS O 1 1 5 2604 1 1 20 CYS SG S 2.180 0.153 0.819 1.00 . A A . 20 CYS SG 1 1 5 2605 1 1 21 ARG C C 7.268 2.276 3.152 1.00 . A A . 21 ARG C 1 1 5 2606 1 1 21 ARG CA C 6.605 2.335 1.780 1.00 . A A . 21 ARG CA 1 1 5 2607 1 1 21 ARG CB C 7.251 3.437 0.933 1.00 . A A . 21 ARG CB 1 1 5 2608 1 1 21 ARG CD C 9.361 4.579 0.170 1.00 . A A . 21 ARG CD 1 1 5 2609 1 1 21 ARG CG C 8.771 3.446 0.996 1.00 . A A . 21 ARG CG 1 1 5 2610 1 1 21 ARG CZ C 8.769 5.257 -2.130 1.00 . A A . 21 ARG CZ 1 1 5 2611 1 1 21 ARG H H 4.793 3.406 1.540 1.00 . A A . 21 ARG H 1 1 5 2612 1 1 21 ARG HA H 6.745 1.385 1.283 1.00 . A A . 21 ARG HA 1 1 5 2613 1 1 21 ARG HB2 H 6.954 3.299 -0.093 1.00 . A A . 21 ARG HB2 1 1 5 2614 1 1 21 ARG HB3 H 6.889 4.397 1.278 1.00 . A A . 21 ARG HB3 1 1 5 2615 1 1 21 ARG HD2 H 8.884 5.496 0.469 1.00 . A A . 21 ARG HD2 1 1 5 2616 1 1 21 ARG HD3 H 10.415 4.647 0.402 1.00 . A A . 21 ARG HD3 1 1 5 2617 1 1 21 ARG HE H 9.480 3.465 -1.605 1.00 . A A . 21 ARG HE 1 1 5 2618 1 1 21 ARG HG2 H 9.093 3.579 2.017 1.00 . A A . 21 ARG HG2 1 1 5 2619 1 1 21 ARG HG3 H 9.144 2.506 0.617 1.00 . A A . 21 ARG HG3 1 1 5 2620 1 1 21 ARG HH11 H 8.495 6.744 -0.767 1.00 . A A . 21 ARG HH11 1 1 5 2621 1 1 21 ARG HH12 H 8.090 7.141 -2.388 1.00 . A A . 21 ARG HH12 1 1 5 2622 1 1 21 ARG HH21 H 8.979 4.051 -3.735 1.00 . A A . 21 ARG HH21 1 1 5 2623 1 1 21 ARG HH22 H 8.347 5.624 -4.074 1.00 . A A . 21 ARG HH22 1 1 5 2624 1 1 21 ARG N N 5.173 2.574 1.910 1.00 . A A . 21 ARG N 1 1 5 2625 1 1 21 ARG NE N 9.216 4.350 -1.264 1.00 . A A . 21 ARG NE 1 1 5 2626 1 1 21 ARG NH1 N 8.427 6.473 -1.720 1.00 . A A . 21 ARG NH1 1 1 5 2627 1 1 21 ARG NH2 N 8.693 4.952 -3.416 1.00 . A A . 21 ARG NH2 1 1 5 2628 1 1 21 ARG O O 8.084 1.398 3.419 1.00 . A A . 21 ARG O 1 1 5 2629 1 1 22 LYS C C 7.112 2.103 6.206 1.00 . A A . 22 LYS C 1 1 5 2630 1 1 22 LYS CA C 7.492 3.306 5.346 1.00 . A A . 22 LYS CA 1 1 5 2631 1 1 22 LYS CB C 7.031 4.598 6.024 1.00 . A A . 22 LYS CB 1 1 5 2632 1 1 22 LYS CD C 9.238 5.154 7.083 1.00 . A A . 22 LYS CD 1 1 5 2633 1 1 22 LYS CE C 9.945 5.588 8.356 1.00 . A A . 22 LYS CE 1 1 5 2634 1 1 22 LYS CG C 7.758 4.911 7.321 1.00 . A A . 22 LYS CG 1 1 5 2635 1 1 22 LYS H H 6.229 3.880 3.748 1.00 . A A . 22 LYS H 1 1 5 2636 1 1 22 LYS HA H 8.565 3.326 5.227 1.00 . A A . 22 LYS HA 1 1 5 2637 1 1 22 LYS HB2 H 7.187 5.422 5.341 1.00 . A A . 22 LYS HB2 1 1 5 2638 1 1 22 LYS HB3 H 5.973 4.527 6.239 1.00 . A A . 22 LYS HB3 1 1 5 2639 1 1 22 LYS HD2 H 9.695 4.242 6.734 1.00 . A A . 22 LYS HD2 1 1 5 2640 1 1 22 LYS HD3 H 9.358 5.929 6.338 1.00 . A A . 22 LYS HD3 1 1 5 2641 1 1 22 LYS HE2 H 9.836 4.813 9.102 1.00 . A A . 22 LYS HE2 1 1 5 2642 1 1 22 LYS HE3 H 10.994 5.729 8.138 1.00 . A A . 22 LYS HE3 1 1 5 2643 1 1 22 LYS HG2 H 7.315 5.796 7.752 1.00 . A A . 22 LYS HG2 1 1 5 2644 1 1 22 LYS HG3 H 7.642 4.082 8.000 1.00 . A A . 22 LYS HG3 1 1 5 2645 1 1 22 LYS HZ1 H 9.292 7.568 8.134 1.00 . A A . 22 LYS HZ1 1 1 5 2646 1 1 22 LYS HZ2 H 10.023 7.238 9.621 1.00 . A A . 22 LYS HZ2 1 1 5 2647 1 1 22 LYS HZ3 H 8.457 6.690 9.319 1.00 . A A . 22 LYS HZ3 1 1 5 2648 1 1 22 LYS N N 6.898 3.207 4.019 1.00 . A A . 22 LYS N 1 1 5 2649 1 1 22 LYS NZ N 9.389 6.857 8.891 1.00 . A A . 22 LYS NZ 1 1 5 2650 1 1 22 LYS O O 7.868 1.695 7.087 1.00 . A A . 22 LYS O 1 1 5 2651 1 1 23 GLN C C 6.022 -0.902 6.232 1.00 . A A . 23 GLN C 1 1 5 2652 1 1 23 GLN CA C 5.436 0.420 6.722 1.00 . A A . 23 GLN CA 1 1 5 2653 1 1 23 GLN CB C 3.908 0.368 6.641 1.00 . A A . 23 GLN CB 1 1 5 2654 1 1 23 GLN CD C 1.797 -0.829 7.320 1.00 . A A . 23 GLN CD 1 1 5 2655 1 1 23 GLN CG C 3.282 -0.659 7.567 1.00 . A A . 23 GLN CG 1 1 5 2656 1 1 23 GLN H H 5.372 1.905 5.227 1.00 . A A . 23 GLN H 1 1 5 2657 1 1 23 GLN HA H 5.723 0.563 7.758 1.00 . A A . 23 GLN HA 1 1 5 2658 1 1 23 GLN HB2 H 3.519 1.340 6.909 1.00 . A A . 23 GLN HB2 1 1 5 2659 1 1 23 GLN HB3 H 3.612 0.145 5.624 1.00 . A A . 23 GLN HB3 1 1 5 2660 1 1 23 GLN HE21 H 1.869 -2.727 7.936 1.00 . A A . 23 GLN HE21 1 1 5 2661 1 1 23 GLN HE22 H 0.322 -2.143 7.438 1.00 . A A . 23 GLN HE22 1 1 5 2662 1 1 23 GLN HG2 H 3.765 -1.616 7.422 1.00 . A A . 23 GLN HG2 1 1 5 2663 1 1 23 GLN HG3 H 3.426 -0.337 8.588 1.00 . A A . 23 GLN HG3 1 1 5 2664 1 1 23 GLN N N 5.940 1.540 5.944 1.00 . A A . 23 GLN N 1 1 5 2665 1 1 23 GLN NE2 N 1.281 -2.017 7.592 1.00 . A A . 23 GLN NE2 1 1 5 2666 1 1 23 GLN O O 6.731 -1.588 6.970 1.00 . A A . 23 GLN O 1 1 5 2667 1 1 23 GLN OE1 O 1.117 0.101 6.880 1.00 . A A . 23 GLN OE1 1 1 5 2668 1 1 24 THR C C 7.514 -2.516 3.850 1.00 . A A . 24 THR C 1 1 5 2669 1 1 24 THR CA C 6.112 -2.545 4.443 1.00 . A A . 24 THR CA 1 1 5 2670 1 1 24 THR CB C 5.121 -2.996 3.352 1.00 . A A . 24 THR CB 1 1 5 2671 1 1 24 THR CG2 C 3.710 -3.111 3.906 1.00 . A A . 24 THR CG2 1 1 5 2672 1 1 24 THR H H 5.180 -0.648 4.429 1.00 . A A . 24 THR H 1 1 5 2673 1 1 24 THR HA H 6.094 -3.274 5.245 1.00 . A A . 24 THR HA 1 1 5 2674 1 1 24 THR HB H 5.415 -3.968 2.973 1.00 . A A . 24 THR HB 1 1 5 2675 1 1 24 THR HG1 H 4.853 -2.489 1.461 1.00 . A A . 24 THR HG1 1 1 5 2676 1 1 24 THR HG21 H 3.388 -2.150 4.280 1.00 . A A . 24 THR HG21 1 1 5 2677 1 1 24 THR HG22 H 3.693 -3.834 4.709 1.00 . A A . 24 THR HG22 1 1 5 2678 1 1 24 THR HG23 H 3.042 -3.432 3.121 1.00 . A A . 24 THR HG23 1 1 5 2679 1 1 24 THR N N 5.735 -1.246 4.982 1.00 . A A . 24 THR N 1 1 5 2680 1 1 24 THR O O 8.229 -3.522 3.862 1.00 . A A . 24 THR O 1 1 5 2681 1 1 24 THR OG1 O 5.132 -2.055 2.272 1.00 . A A . 24 THR OG1 1 1 5 2682 1 1 25 GLY C C 8.949 -1.085 1.151 1.00 . A A . 25 GLY C 1 1 5 2683 1 1 25 GLY CA C 9.165 -1.252 2.641 1.00 . A A . 25 GLY CA 1 1 5 2684 1 1 25 GLY H H 7.319 -0.574 3.372 1.00 . A A . 25 GLY H 1 1 5 2685 1 1 25 GLY HA2 H 9.700 -0.390 3.009 1.00 . A A . 25 GLY HA2 1 1 5 2686 1 1 25 GLY HA3 H 9.779 -2.129 2.806 1.00 . A A . 25 GLY HA3 1 1 5 2687 1 1 25 GLY N N 7.912 -1.356 3.352 1.00 . A A . 25 GLY N 1 1 5 2688 1 1 25 GLY O O 9.889 -0.811 0.405 1.00 . A A . 25 GLY O 1 1 5 2689 1 1 26 CYS C C 6.155 -0.242 -0.904 1.00 . A A . 26 CYS C 1 1 5 2690 1 1 26 CYS CA C 7.363 -1.161 -0.696 1.00 . A A . 26 CYS CA 1 1 5 2691 1 1 26 CYS CB C 7.098 -2.568 -1.244 1.00 . A A . 26 CYS CB 1 1 5 2692 1 1 26 CYS H H 6.982 -1.461 1.348 1.00 . A A . 26 CYS H 1 1 5 2693 1 1 26 CYS HA H 8.214 -0.757 -1.216 1.00 . A A . 26 CYS HA 1 1 5 2694 1 1 26 CYS HB2 H 6.225 -2.983 -0.760 1.00 . A A . 26 CYS HB2 1 1 5 2695 1 1 26 CYS HB3 H 6.924 -2.509 -2.308 1.00 . A A . 26 CYS HB3 1 1 5 2696 1 1 26 CYS N N 7.703 -1.244 0.719 1.00 . A A . 26 CYS N 1 1 5 2697 1 1 26 CYS O O 5.172 -0.327 -0.174 1.00 . A A . 26 CYS O 1 1 5 2698 1 1 26 CYS SG S 8.490 -3.720 -0.968 1.00 . A A . 26 CYS SG 1 1 5 2699 1 1 27 PRO C C 4.037 1.289 -2.983 1.00 . A A . 27 PRO C 1 1 5 2700 1 1 27 PRO CA C 5.226 1.715 -2.121 1.00 . A A . 27 PRO CA 1 1 5 2701 1 1 27 PRO CB C 6.051 2.754 -2.867 1.00 . A A . 27 PRO CB 1 1 5 2702 1 1 27 PRO CD C 7.284 0.703 -2.936 1.00 . A A . 27 PRO CD 1 1 5 2703 1 1 27 PRO CG C 6.937 1.931 -3.740 1.00 . A A . 27 PRO CG 1 1 5 2704 1 1 27 PRO HA H 4.872 2.135 -1.191 1.00 . A A . 27 PRO HA 1 1 5 2705 1 1 27 PRO HB2 H 5.419 3.418 -3.444 1.00 . A A . 27 PRO HB2 1 1 5 2706 1 1 27 PRO HB3 H 6.629 3.330 -2.166 1.00 . A A . 27 PRO HB3 1 1 5 2707 1 1 27 PRO HD2 H 7.262 -0.178 -3.561 1.00 . A A . 27 PRO HD2 1 1 5 2708 1 1 27 PRO HD3 H 8.256 0.824 -2.484 1.00 . A A . 27 PRO HD3 1 1 5 2709 1 1 27 PRO HG2 H 6.407 1.651 -4.638 1.00 . A A . 27 PRO HG2 1 1 5 2710 1 1 27 PRO HG3 H 7.827 2.477 -3.988 1.00 . A A . 27 PRO HG3 1 1 5 2711 1 1 27 PRO N N 6.222 0.652 -1.909 1.00 . A A . 27 PRO N 1 1 5 2712 1 1 27 PRO O O 3.413 2.119 -3.647 1.00 . A A . 27 PRO O 1 1 5 2713 1 1 28 ASN C C 1.317 -0.353 -3.025 1.00 . A A . 28 ASN C 1 1 5 2714 1 1 28 ASN CA C 2.631 -0.524 -3.770 1.00 . A A . 28 ASN CA 1 1 5 2715 1 1 28 ASN CB C 2.846 -2.009 -4.080 1.00 . A A . 28 ASN CB 1 1 5 2716 1 1 28 ASN CG C 4.053 -2.271 -4.955 1.00 . A A . 28 ASN CG 1 1 5 2717 1 1 28 ASN H H 4.256 -0.622 -2.442 1.00 . A A . 28 ASN H 1 1 5 2718 1 1 28 ASN HA H 2.579 0.022 -4.708 1.00 . A A . 28 ASN HA 1 1 5 2719 1 1 28 ASN HB2 H 2.973 -2.553 -3.158 1.00 . A A . 28 ASN HB2 1 1 5 2720 1 1 28 ASN HB3 H 1.989 -2.385 -4.595 1.00 . A A . 28 ASN HB3 1 1 5 2721 1 1 28 ASN HD21 H 3.179 -3.891 -5.730 1.00 . A A . 28 ASN HD21 1 1 5 2722 1 1 28 ASN HD22 H 4.759 -3.519 -6.319 1.00 . A A . 28 ASN HD22 1 1 5 2723 1 1 28 ASN N N 3.738 0.005 -2.979 1.00 . A A . 28 ASN N 1 1 5 2724 1 1 28 ASN ND2 N 3.988 -3.331 -5.744 1.00 . A A . 28 ASN ND2 1 1 5 2725 1 1 28 ASN O O 0.935 -1.215 -2.238 1.00 . A A . 28 ASN O 1 1 5 2726 1 1 28 ASN OD1 O 5.041 -1.537 -4.919 1.00 . A A . 28 ASN OD1 1 1 5 2727 1 1 29 ALA C C -1.738 1.442 -3.525 1.00 . A A . 29 ALA C 1 1 5 2728 1 1 29 ALA CA C -0.617 1.039 -2.570 1.00 . A A . 29 ALA CA 1 1 5 2729 1 1 29 ALA CB C -0.383 2.137 -1.544 1.00 . A A . 29 ALA CB 1 1 5 2730 1 1 29 ALA H H 0.964 1.404 -3.928 1.00 . A A . 29 ALA H 1 1 5 2731 1 1 29 ALA HA H -0.933 0.159 -2.033 1.00 . A A . 29 ALA HA 1 1 5 2732 1 1 29 ALA HB1 H -1.264 2.250 -0.929 1.00 . A A . 29 ALA HB1 1 1 5 2733 1 1 29 ALA HB2 H -0.173 3.070 -2.046 1.00 . A A . 29 ALA HB2 1 1 5 2734 1 1 29 ALA HB3 H 0.457 1.870 -0.919 1.00 . A A . 29 ALA HB3 1 1 5 2735 1 1 29 ALA N N 0.621 0.745 -3.281 1.00 . A A . 29 ALA N 1 1 5 2736 1 1 29 ALA O O -1.497 2.080 -4.552 1.00 . A A . 29 ALA O 1 1 5 2737 1 1 30 LYS C C -5.337 1.522 -2.969 1.00 . A A . 30 LYS C 1 1 5 2738 1 1 30 LYS CA C -4.154 1.421 -3.928 1.00 . A A . 30 LYS CA 1 1 5 2739 1 1 30 LYS CB C -4.445 0.375 -5.006 1.00 . A A . 30 LYS CB 1 1 5 2740 1 1 30 LYS CD C -5.870 -0.355 -6.937 1.00 . A A . 30 LYS CD 1 1 5 2741 1 1 30 LYS CE C -6.830 0.094 -8.025 1.00 . A A . 30 LYS CE 1 1 5 2742 1 1 30 LYS CG C -5.543 0.776 -5.975 1.00 . A A . 30 LYS CG 1 1 5 2743 1 1 30 LYS H H -3.070 0.528 -2.346 1.00 . A A . 30 LYS H 1 1 5 2744 1 1 30 LYS HA H -3.990 2.387 -4.396 1.00 . A A . 30 LYS HA 1 1 5 2745 1 1 30 LYS HB2 H -3.540 0.211 -5.575 1.00 . A A . 30 LYS HB2 1 1 5 2746 1 1 30 LYS HB3 H -4.728 -0.556 -4.527 1.00 . A A . 30 LYS HB3 1 1 5 2747 1 1 30 LYS HD2 H -4.967 -0.692 -7.408 1.00 . A A . 30 LYS HD2 1 1 5 2748 1 1 30 LYS HD3 H -6.319 -1.168 -6.386 1.00 . A A . 30 LYS HD3 1 1 5 2749 1 1 30 LYS HE2 H -7.093 -0.762 -8.628 1.00 . A A . 30 LYS HE2 1 1 5 2750 1 1 30 LYS HE3 H -7.723 0.496 -7.567 1.00 . A A . 30 LYS HE3 1 1 5 2751 1 1 30 LYS HG2 H -6.435 1.029 -5.420 1.00 . A A . 30 LYS HG2 1 1 5 2752 1 1 30 LYS HG3 H -5.206 1.636 -6.533 1.00 . A A . 30 LYS HG3 1 1 5 2753 1 1 30 LYS HZ1 H -6.130 2.029 -8.387 1.00 . A A . 30 LYS HZ1 1 1 5 2754 1 1 30 LYS HZ2 H -6.830 1.288 -9.732 1.00 . A A . 30 LYS HZ2 1 1 5 2755 1 1 30 LYS HZ3 H -5.282 0.830 -9.233 1.00 . A A . 30 LYS HZ3 1 1 5 2756 1 1 30 LYS N N -2.958 1.050 -3.177 1.00 . A A . 30 LYS N 1 1 5 2757 1 1 30 LYS NZ N -6.224 1.131 -8.902 1.00 . A A . 30 LYS NZ 1 1 5 2758 1 1 30 LYS O O -5.516 0.655 -2.117 1.00 . A A . 30 LYS O 1 1 5 2759 1 1 31 CYS C C -8.463 1.962 -2.542 1.00 . A A . 31 CYS C 1 1 5 2760 1 1 31 CYS CA C -7.233 2.775 -2.149 1.00 . A A . 31 CYS CA 1 1 5 2761 1 1 31 CYS CB C -7.597 4.266 -2.021 1.00 . A A . 31 CYS CB 1 1 5 2762 1 1 31 CYS H H -5.966 3.244 -3.788 1.00 . A A . 31 CYS H 1 1 5 2763 1 1 31 CYS HA H -6.904 2.442 -1.188 1.00 . A A . 31 CYS HA 1 1 5 2764 1 1 31 CYS HB2 H -8.135 4.388 -1.109 1.00 . A A . 31 CYS HB2 1 1 5 2765 1 1 31 CYS HB3 H -6.686 4.846 -1.970 1.00 . A A . 31 CYS HB3 1 1 5 2766 1 1 31 CYS N N -6.142 2.568 -3.091 1.00 . A A . 31 CYS N 1 1 5 2767 1 1 31 CYS O O -8.962 2.056 -3.665 1.00 . A A . 31 CYS O 1 1 5 2768 1 1 31 CYS SG S -8.606 4.934 -3.384 1.00 . A A . 31 CYS SG 1 1 5 2769 1 1 32 ILE C C -10.862 0.382 -0.395 1.00 . A A . 32 ILE C 1 1 5 2770 1 1 32 ILE CA C -10.160 0.396 -1.745 1.00 . A A . 32 ILE CA 1 1 5 2771 1 1 32 ILE CB C -9.942 -1.055 -2.260 1.00 . A A . 32 ILE CB 1 1 5 2772 1 1 32 ILE CD1 C -9.174 -2.389 -0.210 1.00 . A A . 32 ILE CD1 1 1 5 2773 1 1 32 ILE CG1 C -8.785 -1.752 -1.528 1.00 . A A . 32 ILE CG1 1 1 5 2774 1 1 32 ILE CG2 C -9.699 -1.062 -3.764 1.00 . A A . 32 ILE CG2 1 1 5 2775 1 1 32 ILE H H -8.439 1.085 -0.751 1.00 . A A . 32 ILE H 1 1 5 2776 1 1 32 ILE HA H -10.801 0.923 -2.450 1.00 . A A . 32 ILE HA 1 1 5 2777 1 1 32 ILE HB H -10.856 -1.615 -2.093 1.00 . A A . 32 ILE HB 1 1 5 2778 1 1 32 ILE HD11 H -8.669 -3.336 -0.109 1.00 . A A . 32 ILE HD11 1 1 5 2779 1 1 32 ILE HD12 H -10.244 -2.551 -0.169 1.00 . A A . 32 ILE HD12 1 1 5 2780 1 1 32 ILE HD13 H -8.878 -1.742 0.601 1.00 . A A . 32 ILE HD13 1 1 5 2781 1 1 32 ILE HG12 H -8.398 -2.549 -2.151 1.00 . A A . 32 ILE HG12 1 1 5 2782 1 1 32 ILE HG13 H -7.984 -1.055 -1.333 1.00 . A A . 32 ILE HG13 1 1 5 2783 1 1 32 ILE HG21 H -10.539 -0.605 -4.268 1.00 . A A . 32 ILE HG21 1 1 5 2784 1 1 32 ILE HG22 H -9.587 -2.080 -4.110 1.00 . A A . 32 ILE HG22 1 1 5 2785 1 1 32 ILE HG23 H -8.800 -0.505 -3.988 1.00 . A A . 32 ILE HG23 1 1 5 2786 1 1 32 ILE N N -8.914 1.135 -1.612 1.00 . A A . 32 ILE N 1 1 5 2787 1 1 32 ILE O O -10.199 0.350 0.641 1.00 . A A . 32 ILE O 1 1 5 2788 1 1 33 ASN C C -12.493 1.652 1.711 1.00 . A A . 33 ASN C 1 1 5 2789 1 1 33 ASN CA C -12.965 0.484 0.843 1.00 . A A . 33 ASN CA 1 1 5 2790 1 1 33 ASN CB C -12.830 -0.843 1.612 1.00 . A A . 33 ASN CB 1 1 5 2791 1 1 33 ASN CG C -13.483 -2.018 0.902 1.00 . A A . 33 ASN CG 1 1 5 2792 1 1 33 ASN H H -12.674 0.496 -1.258 1.00 . A A . 33 ASN H 1 1 5 2793 1 1 33 ASN HA H -14.002 0.643 0.584 1.00 . A A . 33 ASN HA 1 1 5 2794 1 1 33 ASN HB2 H -11.787 -1.073 1.752 1.00 . A A . 33 ASN HB2 1 1 5 2795 1 1 33 ASN HB3 H -13.298 -0.737 2.584 1.00 . A A . 33 ASN HB3 1 1 5 2796 1 1 33 ASN HD21 H -13.637 -3.018 2.623 1.00 . A A . 33 ASN HD21 1 1 5 2797 1 1 33 ASN HD22 H -14.241 -3.818 1.216 1.00 . A A . 33 ASN HD22 1 1 5 2798 1 1 33 ASN N N -12.191 0.444 -0.402 1.00 . A A . 33 ASN N 1 1 5 2799 1 1 33 ASN ND2 N -13.819 -3.051 1.656 1.00 . A A . 33 ASN ND2 1 1 5 2800 1 1 33 ASN O O -12.275 1.500 2.914 1.00 . A A . 33 ASN O 1 1 5 2801 1 1 33 ASN OD1 O -13.658 -2.013 -0.317 1.00 . A A . 33 ASN OD1 1 1 5 2802 1 1 34 LYS C C -10.521 3.773 2.500 1.00 . A A . 34 LYS C 1 1 5 2803 1 1 34 LYS CA C -11.772 4.039 1.657 1.00 . A A . 34 LYS CA 1 1 5 2804 1 1 34 LYS CB C -12.831 4.818 2.461 1.00 . A A . 34 LYS CB 1 1 5 2805 1 1 34 LYS CD C -14.263 5.017 4.518 1.00 . A A . 34 LYS CD 1 1 5 2806 1 1 34 LYS CE C -15.426 5.589 3.723 1.00 . A A . 34 LYS CE 1 1 5 2807 1 1 34 LYS CG C -13.390 4.096 3.678 1.00 . A A . 34 LYS CG 1 1 5 2808 1 1 34 LYS H H -12.499 2.837 0.089 1.00 . A A . 34 LYS H 1 1 5 2809 1 1 34 LYS HA H -11.466 4.665 0.830 1.00 . A A . 34 LYS HA 1 1 5 2810 1 1 34 LYS HB2 H -12.394 5.752 2.786 1.00 . A A . 34 LYS HB2 1 1 5 2811 1 1 34 LYS HB3 H -13.649 5.036 1.791 1.00 . A A . 34 LYS HB3 1 1 5 2812 1 1 34 LYS HD2 H -14.657 4.456 5.352 1.00 . A A . 34 LYS HD2 1 1 5 2813 1 1 34 LYS HD3 H -13.657 5.832 4.888 1.00 . A A . 34 LYS HD3 1 1 5 2814 1 1 34 LYS HE2 H -15.993 6.236 4.376 1.00 . A A . 34 LYS HE2 1 1 5 2815 1 1 34 LYS HE3 H -15.055 6.169 2.894 1.00 . A A . 34 LYS HE3 1 1 5 2816 1 1 34 LYS HG2 H -13.984 3.258 3.350 1.00 . A A . 34 LYS HG2 1 1 5 2817 1 1 34 LYS HG3 H -12.572 3.742 4.288 1.00 . A A . 34 LYS HG3 1 1 5 2818 1 1 34 LYS HZ1 H -15.854 3.965 2.481 1.00 . A A . 34 LYS HZ1 1 1 5 2819 1 1 34 LYS HZ2 H -17.182 4.956 2.801 1.00 . A A . 34 LYS HZ2 1 1 5 2820 1 1 34 LYS HZ3 H -16.624 3.892 3.989 1.00 . A A . 34 LYS HZ3 1 1 5 2821 1 1 34 LYS N N -12.315 2.808 1.054 1.00 . A A . 34 LYS N 1 1 5 2822 1 1 34 LYS NZ N -16.331 4.526 3.215 1.00 . A A . 34 LYS NZ 1 1 5 2823 1 1 34 LYS O O -10.261 4.466 3.482 1.00 . A A . 34 LYS O 1 1 5 2824 1 1 35 SER C C -7.425 2.119 1.735 1.00 . A A . 35 SER C 1 1 5 2825 1 1 35 SER CA C -8.493 2.465 2.767 1.00 . A A . 35 SER CA 1 1 5 2826 1 1 35 SER CB C -8.704 1.290 3.726 1.00 . A A . 35 SER CB 1 1 5 2827 1 1 35 SER H H -9.974 2.273 1.294 1.00 . A A . 35 SER H 1 1 5 2828 1 1 35 SER HA H -8.163 3.327 3.337 1.00 . A A . 35 SER HA 1 1 5 2829 1 1 35 SER HB2 H -8.957 0.402 3.163 1.00 . A A . 35 SER HB2 1 1 5 2830 1 1 35 SER HB3 H -7.796 1.116 4.285 1.00 . A A . 35 SER HB3 1 1 5 2831 1 1 35 SER HG H -9.911 0.786 5.185 1.00 . A A . 35 SER HG 1 1 5 2832 1 1 35 SER N N -9.741 2.782 2.096 1.00 . A A . 35 SER N 1 1 5 2833 1 1 35 SER O O -7.676 1.358 0.807 1.00 . A A . 35 SER O 1 1 5 2834 1 1 35 SER OG O -9.756 1.559 4.638 1.00 . A A . 35 SER OG 1 1 5 2835 1 1 36 CYS C C -4.517 1.073 1.246 1.00 . A A . 36 CYS C 1 1 5 2836 1 1 36 CYS CA C -5.179 2.406 0.922 1.00 . A A . 36 CYS CA 1 1 5 2837 1 1 36 CYS CB C -4.159 3.544 0.886 1.00 . A A . 36 CYS CB 1 1 5 2838 1 1 36 CYS H H -6.093 3.301 2.621 1.00 . A A . 36 CYS H 1 1 5 2839 1 1 36 CYS HA H -5.611 2.337 -0.055 1.00 . A A . 36 CYS HA 1 1 5 2840 1 1 36 CYS HB2 H -3.283 3.222 0.339 1.00 . A A . 36 CYS HB2 1 1 5 2841 1 1 36 CYS HB3 H -4.601 4.383 0.367 1.00 . A A . 36 CYS HB3 1 1 5 2842 1 1 36 CYS N N -6.241 2.688 1.871 1.00 . A A . 36 CYS N 1 1 5 2843 1 1 36 CYS O O -3.757 0.950 2.209 1.00 . A A . 36 CYS O 1 1 5 2844 1 1 36 CYS SG S -3.626 4.136 2.524 1.00 . A A . 36 CYS SG 1 1 5 2845 1 1 37 LYS C C -3.051 -1.454 -0.163 1.00 . A A . 37 LYS C 1 1 5 2846 1 1 37 LYS CA C -4.337 -1.275 0.626 1.00 . A A . 37 LYS CA 1 1 5 2847 1 1 37 LYS CB C -5.382 -2.294 0.160 1.00 . A A . 37 LYS CB 1 1 5 2848 1 1 37 LYS CD C -5.937 -4.683 -0.373 1.00 . A A . 37 LYS CD 1 1 5 2849 1 1 37 LYS CE C -6.054 -4.398 -1.864 1.00 . A A . 37 LYS CE 1 1 5 2850 1 1 37 LYS CG C -4.943 -3.745 0.290 1.00 . A A . 37 LYS CG 1 1 5 2851 1 1 37 LYS H H -5.477 0.236 -0.298 1.00 . A A . 37 LYS H 1 1 5 2852 1 1 37 LYS HA H -4.142 -1.437 1.682 1.00 . A A . 37 LYS HA 1 1 5 2853 1 1 37 LYS HB2 H -6.278 -2.160 0.751 1.00 . A A . 37 LYS HB2 1 1 5 2854 1 1 37 LYS HB3 H -5.608 -2.073 -0.866 1.00 . A A . 37 LYS HB3 1 1 5 2855 1 1 37 LYS HD2 H -5.599 -5.700 -0.239 1.00 . A A . 37 LYS HD2 1 1 5 2856 1 1 37 LYS HD3 H -6.905 -4.562 0.089 1.00 . A A . 37 LYS HD3 1 1 5 2857 1 1 37 LYS HE2 H -6.322 -3.369 -2.025 1.00 . A A . 37 LYS HE2 1 1 5 2858 1 1 37 LYS HE3 H -5.103 -4.601 -2.334 1.00 . A A . 37 LYS HE3 1 1 5 2859 1 1 37 LYS HG2 H -3.978 -3.882 -0.175 1.00 . A A . 37 LYS HG2 1 1 5 2860 1 1 37 LYS HG3 H -4.876 -3.995 1.338 1.00 . A A . 37 LYS HG3 1 1 5 2861 1 1 37 LYS HZ1 H -8.024 -5.050 -2.083 1.00 . A A . 37 LYS HZ1 1 1 5 2862 1 1 37 LYS HZ2 H -6.866 -6.244 -2.402 1.00 . A A . 37 LYS HZ2 1 1 5 2863 1 1 37 LYS HZ3 H -7.144 -5.013 -3.526 1.00 . A A . 37 LYS HZ3 1 1 5 2864 1 1 37 LYS N N -4.846 0.071 0.444 1.00 . A A . 37 LYS N 1 1 5 2865 1 1 37 LYS NZ N -7.093 -5.234 -2.511 1.00 . A A . 37 LYS NZ 1 1 5 2866 1 1 37 LYS O O -2.954 -1.025 -1.312 1.00 . A A . 37 LYS O 1 1 5 2867 1 1 38 CYS C C -0.822 -3.691 -0.885 1.00 . A A . 38 CYS C 1 1 5 2868 1 1 38 CYS CA C -0.802 -2.327 -0.198 1.00 . A A . 38 CYS CA 1 1 5 2869 1 1 38 CYS CB C 0.343 -2.261 0.819 1.00 . A A . 38 CYS CB 1 1 5 2870 1 1 38 CYS H H -2.202 -2.394 1.383 1.00 . A A . 38 CYS H 1 1 5 2871 1 1 38 CYS HA H -0.649 -1.566 -0.934 1.00 . A A . 38 CYS HA 1 1 5 2872 1 1 38 CYS HB2 H 0.170 -3.003 1.587 1.00 . A A . 38 CYS HB2 1 1 5 2873 1 1 38 CYS HB3 H 1.276 -2.484 0.320 1.00 . A A . 38 CYS HB3 1 1 5 2874 1 1 38 CYS N N -2.070 -2.074 0.458 1.00 . A A . 38 CYS N 1 1 5 2875 1 1 38 CYS O O -1.467 -4.627 -0.409 1.00 . A A . 38 CYS O 1 1 5 2876 1 1 38 CYS SG S 0.510 -0.646 1.653 1.00 . A A . 38 CYS SG 1 1 5 2877 1 1 39 TYR C C 1.006 -5.983 -2.100 1.00 . A A . 39 TYR C 1 1 5 2878 1 1 39 TYR CA C -0.013 -5.054 -2.753 1.00 . A A . 39 TYR CA 1 1 5 2879 1 1 39 TYR CB C 0.442 -4.800 -4.195 1.00 . A A . 39 TYR CB 1 1 5 2880 1 1 39 TYR CD1 C -0.546 -2.598 -4.952 1.00 . A A . 39 TYR CD1 1 1 5 2881 1 1 39 TYR CD2 C -1.305 -4.599 -6.003 1.00 . A A . 39 TYR CD2 1 1 5 2882 1 1 39 TYR CE1 C -1.372 -1.851 -5.768 1.00 . A A . 39 TYR CE1 1 1 5 2883 1 1 39 TYR CE2 C -2.140 -3.859 -6.816 1.00 . A A . 39 TYR CE2 1 1 5 2884 1 1 39 TYR CG C -0.497 -3.984 -5.054 1.00 . A A . 39 TYR CG 1 1 5 2885 1 1 39 TYR CZ C -2.168 -2.485 -6.697 1.00 . A A . 39 TYR CZ 1 1 5 2886 1 1 39 TYR H H 0.386 -3.013 -2.330 1.00 . A A . 39 TYR H 1 1 5 2887 1 1 39 TYR HA H -0.982 -5.537 -2.766 1.00 . A A . 39 TYR HA 1 1 5 2888 1 1 39 TYR HB2 H 1.390 -4.295 -4.173 1.00 . A A . 39 TYR HB2 1 1 5 2889 1 1 39 TYR HB3 H 0.584 -5.758 -4.688 1.00 . A A . 39 TYR HB3 1 1 5 2890 1 1 39 TYR HD1 H 0.053 -2.111 -4.233 1.00 . A A . 39 TYR HD1 1 1 5 2891 1 1 39 TYR HD2 H -1.285 -5.676 -6.097 1.00 . A A . 39 TYR HD2 1 1 5 2892 1 1 39 TYR HE1 H -1.395 -0.775 -5.673 1.00 . A A . 39 TYR HE1 1 1 5 2893 1 1 39 TYR HE2 H -2.764 -4.356 -7.544 1.00 . A A . 39 TYR HE2 1 1 5 2894 1 1 39 TYR HH H -2.518 -1.567 -8.350 1.00 . A A . 39 TYR HH 1 1 5 2895 1 1 39 TYR N N -0.113 -3.798 -2.006 1.00 . A A . 39 TYR N 1 1 5 2896 1 1 39 TYR O O 1.548 -6.878 -2.752 1.00 . A A . 39 TYR O 1 1 5 2897 1 1 39 TYR OH O -2.979 -1.744 -7.527 1.00 . A A . 39 TYR OH 1 1 5 2898 1 1 40 GLY C C 3.688 -5.954 -0.703 1.00 . A A . 40 GLY C 1 1 5 2899 1 1 40 GLY CA C 2.364 -6.447 -0.164 1.00 . A A . 40 GLY CA 1 1 5 2900 1 1 40 GLY H H 0.826 -5.066 -0.327 1.00 . A A . 40 GLY H 1 1 5 2901 1 1 40 GLY HA2 H 2.317 -6.240 0.897 1.00 . A A . 40 GLY HA2 1 1 5 2902 1 1 40 GLY HA3 H 2.282 -7.516 -0.317 1.00 . A A . 40 GLY HA3 1 1 5 2903 1 1 40 GLY N N 1.266 -5.769 -0.819 1.00 . A A . 40 GLY N 1 1 5 2904 1 1 40 GLY O O 4.158 -4.882 -0.320 1.00 . A A . 40 GLY O 1 1 5 2905 1 1 41 CYS C C 5.837 -7.399 -3.342 1.00 . A A . 41 CYS C 1 1 5 2906 1 1 41 CYS CA C 5.473 -6.329 -2.324 1.00 . A A . 41 CYS CA 1 1 5 2907 1 1 41 CYS CB C 6.642 -6.095 -1.366 1.00 . A A . 41 CYS CB 1 1 5 2908 1 1 41 CYS H H 3.813 -7.561 -1.881 1.00 . A A . 41 CYS H 1 1 5 2909 1 1 41 CYS HA H 5.256 -5.409 -2.854 1.00 . A A . 41 CYS HA 1 1 5 2910 1 1 41 CYS HB2 H 6.326 -5.464 -0.557 1.00 . A A . 41 CYS HB2 1 1 5 2911 1 1 41 CYS HB3 H 6.967 -7.043 -0.957 1.00 . A A . 41 CYS HB3 1 1 5 2912 1 1 41 CYS N N 4.266 -6.725 -1.612 1.00 . A A . 41 CYS N 1 1 5 2913 1 1 41 CYS O O 6.383 -8.449 -2.941 1.00 . A A . 41 CYS O 1 1 5 2914 1 1 41 CYS OXT O 5.546 -7.205 -4.537 1.00 . A A . 41 CYS OXT 1 1 5 2915 1 1 41 CYS SG S 8.086 -5.316 -2.154 1.00 . A A . 41 CYS SG 1 1 6 2916 1 1 1 TRP C C 3.011 1.254 11.582 1.00 . A A . 1 TRP C 1 1 6 2917 1 1 1 TRP CA C 2.747 -0.141 12.141 1.00 . A A . 1 TRP CA 1 1 6 2918 1 1 1 TRP CB C 3.587 -1.166 11.378 1.00 . A A . 1 TRP CB 1 1 6 2919 1 1 1 TRP CD1 C 3.006 -3.544 12.145 1.00 . A A . 1 TRP CD1 1 1 6 2920 1 1 1 TRP CD2 C 4.922 -2.745 12.978 1.00 . A A . 1 TRP CD2 1 1 6 2921 1 1 1 TRP CE2 C 4.730 -4.046 13.470 1.00 . A A . 1 TRP CE2 1 1 6 2922 1 1 1 TRP CE3 C 6.064 -2.040 13.366 1.00 . A A . 1 TRP CE3 1 1 6 2923 1 1 1 TRP CG C 3.810 -2.442 12.130 1.00 . A A . 1 TRP CG 1 1 6 2924 1 1 1 TRP CH2 C 6.743 -3.945 14.694 1.00 . A A . 1 TRP CH2 1 1 6 2925 1 1 1 TRP CZ2 C 5.637 -4.658 14.332 1.00 . A A . 1 TRP CZ2 1 1 6 2926 1 1 1 TRP CZ3 C 6.961 -2.648 14.220 1.00 . A A . 1 TRP CZ3 1 1 6 2927 1 1 1 TRP H1 H 0.757 0.299 12.476 1.00 . A A . 1 TRP H1 1 1 6 2928 1 1 1 TRP H2 H 1.170 -1.354 12.642 1.00 . A A . 1 TRP H2 1 1 6 2929 1 1 1 TRP H3 H 1.046 -0.660 11.081 1.00 . A A . 1 TRP H3 1 1 6 2930 1 1 1 TRP HA H 3.041 -0.144 13.182 1.00 . A A . 1 TRP HA 1 1 6 2931 1 1 1 TRP HB2 H 3.088 -1.410 10.453 1.00 . A A . 1 TRP HB2 1 1 6 2932 1 1 1 TRP HB3 H 4.561 -0.746 11.150 1.00 . A A . 1 TRP HB3 1 1 6 2933 1 1 1 TRP HD1 H 2.078 -3.628 11.600 1.00 . A A . 1 TRP HD1 1 1 6 2934 1 1 1 TRP HE1 H 3.167 -5.398 13.120 1.00 . A A . 1 TRP HE1 1 1 6 2935 1 1 1 TRP HE3 H 6.250 -1.037 13.010 1.00 . A A . 1 TRP HE3 1 1 6 2936 1 1 1 TRP HH2 H 7.472 -4.380 15.361 1.00 . A A . 1 TRP HH2 1 1 6 2937 1 1 1 TRP HZ2 H 5.484 -5.659 14.707 1.00 . A A . 1 TRP HZ2 1 1 6 2938 1 1 1 TRP HZ3 H 7.849 -2.118 14.532 1.00 . A A . 1 TRP HZ3 1 1 6 2939 1 1 1 TRP N N 1.307 -0.491 12.075 1.00 . A A . 1 TRP N 1 1 6 2940 1 1 1 TRP NE1 N 3.555 -4.514 12.949 1.00 . A A . 1 TRP NE1 1 1 6 2941 1 1 1 TRP O O 3.953 1.923 12.001 1.00 . A A . 1 TRP O 1 1 6 2942 1 1 2 CYS C C 1.574 4.061 10.853 1.00 . A A . 2 CYS C 1 1 6 2943 1 1 2 CYS CA C 2.368 3.026 10.061 1.00 . A A . 2 CYS CA 1 1 6 2944 1 1 2 CYS CB C 1.960 3.041 8.585 1.00 . A A . 2 CYS CB 1 1 6 2945 1 1 2 CYS H H 1.463 1.131 10.322 1.00 . A A . 2 CYS H 1 1 6 2946 1 1 2 CYS HA H 3.423 3.283 10.109 1.00 . A A . 2 CYS HA 1 1 6 2947 1 1 2 CYS HB2 H 2.009 4.054 8.212 1.00 . A A . 2 CYS HB2 1 1 6 2948 1 1 2 CYS HB3 H 2.660 2.440 8.035 1.00 . A A . 2 CYS HB3 1 1 6 2949 1 1 2 CYS N N 2.195 1.695 10.632 1.00 . A A . 2 CYS N 1 1 6 2950 1 1 2 CYS O O 0.342 4.039 10.876 1.00 . A A . 2 CYS O 1 1 6 2951 1 1 2 CYS SG S 0.294 2.381 8.253 1.00 . A A . 2 CYS SG 1 1 6 2952 1 1 3 SER C C 1.021 7.073 11.476 1.00 . A A . 3 SER C 1 1 6 2953 1 1 3 SER CA C 1.669 5.990 12.339 1.00 . A A . 3 SER CA 1 1 6 2954 1 1 3 SER CB C 2.717 6.605 13.278 1.00 . A A . 3 SER CB 1 1 6 2955 1 1 3 SER H H 3.275 4.940 11.447 1.00 . A A . 3 SER H 1 1 6 2956 1 1 3 SER HA H 0.900 5.520 12.940 1.00 . A A . 3 SER HA 1 1 6 2957 1 1 3 SER HB2 H 3.142 5.827 13.895 1.00 . A A . 3 SER HB2 1 1 6 2958 1 1 3 SER HB3 H 3.500 7.061 12.689 1.00 . A A . 3 SER HB3 1 1 6 2959 1 1 3 SER HG H 1.683 7.168 14.847 1.00 . A A . 3 SER HG 1 1 6 2960 1 1 3 SER N N 2.290 4.971 11.505 1.00 . A A . 3 SER N 1 1 6 2961 1 1 3 SER O O 0.191 7.849 11.952 1.00 . A A . 3 SER O 1 1 6 2962 1 1 3 SER OG O 2.147 7.592 14.121 1.00 . A A . 3 SER OG 1 1 6 2963 1 1 4 THR C C -0.473 7.649 8.690 1.00 . A A . 4 THR C 1 1 6 2964 1 1 4 THR CA C 0.864 8.096 9.278 1.00 . A A . 4 THR CA 1 1 6 2965 1 1 4 THR CB C 1.857 8.361 8.131 1.00 . A A . 4 THR CB 1 1 6 2966 1 1 4 THR CG2 C 3.002 9.250 8.587 1.00 . A A . 4 THR CG2 1 1 6 2967 1 1 4 THR H H 2.062 6.474 9.866 1.00 . A A . 4 THR H 1 1 6 2968 1 1 4 THR HA H 0.699 9.024 9.817 1.00 . A A . 4 THR HA 1 1 6 2969 1 1 4 THR HB H 1.352 8.866 7.315 1.00 . A A . 4 THR HB 1 1 6 2970 1 1 4 THR HG1 H 1.672 6.489 7.494 1.00 . A A . 4 THR HG1 1 1 6 2971 1 1 4 THR HG21 H 3.534 8.769 9.395 1.00 . A A . 4 THR HG21 1 1 6 2972 1 1 4 THR HG22 H 2.611 10.198 8.927 1.00 . A A . 4 THR HG22 1 1 6 2973 1 1 4 THR HG23 H 3.678 9.416 7.761 1.00 . A A . 4 THR HG23 1 1 6 2974 1 1 4 THR N N 1.398 7.111 10.206 1.00 . A A . 4 THR N 1 1 6 2975 1 1 4 THR O O -1.113 8.392 7.949 1.00 . A A . 4 THR O 1 1 6 2976 1 1 4 THR OG1 O 2.379 7.117 7.641 1.00 . A A . 4 THR OG1 1 1 6 2977 1 1 5 CYS C C -3.315 6.206 9.383 1.00 . A A . 5 CYS C 1 1 6 2978 1 1 5 CYS CA C -2.128 5.888 8.477 1.00 . A A . 5 CYS CA 1 1 6 2979 1 1 5 CYS CB C -2.000 4.372 8.292 1.00 . A A . 5 CYS CB 1 1 6 2980 1 1 5 CYS H H -0.362 5.868 9.616 1.00 . A A . 5 CYS H 1 1 6 2981 1 1 5 CYS HA H -2.310 6.332 7.504 1.00 . A A . 5 CYS HA 1 1 6 2982 1 1 5 CYS HB2 H -1.858 3.912 9.259 1.00 . A A . 5 CYS HB2 1 1 6 2983 1 1 5 CYS HB3 H -2.913 3.992 7.852 1.00 . A A . 5 CYS HB3 1 1 6 2984 1 1 5 CYS N N -0.894 6.437 9.023 1.00 . A A . 5 CYS N 1 1 6 2985 1 1 5 CYS O O -3.779 5.352 10.135 1.00 . A A . 5 CYS O 1 1 6 2986 1 1 5 CYS SG S -0.620 3.867 7.211 1.00 . A A . 5 CYS SG 1 1 6 2987 1 1 6 LEU C C -6.070 8.396 9.228 1.00 . A A . 6 LEU C 1 1 6 2988 1 1 6 LEU CA C -4.954 7.839 10.112 1.00 . A A . 6 LEU CA 1 1 6 2989 1 1 6 LEU CB C -4.579 8.861 11.202 1.00 . A A . 6 LEU CB 1 1 6 2990 1 1 6 LEU CD1 C -4.217 11.252 11.855 1.00 . A A . 6 LEU CD1 1 1 6 2991 1 1 6 LEU CD2 C -2.709 10.210 10.172 1.00 . A A . 6 LEU CD2 1 1 6 2992 1 1 6 LEU CG C -4.131 10.248 10.717 1.00 . A A . 6 LEU CG 1 1 6 2993 1 1 6 LEU H H -3.389 8.084 8.709 1.00 . A A . 6 LEU H 1 1 6 2994 1 1 6 LEU HA H -5.354 6.962 10.608 1.00 . A A . 6 LEU HA 1 1 6 2995 1 1 6 LEU HB2 H -5.448 8.984 11.838 1.00 . A A . 6 LEU HB2 1 1 6 2996 1 1 6 LEU HB3 H -3.787 8.433 11.803 1.00 . A A . 6 LEU HB3 1 1 6 2997 1 1 6 LEU HD11 H -3.925 12.231 11.499 1.00 . A A . 6 LEU HD11 1 1 6 2998 1 1 6 LEU HD12 H -3.559 10.952 12.660 1.00 . A A . 6 LEU HD12 1 1 6 2999 1 1 6 LEU HD13 H -5.233 11.297 12.222 1.00 . A A . 6 LEU HD13 1 1 6 3000 1 1 6 LEU HD21 H -2.090 9.567 10.784 1.00 . A A . 6 LEU HD21 1 1 6 3001 1 1 6 LEU HD22 H -2.286 11.208 10.166 1.00 . A A . 6 LEU HD22 1 1 6 3002 1 1 6 LEU HD23 H -2.723 9.840 9.164 1.00 . A A . 6 LEU HD23 1 1 6 3003 1 1 6 LEU HG H -4.780 10.603 9.942 1.00 . A A . 6 LEU HG 1 1 6 3004 1 1 6 LEU N N -3.795 7.444 9.322 1.00 . A A . 6 LEU N 1 1 6 3005 1 1 6 LEU O O -7.241 8.076 9.425 1.00 . A A . 6 LEU O 1 1 6 3006 1 1 7 ASP C C -6.157 10.015 5.971 1.00 . A A . 7 ASP C 1 1 6 3007 1 1 7 ASP CA C -6.704 9.852 7.385 1.00 . A A . 7 ASP CA 1 1 6 3008 1 1 7 ASP CB C -7.098 11.219 7.952 1.00 . A A . 7 ASP CB 1 1 6 3009 1 1 7 ASP CG C -8.388 11.762 7.359 1.00 . A A . 7 ASP CG 1 1 6 3010 1 1 7 ASP H H -4.763 9.454 8.125 1.00 . A A . 7 ASP H 1 1 6 3011 1 1 7 ASP HA H -7.585 9.218 7.339 1.00 . A A . 7 ASP HA 1 1 6 3012 1 1 7 ASP HB2 H -7.240 11.123 9.020 1.00 . A A . 7 ASP HB2 1 1 6 3013 1 1 7 ASP HB3 H -6.308 11.937 7.772 1.00 . A A . 7 ASP HB3 1 1 6 3014 1 1 7 ASP N N -5.710 9.222 8.250 1.00 . A A . 7 ASP N 1 1 6 3015 1 1 7 ASP O O -5.635 11.068 5.614 1.00 . A A . 7 ASP O 1 1 6 3016 1 1 7 ASP OD1 O -8.389 12.193 6.190 1.00 . A A . 7 ASP OD1 1 1 6 3017 1 1 7 ASP OD2 O -9.412 11.768 8.075 1.00 . A A . 7 ASP OD2 1 1 6 3018 1 1 8 LEU C C -6.882 8.472 2.878 1.00 . A A . 8 LEU C 1 1 6 3019 1 1 8 LEU CA C -5.785 8.985 3.800 1.00 . A A . 8 LEU CA 1 1 6 3020 1 1 8 LEU CB C -4.522 8.124 3.599 1.00 . A A . 8 LEU CB 1 1 6 3021 1 1 8 LEU CD1 C -2.978 10.079 3.963 1.00 . A A . 8 LEU CD1 1 1 6 3022 1 1 8 LEU CD2 C -3.257 8.364 5.762 1.00 . A A . 8 LEU CD2 1 1 6 3023 1 1 8 LEU CG C -3.229 8.613 4.266 1.00 . A A . 8 LEU CG 1 1 6 3024 1 1 8 LEU H H -6.648 8.121 5.531 1.00 . A A . 8 LEU H 1 1 6 3025 1 1 8 LEU HA H -5.574 10.004 3.510 1.00 . A A . 8 LEU HA 1 1 6 3026 1 1 8 LEU HB2 H -4.733 7.124 3.952 1.00 . A A . 8 LEU HB2 1 1 6 3027 1 1 8 LEU HB3 H -4.323 8.065 2.539 1.00 . A A . 8 LEU HB3 1 1 6 3028 1 1 8 LEU HD11 H -2.036 10.378 4.401 1.00 . A A . 8 LEU HD11 1 1 6 3029 1 1 8 LEU HD12 H -3.761 10.688 4.368 1.00 . A A . 8 LEU HD12 1 1 6 3030 1 1 8 LEU HD13 H -2.924 10.219 2.897 1.00 . A A . 8 LEU HD13 1 1 6 3031 1 1 8 LEU HD21 H -3.969 7.585 6.004 1.00 . A A . 8 LEU HD21 1 1 6 3032 1 1 8 LEU HD22 H -3.523 9.266 6.297 1.00 . A A . 8 LEU HD22 1 1 6 3033 1 1 8 LEU HD23 H -2.279 8.045 6.068 1.00 . A A . 8 LEU HD23 1 1 6 3034 1 1 8 LEU HG H -2.400 8.053 3.856 1.00 . A A . 8 LEU HG 1 1 6 3035 1 1 8 LEU N N -6.247 8.953 5.184 1.00 . A A . 8 LEU N 1 1 6 3036 1 1 8 LEU O O -6.593 7.933 1.805 1.00 . A A . 8 LEU O 1 1 6 3037 1 1 9 ALA C C -9.408 8.398 1.182 1.00 . A A . 9 ALA C 1 1 6 3038 1 1 9 ALA CA C -9.309 8.084 2.672 1.00 . A A . 9 ALA CA 1 1 6 3039 1 1 9 ALA CB C -10.563 8.546 3.398 1.00 . A A . 9 ALA CB 1 1 6 3040 1 1 9 ALA H H -8.267 9.163 4.148 1.00 . A A . 9 ALA H 1 1 6 3041 1 1 9 ALA HA H -9.228 7.026 2.794 1.00 . A A . 9 ALA HA 1 1 6 3042 1 1 9 ALA HB1 H -10.662 9.618 3.303 1.00 . A A . 9 ALA HB1 1 1 6 3043 1 1 9 ALA HB2 H -10.488 8.285 4.443 1.00 . A A . 9 ALA HB2 1 1 6 3044 1 1 9 ALA HB3 H -11.431 8.065 2.971 1.00 . A A . 9 ALA HB3 1 1 6 3045 1 1 9 ALA N N -8.130 8.687 3.297 1.00 . A A . 9 ALA N 1 1 6 3046 1 1 9 ALA O O -10.148 9.294 0.767 1.00 . A A . 9 ALA O 1 1 6 3047 1 1 10 CYS C C -8.147 9.261 -1.362 1.00 . A A . 10 CYS C 1 1 6 3048 1 1 10 CYS CA C -8.573 7.836 -1.048 1.00 . A A . 10 CYS CA 1 1 6 3049 1 1 10 CYS CB C -9.891 7.486 -1.738 1.00 . A A . 10 CYS CB 1 1 6 3050 1 1 10 CYS H H -8.089 6.952 0.797 1.00 . A A . 10 CYS H 1 1 6 3051 1 1 10 CYS HA H -7.789 7.204 -1.425 1.00 . A A . 10 CYS HA 1 1 6 3052 1 1 10 CYS HB2 H -10.703 7.983 -1.231 1.00 . A A . 10 CYS HB2 1 1 6 3053 1 1 10 CYS HB3 H -9.861 7.816 -2.769 1.00 . A A . 10 CYS HB3 1 1 6 3054 1 1 10 CYS N N -8.658 7.640 0.389 1.00 . A A . 10 CYS N 1 1 6 3055 1 1 10 CYS O O -8.708 9.921 -2.236 1.00 . A A . 10 CYS O 1 1 6 3056 1 1 10 CYS SG S -10.262 5.697 -1.756 1.00 . A A . 10 CYS SG 1 1 6 3057 1 1 11 THR C C -5.644 10.998 -2.084 1.00 . A A . 11 THR C 1 1 6 3058 1 1 11 THR CA C -6.586 11.054 -0.883 1.00 . A A . 11 THR CA 1 1 6 3059 1 1 11 THR CB C -5.838 11.604 0.356 1.00 . A A . 11 THR CB 1 1 6 3060 1 1 11 THR CG2 C -4.630 10.744 0.697 1.00 . A A . 11 THR CG2 1 1 6 3061 1 1 11 THR H H -6.730 9.159 0.053 1.00 . A A . 11 THR H 1 1 6 3062 1 1 11 THR HA H -7.401 11.729 -1.119 1.00 . A A . 11 THR HA 1 1 6 3063 1 1 11 THR HB H -6.506 11.598 1.206 1.00 . A A . 11 THR HB 1 1 6 3064 1 1 11 THR HG1 H -6.147 13.551 0.244 1.00 . A A . 11 THR HG1 1 1 6 3065 1 1 11 THR HG21 H -3.912 10.779 -0.106 1.00 . A A . 11 THR HG21 1 1 6 3066 1 1 11 THR HG22 H -4.933 9.724 0.867 1.00 . A A . 11 THR HG22 1 1 6 3067 1 1 11 THR HG23 H -4.175 11.133 1.591 1.00 . A A . 11 THR HG23 1 1 6 3068 1 1 11 THR N N -7.142 9.732 -0.631 1.00 . A A . 11 THR N 1 1 6 3069 1 1 11 THR O O -5.278 12.023 -2.662 1.00 . A A . 11 THR O 1 1 6 3070 1 1 11 THR OG1 O -5.407 12.951 0.123 1.00 . A A . 11 THR OG1 1 1 6 3071 1 1 12 GLY C C -3.489 8.411 -3.404 1.00 . A A . 12 GLY C 1 1 6 3072 1 1 12 GLY CA C -4.419 9.585 -3.606 1.00 . A A . 12 GLY CA 1 1 6 3073 1 1 12 GLY H H -5.592 8.992 -1.980 1.00 . A A . 12 GLY H 1 1 6 3074 1 1 12 GLY HA2 H -5.039 9.409 -4.473 1.00 . A A . 12 GLY HA2 1 1 6 3075 1 1 12 GLY HA3 H -3.817 10.469 -3.784 1.00 . A A . 12 GLY HA3 1 1 6 3076 1 1 12 GLY N N -5.274 9.784 -2.462 1.00 . A A . 12 GLY N 1 1 6 3077 1 1 12 GLY O O -2.895 8.268 -2.334 1.00 . A A . 12 GLY O 1 1 6 3078 1 1 13 SER C C -1.052 6.886 -4.124 1.00 . A A . 13 SER C 1 1 6 3079 1 1 13 SER CA C -2.484 6.412 -4.337 1.00 . A A . 13 SER CA 1 1 6 3080 1 1 13 SER CB C -2.596 5.573 -5.612 1.00 . A A . 13 SER CB 1 1 6 3081 1 1 13 SER H H -3.887 7.718 -5.239 1.00 . A A . 13 SER H 1 1 6 3082 1 1 13 SER HA H -2.781 5.806 -3.490 1.00 . A A . 13 SER HA 1 1 6 3083 1 1 13 SER HB2 H -2.255 6.152 -6.460 1.00 . A A . 13 SER HB2 1 1 6 3084 1 1 13 SER HB3 H -1.986 4.686 -5.513 1.00 . A A . 13 SER HB3 1 1 6 3085 1 1 13 SER HG H -4.404 5.867 -6.323 1.00 . A A . 13 SER HG 1 1 6 3086 1 1 13 SER N N -3.374 7.559 -4.411 1.00 . A A . 13 SER N 1 1 6 3087 1 1 13 SER O O -0.347 6.371 -3.262 1.00 . A A . 13 SER O 1 1 6 3088 1 1 13 SER OG O -3.941 5.178 -5.840 1.00 . A A . 13 SER OG 1 1 6 3089 1 1 14 LYS C C 0.954 8.965 -3.342 1.00 . A A . 14 LYS C 1 1 6 3090 1 1 14 LYS CA C 0.669 8.508 -4.777 1.00 . A A . 14 LYS CA 1 1 6 3091 1 1 14 LYS CB C 0.779 9.706 -5.730 1.00 . A A . 14 LYS CB 1 1 6 3092 1 1 14 LYS CD C -0.078 11.995 -6.356 1.00 . A A . 14 LYS CD 1 1 6 3093 1 1 14 LYS CE C -1.087 13.087 -6.031 1.00 . A A . 14 LYS CE 1 1 6 3094 1 1 14 LYS CG C -0.275 10.776 -5.474 1.00 . A A . 14 LYS CG 1 1 6 3095 1 1 14 LYS H H -1.292 8.275 -5.543 1.00 . A A . 14 LYS H 1 1 6 3096 1 1 14 LYS HA H 1.400 7.766 -5.060 1.00 . A A . 14 LYS HA 1 1 6 3097 1 1 14 LYS HB2 H 1.761 10.152 -5.626 1.00 . A A . 14 LYS HB2 1 1 6 3098 1 1 14 LYS HB3 H 0.662 9.353 -6.744 1.00 . A A . 14 LYS HB3 1 1 6 3099 1 1 14 LYS HD2 H 0.918 12.387 -6.203 1.00 . A A . 14 LYS HD2 1 1 6 3100 1 1 14 LYS HD3 H -0.198 11.703 -7.389 1.00 . A A . 14 LYS HD3 1 1 6 3101 1 1 14 LYS HE2 H -0.904 13.931 -6.680 1.00 . A A . 14 LYS HE2 1 1 6 3102 1 1 14 LYS HE3 H -2.084 12.708 -6.209 1.00 . A A . 14 LYS HE3 1 1 6 3103 1 1 14 LYS HG2 H -1.252 10.364 -5.669 1.00 . A A . 14 LYS HG2 1 1 6 3104 1 1 14 LYS HG3 H -0.216 11.087 -4.444 1.00 . A A . 14 LYS HG3 1 1 6 3105 1 1 14 LYS HZ1 H -1.195 14.554 -4.556 1.00 . A A . 14 LYS HZ1 1 1 6 3106 1 1 14 LYS HZ2 H -0.028 13.374 -4.233 1.00 . A A . 14 LYS HZ2 1 1 6 3107 1 1 14 LYS HZ3 H -1.671 13.024 -4.036 1.00 . A A . 14 LYS HZ3 1 1 6 3108 1 1 14 LYS N N -0.657 7.903 -4.889 1.00 . A A . 14 LYS N 1 1 6 3109 1 1 14 LYS NZ N -0.984 13.537 -4.617 1.00 . A A . 14 LYS NZ 1 1 6 3110 1 1 14 LYS O O 2.100 8.963 -2.893 1.00 . A A . 14 LYS O 1 1 6 3111 1 1 15 ASP C C 0.203 8.601 -0.336 1.00 . A A . 15 ASP C 1 1 6 3112 1 1 15 ASP CA C 0.017 9.797 -1.250 1.00 . A A . 15 ASP CA 1 1 6 3113 1 1 15 ASP CB C -1.230 10.578 -0.827 1.00 . A A . 15 ASP CB 1 1 6 3114 1 1 15 ASP CG C -1.366 11.900 -1.549 1.00 . A A . 15 ASP CG 1 1 6 3115 1 1 15 ASP H H -0.990 9.349 -3.044 1.00 . A A . 15 ASP H 1 1 6 3116 1 1 15 ASP HA H 0.885 10.441 -1.162 1.00 . A A . 15 ASP HA 1 1 6 3117 1 1 15 ASP HB2 H -2.103 9.991 -1.031 1.00 . A A . 15 ASP HB2 1 1 6 3118 1 1 15 ASP HB3 H -1.183 10.781 0.236 1.00 . A A . 15 ASP HB3 1 1 6 3119 1 1 15 ASP N N -0.100 9.356 -2.634 1.00 . A A . 15 ASP N 1 1 6 3120 1 1 15 ASP O O 1.090 8.585 0.515 1.00 . A A . 15 ASP O 1 1 6 3121 1 1 15 ASP OD1 O -1.774 11.901 -2.728 1.00 . A A . 15 ASP OD1 1 1 6 3122 1 1 15 ASP OD2 O -1.063 12.946 -0.940 1.00 . A A . 15 ASP OD2 1 1 6 3123 1 1 16 CYS C C 0.686 5.581 -0.010 1.00 . A A . 16 CYS C 1 1 6 3124 1 1 16 CYS CA C -0.591 6.379 0.261 1.00 . A A . 16 CYS CA 1 1 6 3125 1 1 16 CYS CB C -1.831 5.529 -0.019 1.00 . A A . 16 CYS CB 1 1 6 3126 1 1 16 CYS H H -1.309 7.669 -1.253 1.00 . A A . 16 CYS H 1 1 6 3127 1 1 16 CYS HA H -0.601 6.665 1.306 1.00 . A A . 16 CYS HA 1 1 6 3128 1 1 16 CYS HB2 H -1.846 5.253 -1.063 1.00 . A A . 16 CYS HB2 1 1 6 3129 1 1 16 CYS HB3 H -1.791 4.636 0.587 1.00 . A A . 16 CYS HB3 1 1 6 3130 1 1 16 CYS N N -0.631 7.594 -0.539 1.00 . A A . 16 CYS N 1 1 6 3131 1 1 16 CYS O O 1.056 4.705 0.777 1.00 . A A . 16 CYS O 1 1 6 3132 1 1 16 CYS SG S -3.399 6.386 0.354 1.00 . A A . 16 CYS SG 1 1 6 3133 1 1 17 TYR C C 3.640 5.488 -0.287 1.00 . A A . 17 TYR C 1 1 6 3134 1 1 17 TYR CA C 2.660 5.310 -1.442 1.00 . A A . 17 TYR CA 1 1 6 3135 1 1 17 TYR CB C 3.246 5.960 -2.704 1.00 . A A . 17 TYR CB 1 1 6 3136 1 1 17 TYR CD1 C 1.733 4.833 -4.389 1.00 . A A . 17 TYR CD1 1 1 6 3137 1 1 17 TYR CD2 C 4.078 4.805 -4.792 1.00 . A A . 17 TYR CD2 1 1 6 3138 1 1 17 TYR CE1 C 1.518 4.130 -5.556 1.00 . A A . 17 TYR CE1 1 1 6 3139 1 1 17 TYR CE2 C 3.871 4.099 -5.963 1.00 . A A . 17 TYR CE2 1 1 6 3140 1 1 17 TYR CG C 3.013 5.181 -3.983 1.00 . A A . 17 TYR CG 1 1 6 3141 1 1 17 TYR CZ C 2.588 3.765 -6.339 1.00 . A A . 17 TYR CZ 1 1 6 3142 1 1 17 TYR H H 1.011 6.592 -1.717 1.00 . A A . 17 TYR H 1 1 6 3143 1 1 17 TYR HA H 2.516 4.252 -1.610 1.00 . A A . 17 TYR HA 1 1 6 3144 1 1 17 TYR HB2 H 2.807 6.924 -2.841 1.00 . A A . 17 TYR HB2 1 1 6 3145 1 1 17 TYR HB3 H 4.318 6.087 -2.585 1.00 . A A . 17 TYR HB3 1 1 6 3146 1 1 17 TYR HD1 H 0.908 5.088 -3.773 1.00 . A A . 17 TYR HD1 1 1 6 3147 1 1 17 TYR HD2 H 5.085 5.070 -4.498 1.00 . A A . 17 TYR HD2 1 1 6 3148 1 1 17 TYR HE1 H 0.512 3.871 -5.852 1.00 . A A . 17 TYR HE1 1 1 6 3149 1 1 17 TYR HE2 H 4.712 3.813 -6.577 1.00 . A A . 17 TYR HE2 1 1 6 3150 1 1 17 TYR HH H 2.375 2.119 -7.310 1.00 . A A . 17 TYR HH 1 1 6 3151 1 1 17 TYR N N 1.357 5.897 -1.121 1.00 . A A . 17 TYR N 1 1 6 3152 1 1 17 TYR O O 4.388 4.569 0.046 1.00 . A A . 17 TYR O 1 1 6 3153 1 1 17 TYR OH O 2.374 3.060 -7.501 1.00 . A A . 17 TYR OH 1 1 6 3154 1 1 18 ALA C C 4.368 6.104 2.625 1.00 . A A . 18 ALA C 1 1 6 3155 1 1 18 ALA CA C 4.565 6.989 1.386 1.00 . A A . 18 ALA CA 1 1 6 3156 1 1 18 ALA CB C 4.502 8.472 1.734 1.00 . A A . 18 ALA CB 1 1 6 3157 1 1 18 ALA H H 2.984 7.356 0.026 1.00 . A A . 18 ALA H 1 1 6 3158 1 1 18 ALA HA H 5.560 6.797 0.996 1.00 . A A . 18 ALA HA 1 1 6 3159 1 1 18 ALA HB1 H 5.318 8.982 1.243 1.00 . A A . 18 ALA HB1 1 1 6 3160 1 1 18 ALA HB2 H 4.591 8.617 2.803 1.00 . A A . 18 ALA HB2 1 1 6 3161 1 1 18 ALA HB3 H 3.569 8.899 1.395 1.00 . A A . 18 ALA HB3 1 1 6 3162 1 1 18 ALA N N 3.616 6.663 0.330 1.00 . A A . 18 ALA N 1 1 6 3163 1 1 18 ALA O O 5.302 5.414 3.026 1.00 . A A . 18 ALA O 1 1 6 3164 1 1 19 PRO C C 3.090 3.756 4.116 1.00 . A A . 19 PRO C 1 1 6 3165 1 1 19 PRO CA C 2.908 5.241 4.424 1.00 . A A . 19 PRO CA 1 1 6 3166 1 1 19 PRO CB C 1.444 5.532 4.777 1.00 . A A . 19 PRO CB 1 1 6 3167 1 1 19 PRO CD C 1.981 6.903 2.910 1.00 . A A . 19 PRO CD 1 1 6 3168 1 1 19 PRO CG C 1.162 6.858 4.164 1.00 . A A . 19 PRO CG 1 1 6 3169 1 1 19 PRO HA H 3.541 5.513 5.256 1.00 . A A . 19 PRO HA 1 1 6 3170 1 1 19 PRO HB2 H 0.791 4.770 4.366 1.00 . A A . 19 PRO HB2 1 1 6 3171 1 1 19 PRO HB3 H 1.333 5.563 5.840 1.00 . A A . 19 PRO HB3 1 1 6 3172 1 1 19 PRO HD2 H 1.441 6.482 2.110 1.00 . A A . 19 PRO HD2 1 1 6 3173 1 1 19 PRO HD3 H 2.245 7.915 2.694 1.00 . A A . 19 PRO HD3 1 1 6 3174 1 1 19 PRO HG2 H 0.111 6.940 3.931 1.00 . A A . 19 PRO HG2 1 1 6 3175 1 1 19 PRO HG3 H 1.462 7.647 4.837 1.00 . A A . 19 PRO HG3 1 1 6 3176 1 1 19 PRO N N 3.166 6.093 3.255 1.00 . A A . 19 PRO N 1 1 6 3177 1 1 19 PRO O O 3.702 3.025 4.899 1.00 . A A . 19 PRO O 1 1 6 3178 1 1 20 CYS C C 4.117 1.477 2.446 1.00 . A A . 20 CYS C 1 1 6 3179 1 1 20 CYS CA C 2.658 1.915 2.581 1.00 . A A . 20 CYS CA 1 1 6 3180 1 1 20 CYS CB C 1.902 1.681 1.268 1.00 . A A . 20 CYS CB 1 1 6 3181 1 1 20 CYS H H 2.106 3.953 2.377 1.00 . A A . 20 CYS H 1 1 6 3182 1 1 20 CYS HA H 2.192 1.324 3.359 1.00 . A A . 20 CYS HA 1 1 6 3183 1 1 20 CYS HB2 H 0.872 1.978 1.398 1.00 . A A . 20 CYS HB2 1 1 6 3184 1 1 20 CYS HB3 H 2.347 2.290 0.493 1.00 . A A . 20 CYS HB3 1 1 6 3185 1 1 20 CYS N N 2.575 3.319 2.970 1.00 . A A . 20 CYS N 1 1 6 3186 1 1 20 CYS O O 4.519 0.447 2.997 1.00 . A A . 20 CYS O 1 1 6 3187 1 1 20 CYS SG S 1.912 -0.049 0.687 1.00 . A A . 20 CYS SG 1 1 6 3188 1 1 21 ARG C C 7.090 2.095 2.857 1.00 . A A . 21 ARG C 1 1 6 3189 1 1 21 ARG CA C 6.324 1.977 1.545 1.00 . A A . 21 ARG CA 1 1 6 3190 1 1 21 ARG CB C 6.926 2.916 0.497 1.00 . A A . 21 ARG CB 1 1 6 3191 1 1 21 ARG CD C 8.888 3.504 -0.971 1.00 . A A . 21 ARG CD 1 1 6 3192 1 1 21 ARG CG C 8.348 2.556 0.092 1.00 . A A . 21 ARG CG 1 1 6 3193 1 1 21 ARG CZ C 8.388 5.921 -0.837 1.00 . A A . 21 ARG CZ 1 1 6 3194 1 1 21 ARG H H 4.542 3.110 1.355 1.00 . A A . 21 ARG H 1 1 6 3195 1 1 21 ARG HA H 6.402 0.958 1.188 1.00 . A A . 21 ARG HA 1 1 6 3196 1 1 21 ARG HB2 H 6.306 2.897 -0.360 1.00 . A A . 21 ARG HB2 1 1 6 3197 1 1 21 ARG HB3 H 6.933 3.924 0.893 1.00 . A A . 21 ARG HB3 1 1 6 3198 1 1 21 ARG HD2 H 9.851 3.121 -1.286 1.00 . A A . 21 ARG HD2 1 1 6 3199 1 1 21 ARG HD3 H 8.233 3.503 -1.816 1.00 . A A . 21 ARG HD3 1 1 6 3200 1 1 21 ARG HE H 9.793 4.974 0.222 1.00 . A A . 21 ARG HE 1 1 6 3201 1 1 21 ARG HG2 H 8.987 2.610 0.960 1.00 . A A . 21 ARG HG2 1 1 6 3202 1 1 21 ARG HG3 H 8.356 1.549 -0.300 1.00 . A A . 21 ARG HG3 1 1 6 3203 1 1 21 ARG HH11 H 7.210 4.936 -2.167 1.00 . A A . 21 ARG HH11 1 1 6 3204 1 1 21 ARG HH12 H 6.911 6.616 -2.023 1.00 . A A . 21 ARG HH12 1 1 6 3205 1 1 21 ARG HH21 H 9.368 7.215 0.374 1.00 . A A . 21 ARG HH21 1 1 6 3206 1 1 21 ARG HH22 H 8.118 7.915 -0.601 1.00 . A A . 21 ARG HH22 1 1 6 3207 1 1 21 ARG N N 4.914 2.284 1.747 1.00 . A A . 21 ARG N 1 1 6 3208 1 1 21 ARG NE N 9.089 4.857 -0.453 1.00 . A A . 21 ARG NE 1 1 6 3209 1 1 21 ARG NH1 N 7.430 5.804 -1.748 1.00 . A A . 21 ARG NH1 1 1 6 3210 1 1 21 ARG NH2 N 8.645 7.112 -0.313 1.00 . A A . 21 ARG NH2 1 1 6 3211 1 1 21 ARG O O 7.973 1.293 3.146 1.00 . A A . 21 ARG O 1 1 6 3212 1 1 22 LYS C C 7.160 2.200 5.905 1.00 . A A . 22 LYS C 1 1 6 3213 1 1 22 LYS CA C 7.409 3.336 4.919 1.00 . A A . 22 LYS CA 1 1 6 3214 1 1 22 LYS CB C 6.950 4.666 5.519 1.00 . A A . 22 LYS CB 1 1 6 3215 1 1 22 LYS CD C 7.420 6.560 7.093 1.00 . A A . 22 LYS CD 1 1 6 3216 1 1 22 LYS CE C 8.425 7.167 8.058 1.00 . A A . 22 LYS CE 1 1 6 3217 1 1 22 LYS CG C 7.854 5.183 6.623 1.00 . A A . 22 LYS CG 1 1 6 3218 1 1 22 LYS H H 5.998 3.691 3.384 1.00 . A A . 22 LYS H 1 1 6 3219 1 1 22 LYS HA H 8.473 3.391 4.717 1.00 . A A . 22 LYS HA 1 1 6 3220 1 1 22 LYS HB2 H 6.937 5.405 4.732 1.00 . A A . 22 LYS HB2 1 1 6 3221 1 1 22 LYS HB3 H 5.948 4.559 5.915 1.00 . A A . 22 LYS HB3 1 1 6 3222 1 1 22 LYS HD2 H 7.325 7.217 6.238 1.00 . A A . 22 LYS HD2 1 1 6 3223 1 1 22 LYS HD3 H 6.465 6.474 7.590 1.00 . A A . 22 LYS HD3 1 1 6 3224 1 1 22 LYS HE2 H 8.524 6.517 8.916 1.00 . A A . 22 LYS HE2 1 1 6 3225 1 1 22 LYS HE3 H 9.381 7.253 7.560 1.00 . A A . 22 LYS HE3 1 1 6 3226 1 1 22 LYS HG2 H 7.814 4.499 7.458 1.00 . A A . 22 LYS HG2 1 1 6 3227 1 1 22 LYS HG3 H 8.868 5.239 6.246 1.00 . A A . 22 LYS HG3 1 1 6 3228 1 1 22 LYS HZ1 H 7.910 9.166 7.717 1.00 . A A . 22 LYS HZ1 1 1 6 3229 1 1 22 LYS HZ2 H 8.711 8.901 9.182 1.00 . A A . 22 LYS HZ2 1 1 6 3230 1 1 22 LYS HZ3 H 7.088 8.459 9.019 1.00 . A A . 22 LYS HZ3 1 1 6 3231 1 1 22 LYS N N 6.726 3.084 3.657 1.00 . A A . 22 LYS N 1 1 6 3232 1 1 22 LYS NZ N 8.003 8.516 8.525 1.00 . A A . 22 LYS NZ 1 1 6 3233 1 1 22 LYS O O 7.991 1.924 6.768 1.00 . A A . 22 LYS O 1 1 6 3234 1 1 23 GLN C C 6.342 -0.859 6.111 1.00 . A A . 23 GLN C 1 1 6 3235 1 1 23 GLN CA C 5.683 0.419 6.631 1.00 . A A . 23 GLN CA 1 1 6 3236 1 1 23 GLN CB C 4.160 0.248 6.721 1.00 . A A . 23 GLN CB 1 1 6 3237 1 1 23 GLN CD C 3.803 -2.110 7.648 1.00 . A A . 23 GLN CD 1 1 6 3238 1 1 23 GLN CG C 3.682 -0.613 7.892 1.00 . A A . 23 GLN CG 1 1 6 3239 1 1 23 GLN H H 5.376 1.801 5.068 1.00 . A A . 23 GLN H 1 1 6 3240 1 1 23 GLN HA H 6.068 0.623 7.625 1.00 . A A . 23 GLN HA 1 1 6 3241 1 1 23 GLN HB2 H 3.722 1.224 6.836 1.00 . A A . 23 GLN HB2 1 1 6 3242 1 1 23 GLN HB3 H 3.782 -0.180 5.803 1.00 . A A . 23 GLN HB3 1 1 6 3243 1 1 23 GLN HE21 H 5.591 -2.171 8.534 1.00 . A A . 23 GLN HE21 1 1 6 3244 1 1 23 GLN HE22 H 4.989 -3.671 7.926 1.00 . A A . 23 GLN HE22 1 1 6 3245 1 1 23 GLN HG2 H 4.254 -0.358 8.774 1.00 . A A . 23 GLN HG2 1 1 6 3246 1 1 23 GLN HG3 H 2.642 -0.384 8.074 1.00 . A A . 23 GLN HG3 1 1 6 3247 1 1 23 GLN N N 6.013 1.544 5.773 1.00 . A A . 23 GLN N 1 1 6 3248 1 1 23 GLN NE2 N 4.903 -2.707 8.079 1.00 . A A . 23 GLN NE2 1 1 6 3249 1 1 23 GLN O O 7.236 -1.408 6.757 1.00 . A A . 23 GLN O 1 1 6 3250 1 1 23 GLN OE1 O 2.894 -2.732 7.106 1.00 . A A . 23 GLN OE1 1 1 6 3251 1 1 24 THR C C 7.718 -2.488 3.703 1.00 . A A . 24 THR C 1 1 6 3252 1 1 24 THR CA C 6.368 -2.600 4.406 1.00 . A A . 24 THR CA 1 1 6 3253 1 1 24 THR CB C 5.343 -3.194 3.413 1.00 . A A . 24 THR CB 1 1 6 3254 1 1 24 THR CG2 C 4.037 -3.554 4.110 1.00 . A A . 24 THR CG2 1 1 6 3255 1 1 24 THR H H 5.220 -0.819 4.445 1.00 . A A . 24 THR H 1 1 6 3256 1 1 24 THR HA H 6.478 -3.290 5.236 1.00 . A A . 24 THR HA 1 1 6 3257 1 1 24 THR HB H 5.758 -4.089 3.011 1.00 . A A . 24 THR HB 1 1 6 3258 1 1 24 THR HG1 H 4.765 -2.734 1.579 1.00 . A A . 24 THR HG1 1 1 6 3259 1 1 24 THR HG21 H 3.608 -2.667 4.554 1.00 . A A . 24 THR HG21 1 1 6 3260 1 1 24 THR HG22 H 4.229 -4.286 4.881 1.00 . A A . 24 THR HG22 1 1 6 3261 1 1 24 THR HG23 H 3.346 -3.965 3.388 1.00 . A A . 24 THR HG23 1 1 6 3262 1 1 24 THR N N 5.917 -1.313 4.935 1.00 . A A . 24 THR N 1 1 6 3263 1 1 24 THR O O 8.596 -3.334 3.879 1.00 . A A . 24 THR O 1 1 6 3264 1 1 24 THR OG1 O 5.086 -2.263 2.353 1.00 . A A . 24 THR OG1 1 1 6 3265 1 1 25 GLY C C 8.583 -1.235 0.613 1.00 . A A . 25 GLY C 1 1 6 3266 1 1 25 GLY CA C 9.028 -1.313 2.058 1.00 . A A . 25 GLY CA 1 1 6 3267 1 1 25 GLY H H 7.165 -0.758 2.860 1.00 . A A . 25 GLY H 1 1 6 3268 1 1 25 GLY HA2 H 9.572 -0.413 2.303 1.00 . A A . 25 GLY HA2 1 1 6 3269 1 1 25 GLY HA3 H 9.692 -2.161 2.170 1.00 . A A . 25 GLY HA3 1 1 6 3270 1 1 25 GLY N N 7.888 -1.422 2.941 1.00 . A A . 25 GLY N 1 1 6 3271 1 1 25 GLY O O 9.323 -0.780 -0.257 1.00 . A A . 25 GLY O 1 1 6 3272 1 1 26 CYS C C 5.713 -0.535 -1.032 1.00 . A A . 26 CYS C 1 1 6 3273 1 1 26 CYS CA C 6.770 -1.633 -0.965 1.00 . A A . 26 CYS CA 1 1 6 3274 1 1 26 CYS CB C 6.146 -2.992 -1.315 1.00 . A A . 26 CYS CB 1 1 6 3275 1 1 26 CYS H H 6.799 -2.020 1.096 1.00 . A A . 26 CYS H 1 1 6 3276 1 1 26 CYS HA H 7.556 -1.439 -1.676 1.00 . A A . 26 CYS HA 1 1 6 3277 1 1 26 CYS HB2 H 5.376 -3.210 -0.604 1.00 . A A . 26 CYS HB2 1 1 6 3278 1 1 26 CYS HB3 H 5.702 -2.930 -2.300 1.00 . A A . 26 CYS HB3 1 1 6 3279 1 1 26 CYS N N 7.356 -1.672 0.366 1.00 . A A . 26 CYS N 1 1 6 3280 1 1 26 CYS O O 4.822 -0.483 -0.196 1.00 . A A . 26 CYS O 1 1 6 3281 1 1 26 CYS SG S 7.332 -4.378 -1.342 1.00 . A A . 26 CYS SG 1 1 6 3282 1 1 27 PRO C C 3.644 1.142 -2.978 1.00 . A A . 27 PRO C 1 1 6 3283 1 1 27 PRO CA C 4.882 1.493 -2.157 1.00 . A A . 27 PRO CA 1 1 6 3284 1 1 27 PRO CB C 5.735 2.518 -2.891 1.00 . A A . 27 PRO CB 1 1 6 3285 1 1 27 PRO CD C 6.837 0.383 -3.076 1.00 . A A . 27 PRO CD 1 1 6 3286 1 1 27 PRO CG C 6.618 1.704 -3.775 1.00 . A A . 27 PRO CG 1 1 6 3287 1 1 27 PRO HA H 4.577 1.893 -1.200 1.00 . A A . 27 PRO HA 1 1 6 3288 1 1 27 PRO HB2 H 5.117 3.174 -3.453 1.00 . A A . 27 PRO HB2 1 1 6 3289 1 1 27 PRO HB3 H 6.304 3.081 -2.193 1.00 . A A . 27 PRO HB3 1 1 6 3290 1 1 27 PRO HD2 H 6.694 -0.437 -3.764 1.00 . A A . 27 PRO HD2 1 1 6 3291 1 1 27 PRO HD3 H 7.829 0.354 -2.651 1.00 . A A . 27 PRO HD3 1 1 6 3292 1 1 27 PRO HG2 H 6.134 1.545 -4.727 1.00 . A A . 27 PRO HG2 1 1 6 3293 1 1 27 PRO HG3 H 7.561 2.212 -3.916 1.00 . A A . 27 PRO HG3 1 1 6 3294 1 1 27 PRO N N 5.808 0.370 -2.018 1.00 . A A . 27 PRO N 1 1 6 3295 1 1 27 PRO O O 2.882 2.019 -3.380 1.00 . A A . 27 PRO O 1 1 6 3296 1 1 28 ASN C C 1.038 -0.544 -3.264 1.00 . A A . 28 ASN C 1 1 6 3297 1 1 28 ASN CA C 2.346 -0.616 -4.040 1.00 . A A . 28 ASN CA 1 1 6 3298 1 1 28 ASN CB C 2.608 -2.053 -4.495 1.00 . A A . 28 ASN CB 1 1 6 3299 1 1 28 ASN CG C 3.866 -2.182 -5.333 1.00 . A A . 28 ASN CG 1 1 6 3300 1 1 28 ASN H H 4.078 -0.808 -2.879 1.00 . A A . 28 ASN H 1 1 6 3301 1 1 28 ASN HA H 2.273 0.018 -4.919 1.00 . A A . 28 ASN HA 1 1 6 3302 1 1 28 ASN HB2 H 2.697 -2.694 -3.631 1.00 . A A . 28 ASN HB2 1 1 6 3303 1 1 28 ASN HB3 H 1.792 -2.388 -5.102 1.00 . A A . 28 ASN HB3 1 1 6 3304 1 1 28 ASN HD21 H 4.209 -4.004 -4.590 1.00 . A A . 28 ASN HD21 1 1 6 3305 1 1 28 ASN HD22 H 5.358 -3.418 -5.738 1.00 . A A . 28 ASN HD22 1 1 6 3306 1 1 28 ASN N N 3.452 -0.143 -3.219 1.00 . A A . 28 ASN N 1 1 6 3307 1 1 28 ASN ND2 N 4.542 -3.313 -5.206 1.00 . A A . 28 ASN ND2 1 1 6 3308 1 1 28 ASN O O 0.706 -1.459 -2.508 1.00 . A A . 28 ASN O 1 1 6 3309 1 1 28 ASN OD1 O 4.235 -1.271 -6.074 1.00 . A A . 28 ASN OD1 1 1 6 3310 1 1 29 ALA C C -2.107 1.053 -3.661 1.00 . A A . 29 ALA C 1 1 6 3311 1 1 29 ALA CA C -0.937 0.766 -2.722 1.00 . A A . 29 ALA CA 1 1 6 3312 1 1 29 ALA CB C -0.767 1.909 -1.730 1.00 . A A . 29 ALA CB 1 1 6 3313 1 1 29 ALA H H 0.618 1.249 -4.065 1.00 . A A . 29 ALA H 1 1 6 3314 1 1 29 ALA HA H -1.164 -0.120 -2.157 1.00 . A A . 29 ALA HA 1 1 6 3315 1 1 29 ALA HB1 H -1.668 2.019 -1.143 1.00 . A A . 29 ALA HB1 1 1 6 3316 1 1 29 ALA HB2 H -0.570 2.828 -2.264 1.00 . A A . 29 ALA HB2 1 1 6 3317 1 1 29 ALA HB3 H 0.063 1.692 -1.074 1.00 . A A . 29 ALA HB3 1 1 6 3318 1 1 29 ALA N N 0.303 0.546 -3.451 1.00 . A A . 29 ALA N 1 1 6 3319 1 1 29 ALA O O -1.932 1.621 -4.743 1.00 . A A . 29 ALA O 1 1 6 3320 1 1 30 LYS C C -5.637 1.209 -2.953 1.00 . A A . 30 LYS C 1 1 6 3321 1 1 30 LYS CA C -4.534 0.887 -3.959 1.00 . A A . 30 LYS CA 1 1 6 3322 1 1 30 LYS CB C -4.922 -0.345 -4.787 1.00 . A A . 30 LYS CB 1 1 6 3323 1 1 30 LYS CD C -5.860 0.846 -6.797 1.00 . A A . 30 LYS CD 1 1 6 3324 1 1 30 LYS CE C -7.042 0.975 -7.750 1.00 . A A . 30 LYS CE 1 1 6 3325 1 1 30 LYS CG C -6.141 -0.144 -5.677 1.00 . A A . 30 LYS CG 1 1 6 3326 1 1 30 LYS H H -3.347 0.178 -2.363 1.00 . A A . 30 LYS H 1 1 6 3327 1 1 30 LYS HA H -4.394 1.736 -4.619 1.00 . A A . 30 LYS HA 1 1 6 3328 1 1 30 LYS HB2 H -4.084 -0.616 -5.412 1.00 . A A . 30 LYS HB2 1 1 6 3329 1 1 30 LYS HB3 H -5.128 -1.168 -4.116 1.00 . A A . 30 LYS HB3 1 1 6 3330 1 1 30 LYS HD2 H -5.658 1.815 -6.367 1.00 . A A . 30 LYS HD2 1 1 6 3331 1 1 30 LYS HD3 H -4.997 0.512 -7.358 1.00 . A A . 30 LYS HD3 1 1 6 3332 1 1 30 LYS HE2 H -7.897 1.336 -7.198 1.00 . A A . 30 LYS HE2 1 1 6 3333 1 1 30 LYS HE3 H -6.787 1.688 -8.520 1.00 . A A . 30 LYS HE3 1 1 6 3334 1 1 30 LYS HG2 H -6.404 -1.098 -6.109 1.00 . A A . 30 LYS HG2 1 1 6 3335 1 1 30 LYS HG3 H -6.966 0.219 -5.082 1.00 . A A . 30 LYS HG3 1 1 6 3336 1 1 30 LYS HZ1 H -8.062 -0.157 -9.170 1.00 . A A . 30 LYS HZ1 1 1 6 3337 1 1 30 LYS HZ2 H -7.842 -0.953 -7.699 1.00 . A A . 30 LYS HZ2 1 1 6 3338 1 1 30 LYS HZ3 H -6.543 -0.786 -8.773 1.00 . A A . 30 LYS HZ3 1 1 6 3339 1 1 30 LYS N N -3.292 0.639 -3.233 1.00 . A A . 30 LYS N 1 1 6 3340 1 1 30 LYS NZ N -7.394 -0.320 -8.390 1.00 . A A . 30 LYS NZ 1 1 6 3341 1 1 30 LYS O O -5.820 0.478 -1.979 1.00 . A A . 30 LYS O 1 1 6 3342 1 1 31 CYS C C -8.686 1.971 -2.438 1.00 . A A . 31 CYS C 1 1 6 3343 1 1 31 CYS CA C -7.377 2.715 -2.209 1.00 . A A . 31 CYS CA 1 1 6 3344 1 1 31 CYS CB C -7.632 4.221 -2.275 1.00 . A A . 31 CYS CB 1 1 6 3345 1 1 31 CYS H H -6.173 2.863 -3.955 1.00 . A A . 31 CYS H 1 1 6 3346 1 1 31 CYS HA H -7.027 2.481 -1.229 1.00 . A A . 31 CYS HA 1 1 6 3347 1 1 31 CYS HB2 H -6.690 4.739 -2.265 1.00 . A A . 31 CYS HB2 1 1 6 3348 1 1 31 CYS HB3 H -8.145 4.457 -3.197 1.00 . A A . 31 CYS HB3 1 1 6 3349 1 1 31 CYS N N -6.358 2.299 -3.167 1.00 . A A . 31 CYS N 1 1 6 3350 1 1 31 CYS O O -9.275 2.045 -3.515 1.00 . A A . 31 CYS O 1 1 6 3351 1 1 31 CYS SG S -8.638 4.842 -0.884 1.00 . A A . 31 CYS SG 1 1 6 3352 1 1 32 ILE C C -11.161 0.839 -0.146 1.00 . A A . 32 ILE C 1 1 6 3353 1 1 32 ILE CA C -10.411 0.571 -1.446 1.00 . A A . 32 ILE CA 1 1 6 3354 1 1 32 ILE CB C -10.270 -0.957 -1.630 1.00 . A A . 32 ILE CB 1 1 6 3355 1 1 32 ILE CD1 C -9.592 -3.056 -0.372 1.00 . A A . 32 ILE CD1 1 1 6 3356 1 1 32 ILE CG1 C -9.433 -1.561 -0.501 1.00 . A A . 32 ILE CG1 1 1 6 3357 1 1 32 ILE CG2 C -9.654 -1.278 -2.985 1.00 . A A . 32 ILE CG2 1 1 6 3358 1 1 32 ILE H H -8.602 1.219 -0.585 1.00 . A A . 32 ILE H 1 1 6 3359 1 1 32 ILE HA H -11.002 0.960 -2.272 1.00 . A A . 32 ILE HA 1 1 6 3360 1 1 32 ILE HB H -11.263 -1.392 -1.613 1.00 . A A . 32 ILE HB 1 1 6 3361 1 1 32 ILE HD11 H -9.047 -3.401 0.494 1.00 . A A . 32 ILE HD11 1 1 6 3362 1 1 32 ILE HD12 H -9.204 -3.537 -1.257 1.00 . A A . 32 ILE HD12 1 1 6 3363 1 1 32 ILE HD13 H -10.638 -3.302 -0.258 1.00 . A A . 32 ILE HD13 1 1 6 3364 1 1 32 ILE HG12 H -8.389 -1.356 -0.672 1.00 . A A . 32 ILE HG12 1 1 6 3365 1 1 32 ILE HG13 H -9.711 -1.146 0.449 1.00 . A A . 32 ILE HG13 1 1 6 3366 1 1 32 ILE HG21 H -9.587 -2.350 -3.108 1.00 . A A . 32 ILE HG21 1 1 6 3367 1 1 32 ILE HG22 H -8.665 -0.847 -3.047 1.00 . A A . 32 ILE HG22 1 1 6 3368 1 1 32 ILE HG23 H -10.273 -0.867 -3.770 1.00 . A A . 32 ILE HG23 1 1 6 3369 1 1 32 ILE N N -9.126 1.249 -1.417 1.00 . A A . 32 ILE N 1 1 6 3370 1 1 32 ILE O O -10.564 0.828 0.932 1.00 . A A . 32 ILE O 1 1 6 3371 1 1 33 ASN C C -12.743 2.550 1.716 1.00 . A A . 33 ASN C 1 1 6 3372 1 1 33 ASN CA C -13.302 1.377 0.909 1.00 . A A . 33 ASN CA 1 1 6 3373 1 1 33 ASN CB C -13.430 0.140 1.811 1.00 . A A . 33 ASN CB 1 1 6 3374 1 1 33 ASN CG C -13.872 -1.097 1.054 1.00 . A A . 33 ASN CG 1 1 6 3375 1 1 33 ASN H H -12.877 1.099 -1.143 1.00 . A A . 33 ASN H 1 1 6 3376 1 1 33 ASN HA H -14.282 1.646 0.544 1.00 . A A . 33 ASN HA 1 1 6 3377 1 1 33 ASN HB2 H -12.472 -0.067 2.270 1.00 . A A . 33 ASN HB2 1 1 6 3378 1 1 33 ASN HB3 H -14.157 0.342 2.585 1.00 . A A . 33 ASN HB3 1 1 6 3379 1 1 33 ASN HD21 H -12.947 -2.280 2.371 1.00 . A A . 33 ASN HD21 1 1 6 3380 1 1 33 ASN HD22 H -13.767 -3.073 1.073 1.00 . A A . 33 ASN HD22 1 1 6 3381 1 1 33 ASN N N -12.456 1.093 -0.254 1.00 . A A . 33 ASN N 1 1 6 3382 1 1 33 ASN ND2 N -13.490 -2.263 1.550 1.00 . A A . 33 ASN ND2 1 1 6 3383 1 1 33 ASN O O -12.745 2.527 2.947 1.00 . A A . 33 ASN O 1 1 6 3384 1 1 33 ASN OD1 O -14.556 -1.010 0.032 1.00 . A A . 33 ASN OD1 1 1 6 3385 1 1 34 LYS C C -10.388 4.396 2.409 1.00 . A A . 34 LYS C 1 1 6 3386 1 1 34 LYS CA C -11.648 4.751 1.616 1.00 . A A . 34 LYS CA 1 1 6 3387 1 1 34 LYS CB C -12.642 5.479 2.531 1.00 . A A . 34 LYS CB 1 1 6 3388 1 1 34 LYS CD C -14.442 5.907 0.803 1.00 . A A . 34 LYS CD 1 1 6 3389 1 1 34 LYS CE C -15.386 6.951 0.227 1.00 . A A . 34 LYS CE 1 1 6 3390 1 1 34 LYS CG C -13.506 6.519 1.834 1.00 . A A . 34 LYS CG 1 1 6 3391 1 1 34 LYS H H -12.277 3.526 0.018 1.00 . A A . 34 LYS H 1 1 6 3392 1 1 34 LYS HA H -11.360 5.414 0.823 1.00 . A A . 34 LYS HA 1 1 6 3393 1 1 34 LYS HB2 H -13.302 4.771 2.999 1.00 . A A . 34 LYS HB2 1 1 6 3394 1 1 34 LYS HB3 H -12.106 5.998 3.314 1.00 . A A . 34 LYS HB3 1 1 6 3395 1 1 34 LYS HD2 H -13.854 5.486 0.001 1.00 . A A . 34 LYS HD2 1 1 6 3396 1 1 34 LYS HD3 H -15.028 5.128 1.272 1.00 . A A . 34 LYS HD3 1 1 6 3397 1 1 34 LYS HE2 H -16.019 6.476 -0.507 1.00 . A A . 34 LYS HE2 1 1 6 3398 1 1 34 LYS HE3 H -16.000 7.345 1.025 1.00 . A A . 34 LYS HE3 1 1 6 3399 1 1 34 LYS HG2 H -14.095 7.030 2.583 1.00 . A A . 34 LYS HG2 1 1 6 3400 1 1 34 LYS HG3 H -12.859 7.231 1.341 1.00 . A A . 34 LYS HG3 1 1 6 3401 1 1 34 LYS HZ1 H -14.179 8.657 0.292 1.00 . A A . 34 LYS HZ1 1 1 6 3402 1 1 34 LYS HZ2 H -15.327 8.673 -0.944 1.00 . A A . 34 LYS HZ2 1 1 6 3403 1 1 34 LYS HZ3 H -13.946 7.710 -1.094 1.00 . A A . 34 LYS HZ3 1 1 6 3404 1 1 34 LYS N N -12.255 3.566 1.000 1.00 . A A . 34 LYS N 1 1 6 3405 1 1 34 LYS NZ N -14.657 8.073 -0.423 1.00 . A A . 34 LYS NZ 1 1 6 3406 1 1 34 LYS O O -9.984 5.129 3.310 1.00 . A A . 34 LYS O 1 1 6 3407 1 1 35 SER C C -7.556 2.279 1.742 1.00 . A A . 35 SER C 1 1 6 3408 1 1 35 SER CA C -8.554 2.849 2.746 1.00 . A A . 35 SER CA 1 1 6 3409 1 1 35 SER CB C -8.893 1.808 3.817 1.00 . A A . 35 SER CB 1 1 6 3410 1 1 35 SER H H -10.102 2.733 1.334 1.00 . A A . 35 SER H 1 1 6 3411 1 1 35 SER HA H -8.101 3.706 3.235 1.00 . A A . 35 SER HA 1 1 6 3412 1 1 35 SER HB2 H -9.643 2.214 4.480 1.00 . A A . 35 SER HB2 1 1 6 3413 1 1 35 SER HB3 H -9.280 0.915 3.345 1.00 . A A . 35 SER HB3 1 1 6 3414 1 1 35 SER HG H -7.948 0.682 5.114 1.00 . A A . 35 SER HG 1 1 6 3415 1 1 35 SER N N -9.764 3.281 2.065 1.00 . A A . 35 SER N 1 1 6 3416 1 1 35 SER O O -7.844 1.313 1.036 1.00 . A A . 35 SER O 1 1 6 3417 1 1 35 SER OG O -7.753 1.460 4.587 1.00 . A A . 35 SER OG 1 1 6 3418 1 1 36 CYS C C -4.719 1.144 1.298 1.00 . A A . 36 CYS C 1 1 6 3419 1 1 36 CYS CA C -5.340 2.429 0.770 1.00 . A A . 36 CYS CA 1 1 6 3420 1 1 36 CYS CB C -4.255 3.494 0.614 1.00 . A A . 36 CYS CB 1 1 6 3421 1 1 36 CYS H H -6.216 3.680 2.237 1.00 . A A . 36 CYS H 1 1 6 3422 1 1 36 CYS HA H -5.761 2.234 -0.190 1.00 . A A . 36 CYS HA 1 1 6 3423 1 1 36 CYS HB2 H -3.858 3.739 1.589 1.00 . A A . 36 CYS HB2 1 1 6 3424 1 1 36 CYS HB3 H -3.457 3.106 -0.007 1.00 . A A . 36 CYS HB3 1 1 6 3425 1 1 36 CYS N N -6.391 2.898 1.661 1.00 . A A . 36 CYS N 1 1 6 3426 1 1 36 CYS O O -4.046 1.150 2.330 1.00 . A A . 36 CYS O 1 1 6 3427 1 1 36 CYS SG S -4.835 5.041 -0.148 1.00 . A A . 36 CYS SG 1 1 6 3428 1 1 37 LYS C C -3.094 -1.435 0.118 1.00 . A A . 37 LYS C 1 1 6 3429 1 1 37 LYS CA C -4.345 -1.227 0.956 1.00 . A A . 37 LYS CA 1 1 6 3430 1 1 37 LYS CB C -5.308 -2.392 0.749 1.00 . A A . 37 LYS CB 1 1 6 3431 1 1 37 LYS CD C -6.228 -4.044 -0.865 1.00 . A A . 37 LYS CD 1 1 6 3432 1 1 37 LYS CE C -6.589 -4.312 -2.305 1.00 . A A . 37 LYS CE 1 1 6 3433 1 1 37 LYS CG C -5.633 -2.663 -0.700 1.00 . A A . 37 LYS CG 1 1 6 3434 1 1 37 LYS H H -5.513 0.090 -0.210 1.00 . A A . 37 LYS H 1 1 6 3435 1 1 37 LYS HA H -4.057 -1.204 2.002 1.00 . A A . 37 LYS HA 1 1 6 3436 1 1 37 LYS HB2 H -4.864 -3.279 1.182 1.00 . A A . 37 LYS HB2 1 1 6 3437 1 1 37 LYS HB3 H -6.230 -2.175 1.269 1.00 . A A . 37 LYS HB3 1 1 6 3438 1 1 37 LYS HD2 H -5.502 -4.781 -0.549 1.00 . A A . 37 LYS HD2 1 1 6 3439 1 1 37 LYS HD3 H -7.115 -4.130 -0.258 1.00 . A A . 37 LYS HD3 1 1 6 3440 1 1 37 LYS HE2 H -7.351 -3.611 -2.614 1.00 . A A . 37 LYS HE2 1 1 6 3441 1 1 37 LYS HE3 H -5.709 -4.185 -2.922 1.00 . A A . 37 LYS HE3 1 1 6 3442 1 1 37 LYS HG2 H -6.345 -1.928 -1.039 1.00 . A A . 37 LYS HG2 1 1 6 3443 1 1 37 LYS HG3 H -4.740 -2.603 -1.305 1.00 . A A . 37 LYS HG3 1 1 6 3444 1 1 37 LYS HZ1 H -7.346 -5.851 -3.484 1.00 . A A . 37 LYS HZ1 1 1 6 3445 1 1 37 LYS HZ2 H -7.959 -5.840 -1.909 1.00 . A A . 37 LYS HZ2 1 1 6 3446 1 1 37 LYS HZ3 H -6.383 -6.389 -2.202 1.00 . A A . 37 LYS HZ3 1 1 6 3447 1 1 37 LYS N N -4.958 0.043 0.603 1.00 . A A . 37 LYS N 1 1 6 3448 1 1 37 LYS NZ N -7.104 -5.692 -2.485 1.00 . A A . 37 LYS NZ 1 1 6 3449 1 1 37 LYS O O -2.910 -0.773 -0.904 1.00 . A A . 37 LYS O 1 1 6 3450 1 1 38 CYS C C -1.056 -3.986 -0.821 1.00 . A A . 38 CYS C 1 1 6 3451 1 1 38 CYS CA C -1.002 -2.615 -0.159 1.00 . A A . 38 CYS CA 1 1 6 3452 1 1 38 CYS CB C 0.178 -2.529 0.811 1.00 . A A . 38 CYS CB 1 1 6 3453 1 1 38 CYS H H -2.438 -2.848 1.373 1.00 . A A . 38 CYS H 1 1 6 3454 1 1 38 CYS HA H -0.867 -1.871 -0.923 1.00 . A A . 38 CYS HA 1 1 6 3455 1 1 38 CYS HB2 H 0.050 -3.274 1.585 1.00 . A A . 38 CYS HB2 1 1 6 3456 1 1 38 CYS HB3 H 1.095 -2.731 0.277 1.00 . A A . 38 CYS HB3 1 1 6 3457 1 1 38 CYS N N -2.242 -2.344 0.548 1.00 . A A . 38 CYS N 1 1 6 3458 1 1 38 CYS O O -1.745 -4.886 -0.344 1.00 . A A . 38 CYS O 1 1 6 3459 1 1 38 CYS SG S 0.338 -0.911 1.635 1.00 . A A . 38 CYS SG 1 1 6 3460 1 1 39 TYR C C 0.565 -6.453 -2.046 1.00 . A A . 39 TYR C 1 1 6 3461 1 1 39 TYR CA C -0.321 -5.387 -2.688 1.00 . A A . 39 TYR CA 1 1 6 3462 1 1 39 TYR CB C 0.153 -5.137 -4.122 1.00 . A A . 39 TYR CB 1 1 6 3463 1 1 39 TYR CD1 C -0.710 -2.915 -4.956 1.00 . A A . 39 TYR CD1 1 1 6 3464 1 1 39 TYR CD2 C -1.745 -4.898 -5.774 1.00 . A A . 39 TYR CD2 1 1 6 3465 1 1 39 TYR CE1 C -1.556 -2.147 -5.730 1.00 . A A . 39 TYR CE1 1 1 6 3466 1 1 39 TYR CE2 C -2.594 -4.135 -6.556 1.00 . A A . 39 TYR CE2 1 1 6 3467 1 1 39 TYR CG C -0.789 -4.301 -4.961 1.00 . A A . 39 TYR CG 1 1 6 3468 1 1 39 TYR CZ C -2.495 -2.760 -6.529 1.00 . A A . 39 TYR CZ 1 1 6 3469 1 1 39 TYR H H 0.227 -3.384 -2.241 1.00 . A A . 39 TYR H 1 1 6 3470 1 1 39 TYR HA H -1.337 -5.764 -2.722 1.00 . A A . 39 TYR HA 1 1 6 3471 1 1 39 TYR HB2 H 1.108 -4.631 -4.087 1.00 . A A . 39 TYR HB2 1 1 6 3472 1 1 39 TYR HB3 H 0.287 -6.088 -4.628 1.00 . A A . 39 TYR HB3 1 1 6 3473 1 1 39 TYR HD1 H -0.004 -2.451 -4.341 1.00 . A A . 39 TYR HD1 1 1 6 3474 1 1 39 TYR HD2 H -1.824 -5.976 -5.794 1.00 . A A . 39 TYR HD2 1 1 6 3475 1 1 39 TYR HE1 H -1.478 -1.070 -5.708 1.00 . A A . 39 TYR HE1 1 1 6 3476 1 1 39 TYR HE2 H -3.331 -4.617 -7.181 1.00 . A A . 39 TYR HE2 1 1 6 3477 1 1 39 TYR HH H -2.943 -1.875 -8.178 1.00 . A A . 39 TYR HH 1 1 6 3478 1 1 39 TYR N N -0.315 -4.143 -1.916 1.00 . A A . 39 TYR N 1 1 6 3479 1 1 39 TYR O O 1.084 -7.334 -2.735 1.00 . A A . 39 TYR O 1 1 6 3480 1 1 39 TYR OH O -3.334 -1.995 -7.309 1.00 . A A . 39 TYR OH 1 1 6 3481 1 1 40 GLY C C 3.021 -7.136 -0.174 1.00 . A A . 40 GLY C 1 1 6 3482 1 1 40 GLY CA C 1.529 -7.338 -0.011 1.00 . A A . 40 GLY CA 1 1 6 3483 1 1 40 GLY H H 0.316 -5.663 -0.218 1.00 . A A . 40 GLY H 1 1 6 3484 1 1 40 GLY HA2 H 1.271 -7.270 1.036 1.00 . A A . 40 GLY HA2 1 1 6 3485 1 1 40 GLY HA3 H 1.274 -8.333 -0.357 1.00 . A A . 40 GLY HA3 1 1 6 3486 1 1 40 GLY N N 0.735 -6.364 -0.733 1.00 . A A . 40 GLY N 1 1 6 3487 1 1 40 GLY O O 3.541 -7.067 -1.292 1.00 . A A . 40 GLY O 1 1 6 3488 1 1 41 CYS C C 5.717 -7.548 2.202 1.00 . A A . 41 CYS C 1 1 6 3489 1 1 41 CYS CA C 5.151 -6.889 0.950 1.00 . A A . 41 CYS CA 1 1 6 3490 1 1 41 CYS CB C 5.537 -5.407 0.882 1.00 . A A . 41 CYS CB 1 1 6 3491 1 1 41 CYS H H 3.237 -7.092 1.812 1.00 . A A . 41 CYS H 1 1 6 3492 1 1 41 CYS HA H 5.556 -7.403 0.083 1.00 . A A . 41 CYS HA 1 1 6 3493 1 1 41 CYS HB2 H 4.959 -4.955 0.100 1.00 . A A . 41 CYS HB2 1 1 6 3494 1 1 41 CYS HB3 H 5.276 -4.953 1.795 1.00 . A A . 41 CYS HB3 1 1 6 3495 1 1 41 CYS N N 3.710 -7.037 0.946 1.00 . A A . 41 CYS N 1 1 6 3496 1 1 41 CYS O O 5.454 -7.041 3.314 1.00 . A A . 41 CYS O 1 1 6 3497 1 1 41 CYS OXT O 6.383 -8.596 2.072 1.00 . A A . 41 CYS OXT 1 1 6 3498 1 1 41 CYS SG S 7.304 -5.101 0.556 1.00 . A A . 41 CYS SG 1 1 7 3499 1 1 1 TRP C C 3.809 1.402 11.704 1.00 . A A . 1 TRP C 1 1 7 3500 1 1 1 TRP CA C 3.324 0.076 12.286 1.00 . A A . 1 TRP CA 1 1 7 3501 1 1 1 TRP CB C 3.462 -1.039 11.241 1.00 . A A . 1 TRP CB 1 1 7 3502 1 1 1 TRP CD1 C 5.725 -0.638 10.097 1.00 . A A . 1 TRP CD1 1 1 7 3503 1 1 1 TRP CD2 C 5.610 -2.546 11.263 1.00 . A A . 1 TRP CD2 1 1 7 3504 1 1 1 TRP CE2 C 6.891 -2.445 10.688 1.00 . A A . 1 TRP CE2 1 1 7 3505 1 1 1 TRP CE3 C 5.306 -3.669 12.039 1.00 . A A . 1 TRP CE3 1 1 7 3506 1 1 1 TRP CG C 4.880 -1.372 10.879 1.00 . A A . 1 TRP CG 1 1 7 3507 1 1 1 TRP CH2 C 7.540 -4.510 11.627 1.00 . A A . 1 TRP CH2 1 1 7 3508 1 1 1 TRP CZ2 C 7.864 -3.423 10.864 1.00 . A A . 1 TRP CZ2 1 1 7 3509 1 1 1 TRP CZ3 C 6.274 -4.638 12.213 1.00 . A A . 1 TRP CZ3 1 1 7 3510 1 1 1 TRP H1 H 1.836 0.992 13.376 1.00 . A A . 1 TRP H1 1 1 7 3511 1 1 1 TRP H2 H 1.658 -0.700 13.200 1.00 . A A . 1 TRP H2 1 1 7 3512 1 1 1 TRP H3 H 1.309 0.337 11.880 1.00 . A A . 1 TRP H3 1 1 7 3513 1 1 1 TRP HA H 3.925 -0.167 13.151 1.00 . A A . 1 TRP HA 1 1 7 3514 1 1 1 TRP HB2 H 2.998 -1.935 11.628 1.00 . A A . 1 TRP HB2 1 1 7 3515 1 1 1 TRP HB3 H 2.947 -0.746 10.335 1.00 . A A . 1 TRP HB3 1 1 7 3516 1 1 1 TRP HD1 H 5.467 0.309 9.646 1.00 . A A . 1 TRP HD1 1 1 7 3517 1 1 1 TRP HE1 H 7.709 -0.941 9.480 1.00 . A A . 1 TRP HE1 1 1 7 3518 1 1 1 TRP HE3 H 4.336 -3.785 12.499 1.00 . A A . 1 TRP HE3 1 1 7 3519 1 1 1 TRP HH2 H 8.266 -5.293 11.789 1.00 . A A . 1 TRP HH2 1 1 7 3520 1 1 1 TRP HZ2 H 8.845 -3.340 10.420 1.00 . A A . 1 TRP HZ2 1 1 7 3521 1 1 1 TRP HZ3 H 6.058 -5.513 12.808 1.00 . A A . 1 TRP HZ3 1 1 7 3522 1 1 1 TRP N N 1.912 0.188 12.717 1.00 . A A . 1 TRP N 1 1 7 3523 1 1 1 TRP NE1 N 6.937 -1.273 9.985 1.00 . A A . 1 TRP NE1 1 1 7 3524 1 1 1 TRP O O 4.843 1.927 12.114 1.00 . A A . 1 TRP O 1 1 7 3525 1 1 2 CYS C C 2.940 4.390 10.916 1.00 . A A . 2 CYS C 1 1 7 3526 1 1 2 CYS CA C 3.430 3.191 10.105 1.00 . A A . 2 CYS CA 1 1 7 3527 1 1 2 CYS CB C 2.871 3.237 8.680 1.00 . A A . 2 CYS CB 1 1 7 3528 1 1 2 CYS H H 2.249 1.469 10.472 1.00 . A A . 2 CYS H 1 1 7 3529 1 1 2 CYS HA H 4.513 3.228 10.038 1.00 . A A . 2 CYS HA 1 1 7 3530 1 1 2 CYS HB2 H 2.980 4.237 8.284 1.00 . A A . 2 CYS HB2 1 1 7 3531 1 1 2 CYS HB3 H 3.442 2.566 8.067 1.00 . A A . 2 CYS HB3 1 1 7 3532 1 1 2 CYS N N 3.059 1.939 10.749 1.00 . A A . 2 CYS N 1 1 7 3533 1 1 2 CYS O O 1.735 4.611 11.061 1.00 . A A . 2 CYS O 1 1 7 3534 1 1 2 CYS SG S 1.118 2.751 8.545 1.00 . A A . 2 CYS SG 1 1 7 3535 1 1 3 SER C C 3.108 7.514 11.446 1.00 . A A . 3 SER C 1 1 7 3536 1 1 3 SER CA C 3.568 6.316 12.281 1.00 . A A . 3 SER CA 1 1 7 3537 1 1 3 SER CB C 4.796 6.694 13.110 1.00 . A A . 3 SER CB 1 1 7 3538 1 1 3 SER H H 4.830 4.940 11.282 1.00 . A A . 3 SER H 1 1 7 3539 1 1 3 SER HA H 2.769 6.039 12.958 1.00 . A A . 3 SER HA 1 1 7 3540 1 1 3 SER HB2 H 5.574 7.070 12.458 1.00 . A A . 3 SER HB2 1 1 7 3541 1 1 3 SER HB3 H 4.526 7.457 13.826 1.00 . A A . 3 SER HB3 1 1 7 3542 1 1 3 SER HG H 4.782 5.423 14.604 1.00 . A A . 3 SER HG 1 1 7 3543 1 1 3 SER N N 3.882 5.165 11.440 1.00 . A A . 3 SER N 1 1 7 3544 1 1 3 SER O O 3.541 8.645 11.664 1.00 . A A . 3 SER O 1 1 7 3545 1 1 3 SER OG O 5.300 5.568 13.808 1.00 . A A . 3 SER OG 1 1 7 3546 1 1 4 THR C C 0.265 7.955 9.218 1.00 . A A . 4 THR C 1 1 7 3547 1 1 4 THR CA C 1.695 8.301 9.632 1.00 . A A . 4 THR CA 1 1 7 3548 1 1 4 THR CB C 2.563 8.487 8.365 1.00 . A A . 4 THR CB 1 1 7 3549 1 1 4 THR CG2 C 2.195 9.769 7.629 1.00 . A A . 4 THR CG2 1 1 7 3550 1 1 4 THR H H 1.944 6.349 10.355 1.00 . A A . 4 THR H 1 1 7 3551 1 1 4 THR HA H 1.671 9.231 10.191 1.00 . A A . 4 THR HA 1 1 7 3552 1 1 4 THR HB H 2.413 7.652 7.690 1.00 . A A . 4 THR HB 1 1 7 3553 1 1 4 THR HG1 H 4.274 7.635 8.864 1.00 . A A . 4 THR HG1 1 1 7 3554 1 1 4 THR HG21 H 2.849 9.894 6.779 1.00 . A A . 4 THR HG21 1 1 7 3555 1 1 4 THR HG22 H 2.306 10.614 8.293 1.00 . A A . 4 THR HG22 1 1 7 3556 1 1 4 THR HG23 H 1.172 9.711 7.288 1.00 . A A . 4 THR HG23 1 1 7 3557 1 1 4 THR N N 2.236 7.255 10.486 1.00 . A A . 4 THR N 1 1 7 3558 1 1 4 THR O O -0.528 8.830 8.867 1.00 . A A . 4 THR O 1 1 7 3559 1 1 4 THR OG1 O 3.949 8.529 8.729 1.00 . A A . 4 THR OG1 1 1 7 3560 1 1 5 CYS C C -2.443 6.385 9.868 1.00 . A A . 5 CYS C 1 1 7 3561 1 1 5 CYS CA C -1.347 6.172 8.824 1.00 . A A . 5 CYS CA 1 1 7 3562 1 1 5 CYS CB C -1.226 4.685 8.489 1.00 . A A . 5 CYS CB 1 1 7 3563 1 1 5 CYS H H 0.586 6.021 9.616 1.00 . A A . 5 CYS H 1 1 7 3564 1 1 5 CYS HA H -1.603 6.697 7.938 1.00 . A A . 5 CYS HA 1 1 7 3565 1 1 5 CYS HB2 H -1.191 4.111 9.405 1.00 . A A . 5 CYS HB2 1 1 7 3566 1 1 5 CYS HB3 H -2.092 4.384 7.918 1.00 . A A . 5 CYS HB3 1 1 7 3567 1 1 5 CYS N N -0.065 6.671 9.297 1.00 . A A . 5 CYS N 1 1 7 3568 1 1 5 CYS O O -2.910 5.434 10.493 1.00 . A A . 5 CYS O 1 1 7 3569 1 1 5 CYS SG S 0.253 4.268 7.508 1.00 . A A . 5 CYS SG 1 1 7 3570 1 1 6 LEU C C -5.213 8.143 10.238 1.00 . A A . 6 LEU C 1 1 7 3571 1 1 6 LEU CA C -3.902 7.957 10.996 1.00 . A A . 6 LEU CA 1 1 7 3572 1 1 6 LEU CB C -3.533 9.218 11.791 1.00 . A A . 6 LEU CB 1 1 7 3573 1 1 6 LEU CD1 C -3.626 10.413 13.990 1.00 . A A . 6 LEU CD1 1 1 7 3574 1 1 6 LEU CD2 C -5.715 10.127 12.676 1.00 . A A . 6 LEU CD2 1 1 7 3575 1 1 6 LEU CG C -4.379 9.497 13.042 1.00 . A A . 6 LEU CG 1 1 7 3576 1 1 6 LEU H H -2.434 8.362 9.531 1.00 . A A . 6 LEU H 1 1 7 3577 1 1 6 LEU HA H -4.025 7.135 11.693 1.00 . A A . 6 LEU HA 1 1 7 3578 1 1 6 LEU HB2 H -2.498 9.107 12.099 1.00 . A A . 6 LEU HB2 1 1 7 3579 1 1 6 LEU HB3 H -3.591 10.076 11.131 1.00 . A A . 6 LEU HB3 1 1 7 3580 1 1 6 LEU HD11 H -2.689 9.951 14.272 1.00 . A A . 6 LEU HD11 1 1 7 3581 1 1 6 LEU HD12 H -4.218 10.583 14.880 1.00 . A A . 6 LEU HD12 1 1 7 3582 1 1 6 LEU HD13 H -3.427 11.360 13.505 1.00 . A A . 6 LEU HD13 1 1 7 3583 1 1 6 LEU HD21 H -6.190 10.528 13.563 1.00 . A A . 6 LEU HD21 1 1 7 3584 1 1 6 LEU HD22 H -6.362 9.380 12.249 1.00 . A A . 6 LEU HD22 1 1 7 3585 1 1 6 LEU HD23 H -5.565 10.927 11.962 1.00 . A A . 6 LEU HD23 1 1 7 3586 1 1 6 LEU HG H -4.574 8.568 13.561 1.00 . A A . 6 LEU HG 1 1 7 3587 1 1 6 LEU N N -2.841 7.634 10.057 1.00 . A A . 6 LEU N 1 1 7 3588 1 1 6 LEU O O -6.212 7.479 10.527 1.00 . A A . 6 LEU O 1 1 7 3589 1 1 7 ASP C C -5.965 9.451 6.968 1.00 . A A . 7 ASP C 1 1 7 3590 1 1 7 ASP CA C -6.371 9.260 8.421 1.00 . A A . 7 ASP CA 1 1 7 3591 1 1 7 ASP CB C -7.163 10.478 8.904 1.00 . A A . 7 ASP CB 1 1 7 3592 1 1 7 ASP CG C -8.388 10.746 8.048 1.00 . A A . 7 ASP CG 1 1 7 3593 1 1 7 ASP H H -4.369 9.530 9.061 1.00 . A A . 7 ASP H 1 1 7 3594 1 1 7 ASP HA H -7.017 8.389 8.478 1.00 . A A . 7 ASP HA 1 1 7 3595 1 1 7 ASP HB2 H -7.488 10.307 9.920 1.00 . A A . 7 ASP HB2 1 1 7 3596 1 1 7 ASP HB3 H -6.527 11.352 8.877 1.00 . A A . 7 ASP HB3 1 1 7 3597 1 1 7 ASP N N -5.199 9.033 9.256 1.00 . A A . 7 ASP N 1 1 7 3598 1 1 7 ASP O O -5.633 10.559 6.543 1.00 . A A . 7 ASP O 1 1 7 3599 1 1 7 ASP OD1 O -9.414 10.061 8.236 1.00 . A A . 7 ASP OD1 1 1 7 3600 1 1 7 ASP OD2 O -8.339 11.648 7.188 1.00 . A A . 7 ASP OD2 1 1 7 3601 1 1 8 LEU C C -6.759 7.717 3.995 1.00 . A A . 8 LEU C 1 1 7 3602 1 1 8 LEU CA C -5.678 8.431 4.787 1.00 . A A . 8 LEU CA 1 1 7 3603 1 1 8 LEU CB C -4.302 7.844 4.442 1.00 . A A . 8 LEU CB 1 1 7 3604 1 1 8 LEU CD1 C -2.731 8.300 6.353 1.00 . A A . 8 LEU CD1 1 1 7 3605 1 1 8 LEU CD2 C -1.911 8.451 3.996 1.00 . A A . 8 LEU CD2 1 1 7 3606 1 1 8 LEU CG C -3.097 8.657 4.922 1.00 . A A . 8 LEU CG 1 1 7 3607 1 1 8 LEU H H -6.202 7.491 6.610 1.00 . A A . 8 LEU H 1 1 7 3608 1 1 8 LEU HA H -5.678 9.451 4.496 1.00 . A A . 8 LEU HA 1 1 7 3609 1 1 8 LEU HB2 H -4.246 6.847 4.860 1.00 . A A . 8 LEU HB2 1 1 7 3610 1 1 8 LEU HB3 H -4.236 7.756 3.362 1.00 . A A . 8 LEU HB3 1 1 7 3611 1 1 8 LEU HD11 H -1.807 8.792 6.632 1.00 . A A . 8 LEU HD11 1 1 7 3612 1 1 8 LEU HD12 H -2.604 7.233 6.426 1.00 . A A . 8 LEU HD12 1 1 7 3613 1 1 8 LEU HD13 H -3.511 8.610 7.020 1.00 . A A . 8 LEU HD13 1 1 7 3614 1 1 8 LEU HD21 H -1.620 7.409 4.001 1.00 . A A . 8 LEU HD21 1 1 7 3615 1 1 8 LEU HD22 H -1.080 9.057 4.330 1.00 . A A . 8 LEU HD22 1 1 7 3616 1 1 8 LEU HD23 H -2.181 8.742 2.990 1.00 . A A . 8 LEU HD23 1 1 7 3617 1 1 8 LEU HG H -3.346 9.711 4.902 1.00 . A A . 8 LEU HG 1 1 7 3618 1 1 8 LEU N N -5.957 8.361 6.215 1.00 . A A . 8 LEU N 1 1 7 3619 1 1 8 LEU O O -6.511 7.237 2.884 1.00 . A A . 8 LEU O 1 1 7 3620 1 1 9 ALA C C -9.416 7.563 2.585 1.00 . A A . 9 ALA C 1 1 7 3621 1 1 9 ALA CA C -9.111 7.008 3.974 1.00 . A A . 9 ALA CA 1 1 7 3622 1 1 9 ALA CB C -10.322 7.142 4.882 1.00 . A A . 9 ALA CB 1 1 7 3623 1 1 9 ALA H H -8.084 8.117 5.447 1.00 . A A . 9 ALA H 1 1 7 3624 1 1 9 ALA HA H -8.873 5.955 3.890 1.00 . A A . 9 ALA HA 1 1 7 3625 1 1 9 ALA HB1 H -10.592 8.184 4.977 1.00 . A A . 9 ALA HB1 1 1 7 3626 1 1 9 ALA HB2 H -10.083 6.744 5.857 1.00 . A A . 9 ALA HB2 1 1 7 3627 1 1 9 ALA HB3 H -11.153 6.591 4.464 1.00 . A A . 9 ALA HB3 1 1 7 3628 1 1 9 ALA N N -7.959 7.685 4.571 1.00 . A A . 9 ALA N 1 1 7 3629 1 1 9 ALA O O -10.274 8.430 2.422 1.00 . A A . 9 ALA O 1 1 7 3630 1 1 10 CYS C C -8.392 9.004 0.159 1.00 . A A . 10 CYS C 1 1 7 3631 1 1 10 CYS CA C -8.765 7.532 0.233 1.00 . A A . 10 CYS CA 1 1 7 3632 1 1 10 CYS CB C -10.134 7.265 -0.400 1.00 . A A . 10 CYS CB 1 1 7 3633 1 1 10 CYS H H -8.024 6.360 1.809 1.00 . A A . 10 CYS H 1 1 7 3634 1 1 10 CYS HA H -8.002 7.031 -0.326 1.00 . A A . 10 CYS HA 1 1 7 3635 1 1 10 CYS HB2 H -10.914 7.421 0.326 1.00 . A A . 10 CYS HB2 1 1 7 3636 1 1 10 CYS HB3 H -10.294 7.930 -1.239 1.00 . A A . 10 CYS HB3 1 1 7 3637 1 1 10 CYS N N -8.696 7.047 1.599 1.00 . A A . 10 CYS N 1 1 7 3638 1 1 10 CYS O O -9.091 9.814 -0.453 1.00 . A A . 10 CYS O 1 1 7 3639 1 1 10 CYS SG S -10.305 5.565 -1.037 1.00 . A A . 10 CYS SG 1 1 7 3640 1 1 11 THR C C -5.976 10.775 -0.682 1.00 . A A . 11 THR C 1 1 7 3641 1 1 11 THR CA C -6.709 10.676 0.646 1.00 . A A . 11 THR CA 1 1 7 3642 1 1 11 THR CB C -5.733 10.997 1.793 1.00 . A A . 11 THR CB 1 1 7 3643 1 1 11 THR CG2 C -6.481 11.244 3.091 1.00 . A A . 11 THR CG2 1 1 7 3644 1 1 11 THR H H -6.745 8.654 1.256 1.00 . A A . 11 THR H 1 1 7 3645 1 1 11 THR HA H -7.517 11.402 0.649 1.00 . A A . 11 THR HA 1 1 7 3646 1 1 11 THR HB H -5.171 11.895 1.557 1.00 . A A . 11 THR HB 1 1 7 3647 1 1 11 THR HG1 H -4.006 10.232 2.373 1.00 . A A . 11 THR HG1 1 1 7 3648 1 1 11 THR HG21 H -7.117 12.110 2.976 1.00 . A A . 11 THR HG21 1 1 7 3649 1 1 11 THR HG22 H -5.774 11.428 3.885 1.00 . A A . 11 THR HG22 1 1 7 3650 1 1 11 THR HG23 H -7.090 10.385 3.333 1.00 . A A . 11 THR HG23 1 1 7 3651 1 1 11 THR N N -7.271 9.345 0.787 1.00 . A A . 11 THR N 1 1 7 3652 1 1 11 THR O O -5.895 11.843 -1.290 1.00 . A A . 11 THR O 1 1 7 3653 1 1 11 THR OG1 O -4.814 9.911 1.964 1.00 . A A . 11 THR OG1 1 1 7 3654 1 1 12 GLY C C -3.701 8.481 -2.350 1.00 . A A . 12 GLY C 1 1 7 3655 1 1 12 GLY CA C -4.760 9.559 -2.387 1.00 . A A . 12 GLY CA 1 1 7 3656 1 1 12 GLY H H -5.582 8.809 -0.610 1.00 . A A . 12 GLY H 1 1 7 3657 1 1 12 GLY HA2 H -5.469 9.345 -3.174 1.00 . A A . 12 GLY HA2 1 1 7 3658 1 1 12 GLY HA3 H -4.278 10.507 -2.599 1.00 . A A . 12 GLY HA3 1 1 7 3659 1 1 12 GLY N N -5.470 9.635 -1.132 1.00 . A A . 12 GLY N 1 1 7 3660 1 1 12 GLY O O -2.948 8.386 -1.380 1.00 . A A . 12 GLY O 1 1 7 3661 1 1 13 SER C C -1.256 7.151 -3.447 1.00 . A A . 13 SER C 1 1 7 3662 1 1 13 SER CA C -2.671 6.579 -3.449 1.00 . A A . 13 SER CA 1 1 7 3663 1 1 13 SER CB C -2.911 5.730 -4.695 1.00 . A A . 13 SER CB 1 1 7 3664 1 1 13 SER H H -4.292 7.766 -4.124 1.00 . A A . 13 SER H 1 1 7 3665 1 1 13 SER HA H -2.794 5.955 -2.573 1.00 . A A . 13 SER HA 1 1 7 3666 1 1 13 SER HB2 H -2.700 6.314 -5.582 1.00 . A A . 13 SER HB2 1 1 7 3667 1 1 13 SER HB3 H -2.265 4.865 -4.670 1.00 . A A . 13 SER HB3 1 1 7 3668 1 1 13 SER HG H -4.791 5.926 -5.232 1.00 . A A . 13 SER HG 1 1 7 3669 1 1 13 SER N N -3.651 7.652 -3.382 1.00 . A A . 13 SER N 1 1 7 3670 1 1 13 SER O O -0.370 6.631 -2.772 1.00 . A A . 13 SER O 1 1 7 3671 1 1 13 SER OG O -4.260 5.291 -4.745 1.00 . A A . 13 SER OG 1 1 7 3672 1 1 14 LYS C C 0.600 9.461 -2.828 1.00 . A A . 14 LYS C 1 1 7 3673 1 1 14 LYS CA C 0.233 8.926 -4.207 1.00 . A A . 14 LYS CA 1 1 7 3674 1 1 14 LYS CB C 0.221 10.060 -5.234 1.00 . A A . 14 LYS CB 1 1 7 3675 1 1 14 LYS CD C 0.104 10.723 -7.649 1.00 . A A . 14 LYS CD 1 1 7 3676 1 1 14 LYS CE C 0.166 10.232 -9.088 1.00 . A A . 14 LYS CE 1 1 7 3677 1 1 14 LYS CG C 0.073 9.570 -6.663 1.00 . A A . 14 LYS CG 1 1 7 3678 1 1 14 LYS H H -1.815 8.644 -4.671 1.00 . A A . 14 LYS H 1 1 7 3679 1 1 14 LYS HA H 0.955 8.216 -4.485 1.00 . A A . 14 LYS HA 1 1 7 3680 1 1 14 LYS HB2 H -0.604 10.722 -5.010 1.00 . A A . 14 LYS HB2 1 1 7 3681 1 1 14 LYS HB3 H 1.149 10.615 -5.160 1.00 . A A . 14 LYS HB3 1 1 7 3682 1 1 14 LYS HD2 H -0.789 11.316 -7.522 1.00 . A A . 14 LYS HD2 1 1 7 3683 1 1 14 LYS HD3 H 0.975 11.336 -7.455 1.00 . A A . 14 LYS HD3 1 1 7 3684 1 1 14 LYS HE2 H 0.220 11.090 -9.742 1.00 . A A . 14 LYS HE2 1 1 7 3685 1 1 14 LYS HE3 H 1.056 9.631 -9.215 1.00 . A A . 14 LYS HE3 1 1 7 3686 1 1 14 LYS HG2 H 0.882 8.898 -6.885 1.00 . A A . 14 LYS HG2 1 1 7 3687 1 1 14 LYS HG3 H -0.868 9.049 -6.760 1.00 . A A . 14 LYS HG3 1 1 7 3688 1 1 14 LYS HZ1 H -1.045 8.536 -8.917 1.00 . A A . 14 LYS HZ1 1 1 7 3689 1 1 14 LYS HZ2 H -0.985 9.184 -10.475 1.00 . A A . 14 LYS HZ2 1 1 7 3690 1 1 14 LYS HZ3 H -1.900 9.953 -9.280 1.00 . A A . 14 LYS HZ3 1 1 7 3691 1 1 14 LYS N N -1.061 8.251 -4.171 1.00 . A A . 14 LYS N 1 1 7 3692 1 1 14 LYS NZ N -1.023 9.421 -9.463 1.00 . A A . 14 LYS NZ 1 1 7 3693 1 1 14 LYS O O 1.776 9.568 -2.481 1.00 . A A . 14 LYS O 1 1 7 3694 1 1 15 ASP C C 0.026 9.044 0.242 1.00 . A A . 15 ASP C 1 1 7 3695 1 1 15 ASP CA C -0.222 10.234 -0.673 1.00 . A A . 15 ASP CA 1 1 7 3696 1 1 15 ASP CB C -1.446 11.019 -0.190 1.00 . A A . 15 ASP CB 1 1 7 3697 1 1 15 ASP CG C -1.606 12.346 -0.904 1.00 . A A . 15 ASP CG 1 1 7 3698 1 1 15 ASP H H -1.333 9.675 -2.369 1.00 . A A . 15 ASP H 1 1 7 3699 1 1 15 ASP HA H 0.648 10.881 -0.640 1.00 . A A . 15 ASP HA 1 1 7 3700 1 1 15 ASP HB2 H -2.334 10.437 -0.359 1.00 . A A . 15 ASP HB2 1 1 7 3701 1 1 15 ASP HB3 H -1.351 11.219 0.870 1.00 . A A . 15 ASP HB3 1 1 7 3702 1 1 15 ASP N N -0.417 9.780 -2.044 1.00 . A A . 15 ASP N 1 1 7 3703 1 1 15 ASP O O 0.678 9.162 1.276 1.00 . A A . 15 ASP O 1 1 7 3704 1 1 15 ASP OD1 O -2.098 12.355 -2.052 1.00 . A A . 15 ASP OD1 1 1 7 3705 1 1 15 ASP OD2 O -1.237 13.389 -0.325 1.00 . A A . 15 ASP OD2 1 1 7 3706 1 1 16 CYS C C 0.971 5.973 0.327 1.00 . A A . 16 CYS C 1 1 7 3707 1 1 16 CYS CA C -0.367 6.667 0.608 1.00 . A A . 16 CYS CA 1 1 7 3708 1 1 16 CYS CB C -1.535 5.736 0.268 1.00 . A A . 16 CYS CB 1 1 7 3709 1 1 16 CYS H H -1.002 7.866 -0.993 1.00 . A A . 16 CYS H 1 1 7 3710 1 1 16 CYS HA H -0.416 6.912 1.662 1.00 . A A . 16 CYS HA 1 1 7 3711 1 1 16 CYS HB2 H -2.459 6.279 0.397 1.00 . A A . 16 CYS HB2 1 1 7 3712 1 1 16 CYS HB3 H -1.454 5.428 -0.766 1.00 . A A . 16 CYS HB3 1 1 7 3713 1 1 16 CYS N N -0.494 7.897 -0.162 1.00 . A A . 16 CYS N 1 1 7 3714 1 1 16 CYS O O 1.426 5.152 1.125 1.00 . A A . 16 CYS O 1 1 7 3715 1 1 16 CYS SG S -1.648 4.232 1.286 1.00 . A A . 16 CYS SG 1 1 7 3716 1 1 17 TYR C C 3.908 5.792 -0.052 1.00 . A A . 17 TYR C 1 1 7 3717 1 1 17 TYR CA C 2.889 5.733 -1.190 1.00 . A A . 17 TYR CA 1 1 7 3718 1 1 17 TYR CB C 3.482 6.449 -2.413 1.00 . A A . 17 TYR CB 1 1 7 3719 1 1 17 TYR CD1 C 1.979 5.043 -3.883 1.00 . A A . 17 TYR CD1 1 1 7 3720 1 1 17 TYR CD2 C 2.935 7.021 -4.802 1.00 . A A . 17 TYR CD2 1 1 7 3721 1 1 17 TYR CE1 C 1.344 4.787 -5.082 1.00 . A A . 17 TYR CE1 1 1 7 3722 1 1 17 TYR CE2 C 2.302 6.774 -6.003 1.00 . A A . 17 TYR CE2 1 1 7 3723 1 1 17 TYR CG C 2.782 6.161 -3.723 1.00 . A A . 17 TYR CG 1 1 7 3724 1 1 17 TYR CZ C 1.508 5.657 -6.138 1.00 . A A . 17 TYR CZ 1 1 7 3725 1 1 17 TYR H H 1.185 6.973 -1.410 1.00 . A A . 17 TYR H 1 1 7 3726 1 1 17 TYR HA H 2.731 4.695 -1.418 1.00 . A A . 17 TYR HA 1 1 7 3727 1 1 17 TYR HB2 H 3.438 7.515 -2.240 1.00 . A A . 17 TYR HB2 1 1 7 3728 1 1 17 TYR HB3 H 4.520 6.158 -2.533 1.00 . A A . 17 TYR HB3 1 1 7 3729 1 1 17 TYR HD1 H 1.839 4.354 -3.072 1.00 . A A . 17 TYR HD1 1 1 7 3730 1 1 17 TYR HD2 H 3.558 7.899 -4.697 1.00 . A A . 17 TYR HD2 1 1 7 3731 1 1 17 TYR HE1 H 0.721 3.911 -5.187 1.00 . A A . 17 TYR HE1 1 1 7 3732 1 1 17 TYR HE2 H 2.438 7.450 -6.832 1.00 . A A . 17 TYR HE2 1 1 7 3733 1 1 17 TYR HH H 1.447 4.898 -7.901 1.00 . A A . 17 TYR HH 1 1 7 3734 1 1 17 TYR N N 1.595 6.313 -0.807 1.00 . A A . 17 TYR N 1 1 7 3735 1 1 17 TYR O O 4.499 4.775 0.307 1.00 . A A . 17 TYR O 1 1 7 3736 1 1 17 TYR OH O 0.871 5.412 -7.330 1.00 . A A . 17 TYR OH 1 1 7 3737 1 1 18 ALA C C 4.916 6.292 2.771 1.00 . A A . 18 ALA C 1 1 7 3738 1 1 18 ALA CA C 5.130 7.190 1.540 1.00 . A A . 18 ALA CA 1 1 7 3739 1 1 18 ALA CB C 5.212 8.662 1.932 1.00 . A A . 18 ALA CB 1 1 7 3740 1 1 18 ALA H H 3.592 7.758 0.183 1.00 . A A . 18 ALA H 1 1 7 3741 1 1 18 ALA HA H 6.083 6.925 1.097 1.00 . A A . 18 ALA HA 1 1 7 3742 1 1 18 ALA HB1 H 5.383 8.765 2.996 1.00 . A A . 18 ALA HB1 1 1 7 3743 1 1 18 ALA HB2 H 4.296 9.171 1.669 1.00 . A A . 18 ALA HB2 1 1 7 3744 1 1 18 ALA HB3 H 6.032 9.121 1.400 1.00 . A A . 18 ALA HB3 1 1 7 3745 1 1 18 ALA N N 4.104 6.982 0.515 1.00 . A A . 18 ALA N 1 1 7 3746 1 1 18 ALA O O 5.807 5.516 3.117 1.00 . A A . 18 ALA O 1 1 7 3747 1 1 19 PRO C C 3.575 4.016 4.278 1.00 . A A . 19 PRO C 1 1 7 3748 1 1 19 PRO CA C 3.464 5.503 4.609 1.00 . A A . 19 PRO CA 1 1 7 3749 1 1 19 PRO CB C 2.023 5.858 4.985 1.00 . A A . 19 PRO CB 1 1 7 3750 1 1 19 PRO CD C 2.618 7.272 3.166 1.00 . A A . 19 PRO CD 1 1 7 3751 1 1 19 PRO CG C 1.809 7.219 4.428 1.00 . A A . 19 PRO CG 1 1 7 3752 1 1 19 PRO HA H 4.121 5.734 5.435 1.00 . A A . 19 PRO HA 1 1 7 3753 1 1 19 PRO HB2 H 1.321 5.146 4.569 1.00 . A A . 19 PRO HB2 1 1 7 3754 1 1 19 PRO HB3 H 1.943 5.874 6.054 1.00 . A A . 19 PRO HB3 1 1 7 3755 1 1 19 PRO HD2 H 2.041 6.944 2.343 1.00 . A A . 19 PRO HD2 1 1 7 3756 1 1 19 PRO HD3 H 2.957 8.274 3.008 1.00 . A A . 19 PRO HD3 1 1 7 3757 1 1 19 PRO HG2 H 0.761 7.367 4.210 1.00 . A A . 19 PRO HG2 1 1 7 3758 1 1 19 PRO HG3 H 2.158 7.963 5.129 1.00 . A A . 19 PRO HG3 1 1 7 3759 1 1 19 PRO N N 3.745 6.360 3.448 1.00 . A A . 19 PRO N 1 1 7 3760 1 1 19 PRO O O 4.158 3.241 5.043 1.00 . A A . 19 PRO O 1 1 7 3761 1 1 20 CYS C C 4.522 1.786 2.516 1.00 . A A . 20 CYS C 1 1 7 3762 1 1 20 CYS CA C 3.075 2.241 2.688 1.00 . A A . 20 CYS CA 1 1 7 3763 1 1 20 CYS CB C 2.304 2.070 1.375 1.00 . A A . 20 CYS CB 1 1 7 3764 1 1 20 CYS H H 2.584 4.298 2.553 1.00 . A A . 20 CYS H 1 1 7 3765 1 1 20 CYS HA H 2.607 1.630 3.449 1.00 . A A . 20 CYS HA 1 1 7 3766 1 1 20 CYS HB2 H 1.293 2.419 1.516 1.00 . A A . 20 CYS HB2 1 1 7 3767 1 1 20 CYS HB3 H 2.775 2.673 0.610 1.00 . A A . 20 CYS HB3 1 1 7 3768 1 1 20 CYS N N 3.028 3.629 3.128 1.00 . A A . 20 CYS N 1 1 7 3769 1 1 20 CYS O O 4.918 0.735 3.022 1.00 . A A . 20 CYS O 1 1 7 3770 1 1 20 CYS SG S 2.238 0.353 0.761 1.00 . A A . 20 CYS SG 1 1 7 3771 1 1 21 ARG C C 7.468 2.228 2.940 1.00 . A A . 21 ARG C 1 1 7 3772 1 1 21 ARG CA C 6.727 2.314 1.612 1.00 . A A . 21 ARG CA 1 1 7 3773 1 1 21 ARG CB C 7.366 3.393 0.731 1.00 . A A . 21 ARG CB 1 1 7 3774 1 1 21 ARG CD C 9.445 4.315 -0.336 1.00 . A A . 21 ARG CD 1 1 7 3775 1 1 21 ARG CG C 8.847 3.169 0.462 1.00 . A A . 21 ARG CG 1 1 7 3776 1 1 21 ARG CZ C 9.380 6.784 -0.251 1.00 . A A . 21 ARG CZ 1 1 7 3777 1 1 21 ARG H H 4.943 3.446 1.472 1.00 . A A . 21 ARG H 1 1 7 3778 1 1 21 ARG HA H 6.802 1.360 1.107 1.00 . A A . 21 ARG HA 1 1 7 3779 1 1 21 ARG HB2 H 6.858 3.436 -0.198 1.00 . A A . 21 ARG HB2 1 1 7 3780 1 1 21 ARG HB3 H 7.251 4.345 1.230 1.00 . A A . 21 ARG HB3 1 1 7 3781 1 1 21 ARG HD2 H 10.499 4.123 -0.481 1.00 . A A . 21 ARG HD2 1 1 7 3782 1 1 21 ARG HD3 H 8.950 4.354 -1.297 1.00 . A A . 21 ARG HD3 1 1 7 3783 1 1 21 ARG HE H 9.073 5.577 1.310 1.00 . A A . 21 ARG HE 1 1 7 3784 1 1 21 ARG HG2 H 9.379 3.094 1.397 1.00 . A A . 21 ARG HG2 1 1 7 3785 1 1 21 ARG HG3 H 8.967 2.253 -0.098 1.00 . A A . 21 ARG HG3 1 1 7 3786 1 1 21 ARG HH11 H 9.945 6.050 -2.066 1.00 . A A . 21 ARG HH11 1 1 7 3787 1 1 21 ARG HH12 H 9.802 7.765 -1.970 1.00 . A A . 21 ARG HH12 1 1 7 3788 1 1 21 ARG HH21 H 8.893 7.841 1.406 1.00 . A A . 21 ARG HH21 1 1 7 3789 1 1 21 ARG HH22 H 9.213 8.788 -0.009 1.00 . A A . 21 ARG HH22 1 1 7 3790 1 1 21 ARG N N 5.315 2.606 1.830 1.00 . A A . 21 ARG N 1 1 7 3791 1 1 21 ARG NE N 9.285 5.597 0.347 1.00 . A A . 21 ARG NE 1 1 7 3792 1 1 21 ARG NH1 N 9.738 6.866 -1.530 1.00 . A A . 21 ARG NH1 1 1 7 3793 1 1 21 ARG NH2 N 9.143 7.893 0.437 1.00 . A A . 21 ARG NH2 1 1 7 3794 1 1 21 ARG O O 8.280 1.331 3.149 1.00 . A A . 21 ARG O 1 1 7 3795 1 1 22 LYS C C 7.535 1.950 5.948 1.00 . A A . 22 LYS C 1 1 7 3796 1 1 22 LYS CA C 7.813 3.214 5.136 1.00 . A A . 22 LYS CA 1 1 7 3797 1 1 22 LYS CB C 7.336 4.452 5.900 1.00 . A A . 22 LYS CB 1 1 7 3798 1 1 22 LYS CD C 7.637 6.017 7.837 1.00 . A A . 22 LYS CD 1 1 7 3799 1 1 22 LYS CE C 8.559 6.459 8.964 1.00 . A A . 22 LYS CE 1 1 7 3800 1 1 22 LYS CG C 8.166 4.781 7.128 1.00 . A A . 22 LYS CG 1 1 7 3801 1 1 22 LYS H H 6.487 3.840 3.613 1.00 . A A . 22 LYS H 1 1 7 3802 1 1 22 LYS HA H 8.880 3.293 4.971 1.00 . A A . 22 LYS HA 1 1 7 3803 1 1 22 LYS HB2 H 7.377 5.302 5.231 1.00 . A A . 22 LYS HB2 1 1 7 3804 1 1 22 LYS HB3 H 6.308 4.304 6.209 1.00 . A A . 22 LYS HB3 1 1 7 3805 1 1 22 LYS HD2 H 7.552 6.828 7.126 1.00 . A A . 22 LYS HD2 1 1 7 3806 1 1 22 LYS HD3 H 6.664 5.794 8.249 1.00 . A A . 22 LYS HD3 1 1 7 3807 1 1 22 LYS HE2 H 9.515 6.735 8.544 1.00 . A A . 22 LYS HE2 1 1 7 3808 1 1 22 LYS HE3 H 8.121 7.318 9.451 1.00 . A A . 22 LYS HE3 1 1 7 3809 1 1 22 LYS HG2 H 8.132 3.943 7.809 1.00 . A A . 22 LYS HG2 1 1 7 3810 1 1 22 LYS HG3 H 9.187 4.956 6.818 1.00 . A A . 22 LYS HG3 1 1 7 3811 1 1 22 LYS HZ1 H 9.279 5.771 10.792 1.00 . A A . 22 LYS HZ1 1 1 7 3812 1 1 22 LYS HZ2 H 9.329 4.613 9.565 1.00 . A A . 22 LYS HZ2 1 1 7 3813 1 1 22 LYS HZ3 H 7.854 5.007 10.298 1.00 . A A . 22 LYS HZ3 1 1 7 3814 1 1 22 LYS N N 7.160 3.154 3.837 1.00 . A A . 22 LYS N 1 1 7 3815 1 1 22 LYS NZ N 8.768 5.388 9.971 1.00 . A A . 22 LYS NZ 1 1 7 3816 1 1 22 LYS O O 8.397 1.475 6.688 1.00 . A A . 22 LYS O 1 1 7 3817 1 1 23 GLN C C 6.507 -1.061 5.845 1.00 . A A . 23 GLN C 1 1 7 3818 1 1 23 GLN CA C 5.944 0.197 6.513 1.00 . A A . 23 GLN CA 1 1 7 3819 1 1 23 GLN CB C 4.417 0.091 6.605 1.00 . A A . 23 GLN CB 1 1 7 3820 1 1 23 GLN CD C 2.427 -1.346 7.254 1.00 . A A . 23 GLN CD 1 1 7 3821 1 1 23 GLN CG C 3.938 -1.243 7.166 1.00 . A A . 23 GLN CG 1 1 7 3822 1 1 23 GLN H H 5.675 1.830 5.196 1.00 . A A . 23 GLN H 1 1 7 3823 1 1 23 GLN HA H 6.340 0.254 7.520 1.00 . A A . 23 GLN HA 1 1 7 3824 1 1 23 GLN HB2 H 4.055 0.875 7.243 1.00 . A A . 23 GLN HB2 1 1 7 3825 1 1 23 GLN HB3 H 3.998 0.216 5.617 1.00 . A A . 23 GLN HB3 1 1 7 3826 1 1 23 GLN HE21 H 2.566 -2.649 8.762 1.00 . A A . 23 GLN HE21 1 1 7 3827 1 1 23 GLN HE22 H 0.968 -2.236 8.253 1.00 . A A . 23 GLN HE22 1 1 7 3828 1 1 23 GLN HG2 H 4.276 -2.040 6.523 1.00 . A A . 23 GLN HG2 1 1 7 3829 1 1 23 GLN HG3 H 4.349 -1.381 8.143 1.00 . A A . 23 GLN HG3 1 1 7 3830 1 1 23 GLN N N 6.329 1.410 5.802 1.00 . A A . 23 GLN N 1 1 7 3831 1 1 23 GLN NE2 N 1.942 -2.157 8.181 1.00 . A A . 23 GLN NE2 1 1 7 3832 1 1 23 GLN O O 7.210 -1.849 6.481 1.00 . A A . 23 GLN O 1 1 7 3833 1 1 23 GLN OE1 O 1.702 -0.724 6.480 1.00 . A A . 23 GLN OE1 1 1 7 3834 1 1 24 THR C C 7.791 -2.442 3.079 1.00 . A A . 24 THR C 1 1 7 3835 1 1 24 THR CA C 6.499 -2.506 3.891 1.00 . A A . 24 THR CA 1 1 7 3836 1 1 24 THR CB C 5.348 -2.908 2.947 1.00 . A A . 24 THR CB 1 1 7 3837 1 1 24 THR CG2 C 4.062 -3.164 3.718 1.00 . A A . 24 THR CG2 1 1 7 3838 1 1 24 THR H H 5.638 -0.583 4.104 1.00 . A A . 24 THR H 1 1 7 3839 1 1 24 THR HA H 6.611 -3.287 4.635 1.00 . A A . 24 THR HA 1 1 7 3840 1 1 24 THR HB H 5.609 -3.819 2.447 1.00 . A A . 24 THR HB 1 1 7 3841 1 1 24 THR HG1 H 4.465 -2.139 1.343 1.00 . A A . 24 THR HG1 1 1 7 3842 1 1 24 THR HG21 H 3.772 -2.267 4.246 1.00 . A A . 24 THR HG21 1 1 7 3843 1 1 24 THR HG22 H 4.218 -3.965 4.426 1.00 . A A . 24 THR HG22 1 1 7 3844 1 1 24 THR HG23 H 3.279 -3.443 3.028 1.00 . A A . 24 THR HG23 1 1 7 3845 1 1 24 THR N N 6.199 -1.249 4.567 1.00 . A A . 24 THR N 1 1 7 3846 1 1 24 THR O O 8.558 -3.407 3.032 1.00 . A A . 24 THR O 1 1 7 3847 1 1 24 THR OG1 O 5.127 -1.868 1.987 1.00 . A A . 24 THR OG1 1 1 7 3848 1 1 25 GLY C C 8.633 -1.244 0.090 1.00 . A A . 25 GLY C 1 1 7 3849 1 1 25 GLY CA C 9.133 -1.182 1.520 1.00 . A A . 25 GLY CA 1 1 7 3850 1 1 25 GLY H H 7.410 -0.550 2.541 1.00 . A A . 25 GLY H 1 1 7 3851 1 1 25 GLY HA2 H 9.618 -0.229 1.674 1.00 . A A . 25 GLY HA2 1 1 7 3852 1 1 25 GLY HA3 H 9.862 -1.968 1.672 1.00 . A A . 25 GLY HA3 1 1 7 3853 1 1 25 GLY N N 8.041 -1.299 2.463 1.00 . A A . 25 GLY N 1 1 7 3854 1 1 25 GLY O O 9.332 -0.853 -0.843 1.00 . A A . 25 GLY O 1 1 7 3855 1 1 26 CYS C C 5.542 -0.967 -1.452 1.00 . A A . 26 CYS C 1 1 7 3856 1 1 26 CYS CA C 6.781 -1.863 -1.372 1.00 . A A . 26 CYS CA 1 1 7 3857 1 1 26 CYS CB C 6.422 -3.335 -1.616 1.00 . A A . 26 CYS CB 1 1 7 3858 1 1 26 CYS H H 6.891 -1.985 0.712 1.00 . A A . 26 CYS H 1 1 7 3859 1 1 26 CYS HA H 7.488 -1.572 -2.136 1.00 . A A . 26 CYS HA 1 1 7 3860 1 1 26 CYS HB2 H 5.620 -3.403 -2.342 1.00 . A A . 26 CYS HB2 1 1 7 3861 1 1 26 CYS HB3 H 7.291 -3.838 -2.013 1.00 . A A . 26 CYS HB3 1 1 7 3862 1 1 26 CYS N N 7.409 -1.724 -0.067 1.00 . A A . 26 CYS N 1 1 7 3863 1 1 26 CYS O O 4.454 -1.351 -1.021 1.00 . A A . 26 CYS O 1 1 7 3864 1 1 26 CYS SG S 5.886 -4.223 -0.113 1.00 . A A . 26 CYS SG 1 1 7 3865 1 1 27 PRO C C 3.568 1.167 -3.015 1.00 . A A . 27 PRO C 1 1 7 3866 1 1 27 PRO CA C 4.682 1.301 -1.972 1.00 . A A . 27 PRO CA 1 1 7 3867 1 1 27 PRO CB C 5.507 2.554 -2.248 1.00 . A A . 27 PRO CB 1 1 7 3868 1 1 27 PRO CD C 6.895 0.671 -2.779 1.00 . A A . 27 PRO CD 1 1 7 3869 1 1 27 PRO CG C 6.577 2.091 -3.176 1.00 . A A . 27 PRO CG 1 1 7 3870 1 1 27 PRO HA H 4.246 1.383 -0.994 1.00 . A A . 27 PRO HA 1 1 7 3871 1 1 27 PRO HB2 H 4.899 3.330 -2.697 1.00 . A A . 27 PRO HB2 1 1 7 3872 1 1 27 PRO HB3 H 5.909 2.909 -1.341 1.00 . A A . 27 PRO HB3 1 1 7 3873 1 1 27 PRO HD2 H 7.035 0.057 -3.657 1.00 . A A . 27 PRO HD2 1 1 7 3874 1 1 27 PRO HD3 H 7.775 0.643 -2.154 1.00 . A A . 27 PRO HD3 1 1 7 3875 1 1 27 PRO HG2 H 6.218 2.123 -4.194 1.00 . A A . 27 PRO HG2 1 1 7 3876 1 1 27 PRO HG3 H 7.452 2.714 -3.067 1.00 . A A . 27 PRO HG3 1 1 7 3877 1 1 27 PRO N N 5.699 0.242 -2.023 1.00 . A A . 27 PRO N 1 1 7 3878 1 1 27 PRO O O 2.879 2.140 -3.314 1.00 . A A . 27 PRO O 1 1 7 3879 1 1 28 ASN C C 0.988 -0.451 -3.767 1.00 . A A . 28 ASN C 1 1 7 3880 1 1 28 ASN CA C 2.297 -0.244 -4.515 1.00 . A A . 28 ASN CA 1 1 7 3881 1 1 28 ASN CB C 2.580 -1.437 -5.434 1.00 . A A . 28 ASN CB 1 1 7 3882 1 1 28 ASN CG C 3.596 -1.106 -6.511 1.00 . A A . 28 ASN CG 1 1 7 3883 1 1 28 ASN H H 3.949 -0.779 -3.325 1.00 . A A . 28 ASN H 1 1 7 3884 1 1 28 ASN HA H 2.199 0.646 -5.135 1.00 . A A . 28 ASN HA 1 1 7 3885 1 1 28 ASN HB2 H 2.969 -2.252 -4.842 1.00 . A A . 28 ASN HB2 1 1 7 3886 1 1 28 ASN HB3 H 1.663 -1.756 -5.916 1.00 . A A . 28 ASN HB3 1 1 7 3887 1 1 28 ASN HD21 H 2.140 -0.581 -7.775 1.00 . A A . 28 ASN HD21 1 1 7 3888 1 1 28 ASN HD22 H 3.755 -0.451 -8.373 1.00 . A A . 28 ASN HD22 1 1 7 3889 1 1 28 ASN N N 3.390 -0.021 -3.573 1.00 . A A . 28 ASN N 1 1 7 3890 1 1 28 ASN ND2 N 3.114 -0.670 -7.665 1.00 . A A . 28 ASN ND2 1 1 7 3891 1 1 28 ASN O O 0.705 -1.548 -3.272 1.00 . A A . 28 ASN O 1 1 7 3892 1 1 28 ASN OD1 O 4.802 -1.238 -6.313 1.00 . A A . 28 ASN OD1 1 1 7 3893 1 1 29 ALA C C -2.211 1.109 -3.751 1.00 . A A . 29 ALA C 1 1 7 3894 1 1 29 ALA CA C -1.047 0.576 -2.927 1.00 . A A . 29 ALA CA 1 1 7 3895 1 1 29 ALA CB C -0.900 1.371 -1.637 1.00 . A A . 29 ALA CB 1 1 7 3896 1 1 29 ALA H H 0.478 1.465 -4.080 1.00 . A A . 29 ALA H 1 1 7 3897 1 1 29 ALA HA H -1.273 -0.443 -2.664 1.00 . A A . 29 ALA HA 1 1 7 3898 1 1 29 ALA HB1 H -1.612 1.005 -0.914 1.00 . A A . 29 ALA HB1 1 1 7 3899 1 1 29 ALA HB2 H -1.077 2.424 -1.820 1.00 . A A . 29 ALA HB2 1 1 7 3900 1 1 29 ALA HB3 H 0.099 1.244 -1.246 1.00 . A A . 29 ALA HB3 1 1 7 3901 1 1 29 ALA N N 0.198 0.611 -3.676 1.00 . A A . 29 ALA N 1 1 7 3902 1 1 29 ALA O O -2.023 1.894 -4.679 1.00 . A A . 29 ALA O 1 1 7 3903 1 1 30 LYS C C -5.716 1.321 -3.049 1.00 . A A . 30 LYS C 1 1 7 3904 1 1 30 LYS CA C -4.623 1.079 -4.084 1.00 . A A . 30 LYS CA 1 1 7 3905 1 1 30 LYS CB C -5.053 -0.005 -5.076 1.00 . A A . 30 LYS CB 1 1 7 3906 1 1 30 LYS CD C -6.711 -0.833 -6.763 1.00 . A A . 30 LYS CD 1 1 7 3907 1 1 30 LYS CE C -7.955 -0.512 -7.576 1.00 . A A . 30 LYS CE 1 1 7 3908 1 1 30 LYS CG C -6.315 0.321 -5.855 1.00 . A A . 30 LYS CG 1 1 7 3909 1 1 30 LYS H H -3.483 0.026 -2.653 1.00 . A A . 30 LYS H 1 1 7 3910 1 1 30 LYS HA H -4.438 2.002 -4.624 1.00 . A A . 30 LYS HA 1 1 7 3911 1 1 30 LYS HB2 H -4.250 -0.156 -5.784 1.00 . A A . 30 LYS HB2 1 1 7 3912 1 1 30 LYS HB3 H -5.214 -0.927 -4.531 1.00 . A A . 30 LYS HB3 1 1 7 3913 1 1 30 LYS HD2 H -5.899 -1.042 -7.445 1.00 . A A . 30 LYS HD2 1 1 7 3914 1 1 30 LYS HD3 H -6.907 -1.707 -6.157 1.00 . A A . 30 LYS HD3 1 1 7 3915 1 1 30 LYS HE2 H -8.222 -1.383 -8.156 1.00 . A A . 30 LYS HE2 1 1 7 3916 1 1 30 LYS HE3 H -8.765 -0.272 -6.901 1.00 . A A . 30 LYS HE3 1 1 7 3917 1 1 30 LYS HG2 H -7.120 0.518 -5.168 1.00 . A A . 30 LYS HG2 1 1 7 3918 1 1 30 LYS HG3 H -6.130 1.197 -6.458 1.00 . A A . 30 LYS HG3 1 1 7 3919 1 1 30 LYS HZ1 H -6.885 0.482 -9.079 1.00 . A A . 30 LYS HZ1 1 1 7 3920 1 1 30 LYS HZ2 H -7.634 1.515 -7.966 1.00 . A A . 30 LYS HZ2 1 1 7 3921 1 1 30 LYS HZ3 H -8.557 0.728 -9.139 1.00 . A A . 30 LYS HZ3 1 1 7 3922 1 1 30 LYS N N -3.408 0.665 -3.403 1.00 . A A . 30 LYS N 1 1 7 3923 1 1 30 LYS NZ N -7.740 0.632 -8.502 1.00 . A A . 30 LYS NZ 1 1 7 3924 1 1 30 LYS O O -5.882 0.526 -2.123 1.00 . A A . 30 LYS O 1 1 7 3925 1 1 31 CYS C C -8.770 1.992 -2.559 1.00 . A A . 31 CYS C 1 1 7 3926 1 1 31 CYS CA C -7.485 2.726 -2.209 1.00 . A A . 31 CYS CA 1 1 7 3927 1 1 31 CYS CB C -7.751 4.228 -2.109 1.00 . A A . 31 CYS CB 1 1 7 3928 1 1 31 CYS H H -6.271 3.044 -3.922 1.00 . A A . 31 CYS H 1 1 7 3929 1 1 31 CYS HA H -7.139 2.382 -1.249 1.00 . A A . 31 CYS HA 1 1 7 3930 1 1 31 CYS HB2 H -6.808 4.755 -2.177 1.00 . A A . 31 CYS HB2 1 1 7 3931 1 1 31 CYS HB3 H -8.391 4.547 -2.921 1.00 . A A . 31 CYS HB3 1 1 7 3932 1 1 31 CYS N N -6.444 2.421 -3.177 1.00 . A A . 31 CYS N 1 1 7 3933 1 1 31 CYS O O -9.401 2.263 -3.583 1.00 . A A . 31 CYS O 1 1 7 3934 1 1 31 CYS SG S -8.533 4.710 -0.531 1.00 . A A . 31 CYS SG 1 1 7 3935 1 1 32 ILE C C -10.976 -0.003 -0.527 1.00 . A A . 32 ILE C 1 1 7 3936 1 1 32 ILE CA C -10.325 0.240 -1.880 1.00 . A A . 32 ILE CA 1 1 7 3937 1 1 32 ILE CB C -9.987 -1.121 -2.524 1.00 . A A . 32 ILE CB 1 1 7 3938 1 1 32 ILE CD1 C -8.469 -3.153 -2.281 1.00 . A A . 32 ILE CD1 1 1 7 3939 1 1 32 ILE CG1 C -8.847 -1.793 -1.750 1.00 . A A . 32 ILE CG1 1 1 7 3940 1 1 32 ILE CG2 C -9.625 -0.950 -3.996 1.00 . A A . 32 ILE CG2 1 1 7 3941 1 1 32 ILE H H -8.572 0.884 -0.910 1.00 . A A . 32 ILE H 1 1 7 3942 1 1 32 ILE HA H -11.032 0.766 -2.516 1.00 . A A . 32 ILE HA 1 1 7 3943 1 1 32 ILE HB H -10.863 -1.755 -2.478 1.00 . A A . 32 ILE HB 1 1 7 3944 1 1 32 ILE HD11 H -7.512 -3.092 -2.775 1.00 . A A . 32 ILE HD11 1 1 7 3945 1 1 32 ILE HD12 H -9.213 -3.505 -2.986 1.00 . A A . 32 ILE HD12 1 1 7 3946 1 1 32 ILE HD13 H -8.410 -3.849 -1.460 1.00 . A A . 32 ILE HD13 1 1 7 3947 1 1 32 ILE HG12 H -7.964 -1.173 -1.798 1.00 . A A . 32 ILE HG12 1 1 7 3948 1 1 32 ILE HG13 H -9.134 -1.918 -0.715 1.00 . A A . 32 ILE HG13 1 1 7 3949 1 1 32 ILE HG21 H -8.719 -0.372 -4.079 1.00 . A A . 32 ILE HG21 1 1 7 3950 1 1 32 ILE HG22 H -10.426 -0.434 -4.508 1.00 . A A . 32 ILE HG22 1 1 7 3951 1 1 32 ILE HG23 H -9.479 -1.916 -4.454 1.00 . A A . 32 ILE HG23 1 1 7 3952 1 1 32 ILE N N -9.136 1.055 -1.702 1.00 . A A . 32 ILE N 1 1 7 3953 1 1 32 ILE O O -10.304 0.047 0.501 1.00 . A A . 32 ILE O 1 1 7 3954 1 1 33 ASN C C -12.875 0.692 1.661 1.00 . A A . 33 ASN C 1 1 7 3955 1 1 33 ASN CA C -13.011 -0.502 0.717 1.00 . A A . 33 ASN CA 1 1 7 3956 1 1 33 ASN CB C -12.491 -1.770 1.413 1.00 . A A . 33 ASN CB 1 1 7 3957 1 1 33 ASN CG C -12.546 -3.000 0.526 1.00 . A A . 33 ASN CG 1 1 7 3958 1 1 33 ASN H H -12.771 -0.279 -1.376 1.00 . A A . 33 ASN H 1 1 7 3959 1 1 33 ASN HA H -14.053 -0.636 0.468 1.00 . A A . 33 ASN HA 1 1 7 3960 1 1 33 ASN HB2 H -11.469 -1.618 1.726 1.00 . A A . 33 ASN HB2 1 1 7 3961 1 1 33 ASN HB3 H -13.098 -1.962 2.288 1.00 . A A . 33 ASN HB3 1 1 7 3962 1 1 33 ASN HD21 H -10.870 -3.713 1.353 1.00 . A A . 33 ASN HD21 1 1 7 3963 1 1 33 ASN HD22 H -11.588 -4.687 0.120 1.00 . A A . 33 ASN HD22 1 1 7 3964 1 1 33 ASN N N -12.276 -0.256 -0.526 1.00 . A A . 33 ASN N 1 1 7 3965 1 1 33 ASN ND2 N -11.571 -3.885 0.684 1.00 . A A . 33 ASN ND2 1 1 7 3966 1 1 33 ASN O O -12.798 0.523 2.879 1.00 . A A . 33 ASN O 1 1 7 3967 1 1 33 ASN OD1 O -13.449 -3.153 -0.298 1.00 . A A . 33 ASN OD1 1 1 7 3968 1 1 34 LYS C C -11.320 3.363 2.441 1.00 . A A . 34 LYS C 1 1 7 3969 1 1 34 LYS CA C -12.710 3.152 1.834 1.00 . A A . 34 LYS CA 1 1 7 3970 1 1 34 LYS CB C -13.768 3.232 2.945 1.00 . A A . 34 LYS CB 1 1 7 3971 1 1 34 LYS CD C -15.758 2.755 1.467 1.00 . A A . 34 LYS CD 1 1 7 3972 1 1 34 LYS CE C -17.109 3.264 0.999 1.00 . A A . 34 LYS CE 1 1 7 3973 1 1 34 LYS CG C -15.139 3.698 2.481 1.00 . A A . 34 LYS CG 1 1 7 3974 1 1 34 LYS H H -12.865 1.964 0.100 1.00 . A A . 34 LYS H 1 1 7 3975 1 1 34 LYS HA H -12.884 3.956 1.132 1.00 . A A . 34 LYS HA 1 1 7 3976 1 1 34 LYS HB2 H -13.889 2.283 3.424 1.00 . A A . 34 LYS HB2 1 1 7 3977 1 1 34 LYS HB3 H -13.437 3.941 3.694 1.00 . A A . 34 LYS HB3 1 1 7 3978 1 1 34 LYS HD2 H -15.113 2.679 0.607 1.00 . A A . 34 LYS HD2 1 1 7 3979 1 1 34 LYS HD3 H -15.886 1.782 1.918 1.00 . A A . 34 LYS HD3 1 1 7 3980 1 1 34 LYS HE2 H -17.491 2.591 0.246 1.00 . A A . 34 LYS HE2 1 1 7 3981 1 1 34 LYS HE3 H -17.787 3.283 1.840 1.00 . A A . 34 LYS HE3 1 1 7 3982 1 1 34 LYS HG2 H -15.790 3.764 3.341 1.00 . A A . 34 LYS HG2 1 1 7 3983 1 1 34 LYS HG3 H -15.028 4.677 2.037 1.00 . A A . 34 LYS HG3 1 1 7 3984 1 1 34 LYS HZ1 H -16.198 4.706 -0.226 1.00 . A A . 34 LYS HZ1 1 1 7 3985 1 1 34 LYS HZ2 H -16.908 5.337 1.177 1.00 . A A . 34 LYS HZ2 1 1 7 3986 1 1 34 LYS HZ3 H -17.880 4.849 -0.112 1.00 . A A . 34 LYS HZ3 1 1 7 3987 1 1 34 LYS N N -12.816 1.895 1.078 1.00 . A A . 34 LYS N 1 1 7 3988 1 1 34 LYS NZ N -17.013 4.632 0.421 1.00 . A A . 34 LYS NZ 1 1 7 3989 1 1 34 LYS O O -11.079 4.382 3.091 1.00 . A A . 34 LYS O 1 1 7 3990 1 1 35 SER C C -7.994 2.210 1.824 1.00 . A A . 35 SER C 1 1 7 3991 1 1 35 SER CA C -9.093 2.507 2.840 1.00 . A A . 35 SER CA 1 1 7 3992 1 1 35 SER CB C -9.021 1.519 4.007 1.00 . A A . 35 SER CB 1 1 7 3993 1 1 35 SER H H -10.606 1.650 1.673 1.00 . A A . 35 SER H 1 1 7 3994 1 1 35 SER HA H -8.930 3.507 3.224 1.00 . A A . 35 SER HA 1 1 7 3995 1 1 35 SER HB2 H -9.891 1.649 4.634 1.00 . A A . 35 SER HB2 1 1 7 3996 1 1 35 SER HB3 H -9.004 0.504 3.630 1.00 . A A . 35 SER HB3 1 1 7 3997 1 1 35 SER HG H -7.110 1.296 4.394 1.00 . A A . 35 SER HG 1 1 7 3998 1 1 35 SER N N -10.405 2.434 2.214 1.00 . A A . 35 SER N 1 1 7 3999 1 1 35 SER O O -8.248 1.668 0.754 1.00 . A A . 35 SER O 1 1 7 4000 1 1 35 SER OG O -7.863 1.736 4.797 1.00 . A A . 35 SER OG 1 1 7 4001 1 1 36 CYS C C -5.052 0.954 1.591 1.00 . A A . 36 CYS C 1 1 7 4002 1 1 36 CYS CA C -5.644 2.320 1.277 1.00 . A A . 36 CYS CA 1 1 7 4003 1 1 36 CYS CB C -4.574 3.401 1.440 1.00 . A A . 36 CYS CB 1 1 7 4004 1 1 36 CYS H H -6.614 3.025 3.022 1.00 . A A . 36 CYS H 1 1 7 4005 1 1 36 CYS HA H -5.980 2.334 0.254 1.00 . A A . 36 CYS HA 1 1 7 4006 1 1 36 CYS HB2 H -5.005 4.361 1.195 1.00 . A A . 36 CYS HB2 1 1 7 4007 1 1 36 CYS HB3 H -4.236 3.416 2.467 1.00 . A A . 36 CYS HB3 1 1 7 4008 1 1 36 CYS N N -6.772 2.583 2.153 1.00 . A A . 36 CYS N 1 1 7 4009 1 1 36 CYS O O -4.572 0.721 2.703 1.00 . A A . 36 CYS O 1 1 7 4010 1 1 36 CYS SG S -3.114 3.163 0.373 1.00 . A A . 36 CYS SG 1 1 7 4011 1 1 37 LYS C C -3.352 -1.477 -0.126 1.00 . A A . 37 LYS C 1 1 7 4012 1 1 37 LYS CA C -4.522 -1.269 0.821 1.00 . A A . 37 LYS CA 1 1 7 4013 1 1 37 LYS CB C -5.547 -2.387 0.618 1.00 . A A . 37 LYS CB 1 1 7 4014 1 1 37 LYS CD C -5.887 -4.894 0.543 1.00 . A A . 37 LYS CD 1 1 7 4015 1 1 37 LYS CE C -5.926 -4.980 -0.978 1.00 . A A . 37 LYS CE 1 1 7 4016 1 1 37 LYS CG C -5.006 -3.752 1.020 1.00 . A A . 37 LYS CG 1 1 7 4017 1 1 37 LYS H H -5.512 0.263 -0.240 1.00 . A A . 37 LYS H 1 1 7 4018 1 1 37 LYS HA H -4.155 -1.338 1.841 1.00 . A A . 37 LYS HA 1 1 7 4019 1 1 37 LYS HB2 H -6.416 -2.173 1.226 1.00 . A A . 37 LYS HB2 1 1 7 4020 1 1 37 LYS HB3 H -5.840 -2.403 -0.420 1.00 . A A . 37 LYS HB3 1 1 7 4021 1 1 37 LYS HD2 H -5.495 -5.821 0.933 1.00 . A A . 37 LYS HD2 1 1 7 4022 1 1 37 LYS HD3 H -6.892 -4.745 0.913 1.00 . A A . 37 LYS HD3 1 1 7 4023 1 1 37 LYS HE2 H -6.479 -4.170 -1.355 1.00 . A A . 37 LYS HE2 1 1 7 4024 1 1 37 LYS HE3 H -4.913 -4.917 -1.356 1.00 . A A . 37 LYS HE3 1 1 7 4025 1 1 37 LYS HG2 H -4.019 -3.893 0.609 1.00 . A A . 37 LYS HG2 1 1 7 4026 1 1 37 LYS HG3 H -4.948 -3.791 2.098 1.00 . A A . 37 LYS HG3 1 1 7 4027 1 1 37 LYS HZ1 H -6.526 -6.283 -2.492 1.00 . A A . 37 LYS HZ1 1 1 7 4028 1 1 37 LYS HZ2 H -7.492 -6.360 -1.107 1.00 . A A . 37 LYS HZ2 1 1 7 4029 1 1 37 LYS HZ3 H -5.953 -7.067 -1.107 1.00 . A A . 37 LYS HZ3 1 1 7 4030 1 1 37 LYS N N -5.105 0.045 0.629 1.00 . A A . 37 LYS N 1 1 7 4031 1 1 37 LYS NZ N -6.515 -6.261 -1.452 1.00 . A A . 37 LYS NZ 1 1 7 4032 1 1 37 LYS O O -3.490 -1.351 -1.345 1.00 . A A . 37 LYS O 1 1 7 4033 1 1 38 CYS C C -1.136 -3.574 -0.770 1.00 . A A . 38 CYS C 1 1 7 4034 1 1 38 CYS CA C -1.033 -2.123 -0.331 1.00 . A A . 38 CYS CA 1 1 7 4035 1 1 38 CYS CB C 0.231 -1.921 0.508 1.00 . A A . 38 CYS CB 1 1 7 4036 1 1 38 CYS H H -2.157 -1.848 1.428 1.00 . A A . 38 CYS H 1 1 7 4037 1 1 38 CYS HA H -0.982 -1.493 -1.194 1.00 . A A . 38 CYS HA 1 1 7 4038 1 1 38 CYS HB2 H 0.242 -2.642 1.317 1.00 . A A . 38 CYS HB2 1 1 7 4039 1 1 38 CYS HB3 H 1.094 -2.083 -0.120 1.00 . A A . 38 CYS HB3 1 1 7 4040 1 1 38 CYS N N -2.204 -1.774 0.444 1.00 . A A . 38 CYS N 1 1 7 4041 1 1 38 CYS O O -1.733 -4.400 -0.074 1.00 . A A . 38 CYS O 1 1 7 4042 1 1 38 CYS SG S 0.370 -0.267 1.260 1.00 . A A . 38 CYS SG 1 1 7 4043 1 1 39 TYR C C 0.536 -6.023 -1.654 1.00 . A A . 39 TYR C 1 1 7 4044 1 1 39 TYR CA C -0.545 -5.269 -2.394 1.00 . A A . 39 TYR CA 1 1 7 4045 1 1 39 TYR CB C -0.283 -5.346 -3.899 1.00 . A A . 39 TYR CB 1 1 7 4046 1 1 39 TYR CD1 C -2.529 -5.453 -5.038 1.00 . A A . 39 TYR CD1 1 1 7 4047 1 1 39 TYR CD2 C -1.245 -3.458 -5.261 1.00 . A A . 39 TYR CD2 1 1 7 4048 1 1 39 TYR CE1 C -3.527 -4.905 -5.817 1.00 . A A . 39 TYR CE1 1 1 7 4049 1 1 39 TYR CE2 C -2.236 -2.902 -6.043 1.00 . A A . 39 TYR CE2 1 1 7 4050 1 1 39 TYR CG C -1.374 -4.739 -4.745 1.00 . A A . 39 TYR CG 1 1 7 4051 1 1 39 TYR CZ C -3.375 -3.630 -6.319 1.00 . A A . 39 TYR CZ 1 1 7 4052 1 1 39 TYR H H -0.105 -3.193 -2.452 1.00 . A A . 39 TYR H 1 1 7 4053 1 1 39 TYR HA H -1.504 -5.729 -2.178 1.00 . A A . 39 TYR HA 1 1 7 4054 1 1 39 TYR HB2 H 0.644 -4.832 -4.119 1.00 . A A . 39 TYR HB2 1 1 7 4055 1 1 39 TYR HB3 H -0.178 -6.387 -4.189 1.00 . A A . 39 TYR HB3 1 1 7 4056 1 1 39 TYR HD1 H -2.648 -6.453 -4.643 1.00 . A A . 39 TYR HD1 1 1 7 4057 1 1 39 TYR HD2 H -0.353 -2.888 -5.046 1.00 . A A . 39 TYR HD2 1 1 7 4058 1 1 39 TYR HE1 H -4.419 -5.475 -6.033 1.00 . A A . 39 TYR HE1 1 1 7 4059 1 1 39 TYR HE2 H -2.117 -1.903 -6.436 1.00 . A A . 39 TYR HE2 1 1 7 4060 1 1 39 TYR HH H -4.189 -3.270 -8.024 1.00 . A A . 39 TYR HH 1 1 7 4061 1 1 39 TYR N N -0.567 -3.890 -1.927 1.00 . A A . 39 TYR N 1 1 7 4062 1 1 39 TYR O O 0.484 -7.243 -1.509 1.00 . A A . 39 TYR O 1 1 7 4063 1 1 39 TYR OH O -4.369 -3.084 -7.099 1.00 . A A . 39 TYR OH 1 1 7 4064 1 1 40 GLY C C 3.640 -6.480 -1.253 1.00 . A A . 40 GLY C 1 1 7 4065 1 1 40 GLY CA C 2.579 -5.834 -0.396 1.00 . A A . 40 GLY CA 1 1 7 4066 1 1 40 GLY H H 1.510 -4.296 -1.316 1.00 . A A . 40 GLY H 1 1 7 4067 1 1 40 GLY HA2 H 3.037 -5.045 0.182 1.00 . A A . 40 GLY HA2 1 1 7 4068 1 1 40 GLY HA3 H 2.181 -6.575 0.287 1.00 . A A . 40 GLY HA3 1 1 7 4069 1 1 40 GLY N N 1.512 -5.267 -1.177 1.00 . A A . 40 GLY N 1 1 7 4070 1 1 40 GLY O O 3.540 -6.499 -2.481 1.00 . A A . 40 GLY O 1 1 7 4071 1 1 41 CYS C C 6.039 -8.978 -0.511 1.00 . A A . 41 CYS C 1 1 7 4072 1 1 41 CYS CA C 5.728 -7.692 -1.267 1.00 . A A . 41 CYS CA 1 1 7 4073 1 1 41 CYS CB C 6.951 -6.777 -1.373 1.00 . A A . 41 CYS CB 1 1 7 4074 1 1 41 CYS H H 4.674 -6.931 0.385 1.00 . A A . 41 CYS H 1 1 7 4075 1 1 41 CYS HA H 5.410 -7.963 -2.268 1.00 . A A . 41 CYS HA 1 1 7 4076 1 1 41 CYS HB2 H 7.842 -7.370 -1.532 1.00 . A A . 41 CYS HB2 1 1 7 4077 1 1 41 CYS HB3 H 6.817 -6.118 -2.219 1.00 . A A . 41 CYS HB3 1 1 7 4078 1 1 41 CYS N N 4.660 -6.991 -0.602 1.00 . A A . 41 CYS N 1 1 7 4079 1 1 41 CYS O O 5.528 -10.041 -0.924 1.00 . A A . 41 CYS O 1 1 7 4080 1 1 41 CYS OXT O 6.726 -8.914 0.531 1.00 . A A . 41 CYS OXT 1 1 7 4081 1 1 41 CYS SG S 7.236 -5.730 0.096 1.00 . A A . 41 CYS SG 1 1 8 4082 1 1 1 TRP C C 4.836 4.539 14.163 1.00 . A A . 1 TRP C 1 1 8 4083 1 1 1 TRP CA C 4.544 3.201 14.834 1.00 . A A . 1 TRP CA 1 1 8 4084 1 1 1 TRP CB C 5.165 2.048 14.042 1.00 . A A . 1 TRP CB 1 1 8 4085 1 1 1 TRP CD1 C 7.404 2.105 12.802 1.00 . A A . 1 TRP CD1 1 1 8 4086 1 1 1 TRP CD2 C 7.588 2.260 15.029 1.00 . A A . 1 TRP CD2 1 1 8 4087 1 1 1 TRP CE2 C 8.878 2.299 14.468 1.00 . A A . 1 TRP CE2 1 1 8 4088 1 1 1 TRP CE3 C 7.457 2.342 16.416 1.00 . A A . 1 TRP CE3 1 1 8 4089 1 1 1 TRP CG C 6.659 2.127 13.944 1.00 . A A . 1 TRP CG 1 1 8 4090 1 1 1 TRP CH2 C 9.866 2.504 16.600 1.00 . A A . 1 TRP CH2 1 1 8 4091 1 1 1 TRP CZ2 C 10.025 2.425 15.244 1.00 . A A . 1 TRP CZ2 1 1 8 4092 1 1 1 TRP CZ3 C 8.595 2.467 17.187 1.00 . A A . 1 TRP CZ3 1 1 8 4093 1 1 1 TRP H1 H 2.667 2.959 13.993 1.00 . A A . 1 TRP H1 1 1 8 4094 1 1 1 TRP H2 H 2.689 3.822 15.479 1.00 . A A . 1 TRP H2 1 1 8 4095 1 1 1 TRP H3 H 2.913 2.125 15.470 1.00 . A A . 1 TRP H3 1 1 8 4096 1 1 1 TRP HA H 4.952 3.219 15.828 1.00 . A A . 1 TRP HA 1 1 8 4097 1 1 1 TRP HB2 H 4.916 1.117 14.530 1.00 . A A . 1 TRP HB2 1 1 8 4098 1 1 1 TRP HB3 H 4.753 2.042 13.041 1.00 . A A . 1 TRP HB3 1 1 8 4099 1 1 1 TRP HD1 H 6.992 2.015 11.808 1.00 . A A . 1 TRP HD1 1 1 8 4100 1 1 1 TRP HE1 H 9.473 2.203 12.461 1.00 . A A . 1 TRP HE1 1 1 8 4101 1 1 1 TRP HE3 H 6.490 2.311 16.891 1.00 . A A . 1 TRP HE3 1 1 8 4102 1 1 1 TRP HH2 H 10.729 2.602 17.242 1.00 . A A . 1 TRP HH2 1 1 8 4103 1 1 1 TRP HZ2 H 11.012 2.455 14.806 1.00 . A A . 1 TRP HZ2 1 1 8 4104 1 1 1 TRP HZ3 H 8.511 2.531 18.262 1.00 . A A . 1 TRP HZ3 1 1 8 4105 1 1 1 TRP N N 3.080 3.012 14.949 1.00 . A A . 1 TRP N 1 1 8 4106 1 1 1 TRP NE1 N 8.739 2.202 13.110 1.00 . A A . 1 TRP NE1 1 1 8 4107 1 1 1 TRP O O 5.502 5.404 14.736 1.00 . A A . 1 TRP O 1 1 8 4108 1 1 2 CYS C C 3.181 6.812 12.606 1.00 . A A . 2 CYS C 1 1 8 4109 1 1 2 CYS CA C 4.414 5.986 12.259 1.00 . A A . 2 CYS CA 1 1 8 4110 1 1 2 CYS CB C 4.511 5.760 10.745 1.00 . A A . 2 CYS CB 1 1 8 4111 1 1 2 CYS H H 3.803 3.984 12.541 1.00 . A A . 2 CYS H 1 1 8 4112 1 1 2 CYS HA H 5.308 6.508 12.588 1.00 . A A . 2 CYS HA 1 1 8 4113 1 1 2 CYS HB2 H 5.466 5.300 10.529 1.00 . A A . 2 CYS HB2 1 1 8 4114 1 1 2 CYS HB3 H 3.741 5.092 10.465 1.00 . A A . 2 CYS HB3 1 1 8 4115 1 1 2 CYS N N 4.331 4.708 12.951 1.00 . A A . 2 CYS N 1 1 8 4116 1 1 2 CYS O O 2.054 6.353 12.439 1.00 . A A . 2 CYS O 1 1 8 4117 1 1 2 CYS SG S 4.405 7.284 9.748 1.00 . A A . 2 CYS SG 1 1 8 4118 1 1 3 SER C C 1.339 9.252 12.548 1.00 . A A . 3 SER C 1 1 8 4119 1 1 3 SER CA C 2.346 8.870 13.632 1.00 . A A . 3 SER CA 1 1 8 4120 1 1 3 SER CB C 2.949 10.130 14.266 1.00 . A A . 3 SER CB 1 1 8 4121 1 1 3 SER H H 4.347 8.329 13.201 1.00 . A A . 3 SER H 1 1 8 4122 1 1 3 SER HA H 1.831 8.310 14.401 1.00 . A A . 3 SER HA 1 1 8 4123 1 1 3 SER HB2 H 3.729 9.840 14.954 1.00 . A A . 3 SER HB2 1 1 8 4124 1 1 3 SER HB3 H 3.372 10.760 13.494 1.00 . A A . 3 SER HB3 1 1 8 4125 1 1 3 SER HG H 1.449 11.389 14.365 1.00 . A A . 3 SER HG 1 1 8 4126 1 1 3 SER N N 3.412 8.029 13.095 1.00 . A A . 3 SER N 1 1 8 4127 1 1 3 SER O O 0.142 9.368 12.814 1.00 . A A . 3 SER O 1 1 8 4128 1 1 3 SER OG O 1.975 10.871 14.980 1.00 . A A . 3 SER OG 1 1 8 4129 1 1 4 THR C C 0.436 8.487 9.562 1.00 . A A . 4 THR C 1 1 8 4130 1 1 4 THR CA C 0.948 9.774 10.213 1.00 . A A . 4 THR CA 1 1 8 4131 1 1 4 THR CB C 1.691 10.630 9.168 1.00 . A A . 4 THR CB 1 1 8 4132 1 1 4 THR CG2 C 0.718 11.251 8.174 1.00 . A A . 4 THR CG2 1 1 8 4133 1 1 4 THR H H 2.791 9.365 11.166 1.00 . A A . 4 THR H 1 1 8 4134 1 1 4 THR HA H 0.097 10.336 10.585 1.00 . A A . 4 THR HA 1 1 8 4135 1 1 4 THR HB H 2.392 10.013 8.618 1.00 . A A . 4 THR HB 1 1 8 4136 1 1 4 THR HG1 H 3.159 11.951 9.276 1.00 . A A . 4 THR HG1 1 1 8 4137 1 1 4 THR HG21 H 0.190 10.470 7.647 1.00 . A A . 4 THR HG21 1 1 8 4138 1 1 4 THR HG22 H 1.266 11.854 7.466 1.00 . A A . 4 THR HG22 1 1 8 4139 1 1 4 THR HG23 H 0.009 11.873 8.701 1.00 . A A . 4 THR HG23 1 1 8 4140 1 1 4 THR N N 1.824 9.459 11.333 1.00 . A A . 4 THR N 1 1 8 4141 1 1 4 THR O O -0.638 8.451 8.961 1.00 . A A . 4 THR O 1 1 8 4142 1 1 4 THR OG1 O 2.425 11.671 9.829 1.00 . A A . 4 THR OG1 1 1 8 4143 1 1 5 CYS C C 0.151 5.224 10.012 1.00 . A A . 5 CYS C 1 1 8 4144 1 1 5 CYS CA C 0.911 6.156 9.072 1.00 . A A . 5 CYS CA 1 1 8 4145 1 1 5 CYS CB C 2.218 5.496 8.629 1.00 . A A . 5 CYS CB 1 1 8 4146 1 1 5 CYS H H 1.997 7.494 10.262 1.00 . A A . 5 CYS H 1 1 8 4147 1 1 5 CYS HA H 0.302 6.337 8.194 1.00 . A A . 5 CYS HA 1 1 8 4148 1 1 5 CYS HB2 H 2.629 4.908 9.412 1.00 . A A . 5 CYS HB2 1 1 8 4149 1 1 5 CYS HB3 H 1.995 4.841 7.799 1.00 . A A . 5 CYS HB3 1 1 8 4150 1 1 5 CYS N N 1.202 7.422 9.726 1.00 . A A . 5 CYS N 1 1 8 4151 1 1 5 CYS O O 0.665 4.180 10.417 1.00 . A A . 5 CYS O 1 1 8 4152 1 1 5 CYS SG S 3.484 6.675 8.043 1.00 . A A . 5 CYS SG 1 1 8 4153 1 1 6 LEU C C -3.095 4.245 10.452 1.00 . A A . 6 LEU C 1 1 8 4154 1 1 6 LEU CA C -1.904 4.787 11.230 1.00 . A A . 6 LEU CA 1 1 8 4155 1 1 6 LEU CB C -2.383 5.590 12.442 1.00 . A A . 6 LEU CB 1 1 8 4156 1 1 6 LEU CD1 C -1.864 6.918 14.500 1.00 . A A . 6 LEU CD1 1 1 8 4157 1 1 6 LEU CD2 C -0.539 4.865 13.978 1.00 . A A . 6 LEU CD2 1 1 8 4158 1 1 6 LEU CG C -1.278 6.060 13.391 1.00 . A A . 6 LEU CG 1 1 8 4159 1 1 6 LEU H H -1.431 6.458 10.023 1.00 . A A . 6 LEU H 1 1 8 4160 1 1 6 LEU HA H -1.335 3.938 11.580 1.00 . A A . 6 LEU HA 1 1 8 4161 1 1 6 LEU HB2 H -2.910 6.462 12.079 1.00 . A A . 6 LEU HB2 1 1 8 4162 1 1 6 LEU HB3 H -3.080 4.981 13.008 1.00 . A A . 6 LEU HB3 1 1 8 4163 1 1 6 LEU HD11 H -1.071 7.262 15.150 1.00 . A A . 6 LEU HD11 1 1 8 4164 1 1 6 LEU HD12 H -2.574 6.339 15.075 1.00 . A A . 6 LEU HD12 1 1 8 4165 1 1 6 LEU HD13 H -2.366 7.774 14.069 1.00 . A A . 6 LEU HD13 1 1 8 4166 1 1 6 LEU HD21 H -0.033 4.327 13.191 1.00 . A A . 6 LEU HD21 1 1 8 4167 1 1 6 LEU HD22 H -1.240 4.206 14.471 1.00 . A A . 6 LEU HD22 1 1 8 4168 1 1 6 LEU HD23 H 0.193 5.208 14.697 1.00 . A A . 6 LEU HD23 1 1 8 4169 1 1 6 LEU HG H -0.567 6.660 12.841 1.00 . A A . 6 LEU HG 1 1 8 4170 1 1 6 LEU N N -1.066 5.610 10.367 1.00 . A A . 6 LEU N 1 1 8 4171 1 1 6 LEU O O -3.226 3.037 10.255 1.00 . A A . 6 LEU O 1 1 8 4172 1 1 7 ASP C C -5.150 5.663 7.960 1.00 . A A . 7 ASP C 1 1 8 4173 1 1 7 ASP CA C -5.103 4.777 9.191 1.00 . A A . 7 ASP CA 1 1 8 4174 1 1 7 ASP CB C -6.407 4.905 9.982 1.00 . A A . 7 ASP CB 1 1 8 4175 1 1 7 ASP CG C -7.633 4.524 9.167 1.00 . A A . 7 ASP CG 1 1 8 4176 1 1 7 ASP H H -3.803 6.103 10.193 1.00 . A A . 7 ASP H 1 1 8 4177 1 1 7 ASP HA H -4.995 3.744 8.875 1.00 . A A . 7 ASP HA 1 1 8 4178 1 1 7 ASP HB2 H -6.359 4.256 10.843 1.00 . A A . 7 ASP HB2 1 1 8 4179 1 1 7 ASP HB3 H -6.522 5.927 10.316 1.00 . A A . 7 ASP HB3 1 1 8 4180 1 1 7 ASP N N -3.957 5.147 10.010 1.00 . A A . 7 ASP N 1 1 8 4181 1 1 7 ASP O O -5.337 6.877 8.059 1.00 . A A . 7 ASP O 1 1 8 4182 1 1 7 ASP OD1 O -7.477 3.983 8.052 1.00 . A A . 7 ASP OD1 1 1 8 4183 1 1 7 ASP OD2 O -8.762 4.755 9.651 1.00 . A A . 7 ASP OD2 1 1 8 4184 1 1 8 LEU C C -6.012 5.503 4.628 1.00 . A A . 8 LEU C 1 1 8 4185 1 1 8 LEU CA C -4.861 5.810 5.568 1.00 . A A . 8 LEU CA 1 1 8 4186 1 1 8 LEU CB C -3.534 5.483 4.880 1.00 . A A . 8 LEU CB 1 1 8 4187 1 1 8 LEU CD1 C -1.059 5.198 5.007 1.00 . A A . 8 LEU CD1 1 1 8 4188 1 1 8 LEU CD2 C -2.130 7.193 6.056 1.00 . A A . 8 LEU CD2 1 1 8 4189 1 1 8 LEU CG C -2.287 5.715 5.729 1.00 . A A . 8 LEU CG 1 1 8 4190 1 1 8 LEU H H -4.834 4.081 6.774 1.00 . A A . 8 LEU H 1 1 8 4191 1 1 8 LEU HA H -4.880 6.870 5.783 1.00 . A A . 8 LEU HA 1 1 8 4192 1 1 8 LEU HB2 H -3.558 4.435 4.598 1.00 . A A . 8 LEU HB2 1 1 8 4193 1 1 8 LEU HB3 H -3.447 6.068 3.984 1.00 . A A . 8 LEU HB3 1 1 8 4194 1 1 8 LEU HD11 H -1.200 4.158 4.742 1.00 . A A . 8 LEU HD11 1 1 8 4195 1 1 8 LEU HD12 H -0.210 5.282 5.664 1.00 . A A . 8 LEU HD12 1 1 8 4196 1 1 8 LEU HD13 H -0.884 5.778 4.111 1.00 . A A . 8 LEU HD13 1 1 8 4197 1 1 8 LEU HD21 H -1.242 7.339 6.656 1.00 . A A . 8 LEU HD21 1 1 8 4198 1 1 8 LEU HD22 H -2.990 7.538 6.611 1.00 . A A . 8 LEU HD22 1 1 8 4199 1 1 8 LEU HD23 H -2.039 7.762 5.142 1.00 . A A . 8 LEU HD23 1 1 8 4200 1 1 8 LEU HG H -2.382 5.172 6.658 1.00 . A A . 8 LEU HG 1 1 8 4201 1 1 8 LEU N N -4.978 5.056 6.802 1.00 . A A . 8 LEU N 1 1 8 4202 1 1 8 LEU O O -5.858 5.618 3.412 1.00 . A A . 8 LEU O 1 1 8 4203 1 1 9 ALA C C -8.707 5.759 3.361 1.00 . A A . 9 ALA C 1 1 8 4204 1 1 9 ALA CA C -8.352 4.744 4.447 1.00 . A A . 9 ALA CA 1 1 8 4205 1 1 9 ALA CB C -9.530 4.553 5.390 1.00 . A A . 9 ALA CB 1 1 8 4206 1 1 9 ALA H H -7.204 5.088 6.189 1.00 . A A . 9 ALA H 1 1 8 4207 1 1 9 ALA HA H -8.150 3.794 3.987 1.00 . A A . 9 ALA HA 1 1 8 4208 1 1 9 ALA HB1 H -10.385 4.189 4.837 1.00 . A A . 9 ALA HB1 1 1 8 4209 1 1 9 ALA HB2 H -9.778 5.495 5.859 1.00 . A A . 9 ALA HB2 1 1 8 4210 1 1 9 ALA HB3 H -9.265 3.834 6.151 1.00 . A A . 9 ALA HB3 1 1 8 4211 1 1 9 ALA N N -7.157 5.136 5.207 1.00 . A A . 9 ALA N 1 1 8 4212 1 1 9 ALA O O -9.535 6.646 3.565 1.00 . A A . 9 ALA O 1 1 8 4213 1 1 10 CYS C C -7.935 7.941 1.445 1.00 . A A . 10 CYS C 1 1 8 4214 1 1 10 CYS CA C -8.239 6.498 1.080 1.00 . A A . 10 CYS CA 1 1 8 4215 1 1 10 CYS CB C -9.635 6.356 0.487 1.00 . A A . 10 CYS CB 1 1 8 4216 1 1 10 CYS H H -7.405 4.885 2.128 1.00 . A A . 10 CYS H 1 1 8 4217 1 1 10 CYS HA H -7.521 6.209 0.332 1.00 . A A . 10 CYS HA 1 1 8 4218 1 1 10 CYS HB2 H -10.363 6.291 1.281 1.00 . A A . 10 CYS HB2 1 1 8 4219 1 1 10 CYS HB3 H -9.867 7.214 -0.131 1.00 . A A . 10 CYS HB3 1 1 8 4220 1 1 10 CYS N N -8.054 5.613 2.214 1.00 . A A . 10 CYS N 1 1 8 4221 1 1 10 CYS O O -8.735 8.847 1.211 1.00 . A A . 10 CYS O 1 1 8 4222 1 1 10 CYS SG S -9.820 4.871 -0.551 1.00 . A A . 10 CYS SG 1 1 8 4223 1 1 11 THR C C -5.617 10.004 0.905 1.00 . A A . 11 THR C 1 1 8 4224 1 1 11 THR CA C -6.232 9.498 2.218 1.00 . A A . 11 THR CA 1 1 8 4225 1 1 11 THR CB C -5.183 9.516 3.366 1.00 . A A . 11 THR CB 1 1 8 4226 1 1 11 THR CG2 C -4.004 8.613 3.053 1.00 . A A . 11 THR CG2 1 1 8 4227 1 1 11 THR H H -6.149 7.382 2.149 1.00 . A A . 11 THR H 1 1 8 4228 1 1 11 THR HA H -7.057 10.149 2.489 1.00 . A A . 11 THR HA 1 1 8 4229 1 1 11 THR HB H -5.649 9.151 4.270 1.00 . A A . 11 THR HB 1 1 8 4230 1 1 11 THR HG1 H -4.202 11.181 2.861 1.00 . A A . 11 THR HG1 1 1 8 4231 1 1 11 THR HG21 H -3.725 8.685 2.021 1.00 . A A . 11 THR HG21 1 1 8 4232 1 1 11 THR HG22 H -4.283 7.610 3.284 1.00 . A A . 11 THR HG22 1 1 8 4233 1 1 11 THR HG23 H -3.165 8.899 3.670 1.00 . A A . 11 THR HG23 1 1 8 4234 1 1 11 THR N N -6.748 8.151 2.006 1.00 . A A . 11 THR N 1 1 8 4235 1 1 11 THR O O -4.879 10.990 0.870 1.00 . A A . 11 THR O 1 1 8 4236 1 1 11 THR OG1 O -4.706 10.845 3.612 1.00 . A A . 11 THR OG1 1 1 8 4237 1 1 12 GLY C C -4.290 8.498 -1.696 1.00 . A A . 12 GLY C 1 1 8 4238 1 1 12 GLY CA C -5.359 9.538 -1.463 1.00 . A A . 12 GLY CA 1 1 8 4239 1 1 12 GLY H H -6.595 8.586 -0.121 1.00 . A A . 12 GLY H 1 1 8 4240 1 1 12 GLY HA2 H -6.114 9.460 -2.234 1.00 . A A . 12 GLY HA2 1 1 8 4241 1 1 12 GLY HA3 H -4.911 10.523 -1.513 1.00 . A A . 12 GLY HA3 1 1 8 4242 1 1 12 GLY N N -5.986 9.328 -0.180 1.00 . A A . 12 GLY N 1 1 8 4243 1 1 12 GLY O O -3.414 8.327 -0.854 1.00 . A A . 12 GLY O 1 1 8 4244 1 1 13 SER C C -1.981 7.309 -3.084 1.00 . A A . 13 SER C 1 1 8 4245 1 1 13 SER CA C -3.388 6.727 -3.076 1.00 . A A . 13 SER CA 1 1 8 4246 1 1 13 SER CB C -3.696 6.024 -4.401 1.00 . A A . 13 SER CB 1 1 8 4247 1 1 13 SER H H -5.083 7.947 -3.457 1.00 . A A . 13 SER H 1 1 8 4248 1 1 13 SER HA H -3.458 6.003 -2.273 1.00 . A A . 13 SER HA 1 1 8 4249 1 1 13 SER HB2 H -2.990 5.221 -4.556 1.00 . A A . 13 SER HB2 1 1 8 4250 1 1 13 SER HB3 H -4.696 5.617 -4.362 1.00 . A A . 13 SER HB3 1 1 8 4251 1 1 13 SER HG H -2.694 7.079 -5.719 1.00 . A A . 13 SER HG 1 1 8 4252 1 1 13 SER N N -4.352 7.784 -2.814 1.00 . A A . 13 SER N 1 1 8 4253 1 1 13 SER O O -1.041 6.685 -2.606 1.00 . A A . 13 SER O 1 1 8 4254 1 1 13 SER OG O -3.614 6.918 -5.495 1.00 . A A . 13 SER OG 1 1 8 4255 1 1 14 LYS C C -0.091 9.440 -2.154 1.00 . A A . 14 LYS C 1 1 8 4256 1 1 14 LYS CA C -0.599 9.261 -3.580 1.00 . A A . 14 LYS CA 1 1 8 4257 1 1 14 LYS CB C -0.782 10.629 -4.238 1.00 . A A . 14 LYS CB 1 1 8 4258 1 1 14 LYS CD C 0.255 10.274 -6.498 1.00 . A A . 14 LYS CD 1 1 8 4259 1 1 14 LYS CE C 1.228 11.436 -6.391 1.00 . A A . 14 LYS CE 1 1 8 4260 1 1 14 LYS CG C -1.026 10.560 -5.735 1.00 . A A . 14 LYS CG 1 1 8 4261 1 1 14 LYS H H -2.662 8.992 -3.939 1.00 . A A . 14 LYS H 1 1 8 4262 1 1 14 LYS HA H 0.123 8.702 -4.134 1.00 . A A . 14 LYS HA 1 1 8 4263 1 1 14 LYS HB2 H -1.646 11.102 -3.788 1.00 . A A . 14 LYS HB2 1 1 8 4264 1 1 14 LYS HB3 H 0.079 11.245 -4.039 1.00 . A A . 14 LYS HB3 1 1 8 4265 1 1 14 LYS HD2 H 0.723 9.384 -6.103 1.00 . A A . 14 LYS HD2 1 1 8 4266 1 1 14 LYS HD3 H 0.011 10.119 -7.539 1.00 . A A . 14 LYS HD3 1 1 8 4267 1 1 14 LYS HE2 H 0.756 12.328 -6.775 1.00 . A A . 14 LYS HE2 1 1 8 4268 1 1 14 LYS HE3 H 1.495 11.589 -5.358 1.00 . A A . 14 LYS HE3 1 1 8 4269 1 1 14 LYS HG2 H -1.739 9.774 -5.945 1.00 . A A . 14 LYS HG2 1 1 8 4270 1 1 14 LYS HG3 H -1.433 11.506 -6.066 1.00 . A A . 14 LYS HG3 1 1 8 4271 1 1 14 LYS HZ1 H 2.960 10.342 -6.803 1.00 . A A . 14 LYS HZ1 1 1 8 4272 1 1 14 LYS HZ2 H 3.115 12.006 -7.064 1.00 . A A . 14 LYS HZ2 1 1 8 4273 1 1 14 LYS HZ3 H 2.258 11.057 -8.170 1.00 . A A . 14 LYS HZ3 1 1 8 4274 1 1 14 LYS N N -1.862 8.532 -3.593 1.00 . A A . 14 LYS N 1 1 8 4275 1 1 14 LYS NZ N 2.475 11.192 -7.160 1.00 . A A . 14 LYS NZ 1 1 8 4276 1 1 14 LYS O O 1.106 9.342 -1.889 1.00 . A A . 14 LYS O 1 1 8 4277 1 1 15 ASP C C -0.472 8.564 0.878 1.00 . A A . 15 ASP C 1 1 8 4278 1 1 15 ASP CA C -0.690 9.897 0.166 1.00 . A A . 15 ASP CA 1 1 8 4279 1 1 15 ASP CB C -1.824 10.677 0.839 1.00 . A A . 15 ASP CB 1 1 8 4280 1 1 15 ASP CG C -1.390 11.384 2.108 1.00 . A A . 15 ASP CG 1 1 8 4281 1 1 15 ASP H H -1.960 9.717 -1.507 1.00 . A A . 15 ASP H 1 1 8 4282 1 1 15 ASP HA H 0.225 10.478 0.216 1.00 . A A . 15 ASP HA 1 1 8 4283 1 1 15 ASP HB2 H -2.185 11.431 0.153 1.00 . A A . 15 ASP HB2 1 1 8 4284 1 1 15 ASP HB3 H -2.634 10.012 1.075 1.00 . A A . 15 ASP HB3 1 1 8 4285 1 1 15 ASP N N -1.020 9.668 -1.237 1.00 . A A . 15 ASP N 1 1 8 4286 1 1 15 ASP O O 0.153 8.501 1.933 1.00 . A A . 15 ASP O 1 1 8 4287 1 1 15 ASP OD1 O -0.568 12.317 2.018 1.00 . A A . 15 ASP OD1 1 1 8 4288 1 1 15 ASP OD2 O -1.892 11.039 3.199 1.00 . A A . 15 ASP OD2 1 1 8 4289 1 1 16 CYS C C 0.405 5.458 0.370 1.00 . A A . 16 CYS C 1 1 8 4290 1 1 16 CYS CA C -0.876 6.158 0.845 1.00 . A A . 16 CYS CA 1 1 8 4291 1 1 16 CYS CB C -2.109 5.311 0.478 1.00 . A A . 16 CYS CB 1 1 8 4292 1 1 16 CYS H H -1.491 7.604 -0.550 1.00 . A A . 16 CYS H 1 1 8 4293 1 1 16 CYS HA H -0.835 6.240 1.925 1.00 . A A . 16 CYS HA 1 1 8 4294 1 1 16 CYS HB2 H -2.166 5.215 -0.596 1.00 . A A . 16 CYS HB2 1 1 8 4295 1 1 16 CYS HB3 H -2.010 4.328 0.918 1.00 . A A . 16 CYS HB3 1 1 8 4296 1 1 16 CYS N N -0.998 7.500 0.284 1.00 . A A . 16 CYS N 1 1 8 4297 1 1 16 CYS O O 0.932 4.587 1.070 1.00 . A A . 16 CYS O 1 1 8 4298 1 1 16 CYS SG S -3.694 6.015 1.053 1.00 . A A . 16 CYS SG 1 1 8 4299 1 1 17 TYR C C 3.298 5.253 -0.464 1.00 . A A . 17 TYR C 1 1 8 4300 1 1 17 TYR CA C 2.094 5.211 -1.400 1.00 . A A . 17 TYR CA 1 1 8 4301 1 1 17 TYR CB C 2.480 5.882 -2.726 1.00 . A A . 17 TYR CB 1 1 8 4302 1 1 17 TYR CD1 C 0.725 4.517 -3.927 1.00 . A A . 17 TYR CD1 1 1 8 4303 1 1 17 TYR CD2 C 1.325 6.636 -4.840 1.00 . A A . 17 TYR CD2 1 1 8 4304 1 1 17 TYR CE1 C -0.176 4.325 -4.956 1.00 . A A . 17 TYR CE1 1 1 8 4305 1 1 17 TYR CE2 C 0.423 6.450 -5.872 1.00 . A A . 17 TYR CE2 1 1 8 4306 1 1 17 TYR CG C 1.491 5.674 -3.851 1.00 . A A . 17 TYR CG 1 1 8 4307 1 1 17 TYR CZ C -0.322 5.291 -5.925 1.00 . A A . 17 TYR CZ 1 1 8 4308 1 1 17 TYR H H 0.458 6.560 -1.316 1.00 . A A . 17 TYR H 1 1 8 4309 1 1 17 TYR HA H 1.858 4.177 -1.575 1.00 . A A . 17 TYR HA 1 1 8 4310 1 1 17 TYR HB2 H 2.579 6.945 -2.556 1.00 . A A . 17 TYR HB2 1 1 8 4311 1 1 17 TYR HB3 H 3.435 5.492 -3.061 1.00 . A A . 17 TYR HB3 1 1 8 4312 1 1 17 TYR HD1 H 0.824 3.753 -3.180 1.00 . A A . 17 TYR HD1 1 1 8 4313 1 1 17 TYR HD2 H 1.911 7.544 -4.800 1.00 . A A . 17 TYR HD2 1 1 8 4314 1 1 17 TYR HE1 H -0.747 3.424 -5.012 1.00 . A A . 17 TYR HE1 1 1 8 4315 1 1 17 TYR HE2 H 0.308 7.209 -6.632 1.00 . A A . 17 TYR HE2 1 1 8 4316 1 1 17 TYR HH H -2.123 5.201 -6.615 1.00 . A A . 17 TYR HH 1 1 8 4317 1 1 17 TYR N N 0.913 5.853 -0.804 1.00 . A A . 17 TYR N 1 1 8 4318 1 1 17 TYR O O 3.876 4.213 -0.136 1.00 . A A . 17 TYR O 1 1 8 4319 1 1 17 TYR OH O -1.227 5.103 -6.947 1.00 . A A . 17 TYR OH 1 1 8 4320 1 1 18 ALA C C 4.808 5.853 2.082 1.00 . A A . 18 ALA C 1 1 8 4321 1 1 18 ALA CA C 4.849 6.666 0.779 1.00 . A A . 18 ALA CA 1 1 8 4322 1 1 18 ALA CB C 5.053 8.151 1.058 1.00 . A A . 18 ALA CB 1 1 8 4323 1 1 18 ALA H H 3.144 7.244 -0.343 1.00 . A A . 18 ALA H 1 1 8 4324 1 1 18 ALA HA H 5.701 6.329 0.201 1.00 . A A . 18 ALA HA 1 1 8 4325 1 1 18 ALA HB1 H 5.404 8.305 2.071 1.00 . A A . 18 ALA HB1 1 1 8 4326 1 1 18 ALA HB2 H 4.128 8.691 0.917 1.00 . A A . 18 ALA HB2 1 1 8 4327 1 1 18 ALA HB3 H 5.791 8.538 0.370 1.00 . A A . 18 ALA HB3 1 1 8 4328 1 1 18 ALA N N 3.660 6.458 -0.040 1.00 . A A . 18 ALA N 1 1 8 4329 1 1 18 ALA O O 5.731 5.085 2.347 1.00 . A A . 18 ALA O 1 1 8 4330 1 1 19 PRO C C 3.601 3.714 3.927 1.00 . A A . 19 PRO C 1 1 8 4331 1 1 19 PRO CA C 3.631 5.222 4.164 1.00 . A A . 19 PRO CA 1 1 8 4332 1 1 19 PRO CB C 2.307 5.696 4.765 1.00 . A A . 19 PRO CB 1 1 8 4333 1 1 19 PRO CD C 2.618 6.918 2.753 1.00 . A A . 19 PRO CD 1 1 8 4334 1 1 19 PRO CG C 2.060 7.020 4.139 1.00 . A A . 19 PRO CG 1 1 8 4335 1 1 19 PRO HA H 4.437 5.455 4.845 1.00 . A A . 19 PRO HA 1 1 8 4336 1 1 19 PRO HB2 H 1.526 5.001 4.506 1.00 . A A . 19 PRO HB2 1 1 8 4337 1 1 19 PRO HB3 H 2.383 5.764 5.821 1.00 . A A . 19 PRO HB3 1 1 8 4338 1 1 19 PRO HD2 H 1.887 6.525 2.088 1.00 . A A . 19 PRO HD2 1 1 8 4339 1 1 19 PRO HD3 H 2.942 7.883 2.428 1.00 . A A . 19 PRO HD3 1 1 8 4340 1 1 19 PRO HG2 H 0.999 7.219 4.104 1.00 . A A . 19 PRO HG2 1 1 8 4341 1 1 19 PRO HG3 H 2.572 7.792 4.694 1.00 . A A . 19 PRO HG3 1 1 8 4342 1 1 19 PRO N N 3.751 5.992 2.919 1.00 . A A . 19 PRO N 1 1 8 4343 1 1 19 PRO O O 4.160 2.951 4.714 1.00 . A A . 19 PRO O 1 1 8 4344 1 1 20 CYS C C 4.365 1.374 2.276 1.00 . A A . 20 CYS C 1 1 8 4345 1 1 20 CYS CA C 2.938 1.866 2.500 1.00 . A A . 20 CYS CA 1 1 8 4346 1 1 20 CYS CB C 2.075 1.615 1.256 1.00 . A A . 20 CYS CB 1 1 8 4347 1 1 20 CYS H H 2.524 3.930 2.240 1.00 . A A . 20 CYS H 1 1 8 4348 1 1 20 CYS HA H 2.513 1.323 3.335 1.00 . A A . 20 CYS HA 1 1 8 4349 1 1 20 CYS HB2 H 1.076 1.978 1.444 1.00 . A A . 20 CYS HB2 1 1 8 4350 1 1 20 CYS HB3 H 2.494 2.163 0.423 1.00 . A A . 20 CYS HB3 1 1 8 4351 1 1 20 CYS N N 2.957 3.282 2.844 1.00 . A A . 20 CYS N 1 1 8 4352 1 1 20 CYS O O 4.756 0.316 2.779 1.00 . A A . 20 CYS O 1 1 8 4353 1 1 20 CYS SG S 1.959 -0.136 0.762 1.00 . A A . 20 CYS SG 1 1 8 4354 1 1 21 ARG C C 7.328 1.903 2.650 1.00 . A A . 21 ARG C 1 1 8 4355 1 1 21 ARG CA C 6.562 1.855 1.332 1.00 . A A . 21 ARG CA 1 1 8 4356 1 1 21 ARG CB C 7.188 2.838 0.338 1.00 . A A . 21 ARG CB 1 1 8 4357 1 1 21 ARG CD C 9.317 3.784 -0.626 1.00 . A A . 21 ARG CD 1 1 8 4358 1 1 21 ARG CG C 8.691 2.673 0.202 1.00 . A A . 21 ARG CG 1 1 8 4359 1 1 21 ARG CZ C 9.079 4.655 -2.921 1.00 . A A . 21 ARG CZ 1 1 8 4360 1 1 21 ARG H H 4.798 3.016 1.197 1.00 . A A . 21 ARG H 1 1 8 4361 1 1 21 ARG HA H 6.633 0.857 0.932 1.00 . A A . 21 ARG HA 1 1 8 4362 1 1 21 ARG HB2 H 6.746 2.675 -0.624 1.00 . A A . 21 ARG HB2 1 1 8 4363 1 1 21 ARG HB3 H 6.977 3.846 0.661 1.00 . A A . 21 ARG HB3 1 1 8 4364 1 1 21 ARG HD2 H 8.923 4.726 -0.273 1.00 . A A . 21 ARG HD2 1 1 8 4365 1 1 21 ARG HD3 H 10.386 3.767 -0.462 1.00 . A A . 21 ARG HD3 1 1 8 4366 1 1 21 ARG HE H 8.887 2.732 -2.402 1.00 . A A . 21 ARG HE 1 1 8 4367 1 1 21 ARG HG2 H 9.156 2.690 1.175 1.00 . A A . 21 ARG HG2 1 1 8 4368 1 1 21 ARG HG3 H 8.895 1.727 -0.278 1.00 . A A . 21 ARG HG3 1 1 8 4369 1 1 21 ARG HH11 H 9.410 6.105 -1.532 1.00 . A A . 21 ARG HH11 1 1 8 4370 1 1 21 ARG HH12 H 9.283 6.649 -3.158 1.00 . A A . 21 ARG HH12 1 1 8 4371 1 1 21 ARG HH21 H 8.744 3.493 -4.544 1.00 . A A . 21 ARG HH21 1 1 8 4372 1 1 21 ARG HH22 H 8.895 5.184 -4.868 1.00 . A A . 21 ARG HH22 1 1 8 4373 1 1 21 ARG N N 5.156 2.168 1.552 1.00 . A A . 21 ARG N 1 1 8 4374 1 1 21 ARG NE N 9.059 3.639 -2.058 1.00 . A A . 21 ARG NE 1 1 8 4375 1 1 21 ARG NH1 N 9.273 5.897 -2.495 1.00 . A A . 21 ARG NH1 1 1 8 4376 1 1 21 ARG NH2 N 8.891 4.424 -4.215 1.00 . A A . 21 ARG NH2 1 1 8 4377 1 1 21 ARG O O 8.141 1.030 2.940 1.00 . A A . 21 ARG O 1 1 8 4378 1 1 22 LYS C C 7.533 1.908 5.633 1.00 . A A . 22 LYS C 1 1 8 4379 1 1 22 LYS CA C 7.718 3.124 4.724 1.00 . A A . 22 LYS CA 1 1 8 4380 1 1 22 LYS CB C 7.157 4.376 5.407 1.00 . A A . 22 LYS CB 1 1 8 4381 1 1 22 LYS CD C 7.202 5.938 7.376 1.00 . A A . 22 LYS CD 1 1 8 4382 1 1 22 LYS CE C 8.040 6.498 8.516 1.00 . A A . 22 LYS CE 1 1 8 4383 1 1 22 LYS CG C 7.926 4.815 6.645 1.00 . A A . 22 LYS CG 1 1 8 4384 1 1 22 LYS H H 6.380 3.589 3.156 1.00 . A A . 22 LYS H 1 1 8 4385 1 1 22 LYS HA H 8.773 3.266 4.535 1.00 . A A . 22 LYS HA 1 1 8 4386 1 1 22 LYS HB2 H 7.179 5.191 4.698 1.00 . A A . 22 LYS HB2 1 1 8 4387 1 1 22 LYS HB3 H 6.127 4.189 5.688 1.00 . A A . 22 LYS HB3 1 1 8 4388 1 1 22 LYS HD2 H 6.990 6.738 6.680 1.00 . A A . 22 LYS HD2 1 1 8 4389 1 1 22 LYS HD3 H 6.276 5.553 7.778 1.00 . A A . 22 LYS HD3 1 1 8 4390 1 1 22 LYS HE2 H 7.409 7.123 9.131 1.00 . A A . 22 LYS HE2 1 1 8 4391 1 1 22 LYS HE3 H 8.425 5.682 9.115 1.00 . A A . 22 LYS HE3 1 1 8 4392 1 1 22 LYS HG2 H 8.032 3.976 7.318 1.00 . A A . 22 LYS HG2 1 1 8 4393 1 1 22 LYS HG3 H 8.902 5.160 6.337 1.00 . A A . 22 LYS HG3 1 1 8 4394 1 1 22 LYS HZ1 H 8.834 8.081 7.399 1.00 . A A . 22 LYS HZ1 1 1 8 4395 1 1 22 LYS HZ2 H 9.841 6.721 7.478 1.00 . A A . 22 LYS HZ2 1 1 8 4396 1 1 22 LYS HZ3 H 9.688 7.737 8.818 1.00 . A A . 22 LYS HZ3 1 1 8 4397 1 1 22 LYS N N 7.048 2.925 3.445 1.00 . A A . 22 LYS N 1 1 8 4398 1 1 22 LYS NZ N 9.178 7.314 8.016 1.00 . A A . 22 LYS NZ 1 1 8 4399 1 1 22 LYS O O 8.466 1.476 6.312 1.00 . A A . 22 LYS O 1 1 8 4400 1 1 23 GLN C C 6.414 -1.114 5.903 1.00 . A A . 23 GLN C 1 1 8 4401 1 1 23 GLN CA C 5.995 0.232 6.498 1.00 . A A . 23 GLN CA 1 1 8 4402 1 1 23 GLN CB C 4.496 0.232 6.803 1.00 . A A . 23 GLN CB 1 1 8 4403 1 1 23 GLN CD C 4.841 2.121 8.472 1.00 . A A . 23 GLN CD 1 1 8 4404 1 1 23 GLN CG C 4.141 0.808 8.172 1.00 . A A . 23 GLN CG 1 1 8 4405 1 1 23 GLN H H 5.622 1.733 5.054 1.00 . A A . 23 GLN H 1 1 8 4406 1 1 23 GLN HA H 6.545 0.348 7.420 1.00 . A A . 23 GLN HA 1 1 8 4407 1 1 23 GLN HB2 H 3.974 0.812 6.055 1.00 . A A . 23 GLN HB2 1 1 8 4408 1 1 23 GLN HB3 H 4.116 -0.782 6.772 1.00 . A A . 23 GLN HB3 1 1 8 4409 1 1 23 GLN HE21 H 6.316 1.161 9.421 1.00 . A A . 23 GLN HE21 1 1 8 4410 1 1 23 GLN HE22 H 6.447 2.882 9.347 1.00 . A A . 23 GLN HE22 1 1 8 4411 1 1 23 GLN HG2 H 3.075 0.977 8.206 1.00 . A A . 23 GLN HG2 1 1 8 4412 1 1 23 GLN HG3 H 4.410 0.085 8.930 1.00 . A A . 23 GLN HG3 1 1 8 4413 1 1 23 GLN N N 6.328 1.353 5.628 1.00 . A A . 23 GLN N 1 1 8 4414 1 1 23 GLN NE2 N 5.979 2.044 9.146 1.00 . A A . 23 GLN NE2 1 1 8 4415 1 1 23 GLN O O 7.126 -1.878 6.551 1.00 . A A . 23 GLN O 1 1 8 4416 1 1 23 GLN OE1 O 4.353 3.196 8.127 1.00 . A A . 23 GLN OE1 1 1 8 4417 1 1 24 THR C C 7.562 -2.753 3.334 1.00 . A A . 24 THR C 1 1 8 4418 1 1 24 THR CA C 6.238 -2.721 4.090 1.00 . A A . 24 THR CA 1 1 8 4419 1 1 24 THR CB C 5.106 -3.145 3.125 1.00 . A A . 24 THR CB 1 1 8 4420 1 1 24 THR CG2 C 3.760 -3.149 3.834 1.00 . A A . 24 THR CG2 1 1 8 4421 1 1 24 THR H H 5.417 -0.762 4.193 1.00 . A A . 24 THR H 1 1 8 4422 1 1 24 THR HA H 6.289 -3.454 4.888 1.00 . A A . 24 THR HA 1 1 8 4423 1 1 24 THR HB H 5.298 -4.149 2.767 1.00 . A A . 24 THR HB 1 1 8 4424 1 1 24 THR HG1 H 4.651 -2.709 1.249 1.00 . A A . 24 THR HG1 1 1 8 4425 1 1 24 THR HG21 H 3.536 -2.155 4.193 1.00 . A A . 24 THR HG21 1 1 8 4426 1 1 24 THR HG22 H 3.791 -3.835 4.668 1.00 . A A . 24 THR HG22 1 1 8 4427 1 1 24 THR HG23 H 2.992 -3.462 3.142 1.00 . A A . 24 THR HG23 1 1 8 4428 1 1 24 THR N N 5.982 -1.408 4.679 1.00 . A A . 24 THR N 1 1 8 4429 1 1 24 THR O O 8.283 -3.751 3.358 1.00 . A A . 24 THR O 1 1 8 4430 1 1 24 THR OG1 O 5.053 -2.258 1.996 1.00 . A A . 24 THR OG1 1 1 8 4431 1 1 25 GLY C C 8.620 -1.311 0.376 1.00 . A A . 25 GLY C 1 1 8 4432 1 1 25 GLY CA C 9.032 -1.610 1.802 1.00 . A A . 25 GLY CA 1 1 8 4433 1 1 25 GLY H H 7.285 -0.870 2.703 1.00 . A A . 25 GLY H 1 1 8 4434 1 1 25 GLY HA2 H 9.698 -0.829 2.139 1.00 . A A . 25 GLY HA2 1 1 8 4435 1 1 25 GLY HA3 H 9.567 -2.551 1.817 1.00 . A A . 25 GLY HA3 1 1 8 4436 1 1 25 GLY N N 7.886 -1.649 2.681 1.00 . A A . 25 GLY N 1 1 8 4437 1 1 25 GLY O O 9.419 -0.838 -0.428 1.00 . A A . 25 GLY O 1 1 8 4438 1 1 26 CYS C C 5.670 -0.364 -1.220 1.00 . A A . 26 CYS C 1 1 8 4439 1 1 26 CYS CA C 6.828 -1.354 -1.267 1.00 . A A . 26 CYS CA 1 1 8 4440 1 1 26 CYS CB C 6.369 -2.680 -1.881 1.00 . A A . 26 CYS CB 1 1 8 4441 1 1 26 CYS H H 6.748 -1.943 0.746 1.00 . A A . 26 CYS H 1 1 8 4442 1 1 26 CYS HA H 7.619 -0.955 -1.880 1.00 . A A . 26 CYS HA 1 1 8 4443 1 1 26 CYS HB2 H 5.678 -3.158 -1.220 1.00 . A A . 26 CYS HB2 1 1 8 4444 1 1 26 CYS HB3 H 5.864 -2.475 -2.813 1.00 . A A . 26 CYS HB3 1 1 8 4445 1 1 26 CYS N N 7.357 -1.573 0.070 1.00 . A A . 26 CYS N 1 1 8 4446 1 1 26 CYS O O 4.820 -0.446 -0.340 1.00 . A A . 26 CYS O 1 1 8 4447 1 1 26 CYS SG S 7.724 -3.848 -2.259 1.00 . A A . 26 CYS SG 1 1 8 4448 1 1 27 PRO C C 3.320 1.231 -2.903 1.00 . A A . 27 PRO C 1 1 8 4449 1 1 27 PRO CA C 4.605 1.642 -2.183 1.00 . A A . 27 PRO CA 1 1 8 4450 1 1 27 PRO CB C 5.311 2.742 -2.965 1.00 . A A . 27 PRO CB 1 1 8 4451 1 1 27 PRO CD C 6.558 0.718 -3.297 1.00 . A A . 27 PRO CD 1 1 8 4452 1 1 27 PRO CG C 6.125 1.999 -3.969 1.00 . A A . 27 PRO CG 1 1 8 4453 1 1 27 PRO HA H 4.368 1.999 -1.190 1.00 . A A . 27 PRO HA 1 1 8 4454 1 1 27 PRO HB2 H 4.594 3.400 -3.441 1.00 . A A . 27 PRO HB2 1 1 8 4455 1 1 27 PRO HB3 H 5.937 3.317 -2.308 1.00 . A A . 27 PRO HB3 1 1 8 4456 1 1 27 PRO HD2 H 6.464 -0.116 -3.977 1.00 . A A . 27 PRO HD2 1 1 8 4457 1 1 27 PRO HD3 H 7.575 0.812 -2.949 1.00 . A A . 27 PRO HD3 1 1 8 4458 1 1 27 PRO HG2 H 5.522 1.780 -4.838 1.00 . A A . 27 PRO HG2 1 1 8 4459 1 1 27 PRO HG3 H 6.981 2.582 -4.248 1.00 . A A . 27 PRO HG3 1 1 8 4460 1 1 27 PRO N N 5.621 0.585 -2.165 1.00 . A A . 27 PRO N 1 1 8 4461 1 1 27 PRO O O 2.544 2.080 -3.333 1.00 . A A . 27 PRO O 1 1 8 4462 1 1 28 ASN C C 0.692 -0.541 -2.921 1.00 . A A . 28 ASN C 1 1 8 4463 1 1 28 ASN CA C 1.956 -0.584 -3.767 1.00 . A A . 28 ASN CA 1 1 8 4464 1 1 28 ASN CB C 2.214 -2.019 -4.235 1.00 . A A . 28 ASN CB 1 1 8 4465 1 1 28 ASN CG C 3.372 -2.110 -5.199 1.00 . A A . 28 ASN CG 1 1 8 4466 1 1 28 ASN H H 3.743 -0.710 -2.676 1.00 . A A . 28 ASN H 1 1 8 4467 1 1 28 ASN HA H 1.802 0.038 -4.643 1.00 . A A . 28 ASN HA 1 1 8 4468 1 1 28 ASN HB2 H 2.439 -2.636 -3.378 1.00 . A A . 28 ASN HB2 1 1 8 4469 1 1 28 ASN HB3 H 1.331 -2.404 -4.727 1.00 . A A . 28 ASN HB3 1 1 8 4470 1 1 28 ASN HD21 H 2.147 -1.809 -6.745 1.00 . A A . 28 ASN HD21 1 1 8 4471 1 1 28 ASN HD22 H 3.819 -2.022 -7.122 1.00 . A A . 28 ASN HD22 1 1 8 4472 1 1 28 ASN N N 3.106 -0.066 -3.033 1.00 . A A . 28 ASN N 1 1 8 4473 1 1 28 ASN ND2 N 3.082 -1.966 -6.479 1.00 . A A . 28 ASN ND2 1 1 8 4474 1 1 28 ASN O O 0.281 -1.556 -2.356 1.00 . A A . 28 ASN O 1 1 8 4475 1 1 28 ASN OD1 O 4.520 -2.308 -4.795 1.00 . A A . 28 ASN OD1 1 1 8 4476 1 1 29 ALA C C -2.249 1.376 -2.998 1.00 . A A . 29 ALA C 1 1 8 4477 1 1 29 ALA CA C -1.161 0.802 -2.103 1.00 . A A . 29 ALA CA 1 1 8 4478 1 1 29 ALA CB C -0.935 1.704 -0.898 1.00 . A A . 29 ALA CB 1 1 8 4479 1 1 29 ALA H H 0.449 1.406 -3.327 1.00 . A A . 29 ALA H 1 1 8 4480 1 1 29 ALA HA H -1.484 -0.154 -1.737 1.00 . A A . 29 ALA HA 1 1 8 4481 1 1 29 ALA HB1 H -1.742 1.569 -0.193 1.00 . A A . 29 ALA HB1 1 1 8 4482 1 1 29 ALA HB2 H -0.900 2.740 -1.210 1.00 . A A . 29 ALA HB2 1 1 8 4483 1 1 29 ALA HB3 H -0.012 1.453 -0.432 1.00 . A A . 29 ALA HB3 1 1 8 4484 1 1 29 ALA N N 0.076 0.629 -2.848 1.00 . A A . 29 ALA N 1 1 8 4485 1 1 29 ALA O O -1.996 2.275 -3.796 1.00 . A A . 29 ALA O 1 1 8 4486 1 1 30 LYS C C -5.737 1.770 -2.809 1.00 . A A . 30 LYS C 1 1 8 4487 1 1 30 LYS CA C -4.575 1.319 -3.680 1.00 . A A . 30 LYS CA 1 1 8 4488 1 1 30 LYS CB C -5.041 0.221 -4.639 1.00 . A A . 30 LYS CB 1 1 8 4489 1 1 30 LYS CD C -3.738 0.984 -6.663 1.00 . A A . 30 LYS CD 1 1 8 4490 1 1 30 LYS CE C -4.953 1.286 -7.525 1.00 . A A . 30 LYS CE 1 1 8 4491 1 1 30 LYS CG C -4.009 -0.155 -5.692 1.00 . A A . 30 LYS CG 1 1 8 4492 1 1 30 LYS H H -3.615 0.129 -2.222 1.00 . A A . 30 LYS H 1 1 8 4493 1 1 30 LYS HA H -4.256 2.173 -4.262 1.00 . A A . 30 LYS HA 1 1 8 4494 1 1 30 LYS HB2 H -5.256 -0.665 -4.058 1.00 . A A . 30 LYS HB2 1 1 8 4495 1 1 30 LYS HB3 H -5.948 0.533 -5.135 1.00 . A A . 30 LYS HB3 1 1 8 4496 1 1 30 LYS HD2 H -3.459 1.873 -6.121 1.00 . A A . 30 LYS HD2 1 1 8 4497 1 1 30 LYS HD3 H -2.923 0.694 -7.310 1.00 . A A . 30 LYS HD3 1 1 8 4498 1 1 30 LYS HE2 H -5.267 0.381 -8.026 1.00 . A A . 30 LYS HE2 1 1 8 4499 1 1 30 LYS HE3 H -5.752 1.644 -6.895 1.00 . A A . 30 LYS HE3 1 1 8 4500 1 1 30 LYS HG2 H -3.088 -0.381 -5.187 1.00 . A A . 30 LYS HG2 1 1 8 4501 1 1 30 LYS HG3 H -4.352 -1.022 -6.237 1.00 . A A . 30 LYS HG3 1 1 8 4502 1 1 30 LYS HZ1 H -4.365 3.208 -8.094 1.00 . A A . 30 LYS HZ1 1 1 8 4503 1 1 30 LYS HZ2 H -5.507 2.502 -9.121 1.00 . A A . 30 LYS HZ2 1 1 8 4504 1 1 30 LYS HZ3 H -3.895 1.995 -9.180 1.00 . A A . 30 LYS HZ3 1 1 8 4505 1 1 30 LYS N N -3.458 0.853 -2.871 1.00 . A A . 30 LYS N 1 1 8 4506 1 1 30 LYS NZ N -4.658 2.318 -8.549 1.00 . A A . 30 LYS NZ 1 1 8 4507 1 1 30 LYS O O -5.958 1.225 -1.722 1.00 . A A . 30 LYS O 1 1 8 4508 1 1 31 CYS C C -8.883 2.578 -3.180 1.00 . A A . 31 CYS C 1 1 8 4509 1 1 31 CYS CA C -7.650 3.273 -2.623 1.00 . A A . 31 CYS CA 1 1 8 4510 1 1 31 CYS CB C -7.749 4.795 -2.812 1.00 . A A . 31 CYS CB 1 1 8 4511 1 1 31 CYS H H -6.224 3.151 -4.173 1.00 . A A . 31 CYS H 1 1 8 4512 1 1 31 CYS HA H -7.573 3.062 -1.561 1.00 . A A . 31 CYS HA 1 1 8 4513 1 1 31 CYS HB2 H -7.019 5.272 -2.177 1.00 . A A . 31 CYS HB2 1 1 8 4514 1 1 31 CYS HB3 H -7.526 5.036 -3.843 1.00 . A A . 31 CYS HB3 1 1 8 4515 1 1 31 CYS N N -6.464 2.767 -3.296 1.00 . A A . 31 CYS N 1 1 8 4516 1 1 31 CYS O O -9.500 3.044 -4.139 1.00 . A A . 31 CYS O 1 1 8 4517 1 1 31 CYS SG S -9.377 5.531 -2.417 1.00 . A A . 31 CYS SG 1 1 8 4518 1 1 32 ILE C C -11.366 0.539 -1.902 1.00 . A A . 32 ILE C 1 1 8 4519 1 1 32 ILE CA C -10.360 0.663 -3.029 1.00 . A A . 32 ILE CA 1 1 8 4520 1 1 32 ILE CB C -9.947 -0.744 -3.503 1.00 . A A . 32 ILE CB 1 1 8 4521 1 1 32 ILE CD1 C -8.771 -2.873 -2.762 1.00 . A A . 32 ILE CD1 1 1 8 4522 1 1 32 ILE CG1 C -9.087 -1.432 -2.442 1.00 . A A . 32 ILE CG1 1 1 8 4523 1 1 32 ILE CG2 C -9.204 -0.660 -4.828 1.00 . A A . 32 ILE CG2 1 1 8 4524 1 1 32 ILE H H -8.674 1.112 -1.843 1.00 . A A . 32 ILE H 1 1 8 4525 1 1 32 ILE HA H -10.845 1.169 -3.861 1.00 . A A . 32 ILE HA 1 1 8 4526 1 1 32 ILE HB H -10.843 -1.330 -3.669 1.00 . A A . 32 ILE HB 1 1 8 4527 1 1 32 ILE HD11 H -8.012 -2.913 -3.530 1.00 . A A . 32 ILE HD11 1 1 8 4528 1 1 32 ILE HD12 H -9.663 -3.377 -3.110 1.00 . A A . 32 ILE HD12 1 1 8 4529 1 1 32 ILE HD13 H -8.410 -3.367 -1.877 1.00 . A A . 32 ILE HD13 1 1 8 4530 1 1 32 ILE HG12 H -8.148 -0.909 -2.342 1.00 . A A . 32 ILE HG12 1 1 8 4531 1 1 32 ILE HG13 H -9.598 -1.422 -1.491 1.00 . A A . 32 ILE HG13 1 1 8 4532 1 1 32 ILE HG21 H -9.823 -0.159 -5.559 1.00 . A A . 32 ILE HG21 1 1 8 4533 1 1 32 ILE HG22 H -8.974 -1.654 -5.183 1.00 . A A . 32 ILE HG22 1 1 8 4534 1 1 32 ILE HG23 H -8.286 -0.104 -4.696 1.00 . A A . 32 ILE HG23 1 1 8 4535 1 1 32 ILE N N -9.216 1.443 -2.595 1.00 . A A . 32 ILE N 1 1 8 4536 1 1 32 ILE O O -10.979 0.435 -0.743 1.00 . A A . 32 ILE O 1 1 8 4537 1 1 33 ASN C C -13.509 1.451 -0.090 1.00 . A A . 33 ASN C 1 1 8 4538 1 1 33 ASN CA C -13.768 0.542 -1.296 1.00 . A A . 33 ASN CA 1 1 8 4539 1 1 33 ASN CB C -14.118 -0.889 -0.836 1.00 . A A . 33 ASN CB 1 1 8 4540 1 1 33 ASN CG C -12.967 -1.642 -0.180 1.00 . A A . 33 ASN CG 1 1 8 4541 1 1 33 ASN H H -12.876 0.634 -3.213 1.00 . A A . 33 ASN H 1 1 8 4542 1 1 33 ASN HA H -14.625 0.940 -1.821 1.00 . A A . 33 ASN HA 1 1 8 4543 1 1 33 ASN HB2 H -14.939 -0.846 -0.133 1.00 . A A . 33 ASN HB2 1 1 8 4544 1 1 33 ASN HB3 H -14.437 -1.455 -1.700 1.00 . A A . 33 ASN HB3 1 1 8 4545 1 1 33 ASN HD21 H -13.440 -0.899 1.615 1.00 . A A . 33 ASN HD21 1 1 8 4546 1 1 33 ASN HD22 H -12.080 -1.962 1.563 1.00 . A A . 33 ASN HD22 1 1 8 4547 1 1 33 ASN N N -12.649 0.550 -2.259 1.00 . A A . 33 ASN N 1 1 8 4548 1 1 33 ASN ND2 N -12.816 -1.484 1.128 1.00 . A A . 33 ASN ND2 1 1 8 4549 1 1 33 ASN O O -13.887 1.129 1.041 1.00 . A A . 33 ASN O 1 1 8 4550 1 1 33 ASN OD1 O -12.224 -2.367 -0.845 1.00 . A A . 33 ASN OD1 1 1 8 4551 1 1 34 LYS C C -11.560 2.930 1.693 1.00 . A A . 34 LYS C 1 1 8 4552 1 1 34 LYS CA C -12.505 3.567 0.669 1.00 . A A . 34 LYS CA 1 1 8 4553 1 1 34 LYS CB C -13.734 4.166 1.357 1.00 . A A . 34 LYS CB 1 1 8 4554 1 1 34 LYS CD C -14.681 6.071 2.698 1.00 . A A . 34 LYS CD 1 1 8 4555 1 1 34 LYS CE C -15.176 5.268 3.886 1.00 . A A . 34 LYS CE 1 1 8 4556 1 1 34 LYS CG C -13.432 5.466 2.086 1.00 . A A . 34 LYS CG 1 1 8 4557 1 1 34 LYS H H -12.644 2.813 -1.288 1.00 . A A . 34 LYS H 1 1 8 4558 1 1 34 LYS HA H -11.998 4.354 0.170 1.00 . A A . 34 LYS HA 1 1 8 4559 1 1 34 LYS HB2 H -14.487 4.364 0.605 1.00 . A A . 34 LYS HB2 1 1 8 4560 1 1 34 LYS HB3 H -14.129 3.453 2.068 1.00 . A A . 34 LYS HB3 1 1 8 4561 1 1 34 LYS HD2 H -14.451 7.072 3.032 1.00 . A A . 34 LYS HD2 1 1 8 4562 1 1 34 LYS HD3 H -15.463 6.115 1.951 1.00 . A A . 34 LYS HD3 1 1 8 4563 1 1 34 LYS HE2 H -15.420 4.268 3.561 1.00 . A A . 34 LYS HE2 1 1 8 4564 1 1 34 LYS HE3 H -14.397 5.226 4.634 1.00 . A A . 34 LYS HE3 1 1 8 4565 1 1 34 LYS HG2 H -12.708 5.279 2.865 1.00 . A A . 34 LYS HG2 1 1 8 4566 1 1 34 LYS HG3 H -13.018 6.171 1.378 1.00 . A A . 34 LYS HG3 1 1 8 4567 1 1 34 LYS HZ1 H -16.708 5.316 5.297 1.00 . A A . 34 LYS HZ1 1 1 8 4568 1 1 34 LYS HZ2 H -17.158 5.928 3.788 1.00 . A A . 34 LYS HZ2 1 1 8 4569 1 1 34 LYS HZ3 H -16.179 6.849 4.819 1.00 . A A . 34 LYS HZ3 1 1 8 4570 1 1 34 LYS N N -12.889 2.600 -0.361 1.00 . A A . 34 LYS N 1 1 8 4571 1 1 34 LYS NZ N -16.388 5.884 4.487 1.00 . A A . 34 LYS NZ 1 1 8 4572 1 1 34 LYS O O -11.748 3.046 2.905 1.00 . A A . 34 LYS O 1 1 8 4573 1 1 35 SER C C -8.207 1.600 1.234 1.00 . A A . 35 SER C 1 1 8 4574 1 1 35 SER CA C -9.523 1.642 2.004 1.00 . A A . 35 SER CA 1 1 8 4575 1 1 35 SER CB C -9.961 0.224 2.404 1.00 . A A . 35 SER CB 1 1 8 4576 1 1 35 SER H H -10.457 2.187 0.201 1.00 . A A . 35 SER H 1 1 8 4577 1 1 35 SER HA H -9.393 2.237 2.902 1.00 . A A . 35 SER HA 1 1 8 4578 1 1 35 SER HB2 H -10.900 0.281 2.934 1.00 . A A . 35 SER HB2 1 1 8 4579 1 1 35 SER HB3 H -10.092 -0.375 1.513 1.00 . A A . 35 SER HB3 1 1 8 4580 1 1 35 SER HG H -9.228 -1.343 3.330 1.00 . A A . 35 SER HG 1 1 8 4581 1 1 35 SER N N -10.544 2.256 1.181 1.00 . A A . 35 SER N 1 1 8 4582 1 1 35 SER O O -8.150 1.082 0.117 1.00 . A A . 35 SER O 1 1 8 4583 1 1 35 SER OG O -9.009 -0.412 3.244 1.00 . A A . 35 SER OG 1 1 8 4584 1 1 36 CYS C C -5.146 0.825 1.652 1.00 . A A . 36 CYS C 1 1 8 4585 1 1 36 CYS CA C -5.837 2.098 1.205 1.00 . A A . 36 CYS CA 1 1 8 4586 1 1 36 CYS CB C -4.966 3.306 1.559 1.00 . A A . 36 CYS CB 1 1 8 4587 1 1 36 CYS H H -7.256 2.601 2.688 1.00 . A A . 36 CYS H 1 1 8 4588 1 1 36 CYS HA H -5.957 2.070 0.139 1.00 . A A . 36 CYS HA 1 1 8 4589 1 1 36 CYS HB2 H -5.227 3.649 2.540 1.00 . A A . 36 CYS HB2 1 1 8 4590 1 1 36 CYS HB3 H -3.921 3.015 1.563 1.00 . A A . 36 CYS HB3 1 1 8 4591 1 1 36 CYS N N -7.161 2.180 1.809 1.00 . A A . 36 CYS N 1 1 8 4592 1 1 36 CYS O O -4.621 0.746 2.765 1.00 . A A . 36 CYS O 1 1 8 4593 1 1 36 CYS SG S -5.117 4.713 0.410 1.00 . A A . 36 CYS SG 1 1 8 4594 1 1 37 LYS C C -3.350 -1.690 0.191 1.00 . A A . 37 LYS C 1 1 8 4595 1 1 37 LYS CA C -4.532 -1.439 1.112 1.00 . A A . 37 LYS CA 1 1 8 4596 1 1 37 LYS CB C -5.555 -2.585 1.059 1.00 . A A . 37 LYS CB 1 1 8 4597 1 1 37 LYS CD C -5.411 -3.615 -1.253 1.00 . A A . 37 LYS CD 1 1 8 4598 1 1 37 LYS CE C -4.991 -4.940 -0.634 1.00 . A A . 37 LYS CE 1 1 8 4599 1 1 37 LYS CG C -6.246 -2.778 -0.286 1.00 . A A . 37 LYS CG 1 1 8 4600 1 1 37 LYS H H -5.593 -0.063 -0.084 1.00 . A A . 37 LYS H 1 1 8 4601 1 1 37 LYS HA H -4.148 -1.390 2.126 1.00 . A A . 37 LYS HA 1 1 8 4602 1 1 37 LYS HB2 H -5.081 -3.490 1.377 1.00 . A A . 37 LYS HB2 1 1 8 4603 1 1 37 LYS HB3 H -6.327 -2.356 1.782 1.00 . A A . 37 LYS HB3 1 1 8 4604 1 1 37 LYS HD2 H -6.015 -3.827 -2.122 1.00 . A A . 37 LYS HD2 1 1 8 4605 1 1 37 LYS HD3 H -4.542 -3.075 -1.561 1.00 . A A . 37 LYS HD3 1 1 8 4606 1 1 37 LYS HE2 H -4.443 -5.494 -1.382 1.00 . A A . 37 LYS HE2 1 1 8 4607 1 1 37 LYS HE3 H -4.344 -4.771 0.208 1.00 . A A . 37 LYS HE3 1 1 8 4608 1 1 37 LYS HG2 H -7.179 -3.290 -0.113 1.00 . A A . 37 LYS HG2 1 1 8 4609 1 1 37 LYS HG3 H -6.448 -1.819 -0.737 1.00 . A A . 37 LYS HG3 1 1 8 4610 1 1 37 LYS HZ1 H -6.640 -5.320 0.592 1.00 . A A . 37 LYS HZ1 1 1 8 4611 1 1 37 LYS HZ2 H -5.833 -6.709 0.074 1.00 . A A . 37 LYS HZ2 1 1 8 4612 1 1 37 LYS HZ3 H -6.832 -5.869 -0.999 1.00 . A A . 37 LYS HZ3 1 1 8 4613 1 1 37 LYS N N -5.158 -0.172 0.790 1.00 . A A . 37 LYS N 1 1 8 4614 1 1 37 LYS NZ N -6.155 -5.763 -0.214 1.00 . A A . 37 LYS NZ 1 1 8 4615 1 1 37 LYS O O -3.307 -1.186 -0.934 1.00 . A A . 37 LYS O 1 1 8 4616 1 1 38 CYS C C -1.121 -4.115 -0.611 1.00 . A A . 38 CYS C 1 1 8 4617 1 1 38 CYS CA C -1.162 -2.701 -0.041 1.00 . A A . 38 CYS CA 1 1 8 4618 1 1 38 CYS CB C 0.032 -2.474 0.894 1.00 . A A . 38 CYS CB 1 1 8 4619 1 1 38 CYS H H -2.502 -2.845 1.581 1.00 . A A . 38 CYS H 1 1 8 4620 1 1 38 CYS HA H -1.098 -2.005 -0.850 1.00 . A A . 38 CYS HA 1 1 8 4621 1 1 38 CYS HB2 H -0.072 -3.122 1.752 1.00 . A A . 38 CYS HB2 1 1 8 4622 1 1 38 CYS HB3 H 0.945 -2.727 0.373 1.00 . A A . 38 CYS HB3 1 1 8 4623 1 1 38 CYS N N -2.403 -2.467 0.674 1.00 . A A . 38 CYS N 1 1 8 4624 1 1 38 CYS O O -1.781 -5.023 -0.107 1.00 . A A . 38 CYS O 1 1 8 4625 1 1 38 CYS SG S 0.182 -0.767 1.517 1.00 . A A . 38 CYS SG 1 1 8 4626 1 1 39 TYR C C 0.883 -6.410 -1.627 1.00 . A A . 39 TYR C 1 1 8 4627 1 1 39 TYR CA C -0.192 -5.588 -2.322 1.00 . A A . 39 TYR CA 1 1 8 4628 1 1 39 TYR CB C 0.174 -5.413 -3.796 1.00 . A A . 39 TYR CB 1 1 8 4629 1 1 39 TYR CD1 C -1.220 -3.494 -4.664 1.00 . A A . 39 TYR CD1 1 1 8 4630 1 1 39 TYR CD2 C -1.725 -5.692 -5.429 1.00 . A A . 39 TYR CD2 1 1 8 4631 1 1 39 TYR CE1 C -2.243 -2.985 -5.440 1.00 . A A . 39 TYR CE1 1 1 8 4632 1 1 39 TYR CE2 C -2.747 -5.191 -6.208 1.00 . A A . 39 TYR CE2 1 1 8 4633 1 1 39 TYR CG C -0.944 -4.854 -4.645 1.00 . A A . 39 TYR CG 1 1 8 4634 1 1 39 TYR CZ C -3.002 -3.838 -6.211 1.00 . A A . 39 TYR CZ 1 1 8 4635 1 1 39 TYR H H 0.150 -3.514 -2.039 1.00 . A A . 39 TYR H 1 1 8 4636 1 1 39 TYR HA H -1.132 -6.125 -2.256 1.00 . A A . 39 TYR HA 1 1 8 4637 1 1 39 TYR HB2 H 1.017 -4.738 -3.866 1.00 . A A . 39 TYR HB2 1 1 8 4638 1 1 39 TYR HB3 H 0.464 -6.374 -4.211 1.00 . A A . 39 TYR HB3 1 1 8 4639 1 1 39 TYR HD1 H -0.631 -2.830 -4.063 1.00 . A A . 39 TYR HD1 1 1 8 4640 1 1 39 TYR HD2 H -1.526 -6.755 -5.428 1.00 . A A . 39 TYR HD2 1 1 8 4641 1 1 39 TYR HE1 H -2.420 -1.949 -5.446 1.00 . A A . 39 TYR HE1 1 1 8 4642 1 1 39 TYR HE2 H -3.343 -5.860 -6.811 1.00 . A A . 39 TYR HE2 1 1 8 4643 1 1 39 TYR HH H -3.675 -3.050 -7.833 1.00 . A A . 39 TYR HH 1 1 8 4644 1 1 39 TYR N N -0.349 -4.286 -1.678 1.00 . A A . 39 TYR N 1 1 8 4645 1 1 39 TYR O O 1.230 -7.507 -2.073 1.00 . A A . 39 TYR O 1 1 8 4646 1 1 39 TYR OH O -4.026 -3.342 -6.989 1.00 . A A . 39 TYR OH 1 1 8 4647 1 1 40 GLY C C 3.832 -6.203 -0.374 1.00 . A A . 40 GLY C 1 1 8 4648 1 1 40 GLY CA C 2.465 -6.538 0.181 1.00 . A A . 40 GLY CA 1 1 8 4649 1 1 40 GLY H H 1.129 -4.998 -0.220 1.00 . A A . 40 GLY H 1 1 8 4650 1 1 40 GLY HA2 H 2.426 -6.223 1.214 1.00 . A A . 40 GLY HA2 1 1 8 4651 1 1 40 GLY HA3 H 2.323 -7.612 0.142 1.00 . A A . 40 GLY HA3 1 1 8 4652 1 1 40 GLY N N 1.410 -5.869 -0.542 1.00 . A A . 40 GLY N 1 1 8 4653 1 1 40 GLY O O 3.951 -5.494 -1.377 1.00 . A A . 40 GLY O 1 1 8 4654 1 1 41 CYS C C 7.111 -7.604 0.327 1.00 . A A . 41 CYS C 1 1 8 4655 1 1 41 CYS CA C 6.222 -6.481 -0.180 1.00 . A A . 41 CYS CA 1 1 8 4656 1 1 41 CYS CB C 6.731 -5.126 0.311 1.00 . A A . 41 CYS CB 1 1 8 4657 1 1 41 CYS H H 4.710 -7.260 1.076 1.00 . A A . 41 CYS H 1 1 8 4658 1 1 41 CYS HA H 6.233 -6.498 -1.265 1.00 . A A . 41 CYS HA 1 1 8 4659 1 1 41 CYS HB2 H 5.986 -4.384 0.120 1.00 . A A . 41 CYS HB2 1 1 8 4660 1 1 41 CYS HB3 H 6.895 -5.172 1.380 1.00 . A A . 41 CYS HB3 1 1 8 4661 1 1 41 CYS N N 4.865 -6.704 0.273 1.00 . A A . 41 CYS N 1 1 8 4662 1 1 41 CYS O O 7.318 -8.582 -0.422 1.00 . A A . 41 CYS O 1 1 8 4663 1 1 41 CYS OXT O 7.562 -7.529 1.486 1.00 . A A . 41 CYS OXT 1 1 8 4664 1 1 41 CYS SG S 8.293 -4.591 -0.457 1.00 . A A . 41 CYS SG 1 1 9 4665 1 1 1 TRP C C 2.210 1.704 9.791 1.00 . A A . 1 TRP C 1 1 9 4666 1 1 1 TRP CA C 3.408 0.872 9.354 1.00 . A A . 1 TRP CA 1 1 9 4667 1 1 1 TRP CB C 3.742 -0.181 10.414 1.00 . A A . 1 TRP CB 1 1 9 4668 1 1 1 TRP CD1 C 6.008 -1.141 9.690 1.00 . A A . 1 TRP CD1 1 1 9 4669 1 1 1 TRP CD2 C 4.308 -2.596 9.573 1.00 . A A . 1 TRP CD2 1 1 9 4670 1 1 1 TRP CE2 C 5.481 -3.242 9.145 1.00 . A A . 1 TRP CE2 1 1 9 4671 1 1 1 TRP CE3 C 3.110 -3.316 9.586 1.00 . A A . 1 TRP CE3 1 1 9 4672 1 1 1 TRP CG C 4.665 -1.250 9.914 1.00 . A A . 1 TRP CG 1 1 9 4673 1 1 1 TRP CH2 C 4.306 -5.254 8.758 1.00 . A A . 1 TRP CH2 1 1 9 4674 1 1 1 TRP CZ2 C 5.492 -4.574 8.735 1.00 . A A . 1 TRP CZ2 1 1 9 4675 1 1 1 TRP CZ3 C 3.122 -4.638 9.179 1.00 . A A . 1 TRP CZ3 1 1 9 4676 1 1 1 TRP H1 H 4.322 2.421 8.358 1.00 . A A . 1 TRP H1 1 1 9 4677 1 1 1 TRP H2 H 5.372 1.157 8.789 1.00 . A A . 1 TRP H2 1 1 9 4678 1 1 1 TRP H3 H 4.821 2.241 9.985 1.00 . A A . 1 TRP H3 1 1 9 4679 1 1 1 TRP HA H 3.159 0.388 8.446 1.00 . A A . 1 TRP HA 1 1 9 4680 1 1 1 TRP HB2 H 4.220 0.304 11.252 1.00 . A A . 1 TRP HB2 1 1 9 4681 1 1 1 TRP HB3 H 2.830 -0.659 10.754 1.00 . A A . 1 TRP HB3 1 1 9 4682 1 1 1 TRP HD1 H 6.584 -0.243 9.857 1.00 . A A . 1 TRP HD1 1 1 9 4683 1 1 1 TRP HE1 H 7.439 -2.507 8.987 1.00 . A A . 1 TRP HE1 1 1 9 4684 1 1 1 TRP HE3 H 2.187 -2.858 9.908 1.00 . A A . 1 TRP HE3 1 1 9 4685 1 1 1 TRP HH2 H 4.269 -6.288 8.448 1.00 . A A . 1 TRP HH2 1 1 9 4686 1 1 1 TRP HZ2 H 6.397 -5.064 8.408 1.00 . A A . 1 TRP HZ2 1 1 9 4687 1 1 1 TRP HZ3 H 2.206 -5.209 9.182 1.00 . A A . 1 TRP HZ3 1 1 9 4688 1 1 1 TRP N N 4.583 1.740 9.101 1.00 . A A . 1 TRP N 1 1 9 4689 1 1 1 TRP NE1 N 6.504 -2.334 9.223 1.00 . A A . 1 TRP NE1 1 1 9 4690 1 1 1 TRP O O 2.149 2.178 10.924 1.00 . A A . 1 TRP O 1 1 9 4691 1 1 2 CYS C C -1.033 1.831 9.727 1.00 . A A . 2 CYS C 1 1 9 4692 1 1 2 CYS CA C 0.087 2.692 9.153 1.00 . A A . 2 CYS CA 1 1 9 4693 1 1 2 CYS CB C -0.384 3.388 7.872 1.00 . A A . 2 CYS CB 1 1 9 4694 1 1 2 CYS H H 1.364 1.476 7.988 1.00 . A A . 2 CYS H 1 1 9 4695 1 1 2 CYS HA H 0.374 3.436 9.876 1.00 . A A . 2 CYS HA 1 1 9 4696 1 1 2 CYS HB2 H 0.457 3.890 7.417 1.00 . A A . 2 CYS HB2 1 1 9 4697 1 1 2 CYS HB3 H -0.772 2.652 7.180 1.00 . A A . 2 CYS HB3 1 1 9 4698 1 1 2 CYS N N 1.262 1.881 8.882 1.00 . A A . 2 CYS N 1 1 9 4699 1 1 2 CYS O O -1.579 0.965 9.044 1.00 . A A . 2 CYS O 1 1 9 4700 1 1 2 CYS SG S -1.683 4.635 8.149 1.00 . A A . 2 CYS SG 1 1 9 4701 1 1 3 SER C C -3.774 1.896 11.317 1.00 . A A . 3 SER C 1 1 9 4702 1 1 3 SER CA C -2.407 1.307 11.649 1.00 . A A . 3 SER CA 1 1 9 4703 1 1 3 SER CB C -2.174 1.298 13.163 1.00 . A A . 3 SER CB 1 1 9 4704 1 1 3 SER H H -0.884 2.764 11.493 1.00 . A A . 3 SER H 1 1 9 4705 1 1 3 SER HA H -2.377 0.284 11.291 1.00 . A A . 3 SER HA 1 1 9 4706 1 1 3 SER HB2 H -1.194 0.894 13.368 1.00 . A A . 3 SER HB2 1 1 9 4707 1 1 3 SER HB3 H -2.229 2.309 13.543 1.00 . A A . 3 SER HB3 1 1 9 4708 1 1 3 SER HG H -3.950 1.003 13.939 1.00 . A A . 3 SER HG 1 1 9 4709 1 1 3 SER N N -1.360 2.062 10.988 1.00 . A A . 3 SER N 1 1 9 4710 1 1 3 SER O O -4.657 1.200 10.820 1.00 . A A . 3 SER O 1 1 9 4711 1 1 3 SER OG O -3.136 0.504 13.833 1.00 . A A . 3 SER OG 1 1 9 4712 1 1 4 THR C C -4.954 5.337 10.984 1.00 . A A . 4 THR C 1 1 9 4713 1 1 4 THR CA C -5.207 3.857 11.289 1.00 . A A . 4 THR CA 1 1 9 4714 1 1 4 THR CB C -6.223 3.704 12.451 1.00 . A A . 4 THR CB 1 1 9 4715 1 1 4 THR CG2 C -7.629 4.118 12.022 1.00 . A A . 4 THR CG2 1 1 9 4716 1 1 4 THR H H -3.212 3.700 11.992 1.00 . A A . 4 THR H 1 1 9 4717 1 1 4 THR HA H -5.627 3.406 10.395 1.00 . A A . 4 THR HA 1 1 9 4718 1 1 4 THR HB H -5.923 4.322 13.287 1.00 . A A . 4 THR HB 1 1 9 4719 1 1 4 THR HG1 H -6.502 1.747 12.154 1.00 . A A . 4 THR HG1 1 1 9 4720 1 1 4 THR HG21 H -7.818 3.803 11.003 1.00 . A A . 4 THR HG21 1 1 9 4721 1 1 4 THR HG22 H -7.732 5.189 12.093 1.00 . A A . 4 THR HG22 1 1 9 4722 1 1 4 THR HG23 H -8.351 3.651 12.676 1.00 . A A . 4 THR HG23 1 1 9 4723 1 1 4 THR N N -3.951 3.183 11.590 1.00 . A A . 4 THR N 1 1 9 4724 1 1 4 THR O O -5.706 6.221 11.390 1.00 . A A . 4 THR O 1 1 9 4725 1 1 4 THR OG1 O -6.258 2.334 12.882 1.00 . A A . 4 THR OG1 1 1 9 4726 1 1 5 CYS C C -4.097 7.199 8.434 1.00 . A A . 5 CYS C 1 1 9 4727 1 1 5 CYS CA C -3.540 6.947 9.831 1.00 . A A . 5 CYS CA 1 1 9 4728 1 1 5 CYS CB C -2.022 7.148 9.862 1.00 . A A . 5 CYS CB 1 1 9 4729 1 1 5 CYS H H -3.347 4.852 9.974 1.00 . A A . 5 CYS H 1 1 9 4730 1 1 5 CYS HA H -3.992 7.659 10.512 1.00 . A A . 5 CYS HA 1 1 9 4731 1 1 5 CYS HB2 H -1.690 7.754 9.031 1.00 . A A . 5 CYS HB2 1 1 9 4732 1 1 5 CYS HB3 H -1.767 7.658 10.780 1.00 . A A . 5 CYS HB3 1 1 9 4733 1 1 5 CYS N N -3.873 5.597 10.265 1.00 . A A . 5 CYS N 1 1 9 4734 1 1 5 CYS O O -3.357 7.436 7.477 1.00 . A A . 5 CYS O 1 1 9 4735 1 1 5 CYS SG S -1.068 5.591 9.833 1.00 . A A . 5 CYS SG 1 1 9 4736 1 1 6 LEU C C -6.357 8.664 6.633 1.00 . A A . 6 LEU C 1 1 9 4737 1 1 6 LEU CA C -6.087 7.220 7.044 1.00 . A A . 6 LEU CA 1 1 9 4738 1 1 6 LEU CB C -7.402 6.435 7.099 1.00 . A A . 6 LEU CB 1 1 9 4739 1 1 6 LEU CD1 C -8.635 4.301 7.551 1.00 . A A . 6 LEU CD1 1 1 9 4740 1 1 6 LEU CD2 C -6.378 4.235 6.480 1.00 . A A . 6 LEU CD2 1 1 9 4741 1 1 6 LEU CG C -7.266 4.960 7.477 1.00 . A A . 6 LEU CG 1 1 9 4742 1 1 6 LEU H H -5.956 6.982 9.134 1.00 . A A . 6 LEU H 1 1 9 4743 1 1 6 LEU HA H -5.448 6.772 6.294 1.00 . A A . 6 LEU HA 1 1 9 4744 1 1 6 LEU HB2 H -8.048 6.913 7.826 1.00 . A A . 6 LEU HB2 1 1 9 4745 1 1 6 LEU HB3 H -7.878 6.495 6.127 1.00 . A A . 6 LEU HB3 1 1 9 4746 1 1 6 LEU HD11 H -9.118 4.351 6.584 1.00 . A A . 6 LEU HD11 1 1 9 4747 1 1 6 LEU HD12 H -9.244 4.813 8.283 1.00 . A A . 6 LEU HD12 1 1 9 4748 1 1 6 LEU HD13 H -8.524 3.266 7.843 1.00 . A A . 6 LEU HD13 1 1 9 4749 1 1 6 LEU HD21 H -5.371 4.617 6.550 1.00 . A A . 6 LEU HD21 1 1 9 4750 1 1 6 LEU HD22 H -6.750 4.390 5.481 1.00 . A A . 6 LEU HD22 1 1 9 4751 1 1 6 LEU HD23 H -6.370 3.175 6.699 1.00 . A A . 6 LEU HD23 1 1 9 4752 1 1 6 LEU HG H -6.807 4.886 8.452 1.00 . A A . 6 LEU HG 1 1 9 4753 1 1 6 LEU N N -5.415 7.156 8.330 1.00 . A A . 6 LEU N 1 1 9 4754 1 1 6 LEU O O -7.501 9.040 6.376 1.00 . A A . 6 LEU O 1 1 9 4755 1 1 7 ASP C C -5.351 10.890 4.604 1.00 . A A . 7 ASP C 1 1 9 4756 1 1 7 ASP CA C -5.435 10.854 6.113 1.00 . A A . 7 ASP CA 1 1 9 4757 1 1 7 ASP CB C -4.356 11.760 6.712 1.00 . A A . 7 ASP CB 1 1 9 4758 1 1 7 ASP CG C -4.566 12.030 8.184 1.00 . A A . 7 ASP CG 1 1 9 4759 1 1 7 ASP H H -4.414 9.134 6.799 1.00 . A A . 7 ASP H 1 1 9 4760 1 1 7 ASP HA H -6.410 11.233 6.406 1.00 . A A . 7 ASP HA 1 1 9 4761 1 1 7 ASP HB2 H -3.393 11.289 6.588 1.00 . A A . 7 ASP HB2 1 1 9 4762 1 1 7 ASP HB3 H -4.353 12.713 6.195 1.00 . A A . 7 ASP HB3 1 1 9 4763 1 1 7 ASP N N -5.308 9.475 6.585 1.00 . A A . 7 ASP N 1 1 9 4764 1 1 7 ASP O O -5.666 11.889 3.964 1.00 . A A . 7 ASP O 1 1 9 4765 1 1 7 ASP OD1 O -5.390 12.907 8.521 1.00 . A A . 7 ASP OD1 1 1 9 4766 1 1 7 ASP OD2 O -3.891 11.384 9.011 1.00 . A A . 7 ASP OD2 1 1 9 4767 1 1 8 LEU C C -6.024 8.935 2.041 1.00 . A A . 8 LEU C 1 1 9 4768 1 1 8 LEU CA C -4.800 9.632 2.605 1.00 . A A . 8 LEU CA 1 1 9 4769 1 1 8 LEU CB C -3.536 8.833 2.244 1.00 . A A . 8 LEU CB 1 1 9 4770 1 1 8 LEU CD1 C -2.117 10.909 2.151 1.00 . A A . 8 LEU CD1 1 1 9 4771 1 1 8 LEU CD2 C -1.942 9.390 4.125 1.00 . A A . 8 LEU CD2 1 1 9 4772 1 1 8 LEU CG C -2.189 9.470 2.626 1.00 . A A . 8 LEU CG 1 1 9 4773 1 1 8 LEU H H -4.706 8.997 4.596 1.00 . A A . 8 LEU H 1 1 9 4774 1 1 8 LEU HA H -4.737 10.613 2.153 1.00 . A A . 8 LEU HA 1 1 9 4775 1 1 8 LEU HB2 H -3.601 7.862 2.717 1.00 . A A . 8 LEU HB2 1 1 9 4776 1 1 8 LEU HB3 H -3.527 8.681 1.172 1.00 . A A . 8 LEU HB3 1 1 9 4777 1 1 8 LEU HD11 H -1.104 11.269 2.251 1.00 . A A . 8 LEU HD11 1 1 9 4778 1 1 8 LEU HD12 H -2.777 11.526 2.747 1.00 . A A . 8 LEU HD12 1 1 9 4779 1 1 8 LEU HD13 H -2.417 10.970 1.117 1.00 . A A . 8 LEU HD13 1 1 9 4780 1 1 8 LEU HD21 H -2.159 8.392 4.482 1.00 . A A . 8 LEU HD21 1 1 9 4781 1 1 8 LEU HD22 H -2.564 10.101 4.648 1.00 . A A . 8 LEU HD22 1 1 9 4782 1 1 8 LEU HD23 H -0.905 9.617 4.324 1.00 . A A . 8 LEU HD23 1 1 9 4783 1 1 8 LEU HG H -1.397 8.925 2.132 1.00 . A A . 8 LEU HG 1 1 9 4784 1 1 8 LEU N N -4.939 9.773 4.046 1.00 . A A . 8 LEU N 1 1 9 4785 1 1 8 LEU O O -5.961 8.323 0.976 1.00 . A A . 8 LEU O 1 1 9 4786 1 1 9 ALA C C -8.845 8.504 1.053 1.00 . A A . 9 ALA C 1 1 9 4787 1 1 9 ALA CA C -8.377 8.340 2.496 1.00 . A A . 9 ALA CA 1 1 9 4788 1 1 9 ALA CB C -9.464 8.794 3.460 1.00 . A A . 9 ALA CB 1 1 9 4789 1 1 9 ALA H H -7.111 9.590 3.587 1.00 . A A . 9 ALA H 1 1 9 4790 1 1 9 ALA HA H -8.190 7.292 2.686 1.00 . A A . 9 ALA HA 1 1 9 4791 1 1 9 ALA HB1 H -9.694 9.836 3.285 1.00 . A A . 9 ALA HB1 1 1 9 4792 1 1 9 ALA HB2 H -9.116 8.671 4.475 1.00 . A A . 9 ALA HB2 1 1 9 4793 1 1 9 ALA HB3 H -10.354 8.198 3.313 1.00 . A A . 9 ALA HB3 1 1 9 4794 1 1 9 ALA N N -7.134 9.067 2.769 1.00 . A A . 9 ALA N 1 1 9 4795 1 1 9 ALA O O -9.713 9.328 0.751 1.00 . A A . 9 ALA O 1 1 9 4796 1 1 10 CYS C C -8.367 9.114 -1.813 1.00 . A A . 10 CYS C 1 1 9 4797 1 1 10 CYS CA C -8.539 7.715 -1.242 1.00 . A A . 10 CYS CA 1 1 9 4798 1 1 10 CYS CB C -9.943 7.176 -1.507 1.00 . A A . 10 CYS CB 1 1 9 4799 1 1 10 CYS H H -7.547 7.102 0.505 1.00 . A A . 10 CYS H 1 1 9 4800 1 1 10 CYS HA H -7.818 7.081 -1.736 1.00 . A A . 10 CYS HA 1 1 9 4801 1 1 10 CYS HB2 H -10.655 7.754 -0.938 1.00 . A A . 10 CYS HB2 1 1 9 4802 1 1 10 CYS HB3 H -10.171 7.271 -2.561 1.00 . A A . 10 CYS HB3 1 1 9 4803 1 1 10 CYS N N -8.248 7.703 0.180 1.00 . A A . 10 CYS N 1 1 9 4804 1 1 10 CYS O O -9.130 9.545 -2.679 1.00 . A A . 10 CYS O 1 1 9 4805 1 1 10 CYS SG S -10.171 5.418 -1.055 1.00 . A A . 10 CYS SG 1 1 9 4806 1 1 11 THR C C -6.176 11.058 -3.041 1.00 . A A . 11 THR C 1 1 9 4807 1 1 11 THR CA C -7.061 11.160 -1.804 1.00 . A A . 11 THR CA 1 1 9 4808 1 1 11 THR CB C -6.366 12.022 -0.728 1.00 . A A . 11 THR CB 1 1 9 4809 1 1 11 THR CG2 C -7.329 12.359 0.401 1.00 . A A . 11 THR CG2 1 1 9 4810 1 1 11 THR H H -6.789 9.444 -0.605 1.00 . A A . 11 THR H 1 1 9 4811 1 1 11 THR HA H -7.989 11.645 -2.093 1.00 . A A . 11 THR HA 1 1 9 4812 1 1 11 THR HB H -6.029 12.954 -1.168 1.00 . A A . 11 THR HB 1 1 9 4813 1 1 11 THR HG1 H -4.600 11.958 0.157 1.00 . A A . 11 THR HG1 1 1 9 4814 1 1 11 THR HG21 H -6.819 12.961 1.139 1.00 . A A . 11 THR HG21 1 1 9 4815 1 1 11 THR HG22 H -7.680 11.447 0.863 1.00 . A A . 11 THR HG22 1 1 9 4816 1 1 11 THR HG23 H -8.171 12.911 0.007 1.00 . A A . 11 THR HG23 1 1 9 4817 1 1 11 THR N N -7.368 9.830 -1.303 1.00 . A A . 11 THR N 1 1 9 4818 1 1 11 THR O O -6.143 11.957 -3.884 1.00 . A A . 11 THR O 1 1 9 4819 1 1 11 THR OG1 O -5.231 11.326 -0.197 1.00 . A A . 11 THR OG1 1 1 9 4820 1 1 12 GLY C C -3.740 8.493 -4.063 1.00 . A A . 12 GLY C 1 1 9 4821 1 1 12 GLY CA C -4.626 9.693 -4.286 1.00 . A A . 12 GLY CA 1 1 9 4822 1 1 12 GLY H H -5.531 9.258 -2.440 1.00 . A A . 12 GLY H 1 1 9 4823 1 1 12 GLY HA2 H -5.255 9.527 -5.151 1.00 . A A . 12 GLY HA2 1 1 9 4824 1 1 12 GLY HA3 H -3.998 10.557 -4.470 1.00 . A A . 12 GLY HA3 1 1 9 4825 1 1 12 GLY N N -5.467 9.946 -3.141 1.00 . A A . 12 GLY N 1 1 9 4826 1 1 12 GLY O O -3.098 8.381 -3.019 1.00 . A A . 12 GLY O 1 1 9 4827 1 1 13 SER C C -1.410 6.790 -4.799 1.00 . A A . 13 SER C 1 1 9 4828 1 1 13 SER CA C -2.878 6.397 -4.931 1.00 . A A . 13 SER CA 1 1 9 4829 1 1 13 SER CB C -3.087 5.505 -6.157 1.00 . A A . 13 SER CB 1 1 9 4830 1 1 13 SER H H -4.258 7.726 -5.838 1.00 . A A . 13 SER H 1 1 9 4831 1 1 13 SER HA H -3.173 5.849 -4.046 1.00 . A A . 13 SER HA 1 1 9 4832 1 1 13 SER HB2 H -2.758 6.027 -7.046 1.00 . A A . 13 SER HB2 1 1 9 4833 1 1 13 SER HB3 H -2.514 4.596 -6.042 1.00 . A A . 13 SER HB3 1 1 9 4834 1 1 13 SER HG H -4.910 5.852 -6.800 1.00 . A A . 13 SER HG 1 1 9 4835 1 1 13 SER N N -3.712 7.586 -5.027 1.00 . A A . 13 SER N 1 1 9 4836 1 1 13 SER O O -0.661 6.182 -4.032 1.00 . A A . 13 SER O 1 1 9 4837 1 1 13 SER OG O -4.456 5.162 -6.310 1.00 . A A . 13 SER OG 1 1 9 4838 1 1 14 LYS C C 0.698 8.787 -4.047 1.00 . A A . 14 LYS C 1 1 9 4839 1 1 14 LYS CA C 0.350 8.342 -5.467 1.00 . A A . 14 LYS CA 1 1 9 4840 1 1 14 LYS CB C 0.527 9.514 -6.431 1.00 . A A . 14 LYS CB 1 1 9 4841 1 1 14 LYS CD C 0.148 11.960 -6.876 1.00 . A A . 14 LYS CD 1 1 9 4842 1 1 14 LYS CE C -0.248 13.278 -6.236 1.00 . A A . 14 LYS CE 1 1 9 4843 1 1 14 LYS CG C -0.107 10.801 -5.935 1.00 . A A . 14 LYS CG 1 1 9 4844 1 1 14 LYS H H -1.668 8.300 -6.102 1.00 . A A . 14 LYS H 1 1 9 4845 1 1 14 LYS HA H 1.005 7.565 -5.755 1.00 . A A . 14 LYS HA 1 1 9 4846 1 1 14 LYS HB2 H 1.585 9.685 -6.574 1.00 . A A . 14 LYS HB2 1 1 9 4847 1 1 14 LYS HB3 H 0.081 9.257 -7.382 1.00 . A A . 14 LYS HB3 1 1 9 4848 1 1 14 LYS HD2 H 1.201 11.999 -7.125 1.00 . A A . 14 LYS HD2 1 1 9 4849 1 1 14 LYS HD3 H -0.433 11.818 -7.775 1.00 . A A . 14 LYS HD3 1 1 9 4850 1 1 14 LYS HE2 H 0.429 13.485 -5.420 1.00 . A A . 14 LYS HE2 1 1 9 4851 1 1 14 LYS HE3 H -0.167 14.061 -6.976 1.00 . A A . 14 LYS HE3 1 1 9 4852 1 1 14 LYS HG2 H -1.172 10.655 -5.845 1.00 . A A . 14 LYS HG2 1 1 9 4853 1 1 14 LYS HG3 H 0.305 11.053 -4.968 1.00 . A A . 14 LYS HG3 1 1 9 4854 1 1 14 LYS HZ1 H -1.710 12.619 -4.897 1.00 . A A . 14 LYS HZ1 1 1 9 4855 1 1 14 LYS HZ2 H -2.302 12.924 -6.447 1.00 . A A . 14 LYS HZ2 1 1 9 4856 1 1 14 LYS HZ3 H -1.923 14.206 -5.416 1.00 . A A . 14 LYS HZ3 1 1 9 4857 1 1 14 LYS N N -1.017 7.837 -5.523 1.00 . A A . 14 LYS N 1 1 9 4858 1 1 14 LYS NZ N -1.640 13.250 -5.712 1.00 . A A . 14 LYS NZ 1 1 9 4859 1 1 14 LYS O O 1.862 8.764 -3.644 1.00 . A A . 14 LYS O 1 1 9 4860 1 1 15 ASP C C -0.113 8.443 -0.997 1.00 . A A . 15 ASP C 1 1 9 4861 1 1 15 ASP CA C -0.143 9.640 -1.930 1.00 . A A . 15 ASP CA 1 1 9 4862 1 1 15 ASP CB C -1.259 10.609 -1.521 1.00 . A A . 15 ASP CB 1 1 9 4863 1 1 15 ASP CG C -1.227 11.903 -2.310 1.00 . A A . 15 ASP CG 1 1 9 4864 1 1 15 ASP H H -1.224 9.207 -3.673 1.00 . A A . 15 ASP H 1 1 9 4865 1 1 15 ASP HA H 0.810 10.154 -1.855 1.00 . A A . 15 ASP HA 1 1 9 4866 1 1 15 ASP HB2 H -2.216 10.142 -1.668 1.00 . A A . 15 ASP HB2 1 1 9 4867 1 1 15 ASP HB3 H -1.142 10.857 -0.478 1.00 . A A . 15 ASP HB3 1 1 9 4868 1 1 15 ASP N N -0.322 9.194 -3.301 1.00 . A A . 15 ASP N 1 1 9 4869 1 1 15 ASP O O 0.644 8.421 -0.033 1.00 . A A . 15 ASP O 1 1 9 4870 1 1 15 ASP OD1 O -0.505 12.837 -1.901 1.00 . A A . 15 ASP OD1 1 1 9 4871 1 1 15 ASP OD2 O -1.924 11.997 -3.345 1.00 . A A . 15 ASP OD2 1 1 9 4872 1 1 16 CYS C C 0.403 5.480 -0.641 1.00 . A A . 16 CYS C 1 1 9 4873 1 1 16 CYS CA C -0.948 6.187 -0.548 1.00 . A A . 16 CYS CA 1 1 9 4874 1 1 16 CYS CB C -2.047 5.254 -1.067 1.00 . A A . 16 CYS CB 1 1 9 4875 1 1 16 CYS H H -1.514 7.512 -2.097 1.00 . A A . 16 CYS H 1 1 9 4876 1 1 16 CYS HA H -1.149 6.421 0.489 1.00 . A A . 16 CYS HA 1 1 9 4877 1 1 16 CYS HB2 H -1.877 5.090 -2.123 1.00 . A A . 16 CYS HB2 1 1 9 4878 1 1 16 CYS HB3 H -1.978 4.318 -0.569 1.00 . A A . 16 CYS HB3 1 1 9 4879 1 1 16 CYS N N -0.933 7.438 -1.304 1.00 . A A . 16 CYS N 1 1 9 4880 1 1 16 CYS O O 0.808 4.762 0.282 1.00 . A A . 16 CYS O 1 1 9 4881 1 1 16 CYS SG S -3.742 5.902 -0.905 1.00 . A A . 16 CYS SG 1 1 9 4882 1 1 17 TYR C C 3.390 5.442 -0.869 1.00 . A A . 17 TYR C 1 1 9 4883 1 1 17 TYR CA C 2.406 5.095 -1.990 1.00 . A A . 17 TYR CA 1 1 9 4884 1 1 17 TYR CB C 2.986 5.543 -3.341 1.00 . A A . 17 TYR CB 1 1 9 4885 1 1 17 TYR CD1 C 1.374 3.952 -4.485 1.00 . A A . 17 TYR CD1 1 1 9 4886 1 1 17 TYR CD2 C 2.360 5.685 -5.788 1.00 . A A . 17 TYR CD2 1 1 9 4887 1 1 17 TYR CE1 C 0.686 3.503 -5.594 1.00 . A A . 17 TYR CE1 1 1 9 4888 1 1 17 TYR CE2 C 1.673 5.241 -6.902 1.00 . A A . 17 TYR CE2 1 1 9 4889 1 1 17 TYR CG C 2.223 5.051 -4.558 1.00 . A A . 17 TYR CG 1 1 9 4890 1 1 17 TYR CZ C 0.838 4.149 -6.799 1.00 . A A . 17 TYR CZ 1 1 9 4891 1 1 17 TYR H H 0.716 6.270 -2.464 1.00 . A A . 17 TYR H 1 1 9 4892 1 1 17 TYR HA H 2.285 4.039 -1.985 1.00 . A A . 17 TYR HA 1 1 9 4893 1 1 17 TYR HB2 H 2.978 6.621 -3.366 1.00 . A A . 17 TYR HB2 1 1 9 4894 1 1 17 TYR HB3 H 4.001 5.214 -3.430 1.00 . A A . 17 TYR HB3 1 1 9 4895 1 1 17 TYR HD1 H 1.225 3.445 -3.558 1.00 . A A . 17 TYR HD1 1 1 9 4896 1 1 17 TYR HD2 H 3.015 6.541 -5.871 1.00 . A A . 17 TYR HD2 1 1 9 4897 1 1 17 TYR HE1 H 0.033 2.656 -5.523 1.00 . A A . 17 TYR HE1 1 1 9 4898 1 1 17 TYR HE2 H 1.793 5.749 -7.848 1.00 . A A . 17 TYR HE2 1 1 9 4899 1 1 17 TYR HH H -0.685 4.178 -7.974 1.00 . A A . 17 TYR HH 1 1 9 4900 1 1 17 TYR N N 1.093 5.693 -1.761 1.00 . A A . 17 TYR N 1 1 9 4901 1 1 17 TYR O O 4.244 4.629 -0.515 1.00 . A A . 17 TYR O 1 1 9 4902 1 1 17 TYR OH O 0.147 3.704 -7.904 1.00 . A A . 17 TYR OH 1 1 9 4903 1 1 18 ALA C C 4.063 6.283 2.025 1.00 . A A . 18 ALA C 1 1 9 4904 1 1 18 ALA CA C 4.194 7.098 0.724 1.00 . A A . 18 ALA CA 1 1 9 4905 1 1 18 ALA CB C 4.035 8.593 0.977 1.00 . A A . 18 ALA CB 1 1 9 4906 1 1 18 ALA H H 2.558 7.252 -0.615 1.00 . A A . 18 ALA H 1 1 9 4907 1 1 18 ALA HA H 5.198 6.947 0.340 1.00 . A A . 18 ALA HA 1 1 9 4908 1 1 18 ALA HB1 H 4.801 9.124 0.431 1.00 . A A . 18 ALA HB1 1 1 9 4909 1 1 18 ALA HB2 H 4.139 8.815 2.032 1.00 . A A . 18 ALA HB2 1 1 9 4910 1 1 18 ALA HB3 H 3.066 8.930 0.637 1.00 . A A . 18 ALA HB3 1 1 9 4911 1 1 18 ALA N N 3.263 6.639 -0.303 1.00 . A A . 18 ALA N 1 1 9 4912 1 1 18 ALA O O 5.044 5.678 2.465 1.00 . A A . 18 ALA O 1 1 9 4913 1 1 19 PRO C C 2.919 3.933 3.589 1.00 . A A . 19 PRO C 1 1 9 4914 1 1 19 PRO CA C 2.662 5.411 3.864 1.00 . A A . 19 PRO CA 1 1 9 4915 1 1 19 PRO CB C 1.189 5.632 4.223 1.00 . A A . 19 PRO CB 1 1 9 4916 1 1 19 PRO CD C 1.648 6.987 2.320 1.00 . A A . 19 PRO CD 1 1 9 4917 1 1 19 PRO CG C 0.831 6.922 3.576 1.00 . A A . 19 PRO CG 1 1 9 4918 1 1 19 PRO HA H 3.288 5.737 4.682 1.00 . A A . 19 PRO HA 1 1 9 4919 1 1 19 PRO HB2 H 0.574 4.824 3.843 1.00 . A A . 19 PRO HB2 1 1 9 4920 1 1 19 PRO HB3 H 1.085 5.693 5.296 1.00 . A A . 19 PRO HB3 1 1 9 4921 1 1 19 PRO HD2 H 1.124 6.537 1.521 1.00 . A A . 19 PRO HD2 1 1 9 4922 1 1 19 PRO HD3 H 1.866 8.009 2.097 1.00 . A A . 19 PRO HD3 1 1 9 4923 1 1 19 PRO HG2 H -0.223 6.936 3.340 1.00 . A A . 19 PRO HG2 1 1 9 4924 1 1 19 PRO HG3 H 1.082 7.744 4.230 1.00 . A A . 19 PRO HG3 1 1 9 4925 1 1 19 PRO N N 2.868 6.238 2.668 1.00 . A A . 19 PRO N 1 1 9 4926 1 1 19 PRO O O 3.458 3.221 4.439 1.00 . A A . 19 PRO O 1 1 9 4927 1 1 20 CYS C C 4.245 1.760 2.023 1.00 . A A . 20 CYS C 1 1 9 4928 1 1 20 CYS CA C 2.756 2.092 2.006 1.00 . A A . 20 CYS CA 1 1 9 4929 1 1 20 CYS CB C 2.172 1.827 0.620 1.00 . A A . 20 CYS CB 1 1 9 4930 1 1 20 CYS H H 2.114 4.095 1.753 1.00 . A A . 20 CYS H 1 1 9 4931 1 1 20 CYS HA H 2.251 1.460 2.725 1.00 . A A . 20 CYS HA 1 1 9 4932 1 1 20 CYS HB2 H 1.127 2.100 0.622 1.00 . A A . 20 CYS HB2 1 1 9 4933 1 1 20 CYS HB3 H 2.693 2.430 -0.111 1.00 . A A . 20 CYS HB3 1 1 9 4934 1 1 20 CYS N N 2.539 3.480 2.396 1.00 . A A . 20 CYS N 1 1 9 4935 1 1 20 CYS O O 4.661 0.742 2.584 1.00 . A A . 20 CYS O 1 1 9 4936 1 1 20 CYS SG S 2.284 0.090 0.090 1.00 . A A . 20 CYS SG 1 1 9 4937 1 1 21 ARG C C 7.032 2.511 2.838 1.00 . A A . 21 ARG C 1 1 9 4938 1 1 21 ARG CA C 6.493 2.479 1.413 1.00 . A A . 21 ARG CA 1 1 9 4939 1 1 21 ARG CB C 7.128 3.589 0.557 1.00 . A A . 21 ARG CB 1 1 9 4940 1 1 21 ARG CD C 9.437 3.978 1.538 1.00 . A A . 21 ARG CD 1 1 9 4941 1 1 21 ARG CG C 8.637 3.465 0.348 1.00 . A A . 21 ARG CG 1 1 9 4942 1 1 21 ARG CZ C 9.622 6.030 2.895 1.00 . A A . 21 ARG CZ 1 1 9 4943 1 1 21 ARG H H 4.652 3.446 1.014 1.00 . A A . 21 ARG H 1 1 9 4944 1 1 21 ARG HA H 6.724 1.518 0.972 1.00 . A A . 21 ARG HA 1 1 9 4945 1 1 21 ARG HB2 H 6.664 3.558 -0.418 1.00 . A A . 21 ARG HB2 1 1 9 4946 1 1 21 ARG HB3 H 6.902 4.543 1.005 1.00 . A A . 21 ARG HB3 1 1 9 4947 1 1 21 ARG HD2 H 9.282 3.355 2.390 1.00 . A A . 21 ARG HD2 1 1 9 4948 1 1 21 ARG HD3 H 10.483 3.942 1.273 1.00 . A A . 21 ARG HD3 1 1 9 4949 1 1 21 ARG HE H 8.452 5.831 1.298 1.00 . A A . 21 ARG HE 1 1 9 4950 1 1 21 ARG HG2 H 8.886 2.441 0.184 1.00 . A A . 21 ARG HG2 1 1 9 4951 1 1 21 ARG HG3 H 8.910 4.041 -0.524 1.00 . A A . 21 ARG HG3 1 1 9 4952 1 1 21 ARG HH11 H 10.838 4.524 3.519 1.00 . A A . 21 ARG HH11 1 1 9 4953 1 1 21 ARG HH12 H 10.914 5.975 4.449 1.00 . A A . 21 ARG HH12 1 1 9 4954 1 1 21 ARG HH21 H 8.544 7.707 2.547 1.00 . A A . 21 ARG HH21 1 1 9 4955 1 1 21 ARG HH22 H 9.617 7.783 3.905 1.00 . A A . 21 ARG HH22 1 1 9 4956 1 1 21 ARG N N 5.045 2.641 1.429 1.00 . A A . 21 ARG N 1 1 9 4957 1 1 21 ARG NE N 9.101 5.362 1.870 1.00 . A A . 21 ARG NE 1 1 9 4958 1 1 21 ARG NH1 N 10.529 5.460 3.680 1.00 . A A . 21 ARG NH1 1 1 9 4959 1 1 21 ARG NH2 N 9.230 7.272 3.135 1.00 . A A . 21 ARG NH2 1 1 9 4960 1 1 21 ARG O O 7.870 1.694 3.211 1.00 . A A . 21 ARG O 1 1 9 4961 1 1 22 LYS C C 6.546 2.352 5.836 1.00 . A A . 22 LYS C 1 1 9 4962 1 1 22 LYS CA C 6.948 3.586 5.021 1.00 . A A . 22 LYS CA 1 1 9 4963 1 1 22 LYS CB C 6.337 4.854 5.632 1.00 . A A . 22 LYS CB 1 1 9 4964 1 1 22 LYS CD C 8.364 5.467 6.982 1.00 . A A . 22 LYS CD 1 1 9 4965 1 1 22 LYS CE C 8.917 5.723 8.373 1.00 . A A . 22 LYS CE 1 1 9 4966 1 1 22 LYS CG C 6.870 5.195 7.016 1.00 . A A . 22 LYS CG 1 1 9 4967 1 1 22 LYS H H 5.848 4.069 3.277 1.00 . A A . 22 LYS H 1 1 9 4968 1 1 22 LYS HA H 8.023 3.668 5.026 1.00 . A A . 22 LYS HA 1 1 9 4969 1 1 22 LYS HB2 H 6.542 5.688 4.975 1.00 . A A . 22 LYS HB2 1 1 9 4970 1 1 22 LYS HB3 H 5.265 4.729 5.705 1.00 . A A . 22 LYS HB3 1 1 9 4971 1 1 22 LYS HD2 H 8.882 4.616 6.573 1.00 . A A . 22 LYS HD2 1 1 9 4972 1 1 22 LYS HD3 H 8.550 6.336 6.368 1.00 . A A . 22 LYS HD3 1 1 9 4973 1 1 22 LYS HE2 H 8.437 6.599 8.785 1.00 . A A . 22 LYS HE2 1 1 9 4974 1 1 22 LYS HE3 H 8.703 4.868 9.000 1.00 . A A . 22 LYS HE3 1 1 9 4975 1 1 22 LYS HG2 H 6.362 6.079 7.375 1.00 . A A . 22 LYS HG2 1 1 9 4976 1 1 22 LYS HG3 H 6.671 4.370 7.684 1.00 . A A . 22 LYS HG3 1 1 9 4977 1 1 22 LYS HZ1 H 10.620 6.774 7.764 1.00 . A A . 22 LYS HZ1 1 1 9 4978 1 1 22 LYS HZ2 H 10.876 5.112 7.968 1.00 . A A . 22 LYS HZ2 1 1 9 4979 1 1 22 LYS HZ3 H 10.732 6.118 9.319 1.00 . A A . 22 LYS HZ3 1 1 9 4980 1 1 22 LYS N N 6.528 3.448 3.631 1.00 . A A . 22 LYS N 1 1 9 4981 1 1 22 LYS NZ N 10.387 5.947 8.353 1.00 . A A . 22 LYS NZ 1 1 9 4982 1 1 22 LYS O O 7.108 2.077 6.899 1.00 . A A . 22 LYS O 1 1 9 4983 1 1 23 GLN C C 5.898 -0.832 5.524 1.00 . A A . 23 GLN C 1 1 9 4984 1 1 23 GLN CA C 5.125 0.397 6.006 1.00 . A A . 23 GLN CA 1 1 9 4985 1 1 23 GLN CB C 3.623 0.188 5.810 1.00 . A A . 23 GLN CB 1 1 9 4986 1 1 23 GLN CD C 1.594 -1.092 6.591 1.00 . A A . 23 GLN CD 1 1 9 4987 1 1 23 GLN CG C 3.101 -1.092 6.444 1.00 . A A . 23 GLN CG 1 1 9 4988 1 1 23 GLN H H 5.121 1.868 4.511 1.00 . A A . 23 GLN H 1 1 9 4989 1 1 23 GLN HA H 5.307 0.496 7.055 1.00 . A A . 23 GLN HA 1 1 9 4990 1 1 23 GLN HB2 H 3.107 1.033 6.246 1.00 . A A . 23 GLN HB2 1 1 9 4991 1 1 23 GLN HB3 H 3.409 0.156 4.752 1.00 . A A . 23 GLN HB3 1 1 9 4992 1 1 23 GLN HE21 H 1.524 -3.072 6.347 1.00 . A A . 23 GLN HE21 1 1 9 4993 1 1 23 GLN HE22 H 0.011 -2.278 6.595 1.00 . A A . 23 GLN HE22 1 1 9 4994 1 1 23 GLN HG2 H 3.384 -1.923 5.813 1.00 . A A . 23 GLN HG2 1 1 9 4995 1 1 23 GLN HG3 H 3.544 -1.222 7.411 1.00 . A A . 23 GLN HG3 1 1 9 4996 1 1 23 GLN N N 5.561 1.614 5.342 1.00 . A A . 23 GLN N 1 1 9 4997 1 1 23 GLN NE2 N 0.986 -2.263 6.502 1.00 . A A . 23 GLN NE2 1 1 9 4998 1 1 23 GLN O O 6.652 -1.430 6.290 1.00 . A A . 23 GLN O 1 1 9 4999 1 1 23 GLN OE1 O 0.985 -0.043 6.785 1.00 . A A . 23 GLN OE1 1 1 9 5000 1 1 24 THR C C 7.522 -2.293 2.940 1.00 . A A . 24 THR C 1 1 9 5001 1 1 24 THR CA C 6.250 -2.478 3.779 1.00 . A A . 24 THR CA 1 1 9 5002 1 1 24 THR CB C 5.174 -3.246 2.966 1.00 . A A . 24 THR CB 1 1 9 5003 1 1 24 THR CG2 C 4.868 -2.540 1.654 1.00 . A A . 24 THR CG2 1 1 9 5004 1 1 24 THR H H 5.120 -0.688 3.685 1.00 . A A . 24 THR H 1 1 9 5005 1 1 24 THR HA H 6.511 -3.093 4.632 1.00 . A A . 24 THR HA 1 1 9 5006 1 1 24 THR HB H 4.261 -3.286 3.544 1.00 . A A . 24 THR HB 1 1 9 5007 1 1 24 THR HG1 H 5.479 -5.128 3.486 1.00 . A A . 24 THR HG1 1 1 9 5008 1 1 24 THR HG21 H 5.469 -2.969 0.867 1.00 . A A . 24 THR HG21 1 1 9 5009 1 1 24 THR HG22 H 5.080 -1.485 1.725 1.00 . A A . 24 THR HG22 1 1 9 5010 1 1 24 THR HG23 H 3.824 -2.676 1.414 1.00 . A A . 24 THR HG23 1 1 9 5011 1 1 24 THR N N 5.723 -1.206 4.264 1.00 . A A . 24 THR N 1 1 9 5012 1 1 24 THR O O 8.150 -3.268 2.526 1.00 . A A . 24 THR O 1 1 9 5013 1 1 24 THR OG1 O 5.599 -4.590 2.699 1.00 . A A . 24 THR OG1 1 1 9 5014 1 1 25 GLY C C 8.767 -0.466 0.468 1.00 . A A . 25 GLY C 1 1 9 5015 1 1 25 GLY CA C 9.101 -0.784 1.911 1.00 . A A . 25 GLY CA 1 1 9 5016 1 1 25 GLY H H 7.405 -0.287 3.050 1.00 . A A . 25 GLY H 1 1 9 5017 1 1 25 GLY HA2 H 9.610 0.068 2.338 1.00 . A A . 25 GLY HA2 1 1 9 5018 1 1 25 GLY HA3 H 9.775 -1.632 1.936 1.00 . A A . 25 GLY HA3 1 1 9 5019 1 1 25 GLY N N 7.913 -1.048 2.702 1.00 . A A . 25 GLY N 1 1 9 5020 1 1 25 GLY O O 9.382 0.407 -0.145 1.00 . A A . 25 GLY O 1 1 9 5021 1 1 26 CYS C C 6.115 -0.012 -1.394 1.00 . A A . 26 CYS C 1 1 9 5022 1 1 26 CYS CA C 7.316 -0.948 -1.424 1.00 . A A . 26 CYS CA 1 1 9 5023 1 1 26 CYS CB C 6.938 -2.277 -2.082 1.00 . A A . 26 CYS CB 1 1 9 5024 1 1 26 CYS H H 7.329 -1.852 0.466 1.00 . A A . 26 CYS H 1 1 9 5025 1 1 26 CYS HA H 8.122 -0.503 -1.988 1.00 . A A . 26 CYS HA 1 1 9 5026 1 1 26 CYS HB2 H 6.234 -2.781 -1.443 1.00 . A A . 26 CYS HB2 1 1 9 5027 1 1 26 CYS HB3 H 6.473 -2.086 -3.041 1.00 . A A . 26 CYS HB3 1 1 9 5028 1 1 26 CYS N N 7.787 -1.172 -0.065 1.00 . A A . 26 CYS N 1 1 9 5029 1 1 26 CYS O O 5.258 -0.134 -0.526 1.00 . A A . 26 CYS O 1 1 9 5030 1 1 26 CYS SG S 8.347 -3.406 -2.369 1.00 . A A . 26 CYS SG 1 1 9 5031 1 1 27 PRO C C 3.682 1.519 -2.938 1.00 . A A . 27 PRO C 1 1 9 5032 1 1 27 PRO CA C 5.007 1.974 -2.327 1.00 . A A . 27 PRO CA 1 1 9 5033 1 1 27 PRO CB C 5.634 3.079 -3.174 1.00 . A A . 27 PRO CB 1 1 9 5034 1 1 27 PRO CD C 6.979 1.107 -3.464 1.00 . A A . 27 PRO CD 1 1 9 5035 1 1 27 PRO CG C 6.497 2.359 -4.154 1.00 . A A . 27 PRO CG 1 1 9 5036 1 1 27 PRO HA H 4.825 2.352 -1.330 1.00 . A A . 27 PRO HA 1 1 9 5037 1 1 27 PRO HB2 H 4.874 3.641 -3.681 1.00 . A A . 27 PRO HB2 1 1 9 5038 1 1 27 PRO HB3 H 6.218 3.734 -2.548 1.00 . A A . 27 PRO HB3 1 1 9 5039 1 1 27 PRO HD2 H 6.924 0.262 -4.134 1.00 . A A . 27 PRO HD2 1 1 9 5040 1 1 27 PRO HD3 H 7.990 1.247 -3.113 1.00 . A A . 27 PRO HD3 1 1 9 5041 1 1 27 PRO HG2 H 5.920 2.103 -5.030 1.00 . A A . 27 PRO HG2 1 1 9 5042 1 1 27 PRO HG3 H 7.337 2.981 -4.428 1.00 . A A . 27 PRO HG3 1 1 9 5043 1 1 27 PRO N N 6.045 0.943 -2.332 1.00 . A A . 27 PRO N 1 1 9 5044 1 1 27 PRO O O 2.653 2.140 -2.703 1.00 . A A . 27 PRO O 1 1 9 5045 1 1 28 ASN C C 1.331 -0.306 -3.560 1.00 . A A . 28 ASN C 1 1 9 5046 1 1 28 ASN CA C 2.535 -0.015 -4.461 1.00 . A A . 28 ASN CA 1 1 9 5047 1 1 28 ASN CB C 2.877 -1.255 -5.286 1.00 . A A . 28 ASN CB 1 1 9 5048 1 1 28 ASN CG C 3.755 -0.938 -6.482 1.00 . A A . 28 ASN CG 1 1 9 5049 1 1 28 ASN H H 4.559 -0.036 -3.851 1.00 . A A . 28 ASN H 1 1 9 5050 1 1 28 ASN HA H 2.267 0.786 -5.142 1.00 . A A . 28 ASN HA 1 1 9 5051 1 1 28 ASN HB2 H 3.392 -1.966 -4.657 1.00 . A A . 28 ASN HB2 1 1 9 5052 1 1 28 ASN HB3 H 1.973 -1.706 -5.660 1.00 . A A . 28 ASN HB3 1 1 9 5053 1 1 28 ASN HD21 H 4.647 -2.721 -6.344 1.00 . A A . 28 ASN HD21 1 1 9 5054 1 1 28 ASN HD22 H 5.190 -1.691 -7.620 1.00 . A A . 28 ASN HD22 1 1 9 5055 1 1 28 ASN N N 3.709 0.433 -3.704 1.00 . A A . 28 ASN N 1 1 9 5056 1 1 28 ASN ND2 N 4.614 -1.877 -6.849 1.00 . A A . 28 ASN ND2 1 1 9 5057 1 1 28 ASN O O 1.280 -1.335 -2.878 1.00 . A A . 28 ASN O 1 1 9 5058 1 1 28 ASN OD1 O 3.671 0.145 -7.068 1.00 . A A . 28 ASN OD1 1 1 9 5059 1 1 29 ALA C C -2.065 1.042 -3.510 1.00 . A A . 29 ALA C 1 1 9 5060 1 1 29 ALA CA C -0.856 0.462 -2.785 1.00 . A A . 29 ALA CA 1 1 9 5061 1 1 29 ALA CB C -0.686 1.151 -1.440 1.00 . A A . 29 ALA CB 1 1 9 5062 1 1 29 ALA H H 0.448 1.379 -4.147 1.00 . A A . 29 ALA H 1 1 9 5063 1 1 29 ALA HA H -1.041 -0.586 -2.611 1.00 . A A . 29 ALA HA 1 1 9 5064 1 1 29 ALA HB1 H -0.709 0.416 -0.655 1.00 . A A . 29 ALA HB1 1 1 9 5065 1 1 29 ALA HB2 H -1.482 1.866 -1.271 1.00 . A A . 29 ALA HB2 1 1 9 5066 1 1 29 ALA HB3 H 0.262 1.670 -1.408 1.00 . A A . 29 ALA HB3 1 1 9 5067 1 1 29 ALA N N 0.353 0.600 -3.585 1.00 . A A . 29 ALA N 1 1 9 5068 1 1 29 ALA O O -1.928 1.916 -4.363 1.00 . A A . 29 ALA O 1 1 9 5069 1 1 30 LYS C C -5.470 1.341 -2.581 1.00 . A A . 30 LYS C 1 1 9 5070 1 1 30 LYS CA C -4.497 1.032 -3.711 1.00 . A A . 30 LYS CA 1 1 9 5071 1 1 30 LYS CB C -5.109 -0.023 -4.635 1.00 . A A . 30 LYS CB 1 1 9 5072 1 1 30 LYS CD C -7.162 -0.796 -5.879 1.00 . A A . 30 LYS CD 1 1 9 5073 1 1 30 LYS CE C -6.457 -1.183 -7.167 1.00 . A A . 30 LYS CE 1 1 9 5074 1 1 30 LYS CG C -6.477 0.364 -5.175 1.00 . A A . 30 LYS CG 1 1 9 5075 1 1 30 LYS H H -3.276 -0.151 -2.460 1.00 . A A . 30 LYS H 1 1 9 5076 1 1 30 LYS HA H -4.317 1.938 -4.280 1.00 . A A . 30 LYS HA 1 1 9 5077 1 1 30 LYS HB2 H -4.457 -0.155 -5.462 1.00 . A A . 30 LYS HB2 1 1 9 5078 1 1 30 LYS HB3 H -5.197 -0.955 -4.094 1.00 . A A . 30 LYS HB3 1 1 9 5079 1 1 30 LYS HD2 H -7.180 -1.653 -5.220 1.00 . A A . 30 LYS HD2 1 1 9 5080 1 1 30 LYS HD3 H -8.176 -0.506 -6.113 1.00 . A A . 30 LYS HD3 1 1 9 5081 1 1 30 LYS HE2 H -5.462 -1.498 -6.939 1.00 . A A . 30 LYS HE2 1 1 9 5082 1 1 30 LYS HE3 H -6.993 -2.008 -7.612 1.00 . A A . 30 LYS HE3 1 1 9 5083 1 1 30 LYS HG2 H -7.116 0.672 -4.361 1.00 . A A . 30 LYS HG2 1 1 9 5084 1 1 30 LYS HG3 H -6.364 1.185 -5.866 1.00 . A A . 30 LYS HG3 1 1 9 5085 1 1 30 LYS HZ1 H -5.741 0.663 -7.833 1.00 . A A . 30 LYS HZ1 1 1 9 5086 1 1 30 LYS HZ2 H -7.361 0.379 -8.238 1.00 . A A . 30 LYS HZ2 1 1 9 5087 1 1 30 LYS HZ3 H -6.125 -0.414 -9.075 1.00 . A A . 30 LYS HZ3 1 1 9 5088 1 1 30 LYS N N -3.240 0.549 -3.152 1.00 . A A . 30 LYS N 1 1 9 5089 1 1 30 LYS NZ N -6.420 -0.060 -8.142 1.00 . A A . 30 LYS NZ 1 1 9 5090 1 1 30 LYS O O -5.574 0.574 -1.622 1.00 . A A . 30 LYS O 1 1 9 5091 1 1 31 CYS C C -8.470 2.105 -1.890 1.00 . A A . 31 CYS C 1 1 9 5092 1 1 31 CYS CA C -7.145 2.812 -1.661 1.00 . A A . 31 CYS CA 1 1 9 5093 1 1 31 CYS CB C -7.371 4.322 -1.618 1.00 . A A . 31 CYS CB 1 1 9 5094 1 1 31 CYS H H -6.077 3.028 -3.479 1.00 . A A . 31 CYS H 1 1 9 5095 1 1 31 CYS HA H -6.746 2.511 -0.712 1.00 . A A . 31 CYS HA 1 1 9 5096 1 1 31 CYS HB2 H -6.415 4.813 -1.523 1.00 . A A . 31 CYS HB2 1 1 9 5097 1 1 31 CYS HB3 H -7.843 4.645 -2.535 1.00 . A A . 31 CYS HB3 1 1 9 5098 1 1 31 CYS N N -6.186 2.447 -2.688 1.00 . A A . 31 CYS N 1 1 9 5099 1 1 31 CYS O O -9.149 2.332 -2.892 1.00 . A A . 31 CYS O 1 1 9 5100 1 1 31 CYS SG S -8.406 4.855 -0.213 1.00 . A A . 31 CYS SG 1 1 9 5101 1 1 32 ILE C C -10.713 0.610 0.404 1.00 . A A . 32 ILE C 1 1 9 5102 1 1 32 ILE CA C -10.090 0.543 -0.981 1.00 . A A . 32 ILE CA 1 1 9 5103 1 1 32 ILE CB C -9.957 -0.929 -1.458 1.00 . A A . 32 ILE CB 1 1 9 5104 1 1 32 ILE CD1 C -8.663 -1.945 0.519 1.00 . A A . 32 ILE CD1 1 1 9 5105 1 1 32 ILE CG1 C -8.657 -1.580 -0.952 1.00 . A A . 32 ILE CG1 1 1 9 5106 1 1 32 ILE CG2 C -10.023 -0.996 -2.976 1.00 . A A . 32 ILE CG2 1 1 9 5107 1 1 32 ILE H H -8.216 1.082 -0.196 1.00 . A A . 32 ILE H 1 1 9 5108 1 1 32 ILE HA H -10.759 1.067 -1.663 1.00 . A A . 32 ILE HA 1 1 9 5109 1 1 32 ILE HB H -10.803 -1.494 -1.082 1.00 . A A . 32 ILE HB 1 1 9 5110 1 1 32 ILE HD11 H -8.044 -2.817 0.671 1.00 . A A . 32 ILE HD11 1 1 9 5111 1 1 32 ILE HD12 H -9.671 -2.162 0.849 1.00 . A A . 32 ILE HD12 1 1 9 5112 1 1 32 ILE HD13 H -8.265 -1.123 1.094 1.00 . A A . 32 ILE HD13 1 1 9 5113 1 1 32 ILE HG12 H -8.492 -2.502 -1.495 1.00 . A A . 32 ILE HG12 1 1 9 5114 1 1 32 ILE HG13 H -7.817 -0.927 -1.130 1.00 . A A . 32 ILE HG13 1 1 9 5115 1 1 32 ILE HG21 H -10.956 -0.569 -3.317 1.00 . A A . 32 ILE HG21 1 1 9 5116 1 1 32 ILE HG22 H -9.965 -2.027 -3.297 1.00 . A A . 32 ILE HG22 1 1 9 5117 1 1 32 ILE HG23 H -9.198 -0.441 -3.401 1.00 . A A . 32 ILE HG23 1 1 9 5118 1 1 32 ILE N N -8.816 1.234 -0.963 1.00 . A A . 32 ILE N 1 1 9 5119 1 1 32 ILE O O -9.996 0.582 1.406 1.00 . A A . 32 ILE O 1 1 9 5120 1 1 33 ASN C C -12.162 2.074 2.515 1.00 . A A . 33 ASN C 1 1 9 5121 1 1 33 ASN CA C -12.750 0.902 1.721 1.00 . A A . 33 ASN CA 1 1 9 5122 1 1 33 ASN CB C -12.678 -0.400 2.533 1.00 . A A . 33 ASN CB 1 1 9 5123 1 1 33 ASN CG C -13.744 -0.493 3.613 1.00 . A A . 33 ASN CG 1 1 9 5124 1 1 33 ASN H H -12.550 0.807 -0.381 1.00 . A A . 33 ASN H 1 1 9 5125 1 1 33 ASN HA H -13.782 1.125 1.486 1.00 . A A . 33 ASN HA 1 1 9 5126 1 1 33 ASN HB2 H -12.817 -1.236 1.862 1.00 . A A . 33 ASN HB2 1 1 9 5127 1 1 33 ASN HB3 H -11.703 -0.487 2.998 1.00 . A A . 33 ASN HB3 1 1 9 5128 1 1 33 ASN HD21 H -12.532 0.358 4.949 1.00 . A A . 33 ASN HD21 1 1 9 5129 1 1 33 ASN HD22 H -14.105 -0.079 5.512 1.00 . A A . 33 ASN HD22 1 1 9 5130 1 1 33 ASN N N -12.034 0.752 0.455 1.00 . A A . 33 ASN N 1 1 9 5131 1 1 33 ASN ND2 N -13.427 -0.025 4.807 1.00 . A A . 33 ASN ND2 1 1 9 5132 1 1 33 ASN O O -12.006 2.005 3.733 1.00 . A A . 33 ASN O 1 1 9 5133 1 1 33 ASN OD1 O -14.843 -0.988 3.372 1.00 . A A . 33 ASN OD1 1 1 9 5134 1 1 34 LYS C C -9.898 4.081 3.080 1.00 . A A . 34 LYS C 1 1 9 5135 1 1 34 LYS CA C -11.240 4.354 2.391 1.00 . A A . 34 LYS CA 1 1 9 5136 1 1 34 LYS CB C -12.227 4.978 3.384 1.00 . A A . 34 LYS CB 1 1 9 5137 1 1 34 LYS CD C -14.542 5.853 3.799 1.00 . A A . 34 LYS CD 1 1 9 5138 1 1 34 LYS CE C -15.858 6.282 3.169 1.00 . A A . 34 LYS CE 1 1 9 5139 1 1 34 LYS CG C -13.539 5.409 2.749 1.00 . A A . 34 LYS CG 1 1 9 5140 1 1 34 LYS H H -11.939 3.136 0.820 1.00 . A A . 34 LYS H 1 1 9 5141 1 1 34 LYS HA H -11.071 5.057 1.598 1.00 . A A . 34 LYS HA 1 1 9 5142 1 1 34 LYS HB2 H -12.438 4.268 4.168 1.00 . A A . 34 LYS HB2 1 1 9 5143 1 1 34 LYS HB3 H -11.771 5.855 3.826 1.00 . A A . 34 LYS HB3 1 1 9 5144 1 1 34 LYS HD2 H -14.733 5.032 4.475 1.00 . A A . 34 LYS HD2 1 1 9 5145 1 1 34 LYS HD3 H -14.131 6.688 4.350 1.00 . A A . 34 LYS HD3 1 1 9 5146 1 1 34 LYS HE2 H -15.691 7.180 2.594 1.00 . A A . 34 LYS HE2 1 1 9 5147 1 1 34 LYS HE3 H -16.209 5.496 2.512 1.00 . A A . 34 LYS HE3 1 1 9 5148 1 1 34 LYS HG2 H -13.346 6.231 2.075 1.00 . A A . 34 LYS HG2 1 1 9 5149 1 1 34 LYS HG3 H -13.953 4.576 2.196 1.00 . A A . 34 LYS HG3 1 1 9 5150 1 1 34 LYS HZ1 H -17.788 6.844 3.723 1.00 . A A . 34 LYS HZ1 1 1 9 5151 1 1 34 LYS HZ2 H -16.599 7.316 4.829 1.00 . A A . 34 LYS HZ2 1 1 9 5152 1 1 34 LYS HZ3 H -17.091 5.697 4.754 1.00 . A A . 34 LYS HZ3 1 1 9 5153 1 1 34 LYS N N -11.809 3.141 1.794 1.00 . A A . 34 LYS N 1 1 9 5154 1 1 34 LYS NZ N -16.905 6.553 4.190 1.00 . A A . 34 LYS NZ 1 1 9 5155 1 1 34 LYS O O -9.494 4.816 3.982 1.00 . A A . 34 LYS O 1 1 9 5156 1 1 35 SER C C -6.916 2.278 2.137 1.00 . A A . 35 SER C 1 1 9 5157 1 1 35 SER CA C -7.903 2.703 3.224 1.00 . A A . 35 SER CA 1 1 9 5158 1 1 35 SER CB C -8.053 1.598 4.277 1.00 . A A . 35 SER CB 1 1 9 5159 1 1 35 SER H H -9.540 2.481 1.920 1.00 . A A . 35 SER H 1 1 9 5160 1 1 35 SER HA H -7.507 3.584 3.710 1.00 . A A . 35 SER HA 1 1 9 5161 1 1 35 SER HB2 H -7.078 1.306 4.642 1.00 . A A . 35 SER HB2 1 1 9 5162 1 1 35 SER HB3 H -8.641 1.975 5.101 1.00 . A A . 35 SER HB3 1 1 9 5163 1 1 35 SER HG H -8.939 -0.142 4.461 1.00 . A A . 35 SER HG 1 1 9 5164 1 1 35 SER N N -9.199 3.036 2.649 1.00 . A A . 35 SER N 1 1 9 5165 1 1 35 SER O O -7.232 1.450 1.283 1.00 . A A . 35 SER O 1 1 9 5166 1 1 35 SER OG O -8.703 0.453 3.746 1.00 . A A . 35 SER OG 1 1 9 5167 1 1 36 CYS C C -4.035 1.196 1.525 1.00 . A A . 36 CYS C 1 1 9 5168 1 1 36 CYS CA C -4.693 2.532 1.184 1.00 . A A . 36 CYS CA 1 1 9 5169 1 1 36 CYS CB C -3.635 3.637 1.139 1.00 . A A . 36 CYS CB 1 1 9 5170 1 1 36 CYS H H -5.525 3.519 2.868 1.00 . A A . 36 CYS H 1 1 9 5171 1 1 36 CYS HA H -5.144 2.458 0.211 1.00 . A A . 36 CYS HA 1 1 9 5172 1 1 36 CYS HB2 H -3.066 3.621 2.061 1.00 . A A . 36 CYS HB2 1 1 9 5173 1 1 36 CYS HB3 H -2.985 3.425 0.328 1.00 . A A . 36 CYS HB3 1 1 9 5174 1 1 36 CYS N N -5.724 2.860 2.161 1.00 . A A . 36 CYS N 1 1 9 5175 1 1 36 CYS O O -3.125 1.134 2.347 1.00 . A A . 36 CYS O 1 1 9 5176 1 1 36 CYS SG S -4.315 5.320 0.955 1.00 . A A . 36 CYS SG 1 1 9 5177 1 1 37 LYS C C -2.894 -1.514 0.083 1.00 . A A . 37 LYS C 1 1 9 5178 1 1 37 LYS CA C -3.956 -1.199 1.125 1.00 . A A . 37 LYS CA 1 1 9 5179 1 1 37 LYS CB C -5.060 -2.256 1.072 1.00 . A A . 37 LYS CB 1 1 9 5180 1 1 37 LYS CD C -5.644 -4.710 1.178 1.00 . A A . 37 LYS CD 1 1 9 5181 1 1 37 LYS CE C -5.891 -4.925 -0.309 1.00 . A A . 37 LYS CE 1 1 9 5182 1 1 37 LYS CG C -4.577 -3.656 1.428 1.00 . A A . 37 LYS CG 1 1 9 5183 1 1 37 LYS H H -5.241 0.233 0.246 1.00 . A A . 37 LYS H 1 1 9 5184 1 1 37 LYS HA H -3.507 -1.224 2.114 1.00 . A A . 37 LYS HA 1 1 9 5185 1 1 37 LYS HB2 H -5.835 -1.979 1.773 1.00 . A A . 37 LYS HB2 1 1 9 5186 1 1 37 LYS HB3 H -5.478 -2.267 0.077 1.00 . A A . 37 LYS HB3 1 1 9 5187 1 1 37 LYS HD2 H -5.316 -5.643 1.611 1.00 . A A . 37 LYS HD2 1 1 9 5188 1 1 37 LYS HD3 H -6.569 -4.403 1.648 1.00 . A A . 37 LYS HD3 1 1 9 5189 1 1 37 LYS HE2 H -6.260 -4.009 -0.742 1.00 . A A . 37 LYS HE2 1 1 9 5190 1 1 37 LYS HE3 H -4.959 -5.199 -0.785 1.00 . A A . 37 LYS HE3 1 1 9 5191 1 1 37 LYS HG2 H -3.703 -3.903 0.842 1.00 . A A . 37 LYS HG2 1 1 9 5192 1 1 37 LYS HG3 H -4.317 -3.672 2.476 1.00 . A A . 37 LYS HG3 1 1 9 5193 1 1 37 LYS HZ1 H -7.800 -5.754 -0.115 1.00 . A A . 37 LYS HZ1 1 1 9 5194 1 1 37 LYS HZ2 H -6.555 -6.901 -0.156 1.00 . A A . 37 LYS HZ2 1 1 9 5195 1 1 37 LYS HZ3 H -7.033 -6.121 -1.577 1.00 . A A . 37 LYS HZ3 1 1 9 5196 1 1 37 LYS N N -4.506 0.128 0.896 1.00 . A A . 37 LYS N 1 1 9 5197 1 1 37 LYS NZ N -6.888 -5.999 -0.554 1.00 . A A . 37 LYS NZ 1 1 9 5198 1 1 37 LYS O O -3.107 -1.313 -1.113 1.00 . A A . 37 LYS O 1 1 9 5199 1 1 38 CYS C C -0.913 -3.686 -1.032 1.00 . A A . 38 CYS C 1 1 9 5200 1 1 38 CYS CA C -0.660 -2.349 -0.347 1.00 . A A . 38 CYS CA 1 1 9 5201 1 1 38 CYS CB C 0.643 -2.418 0.453 1.00 . A A . 38 CYS CB 1 1 9 5202 1 1 38 CYS H H -1.656 -2.161 1.511 1.00 . A A . 38 CYS H 1 1 9 5203 1 1 38 CYS HA H -0.563 -1.590 -1.089 1.00 . A A . 38 CYS HA 1 1 9 5204 1 1 38 CYS HB2 H 0.566 -3.212 1.185 1.00 . A A . 38 CYS HB2 1 1 9 5205 1 1 38 CYS HB3 H 1.463 -2.637 -0.217 1.00 . A A . 38 CYS HB3 1 1 9 5206 1 1 38 CYS N N -1.762 -2.013 0.540 1.00 . A A . 38 CYS N 1 1 9 5207 1 1 38 CYS O O -1.548 -4.575 -0.460 1.00 . A A . 38 CYS O 1 1 9 5208 1 1 38 CYS SG S 1.040 -0.889 1.358 1.00 . A A . 38 CYS SG 1 1 9 5209 1 1 39 TYR C C 0.529 -6.044 -2.476 1.00 . A A . 39 TYR C 1 1 9 5210 1 1 39 TYR CA C -0.524 -5.079 -2.996 1.00 . A A . 39 TYR CA 1 1 9 5211 1 1 39 TYR CB C -0.285 -4.878 -4.498 1.00 . A A . 39 TYR CB 1 1 9 5212 1 1 39 TYR CD1 C -2.401 -4.122 -5.661 1.00 . A A . 39 TYR CD1 1 1 9 5213 1 1 39 TYR CD2 C -0.665 -2.525 -5.322 1.00 . A A . 39 TYR CD2 1 1 9 5214 1 1 39 TYR CE1 C -3.164 -3.158 -6.296 1.00 . A A . 39 TYR CE1 1 1 9 5215 1 1 39 TYR CE2 C -1.417 -1.560 -5.959 1.00 . A A . 39 TYR CE2 1 1 9 5216 1 1 39 TYR CG C -1.140 -3.820 -5.162 1.00 . A A . 39 TYR CG 1 1 9 5217 1 1 39 TYR CZ C -2.664 -1.879 -6.442 1.00 . A A . 39 TYR CZ 1 1 9 5218 1 1 39 TYR H H 0.083 -3.071 -2.666 1.00 . A A . 39 TYR H 1 1 9 5219 1 1 39 TYR HA H -1.510 -5.501 -2.841 1.00 . A A . 39 TYR HA 1 1 9 5220 1 1 39 TYR HB2 H 0.753 -4.606 -4.657 1.00 . A A . 39 TYR HB2 1 1 9 5221 1 1 39 TYR HB3 H -0.470 -5.819 -5.004 1.00 . A A . 39 TYR HB3 1 1 9 5222 1 1 39 TYR HD1 H -2.791 -5.124 -5.545 1.00 . A A . 39 TYR HD1 1 1 9 5223 1 1 39 TYR HD2 H 0.302 -2.281 -4.941 1.00 . A A . 39 TYR HD2 1 1 9 5224 1 1 39 TYR HE1 H -4.144 -3.408 -6.675 1.00 . A A . 39 TYR HE1 1 1 9 5225 1 1 39 TYR HE2 H -1.027 -0.559 -6.072 1.00 . A A . 39 TYR HE2 1 1 9 5226 1 1 39 TYR HH H -3.200 -0.927 -8.024 1.00 . A A . 39 TYR HH 1 1 9 5227 1 1 39 TYR N N -0.416 -3.820 -2.261 1.00 . A A . 39 TYR N 1 1 9 5228 1 1 39 TYR O O 0.479 -7.247 -2.723 1.00 . A A . 39 TYR O 1 1 9 5229 1 1 39 TYR OH O -3.410 -0.920 -7.087 1.00 . A A . 39 TYR OH 1 1 9 5230 1 1 40 GLY C C 3.905 -5.562 -1.667 1.00 . A A . 40 GLY C 1 1 9 5231 1 1 40 GLY CA C 2.615 -6.235 -1.271 1.00 . A A . 40 GLY CA 1 1 9 5232 1 1 40 GLY H H 1.490 -4.516 -1.603 1.00 . A A . 40 GLY H 1 1 9 5233 1 1 40 GLY HA2 H 2.562 -6.285 -0.193 1.00 . A A . 40 GLY HA2 1 1 9 5234 1 1 40 GLY HA3 H 2.613 -7.242 -1.670 1.00 . A A . 40 GLY HA3 1 1 9 5235 1 1 40 GLY N N 1.488 -5.482 -1.760 1.00 . A A . 40 GLY N 1 1 9 5236 1 1 40 GLY O O 3.881 -4.496 -2.287 1.00 . A A . 40 GLY O 1 1 9 5237 1 1 41 CYS C C 6.923 -6.387 -2.822 1.00 . A A . 41 CYS C 1 1 9 5238 1 1 41 CYS CA C 6.309 -5.584 -1.683 1.00 . A A . 41 CYS CA 1 1 9 5239 1 1 41 CYS CB C 7.240 -5.545 -0.467 1.00 . A A . 41 CYS CB 1 1 9 5240 1 1 41 CYS H H 5.003 -7.007 -0.822 1.00 . A A . 41 CYS H 1 1 9 5241 1 1 41 CYS HA H 6.124 -4.607 -2.034 1.00 . A A . 41 CYS HA 1 1 9 5242 1 1 41 CYS HB2 H 6.664 -5.251 0.399 1.00 . A A . 41 CYS HB2 1 1 9 5243 1 1 41 CYS HB3 H 7.655 -6.527 -0.286 1.00 . A A . 41 CYS HB3 1 1 9 5244 1 1 41 CYS N N 5.027 -6.155 -1.319 1.00 . A A . 41 CYS N 1 1 9 5245 1 1 41 CYS O O 6.611 -6.079 -3.995 1.00 . A A . 41 CYS O 1 1 9 5246 1 1 41 CYS OXT O 7.692 -7.330 -2.549 1.00 . A A . 41 CYS OXT 1 1 9 5247 1 1 41 CYS SG S 8.632 -4.367 -0.600 1.00 . A A . 41 CYS SG 1 1 10 5248 1 1 1 TRP C C 1.252 0.418 10.497 1.00 . A A . 1 TRP C 1 1 10 5249 1 1 1 TRP CA C 2.404 -0.512 10.140 1.00 . A A . 1 TRP CA 1 1 10 5250 1 1 1 TRP CB C 1.881 -1.948 10.034 1.00 . A A . 1 TRP CB 1 1 10 5251 1 1 1 TRP CD1 C 3.246 -3.177 8.247 1.00 . A A . 1 TRP CD1 1 1 10 5252 1 1 1 TRP CD2 C 3.703 -3.810 10.344 1.00 . A A . 1 TRP CD2 1 1 10 5253 1 1 1 TRP CE2 C 4.512 -4.554 9.463 1.00 . A A . 1 TRP CE2 1 1 10 5254 1 1 1 TRP CE3 C 3.817 -4.041 11.718 1.00 . A A . 1 TRP CE3 1 1 10 5255 1 1 1 TRP CG C 2.902 -2.932 9.545 1.00 . A A . 1 TRP CG 1 1 10 5256 1 1 1 TRP CH2 C 5.510 -5.711 11.260 1.00 . A A . 1 TRP CH2 1 1 10 5257 1 1 1 TRP CZ2 C 5.422 -5.506 9.913 1.00 . A A . 1 TRP CZ2 1 1 10 5258 1 1 1 TRP CZ3 C 4.719 -4.987 12.161 1.00 . A A . 1 TRP CZ3 1 1 10 5259 1 1 1 TRP H1 H 4.277 -1.008 10.836 1.00 . A A . 1 TRP H1 1 1 10 5260 1 1 1 TRP H2 H 3.103 -0.768 12.068 1.00 . A A . 1 TRP H2 1 1 10 5261 1 1 1 TRP H3 H 3.769 0.575 11.229 1.00 . A A . 1 TRP H3 1 1 10 5262 1 1 1 TRP HA H 2.829 -0.219 9.209 1.00 . A A . 1 TRP HA 1 1 10 5263 1 1 1 TRP HB2 H 1.546 -2.273 11.009 1.00 . A A . 1 TRP HB2 1 1 10 5264 1 1 1 TRP HB3 H 1.042 -1.974 9.348 1.00 . A A . 1 TRP HB3 1 1 10 5265 1 1 1 TRP HD1 H 2.810 -2.677 7.403 1.00 . A A . 1 TRP HD1 1 1 10 5266 1 1 1 TRP HE1 H 4.625 -4.493 7.370 1.00 . A A . 1 TRP HE1 1 1 10 5267 1 1 1 TRP HE3 H 3.216 -3.493 12.428 1.00 . A A . 1 TRP HE3 1 1 10 5268 1 1 1 TRP HH2 H 6.202 -6.442 11.652 1.00 . A A . 1 TRP HH2 1 1 10 5269 1 1 1 TRP HZ2 H 6.040 -6.073 9.232 1.00 . A A . 1 TRP HZ2 1 1 10 5270 1 1 1 TRP HZ3 H 4.819 -5.180 13.219 1.00 . A A . 1 TRP HZ3 1 1 10 5271 1 1 1 TRP N N 3.477 -0.423 11.155 1.00 . A A . 1 TRP N 1 1 10 5272 1 1 1 TRP NE1 N 4.214 -4.147 8.190 1.00 . A A . 1 TRP NE1 1 1 10 5273 1 1 1 TRP O O 0.857 0.514 11.657 1.00 . A A . 1 TRP O 1 1 10 5274 1 1 2 CYS C C -1.710 1.176 9.524 1.00 . A A . 2 CYS C 1 1 10 5275 1 1 2 CYS CA C -0.422 1.975 9.683 1.00 . A A . 2 CYS CA 1 1 10 5276 1 1 2 CYS CB C -0.376 3.133 8.675 1.00 . A A . 2 CYS CB 1 1 10 5277 1 1 2 CYS H H 1.063 0.988 8.616 1.00 . A A . 2 CYS H 1 1 10 5278 1 1 2 CYS HA H -0.364 2.368 10.683 1.00 . A A . 2 CYS HA 1 1 10 5279 1 1 2 CYS HB2 H 0.589 3.613 8.740 1.00 . A A . 2 CYS HB2 1 1 10 5280 1 1 2 CYS HB3 H -0.509 2.744 7.674 1.00 . A A . 2 CYS HB3 1 1 10 5281 1 1 2 CYS N N 0.721 1.101 9.494 1.00 . A A . 2 CYS N 1 1 10 5282 1 1 2 CYS O O -2.282 1.109 8.439 1.00 . A A . 2 CYS O 1 1 10 5283 1 1 2 CYS SG S -1.643 4.414 8.948 1.00 . A A . 2 CYS SG 1 1 10 5284 1 1 3 SER C C -4.608 0.505 10.459 1.00 . A A . 3 SER C 1 1 10 5285 1 1 3 SER CA C -3.320 -0.310 10.570 1.00 . A A . 3 SER CA 1 1 10 5286 1 1 3 SER CB C -3.358 -1.182 11.826 1.00 . A A . 3 SER CB 1 1 10 5287 1 1 3 SER H H -1.635 0.626 11.448 1.00 . A A . 3 SER H 1 1 10 5288 1 1 3 SER HA H -3.244 -0.957 9.705 1.00 . A A . 3 SER HA 1 1 10 5289 1 1 3 SER HB2 H -3.639 -0.600 12.689 1.00 . A A . 3 SER HB2 1 1 10 5290 1 1 3 SER HB3 H -4.070 -1.981 11.684 1.00 . A A . 3 SER HB3 1 1 10 5291 1 1 3 SER HG H -2.156 -2.385 12.803 1.00 . A A . 3 SER HG 1 1 10 5292 1 1 3 SER N N -2.147 0.548 10.607 1.00 . A A . 3 SER N 1 1 10 5293 1 1 3 SER O O -5.265 0.513 9.419 1.00 . A A . 3 SER O 1 1 10 5294 1 1 3 SER OG O -2.084 -1.753 12.084 1.00 . A A . 3 SER OG 1 1 10 5295 1 1 4 THR C C -5.975 3.444 11.542 1.00 . A A . 4 THR C 1 1 10 5296 1 1 4 THR CA C -6.210 1.939 11.579 1.00 . A A . 4 THR CA 1 1 10 5297 1 1 4 THR CB C -7.006 1.563 12.839 1.00 . A A . 4 THR CB 1 1 10 5298 1 1 4 THR CG2 C -7.677 0.208 12.667 1.00 . A A . 4 THR CG2 1 1 10 5299 1 1 4 THR H H -4.397 1.189 12.335 1.00 . A A . 4 THR H 1 1 10 5300 1 1 4 THR HA H -6.808 1.687 10.709 1.00 . A A . 4 THR HA 1 1 10 5301 1 1 4 THR HB H -7.785 2.293 13.026 1.00 . A A . 4 THR HB 1 1 10 5302 1 1 4 THR HG1 H -6.630 1.664 14.778 1.00 . A A . 4 THR HG1 1 1 10 5303 1 1 4 THR HG21 H -6.926 -0.550 12.493 1.00 . A A . 4 THR HG21 1 1 10 5304 1 1 4 THR HG22 H -8.355 0.243 11.826 1.00 . A A . 4 THR HG22 1 1 10 5305 1 1 4 THR HG23 H -8.229 -0.034 13.563 1.00 . A A . 4 THR HG23 1 1 10 5306 1 1 4 THR N N -4.960 1.199 11.530 1.00 . A A . 4 THR N 1 1 10 5307 1 1 4 THR O O -6.722 4.223 12.135 1.00 . A A . 4 THR O 1 1 10 5308 1 1 4 THR OG1 O -6.126 1.526 13.972 1.00 . A A . 4 THR OG1 1 1 10 5309 1 1 5 CYS C C -4.717 5.622 9.191 1.00 . A A . 5 CYS C 1 1 10 5310 1 1 5 CYS CA C -4.629 5.261 10.668 1.00 . A A . 5 CYS CA 1 1 10 5311 1 1 5 CYS CB C -3.249 5.602 11.239 1.00 . A A . 5 CYS CB 1 1 10 5312 1 1 5 CYS H H -4.354 3.193 10.406 1.00 . A A . 5 CYS H 1 1 10 5313 1 1 5 CYS HA H -5.368 5.854 11.195 1.00 . A A . 5 CYS HA 1 1 10 5314 1 1 5 CYS HB2 H -2.890 6.529 10.811 1.00 . A A . 5 CYS HB2 1 1 10 5315 1 1 5 CYS HB3 H -3.340 5.726 12.308 1.00 . A A . 5 CYS HB3 1 1 10 5316 1 1 5 CYS N N -4.920 3.850 10.858 1.00 . A A . 5 CYS N 1 1 10 5317 1 1 5 CYS O O -4.390 6.741 8.783 1.00 . A A . 5 CYS O 1 1 10 5318 1 1 5 CYS SG S -1.980 4.329 10.945 1.00 . A A . 5 CYS SG 1 1 10 5319 1 1 6 LEU C C -6.687 5.542 6.689 1.00 . A A . 6 LEU C 1 1 10 5320 1 1 6 LEU CA C -5.349 4.871 6.964 1.00 . A A . 6 LEU CA 1 1 10 5321 1 1 6 LEU CB C -5.272 3.538 6.214 1.00 . A A . 6 LEU CB 1 1 10 5322 1 1 6 LEU CD1 C -4.002 1.472 5.583 1.00 . A A . 6 LEU CD1 1 1 10 5323 1 1 6 LEU CD2 C -2.848 3.689 5.580 1.00 . A A . 6 LEU CD2 1 1 10 5324 1 1 6 LEU CG C -3.913 2.834 6.254 1.00 . A A . 6 LEU CG 1 1 10 5325 1 1 6 LEU H H -5.445 3.797 8.762 1.00 . A A . 6 LEU H 1 1 10 5326 1 1 6 LEU HA H -4.564 5.523 6.609 1.00 . A A . 6 LEU HA 1 1 10 5327 1 1 6 LEU HB2 H -6.012 2.875 6.645 1.00 . A A . 6 LEU HB2 1 1 10 5328 1 1 6 LEU HB3 H -5.534 3.709 5.175 1.00 . A A . 6 LEU HB3 1 1 10 5329 1 1 6 LEU HD11 H -4.283 1.593 4.545 1.00 . A A . 6 LEU HD11 1 1 10 5330 1 1 6 LEU HD12 H -4.744 0.868 6.087 1.00 . A A . 6 LEU HD12 1 1 10 5331 1 1 6 LEU HD13 H -3.043 0.976 5.640 1.00 . A A . 6 LEU HD13 1 1 10 5332 1 1 6 LEU HD21 H -2.726 4.613 6.123 1.00 . A A . 6 LEU HD21 1 1 10 5333 1 1 6 LEU HD22 H -3.142 3.906 4.562 1.00 . A A . 6 LEU HD22 1 1 10 5334 1 1 6 LEU HD23 H -1.905 3.157 5.573 1.00 . A A . 6 LEU HD23 1 1 10 5335 1 1 6 LEU HG H -3.626 2.688 7.281 1.00 . A A . 6 LEU HG 1 1 10 5336 1 1 6 LEU N N -5.178 4.665 8.392 1.00 . A A . 6 LEU N 1 1 10 5337 1 1 6 LEU O O -7.607 4.927 6.153 1.00 . A A . 6 LEU O 1 1 10 5338 1 1 7 ASP C C -7.926 8.369 5.583 1.00 . A A . 7 ASP C 1 1 10 5339 1 1 7 ASP CA C -8.019 7.567 6.867 1.00 . A A . 7 ASP CA 1 1 10 5340 1 1 7 ASP CB C -8.299 8.492 8.049 1.00 . A A . 7 ASP CB 1 1 10 5341 1 1 7 ASP CG C -8.884 7.757 9.236 1.00 . A A . 7 ASP CG 1 1 10 5342 1 1 7 ASP H H -6.033 7.244 7.520 1.00 . A A . 7 ASP H 1 1 10 5343 1 1 7 ASP HA H -8.852 6.877 6.764 1.00 . A A . 7 ASP HA 1 1 10 5344 1 1 7 ASP HB2 H -7.377 8.958 8.362 1.00 . A A . 7 ASP HB2 1 1 10 5345 1 1 7 ASP HB3 H -9.002 9.263 7.756 1.00 . A A . 7 ASP HB3 1 1 10 5346 1 1 7 ASP N N -6.797 6.800 7.085 1.00 . A A . 7 ASP N 1 1 10 5347 1 1 7 ASP O O -8.766 9.224 5.305 1.00 . A A . 7 ASP O 1 1 10 5348 1 1 7 ASP OD1 O -8.112 7.149 10.012 1.00 . A A . 7 ASP OD1 1 1 10 5349 1 1 7 ASP OD2 O -10.121 7.791 9.404 1.00 . A A . 7 ASP OD2 1 1 10 5350 1 1 8 LEU C C -7.513 8.020 2.438 1.00 . A A . 8 LEU C 1 1 10 5351 1 1 8 LEU CA C -6.694 8.725 3.515 1.00 . A A . 8 LEU CA 1 1 10 5352 1 1 8 LEU CB C -5.205 8.715 3.126 1.00 . A A . 8 LEU CB 1 1 10 5353 1 1 8 LEU CD1 C -4.062 9.007 5.362 1.00 . A A . 8 LEU CD1 1 1 10 5354 1 1 8 LEU CD2 C -2.940 9.781 3.271 1.00 . A A . 8 LEU CD2 1 1 10 5355 1 1 8 LEU CG C -4.275 9.596 3.975 1.00 . A A . 8 LEU CG 1 1 10 5356 1 1 8 LEU H H -6.266 7.381 5.052 1.00 . A A . 8 LEU H 1 1 10 5357 1 1 8 LEU HA H -7.026 9.745 3.600 1.00 . A A . 8 LEU HA 1 1 10 5358 1 1 8 LEU HB2 H -4.851 7.694 3.173 1.00 . A A . 8 LEU HB2 1 1 10 5359 1 1 8 LEU HB3 H -5.129 9.050 2.096 1.00 . A A . 8 LEU HB3 1 1 10 5360 1 1 8 LEU HD11 H -3.789 7.963 5.282 1.00 . A A . 8 LEU HD11 1 1 10 5361 1 1 8 LEU HD12 H -4.968 9.099 5.937 1.00 . A A . 8 LEU HD12 1 1 10 5362 1 1 8 LEU HD13 H -3.271 9.543 5.872 1.00 . A A . 8 LEU HD13 1 1 10 5363 1 1 8 LEU HD21 H -2.457 8.821 3.145 1.00 . A A . 8 LEU HD21 1 1 10 5364 1 1 8 LEU HD22 H -2.305 10.428 3.860 1.00 . A A . 8 LEU HD22 1 1 10 5365 1 1 8 LEU HD23 H -3.101 10.231 2.301 1.00 . A A . 8 LEU HD23 1 1 10 5366 1 1 8 LEU HG H -4.724 10.571 4.095 1.00 . A A . 8 LEU HG 1 1 10 5367 1 1 8 LEU N N -6.901 8.074 4.797 1.00 . A A . 8 LEU N 1 1 10 5368 1 1 8 LEU O O -6.965 7.581 1.424 1.00 . A A . 8 LEU O 1 1 10 5369 1 1 9 ALA C C -9.726 7.698 0.377 1.00 . A A . 9 ALA C 1 1 10 5370 1 1 9 ALA CA C -9.748 7.187 1.812 1.00 . A A . 9 ALA CA 1 1 10 5371 1 1 9 ALA CB C -11.156 7.263 2.378 1.00 . A A . 9 ALA CB 1 1 10 5372 1 1 9 ALA H H -9.187 8.323 3.493 1.00 . A A . 9 ALA H 1 1 10 5373 1 1 9 ALA HA H -9.446 6.157 1.809 1.00 . A A . 9 ALA HA 1 1 10 5374 1 1 9 ALA HB1 H -11.470 8.296 2.427 1.00 . A A . 9 ALA HB1 1 1 10 5375 1 1 9 ALA HB2 H -11.166 6.839 3.371 1.00 . A A . 9 ALA HB2 1 1 10 5376 1 1 9 ALA HB3 H -11.837 6.710 1.745 1.00 . A A . 9 ALA HB3 1 1 10 5377 1 1 9 ALA N N -8.826 7.930 2.673 1.00 . A A . 9 ALA N 1 1 10 5378 1 1 9 ALA O O -10.595 8.473 -0.037 1.00 . A A . 9 ALA O 1 1 10 5379 1 1 10 CYS C C -8.220 9.189 -1.741 1.00 . A A . 10 CYS C 1 1 10 5380 1 1 10 CYS CA C -8.497 7.696 -1.730 1.00 . A A . 10 CYS CA 1 1 10 5381 1 1 10 CYS CB C -9.668 7.343 -2.648 1.00 . A A . 10 CYS CB 1 1 10 5382 1 1 10 CYS H H -8.081 6.616 0.022 1.00 . A A . 10 CYS H 1 1 10 5383 1 1 10 CYS HA H -7.603 7.217 -2.075 1.00 . A A . 10 CYS HA 1 1 10 5384 1 1 10 CYS HB2 H -10.594 7.675 -2.213 1.00 . A A . 10 CYS HB2 1 1 10 5385 1 1 10 CYS HB3 H -9.535 7.832 -3.605 1.00 . A A . 10 CYS HB3 1 1 10 5386 1 1 10 CYS N N -8.732 7.241 -0.371 1.00 . A A . 10 CYS N 1 1 10 5387 1 1 10 CYS O O -8.740 9.932 -2.578 1.00 . A A . 10 CYS O 1 1 10 5388 1 1 10 CYS SG S -9.820 5.557 -2.981 1.00 . A A . 10 CYS SG 1 1 10 5389 1 1 11 THR C C -5.853 11.185 -1.823 1.00 . A A . 11 THR C 1 1 10 5390 1 1 11 THR CA C -6.940 11.005 -0.773 1.00 . A A . 11 THR CA 1 1 10 5391 1 1 11 THR CB C -6.385 11.390 0.612 1.00 . A A . 11 THR CB 1 1 10 5392 1 1 11 THR CG2 C -6.068 12.876 0.680 1.00 . A A . 11 THR CG2 1 1 10 5393 1 1 11 THR H H -6.999 8.987 -0.156 1.00 . A A . 11 THR H 1 1 10 5394 1 1 11 THR HA H -7.778 11.650 -1.016 1.00 . A A . 11 THR HA 1 1 10 5395 1 1 11 THR HB H -5.472 10.841 0.804 1.00 . A A . 11 THR HB 1 1 10 5396 1 1 11 THR HG1 H -7.046 11.412 2.483 1.00 . A A . 11 THR HG1 1 1 10 5397 1 1 11 THR HG21 H -5.252 13.106 0.011 1.00 . A A . 11 THR HG21 1 1 10 5398 1 1 11 THR HG22 H -5.784 13.134 1.690 1.00 . A A . 11 THR HG22 1 1 10 5399 1 1 11 THR HG23 H -6.940 13.450 0.397 1.00 . A A . 11 THR HG23 1 1 10 5400 1 1 11 THR N N -7.391 9.625 -0.798 1.00 . A A . 11 THR N 1 1 10 5401 1 1 11 THR O O -5.673 12.264 -2.387 1.00 . A A . 11 THR O 1 1 10 5402 1 1 11 THR OG1 O -7.331 11.057 1.635 1.00 . A A . 11 THR OG1 1 1 10 5403 1 1 12 GLY C C -3.357 8.797 -3.103 1.00 . A A . 12 GLY C 1 1 10 5404 1 1 12 GLY CA C -4.136 10.091 -3.115 1.00 . A A . 12 GLY CA 1 1 10 5405 1 1 12 GLY H H -5.354 9.254 -1.627 1.00 . A A . 12 GLY H 1 1 10 5406 1 1 12 GLY HA2 H -4.608 10.223 -4.080 1.00 . A A . 12 GLY HA2 1 1 10 5407 1 1 12 GLY HA3 H -3.455 10.904 -2.952 1.00 . A A . 12 GLY HA3 1 1 10 5408 1 1 12 GLY N N -5.155 10.096 -2.097 1.00 . A A . 12 GLY N 1 1 10 5409 1 1 12 GLY O O -2.809 8.408 -2.070 1.00 . A A . 12 GLY O 1 1 10 5410 1 1 13 SER C C -1.093 7.190 -4.044 1.00 . A A . 13 SER C 1 1 10 5411 1 1 13 SER CA C -2.555 6.891 -4.359 1.00 . A A . 13 SER CA 1 1 10 5412 1 1 13 SER CB C -2.702 6.319 -5.772 1.00 . A A . 13 SER CB 1 1 10 5413 1 1 13 SER H H -3.806 8.463 -5.024 1.00 . A A . 13 SER H 1 1 10 5414 1 1 13 SER HA H -2.931 6.172 -3.643 1.00 . A A . 13 SER HA 1 1 10 5415 1 1 13 SER HB2 H -2.176 6.948 -6.480 1.00 . A A . 13 SER HB2 1 1 10 5416 1 1 13 SER HB3 H -2.287 5.322 -5.799 1.00 . A A . 13 SER HB3 1 1 10 5417 1 1 13 SER HG H -4.313 7.045 -6.637 1.00 . A A . 13 SER HG 1 1 10 5418 1 1 13 SER N N -3.329 8.112 -4.234 1.00 . A A . 13 SER N 1 1 10 5419 1 1 13 SER O O -0.462 6.503 -3.238 1.00 . A A . 13 SER O 1 1 10 5420 1 1 13 SER OG O -4.070 6.253 -6.150 1.00 . A A . 13 SER OG 1 1 10 5421 1 1 14 LYS C C 0.980 9.138 -2.952 1.00 . A A . 14 LYS C 1 1 10 5422 1 1 14 LYS CA C 0.784 8.709 -4.407 1.00 . A A . 14 LYS CA 1 1 10 5423 1 1 14 LYS CB C 1.142 9.853 -5.366 1.00 . A A . 14 LYS CB 1 1 10 5424 1 1 14 LYS CD C 0.454 12.025 -6.434 1.00 . A A . 14 LYS CD 1 1 10 5425 1 1 14 LYS CE C -0.489 13.218 -6.377 1.00 . A A . 14 LYS CE 1 1 10 5426 1 1 14 LYS CG C 0.208 11.055 -5.285 1.00 . A A . 14 LYS CG 1 1 10 5427 1 1 14 LYS H H -1.158 8.781 -5.248 1.00 . A A . 14 LYS H 1 1 10 5428 1 1 14 LYS HA H 1.436 7.892 -4.600 1.00 . A A . 14 LYS HA 1 1 10 5429 1 1 14 LYS HB2 H 2.148 10.191 -5.154 1.00 . A A . 14 LYS HB2 1 1 10 5430 1 1 14 LYS HB3 H 1.113 9.465 -6.376 1.00 . A A . 14 LYS HB3 1 1 10 5431 1 1 14 LYS HD2 H 1.471 12.385 -6.379 1.00 . A A . 14 LYS HD2 1 1 10 5432 1 1 14 LYS HD3 H 0.304 11.507 -7.372 1.00 . A A . 14 LYS HD3 1 1 10 5433 1 1 14 LYS HE2 H -1.509 12.861 -6.321 1.00 . A A . 14 LYS HE2 1 1 10 5434 1 1 14 LYS HE3 H -0.262 13.798 -5.495 1.00 . A A . 14 LYS HE3 1 1 10 5435 1 1 14 LYS HG2 H -0.818 10.725 -5.327 1.00 . A A . 14 LYS HG2 1 1 10 5436 1 1 14 LYS HG3 H 0.384 11.568 -4.351 1.00 . A A . 14 LYS HG3 1 1 10 5437 1 1 14 LYS HZ1 H -0.576 13.550 -8.439 1.00 . A A . 14 LYS HZ1 1 1 10 5438 1 1 14 LYS HZ2 H 0.617 14.455 -7.648 1.00 . A A . 14 LYS HZ2 1 1 10 5439 1 1 14 LYS HZ3 H -1.010 14.891 -7.505 1.00 . A A . 14 LYS HZ3 1 1 10 5440 1 1 14 LYS N N -0.583 8.263 -4.643 1.00 . A A . 14 LYS N 1 1 10 5441 1 1 14 LYS NZ N -0.354 14.087 -7.575 1.00 . A A . 14 LYS NZ 1 1 10 5442 1 1 14 LYS O O 2.093 9.103 -2.429 1.00 . A A . 14 LYS O 1 1 10 5443 1 1 15 ASP C C 0.073 8.674 -0.009 1.00 . A A . 15 ASP C 1 1 10 5444 1 1 15 ASP CA C -0.062 9.906 -0.891 1.00 . A A . 15 ASP CA 1 1 10 5445 1 1 15 ASP CB C -1.314 10.691 -0.483 1.00 . A A . 15 ASP CB 1 1 10 5446 1 1 15 ASP CG C -1.347 12.091 -1.055 1.00 . A A . 15 ASP CG 1 1 10 5447 1 1 15 ASP H H -0.967 9.535 -2.750 1.00 . A A . 15 ASP H 1 1 10 5448 1 1 15 ASP HA H 0.811 10.532 -0.736 1.00 . A A . 15 ASP HA 1 1 10 5449 1 1 15 ASP HB2 H -2.189 10.170 -0.816 1.00 . A A . 15 ASP HB2 1 1 10 5450 1 1 15 ASP HB3 H -1.349 10.777 0.597 1.00 . A A . 15 ASP HB3 1 1 10 5451 1 1 15 ASP N N -0.109 9.522 -2.298 1.00 . A A . 15 ASP N 1 1 10 5452 1 1 15 ASP O O 0.740 8.713 1.022 1.00 . A A . 15 ASP O 1 1 10 5453 1 1 15 ASP OD1 O -0.396 12.864 -0.810 1.00 . A A . 15 ASP OD1 1 1 10 5454 1 1 15 ASP OD2 O -2.323 12.429 -1.754 1.00 . A A . 15 ASP OD2 1 1 10 5455 1 1 16 CYS C C 0.707 5.492 -0.007 1.00 . A A . 16 CYS C 1 1 10 5456 1 1 16 CYS CA C -0.527 6.332 0.333 1.00 . A A . 16 CYS CA 1 1 10 5457 1 1 16 CYS CB C -1.805 5.531 0.079 1.00 . A A . 16 CYS CB 1 1 10 5458 1 1 16 CYS H H -1.080 7.607 -1.261 1.00 . A A . 16 CYS H 1 1 10 5459 1 1 16 CYS HA H -0.483 6.575 1.389 1.00 . A A . 16 CYS HA 1 1 10 5460 1 1 16 CYS HB2 H -1.913 5.357 -0.981 1.00 . A A . 16 CYS HB2 1 1 10 5461 1 1 16 CYS HB3 H -1.724 4.588 0.590 1.00 . A A . 16 CYS HB3 1 1 10 5462 1 1 16 CYS N N -0.561 7.582 -0.424 1.00 . A A . 16 CYS N 1 1 10 5463 1 1 16 CYS O O 1.083 4.593 0.754 1.00 . A A . 16 CYS O 1 1 10 5464 1 1 16 CYS SG S -3.318 6.362 0.670 1.00 . A A . 16 CYS SG 1 1 10 5465 1 1 17 TYR C C 3.638 5.181 -0.446 1.00 . A A . 17 TYR C 1 1 10 5466 1 1 17 TYR CA C 2.567 5.092 -1.536 1.00 . A A . 17 TYR CA 1 1 10 5467 1 1 17 TYR CB C 3.124 5.662 -2.845 1.00 . A A . 17 TYR CB 1 1 10 5468 1 1 17 TYR CD1 C 1.358 4.296 -4.044 1.00 . A A . 17 TYR CD1 1 1 10 5469 1 1 17 TYR CD2 C 2.544 5.946 -5.285 1.00 . A A . 17 TYR CD2 1 1 10 5470 1 1 17 TYR CE1 C 0.636 3.960 -5.174 1.00 . A A . 17 TYR CE1 1 1 10 5471 1 1 17 TYR CE2 C 1.828 5.615 -6.419 1.00 . A A . 17 TYR CE2 1 1 10 5472 1 1 17 TYR CG C 2.326 5.294 -4.081 1.00 . A A . 17 TYR CG 1 1 10 5473 1 1 17 TYR CZ C 0.873 4.622 -6.358 1.00 . A A . 17 TYR CZ 1 1 10 5474 1 1 17 TYR H H 1.007 6.512 -1.717 1.00 . A A . 17 TYR H 1 1 10 5475 1 1 17 TYR HA H 2.337 4.048 -1.663 1.00 . A A . 17 TYR HA 1 1 10 5476 1 1 17 TYR HB2 H 3.142 6.740 -2.772 1.00 . A A . 17 TYR HB2 1 1 10 5477 1 1 17 TYR HB3 H 4.135 5.305 -2.995 1.00 . A A . 17 TYR HB3 1 1 10 5478 1 1 17 TYR HD1 H 1.155 3.765 -3.133 1.00 . A A . 17 TYR HD1 1 1 10 5479 1 1 17 TYR HD2 H 3.292 6.725 -5.336 1.00 . A A . 17 TYR HD2 1 1 10 5480 1 1 17 TYR HE1 H -0.102 3.192 -5.127 1.00 . A A . 17 TYR HE1 1 1 10 5481 1 1 17 TYR HE2 H 2.015 6.136 -7.346 1.00 . A A . 17 TYR HE2 1 1 10 5482 1 1 17 TYR HH H 0.618 3.592 -7.963 1.00 . A A . 17 TYR HH 1 1 10 5483 1 1 17 TYR N N 1.341 5.787 -1.142 1.00 . A A . 17 TYR N 1 1 10 5484 1 1 17 TYR O O 4.289 4.184 -0.124 1.00 . A A . 17 TYR O 1 1 10 5485 1 1 17 TYR OH O 0.158 4.287 -7.486 1.00 . A A . 17 TYR OH 1 1 10 5486 1 1 18 ALA C C 4.535 5.776 2.425 1.00 . A A . 18 ALA C 1 1 10 5487 1 1 18 ALA CA C 4.816 6.597 1.156 1.00 . A A . 18 ALA CA 1 1 10 5488 1 1 18 ALA CB C 4.941 8.084 1.477 1.00 . A A . 18 ALA CB 1 1 10 5489 1 1 18 ALA H H 3.247 7.131 -0.170 1.00 . A A . 18 ALA H 1 1 10 5490 1 1 18 ALA HA H 5.769 6.275 0.753 1.00 . A A . 18 ALA HA 1 1 10 5491 1 1 18 ALA HB1 H 5.232 8.227 2.510 1.00 . A A . 18 ALA HB1 1 1 10 5492 1 1 18 ALA HB2 H 4.001 8.583 1.298 1.00 . A A . 18 ALA HB2 1 1 10 5493 1 1 18 ALA HB3 H 5.695 8.518 0.837 1.00 . A A . 18 ALA HB3 1 1 10 5494 1 1 18 ALA N N 3.805 6.372 0.125 1.00 . A A . 18 ALA N 1 1 10 5495 1 1 18 ALA O O 5.419 5.054 2.889 1.00 . A A . 18 ALA O 1 1 10 5496 1 1 19 PRO C C 3.167 3.551 3.922 1.00 . A A . 19 PRO C 1 1 10 5497 1 1 19 PRO CA C 2.938 5.039 4.171 1.00 . A A . 19 PRO CA 1 1 10 5498 1 1 19 PRO CB C 1.447 5.327 4.345 1.00 . A A . 19 PRO CB 1 1 10 5499 1 1 19 PRO CD C 2.242 6.821 2.672 1.00 . A A . 19 PRO CD 1 1 10 5500 1 1 19 PRO CG C 1.276 6.703 3.816 1.00 . A A . 19 PRO CG 1 1 10 5501 1 1 19 PRO HA H 3.469 5.335 5.064 1.00 . A A . 19 PRO HA 1 1 10 5502 1 1 19 PRO HB2 H 0.851 4.617 3.783 1.00 . A A . 19 PRO HB2 1 1 10 5503 1 1 19 PRO HB3 H 1.187 5.275 5.391 1.00 . A A . 19 PRO HB3 1 1 10 5504 1 1 19 PRO HD2 H 1.782 6.571 1.759 1.00 . A A . 19 PRO HD2 1 1 10 5505 1 1 19 PRO HD3 H 2.615 7.825 2.636 1.00 . A A . 19 PRO HD3 1 1 10 5506 1 1 19 PRO HG2 H 0.262 6.841 3.469 1.00 . A A . 19 PRO HG2 1 1 10 5507 1 1 19 PRO HG3 H 1.513 7.425 4.583 1.00 . A A . 19 PRO HG3 1 1 10 5508 1 1 19 PRO N N 3.319 5.874 3.022 1.00 . A A . 19 PRO N 1 1 10 5509 1 1 19 PRO O O 3.685 2.854 4.789 1.00 . A A . 19 PRO O 1 1 10 5510 1 1 20 CYS C C 4.472 1.299 2.331 1.00 . A A . 20 CYS C 1 1 10 5511 1 1 20 CYS CA C 2.994 1.664 2.401 1.00 . A A . 20 CYS CA 1 1 10 5512 1 1 20 CYS CB C 2.289 1.309 1.096 1.00 . A A . 20 CYS CB 1 1 10 5513 1 1 20 CYS H H 2.400 3.679 2.066 1.00 . A A . 20 CYS H 1 1 10 5514 1 1 20 CYS HA H 2.560 1.083 3.202 1.00 . A A . 20 CYS HA 1 1 10 5515 1 1 20 CYS HB2 H 2.419 2.114 0.387 1.00 . A A . 20 CYS HB2 1 1 10 5516 1 1 20 CYS HB3 H 2.709 0.400 0.683 1.00 . A A . 20 CYS HB3 1 1 10 5517 1 1 20 CYS N N 2.800 3.073 2.735 1.00 . A A . 20 CYS N 1 1 10 5518 1 1 20 CYS O O 4.872 0.223 2.782 1.00 . A A . 20 CYS O 1 1 10 5519 1 1 20 CYS SG S 0.503 1.033 1.303 1.00 . A A . 20 CYS SG 1 1 10 5520 1 1 21 ARG C C 7.200 1.897 3.265 1.00 . A A . 21 ARG C 1 1 10 5521 1 1 21 ARG CA C 6.734 2.002 1.816 1.00 . A A . 21 ARG CA 1 1 10 5522 1 1 21 ARG CB C 7.458 3.160 1.122 1.00 . A A . 21 ARG CB 1 1 10 5523 1 1 21 ARG CD C 9.634 4.371 0.759 1.00 . A A . 21 ARG CD 1 1 10 5524 1 1 21 ARG CG C 8.967 3.130 1.320 1.00 . A A . 21 ARG CG 1 1 10 5525 1 1 21 ARG CZ C 9.657 5.526 -1.418 1.00 . A A . 21 ARG CZ 1 1 10 5526 1 1 21 ARG H H 4.926 3.042 1.441 1.00 . A A . 21 ARG H 1 1 10 5527 1 1 21 ARG HA H 6.965 1.081 1.303 1.00 . A A . 21 ARG HA 1 1 10 5528 1 1 21 ARG HB2 H 7.254 3.113 0.062 1.00 . A A . 21 ARG HB2 1 1 10 5529 1 1 21 ARG HB3 H 7.080 4.090 1.511 1.00 . A A . 21 ARG HB3 1 1 10 5530 1 1 21 ARG HD2 H 9.117 5.232 1.154 1.00 . A A . 21 ARG HD2 1 1 10 5531 1 1 21 ARG HD3 H 10.659 4.390 1.102 1.00 . A A . 21 ARG HD3 1 1 10 5532 1 1 21 ARG HE H 9.635 3.539 -1.179 1.00 . A A . 21 ARG HE 1 1 10 5533 1 1 21 ARG HG2 H 9.203 3.077 2.370 1.00 . A A . 21 ARG HG2 1 1 10 5534 1 1 21 ARG HG3 H 9.368 2.274 0.819 1.00 . A A . 21 ARG HG3 1 1 10 5535 1 1 21 ARG HH11 H 9.547 6.794 0.172 1.00 . A A . 21 ARG HH11 1 1 10 5536 1 1 21 ARG HH12 H 9.628 7.545 -1.371 1.00 . A A . 21 ARG HH12 1 1 10 5537 1 1 21 ARG HH21 H 9.763 4.583 -3.207 1.00 . A A . 21 ARG HH21 1 1 10 5538 1 1 21 ARG HH22 H 9.753 6.314 -3.282 1.00 . A A . 21 ARG HH22 1 1 10 5539 1 1 21 ARG N N 5.290 2.191 1.783 1.00 . A A . 21 ARG N 1 1 10 5540 1 1 21 ARG NE N 9.627 4.402 -0.703 1.00 . A A . 21 ARG NE 1 1 10 5541 1 1 21 ARG NH1 N 9.606 6.710 -0.817 1.00 . A A . 21 ARG NH1 1 1 10 5542 1 1 21 ARG NH2 N 9.730 5.470 -2.742 1.00 . A A . 21 ARG NH2 1 1 10 5543 1 1 21 ARG O O 7.925 0.976 3.634 1.00 . A A . 21 ARG O 1 1 10 5544 1 1 22 LYS C C 6.595 1.645 6.233 1.00 . A A . 22 LYS C 1 1 10 5545 1 1 22 LYS CA C 7.088 2.890 5.497 1.00 . A A . 22 LYS CA 1 1 10 5546 1 1 22 LYS CB C 6.476 4.143 6.126 1.00 . A A . 22 LYS CB 1 1 10 5547 1 1 22 LYS CD C 6.367 5.727 8.071 1.00 . A A . 22 LYS CD 1 1 10 5548 1 1 22 LYS CE C 6.245 6.880 7.084 1.00 . A A . 22 LYS CE 1 1 10 5549 1 1 22 LYS CG C 7.089 4.536 7.460 1.00 . A A . 22 LYS CG 1 1 10 5550 1 1 22 LYS H H 6.129 3.526 3.723 1.00 . A A . 22 LYS H 1 1 10 5551 1 1 22 LYS HA H 8.167 2.942 5.573 1.00 . A A . 22 LYS HA 1 1 10 5552 1 1 22 LYS HB2 H 6.630 4.953 5.431 1.00 . A A . 22 LYS HB2 1 1 10 5553 1 1 22 LYS HB3 H 5.410 3.996 6.259 1.00 . A A . 22 LYS HB3 1 1 10 5554 1 1 22 LYS HD2 H 5.377 5.419 8.371 1.00 . A A . 22 LYS HD2 1 1 10 5555 1 1 22 LYS HD3 H 6.919 6.063 8.937 1.00 . A A . 22 LYS HD3 1 1 10 5556 1 1 22 LYS HE2 H 5.685 6.575 6.217 1.00 . A A . 22 LYS HE2 1 1 10 5557 1 1 22 LYS HE3 H 5.705 7.677 7.575 1.00 . A A . 22 LYS HE3 1 1 10 5558 1 1 22 LYS HG2 H 7.020 3.699 8.140 1.00 . A A . 22 LYS HG2 1 1 10 5559 1 1 22 LYS HG3 H 8.127 4.795 7.307 1.00 . A A . 22 LYS HG3 1 1 10 5560 1 1 22 LYS HZ1 H 7.438 8.245 6.054 1.00 . A A . 22 LYS HZ1 1 1 10 5561 1 1 22 LYS HZ2 H 8.096 6.692 6.130 1.00 . A A . 22 LYS HZ2 1 1 10 5562 1 1 22 LYS HZ3 H 8.130 7.693 7.495 1.00 . A A . 22 LYS HZ3 1 1 10 5563 1 1 22 LYS N N 6.732 2.833 4.084 1.00 . A A . 22 LYS N 1 1 10 5564 1 1 22 LYS NZ N 7.569 7.412 6.663 1.00 . A A . 22 LYS NZ 1 1 10 5565 1 1 22 LYS O O 7.179 1.221 7.231 1.00 . A A . 22 LYS O 1 1 10 5566 1 1 23 GLN C C 5.701 -1.376 5.958 1.00 . A A . 23 GLN C 1 1 10 5567 1 1 23 GLN CA C 4.922 -0.120 6.325 1.00 . A A . 23 GLN CA 1 1 10 5568 1 1 23 GLN CB C 3.463 -0.266 5.892 1.00 . A A . 23 GLN CB 1 1 10 5569 1 1 23 GLN CD C 1.105 0.611 6.124 1.00 . A A . 23 GLN CD 1 1 10 5570 1 1 23 GLN CG C 2.508 0.599 6.695 1.00 . A A . 23 GLN CG 1 1 10 5571 1 1 23 GLN H H 5.076 1.456 4.945 1.00 . A A . 23 GLN H 1 1 10 5572 1 1 23 GLN HA H 4.955 -0.012 7.405 1.00 . A A . 23 GLN HA 1 1 10 5573 1 1 23 GLN HB2 H 3.384 0.011 4.852 1.00 . A A . 23 GLN HB2 1 1 10 5574 1 1 23 GLN HB3 H 3.149 -1.292 5.996 1.00 . A A . 23 GLN HB3 1 1 10 5575 1 1 23 GLN HE21 H 0.639 -1.054 7.125 1.00 . A A . 23 GLN HE21 1 1 10 5576 1 1 23 GLN HE22 H -0.610 -0.378 6.142 1.00 . A A . 23 GLN HE22 1 1 10 5577 1 1 23 GLN HG2 H 2.474 0.212 7.672 1.00 . A A . 23 GLN HG2 1 1 10 5578 1 1 23 GLN HG3 H 2.878 1.613 6.723 1.00 . A A . 23 GLN HG3 1 1 10 5579 1 1 23 GLN N N 5.510 1.070 5.734 1.00 . A A . 23 GLN N 1 1 10 5580 1 1 23 GLN NE2 N 0.301 -0.371 6.502 1.00 . A A . 23 GLN NE2 1 1 10 5581 1 1 23 GLN O O 6.257 -2.042 6.831 1.00 . A A . 23 GLN O 1 1 10 5582 1 1 23 GLN OE1 O 0.750 1.486 5.340 1.00 . A A . 23 GLN OE1 1 1 10 5583 1 1 24 THR C C 7.686 -2.743 3.531 1.00 . A A . 24 THR C 1 1 10 5584 1 1 24 THR CA C 6.349 -2.951 4.244 1.00 . A A . 24 THR CA 1 1 10 5585 1 1 24 THR CB C 5.386 -3.739 3.337 1.00 . A A . 24 THR CB 1 1 10 5586 1 1 24 THR CG2 C 4.244 -4.337 4.145 1.00 . A A . 24 THR CG2 1 1 10 5587 1 1 24 THR H H 5.290 -1.134 4.010 1.00 . A A . 24 THR H 1 1 10 5588 1 1 24 THR HA H 6.554 -3.561 5.118 1.00 . A A . 24 THR HA 1 1 10 5589 1 1 24 THR HB H 5.917 -4.557 2.875 1.00 . A A . 24 THR HB 1 1 10 5590 1 1 24 THR HG1 H 4.713 -3.380 1.514 1.00 . A A . 24 THR HG1 1 1 10 5591 1 1 24 THR HG21 H 3.586 -4.883 3.485 1.00 . A A . 24 THR HG21 1 1 10 5592 1 1 24 THR HG22 H 3.690 -3.546 4.630 1.00 . A A . 24 THR HG22 1 1 10 5593 1 1 24 THR HG23 H 4.641 -5.010 4.892 1.00 . A A . 24 THR HG23 1 1 10 5594 1 1 24 THR N N 5.746 -1.700 4.676 1.00 . A A . 24 THR N 1 1 10 5595 1 1 24 THR O O 8.576 -3.592 3.617 1.00 . A A . 24 THR O 1 1 10 5596 1 1 24 THR OG1 O 4.860 -2.882 2.315 1.00 . A A . 24 THR OG1 1 1 10 5597 1 1 25 GLY C C 8.787 -0.840 0.705 1.00 . A A . 25 GLY C 1 1 10 5598 1 1 25 GLY CA C 9.059 -1.370 2.099 1.00 . A A . 25 GLY CA 1 1 10 5599 1 1 25 GLY H H 7.124 -0.940 2.832 1.00 . A A . 25 GLY H 1 1 10 5600 1 1 25 GLY HA2 H 9.656 -0.643 2.628 1.00 . A A . 25 GLY HA2 1 1 10 5601 1 1 25 GLY HA3 H 9.636 -2.283 2.006 1.00 . A A . 25 GLY HA3 1 1 10 5602 1 1 25 GLY N N 7.845 -1.608 2.860 1.00 . A A . 25 GLY N 1 1 10 5603 1 1 25 GLY O O 9.407 0.131 0.272 1.00 . A A . 25 GLY O 1 1 10 5604 1 1 26 CYS C C 6.361 -0.110 -1.404 1.00 . A A . 26 CYS C 1 1 10 5605 1 1 26 CYS CA C 7.542 -1.076 -1.372 1.00 . A A . 26 CYS CA 1 1 10 5606 1 1 26 CYS CB C 7.225 -2.311 -2.219 1.00 . A A . 26 CYS CB 1 1 10 5607 1 1 26 CYS H H 7.382 -2.232 0.394 1.00 . A A . 26 CYS H 1 1 10 5608 1 1 26 CYS HA H 8.418 -0.603 -1.787 1.00 . A A . 26 CYS HA 1 1 10 5609 1 1 26 CYS HB2 H 6.322 -2.731 -1.851 1.00 . A A . 26 CYS HB2 1 1 10 5610 1 1 26 CYS HB3 H 7.082 -2.009 -3.248 1.00 . A A . 26 CYS HB3 1 1 10 5611 1 1 26 CYS N N 7.856 -1.467 -0.002 1.00 . A A . 26 CYS N 1 1 10 5612 1 1 26 CYS O O 5.424 -0.236 -0.616 1.00 . A A . 26 CYS O 1 1 10 5613 1 1 26 CYS SG S 8.522 -3.591 -2.192 1.00 . A A . 26 CYS SG 1 1 10 5614 1 1 27 PRO C C 4.165 1.452 -3.301 1.00 . A A . 27 PRO C 1 1 10 5615 1 1 27 PRO CA C 5.351 1.889 -2.441 1.00 . A A . 27 PRO CA 1 1 10 5616 1 1 27 PRO CB C 6.106 3.025 -3.120 1.00 . A A . 27 PRO CB 1 1 10 5617 1 1 27 PRO CD C 7.442 1.048 -3.345 1.00 . A A . 27 PRO CD 1 1 10 5618 1 1 27 PRO CG C 7.048 2.326 -4.039 1.00 . A A . 27 PRO CG 1 1 10 5619 1 1 27 PRO HA H 4.997 2.217 -1.474 1.00 . A A . 27 PRO HA 1 1 10 5620 1 1 27 PRO HB2 H 5.429 3.676 -3.658 1.00 . A A . 27 PRO HB2 1 1 10 5621 1 1 27 PRO HB3 H 6.642 3.595 -2.377 1.00 . A A . 27 PRO HB3 1 1 10 5622 1 1 27 PRO HD2 H 7.454 0.226 -4.046 1.00 . A A . 27 PRO HD2 1 1 10 5623 1 1 27 PRO HD3 H 8.409 1.165 -2.881 1.00 . A A . 27 PRO HD3 1 1 10 5624 1 1 27 PRO HG2 H 6.553 2.107 -4.974 1.00 . A A . 27 PRO HG2 1 1 10 5625 1 1 27 PRO HG3 H 7.918 2.942 -4.210 1.00 . A A . 27 PRO HG3 1 1 10 5626 1 1 27 PRO N N 6.387 0.861 -2.330 1.00 . A A . 27 PRO N 1 1 10 5627 1 1 27 PRO O O 3.439 2.283 -3.836 1.00 . A A . 27 PRO O 1 1 10 5628 1 1 28 ASN C C 1.599 -0.412 -3.374 1.00 . A A . 28 ASN C 1 1 10 5629 1 1 28 ASN CA C 2.861 -0.373 -4.222 1.00 . A A . 28 ASN CA 1 1 10 5630 1 1 28 ASN CB C 3.169 -1.776 -4.761 1.00 . A A . 28 ASN CB 1 1 10 5631 1 1 28 ASN CG C 4.252 -1.787 -5.825 1.00 . A A . 28 ASN CG 1 1 10 5632 1 1 28 ASN H H 4.575 -0.487 -3.012 1.00 . A A . 28 ASN H 1 1 10 5633 1 1 28 ASN HA H 2.695 0.288 -5.070 1.00 . A A . 28 ASN HA 1 1 10 5634 1 1 28 ASN HB2 H 3.494 -2.402 -3.945 1.00 . A A . 28 ASN HB2 1 1 10 5635 1 1 28 ASN HB3 H 2.280 -2.198 -5.193 1.00 . A A . 28 ASN HB3 1 1 10 5636 1 1 28 ASN HD21 H 3.338 -3.290 -6.774 1.00 . A A . 28 ASN HD21 1 1 10 5637 1 1 28 ASN HD22 H 4.801 -2.712 -7.487 1.00 . A A . 28 ASN HD22 1 1 10 5638 1 1 28 ASN N N 3.980 0.152 -3.443 1.00 . A A . 28 ASN N 1 1 10 5639 1 1 28 ASN ND2 N 4.114 -2.685 -6.788 1.00 . A A . 28 ASN ND2 1 1 10 5640 1 1 28 ASN O O 1.475 -1.243 -2.470 1.00 . A A . 28 ASN O 1 1 10 5641 1 1 28 ASN OD1 O 5.197 -0.996 -5.788 1.00 . A A . 28 ASN OD1 1 1 10 5642 1 1 29 ALA C C -1.748 1.042 -3.736 1.00 . A A . 29 ALA C 1 1 10 5643 1 1 29 ALA CA C -0.565 0.586 -2.887 1.00 . A A . 29 ALA CA 1 1 10 5644 1 1 29 ALA CB C -0.365 1.561 -1.740 1.00 . A A . 29 ALA CB 1 1 10 5645 1 1 29 ALA H H 0.810 1.123 -4.404 1.00 . A A . 29 ALA H 1 1 10 5646 1 1 29 ALA HA H -0.801 -0.382 -2.467 1.00 . A A . 29 ALA HA 1 1 10 5647 1 1 29 ALA HB1 H -1.110 1.378 -0.984 1.00 . A A . 29 ALA HB1 1 1 10 5648 1 1 29 ALA HB2 H -0.457 2.581 -2.097 1.00 . A A . 29 ALA HB2 1 1 10 5649 1 1 29 ALA HB3 H 0.619 1.424 -1.333 1.00 . A A . 29 ALA HB3 1 1 10 5650 1 1 29 ALA N N 0.660 0.482 -3.669 1.00 . A A . 29 ALA N 1 1 10 5651 1 1 29 ALA O O -1.573 1.641 -4.797 1.00 . A A . 29 ALA O 1 1 10 5652 1 1 30 LYS C C -5.205 1.472 -2.736 1.00 . A A . 30 LYS C 1 1 10 5653 1 1 30 LYS CA C -4.177 1.269 -3.841 1.00 . A A . 30 LYS CA 1 1 10 5654 1 1 30 LYS CB C -4.749 0.327 -4.904 1.00 . A A . 30 LYS CB 1 1 10 5655 1 1 30 LYS CD C -6.703 -0.137 -6.429 1.00 . A A . 30 LYS CD 1 1 10 5656 1 1 30 LYS CE C -7.977 0.445 -7.026 1.00 . A A . 30 LYS CE 1 1 10 5657 1 1 30 LYS CG C -5.988 0.893 -5.579 1.00 . A A . 30 LYS CG 1 1 10 5658 1 1 30 LYS H H -3.011 0.246 -2.405 1.00 . A A . 30 LYS H 1 1 10 5659 1 1 30 LYS HA H -3.959 2.231 -4.296 1.00 . A A . 30 LYS HA 1 1 10 5660 1 1 30 LYS HB2 H -3.996 0.157 -5.661 1.00 . A A . 30 LYS HB2 1 1 10 5661 1 1 30 LYS HB3 H -5.003 -0.618 -4.440 1.00 . A A . 30 LYS HB3 1 1 10 5662 1 1 30 LYS HD2 H -6.049 -0.449 -7.230 1.00 . A A . 30 LYS HD2 1 1 10 5663 1 1 30 LYS HD3 H -6.961 -0.989 -5.815 1.00 . A A . 30 LYS HD3 1 1 10 5664 1 1 30 LYS HE2 H -8.600 0.825 -6.227 1.00 . A A . 30 LYS HE2 1 1 10 5665 1 1 30 LYS HE3 H -7.712 1.256 -7.690 1.00 . A A . 30 LYS HE3 1 1 10 5666 1 1 30 LYS HG2 H -6.684 1.242 -4.836 1.00 . A A . 30 LYS HG2 1 1 10 5667 1 1 30 LYS HG3 H -5.690 1.719 -6.209 1.00 . A A . 30 LYS HG3 1 1 10 5668 1 1 30 LYS HZ1 H -8.183 -0.941 -8.575 1.00 . A A . 30 LYS HZ1 1 1 10 5669 1 1 30 LYS HZ2 H -9.613 -0.130 -8.180 1.00 . A A . 30 LYS HZ2 1 1 10 5670 1 1 30 LYS HZ3 H -9.031 -1.353 -7.167 1.00 . A A . 30 LYS HZ3 1 1 10 5671 1 1 30 LYS N N -2.951 0.742 -3.257 1.00 . A A . 30 LYS N 1 1 10 5672 1 1 30 LYS NZ N -8.753 -0.565 -7.789 1.00 . A A . 30 LYS NZ 1 1 10 5673 1 1 30 LYS O O -5.222 0.728 -1.761 1.00 . A A . 30 LYS O 1 1 10 5674 1 1 31 CYS C C -8.344 1.993 -2.149 1.00 . A A . 31 CYS C 1 1 10 5675 1 1 31 CYS CA C -7.057 2.764 -1.870 1.00 . A A . 31 CYS CA 1 1 10 5676 1 1 31 CYS CB C -7.334 4.268 -1.814 1.00 . A A . 31 CYS CB 1 1 10 5677 1 1 31 CYS H H -5.987 3.039 -3.683 1.00 . A A . 31 CYS H 1 1 10 5678 1 1 31 CYS HA H -6.687 2.464 -0.917 1.00 . A A . 31 CYS HA 1 1 10 5679 1 1 31 CYS HB2 H -8.063 4.475 -1.048 1.00 . A A . 31 CYS HB2 1 1 10 5680 1 1 31 CYS HB3 H -6.426 4.771 -1.572 1.00 . A A . 31 CYS HB3 1 1 10 5681 1 1 31 CYS N N -6.051 2.476 -2.879 1.00 . A A . 31 CYS N 1 1 10 5682 1 1 31 CYS O O -8.965 2.154 -3.199 1.00 . A A . 31 CYS O 1 1 10 5683 1 1 31 CYS SG S -7.913 4.986 -3.385 1.00 . A A . 31 CYS SG 1 1 10 5684 1 1 32 ILE C C -11.054 1.045 -0.485 1.00 . A A . 32 ILE C 1 1 10 5685 1 1 32 ILE CA C -9.973 0.389 -1.337 1.00 . A A . 32 ILE CA 1 1 10 5686 1 1 32 ILE CB C -9.816 -1.107 -0.946 1.00 . A A . 32 ILE CB 1 1 10 5687 1 1 32 ILE CD1 C -7.507 -1.507 -1.985 1.00 . A A . 32 ILE CD1 1 1 10 5688 1 1 32 ILE CG1 C -8.974 -1.869 -1.981 1.00 . A A . 32 ILE CG1 1 1 10 5689 1 1 32 ILE CG2 C -11.178 -1.776 -0.807 1.00 . A A . 32 ILE CG2 1 1 10 5690 1 1 32 ILE H H -8.198 1.028 -0.397 1.00 . A A . 32 ILE H 1 1 10 5691 1 1 32 ILE HA H -10.296 0.415 -2.377 1.00 . A A . 32 ILE HA 1 1 10 5692 1 1 32 ILE HB H -9.325 -1.154 0.015 1.00 . A A . 32 ILE HB 1 1 10 5693 1 1 32 ILE HD11 H -7.362 -0.599 -2.551 1.00 . A A . 32 ILE HD11 1 1 10 5694 1 1 32 ILE HD12 H -6.944 -2.307 -2.443 1.00 . A A . 32 ILE HD12 1 1 10 5695 1 1 32 ILE HD13 H -7.159 -1.360 -0.972 1.00 . A A . 32 ILE HD13 1 1 10 5696 1 1 32 ILE HG12 H -9.035 -2.931 -1.781 1.00 . A A . 32 ILE HG12 1 1 10 5697 1 1 32 ILE HG13 H -9.365 -1.677 -2.971 1.00 . A A . 32 ILE HG13 1 1 10 5698 1 1 32 ILE HG21 H -11.811 -1.506 -1.642 1.00 . A A . 32 ILE HG21 1 1 10 5699 1 1 32 ILE HG22 H -11.646 -1.465 0.114 1.00 . A A . 32 ILE HG22 1 1 10 5700 1 1 32 ILE HG23 H -11.060 -2.852 -0.786 1.00 . A A . 32 ILE HG23 1 1 10 5701 1 1 32 ILE N N -8.732 1.137 -1.214 1.00 . A A . 32 ILE N 1 1 10 5702 1 1 32 ILE O O -11.096 0.851 0.733 1.00 . A A . 32 ILE O 1 1 10 5703 1 1 33 ASN C C -12.959 3.099 0.793 1.00 . A A . 33 ASN C 1 1 10 5704 1 1 33 ASN CA C -13.068 2.551 -0.637 1.00 . A A . 33 ASN CA 1 1 10 5705 1 1 33 ASN CB C -14.293 1.622 -0.772 1.00 . A A . 33 ASN CB 1 1 10 5706 1 1 33 ASN CG C -14.257 0.369 0.095 1.00 . A A . 33 ASN CG 1 1 10 5707 1 1 33 ASN H H -11.661 2.031 -2.119 1.00 . A A . 33 ASN H 1 1 10 5708 1 1 33 ASN HA H -13.243 3.400 -1.281 1.00 . A A . 33 ASN HA 1 1 10 5709 1 1 33 ASN HB2 H -15.181 2.178 -0.509 1.00 . A A . 33 ASN HB2 1 1 10 5710 1 1 33 ASN HB3 H -14.372 1.320 -1.808 1.00 . A A . 33 ASN HB3 1 1 10 5711 1 1 33 ASN HD21 H -15.172 -0.678 -1.342 1.00 . A A . 33 ASN HD21 1 1 10 5712 1 1 33 ASN HD22 H -14.777 -1.542 0.100 1.00 . A A . 33 ASN HD22 1 1 10 5713 1 1 33 ASN N N -11.842 1.897 -1.161 1.00 . A A . 33 ASN N 1 1 10 5714 1 1 33 ASN ND2 N -14.788 -0.722 -0.437 1.00 . A A . 33 ASN ND2 1 1 10 5715 1 1 33 ASN O O -13.980 3.405 1.417 1.00 . A A . 33 ASN O 1 1 10 5716 1 1 33 ASN OD1 O -13.771 0.372 1.224 1.00 . A A . 33 ASN OD1 1 1 10 5717 1 1 34 LYS C C -9.995 3.582 2.953 1.00 . A A . 34 LYS C 1 1 10 5718 1 1 34 LYS CA C -11.474 3.719 2.634 1.00 . A A . 34 LYS CA 1 1 10 5719 1 1 34 LYS CB C -12.272 2.898 3.656 1.00 . A A . 34 LYS CB 1 1 10 5720 1 1 34 LYS CD C -12.611 2.250 6.059 1.00 . A A . 34 LYS CD 1 1 10 5721 1 1 34 LYS CE C -12.152 2.468 7.491 1.00 . A A . 34 LYS CE 1 1 10 5722 1 1 34 LYS CG C -11.893 3.183 5.101 1.00 . A A . 34 LYS CG 1 1 10 5723 1 1 34 LYS H H -10.961 3.080 0.711 1.00 . A A . 34 LYS H 1 1 10 5724 1 1 34 LYS HA H -11.762 4.747 2.712 1.00 . A A . 34 LYS HA 1 1 10 5725 1 1 34 LYS HB2 H -13.321 3.117 3.545 1.00 . A A . 34 LYS HB2 1 1 10 5726 1 1 34 LYS HB3 H -12.107 1.848 3.458 1.00 . A A . 34 LYS HB3 1 1 10 5727 1 1 34 LYS HD2 H -13.673 2.435 6.001 1.00 . A A . 34 LYS HD2 1 1 10 5728 1 1 34 LYS HD3 H -12.405 1.225 5.780 1.00 . A A . 34 LYS HD3 1 1 10 5729 1 1 34 LYS HE2 H -11.094 2.257 7.556 1.00 . A A . 34 LYS HE2 1 1 10 5730 1 1 34 LYS HE3 H -12.331 3.499 7.765 1.00 . A A . 34 LYS HE3 1 1 10 5731 1 1 34 LYS HG2 H -10.830 3.048 5.232 1.00 . A A . 34 LYS HG2 1 1 10 5732 1 1 34 LYS HG3 H -12.161 4.202 5.338 1.00 . A A . 34 LYS HG3 1 1 10 5733 1 1 34 LYS HZ1 H -12.709 0.587 8.209 1.00 . A A . 34 LYS HZ1 1 1 10 5734 1 1 34 LYS HZ2 H -13.897 1.777 8.409 1.00 . A A . 34 LYS HZ2 1 1 10 5735 1 1 34 LYS HZ3 H -12.537 1.763 9.412 1.00 . A A . 34 LYS HZ3 1 1 10 5736 1 1 34 LYS N N -11.734 3.275 1.275 1.00 . A A . 34 LYS N 1 1 10 5737 1 1 34 LYS NZ N -12.874 1.588 8.444 1.00 . A A . 34 LYS NZ 1 1 10 5738 1 1 34 LYS O O -9.330 4.552 3.310 1.00 . A A . 34 LYS O 1 1 10 5739 1 1 35 SER C C -7.186 1.808 2.095 1.00 . A A . 35 SER C 1 1 10 5740 1 1 35 SER CA C -8.132 2.080 3.256 1.00 . A A . 35 SER CA 1 1 10 5741 1 1 35 SER CB C -8.163 0.889 4.219 1.00 . A A . 35 SER CB 1 1 10 5742 1 1 35 SER H H -10.050 1.634 2.492 1.00 . A A . 35 SER H 1 1 10 5743 1 1 35 SER HA H -7.756 2.933 3.811 1.00 . A A . 35 SER HA 1 1 10 5744 1 1 35 SER HB2 H -7.165 0.494 4.360 1.00 . A A . 35 SER HB2 1 1 10 5745 1 1 35 SER HB3 H -8.552 1.217 5.172 1.00 . A A . 35 SER HB3 1 1 10 5746 1 1 35 SER HG H -8.870 -0.941 4.246 1.00 . A A . 35 SER HG 1 1 10 5747 1 1 35 SER N N -9.478 2.376 2.802 1.00 . A A . 35 SER N 1 1 10 5748 1 1 35 SER O O -7.481 1.010 1.206 1.00 . A A . 35 SER O 1 1 10 5749 1 1 35 SER OG O -9.001 -0.146 3.724 1.00 . A A . 35 SER OG 1 1 10 5750 1 1 36 CYS C C -4.281 0.965 1.423 1.00 . A A . 36 CYS C 1 1 10 5751 1 1 36 CYS CA C -5.019 2.256 1.102 1.00 . A A . 36 CYS CA 1 1 10 5752 1 1 36 CYS CB C -4.039 3.430 1.043 1.00 . A A . 36 CYS CB 1 1 10 5753 1 1 36 CYS H H -5.874 3.137 2.824 1.00 . A A . 36 CYS H 1 1 10 5754 1 1 36 CYS HA H -5.480 2.153 0.149 1.00 . A A . 36 CYS HA 1 1 10 5755 1 1 36 CYS HB2 H -3.652 3.622 2.032 1.00 . A A . 36 CYS HB2 1 1 10 5756 1 1 36 CYS HB3 H -3.223 3.174 0.382 1.00 . A A . 36 CYS HB3 1 1 10 5757 1 1 36 CYS N N -6.054 2.497 2.094 1.00 . A A . 36 CYS N 1 1 10 5758 1 1 36 CYS O O -3.410 0.930 2.286 1.00 . A A . 36 CYS O 1 1 10 5759 1 1 36 CYS SG S -4.781 4.975 0.423 1.00 . A A . 36 CYS SG 1 1 10 5760 1 1 37 LYS C C -2.797 -1.534 0.119 1.00 . A A . 37 LYS C 1 1 10 5761 1 1 37 LYS CA C -4.057 -1.395 0.954 1.00 . A A . 37 LYS CA 1 1 10 5762 1 1 37 LYS CB C -5.045 -2.515 0.612 1.00 . A A . 37 LYS CB 1 1 10 5763 1 1 37 LYS CD C -5.506 -4.994 0.530 1.00 . A A . 37 LYS CD 1 1 10 5764 1 1 37 LYS CE C -5.905 -4.987 -0.940 1.00 . A A . 37 LYS CE 1 1 10 5765 1 1 37 LYS CG C -4.487 -3.909 0.852 1.00 . A A . 37 LYS CG 1 1 10 5766 1 1 37 LYS H H -5.377 -0.011 0.063 1.00 . A A . 37 LYS H 1 1 10 5767 1 1 37 LYS HA H -3.804 -1.480 2.007 1.00 . A A . 37 LYS HA 1 1 10 5768 1 1 37 LYS HB2 H -5.932 -2.390 1.219 1.00 . A A . 37 LYS HB2 1 1 10 5769 1 1 37 LYS HB3 H -5.315 -2.422 -0.428 1.00 . A A . 37 LYS HB3 1 1 10 5770 1 1 37 LYS HD2 H -5.075 -5.955 0.766 1.00 . A A . 37 LYS HD2 1 1 10 5771 1 1 37 LYS HD3 H -6.389 -4.839 1.134 1.00 . A A . 37 LYS HD3 1 1 10 5772 1 1 37 LYS HE2 H -6.425 -4.069 -1.160 1.00 . A A . 37 LYS HE2 1 1 10 5773 1 1 37 LYS HE3 H -5.014 -5.053 -1.550 1.00 . A A . 37 LYS HE3 1 1 10 5774 1 1 37 LYS HG2 H -3.617 -4.059 0.230 1.00 . A A . 37 LYS HG2 1 1 10 5775 1 1 37 LYS HG3 H -4.204 -3.996 1.891 1.00 . A A . 37 LYS HG3 1 1 10 5776 1 1 37 LYS HZ1 H -7.675 -6.079 -0.709 1.00 . A A . 37 LYS HZ1 1 1 10 5777 1 1 37 LYS HZ2 H -6.324 -7.032 -1.080 1.00 . A A . 37 LYS HZ2 1 1 10 5778 1 1 37 LYS HZ3 H -7.054 -6.095 -2.282 1.00 . A A . 37 LYS HZ3 1 1 10 5779 1 1 37 LYS N N -4.659 -0.097 0.736 1.00 . A A . 37 LYS N 1 1 10 5780 1 1 37 LYS NZ N -6.801 -6.127 -1.274 1.00 . A A . 37 LYS NZ 1 1 10 5781 1 1 37 LYS O O -2.807 -1.310 -1.095 1.00 . A A . 37 LYS O 1 1 10 5782 1 1 38 CYS C C -0.469 -3.512 -0.505 1.00 . A A . 38 CYS C 1 1 10 5783 1 1 38 CYS CA C -0.452 -2.118 0.114 1.00 . A A . 38 CYS CA 1 1 10 5784 1 1 38 CYS CB C 0.687 -1.998 1.123 1.00 . A A . 38 CYS CB 1 1 10 5785 1 1 38 CYS H H -1.786 -2.046 1.751 1.00 . A A . 38 CYS H 1 1 10 5786 1 1 38 CYS HA H -0.316 -1.378 -0.662 1.00 . A A . 38 CYS HA 1 1 10 5787 1 1 38 CYS HB2 H 0.809 -2.933 1.657 1.00 . A A . 38 CYS HB2 1 1 10 5788 1 1 38 CYS HB3 H 1.601 -1.767 0.597 1.00 . A A . 38 CYS HB3 1 1 10 5789 1 1 38 CYS N N -1.713 -1.879 0.782 1.00 . A A . 38 CYS N 1 1 10 5790 1 1 38 CYS O O -1.099 -4.424 0.036 1.00 . A A . 38 CYS O 1 1 10 5791 1 1 38 CYS SG S 0.422 -0.694 2.371 1.00 . A A . 38 CYS SG 1 1 10 5792 1 1 39 TYR C C 1.144 -5.992 -1.717 1.00 . A A . 39 TYR C 1 1 10 5793 1 1 39 TYR CA C 0.203 -4.960 -2.346 1.00 . A A . 39 TYR CA 1 1 10 5794 1 1 39 TYR CB C 0.571 -4.765 -3.818 1.00 . A A . 39 TYR CB 1 1 10 5795 1 1 39 TYR CD1 C -1.581 -4.732 -5.138 1.00 . A A . 39 TYR CD1 1 1 10 5796 1 1 39 TYR CD2 C -0.359 -2.698 -4.929 1.00 . A A . 39 TYR CD2 1 1 10 5797 1 1 39 TYR CE1 C -2.534 -4.086 -5.903 1.00 . A A . 39 TYR CE1 1 1 10 5798 1 1 39 TYR CE2 C -1.304 -2.046 -5.696 1.00 . A A . 39 TYR CE2 1 1 10 5799 1 1 39 TYR CG C -0.478 -4.050 -4.639 1.00 . A A . 39 TYR CG 1 1 10 5800 1 1 39 TYR CZ C -2.391 -2.745 -6.178 1.00 . A A . 39 TYR CZ 1 1 10 5801 1 1 39 TYR H H 0.712 -2.921 -2.015 1.00 . A A . 39 TYR H 1 1 10 5802 1 1 39 TYR HA H -0.805 -5.359 -2.298 1.00 . A A . 39 TYR HA 1 1 10 5803 1 1 39 TYR HB2 H 1.489 -4.196 -3.871 1.00 . A A . 39 TYR HB2 1 1 10 5804 1 1 39 TYR HB3 H 0.741 -5.732 -4.281 1.00 . A A . 39 TYR HB3 1 1 10 5805 1 1 39 TYR HD1 H -1.694 -5.785 -4.921 1.00 . A A . 39 TYR HD1 1 1 10 5806 1 1 39 TYR HD2 H 0.470 -2.163 -4.555 1.00 . A A . 39 TYR HD2 1 1 10 5807 1 1 39 TYR HE1 H -3.385 -4.633 -6.280 1.00 . A A . 39 TYR HE1 1 1 10 5808 1 1 39 TYR HE2 H -1.193 -0.993 -5.910 1.00 . A A . 39 TYR HE2 1 1 10 5809 1 1 39 TYR HH H -3.049 -2.111 -7.872 1.00 . A A . 39 TYR HH 1 1 10 5810 1 1 39 TYR N N 0.219 -3.684 -1.628 1.00 . A A . 39 TYR N 1 1 10 5811 1 1 39 TYR O O 1.573 -6.935 -2.383 1.00 . A A . 39 TYR O 1 1 10 5812 1 1 39 TYR OH O -3.329 -2.098 -6.954 1.00 . A A . 39 TYR OH 1 1 10 5813 1 1 40 GLY C C 3.689 -6.830 -0.277 1.00 . A A . 40 GLY C 1 1 10 5814 1 1 40 GLY CA C 2.286 -6.747 0.284 1.00 . A A . 40 GLY CA 1 1 10 5815 1 1 40 GLY H H 1.085 -5.065 0.064 1.00 . A A . 40 GLY H 1 1 10 5816 1 1 40 GLY HA2 H 2.346 -6.435 1.316 1.00 . A A . 40 GLY HA2 1 1 10 5817 1 1 40 GLY HA3 H 1.836 -7.730 0.246 1.00 . A A . 40 GLY HA3 1 1 10 5818 1 1 40 GLY N N 1.445 -5.810 -0.435 1.00 . A A . 40 GLY N 1 1 10 5819 1 1 40 GLY O O 4.065 -7.835 -0.878 1.00 . A A . 40 GLY O 1 1 10 5820 1 1 41 CYS C C 6.688 -4.950 0.411 1.00 . A A . 41 CYS C 1 1 10 5821 1 1 41 CYS CA C 5.838 -5.752 -0.558 1.00 . A A . 41 CYS CA 1 1 10 5822 1 1 41 CYS CB C 5.908 -5.150 -1.965 1.00 . A A . 41 CYS CB 1 1 10 5823 1 1 41 CYS H H 4.109 -5.003 0.402 1.00 . A A . 41 CYS H 1 1 10 5824 1 1 41 CYS HA H 6.223 -6.766 -0.587 1.00 . A A . 41 CYS HA 1 1 10 5825 1 1 41 CYS HB2 H 5.214 -5.696 -2.591 1.00 . A A . 41 CYS HB2 1 1 10 5826 1 1 41 CYS HB3 H 5.599 -4.136 -1.937 1.00 . A A . 41 CYS HB3 1 1 10 5827 1 1 41 CYS N N 4.466 -5.781 -0.082 1.00 . A A . 41 CYS N 1 1 10 5828 1 1 41 CYS O O 7.506 -5.556 1.130 1.00 . A A . 41 CYS O 1 1 10 5829 1 1 41 CYS OXT O 6.494 -3.719 0.488 1.00 . A A . 41 CYS OXT 1 1 10 5830 1 1 41 CYS SG S 7.545 -5.277 -2.766 1.00 . A A . 41 CYS SG 1 1 11 5831 1 1 1 TRP C C 1.844 4.176 9.865 1.00 . A A . 1 TRP C 1 1 11 5832 1 1 1 TRP CA C 3.340 4.439 9.928 1.00 . A A . 1 TRP CA 1 1 11 5833 1 1 1 TRP CB C 4.117 3.238 9.375 1.00 . A A . 1 TRP CB 1 1 11 5834 1 1 1 TRP CD1 C 2.935 1.101 10.149 1.00 . A A . 1 TRP CD1 1 1 11 5835 1 1 1 TRP CD2 C 4.895 1.479 11.155 1.00 . A A . 1 TRP CD2 1 1 11 5836 1 1 1 TRP CE2 C 4.352 0.285 11.663 1.00 . A A . 1 TRP CE2 1 1 11 5837 1 1 1 TRP CE3 C 6.128 1.916 11.638 1.00 . A A . 1 TRP CE3 1 1 11 5838 1 1 1 TRP CG C 3.970 1.987 10.189 1.00 . A A . 1 TRP CG 1 1 11 5839 1 1 1 TRP CH2 C 6.207 -0.021 13.084 1.00 . A A . 1 TRP CH2 1 1 11 5840 1 1 1 TRP CZ2 C 5.000 -0.473 12.630 1.00 . A A . 1 TRP CZ2 1 1 11 5841 1 1 1 TRP CZ3 C 6.771 1.162 12.599 1.00 . A A . 1 TRP CZ3 1 1 11 5842 1 1 1 TRP H1 H 4.781 4.836 11.339 1.00 . A A . 1 TRP H1 1 1 11 5843 1 1 1 TRP H2 H 3.440 3.940 11.933 1.00 . A A . 1 TRP H2 1 1 11 5844 1 1 1 TRP H3 H 3.284 5.617 11.604 1.00 . A A . 1 TRP H3 1 1 11 5845 1 1 1 TRP HA H 3.564 5.310 9.328 1.00 . A A . 1 TRP HA 1 1 11 5846 1 1 1 TRP HB2 H 3.778 3.024 8.370 1.00 . A A . 1 TRP HB2 1 1 11 5847 1 1 1 TRP HB3 H 5.167 3.492 9.340 1.00 . A A . 1 TRP HB3 1 1 11 5848 1 1 1 TRP HD1 H 2.070 1.206 9.511 1.00 . A A . 1 TRP HD1 1 1 11 5849 1 1 1 TRP HE1 H 2.553 -0.682 11.190 1.00 . A A . 1 TRP HE1 1 1 11 5850 1 1 1 TRP HE3 H 6.579 2.828 11.275 1.00 . A A . 1 TRP HE3 1 1 11 5851 1 1 1 TRP HH2 H 6.745 -0.579 13.836 1.00 . A A . 1 TRP HH2 1 1 11 5852 1 1 1 TRP HZ2 H 4.579 -1.390 13.015 1.00 . A A . 1 TRP HZ2 1 1 11 5853 1 1 1 TRP HZ3 H 7.727 1.485 12.985 1.00 . A A . 1 TRP HZ3 1 1 11 5854 1 1 1 TRP N N 3.744 4.727 11.318 1.00 . A A . 1 TRP N 1 1 11 5855 1 1 1 TRP NE1 N 3.155 0.076 11.035 1.00 . A A . 1 TRP NE1 1 1 11 5856 1 1 1 TRP O O 1.210 3.903 10.884 1.00 . A A . 1 TRP O 1 1 11 5857 1 1 2 CYS C C -0.560 2.667 8.476 1.00 . A A . 2 CYS C 1 1 11 5858 1 1 2 CYS CA C -0.144 4.134 8.468 1.00 . A A . 2 CYS CA 1 1 11 5859 1 1 2 CYS CB C -0.548 4.809 7.154 1.00 . A A . 2 CYS CB 1 1 11 5860 1 1 2 CYS H H 1.858 4.478 7.889 1.00 . A A . 2 CYS H 1 1 11 5861 1 1 2 CYS HA H -0.645 4.646 9.285 1.00 . A A . 2 CYS HA 1 1 11 5862 1 1 2 CYS HB2 H -0.114 5.799 7.129 1.00 . A A . 2 CYS HB2 1 1 11 5863 1 1 2 CYS HB3 H -0.158 4.239 6.322 1.00 . A A . 2 CYS HB3 1 1 11 5864 1 1 2 CYS N N 1.288 4.260 8.666 1.00 . A A . 2 CYS N 1 1 11 5865 1 1 2 CYS O O -0.553 1.999 7.442 1.00 . A A . 2 CYS O 1 1 11 5866 1 1 2 CYS SG S -2.342 5.007 6.928 1.00 . A A . 2 CYS SG 1 1 11 5867 1 1 3 SER C C -2.846 0.692 9.687 1.00 . A A . 3 SER C 1 1 11 5868 1 1 3 SER CA C -1.326 0.789 9.812 1.00 . A A . 3 SER CA 1 1 11 5869 1 1 3 SER CB C -0.863 0.242 11.168 1.00 . A A . 3 SER CB 1 1 11 5870 1 1 3 SER H H -0.859 2.750 10.454 1.00 . A A . 3 SER H 1 1 11 5871 1 1 3 SER HA H -0.877 0.187 9.030 1.00 . A A . 3 SER HA 1 1 11 5872 1 1 3 SER HB2 H 0.198 0.414 11.275 1.00 . A A . 3 SER HB2 1 1 11 5873 1 1 3 SER HB3 H -1.388 0.752 11.965 1.00 . A A . 3 SER HB3 1 1 11 5874 1 1 3 SER HG H -0.429 -1.638 10.803 1.00 . A A . 3 SER HG 1 1 11 5875 1 1 3 SER N N -0.891 2.168 9.657 1.00 . A A . 3 SER N 1 1 11 5876 1 1 3 SER O O -3.421 -0.400 9.714 1.00 . A A . 3 SER O 1 1 11 5877 1 1 3 SER OG O -1.109 -1.152 11.277 1.00 . A A . 3 SER OG 1 1 11 5878 1 1 4 THR C C -5.349 2.473 8.084 1.00 . A A . 4 THR C 1 1 11 5879 1 1 4 THR CA C -4.938 1.899 9.440 1.00 . A A . 4 THR CA 1 1 11 5880 1 1 4 THR CB C -5.536 2.766 10.566 1.00 . A A . 4 THR CB 1 1 11 5881 1 1 4 THR CG2 C -7.049 2.613 10.623 1.00 . A A . 4 THR CG2 1 1 11 5882 1 1 4 THR H H -3.006 2.690 9.536 1.00 . A A . 4 THR H 1 1 11 5883 1 1 4 THR HA H -5.344 0.896 9.519 1.00 . A A . 4 THR HA 1 1 11 5884 1 1 4 THR HB H -5.308 3.810 10.398 1.00 . A A . 4 THR HB 1 1 11 5885 1 1 4 THR HG1 H -4.105 2.790 11.928 1.00 . A A . 4 THR HG1 1 1 11 5886 1 1 4 THR HG21 H -7.438 3.200 11.442 1.00 . A A . 4 THR HG21 1 1 11 5887 1 1 4 THR HG22 H -7.306 1.574 10.773 1.00 . A A . 4 THR HG22 1 1 11 5888 1 1 4 THR HG23 H -7.476 2.959 9.702 1.00 . A A . 4 THR HG23 1 1 11 5889 1 1 4 THR N N -3.491 1.841 9.550 1.00 . A A . 4 THR N 1 1 11 5890 1 1 4 THR O O -5.964 1.773 7.273 1.00 . A A . 4 THR O 1 1 11 5891 1 1 4 THR OG1 O -4.970 2.385 11.827 1.00 . A A . 4 THR OG1 1 1 11 5892 1 1 5 CYS C C -6.822 4.478 6.343 1.00 . A A . 5 CYS C 1 1 11 5893 1 1 5 CYS CA C -5.313 4.413 6.581 1.00 . A A . 5 CYS CA 1 1 11 5894 1 1 5 CYS CB C -4.628 3.706 5.406 1.00 . A A . 5 CYS CB 1 1 11 5895 1 1 5 CYS H H -4.516 4.241 8.530 1.00 . A A . 5 CYS H 1 1 11 5896 1 1 5 CYS HA H -4.960 5.427 6.644 1.00 . A A . 5 CYS HA 1 1 11 5897 1 1 5 CYS HB2 H -5.013 2.704 5.306 1.00 . A A . 5 CYS HB2 1 1 11 5898 1 1 5 CYS HB3 H -4.847 4.255 4.515 1.00 . A A . 5 CYS HB3 1 1 11 5899 1 1 5 CYS N N -5.003 3.736 7.845 1.00 . A A . 5 CYS N 1 1 11 5900 1 1 5 CYS O O -7.292 4.340 5.211 1.00 . A A . 5 CYS O 1 1 11 5901 1 1 5 CYS SG S -2.816 3.590 5.554 1.00 . A A . 5 CYS SG 1 1 11 5902 1 1 6 LEU C C -9.486 6.174 7.020 1.00 . A A . 6 LEU C 1 1 11 5903 1 1 6 LEU CA C -9.024 4.753 7.327 1.00 . A A . 6 LEU CA 1 1 11 5904 1 1 6 LEU CB C -9.646 4.265 8.639 1.00 . A A . 6 LEU CB 1 1 11 5905 1 1 6 LEU CD1 C -11.686 3.201 7.634 1.00 . A A . 6 LEU CD1 1 1 11 5906 1 1 6 LEU CD2 C -11.677 3.850 10.047 1.00 . A A . 6 LEU CD2 1 1 11 5907 1 1 6 LEU CG C -11.175 4.203 8.656 1.00 . A A . 6 LEU CG 1 1 11 5908 1 1 6 LEU H H -7.146 4.823 8.292 1.00 . A A . 6 LEU H 1 1 11 5909 1 1 6 LEU HA H -9.348 4.103 6.525 1.00 . A A . 6 LEU HA 1 1 11 5910 1 1 6 LEU HB2 H -9.268 3.273 8.837 1.00 . A A . 6 LEU HB2 1 1 11 5911 1 1 6 LEU HB3 H -9.318 4.922 9.434 1.00 . A A . 6 LEU HB3 1 1 11 5912 1 1 6 LEU HD11 H -11.397 3.513 6.642 1.00 . A A . 6 LEU HD11 1 1 11 5913 1 1 6 LEU HD12 H -12.766 3.148 7.685 1.00 . A A . 6 LEU HD12 1 1 11 5914 1 1 6 LEU HD13 H -11.270 2.224 7.840 1.00 . A A . 6 LEU HD13 1 1 11 5915 1 1 6 LEU HD21 H -11.306 2.875 10.333 1.00 . A A . 6 LEU HD21 1 1 11 5916 1 1 6 LEU HD22 H -12.758 3.838 10.050 1.00 . A A . 6 LEU HD22 1 1 11 5917 1 1 6 LEU HD23 H -11.329 4.588 10.756 1.00 . A A . 6 LEU HD23 1 1 11 5918 1 1 6 LEU HG H -11.576 5.172 8.398 1.00 . A A . 6 LEU HG 1 1 11 5919 1 1 6 LEU N N -7.572 4.701 7.411 1.00 . A A . 6 LEU N 1 1 11 5920 1 1 6 LEU O O -10.524 6.383 6.395 1.00 . A A . 6 LEU O 1 1 11 5921 1 1 7 ASP C C -8.345 9.054 5.957 1.00 . A A . 7 ASP C 1 1 11 5922 1 1 7 ASP CA C -9.006 8.554 7.231 1.00 . A A . 7 ASP CA 1 1 11 5923 1 1 7 ASP CB C -8.559 9.410 8.421 1.00 . A A . 7 ASP CB 1 1 11 5924 1 1 7 ASP CG C -7.104 9.198 8.780 1.00 . A A . 7 ASP CG 1 1 11 5925 1 1 7 ASP H H -7.875 6.916 7.944 1.00 . A A . 7 ASP H 1 1 11 5926 1 1 7 ASP HA H -10.079 8.662 7.122 1.00 . A A . 7 ASP HA 1 1 11 5927 1 1 7 ASP HB2 H -8.706 10.457 8.193 1.00 . A A . 7 ASP HB2 1 1 11 5928 1 1 7 ASP HB3 H -9.160 9.151 9.281 1.00 . A A . 7 ASP HB3 1 1 11 5929 1 1 7 ASP N N -8.696 7.145 7.458 1.00 . A A . 7 ASP N 1 1 11 5930 1 1 7 ASP O O -8.462 10.224 5.593 1.00 . A A . 7 ASP O 1 1 11 5931 1 1 7 ASP OD1 O -6.228 9.854 8.180 1.00 . A A . 7 ASP OD1 1 1 11 5932 1 1 7 ASP OD2 O -6.828 8.367 9.670 1.00 . A A . 7 ASP OD2 1 1 11 5933 1 1 8 LEU C C -7.697 7.780 2.874 1.00 . A A . 8 LEU C 1 1 11 5934 1 1 8 LEU CA C -6.981 8.468 4.035 1.00 . A A . 8 LEU CA 1 1 11 5935 1 1 8 LEU CB C -5.517 8.017 4.116 1.00 . A A . 8 LEU CB 1 1 11 5936 1 1 8 LEU CD1 C -4.434 10.075 3.183 1.00 . A A . 8 LEU CD1 1 1 11 5937 1 1 8 LEU CD2 C -3.240 7.881 3.091 1.00 . A A . 8 LEU CD2 1 1 11 5938 1 1 8 LEU CG C -4.591 8.570 3.033 1.00 . A A . 8 LEU CG 1 1 11 5939 1 1 8 LEU H H -7.608 7.226 5.593 1.00 . A A . 8 LEU H 1 1 11 5940 1 1 8 LEU HA H -7.017 9.534 3.877 1.00 . A A . 8 LEU HA 1 1 11 5941 1 1 8 LEU HB2 H -5.126 8.315 5.082 1.00 . A A . 8 LEU HB2 1 1 11 5942 1 1 8 LEU HB3 H -5.494 6.934 4.067 1.00 . A A . 8 LEU HB3 1 1 11 5943 1 1 8 LEU HD11 H -3.812 10.454 2.384 1.00 . A A . 8 LEU HD11 1 1 11 5944 1 1 8 LEU HD12 H -3.970 10.300 4.133 1.00 . A A . 8 LEU HD12 1 1 11 5945 1 1 8 LEU HD13 H -5.397 10.555 3.138 1.00 . A A . 8 LEU HD13 1 1 11 5946 1 1 8 LEU HD21 H -3.369 6.820 3.170 1.00 . A A . 8 LEU HD21 1 1 11 5947 1 1 8 LEU HD22 H -2.685 8.231 3.952 1.00 . A A . 8 LEU HD22 1 1 11 5948 1 1 8 LEU HD23 H -2.685 8.108 2.193 1.00 . A A . 8 LEU HD23 1 1 11 5949 1 1 8 LEU HG H -5.015 8.382 2.062 1.00 . A A . 8 LEU HG 1 1 11 5950 1 1 8 LEU N N -7.668 8.148 5.277 1.00 . A A . 8 LEU N 1 1 11 5951 1 1 8 LEU O O -7.084 7.450 1.852 1.00 . A A . 8 LEU O 1 1 11 5952 1 1 9 ALA C C -9.771 7.361 0.703 1.00 . A A . 9 ALA C 1 1 11 5953 1 1 9 ALA CA C -9.863 6.847 2.134 1.00 . A A . 9 ALA CA 1 1 11 5954 1 1 9 ALA CB C -11.299 6.895 2.620 1.00 . A A . 9 ALA CB 1 1 11 5955 1 1 9 ALA H H -9.421 7.916 3.884 1.00 . A A . 9 ALA H 1 1 11 5956 1 1 9 ALA HA H -9.543 5.814 2.158 1.00 . A A . 9 ALA HA 1 1 11 5957 1 1 9 ALA HB1 H -11.345 6.528 3.635 1.00 . A A . 9 ALA HB1 1 1 11 5958 1 1 9 ALA HB2 H -11.919 6.275 1.987 1.00 . A A . 9 ALA HB2 1 1 11 5959 1 1 9 ALA HB3 H -11.660 7.914 2.592 1.00 . A A . 9 ALA HB3 1 1 11 5960 1 1 9 ALA N N -9.007 7.600 3.056 1.00 . A A . 9 ALA N 1 1 11 5961 1 1 9 ALA O O -10.602 8.148 0.251 1.00 . A A . 9 ALA O 1 1 11 5962 1 1 10 CYS C C -8.292 8.797 -1.451 1.00 . A A . 10 CYS C 1 1 11 5963 1 1 10 CYS CA C -8.469 7.287 -1.361 1.00 . A A . 10 CYS CA 1 1 11 5964 1 1 10 CYS CB C -9.574 6.808 -2.314 1.00 . A A . 10 CYS CB 1 1 11 5965 1 1 10 CYS H H -8.113 6.276 0.440 1.00 . A A . 10 CYS H 1 1 11 5966 1 1 10 CYS HA H -7.533 6.826 -1.636 1.00 . A A . 10 CYS HA 1 1 11 5967 1 1 10 CYS HB2 H -9.906 5.825 -2.028 1.00 . A A . 10 CYS HB2 1 1 11 5968 1 1 10 CYS HB3 H -10.419 7.483 -2.249 1.00 . A A . 10 CYS HB3 1 1 11 5969 1 1 10 CYS N N -8.740 6.901 0.010 1.00 . A A . 10 CYS N 1 1 11 5970 1 1 10 CYS O O -8.817 9.447 -2.353 1.00 . A A . 10 CYS O 1 1 11 5971 1 1 10 CYS SG S -9.051 6.760 -4.062 1.00 . A A . 10 CYS SG 1 1 11 5972 1 1 11 THR C C -6.129 11.030 -1.563 1.00 . A A . 11 THR C 1 1 11 5973 1 1 11 THR CA C -7.224 10.775 -0.534 1.00 . A A . 11 THR CA 1 1 11 5974 1 1 11 THR CB C -6.760 11.266 0.850 1.00 . A A . 11 THR CB 1 1 11 5975 1 1 11 THR CG2 C -6.719 12.787 0.911 1.00 . A A . 11 THR CG2 1 1 11 5976 1 1 11 THR H H -7.127 8.782 0.185 1.00 . A A . 11 THR H 1 1 11 5977 1 1 11 THR HA H -8.116 11.320 -0.827 1.00 . A A . 11 THR HA 1 1 11 5978 1 1 11 THR HB H -5.770 10.891 1.050 1.00 . A A . 11 THR HB 1 1 11 5979 1 1 11 THR HG1 H -7.695 9.841 1.833 1.00 . A A . 11 THR HG1 1 1 11 5980 1 1 11 THR HG21 H -7.697 13.186 0.684 1.00 . A A . 11 THR HG21 1 1 11 5981 1 1 11 THR HG22 H -6.003 13.160 0.195 1.00 . A A . 11 THR HG22 1 1 11 5982 1 1 11 THR HG23 H -6.427 13.098 1.903 1.00 . A A . 11 THR HG23 1 1 11 5983 1 1 11 THR N N -7.539 9.351 -0.506 1.00 . A A . 11 THR N 1 1 11 5984 1 1 11 THR O O -5.968 12.139 -2.070 1.00 . A A . 11 THR O 1 1 11 5985 1 1 11 THR OG1 O -7.653 10.776 1.854 1.00 . A A . 11 THR OG1 1 1 11 5986 1 1 12 GLY C C -3.518 8.802 -2.898 1.00 . A A . 12 GLY C 1 1 11 5987 1 1 12 GLY CA C -4.374 10.045 -2.892 1.00 . A A . 12 GLY CA 1 1 11 5988 1 1 12 GLY H H -5.570 9.108 -1.448 1.00 . A A . 12 GLY H 1 1 11 5989 1 1 12 GLY HA2 H -4.848 10.167 -3.857 1.00 . A A . 12 GLY HA2 1 1 11 5990 1 1 12 GLY HA3 H -3.737 10.901 -2.704 1.00 . A A . 12 GLY HA3 1 1 11 5991 1 1 12 GLY N N -5.395 9.975 -1.877 1.00 . A A . 12 GLY N 1 1 11 5992 1 1 12 GLY O O -3.002 8.397 -1.854 1.00 . A A . 12 GLY O 1 1 11 5993 1 1 13 SER C C -1.104 7.341 -3.824 1.00 . A A . 13 SER C 1 1 11 5994 1 1 13 SER CA C -2.547 6.995 -4.176 1.00 . A A . 13 SER CA 1 1 11 5995 1 1 13 SER CB C -2.648 6.408 -5.584 1.00 . A A . 13 SER CB 1 1 11 5996 1 1 13 SER H H -3.831 8.535 -4.859 1.00 . A A . 13 SER H 1 1 11 5997 1 1 13 SER HA H -2.906 6.258 -3.467 1.00 . A A . 13 SER HA 1 1 11 5998 1 1 13 SER HB2 H -2.302 7.135 -6.304 1.00 . A A . 13 SER HB2 1 1 11 5999 1 1 13 SER HB3 H -2.041 5.516 -5.650 1.00 . A A . 13 SER HB3 1 1 11 6000 1 1 13 SER HG H -4.037 5.713 -6.778 1.00 . A A . 13 SER HG 1 1 11 6001 1 1 13 SER N N -3.381 8.177 -4.056 1.00 . A A . 13 SER N 1 1 11 6002 1 1 13 SER O O -0.486 6.662 -3.008 1.00 . A A . 13 SER O 1 1 11 6003 1 1 13 SER OG O -3.990 6.068 -5.887 1.00 . A A . 13 SER OG 1 1 11 6004 1 1 14 LYS C C 0.844 9.311 -2.619 1.00 . A A . 14 LYS C 1 1 11 6005 1 1 14 LYS CA C 0.751 8.906 -4.087 1.00 . A A . 14 LYS CA 1 1 11 6006 1 1 14 LYS CB C 1.131 10.094 -4.979 1.00 . A A . 14 LYS CB 1 1 11 6007 1 1 14 LYS CD C 0.729 12.501 -5.592 1.00 . A A . 14 LYS CD 1 1 11 6008 1 1 14 LYS CE C -0.208 13.687 -5.456 1.00 . A A . 14 LYS CE 1 1 11 6009 1 1 14 LYS CG C 0.212 11.297 -4.823 1.00 . A A . 14 LYS CG 1 1 11 6010 1 1 14 LYS H H -1.156 8.946 -5.023 1.00 . A A . 14 LYS H 1 1 11 6011 1 1 14 LYS HA H 1.441 8.117 -4.254 1.00 . A A . 14 LYS HA 1 1 11 6012 1 1 14 LYS HB2 H 2.144 10.398 -4.743 1.00 . A A . 14 LYS HB2 1 1 11 6013 1 1 14 LYS HB3 H 1.096 9.775 -6.011 1.00 . A A . 14 LYS HB3 1 1 11 6014 1 1 14 LYS HD2 H 1.699 12.777 -5.205 1.00 . A A . 14 LYS HD2 1 1 11 6015 1 1 14 LYS HD3 H 0.816 12.243 -6.639 1.00 . A A . 14 LYS HD3 1 1 11 6016 1 1 14 LYS HE2 H 0.215 14.524 -5.991 1.00 . A A . 14 LYS HE2 1 1 11 6017 1 1 14 LYS HE3 H -1.163 13.430 -5.892 1.00 . A A . 14 LYS HE3 1 1 11 6018 1 1 14 LYS HG2 H -0.768 11.041 -5.194 1.00 . A A . 14 LYS HG2 1 1 11 6019 1 1 14 LYS HG3 H 0.144 11.564 -3.782 1.00 . A A . 14 LYS HG3 1 1 11 6020 1 1 14 LYS HZ1 H 0.496 14.125 -3.530 1.00 . A A . 14 LYS HZ1 1 1 11 6021 1 1 14 LYS HZ2 H -1.030 13.394 -3.563 1.00 . A A . 14 LYS HZ2 1 1 11 6022 1 1 14 LYS HZ3 H -0.866 15.015 -3.994 1.00 . A A . 14 LYS HZ3 1 1 11 6023 1 1 14 LYS N N -0.594 8.427 -4.402 1.00 . A A . 14 LYS N 1 1 11 6024 1 1 14 LYS NZ N -0.414 14.079 -4.038 1.00 . A A . 14 LYS NZ 1 1 11 6025 1 1 14 LYS O O 1.885 9.160 -1.984 1.00 . A A . 14 LYS O 1 1 11 6026 1 1 15 ASP C C -0.208 9.021 0.233 1.00 . A A . 15 ASP C 1 1 11 6027 1 1 15 ASP CA C -0.331 10.222 -0.691 1.00 . A A . 15 ASP CA 1 1 11 6028 1 1 15 ASP CB C -1.640 10.966 -0.410 1.00 . A A . 15 ASP CB 1 1 11 6029 1 1 15 ASP CG C -1.692 12.333 -1.066 1.00 . A A . 15 ASP CG 1 1 11 6030 1 1 15 ASP H H -1.071 9.899 -2.639 1.00 . A A . 15 ASP H 1 1 11 6031 1 1 15 ASP HA H 0.501 10.889 -0.496 1.00 . A A . 15 ASP HA 1 1 11 6032 1 1 15 ASP HB2 H -2.466 10.387 -0.778 1.00 . A A . 15 ASP HB2 1 1 11 6033 1 1 15 ASP HB3 H -1.755 11.103 0.659 1.00 . A A . 15 ASP HB3 1 1 11 6034 1 1 15 ASP N N -0.266 9.807 -2.086 1.00 . A A . 15 ASP N 1 1 11 6035 1 1 15 ASP O O 0.330 9.126 1.334 1.00 . A A . 15 ASP O 1 1 11 6036 1 1 15 ASP OD1 O -1.774 12.402 -2.313 1.00 . A A . 15 ASP OD1 1 1 11 6037 1 1 15 ASP OD2 O -1.663 13.348 -0.333 1.00 . A A . 15 ASP OD2 1 1 11 6038 1 1 16 CYS C C 0.655 5.877 0.220 1.00 . A A . 16 CYS C 1 1 11 6039 1 1 16 CYS CA C -0.618 6.652 0.563 1.00 . A A . 16 CYS CA 1 1 11 6040 1 1 16 CYS CB C -1.848 5.771 0.331 1.00 . A A . 16 CYS CB 1 1 11 6041 1 1 16 CYS H H -1.139 7.841 -1.102 1.00 . A A . 16 CYS H 1 1 11 6042 1 1 16 CYS HA H -0.580 6.916 1.615 1.00 . A A . 16 CYS HA 1 1 11 6043 1 1 16 CYS HB2 H -2.729 6.395 0.368 1.00 . A A . 16 CYS HB2 1 1 11 6044 1 1 16 CYS HB3 H -1.787 5.312 -0.648 1.00 . A A . 16 CYS HB3 1 1 11 6045 1 1 16 CYS N N -0.712 7.879 -0.216 1.00 . A A . 16 CYS N 1 1 11 6046 1 1 16 CYS O O 1.103 5.046 1.002 1.00 . A A . 16 CYS O 1 1 11 6047 1 1 16 CYS SG S -2.049 4.438 1.562 1.00 . A A . 16 CYS SG 1 1 11 6048 1 1 17 TYR C C 3.580 5.544 -0.408 1.00 . A A . 17 TYR C 1 1 11 6049 1 1 17 TYR CA C 2.433 5.443 -1.405 1.00 . A A . 17 TYR CA 1 1 11 6050 1 1 17 TYR CB C 2.900 5.958 -2.770 1.00 . A A . 17 TYR CB 1 1 11 6051 1 1 17 TYR CD1 C 1.331 4.265 -3.817 1.00 . A A . 17 TYR CD1 1 1 11 6052 1 1 17 TYR CD2 C 2.171 6.025 -5.186 1.00 . A A . 17 TYR CD2 1 1 11 6053 1 1 17 TYR CE1 C 0.620 3.763 -4.892 1.00 . A A . 17 TYR CE1 1 1 11 6054 1 1 17 TYR CE2 C 1.464 5.528 -6.264 1.00 . A A . 17 TYR CE2 1 1 11 6055 1 1 17 TYR CG C 2.117 5.406 -3.945 1.00 . A A . 17 TYR CG 1 1 11 6056 1 1 17 TYR CZ C 0.692 4.397 -6.112 1.00 . A A . 17 TYR CZ 1 1 11 6057 1 1 17 TYR H H 0.845 6.834 -1.536 1.00 . A A . 17 TYR H 1 1 11 6058 1 1 17 TYR HA H 2.184 4.402 -1.471 1.00 . A A . 17 TYR HA 1 1 11 6059 1 1 17 TYR HB2 H 2.812 7.034 -2.787 1.00 . A A . 17 TYR HB2 1 1 11 6060 1 1 17 TYR HB3 H 3.940 5.691 -2.925 1.00 . A A . 17 TYR HB3 1 1 11 6061 1 1 17 TYR HD1 H 1.261 3.752 -2.878 1.00 . A A . 17 TYR HD1 1 1 11 6062 1 1 17 TYR HD2 H 2.782 6.908 -5.312 1.00 . A A . 17 TYR HD2 1 1 11 6063 1 1 17 TYR HE1 H 0.020 2.892 -4.772 1.00 . A A . 17 TYR HE1 1 1 11 6064 1 1 17 TYR HE2 H 1.520 6.025 -7.221 1.00 . A A . 17 TYR HE2 1 1 11 6065 1 1 17 TYR HH H -0.863 4.328 -7.243 1.00 . A A . 17 TYR HH 1 1 11 6066 1 1 17 TYR N N 1.240 6.160 -0.945 1.00 . A A . 17 TYR N 1 1 11 6067 1 1 17 TYR O O 4.229 4.541 -0.101 1.00 . A A . 17 TYR O 1 1 11 6068 1 1 17 TYR OH O -0.007 3.896 -7.188 1.00 . A A . 17 TYR OH 1 1 11 6069 1 1 18 ALA C C 4.716 6.136 2.324 1.00 . A A . 18 ALA C 1 1 11 6070 1 1 18 ALA CA C 4.920 6.957 1.041 1.00 . A A . 18 ALA CA 1 1 11 6071 1 1 18 ALA CB C 5.097 8.440 1.343 1.00 . A A . 18 ALA CB 1 1 11 6072 1 1 18 ALA H H 3.280 7.514 -0.188 1.00 . A A . 18 ALA H 1 1 11 6073 1 1 18 ALA HA H 5.833 6.615 0.566 1.00 . A A . 18 ALA HA 1 1 11 6074 1 1 18 ALA HB1 H 5.355 8.589 2.384 1.00 . A A . 18 ALA HB1 1 1 11 6075 1 1 18 ALA HB2 H 4.187 8.979 1.121 1.00 . A A . 18 ALA HB2 1 1 11 6076 1 1 18 ALA HB3 H 5.893 8.830 0.726 1.00 . A A . 18 ALA HB3 1 1 11 6077 1 1 18 ALA N N 3.831 6.746 0.095 1.00 . A A . 18 ALA N 1 1 11 6078 1 1 18 ALA O O 5.594 5.353 2.693 1.00 . A A . 18 ALA O 1 1 11 6079 1 1 19 PRO C C 3.239 3.960 3.882 1.00 . A A . 19 PRO C 1 1 11 6080 1 1 19 PRO CA C 3.256 5.455 4.202 1.00 . A A . 19 PRO CA 1 1 11 6081 1 1 19 PRO CB C 1.859 5.920 4.626 1.00 . A A . 19 PRO CB 1 1 11 6082 1 1 19 PRO CD C 2.492 7.262 2.766 1.00 . A A . 19 PRO CD 1 1 11 6083 1 1 19 PRO CG C 1.722 7.284 4.052 1.00 . A A . 19 PRO CG 1 1 11 6084 1 1 19 PRO HA H 3.957 5.639 5.003 1.00 . A A . 19 PRO HA 1 1 11 6085 1 1 19 PRO HB2 H 1.097 5.257 4.234 1.00 . A A . 19 PRO HB2 1 1 11 6086 1 1 19 PRO HB3 H 1.799 5.944 5.703 1.00 . A A . 19 PRO HB3 1 1 11 6087 1 1 19 PRO HD2 H 1.871 6.970 1.965 1.00 . A A . 19 PRO HD2 1 1 11 6088 1 1 19 PRO HD3 H 2.896 8.236 2.586 1.00 . A A . 19 PRO HD3 1 1 11 6089 1 1 19 PRO HG2 H 0.681 7.501 3.863 1.00 . A A . 19 PRO HG2 1 1 11 6090 1 1 19 PRO HG3 H 2.143 8.013 4.729 1.00 . A A . 19 PRO HG3 1 1 11 6091 1 1 19 PRO N N 3.563 6.279 3.025 1.00 . A A . 19 PRO N 1 1 11 6092 1 1 19 PRO O O 3.658 3.142 4.697 1.00 . A A . 19 PRO O 1 1 11 6093 1 1 20 CYS C C 4.097 1.619 2.149 1.00 . A A . 20 CYS C 1 1 11 6094 1 1 20 CYS CA C 2.700 2.218 2.259 1.00 . A A . 20 CYS CA 1 1 11 6095 1 1 20 CYS CB C 1.981 2.100 0.912 1.00 . A A . 20 CYS CB 1 1 11 6096 1 1 20 CYS H H 2.443 4.313 2.074 1.00 . A A . 20 CYS H 1 1 11 6097 1 1 20 CYS HA H 2.141 1.661 3.000 1.00 . A A . 20 CYS HA 1 1 11 6098 1 1 20 CYS HB2 H 0.967 2.454 1.021 1.00 . A A . 20 CYS HB2 1 1 11 6099 1 1 20 CYS HB3 H 2.493 2.709 0.181 1.00 . A A . 20 CYS HB3 1 1 11 6100 1 1 20 CYS N N 2.762 3.613 2.690 1.00 . A A . 20 CYS N 1 1 11 6101 1 1 20 CYS O O 4.356 0.524 2.653 1.00 . A A . 20 CYS O 1 1 11 6102 1 1 20 CYS SG S 1.906 0.399 0.265 1.00 . A A . 20 CYS SG 1 1 11 6103 1 1 21 ARG C C 7.040 1.868 2.742 1.00 . A A . 21 ARG C 1 1 11 6104 1 1 21 ARG CA C 6.377 1.887 1.374 1.00 . A A . 21 ARG CA 1 1 11 6105 1 1 21 ARG CB C 7.157 2.780 0.406 1.00 . A A . 21 ARG CB 1 1 11 6106 1 1 21 ARG CD C 9.296 3.189 -0.849 1.00 . A A . 21 ARG CD 1 1 11 6107 1 1 21 ARG CG C 8.605 2.353 0.213 1.00 . A A . 21 ARG CG 1 1 11 6108 1 1 21 ARG CZ C 9.274 5.564 -1.505 1.00 . A A . 21 ARG CZ 1 1 11 6109 1 1 21 ARG H H 4.747 3.218 1.123 1.00 . A A . 21 ARG H 1 1 11 6110 1 1 21 ARG HA H 6.365 0.877 0.982 1.00 . A A . 21 ARG HA 1 1 11 6111 1 1 21 ARG HB2 H 6.660 2.755 -0.551 1.00 . A A . 21 ARG HB2 1 1 11 6112 1 1 21 ARG HB3 H 7.145 3.793 0.781 1.00 . A A . 21 ARG HB3 1 1 11 6113 1 1 21 ARG HD2 H 10.341 2.915 -0.882 1.00 . A A . 21 ARG HD2 1 1 11 6114 1 1 21 ARG HD3 H 8.833 2.965 -1.800 1.00 . A A . 21 ARG HD3 1 1 11 6115 1 1 21 ARG HE H 9.014 4.893 0.359 1.00 . A A . 21 ARG HE 1 1 11 6116 1 1 21 ARG HG2 H 9.138 2.471 1.144 1.00 . A A . 21 ARG HG2 1 1 11 6117 1 1 21 ARG HG3 H 8.628 1.317 -0.089 1.00 . A A . 21 ARG HG3 1 1 11 6118 1 1 21 ARG HH11 H 9.779 4.307 -3.025 1.00 . A A . 21 ARG HH11 1 1 11 6119 1 1 21 ARG HH12 H 9.651 5.972 -3.447 1.00 . A A . 21 ARG HH12 1 1 11 6120 1 1 21 ARG HH21 H 8.872 7.081 -0.227 1.00 . A A . 21 ARG HH21 1 1 11 6121 1 1 21 ARG HH22 H 9.148 7.550 -1.872 1.00 . A A . 21 ARG HH22 1 1 11 6122 1 1 21 ARG N N 5.002 2.342 1.501 1.00 . A A . 21 ARG N 1 1 11 6123 1 1 21 ARG NE N 9.185 4.618 -0.572 1.00 . A A . 21 ARG NE 1 1 11 6124 1 1 21 ARG NH1 N 9.594 5.249 -2.755 1.00 . A A . 21 ARG NH1 1 1 11 6125 1 1 21 ARG NH2 N 9.083 6.833 -1.175 1.00 . A A . 21 ARG NH2 1 1 11 6126 1 1 21 ARG O O 7.849 0.997 3.038 1.00 . A A . 21 ARG O 1 1 11 6127 1 1 22 LYS C C 6.625 1.701 5.766 1.00 . A A . 22 LYS C 1 1 11 6128 1 1 22 LYS CA C 7.169 2.878 4.948 1.00 . A A . 22 LYS CA 1 1 11 6129 1 1 22 LYS CB C 6.793 4.218 5.594 1.00 . A A . 22 LYS CB 1 1 11 6130 1 1 22 LYS CD C 7.206 5.885 7.436 1.00 . A A . 22 LYS CD 1 1 11 6131 1 1 22 LYS CE C 7.788 6.930 6.491 1.00 . A A . 22 LYS CE 1 1 11 6132 1 1 22 LYS CG C 7.460 4.468 6.937 1.00 . A A . 22 LYS CG 1 1 11 6133 1 1 22 LYS H H 5.993 3.486 3.305 1.00 . A A . 22 LYS H 1 1 11 6134 1 1 22 LYS HA H 8.250 2.801 4.909 1.00 . A A . 22 LYS HA 1 1 11 6135 1 1 22 LYS HB2 H 7.078 4.994 4.906 1.00 . A A . 22 LYS HB2 1 1 11 6136 1 1 22 LYS HB3 H 5.720 4.255 5.733 1.00 . A A . 22 LYS HB3 1 1 11 6137 1 1 22 LYS HD2 H 6.141 6.045 7.522 1.00 . A A . 22 LYS HD2 1 1 11 6138 1 1 22 LYS HD3 H 7.665 5.999 8.407 1.00 . A A . 22 LYS HD3 1 1 11 6139 1 1 22 LYS HE2 H 8.837 6.724 6.336 1.00 . A A . 22 LYS HE2 1 1 11 6140 1 1 22 LYS HE3 H 7.270 6.883 5.547 1.00 . A A . 22 LYS HE3 1 1 11 6141 1 1 22 LYS HG2 H 7.063 3.769 7.658 1.00 . A A . 22 LYS HG2 1 1 11 6142 1 1 22 LYS HG3 H 8.527 4.315 6.837 1.00 . A A . 22 LYS HG3 1 1 11 6143 1 1 22 LYS HZ1 H 6.644 8.542 7.174 1.00 . A A . 22 LYS HZ1 1 1 11 6144 1 1 22 LYS HZ2 H 8.056 8.993 6.360 1.00 . A A . 22 LYS HZ2 1 1 11 6145 1 1 22 LYS HZ3 H 8.149 8.395 7.938 1.00 . A A . 22 LYS HZ3 1 1 11 6146 1 1 22 LYS N N 6.663 2.820 3.586 1.00 . A A . 22 LYS N 1 1 11 6147 1 1 22 LYS NZ N 7.649 8.309 7.029 1.00 . A A . 22 LYS NZ 1 1 11 6148 1 1 22 LYS O O 7.253 1.251 6.722 1.00 . A A . 22 LYS O 1 1 11 6149 1 1 23 GLN C C 5.476 -1.269 5.530 1.00 . A A . 23 GLN C 1 1 11 6150 1 1 23 GLN CA C 4.852 0.041 6.015 1.00 . A A . 23 GLN CA 1 1 11 6151 1 1 23 GLN CB C 3.338 0.032 5.749 1.00 . A A . 23 GLN CB 1 1 11 6152 1 1 23 GLN CD C 2.639 -1.488 7.667 1.00 . A A . 23 GLN CD 1 1 11 6153 1 1 23 GLN CG C 2.626 -1.253 6.168 1.00 . A A . 23 GLN CG 1 1 11 6154 1 1 23 GLN H H 5.010 1.585 4.596 1.00 . A A . 23 GLN H 1 1 11 6155 1 1 23 GLN HA H 5.011 0.123 7.083 1.00 . A A . 23 GLN HA 1 1 11 6156 1 1 23 GLN HB2 H 2.889 0.856 6.284 1.00 . A A . 23 GLN HB2 1 1 11 6157 1 1 23 GLN HB3 H 3.170 0.176 4.695 1.00 . A A . 23 GLN HB3 1 1 11 6158 1 1 23 GLN HE21 H 4.359 -2.497 7.546 1.00 . A A . 23 GLN HE21 1 1 11 6159 1 1 23 GLN HE22 H 3.690 -2.322 9.122 1.00 . A A . 23 GLN HE22 1 1 11 6160 1 1 23 GLN HG2 H 1.595 -1.178 5.855 1.00 . A A . 23 GLN HG2 1 1 11 6161 1 1 23 GLN HG3 H 3.075 -2.100 5.673 1.00 . A A . 23 GLN HG3 1 1 11 6162 1 1 23 GLN N N 5.465 1.196 5.366 1.00 . A A . 23 GLN N 1 1 11 6163 1 1 23 GLN NE2 N 3.666 -2.170 8.154 1.00 . A A . 23 GLN NE2 1 1 11 6164 1 1 23 GLN O O 6.086 -2.001 6.309 1.00 . A A . 23 GLN O 1 1 11 6165 1 1 23 GLN OE1 O 1.729 -1.070 8.380 1.00 . A A . 23 GLN OE1 1 1 11 6166 1 1 24 THR C C 7.160 -2.857 3.200 1.00 . A A . 24 THR C 1 1 11 6167 1 1 24 THR CA C 5.720 -2.855 3.703 1.00 . A A . 24 THR CA 1 1 11 6168 1 1 24 THR CB C 4.794 -3.275 2.544 1.00 . A A . 24 THR CB 1 1 11 6169 1 1 24 THR CG2 C 3.370 -3.480 3.031 1.00 . A A . 24 THR CG2 1 1 11 6170 1 1 24 THR H H 4.836 -0.931 3.661 1.00 . A A . 24 THR H 1 1 11 6171 1 1 24 THR HA H 5.638 -3.598 4.489 1.00 . A A . 24 THR HA 1 1 11 6172 1 1 24 THR HB H 5.140 -4.213 2.123 1.00 . A A . 24 THR HB 1 1 11 6173 1 1 24 THR HG1 H 4.577 -2.672 0.673 1.00 . A A . 24 THR HG1 1 1 11 6174 1 1 24 THR HG21 H 2.995 -2.559 3.454 1.00 . A A . 24 THR HG21 1 1 11 6175 1 1 24 THR HG22 H 3.352 -4.255 3.783 1.00 . A A . 24 THR HG22 1 1 11 6176 1 1 24 THR HG23 H 2.746 -3.773 2.200 1.00 . A A . 24 THR HG23 1 1 11 6177 1 1 24 THR N N 5.325 -1.558 4.243 1.00 . A A . 24 THR N 1 1 11 6178 1 1 24 THR O O 7.848 -3.876 3.264 1.00 . A A . 24 THR O 1 1 11 6179 1 1 24 THR OG1 O 4.813 -2.275 1.516 1.00 . A A . 24 THR OG1 1 1 11 6180 1 1 25 GLY C C 8.729 -1.394 0.561 1.00 . A A . 25 GLY C 1 1 11 6181 1 1 25 GLY CA C 8.900 -1.647 2.043 1.00 . A A . 25 GLY CA 1 1 11 6182 1 1 25 GLY H H 7.030 -0.923 2.680 1.00 . A A . 25 GLY H 1 1 11 6183 1 1 25 GLY HA2 H 9.466 -0.832 2.470 1.00 . A A . 25 GLY HA2 1 1 11 6184 1 1 25 GLY HA3 H 9.459 -2.565 2.178 1.00 . A A . 25 GLY HA3 1 1 11 6185 1 1 25 GLY N N 7.612 -1.714 2.708 1.00 . A A . 25 GLY N 1 1 11 6186 1 1 25 GLY O O 9.643 -0.925 -0.115 1.00 . A A . 25 GLY O 1 1 11 6187 1 1 26 CYS C C 6.064 -0.495 -1.479 1.00 . A A . 26 CYS C 1 1 11 6188 1 1 26 CYS CA C 7.211 -1.494 -1.337 1.00 . A A . 26 CYS CA 1 1 11 6189 1 1 26 CYS CB C 6.833 -2.831 -1.987 1.00 . A A . 26 CYS CB 1 1 11 6190 1 1 26 CYS H H 6.829 -2.043 0.645 1.00 . A A . 26 CYS H 1 1 11 6191 1 1 26 CYS HA H 8.086 -1.108 -1.836 1.00 . A A . 26 CYS HA 1 1 11 6192 1 1 26 CYS HB2 H 6.123 -3.342 -1.367 1.00 . A A . 26 CYS HB2 1 1 11 6193 1 1 26 CYS HB3 H 6.376 -2.635 -2.939 1.00 . A A . 26 CYS HB3 1 1 11 6194 1 1 26 CYS N N 7.534 -1.685 0.066 1.00 . A A . 26 CYS N 1 1 11 6195 1 1 26 CYS O O 5.082 -0.566 -0.745 1.00 . A A . 26 CYS O 1 1 11 6196 1 1 26 CYS SG S 8.240 -3.957 -2.301 1.00 . A A . 26 CYS SG 1 1 11 6197 1 1 27 PRO C C 3.978 1.102 -3.455 1.00 . A A . 27 PRO C 1 1 11 6198 1 1 27 PRO CA C 5.183 1.521 -2.610 1.00 . A A . 27 PRO CA 1 1 11 6199 1 1 27 PRO CB C 5.994 2.580 -3.349 1.00 . A A . 27 PRO CB 1 1 11 6200 1 1 27 PRO CD C 7.278 0.563 -3.403 1.00 . A A . 27 PRO CD 1 1 11 6201 1 1 27 PRO CG C 6.910 1.781 -4.210 1.00 . A A . 27 PRO CG 1 1 11 6202 1 1 27 PRO HA H 4.842 1.922 -1.666 1.00 . A A . 27 PRO HA 1 1 11 6203 1 1 27 PRO HB2 H 5.353 3.227 -3.935 1.00 . A A . 27 PRO HB2 1 1 11 6204 1 1 27 PRO HB3 H 6.549 3.172 -2.640 1.00 . A A . 27 PRO HB3 1 1 11 6205 1 1 27 PRO HD2 H 7.326 -0.311 -4.037 1.00 . A A . 27 PRO HD2 1 1 11 6206 1 1 27 PRO HD3 H 8.221 0.721 -2.901 1.00 . A A . 27 PRO HD3 1 1 11 6207 1 1 27 PRO HG2 H 6.401 1.491 -5.117 1.00 . A A . 27 PRO HG2 1 1 11 6208 1 1 27 PRO HG3 H 7.793 2.358 -4.442 1.00 . A A . 27 PRO HG3 1 1 11 6209 1 1 27 PRO N N 6.172 0.450 -2.428 1.00 . A A . 27 PRO N 1 1 11 6210 1 1 27 PRO O O 3.318 1.941 -4.065 1.00 . A A . 27 PRO O 1 1 11 6211 1 1 28 ASN C C 1.292 -0.674 -3.445 1.00 . A A . 28 ASN C 1 1 11 6212 1 1 28 ASN CA C 2.570 -0.698 -4.274 1.00 . A A . 28 ASN CA 1 1 11 6213 1 1 28 ASN CB C 2.834 -2.119 -4.783 1.00 . A A . 28 ASN CB 1 1 11 6214 1 1 28 ASN CG C 3.926 -2.167 -5.834 1.00 . A A . 28 ASN CG 1 1 11 6215 1 1 28 ASN H H 4.241 -0.834 -3.011 1.00 . A A . 28 ASN H 1 1 11 6216 1 1 28 ASN HA H 2.430 -0.052 -5.139 1.00 . A A . 28 ASN HA 1 1 11 6217 1 1 28 ASN HB2 H 3.122 -2.747 -3.953 1.00 . A A . 28 ASN HB2 1 1 11 6218 1 1 28 ASN HB3 H 1.938 -2.516 -5.229 1.00 . A A . 28 ASN HB3 1 1 11 6219 1 1 28 ASN HD21 H 5.291 -2.591 -4.454 1.00 . A A . 28 ASN HD21 1 1 11 6220 1 1 28 ASN HD22 H 5.871 -2.469 -6.069 1.00 . A A . 28 ASN HD22 1 1 11 6221 1 1 28 ASN N N 3.700 -0.191 -3.501 1.00 . A A . 28 ASN N 1 1 11 6222 1 1 28 ASN ND2 N 5.150 -2.436 -5.406 1.00 . A A . 28 ASN ND2 1 1 11 6223 1 1 28 ASN O O 1.024 -1.594 -2.670 1.00 . A A . 28 ASN O 1 1 11 6224 1 1 28 ASN OD1 O 3.667 -1.980 -7.024 1.00 . A A . 28 ASN OD1 1 1 11 6225 1 1 29 ALA C C -1.848 0.992 -3.831 1.00 . A A . 29 ALA C 1 1 11 6226 1 1 29 ALA CA C -0.743 0.541 -2.893 1.00 . A A . 29 ALA CA 1 1 11 6227 1 1 29 ALA CB C -0.592 1.547 -1.763 1.00 . A A . 29 ALA CB 1 1 11 6228 1 1 29 ALA H H 0.784 1.085 -4.244 1.00 . A A . 29 ALA H 1 1 11 6229 1 1 29 ALA HA H -1.034 -0.404 -2.467 1.00 . A A . 29 ALA HA 1 1 11 6230 1 1 29 ALA HB1 H -0.769 1.049 -0.822 1.00 . A A . 29 ALA HB1 1 1 11 6231 1 1 29 ALA HB2 H -1.303 2.358 -1.870 1.00 . A A . 29 ALA HB2 1 1 11 6232 1 1 29 ALA HB3 H 0.409 1.957 -1.762 1.00 . A A . 29 ALA HB3 1 1 11 6233 1 1 29 ALA N N 0.511 0.384 -3.614 1.00 . A A . 29 ALA N 1 1 11 6234 1 1 29 ALA O O -1.586 1.431 -4.951 1.00 . A A . 29 ALA O 1 1 11 6235 1 1 30 LYS C C -5.379 1.601 -3.154 1.00 . A A . 30 LYS C 1 1 11 6236 1 1 30 LYS CA C -4.232 1.342 -4.117 1.00 . A A . 30 LYS CA 1 1 11 6237 1 1 30 LYS CB C -4.643 0.308 -5.165 1.00 . A A . 30 LYS CB 1 1 11 6238 1 1 30 LYS CD C -5.981 -0.208 -7.215 1.00 . A A . 30 LYS CD 1 1 11 6239 1 1 30 LYS CE C -6.613 -1.503 -6.723 1.00 . A A . 30 LYS CE 1 1 11 6240 1 1 30 LYS CG C -5.755 0.780 -6.086 1.00 . A A . 30 LYS CG 1 1 11 6241 1 1 30 LYS H H -3.217 0.505 -2.462 1.00 . A A . 30 LYS H 1 1 11 6242 1 1 30 LYS HA H -3.972 2.272 -4.612 1.00 . A A . 30 LYS HA 1 1 11 6243 1 1 30 LYS HB2 H -3.774 0.073 -5.766 1.00 . A A . 30 LYS HB2 1 1 11 6244 1 1 30 LYS HB3 H -4.969 -0.589 -4.661 1.00 . A A . 30 LYS HB3 1 1 11 6245 1 1 30 LYS HD2 H -6.643 0.243 -7.939 1.00 . A A . 30 LYS HD2 1 1 11 6246 1 1 30 LYS HD3 H -5.035 -0.436 -7.690 1.00 . A A . 30 LYS HD3 1 1 11 6247 1 1 30 LYS HE2 H -6.100 -1.854 -5.842 1.00 . A A . 30 LYS HE2 1 1 11 6248 1 1 30 LYS HE3 H -7.648 -1.314 -6.483 1.00 . A A . 30 LYS HE3 1 1 11 6249 1 1 30 LYS HG2 H -6.666 0.890 -5.515 1.00 . A A . 30 LYS HG2 1 1 11 6250 1 1 30 LYS HG3 H -5.479 1.736 -6.511 1.00 . A A . 30 LYS HG3 1 1 11 6251 1 1 30 LYS HZ1 H -7.054 -2.277 -8.616 1.00 . A A . 30 LYS HZ1 1 1 11 6252 1 1 30 LYS HZ2 H -6.991 -3.441 -7.393 1.00 . A A . 30 LYS HZ2 1 1 11 6253 1 1 30 LYS HZ3 H -5.561 -2.783 -8.000 1.00 . A A . 30 LYS HZ3 1 1 11 6254 1 1 30 LYS N N -3.079 0.875 -3.368 1.00 . A A . 30 LYS N 1 1 11 6255 1 1 30 LYS NZ N -6.548 -2.573 -7.755 1.00 . A A . 30 LYS NZ 1 1 11 6256 1 1 30 LYS O O -5.471 0.954 -2.112 1.00 . A A . 30 LYS O 1 1 11 6257 1 1 31 CYS C C -8.552 1.981 -2.968 1.00 . A A . 31 CYS C 1 1 11 6258 1 1 31 CYS CA C -7.360 2.864 -2.616 1.00 . A A . 31 CYS CA 1 1 11 6259 1 1 31 CYS CB C -7.731 4.349 -2.723 1.00 . A A . 31 CYS CB 1 1 11 6260 1 1 31 CYS H H -6.110 3.054 -4.317 1.00 . A A . 31 CYS H 1 1 11 6261 1 1 31 CYS HA H -7.079 2.673 -1.600 1.00 . A A . 31 CYS HA 1 1 11 6262 1 1 31 CYS HB2 H -8.474 4.550 -1.983 1.00 . A A . 31 CYS HB2 1 1 11 6263 1 1 31 CYS HB3 H -6.853 4.943 -2.513 1.00 . A A . 31 CYS HB3 1 1 11 6264 1 1 31 CYS N N -6.235 2.553 -3.477 1.00 . A A . 31 CYS N 1 1 11 6265 1 1 31 CYS O O -9.093 2.060 -4.071 1.00 . A A . 31 CYS O 1 1 11 6266 1 1 31 CYS SG S -8.375 4.863 -4.350 1.00 . A A . 31 CYS SG 1 1 11 6267 1 1 32 ILE C C -11.214 0.880 -1.350 1.00 . A A . 32 ILE C 1 1 11 6268 1 1 32 ILE CA C -10.112 0.288 -2.204 1.00 . A A . 32 ILE CA 1 1 11 6269 1 1 32 ILE CB C -9.890 -1.197 -1.808 1.00 . A A . 32 ILE CB 1 1 11 6270 1 1 32 ILE CD1 C -7.519 -1.455 -2.729 1.00 . A A . 32 ILE CD1 1 1 11 6271 1 1 32 ILE CG1 C -8.959 -1.906 -2.799 1.00 . A A . 32 ILE CG1 1 1 11 6272 1 1 32 ILE CG2 C -11.219 -1.940 -1.742 1.00 . A A . 32 ILE CG2 1 1 11 6273 1 1 32 ILE H H -8.437 1.061 -1.192 1.00 . A A . 32 ILE H 1 1 11 6274 1 1 32 ILE HA H -10.420 0.307 -3.248 1.00 . A A . 32 ILE HA 1 1 11 6275 1 1 32 ILE HB H -9.447 -1.221 -0.823 1.00 . A A . 32 ILE HB 1 1 11 6276 1 1 32 ILE HD11 H -7.400 -0.539 -3.287 1.00 . A A . 32 ILE HD11 1 1 11 6277 1 1 32 ILE HD12 H -6.887 -2.217 -3.159 1.00 . A A . 32 ILE HD12 1 1 11 6278 1 1 32 ILE HD13 H -7.230 -1.292 -1.699 1.00 . A A . 32 ILE HD13 1 1 11 6279 1 1 32 ILE HG12 H -8.966 -2.970 -2.601 1.00 . A A . 32 ILE HG12 1 1 11 6280 1 1 32 ILE HG13 H -9.311 -1.735 -3.807 1.00 . A A . 32 ILE HG13 1 1 11 6281 1 1 32 ILE HG21 H -11.806 -1.728 -2.626 1.00 . A A . 32 ILE HG21 1 1 11 6282 1 1 32 ILE HG22 H -11.767 -1.633 -0.864 1.00 . A A . 32 ILE HG22 1 1 11 6283 1 1 32 ILE HG23 H -11.042 -3.007 -1.682 1.00 . A A . 32 ILE HG23 1 1 11 6284 1 1 32 ILE N N -8.925 1.109 -2.045 1.00 . A A . 32 ILE N 1 1 11 6285 1 1 32 ILE O O -11.117 0.862 -0.125 1.00 . A A . 32 ILE O 1 1 11 6286 1 1 33 ASN C C -13.542 1.972 0.039 1.00 . A A . 33 ASN C 1 1 11 6287 1 1 33 ASN CA C -13.346 2.186 -1.460 1.00 . A A . 33 ASN CA 1 1 11 6288 1 1 33 ASN CB C -14.650 1.849 -2.189 1.00 . A A . 33 ASN CB 1 1 11 6289 1 1 33 ASN CG C -14.644 2.288 -3.638 1.00 . A A . 33 ASN CG 1 1 11 6290 1 1 33 ASN H H -12.175 1.380 -3.024 1.00 . A A . 33 ASN H 1 1 11 6291 1 1 33 ASN HA H -13.128 3.233 -1.624 1.00 . A A . 33 ASN HA 1 1 11 6292 1 1 33 ASN HB2 H -14.798 0.780 -2.163 1.00 . A A . 33 ASN HB2 1 1 11 6293 1 1 33 ASN HB3 H -15.483 2.333 -1.689 1.00 . A A . 33 ASN HB3 1 1 11 6294 1 1 33 ASN HD21 H -15.395 4.067 -3.136 1.00 . A A . 33 ASN HD21 1 1 11 6295 1 1 33 ASN HD22 H -15.091 3.811 -4.817 1.00 . A A . 33 ASN HD22 1 1 11 6296 1 1 33 ASN N N -12.225 1.413 -2.040 1.00 . A A . 33 ASN N 1 1 11 6297 1 1 33 ASN ND2 N -15.087 3.508 -3.885 1.00 . A A . 33 ASN ND2 1 1 11 6298 1 1 33 ASN O O -14.415 1.207 0.450 1.00 . A A . 33 ASN O 1 1 11 6299 1 1 33 ASN OD1 O -14.248 1.537 -4.529 1.00 . A A . 33 ASN OD1 1 1 11 6300 1 1 34 LYS C C -11.359 3.070 2.800 1.00 . A A . 34 LYS C 1 1 11 6301 1 1 34 LYS CA C -12.714 2.605 2.289 1.00 . A A . 34 LYS CA 1 1 11 6302 1 1 34 LYS CB C -12.960 1.181 2.806 1.00 . A A . 34 LYS CB 1 1 11 6303 1 1 34 LYS CD C -13.047 -0.369 4.793 1.00 . A A . 34 LYS CD 1 1 11 6304 1 1 34 LYS CE C -12.880 -0.474 6.299 1.00 . A A . 34 LYS CE 1 1 11 6305 1 1 34 LYS CG C -12.894 1.068 4.322 1.00 . A A . 34 LYS CG 1 1 11 6306 1 1 34 LYS H H -12.071 3.282 0.392 1.00 . A A . 34 LYS H 1 1 11 6307 1 1 34 LYS HA H -13.482 3.264 2.667 1.00 . A A . 34 LYS HA 1 1 11 6308 1 1 34 LYS HB2 H -13.944 0.862 2.508 1.00 . A A . 34 LYS HB2 1 1 11 6309 1 1 34 LYS HB3 H -12.224 0.515 2.376 1.00 . A A . 34 LYS HB3 1 1 11 6310 1 1 34 LYS HD2 H -14.030 -0.724 4.524 1.00 . A A . 34 LYS HD2 1 1 11 6311 1 1 34 LYS HD3 H -12.295 -0.982 4.315 1.00 . A A . 34 LYS HD3 1 1 11 6312 1 1 34 LYS HE2 H -11.902 -0.102 6.571 1.00 . A A . 34 LYS HE2 1 1 11 6313 1 1 34 LYS HE3 H -13.639 0.129 6.778 1.00 . A A . 34 LYS HE3 1 1 11 6314 1 1 34 LYS HG2 H -11.941 1.439 4.669 1.00 . A A . 34 LYS HG2 1 1 11 6315 1 1 34 LYS HG3 H -13.689 1.662 4.749 1.00 . A A . 34 LYS HG3 1 1 11 6316 1 1 34 LYS HZ1 H -12.277 -2.474 6.343 1.00 . A A . 34 LYS HZ1 1 1 11 6317 1 1 34 LYS HZ2 H -13.945 -2.255 6.543 1.00 . A A . 34 LYS HZ2 1 1 11 6318 1 1 34 LYS HZ3 H -12.887 -1.904 7.814 1.00 . A A . 34 LYS HZ3 1 1 11 6319 1 1 34 LYS N N -12.724 2.681 0.826 1.00 . A A . 34 LYS N 1 1 11 6320 1 1 34 LYS NZ N -13.006 -1.873 6.781 1.00 . A A . 34 LYS NZ 1 1 11 6321 1 1 34 LYS O O -11.268 3.946 3.660 1.00 . A A . 34 LYS O 1 1 11 6322 1 1 35 SER C C -7.969 2.371 1.580 1.00 . A A . 35 SER C 1 1 11 6323 1 1 35 SER CA C -8.952 2.737 2.686 1.00 . A A . 35 SER CA 1 1 11 6324 1 1 35 SER CB C -8.657 1.921 3.948 1.00 . A A . 35 SER CB 1 1 11 6325 1 1 35 SER H H -10.458 1.777 1.565 1.00 . A A . 35 SER H 1 1 11 6326 1 1 35 SER HA H -8.850 3.792 2.910 1.00 . A A . 35 SER HA 1 1 11 6327 1 1 35 SER HB2 H -7.604 1.980 4.190 1.00 . A A . 35 SER HB2 1 1 11 6328 1 1 35 SER HB3 H -9.233 2.321 4.770 1.00 . A A . 35 SER HB3 1 1 11 6329 1 1 35 SER HG H -8.701 0.046 4.519 1.00 . A A . 35 SER HG 1 1 11 6330 1 1 35 SER N N -10.310 2.473 2.251 1.00 . A A . 35 SER N 1 1 11 6331 1 1 35 SER O O -8.327 1.677 0.628 1.00 . A A . 35 SER O 1 1 11 6332 1 1 35 SER OG O -9.011 0.559 3.769 1.00 . A A . 35 SER OG 1 1 11 6333 1 1 36 CYS C C -4.955 1.257 1.272 1.00 . A A . 36 CYS C 1 1 11 6334 1 1 36 CYS CA C -5.707 2.469 0.739 1.00 . A A . 36 CYS CA 1 1 11 6335 1 1 36 CYS CB C -4.749 3.631 0.459 1.00 . A A . 36 CYS CB 1 1 11 6336 1 1 36 CYS H H -6.516 3.420 2.453 1.00 . A A . 36 CYS H 1 1 11 6337 1 1 36 CYS HA H -6.176 2.197 -0.186 1.00 . A A . 36 CYS HA 1 1 11 6338 1 1 36 CYS HB2 H -3.939 3.280 -0.164 1.00 . A A . 36 CYS HB2 1 1 11 6339 1 1 36 CYS HB3 H -5.290 4.397 -0.079 1.00 . A A . 36 CYS HB3 1 1 11 6340 1 1 36 CYS N N -6.742 2.858 1.680 1.00 . A A . 36 CYS N 1 1 11 6341 1 1 36 CYS O O -4.456 1.267 2.399 1.00 . A A . 36 CYS O 1 1 11 6342 1 1 36 CYS SG S -4.042 4.407 1.946 1.00 . A A . 36 CYS SG 1 1 11 6343 1 1 37 LYS C C -3.074 -1.339 -0.007 1.00 . A A . 37 LYS C 1 1 11 6344 1 1 37 LYS CA C -4.269 -1.034 0.883 1.00 . A A . 37 LYS CA 1 1 11 6345 1 1 37 LYS CB C -5.278 -2.182 0.817 1.00 . A A . 37 LYS CB 1 1 11 6346 1 1 37 LYS CD C -5.825 -4.573 1.394 1.00 . A A . 37 LYS CD 1 1 11 6347 1 1 37 LYS CE C -5.784 -5.151 -0.011 1.00 . A A . 37 LYS CE 1 1 11 6348 1 1 37 LYS CG C -4.832 -3.434 1.558 1.00 . A A . 37 LYS CG 1 1 11 6349 1 1 37 LYS H H -5.320 0.245 -0.419 1.00 . A A . 37 LYS H 1 1 11 6350 1 1 37 LYS HA H -3.922 -0.934 1.908 1.00 . A A . 37 LYS HA 1 1 11 6351 1 1 37 LYS HB2 H -6.208 -1.847 1.259 1.00 . A A . 37 LYS HB2 1 1 11 6352 1 1 37 LYS HB3 H -5.458 -2.431 -0.219 1.00 . A A . 37 LYS HB3 1 1 11 6353 1 1 37 LYS HD2 H -5.574 -5.354 2.096 1.00 . A A . 37 LYS HD2 1 1 11 6354 1 1 37 LYS HD3 H -6.825 -4.214 1.600 1.00 . A A . 37 LYS HD3 1 1 11 6355 1 1 37 LYS HE2 H -5.950 -4.364 -0.730 1.00 . A A . 37 LYS HE2 1 1 11 6356 1 1 37 LYS HE3 H -4.812 -5.591 -0.178 1.00 . A A . 37 LYS HE3 1 1 11 6357 1 1 37 LYS HG2 H -3.866 -3.744 1.181 1.00 . A A . 37 LYS HG2 1 1 11 6358 1 1 37 LYS HG3 H -4.745 -3.198 2.609 1.00 . A A . 37 LYS HG3 1 1 11 6359 1 1 37 LYS HZ1 H -7.772 -5.790 -0.064 1.00 . A A . 37 LYS HZ1 1 1 11 6360 1 1 37 LYS HZ2 H -6.683 -6.978 0.456 1.00 . A A . 37 LYS HZ2 1 1 11 6361 1 1 37 LYS HZ3 H -6.767 -6.566 -1.181 1.00 . A A . 37 LYS HZ3 1 1 11 6362 1 1 37 LYS N N -4.894 0.208 0.468 1.00 . A A . 37 LYS N 1 1 11 6363 1 1 37 LYS NZ N -6.823 -6.192 -0.212 1.00 . A A . 37 LYS NZ 1 1 11 6364 1 1 37 LYS O O -3.087 -1.043 -1.204 1.00 . A A . 37 LYS O 1 1 11 6365 1 1 38 CYS C C -0.964 -3.701 -0.676 1.00 . A A . 38 CYS C 1 1 11 6366 1 1 38 CYS CA C -0.848 -2.276 -0.148 1.00 . A A . 38 CYS CA 1 1 11 6367 1 1 38 CYS CB C 0.374 -2.163 0.763 1.00 . A A . 38 CYS CB 1 1 11 6368 1 1 38 CYS H H -2.094 -2.120 1.548 1.00 . A A . 38 CYS H 1 1 11 6369 1 1 38 CYS HA H -0.722 -1.600 -0.974 1.00 . A A . 38 CYS HA 1 1 11 6370 1 1 38 CYS HB2 H 0.276 -2.872 1.575 1.00 . A A . 38 CYS HB2 1 1 11 6371 1 1 38 CYS HB3 H 1.265 -2.399 0.197 1.00 . A A . 38 CYS HB3 1 1 11 6372 1 1 38 CYS N N -2.045 -1.914 0.583 1.00 . A A . 38 CYS N 1 1 11 6373 1 1 38 CYS O O -1.642 -4.544 -0.086 1.00 . A A . 38 CYS O 1 1 11 6374 1 1 38 CYS SG S 0.598 -0.519 1.512 1.00 . A A . 38 CYS SG 1 1 11 6375 1 1 39 TYR C C 0.783 -6.133 -1.634 1.00 . A A . 39 TYR C 1 1 11 6376 1 1 39 TYR CA C -0.258 -5.302 -2.362 1.00 . A A . 39 TYR CA 1 1 11 6377 1 1 39 TYR CB C 0.081 -5.246 -3.851 1.00 . A A . 39 TYR CB 1 1 11 6378 1 1 39 TYR CD1 C -2.108 -5.192 -5.102 1.00 . A A . 39 TYR CD1 1 1 11 6379 1 1 39 TYR CD2 C -0.778 -3.215 -5.077 1.00 . A A . 39 TYR CD2 1 1 11 6380 1 1 39 TYR CE1 C -3.055 -4.549 -5.871 1.00 . A A . 39 TYR CE1 1 1 11 6381 1 1 39 TYR CE2 C -1.721 -2.564 -5.846 1.00 . A A . 39 TYR CE2 1 1 11 6382 1 1 39 TYR CG C -0.956 -4.537 -4.691 1.00 . A A . 39 TYR CG 1 1 11 6383 1 1 39 TYR CZ C -2.856 -3.235 -6.242 1.00 . A A . 39 TYR CZ 1 1 11 6384 1 1 39 TYR H H 0.219 -3.242 -2.226 1.00 . A A . 39 TYR H 1 1 11 6385 1 1 39 TYR HA H -1.229 -5.769 -2.239 1.00 . A A . 39 TYR HA 1 1 11 6386 1 1 39 TYR HB2 H 1.028 -4.735 -3.976 1.00 . A A . 39 TYR HB2 1 1 11 6387 1 1 39 TYR HB3 H 0.182 -6.257 -4.231 1.00 . A A . 39 TYR HB3 1 1 11 6388 1 1 39 TYR HD1 H -2.265 -6.222 -4.811 1.00 . A A . 39 TYR HD1 1 1 11 6389 1 1 39 TYR HD2 H 0.100 -2.692 -4.764 1.00 . A A . 39 TYR HD2 1 1 11 6390 1 1 39 TYR HE1 H -3.946 -5.075 -6.182 1.00 . A A . 39 TYR HE1 1 1 11 6391 1 1 39 TYR HE2 H -1.565 -1.536 -6.137 1.00 . A A . 39 TYR HE2 1 1 11 6392 1 1 39 TYR HH H -3.466 -2.480 -7.904 1.00 . A A . 39 TYR HH 1 1 11 6393 1 1 39 TYR N N -0.305 -3.961 -1.796 1.00 . A A . 39 TYR N 1 1 11 6394 1 1 39 TYR O O 0.888 -7.345 -1.829 1.00 . A A . 39 TYR O 1 1 11 6395 1 1 39 TYR OH O -3.800 -2.593 -7.007 1.00 . A A . 39 TYR OH 1 1 11 6396 1 1 40 GLY C C 3.962 -5.820 -0.669 1.00 . A A . 40 GLY C 1 1 11 6397 1 1 40 GLY CA C 2.614 -6.121 -0.062 1.00 . A A . 40 GLY CA 1 1 11 6398 1 1 40 GLY H H 1.453 -4.503 -0.666 1.00 . A A . 40 GLY H 1 1 11 6399 1 1 40 GLY HA2 H 2.606 -5.759 0.956 1.00 . A A . 40 GLY HA2 1 1 11 6400 1 1 40 GLY HA3 H 2.467 -7.194 -0.048 1.00 . A A . 40 GLY HA3 1 1 11 6401 1 1 40 GLY N N 1.553 -5.464 -0.790 1.00 . A A . 40 GLY N 1 1 11 6402 1 1 40 GLY O O 4.059 -5.016 -1.598 1.00 . A A . 40 GLY O 1 1 11 6403 1 1 41 CYS C C 7.046 -7.602 -0.752 1.00 . A A . 41 CYS C 1 1 11 6404 1 1 41 CYS CA C 6.335 -6.259 -0.677 1.00 . A A . 41 CYS CA 1 1 11 6405 1 1 41 CYS CB C 7.109 -5.276 0.204 1.00 . A A . 41 CYS CB 1 1 11 6406 1 1 41 CYS H H 4.862 -7.077 0.598 1.00 . A A . 41 CYS H 1 1 11 6407 1 1 41 CYS HA H 6.264 -5.867 -1.680 1.00 . A A . 41 CYS HA 1 1 11 6408 1 1 41 CYS HB2 H 6.508 -4.396 0.361 1.00 . A A . 41 CYS HB2 1 1 11 6409 1 1 41 CYS HB3 H 7.305 -5.734 1.165 1.00 . A A . 41 CYS HB3 1 1 11 6410 1 1 41 CYS N N 4.997 -6.449 -0.153 1.00 . A A . 41 CYS N 1 1 11 6411 1 1 41 CYS O O 7.761 -7.956 0.206 1.00 . A A . 41 CYS O 1 1 11 6412 1 1 41 CYS OXT O 6.846 -8.322 -1.758 1.00 . A A . 41 CYS OXT 1 1 11 6413 1 1 41 CYS SG S 8.709 -4.735 -0.484 1.00 . A A . 41 CYS SG 1 1 12 6414 1 1 1 TRP C C 1.968 0.841 12.759 1.00 . A A . 1 TRP C 1 1 12 6415 1 1 1 TRP CA C 1.114 -0.341 13.208 1.00 . A A . 1 TRP CA 1 1 12 6416 1 1 1 TRP CB C 1.453 -1.582 12.374 1.00 . A A . 1 TRP CB 1 1 12 6417 1 1 1 TRP CD1 C 3.730 -1.999 11.280 1.00 . A A . 1 TRP CD1 1 1 12 6418 1 1 1 TRP CD2 C 3.723 -2.240 13.506 1.00 . A A . 1 TRP CD2 1 1 12 6419 1 1 1 TRP CE2 C 5.022 -2.495 13.030 1.00 . A A . 1 TRP CE2 1 1 12 6420 1 1 1 TRP CE3 C 3.478 -2.328 14.880 1.00 . A A . 1 TRP CE3 1 1 12 6421 1 1 1 TRP CG C 2.910 -1.927 12.369 1.00 . A A . 1 TRP CG 1 1 12 6422 1 1 1 TRP CH2 C 5.803 -2.909 15.219 1.00 . A A . 1 TRP CH2 1 1 12 6423 1 1 1 TRP CZ2 C 6.072 -2.832 13.880 1.00 . A A . 1 TRP CZ2 1 1 12 6424 1 1 1 TRP CZ3 C 4.521 -2.662 15.721 1.00 . A A . 1 TRP CZ3 1 1 12 6425 1 1 1 TRP H1 H -0.867 -0.836 13.464 1.00 . A A . 1 TRP H1 1 1 12 6426 1 1 1 TRP H2 H -0.559 0.148 12.090 1.00 . A A . 1 TRP H2 1 1 12 6427 1 1 1 TRP H3 H -0.520 0.826 13.668 1.00 . A A . 1 TRP H3 1 1 12 6428 1 1 1 TRP HA H 1.330 -0.547 14.247 1.00 . A A . 1 TRP HA 1 1 12 6429 1 1 1 TRP HB2 H 0.915 -2.429 12.775 1.00 . A A . 1 TRP HB2 1 1 12 6430 1 1 1 TRP HB3 H 1.136 -1.414 11.353 1.00 . A A . 1 TRP HB3 1 1 12 6431 1 1 1 TRP HD1 H 3.411 -1.816 10.265 1.00 . A A . 1 TRP HD1 1 1 12 6432 1 1 1 TRP HE1 H 5.767 -2.463 11.070 1.00 . A A . 1 TRP HE1 1 1 12 6433 1 1 1 TRP HE3 H 2.495 -2.141 15.285 1.00 . A A . 1 TRP HE3 1 1 12 6434 1 1 1 TRP HH2 H 6.588 -3.168 15.914 1.00 . A A . 1 TRP HH2 1 1 12 6435 1 1 1 TRP HZ2 H 7.068 -3.025 13.510 1.00 . A A . 1 TRP HZ2 1 1 12 6436 1 1 1 TRP HZ3 H 4.351 -2.734 16.785 1.00 . A A . 1 TRP HZ3 1 1 12 6437 1 1 1 TRP N N -0.330 -0.023 13.094 1.00 . A A . 1 TRP N 1 1 12 6438 1 1 1 TRP NE1 N 5.000 -2.346 11.669 1.00 . A A . 1 TRP NE1 1 1 12 6439 1 1 1 TRP O O 2.777 1.355 13.531 1.00 . A A . 1 TRP O 1 1 12 6440 1 1 2 CYS C C 2.100 3.696 11.596 1.00 . A A . 2 CYS C 1 1 12 6441 1 1 2 CYS CA C 2.559 2.381 10.979 1.00 . A A . 2 CYS CA 1 1 12 6442 1 1 2 CYS CB C 2.455 2.421 9.450 1.00 . A A . 2 CYS CB 1 1 12 6443 1 1 2 CYS H H 1.129 0.810 10.957 1.00 . A A . 2 CYS H 1 1 12 6444 1 1 2 CYS HA H 3.600 2.211 11.238 1.00 . A A . 2 CYS HA 1 1 12 6445 1 1 2 CYS HB2 H 2.817 3.372 9.085 1.00 . A A . 2 CYS HB2 1 1 12 6446 1 1 2 CYS HB3 H 3.083 1.639 9.046 1.00 . A A . 2 CYS HB3 1 1 12 6447 1 1 2 CYS N N 1.787 1.270 11.516 1.00 . A A . 2 CYS N 1 1 12 6448 1 1 2 CYS O O 0.934 4.080 11.490 1.00 . A A . 2 CYS O 1 1 12 6449 1 1 2 CYS SG S 0.773 2.150 8.806 1.00 . A A . 2 CYS SG 1 1 12 6450 1 1 3 SER C C 2.261 6.718 12.090 1.00 . A A . 3 SER C 1 1 12 6451 1 1 3 SER CA C 2.737 5.585 13.003 1.00 . A A . 3 SER CA 1 1 12 6452 1 1 3 SER CB C 3.986 6.018 13.769 1.00 . A A . 3 SER CB 1 1 12 6453 1 1 3 SER H H 3.945 3.997 12.307 1.00 . A A . 3 SER H 1 1 12 6454 1 1 3 SER HA H 1.956 5.362 13.716 1.00 . A A . 3 SER HA 1 1 12 6455 1 1 3 SER HB2 H 4.723 6.407 13.078 1.00 . A A . 3 SER HB2 1 1 12 6456 1 1 3 SER HB3 H 3.721 6.785 14.482 1.00 . A A . 3 SER HB3 1 1 12 6457 1 1 3 SER HG H 4.081 4.775 15.286 1.00 . A A . 3 SER HG 1 1 12 6458 1 1 3 SER N N 3.032 4.371 12.256 1.00 . A A . 3 SER N 1 1 12 6459 1 1 3 SER O O 1.566 7.630 12.533 1.00 . A A . 3 SER O 1 1 12 6460 1 1 3 SER OG O 4.560 4.923 14.466 1.00 . A A . 3 SER OG 1 1 12 6461 1 1 4 THR C C 1.062 7.265 9.022 1.00 . A A . 4 THR C 1 1 12 6462 1 1 4 THR CA C 2.261 7.702 9.872 1.00 . A A . 4 THR CA 1 1 12 6463 1 1 4 THR CB C 3.454 8.053 8.957 1.00 . A A . 4 THR CB 1 1 12 6464 1 1 4 THR CG2 C 3.300 9.452 8.374 1.00 . A A . 4 THR CG2 1 1 12 6465 1 1 4 THR H H 3.186 5.916 10.497 1.00 . A A . 4 THR H 1 1 12 6466 1 1 4 THR HA H 1.975 8.591 10.426 1.00 . A A . 4 THR HA 1 1 12 6467 1 1 4 THR HB H 3.521 7.346 8.139 1.00 . A A . 4 THR HB 1 1 12 6468 1 1 4 THR HG1 H 4.654 8.601 10.461 1.00 . A A . 4 THR HG1 1 1 12 6469 1 1 4 THR HG21 H 3.248 10.174 9.176 1.00 . A A . 4 THR HG21 1 1 12 6470 1 1 4 THR HG22 H 2.399 9.506 7.783 1.00 . A A . 4 THR HG22 1 1 12 6471 1 1 4 THR HG23 H 4.152 9.674 7.749 1.00 . A A . 4 THR HG23 1 1 12 6472 1 1 4 THR N N 2.629 6.659 10.819 1.00 . A A . 4 THR N 1 1 12 6473 1 1 4 THR O O 0.990 7.545 7.826 1.00 . A A . 4 THR O 1 1 12 6474 1 1 4 THR OG1 O 4.679 7.994 9.709 1.00 . A A . 4 THR OG1 1 1 12 6475 1 1 5 CYS C C -2.335 6.594 9.627 1.00 . A A . 5 CYS C 1 1 12 6476 1 1 5 CYS CA C -1.062 6.103 8.948 1.00 . A A . 5 CYS CA 1 1 12 6477 1 1 5 CYS CB C -1.059 4.576 8.858 1.00 . A A . 5 CYS CB 1 1 12 6478 1 1 5 CYS H H 0.201 6.368 10.600 1.00 . A A . 5 CYS H 1 1 12 6479 1 1 5 CYS HA H -1.056 6.496 7.936 1.00 . A A . 5 CYS HA 1 1 12 6480 1 1 5 CYS HB2 H -0.996 4.170 9.856 1.00 . A A . 5 CYS HB2 1 1 12 6481 1 1 5 CYS HB3 H -1.980 4.241 8.397 1.00 . A A . 5 CYS HB3 1 1 12 6482 1 1 5 CYS N N 0.120 6.574 9.648 1.00 . A A . 5 CYS N 1 1 12 6483 1 1 5 CYS O O -2.868 5.950 10.535 1.00 . A A . 5 CYS O 1 1 12 6484 1 1 5 CYS SG S 0.322 3.896 7.879 1.00 . A A . 5 CYS SG 1 1 12 6485 1 1 6 LEU C C -5.205 7.843 8.800 1.00 . A A . 6 LEU C 1 1 12 6486 1 1 6 LEU CA C -4.051 8.317 9.687 1.00 . A A . 6 LEU CA 1 1 12 6487 1 1 6 LEU CB C -3.975 9.856 9.729 1.00 . A A . 6 LEU CB 1 1 12 6488 1 1 6 LEU CD1 C -3.257 9.848 12.146 1.00 . A A . 6 LEU CD1 1 1 12 6489 1 1 6 LEU CD2 C -1.561 10.284 10.345 1.00 . A A . 6 LEU CD2 1 1 12 6490 1 1 6 LEU CG C -3.014 10.454 10.770 1.00 . A A . 6 LEU CG 1 1 12 6491 1 1 6 LEU H H -2.323 8.232 8.474 1.00 . A A . 6 LEU H 1 1 12 6492 1 1 6 LEU HA H -4.234 7.944 10.684 1.00 . A A . 6 LEU HA 1 1 12 6493 1 1 6 LEU HB2 H -3.686 10.210 8.755 1.00 . A A . 6 LEU HB2 1 1 12 6494 1 1 6 LEU HB3 H -4.951 10.253 9.949 1.00 . A A . 6 LEU HB3 1 1 12 6495 1 1 6 LEU HD11 H -2.687 10.397 12.881 1.00 . A A . 6 LEU HD11 1 1 12 6496 1 1 6 LEU HD12 H -2.945 8.813 12.156 1.00 . A A . 6 LEU HD12 1 1 12 6497 1 1 6 LEU HD13 H -4.308 9.909 12.394 1.00 . A A . 6 LEU HD13 1 1 12 6498 1 1 6 LEU HD21 H -0.935 10.901 10.973 1.00 . A A . 6 LEU HD21 1 1 12 6499 1 1 6 LEU HD22 H -1.440 10.591 9.315 1.00 . A A . 6 LEU HD22 1 1 12 6500 1 1 6 LEU HD23 H -1.259 9.252 10.450 1.00 . A A . 6 LEU HD23 1 1 12 6501 1 1 6 LEU HG H -3.211 11.514 10.847 1.00 . A A . 6 LEU HG 1 1 12 6502 1 1 6 LEU N N -2.803 7.756 9.193 1.00 . A A . 6 LEU N 1 1 12 6503 1 1 6 LEU O O -5.054 6.873 8.054 1.00 . A A . 6 LEU O 1 1 12 6504 1 1 7 ASP C C -7.392 8.598 6.634 1.00 . A A . 7 ASP C 1 1 12 6505 1 1 7 ASP CA C -7.514 8.117 8.078 1.00 . A A . 7 ASP CA 1 1 12 6506 1 1 7 ASP CB C -8.812 8.652 8.696 1.00 . A A . 7 ASP CB 1 1 12 6507 1 1 7 ASP CG C -9.103 8.061 10.059 1.00 . A A . 7 ASP CG 1 1 12 6508 1 1 7 ASP H H -6.442 9.281 9.471 1.00 . A A . 7 ASP H 1 1 12 6509 1 1 7 ASP HA H -7.561 7.033 8.068 1.00 . A A . 7 ASP HA 1 1 12 6510 1 1 7 ASP HB2 H -8.736 9.723 8.802 1.00 . A A . 7 ASP HB2 1 1 12 6511 1 1 7 ASP HB3 H -9.645 8.418 8.044 1.00 . A A . 7 ASP HB3 1 1 12 6512 1 1 7 ASP N N -6.350 8.517 8.866 1.00 . A A . 7 ASP N 1 1 12 6513 1 1 7 ASP O O -8.222 9.363 6.146 1.00 . A A . 7 ASP O 1 1 12 6514 1 1 7 ASP OD1 O -9.716 6.972 10.125 1.00 . A A . 7 ASP OD1 1 1 12 6515 1 1 7 ASP OD2 O -8.722 8.683 11.076 1.00 . A A . 7 ASP OD2 1 1 12 6516 1 1 8 LEU C C -6.942 7.591 3.617 1.00 . A A . 8 LEU C 1 1 12 6517 1 1 8 LEU CA C -6.126 8.481 4.550 1.00 . A A . 8 LEU CA 1 1 12 6518 1 1 8 LEU CB C -4.635 8.358 4.198 1.00 . A A . 8 LEU CB 1 1 12 6519 1 1 8 LEU CD1 C -3.618 9.616 6.130 1.00 . A A . 8 LEU CD1 1 1 12 6520 1 1 8 LEU CD2 C -2.374 9.417 3.978 1.00 . A A . 8 LEU CD2 1 1 12 6521 1 1 8 LEU CG C -3.746 9.535 4.620 1.00 . A A . 8 LEU CG 1 1 12 6522 1 1 8 LEU H H -5.747 7.488 6.373 1.00 . A A . 8 LEU H 1 1 12 6523 1 1 8 LEU HA H -6.437 9.509 4.400 1.00 . A A . 8 LEU HA 1 1 12 6524 1 1 8 LEU HB2 H -4.250 7.457 4.656 1.00 . A A . 8 LEU HB2 1 1 12 6525 1 1 8 LEU HB3 H -4.539 8.252 3.123 1.00 . A A . 8 LEU HB3 1 1 12 6526 1 1 8 LEU HD11 H -3.230 8.683 6.514 1.00 . A A . 8 LEU HD11 1 1 12 6527 1 1 8 LEU HD12 H -4.586 9.809 6.564 1.00 . A A . 8 LEU HD12 1 1 12 6528 1 1 8 LEU HD13 H -2.946 10.420 6.398 1.00 . A A . 8 LEU HD13 1 1 12 6529 1 1 8 LEU HD21 H -1.887 8.513 4.319 1.00 . A A . 8 LEU HD21 1 1 12 6530 1 1 8 LEU HD22 H -1.771 10.273 4.248 1.00 . A A . 8 LEU HD22 1 1 12 6531 1 1 8 LEU HD23 H -2.479 9.382 2.903 1.00 . A A . 8 LEU HD23 1 1 12 6532 1 1 8 LEU HG H -4.195 10.455 4.276 1.00 . A A . 8 LEU HG 1 1 12 6533 1 1 8 LEU N N -6.363 8.122 5.947 1.00 . A A . 8 LEU N 1 1 12 6534 1 1 8 LEU O O -6.529 7.333 2.484 1.00 . A A . 8 LEU O 1 1 12 6535 1 1 9 ALA C C -9.267 6.551 1.975 1.00 . A A . 9 ALA C 1 1 12 6536 1 1 9 ALA CA C -8.953 6.173 3.422 1.00 . A A . 9 ALA CA 1 1 12 6537 1 1 9 ALA CB C -10.241 5.967 4.203 1.00 . A A . 9 ALA CB 1 1 12 6538 1 1 9 ALA H H -8.393 7.440 4.984 1.00 . A A . 9 ALA H 1 1 12 6539 1 1 9 ALA HA H -8.416 5.234 3.428 1.00 . A A . 9 ALA HA 1 1 12 6540 1 1 9 ALA HB1 H -10.002 5.701 5.222 1.00 . A A . 9 ALA HB1 1 1 12 6541 1 1 9 ALA HB2 H -10.818 5.172 3.752 1.00 . A A . 9 ALA HB2 1 1 12 6542 1 1 9 ALA HB3 H -10.820 6.880 4.198 1.00 . A A . 9 ALA HB3 1 1 12 6543 1 1 9 ALA N N -8.112 7.166 4.098 1.00 . A A . 9 ALA N 1 1 12 6544 1 1 9 ALA O O -10.315 7.125 1.684 1.00 . A A . 9 ALA O 1 1 12 6545 1 1 10 CYS C C -8.589 7.935 -0.641 1.00 . A A . 10 CYS C 1 1 12 6546 1 1 10 CYS CA C -8.463 6.449 -0.343 1.00 . A A . 10 CYS CA 1 1 12 6547 1 1 10 CYS CB C -9.648 5.665 -0.913 1.00 . A A . 10 CYS CB 1 1 12 6548 1 1 10 CYS H H -7.517 5.766 1.405 1.00 . A A . 10 CYS H 1 1 12 6549 1 1 10 CYS HA H -7.561 6.145 -0.764 1.00 . A A . 10 CYS HA 1 1 12 6550 1 1 10 CYS HB2 H -9.723 4.720 -0.394 1.00 . A A . 10 CYS HB2 1 1 12 6551 1 1 10 CYS HB3 H -10.564 6.220 -0.754 1.00 . A A . 10 CYS HB3 1 1 12 6552 1 1 10 CYS N N -8.332 6.220 1.090 1.00 . A A . 10 CYS N 1 1 12 6553 1 1 10 CYS O O -9.330 8.348 -1.532 1.00 . A A . 10 CYS O 1 1 12 6554 1 1 10 CYS SG S -9.536 5.282 -2.700 1.00 . A A . 10 CYS SG 1 1 12 6555 1 1 11 THR C C -6.899 10.486 -1.294 1.00 . A A . 11 THR C 1 1 12 6556 1 1 11 THR CA C -7.816 10.169 -0.113 1.00 . A A . 11 THR CA 1 1 12 6557 1 1 11 THR CB C -7.349 10.930 1.151 1.00 . A A . 11 THR CB 1 1 12 6558 1 1 11 THR CG2 C -5.935 10.527 1.545 1.00 . A A . 11 THR CG2 1 1 12 6559 1 1 11 THR H H -7.262 8.345 0.799 1.00 . A A . 11 THR H 1 1 12 6560 1 1 11 THR HA H -8.820 10.497 -0.360 1.00 . A A . 11 THR HA 1 1 12 6561 1 1 11 THR HB H -8.008 10.686 1.973 1.00 . A A . 11 THR HB 1 1 12 6562 1 1 11 THR HG1 H -8.307 12.650 1.023 1.00 . A A . 11 THR HG1 1 1 12 6563 1 1 11 THR HG21 H -5.846 9.459 1.602 1.00 . A A . 11 THR HG21 1 1 12 6564 1 1 11 THR HG22 H -5.703 10.951 2.510 1.00 . A A . 11 THR HG22 1 1 12 6565 1 1 11 THR HG23 H -5.235 10.908 0.816 1.00 . A A . 11 THR HG23 1 1 12 6566 1 1 11 THR N N -7.843 8.735 0.112 1.00 . A A . 11 THR N 1 1 12 6567 1 1 11 THR O O -7.019 11.529 -1.938 1.00 . A A . 11 THR O 1 1 12 6568 1 1 11 THR OG1 O -7.402 12.343 0.931 1.00 . A A . 11 THR OG1 1 1 12 6569 1 1 12 GLY C C -4.162 8.528 -2.818 1.00 . A A . 12 GLY C 1 1 12 6570 1 1 12 GLY CA C -5.083 9.718 -2.688 1.00 . A A . 12 GLY CA 1 1 12 6571 1 1 12 GLY H H -5.952 8.733 -1.049 1.00 . A A . 12 GLY H 1 1 12 6572 1 1 12 GLY HA2 H -5.649 9.839 -3.604 1.00 . A A . 12 GLY HA2 1 1 12 6573 1 1 12 GLY HA3 H -4.484 10.604 -2.526 1.00 . A A . 12 GLY HA3 1 1 12 6574 1 1 12 GLY N N -5.999 9.556 -1.585 1.00 . A A . 12 GLY N 1 1 12 6575 1 1 12 GLY O O -3.638 8.036 -1.820 1.00 . A A . 12 GLY O 1 1 12 6576 1 1 13 SER C C -1.674 7.210 -3.906 1.00 . A A . 13 SER C 1 1 12 6577 1 1 13 SER CA C -3.121 6.897 -4.282 1.00 . A A . 13 SER CA 1 1 12 6578 1 1 13 SER CB C -3.217 6.475 -5.750 1.00 . A A . 13 SER CB 1 1 12 6579 1 1 13 SER H H -4.415 8.494 -4.802 1.00 . A A . 13 SER H 1 1 12 6580 1 1 13 SER HA H -3.474 6.083 -3.661 1.00 . A A . 13 SER HA 1 1 12 6581 1 1 13 SER HB2 H -2.719 7.204 -6.375 1.00 . A A . 13 SER HB2 1 1 12 6582 1 1 13 SER HB3 H -2.749 5.510 -5.878 1.00 . A A . 13 SER HB3 1 1 12 6583 1 1 13 SER HG H -4.612 6.272 -7.111 1.00 . A A . 13 SER HG 1 1 12 6584 1 1 13 SER N N -3.965 8.058 -4.038 1.00 . A A . 13 SER N 1 1 12 6585 1 1 13 SER O O -1.001 6.409 -3.253 1.00 . A A . 13 SER O 1 1 12 6586 1 1 13 SER OG O -4.571 6.384 -6.158 1.00 . A A . 13 SER OG 1 1 12 6587 1 1 14 LYS C C 0.260 9.151 -2.489 1.00 . A A . 14 LYS C 1 1 12 6588 1 1 14 LYS CA C 0.142 8.824 -3.972 1.00 . A A . 14 LYS CA 1 1 12 6589 1 1 14 LYS CB C 0.534 10.034 -4.821 1.00 . A A . 14 LYS CB 1 1 12 6590 1 1 14 LYS CD C 0.845 11.017 -7.115 1.00 . A A . 14 LYS CD 1 1 12 6591 1 1 14 LYS CE C 0.760 10.777 -8.614 1.00 . A A . 14 LYS CE 1 1 12 6592 1 1 14 LYS CG C 0.497 9.767 -6.318 1.00 . A A . 14 LYS CG 1 1 12 6593 1 1 14 LYS H H -1.809 9.019 -4.767 1.00 . A A . 14 LYS H 1 1 12 6594 1 1 14 LYS HA H 0.798 8.027 -4.182 1.00 . A A . 14 LYS HA 1 1 12 6595 1 1 14 LYS HB2 H -0.147 10.846 -4.603 1.00 . A A . 14 LYS HB2 1 1 12 6596 1 1 14 LYS HB3 H 1.539 10.337 -4.557 1.00 . A A . 14 LYS HB3 1 1 12 6597 1 1 14 LYS HD2 H 0.155 11.807 -6.853 1.00 . A A . 14 LYS HD2 1 1 12 6598 1 1 14 LYS HD3 H 1.852 11.322 -6.867 1.00 . A A . 14 LYS HD3 1 1 12 6599 1 1 14 LYS HE2 H -0.226 10.408 -8.857 1.00 . A A . 14 LYS HE2 1 1 12 6600 1 1 14 LYS HE3 H 0.923 11.717 -9.122 1.00 . A A . 14 LYS HE3 1 1 12 6601 1 1 14 LYS HG2 H 1.211 8.991 -6.549 1.00 . A A . 14 LYS HG2 1 1 12 6602 1 1 14 LYS HG3 H -0.497 9.439 -6.590 1.00 . A A . 14 LYS HG3 1 1 12 6603 1 1 14 LYS HZ1 H 1.574 8.855 -8.689 1.00 . A A . 14 LYS HZ1 1 1 12 6604 1 1 14 LYS HZ2 H 2.729 10.089 -8.793 1.00 . A A . 14 LYS HZ2 1 1 12 6605 1 1 14 LYS HZ3 H 1.746 9.732 -10.122 1.00 . A A . 14 LYS HZ3 1 1 12 6606 1 1 14 LYS N N -1.217 8.400 -4.277 1.00 . A A . 14 LYS N 1 1 12 6607 1 1 14 LYS NZ N 1.772 9.796 -9.084 1.00 . A A . 14 LYS NZ 1 1 12 6608 1 1 14 LYS O O 1.329 9.014 -1.889 1.00 . A A . 14 LYS O 1 1 12 6609 1 1 15 ASP C C -0.814 8.498 0.288 1.00 . A A . 15 ASP C 1 1 12 6610 1 1 15 ASP CA C -0.925 9.813 -0.468 1.00 . A A . 15 ASP CA 1 1 12 6611 1 1 15 ASP CB C -2.231 10.517 -0.087 1.00 . A A . 15 ASP CB 1 1 12 6612 1 1 15 ASP CG C -2.246 11.981 -0.474 1.00 . A A . 15 ASP CG 1 1 12 6613 1 1 15 ASP H H -1.677 9.673 -2.433 1.00 . A A . 15 ASP H 1 1 12 6614 1 1 15 ASP HA H -0.088 10.441 -0.183 1.00 . A A . 15 ASP HA 1 1 12 6615 1 1 15 ASP HB2 H -3.053 10.032 -0.585 1.00 . A A . 15 ASP HB2 1 1 12 6616 1 1 15 ASP HB3 H -2.380 10.453 0.984 1.00 . A A . 15 ASP HB3 1 1 12 6617 1 1 15 ASP N N -0.852 9.579 -1.905 1.00 . A A . 15 ASP N 1 1 12 6618 1 1 15 ASP O O -0.285 8.456 1.391 1.00 . A A . 15 ASP O 1 1 12 6619 1 1 15 ASP OD1 O -2.343 12.285 -1.681 1.00 . A A . 15 ASP OD1 1 1 12 6620 1 1 15 ASP OD2 O -2.182 12.843 0.431 1.00 . A A . 15 ASP OD2 1 1 12 6621 1 1 16 CYS C C 0.129 5.459 0.045 1.00 . A A . 16 CYS C 1 1 12 6622 1 1 16 CYS CA C -1.240 6.098 0.280 1.00 . A A . 16 CYS CA 1 1 12 6623 1 1 16 CYS CB C -2.334 5.183 -0.278 1.00 . A A . 16 CYS CB 1 1 12 6624 1 1 16 CYS H H -1.743 7.520 -1.198 1.00 . A A . 16 CYS H 1 1 12 6625 1 1 16 CYS HA H -1.390 6.194 1.349 1.00 . A A . 16 CYS HA 1 1 12 6626 1 1 16 CYS HB2 H -2.247 5.172 -1.356 1.00 . A A . 16 CYS HB2 1 1 12 6627 1 1 16 CYS HB3 H -2.187 4.190 0.082 1.00 . A A . 16 CYS HB3 1 1 12 6628 1 1 16 CYS N N -1.322 7.429 -0.315 1.00 . A A . 16 CYS N 1 1 12 6629 1 1 16 CYS O O 0.590 4.653 0.857 1.00 . A A . 16 CYS O 1 1 12 6630 1 1 16 CYS SG S -4.038 5.709 0.111 1.00 . A A . 16 CYS SG 1 1 12 6631 1 1 17 TYR C C 3.100 5.515 -0.280 1.00 . A A . 17 TYR C 1 1 12 6632 1 1 17 TYR CA C 2.092 5.271 -1.402 1.00 . A A . 17 TYR CA 1 1 12 6633 1 1 17 TYR CB C 2.630 5.889 -2.700 1.00 . A A . 17 TYR CB 1 1 12 6634 1 1 17 TYR CD1 C 1.255 4.238 -4.035 1.00 . A A . 17 TYR CD1 1 1 12 6635 1 1 17 TYR CD2 C 1.869 6.291 -5.071 1.00 . A A . 17 TYR CD2 1 1 12 6636 1 1 17 TYR CE1 C 0.594 3.852 -5.185 1.00 . A A . 17 TYR CE1 1 1 12 6637 1 1 17 TYR CE2 C 1.211 5.912 -6.223 1.00 . A A . 17 TYR CE2 1 1 12 6638 1 1 17 TYR CG C 1.901 5.464 -3.956 1.00 . A A . 17 TYR CG 1 1 12 6639 1 1 17 TYR CZ C 0.576 4.692 -6.276 1.00 . A A . 17 TYR CZ 1 1 12 6640 1 1 17 TYR H H 0.356 6.454 -1.688 1.00 . A A . 17 TYR H 1 1 12 6641 1 1 17 TYR HA H 1.996 4.207 -1.519 1.00 . A A . 17 TYR HA 1 1 12 6642 1 1 17 TYR HB2 H 2.562 6.965 -2.621 1.00 . A A . 17 TYR HB2 1 1 12 6643 1 1 17 TYR HB3 H 3.672 5.614 -2.824 1.00 . A A . 17 TYR HB3 1 1 12 6644 1 1 17 TYR HD1 H 1.262 3.566 -3.195 1.00 . A A . 17 TYR HD1 1 1 12 6645 1 1 17 TYR HD2 H 2.378 7.245 -5.038 1.00 . A A . 17 TYR HD2 1 1 12 6646 1 1 17 TYR HE1 H 0.100 2.916 -5.232 1.00 . A A . 17 TYR HE1 1 1 12 6647 1 1 17 TYR HE2 H 1.199 6.571 -7.079 1.00 . A A . 17 TYR HE2 1 1 12 6648 1 1 17 TYR HH H -0.972 4.666 -7.418 1.00 . A A . 17 TYR HH 1 1 12 6649 1 1 17 TYR N N 0.773 5.813 -1.067 1.00 . A A . 17 TYR N 1 1 12 6650 1 1 17 TYR O O 3.892 4.632 0.056 1.00 . A A . 17 TYR O 1 1 12 6651 1 1 17 TYR OH O -0.081 4.308 -7.424 1.00 . A A . 17 TYR OH 1 1 12 6652 1 1 18 ALA C C 3.931 6.185 2.576 1.00 . A A . 18 ALA C 1 1 12 6653 1 1 18 ALA CA C 4.023 7.091 1.334 1.00 . A A . 18 ALA CA 1 1 12 6654 1 1 18 ALA CB C 3.872 8.568 1.699 1.00 . A A . 18 ALA CB 1 1 12 6655 1 1 18 ALA H H 2.398 7.374 -0.001 1.00 . A A . 18 ALA H 1 1 12 6656 1 1 18 ALA HA H 5.013 6.969 0.908 1.00 . A A . 18 ALA HA 1 1 12 6657 1 1 18 ALA HB1 H 4.650 9.132 1.206 1.00 . A A . 18 ALA HB1 1 1 12 6658 1 1 18 ALA HB2 H 3.962 8.708 2.769 1.00 . A A . 18 ALA HB2 1 1 12 6659 1 1 18 ALA HB3 H 2.911 8.939 1.373 1.00 . A A . 18 ALA HB3 1 1 12 6660 1 1 18 ALA N N 3.059 6.709 0.305 1.00 . A A . 18 ALA N 1 1 12 6661 1 1 18 ALA O O 4.919 5.546 2.934 1.00 . A A . 18 ALA O 1 1 12 6662 1 1 19 PRO C C 2.800 3.744 4.059 1.00 . A A . 19 PRO C 1 1 12 6663 1 1 19 PRO CA C 2.596 5.211 4.416 1.00 . A A . 19 PRO CA 1 1 12 6664 1 1 19 PRO CB C 1.152 5.453 4.876 1.00 . A A . 19 PRO CB 1 1 12 6665 1 1 19 PRO CD C 1.519 6.838 2.974 1.00 . A A . 19 PRO CD 1 1 12 6666 1 1 19 PRO CG C 0.770 6.757 4.272 1.00 . A A . 19 PRO CG 1 1 12 6667 1 1 19 PRO HA H 3.274 5.483 5.209 1.00 . A A . 19 PRO HA 1 1 12 6668 1 1 19 PRO HB2 H 0.494 4.659 4.549 1.00 . A A . 19 PRO HB2 1 1 12 6669 1 1 19 PRO HB3 H 1.140 5.524 5.941 1.00 . A A . 19 PRO HB3 1 1 12 6670 1 1 19 PRO HD2 H 0.956 6.386 2.203 1.00 . A A . 19 PRO HD2 1 1 12 6671 1 1 19 PRO HD3 H 1.717 7.862 2.743 1.00 . A A . 19 PRO HD3 1 1 12 6672 1 1 19 PRO HG2 H -0.295 6.782 4.094 1.00 . A A . 19 PRO HG2 1 1 12 6673 1 1 19 PRO HG3 H 1.063 7.566 4.925 1.00 . A A . 19 PRO HG3 1 1 12 6674 1 1 19 PRO N N 2.759 6.094 3.254 1.00 . A A . 19 PRO N 1 1 12 6675 1 1 19 PRO O O 3.306 2.971 4.869 1.00 . A A . 19 PRO O 1 1 12 6676 1 1 20 CYS C C 4.133 1.702 2.332 1.00 . A A . 20 CYS C 1 1 12 6677 1 1 20 CYS CA C 2.638 1.998 2.379 1.00 . A A . 20 CYS CA 1 1 12 6678 1 1 20 CYS CB C 2.011 1.769 1.001 1.00 . A A . 20 CYS CB 1 1 12 6679 1 1 20 CYS H H 2.021 4.019 2.222 1.00 . A A . 20 CYS H 1 1 12 6680 1 1 20 CYS HA H 2.174 1.324 3.089 1.00 . A A . 20 CYS HA 1 1 12 6681 1 1 20 CYS HB2 H 0.955 1.987 1.054 1.00 . A A . 20 CYS HB2 1 1 12 6682 1 1 20 CYS HB3 H 2.471 2.438 0.287 1.00 . A A . 20 CYS HB3 1 1 12 6683 1 1 20 CYS N N 2.418 3.363 2.841 1.00 . A A . 20 CYS N 1 1 12 6684 1 1 20 CYS O O 4.579 0.643 2.777 1.00 . A A . 20 CYS O 1 1 12 6685 1 1 20 CYS SG S 2.208 0.068 0.373 1.00 . A A . 20 CYS SG 1 1 12 6686 1 1 21 ARG C C 6.908 2.507 3.211 1.00 . A A . 21 ARG C 1 1 12 6687 1 1 21 ARG CA C 6.357 2.532 1.790 1.00 . A A . 21 ARG CA 1 1 12 6688 1 1 21 ARG CB C 6.980 3.689 1.004 1.00 . A A . 21 ARG CB 1 1 12 6689 1 1 21 ARG CD C 9.080 4.823 0.209 1.00 . A A . 21 ARG CD 1 1 12 6690 1 1 21 ARG CG C 8.497 3.650 0.977 1.00 . A A . 21 ARG CG 1 1 12 6691 1 1 21 ARG CZ C 11.313 5.511 -0.585 1.00 . A A . 21 ARG CZ 1 1 12 6692 1 1 21 ARG H H 4.494 3.490 1.490 1.00 . A A . 21 ARG H 1 1 12 6693 1 1 21 ARG HA H 6.612 1.601 1.303 1.00 . A A . 21 ARG HA 1 1 12 6694 1 1 21 ARG HB2 H 6.618 3.649 -0.014 1.00 . A A . 21 ARG HB2 1 1 12 6695 1 1 21 ARG HB3 H 6.669 4.622 1.452 1.00 . A A . 21 ARG HB3 1 1 12 6696 1 1 21 ARG HD2 H 8.761 4.737 -0.820 1.00 . A A . 21 ARG HD2 1 1 12 6697 1 1 21 ARG HD3 H 8.700 5.745 0.629 1.00 . A A . 21 ARG HD3 1 1 12 6698 1 1 21 ARG HE H 10.977 4.341 0.998 1.00 . A A . 21 ARG HE 1 1 12 6699 1 1 21 ARG HG2 H 8.877 3.687 1.986 1.00 . A A . 21 ARG HG2 1 1 12 6700 1 1 21 ARG HG3 H 8.814 2.732 0.505 1.00 . A A . 21 ARG HG3 1 1 12 6701 1 1 21 ARG HH11 H 9.779 6.234 -1.714 1.00 . A A . 21 ARG HH11 1 1 12 6702 1 1 21 ARG HH12 H 11.357 6.697 -2.220 1.00 . A A . 21 ARG HH12 1 1 12 6703 1 1 21 ARG HH21 H 13.046 4.996 0.329 1.00 . A A . 21 ARG HH21 1 1 12 6704 1 1 21 ARG HH22 H 13.217 6.006 -1.068 1.00 . A A . 21 ARG HH22 1 1 12 6705 1 1 21 ARG N N 4.906 2.655 1.816 1.00 . A A . 21 ARG N 1 1 12 6706 1 1 21 ARG NE N 10.542 4.841 0.268 1.00 . A A . 21 ARG NE 1 1 12 6707 1 1 21 ARG NH1 N 10.766 6.199 -1.582 1.00 . A A . 21 ARG NH1 1 1 12 6708 1 1 21 ARG NH2 N 12.631 5.504 -0.429 1.00 . A A . 21 ARG NH2 1 1 12 6709 1 1 21 ARG O O 7.830 1.755 3.519 1.00 . A A . 21 ARG O 1 1 12 6710 1 1 22 LYS C C 6.456 2.044 6.172 1.00 . A A . 22 LYS C 1 1 12 6711 1 1 22 LYS CA C 6.714 3.378 5.481 1.00 . A A . 22 LYS CA 1 1 12 6712 1 1 22 LYS CB C 5.952 4.498 6.200 1.00 . A A . 22 LYS CB 1 1 12 6713 1 1 22 LYS CD C 7.821 6.187 6.111 1.00 . A A . 22 LYS CD 1 1 12 6714 1 1 22 LYS CE C 8.044 6.250 7.616 1.00 . A A . 22 LYS CE 1 1 12 6715 1 1 22 LYS CG C 6.366 5.897 5.766 1.00 . A A . 22 LYS CG 1 1 12 6716 1 1 22 LYS H H 5.581 3.901 3.772 1.00 . A A . 22 LYS H 1 1 12 6717 1 1 22 LYS HA H 7.772 3.573 5.527 1.00 . A A . 22 LYS HA 1 1 12 6718 1 1 22 LYS HB2 H 4.904 4.383 5.991 1.00 . A A . 22 LYS HB2 1 1 12 6719 1 1 22 LYS HB3 H 6.097 4.410 7.266 1.00 . A A . 22 LYS HB3 1 1 12 6720 1 1 22 LYS HD2 H 8.463 5.433 5.690 1.00 . A A . 22 LYS HD2 1 1 12 6721 1 1 22 LYS HD3 H 8.084 7.146 5.688 1.00 . A A . 22 LYS HD3 1 1 12 6722 1 1 22 LYS HE2 H 7.778 5.306 8.062 1.00 . A A . 22 LYS HE2 1 1 12 6723 1 1 22 LYS HE3 H 9.092 6.441 7.796 1.00 . A A . 22 LYS HE3 1 1 12 6724 1 1 22 LYS HG2 H 6.251 5.980 4.702 1.00 . A A . 22 LYS HG2 1 1 12 6725 1 1 22 LYS HG3 H 5.730 6.622 6.251 1.00 . A A . 22 LYS HG3 1 1 12 6726 1 1 22 LYS HZ1 H 7.569 7.481 9.229 1.00 . A A . 22 LYS HZ1 1 1 12 6727 1 1 22 LYS HZ2 H 6.241 7.080 8.269 1.00 . A A . 22 LYS HZ2 1 1 12 6728 1 1 22 LYS HZ3 H 7.360 8.230 7.727 1.00 . A A . 22 LYS HZ3 1 1 12 6729 1 1 22 LYS N N 6.322 3.325 4.075 1.00 . A A . 22 LYS N 1 1 12 6730 1 1 22 LYS NZ N 7.248 7.335 8.250 1.00 . A A . 22 LYS NZ 1 1 12 6731 1 1 22 LYS O O 7.197 1.645 7.067 1.00 . A A . 22 LYS O 1 1 12 6732 1 1 23 GLN C C 5.805 -1.071 5.748 1.00 . A A . 23 GLN C 1 1 12 6733 1 1 23 GLN CA C 5.018 0.092 6.350 1.00 . A A . 23 GLN CA 1 1 12 6734 1 1 23 GLN CB C 3.516 -0.143 6.162 1.00 . A A . 23 GLN CB 1 1 12 6735 1 1 23 GLN CD C 1.548 -1.692 6.492 1.00 . A A . 23 GLN CD 1 1 12 6736 1 1 23 GLN CG C 3.006 -1.425 6.804 1.00 . A A . 23 GLN CG 1 1 12 6737 1 1 23 GLN H H 4.842 1.724 5.025 1.00 . A A . 23 GLN H 1 1 12 6738 1 1 23 GLN HA H 5.227 0.136 7.412 1.00 . A A . 23 GLN HA 1 1 12 6739 1 1 23 GLN HB2 H 2.980 0.687 6.599 1.00 . A A . 23 GLN HB2 1 1 12 6740 1 1 23 GLN HB3 H 3.299 -0.179 5.102 1.00 . A A . 23 GLN HB3 1 1 12 6741 1 1 23 GLN HE21 H 1.302 -2.627 8.239 1.00 . A A . 23 GLN HE21 1 1 12 6742 1 1 23 GLN HE22 H -0.091 -2.527 7.222 1.00 . A A . 23 GLN HE22 1 1 12 6743 1 1 23 GLN HG2 H 3.583 -2.263 6.442 1.00 . A A . 23 GLN HG2 1 1 12 6744 1 1 23 GLN HG3 H 3.125 -1.344 7.875 1.00 . A A . 23 GLN HG3 1 1 12 6745 1 1 23 GLN N N 5.403 1.359 5.748 1.00 . A A . 23 GLN N 1 1 12 6746 1 1 23 GLN NE2 N 0.854 -2.346 7.409 1.00 . A A . 23 GLN NE2 1 1 12 6747 1 1 23 GLN O O 6.517 -1.787 6.457 1.00 . A A . 23 GLN O 1 1 12 6748 1 1 23 GLN OE1 O 1.048 -1.315 5.434 1.00 . A A . 23 GLN OE1 1 1 12 6749 1 1 24 THR C C 7.663 -2.168 3.273 1.00 . A A . 24 THR C 1 1 12 6750 1 1 24 THR CA C 6.242 -2.412 3.772 1.00 . A A . 24 THR CA 1 1 12 6751 1 1 24 THR CB C 5.367 -2.830 2.575 1.00 . A A . 24 THR CB 1 1 12 6752 1 1 24 THR CG2 C 3.951 -3.174 3.023 1.00 . A A . 24 THR CG2 1 1 12 6753 1 1 24 THR H H 5.116 -0.631 3.924 1.00 . A A . 24 THR H 1 1 12 6754 1 1 24 THR HA H 6.268 -3.237 4.475 1.00 . A A . 24 THR HA 1 1 12 6755 1 1 24 THR HB H 5.792 -3.710 2.106 1.00 . A A . 24 THR HB 1 1 12 6756 1 1 24 THR HG1 H 5.111 -2.129 0.742 1.00 . A A . 24 THR HG1 1 1 12 6757 1 1 24 THR HG21 H 3.499 -2.311 3.491 1.00 . A A . 24 THR HG21 1 1 12 6758 1 1 24 THR HG22 H 3.983 -3.991 3.729 1.00 . A A . 24 THR HG22 1 1 12 6759 1 1 24 THR HG23 H 3.364 -3.465 2.164 1.00 . A A . 24 THR HG23 1 1 12 6760 1 1 24 THR N N 5.687 -1.246 4.441 1.00 . A A . 24 THR N 1 1 12 6761 1 1 24 THR O O 8.484 -3.085 3.237 1.00 . A A . 24 THR O 1 1 12 6762 1 1 24 THR OG1 O 5.323 -1.769 1.607 1.00 . A A . 24 THR OG1 1 1 12 6763 1 1 25 GLY C C 9.017 -0.399 0.759 1.00 . A A . 25 GLY C 1 1 12 6764 1 1 25 GLY CA C 9.205 -0.625 2.246 1.00 . A A . 25 GLY CA 1 1 12 6765 1 1 25 GLY H H 7.265 -0.228 2.945 1.00 . A A . 25 GLY H 1 1 12 6766 1 1 25 GLY HA2 H 9.609 0.276 2.682 1.00 . A A . 25 GLY HA2 1 1 12 6767 1 1 25 GLY HA3 H 9.921 -1.425 2.389 1.00 . A A . 25 GLY HA3 1 1 12 6768 1 1 25 GLY N N 7.949 -0.931 2.897 1.00 . A A . 25 GLY N 1 1 12 6769 1 1 25 GLY O O 9.841 0.248 0.105 1.00 . A A . 25 GLY O 1 1 12 6770 1 1 26 CYS C C 6.570 0.311 -1.407 1.00 . A A . 26 CYS C 1 1 12 6771 1 1 26 CYS CA C 7.598 -0.798 -1.185 1.00 . A A . 26 CYS CA 1 1 12 6772 1 1 26 CYS CB C 7.083 -2.138 -1.724 1.00 . A A . 26 CYS CB 1 1 12 6773 1 1 26 CYS H H 7.282 -1.410 0.795 1.00 . A A . 26 CYS H 1 1 12 6774 1 1 26 CYS HA H 8.512 -0.560 -1.703 1.00 . A A . 26 CYS HA 1 1 12 6775 1 1 26 CYS HB2 H 6.222 -2.443 -1.149 1.00 . A A . 26 CYS HB2 1 1 12 6776 1 1 26 CYS HB3 H 6.797 -2.022 -2.761 1.00 . A A . 26 CYS HB3 1 1 12 6777 1 1 26 CYS N N 7.915 -0.919 0.233 1.00 . A A . 26 CYS N 1 1 12 6778 1 1 26 CYS O O 5.625 0.454 -0.636 1.00 . A A . 26 CYS O 1 1 12 6779 1 1 26 CYS SG S 8.316 -3.487 -1.640 1.00 . A A . 26 CYS SG 1 1 12 6780 1 1 27 PRO C C 4.714 1.999 -3.613 1.00 . A A . 27 PRO C 1 1 12 6781 1 1 27 PRO CA C 5.919 2.291 -2.717 1.00 . A A . 27 PRO CA 1 1 12 6782 1 1 27 PRO CB C 6.895 3.211 -3.431 1.00 . A A . 27 PRO CB 1 1 12 6783 1 1 27 PRO CD C 7.806 0.980 -3.486 1.00 . A A . 27 PRO CD 1 1 12 6784 1 1 27 PRO CG C 7.741 2.286 -4.243 1.00 . A A . 27 PRO CG 1 1 12 6785 1 1 27 PRO HA H 5.584 2.764 -1.803 1.00 . A A . 27 PRO HA 1 1 12 6786 1 1 27 PRO HB2 H 6.369 3.926 -4.053 1.00 . A A . 27 PRO HB2 1 1 12 6787 1 1 27 PRO HB3 H 7.490 3.738 -2.701 1.00 . A A . 27 PRO HB3 1 1 12 6788 1 1 27 PRO HD2 H 7.595 0.150 -4.145 1.00 . A A . 27 PRO HD2 1 1 12 6789 1 1 27 PRO HD3 H 8.779 0.871 -3.036 1.00 . A A . 27 PRO HD3 1 1 12 6790 1 1 27 PRO HG2 H 7.288 2.133 -5.211 1.00 . A A . 27 PRO HG2 1 1 12 6791 1 1 27 PRO HG3 H 8.732 2.701 -4.355 1.00 . A A . 27 PRO HG3 1 1 12 6792 1 1 27 PRO N N 6.755 1.122 -2.460 1.00 . A A . 27 PRO N 1 1 12 6793 1 1 27 PRO O O 4.124 2.915 -4.188 1.00 . A A . 27 PRO O 1 1 12 6794 1 1 28 ASN C C 2.017 0.007 -3.735 1.00 . A A . 28 ASN C 1 1 12 6795 1 1 28 ASN CA C 3.232 0.346 -4.580 1.00 . A A . 28 ASN CA 1 1 12 6796 1 1 28 ASN CB C 3.606 -0.833 -5.476 1.00 . A A . 28 ASN CB 1 1 12 6797 1 1 28 ASN CG C 4.481 -0.416 -6.641 1.00 . A A . 28 ASN CG 1 1 12 6798 1 1 28 ASN H H 4.842 0.027 -3.272 1.00 . A A . 28 ASN H 1 1 12 6799 1 1 28 ASN HA H 2.975 1.185 -5.223 1.00 . A A . 28 ASN HA 1 1 12 6800 1 1 28 ASN HB2 H 4.147 -1.563 -4.892 1.00 . A A . 28 ASN HB2 1 1 12 6801 1 1 28 ASN HB3 H 2.707 -1.294 -5.872 1.00 . A A . 28 ASN HB3 1 1 12 6802 1 1 28 ASN HD21 H 2.880 -0.229 -7.822 1.00 . A A . 28 ASN HD21 1 1 12 6803 1 1 28 ASN HD22 H 4.409 0.123 -8.545 1.00 . A A . 28 ASN HD22 1 1 12 6804 1 1 28 ASN N N 4.356 0.734 -3.738 1.00 . A A . 28 ASN N 1 1 12 6805 1 1 28 ASN ND2 N 3.860 -0.148 -7.780 1.00 . A A . 28 ASN ND2 1 1 12 6806 1 1 28 ASN O O 2.043 -0.925 -2.933 1.00 . A A . 28 ASN O 1 1 12 6807 1 1 28 ASN OD1 O 5.703 -0.340 -6.523 1.00 . A A . 28 ASN OD1 1 1 12 6808 1 1 29 ALA C C -1.495 0.999 -3.920 1.00 . A A . 29 ALA C 1 1 12 6809 1 1 29 ALA CA C -0.251 0.617 -3.129 1.00 . A A . 29 ALA CA 1 1 12 6810 1 1 29 ALA CB C -0.149 1.465 -1.869 1.00 . A A . 29 ALA CB 1 1 12 6811 1 1 29 ALA H H 0.996 1.481 -4.577 1.00 . A A . 29 ALA H 1 1 12 6812 1 1 29 ALA HA H -0.346 -0.417 -2.830 1.00 . A A . 29 ALA HA 1 1 12 6813 1 1 29 ALA HB1 H -0.548 0.913 -1.034 1.00 . A A . 29 ALA HB1 1 1 12 6814 1 1 29 ALA HB2 H -0.703 2.389 -1.984 1.00 . A A . 29 ALA HB2 1 1 12 6815 1 1 29 ALA HB3 H 0.886 1.703 -1.671 1.00 . A A . 29 ALA HB3 1 1 12 6816 1 1 29 ALA N N 0.951 0.772 -3.926 1.00 . A A . 29 ALA N 1 1 12 6817 1 1 29 ALA O O -1.409 1.480 -5.052 1.00 . A A . 29 ALA O 1 1 12 6818 1 1 30 LYS C C -4.886 1.478 -2.752 1.00 . A A . 30 LYS C 1 1 12 6819 1 1 30 LYS CA C -3.930 1.133 -3.881 1.00 . A A . 30 LYS CA 1 1 12 6820 1 1 30 LYS CB C -4.484 -0.035 -4.702 1.00 . A A . 30 LYS CB 1 1 12 6821 1 1 30 LYS CD C -6.360 -0.972 -6.085 1.00 . A A . 30 LYS CD 1 1 12 6822 1 1 30 LYS CE C -7.719 -0.703 -6.712 1.00 . A A . 30 LYS CE 1 1 12 6823 1 1 30 LYS CG C -5.855 0.229 -5.305 1.00 . A A . 30 LYS CG 1 1 12 6824 1 1 30 LYS H H -2.630 0.382 -2.403 1.00 . A A . 30 LYS H 1 1 12 6825 1 1 30 LYS HA H -3.806 1.999 -4.523 1.00 . A A . 30 LYS HA 1 1 12 6826 1 1 30 LYS HB2 H -3.795 -0.231 -5.503 1.00 . A A . 30 LYS HB2 1 1 12 6827 1 1 30 LYS HB3 H -4.547 -0.910 -4.068 1.00 . A A . 30 LYS HB3 1 1 12 6828 1 1 30 LYS HD2 H -5.662 -1.200 -6.873 1.00 . A A . 30 LYS HD2 1 1 12 6829 1 1 30 LYS HD3 H -6.444 -1.818 -5.418 1.00 . A A . 30 LYS HD3 1 1 12 6830 1 1 30 LYS HE2 H -8.050 -1.599 -7.215 1.00 . A A . 30 LYS HE2 1 1 12 6831 1 1 30 LYS HE3 H -8.423 -0.451 -5.931 1.00 . A A . 30 LYS HE3 1 1 12 6832 1 1 30 LYS HG2 H -6.558 0.447 -4.515 1.00 . A A . 30 LYS HG2 1 1 12 6833 1 1 30 LYS HG3 H -5.781 1.077 -5.969 1.00 . A A . 30 LYS HG3 1 1 12 6834 1 1 30 LYS HZ1 H -7.525 1.316 -7.212 1.00 . A A . 30 LYS HZ1 1 1 12 6835 1 1 30 LYS HZ2 H -8.567 0.455 -8.222 1.00 . A A . 30 LYS HZ2 1 1 12 6836 1 1 30 LYS HZ3 H -6.895 0.263 -8.380 1.00 . A A . 30 LYS HZ3 1 1 12 6837 1 1 30 LYS N N -2.644 0.777 -3.307 1.00 . A A . 30 LYS N 1 1 12 6838 1 1 30 LYS NZ N -7.670 0.409 -7.698 1.00 . A A . 30 LYS NZ 1 1 12 6839 1 1 30 LYS O O -4.842 0.862 -1.688 1.00 . A A . 30 LYS O 1 1 12 6840 1 1 31 CYS C C -8.021 2.249 -2.106 1.00 . A A . 31 CYS C 1 1 12 6841 1 1 31 CYS CA C -6.646 2.852 -1.896 1.00 . A A . 31 CYS CA 1 1 12 6842 1 1 31 CYS CB C -6.736 4.376 -1.772 1.00 . A A . 31 CYS CB 1 1 12 6843 1 1 31 CYS H H -5.748 2.947 -3.809 1.00 . A A . 31 CYS H 1 1 12 6844 1 1 31 CYS HA H -6.255 2.482 -0.958 1.00 . A A . 31 CYS HA 1 1 12 6845 1 1 31 CYS HB2 H -7.243 4.583 -0.872 1.00 . A A . 31 CYS HB2 1 1 12 6846 1 1 31 CYS HB3 H -5.740 4.758 -1.709 1.00 . A A . 31 CYS HB3 1 1 12 6847 1 1 31 CYS N N -5.738 2.461 -2.951 1.00 . A A . 31 CYS N 1 1 12 6848 1 1 31 CYS O O -8.579 2.286 -3.203 1.00 . A A . 31 CYS O 1 1 12 6849 1 1 31 CYS SG S -7.547 5.244 -3.161 1.00 . A A . 31 CYS SG 1 1 12 6850 1 1 32 ILE C C -10.687 2.029 -0.040 1.00 . A A . 32 ILE C 1 1 12 6851 1 1 32 ILE CA C -9.914 1.193 -1.041 1.00 . A A . 32 ILE CA 1 1 12 6852 1 1 32 ILE CB C -10.019 -0.302 -0.677 1.00 . A A . 32 ILE CB 1 1 12 6853 1 1 32 ILE CD1 C -9.429 -2.028 1.106 1.00 . A A . 32 ILE CD1 1 1 12 6854 1 1 32 ILE CG1 C -9.307 -0.592 0.650 1.00 . A A . 32 ILE CG1 1 1 12 6855 1 1 32 ILE CG2 C -9.443 -1.159 -1.797 1.00 . A A . 32 ILE CG2 1 1 12 6856 1 1 32 ILE H H -8.035 1.632 -0.210 1.00 . A A . 32 ILE H 1 1 12 6857 1 1 32 ILE HA H -10.359 1.339 -2.023 1.00 . A A . 32 ILE HA 1 1 12 6858 1 1 32 ILE HB H -11.066 -0.558 -0.578 1.00 . A A . 32 ILE HB 1 1 12 6859 1 1 32 ILE HD11 H -8.875 -2.669 0.439 1.00 . A A . 32 ILE HD11 1 1 12 6860 1 1 32 ILE HD12 H -10.469 -2.323 1.108 1.00 . A A . 32 ILE HD12 1 1 12 6861 1 1 32 ILE HD13 H -9.029 -2.121 2.105 1.00 . A A . 32 ILE HD13 1 1 12 6862 1 1 32 ILE HG12 H -8.256 -0.372 0.550 1.00 . A A . 32 ILE HG12 1 1 12 6863 1 1 32 ILE HG13 H -9.725 0.028 1.428 1.00 . A A . 32 ILE HG13 1 1 12 6864 1 1 32 ILE HG21 H -9.611 -2.204 -1.582 1.00 . A A . 32 ILE HG21 1 1 12 6865 1 1 32 ILE HG22 H -8.382 -0.976 -1.887 1.00 . A A . 32 ILE HG22 1 1 12 6866 1 1 32 ILE HG23 H -9.928 -0.909 -2.731 1.00 . A A . 32 ILE HG23 1 1 12 6867 1 1 32 ILE N N -8.544 1.655 -1.053 1.00 . A A . 32 ILE N 1 1 12 6868 1 1 32 ILE O O -10.098 2.557 0.911 1.00 . A A . 32 ILE O 1 1 12 6869 1 1 33 ASN C C -12.936 2.418 1.992 1.00 . A A . 33 ASN C 1 1 12 6870 1 1 33 ASN CA C -12.821 3.017 0.593 1.00 . A A . 33 ASN CA 1 1 12 6871 1 1 33 ASN CB C -14.201 3.223 -0.044 1.00 . A A . 33 ASN CB 1 1 12 6872 1 1 33 ASN CG C -15.124 4.086 0.801 1.00 . A A . 33 ASN CG 1 1 12 6873 1 1 33 ASN H H -12.394 1.741 -1.050 1.00 . A A . 33 ASN H 1 1 12 6874 1 1 33 ASN HA H -12.339 3.986 0.673 1.00 . A A . 33 ASN HA 1 1 12 6875 1 1 33 ASN HB2 H -14.077 3.696 -1.007 1.00 . A A . 33 ASN HB2 1 1 12 6876 1 1 33 ASN HB3 H -14.669 2.259 -0.183 1.00 . A A . 33 ASN HB3 1 1 12 6877 1 1 33 ASN HD21 H -14.306 5.759 0.073 1.00 . A A . 33 ASN HD21 1 1 12 6878 1 1 33 ASN HD22 H -15.575 5.969 1.226 1.00 . A A . 33 ASN HD22 1 1 12 6879 1 1 33 ASN N N -11.988 2.175 -0.261 1.00 . A A . 33 ASN N 1 1 12 6880 1 1 33 ASN ND2 N -14.986 5.400 0.687 1.00 . A A . 33 ASN ND2 1 1 12 6881 1 1 33 ASN O O -13.924 1.767 2.323 1.00 . A A . 33 ASN O 1 1 12 6882 1 1 33 ASN OD1 O -15.949 3.576 1.557 1.00 . A A . 33 ASN OD1 1 1 12 6883 1 1 34 LYS C C -10.281 2.397 4.587 1.00 . A A . 34 LYS C 1 1 12 6884 1 1 34 LYS CA C -11.719 2.158 4.140 1.00 . A A . 34 LYS CA 1 1 12 6885 1 1 34 LYS CB C -12.031 0.661 4.276 1.00 . A A . 34 LYS CB 1 1 12 6886 1 1 34 LYS CD C -13.596 -1.125 5.088 1.00 . A A . 34 LYS CD 1 1 12 6887 1 1 34 LYS CE C -15.012 -1.434 5.545 1.00 . A A . 34 LYS CE 1 1 12 6888 1 1 34 LYS CG C -13.401 0.364 4.865 1.00 . A A . 34 LYS CG 1 1 12 6889 1 1 34 LYS H H -11.141 3.179 2.392 1.00 . A A . 34 LYS H 1 1 12 6890 1 1 34 LYS HA H -12.377 2.734 4.777 1.00 . A A . 34 LYS HA 1 1 12 6891 1 1 34 LYS HB2 H -11.980 0.199 3.300 1.00 . A A . 34 LYS HB2 1 1 12 6892 1 1 34 LYS HB3 H -11.288 0.192 4.915 1.00 . A A . 34 LYS HB3 1 1 12 6893 1 1 34 LYS HD2 H -13.408 -1.653 4.163 1.00 . A A . 34 LYS HD2 1 1 12 6894 1 1 34 LYS HD3 H -12.902 -1.461 5.845 1.00 . A A . 34 LYS HD3 1 1 12 6895 1 1 34 LYS HE2 H -15.231 -0.855 6.432 1.00 . A A . 34 LYS HE2 1 1 12 6896 1 1 34 LYS HE3 H -15.700 -1.160 4.758 1.00 . A A . 34 LYS HE3 1 1 12 6897 1 1 34 LYS HG2 H -13.488 0.869 5.816 1.00 . A A . 34 LYS HG2 1 1 12 6898 1 1 34 LYS HG3 H -14.164 0.723 4.200 1.00 . A A . 34 LYS HG3 1 1 12 6899 1 1 34 LYS HZ1 H -14.547 -3.160 6.627 1.00 . A A . 34 LYS HZ1 1 1 12 6900 1 1 34 LYS HZ2 H -15.000 -3.457 5.022 1.00 . A A . 34 LYS HZ2 1 1 12 6901 1 1 34 LYS HZ3 H -16.171 -3.048 6.170 1.00 . A A . 34 LYS HZ3 1 1 12 6902 1 1 34 LYS N N -11.879 2.647 2.774 1.00 . A A . 34 LYS N 1 1 12 6903 1 1 34 LYS NZ N -15.193 -2.873 5.862 1.00 . A A . 34 LYS NZ 1 1 12 6904 1 1 34 LYS O O -10.032 2.892 5.684 1.00 . A A . 34 LYS O 1 1 12 6905 1 1 35 SER C C -7.052 2.074 2.795 1.00 . A A . 35 SER C 1 1 12 6906 1 1 35 SER CA C -7.916 2.139 4.057 1.00 . A A . 35 SER CA 1 1 12 6907 1 1 35 SER CB C -7.531 1.007 5.018 1.00 . A A . 35 SER CB 1 1 12 6908 1 1 35 SER H H -9.589 1.645 2.856 1.00 . A A . 35 SER H 1 1 12 6909 1 1 35 SER HA H -7.741 3.090 4.544 1.00 . A A . 35 SER HA 1 1 12 6910 1 1 35 SER HB2 H -8.187 1.032 5.876 1.00 . A A . 35 SER HB2 1 1 12 6911 1 1 35 SER HB3 H -7.635 0.054 4.517 1.00 . A A . 35 SER HB3 1 1 12 6912 1 1 35 SER HG H -5.914 0.331 5.900 1.00 . A A . 35 SER HG 1 1 12 6913 1 1 35 SER N N -9.333 2.040 3.721 1.00 . A A . 35 SER N 1 1 12 6914 1 1 35 SER O O -7.529 1.722 1.715 1.00 . A A . 35 SER O 1 1 12 6915 1 1 35 SER OG O -6.191 1.143 5.470 1.00 . A A . 35 SER OG 1 1 12 6916 1 1 36 CYS C C -4.208 0.853 1.947 1.00 . A A . 36 CYS C 1 1 12 6917 1 1 36 CYS CA C -4.822 2.248 1.860 1.00 . A A . 36 CYS CA 1 1 12 6918 1 1 36 CYS CB C -3.726 3.309 1.955 1.00 . A A . 36 CYS CB 1 1 12 6919 1 1 36 CYS H H -5.458 2.708 3.822 1.00 . A A . 36 CYS H 1 1 12 6920 1 1 36 CYS HA H -5.328 2.362 0.911 1.00 . A A . 36 CYS HA 1 1 12 6921 1 1 36 CYS HB2 H -3.166 3.153 2.870 1.00 . A A . 36 CYS HB2 1 1 12 6922 1 1 36 CYS HB3 H -3.071 3.189 1.126 1.00 . A A . 36 CYS HB3 1 1 12 6923 1 1 36 CYS N N -5.785 2.427 2.934 1.00 . A A . 36 CYS N 1 1 12 6924 1 1 36 CYS O O -3.582 0.510 2.951 1.00 . A A . 36 CYS O 1 1 12 6925 1 1 36 CYS SG S -4.350 5.021 1.996 1.00 . A A . 36 CYS SG 1 1 12 6926 1 1 37 LYS C C -2.677 -1.425 -0.016 1.00 . A A . 37 LYS C 1 1 12 6927 1 1 37 LYS CA C -3.888 -1.317 0.907 1.00 . A A . 37 LYS CA 1 1 12 6928 1 1 37 LYS CB C -4.973 -2.304 0.461 1.00 . A A . 37 LYS CB 1 1 12 6929 1 1 37 LYS CD C -6.318 -3.250 -1.450 1.00 . A A . 37 LYS CD 1 1 12 6930 1 1 37 LYS CE C -5.614 -4.595 -1.369 1.00 . A A . 37 LYS CE 1 1 12 6931 1 1 37 LYS CG C -5.411 -2.122 -0.986 1.00 . A A . 37 LYS CG 1 1 12 6932 1 1 37 LYS H H -4.915 0.364 0.134 1.00 . A A . 37 LYS H 1 1 12 6933 1 1 37 LYS HA H -3.576 -1.587 1.910 1.00 . A A . 37 LYS HA 1 1 12 6934 1 1 37 LYS HB2 H -4.584 -3.296 0.602 1.00 . A A . 37 LYS HB2 1 1 12 6935 1 1 37 LYS HB3 H -5.838 -2.176 1.096 1.00 . A A . 37 LYS HB3 1 1 12 6936 1 1 37 LYS HD2 H -7.198 -3.277 -0.826 1.00 . A A . 37 LYS HD2 1 1 12 6937 1 1 37 LYS HD3 H -6.607 -3.067 -2.475 1.00 . A A . 37 LYS HD3 1 1 12 6938 1 1 37 LYS HE2 H -4.691 -4.549 -1.929 1.00 . A A . 37 LYS HE2 1 1 12 6939 1 1 37 LYS HE3 H -5.397 -4.824 -0.339 1.00 . A A . 37 LYS HE3 1 1 12 6940 1 1 37 LYS HG2 H -5.956 -1.196 -1.066 1.00 . A A . 37 LYS HG2 1 1 12 6941 1 1 37 LYS HG3 H -4.548 -2.087 -1.634 1.00 . A A . 37 LYS HG3 1 1 12 6942 1 1 37 LYS HZ1 H -6.668 -5.514 -2.920 1.00 . A A . 37 LYS HZ1 1 1 12 6943 1 1 37 LYS HZ2 H -7.339 -5.773 -1.386 1.00 . A A . 37 LYS HZ2 1 1 12 6944 1 1 37 LYS HZ3 H -5.935 -6.596 -1.846 1.00 . A A . 37 LYS HZ3 1 1 12 6945 1 1 37 LYS N N -4.399 0.047 0.912 1.00 . A A . 37 LYS N 1 1 12 6946 1 1 37 LYS NZ N -6.447 -5.693 -1.918 1.00 . A A . 37 LYS NZ 1 1 12 6947 1 1 37 LYS O O -2.461 -0.569 -0.874 1.00 . A A . 37 LYS O 1 1 12 6948 1 1 38 CYS C C -0.746 -4.120 -1.205 1.00 . A A . 38 CYS C 1 1 12 6949 1 1 38 CYS CA C -0.721 -2.701 -0.660 1.00 . A A . 38 CYS CA 1 1 12 6950 1 1 38 CYS CB C 0.552 -2.475 0.168 1.00 . A A . 38 CYS CB 1 1 12 6951 1 1 38 CYS H H -2.122 -3.133 0.864 1.00 . A A . 38 CYS H 1 1 12 6952 1 1 38 CYS HA H -0.722 -2.015 -1.495 1.00 . A A . 38 CYS HA 1 1 12 6953 1 1 38 CYS HB2 H 0.648 -3.269 0.899 1.00 . A A . 38 CYS HB2 1 1 12 6954 1 1 38 CYS HB3 H 1.406 -2.499 -0.492 1.00 . A A . 38 CYS HB3 1 1 12 6955 1 1 38 CYS N N -1.901 -2.477 0.161 1.00 . A A . 38 CYS N 1 1 12 6956 1 1 38 CYS O O -1.347 -5.009 -0.600 1.00 . A A . 38 CYS O 1 1 12 6957 1 1 38 CYS SG S 0.570 -0.897 1.083 1.00 . A A . 38 CYS SG 1 1 12 6958 1 1 39 TYR C C 1.138 -6.431 -2.396 1.00 . A A . 39 TYR C 1 1 12 6959 1 1 39 TYR CA C -0.051 -5.663 -2.957 1.00 . A A . 39 TYR CA 1 1 12 6960 1 1 39 TYR CB C 0.103 -5.558 -4.480 1.00 . A A . 39 TYR CB 1 1 12 6961 1 1 39 TYR CD1 C -2.131 -4.950 -5.487 1.00 . A A . 39 TYR CD1 1 1 12 6962 1 1 39 TYR CD2 C -0.418 -3.295 -5.460 1.00 . A A . 39 TYR CD2 1 1 12 6963 1 1 39 TYR CE1 C -2.985 -4.062 -6.112 1.00 . A A . 39 TYR CE1 1 1 12 6964 1 1 39 TYR CE2 C -1.263 -2.402 -6.086 1.00 . A A . 39 TYR CE2 1 1 12 6965 1 1 39 TYR CG C -0.837 -4.582 -5.150 1.00 . A A . 39 TYR CG 1 1 12 6966 1 1 39 TYR CZ C -2.545 -2.789 -6.411 1.00 . A A . 39 TYR CZ 1 1 12 6967 1 1 39 TYR H H 0.357 -3.587 -2.793 1.00 . A A . 39 TYR H 1 1 12 6968 1 1 39 TYR HA H -0.963 -6.202 -2.730 1.00 . A A . 39 TYR HA 1 1 12 6969 1 1 39 TYR HB2 H 1.117 -5.255 -4.717 1.00 . A A . 39 TYR HB2 1 1 12 6970 1 1 39 TYR HB3 H -0.069 -6.537 -4.910 1.00 . A A . 39 TYR HB3 1 1 12 6971 1 1 39 TYR HD1 H -2.476 -5.948 -5.252 1.00 . A A . 39 TYR HD1 1 1 12 6972 1 1 39 TYR HD2 H 0.588 -2.990 -5.205 1.00 . A A . 39 TYR HD2 1 1 12 6973 1 1 39 TYR HE1 H -3.990 -4.367 -6.366 1.00 . A A . 39 TYR HE1 1 1 12 6974 1 1 39 TYR HE2 H -0.918 -1.405 -6.319 1.00 . A A . 39 TYR HE2 1 1 12 6975 1 1 39 TYR HH H -3.293 -1.988 -7.990 1.00 . A A . 39 TYR HH 1 1 12 6976 1 1 39 TYR N N -0.106 -4.337 -2.348 1.00 . A A . 39 TYR N 1 1 12 6977 1 1 39 TYR O O 1.703 -7.302 -3.061 1.00 . A A . 39 TYR O 1 1 12 6978 1 1 39 TYR OH O -3.389 -1.902 -7.039 1.00 . A A . 39 TYR OH 1 1 12 6979 1 1 40 GLY C C 3.876 -5.611 -1.161 1.00 . A A . 40 GLY C 1 1 12 6980 1 1 40 GLY CA C 2.794 -6.535 -0.654 1.00 . A A . 40 GLY CA 1 1 12 6981 1 1 40 GLY H H 1.040 -5.436 -0.661 1.00 . A A . 40 GLY H 1 1 12 6982 1 1 40 GLY HA2 H 2.771 -6.496 0.426 1.00 . A A . 40 GLY HA2 1 1 12 6983 1 1 40 GLY HA3 H 3.012 -7.548 -0.969 1.00 . A A . 40 GLY HA3 1 1 12 6984 1 1 40 GLY N N 1.512 -6.110 -1.167 1.00 . A A . 40 GLY N 1 1 12 6985 1 1 40 GLY O O 4.524 -4.905 -0.387 1.00 . A A . 40 GLY O 1 1 12 6986 1 1 41 CYS C C 4.294 -4.422 -4.565 1.00 . A A . 41 CYS C 1 1 12 6987 1 1 41 CYS CA C 4.876 -4.654 -3.173 1.00 . A A . 41 CYS CA 1 1 12 6988 1 1 41 CYS CB C 6.332 -5.125 -3.276 1.00 . A A . 41 CYS CB 1 1 12 6989 1 1 41 CYS H H 3.501 -6.227 -3.018 1.00 . A A . 41 CYS H 1 1 12 6990 1 1 41 CYS HA H 4.844 -3.714 -2.633 1.00 . A A . 41 CYS HA 1 1 12 6991 1 1 41 CYS HB2 H 6.345 -6.120 -3.697 1.00 . A A . 41 CYS HB2 1 1 12 6992 1 1 41 CYS HB3 H 6.879 -4.461 -3.933 1.00 . A A . 41 CYS HB3 1 1 12 6993 1 1 41 CYS N N 4.048 -5.622 -2.473 1.00 . A A . 41 CYS N 1 1 12 6994 1 1 41 CYS O O 4.921 -4.840 -5.560 1.00 . A A . 41 CYS O 1 1 12 6995 1 1 41 CYS OXT O 3.179 -3.870 -4.654 1.00 . A A . 41 CYS OXT 1 1 12 6996 1 1 41 CYS SG S 7.220 -5.198 -1.684 1.00 . A A . 41 CYS SG 1 1 13 6997 1 1 1 TRP C C 4.042 3.501 10.989 1.00 . A A . 1 TRP C 1 1 13 6998 1 1 1 TRP CA C 3.764 2.378 11.990 1.00 . A A . 1 TRP CA 1 1 13 6999 1 1 1 TRP CB C 5.070 1.704 12.464 1.00 . A A . 1 TRP CB 1 1 13 7000 1 1 1 TRP CD1 C 5.285 -0.374 10.974 1.00 . A A . 1 TRP CD1 1 1 13 7001 1 1 1 TRP CD2 C 6.989 1.063 10.787 1.00 . A A . 1 TRP CD2 1 1 13 7002 1 1 1 TRP CE2 C 7.219 -0.024 9.921 1.00 . A A . 1 TRP CE2 1 1 13 7003 1 1 1 TRP CE3 C 7.934 2.091 10.843 1.00 . A A . 1 TRP CE3 1 1 13 7004 1 1 1 TRP CG C 5.736 0.826 11.441 1.00 . A A . 1 TRP CG 1 1 13 7005 1 1 1 TRP CH2 C 9.261 0.910 9.199 1.00 . A A . 1 TRP CH2 1 1 13 7006 1 1 1 TRP CZ2 C 8.354 -0.110 9.124 1.00 . A A . 1 TRP CZ2 1 1 13 7007 1 1 1 TRP CZ3 C 9.060 2.004 10.048 1.00 . A A . 1 TRP CZ3 1 1 13 7008 1 1 1 TRP H1 H 1.896 1.806 11.376 1.00 . A A . 1 TRP H1 1 1 13 7009 1 1 1 TRP H2 H 2.832 0.538 12.033 1.00 . A A . 1 TRP H2 1 1 13 7010 1 1 1 TRP H3 H 3.169 1.139 10.471 1.00 . A A . 1 TRP H3 1 1 13 7011 1 1 1 TRP HA H 3.273 2.814 12.849 1.00 . A A . 1 TRP HA 1 1 13 7012 1 1 1 TRP HB2 H 5.777 2.466 12.763 1.00 . A A . 1 TRP HB2 1 1 13 7013 1 1 1 TRP HB3 H 4.844 1.089 13.324 1.00 . A A . 1 TRP HB3 1 1 13 7014 1 1 1 TRP HD1 H 4.365 -0.836 11.289 1.00 . A A . 1 TRP HD1 1 1 13 7015 1 1 1 TRP HE1 H 6.050 -1.728 9.565 1.00 . A A . 1 TRP HE1 1 1 13 7016 1 1 1 TRP HE3 H 7.795 2.943 11.492 1.00 . A A . 1 TRP HE3 1 1 13 7017 1 1 1 TRP HH2 H 10.156 0.883 8.596 1.00 . A A . 1 TRP HH2 1 1 13 7018 1 1 1 TRP HZ2 H 8.525 -0.946 8.463 1.00 . A A . 1 TRP HZ2 1 1 13 7019 1 1 1 TRP HZ3 H 9.802 2.788 10.079 1.00 . A A . 1 TRP HZ3 1 1 13 7020 1 1 1 TRP N N 2.841 1.378 11.414 1.00 . A A . 1 TRP N 1 1 13 7021 1 1 1 TRP NE1 N 6.161 -0.883 10.049 1.00 . A A . 1 TRP NE1 1 1 13 7022 1 1 1 TRP O O 5.190 3.825 10.690 1.00 . A A . 1 TRP O 1 1 13 7023 1 1 2 CYS C C 3.196 6.518 10.428 1.00 . A A . 2 CYS C 1 1 13 7024 1 1 2 CYS CA C 3.095 5.247 9.591 1.00 . A A . 2 CYS CA 1 1 13 7025 1 1 2 CYS CB C 1.891 5.327 8.647 1.00 . A A . 2 CYS CB 1 1 13 7026 1 1 2 CYS H H 2.086 3.789 10.747 1.00 . A A . 2 CYS H 1 1 13 7027 1 1 2 CYS HA H 3.996 5.142 8.995 1.00 . A A . 2 CYS HA 1 1 13 7028 1 1 2 CYS HB2 H 1.978 6.212 8.031 1.00 . A A . 2 CYS HB2 1 1 13 7029 1 1 2 CYS HB3 H 1.889 4.455 8.010 1.00 . A A . 2 CYS HB3 1 1 13 7030 1 1 2 CYS N N 2.975 4.092 10.467 1.00 . A A . 2 CYS N 1 1 13 7031 1 1 2 CYS O O 2.602 6.611 11.502 1.00 . A A . 2 CYS O 1 1 13 7032 1 1 2 CYS SG S 0.279 5.391 9.498 1.00 . A A . 2 CYS SG 1 1 13 7033 1 1 3 SER C C 3.087 9.767 10.280 1.00 . A A . 3 SER C 1 1 13 7034 1 1 3 SER CA C 4.147 8.739 10.672 1.00 . A A . 3 SER CA 1 1 13 7035 1 1 3 SER CB C 5.549 9.267 10.383 1.00 . A A . 3 SER CB 1 1 13 7036 1 1 3 SER H H 4.398 7.369 9.074 1.00 . A A . 3 SER H 1 1 13 7037 1 1 3 SER HA H 4.065 8.545 11.735 1.00 . A A . 3 SER HA 1 1 13 7038 1 1 3 SER HB2 H 5.611 9.599 9.355 1.00 . A A . 3 SER HB2 1 1 13 7039 1 1 3 SER HB3 H 5.768 10.093 11.044 1.00 . A A . 3 SER HB3 1 1 13 7040 1 1 3 SER HG H 6.722 8.182 11.523 1.00 . A A . 3 SER HG 1 1 13 7041 1 1 3 SER N N 3.946 7.494 9.943 1.00 . A A . 3 SER N 1 1 13 7042 1 1 3 SER O O 3.352 10.967 10.212 1.00 . A A . 3 SER O 1 1 13 7043 1 1 3 SER OG O 6.511 8.245 10.588 1.00 . A A . 3 SER OG 1 1 13 7044 1 1 4 THR C C -0.526 9.331 9.802 1.00 . A A . 4 THR C 1 1 13 7045 1 1 4 THR CA C 0.787 10.092 9.562 1.00 . A A . 4 THR CA 1 1 13 7046 1 1 4 THR CB C 0.986 10.462 8.062 1.00 . A A . 4 THR CB 1 1 13 7047 1 1 4 THR CG2 C 1.146 9.216 7.196 1.00 . A A . 4 THR CG2 1 1 13 7048 1 1 4 THR H H 1.732 8.315 10.090 1.00 . A A . 4 THR H 1 1 13 7049 1 1 4 THR HA H 0.767 11.001 10.152 1.00 . A A . 4 THR HA 1 1 13 7050 1 1 4 THR HB H 1.893 11.044 7.969 1.00 . A A . 4 THR HB 1 1 13 7051 1 1 4 THR HG1 H -0.014 12.160 7.893 1.00 . A A . 4 THR HG1 1 1 13 7052 1 1 4 THR HG21 H 1.564 9.506 6.243 1.00 . A A . 4 THR HG21 1 1 13 7053 1 1 4 THR HG22 H 0.193 8.750 7.028 1.00 . A A . 4 THR HG22 1 1 13 7054 1 1 4 THR HG23 H 1.813 8.509 7.667 1.00 . A A . 4 THR HG23 1 1 13 7055 1 1 4 THR N N 1.889 9.272 10.019 1.00 . A A . 4 THR N 1 1 13 7056 1 1 4 THR O O -0.722 8.775 10.886 1.00 . A A . 4 THR O 1 1 13 7057 1 1 4 THR OG1 O -0.104 11.259 7.572 1.00 . A A . 4 THR OG1 1 1 13 7058 1 1 5 CYS C C -3.704 9.025 9.712 1.00 . A A . 5 CYS C 1 1 13 7059 1 1 5 CYS CA C -2.606 8.482 8.808 1.00 . A A . 5 CYS CA 1 1 13 7060 1 1 5 CYS CB C -2.257 7.038 9.195 1.00 . A A . 5 CYS CB 1 1 13 7061 1 1 5 CYS H H -1.243 9.827 7.994 1.00 . A A . 5 CYS H 1 1 13 7062 1 1 5 CYS HA H -2.970 8.481 7.823 1.00 . A A . 5 CYS HA 1 1 13 7063 1 1 5 CYS HB2 H -1.943 6.999 10.223 1.00 . A A . 5 CYS HB2 1 1 13 7064 1 1 5 CYS HB3 H -3.145 6.429 9.085 1.00 . A A . 5 CYS HB3 1 1 13 7065 1 1 5 CYS N N -1.418 9.333 8.814 1.00 . A A . 5 CYS N 1 1 13 7066 1 1 5 CYS O O -3.849 8.611 10.863 1.00 . A A . 5 CYS O 1 1 13 7067 1 1 5 CYS SG S -0.959 6.281 8.158 1.00 . A A . 5 CYS SG 1 1 13 7068 1 1 6 LEU C C -6.846 9.593 9.307 1.00 . A A . 6 LEU C 1 1 13 7069 1 1 6 LEU CA C -5.681 10.436 9.819 1.00 . A A . 6 LEU CA 1 1 13 7070 1 1 6 LEU CB C -5.943 11.925 9.532 1.00 . A A . 6 LEU CB 1 1 13 7071 1 1 6 LEU CD1 C -5.280 12.758 11.812 1.00 . A A . 6 LEU CD1 1 1 13 7072 1 1 6 LEU CD2 C -3.613 12.814 9.953 1.00 . A A . 6 LEU CD2 1 1 13 7073 1 1 6 LEU CG C -5.086 12.935 10.315 1.00 . A A . 6 LEU CG 1 1 13 7074 1 1 6 LEU H H -4.273 10.275 8.260 1.00 . A A . 6 LEU H 1 1 13 7075 1 1 6 LEU HA H -5.603 10.284 10.886 1.00 . A A . 6 LEU HA 1 1 13 7076 1 1 6 LEU HB2 H -5.784 12.095 8.477 1.00 . A A . 6 LEU HB2 1 1 13 7077 1 1 6 LEU HB3 H -6.983 12.141 9.751 1.00 . A A . 6 LEU HB3 1 1 13 7078 1 1 6 LEU HD11 H -4.772 13.556 12.335 1.00 . A A . 6 LEU HD11 1 1 13 7079 1 1 6 LEU HD12 H -4.872 11.809 12.129 1.00 . A A . 6 LEU HD12 1 1 13 7080 1 1 6 LEU HD13 H -6.334 12.794 12.051 1.00 . A A . 6 LEU HD13 1 1 13 7081 1 1 6 LEU HD21 H -3.219 11.875 10.313 1.00 . A A . 6 LEU HD21 1 1 13 7082 1 1 6 LEU HD22 H -3.066 13.627 10.408 1.00 . A A . 6 LEU HD22 1 1 13 7083 1 1 6 LEU HD23 H -3.495 12.865 8.879 1.00 . A A . 6 LEU HD23 1 1 13 7084 1 1 6 LEU HG H -5.409 13.935 10.060 1.00 . A A . 6 LEU HG 1 1 13 7085 1 1 6 LEU N N -4.457 9.977 9.182 1.00 . A A . 6 LEU N 1 1 13 7086 1 1 6 LEU O O -7.511 8.893 10.073 1.00 . A A . 6 LEU O 1 1 13 7087 1 1 7 ASP C C -7.755 8.797 5.838 1.00 . A A . 7 ASP C 1 1 13 7088 1 1 7 ASP CA C -8.073 8.841 7.327 1.00 . A A . 7 ASP CA 1 1 13 7089 1 1 7 ASP CB C -9.491 9.388 7.554 1.00 . A A . 7 ASP CB 1 1 13 7090 1 1 7 ASP CG C -10.565 8.488 6.968 1.00 . A A . 7 ASP CG 1 1 13 7091 1 1 7 ASP H H -6.490 10.241 7.449 1.00 . A A . 7 ASP H 1 1 13 7092 1 1 7 ASP HA H -8.013 7.833 7.727 1.00 . A A . 7 ASP HA 1 1 13 7093 1 1 7 ASP HB2 H -9.666 9.475 8.616 1.00 . A A . 7 ASP HB2 1 1 13 7094 1 1 7 ASP HB3 H -9.576 10.367 7.101 1.00 . A A . 7 ASP HB3 1 1 13 7095 1 1 7 ASP N N -7.070 9.662 8.000 1.00 . A A . 7 ASP N 1 1 13 7096 1 1 7 ASP O O -8.207 9.650 5.076 1.00 . A A . 7 ASP O 1 1 13 7097 1 1 7 ASP OD1 O -10.698 7.334 7.430 1.00 . A A . 7 ASP OD1 1 1 13 7098 1 1 7 ASP OD2 O -11.299 8.929 6.058 1.00 . A A . 7 ASP OD2 1 1 13 7099 1 1 8 LEU C C -7.426 7.213 3.060 1.00 . A A . 8 LEU C 1 1 13 7100 1 1 8 LEU CA C -6.427 7.761 4.065 1.00 . A A . 8 LEU CA 1 1 13 7101 1 1 8 LEU CB C -5.137 6.923 4.013 1.00 . A A . 8 LEU CB 1 1 13 7102 1 1 8 LEU CD1 C -3.643 8.764 3.195 1.00 . A A . 8 LEU CD1 1 1 13 7103 1 1 8 LEU CD2 C -3.792 8.282 5.644 1.00 . A A . 8 LEU CD2 1 1 13 7104 1 1 8 LEU CG C -3.828 7.685 4.249 1.00 . A A . 8 LEU CG 1 1 13 7105 1 1 8 LEU H H -6.628 7.160 6.096 1.00 . A A . 8 LEU H 1 1 13 7106 1 1 8 LEU HA H -6.198 8.766 3.782 1.00 . A A . 8 LEU HA 1 1 13 7107 1 1 8 LEU HB2 H -5.208 6.144 4.760 1.00 . A A . 8 LEU HB2 1 1 13 7108 1 1 8 LEU HB3 H -5.053 6.440 3.048 1.00 . A A . 8 LEU HB3 1 1 13 7109 1 1 8 LEU HD11 H -2.654 9.188 3.291 1.00 . A A . 8 LEU HD11 1 1 13 7110 1 1 8 LEU HD12 H -4.376 9.545 3.326 1.00 . A A . 8 LEU HD12 1 1 13 7111 1 1 8 LEU HD13 H -3.748 8.335 2.207 1.00 . A A . 8 LEU HD13 1 1 13 7112 1 1 8 LEU HD21 H -3.908 7.491 6.370 1.00 . A A . 8 LEU HD21 1 1 13 7113 1 1 8 LEU HD22 H -4.596 8.997 5.757 1.00 . A A . 8 LEU HD22 1 1 13 7114 1 1 8 LEU HD23 H -2.843 8.777 5.796 1.00 . A A . 8 LEU HD23 1 1 13 7115 1 1 8 LEU HG H -3.001 6.994 4.161 1.00 . A A . 8 LEU HG 1 1 13 7116 1 1 8 LEU N N -6.962 7.809 5.431 1.00 . A A . 8 LEU N 1 1 13 7117 1 1 8 LEU O O -7.025 6.763 1.983 1.00 . A A . 8 LEU O 1 1 13 7118 1 1 9 ALA C C -9.774 7.247 1.159 1.00 . A A . 9 ALA C 1 1 13 7119 1 1 9 ALA CA C -9.805 6.753 2.600 1.00 . A A . 9 ALA CA 1 1 13 7120 1 1 9 ALA CB C -11.134 7.095 3.243 1.00 . A A . 9 ALA CB 1 1 13 7121 1 1 9 ALA H H -8.955 7.735 4.237 1.00 . A A . 9 ALA H 1 1 13 7122 1 1 9 ALA HA H -9.698 5.677 2.608 1.00 . A A . 9 ALA HA 1 1 13 7123 1 1 9 ALA HB1 H -11.405 8.121 3.030 1.00 . A A . 9 ALA HB1 1 1 13 7124 1 1 9 ALA HB2 H -11.040 6.976 4.307 1.00 . A A . 9 ALA HB2 1 1 13 7125 1 1 9 ALA HB3 H -11.899 6.434 2.870 1.00 . A A . 9 ALA HB3 1 1 13 7126 1 1 9 ALA N N -8.712 7.321 3.396 1.00 . A A . 9 ALA N 1 1 13 7127 1 1 9 ALA O O -10.531 8.135 0.772 1.00 . A A . 9 ALA O 1 1 13 7128 1 1 10 CYS C C -8.319 8.561 -0.991 1.00 . A A . 10 CYS C 1 1 13 7129 1 1 10 CYS CA C -8.612 7.066 -0.972 1.00 . A A . 10 CYS CA 1 1 13 7130 1 1 10 CYS CB C -9.748 6.708 -1.933 1.00 . A A . 10 CYS CB 1 1 13 7131 1 1 10 CYS H H -8.340 5.920 0.754 1.00 . A A . 10 CYS H 1 1 13 7132 1 1 10 CYS HA H -7.710 6.564 -1.271 1.00 . A A . 10 CYS HA 1 1 13 7133 1 1 10 CYS HB2 H -10.160 5.746 -1.674 1.00 . A A . 10 CYS HB2 1 1 13 7134 1 1 10 CYS HB3 H -10.535 7.448 -1.857 1.00 . A A . 10 CYS HB3 1 1 13 7135 1 1 10 CYS N N -8.900 6.636 0.377 1.00 . A A . 10 CYS N 1 1 13 7136 1 1 10 CYS O O -8.924 9.319 -1.748 1.00 . A A . 10 CYS O 1 1 13 7137 1 1 10 CYS SG S -9.219 6.650 -3.680 1.00 . A A . 10 CYS SG 1 1 13 7138 1 1 11 THR C C -6.022 10.658 -1.278 1.00 . A A . 11 THR C 1 1 13 7139 1 1 11 THR CA C -6.966 10.384 -0.112 1.00 . A A . 11 THR CA 1 1 13 7140 1 1 11 THR CB C -6.260 10.723 1.218 1.00 . A A . 11 THR CB 1 1 13 7141 1 1 11 THR CG2 C -6.147 12.226 1.418 1.00 . A A . 11 THR CG2 1 1 13 7142 1 1 11 THR H H -6.924 8.334 0.444 1.00 . A A . 11 THR H 1 1 13 7143 1 1 11 THR HA H -7.849 11.007 -0.219 1.00 . A A . 11 THR HA 1 1 13 7144 1 1 11 THR HB H -5.262 10.300 1.227 1.00 . A A . 11 THR HB 1 1 13 7145 1 1 11 THR HG1 H -7.901 10.505 2.331 1.00 . A A . 11 THR HG1 1 1 13 7146 1 1 11 THR HG21 H -5.429 12.632 0.722 1.00 . A A . 11 THR HG21 1 1 13 7147 1 1 11 THR HG22 H -5.817 12.427 2.427 1.00 . A A . 11 THR HG22 1 1 13 7148 1 1 11 THR HG23 H -7.110 12.693 1.259 1.00 . A A . 11 THR HG23 1 1 13 7149 1 1 11 THR N N -7.380 8.984 -0.142 1.00 . A A . 11 THR N 1 1 13 7150 1 1 11 THR O O -5.635 11.797 -1.546 1.00 . A A . 11 THR O 1 1 13 7151 1 1 11 THR OG1 O -6.998 10.159 2.306 1.00 . A A . 11 THR OG1 1 1 13 7152 1 1 12 GLY C C -3.881 8.494 -3.186 1.00 . A A . 12 GLY C 1 1 13 7153 1 1 12 GLY CA C -4.799 9.687 -3.111 1.00 . A A . 12 GLY CA 1 1 13 7154 1 1 12 GLY H H -5.999 8.706 -1.729 1.00 . A A . 12 GLY H 1 1 13 7155 1 1 12 GLY HA2 H -5.402 9.740 -4.007 1.00 . A A . 12 GLY HA2 1 1 13 7156 1 1 12 GLY HA3 H -4.191 10.582 -3.047 1.00 . A A . 12 GLY HA3 1 1 13 7157 1 1 12 GLY N N -5.672 9.591 -1.973 1.00 . A A . 12 GLY N 1 1 13 7158 1 1 12 GLY O O -3.258 8.129 -2.186 1.00 . A A . 12 GLY O 1 1 13 7159 1 1 13 SER C C -1.489 7.179 -4.336 1.00 . A A . 13 SER C 1 1 13 7160 1 1 13 SER CA C -2.931 6.729 -4.523 1.00 . A A . 13 SER CA 1 1 13 7161 1 1 13 SER CB C -3.140 6.096 -5.900 1.00 . A A . 13 SER CB 1 1 13 7162 1 1 13 SER H H -4.341 8.194 -5.113 1.00 . A A . 13 SER H 1 1 13 7163 1 1 13 SER HA H -3.168 5.996 -3.761 1.00 . A A . 13 SER HA 1 1 13 7164 1 1 13 SER HB2 H -2.358 5.379 -6.101 1.00 . A A . 13 SER HB2 1 1 13 7165 1 1 13 SER HB3 H -4.095 5.590 -5.913 1.00 . A A . 13 SER HB3 1 1 13 7166 1 1 13 SER HG H -2.243 7.222 -7.234 1.00 . A A . 13 SER HG 1 1 13 7167 1 1 13 SER N N -3.808 7.869 -4.348 1.00 . A A . 13 SER N 1 1 13 7168 1 1 13 SER O O -0.751 6.611 -3.530 1.00 . A A . 13 SER O 1 1 13 7169 1 1 13 SER OG O -3.140 7.080 -6.921 1.00 . A A . 13 SER OG 1 1 13 7170 1 1 14 LYS C C 0.481 9.271 -3.485 1.00 . A A . 14 LYS C 1 1 13 7171 1 1 14 LYS CA C 0.219 8.824 -4.920 1.00 . A A . 14 LYS CA 1 1 13 7172 1 1 14 LYS CB C 0.397 10.014 -5.872 1.00 . A A . 14 LYS CB 1 1 13 7173 1 1 14 LYS CD C -0.175 12.417 -6.348 1.00 . A A . 14 LYS CD 1 1 13 7174 1 1 14 LYS CE C -1.212 13.516 -6.191 1.00 . A A . 14 LYS CE 1 1 13 7175 1 1 14 LYS CG C -0.614 11.133 -5.663 1.00 . A A . 14 LYS CG 1 1 13 7176 1 1 14 LYS H H -1.771 8.679 -5.640 1.00 . A A . 14 LYS H 1 1 13 7177 1 1 14 LYS HA H 0.937 8.069 -5.178 1.00 . A A . 14 LYS HA 1 1 13 7178 1 1 14 LYS HB2 H 1.396 10.415 -5.744 1.00 . A A . 14 LYS HB2 1 1 13 7179 1 1 14 LYS HB3 H 0.297 9.657 -6.887 1.00 . A A . 14 LYS HB3 1 1 13 7180 1 1 14 LYS HD2 H 0.754 12.750 -5.909 1.00 . A A . 14 LYS HD2 1 1 13 7181 1 1 14 LYS HD3 H -0.029 12.224 -7.402 1.00 . A A . 14 LYS HD3 1 1 13 7182 1 1 14 LYS HE2 H -2.072 13.270 -6.795 1.00 . A A . 14 LYS HE2 1 1 13 7183 1 1 14 LYS HE3 H -1.511 13.578 -5.152 1.00 . A A . 14 LYS HE3 1 1 13 7184 1 1 14 LYS HG2 H -1.562 10.824 -6.077 1.00 . A A . 14 LYS HG2 1 1 13 7185 1 1 14 LYS HG3 H -0.732 11.334 -4.611 1.00 . A A . 14 LYS HG3 1 1 13 7186 1 1 14 LYS HZ1 H -0.411 14.819 -7.618 1.00 . A A . 14 LYS HZ1 1 1 13 7187 1 1 14 LYS HZ2 H 0.135 15.109 -6.041 1.00 . A A . 14 LYS HZ2 1 1 13 7188 1 1 14 LYS HZ3 H -1.428 15.569 -6.492 1.00 . A A . 14 LYS HZ3 1 1 13 7189 1 1 14 LYS N N -1.116 8.247 -5.043 1.00 . A A . 14 LYS N 1 1 13 7190 1 1 14 LYS NZ N -0.692 14.844 -6.615 1.00 . A A . 14 LYS NZ 1 1 13 7191 1 1 14 LYS O O 1.616 9.241 -3.014 1.00 . A A . 14 LYS O 1 1 13 7192 1 1 15 ASP C C -0.068 9.013 -0.494 1.00 . A A . 15 ASP C 1 1 13 7193 1 1 15 ASP CA C -0.453 10.153 -1.422 1.00 . A A . 15 ASP CA 1 1 13 7194 1 1 15 ASP CB C -1.760 10.783 -0.926 1.00 . A A . 15 ASP CB 1 1 13 7195 1 1 15 ASP CG C -1.545 11.648 0.304 1.00 . A A . 15 ASP CG 1 1 13 7196 1 1 15 ASP H H -1.467 9.673 -3.208 1.00 . A A . 15 ASP H 1 1 13 7197 1 1 15 ASP HA H 0.333 10.901 -1.402 1.00 . A A . 15 ASP HA 1 1 13 7198 1 1 15 ASP HB2 H -2.167 11.407 -1.709 1.00 . A A . 15 ASP HB2 1 1 13 7199 1 1 15 ASP HB3 H -2.478 10.009 -0.683 1.00 . A A . 15 ASP HB3 1 1 13 7200 1 1 15 ASP N N -0.581 9.669 -2.790 1.00 . A A . 15 ASP N 1 1 13 7201 1 1 15 ASP O O 0.842 9.142 0.322 1.00 . A A . 15 ASP O 1 1 13 7202 1 1 15 ASP OD1 O -1.519 11.109 1.430 1.00 . A A . 15 ASP OD1 1 1 13 7203 1 1 15 ASP OD2 O -1.387 12.877 0.145 1.00 . A A . 15 ASP OD2 1 1 13 7204 1 1 16 CYS C C 0.651 5.914 -0.138 1.00 . A A . 16 CYS C 1 1 13 7205 1 1 16 CYS CA C -0.561 6.759 0.250 1.00 . A A . 16 CYS CA 1 1 13 7206 1 1 16 CYS CB C -1.811 5.885 0.272 1.00 . A A . 16 CYS CB 1 1 13 7207 1 1 16 CYS H H -1.454 7.834 -1.336 1.00 . A A . 16 CYS H 1 1 13 7208 1 1 16 CYS HA H -0.399 7.148 1.250 1.00 . A A . 16 CYS HA 1 1 13 7209 1 1 16 CYS HB2 H -2.673 6.514 0.444 1.00 . A A . 16 CYS HB2 1 1 13 7210 1 1 16 CYS HB3 H -1.919 5.392 -0.685 1.00 . A A . 16 CYS HB3 1 1 13 7211 1 1 16 CYS N N -0.749 7.887 -0.647 1.00 . A A . 16 CYS N 1 1 13 7212 1 1 16 CYS O O 1.167 5.159 0.686 1.00 . A A . 16 CYS O 1 1 13 7213 1 1 16 CYS SG S -1.795 4.612 1.572 1.00 . A A . 16 CYS SG 1 1 13 7214 1 1 17 TYR C C 3.473 5.419 -0.937 1.00 . A A . 17 TYR C 1 1 13 7215 1 1 17 TYR CA C 2.259 5.255 -1.853 1.00 . A A . 17 TYR CA 1 1 13 7216 1 1 17 TYR CB C 2.637 5.633 -3.289 1.00 . A A . 17 TYR CB 1 1 13 7217 1 1 17 TYR CD1 C 0.867 3.996 -4.057 1.00 . A A . 17 TYR CD1 1 1 13 7218 1 1 17 TYR CD2 C 1.668 5.603 -5.625 1.00 . A A . 17 TYR CD2 1 1 13 7219 1 1 17 TYR CE1 C 0.023 3.475 -5.016 1.00 . A A . 17 TYR CE1 1 1 13 7220 1 1 17 TYR CE2 C 0.824 5.084 -6.590 1.00 . A A . 17 TYR CE2 1 1 13 7221 1 1 17 TYR CG C 1.708 5.066 -4.345 1.00 . A A . 17 TYR CG 1 1 13 7222 1 1 17 TYR CZ C 0.000 4.024 -6.276 1.00 . A A . 17 TYR CZ 1 1 13 7223 1 1 17 TYR H H 0.664 6.644 -2.016 1.00 . A A . 17 TYR H 1 1 13 7224 1 1 17 TYR HA H 1.990 4.216 -1.809 1.00 . A A . 17 TYR HA 1 1 13 7225 1 1 17 TYR HB2 H 2.627 6.710 -3.379 1.00 . A A . 17 TYR HB2 1 1 13 7226 1 1 17 TYR HB3 H 3.635 5.272 -3.510 1.00 . A A . 17 TYR HB3 1 1 13 7227 1 1 17 TYR HD1 H 0.867 3.546 -3.083 1.00 . A A . 17 TYR HD1 1 1 13 7228 1 1 17 TYR HD2 H 2.313 6.435 -5.870 1.00 . A A . 17 TYR HD2 1 1 13 7229 1 1 17 TYR HE1 H -0.617 2.666 -4.777 1.00 . A A . 17 TYR HE1 1 1 13 7230 1 1 17 TYR HE2 H 0.807 5.515 -7.580 1.00 . A A . 17 TYR HE2 1 1 13 7231 1 1 17 TYR HH H -0.388 2.820 -7.725 1.00 . A A . 17 TYR HH 1 1 13 7232 1 1 17 TYR N N 1.108 6.033 -1.386 1.00 . A A . 17 TYR N 1 1 13 7233 1 1 17 TYR O O 4.162 4.445 -0.632 1.00 . A A . 17 TYR O 1 1 13 7234 1 1 17 TYR OH O -0.846 3.502 -7.229 1.00 . A A . 17 TYR OH 1 1 13 7235 1 1 18 ALA C C 4.723 6.241 1.753 1.00 . A A . 18 ALA C 1 1 13 7236 1 1 18 ALA CA C 4.868 6.915 0.378 1.00 . A A . 18 ALA CA 1 1 13 7237 1 1 18 ALA CB C 5.099 8.418 0.507 1.00 . A A . 18 ALA CB 1 1 13 7238 1 1 18 ALA H H 3.127 7.387 -0.742 1.00 . A A . 18 ALA H 1 1 13 7239 1 1 18 ALA HA H 5.745 6.498 -0.107 1.00 . A A . 18 ALA HA 1 1 13 7240 1 1 18 ALA HB1 H 5.430 8.668 1.507 1.00 . A A . 18 ALA HB1 1 1 13 7241 1 1 18 ALA HB2 H 4.189 8.958 0.289 1.00 . A A . 18 ALA HB2 1 1 13 7242 1 1 18 ALA HB3 H 5.860 8.717 -0.199 1.00 . A A . 18 ALA HB3 1 1 13 7243 1 1 18 ALA N N 3.720 6.643 -0.481 1.00 . A A . 18 ALA N 1 1 13 7244 1 1 18 ALA O O 5.589 5.452 2.138 1.00 . A A . 18 ALA O 1 1 13 7245 1 1 19 PRO C C 3.370 4.339 3.690 1.00 . A A . 19 PRO C 1 1 13 7246 1 1 19 PRO CA C 3.410 5.859 3.812 1.00 . A A . 19 PRO CA 1 1 13 7247 1 1 19 PRO CB C 2.047 6.392 4.266 1.00 . A A . 19 PRO CB 1 1 13 7248 1 1 19 PRO CD C 2.575 7.499 2.222 1.00 . A A . 19 PRO CD 1 1 13 7249 1 1 19 PRO CG C 1.881 7.679 3.542 1.00 . A A . 19 PRO CG 1 1 13 7250 1 1 19 PRO HA H 4.165 6.138 4.533 1.00 . A A . 19 PRO HA 1 1 13 7251 1 1 19 PRO HB2 H 1.257 5.697 4.006 1.00 . A A . 19 PRO HB2 1 1 13 7252 1 1 19 PRO HB3 H 2.058 6.545 5.334 1.00 . A A . 19 PRO HB3 1 1 13 7253 1 1 19 PRO HD2 H 1.899 7.144 1.495 1.00 . A A . 19 PRO HD2 1 1 13 7254 1 1 19 PRO HD3 H 2.988 8.437 1.917 1.00 . A A . 19 PRO HD3 1 1 13 7255 1 1 19 PRO HG2 H 0.831 7.883 3.390 1.00 . A A . 19 PRO HG2 1 1 13 7256 1 1 19 PRO HG3 H 2.343 8.479 4.102 1.00 . A A . 19 PRO HG3 1 1 13 7257 1 1 19 PRO N N 3.637 6.519 2.519 1.00 . A A . 19 PRO N 1 1 13 7258 1 1 19 PRO O O 3.906 3.631 4.537 1.00 . A A . 19 PRO O 1 1 13 7259 1 1 20 CYS C C 4.036 1.802 2.195 1.00 . A A . 20 CYS C 1 1 13 7260 1 1 20 CYS CA C 2.650 2.411 2.385 1.00 . A A . 20 CYS CA 1 1 13 7261 1 1 20 CYS CB C 1.774 2.140 1.158 1.00 . A A . 20 CYS CB 1 1 13 7262 1 1 20 CYS H H 2.333 4.465 1.977 1.00 . A A . 20 CYS H 1 1 13 7263 1 1 20 CYS HA H 2.187 1.953 3.249 1.00 . A A . 20 CYS HA 1 1 13 7264 1 1 20 CYS HB2 H 0.759 2.431 1.380 1.00 . A A . 20 CYS HB2 1 1 13 7265 1 1 20 CYS HB3 H 2.137 2.733 0.331 1.00 . A A . 20 CYS HB3 1 1 13 7266 1 1 20 CYS N N 2.741 3.846 2.628 1.00 . A A . 20 CYS N 1 1 13 7267 1 1 20 CYS O O 4.351 0.752 2.763 1.00 . A A . 20 CYS O 1 1 13 7268 1 1 20 CYS SG S 1.742 0.400 0.619 1.00 . A A . 20 CYS SG 1 1 13 7269 1 1 21 ARG C C 7.056 2.048 2.433 1.00 . A A . 21 ARG C 1 1 13 7270 1 1 21 ARG CA C 6.220 2.007 1.154 1.00 . A A . 21 ARG CA 1 1 13 7271 1 1 21 ARG CB C 6.858 2.846 0.040 1.00 . A A . 21 ARG CB 1 1 13 7272 1 1 21 ARG CD C 9.341 3.177 0.243 1.00 . A A . 21 ARG CD 1 1 13 7273 1 1 21 ARG CG C 8.231 2.365 -0.400 1.00 . A A . 21 ARG CG 1 1 13 7274 1 1 21 ARG CZ C 10.218 5.479 0.112 1.00 . A A . 21 ARG CZ 1 1 13 7275 1 1 21 ARG H H 4.570 3.321 1.000 1.00 . A A . 21 ARG H 1 1 13 7276 1 1 21 ARG HA H 6.159 0.979 0.818 1.00 . A A . 21 ARG HA 1 1 13 7277 1 1 21 ARG HB2 H 6.209 2.824 -0.811 1.00 . A A . 21 ARG HB2 1 1 13 7278 1 1 21 ARG HB3 H 6.922 3.865 0.386 1.00 . A A . 21 ARG HB3 1 1 13 7279 1 1 21 ARG HD2 H 9.285 3.077 1.316 1.00 . A A . 21 ARG HD2 1 1 13 7280 1 1 21 ARG HD3 H 10.285 2.782 -0.105 1.00 . A A . 21 ARG HD3 1 1 13 7281 1 1 21 ARG HE H 8.427 4.915 -0.536 1.00 . A A . 21 ARG HE 1 1 13 7282 1 1 21 ARG HG2 H 8.360 1.336 -0.126 1.00 . A A . 21 ARG HG2 1 1 13 7283 1 1 21 ARG HG3 H 8.310 2.463 -1.471 1.00 . A A . 21 ARG HG3 1 1 13 7284 1 1 21 ARG HH11 H 11.559 4.133 0.844 1.00 . A A . 21 ARG HH11 1 1 13 7285 1 1 21 ARG HH12 H 12.102 5.766 0.783 1.00 . A A . 21 ARG HH12 1 1 13 7286 1 1 21 ARG HH21 H 9.147 7.040 -0.608 1.00 . A A . 21 ARG HH21 1 1 13 7287 1 1 21 ARG HH22 H 10.737 7.429 -0.039 1.00 . A A . 21 ARG HH22 1 1 13 7288 1 1 21 ARG N N 4.870 2.477 1.415 1.00 . A A . 21 ARG N 1 1 13 7289 1 1 21 ARG NE N 9.254 4.592 -0.112 1.00 . A A . 21 ARG NE 1 1 13 7290 1 1 21 ARG NH1 N 11.382 5.088 0.620 1.00 . A A . 21 ARG NH1 1 1 13 7291 1 1 21 ARG NH2 N 10.018 6.751 -0.204 1.00 . A A . 21 ARG NH2 1 1 13 7292 1 1 21 ARG O O 7.831 1.136 2.701 1.00 . A A . 21 ARG O 1 1 13 7293 1 1 22 LYS C C 7.097 2.097 5.457 1.00 . A A . 22 LYS C 1 1 13 7294 1 1 22 LYS CA C 7.572 3.203 4.514 1.00 . A A . 22 LYS CA 1 1 13 7295 1 1 22 LYS CB C 7.308 4.571 5.154 1.00 . A A . 22 LYS CB 1 1 13 7296 1 1 22 LYS CD C 7.658 6.104 7.121 1.00 . A A . 22 LYS CD 1 1 13 7297 1 1 22 LYS CE C 8.571 6.460 8.289 1.00 . A A . 22 LYS CE 1 1 13 7298 1 1 22 LYS CG C 8.093 4.814 6.438 1.00 . A A . 22 LYS CG 1 1 13 7299 1 1 22 LYS H H 6.240 3.803 2.976 1.00 . A A . 22 LYS H 1 1 13 7300 1 1 22 LYS HA H 8.635 3.091 4.344 1.00 . A A . 22 LYS HA 1 1 13 7301 1 1 22 LYS HB2 H 7.580 5.340 4.445 1.00 . A A . 22 LYS HB2 1 1 13 7302 1 1 22 LYS HB3 H 6.250 4.657 5.373 1.00 . A A . 22 LYS HB3 1 1 13 7303 1 1 22 LYS HD2 H 7.685 6.914 6.405 1.00 . A A . 22 LYS HD2 1 1 13 7304 1 1 22 LYS HD3 H 6.650 5.981 7.490 1.00 . A A . 22 LYS HD3 1 1 13 7305 1 1 22 LYS HE2 H 9.573 6.609 7.915 1.00 . A A . 22 LYS HE2 1 1 13 7306 1 1 22 LYS HE3 H 8.217 7.378 8.735 1.00 . A A . 22 LYS HE3 1 1 13 7307 1 1 22 LYS HG2 H 7.932 3.994 7.122 1.00 . A A . 22 LYS HG2 1 1 13 7308 1 1 22 LYS HG3 H 9.144 4.880 6.192 1.00 . A A . 22 LYS HG3 1 1 13 7309 1 1 22 LYS HZ1 H 9.132 5.728 10.160 1.00 . A A . 22 LYS HZ1 1 1 13 7310 1 1 22 LYS HZ2 H 9.061 4.543 8.961 1.00 . A A . 22 LYS HZ2 1 1 13 7311 1 1 22 LYS HZ3 H 7.631 5.153 9.632 1.00 . A A . 22 LYS HZ3 1 1 13 7312 1 1 22 LYS N N 6.883 3.099 3.230 1.00 . A A . 22 LYS N 1 1 13 7313 1 1 22 LYS NZ N 8.599 5.396 9.331 1.00 . A A . 22 LYS NZ 1 1 13 7314 1 1 22 LYS O O 7.862 1.582 6.273 1.00 . A A . 22 LYS O 1 1 13 7315 1 1 23 GLN C C 5.652 -0.673 5.831 1.00 . A A . 23 GLN C 1 1 13 7316 1 1 23 GLN CA C 5.196 0.747 6.173 1.00 . A A . 23 GLN CA 1 1 13 7317 1 1 23 GLN CB C 3.675 0.867 6.029 1.00 . A A . 23 GLN CB 1 1 13 7318 1 1 23 GLN CD C 3.074 -0.167 8.258 1.00 . A A . 23 GLN CD 1 1 13 7319 1 1 23 GLN CG C 2.882 -0.202 6.760 1.00 . A A . 23 GLN CG 1 1 13 7320 1 1 23 GLN H H 5.273 2.193 4.646 1.00 . A A . 23 GLN H 1 1 13 7321 1 1 23 GLN HA H 5.460 0.958 7.201 1.00 . A A . 23 GLN HA 1 1 13 7322 1 1 23 GLN HB2 H 3.369 1.830 6.410 1.00 . A A . 23 GLN HB2 1 1 13 7323 1 1 23 GLN HB3 H 3.419 0.816 4.984 1.00 . A A . 23 GLN HB3 1 1 13 7324 1 1 23 GLN HE21 H 2.715 -2.125 8.374 1.00 . A A . 23 GLN HE21 1 1 13 7325 1 1 23 GLN HE22 H 3.003 -1.315 9.863 1.00 . A A . 23 GLN HE22 1 1 13 7326 1 1 23 GLN HG2 H 1.834 -0.041 6.554 1.00 . A A . 23 GLN HG2 1 1 13 7327 1 1 23 GLN HG3 H 3.165 -1.176 6.389 1.00 . A A . 23 GLN HG3 1 1 13 7328 1 1 23 GLN N N 5.830 1.742 5.322 1.00 . A A . 23 GLN N 1 1 13 7329 1 1 23 GLN NE2 N 2.927 -1.316 8.893 1.00 . A A . 23 GLN NE2 1 1 13 7330 1 1 23 GLN O O 6.308 -1.338 6.637 1.00 . A A . 23 GLN O 1 1 13 7331 1 1 23 GLN OE1 O 3.329 0.885 8.842 1.00 . A A . 23 GLN OE1 1 1 13 7332 1 1 24 THR C C 6.661 -2.685 3.253 1.00 . A A . 24 THR C 1 1 13 7333 1 1 24 THR CA C 5.532 -2.525 4.274 1.00 . A A . 24 THR CA 1 1 13 7334 1 1 24 THR CB C 4.226 -3.158 3.725 1.00 . A A . 24 THR CB 1 1 13 7335 1 1 24 THR CG2 C 3.773 -2.461 2.449 1.00 . A A . 24 THR CG2 1 1 13 7336 1 1 24 THR H H 4.810 -0.556 4.018 1.00 . A A . 24 THR H 1 1 13 7337 1 1 24 THR HA H 5.814 -3.078 5.162 1.00 . A A . 24 THR HA 1 1 13 7338 1 1 24 THR HB H 3.445 -3.042 4.464 1.00 . A A . 24 THR HB 1 1 13 7339 1 1 24 THR HG1 H 3.555 -5.006 3.515 1.00 . A A . 24 THR HG1 1 1 13 7340 1 1 24 THR HG21 H 4.449 -1.663 2.171 1.00 . A A . 24 THR HG21 1 1 13 7341 1 1 24 THR HG22 H 2.789 -2.046 2.606 1.00 . A A . 24 THR HG22 1 1 13 7342 1 1 24 THR HG23 H 3.724 -3.181 1.646 1.00 . A A . 24 THR HG23 1 1 13 7343 1 1 24 THR N N 5.316 -1.132 4.633 1.00 . A A . 24 THR N 1 1 13 7344 1 1 24 THR O O 6.972 -3.800 2.835 1.00 . A A . 24 THR O 1 1 13 7345 1 1 24 THR OG1 O 4.404 -4.558 3.470 1.00 . A A . 24 THR OG1 1 1 13 7346 1 1 25 GLY C C 7.814 -1.498 0.451 1.00 . A A . 25 GLY C 1 1 13 7347 1 1 25 GLY CA C 8.343 -1.642 1.863 1.00 . A A . 25 GLY CA 1 1 13 7348 1 1 25 GLY H H 7.017 -0.702 3.203 1.00 . A A . 25 GLY H 1 1 13 7349 1 1 25 GLY HA2 H 9.042 -0.842 2.053 1.00 . A A . 25 GLY HA2 1 1 13 7350 1 1 25 GLY HA3 H 8.874 -2.583 1.943 1.00 . A A . 25 GLY HA3 1 1 13 7351 1 1 25 GLY N N 7.279 -1.579 2.853 1.00 . A A . 25 GLY N 1 1 13 7352 1 1 25 GLY O O 8.461 -0.906 -0.411 1.00 . A A . 25 GLY O 1 1 13 7353 1 1 26 CYS C C 5.274 -0.666 -1.283 1.00 . A A . 26 CYS C 1 1 13 7354 1 1 26 CYS CA C 5.991 -1.995 -1.079 1.00 . A A . 26 CYS CA 1 1 13 7355 1 1 26 CYS CB C 4.996 -3.155 -1.203 1.00 . A A . 26 CYS CB 1 1 13 7356 1 1 26 CYS H H 6.150 -2.484 0.945 1.00 . A A . 26 CYS H 1 1 13 7357 1 1 26 CYS HA H 6.758 -2.134 -1.824 1.00 . A A . 26 CYS HA 1 1 13 7358 1 1 26 CYS HB2 H 5.518 -4.061 -1.076 1.00 . A A . 26 CYS HB2 1 1 13 7359 1 1 26 CYS HB3 H 4.271 -3.068 -0.408 1.00 . A A . 26 CYS HB3 1 1 13 7360 1 1 26 CYS N N 6.627 -2.032 0.227 1.00 . A A . 26 CYS N 1 1 13 7361 1 1 26 CYS O O 4.441 -0.282 -0.468 1.00 . A A . 26 CYS O 1 1 13 7362 1 1 26 CYS SG S 4.068 -3.188 -2.771 1.00 . A A . 26 CYS SG 1 1 13 7363 1 1 27 PRO C C 3.688 1.129 -3.523 1.00 . A A . 27 PRO C 1 1 13 7364 1 1 27 PRO CA C 4.951 1.328 -2.692 1.00 . A A . 27 PRO CA 1 1 13 7365 1 1 27 PRO CB C 6.021 2.037 -3.515 1.00 . A A . 27 PRO CB 1 1 13 7366 1 1 27 PRO CD C 6.647 -0.283 -3.346 1.00 . A A . 27 PRO CD 1 1 13 7367 1 1 27 PRO CG C 6.721 0.935 -4.237 1.00 . A A . 27 PRO CG 1 1 13 7368 1 1 27 PRO HA H 4.713 1.909 -1.815 1.00 . A A . 27 PRO HA 1 1 13 7369 1 1 27 PRO HB2 H 5.570 2.742 -4.204 1.00 . A A . 27 PRO HB2 1 1 13 7370 1 1 27 PRO HB3 H 6.695 2.560 -2.861 1.00 . A A . 27 PRO HB3 1 1 13 7371 1 1 27 PRO HD2 H 6.365 -1.153 -3.920 1.00 . A A . 27 PRO HD2 1 1 13 7372 1 1 27 PRO HD3 H 7.597 -0.443 -2.857 1.00 . A A . 27 PRO HD3 1 1 13 7373 1 1 27 PRO HG2 H 6.224 0.740 -5.176 1.00 . A A . 27 PRO HG2 1 1 13 7374 1 1 27 PRO HG3 H 7.751 1.209 -4.409 1.00 . A A . 27 PRO HG3 1 1 13 7375 1 1 27 PRO N N 5.600 0.060 -2.362 1.00 . A A . 27 PRO N 1 1 13 7376 1 1 27 PRO O O 3.158 2.070 -4.107 1.00 . A A . 27 PRO O 1 1 13 7377 1 1 28 ASN C C 0.827 -0.602 -3.504 1.00 . A A . 28 ASN C 1 1 13 7378 1 1 28 ASN CA C 2.061 -0.439 -4.385 1.00 . A A . 28 ASN CA 1 1 13 7379 1 1 28 ASN CB C 2.318 -1.719 -5.181 1.00 . A A . 28 ASN CB 1 1 13 7380 1 1 28 ASN CG C 3.549 -1.627 -6.068 1.00 . A A . 28 ASN CG 1 1 13 7381 1 1 28 ASN H H 3.656 -0.804 -3.113 1.00 . A A . 28 ASN H 1 1 13 7382 1 1 28 ASN HA H 1.880 0.362 -5.096 1.00 . A A . 28 ASN HA 1 1 13 7383 1 1 28 ASN HB2 H 2.406 -2.557 -4.533 1.00 . A A . 28 ASN HB2 1 1 13 7384 1 1 28 ASN HB3 H 1.471 -1.877 -5.824 1.00 . A A . 28 ASN HB3 1 1 13 7385 1 1 28 ASN HD21 H 2.457 -0.861 -7.552 1.00 . A A . 28 ASN HD21 1 1 13 7386 1 1 28 ASN HD22 H 4.142 -1.070 -7.870 1.00 . A A . 28 ASN HD22 1 1 13 7387 1 1 28 ASN N N 3.219 -0.105 -3.579 1.00 . A A . 28 ASN N 1 1 13 7388 1 1 28 ASN ND2 N 3.362 -1.138 -7.281 1.00 . A A . 28 ASN ND2 1 1 13 7389 1 1 28 ASN O O 0.667 -1.616 -2.816 1.00 . A A . 28 ASN O 1 1 13 7390 1 1 28 ASN OD1 O 4.657 -1.993 -5.664 1.00 . A A . 28 ASN OD1 1 1 13 7391 1 1 29 ALA C C -2.440 0.868 -3.542 1.00 . A A . 29 ALA C 1 1 13 7392 1 1 29 ALA CA C -1.245 0.406 -2.716 1.00 . A A . 29 ALA CA 1 1 13 7393 1 1 29 ALA CB C -1.075 1.300 -1.495 1.00 . A A . 29 ALA CB 1 1 13 7394 1 1 29 ALA H H 0.166 1.178 -4.064 1.00 . A A . 29 ALA H 1 1 13 7395 1 1 29 ALA HA H -1.444 -0.599 -2.370 1.00 . A A . 29 ALA HA 1 1 13 7396 1 1 29 ALA HB1 H -1.473 0.798 -0.626 1.00 . A A . 29 ALA HB1 1 1 13 7397 1 1 29 ALA HB2 H -1.597 2.238 -1.637 1.00 . A A . 29 ALA HB2 1 1 13 7398 1 1 29 ALA HB3 H -0.030 1.508 -1.338 1.00 . A A . 29 ALA HB3 1 1 13 7399 1 1 29 ALA N N -0.030 0.410 -3.518 1.00 . A A . 29 ALA N 1 1 13 7400 1 1 29 ALA O O -2.275 1.508 -4.585 1.00 . A A . 29 ALA O 1 1 13 7401 1 1 30 LYS C C -5.919 1.325 -2.671 1.00 . A A . 30 LYS C 1 1 13 7402 1 1 30 LYS CA C -4.872 0.978 -3.723 1.00 . A A . 30 LYS CA 1 1 13 7403 1 1 30 LYS CB C -5.419 -0.080 -4.691 1.00 . A A . 30 LYS CB 1 1 13 7404 1 1 30 LYS CD C -4.604 1.028 -6.808 1.00 . A A . 30 LYS CD 1 1 13 7405 1 1 30 LYS CE C -3.603 0.950 -7.952 1.00 . A A . 30 LYS CE 1 1 13 7406 1 1 30 LYS CG C -4.594 -0.238 -5.962 1.00 . A A . 30 LYS CG 1 1 13 7407 1 1 30 LYS H H -3.704 -0.006 -2.255 1.00 . A A . 30 LYS H 1 1 13 7408 1 1 30 LYS HA H -4.658 1.887 -4.266 1.00 . A A . 30 LYS HA 1 1 13 7409 1 1 30 LYS HB2 H -5.437 -1.033 -4.184 1.00 . A A . 30 LYS HB2 1 1 13 7410 1 1 30 LYS HB3 H -6.431 0.182 -4.978 1.00 . A A . 30 LYS HB3 1 1 13 7411 1 1 30 LYS HD2 H -5.590 1.163 -7.222 1.00 . A A . 30 LYS HD2 1 1 13 7412 1 1 30 LYS HD3 H -4.352 1.882 -6.201 1.00 . A A . 30 LYS HD3 1 1 13 7413 1 1 30 LYS HE2 H -3.853 0.108 -8.581 1.00 . A A . 30 LYS HE2 1 1 13 7414 1 1 30 LYS HE3 H -3.668 1.860 -8.530 1.00 . A A . 30 LYS HE3 1 1 13 7415 1 1 30 LYS HG2 H -3.581 -0.473 -5.677 1.00 . A A . 30 LYS HG2 1 1 13 7416 1 1 30 LYS HG3 H -5.002 -1.053 -6.543 1.00 . A A . 30 LYS HG3 1 1 13 7417 1 1 30 LYS HZ1 H -1.538 0.950 -8.239 1.00 . A A . 30 LYS HZ1 1 1 13 7418 1 1 30 LYS HZ2 H -2.061 -0.170 -7.095 1.00 . A A . 30 LYS HZ2 1 1 13 7419 1 1 30 LYS HZ3 H -2.002 1.474 -6.700 1.00 . A A . 30 LYS HZ3 1 1 13 7420 1 1 30 LYS N N -3.639 0.525 -3.085 1.00 . A A . 30 LYS N 1 1 13 7421 1 1 30 LYS NZ N -2.207 0.789 -7.459 1.00 . A A . 30 LYS NZ 1 1 13 7422 1 1 30 LYS O O -5.883 0.817 -1.551 1.00 . A A . 30 LYS O 1 1 13 7423 1 1 31 CYS C C -9.172 2.033 -2.229 1.00 . A A . 31 CYS C 1 1 13 7424 1 1 31 CYS CA C -7.812 2.719 -2.087 1.00 . A A . 31 CYS CA 1 1 13 7425 1 1 31 CYS CB C -7.940 4.236 -2.284 1.00 . A A . 31 CYS CB 1 1 13 7426 1 1 31 CYS H H -6.823 2.552 -3.953 1.00 . A A . 31 CYS H 1 1 13 7427 1 1 31 CYS HA H -7.443 2.549 -1.080 1.00 . A A . 31 CYS HA 1 1 13 7428 1 1 31 CYS HB2 H -8.625 4.583 -1.553 1.00 . A A . 31 CYS HB2 1 1 13 7429 1 1 31 CYS HB3 H -6.976 4.693 -2.113 1.00 . A A . 31 CYS HB3 1 1 13 7430 1 1 31 CYS N N -6.847 2.191 -3.038 1.00 . A A . 31 CYS N 1 1 13 7431 1 1 31 CYS O O -9.955 2.356 -3.120 1.00 . A A . 31 CYS O 1 1 13 7432 1 1 31 CYS SG S -8.522 4.754 -3.938 1.00 . A A . 31 CYS SG 1 1 13 7433 1 1 32 ILE C C -11.323 0.262 0.025 1.00 . A A . 32 ILE C 1 1 13 7434 1 1 32 ILE CA C -10.716 0.363 -1.373 1.00 . A A . 32 ILE CA 1 1 13 7435 1 1 32 ILE CB C -10.560 -1.051 -1.996 1.00 . A A . 32 ILE CB 1 1 13 7436 1 1 32 ILE CD1 C -9.373 -2.402 -0.166 1.00 . A A . 32 ILE CD1 1 1 13 7437 1 1 32 ILE CG1 C -9.268 -1.741 -1.525 1.00 . A A . 32 ILE CG1 1 1 13 7438 1 1 32 ILE CG2 C -10.591 -0.971 -3.517 1.00 . A A . 32 ILE CG2 1 1 13 7439 1 1 32 ILE H H -8.791 0.861 -0.646 1.00 . A A . 32 ILE H 1 1 13 7440 1 1 32 ILE HA H -11.418 0.924 -1.986 1.00 . A A . 32 ILE HA 1 1 13 7441 1 1 32 ILE HB H -11.412 -1.654 -1.701 1.00 . A A . 32 ILE HB 1 1 13 7442 1 1 32 ILE HD11 H -8.744 -3.280 -0.149 1.00 . A A . 32 ILE HD11 1 1 13 7443 1 1 32 ILE HD12 H -10.396 -2.694 0.034 1.00 . A A . 32 ILE HD12 1 1 13 7444 1 1 32 ILE HD13 H -9.040 -1.713 0.595 1.00 . A A . 32 ILE HD13 1 1 13 7445 1 1 32 ILE HG12 H -9.016 -2.529 -2.225 1.00 . A A . 32 ILE HG12 1 1 13 7446 1 1 32 ILE HG13 H -8.448 -1.044 -1.494 1.00 . A A . 32 ILE HG13 1 1 13 7447 1 1 32 ILE HG21 H -10.517 -1.966 -3.935 1.00 . A A . 32 ILE HG21 1 1 13 7448 1 1 32 ILE HG22 H -9.762 -0.372 -3.866 1.00 . A A . 32 ILE HG22 1 1 13 7449 1 1 32 ILE HG23 H -11.519 -0.518 -3.837 1.00 . A A . 32 ILE HG23 1 1 13 7450 1 1 32 ILE N N -9.450 1.084 -1.345 1.00 . A A . 32 ILE N 1 1 13 7451 1 1 32 ILE O O -10.601 0.122 1.008 1.00 . A A . 32 ILE O 1 1 13 7452 1 1 33 ASN C C -12.814 1.226 2.422 1.00 . A A . 33 ASN C 1 1 13 7453 1 1 33 ASN CA C -13.376 0.263 1.375 1.00 . A A . 33 ASN CA 1 1 13 7454 1 1 33 ASN CB C -13.320 -1.180 1.896 1.00 . A A . 33 ASN CB 1 1 13 7455 1 1 33 ASN CG C -14.032 -2.162 0.982 1.00 . A A . 33 ASN CG 1 1 13 7456 1 1 33 ASN H H -13.173 0.520 -0.716 1.00 . A A . 33 ASN H 1 1 13 7457 1 1 33 ASN HA H -14.407 0.529 1.187 1.00 . A A . 33 ASN HA 1 1 13 7458 1 1 33 ASN HB2 H -12.286 -1.479 1.987 1.00 . A A . 33 ASN HB2 1 1 13 7459 1 1 33 ASN HB3 H -13.788 -1.228 2.871 1.00 . A A . 33 ASN HB3 1 1 13 7460 1 1 33 ASN HD21 H -12.708 -3.591 1.424 1.00 . A A . 33 ASN HD21 1 1 13 7461 1 1 33 ASN HD22 H -13.960 -4.025 0.316 1.00 . A A . 33 ASN HD22 1 1 13 7462 1 1 33 ASN N N -12.649 0.378 0.105 1.00 . A A . 33 ASN N 1 1 13 7463 1 1 33 ASN ND2 N -13.514 -3.378 0.901 1.00 . A A . 33 ASN ND2 1 1 13 7464 1 1 33 ASN O O -12.598 0.850 3.577 1.00 . A A . 33 ASN O 1 1 13 7465 1 1 33 ASN OD1 O -15.033 -1.826 0.346 1.00 . A A . 33 ASN OD1 1 1 13 7466 1 1 34 LYS C C -10.652 3.058 3.451 1.00 . A A . 34 LYS C 1 1 13 7467 1 1 34 LYS CA C -11.976 3.510 2.841 1.00 . A A . 34 LYS CA 1 1 13 7468 1 1 34 LYS CB C -12.938 3.943 3.957 1.00 . A A . 34 LYS CB 1 1 13 7469 1 1 34 LYS CD C -14.991 5.267 4.599 1.00 . A A . 34 LYS CD 1 1 13 7470 1 1 34 LYS CE C -14.440 6.608 5.085 1.00 . A A . 34 LYS CE 1 1 13 7471 1 1 34 LYS CG C -14.173 4.672 3.455 1.00 . A A . 34 LYS CG 1 1 13 7472 1 1 34 LYS H H -12.748 2.697 1.052 1.00 . A A . 34 LYS H 1 1 13 7473 1 1 34 LYS HA H -11.776 4.361 2.206 1.00 . A A . 34 LYS HA 1 1 13 7474 1 1 34 LYS HB2 H -13.266 3.060 4.486 1.00 . A A . 34 LYS HB2 1 1 13 7475 1 1 34 LYS HB3 H -12.412 4.570 4.639 1.00 . A A . 34 LYS HB3 1 1 13 7476 1 1 34 LYS HD2 H -16.000 5.423 4.250 1.00 . A A . 34 LYS HD2 1 1 13 7477 1 1 34 LYS HD3 H -15.009 4.573 5.431 1.00 . A A . 34 LYS HD3 1 1 13 7478 1 1 34 LYS HE2 H -14.325 7.268 4.237 1.00 . A A . 34 LYS HE2 1 1 13 7479 1 1 34 LYS HE3 H -15.153 7.039 5.773 1.00 . A A . 34 LYS HE3 1 1 13 7480 1 1 34 LYS HG2 H -13.872 5.463 2.780 1.00 . A A . 34 LYS HG2 1 1 13 7481 1 1 34 LYS HG3 H -14.792 3.966 2.919 1.00 . A A . 34 LYS HG3 1 1 13 7482 1 1 34 LYS HZ1 H -13.175 5.754 6.521 1.00 . A A . 34 LYS HZ1 1 1 13 7483 1 1 34 LYS HZ2 H -12.880 7.385 6.218 1.00 . A A . 34 LYS HZ2 1 1 13 7484 1 1 34 LYS HZ3 H -12.397 6.235 5.124 1.00 . A A . 34 LYS HZ3 1 1 13 7485 1 1 34 LYS N N -12.563 2.466 1.990 1.00 . A A . 34 LYS N 1 1 13 7486 1 1 34 LYS NZ N -13.125 6.482 5.776 1.00 . A A . 34 LYS NZ 1 1 13 7487 1 1 34 LYS O O -10.225 3.572 4.485 1.00 . A A . 34 LYS O 1 1 13 7488 1 1 35 SER C C -7.701 1.560 2.205 1.00 . A A . 35 SER C 1 1 13 7489 1 1 35 SER CA C -8.753 1.572 3.303 1.00 . A A . 35 SER CA 1 1 13 7490 1 1 35 SER CB C -8.965 0.156 3.836 1.00 . A A . 35 SER CB 1 1 13 7491 1 1 35 SER H H -10.358 1.734 1.982 1.00 . A A . 35 SER H 1 1 13 7492 1 1 35 SER HA H -8.398 2.191 4.120 1.00 . A A . 35 SER HA 1 1 13 7493 1 1 35 SER HB2 H -9.185 -0.515 3.016 1.00 . A A . 35 SER HB2 1 1 13 7494 1 1 35 SER HB3 H -8.070 -0.174 4.343 1.00 . A A . 35 SER HB3 1 1 13 7495 1 1 35 SER HG H -10.268 -0.796 4.952 1.00 . A A . 35 SER HG 1 1 13 7496 1 1 35 SER N N -10.004 2.105 2.808 1.00 . A A . 35 SER N 1 1 13 7497 1 1 35 SER O O -7.934 1.050 1.108 1.00 . A A . 35 SER O 1 1 13 7498 1 1 35 SER OG O -10.050 0.117 4.752 1.00 . A A . 35 SER OG 1 1 13 7499 1 1 36 CYS C C -4.720 0.738 1.784 1.00 . A A . 36 CYS C 1 1 13 7500 1 1 36 CYS CA C -5.427 2.068 1.587 1.00 . A A . 36 CYS CA 1 1 13 7501 1 1 36 CYS CB C -4.458 3.222 1.828 1.00 . A A . 36 CYS CB 1 1 13 7502 1 1 36 CYS H H -6.430 2.565 3.375 1.00 . A A . 36 CYS H 1 1 13 7503 1 1 36 CYS HA H -5.789 2.132 0.565 1.00 . A A . 36 CYS HA 1 1 13 7504 1 1 36 CYS HB2 H -4.959 4.154 1.614 1.00 . A A . 36 CYS HB2 1 1 13 7505 1 1 36 CYS HB3 H -4.147 3.215 2.863 1.00 . A A . 36 CYS HB3 1 1 13 7506 1 1 36 CYS N N -6.558 2.151 2.488 1.00 . A A . 36 CYS N 1 1 13 7507 1 1 36 CYS O O -3.882 0.592 2.675 1.00 . A A . 36 CYS O 1 1 13 7508 1 1 36 CYS SG S -2.962 3.150 0.798 1.00 . A A . 36 CYS SG 1 1 13 7509 1 1 37 LYS C C -3.283 -1.728 0.245 1.00 . A A . 37 LYS C 1 1 13 7510 1 1 37 LYS CA C -4.521 -1.568 1.111 1.00 . A A . 37 LYS CA 1 1 13 7511 1 1 37 LYS CB C -5.552 -2.636 0.742 1.00 . A A . 37 LYS CB 1 1 13 7512 1 1 37 LYS CD C -6.057 -5.107 0.607 1.00 . A A . 37 LYS CD 1 1 13 7513 1 1 37 LYS CE C -6.057 -5.199 -0.909 1.00 . A A . 37 LYS CE 1 1 13 7514 1 1 37 LYS CG C -5.100 -4.041 1.108 1.00 . A A . 37 LYS CG 1 1 13 7515 1 1 37 LYS H H -5.760 -0.072 0.276 1.00 . A A . 37 LYS H 1 1 13 7516 1 1 37 LYS HA H -4.248 -1.712 2.154 1.00 . A A . 37 LYS HA 1 1 13 7517 1 1 37 LYS HB2 H -6.471 -2.426 1.272 1.00 . A A . 37 LYS HB2 1 1 13 7518 1 1 37 LYS HB3 H -5.741 -2.589 -0.321 1.00 . A A . 37 LYS HB3 1 1 13 7519 1 1 37 LYS HD2 H -5.754 -6.061 1.011 1.00 . A A . 37 LYS HD2 1 1 13 7520 1 1 37 LYS HD3 H -7.058 -4.876 0.946 1.00 . A A . 37 LYS HD3 1 1 13 7521 1 1 37 LYS HE2 H -6.529 -4.317 -1.313 1.00 . A A . 37 LYS HE2 1 1 13 7522 1 1 37 LYS HE3 H -5.036 -5.257 -1.264 1.00 . A A . 37 LYS HE3 1 1 13 7523 1 1 37 LYS HG2 H -4.122 -4.229 0.686 1.00 . A A . 37 LYS HG2 1 1 13 7524 1 1 37 LYS HG3 H -5.040 -4.111 2.185 1.00 . A A . 37 LYS HG3 1 1 13 7525 1 1 37 LYS HZ1 H -6.779 -6.431 -2.425 1.00 . A A . 37 LYS HZ1 1 1 13 7526 1 1 37 LYS HZ2 H -7.788 -6.360 -1.071 1.00 . A A . 37 LYS HZ2 1 1 13 7527 1 1 37 LYS HZ3 H -6.357 -7.265 -1.016 1.00 . A A . 37 LYS HZ3 1 1 13 7528 1 1 37 LYS N N -5.074 -0.237 0.967 1.00 . A A . 37 LYS N 1 1 13 7529 1 1 37 LYS NZ N -6.796 -6.396 -1.386 1.00 . A A . 37 LYS NZ 1 1 13 7530 1 1 37 LYS O O -3.322 -1.497 -0.966 1.00 . A A . 37 LYS O 1 1 13 7531 1 1 38 CYS C C -0.967 -3.812 -0.349 1.00 . A A . 38 CYS C 1 1 13 7532 1 1 38 CYS CA C -0.952 -2.381 0.170 1.00 . A A . 38 CYS CA 1 1 13 7533 1 1 38 CYS CB C 0.231 -2.170 1.115 1.00 . A A . 38 CYS CB 1 1 13 7534 1 1 38 CYS H H -2.225 -2.275 1.848 1.00 . A A . 38 CYS H 1 1 13 7535 1 1 38 CYS HA H -0.861 -1.699 -0.664 1.00 . A A . 38 CYS HA 1 1 13 7536 1 1 38 CYS HB2 H 0.136 -2.849 1.952 1.00 . A A . 38 CYS HB2 1 1 13 7537 1 1 38 CYS HB3 H 1.151 -2.387 0.590 1.00 . A A . 38 CYS HB3 1 1 13 7538 1 1 38 CYS N N -2.190 -2.111 0.875 1.00 . A A . 38 CYS N 1 1 13 7539 1 1 38 CYS O O -1.681 -4.663 0.187 1.00 . A A . 38 CYS O 1 1 13 7540 1 1 38 CYS SG S 0.346 -0.483 1.797 1.00 . A A . 38 CYS SG 1 1 13 7541 1 1 39 TYR C C 0.647 -6.399 -1.189 1.00 . A A . 39 TYR C 1 1 13 7542 1 1 39 TYR CA C -0.173 -5.408 -2.012 1.00 . A A . 39 TYR CA 1 1 13 7543 1 1 39 TYR CB C 0.398 -5.353 -3.436 1.00 . A A . 39 TYR CB 1 1 13 7544 1 1 39 TYR CD1 C -1.500 -3.778 -4.051 1.00 . A A . 39 TYR CD1 1 1 13 7545 1 1 39 TYR CD2 C 0.155 -4.270 -5.695 1.00 . A A . 39 TYR CD2 1 1 13 7546 1 1 39 TYR CE1 C -2.146 -2.949 -4.949 1.00 . A A . 39 TYR CE1 1 1 13 7547 1 1 39 TYR CE2 C -0.484 -3.447 -6.596 1.00 . A A . 39 TYR CE2 1 1 13 7548 1 1 39 TYR CG C -0.336 -4.451 -4.408 1.00 . A A . 39 TYR CG 1 1 13 7549 1 1 39 TYR CZ C -1.632 -2.788 -6.220 1.00 . A A . 39 TYR CZ 1 1 13 7550 1 1 39 TYR H H 0.378 -3.367 -1.775 1.00 . A A . 39 TYR H 1 1 13 7551 1 1 39 TYR HA H -1.194 -5.766 -2.066 1.00 . A A . 39 TYR HA 1 1 13 7552 1 1 39 TYR HB2 H 1.386 -4.983 -3.381 1.00 . A A . 39 TYR HB2 1 1 13 7553 1 1 39 TYR HB3 H 0.411 -6.349 -3.859 1.00 . A A . 39 TYR HB3 1 1 13 7554 1 1 39 TYR HD1 H -1.919 -3.898 -3.068 1.00 . A A . 39 TYR HD1 1 1 13 7555 1 1 39 TYR HD2 H 1.057 -4.787 -5.994 1.00 . A A . 39 TYR HD2 1 1 13 7556 1 1 39 TYR HE1 H -3.049 -2.434 -4.655 1.00 . A A . 39 TYR HE1 1 1 13 7557 1 1 39 TYR HE2 H -0.083 -3.321 -7.591 1.00 . A A . 39 TYR HE2 1 1 13 7558 1 1 39 TYR HH H -2.870 -2.475 -7.656 1.00 . A A . 39 TYR HH 1 1 13 7559 1 1 39 TYR N N -0.179 -4.084 -1.388 1.00 . A A . 39 TYR N 1 1 13 7560 1 1 39 TYR O O 0.744 -7.577 -1.531 1.00 . A A . 39 TYR O 1 1 13 7561 1 1 39 TYR OH O -2.263 -1.961 -7.119 1.00 . A A . 39 TYR OH 1 1 13 7562 1 1 40 GLY C C 3.283 -7.270 0.122 1.00 . A A . 40 GLY C 1 1 13 7563 1 1 40 GLY CA C 2.021 -6.745 0.777 1.00 . A A . 40 GLY CA 1 1 13 7564 1 1 40 GLY H H 1.158 -4.964 0.127 1.00 . A A . 40 GLY H 1 1 13 7565 1 1 40 GLY HA2 H 2.299 -6.167 1.646 1.00 . A A . 40 GLY HA2 1 1 13 7566 1 1 40 GLY HA3 H 1.418 -7.585 1.098 1.00 . A A . 40 GLY HA3 1 1 13 7567 1 1 40 GLY N N 1.239 -5.903 -0.107 1.00 . A A . 40 GLY N 1 1 13 7568 1 1 40 GLY O O 3.639 -8.432 0.298 1.00 . A A . 40 GLY O 1 1 13 7569 1 1 41 CYS C C 6.384 -6.661 -0.447 1.00 . A A . 41 CYS C 1 1 13 7570 1 1 41 CYS CA C 5.161 -6.807 -1.347 1.00 . A A . 41 CYS CA 1 1 13 7571 1 1 41 CYS CB C 5.328 -5.940 -2.590 1.00 . A A . 41 CYS CB 1 1 13 7572 1 1 41 CYS H H 3.626 -5.492 -0.701 1.00 . A A . 41 CYS H 1 1 13 7573 1 1 41 CYS HA H 5.071 -7.843 -1.653 1.00 . A A . 41 CYS HA 1 1 13 7574 1 1 41 CYS HB2 H 6.077 -5.182 -2.466 1.00 . A A . 41 CYS HB2 1 1 13 7575 1 1 41 CYS HB3 H 5.649 -6.587 -3.394 1.00 . A A . 41 CYS HB3 1 1 13 7576 1 1 41 CYS N N 3.953 -6.415 -0.634 1.00 . A A . 41 CYS N 1 1 13 7577 1 1 41 CYS O O 7.103 -5.649 -0.573 1.00 . A A . 41 CYS O 1 1 13 7578 1 1 41 CYS OXT O 6.613 -7.553 0.390 1.00 . A A . 41 CYS OXT 1 1 13 7579 1 1 41 CYS SG S 3.778 -5.162 -3.147 1.00 . A A . 41 CYS SG 1 1 14 7580 1 1 1 TRP C C 2.933 3.208 12.482 1.00 . A A . 1 TRP C 1 1 14 7581 1 1 1 TRP CA C 2.826 1.722 12.183 1.00 . A A . 1 TRP CA 1 1 14 7582 1 1 1 TRP CB C 1.384 1.379 11.794 1.00 . A A . 1 TRP CB 1 1 14 7583 1 1 1 TRP CD1 C 1.556 -0.474 10.037 1.00 . A A . 1 TRP CD1 1 1 14 7584 1 1 1 TRP CD2 C 0.666 -1.136 11.978 1.00 . A A . 1 TRP CD2 1 1 14 7585 1 1 1 TRP CE2 C 0.705 -2.237 11.104 1.00 . A A . 1 TRP CE2 1 1 14 7586 1 1 1 TRP CE3 C 0.145 -1.314 13.261 1.00 . A A . 1 TRP CE3 1 1 14 7587 1 1 1 TRP CG C 1.218 -0.018 11.277 1.00 . A A . 1 TRP CG 1 1 14 7588 1 1 1 TRP CH2 C -0.264 -3.643 12.734 1.00 . A A . 1 TRP CH2 1 1 14 7589 1 1 1 TRP CZ2 C 0.242 -3.498 11.472 1.00 . A A . 1 TRP CZ2 1 1 14 7590 1 1 1 TRP CZ3 C -0.314 -2.566 13.624 1.00 . A A . 1 TRP CZ3 1 1 14 7591 1 1 1 TRP H1 H 2.596 1.127 14.148 1.00 . A A . 1 TRP H1 1 1 14 7592 1 1 1 TRP H2 H 4.224 1.218 13.605 1.00 . A A . 1 TRP H2 1 1 14 7593 1 1 1 TRP H3 H 3.227 -0.076 13.099 1.00 . A A . 1 TRP H3 1 1 14 7594 1 1 1 TRP HA H 3.486 1.482 11.359 1.00 . A A . 1 TRP HA 1 1 14 7595 1 1 1 TRP HB2 H 0.749 1.495 12.660 1.00 . A A . 1 TRP HB2 1 1 14 7596 1 1 1 TRP HB3 H 1.049 2.058 11.019 1.00 . A A . 1 TRP HB3 1 1 14 7597 1 1 1 TRP HD1 H 2.000 0.134 9.273 1.00 . A A . 1 TRP HD1 1 1 14 7598 1 1 1 TRP HE1 H 1.407 -2.362 9.133 1.00 . A A . 1 TRP HE1 1 1 14 7599 1 1 1 TRP HE3 H 0.098 -0.495 13.964 1.00 . A A . 1 TRP HE3 1 1 14 7600 1 1 1 TRP HH2 H -0.635 -4.603 13.062 1.00 . A A . 1 TRP HH2 1 1 14 7601 1 1 1 TRP HZ2 H 0.275 -4.339 10.795 1.00 . A A . 1 TRP HZ2 1 1 14 7602 1 1 1 TRP HZ3 H -0.722 -2.722 14.612 1.00 . A A . 1 TRP HZ3 1 1 14 7603 1 1 1 TRP N N 3.251 0.932 13.359 1.00 . A A . 1 TRP N 1 1 14 7604 1 1 1 TRP NE1 N 1.255 -1.808 9.927 1.00 . A A . 1 TRP NE1 1 1 14 7605 1 1 1 TRP O O 2.879 3.622 13.641 1.00 . A A . 1 TRP O 1 1 14 7606 1 1 2 CYS C C 1.827 6.085 11.457 1.00 . A A . 2 CYS C 1 1 14 7607 1 1 2 CYS CA C 3.208 5.442 11.568 1.00 . A A . 2 CYS CA 1 1 14 7608 1 1 2 CYS CB C 4.160 6.006 10.499 1.00 . A A . 2 CYS CB 1 1 14 7609 1 1 2 CYS H H 3.167 3.591 10.563 1.00 . A A . 2 CYS H 1 1 14 7610 1 1 2 CYS HA H 3.620 5.673 12.545 1.00 . A A . 2 CYS HA 1 1 14 7611 1 1 2 CYS HB2 H 4.390 7.030 10.748 1.00 . A A . 2 CYS HB2 1 1 14 7612 1 1 2 CYS HB3 H 5.075 5.431 10.513 1.00 . A A . 2 CYS HB3 1 1 14 7613 1 1 2 CYS N N 3.103 3.999 11.435 1.00 . A A . 2 CYS N 1 1 14 7614 1 1 2 CYS O O 0.911 5.520 10.859 1.00 . A A . 2 CYS O 1 1 14 7615 1 1 2 CYS SG S 3.530 5.996 8.780 1.00 . A A . 2 CYS SG 1 1 14 7616 1 1 3 SER C C 0.054 8.489 10.666 1.00 . A A . 3 SER C 1 1 14 7617 1 1 3 SER CA C 0.407 7.969 12.057 1.00 . A A . 3 SER CA 1 1 14 7618 1 1 3 SER CB C 0.475 9.121 13.059 1.00 . A A . 3 SER CB 1 1 14 7619 1 1 3 SER H H 2.456 7.674 12.498 1.00 . A A . 3 SER H 1 1 14 7620 1 1 3 SER HA H -0.361 7.275 12.376 1.00 . A A . 3 SER HA 1 1 14 7621 1 1 3 SER HB2 H 1.159 9.878 12.699 1.00 . A A . 3 SER HB2 1 1 14 7622 1 1 3 SER HB3 H -0.508 9.550 13.180 1.00 . A A . 3 SER HB3 1 1 14 7623 1 1 3 SER HG H 1.041 9.410 14.915 1.00 . A A . 3 SER HG 1 1 14 7624 1 1 3 SER N N 1.682 7.270 12.036 1.00 . A A . 3 SER N 1 1 14 7625 1 1 3 SER O O -1.114 8.717 10.351 1.00 . A A . 3 SER O 1 1 14 7626 1 1 3 SER OG O 0.933 8.662 14.322 1.00 . A A . 3 SER OG 1 1 14 7627 1 1 4 THR C C 0.420 7.961 7.573 1.00 . A A . 4 THR C 1 1 14 7628 1 1 4 THR CA C 0.866 9.120 8.467 1.00 . A A . 4 THR CA 1 1 14 7629 1 1 4 THR CB C 2.153 9.754 7.906 1.00 . A A . 4 THR CB 1 1 14 7630 1 1 4 THR CG2 C 1.889 10.486 6.599 1.00 . A A . 4 THR CG2 1 1 14 7631 1 1 4 THR H H 1.989 8.465 10.123 1.00 . A A . 4 THR H 1 1 14 7632 1 1 4 THR HA H 0.082 9.871 8.475 1.00 . A A . 4 THR HA 1 1 14 7633 1 1 4 THR HB H 2.893 8.985 7.725 1.00 . A A . 4 THR HB 1 1 14 7634 1 1 4 THR HG1 H 2.050 11.383 9.059 1.00 . A A . 4 THR HG1 1 1 14 7635 1 1 4 THR HG21 H 2.786 11.003 6.292 1.00 . A A . 4 THR HG21 1 1 14 7636 1 1 4 THR HG22 H 1.092 11.204 6.736 1.00 . A A . 4 THR HG22 1 1 14 7637 1 1 4 THR HG23 H 1.608 9.776 5.837 1.00 . A A . 4 THR HG23 1 1 14 7638 1 1 4 THR N N 1.071 8.663 9.832 1.00 . A A . 4 THR N 1 1 14 7639 1 1 4 THR O O -0.125 8.169 6.493 1.00 . A A . 4 THR O 1 1 14 7640 1 1 4 THR OG1 O 2.685 10.680 8.865 1.00 . A A . 4 THR OG1 1 1 14 7641 1 1 5 CYS C C -0.931 4.867 7.962 1.00 . A A . 5 CYS C 1 1 14 7642 1 1 5 CYS CA C 0.241 5.563 7.284 1.00 . A A . 5 CYS CA 1 1 14 7643 1 1 5 CYS CB C 1.422 4.601 7.105 1.00 . A A . 5 CYS CB 1 1 14 7644 1 1 5 CYS H H 1.027 6.623 8.911 1.00 . A A . 5 CYS H 1 1 14 7645 1 1 5 CYS HA H -0.076 5.864 6.308 1.00 . A A . 5 CYS HA 1 1 14 7646 1 1 5 CYS HB2 H 1.081 3.655 6.761 1.00 . A A . 5 CYS HB2 1 1 14 7647 1 1 5 CYS HB3 H 2.097 5.004 6.382 1.00 . A A . 5 CYS HB3 1 1 14 7648 1 1 5 CYS N N 0.639 6.740 8.036 1.00 . A A . 5 CYS N 1 1 14 7649 1 1 5 CYS O O -1.107 3.655 7.848 1.00 . A A . 5 CYS O 1 1 14 7650 1 1 5 CYS SG S 2.412 4.308 8.607 1.00 . A A . 5 CYS SG 1 1 14 7651 1 1 6 LEU C C -4.184 5.511 8.544 1.00 . A A . 6 LEU C 1 1 14 7652 1 1 6 LEU CA C -2.927 5.136 9.327 1.00 . A A . 6 LEU CA 1 1 14 7653 1 1 6 LEU CB C -3.010 5.672 10.759 1.00 . A A . 6 LEU CB 1 1 14 7654 1 1 6 LEU CD1 C -4.070 3.636 11.778 1.00 . A A . 6 LEU CD1 1 1 14 7655 1 1 6 LEU CD2 C -4.231 5.844 12.939 1.00 . A A . 6 LEU CD2 1 1 14 7656 1 1 6 LEU CG C -4.178 5.142 11.593 1.00 . A A . 6 LEU CG 1 1 14 7657 1 1 6 LEU H H -1.573 6.618 8.716 1.00 . A A . 6 LEU H 1 1 14 7658 1 1 6 LEU HA H -2.864 4.057 9.367 1.00 . A A . 6 LEU HA 1 1 14 7659 1 1 6 LEU HB2 H -2.087 5.412 11.262 1.00 . A A . 6 LEU HB2 1 1 14 7660 1 1 6 LEU HB3 H -3.075 6.749 10.720 1.00 . A A . 6 LEU HB3 1 1 14 7661 1 1 6 LEU HD11 H -4.128 3.146 10.819 1.00 . A A . 6 LEU HD11 1 1 14 7662 1 1 6 LEU HD12 H -4.883 3.287 12.401 1.00 . A A . 6 LEU HD12 1 1 14 7663 1 1 6 LEU HD13 H -3.128 3.393 12.250 1.00 . A A . 6 LEU HD13 1 1 14 7664 1 1 6 LEU HD21 H -4.337 6.910 12.788 1.00 . A A . 6 LEU HD21 1 1 14 7665 1 1 6 LEU HD22 H -3.321 5.649 13.490 1.00 . A A . 6 LEU HD22 1 1 14 7666 1 1 6 LEU HD23 H -5.077 5.480 13.505 1.00 . A A . 6 LEU HD23 1 1 14 7667 1 1 6 LEU HG H -5.106 5.346 11.079 1.00 . A A . 6 LEU HG 1 1 14 7668 1 1 6 LEU N N -1.740 5.654 8.663 1.00 . A A . 6 LEU N 1 1 14 7669 1 1 6 LEU O O -4.811 4.658 7.913 1.00 . A A . 6 LEU O 1 1 14 7670 1 1 7 ASP C C -5.412 7.812 6.500 1.00 . A A . 7 ASP C 1 1 14 7671 1 1 7 ASP CA C -5.731 7.279 7.888 1.00 . A A . 7 ASP CA 1 1 14 7672 1 1 7 ASP CB C -6.414 8.377 8.709 1.00 . A A . 7 ASP CB 1 1 14 7673 1 1 7 ASP CG C -7.188 7.838 9.892 1.00 . A A . 7 ASP CG 1 1 14 7674 1 1 7 ASP H H -3.976 7.445 9.049 1.00 . A A . 7 ASP H 1 1 14 7675 1 1 7 ASP HA H -6.428 6.451 7.783 1.00 . A A . 7 ASP HA 1 1 14 7676 1 1 7 ASP HB2 H -5.664 9.059 9.081 1.00 . A A . 7 ASP HB2 1 1 14 7677 1 1 7 ASP HB3 H -7.108 8.925 8.082 1.00 . A A . 7 ASP HB3 1 1 14 7678 1 1 7 ASP N N -4.529 6.794 8.562 1.00 . A A . 7 ASP N 1 1 14 7679 1 1 7 ASP O O -5.009 8.962 6.344 1.00 . A A . 7 ASP O 1 1 14 7680 1 1 7 ASP OD1 O -8.375 7.487 9.718 1.00 . A A . 7 ASP OD1 1 1 14 7681 1 1 7 ASP OD2 O -6.625 7.784 11.003 1.00 . A A . 7 ASP OD2 1 1 14 7682 1 1 8 LEU C C -6.655 7.065 3.299 1.00 . A A . 8 LEU C 1 1 14 7683 1 1 8 LEU CA C -5.400 7.373 4.104 1.00 . A A . 8 LEU CA 1 1 14 7684 1 1 8 LEU CB C -4.201 6.660 3.448 1.00 . A A . 8 LEU CB 1 1 14 7685 1 1 8 LEU CD1 C -2.651 8.578 3.967 1.00 . A A . 8 LEU CD1 1 1 14 7686 1 1 8 LEU CD2 C -2.506 6.461 5.294 1.00 . A A . 8 LEU CD2 1 1 14 7687 1 1 8 LEU CG C -2.804 7.065 3.934 1.00 . A A . 8 LEU CG 1 1 14 7688 1 1 8 LEU H H -5.888 6.045 5.680 1.00 . A A . 8 LEU H 1 1 14 7689 1 1 8 LEU HA H -5.247 8.441 4.059 1.00 . A A . 8 LEU HA 1 1 14 7690 1 1 8 LEU HB2 H -4.321 5.596 3.594 1.00 . A A . 8 LEU HB2 1 1 14 7691 1 1 8 LEU HB3 H -4.228 6.852 2.382 1.00 . A A . 8 LEU HB3 1 1 14 7692 1 1 8 LEU HD11 H -1.618 8.826 4.164 1.00 . A A . 8 LEU HD11 1 1 14 7693 1 1 8 LEU HD12 H -3.269 8.998 4.741 1.00 . A A . 8 LEU HD12 1 1 14 7694 1 1 8 LEU HD13 H -2.938 8.996 3.012 1.00 . A A . 8 LEU HD13 1 1 14 7695 1 1 8 LEU HD21 H -2.940 7.055 6.080 1.00 . A A . 8 LEU HD21 1 1 14 7696 1 1 8 LEU HD22 H -1.451 6.440 5.415 1.00 . A A . 8 LEU HD22 1 1 14 7697 1 1 8 LEU HD23 H -2.889 5.449 5.350 1.00 . A A . 8 LEU HD23 1 1 14 7698 1 1 8 LEU HG H -2.073 6.681 3.237 1.00 . A A . 8 LEU HG 1 1 14 7699 1 1 8 LEU N N -5.578 6.963 5.496 1.00 . A A . 8 LEU N 1 1 14 7700 1 1 8 LEU O O -6.565 6.757 2.109 1.00 . A A . 8 LEU O 1 1 14 7701 1 1 9 ALA C C -9.372 7.432 2.034 1.00 . A A . 9 ALA C 1 1 14 7702 1 1 9 ALA CA C -9.112 6.768 3.385 1.00 . A A . 9 ALA CA 1 1 14 7703 1 1 9 ALA CB C -10.238 7.087 4.360 1.00 . A A . 9 ALA CB 1 1 14 7704 1 1 9 ALA H H -7.802 7.436 4.907 1.00 . A A . 9 ALA H 1 1 14 7705 1 1 9 ALA HA H -9.092 5.695 3.249 1.00 . A A . 9 ALA HA 1 1 14 7706 1 1 9 ALA HB1 H -10.302 8.156 4.505 1.00 . A A . 9 ALA HB1 1 1 14 7707 1 1 9 ALA HB2 H -10.036 6.610 5.308 1.00 . A A . 9 ALA HB2 1 1 14 7708 1 1 9 ALA HB3 H -11.175 6.719 3.966 1.00 . A A . 9 ALA HB3 1 1 14 7709 1 1 9 ALA N N -7.817 7.166 3.960 1.00 . A A . 9 ALA N 1 1 14 7710 1 1 9 ALA O O -10.066 8.448 1.942 1.00 . A A . 9 ALA O 1 1 14 7711 1 1 10 CYS C C -8.447 8.797 -0.404 1.00 . A A . 10 CYS C 1 1 14 7712 1 1 10 CYS CA C -8.850 7.339 -0.359 1.00 . A A . 10 CYS CA 1 1 14 7713 1 1 10 CYS CB C -10.216 7.091 -0.993 1.00 . A A . 10 CYS CB 1 1 14 7714 1 1 10 CYS H H -8.247 6.043 1.180 1.00 . A A . 10 CYS H 1 1 14 7715 1 1 10 CYS HA H -8.094 6.825 -0.929 1.00 . A A . 10 CYS HA 1 1 14 7716 1 1 10 CYS HB2 H -10.991 7.390 -0.302 1.00 . A A . 10 CYS HB2 1 1 14 7717 1 1 10 CYS HB3 H -10.308 7.662 -1.908 1.00 . A A . 10 CYS HB3 1 1 14 7718 1 1 10 CYS N N -8.798 6.831 1.002 1.00 . A A . 10 CYS N 1 1 14 7719 1 1 10 CYS O O -9.135 9.643 -0.985 1.00 . A A . 10 CYS O 1 1 14 7720 1 1 10 CYS SG S -10.484 5.336 -1.413 1.00 . A A . 10 CYS SG 1 1 14 7721 1 1 11 THR C C -5.999 10.556 -1.181 1.00 . A A . 11 THR C 1 1 14 7722 1 1 11 THR CA C -6.709 10.391 0.155 1.00 . A A . 11 THR CA 1 1 14 7723 1 1 11 THR CB C -5.699 10.593 1.298 1.00 . A A . 11 THR CB 1 1 14 7724 1 1 11 THR CG2 C -6.411 10.851 2.616 1.00 . A A . 11 THR CG2 1 1 14 7725 1 1 11 THR H H -6.814 8.348 0.655 1.00 . A A . 11 THR H 1 1 14 7726 1 1 11 THR HA H -7.491 11.141 0.227 1.00 . A A . 11 THR HA 1 1 14 7727 1 1 11 THR HB H -5.069 11.450 1.088 1.00 . A A . 11 THR HB 1 1 14 7728 1 1 11 THR HG1 H -5.333 8.704 1.801 1.00 . A A . 11 THR HG1 1 1 14 7729 1 1 11 THR HG21 H -5.679 10.988 3.398 1.00 . A A . 11 THR HG21 1 1 14 7730 1 1 11 THR HG22 H -7.041 10.007 2.859 1.00 . A A . 11 THR HG22 1 1 14 7731 1 1 11 THR HG23 H -7.018 11.742 2.532 1.00 . A A . 11 THR HG23 1 1 14 7732 1 1 11 THR N N -7.311 9.076 0.222 1.00 . A A . 11 THR N 1 1 14 7733 1 1 11 THR O O -5.958 11.644 -1.753 1.00 . A A . 11 THR O 1 1 14 7734 1 1 11 THR OG1 O -4.866 9.432 1.415 1.00 . A A . 11 THR OG1 1 1 14 7735 1 1 12 GLY C C -3.767 8.332 -3.020 1.00 . A A . 12 GLY C 1 1 14 7736 1 1 12 GLY CA C -4.782 9.446 -2.947 1.00 . A A . 12 GLY CA 1 1 14 7737 1 1 12 GLY H H -5.533 8.605 -1.174 1.00 . A A . 12 GLY H 1 1 14 7738 1 1 12 GLY HA2 H -5.517 9.323 -3.730 1.00 . A A . 12 GLY HA2 1 1 14 7739 1 1 12 GLY HA3 H -4.269 10.390 -3.095 1.00 . A A . 12 GLY HA3 1 1 14 7740 1 1 12 GLY N N -5.459 9.452 -1.673 1.00 . A A . 12 GLY N 1 1 14 7741 1 1 12 GLY O O -2.959 8.168 -2.107 1.00 . A A . 12 GLY O 1 1 14 7742 1 1 13 SER C C -1.434 7.030 -4.235 1.00 . A A . 13 SER C 1 1 14 7743 1 1 13 SER CA C -2.862 6.473 -4.297 1.00 . A A . 13 SER CA 1 1 14 7744 1 1 13 SER CB C -3.135 5.798 -5.648 1.00 . A A . 13 SER CB 1 1 14 7745 1 1 13 SER H H -4.508 7.719 -4.776 1.00 . A A . 13 SER H 1 1 14 7746 1 1 13 SER HA H -2.990 5.747 -3.506 1.00 . A A . 13 SER HA 1 1 14 7747 1 1 13 SER HB2 H -4.144 5.414 -5.653 1.00 . A A . 13 SER HB2 1 1 14 7748 1 1 13 SER HB3 H -3.029 6.529 -6.438 1.00 . A A . 13 SER HB3 1 1 14 7749 1 1 13 SER HG H -2.544 4.230 -6.671 1.00 . A A . 13 SER HG 1 1 14 7750 1 1 13 SER N N -3.821 7.548 -4.087 1.00 . A A . 13 SER N 1 1 14 7751 1 1 13 SER O O -0.544 6.441 -3.611 1.00 . A A . 13 SER O 1 1 14 7752 1 1 13 SER OG O -2.243 4.721 -5.903 1.00 . A A . 13 SER OG 1 1 14 7753 1 1 14 LYS C C 0.462 9.256 -3.399 1.00 . A A . 14 LYS C 1 1 14 7754 1 1 14 LYS CA C 0.046 8.887 -4.825 1.00 . A A . 14 LYS CA 1 1 14 7755 1 1 14 LYS CB C -0.021 10.143 -5.697 1.00 . A A . 14 LYS CB 1 1 14 7756 1 1 14 LYS CD C -1.172 12.319 -6.218 1.00 . A A . 14 LYS CD 1 1 14 7757 1 1 14 LYS CE C 0.066 13.166 -5.983 1.00 . A A . 14 LYS CE 1 1 14 7758 1 1 14 LYS CG C -1.174 11.074 -5.346 1.00 . A A . 14 LYS CG 1 1 14 7759 1 1 14 LYS H H -2.001 8.616 -5.301 1.00 . A A . 14 LYS H 1 1 14 7760 1 1 14 LYS HA H 0.767 8.241 -5.226 1.00 . A A . 14 LYS HA 1 1 14 7761 1 1 14 LYS HB2 H 0.912 10.675 -5.597 1.00 . A A . 14 LYS HB2 1 1 14 7762 1 1 14 LYS HB3 H -0.135 9.836 -6.728 1.00 . A A . 14 LYS HB3 1 1 14 7763 1 1 14 LYS HD2 H -1.204 12.026 -7.258 1.00 . A A . 14 LYS HD2 1 1 14 7764 1 1 14 LYS HD3 H -2.047 12.908 -5.984 1.00 . A A . 14 LYS HD3 1 1 14 7765 1 1 14 LYS HE2 H 0.085 13.483 -4.951 1.00 . A A . 14 LYS HE2 1 1 14 7766 1 1 14 LYS HE3 H 0.949 12.585 -6.196 1.00 . A A . 14 LYS HE3 1 1 14 7767 1 1 14 LYS HG2 H -2.108 10.559 -5.497 1.00 . A A . 14 LYS HG2 1 1 14 7768 1 1 14 LYS HG3 H -1.088 11.368 -4.309 1.00 . A A . 14 LYS HG3 1 1 14 7769 1 1 14 LYS HZ1 H -0.747 14.968 -6.662 1.00 . A A . 14 LYS HZ1 1 1 14 7770 1 1 14 LYS HZ2 H 0.078 14.093 -7.856 1.00 . A A . 14 LYS HZ2 1 1 14 7771 1 1 14 LYS HZ3 H 0.944 14.926 -6.667 1.00 . A A . 14 LYS HZ3 1 1 14 7772 1 1 14 LYS N N -1.241 8.198 -4.845 1.00 . A A . 14 LYS N 1 1 14 7773 1 1 14 LYS NZ N 0.085 14.370 -6.852 1.00 . A A . 14 LYS NZ 1 1 14 7774 1 1 14 LYS O O 1.648 9.402 -3.104 1.00 . A A . 14 LYS O 1 1 14 7775 1 1 15 ASP C C -0.106 8.437 -0.304 1.00 . A A . 15 ASP C 1 1 14 7776 1 1 15 ASP CA C -0.254 9.709 -1.120 1.00 . A A . 15 ASP CA 1 1 14 7777 1 1 15 ASP CB C -1.363 10.579 -0.526 1.00 . A A . 15 ASP CB 1 1 14 7778 1 1 15 ASP CG C -1.132 12.051 -0.775 1.00 . A A . 15 ASP CG 1 1 14 7779 1 1 15 ASP H H -1.441 9.287 -2.795 1.00 . A A . 15 ASP H 1 1 14 7780 1 1 15 ASP HA H 0.685 10.250 -1.056 1.00 . A A . 15 ASP HA 1 1 14 7781 1 1 15 ASP HB2 H -2.310 10.306 -0.969 1.00 . A A . 15 ASP HB2 1 1 14 7782 1 1 15 ASP HB3 H -1.420 10.428 0.546 1.00 . A A . 15 ASP HB3 1 1 14 7783 1 1 15 ASP N N -0.519 9.401 -2.519 1.00 . A A . 15 ASP N 1 1 14 7784 1 1 15 ASP O O 0.431 8.463 0.798 1.00 . A A . 15 ASP O 1 1 14 7785 1 1 15 ASP OD1 O -1.442 12.526 -1.885 1.00 . A A . 15 ASP OD1 1 1 14 7786 1 1 15 ASP OD2 O -0.636 12.741 0.142 1.00 . A A . 15 ASP OD2 1 1 14 7787 1 1 16 CYS C C 0.903 5.416 -0.414 1.00 . A A . 16 CYS C 1 1 14 7788 1 1 16 CYS CA C -0.473 6.038 -0.180 1.00 . A A . 16 CYS CA 1 1 14 7789 1 1 16 CYS CB C -1.558 5.080 -0.670 1.00 . A A . 16 CYS CB 1 1 14 7790 1 1 16 CYS H H -1.023 7.365 -1.717 1.00 . A A . 16 CYS H 1 1 14 7791 1 1 16 CYS HA H -0.604 6.187 0.886 1.00 . A A . 16 CYS HA 1 1 14 7792 1 1 16 CYS HB2 H -1.480 4.980 -1.742 1.00 . A A . 16 CYS HB2 1 1 14 7793 1 1 16 CYS HB3 H -1.409 4.110 -0.212 1.00 . A A . 16 CYS HB3 1 1 14 7794 1 1 16 CYS N N -0.593 7.332 -0.845 1.00 . A A . 16 CYS N 1 1 14 7795 1 1 16 CYS O O 1.403 4.681 0.435 1.00 . A A . 16 CYS O 1 1 14 7796 1 1 16 CYS SG S -3.261 5.607 -0.293 1.00 . A A . 16 CYS SG 1 1 14 7797 1 1 17 TYR C C 3.835 5.202 -0.812 1.00 . A A . 17 TYR C 1 1 14 7798 1 1 17 TYR CA C 2.810 5.167 -1.956 1.00 . A A . 17 TYR CA 1 1 14 7799 1 1 17 TYR CB C 3.381 5.924 -3.163 1.00 . A A . 17 TYR CB 1 1 14 7800 1 1 17 TYR CD1 C 1.779 4.657 -4.667 1.00 . A A . 17 TYR CD1 1 1 14 7801 1 1 17 TYR CD2 C 2.635 6.747 -5.426 1.00 . A A . 17 TYR CD2 1 1 14 7802 1 1 17 TYR CE1 C 1.056 4.523 -5.836 1.00 . A A . 17 TYR CE1 1 1 14 7803 1 1 17 TYR CE2 C 1.915 6.620 -6.596 1.00 . A A . 17 TYR CE2 1 1 14 7804 1 1 17 TYR CG C 2.581 5.771 -4.441 1.00 . A A . 17 TYR CG 1 1 14 7805 1 1 17 TYR CZ C 1.126 5.508 -6.796 1.00 . A A . 17 TYR CZ 1 1 14 7806 1 1 17 TYR H H 1.045 6.319 -2.206 1.00 . A A . 17 TYR H 1 1 14 7807 1 1 17 TYR HA H 2.655 4.143 -2.213 1.00 . A A . 17 TYR HA 1 1 14 7808 1 1 17 TYR HB2 H 3.426 6.976 -2.920 1.00 . A A . 17 TYR HB2 1 1 14 7809 1 1 17 TYR HB3 H 4.385 5.569 -3.365 1.00 . A A . 17 TYR HB3 1 1 14 7810 1 1 17 TYR HD1 H 1.703 3.885 -3.928 1.00 . A A . 17 TYR HD1 1 1 14 7811 1 1 17 TYR HD2 H 3.254 7.621 -5.272 1.00 . A A . 17 TYR HD2 1 1 14 7812 1 1 17 TYR HE1 H 0.439 3.651 -5.992 1.00 . A A . 17 TYR HE1 1 1 14 7813 1 1 17 TYR HE2 H 1.970 7.392 -7.349 1.00 . A A . 17 TYR HE2 1 1 14 7814 1 1 17 TYR HH H -0.488 5.717 -7.818 1.00 . A A . 17 TYR HH 1 1 14 7815 1 1 17 TYR N N 1.503 5.725 -1.568 1.00 . A A . 17 TYR N 1 1 14 7816 1 1 17 TYR O O 4.310 4.158 -0.356 1.00 . A A . 17 TYR O 1 1 14 7817 1 1 17 TYR OH O 0.401 5.384 -7.958 1.00 . A A . 17 TYR OH 1 1 14 7818 1 1 18 ALA C C 4.863 5.859 1.983 1.00 . A A . 18 ALA C 1 1 14 7819 1 1 18 ALA CA C 5.202 6.586 0.669 1.00 . A A . 18 ALA CA 1 1 14 7820 1 1 18 ALA CB C 5.458 8.069 0.917 1.00 . A A . 18 ALA CB 1 1 14 7821 1 1 18 ALA H H 3.750 7.204 -0.757 1.00 . A A . 18 ALA H 1 1 14 7822 1 1 18 ALA HA H 6.120 6.163 0.280 1.00 . A A . 18 ALA HA 1 1 14 7823 1 1 18 ALA HB1 H 5.729 8.242 1.951 1.00 . A A . 18 ALA HB1 1 1 14 7824 1 1 18 ALA HB2 H 4.576 8.645 0.679 1.00 . A A . 18 ALA HB2 1 1 14 7825 1 1 18 ALA HB3 H 6.270 8.394 0.283 1.00 . A A . 18 ALA HB3 1 1 14 7826 1 1 18 ALA N N 4.168 6.406 -0.355 1.00 . A A . 18 ALA N 1 1 14 7827 1 1 18 ALA O O 5.698 5.116 2.504 1.00 . A A . 18 ALA O 1 1 14 7828 1 1 19 PRO C C 3.283 3.824 3.604 1.00 . A A . 19 PRO C 1 1 14 7829 1 1 19 PRO CA C 3.216 5.345 3.762 1.00 . A A . 19 PRO CA 1 1 14 7830 1 1 19 PRO CB C 1.764 5.793 3.934 1.00 . A A . 19 PRO CB 1 1 14 7831 1 1 19 PRO CD C 2.649 7.063 2.134 1.00 . A A . 19 PRO CD 1 1 14 7832 1 1 19 PRO CG C 1.716 7.136 3.308 1.00 . A A . 19 PRO CG 1 1 14 7833 1 1 19 PRO HA H 3.788 5.638 4.630 1.00 . A A . 19 PRO HA 1 1 14 7834 1 1 19 PRO HB2 H 1.083 5.110 3.443 1.00 . A A . 19 PRO HB2 1 1 14 7835 1 1 19 PRO HB3 H 1.527 5.863 4.955 1.00 . A A . 19 PRO HB3 1 1 14 7836 1 1 19 PRO HD2 H 2.136 6.751 1.260 1.00 . A A . 19 PRO HD2 1 1 14 7837 1 1 19 PRO HD3 H 3.094 8.025 1.982 1.00 . A A . 19 PRO HD3 1 1 14 7838 1 1 19 PRO HG2 H 0.710 7.353 2.980 1.00 . A A . 19 PRO HG2 1 1 14 7839 1 1 19 PRO HG3 H 2.054 7.883 4.010 1.00 . A A . 19 PRO HG3 1 1 14 7840 1 1 19 PRO N N 3.657 6.072 2.561 1.00 . A A . 19 PRO N 1 1 14 7841 1 1 19 PRO O O 3.602 3.112 4.555 1.00 . A A . 19 PRO O 1 1 14 7842 1 1 20 CYS C C 4.496 1.412 2.136 1.00 . A A . 20 CYS C 1 1 14 7843 1 1 20 CYS CA C 3.052 1.890 2.146 1.00 . A A . 20 CYS CA 1 1 14 7844 1 1 20 CYS CB C 2.348 1.529 0.838 1.00 . A A . 20 CYS CB 1 1 14 7845 1 1 20 CYS H H 2.726 3.934 1.675 1.00 . A A . 20 CYS H 1 1 14 7846 1 1 20 CYS HA H 2.555 1.384 2.964 1.00 . A A . 20 CYS HA 1 1 14 7847 1 1 20 CYS HB2 H 2.663 2.213 0.064 1.00 . A A . 20 CYS HB2 1 1 14 7848 1 1 20 CYS HB3 H 2.604 0.517 0.549 1.00 . A A . 20 CYS HB3 1 1 14 7849 1 1 20 CYS N N 2.980 3.326 2.408 1.00 . A A . 20 CYS N 1 1 14 7850 1 1 20 CYS O O 4.792 0.301 2.594 1.00 . A A . 20 CYS O 1 1 14 7851 1 1 20 CYS SG S 0.535 1.620 0.956 1.00 . A A . 20 CYS SG 1 1 14 7852 1 1 21 ARG C C 7.215 1.876 3.207 1.00 . A A . 21 ARG C 1 1 14 7853 1 1 21 ARG CA C 6.827 1.961 1.735 1.00 . A A . 21 ARG CA 1 1 14 7854 1 1 21 ARG CB C 7.681 3.031 1.043 1.00 . A A . 21 ARG CB 1 1 14 7855 1 1 21 ARG CD C 10.026 3.949 1.230 1.00 . A A . 21 ARG CD 1 1 14 7856 1 1 21 ARG CG C 9.169 2.703 1.072 1.00 . A A . 21 ARG CG 1 1 14 7857 1 1 21 ARG CZ C 10.490 6.041 0.017 1.00 . A A . 21 ARG CZ 1 1 14 7858 1 1 21 ARG H H 5.119 3.131 1.290 1.00 . A A . 21 ARG H 1 1 14 7859 1 1 21 ARG HA H 7.011 1.001 1.267 1.00 . A A . 21 ARG HA 1 1 14 7860 1 1 21 ARG HB2 H 7.370 3.107 0.011 1.00 . A A . 21 ARG HB2 1 1 14 7861 1 1 21 ARG HB3 H 7.519 3.981 1.528 1.00 . A A . 21 ARG HB3 1 1 14 7862 1 1 21 ARG HD2 H 9.641 4.522 2.063 1.00 . A A . 21 ARG HD2 1 1 14 7863 1 1 21 ARG HD3 H 11.037 3.640 1.453 1.00 . A A . 21 ARG HD3 1 1 14 7864 1 1 21 ARG HE H 9.744 4.382 -0.816 1.00 . A A . 21 ARG HE 1 1 14 7865 1 1 21 ARG HG2 H 9.401 2.030 1.884 1.00 . A A . 21 ARG HG2 1 1 14 7866 1 1 21 ARG HG3 H 9.430 2.229 0.137 1.00 . A A . 21 ARG HG3 1 1 14 7867 1 1 21 ARG HH11 H 10.797 6.173 2.026 1.00 . A A . 21 ARG HH11 1 1 14 7868 1 1 21 ARG HH12 H 11.182 7.585 1.120 1.00 . A A . 21 ARG HH12 1 1 14 7869 1 1 21 ARG HH21 H 10.285 6.262 -1.983 1.00 . A A . 21 ARG HH21 1 1 14 7870 1 1 21 ARG HH22 H 10.899 7.648 -1.142 1.00 . A A . 21 ARG HH22 1 1 14 7871 1 1 21 ARG N N 5.402 2.252 1.635 1.00 . A A . 21 ARG N 1 1 14 7872 1 1 21 ARG NE N 10.044 4.786 0.032 1.00 . A A . 21 ARG NE 1 1 14 7873 1 1 21 ARG NH1 N 10.849 6.640 1.147 1.00 . A A . 21 ARG NH1 1 1 14 7874 1 1 21 ARG NH2 N 10.564 6.703 -1.127 1.00 . A A . 21 ARG NH2 1 1 14 7875 1 1 21 ARG O O 7.952 0.985 3.615 1.00 . A A . 21 ARG O 1 1 14 7876 1 1 22 LYS C C 6.411 1.539 6.086 1.00 . A A . 22 LYS C 1 1 14 7877 1 1 22 LYS CA C 6.919 2.822 5.434 1.00 . A A . 22 LYS CA 1 1 14 7878 1 1 22 LYS CB C 6.230 4.038 6.063 1.00 . A A . 22 LYS CB 1 1 14 7879 1 1 22 LYS CD C 7.805 4.789 7.892 1.00 . A A . 22 LYS CD 1 1 14 7880 1 1 22 LYS CE C 8.839 3.681 7.779 1.00 . A A . 22 LYS CE 1 1 14 7881 1 1 22 LYS CG C 7.177 5.132 6.545 1.00 . A A . 22 LYS CG 1 1 14 7882 1 1 22 LYS H H 6.095 3.486 3.602 1.00 . A A . 22 LYS H 1 1 14 7883 1 1 22 LYS HA H 7.981 2.885 5.564 1.00 . A A . 22 LYS HA 1 1 14 7884 1 1 22 LYS HB2 H 5.567 4.487 5.337 1.00 . A A . 22 LYS HB2 1 1 14 7885 1 1 22 LYS HB3 H 5.627 3.722 6.909 1.00 . A A . 22 LYS HB3 1 1 14 7886 1 1 22 LYS HD2 H 8.290 5.672 8.280 1.00 . A A . 22 LYS HD2 1 1 14 7887 1 1 22 LYS HD3 H 7.030 4.478 8.580 1.00 . A A . 22 LYS HD3 1 1 14 7888 1 1 22 LYS HE2 H 8.416 2.837 7.310 1.00 . A A . 22 LYS HE2 1 1 14 7889 1 1 22 LYS HE3 H 9.678 4.038 7.203 1.00 . A A . 22 LYS HE3 1 1 14 7890 1 1 22 LYS HG2 H 7.959 5.281 5.812 1.00 . A A . 22 LYS HG2 1 1 14 7891 1 1 22 LYS HG3 H 6.614 6.048 6.651 1.00 . A A . 22 LYS HG3 1 1 14 7892 1 1 22 LYS HZ1 H 8.534 2.866 9.679 1.00 . A A . 22 LYS HZ1 1 1 14 7893 1 1 22 LYS HZ2 H 9.768 4.024 9.619 1.00 . A A . 22 LYS HZ2 1 1 14 7894 1 1 22 LYS HZ3 H 10.030 2.476 8.992 1.00 . A A . 22 LYS HZ3 1 1 14 7895 1 1 22 LYS N N 6.688 2.804 3.995 1.00 . A A . 22 LYS N 1 1 14 7896 1 1 22 LYS NZ N 9.325 3.232 9.109 1.00 . A A . 22 LYS NZ 1 1 14 7897 1 1 22 LYS O O 7.102 0.933 6.902 1.00 . A A . 22 LYS O 1 1 14 7898 1 1 23 GLN C C 5.374 -1.332 5.917 1.00 . A A . 23 GLN C 1 1 14 7899 1 1 23 GLN CA C 4.599 -0.070 6.277 1.00 . A A . 23 GLN CA 1 1 14 7900 1 1 23 GLN CB C 3.155 -0.225 5.794 1.00 . A A . 23 GLN CB 1 1 14 7901 1 1 23 GLN CD C 0.758 0.517 5.940 1.00 . A A . 23 GLN CD 1 1 14 7902 1 1 23 GLN CG C 2.189 0.807 6.348 1.00 . A A . 23 GLN CG 1 1 14 7903 1 1 23 GLN H H 4.703 1.650 5.045 1.00 . A A . 23 GLN H 1 1 14 7904 1 1 23 GLN HA H 4.594 0.032 7.355 1.00 . A A . 23 GLN HA 1 1 14 7905 1 1 23 GLN HB2 H 3.144 -0.149 4.717 1.00 . A A . 23 GLN HB2 1 1 14 7906 1 1 23 GLN HB3 H 2.792 -1.208 6.078 1.00 . A A . 23 GLN HB3 1 1 14 7907 1 1 23 GLN HE21 H 0.293 2.443 6.001 1.00 . A A . 23 GLN HE21 1 1 14 7908 1 1 23 GLN HE22 H -0.979 1.385 5.575 1.00 . A A . 23 GLN HE22 1 1 14 7909 1 1 23 GLN HG2 H 2.250 0.802 7.420 1.00 . A A . 23 GLN HG2 1 1 14 7910 1 1 23 GLN HG3 H 2.465 1.777 5.983 1.00 . A A . 23 GLN HG3 1 1 14 7911 1 1 23 GLN N N 5.209 1.126 5.711 1.00 . A A . 23 GLN N 1 1 14 7912 1 1 23 GLN NE2 N -0.049 1.558 5.830 1.00 . A A . 23 GLN NE2 1 1 14 7913 1 1 23 GLN O O 5.851 -2.051 6.795 1.00 . A A . 23 GLN O 1 1 14 7914 1 1 23 GLN OE1 O 0.381 -0.637 5.732 1.00 . A A . 23 GLN OE1 1 1 14 7915 1 1 24 THR C C 7.264 -2.837 3.363 1.00 . A A . 24 THR C 1 1 14 7916 1 1 24 THR CA C 5.971 -2.906 4.181 1.00 . A A . 24 THR CA 1 1 14 7917 1 1 24 THR CB C 4.879 -3.604 3.351 1.00 . A A . 24 THR CB 1 1 14 7918 1 1 24 THR CG2 C 3.684 -3.966 4.221 1.00 . A A . 24 THR CG2 1 1 14 7919 1 1 24 THR H H 5.110 -0.989 3.962 1.00 . A A . 24 THR H 1 1 14 7920 1 1 24 THR HA H 6.177 -3.525 5.047 1.00 . A A . 24 THR HA 1 1 14 7921 1 1 24 THR HB H 5.259 -4.506 2.965 1.00 . A A . 24 THR HB 1 1 14 7922 1 1 24 THR HG1 H 4.069 -3.285 1.574 1.00 . A A . 24 THR HG1 1 1 14 7923 1 1 24 THR HG21 H 3.266 -3.069 4.655 1.00 . A A . 24 THR HG21 1 1 14 7924 1 1 24 THR HG22 H 3.998 -4.635 5.009 1.00 . A A . 24 THR HG22 1 1 14 7925 1 1 24 THR HG23 H 2.935 -4.454 3.615 1.00 . A A . 24 THR HG23 1 1 14 7926 1 1 24 THR N N 5.505 -1.601 4.627 1.00 . A A . 24 THR N 1 1 14 7927 1 1 24 THR O O 7.930 -3.854 3.162 1.00 . A A . 24 THR O 1 1 14 7928 1 1 24 THR OG1 O 4.451 -2.753 2.277 1.00 . A A . 24 THR OG1 1 1 14 7929 1 1 25 GLY C C 8.409 -1.310 0.592 1.00 . A A . 25 GLY C 1 1 14 7930 1 1 25 GLY CA C 8.792 -1.512 2.044 1.00 . A A . 25 GLY CA 1 1 14 7931 1 1 25 GLY H H 7.080 -0.856 3.077 1.00 . A A . 25 GLY H 1 1 14 7932 1 1 25 GLY HA2 H 9.355 -0.650 2.370 1.00 . A A . 25 GLY HA2 1 1 14 7933 1 1 25 GLY HA3 H 9.430 -2.384 2.119 1.00 . A A . 25 GLY HA3 1 1 14 7934 1 1 25 GLY N N 7.625 -1.648 2.900 1.00 . A A . 25 GLY N 1 1 14 7935 1 1 25 GLY O O 9.130 -0.657 -0.165 1.00 . A A . 25 GLY O 1 1 14 7936 1 1 26 CYS C C 5.799 -0.570 -1.259 1.00 . A A . 26 CYS C 1 1 14 7937 1 1 26 CYS CA C 6.773 -1.742 -1.155 1.00 . A A . 26 CYS CA 1 1 14 7938 1 1 26 CYS CB C 6.111 -3.049 -1.602 1.00 . A A . 26 CYS CB 1 1 14 7939 1 1 26 CYS H H 6.727 -2.371 0.848 1.00 . A A . 26 CYS H 1 1 14 7940 1 1 26 CYS HA H 7.623 -1.572 -1.794 1.00 . A A . 26 CYS HA 1 1 14 7941 1 1 26 CYS HB2 H 5.357 -3.314 -0.899 1.00 . A A . 26 CYS HB2 1 1 14 7942 1 1 26 CYS HB3 H 5.641 -2.891 -2.566 1.00 . A A . 26 CYS HB3 1 1 14 7943 1 1 26 CYS N N 7.270 -1.865 0.209 1.00 . A A . 26 CYS N 1 1 14 7944 1 1 26 CYS O O 4.824 -0.495 -0.512 1.00 . A A . 26 CYS O 1 1 14 7945 1 1 26 CYS SG S 7.277 -4.443 -1.800 1.00 . A A . 26 CYS SG 1 1 14 7946 1 1 27 PRO C C 4.077 1.571 -3.168 1.00 . A A . 27 PRO C 1 1 14 7947 1 1 27 PRO CA C 5.328 1.625 -2.285 1.00 . A A . 27 PRO CA 1 1 14 7948 1 1 27 PRO CB C 6.370 2.541 -2.916 1.00 . A A . 27 PRO CB 1 1 14 7949 1 1 27 PRO CD C 7.122 0.275 -3.215 1.00 . A A . 27 PRO CD 1 1 14 7950 1 1 27 PRO CG C 7.128 1.649 -3.841 1.00 . A A . 27 PRO CG 1 1 14 7951 1 1 27 PRO HA H 5.062 2.011 -1.312 1.00 . A A . 27 PRO HA 1 1 14 7952 1 1 27 PRO HB2 H 5.899 3.361 -3.445 1.00 . A A . 27 PRO HB2 1 1 14 7953 1 1 27 PRO HB3 H 7.014 2.934 -2.146 1.00 . A A . 27 PRO HB3 1 1 14 7954 1 1 27 PRO HD2 H 6.885 -0.477 -3.954 1.00 . A A . 27 PRO HD2 1 1 14 7955 1 1 27 PRO HD3 H 8.083 0.079 -2.767 1.00 . A A . 27 PRO HD3 1 1 14 7956 1 1 27 PRO HG2 H 6.640 1.622 -4.804 1.00 . A A . 27 PRO HG2 1 1 14 7957 1 1 27 PRO HG3 H 8.142 2.007 -3.945 1.00 . A A . 27 PRO HG3 1 1 14 7958 1 1 27 PRO N N 6.062 0.363 -2.188 1.00 . A A . 27 PRO N 1 1 14 7959 1 1 27 PRO O O 3.582 2.608 -3.594 1.00 . A A . 27 PRO O 1 1 14 7960 1 1 28 ASN C C 1.123 0.130 -3.396 1.00 . A A . 28 ASN C 1 1 14 7961 1 1 28 ASN CA C 2.362 0.259 -4.271 1.00 . A A . 28 ASN CA 1 1 14 7962 1 1 28 ASN CB C 2.458 -0.938 -5.219 1.00 . A A . 28 ASN CB 1 1 14 7963 1 1 28 ASN CG C 3.321 -0.656 -6.433 1.00 . A A . 28 ASN CG 1 1 14 7964 1 1 28 ASN H H 3.981 -0.434 -3.103 1.00 . A A . 28 ASN H 1 1 14 7965 1 1 28 ASN HA H 2.257 1.160 -4.871 1.00 . A A . 28 ASN HA 1 1 14 7966 1 1 28 ASN HB2 H 2.889 -1.774 -4.688 1.00 . A A . 28 ASN HB2 1 1 14 7967 1 1 28 ASN HB3 H 1.467 -1.215 -5.564 1.00 . A A . 28 ASN HB3 1 1 14 7968 1 1 28 ASN HD21 H 1.736 0.037 -7.429 1.00 . A A . 28 ASN HD21 1 1 14 7969 1 1 28 ASN HD22 H 3.240 0.053 -8.278 1.00 . A A . 28 ASN HD22 1 1 14 7970 1 1 28 ASN N N 3.570 0.382 -3.451 1.00 . A A . 28 ASN N 1 1 14 7971 1 1 28 ASN ND2 N 2.703 -0.138 -7.481 1.00 . A A . 28 ASN ND2 1 1 14 7972 1 1 28 ASN O O 1.153 -0.551 -2.368 1.00 . A A . 28 ASN O 1 1 14 7973 1 1 28 ASN OD1 O 4.528 -0.895 -6.426 1.00 . A A . 28 ASN OD1 1 1 14 7974 1 1 29 ALA C C -2.418 1.163 -3.865 1.00 . A A . 29 ALA C 1 1 14 7975 1 1 29 ALA CA C -1.200 0.783 -3.027 1.00 . A A . 29 ALA CA 1 1 14 7976 1 1 29 ALA CB C -1.077 1.746 -1.863 1.00 . A A . 29 ALA CB 1 1 14 7977 1 1 29 ALA H H 0.069 1.308 -4.642 1.00 . A A . 29 ALA H 1 1 14 7978 1 1 29 ALA HA H -1.347 -0.212 -2.620 1.00 . A A . 29 ALA HA 1 1 14 7979 1 1 29 ALA HB1 H -1.539 1.310 -0.993 1.00 . A A . 29 ALA HB1 1 1 14 7980 1 1 29 ALA HB2 H -1.566 2.687 -2.093 1.00 . A A . 29 ALA HB2 1 1 14 7981 1 1 29 ALA HB3 H -0.038 1.937 -1.667 1.00 . A A . 29 ALA HB3 1 1 14 7982 1 1 29 ALA N N 0.032 0.781 -3.809 1.00 . A A . 29 ALA N 1 1 14 7983 1 1 29 ALA O O -2.345 2.035 -4.735 1.00 . A A . 29 ALA O 1 1 14 7984 1 1 30 LYS C C -5.820 1.097 -3.038 1.00 . A A . 30 LYS C 1 1 14 7985 1 1 30 LYS CA C -4.822 0.863 -4.163 1.00 . A A . 30 LYS CA 1 1 14 7986 1 1 30 LYS CB C -5.336 -0.240 -5.093 1.00 . A A . 30 LYS CB 1 1 14 7987 1 1 30 LYS CD C -5.106 -1.376 -7.332 1.00 . A A . 30 LYS CD 1 1 14 7988 1 1 30 LYS CE C -5.679 -2.670 -6.776 1.00 . A A . 30 LYS CE 1 1 14 7989 1 1 30 LYS CG C -4.407 -0.552 -6.259 1.00 . A A . 30 LYS CG 1 1 14 7990 1 1 30 LYS H H -3.523 -0.169 -2.859 1.00 . A A . 30 LYS H 1 1 14 7991 1 1 30 LYS HA H -4.720 1.783 -4.730 1.00 . A A . 30 LYS HA 1 1 14 7992 1 1 30 LYS HB2 H -5.464 -1.145 -4.515 1.00 . A A . 30 LYS HB2 1 1 14 7993 1 1 30 LYS HB3 H -6.298 0.063 -5.490 1.00 . A A . 30 LYS HB3 1 1 14 7994 1 1 30 LYS HD2 H -5.911 -0.792 -7.752 1.00 . A A . 30 LYS HD2 1 1 14 7995 1 1 30 LYS HD3 H -4.392 -1.614 -8.108 1.00 . A A . 30 LYS HD3 1 1 14 7996 1 1 30 LYS HE2 H -4.874 -3.265 -6.371 1.00 . A A . 30 LYS HE2 1 1 14 7997 1 1 30 LYS HE3 H -6.388 -2.445 -5.994 1.00 . A A . 30 LYS HE3 1 1 14 7998 1 1 30 LYS HG2 H -4.067 0.374 -6.702 1.00 . A A . 30 LYS HG2 1 1 14 7999 1 1 30 LYS HG3 H -3.564 -1.100 -5.882 1.00 . A A . 30 LYS HG3 1 1 14 8000 1 1 30 LYS HZ1 H -6.758 -4.336 -7.414 1.00 . A A . 30 LYS HZ1 1 1 14 8001 1 1 30 LYS HZ2 H -5.720 -3.708 -8.592 1.00 . A A . 30 LYS HZ2 1 1 14 8002 1 1 30 LYS HZ3 H -7.168 -2.910 -8.225 1.00 . A A . 30 LYS HZ3 1 1 14 8003 1 1 30 LYS N N -3.537 0.512 -3.574 1.00 . A A . 30 LYS N 1 1 14 8004 1 1 30 LYS NZ N -6.379 -3.459 -7.825 1.00 . A A . 30 LYS NZ 1 1 14 8005 1 1 30 LYS O O -5.721 0.475 -1.982 1.00 . A A . 30 LYS O 1 1 14 8006 1 1 31 CYS C C -9.011 1.660 -2.244 1.00 . A A . 31 CYS C 1 1 14 8007 1 1 31 CYS CA C -7.665 2.365 -2.166 1.00 . A A . 31 CYS CA 1 1 14 8008 1 1 31 CYS CB C -7.885 3.874 -2.143 1.00 . A A . 31 CYS CB 1 1 14 8009 1 1 31 CYS H H -6.833 2.453 -4.112 1.00 . A A . 31 CYS H 1 1 14 8010 1 1 31 CYS HA H -7.191 2.090 -1.241 1.00 . A A . 31 CYS HA 1 1 14 8011 1 1 31 CYS HB2 H -6.923 4.368 -2.125 1.00 . A A . 31 CYS HB2 1 1 14 8012 1 1 31 CYS HB3 H -8.424 4.177 -3.029 1.00 . A A . 31 CYS HB3 1 1 14 8013 1 1 31 CYS N N -6.780 1.978 -3.249 1.00 . A A . 31 CYS N 1 1 14 8014 1 1 31 CYS O O -9.657 1.626 -3.294 1.00 . A A . 31 CYS O 1 1 14 8015 1 1 31 CYS SG S -8.821 4.422 -0.676 1.00 . A A . 31 CYS SG 1 1 14 8016 1 1 32 ILE C C -11.603 1.559 -0.209 1.00 . A A . 32 ILE C 1 1 14 8017 1 1 32 ILE CA C -10.745 0.534 -0.953 1.00 . A A . 32 ILE CA 1 1 14 8018 1 1 32 ILE CB C -10.696 -0.823 -0.182 1.00 . A A . 32 ILE CB 1 1 14 8019 1 1 32 ILE CD1 C -8.732 -1.826 -1.473 1.00 . A A . 32 ILE CD1 1 1 14 8020 1 1 32 ILE CG1 C -10.185 -1.952 -1.086 1.00 . A A . 32 ILE CG1 1 1 14 8021 1 1 32 ILE CG2 C -12.055 -1.203 0.385 1.00 . A A . 32 ILE CG2 1 1 14 8022 1 1 32 ILE H H -8.846 1.161 -0.315 1.00 . A A . 32 ILE H 1 1 14 8023 1 1 32 ILE HA H -11.186 0.360 -1.932 1.00 . A A . 32 ILE HA 1 1 14 8024 1 1 32 ILE HB H -10.017 -0.708 0.651 1.00 . A A . 32 ILE HB 1 1 14 8025 1 1 32 ILE HD11 H -8.154 -1.497 -0.626 1.00 . A A . 32 ILE HD11 1 1 14 8026 1 1 32 ILE HD12 H -8.635 -1.108 -2.274 1.00 . A A . 32 ILE HD12 1 1 14 8027 1 1 32 ILE HD13 H -8.366 -2.786 -1.807 1.00 . A A . 32 ILE HD13 1 1 14 8028 1 1 32 ILE HG12 H -10.295 -2.900 -0.575 1.00 . A A . 32 ILE HG12 1 1 14 8029 1 1 32 ILE HG13 H -10.770 -1.974 -1.996 1.00 . A A . 32 ILE HG13 1 1 14 8030 1 1 32 ILE HG21 H -12.796 -1.186 -0.401 1.00 . A A . 32 ILE HG21 1 1 14 8031 1 1 32 ILE HG22 H -12.332 -0.511 1.156 1.00 . A A . 32 ILE HG22 1 1 14 8032 1 1 32 ILE HG23 H -12.010 -2.198 0.810 1.00 . A A . 32 ILE HG23 1 1 14 8033 1 1 32 ILE N N -9.416 1.097 -1.116 1.00 . A A . 32 ILE N 1 1 14 8034 1 1 32 ILE O O -11.064 2.377 0.537 1.00 . A A . 32 ILE O 1 1 14 8035 1 1 33 ASN C C -13.968 2.506 1.637 1.00 . A A . 33 ASN C 1 1 14 8036 1 1 33 ASN CA C -13.874 2.505 0.100 1.00 . A A . 33 ASN CA 1 1 14 8037 1 1 33 ASN CB C -15.266 2.238 -0.491 1.00 . A A . 33 ASN CB 1 1 14 8038 1 1 33 ASN CG C -15.715 0.790 -0.330 1.00 . A A . 33 ASN CG 1 1 14 8039 1 1 33 ASN H H -13.245 0.843 -1.074 1.00 . A A . 33 ASN H 1 1 14 8040 1 1 33 ASN HA H -13.553 3.485 -0.222 1.00 . A A . 33 ASN HA 1 1 14 8041 1 1 33 ASN HB2 H -15.997 2.879 -0.016 1.00 . A A . 33 ASN HB2 1 1 14 8042 1 1 33 ASN HB3 H -15.237 2.468 -1.547 1.00 . A A . 33 ASN HB3 1 1 14 8043 1 1 33 ASN HD21 H -16.865 0.933 -1.955 1.00 . A A . 33 ASN HD21 1 1 14 8044 1 1 33 ASN HD22 H -16.866 -0.595 -1.149 1.00 . A A . 33 ASN HD22 1 1 14 8045 1 1 33 ASN N N -12.915 1.521 -0.440 1.00 . A A . 33 ASN N 1 1 14 8046 1 1 33 ASN ND2 N -16.565 0.334 -1.234 1.00 . A A . 33 ASN ND2 1 1 14 8047 1 1 33 ASN O O -15.061 2.398 2.200 1.00 . A A . 33 ASN O 1 1 14 8048 1 1 33 ASN OD1 O -15.300 0.086 0.595 1.00 . A A . 33 ASN OD1 1 1 14 8049 1 1 34 LYS C C -11.289 2.777 4.202 1.00 . A A . 34 LYS C 1 1 14 8050 1 1 34 LYS CA C -12.745 2.714 3.754 1.00 . A A . 34 LYS CA 1 1 14 8051 1 1 34 LYS CB C -13.431 1.503 4.401 1.00 . A A . 34 LYS CB 1 1 14 8052 1 1 34 LYS CD C -13.635 -0.999 4.597 1.00 . A A . 34 LYS CD 1 1 14 8053 1 1 34 LYS CE C -15.153 -0.897 4.539 1.00 . A A . 34 LYS CE 1 1 14 8054 1 1 34 LYS CG C -12.957 0.155 3.871 1.00 . A A . 34 LYS CG 1 1 14 8055 1 1 34 LYS H H -12.023 2.821 1.786 1.00 . A A . 34 LYS H 1 1 14 8056 1 1 34 LYS HA H -13.244 3.614 4.084 1.00 . A A . 34 LYS HA 1 1 14 8057 1 1 34 LYS HB2 H -13.255 1.531 5.471 1.00 . A A . 34 LYS HB2 1 1 14 8058 1 1 34 LYS HB3 H -14.485 1.594 4.230 1.00 . A A . 34 LYS HB3 1 1 14 8059 1 1 34 LYS HD2 H -13.331 -1.927 4.137 1.00 . A A . 34 LYS HD2 1 1 14 8060 1 1 34 LYS HD3 H -13.323 -0.991 5.631 1.00 . A A . 34 LYS HD3 1 1 14 8061 1 1 34 LYS HE2 H -15.563 -1.739 5.078 1.00 . A A . 34 LYS HE2 1 1 14 8062 1 1 34 LYS HE3 H -15.483 0.010 5.015 1.00 . A A . 34 LYS HE3 1 1 14 8063 1 1 34 LYS HG2 H -13.199 0.096 2.827 1.00 . A A . 34 LYS HG2 1 1 14 8064 1 1 34 LYS HG3 H -11.888 0.077 4.004 1.00 . A A . 34 LYS HG3 1 1 14 8065 1 1 34 LYS HZ1 H -15.379 -0.094 2.623 1.00 . A A . 34 LYS HZ1 1 1 14 8066 1 1 34 LYS HZ2 H -16.709 -0.987 3.155 1.00 . A A . 34 LYS HZ2 1 1 14 8067 1 1 34 LYS HZ3 H -15.308 -1.786 2.649 1.00 . A A . 34 LYS HZ3 1 1 14 8068 1 1 34 LYS N N -12.830 2.674 2.300 1.00 . A A . 34 LYS N 1 1 14 8069 1 1 34 LYS NZ N -15.670 -0.944 3.145 1.00 . A A . 34 LYS NZ 1 1 14 8070 1 1 34 LYS O O -10.982 3.307 5.272 1.00 . A A . 34 LYS O 1 1 14 8071 1 1 35 SER C C -8.128 2.002 2.479 1.00 . A A . 35 SER C 1 1 14 8072 1 1 35 SER CA C -8.978 2.184 3.729 1.00 . A A . 35 SER CA 1 1 14 8073 1 1 35 SER CB C -8.708 1.029 4.702 1.00 . A A . 35 SER CB 1 1 14 8074 1 1 35 SER H H -10.679 1.812 2.548 1.00 . A A . 35 SER H 1 1 14 8075 1 1 35 SER HA H -8.705 3.118 4.209 1.00 . A A . 35 SER HA 1 1 14 8076 1 1 35 SER HB2 H -9.005 0.096 4.245 1.00 . A A . 35 SER HB2 1 1 14 8077 1 1 35 SER HB3 H -7.652 0.993 4.938 1.00 . A A . 35 SER HB3 1 1 14 8078 1 1 35 SER HG H -9.136 0.539 6.547 1.00 . A A . 35 SER HG 1 1 14 8079 1 1 35 SER N N -10.393 2.239 3.384 1.00 . A A . 35 SER N 1 1 14 8080 1 1 35 SER O O -8.479 1.229 1.588 1.00 . A A . 35 SER O 1 1 14 8081 1 1 35 SER OG O -9.432 1.189 5.906 1.00 . A A . 35 SER OG 1 1 14 8082 1 1 36 CYS C C -5.223 1.314 1.626 1.00 . A A . 36 CYS C 1 1 14 8083 1 1 36 CYS CA C -6.070 2.543 1.327 1.00 . A A . 36 CYS CA 1 1 14 8084 1 1 36 CYS CB C -5.188 3.781 1.171 1.00 . A A . 36 CYS CB 1 1 14 8085 1 1 36 CYS H H -6.789 3.331 3.156 1.00 . A A . 36 CYS H 1 1 14 8086 1 1 36 CYS HA H -6.628 2.389 0.420 1.00 . A A . 36 CYS HA 1 1 14 8087 1 1 36 CYS HB2 H -5.806 4.658 1.259 1.00 . A A . 36 CYS HB2 1 1 14 8088 1 1 36 CYS HB3 H -4.437 3.801 1.950 1.00 . A A . 36 CYS HB3 1 1 14 8089 1 1 36 CYS N N -7.019 2.722 2.413 1.00 . A A . 36 CYS N 1 1 14 8090 1 1 36 CYS O O -4.588 1.231 2.678 1.00 . A A . 36 CYS O 1 1 14 8091 1 1 36 CYS SG S -4.332 3.889 -0.432 1.00 . A A . 36 CYS SG 1 1 14 8092 1 1 37 LYS C C -3.345 -1.085 0.159 1.00 . A A . 37 LYS C 1 1 14 8093 1 1 37 LYS CA C -4.636 -0.939 0.961 1.00 . A A . 37 LYS CA 1 1 14 8094 1 1 37 LYS CB C -5.648 -2.034 0.593 1.00 . A A . 37 LYS CB 1 1 14 8095 1 1 37 LYS CD C -4.393 -4.192 1.012 1.00 . A A . 37 LYS CD 1 1 14 8096 1 1 37 LYS CE C -4.566 -4.701 -0.412 1.00 . A A . 37 LYS CE 1 1 14 8097 1 1 37 LYS CG C -5.551 -3.302 1.435 1.00 . A A . 37 LYS CG 1 1 14 8098 1 1 37 LYS H H -5.770 0.482 -0.107 1.00 . A A . 37 LYS H 1 1 14 8099 1 1 37 LYS HA H -4.406 -1.022 2.020 1.00 . A A . 37 LYS HA 1 1 14 8100 1 1 37 LYS HB2 H -6.638 -1.633 0.763 1.00 . A A . 37 LYS HB2 1 1 14 8101 1 1 37 LYS HB3 H -5.566 -2.279 -0.452 1.00 . A A . 37 LYS HB3 1 1 14 8102 1 1 37 LYS HD2 H -3.479 -3.639 1.087 1.00 . A A . 37 LYS HD2 1 1 14 8103 1 1 37 LYS HD3 H -4.351 -5.041 1.679 1.00 . A A . 37 LYS HD3 1 1 14 8104 1 1 37 LYS HE2 H -5.506 -5.227 -0.489 1.00 . A A . 37 LYS HE2 1 1 14 8105 1 1 37 LYS HE3 H -4.565 -3.867 -1.093 1.00 . A A . 37 LYS HE3 1 1 14 8106 1 1 37 LYS HG2 H -5.415 -3.029 2.472 1.00 . A A . 37 LYS HG2 1 1 14 8107 1 1 37 LYS HG3 H -6.475 -3.855 1.333 1.00 . A A . 37 LYS HG3 1 1 14 8108 1 1 37 LYS HZ1 H -2.555 -5.132 -0.776 1.00 . A A . 37 LYS HZ1 1 1 14 8109 1 1 37 LYS HZ2 H -3.630 -5.973 -1.769 1.00 . A A . 37 LYS HZ2 1 1 14 8110 1 1 37 LYS HZ3 H -3.434 -6.439 -0.156 1.00 . A A . 37 LYS HZ3 1 1 14 8111 1 1 37 LYS N N -5.235 0.360 0.713 1.00 . A A . 37 LYS N 1 1 14 8112 1 1 37 LYS NZ N -3.470 -5.623 -0.803 1.00 . A A . 37 LYS NZ 1 1 14 8113 1 1 37 LYS O O -3.338 -0.925 -1.063 1.00 . A A . 37 LYS O 1 1 14 8114 1 1 38 CYS C C -0.860 -2.851 -0.525 1.00 . A A . 38 CYS C 1 1 14 8115 1 1 38 CYS CA C -0.960 -1.518 0.209 1.00 . A A . 38 CYS CA 1 1 14 8116 1 1 38 CYS CB C 0.151 -1.392 1.254 1.00 . A A . 38 CYS CB 1 1 14 8117 1 1 38 CYS H H -2.330 -1.530 1.825 1.00 . A A . 38 CYS H 1 1 14 8118 1 1 38 CYS HA H -0.853 -0.714 -0.510 1.00 . A A . 38 CYS HA 1 1 14 8119 1 1 38 CYS HB2 H 0.099 -2.231 1.935 1.00 . A A . 38 CYS HB2 1 1 14 8120 1 1 38 CYS HB3 H 1.109 -1.398 0.755 1.00 . A A . 38 CYS HB3 1 1 14 8121 1 1 38 CYS N N -2.261 -1.399 0.849 1.00 . A A . 38 CYS N 1 1 14 8122 1 1 38 CYS O O -1.565 -3.803 -0.201 1.00 . A A . 38 CYS O 1 1 14 8123 1 1 38 CYS SG S 0.059 0.131 2.256 1.00 . A A . 38 CYS SG 1 1 14 8124 1 1 39 TYR C C 0.766 -5.280 -1.805 1.00 . A A . 39 TYR C 1 1 14 8125 1 1 39 TYR CA C 0.087 -4.055 -2.420 1.00 . A A . 39 TYR CA 1 1 14 8126 1 1 39 TYR CB C 0.832 -3.644 -3.687 1.00 . A A . 39 TYR CB 1 1 14 8127 1 1 39 TYR CD1 C -0.958 -2.939 -5.315 1.00 . A A . 39 TYR CD1 1 1 14 8128 1 1 39 TYR CD2 C 0.276 -4.921 -5.790 1.00 . A A . 39 TYR CD2 1 1 14 8129 1 1 39 TYR CE1 C -1.691 -3.112 -6.472 1.00 . A A . 39 TYR CE1 1 1 14 8130 1 1 39 TYR CE2 C -0.452 -5.102 -6.949 1.00 . A A . 39 TYR CE2 1 1 14 8131 1 1 39 TYR CG C 0.037 -3.838 -4.955 1.00 . A A . 39 TYR CG 1 1 14 8132 1 1 39 TYR CZ C -1.435 -4.195 -7.286 1.00 . A A . 39 TYR CZ 1 1 14 8133 1 1 39 TYR H H 0.588 -2.129 -1.686 1.00 . A A . 39 TYR H 1 1 14 8134 1 1 39 TYR HA H -0.931 -4.325 -2.677 1.00 . A A . 39 TYR HA 1 1 14 8135 1 1 39 TYR HB2 H 1.089 -2.603 -3.629 1.00 . A A . 39 TYR HB2 1 1 14 8136 1 1 39 TYR HB3 H 1.753 -4.210 -3.780 1.00 . A A . 39 TYR HB3 1 1 14 8137 1 1 39 TYR HD1 H -1.159 -2.089 -4.678 1.00 . A A . 39 TYR HD1 1 1 14 8138 1 1 39 TYR HD2 H 1.047 -5.632 -5.527 1.00 . A A . 39 TYR HD2 1 1 14 8139 1 1 39 TYR HE1 H -2.452 -2.409 -6.742 1.00 . A A . 39 TYR HE1 1 1 14 8140 1 1 39 TYR HE2 H -0.251 -5.951 -7.585 1.00 . A A . 39 TYR HE2 1 1 14 8141 1 1 39 TYR HH H -1.711 -3.954 -9.175 1.00 . A A . 39 TYR HH 1 1 14 8142 1 1 39 TYR N N 0.036 -2.923 -1.498 1.00 . A A . 39 TYR N 1 1 14 8143 1 1 39 TYR O O 1.088 -6.235 -2.512 1.00 . A A . 39 TYR O 1 1 14 8144 1 1 39 TYR OH O -2.163 -4.377 -8.442 1.00 . A A . 39 TYR OH 1 1 14 8145 1 1 40 GLY C C 3.111 -6.380 -0.025 1.00 . A A . 40 GLY C 1 1 14 8146 1 1 40 GLY CA C 1.611 -6.372 0.178 1.00 . A A . 40 GLY CA 1 1 14 8147 1 1 40 GLY H H 0.706 -4.499 0.046 1.00 . A A . 40 GLY H 1 1 14 8148 1 1 40 GLY HA2 H 1.394 -6.300 1.235 1.00 . A A . 40 GLY HA2 1 1 14 8149 1 1 40 GLY HA3 H 1.202 -7.304 -0.194 1.00 . A A . 40 GLY HA3 1 1 14 8150 1 1 40 GLY N N 0.970 -5.257 -0.494 1.00 . A A . 40 GLY N 1 1 14 8151 1 1 40 GLY O O 3.598 -6.144 -1.132 1.00 . A A . 40 GLY O 1 1 14 8152 1 1 41 CYS C C 5.855 -7.268 2.260 1.00 . A A . 41 CYS C 1 1 14 8153 1 1 41 CYS CA C 5.293 -6.672 0.972 1.00 . A A . 41 CYS CA 1 1 14 8154 1 1 41 CYS CB C 5.830 -5.257 0.740 1.00 . A A . 41 CYS CB 1 1 14 8155 1 1 41 CYS H H 3.400 -6.815 1.905 1.00 . A A . 41 CYS H 1 1 14 8156 1 1 41 CYS HA H 5.580 -7.310 0.144 1.00 . A A . 41 CYS HA 1 1 14 8157 1 1 41 CYS HB2 H 5.182 -4.753 0.070 1.00 . A A . 41 CYS HB2 1 1 14 8158 1 1 41 CYS HB3 H 5.844 -4.725 1.644 1.00 . A A . 41 CYS HB3 1 1 14 8159 1 1 41 CYS N N 3.845 -6.641 1.040 1.00 . A A . 41 CYS N 1 1 14 8160 1 1 41 CYS O O 6.097 -6.510 3.221 1.00 . A A . 41 CYS O 1 1 14 8161 1 1 41 CYS OXT O 6.014 -8.506 2.317 1.00 . A A . 41 CYS OXT 1 1 14 8162 1 1 41 CYS SG S 7.523 -5.179 0.079 1.00 . A A . 41 CYS SG 1 1 15 8163 1 1 1 TRP C C 2.412 0.593 11.704 1.00 . A A . 1 TRP C 1 1 15 8164 1 1 1 TRP CA C 1.594 -0.656 12.025 1.00 . A A . 1 TRP CA 1 1 15 8165 1 1 1 TRP CB C 2.517 -1.877 12.194 1.00 . A A . 1 TRP CB 1 1 15 8166 1 1 1 TRP CD1 C 4.478 -1.770 10.538 1.00 . A A . 1 TRP CD1 1 1 15 8167 1 1 1 TRP CD2 C 2.886 -3.245 9.983 1.00 . A A . 1 TRP CD2 1 1 15 8168 1 1 1 TRP CE2 C 3.899 -3.285 9.005 1.00 . A A . 1 TRP CE2 1 1 15 8169 1 1 1 TRP CE3 C 1.782 -4.092 9.845 1.00 . A A . 1 TRP CE3 1 1 15 8170 1 1 1 TRP CG C 3.274 -2.265 10.955 1.00 . A A . 1 TRP CG 1 1 15 8171 1 1 1 TRP CH2 C 2.747 -4.952 7.796 1.00 . A A . 1 TRP CH2 1 1 15 8172 1 1 1 TRP CZ2 C 3.838 -4.135 7.905 1.00 . A A . 1 TRP CZ2 1 1 15 8173 1 1 1 TRP CZ3 C 1.724 -4.935 8.751 1.00 . A A . 1 TRP CZ3 1 1 15 8174 1 1 1 TRP H1 H 1.053 -0.867 10.044 1.00 . A A . 1 TRP H1 1 1 15 8175 1 1 1 TRP H2 H -0.155 -0.181 11.054 1.00 . A A . 1 TRP H2 1 1 15 8176 1 1 1 TRP H3 H 0.173 -1.853 11.132 1.00 . A A . 1 TRP H3 1 1 15 8177 1 1 1 TRP HA H 1.068 -0.487 12.954 1.00 . A A . 1 TRP HA 1 1 15 8178 1 1 1 TRP HB2 H 3.238 -1.671 12.974 1.00 . A A . 1 TRP HB2 1 1 15 8179 1 1 1 TRP HB3 H 1.915 -2.724 12.494 1.00 . A A . 1 TRP HB3 1 1 15 8180 1 1 1 TRP HD1 H 5.036 -1.008 11.062 1.00 . A A . 1 TRP HD1 1 1 15 8181 1 1 1 TRP HE1 H 5.681 -2.187 8.870 1.00 . A A . 1 TRP HE1 1 1 15 8182 1 1 1 TRP HE3 H 0.983 -4.093 10.572 1.00 . A A . 1 TRP HE3 1 1 15 8183 1 1 1 TRP HH2 H 2.659 -5.627 6.957 1.00 . A A . 1 TRP HH2 1 1 15 8184 1 1 1 TRP HZ2 H 4.618 -4.162 7.159 1.00 . A A . 1 TRP HZ2 1 1 15 8185 1 1 1 TRP HZ3 H 0.879 -5.596 8.627 1.00 . A A . 1 TRP HZ3 1 1 15 8186 1 1 1 TRP N N 0.583 -0.908 10.971 1.00 . A A . 1 TRP N 1 1 15 8187 1 1 1 TRP NE1 N 4.857 -2.375 9.366 1.00 . A A . 1 TRP NE1 1 1 15 8188 1 1 1 TRP O O 3.560 0.724 12.130 1.00 . A A . 1 TRP O 1 1 15 8189 1 1 2 CYS C C 2.286 3.840 11.600 1.00 . A A . 2 CYS C 1 1 15 8190 1 1 2 CYS CA C 2.499 2.739 10.564 1.00 . A A . 2 CYS CA 1 1 15 8191 1 1 2 CYS CB C 1.995 3.198 9.190 1.00 . A A . 2 CYS CB 1 1 15 8192 1 1 2 CYS H H 0.890 1.390 10.662 1.00 . A A . 2 CYS H 1 1 15 8193 1 1 2 CYS HA H 3.561 2.529 10.479 1.00 . A A . 2 CYS HA 1 1 15 8194 1 1 2 CYS HB2 H 2.157 2.400 8.485 1.00 . A A . 2 CYS HB2 1 1 15 8195 1 1 2 CYS HB3 H 0.943 3.388 9.253 1.00 . A A . 2 CYS HB3 1 1 15 8196 1 1 2 CYS N N 1.813 1.519 10.965 1.00 . A A . 2 CYS N 1 1 15 8197 1 1 2 CYS O O 1.190 4.391 11.720 1.00 . A A . 2 CYS O 1 1 15 8198 1 1 2 CYS SG S 2.834 4.676 8.546 1.00 . A A . 2 CYS SG 1 1 15 8199 1 1 3 SER C C 3.119 6.569 12.872 1.00 . A A . 3 SER C 1 1 15 8200 1 1 3 SER CA C 3.247 5.144 13.415 1.00 . A A . 3 SER CA 1 1 15 8201 1 1 3 SER CB C 4.470 5.025 14.319 1.00 . A A . 3 SER CB 1 1 15 8202 1 1 3 SER H H 4.191 3.689 12.195 1.00 . A A . 3 SER H 1 1 15 8203 1 1 3 SER HA H 2.366 4.922 14.004 1.00 . A A . 3 SER HA 1 1 15 8204 1 1 3 SER HB2 H 5.359 5.298 13.766 1.00 . A A . 3 SER HB2 1 1 15 8205 1 1 3 SER HB3 H 4.357 5.681 15.171 1.00 . A A . 3 SER HB3 1 1 15 8206 1 1 3 SER HG H 4.034 3.546 15.534 1.00 . A A . 3 SER HG 1 1 15 8207 1 1 3 SER N N 3.336 4.161 12.342 1.00 . A A . 3 SER N 1 1 15 8208 1 1 3 SER O O 2.648 7.464 13.572 1.00 . A A . 3 SER O 1 1 15 8209 1 1 3 SER OG O 4.614 3.692 14.782 1.00 . A A . 3 SER OG 1 1 15 8210 1 1 4 THR C C 2.180 8.175 10.119 1.00 . A A . 4 THR C 1 1 15 8211 1 1 4 THR CA C 3.421 8.093 11.006 1.00 . A A . 4 THR CA 1 1 15 8212 1 1 4 THR CB C 4.687 8.435 10.183 1.00 . A A . 4 THR CB 1 1 15 8213 1 1 4 THR CG2 C 4.910 7.432 9.062 1.00 . A A . 4 THR CG2 1 1 15 8214 1 1 4 THR H H 3.879 6.034 11.097 1.00 . A A . 4 THR H 1 1 15 8215 1 1 4 THR HA H 3.321 8.840 11.786 1.00 . A A . 4 THR HA 1 1 15 8216 1 1 4 THR HB H 5.549 8.406 10.835 1.00 . A A . 4 THR HB 1 1 15 8217 1 1 4 THR HG1 H 4.784 10.406 10.306 1.00 . A A . 4 THR HG1 1 1 15 8218 1 1 4 THR HG21 H 5.791 7.715 8.506 1.00 . A A . 4 THR HG21 1 1 15 8219 1 1 4 THR HG22 H 4.061 7.423 8.396 1.00 . A A . 4 THR HG22 1 1 15 8220 1 1 4 THR HG23 H 5.055 6.447 9.475 1.00 . A A . 4 THR HG23 1 1 15 8221 1 1 4 THR N N 3.522 6.776 11.624 1.00 . A A . 4 THR N 1 1 15 8222 1 1 4 THR O O 2.010 9.118 9.343 1.00 . A A . 4 THR O 1 1 15 8223 1 1 4 THR OG1 O 4.581 9.755 9.629 1.00 . A A . 4 THR OG1 1 1 15 8224 1 1 5 CYS C C -1.135 7.278 10.355 1.00 . A A . 5 CYS C 1 1 15 8225 1 1 5 CYS CA C 0.088 7.146 9.457 1.00 . A A . 5 CYS CA 1 1 15 8226 1 1 5 CYS CB C 0.017 5.839 8.662 1.00 . A A . 5 CYS CB 1 1 15 8227 1 1 5 CYS H H 1.460 6.461 10.880 1.00 . A A . 5 CYS H 1 1 15 8228 1 1 5 CYS HA H 0.088 7.969 8.749 1.00 . A A . 5 CYS HA 1 1 15 8229 1 1 5 CYS HB2 H 0.016 5.017 9.348 1.00 . A A . 5 CYS HB2 1 1 15 8230 1 1 5 CYS HB3 H -0.905 5.821 8.095 1.00 . A A . 5 CYS HB3 1 1 15 8231 1 1 5 CYS N N 1.307 7.190 10.249 1.00 . A A . 5 CYS N 1 1 15 8232 1 1 5 CYS O O -1.534 6.322 11.022 1.00 . A A . 5 CYS O 1 1 15 8233 1 1 5 CYS SG S 1.386 5.615 7.477 1.00 . A A . 5 CYS SG 1 1 15 8234 1 1 6 LEU C C -4.141 8.256 10.438 1.00 . A A . 6 LEU C 1 1 15 8235 1 1 6 LEU CA C -2.898 8.722 11.193 1.00 . A A . 6 LEU CA 1 1 15 8236 1 1 6 LEU CB C -2.984 10.220 11.531 1.00 . A A . 6 LEU CB 1 1 15 8237 1 1 6 LEU CD1 C -3.601 12.043 13.130 1.00 . A A . 6 LEU CD1 1 1 15 8238 1 1 6 LEU CD2 C -5.334 10.387 12.454 1.00 . A A . 6 LEU CD2 1 1 15 8239 1 1 6 LEU CG C -3.852 10.595 12.742 1.00 . A A . 6 LEU CG 1 1 15 8240 1 1 6 LEU H H -1.353 9.201 9.827 1.00 . A A . 6 LEU H 1 1 15 8241 1 1 6 LEU HA H -2.815 8.155 12.115 1.00 . A A . 6 LEU HA 1 1 15 8242 1 1 6 LEU HB2 H -1.974 10.560 11.731 1.00 . A A . 6 LEU HB2 1 1 15 8243 1 1 6 LEU HB3 H -3.347 10.763 10.669 1.00 . A A . 6 LEU HB3 1 1 15 8244 1 1 6 LEU HD11 H -2.554 12.180 13.363 1.00 . A A . 6 LEU HD11 1 1 15 8245 1 1 6 LEU HD12 H -4.192 12.294 14.000 1.00 . A A . 6 LEU HD12 1 1 15 8246 1 1 6 LEU HD13 H -3.874 12.695 12.311 1.00 . A A . 6 LEU HD13 1 1 15 8247 1 1 6 LEU HD21 H -5.929 10.838 13.238 1.00 . A A . 6 LEU HD21 1 1 15 8248 1 1 6 LEU HD22 H -5.550 9.332 12.421 1.00 . A A . 6 LEU HD22 1 1 15 8249 1 1 6 LEU HD23 H -5.593 10.839 11.506 1.00 . A A . 6 LEU HD23 1 1 15 8250 1 1 6 LEU HG H -3.579 9.971 13.581 1.00 . A A . 6 LEU HG 1 1 15 8251 1 1 6 LEU N N -1.720 8.469 10.379 1.00 . A A . 6 LEU N 1 1 15 8252 1 1 6 LEU O O -4.860 7.362 10.891 1.00 . A A . 6 LEU O 1 1 15 8253 1 1 7 ASP C C -5.088 8.618 6.965 1.00 . A A . 7 ASP C 1 1 15 8254 1 1 7 ASP CA C -5.486 8.461 8.421 1.00 . A A . 7 ASP CA 1 1 15 8255 1 1 7 ASP CB C -6.731 9.303 8.702 1.00 . A A . 7 ASP CB 1 1 15 8256 1 1 7 ASP CG C -7.926 8.853 7.882 1.00 . A A . 7 ASP CG 1 1 15 8257 1 1 7 ASP H H -3.760 9.557 8.964 1.00 . A A . 7 ASP H 1 1 15 8258 1 1 7 ASP HA H -5.717 7.416 8.611 1.00 . A A . 7 ASP HA 1 1 15 8259 1 1 7 ASP HB2 H -6.985 9.216 9.748 1.00 . A A . 7 ASP HB2 1 1 15 8260 1 1 7 ASP HB3 H -6.527 10.340 8.472 1.00 . A A . 7 ASP HB3 1 1 15 8261 1 1 7 ASP N N -4.377 8.855 9.280 1.00 . A A . 7 ASP N 1 1 15 8262 1 1 7 ASP O O -4.540 9.647 6.570 1.00 . A A . 7 ASP O 1 1 15 8263 1 1 7 ASP OD1 O -8.034 9.246 6.699 1.00 . A A . 7 ASP OD1 1 1 15 8264 1 1 7 ASP OD2 O -8.763 8.101 8.416 1.00 . A A . 7 ASP OD2 1 1 15 8265 1 1 8 LEU C C -6.196 7.223 3.914 1.00 . A A . 8 LEU C 1 1 15 8266 1 1 8 LEU CA C -5.009 7.638 4.758 1.00 . A A . 8 LEU CA 1 1 15 8267 1 1 8 LEU CB C -3.816 6.722 4.466 1.00 . A A . 8 LEU CB 1 1 15 8268 1 1 8 LEU CD1 C -1.503 5.947 5.019 1.00 . A A . 8 LEU CD1 1 1 15 8269 1 1 8 LEU CD2 C -1.972 8.390 4.805 1.00 . A A . 8 LEU CD2 1 1 15 8270 1 1 8 LEU CG C -2.533 7.043 5.236 1.00 . A A . 8 LEU CG 1 1 15 8271 1 1 8 LEU H H -5.776 6.785 6.537 1.00 . A A . 8 LEU H 1 1 15 8272 1 1 8 LEU HA H -4.745 8.648 4.479 1.00 . A A . 8 LEU HA 1 1 15 8273 1 1 8 LEU HB2 H -4.112 5.707 4.709 1.00 . A A . 8 LEU HB2 1 1 15 8274 1 1 8 LEU HB3 H -3.597 6.767 3.405 1.00 . A A . 8 LEU HB3 1 1 15 8275 1 1 8 LEU HD11 H -1.299 5.841 3.963 1.00 . A A . 8 LEU HD11 1 1 15 8276 1 1 8 LEU HD12 H -1.880 5.012 5.408 1.00 . A A . 8 LEU HD12 1 1 15 8277 1 1 8 LEU HD13 H -0.594 6.203 5.530 1.00 . A A . 8 LEU HD13 1 1 15 8278 1 1 8 LEU HD21 H -1.070 8.603 5.363 1.00 . A A . 8 LEU HD21 1 1 15 8279 1 1 8 LEU HD22 H -2.698 9.165 4.998 1.00 . A A . 8 LEU HD22 1 1 15 8280 1 1 8 LEU HD23 H -1.743 8.370 3.748 1.00 . A A . 8 LEU HD23 1 1 15 8281 1 1 8 LEU HG H -2.755 7.091 6.292 1.00 . A A . 8 LEU HG 1 1 15 8282 1 1 8 LEU N N -5.350 7.597 6.172 1.00 . A A . 8 LEU N 1 1 15 8283 1 1 8 LEU O O -6.043 6.893 2.735 1.00 . A A . 8 LEU O 1 1 15 8284 1 1 9 ALA C C -8.917 7.435 2.588 1.00 . A A . 9 ALA C 1 1 15 8285 1 1 9 ALA CA C -8.612 6.788 3.934 1.00 . A A . 9 ALA CA 1 1 15 8286 1 1 9 ALA CB C -9.759 6.997 4.903 1.00 . A A . 9 ALA CB 1 1 15 8287 1 1 9 ALA H H -7.418 7.639 5.443 1.00 . A A . 9 ALA H 1 1 15 8288 1 1 9 ALA HA H -8.490 5.721 3.793 1.00 . A A . 9 ALA HA 1 1 15 8289 1 1 9 ALA HB1 H -9.917 8.055 5.057 1.00 . A A . 9 ALA HB1 1 1 15 8290 1 1 9 ALA HB2 H -9.519 6.530 5.847 1.00 . A A . 9 ALA HB2 1 1 15 8291 1 1 9 ALA HB3 H -10.659 6.552 4.503 1.00 . A A . 9 ALA HB3 1 1 15 8292 1 1 9 ALA N N -7.375 7.310 4.519 1.00 . A A . 9 ALA N 1 1 15 8293 1 1 9 ALA O O -9.702 8.378 2.497 1.00 . A A . 9 ALA O 1 1 15 8294 1 1 10 CYS C C -7.966 8.914 0.195 1.00 . A A . 10 CYS C 1 1 15 8295 1 1 10 CYS CA C -8.360 7.447 0.209 1.00 . A A . 10 CYS CA 1 1 15 8296 1 1 10 CYS CB C -9.747 7.221 -0.392 1.00 . A A . 10 CYS CB 1 1 15 8297 1 1 10 CYS H H -7.645 6.176 1.722 1.00 . A A . 10 CYS H 1 1 15 8298 1 1 10 CYS HA H -7.621 6.942 -0.393 1.00 . A A . 10 CYS HA 1 1 15 8299 1 1 10 CYS HB2 H -10.502 7.446 0.345 1.00 . A A . 10 CYS HB2 1 1 15 8300 1 1 10 CYS HB3 H -9.887 7.864 -1.252 1.00 . A A . 10 CYS HB3 1 1 15 8301 1 1 10 CYS N N -8.274 6.910 1.555 1.00 . A A . 10 CYS N 1 1 15 8302 1 1 10 CYS O O -8.633 9.755 -0.407 1.00 . A A . 10 CYS O 1 1 15 8303 1 1 10 CYS SG S -10.014 5.507 -0.957 1.00 . A A . 10 CYS SG 1 1 15 8304 1 1 11 THR C C -5.549 10.787 -0.463 1.00 . A A . 11 THR C 1 1 15 8305 1 1 11 THR CA C -6.280 10.540 0.857 1.00 . A A . 11 THR CA 1 1 15 8306 1 1 11 THR CB C -5.310 10.718 2.055 1.00 . A A . 11 THR CB 1 1 15 8307 1 1 11 THR CG2 C -4.182 9.697 2.004 1.00 . A A . 11 THR CG2 1 1 15 8308 1 1 11 THR H H -6.351 8.469 1.279 1.00 . A A . 11 THR H 1 1 15 8309 1 1 11 THR HA H -7.088 11.257 0.950 1.00 . A A . 11 THR HA 1 1 15 8310 1 1 11 THR HB H -5.856 10.565 2.975 1.00 . A A . 11 THR HB 1 1 15 8311 1 1 11 THR HG1 H -5.397 12.656 2.422 1.00 . A A . 11 THR HG1 1 1 15 8312 1 1 11 THR HG21 H -4.560 8.724 2.255 1.00 . A A . 11 THR HG21 1 1 15 8313 1 1 11 THR HG22 H -3.426 9.974 2.723 1.00 . A A . 11 THR HG22 1 1 15 8314 1 1 11 THR HG23 H -3.737 9.667 1.025 1.00 . A A . 11 THR HG23 1 1 15 8315 1 1 11 THR N N -6.844 9.199 0.846 1.00 . A A . 11 THR N 1 1 15 8316 1 1 11 THR O O -5.086 11.892 -0.756 1.00 . A A . 11 THR O 1 1 15 8317 1 1 11 THR OG1 O -4.750 12.037 2.074 1.00 . A A . 11 THR OG1 1 1 15 8318 1 1 12 GLY C C -3.915 8.575 -2.693 1.00 . A A . 12 GLY C 1 1 15 8319 1 1 12 GLY CA C -4.806 9.781 -2.537 1.00 . A A . 12 GLY CA 1 1 15 8320 1 1 12 GLY H H -5.881 8.886 -1.005 1.00 . A A . 12 GLY H 1 1 15 8321 1 1 12 GLY HA2 H -5.543 9.790 -3.329 1.00 . A A . 12 GLY HA2 1 1 15 8322 1 1 12 GLY HA3 H -4.196 10.673 -2.615 1.00 . A A . 12 GLY HA3 1 1 15 8323 1 1 12 GLY N N -5.489 9.737 -1.268 1.00 . A A . 12 GLY N 1 1 15 8324 1 1 12 GLY O O -3.257 8.171 -1.738 1.00 . A A . 12 GLY O 1 1 15 8325 1 1 13 SER C C -1.596 7.164 -3.982 1.00 . A A . 13 SER C 1 1 15 8326 1 1 13 SER CA C -3.074 6.806 -4.101 1.00 . A A . 13 SER CA 1 1 15 8327 1 1 13 SER CB C -3.397 6.194 -5.466 1.00 . A A . 13 SER CB 1 1 15 8328 1 1 13 SER H H -4.447 8.341 -4.609 1.00 . A A . 13 SER H 1 1 15 8329 1 1 13 SER HA H -3.312 6.078 -3.334 1.00 . A A . 13 SER HA 1 1 15 8330 1 1 13 SER HB2 H -2.598 5.534 -5.780 1.00 . A A . 13 SER HB2 1 1 15 8331 1 1 13 SER HB3 H -4.315 5.629 -5.390 1.00 . A A . 13 SER HB3 1 1 15 8332 1 1 13 SER HG H -2.714 7.490 -6.768 1.00 . A A . 13 SER HG 1 1 15 8333 1 1 13 SER N N -3.892 7.983 -3.874 1.00 . A A . 13 SER N 1 1 15 8334 1 1 13 SER O O -0.842 6.504 -3.263 1.00 . A A . 13 SER O 1 1 15 8335 1 1 13 SER OG O -3.571 7.204 -6.443 1.00 . A A . 13 SER OG 1 1 15 8336 1 1 14 LYS C C 0.477 9.288 -3.183 1.00 . A A . 14 LYS C 1 1 15 8337 1 1 14 LYS CA C 0.183 8.708 -4.565 1.00 . A A . 14 LYS CA 1 1 15 8338 1 1 14 LYS CB C 0.470 9.740 -5.660 1.00 . A A . 14 LYS CB 1 1 15 8339 1 1 14 LYS CD C -0.018 11.980 -6.665 1.00 . A A . 14 LYS CD 1 1 15 8340 1 1 14 LYS CE C -0.818 13.267 -6.557 1.00 . A A . 14 LYS CE 1 1 15 8341 1 1 14 LYS CG C -0.383 10.993 -5.570 1.00 . A A . 14 LYS CG 1 1 15 8342 1 1 14 LYS H H -1.850 8.760 -5.165 1.00 . A A . 14 LYS H 1 1 15 8343 1 1 14 LYS HA H 0.814 7.878 -4.708 1.00 . A A . 14 LYS HA 1 1 15 8344 1 1 14 LYS HB2 H 1.512 10.028 -5.601 1.00 . A A . 14 LYS HB2 1 1 15 8345 1 1 14 LYS HB3 H 0.292 9.276 -6.621 1.00 . A A . 14 LYS HB3 1 1 15 8346 1 1 14 LYS HD2 H 1.033 12.222 -6.589 1.00 . A A . 14 LYS HD2 1 1 15 8347 1 1 14 LYS HD3 H -0.216 11.527 -7.627 1.00 . A A . 14 LYS HD3 1 1 15 8348 1 1 14 LYS HE2 H -1.864 13.042 -6.704 1.00 . A A . 14 LYS HE2 1 1 15 8349 1 1 14 LYS HE3 H -0.675 13.692 -5.573 1.00 . A A . 14 LYS HE3 1 1 15 8350 1 1 14 LYS HG2 H -1.422 10.725 -5.676 1.00 . A A . 14 LYS HG2 1 1 15 8351 1 1 14 LYS HG3 H -0.225 11.462 -4.609 1.00 . A A . 14 LYS HG3 1 1 15 8352 1 1 14 LYS HZ1 H -0.527 13.878 -8.535 1.00 . A A . 14 LYS HZ1 1 1 15 8353 1 1 14 LYS HZ2 H 0.617 14.497 -7.449 1.00 . A A . 14 LYS HZ2 1 1 15 8354 1 1 14 LYS HZ3 H -0.950 15.129 -7.479 1.00 . A A . 14 LYS HZ3 1 1 15 8355 1 1 14 LYS N N -1.195 8.248 -4.639 1.00 . A A . 14 LYS N 1 1 15 8356 1 1 14 LYS NZ N -0.389 14.259 -7.575 1.00 . A A . 14 LYS NZ 1 1 15 8357 1 1 14 LYS O O 1.626 9.328 -2.746 1.00 . A A . 14 LYS O 1 1 15 8358 1 1 15 ASP C C -0.232 9.103 -0.158 1.00 . A A . 15 ASP C 1 1 15 8359 1 1 15 ASP CA C -0.432 10.248 -1.138 1.00 . A A . 15 ASP CA 1 1 15 8360 1 1 15 ASP CB C -1.674 11.052 -0.733 1.00 . A A . 15 ASP CB 1 1 15 8361 1 1 15 ASP CG C -1.420 11.958 0.459 1.00 . A A . 15 ASP CG 1 1 15 8362 1 1 15 ASP H H -1.472 9.664 -2.878 1.00 . A A . 15 ASP H 1 1 15 8363 1 1 15 ASP HA H 0.440 10.894 -1.111 1.00 . A A . 15 ASP HA 1 1 15 8364 1 1 15 ASP HB2 H -1.971 11.675 -1.565 1.00 . A A . 15 ASP HB2 1 1 15 8365 1 1 15 ASP HB3 H -2.485 10.382 -0.495 1.00 . A A . 15 ASP HB3 1 1 15 8366 1 1 15 ASP N N -0.575 9.719 -2.492 1.00 . A A . 15 ASP N 1 1 15 8367 1 1 15 ASP O O 0.420 9.256 0.874 1.00 . A A . 15 ASP O 1 1 15 8368 1 1 15 ASP OD1 O -0.458 12.752 0.415 1.00 . A A . 15 ASP OD1 1 1 15 8369 1 1 15 ASP OD2 O -2.177 11.885 1.446 1.00 . A A . 15 ASP OD2 1 1 15 8370 1 1 16 CYS C C 0.500 5.928 0.056 1.00 . A A . 16 CYS C 1 1 15 8371 1 1 16 CYS CA C -0.741 6.778 0.356 1.00 . A A . 16 CYS CA 1 1 15 8372 1 1 16 CYS CB C -2.023 5.954 0.175 1.00 . A A . 16 CYS CB 1 1 15 8373 1 1 16 CYS H H -1.296 7.886 -1.345 1.00 . A A . 16 CYS H 1 1 15 8374 1 1 16 CYS HA H -0.687 7.109 1.388 1.00 . A A . 16 CYS HA 1 1 15 8375 1 1 16 CYS HB2 H -2.872 6.621 0.213 1.00 . A A . 16 CYS HB2 1 1 15 8376 1 1 16 CYS HB3 H -2.005 5.468 -0.792 1.00 . A A . 16 CYS HB3 1 1 15 8377 1 1 16 CYS N N -0.792 7.952 -0.503 1.00 . A A . 16 CYS N 1 1 15 8378 1 1 16 CYS O O 0.947 5.155 0.906 1.00 . A A . 16 CYS O 1 1 15 8379 1 1 16 CYS SG S -2.290 4.668 1.438 1.00 . A A . 16 CYS SG 1 1 15 8380 1 1 17 TYR C C 3.395 5.488 -0.551 1.00 . A A . 17 TYR C 1 1 15 8381 1 1 17 TYR CA C 2.258 5.341 -1.558 1.00 . A A . 17 TYR CA 1 1 15 8382 1 1 17 TYR CB C 2.753 5.804 -2.931 1.00 . A A . 17 TYR CB 1 1 15 8383 1 1 17 TYR CD1 C 1.284 4.063 -4.023 1.00 . A A . 17 TYR CD1 1 1 15 8384 1 1 17 TYR CD2 C 1.863 6.001 -5.278 1.00 . A A . 17 TYR CD2 1 1 15 8385 1 1 17 TYR CE1 C 0.561 3.580 -5.094 1.00 . A A . 17 TYR CE1 1 1 15 8386 1 1 17 TYR CE2 C 1.138 5.527 -6.351 1.00 . A A . 17 TYR CE2 1 1 15 8387 1 1 17 TYR CG C 1.945 5.281 -4.095 1.00 . A A . 17 TYR CG 1 1 15 8388 1 1 17 TYR CZ C 0.491 4.316 -6.256 1.00 . A A . 17 TYR CZ 1 1 15 8389 1 1 17 TYR H H 0.656 6.710 -1.794 1.00 . A A . 17 TYR H 1 1 15 8390 1 1 17 TYR HA H 2.004 4.300 -1.590 1.00 . A A . 17 TYR HA 1 1 15 8391 1 1 17 TYR HB2 H 2.727 6.884 -2.961 1.00 . A A . 17 TYR HB2 1 1 15 8392 1 1 17 TYR HB3 H 3.777 5.476 -3.078 1.00 . A A . 17 TYR HB3 1 1 15 8393 1 1 17 TYR HD1 H 1.332 3.479 -3.125 1.00 . A A . 17 TYR HD1 1 1 15 8394 1 1 17 TYR HD2 H 2.384 6.945 -5.361 1.00 . A A . 17 TYR HD2 1 1 15 8395 1 1 17 TYR HE1 H 0.049 2.636 -5.029 1.00 . A A . 17 TYR HE1 1 1 15 8396 1 1 17 TYR HE2 H 1.084 6.104 -7.262 1.00 . A A . 17 TYR HE2 1 1 15 8397 1 1 17 TYR HH H 0.356 3.352 -7.914 1.00 . A A . 17 TYR HH 1 1 15 8398 1 1 17 TYR N N 1.054 6.080 -1.152 1.00 . A A . 17 TYR N 1 1 15 8399 1 1 17 TYR O O 3.909 4.494 -0.040 1.00 . A A . 17 TYR O 1 1 15 8400 1 1 17 TYR OH O -0.228 3.839 -7.328 1.00 . A A . 17 TYR OH 1 1 15 8401 1 1 18 ALA C C 4.739 6.360 1.988 1.00 . A A . 18 ALA C 1 1 15 8402 1 1 18 ALA CA C 4.922 6.998 0.601 1.00 . A A . 18 ALA CA 1 1 15 8403 1 1 18 ALA CB C 5.171 8.498 0.708 1.00 . A A . 18 ALA CB 1 1 15 8404 1 1 18 ALA H H 3.342 7.483 -0.736 1.00 . A A . 18 ALA H 1 1 15 8405 1 1 18 ALA HA H 5.800 6.558 0.143 1.00 . A A . 18 ALA HA 1 1 15 8406 1 1 18 ALA HB1 H 5.509 8.759 1.703 1.00 . A A . 18 ALA HB1 1 1 15 8407 1 1 18 ALA HB2 H 4.266 9.044 0.484 1.00 . A A . 18 ALA HB2 1 1 15 8408 1 1 18 ALA HB3 H 5.933 8.777 -0.004 1.00 . A A . 18 ALA HB3 1 1 15 8409 1 1 18 ALA N N 3.790 6.728 -0.283 1.00 . A A . 18 ALA N 1 1 15 8410 1 1 18 ALA O O 5.613 5.616 2.435 1.00 . A A . 18 ALA O 1 1 15 8411 1 1 19 PRO C C 3.370 4.474 3.925 1.00 . A A . 19 PRO C 1 1 15 8412 1 1 19 PRO CA C 3.332 6.001 3.992 1.00 . A A . 19 PRO CA 1 1 15 8413 1 1 19 PRO CB C 1.921 6.486 4.325 1.00 . A A . 19 PRO CB 1 1 15 8414 1 1 19 PRO CD C 2.564 7.602 2.330 1.00 . A A . 19 PRO CD 1 1 15 8415 1 1 19 PRO CG C 1.790 7.777 3.603 1.00 . A A . 19 PRO CG 1 1 15 8416 1 1 19 PRO HA H 4.019 6.340 4.753 1.00 . A A . 19 PRO HA 1 1 15 8417 1 1 19 PRO HB2 H 1.172 5.776 4.002 1.00 . A A . 19 PRO HB2 1 1 15 8418 1 1 19 PRO HB3 H 1.846 6.647 5.366 1.00 . A A . 19 PRO HB3 1 1 15 8419 1 1 19 PRO HD2 H 1.940 7.229 1.557 1.00 . A A . 19 PRO HD2 1 1 15 8420 1 1 19 PRO HD3 H 2.986 8.544 2.047 1.00 . A A . 19 PRO HD3 1 1 15 8421 1 1 19 PRO HG2 H 0.750 7.976 3.388 1.00 . A A . 19 PRO HG2 1 1 15 8422 1 1 19 PRO HG3 H 2.214 8.575 4.194 1.00 . A A . 19 PRO HG3 1 1 15 8423 1 1 19 PRO N N 3.617 6.633 2.697 1.00 . A A . 19 PRO N 1 1 15 8424 1 1 19 PRO O O 3.953 3.824 4.792 1.00 . A A . 19 PRO O 1 1 15 8425 1 1 20 CYS C C 4.180 1.931 2.540 1.00 . A A . 20 CYS C 1 1 15 8426 1 1 20 CYS CA C 2.757 2.459 2.711 1.00 . A A . 20 CYS CA 1 1 15 8427 1 1 20 CYS CB C 1.903 2.073 1.503 1.00 . A A . 20 CYS CB 1 1 15 8428 1 1 20 CYS H H 2.317 4.475 2.217 1.00 . A A . 20 CYS H 1 1 15 8429 1 1 20 CYS HA H 2.326 2.012 3.598 1.00 . A A . 20 CYS HA 1 1 15 8430 1 1 20 CYS HB2 H 0.884 2.380 1.680 1.00 . A A . 20 CYS HB2 1 1 15 8431 1 1 20 CYS HB3 H 2.278 2.592 0.632 1.00 . A A . 20 CYS HB3 1 1 15 8432 1 1 20 CYS N N 2.762 3.906 2.890 1.00 . A A . 20 CYS N 1 1 15 8433 1 1 20 CYS O O 4.544 0.899 3.115 1.00 . A A . 20 CYS O 1 1 15 8434 1 1 20 CYS SG S 1.907 0.288 1.126 1.00 . A A . 20 CYS SG 1 1 15 8435 1 1 21 ARG C C 7.148 2.331 2.861 1.00 . A A . 21 ARG C 1 1 15 8436 1 1 21 ARG CA C 6.375 2.269 1.549 1.00 . A A . 21 ARG CA 1 1 15 8437 1 1 21 ARG CB C 7.041 3.177 0.511 1.00 . A A . 21 ARG CB 1 1 15 8438 1 1 21 ARG CD C 9.113 3.672 -0.825 1.00 . A A . 21 ARG CD 1 1 15 8439 1 1 21 ARG CG C 8.361 2.630 -0.013 1.00 . A A . 21 ARG CG 1 1 15 8440 1 1 21 ARG CZ C 10.091 5.910 -0.440 1.00 . A A . 21 ARG CZ 1 1 15 8441 1 1 21 ARG H H 4.650 3.478 1.346 1.00 . A A . 21 ARG H 1 1 15 8442 1 1 21 ARG HA H 6.386 1.247 1.186 1.00 . A A . 21 ARG HA 1 1 15 8443 1 1 21 ARG HB2 H 6.369 3.290 -0.329 1.00 . A A . 21 ARG HB2 1 1 15 8444 1 1 21 ARG HB3 H 7.216 4.153 0.951 1.00 . A A . 21 ARG HB3 1 1 15 8445 1 1 21 ARG HD2 H 9.934 3.185 -1.332 1.00 . A A . 21 ARG HD2 1 1 15 8446 1 1 21 ARG HD3 H 8.439 4.095 -1.559 1.00 . A A . 21 ARG HD3 1 1 15 8447 1 1 21 ARG HE H 9.691 4.575 0.991 1.00 . A A . 21 ARG HE 1 1 15 8448 1 1 21 ARG HG2 H 8.982 2.329 0.819 1.00 . A A . 21 ARG HG2 1 1 15 8449 1 1 21 ARG HG3 H 8.160 1.775 -0.642 1.00 . A A . 21 ARG HG3 1 1 15 8450 1 1 21 ARG HH11 H 9.711 5.524 -2.402 1.00 . A A . 21 ARG HH11 1 1 15 8451 1 1 21 ARG HH12 H 10.396 7.069 -2.068 1.00 . A A . 21 ARG HH12 1 1 15 8452 1 1 21 ARG HH21 H 10.613 6.613 1.386 1.00 . A A . 21 ARG HH21 1 1 15 8453 1 1 21 ARG HH22 H 10.913 7.691 0.064 1.00 . A A . 21 ARG HH22 1 1 15 8454 1 1 21 ARG N N 4.988 2.654 1.769 1.00 . A A . 21 ARG N 1 1 15 8455 1 1 21 ARG NE N 9.647 4.740 0.020 1.00 . A A . 21 ARG NE 1 1 15 8456 1 1 21 ARG NH1 N 10.061 6.183 -1.740 1.00 . A A . 21 ARG NH1 1 1 15 8457 1 1 21 ARG NH2 N 10.578 6.810 0.404 1.00 . A A . 21 ARG NH2 1 1 15 8458 1 1 21 ARG O O 7.986 1.479 3.139 1.00 . A A . 21 ARG O 1 1 15 8459 1 1 22 LYS C C 7.073 2.314 5.886 1.00 . A A . 22 LYS C 1 1 15 8460 1 1 22 LYS CA C 7.482 3.473 4.979 1.00 . A A . 22 LYS CA 1 1 15 8461 1 1 22 LYS CB C 7.085 4.805 5.628 1.00 . A A . 22 LYS CB 1 1 15 8462 1 1 22 LYS CD C 9.162 5.125 7.017 1.00 . A A . 22 LYS CD 1 1 15 8463 1 1 22 LYS CE C 9.739 5.103 8.426 1.00 . A A . 22 LYS CE 1 1 15 8464 1 1 22 LYS CG C 7.648 5.001 7.031 1.00 . A A . 22 LYS CG 1 1 15 8465 1 1 22 LYS H H 6.175 4.002 3.400 1.00 . A A . 22 LYS H 1 1 15 8466 1 1 22 LYS HA H 8.554 3.452 4.844 1.00 . A A . 22 LYS HA 1 1 15 8467 1 1 22 LYS HB2 H 7.432 5.615 5.002 1.00 . A A . 22 LYS HB2 1 1 15 8468 1 1 22 LYS HB3 H 6.008 4.853 5.689 1.00 . A A . 22 LYS HB3 1 1 15 8469 1 1 22 LYS HD2 H 9.592 4.303 6.466 1.00 . A A . 22 LYS HD2 1 1 15 8470 1 1 22 LYS HD3 H 9.432 6.058 6.545 1.00 . A A . 22 LYS HD3 1 1 15 8471 1 1 22 LYS HE2 H 10.793 5.331 8.368 1.00 . A A . 22 LYS HE2 1 1 15 8472 1 1 22 LYS HE3 H 9.245 5.858 9.024 1.00 . A A . 22 LYS HE3 1 1 15 8473 1 1 22 LYS HG2 H 7.235 5.912 7.439 1.00 . A A . 22 LYS HG2 1 1 15 8474 1 1 22 LYS HG3 H 7.356 4.171 7.654 1.00 . A A . 22 LYS HG3 1 1 15 8475 1 1 22 LYS HZ1 H 10.104 3.760 9.979 1.00 . A A . 22 LYS HZ1 1 1 15 8476 1 1 22 LYS HZ2 H 9.934 3.016 8.471 1.00 . A A . 22 LYS HZ2 1 1 15 8477 1 1 22 LYS HZ3 H 8.571 3.599 9.289 1.00 . A A . 22 LYS HZ3 1 1 15 8478 1 1 22 LYS N N 6.857 3.342 3.669 1.00 . A A . 22 LYS N 1 1 15 8479 1 1 22 LYS NZ N 9.574 3.778 9.084 1.00 . A A . 22 LYS NZ 1 1 15 8480 1 1 22 LYS O O 7.880 1.804 6.662 1.00 . A A . 22 LYS O 1 1 15 8481 1 1 23 GLN C C 5.772 -0.530 6.279 1.00 . A A . 23 GLN C 1 1 15 8482 1 1 23 GLN CA C 5.263 0.868 6.634 1.00 . A A . 23 GLN CA 1 1 15 8483 1 1 23 GLN CB C 3.735 0.894 6.567 1.00 . A A . 23 GLN CB 1 1 15 8484 1 1 23 GLN CD C 1.567 -0.161 7.354 1.00 . A A . 23 GLN CD 1 1 15 8485 1 1 23 GLN CG C 3.079 -0.177 7.421 1.00 . A A . 23 GLN CG 1 1 15 8486 1 1 23 GLN H H 5.219 2.340 5.121 1.00 . A A . 23 GLN H 1 1 15 8487 1 1 23 GLN HA H 5.559 1.089 7.652 1.00 . A A . 23 GLN HA 1 1 15 8488 1 1 23 GLN HB2 H 3.388 1.862 6.891 1.00 . A A . 23 GLN HB2 1 1 15 8489 1 1 23 GLN HB3 H 3.448 0.742 5.540 1.00 . A A . 23 GLN HB3 1 1 15 8490 1 1 23 GLN HE21 H 1.569 0.534 5.472 1.00 . A A . 23 GLN HE21 1 1 15 8491 1 1 23 GLN HE22 H 0.037 0.275 6.191 1.00 . A A . 23 GLN HE22 1 1 15 8492 1 1 23 GLN HG2 H 3.409 -1.149 7.091 1.00 . A A . 23 GLN HG2 1 1 15 8493 1 1 23 GLN HG3 H 3.377 -0.030 8.449 1.00 . A A . 23 GLN HG3 1 1 15 8494 1 1 23 GLN N N 5.818 1.898 5.768 1.00 . A A . 23 GLN N 1 1 15 8495 1 1 23 GLN NE2 N 1.016 0.258 6.226 1.00 . A A . 23 GLN NE2 1 1 15 8496 1 1 23 GLN O O 6.273 -1.249 7.144 1.00 . A A . 23 GLN O 1 1 15 8497 1 1 23 GLN OE1 O 0.898 -0.528 8.317 1.00 . A A . 23 GLN OE1 1 1 15 8498 1 1 24 THR C C 6.952 -2.369 3.487 1.00 . A A . 24 THR C 1 1 15 8499 1 1 24 THR CA C 5.938 -2.296 4.632 1.00 . A A . 24 THR CA 1 1 15 8500 1 1 24 THR CB C 4.640 -3.046 4.241 1.00 . A A . 24 THR CB 1 1 15 8501 1 1 24 THR CG2 C 3.969 -2.394 3.041 1.00 . A A . 24 THR CG2 1 1 15 8502 1 1 24 THR H H 5.230 -0.319 4.360 1.00 . A A . 24 THR H 1 1 15 8503 1 1 24 THR HA H 6.374 -2.814 5.476 1.00 . A A . 24 THR HA 1 1 15 8504 1 1 24 THR HB H 3.949 -3.005 5.072 1.00 . A A . 24 THR HB 1 1 15 8505 1 1 24 THR HG1 H 4.124 -4.948 4.094 1.00 . A A . 24 THR HG1 1 1 15 8506 1 1 24 THR HG21 H 4.491 -1.500 2.738 1.00 . A A . 24 THR HG21 1 1 15 8507 1 1 24 THR HG22 H 2.954 -2.135 3.302 1.00 . A A . 24 THR HG22 1 1 15 8508 1 1 24 THR HG23 H 3.952 -3.091 2.214 1.00 . A A . 24 THR HG23 1 1 15 8509 1 1 24 THR N N 5.639 -0.922 5.019 1.00 . A A . 24 THR N 1 1 15 8510 1 1 24 THR O O 7.183 -3.437 2.923 1.00 . A A . 24 THR O 1 1 15 8511 1 1 24 THR OG1 O 4.914 -4.421 3.946 1.00 . A A . 24 THR OG1 1 1 15 8512 1 1 25 GLY C C 7.963 -1.212 0.690 1.00 . A A . 25 GLY C 1 1 15 8513 1 1 25 GLY CA C 8.560 -1.224 2.087 1.00 . A A . 25 GLY CA 1 1 15 8514 1 1 25 GLY H H 7.345 -0.397 3.599 1.00 . A A . 25 GLY H 1 1 15 8515 1 1 25 GLY HA2 H 9.176 -0.347 2.205 1.00 . A A . 25 GLY HA2 1 1 15 8516 1 1 25 GLY HA3 H 9.193 -2.098 2.184 1.00 . A A . 25 GLY HA3 1 1 15 8517 1 1 25 GLY N N 7.550 -1.237 3.137 1.00 . A A . 25 GLY N 1 1 15 8518 1 1 25 GLY O O 8.638 -0.868 -0.279 1.00 . A A . 25 GLY O 1 1 15 8519 1 1 26 CYS C C 5.487 -0.323 -1.141 1.00 . A A . 26 CYS C 1 1 15 8520 1 1 26 CYS CA C 6.022 -1.677 -0.692 1.00 . A A . 26 CYS CA 1 1 15 8521 1 1 26 CYS CB C 4.878 -2.686 -0.590 1.00 . A A . 26 CYS CB 1 1 15 8522 1 1 26 CYS H H 6.188 -1.816 1.381 1.00 . A A . 26 CYS H 1 1 15 8523 1 1 26 CYS HA H 6.734 -2.060 -1.406 1.00 . A A . 26 CYS HA 1 1 15 8524 1 1 26 CYS HB2 H 5.260 -3.598 -0.227 1.00 . A A . 26 CYS HB2 1 1 15 8525 1 1 26 CYS HB3 H 4.156 -2.315 0.127 1.00 . A A . 26 CYS HB3 1 1 15 8526 1 1 26 CYS N N 6.695 -1.571 0.591 1.00 . A A . 26 CYS N 1 1 15 8527 1 1 26 CYS O O 4.708 0.308 -0.431 1.00 . A A . 26 CYS O 1 1 15 8528 1 1 26 CYS SG S 3.979 -2.989 -2.146 1.00 . A A . 26 CYS SG 1 1 15 8529 1 1 27 PRO C C 4.126 1.256 -3.655 1.00 . A A . 27 PRO C 1 1 15 8530 1 1 27 PRO CA C 5.440 1.410 -2.887 1.00 . A A . 27 PRO CA 1 1 15 8531 1 1 27 PRO CB C 6.573 1.796 -3.832 1.00 . A A . 27 PRO CB 1 1 15 8532 1 1 27 PRO CD C 6.893 -0.509 -3.209 1.00 . A A . 27 PRO CD 1 1 15 8533 1 1 27 PRO CG C 7.123 0.494 -4.313 1.00 . A A . 27 PRO CG 1 1 15 8534 1 1 27 PRO HA H 5.326 2.173 -2.128 1.00 . A A . 27 PRO HA 1 1 15 8535 1 1 27 PRO HB2 H 6.201 2.400 -4.651 1.00 . A A . 27 PRO HB2 1 1 15 8536 1 1 27 PRO HB3 H 7.319 2.353 -3.286 1.00 . A A . 27 PRO HB3 1 1 15 8537 1 1 27 PRO HD2 H 6.500 -1.415 -3.618 1.00 . A A . 27 PRO HD2 1 1 15 8538 1 1 27 PRO HD3 H 7.816 -0.700 -2.682 1.00 . A A . 27 PRO HD3 1 1 15 8539 1 1 27 PRO HG2 H 6.604 0.187 -5.209 1.00 . A A . 27 PRO HG2 1 1 15 8540 1 1 27 PRO HG3 H 8.180 0.595 -4.510 1.00 . A A . 27 PRO HG3 1 1 15 8541 1 1 27 PRO N N 5.907 0.146 -2.326 1.00 . A A . 27 PRO N 1 1 15 8542 1 1 27 PRO O O 3.730 2.139 -4.414 1.00 . A A . 27 PRO O 1 1 15 8543 1 1 28 ASN C C 1.057 -0.183 -3.093 1.00 . A A . 28 ASN C 1 1 15 8544 1 1 28 ASN CA C 2.186 -0.132 -4.112 1.00 . A A . 28 ASN CA 1 1 15 8545 1 1 28 ASN CB C 2.227 -1.436 -4.912 1.00 . A A . 28 ASN CB 1 1 15 8546 1 1 28 ASN CG C 2.880 -1.271 -6.271 1.00 . A A . 28 ASN CG 1 1 15 8547 1 1 28 ASN H H 3.796 -0.537 -2.868 1.00 . A A . 28 ASN H 1 1 15 8548 1 1 28 ASN HA H 1.975 0.680 -4.804 1.00 . A A . 28 ASN HA 1 1 15 8549 1 1 28 ASN HB2 H 2.766 -2.180 -4.376 1.00 . A A . 28 ASN HB2 1 1 15 8550 1 1 28 ASN HB3 H 1.227 -1.782 -5.080 1.00 . A A . 28 ASN HB3 1 1 15 8551 1 1 28 ASN HD21 H 1.112 -0.858 -7.113 1.00 . A A . 28 ASN HD21 1 1 15 8552 1 1 28 ASN HD22 H 2.480 -0.853 -8.168 1.00 . A A . 28 ASN HD22 1 1 15 8553 1 1 28 ASN N N 3.461 0.125 -3.460 1.00 . A A . 28 ASN N 1 1 15 8554 1 1 28 ASN ND2 N 2.076 -0.964 -7.282 1.00 . A A . 28 ASN ND2 1 1 15 8555 1 1 28 ASN O O 0.848 -1.195 -2.419 1.00 . A A . 28 ASN O 1 1 15 8556 1 1 28 ASN OD1 O 4.091 -1.422 -6.419 1.00 . A A . 28 ASN OD1 1 1 15 8557 1 1 29 ALA C C -2.022 1.464 -2.912 1.00 . A A . 29 ALA C 1 1 15 8558 1 1 29 ALA CA C -0.810 1.022 -2.113 1.00 . A A . 29 ALA CA 1 1 15 8559 1 1 29 ALA CB C -0.539 2.000 -0.982 1.00 . A A . 29 ALA CB 1 1 15 8560 1 1 29 ALA H H 0.564 1.665 -3.531 1.00 . A A . 29 ALA H 1 1 15 8561 1 1 29 ALA HA H -1.012 0.055 -1.672 1.00 . A A . 29 ALA HA 1 1 15 8562 1 1 29 ALA HB1 H -1.050 1.667 -0.091 1.00 . A A . 29 ALA HB1 1 1 15 8563 1 1 29 ALA HB2 H -0.886 2.992 -1.245 1.00 . A A . 29 ALA HB2 1 1 15 8564 1 1 29 ALA HB3 H 0.519 2.041 -0.789 1.00 . A A . 29 ALA HB3 1 1 15 8565 1 1 29 ALA N N 0.342 0.922 -2.989 1.00 . A A . 29 ALA N 1 1 15 8566 1 1 29 ALA O O -1.981 2.482 -3.606 1.00 . A A . 29 ALA O 1 1 15 8567 1 1 30 LYS C C -5.466 1.180 -2.635 1.00 . A A . 30 LYS C 1 1 15 8568 1 1 30 LYS CA C -4.291 1.015 -3.583 1.00 . A A . 30 LYS CA 1 1 15 8569 1 1 30 LYS CB C -4.573 -0.082 -4.610 1.00 . A A . 30 LYS CB 1 1 15 8570 1 1 30 LYS CD C -5.765 -0.757 -6.708 1.00 . A A . 30 LYS CD 1 1 15 8571 1 1 30 LYS CE C -6.148 -2.137 -6.203 1.00 . A A . 30 LYS CE 1 1 15 8572 1 1 30 LYS CG C -5.696 0.255 -5.579 1.00 . A A . 30 LYS CG 1 1 15 8573 1 1 30 LYS H H -3.077 -0.118 -2.283 1.00 . A A . 30 LYS H 1 1 15 8574 1 1 30 LYS HA H -4.143 1.949 -4.117 1.00 . A A . 30 LYS HA 1 1 15 8575 1 1 30 LYS HB2 H -3.667 -0.255 -5.179 1.00 . A A . 30 LYS HB2 1 1 15 8576 1 1 30 LYS HB3 H -4.830 -0.988 -4.083 1.00 . A A . 30 LYS HB3 1 1 15 8577 1 1 30 LYS HD2 H -6.508 -0.431 -7.420 1.00 . A A . 30 LYS HD2 1 1 15 8578 1 1 30 LYS HD3 H -4.801 -0.815 -7.197 1.00 . A A . 30 LYS HD3 1 1 15 8579 1 1 30 LYS HE2 H -5.571 -2.393 -5.330 1.00 . A A . 30 LYS HE2 1 1 15 8580 1 1 30 LYS HE3 H -7.198 -2.135 -5.952 1.00 . A A . 30 LYS HE3 1 1 15 8581 1 1 30 LYS HG2 H -6.635 0.260 -5.045 1.00 . A A . 30 LYS HG2 1 1 15 8582 1 1 30 LYS HG3 H -5.516 1.235 -6.001 1.00 . A A . 30 LYS HG3 1 1 15 8583 1 1 30 LYS HZ1 H -6.481 -2.994 -8.079 1.00 . A A . 30 LYS HZ1 1 1 15 8584 1 1 30 LYS HZ2 H -6.162 -4.115 -6.854 1.00 . A A . 30 LYS HZ2 1 1 15 8585 1 1 30 LYS HZ3 H -4.900 -3.196 -7.503 1.00 . A A . 30 LYS HZ3 1 1 15 8586 1 1 30 LYS N N -3.090 0.697 -2.837 1.00 . A A . 30 LYS N 1 1 15 8587 1 1 30 LYS NZ N -5.905 -3.180 -7.231 1.00 . A A . 30 LYS NZ 1 1 15 8588 1 1 30 LYS O O -5.814 0.255 -1.900 1.00 . A A . 30 LYS O 1 1 15 8589 1 1 31 CYS C C -8.470 2.116 -2.400 1.00 . A A . 31 CYS C 1 1 15 8590 1 1 31 CYS CA C -7.192 2.628 -1.763 1.00 . A A . 31 CYS CA 1 1 15 8591 1 1 31 CYS CB C -7.332 4.119 -1.450 1.00 . A A . 31 CYS CB 1 1 15 8592 1 1 31 CYS H H -5.735 3.081 -3.228 1.00 . A A . 31 CYS H 1 1 15 8593 1 1 31 CYS HA H -7.023 2.105 -0.839 1.00 . A A . 31 CYS HA 1 1 15 8594 1 1 31 CYS HB2 H -6.365 4.502 -1.153 1.00 . A A . 31 CYS HB2 1 1 15 8595 1 1 31 CYS HB3 H -7.663 4.649 -2.333 1.00 . A A . 31 CYS HB3 1 1 15 8596 1 1 31 CYS N N -6.061 2.365 -2.631 1.00 . A A . 31 CYS N 1 1 15 8597 1 1 31 CYS O O -8.982 2.698 -3.358 1.00 . A A . 31 CYS O 1 1 15 8598 1 1 31 CYS SG S -8.499 4.464 -0.092 1.00 . A A . 31 CYS SG 1 1 15 8599 1 1 32 ILE C C -11.186 0.350 -1.176 1.00 . A A . 32 ILE C 1 1 15 8600 1 1 32 ILE CA C -10.207 0.440 -2.332 1.00 . A A . 32 ILE CA 1 1 15 8601 1 1 32 ILE CB C -10.004 -0.945 -3.000 1.00 . A A . 32 ILE CB 1 1 15 8602 1 1 32 ILE CD1 C -9.347 -2.388 -0.975 1.00 . A A . 32 ILE CD1 1 1 15 8603 1 1 32 ILE CG1 C -8.916 -1.769 -2.290 1.00 . A A . 32 ILE CG1 1 1 15 8604 1 1 32 ILE CG2 C -9.651 -0.773 -4.471 1.00 . A A . 32 ILE CG2 1 1 15 8605 1 1 32 ILE H H -8.501 0.594 -1.112 1.00 . A A . 32 ILE H 1 1 15 8606 1 1 32 ILE HA H -10.646 1.108 -3.072 1.00 . A A . 32 ILE HA 1 1 15 8607 1 1 32 ILE HB H -10.940 -1.490 -2.963 1.00 . A A . 32 ILE HB 1 1 15 8608 1 1 32 ILE HD11 H -8.777 -3.289 -0.803 1.00 . A A . 32 ILE HD11 1 1 15 8609 1 1 32 ILE HD12 H -10.401 -2.633 -1.004 1.00 . A A . 32 ILE HD12 1 1 15 8610 1 1 32 ILE HD13 H -9.161 -1.692 -0.172 1.00 . A A . 32 ILE HD13 1 1 15 8611 1 1 32 ILE HG12 H -8.632 -2.594 -2.932 1.00 . A A . 32 ILE HG12 1 1 15 8612 1 1 32 ILE HG13 H -8.040 -1.169 -2.109 1.00 . A A . 32 ILE HG13 1 1 15 8613 1 1 32 ILE HG21 H -9.539 -1.744 -4.934 1.00 . A A . 32 ILE HG21 1 1 15 8614 1 1 32 ILE HG22 H -8.725 -0.224 -4.561 1.00 . A A . 32 ILE HG22 1 1 15 8615 1 1 32 ILE HG23 H -10.440 -0.229 -4.971 1.00 . A A . 32 ILE HG23 1 1 15 8616 1 1 32 ILE N N -8.963 1.015 -1.874 1.00 . A A . 32 ILE N 1 1 15 8617 1 1 32 ILE O O -10.782 0.137 -0.033 1.00 . A A . 32 ILE O 1 1 15 8618 1 1 33 ASN C C -13.231 1.592 0.632 1.00 . A A . 33 ASN C 1 1 15 8619 1 1 33 ASN CA C -13.511 0.549 -0.450 1.00 . A A . 33 ASN CA 1 1 15 8620 1 1 33 ASN CB C -13.621 -0.843 0.179 1.00 . A A . 33 ASN CB 1 1 15 8621 1 1 33 ASN CG C -13.930 -1.930 -0.834 1.00 . A A . 33 ASN CG 1 1 15 8622 1 1 33 ASN H H -12.721 0.780 -2.397 1.00 . A A . 33 ASN H 1 1 15 8623 1 1 33 ASN HA H -14.446 0.793 -0.932 1.00 . A A . 33 ASN HA 1 1 15 8624 1 1 33 ASN HB2 H -12.691 -1.094 0.664 1.00 . A A . 33 ASN HB2 1 1 15 8625 1 1 33 ASN HB3 H -14.410 -0.835 0.920 1.00 . A A . 33 ASN HB3 1 1 15 8626 1 1 33 ASN HD21 H -15.891 -1.672 -0.571 1.00 . A A . 33 ASN HD21 1 1 15 8627 1 1 33 ASN HD22 H -15.425 -2.884 -1.709 1.00 . A A . 33 ASN HD22 1 1 15 8628 1 1 33 ASN N N -12.463 0.572 -1.470 1.00 . A A . 33 ASN N 1 1 15 8629 1 1 33 ASN ND2 N -15.207 -2.185 -1.058 1.00 . A A . 33 ASN ND2 1 1 15 8630 1 1 33 ASN O O -13.642 1.432 1.784 1.00 . A A . 33 ASN O 1 1 15 8631 1 1 33 ASN OD1 O -13.027 -2.542 -1.407 1.00 . A A . 33 ASN OD1 1 1 15 8632 1 1 34 LYS C C -11.079 3.329 2.141 1.00 . A A . 34 LYS C 1 1 15 8633 1 1 34 LYS CA C -12.145 3.755 1.130 1.00 . A A . 34 LYS CA 1 1 15 8634 1 1 34 LYS CB C -13.358 4.332 1.866 1.00 . A A . 34 LYS CB 1 1 15 8635 1 1 34 LYS CD C -15.500 5.643 1.747 1.00 . A A . 34 LYS CD 1 1 15 8636 1 1 34 LYS CE C -16.325 4.604 2.493 1.00 . A A . 34 LYS CE 1 1 15 8637 1 1 34 LYS CG C -14.373 5.003 0.952 1.00 . A A . 34 LYS CG 1 1 15 8638 1 1 34 LYS H H -12.246 2.735 -0.699 1.00 . A A . 34 LYS H 1 1 15 8639 1 1 34 LYS HA H -11.738 4.523 0.526 1.00 . A A . 34 LYS HA 1 1 15 8640 1 1 34 LYS HB2 H -13.841 3.550 2.414 1.00 . A A . 34 LYS HB2 1 1 15 8641 1 1 34 LYS HB3 H -13.010 5.080 2.571 1.00 . A A . 34 LYS HB3 1 1 15 8642 1 1 34 LYS HD2 H -15.083 6.338 2.462 1.00 . A A . 34 LYS HD2 1 1 15 8643 1 1 34 LYS HD3 H -16.146 6.176 1.064 1.00 . A A . 34 LYS HD3 1 1 15 8644 1 1 34 LYS HE2 H -16.833 3.981 1.774 1.00 . A A . 34 LYS HE2 1 1 15 8645 1 1 34 LYS HE3 H -15.680 3.992 3.103 1.00 . A A . 34 LYS HE3 1 1 15 8646 1 1 34 LYS HG2 H -13.873 5.771 0.379 1.00 . A A . 34 LYS HG2 1 1 15 8647 1 1 34 LYS HG3 H -14.786 4.263 0.280 1.00 . A A . 34 LYS HG3 1 1 15 8648 1 1 34 LYS HZ1 H -17.995 5.816 2.822 1.00 . A A . 34 LYS HZ1 1 1 15 8649 1 1 34 LYS HZ2 H -16.872 5.835 4.091 1.00 . A A . 34 LYS HZ2 1 1 15 8650 1 1 34 LYS HZ3 H -17.881 4.496 3.874 1.00 . A A . 34 LYS HZ3 1 1 15 8651 1 1 34 LYS N N -12.530 2.658 0.235 1.00 . A A . 34 LYS N 1 1 15 8652 1 1 34 LYS NZ N -17.337 5.232 3.380 1.00 . A A . 34 LYS NZ 1 1 15 8653 1 1 34 LYS O O -10.956 3.930 3.209 1.00 . A A . 34 LYS O 1 1 15 8654 1 1 35 SER C C -7.966 1.552 1.847 1.00 . A A . 35 SER C 1 1 15 8655 1 1 35 SER CA C -9.227 1.838 2.663 1.00 . A A . 35 SER CA 1 1 15 8656 1 1 35 SER CB C -9.661 0.581 3.424 1.00 . A A . 35 SER CB 1 1 15 8657 1 1 35 SER H H -10.437 1.855 0.941 1.00 . A A . 35 SER H 1 1 15 8658 1 1 35 SER HA H -8.998 2.613 3.387 1.00 . A A . 35 SER HA 1 1 15 8659 1 1 35 SER HB2 H -9.975 -0.174 2.719 1.00 . A A . 35 SER HB2 1 1 15 8660 1 1 35 SER HB3 H -8.832 0.204 4.009 1.00 . A A . 35 SER HB3 1 1 15 8661 1 1 35 SER HG H -10.869 0.120 4.899 1.00 . A A . 35 SER HG 1 1 15 8662 1 1 35 SER N N -10.309 2.301 1.803 1.00 . A A . 35 SER N 1 1 15 8663 1 1 35 SER O O -8.025 0.910 0.797 1.00 . A A . 35 SER O 1 1 15 8664 1 1 35 SER OG O -10.741 0.861 4.302 1.00 . A A . 35 SER OG 1 1 15 8665 1 1 36 CYS C C -5.119 0.344 1.870 1.00 . A A . 36 CYS C 1 1 15 8666 1 1 36 CYS CA C -5.545 1.794 1.678 1.00 . A A . 36 CYS CA 1 1 15 8667 1 1 36 CYS CB C -4.452 2.711 2.237 1.00 . A A . 36 CYS CB 1 1 15 8668 1 1 36 CYS H H -6.845 2.570 3.163 1.00 . A A . 36 CYS H 1 1 15 8669 1 1 36 CYS HA H -5.654 1.988 0.621 1.00 . A A . 36 CYS HA 1 1 15 8670 1 1 36 CYS HB2 H -4.658 2.912 3.279 1.00 . A A . 36 CYS HB2 1 1 15 8671 1 1 36 CYS HB3 H -3.493 2.211 2.165 1.00 . A A . 36 CYS HB3 1 1 15 8672 1 1 36 CYS N N -6.829 2.051 2.324 1.00 . A A . 36 CYS N 1 1 15 8673 1 1 36 CYS O O -4.812 -0.081 2.984 1.00 . A A . 36 CYS O 1 1 15 8674 1 1 36 CYS SG S -4.295 4.321 1.398 1.00 . A A . 36 CYS SG 1 1 15 8675 1 1 37 LYS C C -3.311 -1.886 0.093 1.00 . A A . 37 LYS C 1 1 15 8676 1 1 37 LYS CA C -4.642 -1.783 0.826 1.00 . A A . 37 LYS CA 1 1 15 8677 1 1 37 LYS CB C -5.686 -2.729 0.215 1.00 . A A . 37 LYS CB 1 1 15 8678 1 1 37 LYS CD C -4.563 -4.712 -0.892 1.00 . A A . 37 LYS CD 1 1 15 8679 1 1 37 LYS CE C -5.450 -4.773 -2.124 1.00 . A A . 37 LYS CE 1 1 15 8680 1 1 37 LYS CG C -5.328 -4.209 0.325 1.00 . A A . 37 LYS CG 1 1 15 8681 1 1 37 LYS H H -5.376 -0.029 -0.082 1.00 . A A . 37 LYS H 1 1 15 8682 1 1 37 LYS HA H -4.494 -2.076 1.862 1.00 . A A . 37 LYS HA 1 1 15 8683 1 1 37 LYS HB2 H -6.620 -2.578 0.741 1.00 . A A . 37 LYS HB2 1 1 15 8684 1 1 37 LYS HB3 H -5.831 -2.461 -0.818 1.00 . A A . 37 LYS HB3 1 1 15 8685 1 1 37 LYS HD2 H -3.725 -4.073 -1.099 1.00 . A A . 37 LYS HD2 1 1 15 8686 1 1 37 LYS HD3 H -4.203 -5.708 -0.681 1.00 . A A . 37 LYS HD3 1 1 15 8687 1 1 37 LYS HE2 H -5.895 -3.808 -2.305 1.00 . A A . 37 LYS HE2 1 1 15 8688 1 1 37 LYS HE3 H -4.836 -5.042 -2.971 1.00 . A A . 37 LYS HE3 1 1 15 8689 1 1 37 LYS HG2 H -4.714 -4.364 1.203 1.00 . A A . 37 LYS HG2 1 1 15 8690 1 1 37 LYS HG3 H -6.239 -4.778 0.434 1.00 . A A . 37 LYS HG3 1 1 15 8691 1 1 37 LYS HZ1 H -6.137 -6.702 -1.670 1.00 . A A . 37 LYS HZ1 1 1 15 8692 1 1 37 LYS HZ2 H -7.004 -5.926 -2.897 1.00 . A A . 37 LYS HZ2 1 1 15 8693 1 1 37 LYS HZ3 H -7.235 -5.468 -1.290 1.00 . A A . 37 LYS HZ3 1 1 15 8694 1 1 37 LYS N N -5.114 -0.412 0.787 1.00 . A A . 37 LYS N 1 1 15 8695 1 1 37 LYS NZ N -6.529 -5.787 -1.982 1.00 . A A . 37 LYS NZ 1 1 15 8696 1 1 37 LYS O O -3.219 -1.583 -1.099 1.00 . A A . 37 LYS O 1 1 15 8697 1 1 38 CYS C C -0.769 -3.850 -0.294 1.00 . A A . 38 CYS C 1 1 15 8698 1 1 38 CYS CA C -0.959 -2.439 0.248 1.00 . A A . 38 CYS CA 1 1 15 8699 1 1 38 CYS CB C 0.107 -2.130 1.305 1.00 . A A . 38 CYS CB 1 1 15 8700 1 1 38 CYS H H -2.417 -2.513 1.770 1.00 . A A . 38 CYS H 1 1 15 8701 1 1 38 CYS HA H -0.848 -1.736 -0.568 1.00 . A A . 38 CYS HA 1 1 15 8702 1 1 38 CYS HB2 H -0.085 -2.739 2.177 1.00 . A A . 38 CYS HB2 1 1 15 8703 1 1 38 CYS HB3 H 1.084 -2.380 0.913 1.00 . A A . 38 CYS HB3 1 1 15 8704 1 1 38 CYS N N -2.284 -2.294 0.817 1.00 . A A . 38 CYS N 1 1 15 8705 1 1 38 CYS O O -1.300 -4.818 0.260 1.00 . A A . 38 CYS O 1 1 15 8706 1 1 38 CYS SG S 0.138 -0.393 1.853 1.00 . A A . 38 CYS SG 1 1 15 8707 1 1 39 TYR C C 1.300 -6.033 -1.220 1.00 . A A . 39 TYR C 1 1 15 8708 1 1 39 TYR CA C 0.246 -5.260 -2.001 1.00 . A A . 39 TYR CA 1 1 15 8709 1 1 39 TYR CB C 0.713 -5.080 -3.446 1.00 . A A . 39 TYR CB 1 1 15 8710 1 1 39 TYR CD1 C -0.684 -3.172 -4.335 1.00 . A A . 39 TYR CD1 1 1 15 8711 1 1 39 TYR CD2 C -0.956 -5.323 -5.326 1.00 . A A . 39 TYR CD2 1 1 15 8712 1 1 39 TYR CE1 C -1.620 -2.649 -5.200 1.00 . A A . 39 TYR CE1 1 1 15 8713 1 1 39 TYR CE2 C -1.898 -4.806 -6.194 1.00 . A A . 39 TYR CE2 1 1 15 8714 1 1 39 TYR CG C -0.335 -4.515 -4.379 1.00 . A A . 39 TYR CG 1 1 15 8715 1 1 39 TYR CZ C -2.224 -3.467 -6.129 1.00 . A A . 39 TYR CZ 1 1 15 8716 1 1 39 TYR H H 0.402 -3.156 -1.762 1.00 . A A . 39 TYR H 1 1 15 8717 1 1 39 TYR HA H -0.675 -5.832 -1.999 1.00 . A A . 39 TYR HA 1 1 15 8718 1 1 39 TYR HB2 H 1.559 -4.406 -3.454 1.00 . A A . 39 TYR HB2 1 1 15 8719 1 1 39 TYR HB3 H 1.032 -6.040 -3.839 1.00 . A A . 39 TYR HB3 1 1 15 8720 1 1 39 TYR HD1 H -0.226 -2.538 -3.619 1.00 . A A . 39 TYR HD1 1 1 15 8721 1 1 39 TYR HD2 H -0.701 -6.373 -5.376 1.00 . A A . 39 TYR HD2 1 1 15 8722 1 1 39 TYR HE1 H -1.876 -1.601 -5.148 1.00 . A A . 39 TYR HE1 1 1 15 8723 1 1 39 TYR HE2 H -2.371 -5.448 -6.922 1.00 . A A . 39 TYR HE2 1 1 15 8724 1 1 39 TYR HH H -2.711 -2.672 -7.809 1.00 . A A . 39 TYR HH 1 1 15 8725 1 1 39 TYR N N -0.006 -3.964 -1.374 1.00 . A A . 39 TYR N 1 1 15 8726 1 1 39 TYR O O 1.568 -7.198 -1.502 1.00 . A A . 39 TYR O 1 1 15 8727 1 1 39 TYR OH O -3.149 -2.938 -6.998 1.00 . A A . 39 TYR OH 1 1 15 8728 1 1 40 GLY C C 4.275 -6.019 -0.032 1.00 . A A . 40 GLY C 1 1 15 8729 1 1 40 GLY CA C 2.898 -6.012 0.595 1.00 . A A . 40 GLY CA 1 1 15 8730 1 1 40 GLY H H 1.696 -4.437 -0.062 1.00 . A A . 40 GLY H 1 1 15 8731 1 1 40 GLY HA2 H 2.950 -5.477 1.532 1.00 . A A . 40 GLY HA2 1 1 15 8732 1 1 40 GLY HA3 H 2.600 -7.034 0.798 1.00 . A A . 40 GLY HA3 1 1 15 8733 1 1 40 GLY N N 1.909 -5.369 -0.248 1.00 . A A . 40 GLY N 1 1 15 8734 1 1 40 GLY O O 5.262 -5.683 0.624 1.00 . A A . 40 GLY O 1 1 15 8735 1 1 41 CYS C C 6.539 -7.447 -1.412 1.00 . A A . 41 CYS C 1 1 15 8736 1 1 41 CYS CA C 5.572 -6.459 -2.059 1.00 . A A . 41 CYS CA 1 1 15 8737 1 1 41 CYS CB C 6.209 -5.073 -2.180 1.00 . A A . 41 CYS CB 1 1 15 8738 1 1 41 CYS H H 3.515 -6.628 -1.781 1.00 . A A . 41 CYS H 1 1 15 8739 1 1 41 CYS HA H 5.332 -6.824 -3.048 1.00 . A A . 41 CYS HA 1 1 15 8740 1 1 41 CYS HB2 H 6.294 -4.625 -1.226 1.00 . A A . 41 CYS HB2 1 1 15 8741 1 1 41 CYS HB3 H 7.209 -5.192 -2.581 1.00 . A A . 41 CYS HB3 1 1 15 8742 1 1 41 CYS N N 4.327 -6.380 -1.309 1.00 . A A . 41 CYS N 1 1 15 8743 1 1 41 CYS O O 7.526 -7.007 -0.795 1.00 . A A . 41 CYS O 1 1 15 8744 1 1 41 CYS OXT O 6.285 -8.669 -1.506 1.00 . A A . 41 CYS OXT 1 1 15 8745 1 1 41 CYS SG S 5.336 -3.938 -3.317 1.00 . A A . 41 CYS SG 1 1 16 8746 1 1 1 TRP C C 6.041 6.044 11.623 1.00 . A A . 1 TRP C 1 1 16 8747 1 1 1 TRP CA C 6.501 4.752 12.273 1.00 . A A . 1 TRP CA 1 1 16 8748 1 1 1 TRP CB C 6.222 3.580 11.325 1.00 . A A . 1 TRP CB 1 1 16 8749 1 1 1 TRP CD1 C 8.033 1.788 11.569 1.00 . A A . 1 TRP CD1 1 1 16 8750 1 1 1 TRP CD2 C 6.098 1.281 12.573 1.00 . A A . 1 TRP CD2 1 1 16 8751 1 1 1 TRP CE2 C 7.002 0.222 12.775 1.00 . A A . 1 TRP CE2 1 1 16 8752 1 1 1 TRP CE3 C 4.810 1.182 13.111 1.00 . A A . 1 TRP CE3 1 1 16 8753 1 1 1 TRP CG C 6.778 2.273 11.798 1.00 . A A . 1 TRP CG 1 1 16 8754 1 1 1 TRP CH2 C 5.395 -0.987 14.016 1.00 . A A . 1 TRP CH2 1 1 16 8755 1 1 1 TRP CZ2 C 6.661 -0.919 13.500 1.00 . A A . 1 TRP CZ2 1 1 16 8756 1 1 1 TRP CZ3 C 4.474 0.050 13.828 1.00 . A A . 1 TRP CZ3 1 1 16 8757 1 1 1 TRP H1 H 5.985 5.405 14.155 1.00 . A A . 1 TRP H1 1 1 16 8758 1 1 1 TRP H2 H 6.228 3.717 14.027 1.00 . A A . 1 TRP H2 1 1 16 8759 1 1 1 TRP H3 H 4.797 4.425 13.397 1.00 . A A . 1 TRP H3 1 1 16 8760 1 1 1 TRP HA H 7.565 4.817 12.457 1.00 . A A . 1 TRP HA 1 1 16 8761 1 1 1 TRP HB2 H 5.154 3.463 11.214 1.00 . A A . 1 TRP HB2 1 1 16 8762 1 1 1 TRP HB3 H 6.655 3.793 10.354 1.00 . A A . 1 TRP HB3 1 1 16 8763 1 1 1 TRP HD1 H 8.794 2.309 11.007 1.00 . A A . 1 TRP HD1 1 1 16 8764 1 1 1 TRP HE1 H 8.984 0.004 12.129 1.00 . A A . 1 TRP HE1 1 1 16 8765 1 1 1 TRP HE3 H 4.086 1.972 12.976 1.00 . A A . 1 TRP HE3 1 1 16 8766 1 1 1 TRP HH2 H 5.088 -1.853 14.583 1.00 . A A . 1 TRP HH2 1 1 16 8767 1 1 1 TRP HZ2 H 7.359 -1.728 13.655 1.00 . A A . 1 TRP HZ2 1 1 16 8768 1 1 1 TRP HZ3 H 3.485 -0.044 14.251 1.00 . A A . 1 TRP HZ3 1 1 16 8769 1 1 1 TRP N N 5.817 4.558 13.570 1.00 . A A . 1 TRP N 1 1 16 8770 1 1 1 TRP NE1 N 8.174 0.556 12.153 1.00 . A A . 1 TRP NE1 1 1 16 8771 1 1 1 TRP O O 6.837 6.948 11.391 1.00 . A A . 1 TRP O 1 1 16 8772 1 1 2 CYS C C 3.778 8.347 11.670 1.00 . A A . 2 CYS C 1 1 16 8773 1 1 2 CYS CA C 4.188 7.278 10.664 1.00 . A A . 2 CYS CA 1 1 16 8774 1 1 2 CYS CB C 2.985 6.853 9.816 1.00 . A A . 2 CYS CB 1 1 16 8775 1 1 2 CYS H H 4.154 5.372 11.568 1.00 . A A . 2 CYS H 1 1 16 8776 1 1 2 CYS HA H 4.941 7.693 10.003 1.00 . A A . 2 CYS HA 1 1 16 8777 1 1 2 CYS HB2 H 3.314 6.139 9.075 1.00 . A A . 2 CYS HB2 1 1 16 8778 1 1 2 CYS HB3 H 2.262 6.384 10.459 1.00 . A A . 2 CYS HB3 1 1 16 8779 1 1 2 CYS N N 4.749 6.126 11.344 1.00 . A A . 2 CYS N 1 1 16 8780 1 1 2 CYS O O 3.533 8.033 12.840 1.00 . A A . 2 CYS O 1 1 16 8781 1 1 2 CYS SG S 2.161 8.221 8.934 1.00 . A A . 2 CYS SG 1 1 16 8782 1 1 3 SER C C 1.987 10.427 12.734 1.00 . A A . 3 SER C 1 1 16 8783 1 1 3 SER CA C 3.335 10.707 12.076 1.00 . A A . 3 SER CA 1 1 16 8784 1 1 3 SER CB C 3.272 11.987 11.248 1.00 . A A . 3 SER CB 1 1 16 8785 1 1 3 SER H H 3.969 9.783 10.287 1.00 . A A . 3 SER H 1 1 16 8786 1 1 3 SER HA H 4.085 10.821 12.846 1.00 . A A . 3 SER HA 1 1 16 8787 1 1 3 SER HB2 H 2.801 12.777 11.818 1.00 . A A . 3 SER HB2 1 1 16 8788 1 1 3 SER HB3 H 4.275 12.288 10.985 1.00 . A A . 3 SER HB3 1 1 16 8789 1 1 3 SER HG H 2.664 12.525 9.463 1.00 . A A . 3 SER HG 1 1 16 8790 1 1 3 SER N N 3.727 9.596 11.223 1.00 . A A . 3 SER N 1 1 16 8791 1 1 3 SER O O 1.859 10.452 13.961 1.00 . A A . 3 SER O 1 1 16 8792 1 1 3 SER OG O 2.535 11.779 10.053 1.00 . A A . 3 SER OG 1 1 16 8793 1 1 4 THR C C -0.696 8.387 11.792 1.00 . A A . 4 THR C 1 1 16 8794 1 1 4 THR CA C -0.310 9.736 12.396 1.00 . A A . 4 THR CA 1 1 16 8795 1 1 4 THR CB C -1.387 10.796 12.080 1.00 . A A . 4 THR CB 1 1 16 8796 1 1 4 THR CG2 C -1.235 12.010 12.983 1.00 . A A . 4 THR CG2 1 1 16 8797 1 1 4 THR H H 1.152 10.135 10.938 1.00 . A A . 4 THR H 1 1 16 8798 1 1 4 THR HA H -0.262 9.600 13.472 1.00 . A A . 4 THR HA 1 1 16 8799 1 1 4 THR HB H -2.372 10.377 12.255 1.00 . A A . 4 THR HB 1 1 16 8800 1 1 4 THR HG1 H -2.155 11.540 10.414 1.00 . A A . 4 THR HG1 1 1 16 8801 1 1 4 THR HG21 H -1.340 11.709 14.016 1.00 . A A . 4 THR HG21 1 1 16 8802 1 1 4 THR HG22 H -1.999 12.734 12.741 1.00 . A A . 4 THR HG22 1 1 16 8803 1 1 4 THR HG23 H -0.261 12.453 12.834 1.00 . A A . 4 THR HG23 1 1 16 8804 1 1 4 THR N N 0.990 10.145 11.909 1.00 . A A . 4 THR N 1 1 16 8805 1 1 4 THR O O -0.521 7.342 12.427 1.00 . A A . 4 THR O 1 1 16 8806 1 1 4 THR OG1 O -1.303 11.203 10.704 1.00 . A A . 4 THR OG1 1 1 16 8807 1 1 5 CYS C C -2.467 6.294 10.611 1.00 . A A . 5 CYS C 1 1 16 8808 1 1 5 CYS CA C -1.558 7.221 9.807 1.00 . A A . 5 CYS CA 1 1 16 8809 1 1 5 CYS CB C -0.305 6.477 9.340 1.00 . A A . 5 CYS CB 1 1 16 8810 1 1 5 CYS H H -1.275 9.283 10.086 1.00 . A A . 5 CYS H 1 1 16 8811 1 1 5 CYS HA H -2.112 7.546 8.937 1.00 . A A . 5 CYS HA 1 1 16 8812 1 1 5 CYS HB2 H 0.349 6.350 10.177 1.00 . A A . 5 CYS HB2 1 1 16 8813 1 1 5 CYS HB3 H -0.586 5.499 8.966 1.00 . A A . 5 CYS HB3 1 1 16 8814 1 1 5 CYS N N -1.188 8.424 10.553 1.00 . A A . 5 CYS N 1 1 16 8815 1 1 5 CYS O O -2.101 5.162 10.935 1.00 . A A . 5 CYS O 1 1 16 8816 1 1 5 CYS SG S 0.596 7.326 8.002 1.00 . A A . 5 CYS SG 1 1 16 8817 1 1 6 LEU C C -5.342 5.100 10.532 1.00 . A A . 6 LEU C 1 1 16 8818 1 1 6 LEU CA C -4.668 5.968 11.582 1.00 . A A . 6 LEU CA 1 1 16 8819 1 1 6 LEU CB C -5.700 6.859 12.284 1.00 . A A . 6 LEU CB 1 1 16 8820 1 1 6 LEU CD1 C -6.213 5.312 14.195 1.00 . A A . 6 LEU CD1 1 1 16 8821 1 1 6 LEU CD2 C -7.836 7.105 13.563 1.00 . A A . 6 LEU CD2 1 1 16 8822 1 1 6 LEU CG C -6.800 6.120 13.047 1.00 . A A . 6 LEU CG 1 1 16 8823 1 1 6 LEU H H -3.891 7.700 10.647 1.00 . A A . 6 LEU H 1 1 16 8824 1 1 6 LEU HA H -4.188 5.331 12.314 1.00 . A A . 6 LEU HA 1 1 16 8825 1 1 6 LEU HB2 H -5.170 7.498 12.979 1.00 . A A . 6 LEU HB2 1 1 16 8826 1 1 6 LEU HB3 H -6.165 7.490 11.537 1.00 . A A . 6 LEU HB3 1 1 16 8827 1 1 6 LEU HD11 H -5.678 5.968 14.868 1.00 . A A . 6 LEU HD11 1 1 16 8828 1 1 6 LEU HD12 H -5.535 4.567 13.806 1.00 . A A . 6 LEU HD12 1 1 16 8829 1 1 6 LEU HD13 H -7.009 4.817 14.735 1.00 . A A . 6 LEU HD13 1 1 16 8830 1 1 6 LEU HD21 H -8.622 6.569 14.076 1.00 . A A . 6 LEU HD21 1 1 16 8831 1 1 6 LEU HD22 H -8.263 7.651 12.733 1.00 . A A . 6 LEU HD22 1 1 16 8832 1 1 6 LEU HD23 H -7.370 7.801 14.248 1.00 . A A . 6 LEU HD23 1 1 16 8833 1 1 6 LEU HG H -7.300 5.434 12.380 1.00 . A A . 6 LEU HG 1 1 16 8834 1 1 6 LEU N N -3.654 6.785 10.934 1.00 . A A . 6 LEU N 1 1 16 8835 1 1 6 LEU O O -5.319 3.870 10.608 1.00 . A A . 6 LEU O 1 1 16 8836 1 1 7 ASP C C -6.553 6.035 7.214 1.00 . A A . 7 ASP C 1 1 16 8837 1 1 7 ASP CA C -6.508 5.079 8.394 1.00 . A A . 7 ASP CA 1 1 16 8838 1 1 7 ASP CB C -7.913 4.570 8.712 1.00 . A A . 7 ASP CB 1 1 16 8839 1 1 7 ASP CG C -8.450 3.667 7.620 1.00 . A A . 7 ASP CG 1 1 16 8840 1 1 7 ASP H H -5.887 6.747 9.533 1.00 . A A . 7 ASP H 1 1 16 8841 1 1 7 ASP HA H -5.871 4.234 8.143 1.00 . A A . 7 ASP HA 1 1 16 8842 1 1 7 ASP HB2 H -7.882 4.007 9.633 1.00 . A A . 7 ASP HB2 1 1 16 8843 1 1 7 ASP HB3 H -8.588 5.407 8.831 1.00 . A A . 7 ASP HB3 1 1 16 8844 1 1 7 ASP N N -5.921 5.760 9.537 1.00 . A A . 7 ASP N 1 1 16 8845 1 1 7 ASP O O -7.145 7.111 7.301 1.00 . A A . 7 ASP O 1 1 16 8846 1 1 7 ASP OD1 O -8.078 2.473 7.599 1.00 . A A . 7 ASP OD1 1 1 16 8847 1 1 7 ASP OD2 O -9.241 4.138 6.780 1.00 . A A . 7 ASP OD2 1 1 16 8848 1 1 8 LEU C C -6.923 6.292 3.963 1.00 . A A . 8 LEU C 1 1 16 8849 1 1 8 LEU CA C -5.796 6.527 4.962 1.00 . A A . 8 LEU CA 1 1 16 8850 1 1 8 LEU CB C -4.441 6.310 4.285 1.00 . A A . 8 LEU CB 1 1 16 8851 1 1 8 LEU CD1 C -1.941 6.340 4.386 1.00 . A A . 8 LEU CD1 1 1 16 8852 1 1 8 LEU CD2 C -3.255 7.943 5.786 1.00 . A A . 8 LEU CD2 1 1 16 8853 1 1 8 LEU CG C -3.221 6.546 5.178 1.00 . A A . 8 LEU CG 1 1 16 8854 1 1 8 LEU H H -5.466 4.775 6.102 1.00 . A A . 8 LEU H 1 1 16 8855 1 1 8 LEU HA H -5.856 7.556 5.291 1.00 . A A . 8 LEU HA 1 1 16 8856 1 1 8 LEU HB2 H -4.404 5.287 3.931 1.00 . A A . 8 LEU HB2 1 1 16 8857 1 1 8 LEU HB3 H -4.373 6.961 3.438 1.00 . A A . 8 LEU HB3 1 1 16 8858 1 1 8 LEU HD11 H -1.098 6.434 5.050 1.00 . A A . 8 LEU HD11 1 1 16 8859 1 1 8 LEU HD12 H -1.870 7.082 3.602 1.00 . A A . 8 LEU HD12 1 1 16 8860 1 1 8 LEU HD13 H -1.938 5.351 3.947 1.00 . A A . 8 LEU HD13 1 1 16 8861 1 1 8 LEU HD21 H -2.346 8.119 6.346 1.00 . A A . 8 LEU HD21 1 1 16 8862 1 1 8 LEU HD22 H -4.098 8.029 6.454 1.00 . A A . 8 LEU HD22 1 1 16 8863 1 1 8 LEU HD23 H -3.339 8.682 5.001 1.00 . A A . 8 LEU HD23 1 1 16 8864 1 1 8 LEU HG H -3.231 5.828 5.986 1.00 . A A . 8 LEU HG 1 1 16 8865 1 1 8 LEU N N -5.924 5.649 6.117 1.00 . A A . 8 LEU N 1 1 16 8866 1 1 8 LEU O O -6.674 6.172 2.759 1.00 . A A . 8 LEU O 1 1 16 8867 1 1 9 ALA C C -9.468 6.875 2.471 1.00 . A A . 9 ALA C 1 1 16 8868 1 1 9 ALA CA C -9.349 5.954 3.682 1.00 . A A . 9 ALA CA 1 1 16 8869 1 1 9 ALA CB C -10.594 6.061 4.548 1.00 . A A . 9 ALA CB 1 1 16 8870 1 1 9 ALA H H -8.272 6.364 5.443 1.00 . A A . 9 ALA H 1 1 16 8871 1 1 9 ALA HA H -9.271 4.933 3.341 1.00 . A A . 9 ALA HA 1 1 16 8872 1 1 9 ALA HB1 H -10.581 6.999 5.082 1.00 . A A . 9 ALA HB1 1 1 16 8873 1 1 9 ALA HB2 H -10.613 5.249 5.252 1.00 . A A . 9 ALA HB2 1 1 16 8874 1 1 9 ALA HB3 H -11.482 6.012 3.930 1.00 . A A . 9 ALA HB3 1 1 16 8875 1 1 9 ALA N N -8.155 6.242 4.480 1.00 . A A . 9 ALA N 1 1 16 8876 1 1 9 ALA O O -10.164 7.892 2.505 1.00 . A A . 9 ALA O 1 1 16 8877 1 1 10 CYS C C -8.176 8.644 0.406 1.00 . A A . 10 CYS C 1 1 16 8878 1 1 10 CYS CA C -8.730 7.246 0.172 1.00 . A A . 10 CYS CA 1 1 16 8879 1 1 10 CYS CB C -10.102 7.295 -0.505 1.00 . A A . 10 CYS CB 1 1 16 8880 1 1 10 CYS H H -8.233 5.676 1.474 1.00 . A A . 10 CYS H 1 1 16 8881 1 1 10 CYS HA H -8.026 6.757 -0.483 1.00 . A A . 10 CYS HA 1 1 16 8882 1 1 10 CYS HB2 H -10.867 7.483 0.229 1.00 . A A . 10 CYS HB2 1 1 16 8883 1 1 10 CYS HB3 H -10.119 8.090 -1.240 1.00 . A A . 10 CYS HB3 1 1 16 8884 1 1 10 CYS N N -8.777 6.491 1.410 1.00 . A A . 10 CYS N 1 1 16 8885 1 1 10 CYS O O -8.785 9.646 0.027 1.00 . A A . 10 CYS O 1 1 16 8886 1 1 10 CYS SG S -10.548 5.756 -1.383 1.00 . A A . 10 CYS SG 1 1 16 8887 1 1 11 THR C C -5.492 10.178 -0.148 1.00 . A A . 11 THR C 1 1 16 8888 1 1 11 THR CA C -6.269 9.950 1.144 1.00 . A A . 11 THR CA 1 1 16 8889 1 1 11 THR CB C -5.289 9.930 2.334 1.00 . A A . 11 THR CB 1 1 16 8890 1 1 11 THR CG2 C -6.039 9.947 3.659 1.00 . A A . 11 THR CG2 1 1 16 8891 1 1 11 THR H H -6.573 7.868 1.332 1.00 . A A . 11 THR H 1 1 16 8892 1 1 11 THR HA H -6.969 10.769 1.275 1.00 . A A . 11 THR HA 1 1 16 8893 1 1 11 THR HB H -4.656 10.810 2.299 1.00 . A A . 11 THR HB 1 1 16 8894 1 1 11 THR HG1 H -3.632 8.928 2.728 1.00 . A A . 11 THR HG1 1 1 16 8895 1 1 11 THR HG21 H -6.640 10.843 3.724 1.00 . A A . 11 THR HG21 1 1 16 8896 1 1 11 THR HG22 H -5.329 9.932 4.473 1.00 . A A . 11 THR HG22 1 1 16 8897 1 1 11 THR HG23 H -6.678 9.078 3.725 1.00 . A A . 11 THR HG23 1 1 16 8898 1 1 11 THR N N -7.012 8.705 1.047 1.00 . A A . 11 THR N 1 1 16 8899 1 1 11 THR O O -4.852 11.213 -0.339 1.00 . A A . 11 THR O 1 1 16 8900 1 1 11 THR OG1 O -4.458 8.764 2.265 1.00 . A A . 11 THR OG1 1 1 16 8901 1 1 12 GLY C C -3.883 8.017 -2.298 1.00 . A A . 12 GLY C 1 1 16 8902 1 1 12 GLY CA C -4.821 9.200 -2.257 1.00 . A A . 12 GLY CA 1 1 16 8903 1 1 12 GLY H H -6.104 8.397 -0.843 1.00 . A A . 12 GLY H 1 1 16 8904 1 1 12 GLY HA2 H -5.509 9.146 -3.090 1.00 . A A . 12 GLY HA2 1 1 16 8905 1 1 12 GLY HA3 H -4.238 10.109 -2.347 1.00 . A A . 12 GLY HA3 1 1 16 8906 1 1 12 GLY N N -5.581 9.195 -1.033 1.00 . A A . 12 GLY N 1 1 16 8907 1 1 12 GLY O O -3.133 7.793 -1.351 1.00 . A A . 12 GLY O 1 1 16 8908 1 1 13 SER C C -1.603 6.524 -3.478 1.00 . A A . 13 SER C 1 1 16 8909 1 1 13 SER CA C -3.067 6.081 -3.496 1.00 . A A . 13 SER CA 1 1 16 8910 1 1 13 SER CB C -3.397 5.313 -4.777 1.00 . A A . 13 SER CB 1 1 16 8911 1 1 13 SER H H -4.579 7.447 -4.087 1.00 . A A . 13 SER H 1 1 16 8912 1 1 13 SER HA H -3.241 5.431 -2.647 1.00 . A A . 13 SER HA 1 1 16 8913 1 1 13 SER HB2 H -3.187 5.934 -5.637 1.00 . A A . 13 SER HB2 1 1 16 8914 1 1 13 SER HB3 H -2.796 4.417 -4.824 1.00 . A A . 13 SER HB3 1 1 16 8915 1 1 13 SER HG H -5.293 5.661 -5.169 1.00 . A A . 13 SER HG 1 1 16 8916 1 1 13 SER N N -3.940 7.237 -3.364 1.00 . A A . 13 SER N 1 1 16 8917 1 1 13 SER O O -0.772 5.927 -2.795 1.00 . A A . 13 SER O 1 1 16 8918 1 1 13 SER OG O -4.771 4.944 -4.800 1.00 . A A . 13 SER OG 1 1 16 8919 1 1 14 LYS C C 0.404 8.724 -2.828 1.00 . A A . 14 LYS C 1 1 16 8920 1 1 14 LYS CA C 0.032 8.180 -4.210 1.00 . A A . 14 LYS CA 1 1 16 8921 1 1 14 LYS CB C 0.124 9.279 -5.272 1.00 . A A . 14 LYS CB 1 1 16 8922 1 1 14 LYS CD C -0.957 11.254 -6.377 1.00 . A A . 14 LYS CD 1 1 16 8923 1 1 14 LYS CE C -2.109 12.242 -6.336 1.00 . A A . 14 LYS CE 1 1 16 8924 1 1 14 LYS CG C -0.991 10.306 -5.191 1.00 . A A . 14 LYS CG 1 1 16 8925 1 1 14 LYS H H -2.025 8.025 -4.713 1.00 . A A . 14 LYS H 1 1 16 8926 1 1 14 LYS HA H 0.717 7.414 -4.461 1.00 . A A . 14 LYS HA 1 1 16 8927 1 1 14 LYS HB2 H 1.071 9.795 -5.174 1.00 . A A . 14 LYS HB2 1 1 16 8928 1 1 14 LYS HB3 H 0.084 8.809 -6.246 1.00 . A A . 14 LYS HB3 1 1 16 8929 1 1 14 LYS HD2 H -0.028 11.804 -6.362 1.00 . A A . 14 LYS HD2 1 1 16 8930 1 1 14 LYS HD3 H -1.023 10.680 -7.292 1.00 . A A . 14 LYS HD3 1 1 16 8931 1 1 14 LYS HE2 H -3.042 11.696 -6.315 1.00 . A A . 14 LYS HE2 1 1 16 8932 1 1 14 LYS HE3 H -2.023 12.844 -5.442 1.00 . A A . 14 LYS HE3 1 1 16 8933 1 1 14 LYS HG2 H -1.947 9.811 -5.182 1.00 . A A . 14 LYS HG2 1 1 16 8934 1 1 14 LYS HG3 H -0.871 10.879 -4.283 1.00 . A A . 14 LYS HG3 1 1 16 8935 1 1 14 LYS HZ1 H -2.196 12.579 -8.396 1.00 . A A . 14 LYS HZ1 1 1 16 8936 1 1 14 LYS HZ2 H -1.220 13.683 -7.559 1.00 . A A . 14 LYS HZ2 1 1 16 8937 1 1 14 LYS HZ3 H -2.903 13.801 -7.464 1.00 . A A . 14 LYS HZ3 1 1 16 8938 1 1 14 LYS N N -1.307 7.596 -4.205 1.00 . A A . 14 LYS N 1 1 16 8939 1 1 14 LYS NZ N -2.105 13.136 -7.520 1.00 . A A . 14 LYS NZ 1 1 16 8940 1 1 14 LYS O O 1.584 8.838 -2.494 1.00 . A A . 14 LYS O 1 1 16 8941 1 1 15 ASP C C -0.029 8.234 0.192 1.00 . A A . 15 ASP C 1 1 16 8942 1 1 15 ASP CA C -0.390 9.451 -0.645 1.00 . A A . 15 ASP CA 1 1 16 8943 1 1 15 ASP CB C -1.642 10.123 -0.068 1.00 . A A . 15 ASP CB 1 1 16 8944 1 1 15 ASP CG C -1.453 10.559 1.368 1.00 . A A . 15 ASP CG 1 1 16 8945 1 1 15 ASP H H -1.522 8.942 -2.339 1.00 . A A . 15 ASP H 1 1 16 8946 1 1 15 ASP HA H 0.433 10.155 -0.616 1.00 . A A . 15 ASP HA 1 1 16 8947 1 1 15 ASP HB2 H -1.876 10.996 -0.657 1.00 . A A . 15 ASP HB2 1 1 16 8948 1 1 15 ASP HB3 H -2.471 9.443 -0.105 1.00 . A A . 15 ASP HB3 1 1 16 8949 1 1 15 ASP N N -0.608 9.043 -2.028 1.00 . A A . 15 ASP N 1 1 16 8950 1 1 15 ASP O O 0.951 8.244 0.935 1.00 . A A . 15 ASP O 1 1 16 8951 1 1 15 ASP OD1 O -0.757 11.573 1.597 1.00 . A A . 15 ASP OD1 1 1 16 8952 1 1 15 ASP OD2 O -1.993 9.890 2.274 1.00 . A A . 15 ASP OD2 1 1 16 8953 1 1 16 CYS C C 0.780 5.337 0.399 1.00 . A A . 16 CYS C 1 1 16 8954 1 1 16 CYS CA C -0.587 5.917 0.739 1.00 . A A . 16 CYS CA 1 1 16 8955 1 1 16 CYS CB C -1.670 4.894 0.390 1.00 . A A . 16 CYS CB 1 1 16 8956 1 1 16 CYS H H -1.577 7.231 -0.590 1.00 . A A . 16 CYS H 1 1 16 8957 1 1 16 CYS HA H -0.625 6.114 1.801 1.00 . A A . 16 CYS HA 1 1 16 8958 1 1 16 CYS HB2 H -1.671 4.732 -0.678 1.00 . A A . 16 CYS HB2 1 1 16 8959 1 1 16 CYS HB3 H -1.452 3.958 0.889 1.00 . A A . 16 CYS HB3 1 1 16 8960 1 1 16 CYS N N -0.820 7.175 0.038 1.00 . A A . 16 CYS N 1 1 16 8961 1 1 16 CYS O O 1.375 4.636 1.214 1.00 . A A . 16 CYS O 1 1 16 8962 1 1 16 CYS SG S -3.359 5.383 0.867 1.00 . A A . 16 CYS SG 1 1 16 8963 1 1 17 TYR C C 3.686 5.420 -0.241 1.00 . A A . 17 TYR C 1 1 16 8964 1 1 17 TYR CA C 2.576 5.136 -1.255 1.00 . A A . 17 TYR CA 1 1 16 8965 1 1 17 TYR CB C 2.960 5.747 -2.608 1.00 . A A . 17 TYR CB 1 1 16 8966 1 1 17 TYR CD1 C 1.416 4.050 -3.667 1.00 . A A . 17 TYR CD1 1 1 16 8967 1 1 17 TYR CD2 C 2.235 5.824 -5.029 1.00 . A A . 17 TYR CD2 1 1 16 8968 1 1 17 TYR CE1 C 0.715 3.544 -4.742 1.00 . A A . 17 TYR CE1 1 1 16 8969 1 1 17 TYR CE2 C 1.534 5.322 -6.110 1.00 . A A . 17 TYR CE2 1 1 16 8970 1 1 17 TYR CG C 2.189 5.197 -3.789 1.00 . A A . 17 TYR CG 1 1 16 8971 1 1 17 TYR CZ C 0.775 4.181 -5.958 1.00 . A A . 17 TYR CZ 1 1 16 8972 1 1 17 TYR H H 0.751 6.193 -1.420 1.00 . A A . 17 TYR H 1 1 16 8973 1 1 17 TYR HA H 2.509 4.067 -1.345 1.00 . A A . 17 TYR HA 1 1 16 8974 1 1 17 TYR HB2 H 2.795 6.808 -2.569 1.00 . A A . 17 TYR HB2 1 1 16 8975 1 1 17 TYR HB3 H 4.012 5.566 -2.800 1.00 . A A . 17 TYR HB3 1 1 16 8976 1 1 17 TYR HD1 H 1.350 3.532 -2.729 1.00 . A A . 17 TYR HD1 1 1 16 8977 1 1 17 TYR HD2 H 2.831 6.719 -5.147 1.00 . A A . 17 TYR HD2 1 1 16 8978 1 1 17 TYR HE1 H 0.123 2.682 -4.640 1.00 . A A . 17 TYR HE1 1 1 16 8979 1 1 17 TYR HE2 H 1.582 5.823 -7.065 1.00 . A A . 17 TYR HE2 1 1 16 8980 1 1 17 TYR HH H 0.608 3.032 -7.494 1.00 . A A . 17 TYR HH 1 1 16 8981 1 1 17 TYR N N 1.274 5.633 -0.803 1.00 . A A . 17 TYR N 1 1 16 8982 1 1 17 TYR O O 4.531 4.560 0.009 1.00 . A A . 17 TYR O 1 1 16 8983 1 1 17 TYR OH O 0.067 3.673 -7.027 1.00 . A A . 17 TYR OH 1 1 16 8984 1 1 18 ALA C C 4.786 6.139 2.528 1.00 . A A . 18 ALA C 1 1 16 8985 1 1 18 ALA CA C 4.729 7.022 1.268 1.00 . A A . 18 ALA CA 1 1 16 8986 1 1 18 ALA CB C 4.602 8.497 1.630 1.00 . A A . 18 ALA CB 1 1 16 8987 1 1 18 ALA H H 2.955 7.254 0.124 1.00 . A A . 18 ALA H 1 1 16 8988 1 1 18 ALA HA H 5.670 6.905 0.741 1.00 . A A . 18 ALA HA 1 1 16 8989 1 1 18 ALA HB1 H 4.738 8.643 2.694 1.00 . A A . 18 ALA HB1 1 1 16 8990 1 1 18 ALA HB2 H 3.630 8.872 1.344 1.00 . A A . 18 ALA HB2 1 1 16 8991 1 1 18 ALA HB3 H 5.361 9.055 1.101 1.00 . A A . 18 ALA HB3 1 1 16 8992 1 1 18 ALA N N 3.667 6.611 0.353 1.00 . A A . 18 ALA N 1 1 16 8993 1 1 18 ALA O O 5.805 5.494 2.774 1.00 . A A . 18 ALA O 1 1 16 8994 1 1 19 PRO C C 3.704 3.759 4.221 1.00 . A A . 19 PRO C 1 1 16 8995 1 1 19 PRO CA C 3.700 5.242 4.556 1.00 . A A . 19 PRO CA 1 1 16 8996 1 1 19 PRO CB C 2.397 5.627 5.273 1.00 . A A . 19 PRO CB 1 1 16 8997 1 1 19 PRO CD C 2.409 6.731 3.164 1.00 . A A . 19 PRO CD 1 1 16 8998 1 1 19 PRO CG C 1.907 6.845 4.569 1.00 . A A . 19 PRO CG 1 1 16 8999 1 1 19 PRO HA H 4.540 5.472 5.189 1.00 . A A . 19 PRO HA 1 1 16 9000 1 1 19 PRO HB2 H 1.670 4.826 5.211 1.00 . A A . 19 PRO HB2 1 1 16 9001 1 1 19 PRO HB3 H 2.610 5.839 6.310 1.00 . A A . 19 PRO HB3 1 1 16 9002 1 1 19 PRO HD2 H 1.738 6.142 2.600 1.00 . A A . 19 PRO HD2 1 1 16 9003 1 1 19 PRO HD3 H 2.513 7.703 2.738 1.00 . A A . 19 PRO HD3 1 1 16 9004 1 1 19 PRO HG2 H 0.833 6.871 4.580 1.00 . A A . 19 PRO HG2 1 1 16 9005 1 1 19 PRO HG3 H 2.310 7.729 5.040 1.00 . A A . 19 PRO HG3 1 1 16 9006 1 1 19 PRO N N 3.703 6.062 3.343 1.00 . A A . 19 PRO N 1 1 16 9007 1 1 19 PRO O O 4.179 2.936 5.002 1.00 . A A . 19 PRO O 1 1 16 9008 1 1 20 CYS C C 4.619 1.573 2.433 1.00 . A A . 20 CYS C 1 1 16 9009 1 1 20 CYS CA C 3.183 2.046 2.581 1.00 . A A . 20 CYS CA 1 1 16 9010 1 1 20 CYS CB C 2.443 1.919 1.247 1.00 . A A . 20 CYS CB 1 1 16 9011 1 1 20 CYS H H 2.811 4.116 2.456 1.00 . A A . 20 CYS H 1 1 16 9012 1 1 20 CYS HA H 2.686 1.435 3.325 1.00 . A A . 20 CYS HA 1 1 16 9013 1 1 20 CYS HB2 H 1.482 2.392 1.341 1.00 . A A . 20 CYS HB2 1 1 16 9014 1 1 20 CYS HB3 H 3.007 2.411 0.466 1.00 . A A . 20 CYS HB3 1 1 16 9015 1 1 20 CYS N N 3.178 3.422 3.048 1.00 . A A . 20 CYS N 1 1 16 9016 1 1 20 CYS O O 5.006 0.560 3.005 1.00 . A A . 20 CYS O 1 1 16 9017 1 1 20 CYS SG S 2.134 0.205 0.721 1.00 . A A . 20 CYS SG 1 1 16 9018 1 1 21 ARG C C 7.536 2.069 2.885 1.00 . A A . 21 ARG C 1 1 16 9019 1 1 21 ARG CA C 6.830 2.016 1.536 1.00 . A A . 21 ARG CA 1 1 16 9020 1 1 21 ARG CB C 7.483 2.999 0.562 1.00 . A A . 21 ARG CB 1 1 16 9021 1 1 21 ARG CD C 9.573 3.830 -0.536 1.00 . A A . 21 ARG CD 1 1 16 9022 1 1 21 ARG CG C 8.978 2.797 0.405 1.00 . A A . 21 ARG CG 1 1 16 9023 1 1 21 ARG CZ C 11.716 3.965 -1.749 1.00 . A A . 21 ARG CZ 1 1 16 9024 1 1 21 ARG H H 5.058 3.152 1.279 1.00 . A A . 21 ARG H 1 1 16 9025 1 1 21 ARG HA H 6.914 1.015 1.134 1.00 . A A . 21 ARG HA 1 1 16 9026 1 1 21 ARG HB2 H 7.015 2.886 -0.393 1.00 . A A . 21 ARG HB2 1 1 16 9027 1 1 21 ARG HB3 H 7.309 4.005 0.921 1.00 . A A . 21 ARG HB3 1 1 16 9028 1 1 21 ARG HD2 H 9.111 3.693 -1.501 1.00 . A A . 21 ARG HD2 1 1 16 9029 1 1 21 ARG HD3 H 9.340 4.820 -0.165 1.00 . A A . 21 ARG HD3 1 1 16 9030 1 1 21 ARG HE H 11.514 3.396 0.154 1.00 . A A . 21 ARG HE 1 1 16 9031 1 1 21 ARG HG2 H 9.462 2.894 1.364 1.00 . A A . 21 ARG HG2 1 1 16 9032 1 1 21 ARG HG3 H 9.160 1.811 0.004 1.00 . A A . 21 ARG HG3 1 1 16 9033 1 1 21 ARG HH11 H 10.110 4.521 -2.868 1.00 . A A . 21 ARG HH11 1 1 16 9034 1 1 21 ARG HH12 H 11.629 4.583 -3.668 1.00 . A A . 21 ARG HH12 1 1 16 9035 1 1 21 ARG HH21 H 13.511 3.506 -0.936 1.00 . A A . 21 ARG HH21 1 1 16 9036 1 1 21 ARG HH22 H 13.557 4.020 -2.590 1.00 . A A . 21 ARG HH22 1 1 16 9037 1 1 21 ARG N N 5.418 2.331 1.694 1.00 . A A . 21 ARG N 1 1 16 9038 1 1 21 ARG NE N 11.023 3.697 -0.646 1.00 . A A . 21 ARG NE 1 1 16 9039 1 1 21 ARG NH1 N 11.095 4.389 -2.842 1.00 . A A . 21 ARG NH1 1 1 16 9040 1 1 21 ARG NH2 N 13.033 3.819 -1.759 1.00 . A A . 21 ARG NH2 1 1 16 9041 1 1 21 ARG O O 8.241 1.139 3.269 1.00 . A A . 21 ARG O 1 1 16 9042 1 1 22 LYS C C 7.725 2.269 5.891 1.00 . A A . 22 LYS C 1 1 16 9043 1 1 22 LYS CA C 7.943 3.417 4.893 1.00 . A A . 22 LYS CA 1 1 16 9044 1 1 22 LYS CB C 7.395 4.733 5.461 1.00 . A A . 22 LYS CB 1 1 16 9045 1 1 22 LYS CD C 7.534 6.556 7.174 1.00 . A A . 22 LYS CD 1 1 16 9046 1 1 22 LYS CE C 8.161 7.024 8.478 1.00 . A A . 22 LYS CE 1 1 16 9047 1 1 22 LYS CG C 8.056 5.192 6.747 1.00 . A A . 22 LYS CG 1 1 16 9048 1 1 22 LYS H H 6.704 3.851 3.236 1.00 . A A . 22 LYS H 1 1 16 9049 1 1 22 LYS HA H 9.003 3.529 4.719 1.00 . A A . 22 LYS HA 1 1 16 9050 1 1 22 LYS HB2 H 7.525 5.506 4.716 1.00 . A A . 22 LYS HB2 1 1 16 9051 1 1 22 LYS HB3 H 6.341 4.608 5.651 1.00 . A A . 22 LYS HB3 1 1 16 9052 1 1 22 LYS HD2 H 7.763 7.278 6.403 1.00 . A A . 22 LYS HD2 1 1 16 9053 1 1 22 LYS HD3 H 6.462 6.498 7.306 1.00 . A A . 22 LYS HD3 1 1 16 9054 1 1 22 LYS HE2 H 7.722 7.972 8.750 1.00 . A A . 22 LYS HE2 1 1 16 9055 1 1 22 LYS HE3 H 7.946 6.298 9.250 1.00 . A A . 22 LYS HE3 1 1 16 9056 1 1 22 LYS HG2 H 7.846 4.474 7.527 1.00 . A A . 22 LYS HG2 1 1 16 9057 1 1 22 LYS HG3 H 9.123 5.255 6.588 1.00 . A A . 22 LYS HG3 1 1 16 9058 1 1 22 LYS HZ1 H 10.005 7.635 9.236 1.00 . A A . 22 LYS HZ1 1 1 16 9059 1 1 22 LYS HZ2 H 9.877 7.801 7.559 1.00 . A A . 22 LYS HZ2 1 1 16 9060 1 1 22 LYS HZ3 H 10.097 6.269 8.247 1.00 . A A . 22 LYS HZ3 1 1 16 9061 1 1 22 LYS N N 7.302 3.158 3.606 1.00 . A A . 22 LYS N 1 1 16 9062 1 1 22 LYS NZ N 9.636 7.193 8.370 1.00 . A A . 22 LYS NZ 1 1 16 9063 1 1 22 LYS O O 8.630 1.909 6.645 1.00 . A A . 22 LYS O 1 1 16 9064 1 1 23 GLN C C 6.291 -0.748 6.274 1.00 . A A . 23 GLN C 1 1 16 9065 1 1 23 GLN CA C 6.189 0.659 6.860 1.00 . A A . 23 GLN CA 1 1 16 9066 1 1 23 GLN CB C 4.782 0.893 7.411 1.00 . A A . 23 GLN CB 1 1 16 9067 1 1 23 GLN CD C 3.243 2.438 8.687 1.00 . A A . 23 GLN CD 1 1 16 9068 1 1 23 GLN CG C 4.647 2.199 8.178 1.00 . A A . 23 GLN CG 1 1 16 9069 1 1 23 GLN H H 5.835 1.997 5.259 1.00 . A A . 23 GLN H 1 1 16 9070 1 1 23 GLN HA H 6.884 0.719 7.691 1.00 . A A . 23 GLN HA 1 1 16 9071 1 1 23 GLN HB2 H 4.084 0.907 6.586 1.00 . A A . 23 GLN HB2 1 1 16 9072 1 1 23 GLN HB3 H 4.522 0.082 8.080 1.00 . A A . 23 GLN HB3 1 1 16 9073 1 1 23 GLN HE21 H 3.660 1.461 10.377 1.00 . A A . 23 GLN HE21 1 1 16 9074 1 1 23 GLN HE22 H 2.058 2.091 10.232 1.00 . A A . 23 GLN HE22 1 1 16 9075 1 1 23 GLN HG2 H 5.326 2.180 9.019 1.00 . A A . 23 GLN HG2 1 1 16 9076 1 1 23 GLN HG3 H 4.917 3.014 7.521 1.00 . A A . 23 GLN HG3 1 1 16 9077 1 1 23 GLN N N 6.530 1.688 5.886 1.00 . A A . 23 GLN N 1 1 16 9078 1 1 23 GLN NE2 N 2.962 1.948 9.882 1.00 . A A . 23 GLN NE2 1 1 16 9079 1 1 23 GLN O O 6.911 -1.627 6.874 1.00 . A A . 23 GLN O 1 1 16 9080 1 1 23 GLN OE1 O 2.419 3.051 8.009 1.00 . A A . 23 GLN OE1 1 1 16 9081 1 1 24 THR C C 6.894 -2.637 3.759 1.00 . A A . 24 THR C 1 1 16 9082 1 1 24 THR CA C 5.622 -2.303 4.531 1.00 . A A . 24 THR CA 1 1 16 9083 1 1 24 THR CB C 4.404 -2.467 3.588 1.00 . A A . 24 THR CB 1 1 16 9084 1 1 24 THR CG2 C 3.173 -1.770 4.161 1.00 . A A . 24 THR CG2 1 1 16 9085 1 1 24 THR H H 5.232 -0.217 4.661 1.00 . A A . 24 THR H 1 1 16 9086 1 1 24 THR HA H 5.520 -3.017 5.341 1.00 . A A . 24 THR HA 1 1 16 9087 1 1 24 THR HB H 4.177 -3.519 3.482 1.00 . A A . 24 THR HB 1 1 16 9088 1 1 24 THR HG1 H 4.140 -2.350 1.631 1.00 . A A . 24 THR HG1 1 1 16 9089 1 1 24 THR HG21 H 3.271 -0.703 4.060 1.00 . A A . 24 THR HG21 1 1 16 9090 1 1 24 THR HG22 H 3.057 -2.023 5.206 1.00 . A A . 24 THR HG22 1 1 16 9091 1 1 24 THR HG23 H 2.298 -2.098 3.620 1.00 . A A . 24 THR HG23 1 1 16 9092 1 1 24 THR N N 5.695 -0.963 5.106 1.00 . A A . 24 THR N 1 1 16 9093 1 1 24 THR O O 7.269 -3.803 3.635 1.00 . A A . 24 THR O 1 1 16 9094 1 1 24 THR OG1 O 4.695 -1.926 2.291 1.00 . A A . 24 THR OG1 1 1 16 9095 1 1 25 GLY C C 8.470 -1.636 0.968 1.00 . A A . 25 GLY C 1 1 16 9096 1 1 25 GLY CA C 8.751 -1.809 2.447 1.00 . A A . 25 GLY CA 1 1 16 9097 1 1 25 GLY H H 7.242 -0.686 3.385 1.00 . A A . 25 GLY H 1 1 16 9098 1 1 25 GLY HA2 H 9.493 -1.080 2.739 1.00 . A A . 25 GLY HA2 1 1 16 9099 1 1 25 GLY HA3 H 9.161 -2.798 2.611 1.00 . A A . 25 GLY HA3 1 1 16 9100 1 1 25 GLY N N 7.567 -1.603 3.257 1.00 . A A . 25 GLY N 1 1 16 9101 1 1 25 GLY O O 9.373 -1.345 0.183 1.00 . A A . 25 GLY O 1 1 16 9102 1 1 26 CYS C C 5.913 -0.477 -0.996 1.00 . A A . 26 CYS C 1 1 16 9103 1 1 26 CYS CA C 6.809 -1.696 -0.801 1.00 . A A . 26 CYS CA 1 1 16 9104 1 1 26 CYS CB C 6.085 -2.971 -1.239 1.00 . A A . 26 CYS CB 1 1 16 9105 1 1 26 CYS H H 6.525 -2.034 1.245 1.00 . A A . 26 CYS H 1 1 16 9106 1 1 26 CYS HA H 7.697 -1.596 -1.402 1.00 . A A . 26 CYS HA 1 1 16 9107 1 1 26 CYS HB2 H 5.274 -3.170 -0.555 1.00 . A A . 26 CYS HB2 1 1 16 9108 1 1 26 CYS HB3 H 5.681 -2.830 -2.234 1.00 . A A . 26 CYS HB3 1 1 16 9109 1 1 26 CYS N N 7.216 -1.809 0.591 1.00 . A A . 26 CYS N 1 1 16 9110 1 1 26 CYS O O 4.995 -0.246 -0.218 1.00 . A A . 26 CYS O 1 1 16 9111 1 1 26 CYS SG S 7.153 -4.453 -1.291 1.00 . A A . 26 CYS SG 1 1 16 9112 1 1 27 PRO C C 4.238 1.401 -3.191 1.00 . A A . 27 PRO C 1 1 16 9113 1 1 27 PRO CA C 5.457 1.576 -2.292 1.00 . A A . 27 PRO CA 1 1 16 9114 1 1 27 PRO CB C 6.518 2.390 -3.015 1.00 . A A . 27 PRO CB 1 1 16 9115 1 1 27 PRO CD C 7.220 0.097 -3.055 1.00 . A A . 27 PRO CD 1 1 16 9116 1 1 27 PRO CG C 7.218 1.377 -3.855 1.00 . A A . 27 PRO CG 1 1 16 9117 1 1 27 PRO HA H 5.171 2.082 -1.380 1.00 . A A . 27 PRO HA 1 1 16 9118 1 1 27 PRO HB2 H 6.070 3.171 -3.616 1.00 . A A . 27 PRO HB2 1 1 16 9119 1 1 27 PRO HB3 H 7.194 2.829 -2.306 1.00 . A A . 27 PRO HB3 1 1 16 9120 1 1 27 PRO HD2 H 6.968 -0.744 -3.685 1.00 . A A . 27 PRO HD2 1 1 16 9121 1 1 27 PRO HD3 H 8.186 -0.046 -2.597 1.00 . A A . 27 PRO HD3 1 1 16 9122 1 1 27 PRO HG2 H 6.683 1.238 -4.783 1.00 . A A . 27 PRO HG2 1 1 16 9123 1 1 27 PRO HG3 H 8.231 1.698 -4.049 1.00 . A A . 27 PRO HG3 1 1 16 9124 1 1 27 PRO N N 6.178 0.327 -2.037 1.00 . A A . 27 PRO N 1 1 16 9125 1 1 27 PRO O O 3.822 2.339 -3.867 1.00 . A A . 27 PRO O 1 1 16 9126 1 1 28 ASN C C 1.258 -0.266 -3.240 1.00 . A A . 28 ASN C 1 1 16 9127 1 1 28 ASN CA C 2.526 -0.075 -4.063 1.00 . A A . 28 ASN CA 1 1 16 9128 1 1 28 ASN CB C 2.770 -1.302 -4.951 1.00 . A A . 28 ASN CB 1 1 16 9129 1 1 28 ASN CG C 3.761 -1.029 -6.071 1.00 . A A . 28 ASN CG 1 1 16 9130 1 1 28 ASN H H 4.029 -0.525 -2.669 1.00 . A A . 28 ASN H 1 1 16 9131 1 1 28 ASN HA H 2.370 0.777 -4.721 1.00 . A A . 28 ASN HA 1 1 16 9132 1 1 28 ASN HB2 H 3.162 -2.103 -4.342 1.00 . A A . 28 ASN HB2 1 1 16 9133 1 1 28 ASN HB3 H 1.832 -1.620 -5.393 1.00 . A A . 28 ASN HB3 1 1 16 9134 1 1 28 ASN HD21 H 2.742 -2.224 -7.307 1.00 . A A . 28 ASN HD21 1 1 16 9135 1 1 28 ASN HD22 H 4.154 -1.473 -7.959 1.00 . A A . 28 ASN HD22 1 1 16 9136 1 1 28 ASN N N 3.677 0.204 -3.211 1.00 . A A . 28 ASN N 1 1 16 9137 1 1 28 ASN ND2 N 3.527 -1.636 -7.224 1.00 . A A . 28 ASN ND2 1 1 16 9138 1 1 28 ASN O O 1.093 -1.275 -2.547 1.00 . A A . 28 ASN O 1 1 16 9139 1 1 28 ASN OD1 O 4.716 -0.267 -5.912 1.00 . A A . 28 ASN OD1 1 1 16 9140 1 1 29 ALA C C -2.029 1.205 -3.495 1.00 . A A . 29 ALA C 1 1 16 9141 1 1 29 ALA CA C -0.899 0.692 -2.608 1.00 . A A . 29 ALA CA 1 1 16 9142 1 1 29 ALA CB C -0.794 1.536 -1.345 1.00 . A A . 29 ALA CB 1 1 16 9143 1 1 29 ALA H H 0.557 1.452 -3.893 1.00 . A A . 29 ALA H 1 1 16 9144 1 1 29 ALA HA H -1.129 -0.326 -2.316 1.00 . A A . 29 ALA HA 1 1 16 9145 1 1 29 ALA HB1 H -1.736 1.515 -0.813 1.00 . A A . 29 ALA HB1 1 1 16 9146 1 1 29 ALA HB2 H -0.552 2.555 -1.608 1.00 . A A . 29 ALA HB2 1 1 16 9147 1 1 29 ALA HB3 H -0.026 1.141 -0.720 1.00 . A A . 29 ALA HB3 1 1 16 9148 1 1 29 ALA N N 0.363 0.711 -3.334 1.00 . A A . 29 ALA N 1 1 16 9149 1 1 29 ALA O O -1.779 1.764 -4.563 1.00 . A A . 29 ALA O 1 1 16 9150 1 1 30 LYS C C -5.650 1.548 -2.908 1.00 . A A . 30 LYS C 1 1 16 9151 1 1 30 LYS CA C -4.427 1.475 -3.813 1.00 . A A . 30 LYS CA 1 1 16 9152 1 1 30 LYS CB C -4.705 0.546 -5.005 1.00 . A A . 30 LYS CB 1 1 16 9153 1 1 30 LYS CD C -5.584 2.328 -6.553 1.00 . A A . 30 LYS CD 1 1 16 9154 1 1 30 LYS CE C -6.749 2.789 -7.416 1.00 . A A . 30 LYS CE 1 1 16 9155 1 1 30 LYS CG C -5.863 0.988 -5.889 1.00 . A A . 30 LYS CG 1 1 16 9156 1 1 30 LYS H H -3.407 0.534 -2.206 1.00 . A A . 30 LYS H 1 1 16 9157 1 1 30 LYS HA H -4.205 2.469 -4.181 1.00 . A A . 30 LYS HA 1 1 16 9158 1 1 30 LYS HB2 H -3.814 0.489 -5.615 1.00 . A A . 30 LYS HB2 1 1 16 9159 1 1 30 LYS HB3 H -4.928 -0.441 -4.628 1.00 . A A . 30 LYS HB3 1 1 16 9160 1 1 30 LYS HD2 H -5.419 3.064 -5.797 1.00 . A A . 30 LYS HD2 1 1 16 9161 1 1 30 LYS HD3 H -4.704 2.239 -7.174 1.00 . A A . 30 LYS HD3 1 1 16 9162 1 1 30 LYS HE2 H -7.650 2.801 -6.818 1.00 . A A . 30 LYS HE2 1 1 16 9163 1 1 30 LYS HE3 H -6.542 3.790 -7.766 1.00 . A A . 30 LYS HE3 1 1 16 9164 1 1 30 LYS HG2 H -6.008 0.243 -6.657 1.00 . A A . 30 LYS HG2 1 1 16 9165 1 1 30 LYS HG3 H -6.760 1.066 -5.292 1.00 . A A . 30 LYS HG3 1 1 16 9166 1 1 30 LYS HZ1 H -7.708 2.298 -9.201 1.00 . A A . 30 LYS HZ1 1 1 16 9167 1 1 30 LYS HZ2 H -7.252 0.955 -8.284 1.00 . A A . 30 LYS HZ2 1 1 16 9168 1 1 30 LYS HZ3 H -6.085 1.823 -9.152 1.00 . A A . 30 LYS HZ3 1 1 16 9169 1 1 30 LYS N N -3.266 1.002 -3.064 1.00 . A A . 30 LYS N 1 1 16 9170 1 1 30 LYS NZ N -6.961 1.904 -8.593 1.00 . A A . 30 LYS NZ 1 1 16 9171 1 1 30 LYS O O -5.854 0.675 -2.062 1.00 . A A . 30 LYS O 1 1 16 9172 1 1 31 CYS C C -8.863 2.110 -3.009 1.00 . A A . 31 CYS C 1 1 16 9173 1 1 31 CYS CA C -7.673 2.723 -2.280 1.00 . A A . 31 CYS CA 1 1 16 9174 1 1 31 CYS CB C -7.972 4.187 -1.953 1.00 . A A . 31 CYS CB 1 1 16 9175 1 1 31 CYS H H -6.260 3.262 -3.764 1.00 . A A . 31 CYS H 1 1 16 9176 1 1 31 CYS HA H -7.544 2.195 -1.367 1.00 . A A . 31 CYS HA 1 1 16 9177 1 1 31 CYS HB2 H -7.066 4.657 -1.596 1.00 . A A . 31 CYS HB2 1 1 16 9178 1 1 31 CYS HB3 H -8.309 4.700 -2.844 1.00 . A A . 31 CYS HB3 1 1 16 9179 1 1 31 CYS N N -6.463 2.586 -3.075 1.00 . A A . 31 CYS N 1 1 16 9180 1 1 31 CYS O O -9.397 2.700 -3.951 1.00 . A A . 31 CYS O 1 1 16 9181 1 1 31 CYS SG S -9.241 4.379 -0.658 1.00 . A A . 31 CYS SG 1 1 16 9182 1 1 32 ILE C C -11.491 0.037 -2.077 1.00 . A A . 32 ILE C 1 1 16 9183 1 1 32 ILE CA C -10.419 0.246 -3.146 1.00 . A A . 32 ILE CA 1 1 16 9184 1 1 32 ILE CB C -10.040 -1.106 -3.811 1.00 . A A . 32 ILE CB 1 1 16 9185 1 1 32 ILE CD1 C -8.948 -2.298 -1.810 1.00 . A A . 32 ILE CD1 1 1 16 9186 1 1 32 ILE CG1 C -8.765 -1.711 -3.197 1.00 . A A . 32 ILE CG1 1 1 16 9187 1 1 32 ILE CG2 C -9.861 -0.919 -5.311 1.00 . A A . 32 ILE CG2 1 1 16 9188 1 1 32 ILE H H -8.794 0.503 -1.820 1.00 . A A . 32 ILE H 1 1 16 9189 1 1 32 ILE HA H -10.847 0.888 -3.913 1.00 . A A . 32 ILE HA 1 1 16 9190 1 1 32 ILE HB H -10.858 -1.805 -3.679 1.00 . A A . 32 ILE HB 1 1 16 9191 1 1 32 ILE HD11 H -8.457 -3.253 -1.758 1.00 . A A . 32 ILE HD11 1 1 16 9192 1 1 32 ILE HD12 H -9.997 -2.436 -1.593 1.00 . A A . 32 ILE HD12 1 1 16 9193 1 1 32 ILE HD13 H -8.515 -1.640 -1.082 1.00 . A A . 32 ILE HD13 1 1 16 9194 1 1 32 ILE HG12 H -8.429 -2.524 -3.830 1.00 . A A . 32 ILE HG12 1 1 16 9195 1 1 32 ILE HG13 H -7.980 -0.973 -3.152 1.00 . A A . 32 ILE HG13 1 1 16 9196 1 1 32 ILE HG21 H -9.632 -1.871 -5.771 1.00 . A A . 32 ILE HG21 1 1 16 9197 1 1 32 ILE HG22 H -9.052 -0.226 -5.498 1.00 . A A . 32 ILE HG22 1 1 16 9198 1 1 32 ILE HG23 H -10.774 -0.528 -5.739 1.00 . A A . 32 ILE HG23 1 1 16 9199 1 1 32 ILE N N -9.261 0.923 -2.579 1.00 . A A . 32 ILE N 1 1 16 9200 1 1 32 ILE O O -11.199 -0.448 -0.986 1.00 . A A . 32 ILE O 1 1 16 9201 1 1 33 ASN C C -13.519 1.296 -0.237 1.00 . A A . 33 ASN C 1 1 16 9202 1 1 33 ASN CA C -13.831 0.394 -1.428 1.00 . A A . 33 ASN CA 1 1 16 9203 1 1 33 ASN CB C -14.104 -1.038 -0.937 1.00 . A A . 33 ASN CB 1 1 16 9204 1 1 33 ASN CG C -14.514 -1.987 -2.046 1.00 . A A . 33 ASN CG 1 1 16 9205 1 1 33 ASN H H -12.895 0.832 -3.273 1.00 . A A . 33 ASN H 1 1 16 9206 1 1 33 ASN HA H -14.713 0.771 -1.925 1.00 . A A . 33 ASN HA 1 1 16 9207 1 1 33 ASN HB2 H -13.222 -1.429 -0.458 1.00 . A A . 33 ASN HB2 1 1 16 9208 1 1 33 ASN HB3 H -14.908 -1.011 -0.212 1.00 . A A . 33 ASN HB3 1 1 16 9209 1 1 33 ASN HD21 H -13.601 -3.507 -1.122 1.00 . A A . 33 ASN HD21 1 1 16 9210 1 1 33 ASN HD22 H -14.379 -3.879 -2.618 1.00 . A A . 33 ASN HD22 1 1 16 9211 1 1 33 ASN N N -12.723 0.433 -2.391 1.00 . A A . 33 ASN N 1 1 16 9212 1 1 33 ASN ND2 N -14.125 -3.247 -1.913 1.00 . A A . 33 ASN ND2 1 1 16 9213 1 1 33 ASN O O -13.873 0.986 0.904 1.00 . A A . 33 ASN O 1 1 16 9214 1 1 33 ASN OD1 O -15.164 -1.597 -3.016 1.00 . A A . 33 ASN OD1 1 1 16 9215 1 1 34 LYS C C -11.280 2.756 1.384 1.00 . A A . 34 LYS C 1 1 16 9216 1 1 34 LYS CA C -12.372 3.360 0.499 1.00 . A A . 34 LYS CA 1 1 16 9217 1 1 34 LYS CB C -13.527 3.869 1.370 1.00 . A A . 34 LYS CB 1 1 16 9218 1 1 34 LYS CD C -15.417 5.500 1.591 1.00 . A A . 34 LYS CD 1 1 16 9219 1 1 34 LYS CE C -16.393 6.404 0.859 1.00 . A A . 34 LYS CE 1 1 16 9220 1 1 34 LYS CG C -14.525 4.739 0.625 1.00 . A A . 34 LYS CG 1 1 16 9221 1 1 34 LYS H H -12.572 2.594 -1.450 1.00 . A A . 34 LYS H 1 1 16 9222 1 1 34 LYS HA H -11.967 4.186 -0.013 1.00 . A A . 34 LYS HA 1 1 16 9223 1 1 34 LYS HB2 H -14.057 3.038 1.798 1.00 . A A . 34 LYS HB2 1 1 16 9224 1 1 34 LYS HB3 H -13.108 4.461 2.178 1.00 . A A . 34 LYS HB3 1 1 16 9225 1 1 34 LYS HD2 H -15.978 4.793 2.184 1.00 . A A . 34 LYS HD2 1 1 16 9226 1 1 34 LYS HD3 H -14.800 6.107 2.240 1.00 . A A . 34 LYS HD3 1 1 16 9227 1 1 34 LYS HE2 H -15.858 6.982 0.117 1.00 . A A . 34 LYS HE2 1 1 16 9228 1 1 34 LYS HE3 H -17.136 5.791 0.371 1.00 . A A . 34 LYS HE3 1 1 16 9229 1 1 34 LYS HG2 H -13.988 5.450 0.009 1.00 . A A . 34 LYS HG2 1 1 16 9230 1 1 34 LYS HG3 H -15.140 4.108 -0.001 1.00 . A A . 34 LYS HG3 1 1 16 9231 1 1 34 LYS HZ1 H -17.735 7.946 1.259 1.00 . A A . 34 LYS HZ1 1 1 16 9232 1 1 34 LYS HZ2 H -16.378 7.949 2.267 1.00 . A A . 34 LYS HZ2 1 1 16 9233 1 1 34 LYS HZ3 H -17.612 6.812 2.508 1.00 . A A . 34 LYS HZ3 1 1 16 9234 1 1 34 LYS N N -12.831 2.408 -0.521 1.00 . A A . 34 LYS N 1 1 16 9235 1 1 34 LYS NZ N -17.075 7.341 1.788 1.00 . A A . 34 LYS NZ 1 1 16 9236 1 1 34 LYS O O -10.844 3.376 2.355 1.00 . A A . 34 LYS O 1 1 16 9237 1 1 35 SER C C -8.456 1.040 1.021 1.00 . A A . 35 SER C 1 1 16 9238 1 1 35 SER CA C -9.772 0.903 1.779 1.00 . A A . 35 SER CA 1 1 16 9239 1 1 35 SER CB C -10.115 -0.574 1.996 1.00 . A A . 35 SER CB 1 1 16 9240 1 1 35 SER H H -11.173 1.111 0.259 1.00 . A A . 35 SER H 1 1 16 9241 1 1 35 SER HA H -9.668 1.372 2.753 1.00 . A A . 35 SER HA 1 1 16 9242 1 1 35 SER HB2 H -11.097 -0.649 2.437 1.00 . A A . 35 SER HB2 1 1 16 9243 1 1 35 SER HB3 H -10.110 -1.094 1.050 1.00 . A A . 35 SER HB3 1 1 16 9244 1 1 35 SER HG H -9.433 -2.122 2.982 1.00 . A A . 35 SER HG 1 1 16 9245 1 1 35 SER N N -10.832 1.561 1.039 1.00 . A A . 35 SER N 1 1 16 9246 1 1 35 SER O O -8.239 0.369 0.012 1.00 . A A . 35 SER O 1 1 16 9247 1 1 35 SER OG O -9.186 -1.202 2.860 1.00 . A A . 35 SER OG 1 1 16 9248 1 1 36 CYS C C -5.334 1.080 1.409 1.00 . A A . 36 CYS C 1 1 16 9249 1 1 36 CYS CA C -6.299 2.117 0.853 1.00 . A A . 36 CYS CA 1 1 16 9250 1 1 36 CYS CB C -5.765 3.533 1.085 1.00 . A A . 36 CYS CB 1 1 16 9251 1 1 36 CYS H H -7.828 2.478 2.275 1.00 . A A . 36 CYS H 1 1 16 9252 1 1 36 CYS HA H -6.395 1.952 -0.192 1.00 . A A . 36 CYS HA 1 1 16 9253 1 1 36 CYS HB2 H -6.589 4.231 1.023 1.00 . A A . 36 CYS HB2 1 1 16 9254 1 1 36 CYS HB3 H -5.321 3.605 2.069 1.00 . A A . 36 CYS HB3 1 1 16 9255 1 1 36 CYS N N -7.598 1.941 1.479 1.00 . A A . 36 CYS N 1 1 16 9256 1 1 36 CYS O O -4.752 1.268 2.481 1.00 . A A . 36 CYS O 1 1 16 9257 1 1 36 CYS SG S -4.522 4.061 -0.141 1.00 . A A . 36 CYS SG 1 1 16 9258 1 1 37 LYS C C -3.108 -1.277 0.395 1.00 . A A . 37 LYS C 1 1 16 9259 1 1 37 LYS CA C -4.418 -1.156 1.159 1.00 . A A . 37 LYS CA 1 1 16 9260 1 1 37 LYS CB C -5.204 -2.453 0.998 1.00 . A A . 37 LYS CB 1 1 16 9261 1 1 37 LYS CD C -5.643 -4.279 -0.650 1.00 . A A . 37 LYS CD 1 1 16 9262 1 1 37 LYS CE C -5.857 -4.600 -2.109 1.00 . A A . 37 LYS CE 1 1 16 9263 1 1 37 LYS CG C -5.484 -2.790 -0.449 1.00 . A A . 37 LYS CG 1 1 16 9264 1 1 37 LYS H H -5.708 -0.115 -0.152 1.00 . A A . 37 LYS H 1 1 16 9265 1 1 37 LYS HA H -4.194 -1.024 2.212 1.00 . A A . 37 LYS HA 1 1 16 9266 1 1 37 LYS HB2 H -4.642 -3.259 1.456 1.00 . A A . 37 LYS HB2 1 1 16 9267 1 1 37 LYS HB3 H -6.149 -2.352 1.511 1.00 . A A . 37 LYS HB3 1 1 16 9268 1 1 37 LYS HD2 H -4.750 -4.785 -0.309 1.00 . A A . 37 LYS HD2 1 1 16 9269 1 1 37 LYS HD3 H -6.497 -4.625 -0.085 1.00 . A A . 37 LYS HD3 1 1 16 9270 1 1 37 LYS HE2 H -6.787 -4.170 -2.436 1.00 . A A . 37 LYS HE2 1 1 16 9271 1 1 37 LYS HE3 H -5.045 -4.179 -2.687 1.00 . A A . 37 LYS HE3 1 1 16 9272 1 1 37 LYS HG2 H -6.403 -2.305 -0.737 1.00 . A A . 37 LYS HG2 1 1 16 9273 1 1 37 LYS HG3 H -4.686 -2.441 -1.088 1.00 . A A . 37 LYS HG3 1 1 16 9274 1 1 37 LYS HZ1 H -6.045 -6.250 -3.361 1.00 . A A . 37 LYS HZ1 1 1 16 9275 1 1 37 LYS HZ2 H -6.675 -6.498 -1.812 1.00 . A A . 37 LYS HZ2 1 1 16 9276 1 1 37 LYS HZ3 H -4.998 -6.502 -2.057 1.00 . A A . 37 LYS HZ3 1 1 16 9277 1 1 37 LYS N N -5.199 -0.023 0.688 1.00 . A A . 37 LYS N 1 1 16 9278 1 1 37 LYS NZ N -5.896 -6.062 -2.349 1.00 . A A . 37 LYS NZ 1 1 16 9279 1 1 37 LYS O O -2.969 -0.756 -0.714 1.00 . A A . 37 LYS O 1 1 16 9280 1 1 38 CYS C C -0.946 -3.760 -0.103 1.00 . A A . 38 CYS C 1 1 16 9281 1 1 38 CYS CA C -0.909 -2.309 0.351 1.00 . A A . 38 CYS CA 1 1 16 9282 1 1 38 CYS CB C 0.256 -2.088 1.318 1.00 . A A . 38 CYS CB 1 1 16 9283 1 1 38 CYS H H -2.352 -2.375 1.880 1.00 . A A . 38 CYS H 1 1 16 9284 1 1 38 CYS HA H -0.769 -1.670 -0.516 1.00 . A A . 38 CYS HA 1 1 16 9285 1 1 38 CYS HB2 H 0.066 -2.647 2.223 1.00 . A A . 38 CYS HB2 1 1 16 9286 1 1 38 CYS HB3 H 1.171 -2.451 0.868 1.00 . A A . 38 CYS HB3 1 1 16 9287 1 1 38 CYS N N -2.165 -1.978 0.996 1.00 . A A . 38 CYS N 1 1 16 9288 1 1 38 CYS O O -1.488 -4.620 0.594 1.00 . A A . 38 CYS O 1 1 16 9289 1 1 38 CYS SG S 0.507 -0.350 1.797 1.00 . A A . 38 CYS SG 1 1 16 9290 1 1 39 TYR C C 0.645 -6.267 -1.177 1.00 . A A . 39 TYR C 1 1 16 9291 1 1 39 TYR CA C -0.395 -5.372 -1.836 1.00 . A A . 39 TYR CA 1 1 16 9292 1 1 39 TYR CB C -0.158 -5.309 -3.346 1.00 . A A . 39 TYR CB 1 1 16 9293 1 1 39 TYR CD1 C -2.355 -5.196 -4.580 1.00 . A A . 39 TYR CD1 1 1 16 9294 1 1 39 TYR CD2 C -1.116 -3.176 -4.304 1.00 . A A . 39 TYR CD2 1 1 16 9295 1 1 39 TYR CE1 C -3.344 -4.503 -5.251 1.00 . A A . 39 TYR CE1 1 1 16 9296 1 1 39 TYR CE2 C -2.099 -2.478 -4.975 1.00 . A A . 39 TYR CE2 1 1 16 9297 1 1 39 TYR CG C -1.229 -4.546 -4.090 1.00 . A A . 39 TYR CG 1 1 16 9298 1 1 39 TYR CZ C -3.207 -3.147 -5.451 1.00 . A A . 39 TYR CZ 1 1 16 9299 1 1 39 TYR H H 0.062 -3.301 -1.771 1.00 . A A . 39 TYR H 1 1 16 9300 1 1 39 TYR HA H -1.376 -5.800 -1.658 1.00 . A A . 39 TYR HA 1 1 16 9301 1 1 39 TYR HB2 H 0.794 -4.828 -3.532 1.00 . A A . 39 TYR HB2 1 1 16 9302 1 1 39 TYR HB3 H -0.123 -6.317 -3.745 1.00 . A A . 39 TYR HB3 1 1 16 9303 1 1 39 TYR HD1 H -2.461 -6.261 -4.424 1.00 . A A . 39 TYR HD1 1 1 16 9304 1 1 39 TYR HD2 H -0.249 -2.655 -3.936 1.00 . A A . 39 TYR HD2 1 1 16 9305 1 1 39 TYR HE1 H -4.212 -5.026 -5.624 1.00 . A A . 39 TYR HE1 1 1 16 9306 1 1 39 TYR HE2 H -1.994 -1.415 -5.133 1.00 . A A . 39 TYR HE2 1 1 16 9307 1 1 39 TYR HH H -4.975 -2.388 -5.566 1.00 . A A . 39 TYR HH 1 1 16 9308 1 1 39 TYR N N -0.365 -4.032 -1.262 1.00 . A A . 39 TYR N 1 1 16 9309 1 1 39 TYR O O 0.693 -7.471 -1.426 1.00 . A A . 39 TYR O 1 1 16 9310 1 1 39 TYR OH O -4.188 -2.450 -6.115 1.00 . A A . 39 TYR OH 1 1 16 9311 1 1 40 GLY C C 3.724 -6.633 -0.439 1.00 . A A . 40 GLY C 1 1 16 9312 1 1 40 GLY CA C 2.473 -6.418 0.386 1.00 . A A . 40 GLY CA 1 1 16 9313 1 1 40 GLY H H 1.417 -4.710 -0.166 1.00 . A A . 40 GLY H 1 1 16 9314 1 1 40 GLY HA2 H 2.738 -5.869 1.278 1.00 . A A . 40 GLY HA2 1 1 16 9315 1 1 40 GLY HA3 H 2.074 -7.382 0.678 1.00 . A A . 40 GLY HA3 1 1 16 9316 1 1 40 GLY N N 1.472 -5.668 -0.335 1.00 . A A . 40 GLY N 1 1 16 9317 1 1 40 GLY O O 3.811 -6.168 -1.577 1.00 . A A . 40 GLY O 1 1 16 9318 1 1 41 CYS C C 6.104 -9.094 -0.810 1.00 . A A . 41 CYS C 1 1 16 9319 1 1 41 CYS CA C 5.941 -7.600 -0.558 1.00 . A A . 41 CYS CA 1 1 16 9320 1 1 41 CYS CB C 7.107 -7.054 0.270 1.00 . A A . 41 CYS CB 1 1 16 9321 1 1 41 CYS H H 4.564 -7.691 1.036 1.00 . A A . 41 CYS H 1 1 16 9322 1 1 41 CYS HA H 5.941 -7.101 -1.518 1.00 . A A . 41 CYS HA 1 1 16 9323 1 1 41 CYS HB2 H 7.122 -7.546 1.232 1.00 . A A . 41 CYS HB2 1 1 16 9324 1 1 41 CYS HB3 H 8.036 -7.251 -0.246 1.00 . A A . 41 CYS HB3 1 1 16 9325 1 1 41 CYS N N 4.687 -7.337 0.125 1.00 . A A . 41 CYS N 1 1 16 9326 1 1 41 CYS O O 6.349 -9.844 0.159 1.00 . A A . 41 CYS O 1 1 16 9327 1 1 41 CYS OXT O 5.958 -9.523 -1.974 1.00 . A A . 41 CYS OXT 1 1 16 9328 1 1 41 CYS SG S 7.012 -5.256 0.569 1.00 . A A . 41 CYS SG 1 1 17 9329 1 1 1 TRP C C 2.566 3.630 11.573 1.00 . A A . 1 TRP C 1 1 17 9330 1 1 1 TRP CA C 2.812 2.682 12.750 1.00 . A A . 1 TRP CA 1 1 17 9331 1 1 1 TRP CB C 3.086 1.242 12.269 1.00 . A A . 1 TRP CB 1 1 17 9332 1 1 1 TRP CD1 C 1.423 0.407 10.502 1.00 . A A . 1 TRP CD1 1 1 17 9333 1 1 1 TRP CD2 C 0.979 -0.297 12.579 1.00 . A A . 1 TRP CD2 1 1 17 9334 1 1 1 TRP CE2 C 0.000 -0.812 11.709 1.00 . A A . 1 TRP CE2 1 1 17 9335 1 1 1 TRP CE3 C 0.901 -0.612 13.938 1.00 . A A . 1 TRP CE3 1 1 17 9336 1 1 1 TRP CG C 1.877 0.492 11.787 1.00 . A A . 1 TRP CG 1 1 17 9337 1 1 1 TRP CH2 C -1.089 -1.919 13.484 1.00 . A A . 1 TRP CH2 1 1 17 9338 1 1 1 TRP CZ2 C -1.038 -1.627 12.151 1.00 . A A . 1 TRP CZ2 1 1 17 9339 1 1 1 TRP CZ3 C -0.132 -1.421 14.376 1.00 . A A . 1 TRP CZ3 1 1 17 9340 1 1 1 TRP H1 H 1.884 2.039 14.472 1.00 . A A . 1 TRP H1 1 1 17 9341 1 1 1 TRP H2 H 0.803 2.455 13.207 1.00 . A A . 1 TRP H2 1 1 17 9342 1 1 1 TRP H3 H 1.615 3.681 14.085 1.00 . A A . 1 TRP H3 1 1 17 9343 1 1 1 TRP HA H 3.686 3.035 13.280 1.00 . A A . 1 TRP HA 1 1 17 9344 1 1 1 TRP HB2 H 3.808 1.264 11.464 1.00 . A A . 1 TRP HB2 1 1 17 9345 1 1 1 TRP HB3 H 3.510 0.684 13.093 1.00 . A A . 1 TRP HB3 1 1 17 9346 1 1 1 TRP HD1 H 1.891 0.895 9.660 1.00 . A A . 1 TRP HD1 1 1 17 9347 1 1 1 TRP HE1 H -0.223 -0.568 9.639 1.00 . A A . 1 TRP HE1 1 1 17 9348 1 1 1 TRP HE3 H 1.630 -0.237 14.641 1.00 . A A . 1 TRP HE3 1 1 17 9349 1 1 1 TRP HH2 H -1.878 -2.546 13.871 1.00 . A A . 1 TRP HH2 1 1 17 9350 1 1 1 TRP HZ2 H -1.784 -2.020 11.476 1.00 . A A . 1 TRP HZ2 1 1 17 9351 1 1 1 TRP HZ3 H -0.208 -1.675 15.423 1.00 . A A . 1 TRP HZ3 1 1 17 9352 1 1 1 TRP N N 1.680 2.714 13.704 1.00 . A A . 1 TRP N 1 1 17 9353 1 1 1 TRP NE1 N 0.291 -0.366 10.449 1.00 . A A . 1 TRP NE1 1 1 17 9354 1 1 1 TRP O O 3.383 4.511 11.298 1.00 . A A . 1 TRP O 1 1 17 9355 1 1 2 CYS C C 0.239 5.514 10.329 1.00 . A A . 2 CYS C 1 1 17 9356 1 1 2 CYS CA C 1.092 4.366 9.799 1.00 . A A . 2 CYS CA 1 1 17 9357 1 1 2 CYS CB C 0.375 3.615 8.667 1.00 . A A . 2 CYS CB 1 1 17 9358 1 1 2 CYS H H 0.816 2.782 11.155 1.00 . A A . 2 CYS H 1 1 17 9359 1 1 2 CYS HA H 2.005 4.787 9.387 1.00 . A A . 2 CYS HA 1 1 17 9360 1 1 2 CYS HB2 H 0.061 4.320 7.941 1.00 . A A . 2 CYS HB2 1 1 17 9361 1 1 2 CYS HB3 H 1.092 2.952 8.201 1.00 . A A . 2 CYS HB3 1 1 17 9362 1 1 2 CYS N N 1.447 3.465 10.883 1.00 . A A . 2 CYS N 1 1 17 9363 1 1 2 CYS O O -0.985 5.496 10.228 1.00 . A A . 2 CYS O 1 1 17 9364 1 1 2 CYS SG S -1.037 2.587 9.196 1.00 . A A . 2 CYS SG 1 1 17 9365 1 1 3 SER C C -0.791 8.289 10.593 1.00 . A A . 3 SER C 1 1 17 9366 1 1 3 SER CA C 0.243 7.645 11.523 1.00 . A A . 3 SER CA 1 1 17 9367 1 1 3 SER CB C 1.297 8.669 11.928 1.00 . A A . 3 SER CB 1 1 17 9368 1 1 3 SER H H 1.891 6.450 10.947 1.00 . A A . 3 SER H 1 1 17 9369 1 1 3 SER HA H -0.259 7.291 12.410 1.00 . A A . 3 SER HA 1 1 17 9370 1 1 3 SER HB2 H 1.680 9.171 11.048 1.00 . A A . 3 SER HB2 1 1 17 9371 1 1 3 SER HB3 H 0.856 9.395 12.596 1.00 . A A . 3 SER HB3 1 1 17 9372 1 1 3 SER HG H 2.154 7.887 13.512 1.00 . A A . 3 SER HG 1 1 17 9373 1 1 3 SER N N 0.906 6.508 10.899 1.00 . A A . 3 SER N 1 1 17 9374 1 1 3 SER O O -1.868 8.696 11.031 1.00 . A A . 3 SER O 1 1 17 9375 1 1 3 SER OG O 2.380 8.034 12.590 1.00 . A A . 3 SER OG 1 1 17 9376 1 1 4 THR C C -1.809 7.930 7.297 1.00 . A A . 4 THR C 1 1 17 9377 1 1 4 THR CA C -1.365 8.961 8.341 1.00 . A A . 4 THR CA 1 1 17 9378 1 1 4 THR CB C -0.689 10.159 7.642 1.00 . A A . 4 THR CB 1 1 17 9379 1 1 4 THR CG2 C -1.716 11.021 6.922 1.00 . A A . 4 THR CG2 1 1 17 9380 1 1 4 THR H H 0.396 8.016 8.995 1.00 . A A . 4 THR H 1 1 17 9381 1 1 4 THR HA H -2.254 9.316 8.852 1.00 . A A . 4 THR HA 1 1 17 9382 1 1 4 THR HB H 0.031 9.804 6.914 1.00 . A A . 4 THR HB 1 1 17 9383 1 1 4 THR HG1 H 0.709 11.450 8.190 1.00 . A A . 4 THR HG1 1 1 17 9384 1 1 4 THR HG21 H -1.215 11.855 6.453 1.00 . A A . 4 THR HG21 1 1 17 9385 1 1 4 THR HG22 H -2.438 11.393 7.634 1.00 . A A . 4 THR HG22 1 1 17 9386 1 1 4 THR HG23 H -2.223 10.440 6.168 1.00 . A A . 4 THR HG23 1 1 17 9387 1 1 4 THR N N -0.469 8.362 9.310 1.00 . A A . 4 THR N 1 1 17 9388 1 1 4 THR O O -1.646 8.130 6.095 1.00 . A A . 4 THR O 1 1 17 9389 1 1 4 THR OG1 O 0.004 10.956 8.617 1.00 . A A . 4 THR OG1 1 1 17 9390 1 1 5 CYS C C -4.394 5.677 7.024 1.00 . A A . 5 CYS C 1 1 17 9391 1 1 5 CYS CA C -2.885 5.801 6.851 1.00 . A A . 5 CYS CA 1 1 17 9392 1 1 5 CYS CB C -2.230 4.436 7.087 1.00 . A A . 5 CYS CB 1 1 17 9393 1 1 5 CYS H H -2.424 6.668 8.731 1.00 . A A . 5 CYS H 1 1 17 9394 1 1 5 CYS HA H -2.691 6.097 5.827 1.00 . A A . 5 CYS HA 1 1 17 9395 1 1 5 CYS HB2 H -2.548 3.760 6.303 1.00 . A A . 5 CYS HB2 1 1 17 9396 1 1 5 CYS HB3 H -1.181 4.559 7.026 1.00 . A A . 5 CYS HB3 1 1 17 9397 1 1 5 CYS N N -2.344 6.806 7.762 1.00 . A A . 5 CYS N 1 1 17 9398 1 1 5 CYS O O -5.106 5.297 6.095 1.00 . A A . 5 CYS O 1 1 17 9399 1 1 5 CYS SG S -2.673 3.672 8.682 1.00 . A A . 5 CYS SG 1 1 17 9400 1 1 6 LEU C C -7.186 6.895 7.964 1.00 . A A . 6 LEU C 1 1 17 9401 1 1 6 LEU CA C -6.283 5.813 8.555 1.00 . A A . 6 LEU CA 1 1 17 9402 1 1 6 LEU CB C -6.439 5.728 10.082 1.00 . A A . 6 LEU CB 1 1 17 9403 1 1 6 LEU CD1 C -6.612 8.089 10.963 1.00 . A A . 6 LEU CD1 1 1 17 9404 1 1 6 LEU CD2 C -5.429 6.341 12.299 1.00 . A A . 6 LEU CD2 1 1 17 9405 1 1 6 LEU CG C -5.754 6.837 10.897 1.00 . A A . 6 LEU CG 1 1 17 9406 1 1 6 LEU H H -4.271 6.325 8.898 1.00 . A A . 6 LEU H 1 1 17 9407 1 1 6 LEU HA H -6.589 4.861 8.137 1.00 . A A . 6 LEU HA 1 1 17 9408 1 1 6 LEU HB2 H -7.497 5.713 10.324 1.00 . A A . 6 LEU HB2 1 1 17 9409 1 1 6 LEU HB3 H -6.020 4.776 10.384 1.00 . A A . 6 LEU HB3 1 1 17 9410 1 1 6 LEU HD11 H -6.539 8.618 10.038 1.00 . A A . 6 LEU HD11 1 1 17 9411 1 1 6 LEU HD12 H -6.263 8.736 11.759 1.00 . A A . 6 LEU HD12 1 1 17 9412 1 1 6 LEU HD13 H -7.645 7.825 11.148 1.00 . A A . 6 LEU HD13 1 1 17 9413 1 1 6 LEU HD21 H -4.789 5.471 12.236 1.00 . A A . 6 LEU HD21 1 1 17 9414 1 1 6 LEU HD22 H -6.343 6.077 12.814 1.00 . A A . 6 LEU HD22 1 1 17 9415 1 1 6 LEU HD23 H -4.918 7.119 12.850 1.00 . A A . 6 LEU HD23 1 1 17 9416 1 1 6 LEU HG H -4.823 7.118 10.439 1.00 . A A . 6 LEU HG 1 1 17 9417 1 1 6 LEU N N -4.881 6.022 8.211 1.00 . A A . 6 LEU N 1 1 17 9418 1 1 6 LEU O O -8.366 6.659 7.712 1.00 . A A . 6 LEU O 1 1 17 9419 1 1 7 ASP C C -6.938 9.458 5.742 1.00 . A A . 7 ASP C 1 1 17 9420 1 1 7 ASP CA C -7.398 9.179 7.169 1.00 . A A . 7 ASP CA 1 1 17 9421 1 1 7 ASP CB C -7.256 10.429 8.052 1.00 . A A . 7 ASP CB 1 1 17 9422 1 1 7 ASP CG C -8.150 11.578 7.614 1.00 . A A . 7 ASP CG 1 1 17 9423 1 1 7 ASP H H -5.679 8.223 7.930 1.00 . A A . 7 ASP H 1 1 17 9424 1 1 7 ASP HA H -8.447 8.904 7.133 1.00 . A A . 7 ASP HA 1 1 17 9425 1 1 7 ASP HB2 H -7.523 10.174 9.064 1.00 . A A . 7 ASP HB2 1 1 17 9426 1 1 7 ASP HB3 H -6.228 10.766 8.032 1.00 . A A . 7 ASP HB3 1 1 17 9427 1 1 7 ASP N N -6.629 8.072 7.727 1.00 . A A . 7 ASP N 1 1 17 9428 1 1 7 ASP O O -7.037 10.575 5.233 1.00 . A A . 7 ASP O 1 1 17 9429 1 1 7 ASP OD1 O -9.358 11.354 7.392 1.00 . A A . 7 ASP OD1 1 1 17 9430 1 1 7 ASP OD2 O -7.644 12.715 7.488 1.00 . A A . 7 ASP OD2 1 1 17 9431 1 1 8 LEU C C -6.758 7.674 2.795 1.00 . A A . 8 LEU C 1 1 17 9432 1 1 8 LEU CA C -5.944 8.556 3.729 1.00 . A A . 8 LEU CA 1 1 17 9433 1 1 8 LEU CB C -4.457 8.187 3.685 1.00 . A A . 8 LEU CB 1 1 17 9434 1 1 8 LEU CD1 C -3.711 10.187 2.372 1.00 . A A . 8 LEU CD1 1 1 17 9435 1 1 8 LEU CD2 C -2.259 8.161 2.517 1.00 . A A . 8 LEU CD2 1 1 17 9436 1 1 8 LEU CG C -3.688 8.668 2.459 1.00 . A A . 8 LEU CG 1 1 17 9437 1 1 8 LEU H H -6.384 7.541 5.511 1.00 . A A . 8 LEU H 1 1 17 9438 1 1 8 LEU HA H -6.067 9.568 3.416 1.00 . A A . 8 LEU HA 1 1 17 9439 1 1 8 LEU HB2 H -3.983 8.606 4.566 1.00 . A A . 8 LEU HB2 1 1 17 9440 1 1 8 LEU HB3 H -4.371 7.107 3.742 1.00 . A A . 8 LEU HB3 1 1 17 9441 1 1 8 LEU HD11 H -3.471 10.482 1.366 1.00 . A A . 8 LEU HD11 1 1 17 9442 1 1 8 LEU HD12 H -2.980 10.609 3.049 1.00 . A A . 8 LEU HD12 1 1 17 9443 1 1 8 LEU HD13 H -4.678 10.580 2.624 1.00 . A A . 8 LEU HD13 1 1 17 9444 1 1 8 LEU HD21 H -2.259 7.081 2.571 1.00 . A A . 8 LEU HD21 1 1 17 9445 1 1 8 LEU HD22 H -1.761 8.563 3.390 1.00 . A A . 8 LEU HD22 1 1 17 9446 1 1 8 LEU HD23 H -1.735 8.472 1.635 1.00 . A A . 8 LEU HD23 1 1 17 9447 1 1 8 LEU HG H -4.145 8.274 1.566 1.00 . A A . 8 LEU HG 1 1 17 9448 1 1 8 LEU N N -6.439 8.423 5.089 1.00 . A A . 8 LEU N 1 1 17 9449 1 1 8 LEU O O -6.360 7.392 1.661 1.00 . A A . 8 LEU O 1 1 17 9450 1 1 9 ALA C C -9.238 6.935 1.234 1.00 . A A . 9 ALA C 1 1 17 9451 1 1 9 ALA CA C -8.816 6.375 2.585 1.00 . A A . 9 ALA CA 1 1 17 9452 1 1 9 ALA CB C -10.033 6.085 3.444 1.00 . A A . 9 ALA CB 1 1 17 9453 1 1 9 ALA H H -8.202 7.596 4.174 1.00 . A A . 9 ALA H 1 1 17 9454 1 1 9 ALA HA H -8.286 5.442 2.436 1.00 . A A . 9 ALA HA 1 1 17 9455 1 1 9 ALA HB1 H -9.712 5.689 4.396 1.00 . A A . 9 ALA HB1 1 1 17 9456 1 1 9 ALA HB2 H -10.664 5.359 2.950 1.00 . A A . 9 ALA HB2 1 1 17 9457 1 1 9 ALA HB3 H -10.591 6.997 3.606 1.00 . A A . 9 ALA HB3 1 1 17 9458 1 1 9 ALA N N -7.929 7.295 3.281 1.00 . A A . 9 ALA N 1 1 17 9459 1 1 9 ALA O O -10.271 7.598 1.111 1.00 . A A . 9 ALA O 1 1 17 9460 1 1 10 CYS C C -8.570 8.669 -1.186 1.00 . A A . 10 CYS C 1 1 17 9461 1 1 10 CYS CA C -8.630 7.151 -1.124 1.00 . A A . 10 CYS CA 1 1 17 9462 1 1 10 CYS CB C -9.954 6.624 -1.683 1.00 . A A . 10 CYS CB 1 1 17 9463 1 1 10 CYS H H -7.585 6.163 0.409 1.00 . A A . 10 CYS H 1 1 17 9464 1 1 10 CYS HA H -7.814 6.794 -1.716 1.00 . A A . 10 CYS HA 1 1 17 9465 1 1 10 CYS HB2 H -10.744 6.753 -0.967 1.00 . A A . 10 CYS HB2 1 1 17 9466 1 1 10 CYS HB3 H -10.208 7.166 -2.585 1.00 . A A . 10 CYS HB3 1 1 17 9467 1 1 10 CYS N N -8.403 6.681 0.234 1.00 . A A . 10 CYS N 1 1 17 9468 1 1 10 CYS O O -9.320 9.306 -1.926 1.00 . A A . 10 CYS O 1 1 17 9469 1 1 10 CYS SG S -9.897 4.858 -2.133 1.00 . A A . 10 CYS SG 1 1 17 9470 1 1 11 THR C C -6.506 10.940 -1.698 1.00 . A A . 11 THR C 1 1 17 9471 1 1 11 THR CA C -7.397 10.671 -0.488 1.00 . A A . 11 THR CA 1 1 17 9472 1 1 11 THR CB C -6.710 11.186 0.796 1.00 . A A . 11 THR CB 1 1 17 9473 1 1 11 THR CG2 C -6.578 12.705 0.780 1.00 . A A . 11 THR CG2 1 1 17 9474 1 1 11 THR H H -7.075 8.688 0.162 1.00 . A A . 11 THR H 1 1 17 9475 1 1 11 THR HA H -8.340 11.192 -0.621 1.00 . A A . 11 THR HA 1 1 17 9476 1 1 11 THR HB H -5.729 10.761 0.858 1.00 . A A . 11 THR HB 1 1 17 9477 1 1 11 THR HG1 H -7.121 11.201 2.744 1.00 . A A . 11 THR HG1 1 1 17 9478 1 1 11 THR HG21 H -7.548 13.154 0.618 1.00 . A A . 11 THR HG21 1 1 17 9479 1 1 11 THR HG22 H -5.906 13.004 -0.011 1.00 . A A . 11 THR HG22 1 1 17 9480 1 1 11 THR HG23 H -6.183 13.039 1.728 1.00 . A A . 11 THR HG23 1 1 17 9481 1 1 11 THR N N -7.660 9.244 -0.405 1.00 . A A . 11 THR N 1 1 17 9482 1 1 11 THR O O -6.602 11.978 -2.353 1.00 . A A . 11 THR O 1 1 17 9483 1 1 11 THR OG1 O -7.466 10.782 1.948 1.00 . A A . 11 THR OG1 1 1 17 9484 1 1 12 GLY C C -3.817 8.888 -3.152 1.00 . A A . 12 GLY C 1 1 17 9485 1 1 12 GLY CA C -4.786 10.046 -3.144 1.00 . A A . 12 GLY CA 1 1 17 9486 1 1 12 GLY H H -5.644 9.150 -1.449 1.00 . A A . 12 GLY H 1 1 17 9487 1 1 12 GLY HA2 H -5.382 10.033 -4.047 1.00 . A A . 12 GLY HA2 1 1 17 9488 1 1 12 GLY HA3 H -4.224 10.970 -3.105 1.00 . A A . 12 GLY HA3 1 1 17 9489 1 1 12 GLY N N -5.663 9.966 -1.999 1.00 . A A . 12 GLY N 1 1 17 9490 1 1 12 GLY O O -3.157 8.633 -2.148 1.00 . A A . 12 GLY O 1 1 17 9491 1 1 13 SER C C -1.405 7.408 -4.187 1.00 . A A . 13 SER C 1 1 17 9492 1 1 13 SER CA C -2.869 7.010 -4.354 1.00 . A A . 13 SER CA 1 1 17 9493 1 1 13 SER CB C -3.091 6.289 -5.681 1.00 . A A . 13 SER CB 1 1 17 9494 1 1 13 SER H H -4.302 8.416 -5.039 1.00 . A A . 13 SER H 1 1 17 9495 1 1 13 SER HA H -3.133 6.335 -3.550 1.00 . A A . 13 SER HA 1 1 17 9496 1 1 13 SER HB2 H -2.284 5.592 -5.869 1.00 . A A . 13 SER HB2 1 1 17 9497 1 1 13 SER HB3 H -4.025 5.748 -5.636 1.00 . A A . 13 SER HB3 1 1 17 9498 1 1 13 SER HG H -2.272 7.465 -7.022 1.00 . A A . 13 SER HG 1 1 17 9499 1 1 13 SER N N -3.738 8.173 -4.265 1.00 . A A . 13 SER N 1 1 17 9500 1 1 13 SER O O -0.649 6.733 -3.484 1.00 . A A . 13 SER O 1 1 17 9501 1 1 13 SER OG O -3.160 7.217 -6.752 1.00 . A A . 13 SER OG 1 1 17 9502 1 1 14 LYS C C 0.635 9.396 -3.222 1.00 . A A . 14 LYS C 1 1 17 9503 1 1 14 LYS CA C 0.342 9.034 -4.677 1.00 . A A . 14 LYS CA 1 1 17 9504 1 1 14 LYS CB C 0.571 10.246 -5.590 1.00 . A A . 14 LYS CB 1 1 17 9505 1 1 14 LYS CD C 0.065 12.654 -6.121 1.00 . A A . 14 LYS CD 1 1 17 9506 1 1 14 LYS CE C 0.031 12.410 -7.624 1.00 . A A . 14 LYS CE 1 1 17 9507 1 1 14 LYS CG C -0.366 11.420 -5.336 1.00 . A A . 14 LYS CG 1 1 17 9508 1 1 14 LYS H H -1.671 9.033 -5.341 1.00 . A A . 14 LYS H 1 1 17 9509 1 1 14 LYS HA H 1.009 8.259 -4.971 1.00 . A A . 14 LYS HA 1 1 17 9510 1 1 14 LYS HB2 H 1.593 10.584 -5.468 1.00 . A A . 14 LYS HB2 1 1 17 9511 1 1 14 LYS HB3 H 0.435 9.918 -6.608 1.00 . A A . 14 LYS HB3 1 1 17 9512 1 1 14 LYS HD2 H -0.606 13.466 -5.887 1.00 . A A . 14 LYS HD2 1 1 17 9513 1 1 14 LYS HD3 H 1.071 12.924 -5.831 1.00 . A A . 14 LYS HD3 1 1 17 9514 1 1 14 LYS HE2 H 0.623 11.543 -7.868 1.00 . A A . 14 LYS HE2 1 1 17 9515 1 1 14 LYS HE3 H -0.992 12.244 -7.926 1.00 . A A . 14 LYS HE3 1 1 17 9516 1 1 14 LYS HG2 H -1.366 11.147 -5.636 1.00 . A A . 14 LYS HG2 1 1 17 9517 1 1 14 LYS HG3 H -0.360 11.663 -4.284 1.00 . A A . 14 LYS HG3 1 1 17 9518 1 1 14 LYS HZ1 H 0.019 14.423 -8.197 1.00 . A A . 14 LYS HZ1 1 1 17 9519 1 1 14 LYS HZ2 H 0.539 13.365 -9.409 1.00 . A A . 14 LYS HZ2 1 1 17 9520 1 1 14 LYS HZ3 H 1.568 13.741 -8.121 1.00 . A A . 14 LYS HZ3 1 1 17 9521 1 1 14 LYS N N -1.017 8.525 -4.808 1.00 . A A . 14 LYS N 1 1 17 9522 1 1 14 LYS NZ N 0.577 13.565 -8.389 1.00 . A A . 14 LYS NZ 1 1 17 9523 1 1 14 LYS O O 1.775 9.311 -2.768 1.00 . A A . 14 LYS O 1 1 17 9524 1 1 15 ASP C C -0.044 8.718 -0.339 1.00 . A A . 15 ASP C 1 1 17 9525 1 1 15 ASP CA C -0.281 10.028 -1.066 1.00 . A A . 15 ASP CA 1 1 17 9526 1 1 15 ASP CB C -1.538 10.703 -0.509 1.00 . A A . 15 ASP CB 1 1 17 9527 1 1 15 ASP CG C -1.683 12.138 -0.955 1.00 . A A . 15 ASP CG 1 1 17 9528 1 1 15 ASP H H -1.295 9.834 -2.902 1.00 . A A . 15 ASP H 1 1 17 9529 1 1 15 ASP HA H 0.574 10.675 -0.900 1.00 . A A . 15 ASP HA 1 1 17 9530 1 1 15 ASP HB2 H -2.408 10.166 -0.819 1.00 . A A . 15 ASP HB2 1 1 17 9531 1 1 15 ASP HB3 H -1.491 10.701 0.573 1.00 . A A . 15 ASP HB3 1 1 17 9532 1 1 15 ASP N N -0.404 9.783 -2.495 1.00 . A A . 15 ASP N 1 1 17 9533 1 1 15 ASP O O 0.850 8.619 0.491 1.00 . A A . 15 ASP O 1 1 17 9534 1 1 15 ASP OD1 O -1.096 13.029 -0.303 1.00 . A A . 15 ASP OD1 1 1 17 9535 1 1 15 ASP OD2 O -2.392 12.388 -1.952 1.00 . A A . 15 ASP OD2 1 1 17 9536 1 1 16 CYS C C 0.653 5.788 -0.261 1.00 . A A . 16 CYS C 1 1 17 9537 1 1 16 CYS CA C -0.738 6.385 -0.072 1.00 . A A . 16 CYS CA 1 1 17 9538 1 1 16 CYS CB C -1.778 5.432 -0.672 1.00 . A A . 16 CYS CB 1 1 17 9539 1 1 16 CYS H H -1.526 7.860 -1.376 1.00 . A A . 16 CYS H 1 1 17 9540 1 1 16 CYS HA H -0.923 6.481 0.980 1.00 . A A . 16 CYS HA 1 1 17 9541 1 1 16 CYS HB2 H -1.588 5.329 -1.731 1.00 . A A . 16 CYS HB2 1 1 17 9542 1 1 16 CYS HB3 H -1.670 4.473 -0.210 1.00 . A A . 16 CYS HB3 1 1 17 9543 1 1 16 CYS N N -0.841 7.709 -0.683 1.00 . A A . 16 CYS N 1 1 17 9544 1 1 16 CYS O O 1.141 5.061 0.604 1.00 . A A . 16 CYS O 1 1 17 9545 1 1 16 CYS SG S -3.508 5.983 -0.491 1.00 . A A . 16 CYS SG 1 1 17 9546 1 1 17 TYR C C 3.624 5.794 -0.607 1.00 . A A . 17 TYR C 1 1 17 9547 1 1 17 TYR CA C 2.603 5.562 -1.726 1.00 . A A . 17 TYR CA 1 1 17 9548 1 1 17 TYR CB C 3.131 6.177 -3.027 1.00 . A A . 17 TYR CB 1 1 17 9549 1 1 17 TYR CD1 C 1.496 4.696 -4.272 1.00 . A A . 17 TYR CD1 1 1 17 9550 1 1 17 TYR CD2 C 2.531 6.487 -5.455 1.00 . A A . 17 TYR CD2 1 1 17 9551 1 1 17 TYR CE1 C 0.811 4.331 -5.415 1.00 . A A . 17 TYR CE1 1 1 17 9552 1 1 17 TYR CE2 C 1.848 6.131 -6.600 1.00 . A A . 17 TYR CE2 1 1 17 9553 1 1 17 TYR CG C 2.368 5.779 -4.272 1.00 . A A . 17 TYR CG 1 1 17 9554 1 1 17 TYR CZ C 0.988 5.053 -6.576 1.00 . A A . 17 TYR CZ 1 1 17 9555 1 1 17 TYR H H 0.835 6.683 -2.052 1.00 . A A . 17 TYR H 1 1 17 9556 1 1 17 TYR HA H 2.507 4.497 -1.849 1.00 . A A . 17 TYR HA 1 1 17 9557 1 1 17 TYR HB2 H 3.091 7.251 -2.942 1.00 . A A . 17 TYR HB2 1 1 17 9558 1 1 17 TYR HB3 H 4.163 5.877 -3.172 1.00 . A A . 17 TYR HB3 1 1 17 9559 1 1 17 TYR HD1 H 1.342 4.121 -3.378 1.00 . A A . 17 TYR HD1 1 1 17 9560 1 1 17 TYR HD2 H 3.205 7.332 -5.477 1.00 . A A . 17 TYR HD2 1 1 17 9561 1 1 17 TYR HE1 H 0.138 3.487 -5.394 1.00 . A A . 17 TYR HE1 1 1 17 9562 1 1 17 TYR HE2 H 1.988 6.697 -7.509 1.00 . A A . 17 TYR HE2 1 1 17 9563 1 1 17 TYR HH H -0.507 5.186 -7.777 1.00 . A A . 17 TYR HH 1 1 17 9564 1 1 17 TYR N N 1.281 6.100 -1.395 1.00 . A A . 17 TYR N 1 1 17 9565 1 1 17 TYR O O 4.424 4.908 -0.300 1.00 . A A . 17 TYR O 1 1 17 9566 1 1 17 TYR OH O 0.314 4.691 -7.719 1.00 . A A . 17 TYR OH 1 1 17 9567 1 1 18 ALA C C 4.474 6.474 2.285 1.00 . A A . 18 ALA C 1 1 17 9568 1 1 18 ALA CA C 4.584 7.339 1.015 1.00 . A A . 18 ALA CA 1 1 17 9569 1 1 18 ALA CB C 4.504 8.828 1.340 1.00 . A A . 18 ALA CB 1 1 17 9570 1 1 18 ALA H H 2.922 7.646 -0.273 1.00 . A A . 18 ALA H 1 1 17 9571 1 1 18 ALA HA H 5.562 7.163 0.580 1.00 . A A . 18 ALA HA 1 1 17 9572 1 1 18 ALA HB1 H 5.304 9.342 0.827 1.00 . A A . 18 ALA HB1 1 1 17 9573 1 1 18 ALA HB2 H 4.609 8.992 2.405 1.00 . A A . 18 ALA HB2 1 1 17 9574 1 1 18 ALA HB3 H 3.559 9.235 1.011 1.00 . A A . 18 ALA HB3 1 1 17 9575 1 1 18 ALA N N 3.589 6.976 0.007 1.00 . A A . 18 ALA N 1 1 17 9576 1 1 18 ALA O O 5.447 5.802 2.650 1.00 . A A . 18 ALA O 1 1 17 9577 1 1 19 PRO C C 3.223 4.126 3.835 1.00 . A A . 19 PRO C 1 1 17 9578 1 1 19 PRO CA C 3.127 5.608 4.172 1.00 . A A . 19 PRO CA 1 1 17 9579 1 1 19 PRO CB C 1.716 5.955 4.668 1.00 . A A . 19 PRO CB 1 1 17 9580 1 1 19 PRO CD C 2.100 7.243 2.706 1.00 . A A . 19 PRO CD 1 1 17 9581 1 1 19 PRO CG C 1.389 7.255 4.025 1.00 . A A . 19 PRO CG 1 1 17 9582 1 1 19 PRO HA H 3.849 5.847 4.939 1.00 . A A . 19 PRO HA 1 1 17 9583 1 1 19 PRO HB2 H 1.006 5.190 4.376 1.00 . A A . 19 PRO HB2 1 1 17 9584 1 1 19 PRO HB3 H 1.727 6.046 5.744 1.00 . A A . 19 PRO HB3 1 1 17 9585 1 1 19 PRO HD2 H 1.491 6.779 1.972 1.00 . A A . 19 PRO HD2 1 1 17 9586 1 1 19 PRO HD3 H 2.337 8.244 2.422 1.00 . A A . 19 PRO HD3 1 1 17 9587 1 1 19 PRO HG2 H 0.322 7.335 3.877 1.00 . A A . 19 PRO HG2 1 1 17 9588 1 1 19 PRO HG3 H 1.747 8.069 4.637 1.00 . A A . 19 PRO HG3 1 1 17 9589 1 1 19 PRO N N 3.311 6.454 2.984 1.00 . A A . 19 PRO N 1 1 17 9590 1 1 19 PRO O O 3.665 3.325 4.655 1.00 . A A . 19 PRO O 1 1 17 9591 1 1 20 CYS C C 4.341 1.928 2.124 1.00 . A A . 20 CYS C 1 1 17 9592 1 1 20 CYS CA C 2.889 2.388 2.164 1.00 . A A . 20 CYS CA 1 1 17 9593 1 1 20 CYS CB C 2.254 2.248 0.779 1.00 . A A . 20 CYS CB 1 1 17 9594 1 1 20 CYS H H 2.471 4.454 2.001 1.00 . A A . 20 CYS H 1 1 17 9595 1 1 20 CYS HA H 2.344 1.769 2.865 1.00 . A A . 20 CYS HA 1 1 17 9596 1 1 20 CYS HB2 H 1.243 2.622 0.820 1.00 . A A . 20 CYS HB2 1 1 17 9597 1 1 20 CYS HB3 H 2.818 2.832 0.064 1.00 . A A . 20 CYS HB3 1 1 17 9598 1 1 20 CYS N N 2.815 3.770 2.621 1.00 . A A . 20 CYS N 1 1 17 9599 1 1 20 CYS O O 4.683 0.860 2.634 1.00 . A A . 20 CYS O 1 1 17 9600 1 1 20 CYS SG S 2.178 0.537 0.163 1.00 . A A . 20 CYS SG 1 1 17 9601 1 1 21 ARG C C 7.211 2.447 2.877 1.00 . A A . 21 ARG C 1 1 17 9602 1 1 21 ARG CA C 6.620 2.460 1.470 1.00 . A A . 21 ARG CA 1 1 17 9603 1 1 21 ARG CB C 7.342 3.498 0.604 1.00 . A A . 21 ARG CB 1 1 17 9604 1 1 21 ARG CD C 9.430 4.148 -0.646 1.00 . A A . 21 ARG CD 1 1 17 9605 1 1 21 ARG CG C 8.770 3.113 0.250 1.00 . A A . 21 ARG CG 1 1 17 9606 1 1 21 ARG CZ C 10.427 6.395 -0.474 1.00 . A A . 21 ARG CZ 1 1 17 9607 1 1 21 ARG H H 4.869 3.611 1.166 1.00 . A A . 21 ARG H 1 1 17 9608 1 1 21 ARG HA H 6.741 1.478 1.027 1.00 . A A . 21 ARG HA 1 1 17 9609 1 1 21 ARG HB2 H 6.787 3.630 -0.296 1.00 . A A . 21 ARG HB2 1 1 17 9610 1 1 21 ARG HB3 H 7.367 4.443 1.132 1.00 . A A . 21 ARG HB3 1 1 17 9611 1 1 21 ARG HD2 H 10.324 3.711 -1.067 1.00 . A A . 21 ARG HD2 1 1 17 9612 1 1 21 ARG HD3 H 8.753 4.411 -1.449 1.00 . A A . 21 ARG HD3 1 1 17 9613 1 1 21 ARG HE H 9.610 5.393 1.050 1.00 . A A . 21 ARG HE 1 1 17 9614 1 1 21 ARG HG2 H 9.347 3.012 1.156 1.00 . A A . 21 ARG HG2 1 1 17 9615 1 1 21 ARG HG3 H 8.748 2.178 -0.271 1.00 . A A . 21 ARG HG3 1 1 17 9616 1 1 21 ARG HH11 H 10.310 5.687 -2.380 1.00 . A A . 21 ARG HH11 1 1 17 9617 1 1 21 ARG HH12 H 11.099 7.210 -2.200 1.00 . A A . 21 ARG HH12 1 1 17 9618 1 1 21 ARG HH21 H 10.669 7.402 1.268 1.00 . A A . 21 ARG HH21 1 1 17 9619 1 1 21 ARG HH22 H 11.306 8.190 -0.136 1.00 . A A . 21 ARG HH22 1 1 17 9620 1 1 21 ARG N N 5.197 2.758 1.540 1.00 . A A . 21 ARG N 1 1 17 9621 1 1 21 ARG NE N 9.800 5.361 0.083 1.00 . A A . 21 ARG NE 1 1 17 9622 1 1 21 ARG NH1 N 10.625 6.428 -1.789 1.00 . A A . 21 ARG NH1 1 1 17 9623 1 1 21 ARG NH2 N 10.833 7.411 0.280 1.00 . A A . 21 ARG NH2 1 1 17 9624 1 1 21 ARG O O 8.036 1.600 3.202 1.00 . A A . 21 ARG O 1 1 17 9625 1 1 22 LYS C C 6.868 2.191 5.862 1.00 . A A . 22 LYS C 1 1 17 9626 1 1 22 LYS CA C 7.216 3.466 5.092 1.00 . A A . 22 LYS CA 1 1 17 9627 1 1 22 LYS CB C 6.602 4.709 5.764 1.00 . A A . 22 LYS CB 1 1 17 9628 1 1 22 LYS CD C 5.995 4.219 8.167 1.00 . A A . 22 LYS CD 1 1 17 9629 1 1 22 LYS CE C 6.442 4.293 9.621 1.00 . A A . 22 LYS CE 1 1 17 9630 1 1 22 LYS CG C 6.984 4.902 7.231 1.00 . A A . 22 LYS CG 1 1 17 9631 1 1 22 LYS H H 6.081 4.022 3.395 1.00 . A A . 22 LYS H 1 1 17 9632 1 1 22 LYS HA H 8.292 3.577 5.080 1.00 . A A . 22 LYS HA 1 1 17 9633 1 1 22 LYS HB2 H 6.933 5.583 5.221 1.00 . A A . 22 LYS HB2 1 1 17 9634 1 1 22 LYS HB3 H 5.525 4.646 5.686 1.00 . A A . 22 LYS HB3 1 1 17 9635 1 1 22 LYS HD2 H 5.040 4.712 8.079 1.00 . A A . 22 LYS HD2 1 1 17 9636 1 1 22 LYS HD3 H 5.884 3.185 7.900 1.00 . A A . 22 LYS HD3 1 1 17 9637 1 1 22 LYS HE2 H 5.759 3.709 10.219 1.00 . A A . 22 LYS HE2 1 1 17 9638 1 1 22 LYS HE3 H 7.435 3.871 9.705 1.00 . A A . 22 LYS HE3 1 1 17 9639 1 1 22 LYS HG2 H 7.973 4.496 7.402 1.00 . A A . 22 LYS HG2 1 1 17 9640 1 1 22 LYS HG3 H 6.991 5.961 7.447 1.00 . A A . 22 LYS HG3 1 1 17 9641 1 1 22 LYS HZ1 H 5.523 6.123 10.048 1.00 . A A . 22 LYS HZ1 1 1 17 9642 1 1 22 LYS HZ2 H 7.157 6.257 9.627 1.00 . A A . 22 LYS HZ2 1 1 17 9643 1 1 22 LYS HZ3 H 6.723 5.678 11.154 1.00 . A A . 22 LYS HZ3 1 1 17 9644 1 1 22 LYS N N 6.757 3.377 3.710 1.00 . A A . 22 LYS N 1 1 17 9645 1 1 22 LYS NZ N 6.462 5.684 10.147 1.00 . A A . 22 LYS NZ 1 1 17 9646 1 1 22 LYS O O 7.631 1.745 6.721 1.00 . A A . 22 LYS O 1 1 17 9647 1 1 23 GLN C C 5.892 -0.867 5.634 1.00 . A A . 23 GLN C 1 1 17 9648 1 1 23 GLN CA C 5.271 0.400 6.225 1.00 . A A . 23 GLN CA 1 1 17 9649 1 1 23 GLN CB C 3.745 0.288 6.176 1.00 . A A . 23 GLN CB 1 1 17 9650 1 1 23 GLN CD C 1.727 -1.185 6.630 1.00 . A A . 23 GLN CD 1 1 17 9651 1 1 23 GLN CG C 3.228 -1.021 6.757 1.00 . A A . 23 GLN CG 1 1 17 9652 1 1 23 GLN H H 5.151 1.988 4.842 1.00 . A A . 23 GLN H 1 1 17 9653 1 1 23 GLN HA H 5.568 0.468 7.265 1.00 . A A . 23 GLN HA 1 1 17 9654 1 1 23 GLN HB2 H 3.315 1.105 6.737 1.00 . A A . 23 GLN HB2 1 1 17 9655 1 1 23 GLN HB3 H 3.424 0.357 5.147 1.00 . A A . 23 GLN HB3 1 1 17 9656 1 1 23 GLN HE21 H 1.696 -2.367 8.239 1.00 . A A . 23 GLN HE21 1 1 17 9657 1 1 23 GLN HE22 H 0.174 -2.071 7.478 1.00 . A A . 23 GLN HE22 1 1 17 9658 1 1 23 GLN HG2 H 3.686 -1.851 6.243 1.00 . A A . 23 GLN HG2 1 1 17 9659 1 1 23 GLN HG3 H 3.494 -1.059 7.804 1.00 . A A . 23 GLN HG3 1 1 17 9660 1 1 23 GLN N N 5.724 1.600 5.543 1.00 . A A . 23 GLN N 1 1 17 9661 1 1 23 GLN NE2 N 1.145 -1.949 7.539 1.00 . A A . 23 GLN NE2 1 1 17 9662 1 1 23 GLN O O 6.611 -1.593 6.324 1.00 . A A . 23 GLN O 1 1 17 9663 1 1 23 GLN OE1 O 1.101 -0.648 5.715 1.00 . A A . 23 GLN OE1 1 1 17 9664 1 1 24 THR C C 7.154 -2.308 2.805 1.00 . A A . 24 THR C 1 1 17 9665 1 1 24 THR CA C 5.964 -2.418 3.769 1.00 . A A . 24 THR CA 1 1 17 9666 1 1 24 THR CB C 4.740 -3.042 3.052 1.00 . A A . 24 THR CB 1 1 17 9667 1 1 24 THR CG2 C 4.380 -2.266 1.790 1.00 . A A . 24 THR CG2 1 1 17 9668 1 1 24 THR H H 5.042 -0.516 3.854 1.00 . A A . 24 THR H 1 1 17 9669 1 1 24 THR HA H 6.254 -3.097 4.562 1.00 . A A . 24 THR HA 1 1 17 9670 1 1 24 THR HB H 3.889 -3.007 3.718 1.00 . A A . 24 THR HB 1 1 17 9671 1 1 24 THR HG1 H 5.709 -4.489 2.074 1.00 . A A . 24 THR HG1 1 1 17 9672 1 1 24 THR HG21 H 4.588 -1.224 1.911 1.00 . A A . 24 THR HG21 1 1 17 9673 1 1 24 THR HG22 H 3.329 -2.395 1.581 1.00 . A A . 24 THR HG22 1 1 17 9674 1 1 24 THR HG23 H 4.956 -2.651 0.960 1.00 . A A . 24 THR HG23 1 1 17 9675 1 1 24 THR N N 5.617 -1.133 4.361 1.00 . A A . 24 THR N 1 1 17 9676 1 1 24 THR O O 7.569 -3.297 2.198 1.00 . A A . 24 THR O 1 1 17 9677 1 1 24 THR OG1 O 4.994 -4.413 2.719 1.00 . A A . 24 THR OG1 1 1 17 9678 1 1 25 GLY C C 8.620 -0.698 0.388 1.00 . A A . 25 GLY C 1 1 17 9679 1 1 25 GLY CA C 8.903 -0.939 1.857 1.00 . A A . 25 GLY CA 1 1 17 9680 1 1 25 GLY H H 7.357 -0.334 3.152 1.00 . A A . 25 GLY H 1 1 17 9681 1 1 25 GLY HA2 H 9.455 -0.094 2.237 1.00 . A A . 25 GLY HA2 1 1 17 9682 1 1 25 GLY HA3 H 9.531 -1.818 1.948 1.00 . A A . 25 GLY HA3 1 1 17 9683 1 1 25 GLY N N 7.704 -1.108 2.661 1.00 . A A . 25 GLY N 1 1 17 9684 1 1 25 GLY O O 9.314 0.076 -0.267 1.00 . A A . 25 GLY O 1 1 17 9685 1 1 26 CYS C C 6.058 -0.328 -1.710 1.00 . A A . 26 CYS C 1 1 17 9686 1 1 26 CYS CA C 7.270 -1.237 -1.544 1.00 . A A . 26 CYS CA 1 1 17 9687 1 1 26 CYS CB C 7.024 -2.623 -2.147 1.00 . A A . 26 CYS CB 1 1 17 9688 1 1 26 CYS H H 7.077 -1.971 0.408 1.00 . A A . 26 CYS H 1 1 17 9689 1 1 26 CYS HA H 8.120 -0.814 -2.057 1.00 . A A . 26 CYS HA 1 1 17 9690 1 1 26 CYS HB2 H 6.170 -3.077 -1.666 1.00 . A A . 26 CYS HB2 1 1 17 9691 1 1 26 CYS HB3 H 6.832 -2.521 -3.202 1.00 . A A . 26 CYS HB3 1 1 17 9692 1 1 26 CYS N N 7.607 -1.360 -0.136 1.00 . A A . 26 CYS N 1 1 17 9693 1 1 26 CYS O O 4.963 -0.649 -1.253 1.00 . A A . 26 CYS O 1 1 17 9694 1 1 26 CYS SG S 8.446 -3.758 -1.953 1.00 . A A . 26 CYS SG 1 1 17 9695 1 1 27 PRO C C 4.152 1.662 -3.482 1.00 . A A . 27 PRO C 1 1 17 9696 1 1 27 PRO CA C 5.246 1.898 -2.444 1.00 . A A . 27 PRO CA 1 1 17 9697 1 1 27 PRO CB C 6.094 3.096 -2.853 1.00 . A A . 27 PRO CB 1 1 17 9698 1 1 27 PRO CD C 7.473 1.177 -3.124 1.00 . A A . 27 PRO CD 1 1 17 9699 1 1 27 PRO CG C 7.123 2.500 -3.748 1.00 . A A . 27 PRO CG 1 1 17 9700 1 1 27 PRO HA H 4.795 2.090 -1.481 1.00 . A A . 27 PRO HA 1 1 17 9701 1 1 27 PRO HB2 H 5.502 3.843 -3.365 1.00 . A A . 27 PRO HB2 1 1 17 9702 1 1 27 PRO HB3 H 6.546 3.535 -1.995 1.00 . A A . 27 PRO HB3 1 1 17 9703 1 1 27 PRO HD2 H 7.686 0.443 -3.887 1.00 . A A . 27 PRO HD2 1 1 17 9704 1 1 27 PRO HD3 H 8.315 1.290 -2.457 1.00 . A A . 27 PRO HD3 1 1 17 9705 1 1 27 PRO HG2 H 6.715 2.356 -4.738 1.00 . A A . 27 PRO HG2 1 1 17 9706 1 1 27 PRO HG3 H 7.993 3.138 -3.787 1.00 . A A . 27 PRO HG3 1 1 17 9707 1 1 27 PRO N N 6.250 0.824 -2.375 1.00 . A A . 27 PRO N 1 1 17 9708 1 1 27 PRO O O 3.595 2.612 -4.024 1.00 . A A . 27 PRO O 1 1 17 9709 1 1 28 ASN C C 1.512 -0.292 -3.947 1.00 . A A . 28 ASN C 1 1 17 9710 1 1 28 ASN CA C 2.782 0.088 -4.705 1.00 . A A . 28 ASN CA 1 1 17 9711 1 1 28 ASN CB C 3.216 -1.017 -5.682 1.00 . A A . 28 ASN CB 1 1 17 9712 1 1 28 ASN CG C 3.741 -2.263 -4.995 1.00 . A A . 28 ASN CG 1 1 17 9713 1 1 28 ASN H H 4.314 -0.320 -3.332 1.00 . A A . 28 ASN H 1 1 17 9714 1 1 28 ASN HA H 2.569 0.972 -5.300 1.00 . A A . 28 ASN HA 1 1 17 9715 1 1 28 ASN HB2 H 2.377 -1.291 -6.308 1.00 . A A . 28 ASN HB2 1 1 17 9716 1 1 28 ASN HB3 H 4.003 -0.626 -6.312 1.00 . A A . 28 ASN HB3 1 1 17 9717 1 1 28 ASN HD21 H 2.047 -3.217 -5.305 1.00 . A A . 28 ASN HD21 1 1 17 9718 1 1 28 ASN HD22 H 3.234 -4.098 -4.452 1.00 . A A . 28 ASN HD22 1 1 17 9719 1 1 28 ASN N N 3.855 0.411 -3.774 1.00 . A A . 28 ASN N 1 1 17 9720 1 1 28 ASN ND2 N 2.918 -3.293 -4.913 1.00 . A A . 28 ASN ND2 1 1 17 9721 1 1 28 ASN O O 1.425 -1.356 -3.325 1.00 . A A . 28 ASN O 1 1 17 9722 1 1 28 ASN OD1 O 4.896 -2.306 -4.572 1.00 . A A . 28 ASN OD1 1 1 17 9723 1 1 29 ALA C C -1.918 0.876 -4.027 1.00 . A A . 29 ALA C 1 1 17 9724 1 1 29 ALA CA C -0.701 0.410 -3.236 1.00 . A A . 29 ALA CA 1 1 17 9725 1 1 29 ALA CB C -0.627 1.157 -1.913 1.00 . A A . 29 ALA CB 1 1 17 9726 1 1 29 ALA H H 0.653 1.441 -4.484 1.00 . A A . 29 ALA H 1 1 17 9727 1 1 29 ALA HA H -0.826 -0.641 -3.021 1.00 . A A . 29 ALA HA 1 1 17 9728 1 1 29 ALA HB1 H -1.001 0.523 -1.130 1.00 . A A . 29 ALA HB1 1 1 17 9729 1 1 29 ALA HB2 H -1.226 2.060 -1.952 1.00 . A A . 29 ALA HB2 1 1 17 9730 1 1 29 ALA HB3 H 0.388 1.429 -1.705 1.00 . A A . 29 ALA HB3 1 1 17 9731 1 1 29 ALA N N 0.529 0.598 -3.987 1.00 . A A . 29 ALA N 1 1 17 9732 1 1 29 ALA O O -1.810 1.711 -4.924 1.00 . A A . 29 ALA O 1 1 17 9733 1 1 30 LYS C C -5.344 0.937 -3.141 1.00 . A A . 30 LYS C 1 1 17 9734 1 1 30 LYS CA C -4.339 0.712 -4.267 1.00 . A A . 30 LYS CA 1 1 17 9735 1 1 30 LYS CB C -4.828 -0.379 -5.225 1.00 . A A . 30 LYS CB 1 1 17 9736 1 1 30 LYS CD C -6.516 -1.165 -6.898 1.00 . A A . 30 LYS CD 1 1 17 9737 1 1 30 LYS CE C -7.834 -0.877 -7.596 1.00 . A A . 30 LYS CE 1 1 17 9738 1 1 30 LYS CG C -6.136 -0.058 -5.928 1.00 . A A . 30 LYS CG 1 1 17 9739 1 1 30 LYS H H -3.075 -0.345 -2.954 1.00 . A A . 30 LYS H 1 1 17 9740 1 1 30 LYS HA H -4.212 1.638 -4.820 1.00 . A A . 30 LYS HA 1 1 17 9741 1 1 30 LYS HB2 H -4.067 -0.531 -5.978 1.00 . A A . 30 LYS HB2 1 1 17 9742 1 1 30 LYS HB3 H -4.955 -1.299 -4.668 1.00 . A A . 30 LYS HB3 1 1 17 9743 1 1 30 LYS HD2 H -5.743 -1.259 -7.647 1.00 . A A . 30 LYS HD2 1 1 17 9744 1 1 30 LYS HD3 H -6.607 -2.096 -6.354 1.00 . A A . 30 LYS HD3 1 1 17 9745 1 1 30 LYS HE2 H -8.617 -0.821 -6.854 1.00 . A A . 30 LYS HE2 1 1 17 9746 1 1 30 LYS HE3 H -7.759 0.071 -8.111 1.00 . A A . 30 LYS HE3 1 1 17 9747 1 1 30 LYS HG2 H -6.918 0.047 -5.189 1.00 . A A . 30 LYS HG2 1 1 17 9748 1 1 30 LYS HG3 H -6.023 0.868 -6.474 1.00 . A A . 30 LYS HG3 1 1 17 9749 1 1 30 LYS HZ1 H -7.447 -2.000 -9.318 1.00 . A A . 30 LYS HZ1 1 1 17 9750 1 1 30 LYS HZ2 H -9.088 -1.705 -9.042 1.00 . A A . 30 LYS HZ2 1 1 17 9751 1 1 30 LYS HZ3 H -8.273 -2.856 -8.111 1.00 . A A . 30 LYS HZ3 1 1 17 9752 1 1 30 LYS N N -3.068 0.323 -3.679 1.00 . A A . 30 LYS N 1 1 17 9753 1 1 30 LYS NZ N -8.183 -1.933 -8.584 1.00 . A A . 30 LYS NZ 1 1 17 9754 1 1 30 LYS O O -5.504 0.087 -2.264 1.00 . A A . 30 LYS O 1 1 17 9755 1 1 31 CYS C C -8.207 1.788 -2.073 1.00 . A A . 31 CYS C 1 1 17 9756 1 1 31 CYS CA C -6.839 2.454 -2.013 1.00 . A A . 31 CYS CA 1 1 17 9757 1 1 31 CYS CB C -7.000 3.975 -1.930 1.00 . A A . 31 CYS CB 1 1 17 9758 1 1 31 CYS H H -5.843 2.737 -3.861 1.00 . A A . 31 CYS H 1 1 17 9759 1 1 31 CYS HA H -6.341 2.123 -1.120 1.00 . A A . 31 CYS HA 1 1 17 9760 1 1 31 CYS HB2 H -7.356 4.236 -0.945 1.00 . A A . 31 CYS HB2 1 1 17 9761 1 1 31 CYS HB3 H -6.034 4.436 -2.083 1.00 . A A . 31 CYS HB3 1 1 17 9762 1 1 31 CYS N N -6.008 2.079 -3.144 1.00 . A A . 31 CYS N 1 1 17 9763 1 1 31 CYS O O -8.786 1.601 -3.145 1.00 . A A . 31 CYS O 1 1 17 9764 1 1 31 CYS SG S -8.146 4.683 -3.156 1.00 . A A . 31 CYS SG 1 1 17 9765 1 1 32 ILE C C -10.744 1.782 0.302 1.00 . A A . 32 ILE C 1 1 17 9766 1 1 32 ILE CA C -10.057 0.925 -0.750 1.00 . A A . 32 ILE CA 1 1 17 9767 1 1 32 ILE CB C -10.098 -0.563 -0.327 1.00 . A A . 32 ILE CB 1 1 17 9768 1 1 32 ILE CD1 C -9.299 -2.217 1.453 1.00 . A A . 32 ILE CD1 1 1 17 9769 1 1 32 ILE CG1 C -9.277 -0.787 0.950 1.00 . A A . 32 ILE CG1 1 1 17 9770 1 1 32 ILE CG2 C -9.591 -1.451 -1.457 1.00 . A A . 32 ILE CG2 1 1 17 9771 1 1 32 ILE H H -8.168 1.566 -0.093 1.00 . A A . 32 ILE H 1 1 17 9772 1 1 32 ILE HA H -10.597 1.036 -1.687 1.00 . A A . 32 ILE HA 1 1 17 9773 1 1 32 ILE HB H -11.127 -0.836 -0.135 1.00 . A A . 32 ILE HB 1 1 17 9774 1 1 32 ILE HD11 H -8.754 -2.850 0.769 1.00 . A A . 32 ILE HD11 1 1 17 9775 1 1 32 ILE HD12 H -10.321 -2.562 1.527 1.00 . A A . 32 ILE HD12 1 1 17 9776 1 1 32 ILE HD13 H -8.835 -2.261 2.427 1.00 . A A . 32 ILE HD13 1 1 17 9777 1 1 32 ILE HG12 H -8.247 -0.523 0.763 1.00 . A A . 32 ILE HG12 1 1 17 9778 1 1 32 ILE HG13 H -9.662 -0.162 1.742 1.00 . A A . 32 ILE HG13 1 1 17 9779 1 1 32 ILE HG21 H -10.152 -1.246 -2.359 1.00 . A A . 32 ILE HG21 1 1 17 9780 1 1 32 ILE HG22 H -9.719 -2.490 -1.192 1.00 . A A . 32 ILE HG22 1 1 17 9781 1 1 32 ILE HG23 H -8.544 -1.251 -1.636 1.00 . A A . 32 ILE HG23 1 1 17 9782 1 1 32 ILE N N -8.699 1.410 -0.908 1.00 . A A . 32 ILE N 1 1 17 9783 1 1 32 ILE O O -10.062 2.434 1.102 1.00 . A A . 32 ILE O 1 1 17 9784 1 1 33 ASN C C -12.667 2.200 2.655 1.00 . A A . 33 ASN C 1 1 17 9785 1 1 33 ASN CA C -12.849 2.641 1.205 1.00 . A A . 33 ASN CA 1 1 17 9786 1 1 33 ASN CB C -14.334 2.624 0.838 1.00 . A A . 33 ASN CB 1 1 17 9787 1 1 33 ASN CG C -15.143 3.602 1.672 1.00 . A A . 33 ASN CG 1 1 17 9788 1 1 33 ASN H H -12.553 1.271 -0.391 1.00 . A A . 33 ASN H 1 1 17 9789 1 1 33 ASN HA H -12.484 3.658 1.107 1.00 . A A . 33 ASN HA 1 1 17 9790 1 1 33 ASN HB2 H -14.441 2.896 -0.202 1.00 . A A . 33 ASN HB2 1 1 17 9791 1 1 33 ASN HB3 H -14.729 1.627 0.986 1.00 . A A . 33 ASN HB3 1 1 17 9792 1 1 33 ASN HD21 H -16.735 2.400 1.632 1.00 . A A . 33 ASN HD21 1 1 17 9793 1 1 33 ASN HD22 H -16.918 3.882 2.499 1.00 . A A . 33 ASN HD22 1 1 17 9794 1 1 33 ASN N N -12.074 1.804 0.288 1.00 . A A . 33 ASN N 1 1 17 9795 1 1 33 ASN ND2 N -16.386 3.259 1.961 1.00 . A A . 33 ASN ND2 1 1 17 9796 1 1 33 ASN O O -13.552 1.585 3.252 1.00 . A A . 33 ASN O 1 1 17 9797 1 1 33 ASN OD1 O -14.644 4.654 2.074 1.00 . A A . 33 ASN OD1 1 1 17 9798 1 1 34 LYS C C -9.646 2.590 4.726 1.00 . A A . 34 LYS C 1 1 17 9799 1 1 34 LYS CA C -11.112 2.223 4.548 1.00 . A A . 34 LYS CA 1 1 17 9800 1 1 34 LYS CB C -11.311 0.737 4.886 1.00 . A A . 34 LYS CB 1 1 17 9801 1 1 34 LYS CD C -11.033 -1.095 6.603 1.00 . A A . 34 LYS CD 1 1 17 9802 1 1 34 LYS CE C -12.394 -1.701 6.305 1.00 . A A . 34 LYS CE 1 1 17 9803 1 1 34 LYS CG C -11.005 0.401 6.338 1.00 . A A . 34 LYS CG 1 1 17 9804 1 1 34 LYS H H -10.865 3.030 2.629 1.00 . A A . 34 LYS H 1 1 17 9805 1 1 34 LYS HA H -11.712 2.828 5.213 1.00 . A A . 34 LYS HA 1 1 17 9806 1 1 34 LYS HB2 H -12.333 0.466 4.700 1.00 . A A . 34 LYS HB2 1 1 17 9807 1 1 34 LYS HB3 H -10.668 0.141 4.251 1.00 . A A . 34 LYS HB3 1 1 17 9808 1 1 34 LYS HD2 H -10.294 -1.576 5.980 1.00 . A A . 34 LYS HD2 1 1 17 9809 1 1 34 LYS HD3 H -10.794 -1.268 7.642 1.00 . A A . 34 LYS HD3 1 1 17 9810 1 1 34 LYS HE2 H -13.157 -1.137 6.824 1.00 . A A . 34 LYS HE2 1 1 17 9811 1 1 34 LYS HE3 H -12.573 -1.657 5.241 1.00 . A A . 34 LYS HE3 1 1 17 9812 1 1 34 LYS HG2 H -10.022 0.767 6.593 1.00 . A A . 34 LYS HG2 1 1 17 9813 1 1 34 LYS HG3 H -11.740 0.882 6.968 1.00 . A A . 34 LYS HG3 1 1 17 9814 1 1 34 LYS HZ1 H -11.750 -3.687 6.250 1.00 . A A . 34 LYS HZ1 1 1 17 9815 1 1 34 LYS HZ2 H -13.407 -3.505 6.529 1.00 . A A . 34 LYS HZ2 1 1 17 9816 1 1 34 LYS HZ3 H -12.306 -3.187 7.771 1.00 . A A . 34 LYS HZ3 1 1 17 9817 1 1 34 LYS N N -11.501 2.527 3.188 1.00 . A A . 34 LYS N 1 1 17 9818 1 1 34 LYS NZ N -12.467 -3.116 6.744 1.00 . A A . 34 LYS NZ 1 1 17 9819 1 1 34 LYS O O -9.280 3.287 5.672 1.00 . A A . 34 LYS O 1 1 17 9820 1 1 35 SER C C -6.739 2.167 2.474 1.00 . A A . 35 SER C 1 1 17 9821 1 1 35 SER CA C -7.372 2.295 3.860 1.00 . A A . 35 SER CA 1 1 17 9822 1 1 35 SER CB C -6.785 1.211 4.780 1.00 . A A . 35 SER CB 1 1 17 9823 1 1 35 SER H H -9.196 1.631 3.019 1.00 . A A . 35 SER H 1 1 17 9824 1 1 35 SER HA H -7.137 3.272 4.263 1.00 . A A . 35 SER HA 1 1 17 9825 1 1 35 SER HB2 H -6.970 0.236 4.351 1.00 . A A . 35 SER HB2 1 1 17 9826 1 1 35 SER HB3 H -5.718 1.362 4.875 1.00 . A A . 35 SER HB3 1 1 17 9827 1 1 35 SER HG H -6.977 1.960 6.585 1.00 . A A . 35 SER HG 1 1 17 9828 1 1 35 SER N N -8.825 2.156 3.768 1.00 . A A . 35 SER N 1 1 17 9829 1 1 35 SER O O -7.398 1.774 1.513 1.00 . A A . 35 SER O 1 1 17 9830 1 1 35 SER OG O -7.362 1.241 6.077 1.00 . A A . 35 SER OG 1 1 17 9831 1 1 36 CYS C C -4.115 0.876 1.166 1.00 . A A . 36 CYS C 1 1 17 9832 1 1 36 CYS CA C -4.709 2.280 1.144 1.00 . A A . 36 CYS CA 1 1 17 9833 1 1 36 CYS CB C -3.594 3.323 1.005 1.00 . A A . 36 CYS CB 1 1 17 9834 1 1 36 CYS H H -4.975 2.803 3.178 1.00 . A A . 36 CYS H 1 1 17 9835 1 1 36 CYS HA H -5.373 2.378 0.309 1.00 . A A . 36 CYS HA 1 1 17 9836 1 1 36 CYS HB2 H -2.836 3.144 1.758 1.00 . A A . 36 CYS HB2 1 1 17 9837 1 1 36 CYS HB3 H -3.159 3.208 0.029 1.00 . A A . 36 CYS HB3 1 1 17 9838 1 1 36 CYS N N -5.459 2.497 2.374 1.00 . A A . 36 CYS N 1 1 17 9839 1 1 36 CYS O O -3.149 0.622 1.882 1.00 . A A . 36 CYS O 1 1 17 9840 1 1 36 CYS SG S -4.156 5.048 1.195 1.00 . A A . 36 CYS SG 1 1 17 9841 1 1 37 LYS C C -3.041 -1.658 -0.407 1.00 . A A . 37 LYS C 1 1 17 9842 1 1 37 LYS CA C -4.288 -1.430 0.436 1.00 . A A . 37 LYS CA 1 1 17 9843 1 1 37 LYS CB C -5.425 -2.341 -0.040 1.00 . A A . 37 LYS CB 1 1 17 9844 1 1 37 LYS CD C -6.243 -4.706 -0.414 1.00 . A A . 37 LYS CD 1 1 17 9845 1 1 37 LYS CE C -6.707 -4.418 -1.832 1.00 . A A . 37 LYS CE 1 1 17 9846 1 1 37 LYS CG C -5.071 -3.823 -0.010 1.00 . A A . 37 LYS CG 1 1 17 9847 1 1 37 LYS H H -5.473 0.223 -0.158 1.00 . A A . 37 LYS H 1 1 17 9848 1 1 37 LYS HA H -4.070 -1.685 1.469 1.00 . A A . 37 LYS HA 1 1 17 9849 1 1 37 LYS HB2 H -6.285 -2.180 0.596 1.00 . A A . 37 LYS HB2 1 1 17 9850 1 1 37 LYS HB3 H -5.680 -2.066 -1.051 1.00 . A A . 37 LYS HB3 1 1 17 9851 1 1 37 LYS HD2 H -5.937 -5.740 -0.352 1.00 . A A . 37 LYS HD2 1 1 17 9852 1 1 37 LYS HD3 H -7.065 -4.533 0.267 1.00 . A A . 37 LYS HD3 1 1 17 9853 1 1 37 LYS HE2 H -7.109 -3.418 -1.877 1.00 . A A . 37 LYS HE2 1 1 17 9854 1 1 37 LYS HE3 H -5.865 -4.500 -2.506 1.00 . A A . 37 LYS HE3 1 1 17 9855 1 1 37 LYS HG2 H -4.254 -4.008 -0.690 1.00 . A A . 37 LYS HG2 1 1 17 9856 1 1 37 LYS HG3 H -4.768 -4.088 0.993 1.00 . A A . 37 LYS HG3 1 1 17 9857 1 1 37 LYS HZ1 H -8.062 -5.148 -3.239 1.00 . A A . 37 LYS HZ1 1 1 17 9858 1 1 37 LYS HZ2 H -8.594 -5.302 -1.642 1.00 . A A . 37 LYS HZ2 1 1 17 9859 1 1 37 LYS HZ3 H -7.404 -6.347 -2.243 1.00 . A A . 37 LYS HZ3 1 1 17 9860 1 1 37 LYS N N -4.696 -0.035 0.395 1.00 . A A . 37 LYS N 1 1 17 9861 1 1 37 LYS NZ N -7.764 -5.370 -2.267 1.00 . A A . 37 LYS NZ 1 1 17 9862 1 1 37 LYS O O -3.080 -1.586 -1.635 1.00 . A A . 37 LYS O 1 1 17 9863 1 1 38 CYS C C -0.700 -3.714 -0.789 1.00 . A A . 38 CYS C 1 1 17 9864 1 1 38 CYS CA C -0.691 -2.243 -0.403 1.00 . A A . 38 CYS CA 1 1 17 9865 1 1 38 CYS CB C 0.495 -1.958 0.523 1.00 . A A . 38 CYS CB 1 1 17 9866 1 1 38 CYS H H -1.967 -1.947 1.251 1.00 . A A . 38 CYS H 1 1 17 9867 1 1 38 CYS HA H -0.596 -1.639 -1.290 1.00 . A A . 38 CYS HA 1 1 17 9868 1 1 38 CYS HB2 H 0.426 -2.600 1.392 1.00 . A A . 38 CYS HB2 1 1 17 9869 1 1 38 CYS HB3 H 1.414 -2.176 -0.001 1.00 . A A . 38 CYS HB3 1 1 17 9870 1 1 38 CYS N N -1.936 -1.914 0.265 1.00 . A A . 38 CYS N 1 1 17 9871 1 1 38 CYS O O -1.310 -4.535 -0.104 1.00 . A A . 38 CYS O 1 1 17 9872 1 1 38 CYS SG S 0.572 -0.243 1.128 1.00 . A A . 38 CYS SG 1 1 17 9873 1 1 39 TYR C C 1.198 -6.150 -1.608 1.00 . A A . 39 TYR C 1 1 17 9874 1 1 39 TYR CA C 0.058 -5.436 -2.326 1.00 . A A . 39 TYR CA 1 1 17 9875 1 1 39 TYR CB C 0.300 -5.520 -3.838 1.00 . A A . 39 TYR CB 1 1 17 9876 1 1 39 TYR CD1 C -1.905 -5.314 -5.064 1.00 . A A . 39 TYR CD1 1 1 17 9877 1 1 39 TYR CD2 C -0.386 -3.477 -5.146 1.00 . A A . 39 TYR CD2 1 1 17 9878 1 1 39 TYR CE1 C -2.792 -4.618 -5.867 1.00 . A A . 39 TYR CE1 1 1 17 9879 1 1 39 TYR CE2 C -1.268 -2.775 -5.942 1.00 . A A . 39 TYR CE2 1 1 17 9880 1 1 39 TYR CG C -0.688 -4.754 -4.691 1.00 . A A . 39 TYR CG 1 1 17 9881 1 1 39 TYR CZ C -2.466 -3.350 -6.303 1.00 . A A . 39 TYR CZ 1 1 17 9882 1 1 39 TYR H H 0.451 -3.350 -2.390 1.00 . A A . 39 TYR H 1 1 17 9883 1 1 39 TYR HA H -0.874 -5.939 -2.094 1.00 . A A . 39 TYR HA 1 1 17 9884 1 1 39 TYR HB2 H 1.291 -5.140 -4.058 1.00 . A A . 39 TYR HB2 1 1 17 9885 1 1 39 TYR HB3 H 0.259 -6.561 -4.137 1.00 . A A . 39 TYR HB3 1 1 17 9886 1 1 39 TYR HD1 H -2.159 -6.307 -4.720 1.00 . A A . 39 TYR HD1 1 1 17 9887 1 1 39 TYR HD2 H 0.524 -3.018 -4.854 1.00 . A A . 39 TYR HD2 1 1 17 9888 1 1 39 TYR HE1 H -3.733 -5.067 -6.148 1.00 . A A . 39 TYR HE1 1 1 17 9889 1 1 39 TYR HE2 H -1.014 -1.783 -6.284 1.00 . A A . 39 TYR HE2 1 1 17 9890 1 1 39 TYR HH H -4.201 -2.600 -6.701 1.00 . A A . 39 TYR HH 1 1 17 9891 1 1 39 TYR N N -0.025 -4.048 -1.880 1.00 . A A . 39 TYR N 1 1 17 9892 1 1 39 TYR O O 1.622 -7.232 -2.016 1.00 . A A . 39 TYR O 1 1 17 9893 1 1 39 TYR OH O -3.335 -2.654 -7.113 1.00 . A A . 39 TYR OH 1 1 17 9894 1 1 40 GLY C C 4.128 -5.623 -0.646 1.00 . A A . 40 GLY C 1 1 17 9895 1 1 40 GLY CA C 2.885 -6.027 0.117 1.00 . A A . 40 GLY CA 1 1 17 9896 1 1 40 GLY H H 1.348 -4.682 -0.246 1.00 . A A . 40 GLY H 1 1 17 9897 1 1 40 GLY HA2 H 2.932 -5.608 1.112 1.00 . A A . 40 GLY HA2 1 1 17 9898 1 1 40 GLY HA3 H 2.850 -7.107 0.191 1.00 . A A . 40 GLY HA3 1 1 17 9899 1 1 40 GLY N N 1.695 -5.534 -0.543 1.00 . A A . 40 GLY N 1 1 17 9900 1 1 40 GLY O O 4.979 -4.896 -0.133 1.00 . A A . 40 GLY O 1 1 17 9901 1 1 41 CYS C C 4.962 -6.309 -4.170 1.00 . A A . 41 CYS C 1 1 17 9902 1 1 41 CYS CA C 5.257 -5.708 -2.802 1.00 . A A . 41 CYS CA 1 1 17 9903 1 1 41 CYS CB C 6.626 -6.168 -2.301 1.00 . A A . 41 CYS CB 1 1 17 9904 1 1 41 CYS H H 3.488 -6.664 -2.220 1.00 . A A . 41 CYS H 1 1 17 9905 1 1 41 CYS HA H 5.245 -4.629 -2.892 1.00 . A A . 41 CYS HA 1 1 17 9906 1 1 41 CYS HB2 H 6.719 -5.964 -1.248 1.00 . A A . 41 CYS HB2 1 1 17 9907 1 1 41 CYS HB3 H 6.734 -7.234 -2.453 1.00 . A A . 41 CYS HB3 1 1 17 9908 1 1 41 CYS N N 4.205 -6.088 -1.882 1.00 . A A . 41 CYS N 1 1 17 9909 1 1 41 CYS O O 5.311 -7.487 -4.395 1.00 . A A . 41 CYS O 1 1 17 9910 1 1 41 CYS OXT O 4.346 -5.616 -5.002 1.00 . A A . 41 CYS OXT 1 1 17 9911 1 1 41 CYS SG S 8.020 -5.350 -3.143 1.00 . A A . 41 CYS SG 1 1 18 9912 1 1 1 TRP C C 5.448 2.446 10.458 1.00 . A A . 1 TRP C 1 1 18 9913 1 1 1 TRP CA C 5.966 1.069 10.861 1.00 . A A . 1 TRP CA 1 1 18 9914 1 1 1 TRP CB C 6.644 0.410 9.658 1.00 . A A . 1 TRP CB 1 1 18 9915 1 1 1 TRP CD1 C 7.262 -2.070 9.726 1.00 . A A . 1 TRP CD1 1 1 18 9916 1 1 1 TRP CD2 C 8.742 -0.723 10.729 1.00 . A A . 1 TRP CD2 1 1 18 9917 1 1 1 TRP CE2 C 9.199 -2.049 10.831 1.00 . A A . 1 TRP CE2 1 1 18 9918 1 1 1 TRP CE3 C 9.511 0.303 11.287 1.00 . A A . 1 TRP CE3 1 1 18 9919 1 1 1 TRP CG C 7.502 -0.760 10.015 1.00 . A A . 1 TRP CG 1 1 18 9920 1 1 1 TRP CH2 C 11.123 -1.351 12.010 1.00 . A A . 1 TRP CH2 1 1 18 9921 1 1 1 TRP CZ2 C 10.391 -2.375 11.471 1.00 . A A . 1 TRP CZ2 1 1 18 9922 1 1 1 TRP CZ3 C 10.693 -0.023 11.924 1.00 . A A . 1 TRP CZ3 1 1 18 9923 1 1 1 TRP H1 H 4.408 0.733 12.166 1.00 . A A . 1 TRP H1 1 1 18 9924 1 1 1 TRP H2 H 5.311 -0.661 11.751 1.00 . A A . 1 TRP H2 1 1 18 9925 1 1 1 TRP H3 H 4.209 0.007 10.632 1.00 . A A . 1 TRP H3 1 1 18 9926 1 1 1 TRP HA H 6.695 1.203 11.649 1.00 . A A . 1 TRP HA 1 1 18 9927 1 1 1 TRP HB2 H 5.885 0.067 9.002 1.00 . A A . 1 TRP HB2 1 1 18 9928 1 1 1 TRP HB3 H 7.266 1.132 9.150 1.00 . A A . 1 TRP HB3 1 1 18 9929 1 1 1 TRP HD1 H 6.395 -2.426 9.189 1.00 . A A . 1 TRP HD1 1 1 18 9930 1 1 1 TRP HE1 H 8.340 -3.827 10.125 1.00 . A A . 1 TRP HE1 1 1 18 9931 1 1 1 TRP HE3 H 9.194 1.334 11.229 1.00 . A A . 1 TRP HE3 1 1 18 9932 1 1 1 TRP HH2 H 12.053 -1.560 12.518 1.00 . A A . 1 TRP HH2 1 1 18 9933 1 1 1 TRP HZ2 H 10.739 -3.395 11.547 1.00 . A A . 1 TRP HZ2 1 1 18 9934 1 1 1 TRP HZ3 H 11.300 0.755 12.363 1.00 . A A . 1 TRP HZ3 1 1 18 9935 1 1 1 TRP N N 4.877 0.216 11.391 1.00 . A A . 1 TRP N 1 1 18 9936 1 1 1 TRP NE1 N 8.281 -2.852 10.209 1.00 . A A . 1 TRP NE1 1 1 18 9937 1 1 1 TRP O O 6.117 3.456 10.681 1.00 . A A . 1 TRP O 1 1 18 9938 1 1 2 CYS C C 2.803 4.324 10.562 1.00 . A A . 2 CYS C 1 1 18 9939 1 1 2 CYS CA C 3.688 3.765 9.450 1.00 . A A . 2 CYS CA 1 1 18 9940 1 1 2 CYS CB C 2.897 3.618 8.146 1.00 . A A . 2 CYS CB 1 1 18 9941 1 1 2 CYS H H 3.782 1.666 9.676 1.00 . A A . 2 CYS H 1 1 18 9942 1 1 2 CYS HA H 4.486 4.462 9.273 1.00 . A A . 2 CYS HA 1 1 18 9943 1 1 2 CYS HB2 H 2.436 4.564 7.904 1.00 . A A . 2 CYS HB2 1 1 18 9944 1 1 2 CYS HB3 H 3.588 3.361 7.355 1.00 . A A . 2 CYS HB3 1 1 18 9945 1 1 2 CYS N N 4.272 2.494 9.847 1.00 . A A . 2 CYS N 1 1 18 9946 1 1 2 CYS O O 1.653 3.919 10.726 1.00 . A A . 2 CYS O 1 1 18 9947 1 1 2 CYS SG S 1.605 2.334 8.179 1.00 . A A . 2 CYS SG 1 1 18 9948 1 1 3 SER C C 1.518 6.808 11.853 1.00 . A A . 3 SER C 1 1 18 9949 1 1 3 SER CA C 2.604 5.885 12.412 1.00 . A A . 3 SER CA 1 1 18 9950 1 1 3 SER CB C 3.564 6.666 13.303 1.00 . A A . 3 SER CB 1 1 18 9951 1 1 3 SER H H 4.282 5.533 11.164 1.00 . A A . 3 SER H 1 1 18 9952 1 1 3 SER HA H 2.132 5.111 13.005 1.00 . A A . 3 SER HA 1 1 18 9953 1 1 3 SER HB2 H 3.967 7.508 12.756 1.00 . A A . 3 SER HB2 1 1 18 9954 1 1 3 SER HB3 H 3.036 7.021 14.175 1.00 . A A . 3 SER HB3 1 1 18 9955 1 1 3 SER HG H 5.232 6.350 14.286 1.00 . A A . 3 SER HG 1 1 18 9956 1 1 3 SER N N 3.351 5.250 11.335 1.00 . A A . 3 SER N 1 1 18 9957 1 1 3 SER O O 0.593 7.201 12.562 1.00 . A A . 3 SER O 1 1 18 9958 1 1 3 SER OG O 4.641 5.843 13.724 1.00 . A A . 3 SER OG 1 1 18 9959 1 1 4 THR C C -0.515 7.136 9.372 1.00 . A A . 4 THR C 1 1 18 9960 1 1 4 THR CA C 0.656 7.970 9.891 1.00 . A A . 4 THR CA 1 1 18 9961 1 1 4 THR CB C 1.301 8.732 8.719 1.00 . A A . 4 THR CB 1 1 18 9962 1 1 4 THR CG2 C 2.084 9.936 9.214 1.00 . A A . 4 THR CG2 1 1 18 9963 1 1 4 THR H H 2.391 6.804 10.043 1.00 . A A . 4 THR H 1 1 18 9964 1 1 4 THR HA H 0.263 8.690 10.603 1.00 . A A . 4 THR HA 1 1 18 9965 1 1 4 THR HB H 0.532 9.093 8.044 1.00 . A A . 4 THR HB 1 1 18 9966 1 1 4 THR HG1 H 1.659 7.316 7.389 1.00 . A A . 4 THR HG1 1 1 18 9967 1 1 4 THR HG21 H 2.867 9.609 9.883 1.00 . A A . 4 THR HG21 1 1 18 9968 1 1 4 THR HG22 H 1.421 10.610 9.737 1.00 . A A . 4 THR HG22 1 1 18 9969 1 1 4 THR HG23 H 2.523 10.449 8.371 1.00 . A A . 4 THR HG23 1 1 18 9970 1 1 4 THR N N 1.637 7.137 10.571 1.00 . A A . 4 THR N 1 1 18 9971 1 1 4 THR O O -1.426 7.655 8.729 1.00 . A A . 4 THR O 1 1 18 9972 1 1 4 THR OG1 O 2.174 7.859 7.991 1.00 . A A . 4 THR OG1 1 1 18 9973 1 1 5 CYS C C -2.695 4.960 10.288 1.00 . A A . 5 CYS C 1 1 18 9974 1 1 5 CYS CA C -1.572 4.950 9.256 1.00 . A A . 5 CYS CA 1 1 18 9975 1 1 5 CYS CB C -1.060 3.523 9.038 1.00 . A A . 5 CYS CB 1 1 18 9976 1 1 5 CYS H H 0.246 5.455 10.169 1.00 . A A . 5 CYS H 1 1 18 9977 1 1 5 CYS HA H -1.982 5.312 8.320 1.00 . A A . 5 CYS HA 1 1 18 9978 1 1 5 CYS HB2 H -0.475 3.227 9.890 1.00 . A A . 5 CYS HB2 1 1 18 9979 1 1 5 CYS HB3 H -1.904 2.849 8.946 1.00 . A A . 5 CYS HB3 1 1 18 9980 1 1 5 CYS N N -0.490 5.840 9.658 1.00 . A A . 5 CYS N 1 1 18 9981 1 1 5 CYS O O -3.075 3.920 10.830 1.00 . A A . 5 CYS O 1 1 18 9982 1 1 5 CYS SG S -0.049 3.317 7.534 1.00 . A A . 5 CYS SG 1 1 18 9983 1 1 6 LEU C C -5.633 6.189 10.591 1.00 . A A . 6 LEU C 1 1 18 9984 1 1 6 LEU CA C -4.372 6.296 11.432 1.00 . A A . 6 LEU CA 1 1 18 9985 1 1 6 LEU CB C -4.340 7.644 12.158 1.00 . A A . 6 LEU CB 1 1 18 9986 1 1 6 LEU CD1 C -3.164 9.286 13.632 1.00 . A A . 6 LEU CD1 1 1 18 9987 1 1 6 LEU CD2 C -3.032 6.841 14.137 1.00 . A A . 6 LEU CD2 1 1 18 9988 1 1 6 LEU CG C -3.115 7.887 13.037 1.00 . A A . 6 LEU CG 1 1 18 9989 1 1 6 LEU H H -2.880 6.945 10.101 1.00 . A A . 6 LEU H 1 1 18 9990 1 1 6 LEU HA H -4.376 5.498 12.164 1.00 . A A . 6 LEU HA 1 1 18 9991 1 1 6 LEU HB2 H -4.380 8.430 11.414 1.00 . A A . 6 LEU HB2 1 1 18 9992 1 1 6 LEU HB3 H -5.225 7.718 12.780 1.00 . A A . 6 LEU HB3 1 1 18 9993 1 1 6 LEU HD11 H -2.281 9.456 14.232 1.00 . A A . 6 LEU HD11 1 1 18 9994 1 1 6 LEU HD12 H -4.044 9.390 14.252 1.00 . A A . 6 LEU HD12 1 1 18 9995 1 1 6 LEU HD13 H -3.198 10.018 12.836 1.00 . A A . 6 LEU HD13 1 1 18 9996 1 1 6 LEU HD21 H -2.903 5.862 13.701 1.00 . A A . 6 LEU HD21 1 1 18 9997 1 1 6 LEU HD22 H -3.938 6.856 14.726 1.00 . A A . 6 LEU HD22 1 1 18 9998 1 1 6 LEU HD23 H -2.187 7.055 14.778 1.00 . A A . 6 LEU HD23 1 1 18 9999 1 1 6 LEU HG H -2.223 7.811 12.432 1.00 . A A . 6 LEU HG 1 1 18 10000 1 1 6 LEU N N -3.215 6.149 10.562 1.00 . A A . 6 LEU N 1 1 18 10001 1 1 6 LEU O O -6.468 5.310 10.802 1.00 . A A . 6 LEU O 1 1 18 10002 1 1 7 ASP C C -6.317 7.575 7.312 1.00 . A A . 7 ASP C 1 1 18 10003 1 1 7 ASP CA C -6.820 7.048 8.647 1.00 . A A . 7 ASP CA 1 1 18 10004 1 1 7 ASP CB C -8.023 7.874 9.105 1.00 . A A . 7 ASP CB 1 1 18 10005 1 1 7 ASP CG C -9.108 7.933 8.045 1.00 . A A . 7 ASP CG 1 1 18 10006 1 1 7 ASP H H -5.031 7.759 9.507 1.00 . A A . 7 ASP H 1 1 18 10007 1 1 7 ASP HA H -7.135 6.016 8.524 1.00 . A A . 7 ASP HA 1 1 18 10008 1 1 7 ASP HB2 H -8.439 7.430 9.997 1.00 . A A . 7 ASP HB2 1 1 18 10009 1 1 7 ASP HB3 H -7.701 8.882 9.324 1.00 . A A . 7 ASP HB3 1 1 18 10010 1 1 7 ASP N N -5.745 7.088 9.625 1.00 . A A . 7 ASP N 1 1 18 10011 1 1 7 ASP O O -5.829 8.702 7.224 1.00 . A A . 7 ASP O 1 1 18 10012 1 1 7 ASP OD1 O -9.892 6.967 7.934 1.00 . A A . 7 ASP OD1 1 1 18 10013 1 1 7 ASP OD2 O -9.167 8.940 7.305 1.00 . A A . 7 ASP OD2 1 1 18 10014 1 1 8 LEU C C -6.879 6.612 3.883 1.00 . A A . 8 LEU C 1 1 18 10015 1 1 8 LEU CA C -5.937 7.130 4.959 1.00 . A A . 8 LEU CA 1 1 18 10016 1 1 8 LEU CB C -4.499 6.627 4.720 1.00 . A A . 8 LEU CB 1 1 18 10017 1 1 8 LEU CD1 C -2.956 4.711 4.237 1.00 . A A . 8 LEU CD1 1 1 18 10018 1 1 8 LEU CD2 C -4.163 4.766 6.403 1.00 . A A . 8 LEU CD2 1 1 18 10019 1 1 8 LEU CG C -4.247 5.122 4.925 1.00 . A A . 8 LEU CG 1 1 18 10020 1 1 8 LEU H H -6.799 5.853 6.412 1.00 . A A . 8 LEU H 1 1 18 10021 1 1 8 LEU HA H -5.934 8.212 4.887 1.00 . A A . 8 LEU HA 1 1 18 10022 1 1 8 LEU HB2 H -4.227 6.886 3.702 1.00 . A A . 8 LEU HB2 1 1 18 10023 1 1 8 LEU HB3 H -3.843 7.177 5.383 1.00 . A A . 8 LEU HB3 1 1 18 10024 1 1 8 LEU HD11 H -2.989 4.990 3.207 1.00 . A A . 8 LEU HD11 1 1 18 10025 1 1 8 LEU HD12 H -2.831 3.640 4.309 1.00 . A A . 8 LEU HD12 1 1 18 10026 1 1 8 LEU HD13 H -2.116 5.202 4.712 1.00 . A A . 8 LEU HD13 1 1 18 10027 1 1 8 LEU HD21 H -5.155 4.628 6.797 1.00 . A A . 8 LEU HD21 1 1 18 10028 1 1 8 LEU HD22 H -3.668 5.556 6.950 1.00 . A A . 8 LEU HD22 1 1 18 10029 1 1 8 LEU HD23 H -3.608 3.844 6.534 1.00 . A A . 8 LEU HD23 1 1 18 10030 1 1 8 LEU HG H -5.057 4.558 4.485 1.00 . A A . 8 LEU HG 1 1 18 10031 1 1 8 LEU N N -6.417 6.753 6.281 1.00 . A A . 8 LEU N 1 1 18 10032 1 1 8 LEU O O -6.494 6.441 2.719 1.00 . A A . 8 LEU O 1 1 18 10033 1 1 9 ALA C C -9.384 6.708 2.191 1.00 . A A . 9 ALA C 1 1 18 10034 1 1 9 ALA CA C -9.154 5.838 3.422 1.00 . A A . 9 ALA CA 1 1 18 10035 1 1 9 ALA CB C -10.444 5.653 4.202 1.00 . A A . 9 ALA CB 1 1 18 10036 1 1 9 ALA H H -8.376 6.611 5.216 1.00 . A A . 9 ALA H 1 1 18 10037 1 1 9 ALA HA H -8.816 4.858 3.106 1.00 . A A . 9 ALA HA 1 1 18 10038 1 1 9 ALA HB1 H -10.815 6.616 4.525 1.00 . A A . 9 ALA HB1 1 1 18 10039 1 1 9 ALA HB2 H -10.253 5.035 5.067 1.00 . A A . 9 ALA HB2 1 1 18 10040 1 1 9 ALA HB3 H -11.183 5.174 3.575 1.00 . A A . 9 ALA HB3 1 1 18 10041 1 1 9 ALA N N -8.128 6.411 4.286 1.00 . A A . 9 ALA N 1 1 18 10042 1 1 9 ALA O O -10.243 7.591 2.186 1.00 . A A . 9 ALA O 1 1 18 10043 1 1 10 CYS C C -8.170 8.626 0.122 1.00 . A A . 10 CYS C 1 1 18 10044 1 1 10 CYS CA C -8.621 7.192 -0.083 1.00 . A A . 10 CYS CA 1 1 18 10045 1 1 10 CYS CB C -10.012 7.142 -0.725 1.00 . A A . 10 CYS CB 1 1 18 10046 1 1 10 CYS H H -7.896 5.747 1.257 1.00 . A A . 10 CYS H 1 1 18 10047 1 1 10 CYS HA H -7.902 6.754 -0.731 1.00 . A A . 10 CYS HA 1 1 18 10048 1 1 10 CYS HB2 H -10.775 7.311 0.010 1.00 . A A . 10 CYS HB2 1 1 18 10049 1 1 10 CYS HB3 H -10.088 7.909 -1.486 1.00 . A A . 10 CYS HB3 1 1 18 10050 1 1 10 CYS N N -8.574 6.455 1.169 1.00 . A A . 10 CYS N 1 1 18 10051 1 1 10 CYS O O -8.798 9.565 -0.365 1.00 . A A . 10 CYS O 1 1 18 10052 1 1 10 CYS SG S -10.386 5.559 -1.550 1.00 . A A . 10 CYS SG 1 1 18 10053 1 1 11 THR C C -5.502 10.344 -0.188 1.00 . A A . 11 THR C 1 1 18 10054 1 1 11 THR CA C -6.449 10.099 0.992 1.00 . A A . 11 THR CA 1 1 18 10055 1 1 11 THR CB C -5.690 10.208 2.338 1.00 . A A . 11 THR CB 1 1 18 10056 1 1 11 THR CG2 C -4.417 9.372 2.321 1.00 . A A . 11 THR CG2 1 1 18 10057 1 1 11 THR H H -6.591 8.003 1.197 1.00 . A A . 11 THR H 1 1 18 10058 1 1 11 THR HA H -7.226 10.856 0.973 1.00 . A A . 11 THR HA 1 1 18 10059 1 1 11 THR HB H -6.324 9.835 3.130 1.00 . A A . 11 THR HB 1 1 18 10060 1 1 11 THR HG1 H -4.795 11.946 1.939 1.00 . A A . 11 THR HG1 1 1 18 10061 1 1 11 THR HG21 H -4.601 8.411 1.861 1.00 . A A . 11 THR HG21 1 1 18 10062 1 1 11 THR HG22 H -4.081 9.219 3.336 1.00 . A A . 11 THR HG22 1 1 18 10063 1 1 11 THR HG23 H -3.650 9.895 1.770 1.00 . A A . 11 THR HG23 1 1 18 10064 1 1 11 THR N N -7.062 8.791 0.841 1.00 . A A . 11 THR N 1 1 18 10065 1 1 11 THR O O -4.717 11.293 -0.208 1.00 . A A . 11 THR O 1 1 18 10066 1 1 11 THR OG1 O -5.366 11.575 2.624 1.00 . A A . 11 THR OG1 1 1 18 10067 1 1 12 GLY C C -3.827 8.335 -2.396 1.00 . A A . 12 GLY C 1 1 18 10068 1 1 12 GLY CA C -4.756 9.528 -2.345 1.00 . A A . 12 GLY CA 1 1 18 10069 1 1 12 GLY H H -6.250 8.746 -1.148 1.00 . A A . 12 GLY H 1 1 18 10070 1 1 12 GLY HA2 H -5.378 9.537 -3.229 1.00 . A A . 12 GLY HA2 1 1 18 10071 1 1 12 GLY HA3 H -4.159 10.432 -2.338 1.00 . A A . 12 GLY HA3 1 1 18 10072 1 1 12 GLY N N -5.615 9.473 -1.185 1.00 . A A . 12 GLY N 1 1 18 10073 1 1 12 GLY O O -3.063 8.105 -1.465 1.00 . A A . 12 GLY O 1 1 18 10074 1 1 13 SER C C -1.554 6.863 -3.633 1.00 . A A . 13 SER C 1 1 18 10075 1 1 13 SER CA C -3.014 6.415 -3.644 1.00 . A A . 13 SER CA 1 1 18 10076 1 1 13 SER CB C -3.349 5.698 -4.954 1.00 . A A . 13 SER CB 1 1 18 10077 1 1 13 SER H H -4.539 7.788 -4.187 1.00 . A A . 13 SER H 1 1 18 10078 1 1 13 SER HA H -3.178 5.734 -2.819 1.00 . A A . 13 SER HA 1 1 18 10079 1 1 13 SER HB2 H -2.536 5.043 -5.243 1.00 . A A . 13 SER HB2 1 1 18 10080 1 1 13 SER HB3 H -4.244 5.110 -4.814 1.00 . A A . 13 SER HB3 1 1 18 10081 1 1 13 SER HG H -2.744 6.934 -6.355 1.00 . A A . 13 SER HG 1 1 18 10082 1 1 13 SER N N -3.897 7.563 -3.471 1.00 . A A . 13 SER N 1 1 18 10083 1 1 13 SER O O -0.688 6.220 -3.033 1.00 . A A . 13 SER O 1 1 18 10084 1 1 13 SER OG O -3.583 6.632 -5.998 1.00 . A A . 13 SER OG 1 1 18 10085 1 1 14 LYS C C 0.444 9.170 -3.002 1.00 . A A . 14 LYS C 1 1 18 10086 1 1 14 LYS CA C 0.035 8.555 -4.335 1.00 . A A . 14 LYS CA 1 1 18 10087 1 1 14 LYS CB C 0.110 9.574 -5.468 1.00 . A A . 14 LYS CB 1 1 18 10088 1 1 14 LYS CD C -0.370 9.941 -7.915 1.00 . A A . 14 LYS CD 1 1 18 10089 1 1 14 LYS CE C -0.501 9.261 -9.266 1.00 . A A . 14 LYS CE 1 1 18 10090 1 1 14 LYS CG C -0.064 8.927 -6.832 1.00 . A A . 14 LYS CG 1 1 18 10091 1 1 14 LYS H H -2.044 8.492 -4.693 1.00 . A A . 14 LYS H 1 1 18 10092 1 1 14 LYS HA H 0.711 7.750 -4.550 1.00 . A A . 14 LYS HA 1 1 18 10093 1 1 14 LYS HB2 H -0.669 10.311 -5.322 1.00 . A A . 14 LYS HB2 1 1 18 10094 1 1 14 LYS HB3 H 1.074 10.066 -5.448 1.00 . A A . 14 LYS HB3 1 1 18 10095 1 1 14 LYS HD2 H -1.299 10.440 -7.681 1.00 . A A . 14 LYS HD2 1 1 18 10096 1 1 14 LYS HD3 H 0.432 10.664 -7.962 1.00 . A A . 14 LYS HD3 1 1 18 10097 1 1 14 LYS HE2 H 0.481 8.962 -9.599 1.00 . A A . 14 LYS HE2 1 1 18 10098 1 1 14 LYS HE3 H -1.128 8.383 -9.166 1.00 . A A . 14 LYS HE3 1 1 18 10099 1 1 14 LYS HG2 H 0.851 8.411 -7.085 1.00 . A A . 14 LYS HG2 1 1 18 10100 1 1 14 LYS HG3 H -0.878 8.211 -6.787 1.00 . A A . 14 LYS HG3 1 1 18 10101 1 1 14 LYS HZ1 H -1.173 9.654 -11.197 1.00 . A A . 14 LYS HZ1 1 1 18 10102 1 1 14 LYS HZ2 H -0.511 11.001 -10.421 1.00 . A A . 14 LYS HZ2 1 1 18 10103 1 1 14 LYS HZ3 H -2.055 10.451 -9.994 1.00 . A A . 14 LYS HZ3 1 1 18 10104 1 1 14 LYS N N -1.306 8.001 -4.260 1.00 . A A . 14 LYS N 1 1 18 10105 1 1 14 LYS NZ N -1.101 10.154 -10.288 1.00 . A A . 14 LYS NZ 1 1 18 10106 1 1 14 LYS O O 1.610 9.494 -2.786 1.00 . A A . 14 LYS O 1 1 18 10107 1 1 15 ASP C C 0.136 8.441 0.046 1.00 . A A . 15 ASP C 1 1 18 10108 1 1 15 ASP CA C -0.201 9.698 -0.735 1.00 . A A . 15 ASP CA 1 1 18 10109 1 1 15 ASP CB C -1.368 10.416 -0.058 1.00 . A A . 15 ASP CB 1 1 18 10110 1 1 15 ASP CG C -0.931 11.109 1.218 1.00 . A A . 15 ASP CG 1 1 18 10111 1 1 15 ASP H H -1.422 9.062 -2.302 1.00 . A A . 15 ASP H 1 1 18 10112 1 1 15 ASP HA H 0.667 10.352 -0.741 1.00 . A A . 15 ASP HA 1 1 18 10113 1 1 15 ASP HB2 H -1.760 11.163 -0.733 1.00 . A A . 15 ASP HB2 1 1 18 10114 1 1 15 ASP HB3 H -2.151 9.710 0.182 1.00 . A A . 15 ASP HB3 1 1 18 10115 1 1 15 ASP N N -0.515 9.319 -2.101 1.00 . A A . 15 ASP N 1 1 18 10116 1 1 15 ASP O O 1.127 8.391 0.769 1.00 . A A . 15 ASP O 1 1 18 10117 1 1 15 ASP OD1 O -0.831 10.438 2.263 1.00 . A A . 15 ASP OD1 1 1 18 10118 1 1 15 ASP OD2 O -0.664 12.329 1.178 1.00 . A A . 15 ASP OD2 1 1 18 10119 1 1 16 CYS C C 0.812 5.470 0.143 1.00 . A A . 16 CYS C 1 1 18 10120 1 1 16 CYS CA C -0.516 6.122 0.511 1.00 . A A . 16 CYS CA 1 1 18 10121 1 1 16 CYS CB C -1.661 5.184 0.147 1.00 . A A . 16 CYS CB 1 1 18 10122 1 1 16 CYS H H -1.440 7.519 -0.777 1.00 . A A . 16 CYS H 1 1 18 10123 1 1 16 CYS HA H -0.540 6.292 1.578 1.00 . A A . 16 CYS HA 1 1 18 10124 1 1 16 CYS HB2 H -1.655 5.012 -0.920 1.00 . A A . 16 CYS HB2 1 1 18 10125 1 1 16 CYS HB3 H -1.527 4.240 0.659 1.00 . A A . 16 CYS HB3 1 1 18 10126 1 1 16 CYS N N -0.686 7.411 -0.154 1.00 . A A . 16 CYS N 1 1 18 10127 1 1 16 CYS O O 1.301 4.604 0.872 1.00 . A A . 16 CYS O 1 1 18 10128 1 1 16 CYS SG S -3.311 5.813 0.587 1.00 . A A . 16 CYS SG 1 1 18 10129 1 1 17 TYR C C 3.705 5.573 -0.218 1.00 . A A . 17 TYR C 1 1 18 10130 1 1 17 TYR CA C 2.718 5.431 -1.378 1.00 . A A . 17 TYR CA 1 1 18 10131 1 1 17 TYR CB C 3.229 6.214 -2.594 1.00 . A A . 17 TYR CB 1 1 18 10132 1 1 17 TYR CD1 C 1.816 4.650 -4.004 1.00 . A A . 17 TYR CD1 1 1 18 10133 1 1 17 TYR CD2 C 2.847 6.512 -5.073 1.00 . A A . 17 TYR CD2 1 1 18 10134 1 1 17 TYR CE1 C 1.262 4.257 -5.206 1.00 . A A . 17 TYR CE1 1 1 18 10135 1 1 17 TYR CE2 C 2.299 6.124 -6.281 1.00 . A A . 17 TYR CE2 1 1 18 10136 1 1 17 TYR CG C 2.616 5.784 -3.914 1.00 . A A . 17 TYR CG 1 1 18 10137 1 1 17 TYR CZ C 1.507 4.998 -6.342 1.00 . A A . 17 TYR CZ 1 1 18 10138 1 1 17 TYR H H 0.934 6.541 -1.558 1.00 . A A . 17 TYR H 1 1 18 10139 1 1 17 TYR HA H 2.667 4.398 -1.605 1.00 . A A . 17 TYR HA 1 1 18 10140 1 1 17 TYR HB2 H 3.008 7.262 -2.453 1.00 . A A . 17 TYR HB2 1 1 18 10141 1 1 17 TYR HB3 H 4.302 6.090 -2.682 1.00 . A A . 17 TYR HB3 1 1 18 10142 1 1 17 TYR HD1 H 1.595 4.073 -3.137 1.00 . A A . 17 TYR HD1 1 1 18 10143 1 1 17 TYR HD2 H 3.466 7.398 -5.027 1.00 . A A . 17 TYR HD2 1 1 18 10144 1 1 17 TYR HE1 H 0.640 3.388 -5.258 1.00 . A A . 17 TYR HE1 1 1 18 10145 1 1 17 TYR HE2 H 2.491 6.704 -7.171 1.00 . A A . 17 TYR HE2 1 1 18 10146 1 1 17 TYR HH H 1.592 4.053 -8.016 1.00 . A A . 17 TYR HH 1 1 18 10147 1 1 17 TYR N N 1.379 5.872 -0.995 1.00 . A A . 17 TYR N 1 1 18 10148 1 1 17 TYR O O 4.519 4.681 0.021 1.00 . A A . 17 TYR O 1 1 18 10149 1 1 17 TYR OH O 0.964 4.606 -7.546 1.00 . A A . 17 TYR OH 1 1 18 10150 1 1 18 ALA C C 4.282 5.949 2.803 1.00 . A A . 18 ALA C 1 1 18 10151 1 1 18 ALA CA C 4.521 6.922 1.635 1.00 . A A . 18 ALA CA 1 1 18 10152 1 1 18 ALA CB C 4.441 8.374 2.091 1.00 . A A . 18 ALA CB 1 1 18 10153 1 1 18 ALA H H 2.920 7.347 0.308 1.00 . A A . 18 ALA H 1 1 18 10154 1 1 18 ALA HA H 5.530 6.760 1.269 1.00 . A A . 18 ALA HA 1 1 18 10155 1 1 18 ALA HB1 H 5.221 8.938 1.601 1.00 . A A . 18 ALA HB1 1 1 18 10156 1 1 18 ALA HB2 H 4.577 8.445 3.163 1.00 . A A . 18 ALA HB2 1 1 18 10157 1 1 18 ALA HB3 H 3.483 8.797 1.825 1.00 . A A . 18 ALA HB3 1 1 18 10158 1 1 18 ALA N N 3.608 6.674 0.524 1.00 . A A . 18 ALA N 1 1 18 10159 1 1 18 ALA O O 5.211 5.244 3.199 1.00 . A A . 18 ALA O 1 1 18 10160 1 1 19 PRO C C 3.063 3.492 4.076 1.00 . A A . 19 PRO C 1 1 18 10161 1 1 19 PRO CA C 2.732 4.933 4.452 1.00 . A A . 19 PRO CA 1 1 18 10162 1 1 19 PRO CB C 1.224 5.096 4.645 1.00 . A A . 19 PRO CB 1 1 18 10163 1 1 19 PRO CD C 1.899 6.762 3.086 1.00 . A A . 19 PRO CD 1 1 18 10164 1 1 19 PRO CG C 0.942 6.487 4.211 1.00 . A A . 19 PRO CG 1 1 18 10165 1 1 19 PRO HA H 3.241 5.185 5.371 1.00 . A A . 19 PRO HA 1 1 18 10166 1 1 19 PRO HB2 H 0.673 4.379 4.050 1.00 . A A . 19 PRO HB2 1 1 18 10167 1 1 19 PRO HB3 H 0.990 4.972 5.677 1.00 . A A . 19 PRO HB3 1 1 18 10168 1 1 19 PRO HD2 H 1.470 6.521 2.167 1.00 . A A . 19 PRO HD2 1 1 18 10169 1 1 19 PRO HD3 H 2.178 7.795 3.111 1.00 . A A . 19 PRO HD3 1 1 18 10170 1 1 19 PRO HG2 H -0.078 6.565 3.865 1.00 . A A . 19 PRO HG2 1 1 18 10171 1 1 19 PRO HG3 H 1.117 7.171 5.028 1.00 . A A . 19 PRO HG3 1 1 18 10172 1 1 19 PRO N N 3.054 5.891 3.385 1.00 . A A . 19 PRO N 1 1 18 10173 1 1 19 PRO O O 3.668 2.770 4.865 1.00 . A A . 19 PRO O 1 1 18 10174 1 1 20 CYS C C 4.438 1.450 2.311 1.00 . A A . 20 CYS C 1 1 18 10175 1 1 20 CYS CA C 2.941 1.716 2.416 1.00 . A A . 20 CYS CA 1 1 18 10176 1 1 20 CYS CB C 2.253 1.444 1.078 1.00 . A A . 20 CYS CB 1 1 18 10177 1 1 20 CYS H H 2.212 3.705 2.269 1.00 . A A . 20 CYS H 1 1 18 10178 1 1 20 CYS HA H 2.535 1.038 3.159 1.00 . A A . 20 CYS HA 1 1 18 10179 1 1 20 CYS HB2 H 2.491 2.241 0.390 1.00 . A A . 20 CYS HB2 1 1 18 10180 1 1 20 CYS HB3 H 2.605 0.504 0.671 1.00 . A A . 20 CYS HB3 1 1 18 10181 1 1 20 CYS N N 2.684 3.079 2.869 1.00 . A A . 20 CYS N 1 1 18 10182 1 1 20 CYS O O 4.921 0.400 2.749 1.00 . A A . 20 CYS O 1 1 18 10183 1 1 20 CYS SG S 0.440 1.340 1.197 1.00 . A A . 20 CYS SG 1 1 18 10184 1 1 21 ARG C C 7.227 2.225 3.061 1.00 . A A . 21 ARG C 1 1 18 10185 1 1 21 ARG CA C 6.622 2.298 1.666 1.00 . A A . 21 ARG CA 1 1 18 10186 1 1 21 ARG CB C 7.207 3.491 0.905 1.00 . A A . 21 ARG CB 1 1 18 10187 1 1 21 ARG CD C 9.246 4.635 -0.026 1.00 . A A . 21 ARG CD 1 1 18 10188 1 1 21 ARG CG C 8.715 3.426 0.727 1.00 . A A . 21 ARG CG 1 1 18 10189 1 1 21 ARG CZ C 11.294 4.833 -1.383 1.00 . A A . 21 ARG CZ 1 1 18 10190 1 1 21 ARG H H 4.734 3.233 1.434 1.00 . A A . 21 ARG H 1 1 18 10191 1 1 21 ARG HA H 6.863 1.388 1.131 1.00 . A A . 21 ARG HA 1 1 18 10192 1 1 21 ARG HB2 H 6.752 3.527 -0.060 1.00 . A A . 21 ARG HB2 1 1 18 10193 1 1 21 ARG HB3 H 6.964 4.400 1.440 1.00 . A A . 21 ARG HB3 1 1 18 10194 1 1 21 ARG HD2 H 8.726 4.690 -0.967 1.00 . A A . 21 ARG HD2 1 1 18 10195 1 1 21 ARG HD3 H 9.027 5.524 0.551 1.00 . A A . 21 ARG HD3 1 1 18 10196 1 1 21 ARG HE H 11.237 4.263 0.531 1.00 . A A . 21 ARG HE 1 1 18 10197 1 1 21 ARG HG2 H 9.189 3.393 1.696 1.00 . A A . 21 ARG HG2 1 1 18 10198 1 1 21 ARG HG3 H 8.963 2.534 0.173 1.00 . A A . 21 ARG HG3 1 1 18 10199 1 1 21 ARG HH11 H 9.610 5.390 -2.382 1.00 . A A . 21 ARG HH11 1 1 18 10200 1 1 21 ARG HH12 H 11.068 5.467 -3.286 1.00 . A A . 21 ARG HH12 1 1 18 10201 1 1 21 ARG HH21 H 13.145 4.391 -0.700 1.00 . A A . 21 ARG HH21 1 1 18 10202 1 1 21 ARG HH22 H 13.068 4.913 -2.350 1.00 . A A . 21 ARG HH22 1 1 18 10203 1 1 21 ARG N N 5.172 2.408 1.754 1.00 . A A . 21 ARG N 1 1 18 10204 1 1 21 ARG NE N 10.687 4.551 -0.233 1.00 . A A . 21 ARG NE 1 1 18 10205 1 1 21 ARG NH1 N 10.594 5.263 -2.426 1.00 . A A . 21 ARG NH1 1 1 18 10206 1 1 21 ARG NH2 N 12.606 4.702 -1.486 1.00 . A A . 21 ARG NH2 1 1 18 10207 1 1 21 ARG O O 8.114 1.417 3.324 1.00 . A A . 21 ARG O 1 1 18 10208 1 1 22 LYS C C 6.904 1.823 6.061 1.00 . A A . 22 LYS C 1 1 18 10209 1 1 22 LYS CA C 7.209 3.123 5.324 1.00 . A A . 22 LYS CA 1 1 18 10210 1 1 22 LYS CB C 6.558 4.308 6.044 1.00 . A A . 22 LYS CB 1 1 18 10211 1 1 22 LYS CD C 6.510 5.848 8.023 1.00 . A A . 22 LYS CD 1 1 18 10212 1 1 22 LYS CE C 7.235 6.296 9.284 1.00 . A A . 22 LYS CE 1 1 18 10213 1 1 22 LYS CG C 7.166 4.626 7.399 1.00 . A A . 22 LYS CG 1 1 18 10214 1 1 22 LYS H H 6.001 3.677 3.684 1.00 . A A . 22 LYS H 1 1 18 10215 1 1 22 LYS HA H 8.281 3.271 5.299 1.00 . A A . 22 LYS HA 1 1 18 10216 1 1 22 LYS HB2 H 6.660 5.184 5.416 1.00 . A A . 22 LYS HB2 1 1 18 10217 1 1 22 LYS HB3 H 5.503 4.102 6.181 1.00 . A A . 22 LYS HB3 1 1 18 10218 1 1 22 LYS HD2 H 6.538 6.663 7.311 1.00 . A A . 22 LYS HD2 1 1 18 10219 1 1 22 LYS HD3 H 5.490 5.623 8.261 1.00 . A A . 22 LYS HD3 1 1 18 10220 1 1 22 LYS HE2 H 6.669 7.095 9.739 1.00 . A A . 22 LYS HE2 1 1 18 10221 1 1 22 LYS HE3 H 7.295 5.467 9.973 1.00 . A A . 22 LYS HE3 1 1 18 10222 1 1 22 LYS HG2 H 7.027 3.778 8.054 1.00 . A A . 22 LYS HG2 1 1 18 10223 1 1 22 LYS HG3 H 8.221 4.813 7.265 1.00 . A A . 22 LYS HG3 1 1 18 10224 1 1 22 LYS HZ1 H 9.014 7.223 9.855 1.00 . A A . 22 LYS HZ1 1 1 18 10225 1 1 22 LYS HZ2 H 8.598 7.501 8.240 1.00 . A A . 22 LYS HZ2 1 1 18 10226 1 1 22 LYS HZ3 H 9.224 6.000 8.710 1.00 . A A . 22 LYS HZ3 1 1 18 10227 1 1 22 LYS N N 6.722 3.062 3.954 1.00 . A A . 22 LYS N 1 1 18 10228 1 1 22 LYS NZ N 8.612 6.788 9.000 1.00 . A A . 22 LYS NZ 1 1 18 10229 1 1 22 LYS O O 7.718 1.329 6.839 1.00 . A A . 22 LYS O 1 1 18 10230 1 1 23 GLN C C 5.958 -1.185 5.942 1.00 . A A . 23 GLN C 1 1 18 10231 1 1 23 GLN CA C 5.263 0.070 6.462 1.00 . A A . 23 GLN CA 1 1 18 10232 1 1 23 GLN CB C 3.747 -0.062 6.294 1.00 . A A . 23 GLN CB 1 1 18 10233 1 1 23 GLN CD C 3.372 -1.351 8.449 1.00 . A A . 23 GLN CD 1 1 18 10234 1 1 23 GLN CG C 3.149 -1.301 6.949 1.00 . A A . 23 GLN CG 1 1 18 10235 1 1 23 GLN H H 5.130 1.709 5.144 1.00 . A A . 23 GLN H 1 1 18 10236 1 1 23 GLN HA H 5.469 0.170 7.491 1.00 . A A . 23 GLN HA 1 1 18 10237 1 1 23 GLN HB2 H 3.286 0.801 6.712 1.00 . A A . 23 GLN HB2 1 1 18 10238 1 1 23 GLN HB3 H 3.518 -0.099 5.238 1.00 . A A . 23 GLN HB3 1 1 18 10239 1 1 23 GLN HE21 H 3.367 -3.349 8.421 1.00 . A A . 23 GLN HE21 1 1 18 10240 1 1 23 GLN HE22 H 3.597 -2.607 9.964 1.00 . A A . 23 GLN HE22 1 1 18 10241 1 1 23 GLN HG2 H 2.084 -1.298 6.768 1.00 . A A . 23 GLN HG2 1 1 18 10242 1 1 23 GLN HG3 H 3.579 -2.184 6.500 1.00 . A A . 23 GLN HG3 1 1 18 10243 1 1 23 GLN N N 5.732 1.271 5.789 1.00 . A A . 23 GLN N 1 1 18 10244 1 1 23 GLN NE2 N 3.453 -2.555 8.996 1.00 . A A . 23 GLN NE2 1 1 18 10245 1 1 23 GLN O O 6.525 -1.949 6.721 1.00 . A A . 23 GLN O 1 1 18 10246 1 1 23 GLN OE1 O 3.479 -0.314 9.111 1.00 . A A . 23 GLN OE1 1 1 18 10247 1 1 24 THR C C 7.687 -2.494 3.271 1.00 . A A . 24 THR C 1 1 18 10248 1 1 24 THR CA C 6.396 -2.658 4.070 1.00 . A A . 24 THR CA 1 1 18 10249 1 1 24 THR CB C 5.322 -3.299 3.166 1.00 . A A . 24 THR CB 1 1 18 10250 1 1 24 THR CG2 C 4.112 -3.734 3.978 1.00 . A A . 24 THR CG2 1 1 18 10251 1 1 24 THR H H 5.460 -0.757 4.048 1.00 . A A . 24 THR H 1 1 18 10252 1 1 24 THR HA H 6.606 -3.351 4.877 1.00 . A A . 24 THR HA 1 1 18 10253 1 1 24 THR HB H 5.733 -4.180 2.712 1.00 . A A . 24 THR HB 1 1 18 10254 1 1 24 THR HG1 H 4.339 -2.808 1.510 1.00 . A A . 24 THR HG1 1 1 18 10255 1 1 24 THR HG21 H 4.420 -4.422 4.753 1.00 . A A . 24 THR HG21 1 1 18 10256 1 1 24 THR HG22 H 3.401 -4.222 3.328 1.00 . A A . 24 THR HG22 1 1 18 10257 1 1 24 THR HG23 H 3.650 -2.868 4.427 1.00 . A A . 24 THR HG23 1 1 18 10258 1 1 24 THR N N 5.922 -1.399 4.635 1.00 . A A . 24 THR N 1 1 18 10259 1 1 24 THR O O 8.442 -3.452 3.095 1.00 . A A . 24 THR O 1 1 18 10260 1 1 24 THR OG1 O 4.910 -2.372 2.152 1.00 . A A . 24 THR OG1 1 1 18 10261 1 1 25 GLY C C 8.667 -0.717 0.528 1.00 . A A . 25 GLY C 1 1 18 10262 1 1 25 GLY CA C 9.092 -1.067 1.937 1.00 . A A . 25 GLY CA 1 1 18 10263 1 1 25 GLY H H 7.340 -0.539 2.968 1.00 . A A . 25 GLY H 1 1 18 10264 1 1 25 GLY HA2 H 9.670 -0.245 2.333 1.00 . A A . 25 GLY HA2 1 1 18 10265 1 1 25 GLY HA3 H 9.727 -1.943 1.899 1.00 . A A . 25 GLY HA3 1 1 18 10266 1 1 25 GLY N N 7.953 -1.285 2.804 1.00 . A A . 25 GLY N 1 1 18 10267 1 1 25 GLY O O 9.305 0.096 -0.138 1.00 . A A . 25 GLY O 1 1 18 10268 1 1 26 CYS C C 5.919 -0.050 -1.183 1.00 . A A . 26 CYS C 1 1 18 10269 1 1 26 CYS CA C 7.051 -1.069 -1.249 1.00 . A A . 26 CYS CA 1 1 18 10270 1 1 26 CYS CB C 6.556 -2.371 -1.877 1.00 . A A . 26 CYS CB 1 1 18 10271 1 1 26 CYS H H 7.092 -1.946 0.660 1.00 . A A . 26 CYS H 1 1 18 10272 1 1 26 CYS HA H 7.857 -0.695 -1.863 1.00 . A A . 26 CYS HA 1 1 18 10273 1 1 26 CYS HB2 H 5.725 -2.735 -1.319 1.00 . A A . 26 CYS HB2 1 1 18 10274 1 1 26 CYS HB3 H 6.227 -2.162 -2.887 1.00 . A A . 26 CYS HB3 1 1 18 10275 1 1 26 CYS N N 7.578 -1.323 0.080 1.00 . A A . 26 CYS N 1 1 18 10276 1 1 26 CYS O O 4.941 -0.245 -0.462 1.00 . A A . 26 CYS O 1 1 18 10277 1 1 26 CYS SG S 7.829 -3.672 -1.987 1.00 . A A . 26 CYS SG 1 1 18 10278 1 1 27 PRO C C 3.769 1.861 -2.593 1.00 . A A . 27 PRO C 1 1 18 10279 1 1 27 PRO CA C 5.086 2.160 -1.879 1.00 . A A . 27 PRO CA 1 1 18 10280 1 1 27 PRO CB C 5.829 3.292 -2.593 1.00 . A A . 27 PRO CB 1 1 18 10281 1 1 27 PRO CD C 7.147 1.319 -2.874 1.00 . A A . 27 PRO CD 1 1 18 10282 1 1 27 PRO CG C 6.737 2.601 -3.548 1.00 . A A . 27 PRO CG 1 1 18 10283 1 1 27 PRO HA H 4.879 2.454 -0.862 1.00 . A A . 27 PRO HA 1 1 18 10284 1 1 27 PRO HB2 H 5.133 3.940 -3.111 1.00 . A A . 27 PRO HB2 1 1 18 10285 1 1 27 PRO HB3 H 6.387 3.871 -1.883 1.00 . A A . 27 PRO HB3 1 1 18 10286 1 1 27 PRO HD2 H 7.232 0.523 -3.599 1.00 . A A . 27 PRO HD2 1 1 18 10287 1 1 27 PRO HD3 H 8.081 1.453 -2.348 1.00 . A A . 27 PRO HD3 1 1 18 10288 1 1 27 PRO HG2 H 6.211 2.390 -4.468 1.00 . A A . 27 PRO HG2 1 1 18 10289 1 1 27 PRO HG3 H 7.603 3.216 -3.742 1.00 . A A . 27 PRO HG3 1 1 18 10290 1 1 27 PRO N N 6.046 1.054 -1.930 1.00 . A A . 27 PRO N 1 1 18 10291 1 1 27 PRO O O 2.743 2.449 -2.266 1.00 . A A . 27 PRO O 1 1 18 10292 1 1 28 ASN C C 1.402 0.321 -3.629 1.00 . A A . 28 ASN C 1 1 18 10293 1 1 28 ASN CA C 2.657 0.669 -4.420 1.00 . A A . 28 ASN CA 1 1 18 10294 1 1 28 ASN CB C 2.980 -0.459 -5.398 1.00 . A A . 28 ASN CB 1 1 18 10295 1 1 28 ASN CG C 4.215 -0.163 -6.229 1.00 . A A . 28 ASN CG 1 1 18 10296 1 1 28 ASN H H 4.657 0.488 -3.744 1.00 . A A . 28 ASN H 1 1 18 10297 1 1 28 ASN HA H 2.476 1.571 -4.992 1.00 . A A . 28 ASN HA 1 1 18 10298 1 1 28 ASN HB2 H 3.151 -1.374 -4.850 1.00 . A A . 28 ASN HB2 1 1 18 10299 1 1 28 ASN HB3 H 2.151 -0.597 -6.074 1.00 . A A . 28 ASN HB3 1 1 18 10300 1 1 28 ASN HD21 H 3.125 0.848 -7.561 1.00 . A A . 28 ASN HD21 1 1 18 10301 1 1 28 ASN HD22 H 4.820 0.747 -7.878 1.00 . A A . 28 ASN HD22 1 1 18 10302 1 1 28 ASN N N 3.804 0.934 -3.547 1.00 . A A . 28 ASN N 1 1 18 10303 1 1 28 ASN ND2 N 4.033 0.547 -7.330 1.00 . A A . 28 ASN ND2 1 1 18 10304 1 1 28 ASN O O 1.388 -0.633 -2.843 1.00 . A A . 28 ASN O 1 1 18 10305 1 1 28 ASN OD1 O 5.326 -0.549 -5.868 1.00 . A A . 28 ASN OD1 1 1 18 10306 1 1 29 ALA C C -2.105 1.381 -3.941 1.00 . A A . 29 ALA C 1 1 18 10307 1 1 29 ALA CA C -0.902 0.920 -3.124 1.00 . A A . 29 ALA CA 1 1 18 10308 1 1 29 ALA CB C -0.851 1.690 -1.815 1.00 . A A . 29 ALA CB 1 1 18 10309 1 1 29 ALA H H 0.408 1.818 -4.495 1.00 . A A . 29 ALA H 1 1 18 10310 1 1 29 ALA HA H -1.031 -0.128 -2.896 1.00 . A A . 29 ALA HA 1 1 18 10311 1 1 29 ALA HB1 H -1.500 1.227 -1.089 1.00 . A A . 29 ALA HB1 1 1 18 10312 1 1 29 ALA HB2 H -1.161 2.717 -1.971 1.00 . A A . 29 ALA HB2 1 1 18 10313 1 1 29 ALA HB3 H 0.160 1.685 -1.454 1.00 . A A . 29 ALA HB3 1 1 18 10314 1 1 29 ALA N N 0.343 1.094 -3.854 1.00 . A A . 29 ALA N 1 1 18 10315 1 1 29 ALA O O -1.960 2.001 -4.998 1.00 . A A . 29 ALA O 1 1 18 10316 1 1 30 LYS C C -5.572 1.657 -2.890 1.00 . A A . 30 LYS C 1 1 18 10317 1 1 30 LYS CA C -4.543 1.520 -4.007 1.00 . A A . 30 LYS CA 1 1 18 10318 1 1 30 LYS CB C -5.064 0.530 -5.056 1.00 . A A . 30 LYS CB 1 1 18 10319 1 1 30 LYS CD C -7.066 -0.196 -6.417 1.00 . A A . 30 LYS CD 1 1 18 10320 1 1 30 LYS CE C -6.260 -0.620 -7.631 1.00 . A A . 30 LYS CE 1 1 18 10321 1 1 30 LYS CG C -6.400 0.943 -5.662 1.00 . A A . 30 LYS CG 1 1 18 10322 1 1 30 LYS H H -3.316 0.557 -2.588 1.00 . A A . 30 LYS H 1 1 18 10323 1 1 30 LYS HA H -4.389 2.488 -4.472 1.00 . A A . 30 LYS HA 1 1 18 10324 1 1 30 LYS HB2 H -4.338 0.456 -5.854 1.00 . A A . 30 LYS HB2 1 1 18 10325 1 1 30 LYS HB3 H -5.176 -0.442 -4.592 1.00 . A A . 30 LYS HB3 1 1 18 10326 1 1 30 LYS HD2 H -7.175 -1.044 -5.756 1.00 . A A . 30 LYS HD2 1 1 18 10327 1 1 30 LYS HD3 H -8.043 0.130 -6.744 1.00 . A A . 30 LYS HD3 1 1 18 10328 1 1 30 LYS HE2 H -6.129 0.225 -8.291 1.00 . A A . 30 LYS HE2 1 1 18 10329 1 1 30 LYS HE3 H -5.308 -0.969 -7.294 1.00 . A A . 30 LYS HE3 1 1 18 10330 1 1 30 LYS HG2 H -7.078 1.258 -4.886 1.00 . A A . 30 LYS HG2 1 1 18 10331 1 1 30 LYS HG3 H -6.233 1.765 -6.344 1.00 . A A . 30 LYS HG3 1 1 18 10332 1 1 30 LYS HZ1 H -7.866 -1.414 -8.703 1.00 . A A . 30 LYS HZ1 1 1 18 10333 1 1 30 LYS HZ2 H -7.041 -2.552 -7.757 1.00 . A A . 30 LYS HZ2 1 1 18 10334 1 1 30 LYS HZ3 H -6.354 -1.988 -9.195 1.00 . A A . 30 LYS HZ3 1 1 18 10335 1 1 30 LYS N N -3.287 1.063 -3.434 1.00 . A A . 30 LYS N 1 1 18 10336 1 1 30 LYS NZ N -6.927 -1.718 -8.370 1.00 . A A . 30 LYS NZ 1 1 18 10337 1 1 30 LYS O O -5.653 0.801 -2.009 1.00 . A A . 30 LYS O 1 1 18 10338 1 1 31 CYS C C -8.650 2.219 -2.251 1.00 . A A . 31 CYS C 1 1 18 10339 1 1 31 CYS CA C -7.347 2.910 -1.872 1.00 . A A . 31 CYS CA 1 1 18 10340 1 1 31 CYS CB C -7.585 4.401 -1.597 1.00 . A A . 31 CYS CB 1 1 18 10341 1 1 31 CYS H H -6.271 3.383 -3.636 1.00 . A A . 31 CYS H 1 1 18 10342 1 1 31 CYS HA H -6.973 2.462 -0.971 1.00 . A A . 31 CYS HA 1 1 18 10343 1 1 31 CYS HB2 H -7.946 4.516 -0.589 1.00 . A A . 31 CYS HB2 1 1 18 10344 1 1 31 CYS HB3 H -6.647 4.926 -1.688 1.00 . A A . 31 CYS HB3 1 1 18 10345 1 1 31 CYS N N -6.358 2.717 -2.913 1.00 . A A . 31 CYS N 1 1 18 10346 1 1 31 CYS O O -9.089 2.274 -3.403 1.00 . A A . 31 CYS O 1 1 18 10347 1 1 31 CYS SG S -8.759 5.223 -2.724 1.00 . A A . 31 CYS SG 1 1 18 10348 1 1 32 ILE C C -11.519 1.472 -0.506 1.00 . A A . 32 ILE C 1 1 18 10349 1 1 32 ILE CA C -10.511 0.872 -1.469 1.00 . A A . 32 ILE CA 1 1 18 10350 1 1 32 ILE CB C -10.386 -0.652 -1.233 1.00 . A A . 32 ILE CB 1 1 18 10351 1 1 32 ILE CD1 C -9.528 -2.404 0.424 1.00 . A A . 32 ILE CD1 1 1 18 10352 1 1 32 ILE CG1 C -9.778 -0.938 0.148 1.00 . A A . 32 ILE CG1 1 1 18 10353 1 1 32 ILE CG2 C -9.552 -1.287 -2.341 1.00 . A A . 32 ILE CG2 1 1 18 10354 1 1 32 ILE H H -8.822 1.518 -0.396 1.00 . A A . 32 ILE H 1 1 18 10355 1 1 32 ILE HA H -10.870 1.036 -2.482 1.00 . A A . 32 ILE HA 1 1 18 10356 1 1 32 ILE HB H -11.375 -1.088 -1.280 1.00 . A A . 32 ILE HB 1 1 18 10357 1 1 32 ILE HD11 H -8.701 -2.750 -0.178 1.00 . A A . 32 ILE HD11 1 1 18 10358 1 1 32 ILE HD12 H -10.413 -2.977 0.185 1.00 . A A . 32 ILE HD12 1 1 18 10359 1 1 32 ILE HD13 H -9.289 -2.535 1.469 1.00 . A A . 32 ILE HD13 1 1 18 10360 1 1 32 ILE HG12 H -8.822 -0.457 0.218 1.00 . A A . 32 ILE HG12 1 1 18 10361 1 1 32 ILE HG13 H -10.432 -0.563 0.918 1.00 . A A . 32 ILE HG13 1 1 18 10362 1 1 32 ILE HG21 H -9.958 -1.012 -3.305 1.00 . A A . 32 ILE HG21 1 1 18 10363 1 1 32 ILE HG22 H -9.574 -2.362 -2.246 1.00 . A A . 32 ILE HG22 1 1 18 10364 1 1 32 ILE HG23 H -8.530 -0.940 -2.273 1.00 . A A . 32 ILE HG23 1 1 18 10365 1 1 32 ILE N N -9.238 1.539 -1.286 1.00 . A A . 32 ILE N 1 1 18 10366 1 1 32 ILE O O -11.128 2.085 0.492 1.00 . A A . 32 ILE O 1 1 18 10367 1 1 33 ASN C C -13.955 1.282 1.372 1.00 . A A . 33 ASN C 1 1 18 10368 1 1 33 ASN CA C -13.868 1.916 -0.011 1.00 . A A . 33 ASN CA 1 1 18 10369 1 1 33 ASN CB C -15.214 1.798 -0.730 1.00 . A A . 33 ASN CB 1 1 18 10370 1 1 33 ASN CG C -15.245 2.555 -2.045 1.00 . A A . 33 ASN CG 1 1 18 10371 1 1 33 ASN H H -13.042 0.811 -1.626 1.00 . A A . 33 ASN H 1 1 18 10372 1 1 33 ASN HA H -13.635 2.969 0.111 1.00 . A A . 33 ASN HA 1 1 18 10373 1 1 33 ASN HB2 H -15.411 0.756 -0.936 1.00 . A A . 33 ASN HB2 1 1 18 10374 1 1 33 ASN HB3 H -15.999 2.187 -0.093 1.00 . A A . 33 ASN HB3 1 1 18 10375 1 1 33 ASN HD21 H -15.861 4.219 -1.129 1.00 . A A . 33 ASN HD21 1 1 18 10376 1 1 33 ASN HD22 H -15.645 4.323 -2.839 1.00 . A A . 33 ASN HD22 1 1 18 10377 1 1 33 ASN N N -12.802 1.308 -0.807 1.00 . A A . 33 ASN N 1 1 18 10378 1 1 33 ASN ND2 N -15.621 3.823 -1.997 1.00 . A A . 33 ASN ND2 1 1 18 10379 1 1 33 ASN O O -14.875 0.515 1.660 1.00 . A A . 33 ASN O 1 1 18 10380 1 1 33 ASN OD1 O -14.931 2.004 -3.101 1.00 . A A . 33 ASN OD1 1 1 18 10381 1 1 34 LYS C C -11.485 1.513 4.115 1.00 . A A . 34 LYS C 1 1 18 10382 1 1 34 LYS CA C -12.847 1.108 3.560 1.00 . A A . 34 LYS CA 1 1 18 10383 1 1 34 LYS CB C -12.974 -0.422 3.578 1.00 . A A . 34 LYS CB 1 1 18 10384 1 1 34 LYS CD C -13.930 -0.529 5.906 1.00 . A A . 34 LYS CD 1 1 18 10385 1 1 34 LYS CE C -13.844 -1.196 7.271 1.00 . A A . 34 LYS CE 1 1 18 10386 1 1 34 LYS CG C -12.853 -1.043 4.962 1.00 . A A . 34 LYS CG 1 1 18 10387 1 1 34 LYS H H -12.311 2.274 1.895 1.00 . A A . 34 LYS H 1 1 18 10388 1 1 34 LYS HA H -13.623 1.546 4.166 1.00 . A A . 34 LYS HA 1 1 18 10389 1 1 34 LYS HB2 H -13.932 -0.710 3.185 1.00 . A A . 34 LYS HB2 1 1 18 10390 1 1 34 LYS HB3 H -12.201 -0.846 2.952 1.00 . A A . 34 LYS HB3 1 1 18 10391 1 1 34 LYS HD2 H -13.808 0.534 6.040 1.00 . A A . 34 LYS HD2 1 1 18 10392 1 1 34 LYS HD3 H -14.903 -0.733 5.480 1.00 . A A . 34 LYS HD3 1 1 18 10393 1 1 34 LYS HE2 H -14.627 -0.797 7.898 1.00 . A A . 34 LYS HE2 1 1 18 10394 1 1 34 LYS HE3 H -13.993 -2.260 7.149 1.00 . A A . 34 LYS HE3 1 1 18 10395 1 1 34 LYS HG2 H -12.956 -2.115 4.866 1.00 . A A . 34 LYS HG2 1 1 18 10396 1 1 34 LYS HG3 H -11.881 -0.813 5.372 1.00 . A A . 34 LYS HG3 1 1 18 10397 1 1 34 LYS HZ1 H -11.781 -1.489 7.448 1.00 . A A . 34 LYS HZ1 1 1 18 10398 1 1 34 LYS HZ2 H -12.576 -1.293 8.924 1.00 . A A . 34 LYS HZ2 1 1 18 10399 1 1 34 LYS HZ3 H -12.294 0.050 7.937 1.00 . A A . 34 LYS HZ3 1 1 18 10400 1 1 34 LYS N N -12.986 1.631 2.213 1.00 . A A . 34 LYS N 1 1 18 10401 1 1 34 LYS NZ N -12.533 -0.965 7.938 1.00 . A A . 34 LYS NZ 1 1 18 10402 1 1 34 LYS O O -11.367 1.952 5.260 1.00 . A A . 34 LYS O 1 1 18 10403 1 1 35 SER C C -8.179 1.802 2.500 1.00 . A A . 35 SER C 1 1 18 10404 1 1 35 SER CA C -9.085 1.608 3.710 1.00 . A A . 35 SER CA 1 1 18 10405 1 1 35 SER CB C -8.605 0.419 4.547 1.00 . A A . 35 SER CB 1 1 18 10406 1 1 35 SER H H -10.613 1.028 2.376 1.00 . A A . 35 SER H 1 1 18 10407 1 1 35 SER HA H -9.053 2.505 4.316 1.00 . A A . 35 SER HA 1 1 18 10408 1 1 35 SER HB2 H -7.546 0.512 4.749 1.00 . A A . 35 SER HB2 1 1 18 10409 1 1 35 SER HB3 H -9.145 0.404 5.482 1.00 . A A . 35 SER HB3 1 1 18 10410 1 1 35 SER HG H -8.364 -1.513 4.316 1.00 . A A . 35 SER HG 1 1 18 10411 1 1 35 SER N N -10.458 1.378 3.283 1.00 . A A . 35 SER N 1 1 18 10412 1 1 35 SER O O -8.536 1.420 1.392 1.00 . A A . 35 SER O 1 1 18 10413 1 1 35 SER OG O -8.838 -0.807 3.871 1.00 . A A . 35 SER OG 1 1 18 10414 1 1 36 CYS C C -5.126 1.257 1.726 1.00 . A A . 36 CYS C 1 1 18 10415 1 1 36 CYS CA C -6.043 2.467 1.622 1.00 . A A . 36 CYS CA 1 1 18 10416 1 1 36 CYS CB C -5.242 3.761 1.695 1.00 . A A . 36 CYS CB 1 1 18 10417 1 1 36 CYS H H -6.763 2.696 3.598 1.00 . A A . 36 CYS H 1 1 18 10418 1 1 36 CYS HA H -6.567 2.433 0.688 1.00 . A A . 36 CYS HA 1 1 18 10419 1 1 36 CYS HB2 H -5.883 4.546 2.030 1.00 . A A . 36 CYS HB2 1 1 18 10420 1 1 36 CYS HB3 H -4.433 3.645 2.388 1.00 . A A . 36 CYS HB3 1 1 18 10421 1 1 36 CYS N N -7.018 2.397 2.693 1.00 . A A . 36 CYS N 1 1 18 10422 1 1 36 CYS O O -4.347 1.146 2.673 1.00 . A A . 36 CYS O 1 1 18 10423 1 1 36 CYS SG S -4.537 4.276 0.098 1.00 . A A . 36 CYS SG 1 1 18 10424 1 1 37 LYS C C -3.342 -0.972 -0.050 1.00 . A A . 37 LYS C 1 1 18 10425 1 1 37 LYS CA C -4.557 -0.936 0.864 1.00 . A A . 37 LYS CA 1 1 18 10426 1 1 37 LYS CB C -5.524 -2.063 0.491 1.00 . A A . 37 LYS CB 1 1 18 10427 1 1 37 LYS CD C -5.892 -4.528 0.143 1.00 . A A . 37 LYS CD 1 1 18 10428 1 1 37 LYS CE C -6.078 -4.426 -1.363 1.00 . A A . 37 LYS CE 1 1 18 10429 1 1 37 LYS CG C -4.943 -3.460 0.665 1.00 . A A . 37 LYS CG 1 1 18 10430 1 1 37 LYS H H -5.895 0.480 0.048 1.00 . A A . 37 LYS H 1 1 18 10431 1 1 37 LYS HA H -4.237 -1.094 1.889 1.00 . A A . 37 LYS HA 1 1 18 10432 1 1 37 LYS HB2 H -6.401 -1.983 1.119 1.00 . A A . 37 LYS HB2 1 1 18 10433 1 1 37 LYS HB3 H -5.818 -1.923 -0.536 1.00 . A A . 37 LYS HB3 1 1 18 10434 1 1 37 LYS HD2 H -5.483 -5.500 0.376 1.00 . A A . 37 LYS HD2 1 1 18 10435 1 1 37 LYS HD3 H -6.854 -4.418 0.626 1.00 . A A . 37 LYS HD3 1 1 18 10436 1 1 37 LYS HE2 H -6.787 -5.183 -1.666 1.00 . A A . 37 LYS HE2 1 1 18 10437 1 1 37 LYS HE3 H -6.470 -3.458 -1.623 1.00 . A A . 37 LYS HE3 1 1 18 10438 1 1 37 LYS HG2 H -4.011 -3.534 0.141 1.00 . A A . 37 LYS HG2 1 1 18 10439 1 1 37 LYS HG3 H -4.775 -3.634 1.718 1.00 . A A . 37 LYS HG3 1 1 18 10440 1 1 37 LYS HZ1 H -4.161 -3.850 -1.964 1.00 . A A . 37 LYS HZ1 1 1 18 10441 1 1 37 LYS HZ2 H -4.997 -4.758 -3.114 1.00 . A A . 37 LYS HZ2 1 1 18 10442 1 1 37 LYS HZ3 H -4.334 -5.523 -1.760 1.00 . A A . 37 LYS HZ3 1 1 18 10443 1 1 37 LYS N N -5.241 0.343 0.775 1.00 . A A . 37 LYS N 1 1 18 10444 1 1 37 LYS NZ N -4.804 -4.655 -2.097 1.00 . A A . 37 LYS NZ 1 1 18 10445 1 1 37 LYS O O -3.415 -0.593 -1.220 1.00 . A A . 37 LYS O 1 1 18 10446 1 1 38 CYS C C -1.093 -2.855 -1.135 1.00 . A A . 38 CYS C 1 1 18 10447 1 1 38 CYS CA C -1.013 -1.585 -0.289 1.00 . A A . 38 CYS CA 1 1 18 10448 1 1 38 CYS CB C 0.190 -1.654 0.657 1.00 . A A . 38 CYS CB 1 1 18 10449 1 1 38 CYS H H -2.253 -1.766 1.417 1.00 . A A . 38 CYS H 1 1 18 10450 1 1 38 CYS HA H -0.903 -0.745 -0.932 1.00 . A A . 38 CYS HA 1 1 18 10451 1 1 38 CYS HB2 H 0.262 -2.646 1.085 1.00 . A A . 38 CYS HB2 1 1 18 10452 1 1 38 CYS HB3 H 1.089 -1.443 0.097 1.00 . A A . 38 CYS HB3 1 1 18 10453 1 1 38 CYS N N -2.234 -1.448 0.483 1.00 . A A . 38 CYS N 1 1 18 10454 1 1 38 CYS O O -1.934 -3.722 -0.884 1.00 . A A . 38 CYS O 1 1 18 10455 1 1 38 CYS SG S 0.115 -0.473 2.049 1.00 . A A . 38 CYS SG 1 1 18 10456 1 1 39 TYR C C 0.539 -5.290 -2.404 1.00 . A A . 39 TYR C 1 1 18 10457 1 1 39 TYR CA C -0.227 -4.129 -3.025 1.00 . A A . 39 TYR CA 1 1 18 10458 1 1 39 TYR CB C 0.373 -3.791 -4.393 1.00 . A A . 39 TYR CB 1 1 18 10459 1 1 39 TYR CD1 C -1.725 -3.782 -5.792 1.00 . A A . 39 TYR CD1 1 1 18 10460 1 1 39 TYR CD2 C -0.374 -1.820 -5.778 1.00 . A A . 39 TYR CD2 1 1 18 10461 1 1 39 TYR CE1 C -2.605 -3.176 -6.665 1.00 . A A . 39 TYR CE1 1 1 18 10462 1 1 39 TYR CE2 C -1.251 -1.204 -6.648 1.00 . A A . 39 TYR CE2 1 1 18 10463 1 1 39 TYR CG C -0.595 -3.115 -5.335 1.00 . A A . 39 TYR CG 1 1 18 10464 1 1 39 TYR CZ C -2.364 -1.888 -7.089 1.00 . A A . 39 TYR CZ 1 1 18 10465 1 1 39 TYR H H 0.408 -2.228 -2.314 1.00 . A A . 39 TYR H 1 1 18 10466 1 1 39 TYR HA H -1.253 -4.452 -3.166 1.00 . A A . 39 TYR HA 1 1 18 10467 1 1 39 TYR HB2 H 1.227 -3.142 -4.251 1.00 . A A . 39 TYR HB2 1 1 18 10468 1 1 39 TYR HB3 H 0.709 -4.702 -4.878 1.00 . A A . 39 TYR HB3 1 1 18 10469 1 1 39 TYR HD1 H -1.915 -4.793 -5.458 1.00 . A A . 39 TYR HD1 1 1 18 10470 1 1 39 TYR HD2 H 0.479 -1.296 -5.435 1.00 . A A . 39 TYR HD2 1 1 18 10471 1 1 39 TYR HE1 H -3.478 -3.710 -7.009 1.00 . A A . 39 TYR HE1 1 1 18 10472 1 1 39 TYR HE2 H -1.062 -0.194 -6.981 1.00 . A A . 39 TYR HE2 1 1 18 10473 1 1 39 TYR HH H -3.354 -0.353 -7.738 1.00 . A A . 39 TYR HH 1 1 18 10474 1 1 39 TYR N N -0.237 -2.957 -2.149 1.00 . A A . 39 TYR N 1 1 18 10475 1 1 39 TYR O O 0.613 -6.373 -2.981 1.00 . A A . 39 TYR O 1 1 18 10476 1 1 39 TYR OH O -3.234 -1.284 -7.964 1.00 . A A . 39 TYR OH 1 1 18 10477 1 1 40 GLY C C 3.327 -5.986 -0.745 1.00 . A A . 40 GLY C 1 1 18 10478 1 1 40 GLY CA C 1.831 -6.105 -0.545 1.00 . A A . 40 GLY CA 1 1 18 10479 1 1 40 GLY H H 1.044 -4.189 -0.798 1.00 . A A . 40 GLY H 1 1 18 10480 1 1 40 GLY HA2 H 1.611 -6.027 0.511 1.00 . A A . 40 GLY HA2 1 1 18 10481 1 1 40 GLY HA3 H 1.508 -7.081 -0.887 1.00 . A A . 40 GLY HA3 1 1 18 10482 1 1 40 GLY N N 1.107 -5.059 -1.231 1.00 . A A . 40 GLY N 1 1 18 10483 1 1 40 GLY O O 3.788 -5.609 -1.822 1.00 . A A . 40 GLY O 1 1 18 10484 1 1 41 CYS C C 6.103 -6.887 1.501 1.00 . A A . 41 CYS C 1 1 18 10485 1 1 41 CYS CA C 5.530 -6.228 0.256 1.00 . A A . 41 CYS CA 1 1 18 10486 1 1 41 CYS CB C 5.992 -4.772 0.158 1.00 . A A . 41 CYS CB 1 1 18 10487 1 1 41 CYS H H 3.641 -6.587 1.137 1.00 . A A . 41 CYS H 1 1 18 10488 1 1 41 CYS HA H 5.874 -6.774 -0.614 1.00 . A A . 41 CYS HA 1 1 18 10489 1 1 41 CYS HB2 H 5.447 -4.315 -0.631 1.00 . A A . 41 CYS HB2 1 1 18 10490 1 1 41 CYS HB3 H 5.766 -4.274 1.046 1.00 . A A . 41 CYS HB3 1 1 18 10491 1 1 41 CYS N N 4.080 -6.300 0.300 1.00 . A A . 41 CYS N 1 1 18 10492 1 1 41 CYS O O 7.277 -7.311 1.472 1.00 . A A . 41 CYS O 1 1 18 10493 1 1 41 CYS OXT O 5.358 -7.008 2.499 1.00 . A A . 41 CYS OXT 1 1 18 10494 1 1 41 CYS SG S 7.775 -4.561 -0.162 1.00 . A A . 41 CYS SG 1 1 19 10495 1 1 1 TRP C C 5.222 3.093 11.010 1.00 . A A . 1 TRP C 1 1 19 10496 1 1 1 TRP CA C 5.948 1.875 11.563 1.00 . A A . 1 TRP CA 1 1 19 10497 1 1 1 TRP CB C 7.035 1.454 10.570 1.00 . A A . 1 TRP CB 1 1 19 10498 1 1 1 TRP CD1 C 7.300 -1.022 9.967 1.00 . A A . 1 TRP CD1 1 1 19 10499 1 1 1 TRP CD2 C 8.351 -0.421 11.848 1.00 . A A . 1 TRP CD2 1 1 19 10500 1 1 1 TRP CE2 C 8.570 -1.795 11.631 1.00 . A A . 1 TRP CE2 1 1 19 10501 1 1 1 TRP CE3 C 8.918 0.181 12.975 1.00 . A A . 1 TRP CE3 1 1 19 10502 1 1 1 TRP CG C 7.535 0.054 10.773 1.00 . A A . 1 TRP CG 1 1 19 10503 1 1 1 TRP CH2 C 9.877 -1.955 13.591 1.00 . A A . 1 TRP CH2 1 1 19 10504 1 1 1 TRP CZ2 C 9.332 -2.573 12.500 1.00 . A A . 1 TRP CZ2 1 1 19 10505 1 1 1 TRP CZ3 C 9.675 -0.592 13.833 1.00 . A A . 1 TRP CZ3 1 1 19 10506 1 1 1 TRP H1 H 4.179 1.127 12.331 1.00 . A A . 1 TRP H1 1 1 19 10507 1 1 1 TRP H2 H 5.480 0.032 12.332 1.00 . A A . 1 TRP H2 1 1 19 10508 1 1 1 TRP H3 H 4.684 0.392 10.863 1.00 . A A . 1 TRP H3 1 1 19 10509 1 1 1 TRP HA H 6.403 2.131 12.508 1.00 . A A . 1 TRP HA 1 1 19 10510 1 1 1 TRP HB2 H 6.654 1.526 9.557 1.00 . A A . 1 TRP HB2 1 1 19 10511 1 1 1 TRP HB3 H 7.877 2.123 10.674 1.00 . A A . 1 TRP HB3 1 1 19 10512 1 1 1 TRP HD1 H 6.709 -0.987 9.064 1.00 . A A . 1 TRP HD1 1 1 19 10513 1 1 1 TRP HE1 H 7.893 -3.032 10.077 1.00 . A A . 1 TRP HE1 1 1 19 10514 1 1 1 TRP HE3 H 8.774 1.232 13.179 1.00 . A A . 1 TRP HE3 1 1 19 10515 1 1 1 TRP HH2 H 10.476 -2.520 14.290 1.00 . A A . 1 TRP HH2 1 1 19 10516 1 1 1 TRP HZ2 H 9.498 -3.626 12.328 1.00 . A A . 1 TRP HZ2 1 1 19 10517 1 1 1 TRP HZ3 H 10.123 -0.143 14.707 1.00 . A A . 1 TRP HZ3 1 1 19 10518 1 1 1 TRP N N 4.990 0.767 11.781 1.00 . A A . 1 TRP N 1 1 19 10519 1 1 1 TRP NE1 N 7.916 -2.137 10.476 1.00 . A A . 1 TRP NE1 1 1 19 10520 1 1 1 TRP O O 5.764 4.200 10.988 1.00 . A A . 1 TRP O 1 1 19 10521 1 1 2 CYS C C 2.585 4.844 10.984 1.00 . A A . 2 CYS C 1 1 19 10522 1 1 2 CYS CA C 3.222 3.942 9.934 1.00 . A A . 2 CYS CA 1 1 19 10523 1 1 2 CYS CB C 2.148 3.341 9.027 1.00 . A A . 2 CYS CB 1 1 19 10524 1 1 2 CYS H H 3.598 1.993 10.586 1.00 . A A . 2 CYS H 1 1 19 10525 1 1 2 CYS HA H 3.886 4.534 9.322 1.00 . A A . 2 CYS HA 1 1 19 10526 1 1 2 CYS HB2 H 2.627 2.693 8.306 1.00 . A A . 2 CYS HB2 1 1 19 10527 1 1 2 CYS HB3 H 1.465 2.756 9.625 1.00 . A A . 2 CYS HB3 1 1 19 10528 1 1 2 CYS N N 3.995 2.885 10.557 1.00 . A A . 2 CYS N 1 1 19 10529 1 1 2 CYS O O 1.576 4.497 11.601 1.00 . A A . 2 CYS O 1 1 19 10530 1 1 2 CYS SG S 1.196 4.579 8.099 1.00 . A A . 2 CYS SG 1 1 19 10531 1 1 3 SER C C 1.749 7.963 11.478 1.00 . A A . 3 SER C 1 1 19 10532 1 1 3 SER CA C 2.703 6.973 12.149 1.00 . A A . 3 SER CA 1 1 19 10533 1 1 3 SER CB C 3.886 7.715 12.769 1.00 . A A . 3 SER CB 1 1 19 10534 1 1 3 SER H H 4.009 6.214 10.672 1.00 . A A . 3 SER H 1 1 19 10535 1 1 3 SER HA H 2.169 6.457 12.939 1.00 . A A . 3 SER HA 1 1 19 10536 1 1 3 SER HB2 H 4.338 8.366 12.032 1.00 . A A . 3 SER HB2 1 1 19 10537 1 1 3 SER HB3 H 3.543 8.302 13.608 1.00 . A A . 3 SER HB3 1 1 19 10538 1 1 3 SER HG H 4.617 6.451 14.081 1.00 . A A . 3 SER HG 1 1 19 10539 1 1 3 SER N N 3.198 5.997 11.192 1.00 . A A . 3 SER N 1 1 19 10540 1 1 3 SER O O 1.360 8.968 12.072 1.00 . A A . 3 SER O 1 1 19 10541 1 1 3 SER OG O 4.869 6.798 13.221 1.00 . A A . 3 SER OG 1 1 19 10542 1 1 4 THR C C -0.330 7.810 8.458 1.00 . A A . 4 THR C 1 1 19 10543 1 1 4 THR CA C 0.517 8.581 9.469 1.00 . A A . 4 THR CA 1 1 19 10544 1 1 4 THR CB C 1.349 9.646 8.724 1.00 . A A . 4 THR CB 1 1 19 10545 1 1 4 THR CG2 C 0.454 10.729 8.143 1.00 . A A . 4 THR CG2 1 1 19 10546 1 1 4 THR H H 1.715 6.891 9.780 1.00 . A A . 4 THR H 1 1 19 10547 1 1 4 THR HA H -0.154 9.081 10.161 1.00 . A A . 4 THR HA 1 1 19 10548 1 1 4 THR HB H 1.898 9.185 7.912 1.00 . A A . 4 THR HB 1 1 19 10549 1 1 4 THR HG1 H 1.842 10.654 10.372 1.00 . A A . 4 THR HG1 1 1 19 10550 1 1 4 THR HG21 H -0.179 10.307 7.377 1.00 . A A . 4 THR HG21 1 1 19 10551 1 1 4 THR HG22 H 1.068 11.505 7.710 1.00 . A A . 4 THR HG22 1 1 19 10552 1 1 4 THR HG23 H -0.160 11.155 8.925 1.00 . A A . 4 THR HG23 1 1 19 10553 1 1 4 THR N N 1.379 7.683 10.230 1.00 . A A . 4 THR N 1 1 19 10554 1 1 4 THR O O 0.004 7.742 7.274 1.00 . A A . 4 THR O 1 1 19 10555 1 1 4 THR OG1 O 2.290 10.245 9.619 1.00 . A A . 4 THR OG1 1 1 19 10556 1 1 5 CYS C C -3.616 6.130 8.833 1.00 . A A . 5 CYS C 1 1 19 10557 1 1 5 CYS CA C -2.349 6.492 8.071 1.00 . A A . 5 CYS CA 1 1 19 10558 1 1 5 CYS CB C -1.693 5.229 7.494 1.00 . A A . 5 CYS CB 1 1 19 10559 1 1 5 CYS H H -1.627 7.299 9.897 1.00 . A A . 5 CYS H 1 1 19 10560 1 1 5 CYS HA H -2.608 7.142 7.261 1.00 . A A . 5 CYS HA 1 1 19 10561 1 1 5 CYS HB2 H -2.453 4.572 7.089 1.00 . A A . 5 CYS HB2 1 1 19 10562 1 1 5 CYS HB3 H -1.041 5.529 6.693 1.00 . A A . 5 CYS HB3 1 1 19 10563 1 1 5 CYS N N -1.420 7.218 8.935 1.00 . A A . 5 CYS N 1 1 19 10564 1 1 5 CYS O O -3.958 4.957 8.977 1.00 . A A . 5 CYS O 1 1 19 10565 1 1 5 CYS SG S -0.717 4.269 8.699 1.00 . A A . 5 CYS SG 1 1 19 10566 1 1 6 LEU C C -6.735 6.747 9.196 1.00 . A A . 6 LEU C 1 1 19 10567 1 1 6 LEU CA C -5.518 6.950 10.104 1.00 . A A . 6 LEU CA 1 1 19 10568 1 1 6 LEU CB C -5.739 8.143 11.041 1.00 . A A . 6 LEU CB 1 1 19 10569 1 1 6 LEU CD1 C -6.533 6.771 12.981 1.00 . A A . 6 LEU CD1 1 1 19 10570 1 1 6 LEU CD2 C -6.993 9.228 12.916 1.00 . A A . 6 LEU CD2 1 1 19 10571 1 1 6 LEU CG C -6.841 7.963 12.086 1.00 . A A . 6 LEU CG 1 1 19 10572 1 1 6 LEU H H -3.987 8.071 9.162 1.00 . A A . 6 LEU H 1 1 19 10573 1 1 6 LEU HA H -5.382 6.057 10.697 1.00 . A A . 6 LEU HA 1 1 19 10574 1 1 6 LEU HB2 H -4.807 8.323 11.564 1.00 . A A . 6 LEU HB2 1 1 19 10575 1 1 6 LEU HB3 H -5.960 9.020 10.453 1.00 . A A . 6 LEU HB3 1 1 19 10576 1 1 6 LEU HD11 H -6.566 5.863 12.402 1.00 . A A . 6 LEU HD11 1 1 19 10577 1 1 6 LEU HD12 H -7.270 6.709 13.771 1.00 . A A . 6 LEU HD12 1 1 19 10578 1 1 6 LEU HD13 H -5.550 6.884 13.419 1.00 . A A . 6 LEU HD13 1 1 19 10579 1 1 6 LEU HD21 H -7.790 9.096 13.635 1.00 . A A . 6 LEU HD21 1 1 19 10580 1 1 6 LEU HD22 H -7.234 10.060 12.268 1.00 . A A . 6 LEU HD22 1 1 19 10581 1 1 6 LEU HD23 H -6.069 9.437 13.439 1.00 . A A . 6 LEU HD23 1 1 19 10582 1 1 6 LEU HG H -7.779 7.773 11.585 1.00 . A A . 6 LEU HG 1 1 19 10583 1 1 6 LEU N N -4.310 7.150 9.317 1.00 . A A . 6 LEU N 1 1 19 10584 1 1 6 LEU O O -7.216 5.625 9.037 1.00 . A A . 6 LEU O 1 1 19 10585 1 1 7 ASP C C -8.112 8.276 6.343 1.00 . A A . 7 ASP C 1 1 19 10586 1 1 7 ASP CA C -8.405 7.748 7.737 1.00 . A A . 7 ASP CA 1 1 19 10587 1 1 7 ASP CB C -9.571 8.544 8.340 1.00 . A A . 7 ASP CB 1 1 19 10588 1 1 7 ASP CG C -10.052 7.998 9.668 1.00 . A A . 7 ASP CG 1 1 19 10589 1 1 7 ASP H H -6.795 8.700 8.709 1.00 . A A . 7 ASP H 1 1 19 10590 1 1 7 ASP HA H -8.714 6.713 7.641 1.00 . A A . 7 ASP HA 1 1 19 10591 1 1 7 ASP HB2 H -9.258 9.567 8.489 1.00 . A A . 7 ASP HB2 1 1 19 10592 1 1 7 ASP HB3 H -10.408 8.530 7.651 1.00 . A A . 7 ASP HB3 1 1 19 10593 1 1 7 ASP N N -7.216 7.824 8.584 1.00 . A A . 7 ASP N 1 1 19 10594 1 1 7 ASP O O -8.487 9.398 6.002 1.00 . A A . 7 ASP O 1 1 19 10595 1 1 7 ASP OD1 O -10.534 6.845 9.708 1.00 . A A . 7 ASP OD1 1 1 19 10596 1 1 7 ASP OD2 O -9.974 8.736 10.674 1.00 . A A . 7 ASP OD2 1 1 19 10597 1 1 8 LEU C C -8.067 7.110 3.197 1.00 . A A . 8 LEU C 1 1 19 10598 1 1 8 LEU CA C -7.146 7.848 4.163 1.00 . A A . 8 LEU CA 1 1 19 10599 1 1 8 LEU CB C -5.680 7.562 3.804 1.00 . A A . 8 LEU CB 1 1 19 10600 1 1 8 LEU CD1 C -4.469 8.287 5.889 1.00 . A A . 8 LEU CD1 1 1 19 10601 1 1 8 LEU CD2 C -3.313 8.369 3.674 1.00 . A A . 8 LEU CD2 1 1 19 10602 1 1 8 LEU CG C -4.642 8.520 4.398 1.00 . A A . 8 LEU CG 1 1 19 10603 1 1 8 LEU H H -7.164 6.579 5.856 1.00 . A A . 8 LEU H 1 1 19 10604 1 1 8 LEU HA H -7.316 8.900 4.055 1.00 . A A . 8 LEU HA 1 1 19 10605 1 1 8 LEU HB2 H -5.448 6.562 4.137 1.00 . A A . 8 LEU HB2 1 1 19 10606 1 1 8 LEU HB3 H -5.577 7.593 2.724 1.00 . A A . 8 LEU HB3 1 1 19 10607 1 1 8 LEU HD11 H -4.331 7.232 6.080 1.00 . A A . 8 LEU HD11 1 1 19 10608 1 1 8 LEU HD12 H -5.349 8.632 6.409 1.00 . A A . 8 LEU HD12 1 1 19 10609 1 1 8 LEU HD13 H -3.609 8.834 6.253 1.00 . A A . 8 LEU HD13 1 1 19 10610 1 1 8 LEU HD21 H -2.939 7.362 3.802 1.00 . A A . 8 LEU HD21 1 1 19 10611 1 1 8 LEU HD22 H -2.597 9.071 4.079 1.00 . A A . 8 LEU HD22 1 1 19 10612 1 1 8 LEU HD23 H -3.449 8.570 2.620 1.00 . A A . 8 LEU HD23 1 1 19 10613 1 1 8 LEU HG H -4.980 9.537 4.259 1.00 . A A . 8 LEU HG 1 1 19 10614 1 1 8 LEU N N -7.442 7.470 5.538 1.00 . A A . 8 LEU N 1 1 19 10615 1 1 8 LEU O O -7.627 6.665 2.134 1.00 . A A . 8 LEU O 1 1 19 10616 1 1 9 ALA C C -10.456 6.813 1.378 1.00 . A A . 9 ALA C 1 1 19 10617 1 1 9 ALA CA C -10.349 6.271 2.799 1.00 . A A . 9 ALA CA 1 1 19 10618 1 1 9 ALA CB C -11.703 6.346 3.492 1.00 . A A . 9 ALA CB 1 1 19 10619 1 1 9 ALA H H -9.623 7.391 4.433 1.00 . A A . 9 ALA H 1 1 19 10620 1 1 9 ALA HA H -10.053 5.231 2.760 1.00 . A A . 9 ALA HA 1 1 19 10621 1 1 9 ALA HB1 H -12.035 7.374 3.534 1.00 . A A . 9 ALA HB1 1 1 19 10622 1 1 9 ALA HB2 H -11.612 5.959 4.496 1.00 . A A . 9 ALA HB2 1 1 19 10623 1 1 9 ALA HB3 H -12.425 5.755 2.946 1.00 . A A . 9 ALA HB3 1 1 19 10624 1 1 9 ALA N N -9.342 6.999 3.580 1.00 . A A . 9 ALA N 1 1 19 10625 1 1 9 ALA O O -11.333 7.621 1.069 1.00 . A A . 9 ALA O 1 1 19 10626 1 1 10 CYS C C -9.178 8.342 -0.844 1.00 . A A . 10 CYS C 1 1 19 10627 1 1 10 CYS CA C -9.430 6.847 -0.834 1.00 . A A . 10 CYS CA 1 1 19 10628 1 1 10 CYS CB C -10.642 6.477 -1.687 1.00 . A A . 10 CYS CB 1 1 19 10629 1 1 10 CYS H H -8.882 5.704 0.839 1.00 . A A . 10 CYS H 1 1 19 10630 1 1 10 CYS HA H -8.555 6.430 -1.227 1.00 . A A . 10 CYS HA 1 1 19 10631 1 1 10 CYS HB2 H -11.524 6.412 -1.069 1.00 . A A . 10 CYS HB2 1 1 19 10632 1 1 10 CYS HB3 H -10.808 7.219 -2.456 1.00 . A A . 10 CYS HB3 1 1 19 10633 1 1 10 CYS N N -9.553 6.352 0.525 1.00 . A A . 10 CYS N 1 1 19 10634 1 1 10 CYS O O -9.816 9.094 -1.579 1.00 . A A . 10 CYS O 1 1 19 10635 1 1 10 CYS SG S -10.451 4.877 -2.539 1.00 . A A . 10 CYS SG 1 1 19 10636 1 1 11 THR C C -6.796 10.352 -1.157 1.00 . A A . 11 THR C 1 1 19 10637 1 1 11 THR CA C -7.791 10.147 -0.015 1.00 . A A . 11 THR CA 1 1 19 10638 1 1 11 THR CB C -7.162 10.515 1.341 1.00 . A A . 11 THR CB 1 1 19 10639 1 1 11 THR CG2 C -6.809 11.993 1.417 1.00 . A A . 11 THR CG2 1 1 19 10640 1 1 11 THR H H -7.757 8.116 0.556 1.00 . A A . 11 THR H 1 1 19 10641 1 1 11 THR HA H -8.652 10.787 -0.187 1.00 . A A . 11 THR HA 1 1 19 10642 1 1 11 THR HB H -6.258 9.938 1.490 1.00 . A A . 11 THR HB 1 1 19 10643 1 1 11 THR HG1 H -7.867 10.668 3.200 1.00 . A A . 11 THR HG1 1 1 19 10644 1 1 11 THR HG21 H -6.000 12.208 0.736 1.00 . A A . 11 THR HG21 1 1 19 10645 1 1 11 THR HG22 H -6.501 12.235 2.423 1.00 . A A . 11 THR HG22 1 1 19 10646 1 1 11 THR HG23 H -7.671 12.590 1.154 1.00 . A A . 11 THR HG23 1 1 19 10647 1 1 11 THR N N -8.237 8.767 -0.010 1.00 . A A . 11 THR N 1 1 19 10648 1 1 11 THR O O -6.498 11.476 -1.561 1.00 . A A . 11 THR O 1 1 19 10649 1 1 11 THR OG1 O -8.088 10.194 2.390 1.00 . A A . 11 THR OG1 1 1 19 10650 1 1 12 GLY C C -4.438 8.111 -2.771 1.00 . A A . 12 GLY C 1 1 19 10651 1 1 12 GLY CA C -5.407 9.269 -2.814 1.00 . A A . 12 GLY CA 1 1 19 10652 1 1 12 GLY H H -6.593 8.362 -1.350 1.00 . A A . 12 GLY H 1 1 19 10653 1 1 12 GLY HA2 H -5.983 9.227 -3.728 1.00 . A A . 12 GLY HA2 1 1 19 10654 1 1 12 GLY HA3 H -4.837 10.191 -2.805 1.00 . A A . 12 GLY HA3 1 1 19 10655 1 1 12 GLY N N -6.316 9.237 -1.692 1.00 . A A . 12 GLY N 1 1 19 10656 1 1 12 GLY O O -3.756 7.916 -1.771 1.00 . A A . 12 GLY O 1 1 19 10657 1 1 13 SER C C -2.031 6.613 -3.661 1.00 . A A . 13 SER C 1 1 19 10658 1 1 13 SER CA C -3.480 6.184 -3.892 1.00 . A A . 13 SER CA 1 1 19 10659 1 1 13 SER CB C -3.626 5.469 -5.233 1.00 . A A . 13 SER CB 1 1 19 10660 1 1 13 SER H H -4.955 7.526 -4.617 1.00 . A A . 13 SER H 1 1 19 10661 1 1 13 SER HA H -3.767 5.501 -3.103 1.00 . A A . 13 SER HA 1 1 19 10662 1 1 13 SER HB2 H -3.314 6.131 -6.029 1.00 . A A . 13 SER HB2 1 1 19 10663 1 1 13 SER HB3 H -3.012 4.583 -5.243 1.00 . A A . 13 SER HB3 1 1 19 10664 1 1 13 SER HG H -5.090 4.837 -6.374 1.00 . A A . 13 SER HG 1 1 19 10665 1 1 13 SER N N -4.377 7.330 -3.841 1.00 . A A . 13 SER N 1 1 19 10666 1 1 13 SER O O -1.285 5.958 -2.934 1.00 . A A . 13 SER O 1 1 19 10667 1 1 13 SER OG O -4.978 5.100 -5.458 1.00 . A A . 13 SER OG 1 1 19 10668 1 1 14 LYS C C -0.093 8.879 -2.725 1.00 . A A . 14 LYS C 1 1 19 10669 1 1 14 LYS CA C -0.291 8.249 -4.097 1.00 . A A . 14 LYS CA 1 1 19 10670 1 1 14 LYS CB C 0.032 9.239 -5.212 1.00 . A A . 14 LYS CB 1 1 19 10671 1 1 14 LYS CD C 0.393 9.569 -7.681 1.00 . A A . 14 LYS CD 1 1 19 10672 1 1 14 LYS CE C 0.352 8.908 -9.051 1.00 . A A . 14 LYS CE 1 1 19 10673 1 1 14 LYS CG C -0.032 8.606 -6.590 1.00 . A A . 14 LYS CG 1 1 19 10674 1 1 14 LYS H H -2.293 8.257 -4.787 1.00 . A A . 14 LYS H 1 1 19 10675 1 1 14 LYS HA H 0.372 7.432 -4.180 1.00 . A A . 14 LYS HA 1 1 19 10676 1 1 14 LYS HB2 H -0.677 10.054 -5.174 1.00 . A A . 14 LYS HB2 1 1 19 10677 1 1 14 LYS HB3 H 1.031 9.629 -5.061 1.00 . A A . 14 LYS HB3 1 1 19 10678 1 1 14 LYS HD2 H -0.276 10.417 -7.683 1.00 . A A . 14 LYS HD2 1 1 19 10679 1 1 14 LYS HD3 H 1.402 9.903 -7.485 1.00 . A A . 14 LYS HD3 1 1 19 10680 1 1 14 LYS HE2 H -0.658 8.583 -9.255 1.00 . A A . 14 LYS HE2 1 1 19 10681 1 1 14 LYS HE3 H 0.651 9.634 -9.793 1.00 . A A . 14 LYS HE3 1 1 19 10682 1 1 14 LYS HG2 H 0.625 7.749 -6.606 1.00 . A A . 14 LYS HG2 1 1 19 10683 1 1 14 LYS HG3 H -1.048 8.286 -6.777 1.00 . A A . 14 LYS HG3 1 1 19 10684 1 1 14 LYS HZ1 H 0.872 6.939 -8.588 1.00 . A A . 14 LYS HZ1 1 1 19 10685 1 1 14 LYS HZ2 H 2.204 7.972 -8.752 1.00 . A A . 14 LYS HZ2 1 1 19 10686 1 1 14 LYS HZ3 H 1.369 7.440 -10.122 1.00 . A A . 14 LYS HZ3 1 1 19 10687 1 1 14 LYS N N -1.650 7.745 -4.242 1.00 . A A . 14 LYS N 1 1 19 10688 1 1 14 LYS NZ N 1.262 7.736 -9.130 1.00 . A A . 14 LYS NZ 1 1 19 10689 1 1 14 LYS O O 1.037 9.094 -2.283 1.00 . A A . 14 LYS O 1 1 19 10690 1 1 15 ASP C C -0.932 8.364 0.220 1.00 . A A . 15 ASP C 1 1 19 10691 1 1 15 ASP CA C -1.142 9.590 -0.658 1.00 . A A . 15 ASP CA 1 1 19 10692 1 1 15 ASP CB C -2.437 10.314 -0.262 1.00 . A A . 15 ASP CB 1 1 19 10693 1 1 15 ASP CG C -2.288 11.144 1.000 1.00 . A A . 15 ASP CG 1 1 19 10694 1 1 15 ASP H H -2.065 8.979 -2.434 1.00 . A A . 15 ASP H 1 1 19 10695 1 1 15 ASP HA H -0.297 10.261 -0.536 1.00 . A A . 15 ASP HA 1 1 19 10696 1 1 15 ASP HB2 H -2.726 10.978 -1.063 1.00 . A A . 15 ASP HB2 1 1 19 10697 1 1 15 ASP HB3 H -3.228 9.594 -0.103 1.00 . A A . 15 ASP HB3 1 1 19 10698 1 1 15 ASP N N -1.195 9.159 -2.047 1.00 . A A . 15 ASP N 1 1 19 10699 1 1 15 ASP O O -0.333 8.437 1.293 1.00 . A A . 15 ASP O 1 1 19 10700 1 1 15 ASP OD1 O -1.203 11.730 1.208 1.00 . A A . 15 ASP OD1 1 1 19 10701 1 1 15 ASP OD2 O -3.260 11.251 1.770 1.00 . A A . 15 ASP OD2 1 1 19 10702 1 1 16 CYS C C 0.125 5.362 0.124 1.00 . A A . 16 CYS C 1 1 19 10703 1 1 16 CYS CA C -1.263 5.944 0.396 1.00 . A A . 16 CYS CA 1 1 19 10704 1 1 16 CYS CB C -2.335 4.966 -0.087 1.00 . A A . 16 CYS CB 1 1 19 10705 1 1 16 CYS H H -1.897 7.243 -1.125 1.00 . A A . 16 CYS H 1 1 19 10706 1 1 16 CYS HA H -1.379 6.087 1.463 1.00 . A A . 16 CYS HA 1 1 19 10707 1 1 16 CYS HB2 H -2.192 4.773 -1.138 1.00 . A A . 16 CYS HB2 1 1 19 10708 1 1 16 CYS HB3 H -2.220 4.049 0.444 1.00 . A A . 16 CYS HB3 1 1 19 10709 1 1 16 CYS N N -1.430 7.232 -0.269 1.00 . A A . 16 CYS N 1 1 19 10710 1 1 16 CYS O O 0.598 4.492 0.867 1.00 . A A . 16 CYS O 1 1 19 10711 1 1 16 CYS SG S -4.044 5.568 0.121 1.00 . A A . 16 CYS SG 1 1 19 10712 1 1 17 TYR C C 3.046 5.503 -0.060 1.00 . A A . 17 TYR C 1 1 19 10713 1 1 17 TYR CA C 2.139 5.450 -1.289 1.00 . A A . 17 TYR CA 1 1 19 10714 1 1 17 TYR CB C 2.725 6.380 -2.358 1.00 . A A . 17 TYR CB 1 1 19 10715 1 1 17 TYR CD1 C 1.305 5.260 -4.138 1.00 . A A . 17 TYR CD1 1 1 19 10716 1 1 17 TYR CD2 C 3.298 6.377 -4.812 1.00 . A A . 17 TYR CD2 1 1 19 10717 1 1 17 TYR CE1 C 1.046 4.923 -5.455 1.00 . A A . 17 TYR CE1 1 1 19 10718 1 1 17 TYR CE2 C 3.043 6.047 -6.127 1.00 . A A . 17 TYR CE2 1 1 19 10719 1 1 17 TYR CG C 2.434 5.993 -3.794 1.00 . A A . 17 TYR CG 1 1 19 10720 1 1 17 TYR CZ C 1.920 5.322 -6.444 1.00 . A A . 17 TYR CZ 1 1 19 10721 1 1 17 TYR H H 0.317 6.496 -1.524 1.00 . A A . 17 TYR H 1 1 19 10722 1 1 17 TYR HA H 2.126 4.435 -1.660 1.00 . A A . 17 TYR HA 1 1 19 10723 1 1 17 TYR HB2 H 2.346 7.366 -2.207 1.00 . A A . 17 TYR HB2 1 1 19 10724 1 1 17 TYR HB3 H 3.806 6.411 -2.246 1.00 . A A . 17 TYR HB3 1 1 19 10725 1 1 17 TYR HD1 H 0.629 4.941 -3.375 1.00 . A A . 17 TYR HD1 1 1 19 10726 1 1 17 TYR HD2 H 4.183 6.948 -4.568 1.00 . A A . 17 TYR HD2 1 1 19 10727 1 1 17 TYR HE1 H 0.163 4.353 -5.703 1.00 . A A . 17 TYR HE1 1 1 19 10728 1 1 17 TYR HE2 H 3.729 6.356 -6.902 1.00 . A A . 17 TYR HE2 1 1 19 10729 1 1 17 TYR HH H 2.005 4.127 -7.946 1.00 . A A . 17 TYR HH 1 1 19 10730 1 1 17 TYR N N 0.758 5.829 -0.958 1.00 . A A . 17 TYR N 1 1 19 10731 1 1 17 TYR O O 3.695 4.515 0.283 1.00 . A A . 17 TYR O 1 1 19 10732 1 1 17 TYR OH O 1.666 5.005 -7.757 1.00 . A A . 17 TYR OH 1 1 19 10733 1 1 18 ALA C C 3.755 5.857 2.856 1.00 . A A . 18 ALA C 1 1 19 10734 1 1 18 ALA CA C 3.961 6.891 1.738 1.00 . A A . 18 ALA CA 1 1 19 10735 1 1 18 ALA CB C 3.808 8.317 2.266 1.00 . A A . 18 ALA CB 1 1 19 10736 1 1 18 ALA H H 2.516 7.409 0.269 1.00 . A A . 18 ALA H 1 1 19 10737 1 1 18 ALA HA H 4.976 6.792 1.375 1.00 . A A . 18 ALA HA 1 1 19 10738 1 1 18 ALA HB1 H 2.838 8.711 1.999 1.00 . A A . 18 ALA HB1 1 1 19 10739 1 1 18 ALA HB2 H 4.571 8.938 1.823 1.00 . A A . 18 ALA HB2 1 1 19 10740 1 1 18 ALA HB3 H 3.920 8.339 3.343 1.00 . A A . 18 ALA HB3 1 1 19 10741 1 1 18 ALA N N 3.071 6.662 0.599 1.00 . A A . 18 ALA N 1 1 19 10742 1 1 18 ALA O O 4.714 5.188 3.244 1.00 . A A . 18 ALA O 1 1 19 10743 1 1 19 PRO C C 2.658 3.279 4.010 1.00 . A A . 19 PRO C 1 1 19 10744 1 1 19 PRO CA C 2.245 4.691 4.433 1.00 . A A . 19 PRO CA 1 1 19 10745 1 1 19 PRO CB C 0.728 4.766 4.609 1.00 . A A . 19 PRO CB 1 1 19 10746 1 1 19 PRO CD C 1.323 6.514 3.104 1.00 . A A . 19 PRO CD 1 1 19 10747 1 1 19 PRO CG C 0.371 6.151 4.205 1.00 . A A . 19 PRO CG 1 1 19 10748 1 1 19 PRO HA H 2.729 4.938 5.367 1.00 . A A . 19 PRO HA 1 1 19 10749 1 1 19 PRO HB2 H 0.239 4.045 3.964 1.00 . A A . 19 PRO HB2 1 1 19 10750 1 1 19 PRO HB3 H 0.462 4.570 5.613 1.00 . A A . 19 PRO HB3 1 1 19 10751 1 1 19 PRO HD2 H 0.913 6.284 2.162 1.00 . A A . 19 PRO HD2 1 1 19 10752 1 1 19 PRO HD3 H 1.541 7.560 3.167 1.00 . A A . 19 PRO HD3 1 1 19 10753 1 1 19 PRO HG2 H -0.647 6.179 3.846 1.00 . A A . 19 PRO HG2 1 1 19 10754 1 1 19 PRO HG3 H 0.494 6.821 5.041 1.00 . A A . 19 PRO HG3 1 1 19 10755 1 1 19 PRO N N 2.524 5.702 3.403 1.00 . A A . 19 PRO N 1 1 19 10756 1 1 19 PRO O O 3.308 2.559 4.774 1.00 . A A . 19 PRO O 1 1 19 10757 1 1 20 CYS C C 4.123 1.380 2.128 1.00 . A A . 20 CYS C 1 1 19 10758 1 1 20 CYS CA C 2.618 1.553 2.300 1.00 . A A . 20 CYS CA 1 1 19 10759 1 1 20 CYS CB C 1.890 1.262 0.989 1.00 . A A . 20 CYS CB 1 1 19 10760 1 1 20 CYS H H 1.779 3.504 2.217 1.00 . A A . 20 CYS H 1 1 19 10761 1 1 20 CYS HA H 2.299 0.842 3.049 1.00 . A A . 20 CYS HA 1 1 19 10762 1 1 20 CYS HB2 H 1.959 2.128 0.352 1.00 . A A . 20 CYS HB2 1 1 19 10763 1 1 20 CYS HB3 H 2.347 0.415 0.492 1.00 . A A . 20 CYS HB3 1 1 19 10764 1 1 20 CYS N N 2.291 2.887 2.793 1.00 . A A . 20 CYS N 1 1 19 10765 1 1 20 CYS O O 4.667 0.314 2.417 1.00 . A A . 20 CYS O 1 1 19 10766 1 1 20 CYS SG S 0.127 0.872 1.218 1.00 . A A . 20 CYS SG 1 1 19 10767 1 1 21 ARG C C 6.918 2.314 2.873 1.00 . A A . 21 ARG C 1 1 19 10768 1 1 21 ARG CA C 6.242 2.398 1.511 1.00 . A A . 21 ARG CA 1 1 19 10769 1 1 21 ARG CB C 6.721 3.636 0.756 1.00 . A A . 21 ARG CB 1 1 19 10770 1 1 21 ARG CD C 8.502 4.735 -0.615 1.00 . A A . 21 ARG CD 1 1 19 10771 1 1 21 ARG CG C 8.116 3.497 0.172 1.00 . A A . 21 ARG CG 1 1 19 10772 1 1 21 ARG CZ C 10.449 5.489 -1.923 1.00 . A A . 21 ARG CZ 1 1 19 10773 1 1 21 ARG H H 4.315 3.271 1.484 1.00 . A A . 21 ARG H 1 1 19 10774 1 1 21 ARG HA H 6.493 1.511 0.940 1.00 . A A . 21 ARG HA 1 1 19 10775 1 1 21 ARG HB2 H 6.035 3.823 -0.060 1.00 . A A . 21 ARG HB2 1 1 19 10776 1 1 21 ARG HB3 H 6.709 4.492 1.421 1.00 . A A . 21 ARG HB3 1 1 19 10777 1 1 21 ARG HD2 H 7.682 5.030 -1.254 1.00 . A A . 21 ARG HD2 1 1 19 10778 1 1 21 ARG HD3 H 8.703 5.523 0.096 1.00 . A A . 21 ARG HD3 1 1 19 10779 1 1 21 ARG HE H 9.916 3.583 -1.664 1.00 . A A . 21 ARG HE 1 1 19 10780 1 1 21 ARG HG2 H 8.822 3.357 0.977 1.00 . A A . 21 ARG HG2 1 1 19 10781 1 1 21 ARG HG3 H 8.140 2.640 -0.486 1.00 . A A . 21 ARG HG3 1 1 19 10782 1 1 21 ARG HH11 H 9.415 7.014 -1.063 1.00 . A A . 21 ARG HH11 1 1 19 10783 1 1 21 ARG HH12 H 10.774 7.479 -2.011 1.00 . A A . 21 ARG HH12 1 1 19 10784 1 1 21 ARG HH21 H 11.679 4.233 -2.922 1.00 . A A . 21 ARG HH21 1 1 19 10785 1 1 21 ARG HH22 H 12.058 5.917 -3.070 1.00 . A A . 21 ARG HH22 1 1 19 10786 1 1 21 ARG N N 4.796 2.435 1.684 1.00 . A A . 21 ARG N 1 1 19 10787 1 1 21 ARG NE N 9.685 4.514 -1.438 1.00 . A A . 21 ARG NE 1 1 19 10788 1 1 21 ARG NH1 N 10.186 6.757 -1.639 1.00 . A A . 21 ARG NH1 1 1 19 10789 1 1 21 ARG NH2 N 11.477 5.189 -2.700 1.00 . A A . 21 ARG NH2 1 1 19 10790 1 1 21 ARG O O 7.896 1.593 3.050 1.00 . A A . 21 ARG O 1 1 19 10791 1 1 22 LYS C C 6.772 1.614 5.786 1.00 . A A . 22 LYS C 1 1 19 10792 1 1 22 LYS CA C 6.830 3.031 5.215 1.00 . A A . 22 LYS CA 1 1 19 10793 1 1 22 LYS CB C 5.954 3.978 6.049 1.00 . A A . 22 LYS CB 1 1 19 10794 1 1 22 LYS CD C 7.504 4.367 8.004 1.00 . A A . 22 LYS CD 1 1 19 10795 1 1 22 LYS CE C 7.692 5.844 7.694 1.00 . A A . 22 LYS CE 1 1 19 10796 1 1 22 LYS CG C 6.143 3.864 7.553 1.00 . A A . 22 LYS CG 1 1 19 10797 1 1 22 LYS H H 5.586 3.612 3.611 1.00 . A A . 22 LYS H 1 1 19 10798 1 1 22 LYS HA H 7.851 3.381 5.240 1.00 . A A . 22 LYS HA 1 1 19 10799 1 1 22 LYS HB2 H 6.144 4.991 5.741 1.00 . A A . 22 LYS HB2 1 1 19 10800 1 1 22 LYS HB3 H 4.924 3.759 5.838 1.00 . A A . 22 LYS HB3 1 1 19 10801 1 1 22 LYS HD2 H 7.592 4.223 9.070 1.00 . A A . 22 LYS HD2 1 1 19 10802 1 1 22 LYS HD3 H 8.275 3.801 7.500 1.00 . A A . 22 LYS HD3 1 1 19 10803 1 1 22 LYS HE2 H 7.750 5.976 6.626 1.00 . A A . 22 LYS HE2 1 1 19 10804 1 1 22 LYS HE3 H 6.851 6.401 8.084 1.00 . A A . 22 LYS HE3 1 1 19 10805 1 1 22 LYS HG2 H 5.388 4.464 8.027 1.00 . A A . 22 LYS HG2 1 1 19 10806 1 1 22 LYS HG3 H 6.022 2.840 7.866 1.00 . A A . 22 LYS HG3 1 1 19 10807 1 1 22 LYS HZ1 H 9.040 7.383 8.071 1.00 . A A . 22 LYS HZ1 1 1 19 10808 1 1 22 LYS HZ2 H 9.766 5.863 7.929 1.00 . A A . 22 LYS HZ2 1 1 19 10809 1 1 22 LYS HZ3 H 8.911 6.267 9.335 1.00 . A A . 22 LYS HZ3 1 1 19 10810 1 1 22 LYS N N 6.371 3.057 3.828 1.00 . A A . 22 LYS N 1 1 19 10811 1 1 22 LYS NZ N 8.937 6.373 8.299 1.00 . A A . 22 LYS NZ 1 1 19 10812 1 1 22 LYS O O 7.716 1.149 6.431 1.00 . A A . 22 LYS O 1 1 19 10813 1 1 23 GLN C C 6.235 -1.464 5.298 1.00 . A A . 23 GLN C 1 1 19 10814 1 1 23 GLN CA C 5.450 -0.404 6.067 1.00 . A A . 23 GLN CA 1 1 19 10815 1 1 23 GLN CB C 3.961 -0.752 6.048 1.00 . A A . 23 GLN CB 1 1 19 10816 1 1 23 GLN CD C 3.548 -0.289 8.490 1.00 . A A . 23 GLN CD 1 1 19 10817 1 1 23 GLN CG C 3.141 0.020 7.064 1.00 . A A . 23 GLN CG 1 1 19 10818 1 1 23 GLN H H 4.941 1.359 5.011 1.00 . A A . 23 GLN H 1 1 19 10819 1 1 23 GLN HA H 5.798 -0.418 7.092 1.00 . A A . 23 GLN HA 1 1 19 10820 1 1 23 GLN HB2 H 3.567 -0.535 5.066 1.00 . A A . 23 GLN HB2 1 1 19 10821 1 1 23 GLN HB3 H 3.833 -1.810 6.249 1.00 . A A . 23 GLN HB3 1 1 19 10822 1 1 23 GLN HE21 H 2.221 -1.777 8.589 1.00 . A A . 23 GLN HE21 1 1 19 10823 1 1 23 GLN HE22 H 3.166 -1.499 10.008 1.00 . A A . 23 GLN HE22 1 1 19 10824 1 1 23 GLN HG2 H 3.276 1.078 6.889 1.00 . A A . 23 GLN HG2 1 1 19 10825 1 1 23 GLN HG3 H 2.098 -0.233 6.933 1.00 . A A . 23 GLN HG3 1 1 19 10826 1 1 23 GLN N N 5.661 0.936 5.538 1.00 . A A . 23 GLN N 1 1 19 10827 1 1 23 GLN NE2 N 2.915 -1.286 9.085 1.00 . A A . 23 GLN NE2 1 1 19 10828 1 1 23 GLN O O 7.000 -2.227 5.890 1.00 . A A . 23 GLN O 1 1 19 10829 1 1 23 GLN OE1 O 4.419 0.371 9.059 1.00 . A A . 23 GLN OE1 1 1 19 10830 1 1 24 THR C C 8.010 -2.260 2.672 1.00 . A A . 24 THR C 1 1 19 10831 1 1 24 THR CA C 6.617 -2.599 3.195 1.00 . A A . 24 THR CA 1 1 19 10832 1 1 24 THR CB C 5.707 -2.958 2.002 1.00 . A A . 24 THR CB 1 1 19 10833 1 1 24 THR CG2 C 4.339 -3.417 2.486 1.00 . A A . 24 THR CG2 1 1 19 10834 1 1 24 THR H H 5.433 -0.880 3.559 1.00 . A A . 24 THR H 1 1 19 10835 1 1 24 THR HA H 6.704 -3.479 3.824 1.00 . A A . 24 THR HA 1 1 19 10836 1 1 24 THR HB H 6.140 -3.770 1.460 1.00 . A A . 24 THR HB 1 1 19 10837 1 1 24 THR HG1 H 5.337 -2.130 0.244 1.00 . A A . 24 THR HG1 1 1 19 10838 1 1 24 THR HG21 H 3.870 -2.625 3.053 1.00 . A A . 24 THR HG21 1 1 19 10839 1 1 24 THR HG22 H 4.450 -4.291 3.112 1.00 . A A . 24 THR HG22 1 1 19 10840 1 1 24 THR HG23 H 3.722 -3.662 1.634 1.00 . A A . 24 THR HG23 1 1 19 10841 1 1 24 THR N N 6.052 -1.516 3.988 1.00 . A A . 24 THR N 1 1 19 10842 1 1 24 THR O O 8.905 -3.103 2.680 1.00 . A A . 24 THR O 1 1 19 10843 1 1 24 THR OG1 O 5.556 -1.828 1.129 1.00 . A A . 24 THR OG1 1 1 19 10844 1 1 25 GLY C C 9.175 -0.300 0.123 1.00 . A A . 25 GLY C 1 1 19 10845 1 1 25 GLY CA C 9.423 -0.637 1.579 1.00 . A A . 25 GLY CA 1 1 19 10846 1 1 25 GLY H H 7.458 -0.369 2.284 1.00 . A A . 25 GLY H 1 1 19 10847 1 1 25 GLY HA2 H 9.825 0.237 2.070 1.00 . A A . 25 GLY HA2 1 1 19 10848 1 1 25 GLY HA3 H 10.158 -1.430 1.631 1.00 . A A . 25 GLY HA3 1 1 19 10849 1 1 25 GLY N N 8.197 -1.017 2.250 1.00 . A A . 25 GLY N 1 1 19 10850 1 1 25 GLY O O 10.002 0.337 -0.531 1.00 . A A . 25 GLY O 1 1 19 10851 1 1 26 CYS C C 6.463 0.487 -1.828 1.00 . A A . 26 CYS C 1 1 19 10852 1 1 26 CYS CA C 7.652 -0.468 -1.765 1.00 . A A . 26 CYS CA 1 1 19 10853 1 1 26 CYS CB C 7.326 -1.784 -2.478 1.00 . A A . 26 CYS CB 1 1 19 10854 1 1 26 CYS H H 7.390 -1.222 0.176 1.00 . A A . 26 CYS H 1 1 19 10855 1 1 26 CYS HA H 8.498 -0.019 -2.260 1.00 . A A . 26 CYS HA 1 1 19 10856 1 1 26 CYS HB2 H 6.626 -2.337 -1.890 1.00 . A A . 26 CYS HB2 1 1 19 10857 1 1 26 CYS HB3 H 6.875 -1.565 -3.439 1.00 . A A . 26 CYS HB3 1 1 19 10858 1 1 26 CYS N N 8.025 -0.722 -0.382 1.00 . A A . 26 CYS N 1 1 19 10859 1 1 26 CYS O O 5.515 0.363 -1.051 1.00 . A A . 26 CYS O 1 1 19 10860 1 1 26 CYS SG S 8.780 -2.844 -2.801 1.00 . A A . 26 CYS SG 1 1 19 10861 1 1 27 PRO C C 4.234 2.050 -3.648 1.00 . A A . 27 PRO C 1 1 19 10862 1 1 27 PRO CA C 5.468 2.498 -2.865 1.00 . A A . 27 PRO CA 1 1 19 10863 1 1 27 PRO CB C 6.199 3.607 -3.617 1.00 . A A . 27 PRO CB 1 1 19 10864 1 1 27 PRO CD C 7.552 1.630 -3.779 1.00 . A A . 27 PRO CD 1 1 19 10865 1 1 27 PRO CG C 7.148 2.886 -4.510 1.00 . A A . 27 PRO CG 1 1 19 10866 1 1 27 PRO HA H 5.163 2.864 -1.894 1.00 . A A . 27 PRO HA 1 1 19 10867 1 1 27 PRO HB2 H 5.504 4.216 -4.182 1.00 . A A . 27 PRO HB2 1 1 19 10868 1 1 27 PRO HB3 H 6.726 4.227 -2.915 1.00 . A A . 27 PRO HB3 1 1 19 10869 1 1 27 PRO HD2 H 7.572 0.789 -4.457 1.00 . A A . 27 PRO HD2 1 1 19 10870 1 1 27 PRO HD3 H 8.518 1.769 -3.318 1.00 . A A . 27 PRO HD3 1 1 19 10871 1 1 27 PRO HG2 H 6.658 2.636 -5.439 1.00 . A A . 27 PRO HG2 1 1 19 10872 1 1 27 PRO HG3 H 8.014 3.503 -4.698 1.00 . A A . 27 PRO HG3 1 1 19 10873 1 1 27 PRO N N 6.498 1.459 -2.757 1.00 . A A . 27 PRO N 1 1 19 10874 1 1 27 PRO O O 3.447 2.877 -4.102 1.00 . A A . 27 PRO O 1 1 19 10875 1 1 28 ASN C C 1.691 0.200 -3.632 1.00 . A A . 28 ASN C 1 1 19 10876 1 1 28 ASN CA C 2.921 0.207 -4.529 1.00 . A A . 28 ASN CA 1 1 19 10877 1 1 28 ASN CB C 3.206 -1.213 -5.029 1.00 . A A . 28 ASN CB 1 1 19 10878 1 1 28 ASN CG C 4.399 -1.286 -5.965 1.00 . A A . 28 ASN CG 1 1 19 10879 1 1 28 ASN H H 4.709 0.114 -3.435 1.00 . A A . 28 ASN H 1 1 19 10880 1 1 28 ASN HA H 2.730 0.841 -5.390 1.00 . A A . 28 ASN HA 1 1 19 10881 1 1 28 ASN HB2 H 3.407 -1.847 -4.178 1.00 . A A . 28 ASN HB2 1 1 19 10882 1 1 28 ASN HB3 H 2.341 -1.586 -5.557 1.00 . A A . 28 ASN HB3 1 1 19 10883 1 1 28 ASN HD21 H 4.827 -3.136 -5.345 1.00 . A A . 28 ASN HD21 1 1 19 10884 1 1 28 ASN HD22 H 5.873 -2.472 -6.548 1.00 . A A . 28 ASN HD22 1 1 19 10885 1 1 28 ASN N N 4.069 0.745 -3.806 1.00 . A A . 28 ASN N 1 1 19 10886 1 1 28 ASN ND2 N 5.100 -2.409 -5.949 1.00 . A A . 28 ASN ND2 1 1 19 10887 1 1 28 ASN O O 1.532 -0.685 -2.783 1.00 . A A . 28 ASN O 1 1 19 10888 1 1 28 ASN OD1 O 4.685 -0.341 -6.701 1.00 . A A . 28 ASN OD1 1 1 19 10889 1 1 29 ALA C C -1.562 1.780 -3.804 1.00 . A A . 29 ALA C 1 1 19 10890 1 1 29 ALA CA C -0.361 1.323 -2.986 1.00 . A A . 29 ALA CA 1 1 19 10891 1 1 29 ALA CB C -0.094 2.308 -1.860 1.00 . A A . 29 ALA CB 1 1 19 10892 1 1 29 ALA H H 1.004 1.870 -4.503 1.00 . A A . 29 ALA H 1 1 19 10893 1 1 29 ALA HA H -0.597 0.364 -2.538 1.00 . A A . 29 ALA HA 1 1 19 10894 1 1 29 ALA HB1 H 0.833 2.054 -1.385 1.00 . A A . 29 ALA HB1 1 1 19 10895 1 1 29 ALA HB2 H -0.897 2.260 -1.142 1.00 . A A . 29 ALA HB2 1 1 19 10896 1 1 29 ALA HB3 H -0.028 3.309 -2.254 1.00 . A A . 29 ALA HB3 1 1 19 10897 1 1 29 ALA N N 0.825 1.186 -3.815 1.00 . A A . 29 ALA N 1 1 19 10898 1 1 29 ALA O O -1.411 2.399 -4.857 1.00 . A A . 29 ALA O 1 1 19 10899 1 1 30 LYS C C -5.040 2.001 -2.813 1.00 . A A . 30 LYS C 1 1 19 10900 1 1 30 LYS CA C -3.992 1.916 -3.909 1.00 . A A . 30 LYS CA 1 1 19 10901 1 1 30 LYS CB C -4.467 0.969 -5.015 1.00 . A A . 30 LYS CB 1 1 19 10902 1 1 30 LYS CD C -6.038 0.607 -6.954 1.00 . A A . 30 LYS CD 1 1 19 10903 1 1 30 LYS CE C -7.129 -0.264 -6.355 1.00 . A A . 30 LYS CE 1 1 19 10904 1 1 30 LYS CG C -5.486 1.604 -5.950 1.00 . A A . 30 LYS CG 1 1 19 10905 1 1 30 LYS H H -2.788 0.934 -2.474 1.00 . A A . 30 LYS H 1 1 19 10906 1 1 30 LYS HA H -3.835 2.903 -4.315 1.00 . A A . 30 LYS HA 1 1 19 10907 1 1 30 LYS HB2 H -3.615 0.687 -5.608 1.00 . A A . 30 LYS HB2 1 1 19 10908 1 1 30 LYS HB3 H -4.901 0.079 -4.575 1.00 . A A . 30 LYS HB3 1 1 19 10909 1 1 30 LYS HD2 H -6.457 1.155 -7.785 1.00 . A A . 30 LYS HD2 1 1 19 10910 1 1 30 LYS HD3 H -5.238 -0.028 -7.315 1.00 . A A . 30 LYS HD3 1 1 19 10911 1 1 30 LYS HE2 H -7.396 -1.024 -7.074 1.00 . A A . 30 LYS HE2 1 1 19 10912 1 1 30 LYS HE3 H -6.754 -0.738 -5.458 1.00 . A A . 30 LYS HE3 1 1 19 10913 1 1 30 LYS HG2 H -6.297 2.012 -5.376 1.00 . A A . 30 LYS HG2 1 1 19 10914 1 1 30 LYS HG3 H -5.000 2.403 -6.491 1.00 . A A . 30 LYS HG3 1 1 19 10915 1 1 30 LYS HZ1 H -8.177 1.111 -5.176 1.00 . A A . 30 LYS HZ1 1 1 19 10916 1 1 30 LYS HZ2 H -9.138 -0.121 -5.812 1.00 . A A . 30 LYS HZ2 1 1 19 10917 1 1 30 LYS HZ3 H -8.622 1.142 -6.810 1.00 . A A . 30 LYS HZ3 1 1 19 10918 1 1 30 LYS N N -2.747 1.451 -3.316 1.00 . A A . 30 LYS N 1 1 19 10919 1 1 30 LYS NZ N -8.348 0.524 -6.016 1.00 . A A . 30 LYS NZ 1 1 19 10920 1 1 30 LYS O O -4.922 1.330 -1.792 1.00 . A A . 30 LYS O 1 1 19 10921 1 1 31 CYS C C -8.266 2.090 -2.239 1.00 . A A . 31 CYS C 1 1 19 10922 1 1 31 CYS CA C -7.062 2.985 -1.979 1.00 . A A . 31 CYS CA 1 1 19 10923 1 1 31 CYS CB C -7.511 4.443 -1.905 1.00 . A A . 31 CYS CB 1 1 19 10924 1 1 31 CYS H H -6.113 3.347 -3.835 1.00 . A A . 31 CYS H 1 1 19 10925 1 1 31 CYS HA H -6.637 2.722 -1.023 1.00 . A A . 31 CYS HA 1 1 19 10926 1 1 31 CYS HB2 H -8.058 4.569 -0.988 1.00 . A A . 31 CYS HB2 1 1 19 10927 1 1 31 CYS HB3 H -6.639 5.082 -1.886 1.00 . A A . 31 CYS HB3 1 1 19 10928 1 1 31 CYS N N -6.054 2.817 -3.006 1.00 . A A . 31 CYS N 1 1 19 10929 1 1 31 CYS O O -8.595 1.785 -3.388 1.00 . A A . 31 CYS O 1 1 19 10930 1 1 31 CYS SG S -8.565 4.974 -3.298 1.00 . A A . 31 CYS SG 1 1 19 10931 1 1 32 ILE C C -11.153 1.758 -0.343 1.00 . A A . 32 ILE C 1 1 19 10932 1 1 32 ILE CA C -10.176 0.983 -1.215 1.00 . A A . 32 ILE CA 1 1 19 10933 1 1 32 ILE CB C -10.104 -0.486 -0.736 1.00 . A A . 32 ILE CB 1 1 19 10934 1 1 32 ILE CD1 C -9.528 -1.973 1.261 1.00 . A A . 32 ILE CD1 1 1 19 10935 1 1 32 ILE CG1 C -9.527 -0.572 0.683 1.00 . A A . 32 ILE CG1 1 1 19 10936 1 1 32 ILE CG2 C -9.276 -1.318 -1.708 1.00 . A A . 32 ILE CG2 1 1 19 10937 1 1 32 ILE H H -8.545 1.913 -0.274 1.00 . A A . 32 ILE H 1 1 19 10938 1 1 32 ILE HA H -10.551 0.997 -2.235 1.00 . A A . 32 ILE HA 1 1 19 10939 1 1 32 ILE HB H -11.107 -0.893 -0.734 1.00 . A A . 32 ILE HB 1 1 19 10940 1 1 32 ILE HD11 H -8.828 -2.589 0.717 1.00 . A A . 32 ILE HD11 1 1 19 10941 1 1 32 ILE HD12 H -10.519 -2.398 1.183 1.00 . A A . 32 ILE HD12 1 1 19 10942 1 1 32 ILE HD13 H -9.237 -1.932 2.300 1.00 . A A . 32 ILE HD13 1 1 19 10943 1 1 32 ILE HG12 H -8.507 -0.222 0.676 1.00 . A A . 32 ILE HG12 1 1 19 10944 1 1 32 ILE HG13 H -10.107 0.046 1.349 1.00 . A A . 32 ILE HG13 1 1 19 10945 1 1 32 ILE HG21 H -9.681 -1.220 -2.706 1.00 . A A . 32 ILE HG21 1 1 19 10946 1 1 32 ILE HG22 H -9.305 -2.357 -1.417 1.00 . A A . 32 ILE HG22 1 1 19 10947 1 1 32 ILE HG23 H -8.252 -0.971 -1.703 1.00 . A A . 32 ILE HG23 1 1 19 10948 1 1 32 ILE N N -8.890 1.652 -1.159 1.00 . A A . 32 ILE N 1 1 19 10949 1 1 32 ILE O O -10.724 2.589 0.466 1.00 . A A . 32 ILE O 1 1 19 10950 1 1 33 ASN C C -13.554 2.075 1.662 1.00 . A A . 33 ASN C 1 1 19 10951 1 1 33 ASN CA C -13.508 2.269 0.140 1.00 . A A . 33 ASN CA 1 1 19 10952 1 1 33 ASN CB C -14.875 1.948 -0.489 1.00 . A A . 33 ASN CB 1 1 19 10953 1 1 33 ASN CG C -15.264 0.478 -0.407 1.00 . A A . 33 ASN CG 1 1 19 10954 1 1 33 ASN H H -12.699 0.798 -1.164 1.00 . A A . 33 ASN H 1 1 19 10955 1 1 33 ASN HA H -13.295 3.314 -0.051 1.00 . A A . 33 ASN HA 1 1 19 10956 1 1 33 ASN HB2 H -15.638 2.534 0.006 1.00 . A A . 33 ASN HB2 1 1 19 10957 1 1 33 ASN HB3 H -14.847 2.230 -1.532 1.00 . A A . 33 ASN HB3 1 1 19 10958 1 1 33 ASN HD21 H -17.196 0.973 -0.314 1.00 . A A . 33 ASN HD21 1 1 19 10959 1 1 33 ASN HD22 H -16.836 -0.716 -0.267 1.00 . A A . 33 ASN HD22 1 1 19 10960 1 1 33 ASN N N -12.446 1.483 -0.501 1.00 . A A . 33 ASN N 1 1 19 10961 1 1 33 ASN ND2 N -16.559 0.223 -0.321 1.00 . A A . 33 ASN ND2 1 1 19 10962 1 1 33 ASN O O -14.562 1.642 2.225 1.00 . A A . 33 ASN O 1 1 19 10963 1 1 33 ASN OD1 O -14.417 -0.416 -0.426 1.00 . A A . 33 ASN OD1 1 1 19 10964 1 1 34 LYS C C -10.893 2.835 4.126 1.00 . A A . 34 LYS C 1 1 19 10965 1 1 34 LYS CA C -12.309 2.421 3.747 1.00 . A A . 34 LYS CA 1 1 19 10966 1 1 34 LYS CB C -12.589 1.041 4.352 1.00 . A A . 34 LYS CB 1 1 19 10967 1 1 34 LYS CD C -12.313 -0.390 6.420 1.00 . A A . 34 LYS CD 1 1 19 10968 1 1 34 LYS CE C -11.906 -0.355 7.884 1.00 . A A . 34 LYS CE 1 1 19 10969 1 1 34 LYS CG C -12.404 1.018 5.862 1.00 . A A . 34 LYS CG 1 1 19 10970 1 1 34 LYS H H -11.725 2.817 1.782 1.00 . A A . 34 LYS H 1 1 19 10971 1 1 34 LYS HA H -13.004 3.137 4.160 1.00 . A A . 34 LYS HA 1 1 19 10972 1 1 34 LYS HB2 H -13.606 0.757 4.137 1.00 . A A . 34 LYS HB2 1 1 19 10973 1 1 34 LYS HB3 H -11.917 0.319 3.906 1.00 . A A . 34 LYS HB3 1 1 19 10974 1 1 34 LYS HD2 H -13.277 -0.869 6.332 1.00 . A A . 34 LYS HD2 1 1 19 10975 1 1 34 LYS HD3 H -11.574 -0.951 5.865 1.00 . A A . 34 LYS HD3 1 1 19 10976 1 1 34 LYS HE2 H -10.979 0.194 7.980 1.00 . A A . 34 LYS HE2 1 1 19 10977 1 1 34 LYS HE3 H -12.679 0.148 8.448 1.00 . A A . 34 LYS HE3 1 1 19 10978 1 1 34 LYS HG2 H -11.500 1.541 6.132 1.00 . A A . 34 LYS HG2 1 1 19 10979 1 1 34 LYS HG3 H -13.249 1.514 6.317 1.00 . A A . 34 LYS HG3 1 1 19 10980 1 1 34 LYS HZ1 H -10.959 -2.215 7.930 1.00 . A A . 34 LYS HZ1 1 1 19 10981 1 1 34 LYS HZ2 H -12.590 -2.263 8.384 1.00 . A A . 34 LYS HZ2 1 1 19 10982 1 1 34 LYS HZ3 H -11.433 -1.643 9.449 1.00 . A A . 34 LYS HZ3 1 1 19 10983 1 1 34 LYS N N -12.453 2.438 2.305 1.00 . A A . 34 LYS N 1 1 19 10984 1 1 34 LYS NZ N -11.709 -1.712 8.449 1.00 . A A . 34 LYS NZ 1 1 19 10985 1 1 34 LYS O O -10.686 3.585 5.081 1.00 . A A . 34 LYS O 1 1 19 10986 1 1 35 SER C C -7.596 2.320 2.530 1.00 . A A . 35 SER C 1 1 19 10987 1 1 35 SER CA C -8.518 2.510 3.732 1.00 . A A . 35 SER CA 1 1 19 10988 1 1 35 SER CB C -8.175 1.495 4.830 1.00 . A A . 35 SER CB 1 1 19 10989 1 1 35 SER H H -10.134 1.776 2.598 1.00 . A A . 35 SER H 1 1 19 10990 1 1 35 SER HA H -8.368 3.509 4.121 1.00 . A A . 35 SER HA 1 1 19 10991 1 1 35 SER HB2 H -7.115 1.511 5.039 1.00 . A A . 35 SER HB2 1 1 19 10992 1 1 35 SER HB3 H -8.716 1.753 5.729 1.00 . A A . 35 SER HB3 1 1 19 10993 1 1 35 SER HG H -9.490 0.058 4.575 1.00 . A A . 35 SER HG 1 1 19 10994 1 1 35 SER N N -9.917 2.363 3.355 1.00 . A A . 35 SER N 1 1 19 10995 1 1 35 SER O O -8.049 2.081 1.416 1.00 . A A . 35 SER O 1 1 19 10996 1 1 35 SER OG O -8.546 0.181 4.442 1.00 . A A . 35 SER OG 1 1 19 10997 1 1 36 CYS C C -4.840 0.757 1.794 1.00 . A A . 36 CYS C 1 1 19 10998 1 1 36 CYS CA C -5.310 2.202 1.729 1.00 . A A . 36 CYS CA 1 1 19 10999 1 1 36 CYS CB C -4.119 3.136 1.908 1.00 . A A . 36 CYS CB 1 1 19 11000 1 1 36 CYS H H -5.991 2.674 3.670 1.00 . A A . 36 CYS H 1 1 19 11001 1 1 36 CYS HA H -5.748 2.391 0.762 1.00 . A A . 36 CYS HA 1 1 19 11002 1 1 36 CYS HB2 H -3.626 2.904 2.846 1.00 . A A . 36 CYS HB2 1 1 19 11003 1 1 36 CYS HB3 H -3.437 2.964 1.106 1.00 . A A . 36 CYS HB3 1 1 19 11004 1 1 36 CYS N N -6.303 2.458 2.760 1.00 . A A . 36 CYS N 1 1 19 11005 1 1 36 CYS O O -4.592 0.231 2.879 1.00 . A A . 36 CYS O 1 1 19 11006 1 1 36 CYS SG S -4.566 4.897 1.957 1.00 . A A . 36 CYS SG 1 1 19 11007 1 1 37 LYS C C -2.822 -1.213 -0.100 1.00 . A A . 37 LYS C 1 1 19 11008 1 1 37 LYS CA C -4.179 -1.232 0.588 1.00 . A A . 37 LYS CA 1 1 19 11009 1 1 37 LYS CB C -5.130 -2.193 -0.137 1.00 . A A . 37 LYS CB 1 1 19 11010 1 1 37 LYS CD C -6.021 -3.036 -2.329 1.00 . A A . 37 LYS CD 1 1 19 11011 1 1 37 LYS CE C -5.227 -4.329 -2.220 1.00 . A A . 37 LYS CE 1 1 19 11012 1 1 37 LYS CG C -5.320 -1.893 -1.615 1.00 . A A . 37 LYS CG 1 1 19 11013 1 1 37 LYS H H -4.931 0.573 -0.199 1.00 . A A . 37 LYS H 1 1 19 11014 1 1 37 LYS HA H -4.041 -1.599 1.600 1.00 . A A . 37 LYS HA 1 1 19 11015 1 1 37 LYS HB2 H -4.735 -3.183 -0.011 1.00 . A A . 37 LYS HB2 1 1 19 11016 1 1 37 LYS HB3 H -6.097 -2.145 0.344 1.00 . A A . 37 LYS HB3 1 1 19 11017 1 1 37 LYS HD2 H -6.996 -3.185 -1.888 1.00 . A A . 37 LYS HD2 1 1 19 11018 1 1 37 LYS HD3 H -6.132 -2.780 -3.373 1.00 . A A . 37 LYS HD3 1 1 19 11019 1 1 37 LYS HE2 H -4.228 -4.167 -2.598 1.00 . A A . 37 LYS HE2 1 1 19 11020 1 1 37 LYS HE3 H -5.175 -4.634 -1.188 1.00 . A A . 37 LYS HE3 1 1 19 11021 1 1 37 LYS HG2 H -5.922 -1.004 -1.715 1.00 . A A . 37 LYS HG2 1 1 19 11022 1 1 37 LYS HG3 H -4.365 -1.732 -2.089 1.00 . A A . 37 LYS HG3 1 1 19 11023 1 1 37 LYS HZ1 H -5.910 -5.183 -4.001 1.00 . A A . 37 LYS HZ1 1 1 19 11024 1 1 37 LYS HZ2 H -6.814 -5.623 -2.637 1.00 . A A . 37 LYS HZ2 1 1 19 11025 1 1 37 LYS HZ3 H -5.286 -6.299 -2.893 1.00 . A A . 37 LYS HZ3 1 1 19 11026 1 1 37 LYS N N -4.719 0.115 0.643 1.00 . A A . 37 LYS N 1 1 19 11027 1 1 37 LYS NZ N -5.853 -5.433 -2.991 1.00 . A A . 37 LYS NZ 1 1 19 11028 1 1 37 LYS O O -2.598 -0.447 -1.044 1.00 . A A . 37 LYS O 1 1 19 11029 1 1 38 CYS C C -0.440 -3.360 -1.022 1.00 . A A . 38 CYS C 1 1 19 11030 1 1 38 CYS CA C -0.578 -2.114 -0.159 1.00 . A A . 38 CYS CA 1 1 19 11031 1 1 38 CYS CB C 0.433 -2.151 0.988 1.00 . A A . 38 CYS CB 1 1 19 11032 1 1 38 CYS H H -2.157 -2.635 1.135 1.00 . A A . 38 CYS H 1 1 19 11033 1 1 38 CYS HA H -0.383 -1.239 -0.768 1.00 . A A . 38 CYS HA 1 1 19 11034 1 1 38 CYS HB2 H 0.384 -3.112 1.484 1.00 . A A . 38 CYS HB2 1 1 19 11035 1 1 38 CYS HB3 H 1.426 -2.009 0.587 1.00 . A A . 38 CYS HB3 1 1 19 11036 1 1 38 CYS N N -1.921 -2.047 0.378 1.00 . A A . 38 CYS N 1 1 19 11037 1 1 38 CYS O O -1.036 -4.396 -0.727 1.00 . A A . 38 CYS O 1 1 19 11038 1 1 38 CYS SG S 0.160 -0.871 2.261 1.00 . A A . 38 CYS SG 1 1 19 11039 1 1 39 TYR C C 1.551 -5.340 -2.436 1.00 . A A . 39 TYR C 1 1 19 11040 1 1 39 TYR CA C 0.530 -4.373 -3.016 1.00 . A A . 39 TYR CA 1 1 19 11041 1 1 39 TYR CB C 1.023 -3.884 -4.384 1.00 . A A . 39 TYR CB 1 1 19 11042 1 1 39 TYR CD1 C -0.873 -2.197 -4.520 1.00 . A A . 39 TYR CD1 1 1 19 11043 1 1 39 TYR CD2 C 0.079 -2.998 -6.549 1.00 . A A . 39 TYR CD2 1 1 19 11044 1 1 39 TYR CE1 C -1.741 -1.399 -5.235 1.00 . A A . 39 TYR CE1 1 1 19 11045 1 1 39 TYR CE2 C -0.784 -2.197 -7.273 1.00 . A A . 39 TYR CE2 1 1 19 11046 1 1 39 TYR CG C 0.051 -3.012 -5.161 1.00 . A A . 39 TYR CG 1 1 19 11047 1 1 39 TYR CZ C -1.694 -1.400 -6.611 1.00 . A A . 39 TYR CZ 1 1 19 11048 1 1 39 TYR H H 0.781 -2.391 -2.287 1.00 . A A . 39 TYR H 1 1 19 11049 1 1 39 TYR HA H -0.413 -4.891 -3.146 1.00 . A A . 39 TYR HA 1 1 19 11050 1 1 39 TYR HB2 H 1.919 -3.322 -4.238 1.00 . A A . 39 TYR HB2 1 1 19 11051 1 1 39 TYR HB3 H 1.254 -4.749 -4.998 1.00 . A A . 39 TYR HB3 1 1 19 11052 1 1 39 TYR HD1 H -0.933 -2.177 -3.457 1.00 . A A . 39 TYR HD1 1 1 19 11053 1 1 39 TYR HD2 H 0.790 -3.624 -7.071 1.00 . A A . 39 TYR HD2 1 1 19 11054 1 1 39 TYR HE1 H -2.446 -0.783 -4.711 1.00 . A A . 39 TYR HE1 1 1 19 11055 1 1 39 TYR HE2 H -0.746 -2.201 -8.352 1.00 . A A . 39 TYR HE2 1 1 19 11056 1 1 39 TYR HH H -2.164 0.276 -7.434 1.00 . A A . 39 TYR HH 1 1 19 11057 1 1 39 TYR N N 0.331 -3.251 -2.099 1.00 . A A . 39 TYR N 1 1 19 11058 1 1 39 TYR O O 1.640 -6.499 -2.842 1.00 . A A . 39 TYR O 1 1 19 11059 1 1 39 TYR OH O -2.554 -0.595 -7.327 1.00 . A A . 39 TYR OH 1 1 19 11060 1 1 40 GLY C C 4.731 -5.144 -1.278 1.00 . A A . 40 GLY C 1 1 19 11061 1 1 40 GLY CA C 3.359 -5.637 -0.876 1.00 . A A . 40 GLY CA 1 1 19 11062 1 1 40 GLY H H 2.226 -3.915 -1.196 1.00 . A A . 40 GLY H 1 1 19 11063 1 1 40 GLY HA2 H 3.266 -5.557 0.197 1.00 . A A . 40 GLY HA2 1 1 19 11064 1 1 40 GLY HA3 H 3.266 -6.680 -1.153 1.00 . A A . 40 GLY HA3 1 1 19 11065 1 1 40 GLY N N 2.320 -4.845 -1.485 1.00 . A A . 40 GLY N 1 1 19 11066 1 1 40 GLY O O 4.864 -4.031 -1.792 1.00 . A A . 40 GLY O 1 1 19 11067 1 1 41 CYS C C 8.022 -6.814 -1.231 1.00 . A A . 41 CYS C 1 1 19 11068 1 1 41 CYS CA C 7.114 -5.601 -1.389 1.00 . A A . 41 CYS CA 1 1 19 11069 1 1 41 CYS CB C 7.600 -4.450 -0.503 1.00 . A A . 41 CYS CB 1 1 19 11070 1 1 41 CYS H H 5.569 -6.844 -0.638 1.00 . A A . 41 CYS H 1 1 19 11071 1 1 41 CYS HA H 7.136 -5.289 -2.426 1.00 . A A . 41 CYS HA 1 1 19 11072 1 1 41 CYS HB2 H 6.872 -3.665 -0.504 1.00 . A A . 41 CYS HB2 1 1 19 11073 1 1 41 CYS HB3 H 7.721 -4.807 0.511 1.00 . A A . 41 CYS HB3 1 1 19 11074 1 1 41 CYS N N 5.745 -5.964 -1.052 1.00 . A A . 41 CYS N 1 1 19 11075 1 1 41 CYS O O 8.677 -6.945 -0.178 1.00 . A A . 41 CYS O 1 1 19 11076 1 1 41 CYS OXT O 8.054 -7.651 -2.152 1.00 . A A . 41 CYS OXT 1 1 19 11077 1 1 41 CYS SG S 9.191 -3.720 -1.013 1.00 . A A . 41 CYS SG 1 1 20 11078 1 1 1 TRP C C 3.927 5.600 12.761 1.00 . A A . 1 TRP C 1 1 20 11079 1 1 1 TRP CA C 4.348 4.511 13.743 1.00 . A A . 1 TRP CA 1 1 20 11080 1 1 1 TRP CB C 4.163 3.120 13.113 1.00 . A A . 1 TRP CB 1 1 20 11081 1 1 1 TRP CD1 C 5.048 3.255 10.702 1.00 . A A . 1 TRP CD1 1 1 20 11082 1 1 1 TRP CD2 C 6.270 1.966 12.062 1.00 . A A . 1 TRP CD2 1 1 20 11083 1 1 1 TRP CE2 C 6.856 1.950 10.783 1.00 . A A . 1 TRP CE2 1 1 20 11084 1 1 1 TRP CE3 C 6.865 1.225 13.086 1.00 . A A . 1 TRP CE3 1 1 20 11085 1 1 1 TRP CG C 5.116 2.810 11.993 1.00 . A A . 1 TRP CG 1 1 20 11086 1 1 1 TRP CH2 C 8.571 0.507 11.523 1.00 . A A . 1 TRP CH2 1 1 20 11087 1 1 1 TRP CZ2 C 8.009 1.223 10.502 1.00 . A A . 1 TRP CZ2 1 1 20 11088 1 1 1 TRP CZ3 C 8.009 0.503 12.805 1.00 . A A . 1 TRP CZ3 1 1 20 11089 1 1 1 TRP H1 H 3.860 3.875 15.634 1.00 . A A . 1 TRP H1 1 1 20 11090 1 1 1 TRP H2 H 2.532 4.483 14.728 1.00 . A A . 1 TRP H2 1 1 20 11091 1 1 1 TRP H3 H 3.699 5.560 15.387 1.00 . A A . 1 TRP H3 1 1 20 11092 1 1 1 TRP HA H 5.387 4.655 14.004 1.00 . A A . 1 TRP HA 1 1 20 11093 1 1 1 TRP HB2 H 4.331 2.384 13.887 1.00 . A A . 1 TRP HB2 1 1 20 11094 1 1 1 TRP HB3 H 3.159 2.992 12.750 1.00 . A A . 1 TRP HB3 1 1 20 11095 1 1 1 TRP HD1 H 4.281 3.914 10.325 1.00 . A A . 1 TRP HD1 1 1 20 11096 1 1 1 TRP HE1 H 6.262 2.920 9.022 1.00 . A A . 1 TRP HE1 1 1 20 11097 1 1 1 TRP HE3 H 6.446 1.210 14.081 1.00 . A A . 1 TRP HE3 1 1 20 11098 1 1 1 TRP HH2 H 9.465 -0.073 11.349 1.00 . A A . 1 TRP HH2 1 1 20 11099 1 1 1 TRP HZ2 H 8.455 1.216 9.518 1.00 . A A . 1 TRP HZ2 1 1 20 11100 1 1 1 TRP HZ3 H 8.483 -0.076 13.584 1.00 . A A . 1 TRP HZ3 1 1 20 11101 1 1 1 TRP N N 3.539 4.616 14.975 1.00 . A A . 1 TRP N 1 1 20 11102 1 1 1 TRP NE1 N 6.092 2.744 9.971 1.00 . A A . 1 TRP NE1 1 1 20 11103 1 1 1 TRP O O 4.539 6.667 12.694 1.00 . A A . 1 TRP O 1 1 20 11104 1 1 2 CYS C C 1.177 7.054 11.784 1.00 . A A . 2 CYS C 1 1 20 11105 1 1 2 CYS CA C 2.306 6.295 11.094 1.00 . A A . 2 CYS CA 1 1 20 11106 1 1 2 CYS CB C 1.796 5.585 9.840 1.00 . A A . 2 CYS CB 1 1 20 11107 1 1 2 CYS H H 2.424 4.477 12.118 1.00 . A A . 2 CYS H 1 1 20 11108 1 1 2 CYS HA H 3.079 6.997 10.796 1.00 . A A . 2 CYS HA 1 1 20 11109 1 1 2 CYS HB2 H 1.228 6.291 9.264 1.00 . A A . 2 CYS HB2 1 1 20 11110 1 1 2 CYS HB3 H 2.645 5.258 9.255 1.00 . A A . 2 CYS HB3 1 1 20 11111 1 1 2 CYS N N 2.881 5.323 12.003 1.00 . A A . 2 CYS N 1 1 20 11112 1 1 2 CYS O O 0.259 6.446 12.336 1.00 . A A . 2 CYS O 1 1 20 11113 1 1 2 CYS SG S 0.768 4.121 10.191 1.00 . A A . 2 CYS SG 1 1 20 11114 1 1 3 SER C C -0.962 9.272 11.376 1.00 . A A . 3 SER C 1 1 20 11115 1 1 3 SER CA C 0.201 9.194 12.357 1.00 . A A . 3 SER CA 1 1 20 11116 1 1 3 SER CB C 0.735 10.590 12.667 1.00 . A A . 3 SER CB 1 1 20 11117 1 1 3 SER H H 2.031 8.814 11.354 1.00 . A A . 3 SER H 1 1 20 11118 1 1 3 SER HA H -0.143 8.736 13.277 1.00 . A A . 3 SER HA 1 1 20 11119 1 1 3 SER HB2 H 0.852 11.153 11.749 1.00 . A A . 3 SER HB2 1 1 20 11120 1 1 3 SER HB3 H 0.043 11.103 13.319 1.00 . A A . 3 SER HB3 1 1 20 11121 1 1 3 SER HG H 1.876 10.334 14.245 1.00 . A A . 3 SER HG 1 1 20 11122 1 1 3 SER N N 1.261 8.374 11.789 1.00 . A A . 3 SER N 1 1 20 11123 1 1 3 SER O O -2.127 9.312 11.765 1.00 . A A . 3 SER O 1 1 20 11124 1 1 3 SER OG O 1.999 10.514 13.309 1.00 . A A . 3 SER OG 1 1 20 11125 1 1 4 THR C C -1.162 8.304 7.942 1.00 . A A . 4 THR C 1 1 20 11126 1 1 4 THR CA C -1.607 9.275 9.033 1.00 . A A . 4 THR CA 1 1 20 11127 1 1 4 THR CB C -1.795 10.688 8.442 1.00 . A A . 4 THR CB 1 1 20 11128 1 1 4 THR CG2 C -2.871 10.693 7.365 1.00 . A A . 4 THR CG2 1 1 20 11129 1 1 4 THR H H 0.329 9.262 9.845 1.00 . A A . 4 THR H 1 1 20 11130 1 1 4 THR HA H -2.552 8.943 9.435 1.00 . A A . 4 THR HA 1 1 20 11131 1 1 4 THR HB H -0.865 11.018 7.996 1.00 . A A . 4 THR HB 1 1 20 11132 1 1 4 THR HG1 H -1.905 12.499 9.229 1.00 . A A . 4 THR HG1 1 1 20 11133 1 1 4 THR HG21 H -2.465 11.135 6.466 1.00 . A A . 4 THR HG21 1 1 20 11134 1 1 4 THR HG22 H -3.712 11.285 7.697 1.00 . A A . 4 THR HG22 1 1 20 11135 1 1 4 THR HG23 H -3.214 9.694 7.143 1.00 . A A . 4 THR HG23 1 1 20 11136 1 1 4 THR N N -0.623 9.287 10.098 1.00 . A A . 4 THR N 1 1 20 11137 1 1 4 THR O O -0.246 8.597 7.174 1.00 . A A . 4 THR O 1 1 20 11138 1 1 4 THR OG1 O -2.154 11.607 9.484 1.00 . A A . 4 THR OG1 1 1 20 11139 1 1 5 CYS C C -2.613 5.383 6.368 1.00 . A A . 5 CYS C 1 1 20 11140 1 1 5 CYS CA C -1.397 6.106 6.938 1.00 . A A . 5 CYS CA 1 1 20 11141 1 1 5 CYS CB C -0.432 5.111 7.590 1.00 . A A . 5 CYS CB 1 1 20 11142 1 1 5 CYS H H -2.495 6.934 8.555 1.00 . A A . 5 CYS H 1 1 20 11143 1 1 5 CYS HA H -0.885 6.580 6.109 1.00 . A A . 5 CYS HA 1 1 20 11144 1 1 5 CYS HB2 H -0.317 4.247 6.945 1.00 . A A . 5 CYS HB2 1 1 20 11145 1 1 5 CYS HB3 H 0.514 5.585 7.690 1.00 . A A . 5 CYS HB3 1 1 20 11146 1 1 5 CYS N N -1.785 7.134 7.901 1.00 . A A . 5 CYS N 1 1 20 11147 1 1 5 CYS O O -2.857 5.414 5.165 1.00 . A A . 5 CYS O 1 1 20 11148 1 1 5 CYS SG S -0.972 4.507 9.222 1.00 . A A . 5 CYS SG 1 1 20 11149 1 1 6 LEU C C -5.756 5.054 6.827 1.00 . A A . 6 LEU C 1 1 20 11150 1 1 6 LEU CA C -4.598 4.068 6.795 1.00 . A A . 6 LEU CA 1 1 20 11151 1 1 6 LEU CB C -4.900 2.843 7.671 1.00 . A A . 6 LEU CB 1 1 20 11152 1 1 6 LEU CD1 C -5.899 1.829 9.726 1.00 . A A . 6 LEU CD1 1 1 20 11153 1 1 6 LEU CD2 C -4.309 3.734 9.961 1.00 . A A . 6 LEU CD2 1 1 20 11154 1 1 6 LEU CG C -5.402 3.118 9.094 1.00 . A A . 6 LEU CG 1 1 20 11155 1 1 6 LEU H H -3.167 4.766 8.153 1.00 . A A . 6 LEU H 1 1 20 11156 1 1 6 LEU HA H -4.466 3.730 5.772 1.00 . A A . 6 LEU HA 1 1 20 11157 1 1 6 LEU HB2 H -5.650 2.258 7.153 1.00 . A A . 6 LEU HB2 1 1 20 11158 1 1 6 LEU HB3 H -3.999 2.248 7.736 1.00 . A A . 6 LEU HB3 1 1 20 11159 1 1 6 LEU HD11 H -6.694 1.412 9.123 1.00 . A A . 6 LEU HD11 1 1 20 11160 1 1 6 LEU HD12 H -6.278 2.033 10.718 1.00 . A A . 6 LEU HD12 1 1 20 11161 1 1 6 LEU HD13 H -5.088 1.116 9.792 1.00 . A A . 6 LEU HD13 1 1 20 11162 1 1 6 LEU HD21 H -4.609 3.705 11.002 1.00 . A A . 6 LEU HD21 1 1 20 11163 1 1 6 LEU HD22 H -4.156 4.761 9.680 1.00 . A A . 6 LEU HD22 1 1 20 11164 1 1 6 LEU HD23 H -3.395 3.175 9.844 1.00 . A A . 6 LEU HD23 1 1 20 11165 1 1 6 LEU HG H -6.234 3.804 9.063 1.00 . A A . 6 LEU HG 1 1 20 11166 1 1 6 LEU N N -3.382 4.741 7.229 1.00 . A A . 6 LEU N 1 1 20 11167 1 1 6 LEU O O -6.905 4.706 6.564 1.00 . A A . 6 LEU O 1 1 20 11168 1 1 7 ASP C C -6.630 8.034 5.920 1.00 . A A . 7 ASP C 1 1 20 11169 1 1 7 ASP CA C -6.393 7.370 7.264 1.00 . A A . 7 ASP CA 1 1 20 11170 1 1 7 ASP CB C -5.894 8.415 8.268 1.00 . A A . 7 ASP CB 1 1 20 11171 1 1 7 ASP CG C -5.306 7.791 9.515 1.00 . A A . 7 ASP CG 1 1 20 11172 1 1 7 ASP H H -4.489 6.525 7.310 1.00 . A A . 7 ASP H 1 1 20 11173 1 1 7 ASP HA H -7.327 6.956 7.624 1.00 . A A . 7 ASP HA 1 1 20 11174 1 1 7 ASP HB2 H -5.129 9.025 7.811 1.00 . A A . 7 ASP HB2 1 1 20 11175 1 1 7 ASP HB3 H -6.722 9.045 8.560 1.00 . A A . 7 ASP HB3 1 1 20 11176 1 1 7 ASP N N -5.417 6.299 7.132 1.00 . A A . 7 ASP N 1 1 20 11177 1 1 7 ASP O O -7.453 8.941 5.789 1.00 . A A . 7 ASP O 1 1 20 11178 1 1 7 ASP OD1 O -4.153 7.308 9.455 1.00 . A A . 7 ASP OD1 1 1 20 11179 1 1 7 ASP OD2 O -5.987 7.786 10.563 1.00 . A A . 7 ASP OD2 1 1 20 11180 1 1 8 LEU C C -7.073 7.464 2.767 1.00 . A A . 8 LEU C 1 1 20 11181 1 1 8 LEU CA C -5.979 8.133 3.581 1.00 . A A . 8 LEU CA 1 1 20 11182 1 1 8 LEU CB C -4.641 7.982 2.845 1.00 . A A . 8 LEU CB 1 1 20 11183 1 1 8 LEU CD1 C -4.034 10.361 3.385 1.00 . A A . 8 LEU CD1 1 1 20 11184 1 1 8 LEU CD2 C -2.906 8.492 4.599 1.00 . A A . 8 LEU CD2 1 1 20 11185 1 1 8 LEU CG C -3.521 8.933 3.284 1.00 . A A . 8 LEU CG 1 1 20 11186 1 1 8 LEU H H -5.265 6.844 5.066 1.00 . A A . 8 LEU H 1 1 20 11187 1 1 8 LEU HA H -6.230 9.170 3.663 1.00 . A A . 8 LEU HA 1 1 20 11188 1 1 8 LEU HB2 H -4.299 6.963 2.964 1.00 . A A . 8 LEU HB2 1 1 20 11189 1 1 8 LEU HB3 H -4.801 8.157 1.787 1.00 . A A . 8 LEU HB3 1 1 20 11190 1 1 8 LEU HD11 H -3.202 11.017 3.605 1.00 . A A . 8 LEU HD11 1 1 20 11191 1 1 8 LEU HD12 H -4.762 10.449 4.176 1.00 . A A . 8 LEU HD12 1 1 20 11192 1 1 8 LEU HD13 H -4.467 10.659 2.461 1.00 . A A . 8 LEU HD13 1 1 20 11193 1 1 8 LEU HD21 H -3.658 8.450 5.368 1.00 . A A . 8 LEU HD21 1 1 20 11194 1 1 8 LEU HD22 H -2.137 9.195 4.892 1.00 . A A . 8 LEU HD22 1 1 20 11195 1 1 8 LEU HD23 H -2.461 7.524 4.473 1.00 . A A . 8 LEU HD23 1 1 20 11196 1 1 8 LEU HG H -2.742 8.919 2.534 1.00 . A A . 8 LEU HG 1 1 20 11197 1 1 8 LEU N N -5.905 7.567 4.921 1.00 . A A . 8 LEU N 1 1 20 11198 1 1 8 LEU O O -6.815 6.995 1.654 1.00 . A A . 8 LEU O 1 1 20 11199 1 1 9 ALA C C -9.686 7.319 1.292 1.00 . A A . 9 ALA C 1 1 20 11200 1 1 9 ALA CA C -9.440 6.790 2.701 1.00 . A A . 9 ALA CA 1 1 20 11201 1 1 9 ALA CB C -10.683 6.975 3.563 1.00 . A A . 9 ALA CB 1 1 20 11202 1 1 9 ALA H H -8.416 7.857 4.203 1.00 . A A . 9 ALA H 1 1 20 11203 1 1 9 ALA HA H -9.225 5.749 2.648 1.00 . A A . 9 ALA HA 1 1 20 11204 1 1 9 ALA HB1 H -10.490 6.595 4.555 1.00 . A A . 9 ALA HB1 1 1 20 11205 1 1 9 ALA HB2 H -11.512 6.434 3.128 1.00 . A A . 9 ALA HB2 1 1 20 11206 1 1 9 ALA HB3 H -10.930 8.026 3.624 1.00 . A A . 9 ALA HB3 1 1 20 11207 1 1 9 ALA N N -8.288 7.443 3.325 1.00 . A A . 9 ALA N 1 1 20 11208 1 1 9 ALA O O -10.526 8.193 1.080 1.00 . A A . 9 ALA O 1 1 20 11209 1 1 10 CYS C C -8.675 8.731 -1.107 1.00 . A A . 10 CYS C 1 1 20 11210 1 1 10 CYS CA C -8.954 7.237 -1.033 1.00 . A A . 10 CYS CA 1 1 20 11211 1 1 10 CYS CB C -10.266 6.861 -1.719 1.00 . A A . 10 CYS CB 1 1 20 11212 1 1 10 CYS H H -8.282 6.082 0.585 1.00 . A A . 10 CYS H 1 1 20 11213 1 1 10 CYS HA H -8.132 6.765 -1.523 1.00 . A A . 10 CYS HA 1 1 20 11214 1 1 10 CYS HB2 H -11.094 7.057 -1.055 1.00 . A A . 10 CYS HB2 1 1 20 11215 1 1 10 CYS HB3 H -10.390 7.440 -2.625 1.00 . A A . 10 CYS HB3 1 1 20 11216 1 1 10 CYS N N -8.936 6.776 0.343 1.00 . A A . 10 CYS N 1 1 20 11217 1 1 10 CYS O O -9.380 9.488 -1.778 1.00 . A A . 10 CYS O 1 1 20 11218 1 1 10 CYS SG S -10.329 5.102 -2.190 1.00 . A A . 10 CYS SG 1 1 20 11219 1 1 11 THR C C -6.173 10.644 -1.631 1.00 . A A . 11 THR C 1 1 20 11220 1 1 11 THR CA C -7.155 10.520 -0.470 1.00 . A A . 11 THR CA 1 1 20 11221 1 1 11 THR CB C -6.468 10.939 0.844 1.00 . A A . 11 THR CB 1 1 20 11222 1 1 11 THR CG2 C -6.200 12.439 0.878 1.00 . A A . 11 THR CG2 1 1 20 11223 1 1 11 THR H H -7.110 8.497 0.134 1.00 . A A . 11 THR H 1 1 20 11224 1 1 11 THR HA H -8.000 11.176 -0.654 1.00 . A A . 11 THR HA 1 1 20 11225 1 1 11 THR HB H -5.528 10.418 0.933 1.00 . A A . 11 THR HB 1 1 20 11226 1 1 11 THR HG1 H -6.912 10.892 2.780 1.00 . A A . 11 THR HG1 1 1 20 11227 1 1 11 THR HG21 H -7.111 12.980 0.662 1.00 . A A . 11 THR HG21 1 1 20 11228 1 1 11 THR HG22 H -5.450 12.690 0.145 1.00 . A A . 11 THR HG22 1 1 20 11229 1 1 11 THR HG23 H -5.845 12.715 1.860 1.00 . A A . 11 THR HG23 1 1 20 11230 1 1 11 THR N N -7.634 9.149 -0.391 1.00 . A A . 11 THR N 1 1 20 11231 1 1 11 THR O O -5.824 11.741 -2.075 1.00 . A A . 11 THR O 1 1 20 11232 1 1 11 THR OG1 O -7.300 10.581 1.956 1.00 . A A . 11 THR OG1 1 1 20 11233 1 1 12 GLY C C -3.832 8.316 -3.071 1.00 . A A . 12 GLY C 1 1 20 11234 1 1 12 GLY CA C -4.816 9.450 -3.224 1.00 . A A . 12 GLY CA 1 1 20 11235 1 1 12 GLY H H -6.056 8.644 -1.751 1.00 . A A . 12 GLY H 1 1 20 11236 1 1 12 GLY HA2 H -5.372 9.328 -4.142 1.00 . A A . 12 GLY HA2 1 1 20 11237 1 1 12 GLY HA3 H -4.257 10.378 -3.280 1.00 . A A . 12 GLY HA3 1 1 20 11238 1 1 12 GLY N N -5.747 9.494 -2.126 1.00 . A A . 12 GLY N 1 1 20 11239 1 1 12 GLY O O -3.151 8.213 -2.046 1.00 . A A . 12 GLY O 1 1 20 11240 1 1 13 SER C C -1.402 6.909 -3.906 1.00 . A A . 13 SER C 1 1 20 11241 1 1 13 SER CA C -2.815 6.353 -4.074 1.00 . A A . 13 SER CA 1 1 20 11242 1 1 13 SER CB C -2.913 5.570 -5.387 1.00 . A A . 13 SER CB 1 1 20 11243 1 1 13 SER H H -4.348 7.582 -4.862 1.00 . A A . 13 SER H 1 1 20 11244 1 1 13 SER HA H -3.044 5.698 -3.245 1.00 . A A . 13 SER HA 1 1 20 11245 1 1 13 SER HB2 H -2.378 6.094 -6.171 1.00 . A A . 13 SER HB2 1 1 20 11246 1 1 13 SER HB3 H -2.480 4.597 -5.255 1.00 . A A . 13 SER HB3 1 1 20 11247 1 1 13 SER HG H -4.482 6.070 -6.464 1.00 . A A . 13 SER HG 1 1 20 11248 1 1 13 SER N N -3.766 7.453 -4.075 1.00 . A A . 13 SER N 1 1 20 11249 1 1 13 SER O O -0.623 6.442 -3.070 1.00 . A A . 13 SER O 1 1 20 11250 1 1 13 SER OG O -4.265 5.415 -5.795 1.00 . A A . 13 SER OG 1 1 20 11251 1 1 14 LYS C C 0.495 9.200 -3.286 1.00 . A A . 14 LYS C 1 1 20 11252 1 1 14 LYS CA C 0.199 8.599 -4.656 1.00 . A A . 14 LYS CA 1 1 20 11253 1 1 14 LYS CB C 0.285 9.677 -5.744 1.00 . A A . 14 LYS CB 1 1 20 11254 1 1 14 LYS CD C -0.622 11.807 -6.728 1.00 . A A . 14 LYS CD 1 1 20 11255 1 1 14 LYS CE C -0.915 11.168 -8.075 1.00 . A A . 14 LYS CE 1 1 20 11256 1 1 14 LYS CG C -0.733 10.799 -5.595 1.00 . A A . 14 LYS CG 1 1 20 11257 1 1 14 LYS H H -1.792 8.296 -5.299 1.00 . A A . 14 LYS H 1 1 20 11258 1 1 14 LYS HA H 0.916 7.859 -4.854 1.00 . A A . 14 LYS HA 1 1 20 11259 1 1 14 LYS HB2 H 1.278 10.109 -5.732 1.00 . A A . 14 LYS HB2 1 1 20 11260 1 1 14 LYS HB3 H 0.131 9.187 -6.689 1.00 . A A . 14 LYS HB3 1 1 20 11261 1 1 14 LYS HD2 H -1.334 12.601 -6.558 1.00 . A A . 14 LYS HD2 1 1 20 11262 1 1 14 LYS HD3 H 0.379 12.217 -6.742 1.00 . A A . 14 LYS HD3 1 1 20 11263 1 1 14 LYS HE2 H -0.231 10.355 -8.250 1.00 . A A . 14 LYS HE2 1 1 20 11264 1 1 14 LYS HE3 H -1.928 10.794 -8.073 1.00 . A A . 14 LYS HE3 1 1 20 11265 1 1 14 LYS HG2 H -1.728 10.382 -5.593 1.00 . A A . 14 LYS HG2 1 1 20 11266 1 1 14 LYS HG3 H -0.557 11.310 -4.660 1.00 . A A . 14 LYS HG3 1 1 20 11267 1 1 14 LYS HZ1 H -1.423 12.934 -9.073 1.00 . A A . 14 LYS HZ1 1 1 20 11268 1 1 14 LYS HZ2 H -0.971 11.667 -10.098 1.00 . A A . 14 LYS HZ2 1 1 20 11269 1 1 14 LYS HZ3 H 0.210 12.504 -9.224 1.00 . A A . 14 LYS HZ3 1 1 20 11270 1 1 14 LYS N N -1.108 7.956 -4.678 1.00 . A A . 14 LYS N 1 1 20 11271 1 1 14 LYS NZ N -0.764 12.136 -9.193 1.00 . A A . 14 LYS NZ 1 1 20 11272 1 1 14 LYS O O 1.653 9.335 -2.899 1.00 . A A . 14 LYS O 1 1 20 11273 1 1 15 ASP C C -0.008 9.022 -0.237 1.00 . A A . 15 ASP C 1 1 20 11274 1 1 15 ASP CA C -0.384 10.117 -1.220 1.00 . A A . 15 ASP CA 1 1 20 11275 1 1 15 ASP CB C -1.665 10.806 -0.743 1.00 . A A . 15 ASP CB 1 1 20 11276 1 1 15 ASP CG C -1.403 11.745 0.420 1.00 . A A . 15 ASP CG 1 1 20 11277 1 1 15 ASP H H -1.457 9.424 -2.893 1.00 . A A . 15 ASP H 1 1 20 11278 1 1 15 ASP HA H 0.421 10.844 -1.260 1.00 . A A . 15 ASP HA 1 1 20 11279 1 1 15 ASP HB2 H -2.076 11.386 -1.557 1.00 . A A . 15 ASP HB2 1 1 20 11280 1 1 15 ASP HB3 H -2.394 10.067 -0.434 1.00 . A A . 15 ASP HB3 1 1 20 11281 1 1 15 ASP N N -0.552 9.547 -2.549 1.00 . A A . 15 ASP N 1 1 20 11282 1 1 15 ASP O O 0.896 9.181 0.584 1.00 . A A . 15 ASP O 1 1 20 11283 1 1 15 ASP OD1 O -1.078 12.924 0.168 1.00 . A A . 15 ASP OD1 1 1 20 11284 1 1 15 ASP OD2 O -1.511 11.313 1.584 1.00 . A A . 15 ASP OD2 1 1 20 11285 1 1 16 CYS C C 0.716 5.944 0.221 1.00 . A A . 16 CYS C 1 1 20 11286 1 1 16 CYS CA C -0.503 6.797 0.585 1.00 . A A . 16 CYS CA 1 1 20 11287 1 1 16 CYS CB C -1.766 5.935 0.655 1.00 . A A . 16 CYS CB 1 1 20 11288 1 1 16 CYS H H -1.395 7.815 -1.036 1.00 . A A . 16 CYS H 1 1 20 11289 1 1 16 CYS HA H -0.334 7.221 1.569 1.00 . A A . 16 CYS HA 1 1 20 11290 1 1 16 CYS HB2 H -2.612 6.573 0.870 1.00 . A A . 16 CYS HB2 1 1 20 11291 1 1 16 CYS HB3 H -1.919 5.458 -0.303 1.00 . A A . 16 CYS HB3 1 1 20 11292 1 1 16 CYS N N -0.694 7.896 -0.346 1.00 . A A . 16 CYS N 1 1 20 11293 1 1 16 CYS O O 1.116 5.074 0.998 1.00 . A A . 16 CYS O 1 1 20 11294 1 1 16 CYS SG S -1.711 4.645 1.937 1.00 . A A . 16 CYS SG 1 1 20 11295 1 1 17 TYR C C 3.566 5.536 -0.184 1.00 . A A . 17 TYR C 1 1 20 11296 1 1 17 TYR CA C 2.565 5.541 -1.337 1.00 . A A . 17 TYR CA 1 1 20 11297 1 1 17 TYR CB C 3.216 6.240 -2.535 1.00 . A A . 17 TYR CB 1 1 20 11298 1 1 17 TYR CD1 C 1.774 4.806 -4.051 1.00 . A A . 17 TYR CD1 1 1 20 11299 1 1 17 TYR CD2 C 2.924 6.667 -4.993 1.00 . A A . 17 TYR CD2 1 1 20 11300 1 1 17 TYR CE1 C 1.245 4.501 -5.292 1.00 . A A . 17 TYR CE1 1 1 20 11301 1 1 17 TYR CE2 C 2.402 6.371 -6.235 1.00 . A A . 17 TYR CE2 1 1 20 11302 1 1 17 TYR CG C 2.621 5.894 -3.883 1.00 . A A . 17 TYR CG 1 1 20 11303 1 1 17 TYR CZ C 1.562 5.289 -6.380 1.00 . A A . 17 TYR CZ 1 1 20 11304 1 1 17 TYR H H 0.949 6.889 -1.547 1.00 . A A . 17 TYR H 1 1 20 11305 1 1 17 TYR HA H 2.351 4.517 -1.574 1.00 . A A . 17 TYR HA 1 1 20 11306 1 1 17 TYR HB2 H 3.128 7.309 -2.400 1.00 . A A . 17 TYR HB2 1 1 20 11307 1 1 17 TYR HB3 H 4.269 5.983 -2.577 1.00 . A A . 17 TYR HB3 1 1 20 11308 1 1 17 TYR HD1 H 1.516 4.181 -3.217 1.00 . A A . 17 TYR HD1 1 1 20 11309 1 1 17 TYR HD2 H 3.582 7.518 -4.881 1.00 . A A . 17 TYR HD2 1 1 20 11310 1 1 17 TYR HE1 H 0.586 3.655 -5.406 1.00 . A A . 17 TYR HE1 1 1 20 11311 1 1 17 TYR HE2 H 2.652 6.987 -7.086 1.00 . A A . 17 TYR HE2 1 1 20 11312 1 1 17 TYR HH H 0.222 5.492 -7.746 1.00 . A A . 17 TYR HH 1 1 20 11313 1 1 17 TYR N N 1.306 6.194 -0.955 1.00 . A A . 17 TYR N 1 1 20 11314 1 1 17 TYR O O 4.069 4.483 0.203 1.00 . A A . 17 TYR O 1 1 20 11315 1 1 17 TYR OH O 1.036 4.998 -7.619 1.00 . A A . 17 TYR OH 1 1 20 11316 1 1 18 ALA C C 4.502 6.048 2.679 1.00 . A A . 18 ALA C 1 1 20 11317 1 1 18 ALA CA C 4.847 6.854 1.414 1.00 . A A . 18 ALA CA 1 1 20 11318 1 1 18 ALA CB C 5.074 8.324 1.738 1.00 . A A . 18 ALA CB 1 1 20 11319 1 1 18 ALA H H 3.383 7.519 0.026 1.00 . A A . 18 ALA H 1 1 20 11320 1 1 18 ALA HA H 5.778 6.468 1.015 1.00 . A A . 18 ALA HA 1 1 20 11321 1 1 18 ALA HB1 H 5.280 8.455 2.793 1.00 . A A . 18 ALA HB1 1 1 20 11322 1 1 18 ALA HB2 H 4.204 8.906 1.471 1.00 . A A . 18 ALA HB2 1 1 20 11323 1 1 18 ALA HB3 H 5.920 8.680 1.170 1.00 . A A . 18 ALA HB3 1 1 20 11324 1 1 18 ALA N N 3.834 6.712 0.373 1.00 . A A . 18 ALA N 1 1 20 11325 1 1 18 ALA O O 5.296 5.208 3.095 1.00 . A A . 18 ALA O 1 1 20 11326 1 1 19 PRO C C 2.950 4.008 4.294 1.00 . A A . 19 PRO C 1 1 20 11327 1 1 19 PRO CA C 2.917 5.521 4.511 1.00 . A A . 19 PRO CA 1 1 20 11328 1 1 19 PRO CB C 1.482 5.990 4.759 1.00 . A A . 19 PRO CB 1 1 20 11329 1 1 19 PRO CD C 2.318 7.297 2.953 1.00 . A A . 19 PRO CD 1 1 20 11330 1 1 19 PRO CG C 1.417 7.345 4.153 1.00 . A A . 19 PRO CG 1 1 20 11331 1 1 19 PRO HA H 3.531 5.772 5.363 1.00 . A A . 19 PRO HA 1 1 20 11332 1 1 19 PRO HB2 H 0.768 5.320 4.296 1.00 . A A . 19 PRO HB2 1 1 20 11333 1 1 19 PRO HB3 H 1.308 6.036 5.813 1.00 . A A . 19 PRO HB3 1 1 20 11334 1 1 19 PRO HD2 H 1.778 7.025 2.090 1.00 . A A . 19 PRO HD2 1 1 20 11335 1 1 19 PRO HD3 H 2.771 8.257 2.821 1.00 . A A . 19 PRO HD3 1 1 20 11336 1 1 19 PRO HG2 H 0.403 7.566 3.854 1.00 . A A . 19 PRO HG2 1 1 20 11337 1 1 19 PRO HG3 H 1.771 8.082 4.859 1.00 . A A . 19 PRO HG3 1 1 20 11338 1 1 19 PRO N N 3.325 6.277 3.316 1.00 . A A . 19 PRO N 1 1 20 11339 1 1 19 PRO O O 3.463 3.259 5.132 1.00 . A A . 19 PRO O 1 1 20 11340 1 1 20 CYS C C 3.820 1.621 2.716 1.00 . A A . 20 CYS C 1 1 20 11341 1 1 20 CYS CA C 2.395 2.147 2.833 1.00 . A A . 20 CYS CA 1 1 20 11342 1 1 20 CYS CB C 1.633 1.901 1.528 1.00 . A A . 20 CYS CB 1 1 20 11343 1 1 20 CYS H H 2.010 4.210 2.532 1.00 . A A . 20 CYS H 1 1 20 11344 1 1 20 CYS HA H 1.895 1.617 3.633 1.00 . A A . 20 CYS HA 1 1 20 11345 1 1 20 CYS HB2 H 0.588 2.123 1.682 1.00 . A A . 20 CYS HB2 1 1 20 11346 1 1 20 CYS HB3 H 2.024 2.557 0.764 1.00 . A A . 20 CYS HB3 1 1 20 11347 1 1 20 CYS N N 2.404 3.564 3.166 1.00 . A A . 20 CYS N 1 1 20 11348 1 1 20 CYS O O 4.157 0.585 3.293 1.00 . A A . 20 CYS O 1 1 20 11349 1 1 20 CYS SG S 1.758 0.191 0.906 1.00 . A A . 20 CYS SG 1 1 20 11350 1 1 21 ARG C C 6.819 1.942 3.078 1.00 . A A . 21 ARG C 1 1 20 11351 1 1 21 ARG CA C 6.036 1.966 1.770 1.00 . A A . 21 ARG CA 1 1 20 11352 1 1 21 ARG CB C 6.697 2.924 0.779 1.00 . A A . 21 ARG CB 1 1 20 11353 1 1 21 ARG CD C 8.607 3.429 -0.749 1.00 . A A . 21 ARG CD 1 1 20 11354 1 1 21 ARG CG C 8.012 2.420 0.215 1.00 . A A . 21 ARG CG 1 1 20 11355 1 1 21 ARG CZ C 10.931 3.562 -1.562 1.00 . A A . 21 ARG CZ 1 1 20 11356 1 1 21 ARG H H 4.326 3.197 1.585 1.00 . A A . 21 ARG H 1 1 20 11357 1 1 21 ARG HA H 6.036 0.969 1.351 1.00 . A A . 21 ARG HA 1 1 20 11358 1 1 21 ARG HB2 H 6.020 3.074 -0.050 1.00 . A A . 21 ARG HB2 1 1 20 11359 1 1 21 ARG HB3 H 6.870 3.877 1.265 1.00 . A A . 21 ARG HB3 1 1 20 11360 1 1 21 ARG HD2 H 7.856 3.681 -1.491 1.00 . A A . 21 ARG HD2 1 1 20 11361 1 1 21 ARG HD3 H 8.855 4.310 -0.189 1.00 . A A . 21 ARG HD3 1 1 20 11362 1 1 21 ARG HE H 9.687 2.029 -1.885 1.00 . A A . 21 ARG HE 1 1 20 11363 1 1 21 ARG HG2 H 8.705 2.257 1.027 1.00 . A A . 21 ARG HG2 1 1 20 11364 1 1 21 ARG HG3 H 7.839 1.491 -0.308 1.00 . A A . 21 ARG HG3 1 1 20 11365 1 1 21 ARG HH11 H 10.403 5.126 -0.368 1.00 . A A . 21 ARG HH11 1 1 20 11366 1 1 21 ARG HH12 H 11.984 5.202 -1.032 1.00 . A A . 21 ARG HH12 1 1 20 11367 1 1 21 ARG HH21 H 11.788 2.165 -2.748 1.00 . A A . 21 ARG HH21 1 1 20 11368 1 1 21 ARG HH22 H 12.782 3.535 -2.378 1.00 . A A . 21 ARG HH22 1 1 20 11369 1 1 21 ARG N N 4.655 2.363 1.999 1.00 . A A . 21 ARG N 1 1 20 11370 1 1 21 ARG NE N 9.778 2.906 -1.447 1.00 . A A . 21 ARG NE 1 1 20 11371 1 1 21 ARG NH1 N 11.110 4.720 -0.934 1.00 . A A . 21 ARG NH1 1 1 20 11372 1 1 21 ARG NH2 N 11.912 3.046 -2.287 1.00 . A A . 21 ARG NH2 1 1 20 11373 1 1 21 ARG O O 7.619 1.040 3.311 1.00 . A A . 21 ARG O 1 1 20 11374 1 1 22 LYS C C 6.915 1.832 6.102 1.00 . A A . 22 LYS C 1 1 20 11375 1 1 22 LYS CA C 7.268 3.019 5.209 1.00 . A A . 22 LYS CA 1 1 20 11376 1 1 22 LYS CB C 6.920 4.332 5.918 1.00 . A A . 22 LYS CB 1 1 20 11377 1 1 22 LYS CD C 7.460 5.962 7.758 1.00 . A A . 22 LYS CD 1 1 20 11378 1 1 22 LYS CE C 8.563 6.492 8.665 1.00 . A A . 22 LYS CE 1 1 20 11379 1 1 22 LYS CG C 7.882 4.688 7.044 1.00 . A A . 22 LYS CG 1 1 20 11380 1 1 22 LYS H H 5.912 3.619 3.700 1.00 . A A . 22 LYS H 1 1 20 11381 1 1 22 LYS HA H 8.334 2.998 5.010 1.00 . A A . 22 LYS HA 1 1 20 11382 1 1 22 LYS HB2 H 6.945 5.133 5.191 1.00 . A A . 22 LYS HB2 1 1 20 11383 1 1 22 LYS HB3 H 5.918 4.265 6.327 1.00 . A A . 22 LYS HB3 1 1 20 11384 1 1 22 LYS HD2 H 7.224 6.723 7.026 1.00 . A A . 22 LYS HD2 1 1 20 11385 1 1 22 LYS HD3 H 6.586 5.753 8.357 1.00 . A A . 22 LYS HD3 1 1 20 11386 1 1 22 LYS HE2 H 9.422 6.741 8.059 1.00 . A A . 22 LYS HE2 1 1 20 11387 1 1 22 LYS HE3 H 8.204 7.384 9.157 1.00 . A A . 22 LYS HE3 1 1 20 11388 1 1 22 LYS HG2 H 7.901 3.877 7.758 1.00 . A A . 22 LYS HG2 1 1 20 11389 1 1 22 LYS HG3 H 8.869 4.823 6.622 1.00 . A A . 22 LYS HG3 1 1 20 11390 1 1 22 LYS HZ1 H 9.634 5.950 10.371 1.00 . A A . 22 LYS HZ1 1 1 20 11391 1 1 22 LYS HZ2 H 9.454 4.694 9.258 1.00 . A A . 22 LYS HZ2 1 1 20 11392 1 1 22 LYS HZ3 H 8.146 5.159 10.228 1.00 . A A . 22 LYS HZ3 1 1 20 11393 1 1 22 LYS N N 6.572 2.926 3.933 1.00 . A A . 22 LYS N 1 1 20 11394 1 1 22 LYS NZ N 8.976 5.504 9.700 1.00 . A A . 22 LYS NZ 1 1 20 11395 1 1 22 LYS O O 7.776 1.287 6.792 1.00 . A A . 22 LYS O 1 1 20 11396 1 1 23 GLN C C 5.607 -1.038 6.293 1.00 . A A . 23 GLN C 1 1 20 11397 1 1 23 GLN CA C 5.203 0.305 6.897 1.00 . A A . 23 GLN CA 1 1 20 11398 1 1 23 GLN CB C 3.686 0.335 7.082 1.00 . A A . 23 GLN CB 1 1 20 11399 1 1 23 GLN CD C 1.702 1.428 8.170 1.00 . A A . 23 GLN CD 1 1 20 11400 1 1 23 GLN CG C 3.181 1.533 7.867 1.00 . A A . 23 GLN CG 1 1 20 11401 1 1 23 GLN H H 4.997 1.887 5.501 1.00 . A A . 23 GLN H 1 1 20 11402 1 1 23 GLN HA H 5.667 0.391 7.873 1.00 . A A . 23 GLN HA 1 1 20 11403 1 1 23 GLN HB2 H 3.218 0.350 6.108 1.00 . A A . 23 GLN HB2 1 1 20 11404 1 1 23 GLN HB3 H 3.378 -0.565 7.605 1.00 . A A . 23 GLN HB3 1 1 20 11405 1 1 23 GLN HE21 H 1.248 2.310 6.438 1.00 . A A . 23 GLN HE21 1 1 20 11406 1 1 23 GLN HE22 H -0.085 1.852 7.437 1.00 . A A . 23 GLN HE22 1 1 20 11407 1 1 23 GLN HG2 H 3.717 1.584 8.805 1.00 . A A . 23 GLN HG2 1 1 20 11408 1 1 23 GLN HG3 H 3.364 2.431 7.305 1.00 . A A . 23 GLN HG3 1 1 20 11409 1 1 23 GLN N N 5.651 1.425 6.077 1.00 . A A . 23 GLN N 1 1 20 11410 1 1 23 GLN NE2 N 0.877 1.911 7.258 1.00 . A A . 23 GLN NE2 1 1 20 11411 1 1 23 GLN O O 6.256 -1.848 6.950 1.00 . A A . 23 GLN O 1 1 20 11412 1 1 23 GLN OE1 O 1.304 0.901 9.209 1.00 . A A . 23 GLN OE1 1 1 20 11413 1 1 24 THR C C 6.745 -2.660 3.670 1.00 . A A . 24 THR C 1 1 20 11414 1 1 24 THR CA C 5.424 -2.582 4.432 1.00 . A A . 24 THR CA 1 1 20 11415 1 1 24 THR CB C 4.265 -2.934 3.473 1.00 . A A . 24 THR CB 1 1 20 11416 1 1 24 THR CG2 C 2.940 -2.980 4.220 1.00 . A A . 24 THR CG2 1 1 20 11417 1 1 24 THR H H 4.709 -0.590 4.559 1.00 . A A . 24 THR H 1 1 20 11418 1 1 24 THR HA H 5.448 -3.332 5.215 1.00 . A A . 24 THR HA 1 1 20 11419 1 1 24 THR HB H 4.439 -3.912 3.041 1.00 . A A . 24 THR HB 1 1 20 11420 1 1 24 THR HG1 H 3.712 -2.346 1.666 1.00 . A A . 24 THR HG1 1 1 20 11421 1 1 24 THR HG21 H 2.740 -2.015 4.664 1.00 . A A . 24 THR HG21 1 1 20 11422 1 1 24 THR HG22 H 2.987 -3.731 4.996 1.00 . A A . 24 THR HG22 1 1 20 11423 1 1 24 THR HG23 H 2.148 -3.228 3.529 1.00 . A A . 24 THR HG23 1 1 20 11424 1 1 24 THR N N 5.225 -1.274 5.046 1.00 . A A . 24 THR N 1 1 20 11425 1 1 24 THR O O 7.458 -3.662 3.740 1.00 . A A . 24 THR O 1 1 20 11426 1 1 24 THR OG1 O 4.188 -1.969 2.410 1.00 . A A . 24 THR OG1 1 1 20 11427 1 1 25 GLY C C 7.793 -1.508 0.630 1.00 . A A . 25 GLY C 1 1 20 11428 1 1 25 GLY CA C 8.220 -1.618 2.077 1.00 . A A . 25 GLY CA 1 1 20 11429 1 1 25 GLY H H 6.492 -0.803 2.956 1.00 . A A . 25 GLY H 1 1 20 11430 1 1 25 GLY HA2 H 8.864 -0.784 2.310 1.00 . A A . 25 GLY HA2 1 1 20 11431 1 1 25 GLY HA3 H 8.787 -2.532 2.200 1.00 . A A . 25 GLY HA3 1 1 20 11432 1 1 25 GLY N N 7.081 -1.590 2.968 1.00 . A A . 25 GLY N 1 1 20 11433 1 1 25 GLY O O 8.598 -1.177 -0.242 1.00 . A A . 25 GLY O 1 1 20 11434 1 1 26 CYS C C 5.538 -0.315 -1.340 1.00 . A A . 26 CYS C 1 1 20 11435 1 1 26 CYS CA C 5.974 -1.729 -0.971 1.00 . A A . 26 CYS CA 1 1 20 11436 1 1 26 CYS CB C 4.784 -2.684 -1.102 1.00 . A A . 26 CYS CB 1 1 20 11437 1 1 26 CYS H H 5.910 -2.017 1.114 1.00 . A A . 26 CYS H 1 1 20 11438 1 1 26 CYS HA H 6.747 -2.073 -1.640 1.00 . A A . 26 CYS HA 1 1 20 11439 1 1 26 CYS HB2 H 5.040 -3.647 -0.728 1.00 . A A . 26 CYS HB2 1 1 20 11440 1 1 26 CYS HB3 H 3.980 -2.303 -0.486 1.00 . A A . 26 CYS HB3 1 1 20 11441 1 1 26 CYS N N 6.516 -1.770 0.380 1.00 . A A . 26 CYS N 1 1 20 11442 1 1 26 CYS O O 4.778 0.317 -0.610 1.00 . A A . 26 CYS O 1 1 20 11443 1 1 26 CYS SG S 4.123 -2.806 -2.798 1.00 . A A . 26 CYS SG 1 1 20 11444 1 1 27 PRO C C 4.373 1.541 -3.784 1.00 . A A . 27 PRO C 1 1 20 11445 1 1 27 PRO CA C 5.664 1.535 -2.961 1.00 . A A . 27 PRO CA 1 1 20 11446 1 1 27 PRO CB C 6.856 1.893 -3.841 1.00 . A A . 27 PRO CB 1 1 20 11447 1 1 27 PRO CD C 6.983 -0.464 -3.384 1.00 . A A . 27 PRO CD 1 1 20 11448 1 1 27 PRO CG C 7.296 0.590 -4.418 1.00 . A A . 27 PRO CG 1 1 20 11449 1 1 27 PRO HA H 5.582 2.251 -2.154 1.00 . A A . 27 PRO HA 1 1 20 11450 1 1 27 PRO HB2 H 6.567 2.596 -4.613 1.00 . A A . 27 PRO HB2 1 1 20 11451 1 1 27 PRO HB3 H 7.633 2.328 -3.231 1.00 . A A . 27 PRO HB3 1 1 20 11452 1 1 27 PRO HD2 H 6.536 -1.329 -3.851 1.00 . A A . 27 PRO HD2 1 1 20 11453 1 1 27 PRO HD3 H 7.883 -0.741 -2.855 1.00 . A A . 27 PRO HD3 1 1 20 11454 1 1 27 PRO HG2 H 6.752 0.392 -5.330 1.00 . A A . 27 PRO HG2 1 1 20 11455 1 1 27 PRO HG3 H 8.358 0.617 -4.614 1.00 . A A . 27 PRO HG3 1 1 20 11456 1 1 27 PRO N N 6.023 0.202 -2.479 1.00 . A A . 27 PRO N 1 1 20 11457 1 1 27 PRO O O 4.042 2.535 -4.430 1.00 . A A . 27 PRO O 1 1 20 11458 1 1 28 ASN C C 1.229 0.119 -3.606 1.00 . A A . 28 ASN C 1 1 20 11459 1 1 28 ASN CA C 2.419 0.315 -4.532 1.00 . A A . 28 ASN CA 1 1 20 11460 1 1 28 ASN CB C 2.494 -0.837 -5.539 1.00 . A A . 28 ASN CB 1 1 20 11461 1 1 28 ASN CG C 3.493 -0.585 -6.656 1.00 . A A . 28 ASN CG 1 1 20 11462 1 1 28 ASN H H 3.935 -0.325 -3.262 1.00 . A A . 28 ASN H 1 1 20 11463 1 1 28 ASN HA H 2.252 1.235 -5.072 1.00 . A A . 28 ASN HA 1 1 20 11464 1 1 28 ASN HB2 H 2.773 -1.739 -5.034 1.00 . A A . 28 ASN HB2 1 1 20 11465 1 1 28 ASN HB3 H 1.521 -0.978 -5.994 1.00 . A A . 28 ASN HB3 1 1 20 11466 1 1 28 ASN HD21 H 3.243 1.405 -6.553 1.00 . A A . 28 ASN HD21 1 1 20 11467 1 1 28 ASN HD22 H 4.366 0.836 -7.711 1.00 . A A . 28 ASN HD22 1 1 20 11468 1 1 28 ASN N N 3.653 0.428 -3.768 1.00 . A A . 28 ASN N 1 1 20 11469 1 1 28 ASN ND2 N 3.713 0.678 -6.997 1.00 . A A . 28 ASN ND2 1 1 20 11470 1 1 28 ASN O O 1.091 -0.922 -2.959 1.00 . A A . 28 ASN O 1 1 20 11471 1 1 28 ASN OD1 O 4.067 -1.525 -7.210 1.00 . A A . 28 ASN OD1 1 1 20 11472 1 1 29 ALA C C -2.025 1.580 -3.478 1.00 . A A . 29 ALA C 1 1 20 11473 1 1 29 ALA CA C -0.806 1.093 -2.705 1.00 . A A . 29 ALA CA 1 1 20 11474 1 1 29 ALA CB C -0.590 1.943 -1.463 1.00 . A A . 29 ALA CB 1 1 20 11475 1 1 29 ALA H H 0.543 1.941 -4.081 1.00 . A A . 29 ALA H 1 1 20 11476 1 1 29 ALA HA H -0.982 0.072 -2.381 1.00 . A A . 29 ALA HA 1 1 20 11477 1 1 29 ALA HB1 H -1.094 1.475 -0.635 1.00 . A A . 29 ALA HB1 1 1 20 11478 1 1 29 ALA HB2 H -0.980 2.943 -1.608 1.00 . A A . 29 ALA HB2 1 1 20 11479 1 1 29 ALA HB3 H 0.467 2.005 -1.240 1.00 . A A . 29 ALA HB3 1 1 20 11480 1 1 29 ALA N N 0.376 1.131 -3.547 1.00 . A A . 29 ALA N 1 1 20 11481 1 1 29 ALA O O -1.950 2.564 -4.214 1.00 . A A . 29 ALA O 1 1 20 11482 1 1 30 LYS C C -5.513 1.183 -2.987 1.00 . A A . 30 LYS C 1 1 20 11483 1 1 30 LYS CA C -4.372 1.224 -3.996 1.00 . A A . 30 LYS CA 1 1 20 11484 1 1 30 LYS CB C -4.612 0.239 -5.152 1.00 . A A . 30 LYS CB 1 1 20 11485 1 1 30 LYS CD C -7.074 0.472 -5.674 1.00 . A A . 30 LYS CD 1 1 20 11486 1 1 30 LYS CE C -8.098 0.828 -6.738 1.00 . A A . 30 LYS CE 1 1 20 11487 1 1 30 LYS CG C -5.653 0.682 -6.173 1.00 . A A . 30 LYS CG 1 1 20 11488 1 1 30 LYS H H -3.129 0.098 -2.717 1.00 . A A . 30 LYS H 1 1 20 11489 1 1 30 LYS HA H -4.293 2.231 -4.397 1.00 . A A . 30 LYS HA 1 1 20 11490 1 1 30 LYS HB2 H -3.678 0.109 -5.682 1.00 . A A . 30 LYS HB2 1 1 20 11491 1 1 30 LYS HB3 H -4.908 -0.723 -4.748 1.00 . A A . 30 LYS HB3 1 1 20 11492 1 1 30 LYS HD2 H -7.206 -0.563 -5.403 1.00 . A A . 30 LYS HD2 1 1 20 11493 1 1 30 LYS HD3 H -7.254 1.091 -4.824 1.00 . A A . 30 LYS HD3 1 1 20 11494 1 1 30 LYS HE2 H -7.907 0.239 -7.624 1.00 . A A . 30 LYS HE2 1 1 20 11495 1 1 30 LYS HE3 H -9.082 0.593 -6.360 1.00 . A A . 30 LYS HE3 1 1 20 11496 1 1 30 LYS HG2 H -5.509 1.731 -6.391 1.00 . A A . 30 LYS HG2 1 1 20 11497 1 1 30 LYS HG3 H -5.509 0.106 -7.078 1.00 . A A . 30 LYS HG3 1 1 20 11498 1 1 30 LYS HZ1 H -8.131 2.860 -6.243 1.00 . A A . 30 LYS HZ1 1 1 20 11499 1 1 30 LYS HZ2 H -8.843 2.497 -7.731 1.00 . A A . 30 LYS HZ2 1 1 20 11500 1 1 30 LYS HZ3 H -7.162 2.491 -7.582 1.00 . A A . 30 LYS HZ3 1 1 20 11501 1 1 30 LYS N N -3.135 0.883 -3.312 1.00 . A A . 30 LYS N 1 1 20 11502 1 1 30 LYS NZ N -8.053 2.267 -7.096 1.00 . A A . 30 LYS NZ 1 1 20 11503 1 1 30 LYS O O -5.662 0.207 -2.253 1.00 . A A . 30 LYS O 1 1 20 11504 1 1 31 CYS C C -8.616 1.623 -2.342 1.00 . A A . 31 CYS C 1 1 20 11505 1 1 31 CYS CA C -7.339 2.342 -1.917 1.00 . A A . 31 CYS CA 1 1 20 11506 1 1 31 CYS CB C -7.627 3.812 -1.583 1.00 . A A . 31 CYS CB 1 1 20 11507 1 1 31 CYS H H -6.152 2.996 -3.547 1.00 . A A . 31 CYS H 1 1 20 11508 1 1 31 CYS HA H -6.958 1.876 -1.027 1.00 . A A . 31 CYS HA 1 1 20 11509 1 1 31 CYS HB2 H -8.244 3.853 -0.699 1.00 . A A . 31 CYS HB2 1 1 20 11510 1 1 31 CYS HB3 H -6.689 4.307 -1.374 1.00 . A A . 31 CYS HB3 1 1 20 11511 1 1 31 CYS N N -6.311 2.235 -2.939 1.00 . A A . 31 CYS N 1 1 20 11512 1 1 31 CYS O O -9.209 1.932 -3.377 1.00 . A A . 31 CYS O 1 1 20 11513 1 1 31 CYS SG S -8.460 4.751 -2.908 1.00 . A A . 31 CYS SG 1 1 20 11514 1 1 32 ILE C C -11.029 -0.169 -0.465 1.00 . A A . 32 ILE C 1 1 20 11515 1 1 32 ILE CA C -10.253 -0.085 -1.769 1.00 . A A . 32 ILE CA 1 1 20 11516 1 1 32 ILE CB C -10.010 -1.514 -2.303 1.00 . A A . 32 ILE CB 1 1 20 11517 1 1 32 ILE CD1 C -9.018 -3.765 -1.680 1.00 . A A . 32 ILE CD1 1 1 20 11518 1 1 32 ILE CG1 C -9.110 -2.298 -1.347 1.00 . A A . 32 ILE CG1 1 1 20 11519 1 1 32 ILE CG2 C -9.403 -1.471 -3.698 1.00 . A A . 32 ILE CG2 1 1 20 11520 1 1 32 ILE H H -8.487 0.426 -0.744 1.00 . A A . 32 ILE H 1 1 20 11521 1 1 32 ILE HA H -10.859 0.453 -2.495 1.00 . A A . 32 ILE HA 1 1 20 11522 1 1 32 ILE HB H -10.967 -2.015 -2.381 1.00 . A A . 32 ILE HB 1 1 20 11523 1 1 32 ILE HD11 H -8.207 -3.925 -2.374 1.00 . A A . 32 ILE HD11 1 1 20 11524 1 1 32 ILE HD12 H -9.945 -4.109 -2.123 1.00 . A A . 32 ILE HD12 1 1 20 11525 1 1 32 ILE HD13 H -8.831 -4.325 -0.778 1.00 . A A . 32 ILE HD13 1 1 20 11526 1 1 32 ILE HG12 H -8.118 -1.892 -1.384 1.00 . A A . 32 ILE HG12 1 1 20 11527 1 1 32 ILE HG13 H -9.479 -2.232 -0.338 1.00 . A A . 32 ILE HG13 1 1 20 11528 1 1 32 ILE HG21 H -8.437 -0.990 -3.657 1.00 . A A . 32 ILE HG21 1 1 20 11529 1 1 32 ILE HG22 H -10.053 -0.913 -4.358 1.00 . A A . 32 ILE HG22 1 1 20 11530 1 1 32 ILE HG23 H -9.289 -2.476 -4.079 1.00 . A A . 32 ILE HG23 1 1 20 11531 1 1 32 ILE N N -9.017 0.644 -1.545 1.00 . A A . 32 ILE N 1 1 20 11532 1 1 32 ILE O O -10.434 -0.352 0.601 1.00 . A A . 32 ILE O 1 1 20 11533 1 1 33 ASN C C -12.654 0.947 1.681 1.00 . A A . 33 ASN C 1 1 20 11534 1 1 33 ASN CA C -13.205 -0.017 0.630 1.00 . A A . 33 ASN CA 1 1 20 11535 1 1 33 ASN CB C -13.337 -1.429 1.219 1.00 . A A . 33 ASN CB 1 1 20 11536 1 1 33 ASN CG C -13.987 -2.407 0.258 1.00 . A A . 33 ASN CG 1 1 20 11537 1 1 33 ASN H H -12.759 0.126 -1.431 1.00 . A A . 33 ASN H 1 1 20 11538 1 1 33 ASN HA H -14.181 0.331 0.323 1.00 . A A . 33 ASN HA 1 1 20 11539 1 1 33 ASN HB2 H -12.353 -1.801 1.463 1.00 . A A . 33 ASN HB2 1 1 20 11540 1 1 33 ASN HB3 H -13.933 -1.387 2.123 1.00 . A A . 33 ASN HB3 1 1 20 11541 1 1 33 ASN HD21 H -15.795 -2.028 1.017 1.00 . A A . 33 ASN HD21 1 1 20 11542 1 1 33 ASN HD22 H -15.732 -3.179 -0.269 1.00 . A A . 33 ASN HD22 1 1 20 11543 1 1 33 ASN N N -12.343 -0.025 -0.552 1.00 . A A . 33 ASN N 1 1 20 11544 1 1 33 ASN ND2 N -15.300 -2.550 0.346 1.00 . A A . 33 ASN ND2 1 1 20 11545 1 1 33 ASN O O -12.484 0.583 2.848 1.00 . A A . 33 ASN O 1 1 20 11546 1 1 33 ASN OD1 O -13.309 -3.040 -0.555 1.00 . A A . 33 ASN OD1 1 1 20 11547 1 1 34 LYS C C -10.284 2.931 2.405 1.00 . A A . 34 LYS C 1 1 20 11548 1 1 34 LYS CA C -11.745 3.229 2.057 1.00 . A A . 34 LYS CA 1 1 20 11549 1 1 34 LYS CB C -12.531 3.462 3.355 1.00 . A A . 34 LYS CB 1 1 20 11550 1 1 34 LYS CD C -14.672 4.182 4.452 1.00 . A A . 34 LYS CD 1 1 20 11551 1 1 34 LYS CE C -14.404 3.219 5.602 1.00 . A A . 34 LYS CE 1 1 20 11552 1 1 34 LYS CG C -14.014 3.726 3.157 1.00 . A A . 34 LYS CG 1 1 20 11553 1 1 34 LYS H H -12.495 2.375 0.279 1.00 . A A . 34 LYS H 1 1 20 11554 1 1 34 LYS HA H -11.772 4.139 1.476 1.00 . A A . 34 LYS HA 1 1 20 11555 1 1 34 LYS HB2 H -12.420 2.595 3.983 1.00 . A A . 34 LYS HB2 1 1 20 11556 1 1 34 LYS HB3 H -12.099 4.316 3.864 1.00 . A A . 34 LYS HB3 1 1 20 11557 1 1 34 LYS HD2 H -14.284 5.154 4.716 1.00 . A A . 34 LYS HD2 1 1 20 11558 1 1 34 LYS HD3 H -15.739 4.251 4.295 1.00 . A A . 34 LYS HD3 1 1 20 11559 1 1 34 LYS HE2 H -13.345 3.128 5.774 1.00 . A A . 34 LYS HE2 1 1 20 11560 1 1 34 LYS HE3 H -14.862 3.630 6.490 1.00 . A A . 34 LYS HE3 1 1 20 11561 1 1 34 LYS HG2 H -14.141 4.499 2.412 1.00 . A A . 34 LYS HG2 1 1 20 11562 1 1 34 LYS HG3 H -14.491 2.817 2.822 1.00 . A A . 34 LYS HG3 1 1 20 11563 1 1 34 LYS HZ1 H -14.525 1.421 4.545 1.00 . A A . 34 LYS HZ1 1 1 20 11564 1 1 34 LYS HZ2 H -16.006 1.944 5.177 1.00 . A A . 34 LYS HZ2 1 1 20 11565 1 1 34 LYS HZ3 H -14.840 1.272 6.199 1.00 . A A . 34 LYS HZ3 1 1 20 11566 1 1 34 LYS N N -12.349 2.170 1.230 1.00 . A A . 34 LYS N 1 1 20 11567 1 1 34 LYS NZ N -14.984 1.873 5.362 1.00 . A A . 34 LYS NZ 1 1 20 11568 1 1 34 LYS O O -9.483 3.847 2.585 1.00 . A A . 34 LYS O 1 1 20 11569 1 1 35 SER C C -7.558 1.362 1.929 1.00 . A A . 35 SER C 1 1 20 11570 1 1 35 SER CA C -8.644 1.251 2.989 1.00 . A A . 35 SER CA 1 1 20 11571 1 1 35 SER CB C -8.730 -0.189 3.497 1.00 . A A . 35 SER CB 1 1 20 11572 1 1 35 SER H H -10.587 0.966 2.310 1.00 . A A . 35 SER H 1 1 20 11573 1 1 35 SER HA H -8.394 1.889 3.830 1.00 . A A . 35 SER HA 1 1 20 11574 1 1 35 SER HB2 H -9.512 -0.257 4.239 1.00 . A A . 35 SER HB2 1 1 20 11575 1 1 35 SER HB3 H -8.962 -0.851 2.674 1.00 . A A . 35 SER HB3 1 1 20 11576 1 1 35 SER HG H -7.635 -1.455 4.515 1.00 . A A . 35 SER HG 1 1 20 11577 1 1 35 SER N N -9.935 1.661 2.477 1.00 . A A . 35 SER N 1 1 20 11578 1 1 35 SER O O -7.687 0.816 0.833 1.00 . A A . 35 SER O 1 1 20 11579 1 1 35 SER OG O -7.511 -0.604 4.088 1.00 . A A . 35 SER OG 1 1 20 11580 1 1 36 CYS C C -4.694 0.673 1.479 1.00 . A A . 36 CYS C 1 1 20 11581 1 1 36 CYS CA C -5.300 2.075 1.436 1.00 . A A . 36 CYS CA 1 1 20 11582 1 1 36 CYS CB C -4.297 3.100 1.959 1.00 . A A . 36 CYS CB 1 1 20 11583 1 1 36 CYS H H -6.470 2.533 3.131 1.00 . A A . 36 CYS H 1 1 20 11584 1 1 36 CYS HA H -5.560 2.329 0.419 1.00 . A A . 36 CYS HA 1 1 20 11585 1 1 36 CYS HB2 H -4.722 4.088 1.862 1.00 . A A . 36 CYS HB2 1 1 20 11586 1 1 36 CYS HB3 H -4.100 2.901 3.003 1.00 . A A . 36 CYS HB3 1 1 20 11587 1 1 36 CYS N N -6.503 2.098 2.245 1.00 . A A . 36 CYS N 1 1 20 11588 1 1 36 CYS O O -4.055 0.295 2.461 1.00 . A A . 36 CYS O 1 1 20 11589 1 1 36 CYS SG S -2.705 3.099 1.085 1.00 . A A . 36 CYS SG 1 1 20 11590 1 1 37 LYS C C -3.153 -1.614 -0.305 1.00 . A A . 37 LYS C 1 1 20 11591 1 1 37 LYS CA C -4.496 -1.488 0.399 1.00 . A A . 37 LYS CA 1 1 20 11592 1 1 37 LYS CB C -5.550 -2.346 -0.305 1.00 . A A . 37 LYS CB 1 1 20 11593 1 1 37 LYS CD C -4.948 -4.616 0.602 1.00 . A A . 37 LYS CD 1 1 20 11594 1 1 37 LYS CE C -4.698 -5.271 -0.748 1.00 . A A . 37 LYS CE 1 1 20 11595 1 1 37 LYS CG C -6.016 -3.541 0.510 1.00 . A A . 37 LYS CG 1 1 20 11596 1 1 37 LYS H H -5.465 0.248 -0.318 1.00 . A A . 37 LYS H 1 1 20 11597 1 1 37 LYS HA H -4.391 -1.836 1.424 1.00 . A A . 37 LYS HA 1 1 20 11598 1 1 37 LYS HB2 H -6.415 -1.730 -0.482 1.00 . A A . 37 LYS HB2 1 1 20 11599 1 1 37 LYS HB3 H -5.185 -2.686 -1.261 1.00 . A A . 37 LYS HB3 1 1 20 11600 1 1 37 LYS HD2 H -4.025 -4.177 0.956 1.00 . A A . 37 LYS HD2 1 1 20 11601 1 1 37 LYS HD3 H -5.277 -5.372 1.300 1.00 . A A . 37 LYS HD3 1 1 20 11602 1 1 37 LYS HE2 H -5.618 -5.715 -1.099 1.00 . A A . 37 LYS HE2 1 1 20 11603 1 1 37 LYS HE3 H -4.369 -4.525 -1.454 1.00 . A A . 37 LYS HE3 1 1 20 11604 1 1 37 LYS HG2 H -6.263 -3.212 1.510 1.00 . A A . 37 LYS HG2 1 1 20 11605 1 1 37 LYS HG3 H -6.896 -3.956 0.048 1.00 . A A . 37 LYS HG3 1 1 20 11606 1 1 37 LYS HZ1 H -3.470 -6.715 -1.616 1.00 . A A . 37 LYS HZ1 1 1 20 11607 1 1 37 LYS HZ2 H -3.979 -7.105 -0.052 1.00 . A A . 37 LYS HZ2 1 1 20 11608 1 1 37 LYS HZ3 H -2.771 -5.943 -0.284 1.00 . A A . 37 LYS HZ3 1 1 20 11609 1 1 37 LYS N N -4.928 -0.103 0.433 1.00 . A A . 37 LYS N 1 1 20 11610 1 1 37 LYS NZ N -3.657 -6.330 -0.668 1.00 . A A . 37 LYS NZ 1 1 20 11611 1 1 37 LYS O O -2.990 -1.184 -1.447 1.00 . A A . 37 LYS O 1 1 20 11612 1 1 38 CYS C C -0.852 -3.772 -0.863 1.00 . A A . 38 CYS C 1 1 20 11613 1 1 38 CYS CA C -0.877 -2.425 -0.162 1.00 . A A . 38 CYS CA 1 1 20 11614 1 1 38 CYS CB C 0.174 -2.386 0.949 1.00 . A A . 38 CYS CB 1 1 20 11615 1 1 38 CYS H H -2.389 -2.525 1.303 1.00 . A A . 38 CYS H 1 1 20 11616 1 1 38 CYS HA H -0.654 -1.642 -0.880 1.00 . A A . 38 CYS HA 1 1 20 11617 1 1 38 CYS HB2 H -0.056 -3.153 1.677 1.00 . A A . 38 CYS HB2 1 1 20 11618 1 1 38 CYS HB3 H 1.150 -2.585 0.527 1.00 . A A . 38 CYS HB3 1 1 20 11619 1 1 38 CYS N N -2.197 -2.201 0.390 1.00 . A A . 38 CYS N 1 1 20 11620 1 1 38 CYS O O -1.498 -4.720 -0.419 1.00 . A A . 38 CYS O 1 1 20 11621 1 1 38 CYS SG S 0.254 -0.800 1.842 1.00 . A A . 38 CYS SG 1 1 20 11622 1 1 39 TYR C C 0.803 -6.155 -2.138 1.00 . A A . 39 TYR C 1 1 20 11623 1 1 39 TYR CA C -0.091 -5.083 -2.751 1.00 . A A . 39 TYR CA 1 1 20 11624 1 1 39 TYR CB C 0.344 -4.786 -4.185 1.00 . A A . 39 TYR CB 1 1 20 11625 1 1 39 TYR CD1 C -1.725 -4.788 -5.626 1.00 . A A . 39 TYR CD1 1 1 20 11626 1 1 39 TYR CD2 C -0.708 -2.690 -5.129 1.00 . A A . 39 TYR CD2 1 1 20 11627 1 1 39 TYR CE1 C -2.702 -4.146 -6.360 1.00 . A A . 39 TYR CE1 1 1 20 11628 1 1 39 TYR CE2 C -1.682 -2.040 -5.863 1.00 . A A . 39 TYR CE2 1 1 20 11629 1 1 39 TYR CG C -0.715 -4.073 -4.996 1.00 . A A . 39 TYR CG 1 1 20 11630 1 1 39 TYR CZ C -2.677 -2.774 -6.478 1.00 . A A . 39 TYR CZ 1 1 20 11631 1 1 39 TYR H H 0.395 -3.074 -2.268 1.00 . A A . 39 TYR H 1 1 20 11632 1 1 39 TYR HA H -1.102 -5.479 -2.778 1.00 . A A . 39 TYR HA 1 1 20 11633 1 1 39 TYR HB2 H 1.232 -4.168 -4.161 1.00 . A A . 39 TYR HB2 1 1 20 11634 1 1 39 TYR HB3 H 0.582 -5.716 -4.693 1.00 . A A . 39 TYR HB3 1 1 20 11635 1 1 39 TYR HD1 H -1.747 -5.865 -5.534 1.00 . A A . 39 TYR HD1 1 1 20 11636 1 1 39 TYR HD2 H 0.069 -2.123 -4.657 1.00 . A A . 39 TYR HD2 1 1 20 11637 1 1 39 TYR HE1 H -3.479 -4.721 -6.842 1.00 . A A . 39 TYR HE1 1 1 20 11638 1 1 39 TYR HE2 H -1.661 -0.964 -5.955 1.00 . A A . 39 TYR HE2 1 1 20 11639 1 1 39 TYR HH H -3.398 -2.118 -8.136 1.00 . A A . 39 TYR HH 1 1 20 11640 1 1 39 TYR N N -0.109 -3.863 -1.955 1.00 . A A . 39 TYR N 1 1 20 11641 1 1 39 TYR O O 0.930 -7.249 -2.684 1.00 . A A . 39 TYR O 1 1 20 11642 1 1 39 TYR OH O -3.651 -2.133 -7.210 1.00 . A A . 39 TYR OH 1 1 20 11643 1 1 40 GLY C C 3.524 -7.058 -1.043 1.00 . A A . 40 GLY C 1 1 20 11644 1 1 40 GLY CA C 2.241 -6.780 -0.290 1.00 . A A . 40 GLY CA 1 1 20 11645 1 1 40 GLY H H 1.268 -4.963 -0.585 1.00 . A A . 40 GLY H 1 1 20 11646 1 1 40 GLY HA2 H 2.480 -6.375 0.684 1.00 . A A . 40 GLY HA2 1 1 20 11647 1 1 40 GLY HA3 H 1.705 -7.711 -0.155 1.00 . A A . 40 GLY HA3 1 1 20 11648 1 1 40 GLY N N 1.395 -5.835 -0.992 1.00 . A A . 40 GLY N 1 1 20 11649 1 1 40 GLY O O 3.572 -7.945 -1.890 1.00 . A A . 40 GLY O 1 1 20 11650 1 1 41 CYS C C 6.980 -6.586 -0.536 1.00 . A A . 41 CYS C 1 1 20 11651 1 1 41 CYS CA C 5.805 -6.411 -1.483 1.00 . A A . 41 CYS CA 1 1 20 11652 1 1 41 CYS CB C 5.990 -5.162 -2.346 1.00 . A A . 41 CYS CB 1 1 20 11653 1 1 41 CYS H H 4.484 -5.620 -0.039 1.00 . A A . 41 CYS H 1 1 20 11654 1 1 41 CYS HA H 5.770 -7.276 -2.135 1.00 . A A . 41 CYS HA 1 1 20 11655 1 1 41 CYS HB2 H 6.303 -4.340 -1.750 1.00 . A A . 41 CYS HB2 1 1 20 11656 1 1 41 CYS HB3 H 6.781 -5.372 -3.053 1.00 . A A . 41 CYS HB3 1 1 20 11657 1 1 41 CYS N N 4.567 -6.314 -0.733 1.00 . A A . 41 CYS N 1 1 20 11658 1 1 41 CYS O O 7.350 -5.607 0.142 1.00 . A A . 41 CYS O 1 1 20 11659 1 1 41 CYS OXT O 7.513 -7.713 -0.455 1.00 . A A . 41 CYS OXT 1 1 20 11660 1 1 41 CYS SG S 4.515 -4.724 -3.333 1.00 . A A . 41 CYS SG 1 1 21 11661 1 1 1 TRP C C 4.093 1.252 11.830 1.00 . A A . 1 TRP C 1 1 21 11662 1 1 1 TRP CA C 4.787 0.236 10.931 1.00 . A A . 1 TRP CA 1 1 21 11663 1 1 1 TRP CB C 4.368 -1.182 11.329 1.00 . A A . 1 TRP CB 1 1 21 11664 1 1 1 TRP CD1 C 4.858 -2.568 9.223 1.00 . A A . 1 TRP CD1 1 1 21 11665 1 1 1 TRP CD2 C 6.044 -3.173 11.023 1.00 . A A . 1 TRP CD2 1 1 21 11666 1 1 1 TRP CE2 C 6.410 -4.001 9.945 1.00 . A A . 1 TRP CE2 1 1 21 11667 1 1 1 TRP CE3 C 6.665 -3.368 12.260 1.00 . A A . 1 TRP CE3 1 1 21 11668 1 1 1 TRP CG C 5.054 -2.257 10.539 1.00 . A A . 1 TRP CG 1 1 21 11669 1 1 1 TRP CH2 C 7.949 -5.179 11.291 1.00 . A A . 1 TRP CH2 1 1 21 11670 1 1 1 TRP CZ2 C 7.358 -5.011 10.068 1.00 . A A . 1 TRP CZ2 1 1 21 11671 1 1 1 TRP CZ3 C 7.606 -4.373 12.383 1.00 . A A . 1 TRP CZ3 1 1 21 11672 1 1 1 TRP H1 H 6.558 0.099 11.986 1.00 . A A . 1 TRP H1 1 1 21 11673 1 1 1 TRP H2 H 6.488 1.391 10.855 1.00 . A A . 1 TRP H2 1 1 21 11674 1 1 1 TRP H3 H 6.695 -0.212 10.305 1.00 . A A . 1 TRP H3 1 1 21 11675 1 1 1 TRP HA H 4.503 0.410 9.901 1.00 . A A . 1 TRP HA 1 1 21 11676 1 1 1 TRP HB2 H 4.593 -1.341 12.376 1.00 . A A . 1 TRP HB2 1 1 21 11677 1 1 1 TRP HB3 H 3.303 -1.290 11.178 1.00 . A A . 1 TRP HB3 1 1 21 11678 1 1 1 TRP HD1 H 4.164 -2.056 8.573 1.00 . A A . 1 TRP HD1 1 1 21 11679 1 1 1 TRP HE1 H 5.720 -4.012 7.967 1.00 . A A . 1 TRP HE1 1 1 21 11680 1 1 1 TRP HE3 H 6.413 -2.756 13.114 1.00 . A A . 1 TRP HE3 1 1 21 11681 1 1 1 TRP HH2 H 8.689 -5.953 11.433 1.00 . A A . 1 TRP HH2 1 1 21 11682 1 1 1 TRP HZ2 H 7.634 -5.641 9.235 1.00 . A A . 1 TRP HZ2 1 1 21 11683 1 1 1 TRP HZ3 H 8.095 -4.538 13.332 1.00 . A A . 1 TRP HZ3 1 1 21 11684 1 1 1 TRP N N 6.254 0.388 11.030 1.00 . A A . 1 TRP N 1 1 21 11685 1 1 1 TRP NE1 N 5.674 -3.611 8.860 1.00 . A A . 1 TRP NE1 1 1 21 11686 1 1 1 TRP O O 4.298 1.263 13.042 1.00 . A A . 1 TRP O 1 1 21 11687 1 1 2 CYS C C 1.215 2.606 12.430 1.00 . A A . 2 CYS C 1 1 21 11688 1 1 2 CYS CA C 2.570 3.136 11.976 1.00 . A A . 2 CYS CA 1 1 21 11689 1 1 2 CYS CB C 2.393 4.388 11.113 1.00 . A A . 2 CYS CB 1 1 21 11690 1 1 2 CYS H H 3.156 2.055 10.269 1.00 . A A . 2 CYS H 1 1 21 11691 1 1 2 CYS HA H 3.160 3.407 12.847 1.00 . A A . 2 CYS HA 1 1 21 11692 1 1 2 CYS HB2 H 3.371 4.741 10.817 1.00 . A A . 2 CYS HB2 1 1 21 11693 1 1 2 CYS HB3 H 1.842 4.126 10.236 1.00 . A A . 2 CYS HB3 1 1 21 11694 1 1 2 CYS N N 3.281 2.109 11.232 1.00 . A A . 2 CYS N 1 1 21 11695 1 1 2 CYS O O 0.350 2.300 11.606 1.00 . A A . 2 CYS O 1 1 21 11696 1 1 2 CYS SG S 1.553 5.767 11.958 1.00 . A A . 2 CYS SG 1 1 21 11697 1 1 3 SER C C -1.343 2.923 14.267 1.00 . A A . 3 SER C 1 1 21 11698 1 1 3 SER CA C -0.185 1.927 14.295 1.00 . A A . 3 SER CA 1 1 21 11699 1 1 3 SER CB C 0.083 1.459 15.723 1.00 . A A . 3 SER CB 1 1 21 11700 1 1 3 SER H H 1.758 2.766 14.348 1.00 . A A . 3 SER H 1 1 21 11701 1 1 3 SER HA H -0.461 1.064 13.701 1.00 . A A . 3 SER HA 1 1 21 11702 1 1 3 SER HB2 H -0.851 1.228 16.221 1.00 . A A . 3 SER HB2 1 1 21 11703 1 1 3 SER HB3 H 0.698 0.570 15.694 1.00 . A A . 3 SER HB3 1 1 21 11704 1 1 3 SER HG H 1.703 2.262 16.497 1.00 . A A . 3 SER HG 1 1 21 11705 1 1 3 SER N N 1.031 2.500 13.736 1.00 . A A . 3 SER N 1 1 21 11706 1 1 3 SER O O -2.485 2.576 14.566 1.00 . A A . 3 SER O 1 1 21 11707 1 1 3 SER OG O 0.763 2.461 16.463 1.00 . A A . 3 SER OG 1 1 21 11708 1 1 4 THR C C -2.168 5.751 12.396 1.00 . A A . 4 THR C 1 1 21 11709 1 1 4 THR CA C -2.060 5.198 13.815 1.00 . A A . 4 THR CA 1 1 21 11710 1 1 4 THR CB C -1.750 6.336 14.800 1.00 . A A . 4 THR CB 1 1 21 11711 1 1 4 THR CG2 C -2.295 6.019 16.184 1.00 . A A . 4 THR CG2 1 1 21 11712 1 1 4 THR H H -0.135 4.405 13.693 1.00 . A A . 4 THR H 1 1 21 11713 1 1 4 THR HA H -3.027 4.775 14.065 1.00 . A A . 4 THR HA 1 1 21 11714 1 1 4 THR HB H -2.215 7.259 14.471 1.00 . A A . 4 THR HB 1 1 21 11715 1 1 4 THR HG1 H -0.147 7.438 15.165 1.00 . A A . 4 THR HG1 1 1 21 11716 1 1 4 THR HG21 H -3.367 5.891 16.131 1.00 . A A . 4 THR HG21 1 1 21 11717 1 1 4 THR HG22 H -2.064 6.833 16.855 1.00 . A A . 4 THR HG22 1 1 21 11718 1 1 4 THR HG23 H -1.841 5.110 16.553 1.00 . A A . 4 THR HG23 1 1 21 11719 1 1 4 THR N N -1.044 4.160 13.906 1.00 . A A . 4 THR N 1 1 21 11720 1 1 4 THR O O -2.689 6.846 12.182 1.00 . A A . 4 THR O 1 1 21 11721 1 1 4 THR OG1 O -0.330 6.542 14.870 1.00 . A A . 4 THR OG1 1 1 21 11722 1 1 5 CYS C C -2.455 4.415 9.160 1.00 . A A . 5 CYS C 1 1 21 11723 1 1 5 CYS CA C -1.705 5.410 10.039 1.00 . A A . 5 CYS CA 1 1 21 11724 1 1 5 CYS CB C -0.274 5.581 9.532 1.00 . A A . 5 CYS CB 1 1 21 11725 1 1 5 CYS H H -1.310 4.100 11.635 1.00 . A A . 5 CYS H 1 1 21 11726 1 1 5 CYS HA H -2.209 6.365 9.960 1.00 . A A . 5 CYS HA 1 1 21 11727 1 1 5 CYS HB2 H 0.227 4.638 9.584 1.00 . A A . 5 CYS HB2 1 1 21 11728 1 1 5 CYS HB3 H -0.305 5.901 8.498 1.00 . A A . 5 CYS HB3 1 1 21 11729 1 1 5 CYS N N -1.698 4.978 11.429 1.00 . A A . 5 CYS N 1 1 21 11730 1 1 5 CYS O O -1.954 3.991 8.120 1.00 . A A . 5 CYS O 1 1 21 11731 1 1 5 CYS SG S 0.699 6.820 10.449 1.00 . A A . 5 CYS SG 1 1 21 11732 1 1 6 LEU C C -5.707 3.846 8.252 1.00 . A A . 6 LEU C 1 1 21 11733 1 1 6 LEU CA C -4.483 3.124 8.810 1.00 . A A . 6 LEU CA 1 1 21 11734 1 1 6 LEU CB C -4.936 1.924 9.659 1.00 . A A . 6 LEU CB 1 1 21 11735 1 1 6 LEU CD1 C -3.047 0.498 8.800 1.00 . A A . 6 LEU CD1 1 1 21 11736 1 1 6 LEU CD2 C -2.932 1.443 11.123 1.00 . A A . 6 LEU CD2 1 1 21 11737 1 1 6 LEU CG C -3.848 0.904 10.030 1.00 . A A . 6 LEU CG 1 1 21 11738 1 1 6 LEU H H -4.008 4.398 10.432 1.00 . A A . 6 LEU H 1 1 21 11739 1 1 6 LEU HA H -3.921 2.762 7.964 1.00 . A A . 6 LEU HA 1 1 21 11740 1 1 6 LEU HB2 H -5.378 2.304 10.570 1.00 . A A . 6 LEU HB2 1 1 21 11741 1 1 6 LEU HB3 H -5.705 1.390 9.113 1.00 . A A . 6 LEU HB3 1 1 21 11742 1 1 6 LEU HD11 H -3.718 0.204 8.004 1.00 . A A . 6 LEU HD11 1 1 21 11743 1 1 6 LEU HD12 H -2.410 -0.337 9.052 1.00 . A A . 6 LEU HD12 1 1 21 11744 1 1 6 LEU HD13 H -2.433 1.323 8.467 1.00 . A A . 6 LEU HD13 1 1 21 11745 1 1 6 LEU HD21 H -2.291 2.214 10.727 1.00 . A A . 6 LEU HD21 1 1 21 11746 1 1 6 LEU HD22 H -2.321 0.637 11.501 1.00 . A A . 6 LEU HD22 1 1 21 11747 1 1 6 LEU HD23 H -3.524 1.847 11.933 1.00 . A A . 6 LEU HD23 1 1 21 11748 1 1 6 LEU HG H -4.328 0.014 10.412 1.00 . A A . 6 LEU HG 1 1 21 11749 1 1 6 LEU N N -3.653 4.040 9.586 1.00 . A A . 6 LEU N 1 1 21 11750 1 1 6 LEU O O -6.489 3.271 7.496 1.00 . A A . 6 LEU O 1 1 21 11751 1 1 7 ASP C C -6.805 6.774 7.052 1.00 . A A . 7 ASP C 1 1 21 11752 1 1 7 ASP CA C -7.052 5.871 8.254 1.00 . A A . 7 ASP CA 1 1 21 11753 1 1 7 ASP CB C -7.533 6.704 9.446 1.00 . A A . 7 ASP CB 1 1 21 11754 1 1 7 ASP CG C -8.031 5.847 10.593 1.00 . A A . 7 ASP CG 1 1 21 11755 1 1 7 ASP H H -5.200 5.545 9.197 1.00 . A A . 7 ASP H 1 1 21 11756 1 1 7 ASP HA H -7.842 5.177 7.987 1.00 . A A . 7 ASP HA 1 1 21 11757 1 1 7 ASP HB2 H -6.715 7.310 9.806 1.00 . A A . 7 ASP HB2 1 1 21 11758 1 1 7 ASP HB3 H -8.343 7.351 9.133 1.00 . A A . 7 ASP HB3 1 1 21 11759 1 1 7 ASP N N -5.856 5.112 8.612 1.00 . A A . 7 ASP N 1 1 21 11760 1 1 7 ASP O O -7.005 7.987 7.121 1.00 . A A . 7 ASP O 1 1 21 11761 1 1 7 ASP OD1 O -7.198 5.361 11.388 1.00 . A A . 7 ASP OD1 1 1 21 11762 1 1 7 ASP OD2 O -9.264 5.659 10.712 1.00 . A A . 7 ASP OD2 1 1 21 11763 1 1 8 LEU C C -7.240 6.572 3.699 1.00 . A A . 8 LEU C 1 1 21 11764 1 1 8 LEU CA C -6.159 6.926 4.713 1.00 . A A . 8 LEU CA 1 1 21 11765 1 1 8 LEU CB C -4.771 6.642 4.117 1.00 . A A . 8 LEU CB 1 1 21 11766 1 1 8 LEU CD1 C -3.280 6.438 6.141 1.00 . A A . 8 LEU CD1 1 1 21 11767 1 1 8 LEU CD2 C -2.347 7.277 3.984 1.00 . A A . 8 LEU CD2 1 1 21 11768 1 1 8 LEU CG C -3.576 7.232 4.878 1.00 . A A . 8 LEU CG 1 1 21 11769 1 1 8 LEU H H -6.225 5.208 5.943 1.00 . A A . 8 LEU H 1 1 21 11770 1 1 8 LEU HA H -6.229 7.987 4.920 1.00 . A A . 8 LEU HA 1 1 21 11771 1 1 8 LEU HB2 H -4.645 5.570 4.049 1.00 . A A . 8 LEU HB2 1 1 21 11772 1 1 8 LEU HB3 H -4.751 7.046 3.109 1.00 . A A . 8 LEU HB3 1 1 21 11773 1 1 8 LEU HD11 H -3.185 5.388 5.901 1.00 . A A . 8 LEU HD11 1 1 21 11774 1 1 8 LEU HD12 H -4.078 6.574 6.850 1.00 . A A . 8 LEU HD12 1 1 21 11775 1 1 8 LEU HD13 H -2.356 6.786 6.585 1.00 . A A . 8 LEU HD13 1 1 21 11776 1 1 8 LEU HD21 H -2.069 6.273 3.693 1.00 . A A . 8 LEU HD21 1 1 21 11777 1 1 8 LEU HD22 H -1.528 7.737 4.518 1.00 . A A . 8 LEU HD22 1 1 21 11778 1 1 8 LEU HD23 H -2.563 7.859 3.099 1.00 . A A . 8 LEU HD23 1 1 21 11779 1 1 8 LEU HG H -3.808 8.246 5.172 1.00 . A A . 8 LEU HG 1 1 21 11780 1 1 8 LEU N N -6.369 6.181 5.951 1.00 . A A . 8 LEU N 1 1 21 11781 1 1 8 LEU O O -6.945 6.299 2.530 1.00 . A A . 8 LEU O 1 1 21 11782 1 1 9 ALA C C -9.753 6.924 2.054 1.00 . A A . 9 ALA C 1 1 21 11783 1 1 9 ALA CA C -9.653 6.173 3.379 1.00 . A A . 9 ALA CA 1 1 21 11784 1 1 9 ALA CB C -10.926 6.366 4.196 1.00 . A A . 9 ALA CB 1 1 21 11785 1 1 9 ALA H H -8.639 6.836 5.108 1.00 . A A . 9 ALA H 1 1 21 11786 1 1 9 ALA HA H -9.540 5.124 3.178 1.00 . A A . 9 ALA HA 1 1 21 11787 1 1 9 ALA HB1 H -11.778 6.015 3.633 1.00 . A A . 9 ALA HB1 1 1 21 11788 1 1 9 ALA HB2 H -11.054 7.414 4.426 1.00 . A A . 9 ALA HB2 1 1 21 11789 1 1 9 ALA HB3 H -10.849 5.805 5.116 1.00 . A A . 9 ALA HB3 1 1 21 11790 1 1 9 ALA N N -8.490 6.593 4.167 1.00 . A A . 9 ALA N 1 1 21 11791 1 1 9 ALA O O -10.486 7.904 1.932 1.00 . A A . 9 ALA O 1 1 21 11792 1 1 10 CYS C C -8.460 8.507 -0.113 1.00 . A A . 10 CYS C 1 1 21 11793 1 1 10 CYS CA C -8.928 7.068 -0.241 1.00 . A A . 10 CYS CA 1 1 21 11794 1 1 10 CYS CB C -10.251 6.977 -1.003 1.00 . A A . 10 CYS CB 1 1 21 11795 1 1 10 CYS H H -8.451 5.644 1.229 1.00 . A A . 10 CYS H 1 1 21 11796 1 1 10 CYS HA H -8.161 6.546 -0.781 1.00 . A A . 10 CYS HA 1 1 21 11797 1 1 10 CYS HB2 H -11.069 7.198 -0.337 1.00 . A A . 10 CYS HB2 1 1 21 11798 1 1 10 CYS HB3 H -10.257 7.689 -1.819 1.00 . A A . 10 CYS HB3 1 1 21 11799 1 1 10 CYS N N -9.010 6.438 1.066 1.00 . A A . 10 CYS N 1 1 21 11800 1 1 10 CYS O O -9.062 9.430 -0.661 1.00 . A A . 10 CYS O 1 1 21 11801 1 1 10 CYS SG S -10.561 5.332 -1.731 1.00 . A A . 10 CYS SG 1 1 21 11802 1 1 11 THR C C -5.864 10.150 -0.582 1.00 . A A . 11 THR C 1 1 21 11803 1 1 11 THR CA C -6.700 9.976 0.688 1.00 . A A . 11 THR CA 1 1 21 11804 1 1 11 THR CB C -5.791 10.065 1.931 1.00 . A A . 11 THR CB 1 1 21 11805 1 1 11 THR CG2 C -5.327 11.496 2.181 1.00 . A A . 11 THR CG2 1 1 21 11806 1 1 11 THR H H -6.935 7.905 1.046 1.00 . A A . 11 THR H 1 1 21 11807 1 1 11 THR HA H -7.451 10.759 0.730 1.00 . A A . 11 THR HA 1 1 21 11808 1 1 11 THR HB H -4.915 9.443 1.791 1.00 . A A . 11 THR HB 1 1 21 11809 1 1 11 THR HG1 H -7.296 10.113 3.246 1.00 . A A . 11 THR HG1 1 1 21 11810 1 1 11 THR HG21 H -5.712 11.843 3.129 1.00 . A A . 11 THR HG21 1 1 21 11811 1 1 11 THR HG22 H -5.673 12.156 1.396 1.00 . A A . 11 THR HG22 1 1 21 11812 1 1 11 THR HG23 H -4.248 11.518 2.210 1.00 . A A . 11 THR HG23 1 1 21 11813 1 1 11 THR N N -7.373 8.686 0.630 1.00 . A A . 11 THR N 1 1 21 11814 1 1 11 THR O O -5.340 11.225 -0.872 1.00 . A A . 11 THR O 1 1 21 11815 1 1 11 THR OG1 O -6.503 9.584 3.083 1.00 . A A . 11 THR OG1 1 1 21 11816 1 1 12 GLY C C -3.989 8.014 -2.622 1.00 . A A . 12 GLY C 1 1 21 11817 1 1 12 GLY CA C -5.060 9.068 -2.593 1.00 . A A . 12 GLY CA 1 1 21 11818 1 1 12 GLY H H -6.174 8.223 -1.057 1.00 . A A . 12 GLY H 1 1 21 11819 1 1 12 GLY HA2 H -5.776 8.874 -3.380 1.00 . A A . 12 GLY HA2 1 1 21 11820 1 1 12 GLY HA3 H -4.600 10.032 -2.774 1.00 . A A . 12 GLY HA3 1 1 21 11821 1 1 12 GLY N N -5.756 9.060 -1.329 1.00 . A A . 12 GLY N 1 1 21 11822 1 1 12 GLY O O -3.222 7.897 -1.675 1.00 . A A . 12 GLY O 1 1 21 11823 1 1 13 SER C C -1.534 6.872 -3.844 1.00 . A A . 13 SER C 1 1 21 11824 1 1 13 SER CA C -2.906 6.208 -3.802 1.00 . A A . 13 SER CA 1 1 21 11825 1 1 13 SER CB C -3.154 5.343 -5.038 1.00 . A A . 13 SER CB 1 1 21 11826 1 1 13 SER H H -4.587 7.347 -4.417 1.00 . A A . 13 SER H 1 1 21 11827 1 1 13 SER HA H -2.956 5.577 -2.923 1.00 . A A . 13 SER HA 1 1 21 11828 1 1 13 SER HB2 H -2.252 4.813 -5.309 1.00 . A A . 13 SER HB2 1 1 21 11829 1 1 13 SER HB3 H -3.931 4.626 -4.814 1.00 . A A . 13 SER HB3 1 1 21 11830 1 1 13 SER HG H -2.812 6.540 -6.552 1.00 . A A . 13 SER HG 1 1 21 11831 1 1 13 SER N N -3.936 7.225 -3.684 1.00 . A A . 13 SER N 1 1 21 11832 1 1 13 SER O O -0.598 6.422 -3.183 1.00 . A A . 13 SER O 1 1 21 11833 1 1 13 SER OG O -3.576 6.133 -6.135 1.00 . A A . 13 SER OG 1 1 21 11834 1 1 14 LYS C C 0.207 9.186 -3.218 1.00 . A A . 14 LYS C 1 1 21 11835 1 1 14 LYS CA C -0.235 8.800 -4.627 1.00 . A A . 14 LYS CA 1 1 21 11836 1 1 14 LYS CB C -0.494 10.065 -5.455 1.00 . A A . 14 LYS CB 1 1 21 11837 1 1 14 LYS CD C -1.965 12.070 -5.877 1.00 . A A . 14 LYS CD 1 1 21 11838 1 1 14 LYS CE C -1.006 13.168 -5.447 1.00 . A A . 14 LYS CE 1 1 21 11839 1 1 14 LYS CG C -1.771 10.800 -5.066 1.00 . A A . 14 LYS CG 1 1 21 11840 1 1 14 LYS H H -2.239 8.267 -5.080 1.00 . A A . 14 LYS H 1 1 21 11841 1 1 14 LYS HA H 0.542 8.240 -5.096 1.00 . A A . 14 LYS HA 1 1 21 11842 1 1 14 LYS HB2 H 0.346 10.737 -5.346 1.00 . A A . 14 LYS HB2 1 1 21 11843 1 1 14 LYS HB3 H -0.574 9.780 -6.495 1.00 . A A . 14 LYS HB3 1 1 21 11844 1 1 14 LYS HD2 H -1.807 11.857 -6.926 1.00 . A A . 14 LYS HD2 1 1 21 11845 1 1 14 LYS HD3 H -2.977 12.419 -5.733 1.00 . A A . 14 LYS HD3 1 1 21 11846 1 1 14 LYS HE2 H 0.002 12.783 -5.417 1.00 . A A . 14 LYS HE2 1 1 21 11847 1 1 14 LYS HE3 H -1.055 13.964 -6.175 1.00 . A A . 14 LYS HE3 1 1 21 11848 1 1 14 LYS HG2 H -2.618 10.161 -5.248 1.00 . A A . 14 LYS HG2 1 1 21 11849 1 1 14 LYS HG3 H -1.731 11.046 -4.025 1.00 . A A . 14 LYS HG3 1 1 21 11850 1 1 14 LYS HZ1 H -1.170 13.023 -3.370 1.00 . A A . 14 LYS HZ1 1 1 21 11851 1 1 14 LYS HZ2 H -2.358 14.001 -4.074 1.00 . A A . 14 LYS HZ2 1 1 21 11852 1 1 14 LYS HZ3 H -0.773 14.569 -3.918 1.00 . A A . 14 LYS HZ3 1 1 21 11853 1 1 14 LYS N N -1.443 7.970 -4.592 1.00 . A A . 14 LYS N 1 1 21 11854 1 1 14 LYS NZ N -1.353 13.727 -4.110 1.00 . A A . 14 LYS NZ 1 1 21 11855 1 1 14 LYS O O 1.399 9.259 -2.922 1.00 . A A . 14 LYS O 1 1 21 11856 1 1 15 ASP C C -0.180 8.591 -0.131 1.00 . A A . 15 ASP C 1 1 21 11857 1 1 15 ASP CA C -0.512 9.807 -0.980 1.00 . A A . 15 ASP CA 1 1 21 11858 1 1 15 ASP CB C -1.724 10.545 -0.410 1.00 . A A . 15 ASP CB 1 1 21 11859 1 1 15 ASP CG C -1.784 11.982 -0.884 1.00 . A A . 15 ASP CG 1 1 21 11860 1 1 15 ASP H H -1.701 9.339 -2.648 1.00 . A A . 15 ASP H 1 1 21 11861 1 1 15 ASP HA H 0.347 10.472 -0.965 1.00 . A A . 15 ASP HA 1 1 21 11862 1 1 15 ASP HB2 H -2.629 10.048 -0.720 1.00 . A A . 15 ASP HB2 1 1 21 11863 1 1 15 ASP HB3 H -1.676 10.551 0.673 1.00 . A A . 15 ASP HB3 1 1 21 11864 1 1 15 ASP N N -0.770 9.416 -2.355 1.00 . A A . 15 ASP N 1 1 21 11865 1 1 15 ASP O O 0.727 8.630 0.696 1.00 . A A . 15 ASP O 1 1 21 11866 1 1 15 ASP OD1 O -2.144 12.214 -2.060 1.00 . A A . 15 ASP OD1 1 1 21 11867 1 1 15 ASP OD2 O -1.457 12.887 -0.088 1.00 . A A . 15 ASP OD2 1 1 21 11868 1 1 16 CYS C C 0.716 5.697 0.079 1.00 . A A . 16 CYS C 1 1 21 11869 1 1 16 CYS CA C -0.678 6.252 0.346 1.00 . A A . 16 CYS CA 1 1 21 11870 1 1 16 CYS CB C -1.724 5.203 -0.048 1.00 . A A . 16 CYS CB 1 1 21 11871 1 1 16 CYS H H -1.604 7.528 -1.055 1.00 . A A . 16 CYS H 1 1 21 11872 1 1 16 CYS HA H -0.768 6.450 1.406 1.00 . A A . 16 CYS HA 1 1 21 11873 1 1 16 CYS HB2 H -1.763 5.136 -1.123 1.00 . A A . 16 CYS HB2 1 1 21 11874 1 1 16 CYS HB3 H -1.436 4.238 0.353 1.00 . A A . 16 CYS HB3 1 1 21 11875 1 1 16 CYS N N -0.903 7.502 -0.365 1.00 . A A . 16 CYS N 1 1 21 11876 1 1 16 CYS O O 1.274 5.011 0.926 1.00 . A A . 16 CYS O 1 1 21 11877 1 1 16 CYS SG S -3.417 5.545 0.538 1.00 . A A . 16 CYS SG 1 1 21 11878 1 1 17 TYR C C 3.674 5.851 -0.447 1.00 . A A . 17 TYR C 1 1 21 11879 1 1 17 TYR CA C 2.595 5.481 -1.465 1.00 . A A . 17 TYR CA 1 1 21 11880 1 1 17 TYR CB C 3.009 5.986 -2.851 1.00 . A A . 17 TYR CB 1 1 21 11881 1 1 17 TYR CD1 C 1.442 4.282 -3.869 1.00 . A A . 17 TYR CD1 1 1 21 11882 1 1 17 TYR CD2 C 1.985 6.218 -5.149 1.00 . A A . 17 TYR CD2 1 1 21 11883 1 1 17 TYR CE1 C 0.636 3.827 -4.892 1.00 . A A . 17 TYR CE1 1 1 21 11884 1 1 17 TYR CE2 C 1.177 5.768 -6.175 1.00 . A A . 17 TYR CE2 1 1 21 11885 1 1 17 TYR CG C 2.131 5.483 -3.978 1.00 . A A . 17 TYR CG 1 1 21 11886 1 1 17 TYR CZ C 0.507 4.573 -6.039 1.00 . A A . 17 TYR CZ 1 1 21 11887 1 1 17 TYR H H 0.793 6.566 -1.731 1.00 . A A . 17 TYR H 1 1 21 11888 1 1 17 TYR HA H 2.534 4.406 -1.481 1.00 . A A . 17 TYR HA 1 1 21 11889 1 1 17 TYR HB2 H 2.974 7.066 -2.850 1.00 . A A . 17 TYR HB2 1 1 21 11890 1 1 17 TYR HB3 H 4.023 5.667 -3.062 1.00 . A A . 17 TYR HB3 1 1 21 11891 1 1 17 TYR HD1 H 1.534 3.681 -2.982 1.00 . A A . 17 TYR HD1 1 1 21 11892 1 1 17 TYR HD2 H 2.512 7.156 -5.255 1.00 . A A . 17 TYR HD2 1 1 21 11893 1 1 17 TYR HE1 H 0.114 2.905 -4.795 1.00 . A A . 17 TYR HE1 1 1 21 11894 1 1 17 TYR HE2 H 1.075 6.352 -7.078 1.00 . A A . 17 TYR HE2 1 1 21 11895 1 1 17 TYR HH H -1.093 4.665 -7.108 1.00 . A A . 17 TYR HH 1 1 21 11896 1 1 17 TYR N N 1.280 6.005 -1.085 1.00 . A A . 17 TYR N 1 1 21 11897 1 1 17 TYR O O 4.598 5.072 -0.210 1.00 . A A . 17 TYR O 1 1 21 11898 1 1 17 TYR OH O -0.301 4.123 -7.052 1.00 . A A . 17 TYR OH 1 1 21 11899 1 1 18 ALA C C 4.620 6.633 2.367 1.00 . A A . 18 ALA C 1 1 21 11900 1 1 18 ALA CA C 4.554 7.509 1.106 1.00 . A A . 18 ALA CA 1 1 21 11901 1 1 18 ALA CB C 4.313 8.976 1.459 1.00 . A A . 18 ALA CB 1 1 21 11902 1 1 18 ALA H H 2.786 7.609 -0.062 1.00 . A A . 18 ALA H 1 1 21 11903 1 1 18 ALA HA H 5.518 7.454 0.612 1.00 . A A . 18 ALA HA 1 1 21 11904 1 1 18 ALA HB1 H 5.088 9.578 1.007 1.00 . A A . 18 ALA HB1 1 1 21 11905 1 1 18 ALA HB2 H 4.338 9.120 2.532 1.00 . A A . 18 ALA HB2 1 1 21 11906 1 1 18 ALA HB3 H 3.354 9.302 1.083 1.00 . A A . 18 ALA HB3 1 1 21 11907 1 1 18 ALA N N 3.550 7.028 0.160 1.00 . A A . 18 ALA N 1 1 21 11908 1 1 18 ALA O O 5.649 6.001 2.621 1.00 . A A . 18 ALA O 1 1 21 11909 1 1 19 PRO C C 3.539 4.271 4.109 1.00 . A A . 19 PRO C 1 1 21 11910 1 1 19 PRO CA C 3.539 5.762 4.398 1.00 . A A . 19 PRO CA 1 1 21 11911 1 1 19 PRO CB C 2.241 6.175 5.112 1.00 . A A . 19 PRO CB 1 1 21 11912 1 1 19 PRO CD C 2.190 7.069 2.905 1.00 . A A . 19 PRO CD 1 1 21 11913 1 1 19 PRO CG C 1.663 7.278 4.289 1.00 . A A . 19 PRO CG 1 1 21 11914 1 1 19 PRO HA H 4.392 6.011 5.015 1.00 . A A . 19 PRO HA 1 1 21 11915 1 1 19 PRO HB2 H 1.553 5.340 5.177 1.00 . A A . 19 PRO HB2 1 1 21 11916 1 1 19 PRO HB3 H 2.478 6.521 6.107 1.00 . A A . 19 PRO HB3 1 1 21 11917 1 1 19 PRO HD2 H 1.571 6.378 2.401 1.00 . A A . 19 PRO HD2 1 1 21 11918 1 1 19 PRO HD3 H 2.223 7.999 2.388 1.00 . A A . 19 PRO HD3 1 1 21 11919 1 1 19 PRO HG2 H 0.586 7.214 4.294 1.00 . A A . 19 PRO HG2 1 1 21 11920 1 1 19 PRO HG3 H 1.986 8.234 4.674 1.00 . A A . 19 PRO HG3 1 1 21 11921 1 1 19 PRO N N 3.525 6.525 3.157 1.00 . A A . 19 PRO N 1 1 21 11922 1 1 19 PRO O O 4.021 3.474 4.904 1.00 . A A . 19 PRO O 1 1 21 11923 1 1 20 CYS C C 4.447 2.054 2.364 1.00 . A A . 20 CYS C 1 1 21 11924 1 1 20 CYS CA C 3.009 2.516 2.519 1.00 . A A . 20 CYS CA 1 1 21 11925 1 1 20 CYS CB C 2.255 2.356 1.198 1.00 . A A . 20 CYS CB 1 1 21 11926 1 1 20 CYS H H 2.626 4.569 2.347 1.00 . A A . 20 CYS H 1 1 21 11927 1 1 20 CYS HA H 2.526 1.916 3.281 1.00 . A A . 20 CYS HA 1 1 21 11928 1 1 20 CYS HB2 H 1.280 2.799 1.304 1.00 . A A . 20 CYS HB2 1 1 21 11929 1 1 20 CYS HB3 H 2.791 2.865 0.408 1.00 . A A . 20 CYS HB3 1 1 21 11930 1 1 20 CYS N N 2.997 3.902 2.955 1.00 . A A . 20 CYS N 1 1 21 11931 1 1 20 CYS O O 4.877 1.121 3.029 1.00 . A A . 20 CYS O 1 1 21 11932 1 1 20 CYS SG S 2.001 0.634 0.681 1.00 . A A . 20 CYS SG 1 1 21 11933 1 1 21 ARG C C 7.369 2.473 2.623 1.00 . A A . 21 ARG C 1 1 21 11934 1 1 21 ARG CA C 6.601 2.403 1.305 1.00 . A A . 21 ARG CA 1 1 21 11935 1 1 21 ARG CB C 7.213 3.342 0.251 1.00 . A A . 21 ARG CB 1 1 21 11936 1 1 21 ARG CD C 9.697 3.307 0.700 1.00 . A A . 21 ARG CD 1 1 21 11937 1 1 21 ARG CG C 8.586 2.920 -0.261 1.00 . A A . 21 ARG CG 1 1 21 11938 1 1 21 ARG CZ C 12.068 2.758 1.071 1.00 . A A . 21 ARG CZ 1 1 21 11939 1 1 21 ARG H H 4.817 3.522 1.049 1.00 . A A . 21 ARG H 1 1 21 11940 1 1 21 ARG HA H 6.639 1.386 0.934 1.00 . A A . 21 ARG HA 1 1 21 11941 1 1 21 ARG HB2 H 6.544 3.376 -0.590 1.00 . A A . 21 ARG HB2 1 1 21 11942 1 1 21 ARG HB3 H 7.286 4.340 0.666 1.00 . A A . 21 ARG HB3 1 1 21 11943 1 1 21 ARG HD2 H 9.763 4.383 0.734 1.00 . A A . 21 ARG HD2 1 1 21 11944 1 1 21 ARG HD3 H 9.476 2.940 1.674 1.00 . A A . 21 ARG HD3 1 1 21 11945 1 1 21 ARG HE H 11.071 2.406 -0.622 1.00 . A A . 21 ARG HE 1 1 21 11946 1 1 21 ARG HG2 H 8.600 1.859 -0.407 1.00 . A A . 21 ARG HG2 1 1 21 11947 1 1 21 ARG HG3 H 8.763 3.410 -1.208 1.00 . A A . 21 ARG HG3 1 1 21 11948 1 1 21 ARG HH11 H 11.172 3.667 2.659 1.00 . A A . 21 ARG HH11 1 1 21 11949 1 1 21 ARG HH12 H 12.827 3.244 2.880 1.00 . A A . 21 ARG HH12 1 1 21 11950 1 1 21 ARG HH21 H 13.250 1.873 -0.311 1.00 . A A . 21 ARG HH21 1 1 21 11951 1 1 21 ARG HH22 H 14.016 2.232 1.201 1.00 . A A . 21 ARG HH22 1 1 21 11952 1 1 21 ARG N N 5.206 2.750 1.527 1.00 . A A . 21 ARG N 1 1 21 11953 1 1 21 ARG NE N 10.993 2.774 0.290 1.00 . A A . 21 ARG NE 1 1 21 11954 1 1 21 ARG NH1 N 12.011 3.265 2.299 1.00 . A A . 21 ARG NH1 1 1 21 11955 1 1 21 ARG NH2 N 13.201 2.247 0.618 1.00 . A A . 21 ARG NH2 1 1 21 11956 1 1 21 ARG O O 8.157 1.584 2.936 1.00 . A A . 21 ARG O 1 1 21 11957 1 1 22 LYS C C 7.533 2.575 5.653 1.00 . A A . 22 LYS C 1 1 21 11958 1 1 22 LYS CA C 7.798 3.723 4.671 1.00 . A A . 22 LYS CA 1 1 21 11959 1 1 22 LYS CB C 7.366 5.052 5.298 1.00 . A A . 22 LYS CB 1 1 21 11960 1 1 22 LYS CD C 9.649 5.932 5.845 1.00 . A A . 22 LYS CD 1 1 21 11961 1 1 22 LYS CE C 10.635 6.284 6.945 1.00 . A A . 22 LYS CE 1 1 21 11962 1 1 22 LYS CG C 8.293 5.534 6.404 1.00 . A A . 22 LYS CG 1 1 21 11963 1 1 22 LYS H H 6.446 4.187 3.109 1.00 . A A . 22 LYS H 1 1 21 11964 1 1 22 LYS HA H 8.854 3.752 4.458 1.00 . A A . 22 LYS HA 1 1 21 11965 1 1 22 LYS HB2 H 7.334 5.809 4.525 1.00 . A A . 22 LYS HB2 1 1 21 11966 1 1 22 LYS HB3 H 6.372 4.946 5.713 1.00 . A A . 22 LYS HB3 1 1 21 11967 1 1 22 LYS HD2 H 10.064 5.117 5.275 1.00 . A A . 22 LYS HD2 1 1 21 11968 1 1 22 LYS HD3 H 9.523 6.792 5.204 1.00 . A A . 22 LYS HD3 1 1 21 11969 1 1 22 LYS HE2 H 11.528 6.686 6.490 1.00 . A A . 22 LYS HE2 1 1 21 11970 1 1 22 LYS HE3 H 10.196 7.033 7.590 1.00 . A A . 22 LYS HE3 1 1 21 11971 1 1 22 LYS HG2 H 7.846 6.393 6.884 1.00 . A A . 22 LYS HG2 1 1 21 11972 1 1 22 LYS HG3 H 8.419 4.740 7.126 1.00 . A A . 22 LYS HG3 1 1 21 11973 1 1 22 LYS HZ1 H 11.765 5.353 8.428 1.00 . A A . 22 LYS HZ1 1 1 21 11974 1 1 22 LYS HZ2 H 11.350 4.326 7.151 1.00 . A A . 22 LYS HZ2 1 1 21 11975 1 1 22 LYS HZ3 H 10.188 4.760 8.303 1.00 . A A . 22 LYS HZ3 1 1 21 11976 1 1 22 LYS N N 7.106 3.516 3.404 1.00 . A A . 22 LYS N 1 1 21 11977 1 1 22 LYS NZ N 11.008 5.098 7.761 1.00 . A A . 22 LYS NZ 1 1 21 11978 1 1 22 LYS O O 8.403 2.218 6.448 1.00 . A A . 22 LYS O 1 1 21 11979 1 1 23 GLN C C 6.248 -0.442 5.926 1.00 . A A . 23 GLN C 1 1 21 11980 1 1 23 GLN CA C 5.951 0.933 6.514 1.00 . A A . 23 GLN CA 1 1 21 11981 1 1 23 GLN CB C 4.461 1.015 6.856 1.00 . A A . 23 GLN CB 1 1 21 11982 1 1 23 GLN CD C 2.564 2.357 7.819 1.00 . A A . 23 GLN CD 1 1 21 11983 1 1 23 GLN CG C 4.065 2.258 7.631 1.00 . A A . 23 GLN CG 1 1 21 11984 1 1 23 GLN H H 5.666 2.330 4.950 1.00 . A A . 23 GLN H 1 1 21 11985 1 1 23 GLN HA H 6.516 1.039 7.433 1.00 . A A . 23 GLN HA 1 1 21 11986 1 1 23 GLN HB2 H 3.896 0.997 5.934 1.00 . A A . 23 GLN HB2 1 1 21 11987 1 1 23 GLN HB3 H 4.185 0.151 7.451 1.00 . A A . 23 GLN HB3 1 1 21 11988 1 1 23 GLN HE21 H 2.369 3.378 6.130 1.00 . A A . 23 GLN HE21 1 1 21 11989 1 1 23 GLN HE22 H 0.917 3.073 6.990 1.00 . A A . 23 GLN HE22 1 1 21 11990 1 1 23 GLN HG2 H 4.529 2.212 8.605 1.00 . A A . 23 GLN HG2 1 1 21 11991 1 1 23 GLN HG3 H 4.418 3.135 7.116 1.00 . A A . 23 GLN HG3 1 1 21 11992 1 1 23 GLN N N 6.332 2.007 5.600 1.00 . A A . 23 GLN N 1 1 21 11993 1 1 23 GLN NE2 N 1.889 3.001 6.883 1.00 . A A . 23 GLN NE2 1 1 21 11994 1 1 23 GLN O O 7.021 -1.214 6.489 1.00 . A A . 23 GLN O 1 1 21 11995 1 1 23 GLN OE1 O 2.017 1.853 8.796 1.00 . A A . 23 GLN OE1 1 1 21 11996 1 1 24 THR C C 6.817 -2.253 3.236 1.00 . A A . 24 THR C 1 1 21 11997 1 1 24 THR CA C 5.676 -2.086 4.243 1.00 . A A . 24 THR CA 1 1 21 11998 1 1 24 THR CB C 4.323 -2.470 3.592 1.00 . A A . 24 THR CB 1 1 21 11999 1 1 24 THR CG2 C 4.012 -1.596 2.383 1.00 . A A . 24 THR CG2 1 1 21 12000 1 1 24 THR H H 5.027 -0.082 4.387 1.00 . A A . 24 THR H 1 1 21 12001 1 1 24 THR HA H 5.853 -2.782 5.056 1.00 . A A . 24 THR HA 1 1 21 12002 1 1 24 THR HB H 3.535 -2.319 4.320 1.00 . A A . 24 THR HB 1 1 21 12003 1 1 24 THR HG1 H 3.568 -4.303 3.591 1.00 . A A . 24 THR HG1 1 1 21 12004 1 1 24 THR HG21 H 4.911 -1.267 1.883 1.00 . A A . 24 THR HG21 1 1 21 12005 1 1 24 THR HG22 H 3.458 -0.740 2.719 1.00 . A A . 24 THR HG22 1 1 21 12006 1 1 24 THR HG23 H 3.403 -2.156 1.687 1.00 . A A . 24 THR HG23 1 1 21 12007 1 1 24 THR N N 5.631 -0.744 4.795 1.00 . A A . 24 THR N 1 1 21 12008 1 1 24 THR O O 7.055 -3.352 2.749 1.00 . A A . 24 THR O 1 1 21 12009 1 1 24 THR OG1 O 4.321 -3.852 3.199 1.00 . A A . 24 THR OG1 1 1 21 12010 1 1 25 GLY C C 8.403 -0.978 0.609 1.00 . A A . 25 GLY C 1 1 21 12011 1 1 25 GLY CA C 8.693 -1.283 2.068 1.00 . A A . 25 GLY CA 1 1 21 12012 1 1 25 GLY H H 7.318 -0.301 3.326 1.00 . A A . 25 GLY H 1 1 21 12013 1 1 25 GLY HA2 H 9.433 -0.578 2.416 1.00 . A A . 25 GLY HA2 1 1 21 12014 1 1 25 GLY HA3 H 9.118 -2.278 2.138 1.00 . A A . 25 GLY HA3 1 1 21 12015 1 1 25 GLY N N 7.525 -1.171 2.925 1.00 . A A . 25 GLY N 1 1 21 12016 1 1 25 GLY O O 9.181 -0.290 -0.055 1.00 . A A . 25 GLY O 1 1 21 12017 1 1 26 CYS C C 5.827 -0.261 -1.444 1.00 . A A . 26 CYS C 1 1 21 12018 1 1 26 CYS CA C 6.933 -1.300 -1.299 1.00 . A A . 26 CYS CA 1 1 21 12019 1 1 26 CYS CB C 6.508 -2.627 -1.938 1.00 . A A . 26 CYS CB 1 1 21 12020 1 1 26 CYS H H 6.704 -2.034 0.661 1.00 . A A . 26 CYS H 1 1 21 12021 1 1 26 CYS HA H 7.815 -0.954 -1.815 1.00 . A A . 26 CYS HA 1 1 21 12022 1 1 26 CYS HB2 H 5.882 -3.153 -1.260 1.00 . A A . 26 CYS HB2 1 1 21 12023 1 1 26 CYS HB3 H 5.950 -2.430 -2.846 1.00 . A A . 26 CYS HB3 1 1 21 12024 1 1 26 CYS N N 7.294 -1.492 0.102 1.00 . A A . 26 CYS N 1 1 21 12025 1 1 26 CYS O O 4.833 -0.289 -0.724 1.00 . A A . 26 CYS O 1 1 21 12026 1 1 26 CYS SG S 7.898 -3.723 -2.395 1.00 . A A . 26 CYS SG 1 1 21 12027 1 1 27 PRO C C 3.910 1.384 -3.568 1.00 . A A . 27 PRO C 1 1 21 12028 1 1 27 PRO CA C 5.055 1.776 -2.632 1.00 . A A . 27 PRO CA 1 1 21 12029 1 1 27 PRO CB C 5.948 2.800 -3.321 1.00 . A A . 27 PRO CB 1 1 21 12030 1 1 27 PRO CD C 7.167 0.763 -3.294 1.00 . A A . 27 PRO CD 1 1 21 12031 1 1 27 PRO CG C 6.834 1.949 -4.156 1.00 . A A . 27 PRO CG 1 1 21 12032 1 1 27 PRO HA H 4.659 2.192 -1.717 1.00 . A A . 27 PRO HA 1 1 21 12033 1 1 27 PRO HB2 H 5.369 3.493 -3.918 1.00 . A A . 27 PRO HB2 1 1 21 12034 1 1 27 PRO HB3 H 6.516 3.346 -2.590 1.00 . A A . 27 PRO HB3 1 1 21 12035 1 1 27 PRO HD2 H 7.258 -0.130 -3.895 1.00 . A A . 27 PRO HD2 1 1 21 12036 1 1 27 PRO HD3 H 8.076 0.947 -2.742 1.00 . A A . 27 PRO HD3 1 1 21 12037 1 1 27 PRO HG2 H 6.315 1.635 -5.052 1.00 . A A . 27 PRO HG2 1 1 21 12038 1 1 27 PRO HG3 H 7.733 2.491 -4.410 1.00 . A A . 27 PRO HG3 1 1 21 12039 1 1 27 PRO N N 6.003 0.678 -2.385 1.00 . A A . 27 PRO N 1 1 21 12040 1 1 27 PRO O O 3.478 2.174 -4.403 1.00 . A A . 27 PRO O 1 1 21 12041 1 1 28 ASN C C 1.076 -0.458 -3.397 1.00 . A A . 28 ASN C 1 1 21 12042 1 1 28 ASN CA C 2.323 -0.311 -4.261 1.00 . A A . 28 ASN CA 1 1 21 12043 1 1 28 ASN CB C 2.650 -1.636 -4.962 1.00 . A A . 28 ASN CB 1 1 21 12044 1 1 28 ASN CG C 3.453 -1.451 -6.241 1.00 . A A . 28 ASN CG 1 1 21 12045 1 1 28 ASN H H 3.831 -0.464 -2.809 1.00 . A A . 28 ASN H 1 1 21 12046 1 1 28 ASN HA H 2.107 0.430 -5.027 1.00 . A A . 28 ASN HA 1 1 21 12047 1 1 28 ASN HB2 H 3.221 -2.262 -4.294 1.00 . A A . 28 ASN HB2 1 1 21 12048 1 1 28 ASN HB3 H 1.740 -2.144 -5.225 1.00 . A A . 28 ASN HB3 1 1 21 12049 1 1 28 ASN HD21 H 4.215 0.289 -5.636 1.00 . A A . 28 ASN HD21 1 1 21 12050 1 1 28 ASN HD22 H 4.700 -0.240 -7.165 1.00 . A A . 28 ASN HD22 1 1 21 12051 1 1 28 ASN N N 3.454 0.153 -3.461 1.00 . A A . 28 ASN N 1 1 21 12052 1 1 28 ASN ND2 N 4.188 -0.353 -6.337 1.00 . A A . 28 ASN ND2 1 1 21 12053 1 1 28 ASN O O 0.925 -1.433 -2.656 1.00 . A A . 28 ASN O 1 1 21 12054 1 1 28 ASN OD1 O 3.395 -2.280 -7.150 1.00 . A A . 28 ASN OD1 1 1 21 12055 1 1 29 ALA C C -2.186 1.113 -3.546 1.00 . A A . 29 ALA C 1 1 21 12056 1 1 29 ALA CA C -1.043 0.546 -2.716 1.00 . A A . 29 ALA CA 1 1 21 12057 1 1 29 ALA CB C -0.858 1.367 -1.452 1.00 . A A . 29 ALA CB 1 1 21 12058 1 1 29 ALA H H 0.377 1.272 -4.088 1.00 . A A . 29 ALA H 1 1 21 12059 1 1 29 ALA HA H -1.297 -0.466 -2.431 1.00 . A A . 29 ALA HA 1 1 21 12060 1 1 29 ALA HB1 H -1.282 0.832 -0.619 1.00 . A A . 29 ALA HB1 1 1 21 12061 1 1 29 ALA HB2 H -1.351 2.328 -1.544 1.00 . A A . 29 ALA HB2 1 1 21 12062 1 1 29 ALA HB3 H 0.188 1.533 -1.275 1.00 . A A . 29 ALA HB3 1 1 21 12063 1 1 29 ALA N N 0.191 0.529 -3.492 1.00 . A A . 29 ALA N 1 1 21 12064 1 1 29 ALA O O -1.963 1.925 -4.444 1.00 . A A . 29 ALA O 1 1 21 12065 1 1 30 LYS C C -5.758 1.248 -2.994 1.00 . A A . 30 LYS C 1 1 21 12066 1 1 30 LYS CA C -4.581 1.152 -3.957 1.00 . A A . 30 LYS CA 1 1 21 12067 1 1 30 LYS CB C -4.916 0.189 -5.098 1.00 . A A . 30 LYS CB 1 1 21 12068 1 1 30 LYS CD C -6.344 -0.328 -7.088 1.00 . A A . 30 LYS CD 1 1 21 12069 1 1 30 LYS CE C -7.174 0.269 -8.214 1.00 . A A . 30 LYS CE 1 1 21 12070 1 1 30 LYS CG C -5.959 0.722 -6.062 1.00 . A A . 30 LYS CG 1 1 21 12071 1 1 30 LYS H H -3.515 0.029 -2.515 1.00 . A A . 30 LYS H 1 1 21 12072 1 1 30 LYS HA H -4.381 2.138 -4.366 1.00 . A A . 30 LYS HA 1 1 21 12073 1 1 30 LYS HB2 H -4.011 -0.006 -5.659 1.00 . A A . 30 LYS HB2 1 1 21 12074 1 1 30 LYS HB3 H -5.274 -0.745 -4.680 1.00 . A A . 30 LYS HB3 1 1 21 12075 1 1 30 LYS HD2 H -5.448 -0.760 -7.515 1.00 . A A . 30 LYS HD2 1 1 21 12076 1 1 30 LYS HD3 H -6.921 -1.099 -6.599 1.00 . A A . 30 LYS HD3 1 1 21 12077 1 1 30 LYS HE2 H -7.509 -0.532 -8.857 1.00 . A A . 30 LYS HE2 1 1 21 12078 1 1 30 LYS HE3 H -8.034 0.773 -7.794 1.00 . A A . 30 LYS HE3 1 1 21 12079 1 1 30 LYS HG2 H -6.842 1.009 -5.509 1.00 . A A . 30 LYS HG2 1 1 21 12080 1 1 30 LYS HG3 H -5.547 1.585 -6.564 1.00 . A A . 30 LYS HG3 1 1 21 12081 1 1 30 LYS HZ1 H -5.471 0.829 -9.302 1.00 . A A . 30 LYS HZ1 1 1 21 12082 1 1 30 LYS HZ2 H -6.222 2.107 -8.484 1.00 . A A . 30 LYS HZ2 1 1 21 12083 1 1 30 LYS HZ3 H -6.917 1.482 -9.887 1.00 . A A . 30 LYS HZ3 1 1 21 12084 1 1 30 LYS N N -3.402 0.685 -3.244 1.00 . A A . 30 LYS N 1 1 21 12085 1 1 30 LYS NZ N -6.390 1.237 -9.024 1.00 . A A . 30 LYS NZ 1 1 21 12086 1 1 30 LYS O O -5.948 0.365 -2.156 1.00 . A A . 30 LYS O 1 1 21 12087 1 1 31 CYS C C -8.941 1.911 -2.867 1.00 . A A . 31 CYS C 1 1 21 12088 1 1 31 CYS CA C -7.683 2.458 -2.203 1.00 . A A . 31 CYS CA 1 1 21 12089 1 1 31 CYS CB C -7.869 3.921 -1.754 1.00 . A A . 31 CYS CB 1 1 21 12090 1 1 31 CYS H H -6.364 3.003 -3.772 1.00 . A A . 31 CYS H 1 1 21 12091 1 1 31 CYS HA H -7.498 1.876 -1.336 1.00 . A A . 31 CYS HA 1 1 21 12092 1 1 31 CYS HB2 H -8.314 3.925 -0.773 1.00 . A A . 31 CYS HB2 1 1 21 12093 1 1 31 CYS HB3 H -6.901 4.389 -1.690 1.00 . A A . 31 CYS HB3 1 1 21 12094 1 1 31 CYS N N -6.545 2.311 -3.093 1.00 . A A . 31 CYS N 1 1 21 12095 1 1 31 CYS O O -9.346 2.351 -3.944 1.00 . A A . 31 CYS O 1 1 21 12096 1 1 31 CYS SG S -8.893 4.966 -2.845 1.00 . A A . 31 CYS SG 1 1 21 12097 1 1 32 ILE C C -11.731 0.129 -1.585 1.00 . A A . 32 ILE C 1 1 21 12098 1 1 32 ILE CA C -10.736 0.287 -2.724 1.00 . A A . 32 ILE CA 1 1 21 12099 1 1 32 ILE CB C -10.454 -1.087 -3.394 1.00 . A A . 32 ILE CB 1 1 21 12100 1 1 32 ILE CD1 C -9.162 -2.207 -1.466 1.00 . A A . 32 ILE CD1 1 1 21 12101 1 1 32 ILE CG1 C -9.133 -1.708 -2.898 1.00 . A A . 32 ILE CG1 1 1 21 12102 1 1 32 ILE CG2 C -10.429 -0.938 -4.909 1.00 . A A . 32 ILE CG2 1 1 21 12103 1 1 32 ILE H H -9.134 0.583 -1.396 1.00 . A A . 32 ILE H 1 1 21 12104 1 1 32 ILE HA H -11.186 0.945 -3.465 1.00 . A A . 32 ILE HA 1 1 21 12105 1 1 32 ILE HB H -11.266 -1.766 -3.160 1.00 . A A . 32 ILE HB 1 1 21 12106 1 1 32 ILE HD11 H -8.252 -2.752 -1.260 1.00 . A A . 32 ILE HD11 1 1 21 12107 1 1 32 ILE HD12 H -10.009 -2.863 -1.330 1.00 . A A . 32 ILE HD12 1 1 21 12108 1 1 32 ILE HD13 H -9.241 -1.383 -0.790 1.00 . A A . 32 ILE HD13 1 1 21 12109 1 1 32 ILE HG12 H -8.898 -2.566 -3.516 1.00 . A A . 32 ILE HG12 1 1 21 12110 1 1 32 ILE HG13 H -8.329 -0.994 -2.989 1.00 . A A . 32 ILE HG13 1 1 21 12111 1 1 32 ILE HG21 H -11.373 -0.537 -5.249 1.00 . A A . 32 ILE HG21 1 1 21 12112 1 1 32 ILE HG22 H -10.268 -1.904 -5.367 1.00 . A A . 32 ILE HG22 1 1 21 12113 1 1 32 ILE HG23 H -9.631 -0.268 -5.195 1.00 . A A . 32 ILE HG23 1 1 21 12114 1 1 32 ILE N N -9.524 0.913 -2.235 1.00 . A A . 32 ILE N 1 1 21 12115 1 1 32 ILE O O -11.365 -0.315 -0.498 1.00 . A A . 32 ILE O 1 1 21 12116 1 1 33 ASN C C -13.613 1.380 0.389 1.00 . A A . 33 ASN C 1 1 21 12117 1 1 33 ASN CA C -14.015 0.512 -0.799 1.00 . A A . 33 ASN CA 1 1 21 12118 1 1 33 ASN CB C -14.295 -0.925 -0.334 1.00 . A A . 33 ASN CB 1 1 21 12119 1 1 33 ASN CG C -14.833 -1.821 -1.437 1.00 . A A . 33 ASN CG 1 1 21 12120 1 1 33 ASN H H -13.194 0.931 -2.700 1.00 . A A . 33 ASN H 1 1 21 12121 1 1 33 ASN HA H -14.914 0.923 -1.235 1.00 . A A . 33 ASN HA 1 1 21 12122 1 1 33 ASN HB2 H -13.388 -1.366 0.042 1.00 . A A . 33 ASN HB2 1 1 21 12123 1 1 33 ASN HB3 H -15.025 -0.901 0.466 1.00 . A A . 33 ASN HB3 1 1 21 12124 1 1 33 ASN HD21 H -16.712 -1.315 -0.986 1.00 . A A . 33 ASN HD21 1 1 21 12125 1 1 33 ASN HD22 H -16.512 -2.430 -2.290 1.00 . A A . 33 ASN HD22 1 1 21 12126 1 1 33 ASN N N -12.969 0.547 -1.823 1.00 . A A . 33 ASN N 1 1 21 12127 1 1 33 ASN ND2 N -16.148 -1.857 -1.583 1.00 . A A . 33 ASN ND2 1 1 21 12128 1 1 33 ASN O O -13.881 1.041 1.542 1.00 . A A . 33 ASN O 1 1 21 12129 1 1 33 ASN OD1 O -14.073 -2.480 -2.150 1.00 . A A . 33 ASN OD1 1 1 21 12130 1 1 34 LYS C C -11.321 2.831 1.925 1.00 . A A . 34 LYS C 1 1 21 12131 1 1 34 LYS CA C -12.442 3.438 1.082 1.00 . A A . 34 LYS CA 1 1 21 12132 1 1 34 LYS CB C -13.571 3.954 1.984 1.00 . A A . 34 LYS CB 1 1 21 12133 1 1 34 LYS CD C -13.918 6.097 0.709 1.00 . A A . 34 LYS CD 1 1 21 12134 1 1 34 LYS CE C -14.925 6.975 -0.019 1.00 . A A . 34 LYS CE 1 1 21 12135 1 1 34 LYS CG C -14.573 4.842 1.263 1.00 . A A . 34 LYS CG 1 1 21 12136 1 1 34 LYS H H -12.755 2.701 -0.861 1.00 . A A . 34 LYS H 1 1 21 12137 1 1 34 LYS HA H -12.015 4.262 0.548 1.00 . A A . 34 LYS HA 1 1 21 12138 1 1 34 LYS HB2 H -14.105 3.125 2.411 1.00 . A A . 34 LYS HB2 1 1 21 12139 1 1 34 LYS HB3 H -13.141 4.533 2.791 1.00 . A A . 34 LYS HB3 1 1 21 12140 1 1 34 LYS HD2 H -13.489 6.662 1.523 1.00 . A A . 34 LYS HD2 1 1 21 12141 1 1 34 LYS HD3 H -13.143 5.824 0.011 1.00 . A A . 34 LYS HD3 1 1 21 12142 1 1 34 LYS HE2 H -14.404 7.824 -0.435 1.00 . A A . 34 LYS HE2 1 1 21 12143 1 1 34 LYS HE3 H -15.374 6.405 -0.821 1.00 . A A . 34 LYS HE3 1 1 21 12144 1 1 34 LYS HG2 H -15.010 4.283 0.448 1.00 . A A . 34 LYS HG2 1 1 21 12145 1 1 34 LYS HG3 H -15.346 5.125 1.963 1.00 . A A . 34 LYS HG3 1 1 21 12146 1 1 34 LYS HZ1 H -16.573 8.184 0.394 1.00 . A A . 34 LYS HZ1 1 1 21 12147 1 1 34 LYS HZ2 H -15.590 7.904 1.740 1.00 . A A . 34 LYS HZ2 1 1 21 12148 1 1 34 LYS HZ3 H -16.619 6.685 1.172 1.00 . A A . 34 LYS HZ3 1 1 21 12149 1 1 34 LYS N N -12.945 2.494 0.080 1.00 . A A . 34 LYS N 1 1 21 12150 1 1 34 LYS NZ N -15.999 7.469 0.886 1.00 . A A . 34 LYS NZ 1 1 21 12151 1 1 34 LYS O O -10.928 3.390 2.946 1.00 . A A . 34 LYS O 1 1 21 12152 1 1 35 SER C C -8.428 1.167 1.282 1.00 . A A . 35 SER C 1 1 21 12153 1 1 35 SER CA C -9.672 1.070 2.159 1.00 . A A . 35 SER CA 1 1 21 12154 1 1 35 SER CB C -9.995 -0.395 2.468 1.00 . A A . 35 SER CB 1 1 21 12155 1 1 35 SER H H -11.113 1.290 0.669 1.00 . A A . 35 SER H 1 1 21 12156 1 1 35 SER HA H -9.480 1.579 3.098 1.00 . A A . 35 SER HA 1 1 21 12157 1 1 35 SER HB2 H -10.839 -0.440 3.139 1.00 . A A . 35 SER HB2 1 1 21 12158 1 1 35 SER HB3 H -10.238 -0.910 1.553 1.00 . A A . 35 SER HB3 1 1 21 12159 1 1 35 SER HG H -9.181 -1.899 3.428 1.00 . A A . 35 SER HG 1 1 21 12160 1 1 35 SER N N -10.800 1.696 1.489 1.00 . A A . 35 SER N 1 1 21 12161 1 1 35 SER O O -8.361 0.544 0.224 1.00 . A A . 35 SER O 1 1 21 12162 1 1 35 SER OG O -8.895 -1.052 3.079 1.00 . A A . 35 SER OG 1 1 21 12163 1 1 36 CYS C C -5.299 0.935 1.320 1.00 . A A . 36 CYS C 1 1 21 12164 1 1 36 CYS CA C -6.218 2.086 0.941 1.00 . A A . 36 CYS CA 1 1 21 12165 1 1 36 CYS CB C -5.533 3.435 1.190 1.00 . A A . 36 CYS CB 1 1 21 12166 1 1 36 CYS H H -7.560 2.470 2.540 1.00 . A A . 36 CYS H 1 1 21 12167 1 1 36 CYS HA H -6.441 2.003 -0.095 1.00 . A A . 36 CYS HA 1 1 21 12168 1 1 36 CYS HB2 H -6.291 4.193 1.336 1.00 . A A . 36 CYS HB2 1 1 21 12169 1 1 36 CYS HB3 H -4.912 3.388 2.075 1.00 . A A . 36 CYS HB3 1 1 21 12170 1 1 36 CYS N N -7.458 1.970 1.696 1.00 . A A . 36 CYS N 1 1 21 12171 1 1 36 CYS O O -4.590 0.991 2.325 1.00 . A A . 36 CYS O 1 1 21 12172 1 1 36 CYS SG S -4.485 3.983 -0.200 1.00 . A A . 36 CYS SG 1 1 21 12173 1 1 37 LYS C C -3.333 -1.454 0.096 1.00 . A A . 37 LYS C 1 1 21 12174 1 1 37 LYS CA C -4.653 -1.349 0.844 1.00 . A A . 37 LYS CA 1 1 21 12175 1 1 37 LYS CB C -5.534 -2.553 0.501 1.00 . A A . 37 LYS CB 1 1 21 12176 1 1 37 LYS CD C -5.757 -5.055 0.428 1.00 . A A . 37 LYS CD 1 1 21 12177 1 1 37 LYS CE C -5.512 -5.221 -1.064 1.00 . A A . 37 LYS CE 1 1 21 12178 1 1 37 LYS CG C -4.977 -3.882 0.992 1.00 . A A . 37 LYS CG 1 1 21 12179 1 1 37 LYS H H -5.944 -0.103 -0.265 1.00 . A A . 37 LYS H 1 1 21 12180 1 1 37 LYS HA H -4.462 -1.368 1.913 1.00 . A A . 37 LYS HA 1 1 21 12181 1 1 37 LYS HB2 H -6.503 -2.408 0.959 1.00 . A A . 37 LYS HB2 1 1 21 12182 1 1 37 LYS HB3 H -5.659 -2.588 -0.569 1.00 . A A . 37 LYS HB3 1 1 21 12183 1 1 37 LYS HD2 H -5.441 -5.956 0.933 1.00 . A A . 37 LYS HD2 1 1 21 12184 1 1 37 LYS HD3 H -6.815 -4.901 0.598 1.00 . A A . 37 LYS HD3 1 1 21 12185 1 1 37 LYS HE2 H -5.769 -4.309 -1.578 1.00 . A A . 37 LYS HE2 1 1 21 12186 1 1 37 LYS HE3 H -4.466 -5.441 -1.223 1.00 . A A . 37 LYS HE3 1 1 21 12187 1 1 37 LYS HG2 H -3.942 -3.976 0.699 1.00 . A A . 37 LYS HG2 1 1 21 12188 1 1 37 LYS HG3 H -5.046 -3.907 2.070 1.00 . A A . 37 LYS HG3 1 1 21 12189 1 1 37 LYS HZ1 H -6.134 -6.406 -2.659 1.00 . A A . 37 LYS HZ1 1 1 21 12190 1 1 37 LYS HZ2 H -7.340 -6.130 -1.507 1.00 . A A . 37 LYS HZ2 1 1 21 12191 1 1 37 LYS HZ3 H -6.089 -7.225 -1.180 1.00 . A A . 37 LYS HZ3 1 1 21 12192 1 1 37 LYS N N -5.343 -0.116 0.519 1.00 . A A . 37 LYS N 1 1 21 12193 1 1 37 LYS NZ N -6.325 -6.321 -1.640 1.00 . A A . 37 LYS NZ 1 1 21 12194 1 1 37 LYS O O -3.284 -1.318 -1.130 1.00 . A A . 37 LYS O 1 1 21 12195 1 1 38 CYS C C -0.917 -3.426 -0.157 1.00 . A A . 38 CYS C 1 1 21 12196 1 1 38 CYS CA C -0.971 -1.965 0.261 1.00 . A A . 38 CYS CA 1 1 21 12197 1 1 38 CYS CB C 0.145 -1.675 1.266 1.00 . A A . 38 CYS CB 1 1 21 12198 1 1 38 CYS H H -2.373 -1.760 1.822 1.00 . A A . 38 CYS H 1 1 21 12199 1 1 38 CYS HA H -0.830 -1.339 -0.609 1.00 . A A . 38 CYS HA 1 1 21 12200 1 1 38 CYS HB2 H -0.069 -2.207 2.182 1.00 . A A . 38 CYS HB2 1 1 21 12201 1 1 38 CYS HB3 H 1.088 -2.028 0.869 1.00 . A A . 38 CYS HB3 1 1 21 12202 1 1 38 CYS N N -2.267 -1.675 0.844 1.00 . A A . 38 CYS N 1 1 21 12203 1 1 38 CYS O O -1.508 -4.285 0.499 1.00 . A A . 38 CYS O 1 1 21 12204 1 1 38 CYS SG S 0.332 0.083 1.694 1.00 . A A . 38 CYS SG 1 1 21 12205 1 1 39 TYR C C 1.085 -5.767 -1.010 1.00 . A A . 39 TYR C 1 1 21 12206 1 1 39 TYR CA C -0.077 -5.080 -1.721 1.00 . A A . 39 TYR CA 1 1 21 12207 1 1 39 TYR CB C 0.148 -5.110 -3.232 1.00 . A A . 39 TYR CB 1 1 21 12208 1 1 39 TYR CD1 C -2.228 -5.199 -4.077 1.00 . A A . 39 TYR CD1 1 1 21 12209 1 1 39 TYR CD2 C -0.859 -3.377 -4.766 1.00 . A A . 39 TYR CD2 1 1 21 12210 1 1 39 TYR CE1 C -3.278 -4.693 -4.818 1.00 . A A . 39 TYR CE1 1 1 21 12211 1 1 39 TYR CE2 C -1.904 -2.867 -5.512 1.00 . A A . 39 TYR CE2 1 1 21 12212 1 1 39 TYR CG C -1.003 -4.549 -4.038 1.00 . A A . 39 TYR CG 1 1 21 12213 1 1 39 TYR CZ C -3.112 -3.530 -5.534 1.00 . A A . 39 TYR CZ 1 1 21 12214 1 1 39 TYR H H 0.228 -2.981 -1.741 1.00 . A A . 39 TYR H 1 1 21 12215 1 1 39 TYR HA H -0.988 -5.626 -1.498 1.00 . A A . 39 TYR HA 1 1 21 12216 1 1 39 TYR HB2 H 1.040 -4.542 -3.465 1.00 . A A . 39 TYR HB2 1 1 21 12217 1 1 39 TYR HB3 H 0.298 -6.136 -3.547 1.00 . A A . 39 TYR HB3 1 1 21 12218 1 1 39 TYR HD1 H -2.361 -6.113 -3.514 1.00 . A A . 39 TYR HD1 1 1 21 12219 1 1 39 TYR HD2 H 0.078 -2.859 -4.743 1.00 . A A . 39 TYR HD2 1 1 21 12220 1 1 39 TYR HE1 H -4.225 -5.213 -4.835 1.00 . A A . 39 TYR HE1 1 1 21 12221 1 1 39 TYR HE2 H -1.772 -1.953 -6.072 1.00 . A A . 39 TYR HE2 1 1 21 12222 1 1 39 TYR HH H -4.105 -3.378 -7.173 1.00 . A A . 39 TYR HH 1 1 21 12223 1 1 39 TYR N N -0.223 -3.709 -1.249 1.00 . A A . 39 TYR N 1 1 21 12224 1 1 39 TYR O O 1.492 -6.871 -1.377 1.00 . A A . 39 TYR O 1 1 21 12225 1 1 39 TYR OH O -4.157 -3.033 -6.279 1.00 . A A . 39 TYR OH 1 1 21 12226 1 1 40 GLY C C 4.040 -5.310 0.024 1.00 . A A . 40 GLY C 1 1 21 12227 1 1 40 GLY CA C 2.743 -5.626 0.735 1.00 . A A . 40 GLY CA 1 1 21 12228 1 1 40 GLY H H 1.266 -4.242 0.283 1.00 . A A . 40 GLY H 1 1 21 12229 1 1 40 GLY HA2 H 2.764 -5.172 1.716 1.00 . A A . 40 GLY HA2 1 1 21 12230 1 1 40 GLY HA3 H 2.649 -6.700 0.850 1.00 . A A . 40 GLY HA3 1 1 21 12231 1 1 40 GLY N N 1.605 -5.108 0.013 1.00 . A A . 40 GLY N 1 1 21 12232 1 1 40 GLY O O 4.148 -4.281 -0.646 1.00 . A A . 40 GLY O 1 1 21 12233 1 1 41 CYS C C 7.022 -7.341 -0.572 1.00 . A A . 41 CYS C 1 1 21 12234 1 1 41 CYS CA C 6.299 -6.007 -0.502 1.00 . A A . 41 CYS CA 1 1 21 12235 1 1 41 CYS CB C 7.138 -4.981 0.259 1.00 . A A . 41 CYS CB 1 1 21 12236 1 1 41 CYS H H 4.869 -6.998 0.703 1.00 . A A . 41 CYS H 1 1 21 12237 1 1 41 CYS HA H 6.114 -5.665 -1.508 1.00 . A A . 41 CYS HA 1 1 21 12238 1 1 41 CYS HB2 H 6.528 -4.121 0.463 1.00 . A A . 41 CYS HB2 1 1 21 12239 1 1 41 CYS HB3 H 7.461 -5.403 1.202 1.00 . A A . 41 CYS HB3 1 1 21 12240 1 1 41 CYS N N 5.018 -6.189 0.155 1.00 . A A . 41 CYS N 1 1 21 12241 1 1 41 CYS O O 7.731 -7.690 0.396 1.00 . A A . 41 CYS O 1 1 21 12242 1 1 41 CYS OXT O 6.850 -8.058 -1.576 1.00 . A A . 41 CYS OXT 1 1 21 12243 1 1 41 CYS SG S 8.623 -4.403 -0.624 1.00 . A A . 41 CYS SG 1 1 22 12244 1 1 1 TRP C C 2.829 6.696 8.707 1.00 . A A . 1 TRP C 1 1 22 12245 1 1 1 TRP CA C 2.994 8.118 9.240 1.00 . A A . 1 TRP CA 1 1 22 12246 1 1 1 TRP CB C 3.581 8.087 10.655 1.00 . A A . 1 TRP CB 1 1 22 12247 1 1 1 TRP CD1 C 5.853 6.967 10.235 1.00 . A A . 1 TRP CD1 1 1 22 12248 1 1 1 TRP CD2 C 5.979 8.960 11.245 1.00 . A A . 1 TRP CD2 1 1 22 12249 1 1 1 TRP CE2 C 7.283 8.463 11.075 1.00 . A A . 1 TRP CE2 1 1 22 12250 1 1 1 TRP CE3 C 5.810 10.201 11.864 1.00 . A A . 1 TRP CE3 1 1 22 12251 1 1 1 TRP CG C 5.078 7.991 10.695 1.00 . A A . 1 TRP CG 1 1 22 12252 1 1 1 TRP CH2 C 8.214 10.374 12.102 1.00 . A A . 1 TRP CH2 1 1 22 12253 1 1 1 TRP CZ2 C 8.410 9.163 11.500 1.00 . A A . 1 TRP CZ2 1 1 22 12254 1 1 1 TRP CZ3 C 6.929 10.895 12.286 1.00 . A A . 1 TRP CZ3 1 1 22 12255 1 1 1 TRP H1 H 1.037 8.281 9.886 1.00 . A A . 1 TRP H1 1 1 22 12256 1 1 1 TRP H2 H 1.320 8.829 8.281 1.00 . A A . 1 TRP H2 1 1 22 12257 1 1 1 TRP H3 H 1.835 9.776 9.611 1.00 . A A . 1 TRP H3 1 1 22 12258 1 1 1 TRP HA H 3.653 8.666 8.580 1.00 . A A . 1 TRP HA 1 1 22 12259 1 1 1 TRP HB2 H 3.306 9.004 11.159 1.00 . A A . 1 TRP HB2 1 1 22 12260 1 1 1 TRP HB3 H 3.185 7.262 11.224 1.00 . A A . 1 TRP HB3 1 1 22 12261 1 1 1 TRP HD1 H 5.467 6.077 9.761 1.00 . A A . 1 TRP HD1 1 1 22 12262 1 1 1 TRP HE1 H 7.931 6.670 10.204 1.00 . A A . 1 TRP HE1 1 1 22 12263 1 1 1 TRP HE3 H 4.826 10.620 12.015 1.00 . A A . 1 TRP HE3 1 1 22 12264 1 1 1 TRP HH2 H 9.060 10.950 12.448 1.00 . A A . 1 TRP HH2 1 1 22 12265 1 1 1 TRP HZ2 H 9.409 8.775 11.365 1.00 . A A . 1 TRP HZ2 1 1 22 12266 1 1 1 TRP HZ3 H 6.816 11.855 12.767 1.00 . A A . 1 TRP HZ3 1 1 22 12267 1 1 1 TRP N N 1.685 8.807 9.258 1.00 . A A . 1 TRP N 1 1 22 12268 1 1 1 TRP NE1 N 7.180 7.249 10.451 1.00 . A A . 1 TRP NE1 1 1 22 12269 1 1 1 TRP O O 3.288 6.377 7.612 1.00 . A A . 1 TRP O 1 1 22 12270 1 1 2 CYS C C 0.504 4.427 8.392 1.00 . A A . 2 CYS C 1 1 22 12271 1 1 2 CYS CA C 1.873 4.485 9.072 1.00 . A A . 2 CYS CA 1 1 22 12272 1 1 2 CYS CB C 1.915 3.555 10.284 1.00 . A A . 2 CYS CB 1 1 22 12273 1 1 2 CYS H H 1.825 6.169 10.342 1.00 . A A . 2 CYS H 1 1 22 12274 1 1 2 CYS HA H 2.631 4.159 8.367 1.00 . A A . 2 CYS HA 1 1 22 12275 1 1 2 CYS HB2 H 1.481 2.619 10.016 1.00 . A A . 2 CYS HB2 1 1 22 12276 1 1 2 CYS HB3 H 2.942 3.403 10.582 1.00 . A A . 2 CYS HB3 1 1 22 12277 1 1 2 CYS N N 2.179 5.845 9.492 1.00 . A A . 2 CYS N 1 1 22 12278 1 1 2 CYS O O -0.441 5.088 8.824 1.00 . A A . 2 CYS O 1 1 22 12279 1 1 2 CYS SG S 1.003 4.180 11.729 1.00 . A A . 2 CYS SG 1 1 22 12280 1 1 3 SER C C -1.845 2.605 7.105 1.00 . A A . 3 SER C 1 1 22 12281 1 1 3 SER CA C -0.811 3.565 6.522 1.00 . A A . 3 SER CA 1 1 22 12282 1 1 3 SER CB C -0.447 3.145 5.099 1.00 . A A . 3 SER CB 1 1 22 12283 1 1 3 SER H H 1.200 3.127 7.035 1.00 . A A . 3 SER H 1 1 22 12284 1 1 3 SER HA H -1.250 4.554 6.479 1.00 . A A . 3 SER HA 1 1 22 12285 1 1 3 SER HB2 H -1.283 2.622 4.644 1.00 . A A . 3 SER HB2 1 1 22 12286 1 1 3 SER HB3 H -0.232 4.009 4.510 1.00 . A A . 3 SER HB3 1 1 22 12287 1 1 3 SER HG H 0.602 1.647 4.383 1.00 . A A . 3 SER HG 1 1 22 12288 1 1 3 SER N N 0.405 3.635 7.328 1.00 . A A . 3 SER N 1 1 22 12289 1 1 3 SER O O -2.992 2.582 6.666 1.00 . A A . 3 SER O 1 1 22 12290 1 1 3 SER OG O 0.677 2.279 5.103 1.00 . A A . 3 SER OG 1 1 22 12291 1 1 4 THR C C -3.036 1.440 9.929 1.00 . A A . 4 THR C 1 1 22 12292 1 1 4 THR CA C -2.359 0.854 8.693 1.00 . A A . 4 THR CA 1 1 22 12293 1 1 4 THR CB C -1.631 -0.444 9.075 1.00 . A A . 4 THR CB 1 1 22 12294 1 1 4 THR CG2 C -1.260 -1.243 7.835 1.00 . A A . 4 THR CG2 1 1 22 12295 1 1 4 THR H H -0.519 1.844 8.408 1.00 . A A . 4 THR H 1 1 22 12296 1 1 4 THR HA H -3.139 0.608 7.978 1.00 . A A . 4 THR HA 1 1 22 12297 1 1 4 THR HB H -2.279 -1.063 9.686 1.00 . A A . 4 THR HB 1 1 22 12298 1 1 4 THR HG1 H -0.684 0.029 10.744 1.00 . A A . 4 THR HG1 1 1 22 12299 1 1 4 THR HG21 H -0.634 -0.644 7.190 1.00 . A A . 4 THR HG21 1 1 22 12300 1 1 4 THR HG22 H -2.158 -1.524 7.304 1.00 . A A . 4 THR HG22 1 1 22 12301 1 1 4 THR HG23 H -0.724 -2.133 8.130 1.00 . A A . 4 THR HG23 1 1 22 12302 1 1 4 THR N N -1.445 1.807 8.082 1.00 . A A . 4 THR N 1 1 22 12303 1 1 4 THR O O -4.184 1.118 10.232 1.00 . A A . 4 THR O 1 1 22 12304 1 1 4 THR OG1 O -0.449 -0.137 9.827 1.00 . A A . 4 THR OG1 1 1 22 12305 1 1 5 CYS C C -3.724 4.113 11.517 1.00 . A A . 5 CYS C 1 1 22 12306 1 1 5 CYS CA C -2.852 2.913 11.856 1.00 . A A . 5 CYS CA 1 1 22 12307 1 1 5 CYS CB C -1.704 3.349 12.761 1.00 . A A . 5 CYS CB 1 1 22 12308 1 1 5 CYS H H -1.429 2.545 10.328 1.00 . A A . 5 CYS H 1 1 22 12309 1 1 5 CYS HA H -3.452 2.180 12.383 1.00 . A A . 5 CYS HA 1 1 22 12310 1 1 5 CYS HB2 H -1.589 4.425 12.731 1.00 . A A . 5 CYS HB2 1 1 22 12311 1 1 5 CYS HB3 H -1.938 3.056 13.774 1.00 . A A . 5 CYS HB3 1 1 22 12312 1 1 5 CYS N N -2.325 2.306 10.639 1.00 . A A . 5 CYS N 1 1 22 12313 1 1 5 CYS O O -4.483 4.609 12.352 1.00 . A A . 5 CYS O 1 1 22 12314 1 1 5 CYS SG S -0.103 2.592 12.336 1.00 . A A . 5 CYS SG 1 1 22 12315 1 1 6 LEU C C -5.222 5.271 8.610 1.00 . A A . 6 LEU C 1 1 22 12316 1 1 6 LEU CA C -4.387 5.701 9.808 1.00 . A A . 6 LEU CA 1 1 22 12317 1 1 6 LEU CB C -3.463 6.864 9.428 1.00 . A A . 6 LEU CB 1 1 22 12318 1 1 6 LEU CD1 C -5.057 8.702 10.044 1.00 . A A . 6 LEU CD1 1 1 22 12319 1 1 6 LEU CD2 C -3.151 9.169 8.493 1.00 . A A . 6 LEU CD2 1 1 22 12320 1 1 6 LEU CG C -4.169 8.134 8.949 1.00 . A A . 6 LEU CG 1 1 22 12321 1 1 6 LEU H H -2.981 4.160 9.652 1.00 . A A . 6 LEU H 1 1 22 12322 1 1 6 LEU HA H -5.049 6.030 10.599 1.00 . A A . 6 LEU HA 1 1 22 12323 1 1 6 LEU HB2 H -2.861 7.110 10.294 1.00 . A A . 6 LEU HB2 1 1 22 12324 1 1 6 LEU HB3 H -2.801 6.522 8.642 1.00 . A A . 6 LEU HB3 1 1 22 12325 1 1 6 LEU HD11 H -5.514 9.621 9.701 1.00 . A A . 6 LEU HD11 1 1 22 12326 1 1 6 LEU HD12 H -4.466 8.905 10.926 1.00 . A A . 6 LEU HD12 1 1 22 12327 1 1 6 LEU HD13 H -5.834 7.993 10.288 1.00 . A A . 6 LEU HD13 1 1 22 12328 1 1 6 LEU HD21 H -2.514 9.445 9.322 1.00 . A A . 6 LEU HD21 1 1 22 12329 1 1 6 LEU HD22 H -3.665 10.047 8.128 1.00 . A A . 6 LEU HD22 1 1 22 12330 1 1 6 LEU HD23 H -2.545 8.757 7.698 1.00 . A A . 6 LEU HD23 1 1 22 12331 1 1 6 LEU HG H -4.798 7.896 8.104 1.00 . A A . 6 LEU HG 1 1 22 12332 1 1 6 LEU N N -3.606 4.577 10.284 1.00 . A A . 6 LEU N 1 1 22 12333 1 1 6 LEU O O -4.690 4.760 7.626 1.00 . A A . 6 LEU O 1 1 22 12334 1 1 7 ASP C C -7.508 6.162 6.567 1.00 . A A . 7 ASP C 1 1 22 12335 1 1 7 ASP CA C -7.423 5.067 7.625 1.00 . A A . 7 ASP CA 1 1 22 12336 1 1 7 ASP CB C -8.818 4.707 8.165 1.00 . A A . 7 ASP CB 1 1 22 12337 1 1 7 ASP CG C -9.388 5.746 9.113 1.00 . A A . 7 ASP CG 1 1 22 12338 1 1 7 ASP H H -6.894 5.858 9.520 1.00 . A A . 7 ASP H 1 1 22 12339 1 1 7 ASP HA H -7.016 4.175 7.155 1.00 . A A . 7 ASP HA 1 1 22 12340 1 1 7 ASP HB2 H -9.506 4.586 7.339 1.00 . A A . 7 ASP HB2 1 1 22 12341 1 1 7 ASP HB3 H -8.749 3.770 8.698 1.00 . A A . 7 ASP HB3 1 1 22 12342 1 1 7 ASP N N -6.526 5.455 8.702 1.00 . A A . 7 ASP N 1 1 22 12343 1 1 7 ASP O O -8.368 7.040 6.615 1.00 . A A . 7 ASP O 1 1 22 12344 1 1 7 ASP OD1 O -8.893 5.842 10.259 1.00 . A A . 7 ASP OD1 1 1 22 12345 1 1 7 ASP OD2 O -10.352 6.445 8.737 1.00 . A A . 7 ASP OD2 1 1 22 12346 1 1 8 LEU C C -7.551 6.541 3.409 1.00 . A A . 8 LEU C 1 1 22 12347 1 1 8 LEU CA C -6.600 7.041 4.493 1.00 . A A . 8 LEU CA 1 1 22 12348 1 1 8 LEU CB C -5.195 7.219 3.896 1.00 . A A . 8 LEU CB 1 1 22 12349 1 1 8 LEU CD1 C -3.407 6.736 5.600 1.00 . A A . 8 LEU CD1 1 1 22 12350 1 1 8 LEU CD2 C -3.146 8.650 4.018 1.00 . A A . 8 LEU CD2 1 1 22 12351 1 1 8 LEU CG C -4.134 7.821 4.821 1.00 . A A . 8 LEU CG 1 1 22 12352 1 1 8 LEU H H -5.921 5.386 5.624 1.00 . A A . 8 LEU H 1 1 22 12353 1 1 8 LEU HA H -6.951 8.005 4.843 1.00 . A A . 8 LEU HA 1 1 22 12354 1 1 8 LEU HB2 H -4.862 6.240 3.591 1.00 . A A . 8 LEU HB2 1 1 22 12355 1 1 8 LEU HB3 H -5.281 7.835 3.013 1.00 . A A . 8 LEU HB3 1 1 22 12356 1 1 8 LEU HD11 H -3.015 5.992 4.920 1.00 . A A . 8 LEU HD11 1 1 22 12357 1 1 8 LEU HD12 H -4.092 6.279 6.275 1.00 . A A . 8 LEU HD12 1 1 22 12358 1 1 8 LEU HD13 H -2.592 7.170 6.164 1.00 . A A . 8 LEU HD13 1 1 22 12359 1 1 8 LEU HD21 H -2.419 9.094 4.684 1.00 . A A . 8 LEU HD21 1 1 22 12360 1 1 8 LEU HD22 H -3.673 9.436 3.494 1.00 . A A . 8 LEU HD22 1 1 22 12361 1 1 8 LEU HD23 H -2.637 8.020 3.301 1.00 . A A . 8 LEU HD23 1 1 22 12362 1 1 8 LEU HG H -4.609 8.479 5.537 1.00 . A A . 8 LEU HG 1 1 22 12363 1 1 8 LEU N N -6.591 6.110 5.612 1.00 . A A . 8 LEU N 1 1 22 12364 1 1 8 LEU O O -7.138 6.335 2.264 1.00 . A A . 8 LEU O 1 1 22 12365 1 1 9 ALA C C -9.941 6.642 1.606 1.00 . A A . 9 ALA C 1 1 22 12366 1 1 9 ALA CA C -9.844 5.819 2.888 1.00 . A A . 9 ALA CA 1 1 22 12367 1 1 9 ALA CB C -11.188 5.781 3.597 1.00 . A A . 9 ALA CB 1 1 22 12368 1 1 9 ALA H H -9.073 6.540 4.712 1.00 . A A . 9 ALA H 1 1 22 12369 1 1 9 ALA HA H -9.573 4.802 2.637 1.00 . A A . 9 ALA HA 1 1 22 12370 1 1 9 ALA HB1 H -11.494 6.786 3.851 1.00 . A A . 9 ALA HB1 1 1 22 12371 1 1 9 ALA HB2 H -11.099 5.195 4.500 1.00 . A A . 9 ALA HB2 1 1 22 12372 1 1 9 ALA HB3 H -11.928 5.331 2.950 1.00 . A A . 9 ALA HB3 1 1 22 12373 1 1 9 ALA N N -8.817 6.347 3.787 1.00 . A A . 9 ALA N 1 1 22 12374 1 1 9 ALA O O -10.750 7.566 1.502 1.00 . A A . 9 ALA O 1 1 22 12375 1 1 10 CYS C C -8.709 8.493 -0.361 1.00 . A A . 10 CYS C 1 1 22 12376 1 1 10 CYS CA C -8.972 7.016 -0.604 1.00 . A A . 10 CYS CA 1 1 22 12377 1 1 10 CYS CB C -10.191 6.798 -1.498 1.00 . A A . 10 CYS CB 1 1 22 12378 1 1 10 CYS H H -8.460 5.554 0.811 1.00 . A A . 10 CYS H 1 1 22 12379 1 1 10 CYS HA H -8.100 6.652 -1.086 1.00 . A A . 10 CYS HA 1 1 22 12380 1 1 10 CYS HB2 H -11.086 6.801 -0.895 1.00 . A A . 10 CYS HB2 1 1 22 12381 1 1 10 CYS HB3 H -10.259 7.586 -2.238 1.00 . A A . 10 CYS HB3 1 1 22 12382 1 1 10 CYS N N -9.087 6.296 0.650 1.00 . A A . 10 CYS N 1 1 22 12383 1 1 10 CYS O O -9.336 9.364 -0.962 1.00 . A A . 10 CYS O 1 1 22 12384 1 1 10 CYS SG S -10.141 5.219 -2.408 1.00 . A A . 10 CYS SG 1 1 22 12385 1 1 11 THR C C -6.279 10.407 -0.418 1.00 . A A . 11 THR C 1 1 22 12386 1 1 11 THR CA C -7.256 10.111 0.715 1.00 . A A . 11 THR CA 1 1 22 12387 1 1 11 THR CB C -6.552 10.245 2.081 1.00 . A A . 11 THR CB 1 1 22 12388 1 1 11 THR CG2 C -6.176 11.689 2.376 1.00 . A A . 11 THR CG2 1 1 22 12389 1 1 11 THR H H -7.287 8.019 0.974 1.00 . A A . 11 THR H 1 1 22 12390 1 1 11 THR HA H -8.086 10.808 0.664 1.00 . A A . 11 THR HA 1 1 22 12391 1 1 11 THR HB H -5.648 9.654 2.082 1.00 . A A . 11 THR HB 1 1 22 12392 1 1 11 THR HG1 H -8.243 10.263 3.141 1.00 . A A . 11 THR HG1 1 1 22 12393 1 1 11 THR HG21 H -7.031 12.333 2.218 1.00 . A A . 11 THR HG21 1 1 22 12394 1 1 11 THR HG22 H -5.371 11.994 1.726 1.00 . A A . 11 THR HG22 1 1 22 12395 1 1 11 THR HG23 H -5.854 11.770 3.404 1.00 . A A . 11 THR HG23 1 1 22 12396 1 1 11 THR N N -7.760 8.763 0.530 1.00 . A A . 11 THR N 1 1 22 12397 1 1 11 THR O O -5.830 11.537 -0.623 1.00 . A A . 11 THR O 1 1 22 12398 1 1 11 THR OG1 O -7.418 9.759 3.114 1.00 . A A . 11 THR OG1 1 1 22 12399 1 1 12 GLY C C -4.126 8.290 -2.282 1.00 . A A . 12 GLY C 1 1 22 12400 1 1 12 GLY CA C -5.097 9.440 -2.287 1.00 . A A . 12 GLY CA 1 1 22 12401 1 1 12 GLY H H -6.380 8.483 -0.978 1.00 . A A . 12 GLY H 1 1 22 12402 1 1 12 GLY HA2 H -5.677 9.423 -3.199 1.00 . A A . 12 GLY HA2 1 1 22 12403 1 1 12 GLY HA3 H -4.532 10.364 -2.253 1.00 . A A . 12 GLY HA3 1 1 22 12404 1 1 12 GLY N N -5.993 9.355 -1.170 1.00 . A A . 12 GLY N 1 1 22 12405 1 1 12 GLY O O -3.377 8.118 -1.322 1.00 . A A . 12 GLY O 1 1 22 12406 1 1 13 SER C C -1.778 7.042 -3.522 1.00 . A A . 13 SER C 1 1 22 12407 1 1 13 SER CA C -3.167 6.419 -3.463 1.00 . A A . 13 SER CA 1 1 22 12408 1 1 13 SER CB C -3.452 5.586 -4.714 1.00 . A A . 13 SER CB 1 1 22 12409 1 1 13 SER H H -4.781 7.649 -4.063 1.00 . A A . 13 SER H 1 1 22 12410 1 1 13 SER HA H -3.230 5.781 -2.590 1.00 . A A . 13 SER HA 1 1 22 12411 1 1 13 SER HB2 H -3.369 6.211 -5.592 1.00 . A A . 13 SER HB2 1 1 22 12412 1 1 13 SER HB3 H -2.737 4.778 -4.779 1.00 . A A . 13 SER HB3 1 1 22 12413 1 1 13 SER HG H -5.401 5.699 -4.935 1.00 . A A . 13 SER HG 1 1 22 12414 1 1 13 SER N N -4.145 7.480 -3.327 1.00 . A A . 13 SER N 1 1 22 12415 1 1 13 SER O O -0.813 6.494 -2.988 1.00 . A A . 13 SER O 1 1 22 12416 1 1 13 SER OG O -4.761 5.034 -4.668 1.00 . A A . 13 SER OG 1 1 22 12417 1 1 14 LYS C C 0.015 9.289 -2.760 1.00 . A A . 14 LYS C 1 1 22 12418 1 1 14 LYS CA C -0.483 9.014 -4.176 1.00 . A A . 14 LYS CA 1 1 22 12419 1 1 14 LYS CB C -0.723 10.338 -4.903 1.00 . A A . 14 LYS CB 1 1 22 12420 1 1 14 LYS CD C -1.442 11.518 -6.995 1.00 . A A . 14 LYS CD 1 1 22 12421 1 1 14 LYS CE C -1.879 11.362 -8.443 1.00 . A A . 14 LYS CE 1 1 22 12422 1 1 14 LYS CG C -1.173 10.173 -6.344 1.00 . A A . 14 LYS CG 1 1 22 12423 1 1 14 LYS H H -2.525 8.617 -4.519 1.00 . A A . 14 LYS H 1 1 22 12424 1 1 14 LYS HA H 0.251 8.475 -4.698 1.00 . A A . 14 LYS HA 1 1 22 12425 1 1 14 LYS HB2 H -1.485 10.893 -4.371 1.00 . A A . 14 LYS HB2 1 1 22 12426 1 1 14 LYS HB3 H 0.196 10.912 -4.900 1.00 . A A . 14 LYS HB3 1 1 22 12427 1 1 14 LYS HD2 H -2.226 12.024 -6.450 1.00 . A A . 14 LYS HD2 1 1 22 12428 1 1 14 LYS HD3 H -0.539 12.112 -6.966 1.00 . A A . 14 LYS HD3 1 1 22 12429 1 1 14 LYS HE2 H -2.806 10.808 -8.471 1.00 . A A . 14 LYS HE2 1 1 22 12430 1 1 14 LYS HE3 H -2.036 12.344 -8.864 1.00 . A A . 14 LYS HE3 1 1 22 12431 1 1 14 LYS HG2 H -0.394 9.664 -6.891 1.00 . A A . 14 LYS HG2 1 1 22 12432 1 1 14 LYS HG3 H -2.077 9.582 -6.368 1.00 . A A . 14 LYS HG3 1 1 22 12433 1 1 14 LYS HZ1 H -0.854 9.634 -9.014 1.00 . A A . 14 LYS HZ1 1 1 22 12434 1 1 14 LYS HZ2 H 0.088 11.040 -9.095 1.00 . A A . 14 LYS HZ2 1 1 22 12435 1 1 14 LYS HZ3 H -1.091 10.740 -10.267 1.00 . A A . 14 LYS HZ3 1 1 22 12436 1 1 14 LYS N N -1.707 8.224 -4.140 1.00 . A A . 14 LYS N 1 1 22 12437 1 1 14 LYS NZ N -0.863 10.645 -9.257 1.00 . A A . 14 LYS NZ 1 1 22 12438 1 1 14 LYS O O 1.215 9.234 -2.487 1.00 . A A . 14 LYS O 1 1 22 12439 1 1 15 ASP C C -0.123 8.558 0.200 1.00 . A A . 15 ASP C 1 1 22 12440 1 1 15 ASP CA C -0.587 9.841 -0.472 1.00 . A A . 15 ASP CA 1 1 22 12441 1 1 15 ASP CB C -1.802 10.396 0.280 1.00 . A A . 15 ASP CB 1 1 22 12442 1 1 15 ASP CG C -1.416 11.116 1.561 1.00 . A A . 15 ASP CG 1 1 22 12443 1 1 15 ASP H H -1.859 9.604 -2.136 1.00 . A A . 15 ASP H 1 1 22 12444 1 1 15 ASP HA H 0.218 10.567 -0.446 1.00 . A A . 15 ASP HA 1 1 22 12445 1 1 15 ASP HB2 H -2.316 11.101 -0.359 1.00 . A A . 15 ASP HB2 1 1 22 12446 1 1 15 ASP HB3 H -2.483 9.591 0.530 1.00 . A A . 15 ASP HB3 1 1 22 12447 1 1 15 ASP N N -0.920 9.573 -1.863 1.00 . A A . 15 ASP N 1 1 22 12448 1 1 15 ASP O O 0.935 8.522 0.824 1.00 . A A . 15 ASP O 1 1 22 12449 1 1 15 ASP OD1 O -0.853 10.474 2.473 1.00 . A A . 15 ASP OD1 1 1 22 12450 1 1 15 ASP OD2 O -1.670 12.334 1.659 1.00 . A A . 15 ASP OD2 1 1 22 12451 1 1 16 CYS C C 0.608 5.527 0.202 1.00 . A A . 16 CYS C 1 1 22 12452 1 1 16 CYS CA C -0.667 6.222 0.690 1.00 . A A . 16 CYS CA 1 1 22 12453 1 1 16 CYS CB C -1.877 5.302 0.511 1.00 . A A . 16 CYS CB 1 1 22 12454 1 1 16 CYS H H -1.722 7.594 -0.526 1.00 . A A . 16 CYS H 1 1 22 12455 1 1 16 CYS HA H -0.550 6.424 1.748 1.00 . A A . 16 CYS HA 1 1 22 12456 1 1 16 CYS HB2 H -2.073 5.176 -0.543 1.00 . A A . 16 CYS HB2 1 1 22 12457 1 1 16 CYS HB3 H -1.666 4.336 0.952 1.00 . A A . 16 CYS HB3 1 1 22 12458 1 1 16 CYS N N -0.905 7.497 0.020 1.00 . A A . 16 CYS N 1 1 22 12459 1 1 16 CYS O O 1.124 4.638 0.886 1.00 . A A . 16 CYS O 1 1 22 12460 1 1 16 CYS SG S -3.401 5.936 1.286 1.00 . A A . 16 CYS SG 1 1 22 12461 1 1 17 TYR C C 3.488 5.494 -0.434 1.00 . A A . 17 TYR C 1 1 22 12462 1 1 17 TYR CA C 2.380 5.382 -1.478 1.00 . A A . 17 TYR CA 1 1 22 12463 1 1 17 TYR CB C 2.833 6.104 -2.754 1.00 . A A . 17 TYR CB 1 1 22 12464 1 1 17 TYR CD1 C 1.363 4.597 -4.163 1.00 . A A . 17 TYR CD1 1 1 22 12465 1 1 17 TYR CD2 C 1.837 6.790 -4.967 1.00 . A A . 17 TYR CD2 1 1 22 12466 1 1 17 TYR CE1 C 0.599 4.348 -5.288 1.00 . A A . 17 TYR CE1 1 1 22 12467 1 1 17 TYR CE2 C 1.075 6.549 -6.091 1.00 . A A . 17 TYR CE2 1 1 22 12468 1 1 17 TYR CG C 1.995 5.822 -3.983 1.00 . A A . 17 TYR CG 1 1 22 12469 1 1 17 TYR CZ C 0.457 5.329 -6.246 1.00 . A A . 17 TYR CZ 1 1 22 12470 1 1 17 TYR H H 0.670 6.634 -1.483 1.00 . A A . 17 TYR H 1 1 22 12471 1 1 17 TYR HA H 2.232 4.337 -1.683 1.00 . A A . 17 TYR HA 1 1 22 12472 1 1 17 TYR HB2 H 2.811 7.168 -2.569 1.00 . A A . 17 TYR HB2 1 1 22 12473 1 1 17 TYR HB3 H 3.852 5.814 -2.987 1.00 . A A . 17 TYR HB3 1 1 22 12474 1 1 17 TYR HD1 H 1.469 3.821 -3.425 1.00 . A A . 17 TYR HD1 1 1 22 12475 1 1 17 TYR HD2 H 2.322 7.749 -4.847 1.00 . A A . 17 TYR HD2 1 1 22 12476 1 1 17 TYR HE1 H 0.119 3.393 -5.414 1.00 . A A . 17 TYR HE1 1 1 22 12477 1 1 17 TYR HE2 H 0.966 7.316 -6.844 1.00 . A A . 17 TYR HE2 1 1 22 12478 1 1 17 TYR HH H -1.224 5.289 -7.178 1.00 . A A . 17 TYR HH 1 1 22 12479 1 1 17 TYR N N 1.117 5.928 -0.967 1.00 . A A . 17 TYR N 1 1 22 12480 1 1 17 TYR O O 4.212 4.532 -0.184 1.00 . A A . 17 TYR O 1 1 22 12481 1 1 17 TYR OH O -0.304 5.091 -7.367 1.00 . A A . 17 TYR OH 1 1 22 12482 1 1 18 ALA C C 4.573 6.048 2.383 1.00 . A A . 18 ALA C 1 1 22 12483 1 1 18 ALA CA C 4.667 6.941 1.140 1.00 . A A . 18 ALA CA 1 1 22 12484 1 1 18 ALA CB C 4.682 8.417 1.526 1.00 . A A . 18 ALA CB 1 1 22 12485 1 1 18 ALA H H 2.975 7.395 -0.057 1.00 . A A . 18 ALA H 1 1 22 12486 1 1 18 ALA HA H 5.608 6.730 0.645 1.00 . A A . 18 ALA HA 1 1 22 12487 1 1 18 ALA HB1 H 4.836 8.533 2.592 1.00 . A A . 18 ALA HB1 1 1 22 12488 1 1 18 ALA HB2 H 3.750 8.888 1.251 1.00 . A A . 18 ALA HB2 1 1 22 12489 1 1 18 ALA HB3 H 5.489 8.908 1.001 1.00 . A A . 18 ALA HB3 1 1 22 12490 1 1 18 ALA N N 3.598 6.669 0.182 1.00 . A A . 18 ALA N 1 1 22 12491 1 1 18 ALA O O 5.519 5.318 2.677 1.00 . A A . 18 ALA O 1 1 22 12492 1 1 19 PRO C C 3.424 3.770 4.064 1.00 . A A . 19 PRO C 1 1 22 12493 1 1 19 PRO CA C 3.305 5.263 4.347 1.00 . A A . 19 PRO CA 1 1 22 12494 1 1 19 PRO CB C 1.902 5.596 4.859 1.00 . A A . 19 PRO CB 1 1 22 12495 1 1 19 PRO CD C 2.241 6.885 2.892 1.00 . A A . 19 PRO CD 1 1 22 12496 1 1 19 PRO CG C 1.555 6.893 4.223 1.00 . A A . 19 PRO CG 1 1 22 12497 1 1 19 PRO HA H 4.036 5.542 5.092 1.00 . A A . 19 PRO HA 1 1 22 12498 1 1 19 PRO HB2 H 1.227 4.845 4.546 1.00 . A A . 19 PRO HB2 1 1 22 12499 1 1 19 PRO HB3 H 1.899 5.667 5.929 1.00 . A A . 19 PRO HB3 1 1 22 12500 1 1 19 PRO HD2 H 1.619 6.445 2.168 1.00 . A A . 19 PRO HD2 1 1 22 12501 1 1 19 PRO HD3 H 2.491 7.886 2.616 1.00 . A A . 19 PRO HD3 1 1 22 12502 1 1 19 PRO HG2 H 0.485 6.966 4.095 1.00 . A A . 19 PRO HG2 1 1 22 12503 1 1 19 PRO HG3 H 1.919 7.710 4.828 1.00 . A A . 19 PRO HG3 1 1 22 12504 1 1 19 PRO N N 3.446 6.074 3.136 1.00 . A A . 19 PRO N 1 1 22 12505 1 1 19 PRO O O 4.031 3.034 4.841 1.00 . A A . 19 PRO O 1 1 22 12506 1 1 20 CYS C C 4.345 1.507 2.274 1.00 . A A . 20 CYS C 1 1 22 12507 1 1 20 CYS CA C 2.908 1.927 2.566 1.00 . A A . 20 CYS CA 1 1 22 12508 1 1 20 CYS CB C 2.020 1.664 1.347 1.00 . A A . 20 CYS CB 1 1 22 12509 1 1 20 CYS H H 2.392 3.970 2.351 1.00 . A A . 20 CYS H 1 1 22 12510 1 1 20 CYS HA H 2.539 1.340 3.397 1.00 . A A . 20 CYS HA 1 1 22 12511 1 1 20 CYS HB2 H 1.018 1.997 1.568 1.00 . A A . 20 CYS HB2 1 1 22 12512 1 1 20 CYS HB3 H 2.397 2.235 0.508 1.00 . A A . 20 CYS HB3 1 1 22 12513 1 1 20 CYS N N 2.858 3.333 2.943 1.00 . A A . 20 CYS N 1 1 22 12514 1 1 20 CYS O O 4.820 0.483 2.772 1.00 . A A . 20 CYS O 1 1 22 12515 1 1 20 CYS SG S 1.945 -0.084 0.834 1.00 . A A . 20 CYS SG 1 1 22 12516 1 1 21 ARG C C 7.292 2.059 2.404 1.00 . A A . 21 ARG C 1 1 22 12517 1 1 21 ARG CA C 6.434 2.040 1.144 1.00 . A A . 21 ARG CA 1 1 22 12518 1 1 21 ARG CB C 6.941 3.065 0.118 1.00 . A A . 21 ARG CB 1 1 22 12519 1 1 21 ARG CD C 9.470 3.013 0.222 1.00 . A A . 21 ARG CD 1 1 22 12520 1 1 21 ARG CG C 8.232 2.663 -0.587 1.00 . A A . 21 ARG CG 1 1 22 12521 1 1 21 ARG CZ C 10.791 5.002 0.828 1.00 . A A . 21 ARG CZ 1 1 22 12522 1 1 21 ARG H H 4.622 3.140 1.137 1.00 . A A . 21 ARG H 1 1 22 12523 1 1 21 ARG HA H 6.477 1.049 0.707 1.00 . A A . 21 ARG HA 1 1 22 12524 1 1 21 ARG HB2 H 6.183 3.182 -0.636 1.00 . A A . 21 ARG HB2 1 1 22 12525 1 1 21 ARG HB3 H 7.088 4.022 0.605 1.00 . A A . 21 ARG HB3 1 1 22 12526 1 1 21 ARG HD2 H 9.359 2.697 1.236 1.00 . A A . 21 ARG HD2 1 1 22 12527 1 1 21 ARG HD3 H 10.311 2.493 -0.214 1.00 . A A . 21 ARG HD3 1 1 22 12528 1 1 21 ARG HE H 9.162 5.027 -0.330 1.00 . A A . 21 ARG HE 1 1 22 12529 1 1 21 ARG HG2 H 8.219 1.605 -0.774 1.00 . A A . 21 ARG HG2 1 1 22 12530 1 1 21 ARG HG3 H 8.280 3.185 -1.532 1.00 . A A . 21 ARG HG3 1 1 22 12531 1 1 21 ARG HH11 H 11.441 3.273 1.677 1.00 . A A . 21 ARG HH11 1 1 22 12532 1 1 21 ARG HH12 H 12.370 4.679 2.043 1.00 . A A . 21 ARG HH12 1 1 22 12533 1 1 21 ARG HH21 H 10.416 6.873 0.151 1.00 . A A . 21 ARG HH21 1 1 22 12534 1 1 21 ARG HH22 H 11.798 6.723 1.185 1.00 . A A . 21 ARG HH22 1 1 22 12535 1 1 21 ARG N N 5.047 2.321 1.490 1.00 . A A . 21 ARG N 1 1 22 12536 1 1 21 ARG NE N 9.757 4.446 0.199 1.00 . A A . 21 ARG NE 1 1 22 12537 1 1 21 ARG NH1 N 11.593 4.255 1.573 1.00 . A A . 21 ARG NH1 1 1 22 12538 1 1 21 ARG NH2 N 11.020 6.304 0.712 1.00 . A A . 21 ARG NH2 1 1 22 12539 1 1 21 ARG O O 8.146 1.199 2.597 1.00 . A A . 21 ARG O 1 1 22 12540 1 1 22 LYS C C 7.527 2.003 5.458 1.00 . A A . 22 LYS C 1 1 22 12541 1 1 22 LYS CA C 7.776 3.179 4.513 1.00 . A A . 22 LYS CA 1 1 22 12542 1 1 22 LYS CB C 7.393 4.498 5.189 1.00 . A A . 22 LYS CB 1 1 22 12543 1 1 22 LYS CD C 7.817 6.123 7.051 1.00 . A A . 22 LYS CD 1 1 22 12544 1 1 22 LYS CE C 8.510 7.137 6.158 1.00 . A A . 22 LYS CE 1 1 22 12545 1 1 22 LYS CG C 8.041 4.710 6.546 1.00 . A A . 22 LYS CG 1 1 22 12546 1 1 22 LYS H H 6.321 3.682 3.063 1.00 . A A . 22 LYS H 1 1 22 12547 1 1 22 LYS HA H 8.831 3.210 4.273 1.00 . A A . 22 LYS HA 1 1 22 12548 1 1 22 LYS HB2 H 7.677 5.292 4.523 1.00 . A A . 22 LYS HB2 1 1 22 12549 1 1 22 LYS HB3 H 6.320 4.520 5.318 1.00 . A A . 22 LYS HB3 1 1 22 12550 1 1 22 LYS HD2 H 6.757 6.335 7.071 1.00 . A A . 22 LYS HD2 1 1 22 12551 1 1 22 LYS HD3 H 8.220 6.204 8.050 1.00 . A A . 22 LYS HD3 1 1 22 12552 1 1 22 LYS HE2 H 9.560 6.891 6.091 1.00 . A A . 22 LYS HE2 1 1 22 12553 1 1 22 LYS HE3 H 8.072 7.106 5.174 1.00 . A A . 22 LYS HE3 1 1 22 12554 1 1 22 LYS HG2 H 7.605 4.022 7.255 1.00 . A A . 22 LYS HG2 1 1 22 12555 1 1 22 LYS HG3 H 9.105 4.524 6.469 1.00 . A A . 22 LYS HG3 1 1 22 12556 1 1 22 LYS HZ1 H 7.379 8.795 6.737 1.00 . A A . 22 LYS HZ1 1 1 22 12557 1 1 22 LYS HZ2 H 8.868 9.186 6.039 1.00 . A A . 22 LYS HZ2 1 1 22 12558 1 1 22 LYS HZ3 H 8.810 8.597 7.623 1.00 . A A . 22 LYS HZ3 1 1 22 12559 1 1 22 LYS N N 7.033 3.031 3.267 1.00 . A A . 22 LYS N 1 1 22 12560 1 1 22 LYS NZ N 8.382 8.523 6.676 1.00 . A A . 22 LYS NZ 1 1 22 12561 1 1 22 LYS O O 8.418 1.591 6.207 1.00 . A A . 22 LYS O 1 1 22 12562 1 1 23 GLN C C 6.566 -0.967 5.765 1.00 . A A . 23 GLN C 1 1 22 12563 1 1 23 GLN CA C 5.967 0.336 6.275 1.00 . A A . 23 GLN CA 1 1 22 12564 1 1 23 GLN CB C 4.451 0.184 6.400 1.00 . A A . 23 GLN CB 1 1 22 12565 1 1 23 GLN CD C 2.393 0.656 7.771 1.00 . A A . 23 GLN CD 1 1 22 12566 1 1 23 GLN CG C 3.825 1.055 7.478 1.00 . A A . 23 GLN CG 1 1 22 12567 1 1 23 GLN H H 5.633 1.826 4.814 1.00 . A A . 23 GLN H 1 1 22 12568 1 1 23 GLN HA H 6.377 0.523 7.263 1.00 . A A . 23 GLN HA 1 1 22 12569 1 1 23 GLN HB2 H 3.994 0.442 5.455 1.00 . A A . 23 GLN HB2 1 1 22 12570 1 1 23 GLN HB3 H 4.214 -0.851 6.628 1.00 . A A . 23 GLN HB3 1 1 22 12571 1 1 23 GLN HE21 H 2.663 0.992 9.717 1.00 . A A . 23 GLN HE21 1 1 22 12572 1 1 23 GLN HE22 H 1.088 0.475 9.242 1.00 . A A . 23 GLN HE22 1 1 22 12573 1 1 23 GLN HG2 H 4.409 0.965 8.385 1.00 . A A . 23 GLN HG2 1 1 22 12574 1 1 23 GLN HG3 H 3.836 2.082 7.144 1.00 . A A . 23 GLN HG3 1 1 22 12575 1 1 23 GLN N N 6.316 1.464 5.425 1.00 . A A . 23 GLN N 1 1 22 12576 1 1 23 GLN NE2 N 2.012 0.713 9.034 1.00 . A A . 23 GLN NE2 1 1 22 12577 1 1 23 GLN O O 7.370 -1.596 6.453 1.00 . A A . 23 GLN O 1 1 22 12578 1 1 23 GLN OE1 O 1.648 0.261 6.878 1.00 . A A . 23 GLN OE1 1 1 22 12579 1 1 24 THR C C 7.802 -2.656 3.189 1.00 . A A . 24 THR C 1 1 22 12580 1 1 24 THR CA C 6.543 -2.687 4.062 1.00 . A A . 24 THR CA 1 1 22 12581 1 1 24 THR CB C 5.367 -3.339 3.294 1.00 . A A . 24 THR CB 1 1 22 12582 1 1 24 THR CG2 C 5.026 -2.569 2.024 1.00 . A A . 24 THR CG2 1 1 22 12583 1 1 24 THR H H 5.543 -0.817 4.047 1.00 . A A . 24 THR H 1 1 22 12584 1 1 24 THR HA H 6.759 -3.322 4.914 1.00 . A A . 24 THR HA 1 1 22 12585 1 1 24 THR HB H 4.492 -3.338 3.930 1.00 . A A . 24 THR HB 1 1 22 12586 1 1 24 THR HG1 H 4.871 -5.202 2.861 1.00 . A A . 24 THR HG1 1 1 22 12587 1 1 24 THR HG21 H 5.291 -3.153 1.159 1.00 . A A . 24 THR HG21 1 1 22 12588 1 1 24 THR HG22 H 5.548 -1.630 1.987 1.00 . A A . 24 THR HG22 1 1 22 12589 1 1 24 THR HG23 H 3.963 -2.380 2.004 1.00 . A A . 24 THR HG23 1 1 22 12590 1 1 24 THR N N 6.182 -1.367 4.559 1.00 . A A . 24 THR N 1 1 22 12591 1 1 24 THR O O 8.571 -3.619 3.167 1.00 . A A . 24 THR O 1 1 22 12592 1 1 24 THR OG1 O 5.682 -4.695 2.959 1.00 . A A . 24 THR OG1 1 1 22 12593 1 1 25 GLY C C 8.816 -1.074 0.202 1.00 . A A . 25 GLY C 1 1 22 12594 1 1 25 GLY CA C 9.189 -1.471 1.616 1.00 . A A . 25 GLY CA 1 1 22 12595 1 1 25 GLY H H 7.427 -0.783 2.549 1.00 . A A . 25 GLY H 1 1 22 12596 1 1 25 GLY HA2 H 9.867 -0.728 2.008 1.00 . A A . 25 GLY HA2 1 1 22 12597 1 1 25 GLY HA3 H 9.710 -2.420 1.575 1.00 . A A . 25 GLY HA3 1 1 22 12598 1 1 25 GLY N N 8.040 -1.549 2.496 1.00 . A A . 25 GLY N 1 1 22 12599 1 1 25 GLY O O 9.505 -0.274 -0.425 1.00 . A A . 25 GLY O 1 1 22 12600 1 1 26 CYS C C 6.051 -0.415 -1.623 1.00 . A A . 26 CYS C 1 1 22 12601 1 1 26 CYS CA C 7.273 -1.326 -1.655 1.00 . A A . 26 CYS CA 1 1 22 12602 1 1 26 CYS CB C 6.938 -2.614 -2.406 1.00 . A A . 26 CYS CB 1 1 22 12603 1 1 26 CYS H H 7.200 -2.266 0.238 1.00 . A A . 26 CYS H 1 1 22 12604 1 1 26 CYS HA H 8.081 -0.839 -2.178 1.00 . A A . 26 CYS HA 1 1 22 12605 1 1 26 CYS HB2 H 6.105 -3.062 -1.925 1.00 . A A . 26 CYS HB2 1 1 22 12606 1 1 26 CYS HB3 H 6.667 -2.369 -3.425 1.00 . A A . 26 CYS HB3 1 1 22 12607 1 1 26 CYS N N 7.724 -1.630 -0.303 1.00 . A A . 26 CYS N 1 1 22 12608 1 1 26 CYS O O 5.157 -0.596 -0.799 1.00 . A A . 26 CYS O 1 1 22 12609 1 1 26 CYS SG S 8.307 -3.815 -2.474 1.00 . A A . 26 CYS SG 1 1 22 12610 1 1 27 PRO C C 3.673 1.059 -3.332 1.00 . A A . 27 PRO C 1 1 22 12611 1 1 27 PRO CA C 4.903 1.561 -2.577 1.00 . A A . 27 PRO CA 1 1 22 12612 1 1 27 PRO CB C 5.549 2.709 -3.341 1.00 . A A . 27 PRO CB 1 1 22 12613 1 1 27 PRO CD C 6.995 0.828 -3.585 1.00 . A A . 27 PRO CD 1 1 22 12614 1 1 27 PRO CG C 6.437 2.021 -4.315 1.00 . A A . 27 PRO CG 1 1 22 12615 1 1 27 PRO HA H 4.615 1.897 -1.591 1.00 . A A . 27 PRO HA 1 1 22 12616 1 1 27 PRO HB2 H 4.805 3.320 -3.836 1.00 . A A . 27 PRO HB2 1 1 22 12617 1 1 27 PRO HB3 H 6.122 3.321 -2.667 1.00 . A A . 27 PRO HB3 1 1 22 12618 1 1 27 PRO HD2 H 7.079 -0.018 -4.251 1.00 . A A . 27 PRO HD2 1 1 22 12619 1 1 27 PRO HD3 H 7.955 1.070 -3.155 1.00 . A A . 27 PRO HD3 1 1 22 12620 1 1 27 PRO HG2 H 5.865 1.703 -5.175 1.00 . A A . 27 PRO HG2 1 1 22 12621 1 1 27 PRO HG3 H 7.235 2.683 -4.617 1.00 . A A . 27 PRO HG3 1 1 22 12622 1 1 27 PRO N N 5.992 0.574 -2.530 1.00 . A A . 27 PRO N 1 1 22 12623 1 1 27 PRO O O 2.912 1.851 -3.884 1.00 . A A . 27 PRO O 1 1 22 12624 1 1 28 ASN C C 1.077 -0.679 -3.229 1.00 . A A . 28 ASN C 1 1 22 12625 1 1 28 ASN CA C 2.347 -0.845 -4.054 1.00 . A A . 28 ASN CA 1 1 22 12626 1 1 28 ASN CB C 2.580 -2.336 -4.338 1.00 . A A . 28 ASN CB 1 1 22 12627 1 1 28 ASN CG C 3.776 -2.596 -5.234 1.00 . A A . 28 ASN CG 1 1 22 12628 1 1 28 ASN H H 4.111 -0.850 -2.916 1.00 . A A . 28 ASN H 1 1 22 12629 1 1 28 ASN HA H 2.215 -0.331 -5.000 1.00 . A A . 28 ASN HA 1 1 22 12630 1 1 28 ASN HB2 H 2.737 -2.854 -3.404 1.00 . A A . 28 ASN HB2 1 1 22 12631 1 1 28 ASN HB3 H 1.719 -2.748 -4.826 1.00 . A A . 28 ASN HB3 1 1 22 12632 1 1 28 ASN HD21 H 3.951 -4.450 -4.511 1.00 . A A . 28 ASN HD21 1 1 22 12633 1 1 28 ASN HD22 H 5.103 -3.985 -5.711 1.00 . A A . 28 ASN HD22 1 1 22 12634 1 1 28 ASN N N 3.489 -0.251 -3.362 1.00 . A A . 28 ASN N 1 1 22 12635 1 1 28 ASN ND2 N 4.329 -3.795 -5.141 1.00 . A A . 28 ASN ND2 1 1 22 12636 1 1 28 ASN O O 0.631 -1.618 -2.568 1.00 . A A . 28 ASN O 1 1 22 12637 1 1 28 ASN OD1 O 4.180 -1.743 -6.024 1.00 . A A . 28 ASN OD1 1 1 22 12638 1 1 29 ALA C C -1.812 1.319 -3.435 1.00 . A A . 29 ALA C 1 1 22 12639 1 1 29 ALA CA C -0.707 0.810 -2.518 1.00 . A A . 29 ALA CA 1 1 22 12640 1 1 29 ALA CB C -0.411 1.832 -1.431 1.00 . A A . 29 ALA CB 1 1 22 12641 1 1 29 ALA H H 0.903 1.230 -3.816 1.00 . A A . 29 ALA H 1 1 22 12642 1 1 29 ALA HA H -1.052 -0.087 -2.029 1.00 . A A . 29 ALA HA 1 1 22 12643 1 1 29 ALA HB1 H -1.178 1.781 -0.672 1.00 . A A . 29 ALA HB1 1 1 22 12644 1 1 29 ALA HB2 H -0.388 2.829 -1.853 1.00 . A A . 29 ALA HB2 1 1 22 12645 1 1 29 ALA HB3 H 0.543 1.621 -0.987 1.00 . A A . 29 ALA HB3 1 1 22 12646 1 1 29 ALA N N 0.502 0.514 -3.271 1.00 . A A . 29 ALA N 1 1 22 12647 1 1 29 ALA O O -1.594 2.212 -4.253 1.00 . A A . 29 ALA O 1 1 22 12648 1 1 30 LYS C C -5.293 1.500 -3.118 1.00 . A A . 30 LYS C 1 1 22 12649 1 1 30 LYS CA C -4.152 1.167 -4.065 1.00 . A A . 30 LYS CA 1 1 22 12650 1 1 30 LYS CB C -4.581 0.057 -5.030 1.00 . A A . 30 LYS CB 1 1 22 12651 1 1 30 LYS CD C -5.486 1.590 -6.808 1.00 . A A . 30 LYS CD 1 1 22 12652 1 1 30 LYS CE C -4.383 1.258 -7.801 1.00 . A A . 30 LYS CE 1 1 22 12653 1 1 30 LYS CG C -5.783 0.415 -5.890 1.00 . A A . 30 LYS CG 1 1 22 12654 1 1 30 LYS H H -3.109 0.021 -2.634 1.00 . A A . 30 LYS H 1 1 22 12655 1 1 30 LYS HA H -3.897 2.051 -4.634 1.00 . A A . 30 LYS HA 1 1 22 12656 1 1 30 LYS HB2 H -3.750 -0.197 -5.666 1.00 . A A . 30 LYS HB2 1 1 22 12657 1 1 30 LYS HB3 H -4.839 -0.819 -4.450 1.00 . A A . 30 LYS HB3 1 1 22 12658 1 1 30 LYS HD2 H -6.383 1.827 -7.360 1.00 . A A . 30 LYS HD2 1 1 22 12659 1 1 30 LYS HD3 H -5.193 2.448 -6.224 1.00 . A A . 30 LYS HD3 1 1 22 12660 1 1 30 LYS HE2 H -3.464 1.082 -7.266 1.00 . A A . 30 LYS HE2 1 1 22 12661 1 1 30 LYS HE3 H -4.657 0.367 -8.349 1.00 . A A . 30 LYS HE3 1 1 22 12662 1 1 30 LYS HG2 H -6.045 -0.443 -6.493 1.00 . A A . 30 LYS HG2 1 1 22 12663 1 1 30 LYS HG3 H -6.618 0.668 -5.255 1.00 . A A . 30 LYS HG3 1 1 22 12664 1 1 30 LYS HZ1 H -3.868 3.229 -8.267 1.00 . A A . 30 LYS HZ1 1 1 22 12665 1 1 30 LYS HZ2 H -5.014 2.554 -9.315 1.00 . A A . 30 LYS HZ2 1 1 22 12666 1 1 30 LYS HZ3 H -3.391 2.097 -9.430 1.00 . A A . 30 LYS HZ3 1 1 22 12667 1 1 30 LYS N N -2.992 0.740 -3.299 1.00 . A A . 30 LYS N 1 1 22 12668 1 1 30 LYS NZ N -4.149 2.361 -8.769 1.00 . A A . 30 LYS NZ 1 1 22 12669 1 1 30 LYS O O -5.622 0.704 -2.237 1.00 . A A . 30 LYS O 1 1 22 12670 1 1 31 CYS C C -8.272 2.381 -2.832 1.00 . A A . 31 CYS C 1 1 22 12671 1 1 31 CYS CA C -6.979 3.055 -2.398 1.00 . A A . 31 CYS CA 1 1 22 12672 1 1 31 CYS CB C -7.149 4.586 -2.329 1.00 . A A . 31 CYS CB 1 1 22 12673 1 1 31 CYS H H -5.596 3.286 -3.986 1.00 . A A . 31 CYS H 1 1 22 12674 1 1 31 CYS HA H -6.732 2.717 -1.405 1.00 . A A . 31 CYS HA 1 1 22 12675 1 1 31 CYS HB2 H -7.434 4.840 -1.325 1.00 . A A . 31 CYS HB2 1 1 22 12676 1 1 31 CYS HB3 H -6.200 5.058 -2.547 1.00 . A A . 31 CYS HB3 1 1 22 12677 1 1 31 CYS N N -5.892 2.670 -3.274 1.00 . A A . 31 CYS N 1 1 22 12678 1 1 31 CYS O O -8.711 2.500 -3.977 1.00 . A A . 31 CYS O 1 1 22 12679 1 1 31 CYS SG S -8.395 5.302 -3.461 1.00 . A A . 31 CYS SG 1 1 22 12680 1 1 32 ILE C C -11.108 1.878 -1.228 1.00 . A A . 32 ILE C 1 1 22 12681 1 1 32 ILE CA C -10.161 1.069 -2.094 1.00 . A A . 32 ILE CA 1 1 22 12682 1 1 32 ILE CB C -10.236 -0.427 -1.710 1.00 . A A . 32 ILE CB 1 1 22 12683 1 1 32 ILE CD1 C -9.899 -2.078 0.210 1.00 . A A . 32 ILE CD1 1 1 22 12684 1 1 32 ILE CG1 C -9.886 -0.629 -0.232 1.00 . A A . 32 ILE CG1 1 1 22 12685 1 1 32 ILE CG2 C -9.310 -1.249 -2.594 1.00 . A A . 32 ILE CG2 1 1 22 12686 1 1 32 ILE H H -8.406 1.517 -1.049 1.00 . A A . 32 ILE H 1 1 22 12687 1 1 32 ILE HA H -10.470 1.171 -3.131 1.00 . A A . 32 ILE HA 1 1 22 12688 1 1 32 ILE HB H -11.246 -0.771 -1.882 1.00 . A A . 32 ILE HB 1 1 22 12689 1 1 32 ILE HD11 H -9.053 -2.595 -0.218 1.00 . A A . 32 ILE HD11 1 1 22 12690 1 1 32 ILE HD12 H -10.815 -2.552 -0.116 1.00 . A A . 32 ILE HD12 1 1 22 12691 1 1 32 ILE HD13 H -9.837 -2.123 1.287 1.00 . A A . 32 ILE HD13 1 1 22 12692 1 1 32 ILE HG12 H -8.901 -0.261 -0.044 1.00 . A A . 32 ILE HG12 1 1 22 12693 1 1 32 ILE HG13 H -10.596 -0.108 0.379 1.00 . A A . 32 ILE HG13 1 1 22 12694 1 1 32 ILE HG21 H -9.524 -1.043 -3.634 1.00 . A A . 32 ILE HG21 1 1 22 12695 1 1 32 ILE HG22 H -9.463 -2.301 -2.407 1.00 . A A . 32 ILE HG22 1 1 22 12696 1 1 32 ILE HG23 H -8.281 -0.991 -2.385 1.00 . A A . 32 ILE HG23 1 1 22 12697 1 1 32 ILE N N -8.835 1.613 -1.924 1.00 . A A . 32 ILE N 1 1 22 12698 1 1 32 ILE O O -10.656 2.588 -0.321 1.00 . A A . 32 ILE O 1 1 22 12699 1 1 33 ASN C C -13.215 2.805 0.621 1.00 . A A . 33 ASN C 1 1 22 12700 1 1 33 ASN CA C -13.417 2.617 -0.882 1.00 . A A . 33 ASN CA 1 1 22 12701 1 1 33 ASN CB C -14.816 2.056 -1.138 1.00 . A A . 33 ASN CB 1 1 22 12702 1 1 33 ASN CG C -15.159 1.987 -2.612 1.00 . A A . 33 ASN CG 1 1 22 12703 1 1 33 ASN H H -12.673 1.151 -2.223 1.00 . A A . 33 ASN H 1 1 22 12704 1 1 33 ASN HA H -13.344 3.585 -1.355 1.00 . A A . 33 ASN HA 1 1 22 12705 1 1 33 ASN HB2 H -14.872 1.056 -0.733 1.00 . A A . 33 ASN HB2 1 1 22 12706 1 1 33 ASN HB3 H -15.552 2.679 -0.644 1.00 . A A . 33 ASN HB3 1 1 22 12707 1 1 33 ASN HD21 H -15.951 3.817 -2.548 1.00 . A A . 33 ASN HD21 1 1 22 12708 1 1 33 ASN HD22 H -15.987 3.020 -4.080 1.00 . A A . 33 ASN HD22 1 1 22 12709 1 1 33 ASN N N -12.403 1.755 -1.492 1.00 . A A . 33 ASN N 1 1 22 12710 1 1 33 ASN ND2 N -15.757 3.046 -3.128 1.00 . A A . 33 ASN ND2 1 1 22 12711 1 1 33 ASN O O -13.468 3.887 1.152 1.00 . A A . 33 ASN O 1 1 22 12712 1 1 33 ASN OD1 O -14.897 0.983 -3.278 1.00 . A A . 33 ASN OD1 1 1 22 12713 1 1 34 LYS C C -11.189 2.069 3.219 1.00 . A A . 34 LYS C 1 1 22 12714 1 1 34 LYS CA C -12.629 1.802 2.740 1.00 . A A . 34 LYS CA 1 1 22 12715 1 1 34 LYS CB C -13.149 0.492 3.338 1.00 . A A . 34 LYS CB 1 1 22 12716 1 1 34 LYS CD C -13.742 -0.815 5.397 1.00 . A A . 34 LYS CD 1 1 22 12717 1 1 34 LYS CE C -13.624 -0.891 6.911 1.00 . A A . 34 LYS CE 1 1 22 12718 1 1 34 LYS CG C -13.152 0.475 4.854 1.00 . A A . 34 LYS CG 1 1 22 12719 1 1 34 LYS H H -12.568 0.916 0.833 1.00 . A A . 34 LYS H 1 1 22 12720 1 1 34 LYS HA H -13.253 2.602 3.121 1.00 . A A . 34 LYS HA 1 1 22 12721 1 1 34 LYS HB2 H -14.162 0.336 2.991 1.00 . A A . 34 LYS HB2 1 1 22 12722 1 1 34 LYS HB3 H -12.529 -0.322 2.987 1.00 . A A . 34 LYS HB3 1 1 22 12723 1 1 34 LYS HD2 H -14.786 -0.864 5.126 1.00 . A A . 34 LYS HD2 1 1 22 12724 1 1 34 LYS HD3 H -13.216 -1.657 4.965 1.00 . A A . 34 LYS HD3 1 1 22 12725 1 1 34 LYS HE2 H -14.140 -0.048 7.348 1.00 . A A . 34 LYS HE2 1 1 22 12726 1 1 34 LYS HE3 H -14.087 -1.807 7.248 1.00 . A A . 34 LYS HE3 1 1 22 12727 1 1 34 LYS HG2 H -12.136 0.570 5.203 1.00 . A A . 34 LYS HG2 1 1 22 12728 1 1 34 LYS HG3 H -13.738 1.308 5.215 1.00 . A A . 34 LYS HG3 1 1 22 12729 1 1 34 LYS HZ1 H -11.802 0.075 7.243 1.00 . A A . 34 LYS HZ1 1 1 22 12730 1 1 34 LYS HZ2 H -11.636 -1.553 6.805 1.00 . A A . 34 LYS HZ2 1 1 22 12731 1 1 34 LYS HZ3 H -12.150 -1.140 8.362 1.00 . A A . 34 LYS HZ3 1 1 22 12732 1 1 34 LYS N N -12.759 1.763 1.300 1.00 . A A . 34 LYS N 1 1 22 12733 1 1 34 LYS NZ N -12.205 -0.876 7.357 1.00 . A A . 34 LYS NZ 1 1 22 12734 1 1 34 LYS O O -10.989 2.609 4.312 1.00 . A A . 34 LYS O 1 1 22 12735 1 1 35 SER C C -7.791 1.793 1.761 1.00 . A A . 35 SER C 1 1 22 12736 1 1 35 SER CA C -8.802 1.709 2.904 1.00 . A A . 35 SER CA 1 1 22 12737 1 1 35 SER CB C -8.549 0.413 3.680 1.00 . A A . 35 SER CB 1 1 22 12738 1 1 35 SER H H -10.378 1.321 1.554 1.00 . A A . 35 SER H 1 1 22 12739 1 1 35 SER HA H -8.649 2.552 3.565 1.00 . A A . 35 SER HA 1 1 22 12740 1 1 35 SER HB2 H -8.631 -0.432 3.010 1.00 . A A . 35 SER HB2 1 1 22 12741 1 1 35 SER HB3 H -7.554 0.436 4.105 1.00 . A A . 35 SER HB3 1 1 22 12742 1 1 35 SER HG H -9.235 0.785 5.480 1.00 . A A . 35 SER HG 1 1 22 12743 1 1 35 SER N N -10.185 1.722 2.415 1.00 . A A . 35 SER N 1 1 22 12744 1 1 35 SER O O -8.136 1.598 0.609 1.00 . A A . 35 SER O 1 1 22 12745 1 1 35 SER OG O -9.485 0.238 4.731 1.00 . A A . 35 SER OG 1 1 22 12746 1 1 36 CYS C C -4.853 0.580 1.210 1.00 . A A . 36 CYS C 1 1 22 12747 1 1 36 CYS CA C -5.463 1.970 1.111 1.00 . A A . 36 CYS CA 1 1 22 12748 1 1 36 CYS CB C -4.397 3.050 1.315 1.00 . A A . 36 CYS CB 1 1 22 12749 1 1 36 CYS H H -6.309 2.249 3.028 1.00 . A A . 36 CYS H 1 1 22 12750 1 1 36 CYS HA H -5.876 2.085 0.122 1.00 . A A . 36 CYS HA 1 1 22 12751 1 1 36 CYS HB2 H -4.210 3.170 2.372 1.00 . A A . 36 CYS HB2 1 1 22 12752 1 1 36 CYS HB3 H -3.477 2.755 0.824 1.00 . A A . 36 CYS HB3 1 1 22 12753 1 1 36 CYS N N -6.541 2.093 2.083 1.00 . A A . 36 CYS N 1 1 22 12754 1 1 36 CYS O O -4.131 0.272 2.155 1.00 . A A . 36 CYS O 1 1 22 12755 1 1 36 CYS SG S -4.868 4.682 0.647 1.00 . A A . 36 CYS SG 1 1 22 12756 1 1 37 LYS C C -3.438 -1.828 -0.465 1.00 . A A . 37 LYS C 1 1 22 12757 1 1 37 LYS CA C -4.772 -1.651 0.252 1.00 . A A . 37 LYS CA 1 1 22 12758 1 1 37 LYS CB C -5.874 -2.500 -0.410 1.00 . A A . 37 LYS CB 1 1 22 12759 1 1 37 LYS CD C -4.716 -4.709 -0.886 1.00 . A A . 37 LYS CD 1 1 22 12760 1 1 37 LYS CE C -4.944 -4.630 -2.388 1.00 . A A . 37 LYS CE 1 1 22 12761 1 1 37 LYS CG C -5.814 -3.998 -0.106 1.00 . A A . 37 LYS CG 1 1 22 12762 1 1 37 LYS H H -5.760 0.056 -0.493 1.00 . A A . 37 LYS H 1 1 22 12763 1 1 37 LYS HA H -4.671 -1.967 1.287 1.00 . A A . 37 LYS HA 1 1 22 12764 1 1 37 LYS HB2 H -6.828 -2.145 -0.039 1.00 . A A . 37 LYS HB2 1 1 22 12765 1 1 37 LYS HB3 H -5.857 -2.342 -1.474 1.00 . A A . 37 LYS HB3 1 1 22 12766 1 1 37 LYS HD2 H -3.782 -4.273 -0.652 1.00 . A A . 37 LYS HD2 1 1 22 12767 1 1 37 LYS HD3 H -4.706 -5.749 -0.595 1.00 . A A . 37 LYS HD3 1 1 22 12768 1 1 37 LYS HE2 H -5.029 -3.604 -2.700 1.00 . A A . 37 LYS HE2 1 1 22 12769 1 1 37 LYS HE3 H -4.088 -5.071 -2.878 1.00 . A A . 37 LYS HE3 1 1 22 12770 1 1 37 LYS HG2 H -5.627 -4.133 0.950 1.00 . A A . 37 LYS HG2 1 1 22 12771 1 1 37 LYS HG3 H -6.767 -4.441 -0.354 1.00 . A A . 37 LYS HG3 1 1 22 12772 1 1 37 LYS HZ1 H -7.013 -4.921 -2.431 1.00 . A A . 37 LYS HZ1 1 1 22 12773 1 1 37 LYS HZ2 H -6.122 -6.360 -2.473 1.00 . A A . 37 LYS HZ2 1 1 22 12774 1 1 37 LYS HZ3 H -6.223 -5.386 -3.850 1.00 . A A . 37 LYS HZ3 1 1 22 12775 1 1 37 LYS N N -5.168 -0.255 0.234 1.00 . A A . 37 LYS N 1 1 22 12776 1 1 37 LYS NZ N -6.159 -5.376 -2.812 1.00 . A A . 37 LYS NZ 1 1 22 12777 1 1 37 LYS O O -3.321 -1.555 -1.662 1.00 . A A . 37 LYS O 1 1 22 12778 1 1 38 CYS C C -1.106 -3.962 -0.861 1.00 . A A . 38 CYS C 1 1 22 12779 1 1 38 CYS CA C -1.129 -2.548 -0.295 1.00 . A A . 38 CYS CA 1 1 22 12780 1 1 38 CYS CB C -0.035 -2.377 0.762 1.00 . A A . 38 CYS CB 1 1 22 12781 1 1 38 CYS H H -2.586 -2.465 1.231 1.00 . A A . 38 CYS H 1 1 22 12782 1 1 38 CYS HA H -0.955 -1.850 -1.088 1.00 . A A . 38 CYS HA 1 1 22 12783 1 1 38 CYS HB2 H -0.249 -3.034 1.593 1.00 . A A . 38 CYS HB2 1 1 22 12784 1 1 38 CYS HB3 H 0.919 -2.651 0.334 1.00 . A A . 38 CYS HB3 1 1 22 12785 1 1 38 CYS N N -2.435 -2.270 0.275 1.00 . A A . 38 CYS N 1 1 22 12786 1 1 38 CYS O O -1.699 -4.875 -0.287 1.00 . A A . 38 CYS O 1 1 22 12787 1 1 38 CYS SG S 0.099 -0.685 1.427 1.00 . A A . 38 CYS SG 1 1 22 12788 1 1 39 TYR C C 0.515 -6.434 -2.005 1.00 . A A . 39 TYR C 1 1 22 12789 1 1 39 TYR CA C -0.409 -5.426 -2.678 1.00 . A A . 39 TYR CA 1 1 22 12790 1 1 39 TYR CB C 0.016 -5.244 -4.139 1.00 . A A . 39 TYR CB 1 1 22 12791 1 1 39 TYR CD1 C -0.905 -3.055 -4.998 1.00 . A A . 39 TYR CD1 1 1 22 12792 1 1 39 TYR CD2 C -1.914 -5.074 -5.758 1.00 . A A . 39 TYR CD2 1 1 22 12793 1 1 39 TYR CE1 C -1.783 -2.320 -5.768 1.00 . A A . 39 TYR CE1 1 1 22 12794 1 1 39 TYR CE2 C -2.797 -4.346 -6.530 1.00 . A A . 39 TYR CE2 1 1 22 12795 1 1 39 TYR CG C -0.954 -4.442 -4.977 1.00 . A A . 39 TYR CG 1 1 22 12796 1 1 39 TYR CZ C -2.726 -2.970 -6.533 1.00 . A A . 39 TYR CZ 1 1 22 12797 1 1 39 TYR H H 0.055 -3.376 -2.382 1.00 . A A . 39 TYR H 1 1 22 12798 1 1 39 TYR HA H -1.417 -5.826 -2.662 1.00 . A A . 39 TYR HA 1 1 22 12799 1 1 39 TYR HB2 H 0.973 -4.740 -4.160 1.00 . A A . 39 TYR HB2 1 1 22 12800 1 1 39 TYR HB3 H 0.131 -6.220 -4.601 1.00 . A A . 39 TYR HB3 1 1 22 12801 1 1 39 TYR HD1 H -0.185 -2.556 -4.411 1.00 . A A . 39 TYR HD1 1 1 22 12802 1 1 39 TYR HD2 H -1.971 -6.154 -5.756 1.00 . A A . 39 TYR HD2 1 1 22 12803 1 1 39 TYR HE1 H -1.727 -1.241 -5.770 1.00 . A A . 39 TYR HE1 1 1 22 12804 1 1 39 TYR HE2 H -3.537 -4.856 -7.130 1.00 . A A . 39 TYR HE2 1 1 22 12805 1 1 39 TYR HH H -3.216 -2.093 -8.171 1.00 . A A . 39 TYR HH 1 1 22 12806 1 1 39 TYR N N -0.412 -4.144 -1.976 1.00 . A A . 39 TYR N 1 1 22 12807 1 1 39 TYR O O 0.662 -7.560 -2.473 1.00 . A A . 39 TYR O 1 1 22 12808 1 1 39 TYR OH O -3.601 -2.243 -7.304 1.00 . A A . 39 TYR OH 1 1 22 12809 1 1 40 GLY C C 3.367 -7.052 -0.816 1.00 . A A . 40 GLY C 1 1 22 12810 1 1 40 GLY CA C 2.009 -6.901 -0.163 1.00 . A A . 40 GLY CA 1 1 22 12811 1 1 40 GLY H H 1.017 -5.116 -0.570 1.00 . A A . 40 GLY H 1 1 22 12812 1 1 40 GLY HA2 H 2.133 -6.500 0.834 1.00 . A A . 40 GLY HA2 1 1 22 12813 1 1 40 GLY HA3 H 1.550 -7.879 -0.083 1.00 . A A . 40 GLY HA3 1 1 22 12814 1 1 40 GLY N N 1.138 -6.017 -0.910 1.00 . A A . 40 GLY N 1 1 22 12815 1 1 40 GLY O O 3.505 -7.741 -1.826 1.00 . A A . 40 GLY O 1 1 22 12816 1 1 41 CYS C C 6.728 -6.097 0.259 1.00 . A A . 41 CYS C 1 1 22 12817 1 1 41 CYS CA C 5.707 -6.440 -0.812 1.00 . A A . 41 CYS CA 1 1 22 12818 1 1 41 CYS CB C 5.809 -5.462 -1.982 1.00 . A A . 41 CYS CB 1 1 22 12819 1 1 41 CYS H H 4.204 -5.872 0.563 1.00 . A A . 41 CYS H 1 1 22 12820 1 1 41 CYS HA H 5.910 -7.443 -1.171 1.00 . A A . 41 CYS HA 1 1 22 12821 1 1 41 CYS HB2 H 5.008 -5.681 -2.676 1.00 . A A . 41 CYS HB2 1 1 22 12822 1 1 41 CYS HB3 H 5.670 -4.484 -1.603 1.00 . A A . 41 CYS HB3 1 1 22 12823 1 1 41 CYS N N 4.371 -6.414 -0.246 1.00 . A A . 41 CYS N 1 1 22 12824 1 1 41 CYS O O 7.398 -7.027 0.757 1.00 . A A . 41 CYS O 1 1 22 12825 1 1 41 CYS OXT O 6.822 -4.912 0.634 1.00 . A A . 41 CYS OXT 1 1 22 12826 1 1 41 CYS SG S 7.374 -5.561 -2.915 1.00 . A A . 41 CYS SG 1 1 23 12827 1 1 1 TRP C C 4.346 5.607 13.088 1.00 . A A . 1 TRP C 1 1 23 12828 1 1 1 TRP CA C 4.812 4.157 13.098 1.00 . A A . 1 TRP CA 1 1 23 12829 1 1 1 TRP CB C 5.547 3.844 11.792 1.00 . A A . 1 TRP CB 1 1 23 12830 1 1 1 TRP CD1 C 6.196 1.438 11.191 1.00 . A A . 1 TRP CD1 1 1 23 12831 1 1 1 TRP CD2 C 7.586 2.437 12.635 1.00 . A A . 1 TRP CD2 1 1 23 12832 1 1 1 TRP CE2 C 8.054 1.133 12.391 1.00 . A A . 1 TRP CE2 1 1 23 12833 1 1 1 TRP CE3 C 8.301 3.258 13.514 1.00 . A A . 1 TRP CE3 1 1 23 12834 1 1 1 TRP CG C 6.396 2.613 11.857 1.00 . A A . 1 TRP CG 1 1 23 12835 1 1 1 TRP CH2 C 9.886 1.458 13.847 1.00 . A A . 1 TRP CH2 1 1 23 12836 1 1 1 TRP CZ2 C 9.206 0.632 12.995 1.00 . A A . 1 TRP CZ2 1 1 23 12837 1 1 1 TRP CZ3 C 9.442 2.759 14.111 1.00 . A A . 1 TRP CZ3 1 1 23 12838 1 1 1 TRP H1 H 4.053 2.259 13.319 1.00 . A A . 1 TRP H1 1 1 23 12839 1 1 1 TRP H2 H 3.006 3.352 12.504 1.00 . A A . 1 TRP H2 1 1 23 12840 1 1 1 TRP H3 H 3.224 3.466 14.205 1.00 . A A . 1 TRP H3 1 1 23 12841 1 1 1 TRP HA H 5.494 4.029 13.929 1.00 . A A . 1 TRP HA 1 1 23 12842 1 1 1 TRP HB2 H 4.821 3.713 11.003 1.00 . A A . 1 TRP HB2 1 1 23 12843 1 1 1 TRP HB3 H 6.197 4.672 11.535 1.00 . A A . 1 TRP HB3 1 1 23 12844 1 1 1 TRP HD1 H 5.373 1.253 10.517 1.00 . A A . 1 TRP HD1 1 1 23 12845 1 1 1 TRP HE1 H 7.267 -0.368 11.156 1.00 . A A . 1 TRP HE1 1 1 23 12846 1 1 1 TRP HE3 H 7.974 4.264 13.730 1.00 . A A . 1 TRP HE3 1 1 23 12847 1 1 1 TRP HH2 H 10.783 1.109 14.337 1.00 . A A . 1 TRP HH2 1 1 23 12848 1 1 1 TRP HZ2 H 9.563 -0.369 12.802 1.00 . A A . 1 TRP HZ2 1 1 23 12849 1 1 1 TRP HZ3 H 10.008 3.379 14.791 1.00 . A A . 1 TRP HZ3 1 1 23 12850 1 1 1 TRP N N 3.676 3.231 13.296 1.00 . A A . 1 TRP N 1 1 23 12851 1 1 1 TRP NE1 N 7.190 0.544 11.507 1.00 . A A . 1 TRP NE1 1 1 23 12852 1 1 1 TRP O O 4.643 6.367 14.010 1.00 . A A . 1 TRP O 1 1 23 12853 1 1 2 CYS C C 1.871 7.661 12.549 1.00 . A A . 2 CYS C 1 1 23 12854 1 1 2 CYS CA C 3.214 7.375 11.881 1.00 . A A . 2 CYS CA 1 1 23 12855 1 1 2 CYS CB C 3.166 7.724 10.390 1.00 . A A . 2 CYS CB 1 1 23 12856 1 1 2 CYS H H 3.394 5.330 11.366 1.00 . A A . 2 CYS H 1 1 23 12857 1 1 2 CYS HA H 3.972 8.005 12.338 1.00 . A A . 2 CYS HA 1 1 23 12858 1 1 2 CYS HB2 H 2.677 8.672 10.259 1.00 . A A . 2 CYS HB2 1 1 23 12859 1 1 2 CYS HB3 H 4.180 7.804 10.024 1.00 . A A . 2 CYS HB3 1 1 23 12860 1 1 2 CYS N N 3.613 5.989 12.055 1.00 . A A . 2 CYS N 1 1 23 12861 1 1 2 CYS O O 0.836 7.135 12.140 1.00 . A A . 2 CYS O 1 1 23 12862 1 1 2 CYS SG S 2.310 6.488 9.355 1.00 . A A . 2 CYS SG 1 1 23 12863 1 1 3 SER C C -0.045 9.977 13.434 1.00 . A A . 3 SER C 1 1 23 12864 1 1 3 SER CA C 0.678 8.917 14.259 1.00 . A A . 3 SER CA 1 1 23 12865 1 1 3 SER CB C 1.010 9.451 15.651 1.00 . A A . 3 SER CB 1 1 23 12866 1 1 3 SER H H 2.758 8.893 13.860 1.00 . A A . 3 SER H 1 1 23 12867 1 1 3 SER HA H 0.028 8.056 14.363 1.00 . A A . 3 SER HA 1 1 23 12868 1 1 3 SER HB2 H 1.617 10.342 15.564 1.00 . A A . 3 SER HB2 1 1 23 12869 1 1 3 SER HB3 H 0.095 9.687 16.175 1.00 . A A . 3 SER HB3 1 1 23 12870 1 1 3 SER HG H 1.943 8.843 17.265 1.00 . A A . 3 SER HG 1 1 23 12871 1 1 3 SER N N 1.897 8.499 13.579 1.00 . A A . 3 SER N 1 1 23 12872 1 1 3 SER O O -1.196 10.323 13.704 1.00 . A A . 3 SER O 1 1 23 12873 1 1 3 SER OG O 1.729 8.484 16.401 1.00 . A A . 3 SER OG 1 1 23 12874 1 1 4 THR C C -0.815 10.662 10.482 1.00 . A A . 4 THR C 1 1 23 12875 1 1 4 THR CA C 0.055 11.420 11.480 1.00 . A A . 4 THR CA 1 1 23 12876 1 1 4 THR CB C 1.151 12.220 10.733 1.00 . A A . 4 THR CB 1 1 23 12877 1 1 4 THR CG2 C 2.060 11.294 9.938 1.00 . A A . 4 THR CG2 1 1 23 12878 1 1 4 THR H H 1.553 10.177 12.252 1.00 . A A . 4 THR H 1 1 23 12879 1 1 4 THR HA H -0.569 12.114 12.031 1.00 . A A . 4 THR HA 1 1 23 12880 1 1 4 THR HB H 1.759 12.743 11.459 1.00 . A A . 4 THR HB 1 1 23 12881 1 1 4 THR HG1 H 1.175 13.906 9.704 1.00 . A A . 4 THR HG1 1 1 23 12882 1 1 4 THR HG21 H 2.715 10.769 10.613 1.00 . A A . 4 THR HG21 1 1 23 12883 1 1 4 THR HG22 H 2.658 11.888 9.263 1.00 . A A . 4 THR HG22 1 1 23 12884 1 1 4 THR HG23 H 1.486 10.584 9.363 1.00 . A A . 4 THR HG23 1 1 23 12885 1 1 4 THR N N 0.644 10.480 12.417 1.00 . A A . 4 THR N 1 1 23 12886 1 1 4 THR O O -1.677 11.235 9.813 1.00 . A A . 4 THR O 1 1 23 12887 1 1 4 THR OG1 O 0.559 13.184 9.856 1.00 . A A . 4 THR OG1 1 1 23 12888 1 1 5 CYS C C -2.676 8.114 10.341 1.00 . A A . 5 CYS C 1 1 23 12889 1 1 5 CYS CA C -1.413 8.492 9.579 1.00 . A A . 5 CYS CA 1 1 23 12890 1 1 5 CYS CB C -0.630 7.236 9.189 1.00 . A A . 5 CYS CB 1 1 23 12891 1 1 5 CYS H H 0.088 8.940 10.964 1.00 . A A . 5 CYS H 1 1 23 12892 1 1 5 CYS HA H -1.692 9.026 8.677 1.00 . A A . 5 CYS HA 1 1 23 12893 1 1 5 CYS HB2 H -0.413 6.662 10.076 1.00 . A A . 5 CYS HB2 1 1 23 12894 1 1 5 CYS HB3 H -1.234 6.644 8.531 1.00 . A A . 5 CYS HB3 1 1 23 12895 1 1 5 CYS N N -0.598 9.357 10.408 1.00 . A A . 5 CYS N 1 1 23 12896 1 1 5 CYS O O -2.817 6.985 10.818 1.00 . A A . 5 CYS O 1 1 23 12897 1 1 5 CYS SG S 0.939 7.574 8.324 1.00 . A A . 5 CYS SG 1 1 23 12898 1 1 6 LEU C C -5.791 8.035 10.410 1.00 . A A . 6 LEU C 1 1 23 12899 1 1 6 LEU CA C -4.809 8.858 11.223 1.00 . A A . 6 LEU CA 1 1 23 12900 1 1 6 LEU CB C -5.434 10.200 11.608 1.00 . A A . 6 LEU CB 1 1 23 12901 1 1 6 LEU CD1 C -6.382 9.428 13.796 1.00 . A A . 6 LEU CD1 1 1 23 12902 1 1 6 LEU CD2 C -7.273 11.499 12.702 1.00 . A A . 6 LEU CD2 1 1 23 12903 1 1 6 LEU CG C -6.692 10.111 12.471 1.00 . A A . 6 LEU CG 1 1 23 12904 1 1 6 LEU H H -3.423 9.953 10.059 1.00 . A A . 6 LEU H 1 1 23 12905 1 1 6 LEU HA H -4.557 8.313 12.123 1.00 . A A . 6 LEU HA 1 1 23 12906 1 1 6 LEU HB2 H -4.688 10.775 12.143 1.00 . A A . 6 LEU HB2 1 1 23 12907 1 1 6 LEU HB3 H -5.680 10.731 10.696 1.00 . A A . 6 LEU HB3 1 1 23 12908 1 1 6 LEU HD11 H -6.074 8.410 13.618 1.00 . A A . 6 LEU HD11 1 1 23 12909 1 1 6 LEU HD12 H -7.267 9.423 14.418 1.00 . A A . 6 LEU HD12 1 1 23 12910 1 1 6 LEU HD13 H -5.591 9.960 14.306 1.00 . A A . 6 LEU HD13 1 1 23 12911 1 1 6 LEU HD21 H -8.176 11.420 13.292 1.00 . A A . 6 LEU HD21 1 1 23 12912 1 1 6 LEU HD22 H -7.509 11.956 11.751 1.00 . A A . 6 LEU HD22 1 1 23 12913 1 1 6 LEU HD23 H -6.554 12.114 13.227 1.00 . A A . 6 LEU HD23 1 1 23 12914 1 1 6 LEU HG H -7.438 9.521 11.959 1.00 . A A . 6 LEU HG 1 1 23 12915 1 1 6 LEU N N -3.590 9.068 10.461 1.00 . A A . 6 LEU N 1 1 23 12916 1 1 6 LEU O O -6.233 6.972 10.846 1.00 . A A . 6 LEU O 1 1 23 12917 1 1 7 ASP C C -6.288 7.686 6.949 1.00 . A A . 7 ASP C 1 1 23 12918 1 1 7 ASP CA C -6.954 7.768 8.313 1.00 . A A . 7 ASP CA 1 1 23 12919 1 1 7 ASP CB C -8.350 8.394 8.192 1.00 . A A . 7 ASP CB 1 1 23 12920 1 1 7 ASP CG C -8.364 9.686 7.397 1.00 . A A . 7 ASP CG 1 1 23 12921 1 1 7 ASP H H -5.729 9.374 8.925 1.00 . A A . 7 ASP H 1 1 23 12922 1 1 7 ASP HA H -7.072 6.759 8.695 1.00 . A A . 7 ASP HA 1 1 23 12923 1 1 7 ASP HB2 H -9.008 7.689 7.706 1.00 . A A . 7 ASP HB2 1 1 23 12924 1 1 7 ASP HB3 H -8.727 8.601 9.183 1.00 . A A . 7 ASP HB3 1 1 23 12925 1 1 7 ASP N N -6.118 8.519 9.228 1.00 . A A . 7 ASP N 1 1 23 12926 1 1 7 ASP O O -5.880 8.697 6.377 1.00 . A A . 7 ASP O 1 1 23 12927 1 1 7 ASP OD1 O -7.697 10.660 7.810 1.00 . A A . 7 ASP OD1 1 1 23 12928 1 1 7 ASP OD2 O -9.055 9.740 6.356 1.00 . A A . 7 ASP OD2 1 1 23 12929 1 1 8 LEU C C -6.732 5.836 4.213 1.00 . A A . 8 LEU C 1 1 23 12930 1 1 8 LEU CA C -5.606 6.288 5.108 1.00 . A A . 8 LEU CA 1 1 23 12931 1 1 8 LEU CB C -4.444 5.282 5.072 1.00 . A A . 8 LEU CB 1 1 23 12932 1 1 8 LEU CD1 C -3.389 5.445 7.358 1.00 . A A . 8 LEU CD1 1 1 23 12933 1 1 8 LEU CD2 C -1.987 4.881 5.364 1.00 . A A . 8 LEU CD2 1 1 23 12934 1 1 8 LEU CG C -3.188 5.668 5.865 1.00 . A A . 8 LEU CG 1 1 23 12935 1 1 8 LEU H H -6.415 5.685 6.962 1.00 . A A . 8 LEU H 1 1 23 12936 1 1 8 LEU HA H -5.244 7.231 4.736 1.00 . A A . 8 LEU HA 1 1 23 12937 1 1 8 LEU HB2 H -4.807 4.330 5.441 1.00 . A A . 8 LEU HB2 1 1 23 12938 1 1 8 LEU HB3 H -4.160 5.151 4.033 1.00 . A A . 8 LEU HB3 1 1 23 12939 1 1 8 LEU HD11 H -2.443 5.257 7.841 1.00 . A A . 8 LEU HD11 1 1 23 12940 1 1 8 LEU HD12 H -4.039 4.595 7.525 1.00 . A A . 8 LEU HD12 1 1 23 12941 1 1 8 LEU HD13 H -3.839 6.326 7.791 1.00 . A A . 8 LEU HD13 1 1 23 12942 1 1 8 LEU HD21 H -1.126 5.090 5.986 1.00 . A A . 8 LEU HD21 1 1 23 12943 1 1 8 LEU HD22 H -1.768 5.178 4.355 1.00 . A A . 8 LEU HD22 1 1 23 12944 1 1 8 LEU HD23 H -2.201 3.821 5.393 1.00 . A A . 8 LEU HD23 1 1 23 12945 1 1 8 LEU HG H -2.981 6.718 5.713 1.00 . A A . 8 LEU HG 1 1 23 12946 1 1 8 LEU N N -6.122 6.477 6.452 1.00 . A A . 8 LEU N 1 1 23 12947 1 1 8 LEU O O -6.541 5.534 3.031 1.00 . A A . 8 LEU O 1 1 23 12948 1 1 9 ALA C C -9.486 6.177 2.930 1.00 . A A . 9 ALA C 1 1 23 12949 1 1 9 ALA CA C -9.149 5.400 4.196 1.00 . A A . 9 ALA CA 1 1 23 12950 1 1 9 ALA CB C -10.271 5.518 5.208 1.00 . A A . 9 ALA CB 1 1 23 12951 1 1 9 ALA H H -7.983 6.184 5.723 1.00 . A A . 9 ALA H 1 1 23 12952 1 1 9 ALA HA H -9.025 4.355 3.952 1.00 . A A . 9 ALA HA 1 1 23 12953 1 1 9 ALA HB1 H -11.222 5.514 4.712 1.00 . A A . 9 ALA HB1 1 1 23 12954 1 1 9 ALA HB2 H -10.168 6.441 5.762 1.00 . A A . 9 ALA HB2 1 1 23 12955 1 1 9 ALA HB3 H -10.222 4.684 5.893 1.00 . A A . 9 ALA HB3 1 1 23 12956 1 1 9 ALA N N -7.915 5.876 4.803 1.00 . A A . 9 ALA N 1 1 23 12957 1 1 9 ALA O O -10.369 7.036 2.932 1.00 . A A . 9 ALA O 1 1 23 12958 1 1 10 CYS C C -8.367 8.015 0.859 1.00 . A A . 10 CYS C 1 1 23 12959 1 1 10 CYS CA C -8.845 6.595 0.617 1.00 . A A . 10 CYS CA 1 1 23 12960 1 1 10 CYS CB C -10.241 6.559 -0.009 1.00 . A A . 10 CYS CB 1 1 23 12961 1 1 10 CYS H H -8.113 5.127 1.923 1.00 . A A . 10 CYS H 1 1 23 12962 1 1 10 CYS HA H -8.133 6.163 -0.042 1.00 . A A . 10 CYS HA 1 1 23 12963 1 1 10 CYS HB2 H -10.994 6.695 0.745 1.00 . A A . 10 CYS HB2 1 1 23 12964 1 1 10 CYS HB3 H -10.332 7.348 -0.744 1.00 . A A . 10 CYS HB3 1 1 23 12965 1 1 10 CYS N N -8.788 5.840 1.854 1.00 . A A . 10 CYS N 1 1 23 12966 1 1 10 CYS O O -9.036 8.993 0.511 1.00 . A A . 10 CYS O 1 1 23 12967 1 1 10 CYS SG S -10.597 4.992 -0.868 1.00 . A A . 10 CYS SG 1 1 23 12968 1 1 11 THR C C -5.832 9.777 0.355 1.00 . A A . 11 THR C 1 1 23 12969 1 1 11 THR CA C -6.531 9.394 1.661 1.00 . A A . 11 THR CA 1 1 23 12970 1 1 11 THR CB C -5.504 9.337 2.819 1.00 . A A . 11 THR CB 1 1 23 12971 1 1 11 THR CG2 C -4.385 8.352 2.515 1.00 . A A . 11 THR CG2 1 1 23 12972 1 1 11 THR H H -6.730 7.290 1.748 1.00 . A A . 11 THR H 1 1 23 12973 1 1 11 THR HA H -7.277 10.147 1.891 1.00 . A A . 11 THR HA 1 1 23 12974 1 1 11 THR HB H -6.006 9.008 3.718 1.00 . A A . 11 THR HB 1 1 23 12975 1 1 11 THR HG1 H -5.563 11.165 3.565 1.00 . A A . 11 THR HG1 1 1 23 12976 1 1 11 THR HG21 H -3.776 8.228 3.399 1.00 . A A . 11 THR HG21 1 1 23 12977 1 1 11 THR HG22 H -3.770 8.732 1.717 1.00 . A A . 11 THR HG22 1 1 23 12978 1 1 11 THR HG23 H -4.792 7.395 2.231 1.00 . A A . 11 THR HG23 1 1 23 12979 1 1 11 THR N N -7.199 8.113 1.487 1.00 . A A . 11 THR N 1 1 23 12980 1 1 11 THR O O -5.480 10.933 0.129 1.00 . A A . 11 THR O 1 1 23 12981 1 1 11 THR OG1 O -4.942 10.633 3.061 1.00 . A A . 11 THR OG1 1 1 23 12982 1 1 12 GLY C C -3.987 7.922 -2.033 1.00 . A A . 12 GLY C 1 1 23 12983 1 1 12 GLY CA C -5.016 8.995 -1.779 1.00 . A A . 12 GLY CA 1 1 23 12984 1 1 12 GLY H H -5.990 7.885 -0.302 1.00 . A A . 12 GLY H 1 1 23 12985 1 1 12 GLY HA2 H -5.761 8.968 -2.563 1.00 . A A . 12 GLY HA2 1 1 23 12986 1 1 12 GLY HA3 H -4.526 9.955 -1.803 1.00 . A A . 12 GLY HA3 1 1 23 12987 1 1 12 GLY N N -5.676 8.789 -0.513 1.00 . A A . 12 GLY N 1 1 23 12988 1 1 12 GLY O O -3.288 7.506 -1.109 1.00 . A A . 12 GLY O 1 1 23 12989 1 1 13 SER C C -1.512 7.028 -3.423 1.00 . A A . 13 SER C 1 1 23 12990 1 1 13 SER CA C -2.909 6.448 -3.616 1.00 . A A . 13 SER CA 1 1 23 12991 1 1 13 SER CB C -3.110 5.980 -5.062 1.00 . A A . 13 SER CB 1 1 23 12992 1 1 13 SER H H -4.506 7.799 -3.962 1.00 . A A . 13 SER H 1 1 23 12993 1 1 13 SER HA H -3.028 5.599 -2.954 1.00 . A A . 13 SER HA 1 1 23 12994 1 1 13 SER HB2 H -2.288 5.343 -5.360 1.00 . A A . 13 SER HB2 1 1 23 12995 1 1 13 SER HB3 H -4.034 5.424 -5.128 1.00 . A A . 13 SER HB3 1 1 23 12996 1 1 13 SER HG H -3.324 6.764 -6.850 1.00 . A A . 13 SER HG 1 1 23 12997 1 1 13 SER N N -3.905 7.445 -3.263 1.00 . A A . 13 SER N 1 1 23 12998 1 1 13 SER O O -0.666 6.437 -2.749 1.00 . A A . 13 SER O 1 1 23 12999 1 1 13 SER OG O -3.182 7.084 -5.956 1.00 . A A . 13 SER OG 1 1 23 13000 1 1 14 LYS C C 0.262 9.216 -2.402 1.00 . A A . 14 LYS C 1 1 23 13001 1 1 14 LYS CA C -0.028 8.917 -3.865 1.00 . A A . 14 LYS CA 1 1 23 13002 1 1 14 LYS CB C -0.076 10.234 -4.643 1.00 . A A . 14 LYS CB 1 1 23 13003 1 1 14 LYS CD C 0.334 9.472 -7.018 1.00 . A A . 14 LYS CD 1 1 23 13004 1 1 14 LYS CE C -0.283 9.341 -8.405 1.00 . A A . 14 LYS CE 1 1 23 13005 1 1 14 LYS CG C -0.645 10.108 -6.047 1.00 . A A . 14 LYS CG 1 1 23 13006 1 1 14 LYS H H -2.044 8.640 -4.462 1.00 . A A . 14 LYS H 1 1 23 13007 1 1 14 LYS HA H 0.737 8.311 -4.261 1.00 . A A . 14 LYS HA 1 1 23 13008 1 1 14 LYS HB2 H -0.698 10.940 -4.105 1.00 . A A . 14 LYS HB2 1 1 23 13009 1 1 14 LYS HB3 H 0.926 10.637 -4.710 1.00 . A A . 14 LYS HB3 1 1 23 13010 1 1 14 LYS HD2 H 1.219 10.088 -7.084 1.00 . A A . 14 LYS HD2 1 1 23 13011 1 1 14 LYS HD3 H 0.594 8.506 -6.660 1.00 . A A . 14 LYS HD3 1 1 23 13012 1 1 14 LYS HE2 H 0.470 8.972 -9.085 1.00 . A A . 14 LYS HE2 1 1 23 13013 1 1 14 LYS HE3 H -1.098 8.634 -8.356 1.00 . A A . 14 LYS HE3 1 1 23 13014 1 1 14 LYS HG2 H -1.554 9.533 -6.036 1.00 . A A . 14 LYS HG2 1 1 23 13015 1 1 14 LYS HG3 H -0.871 11.105 -6.396 1.00 . A A . 14 LYS HG3 1 1 23 13016 1 1 14 LYS HZ1 H -0.987 10.564 -9.937 1.00 . A A . 14 LYS HZ1 1 1 23 13017 1 1 14 LYS HZ2 H -0.104 11.401 -8.765 1.00 . A A . 14 LYS HZ2 1 1 23 13018 1 1 14 LYS HZ3 H -1.686 10.891 -8.435 1.00 . A A . 14 LYS HZ3 1 1 23 13019 1 1 14 LYS N N -1.301 8.215 -3.983 1.00 . A A . 14 LYS N 1 1 23 13020 1 1 14 LYS NZ N -0.799 10.639 -8.917 1.00 . A A . 14 LYS NZ 1 1 23 13021 1 1 14 LYS O O 1.391 9.081 -1.930 1.00 . A A . 14 LYS O 1 1 23 13022 1 1 15 ASP C C -0.350 8.769 0.573 1.00 . A A . 15 ASP C 1 1 23 13023 1 1 15 ASP CA C -0.710 9.974 -0.288 1.00 . A A . 15 ASP CA 1 1 23 13024 1 1 15 ASP CB C -2.058 10.548 0.172 1.00 . A A . 15 ASP CB 1 1 23 13025 1 1 15 ASP CG C -2.516 11.736 -0.658 1.00 . A A . 15 ASP CG 1 1 23 13026 1 1 15 ASP H H -1.662 9.676 -2.146 1.00 . A A . 15 ASP H 1 1 23 13027 1 1 15 ASP HA H 0.052 10.732 -0.172 1.00 . A A . 15 ASP HA 1 1 23 13028 1 1 15 ASP HB2 H -2.814 9.781 0.094 1.00 . A A . 15 ASP HB2 1 1 23 13029 1 1 15 ASP HB3 H -1.978 10.864 1.204 1.00 . A A . 15 ASP HB3 1 1 23 13030 1 1 15 ASP N N -0.788 9.606 -1.696 1.00 . A A . 15 ASP N 1 1 23 13031 1 1 15 ASP O O 0.338 8.897 1.584 1.00 . A A . 15 ASP O 1 1 23 13032 1 1 15 ASP OD1 O -2.778 11.554 -1.871 1.00 . A A . 15 ASP OD1 1 1 23 13033 1 1 15 ASP OD2 O -2.644 12.850 -0.104 1.00 . A A . 15 ASP OD2 1 1 23 13034 1 1 16 CYS C C 0.676 5.663 0.561 1.00 . A A . 16 CYS C 1 1 23 13035 1 1 16 CYS CA C -0.622 6.381 0.937 1.00 . A A . 16 CYS CA 1 1 23 13036 1 1 16 CYS CB C -1.823 5.448 0.749 1.00 . A A . 16 CYS CB 1 1 23 13037 1 1 16 CYS H H -1.356 7.545 -0.661 1.00 . A A . 16 CYS H 1 1 23 13038 1 1 16 CYS HA H -0.567 6.648 1.986 1.00 . A A . 16 CYS HA 1 1 23 13039 1 1 16 CYS HB2 H -2.724 5.982 1.010 1.00 . A A . 16 CYS HB2 1 1 23 13040 1 1 16 CYS HB3 H -1.878 5.149 -0.289 1.00 . A A . 16 CYS HB3 1 1 23 13041 1 1 16 CYS N N -0.814 7.596 0.161 1.00 . A A . 16 CYS N 1 1 23 13042 1 1 16 CYS O O 1.188 4.865 1.348 1.00 . A A . 16 CYS O 1 1 23 13043 1 1 16 CYS SG S -1.769 3.939 1.764 1.00 . A A . 16 CYS SG 1 1 23 13044 1 1 17 TYR C C 3.564 5.445 -0.025 1.00 . A A . 17 TYR C 1 1 23 13045 1 1 17 TYR CA C 2.468 5.329 -1.081 1.00 . A A . 17 TYR CA 1 1 23 13046 1 1 17 TYR CB C 2.969 5.959 -2.386 1.00 . A A . 17 TYR CB 1 1 23 13047 1 1 17 TYR CD1 C 1.588 4.313 -3.724 1.00 . A A . 17 TYR CD1 1 1 23 13048 1 1 17 TYR CD2 C 2.032 6.451 -4.674 1.00 . A A . 17 TYR CD2 1 1 23 13049 1 1 17 TYR CE1 C 0.869 3.956 -4.851 1.00 . A A . 17 TYR CE1 1 1 23 13050 1 1 17 TYR CE2 C 1.315 6.103 -5.805 1.00 . A A . 17 TYR CE2 1 1 23 13051 1 1 17 TYR CG C 2.179 5.567 -3.616 1.00 . A A . 17 TYR CG 1 1 23 13052 1 1 17 TYR CZ C 0.737 4.854 -5.888 1.00 . A A . 17 TYR CZ 1 1 23 13053 1 1 17 TYR H H 0.766 6.592 -1.229 1.00 . A A . 17 TYR H 1 1 23 13054 1 1 17 TYR HA H 2.280 4.282 -1.228 1.00 . A A . 17 TYR HA 1 1 23 13055 1 1 17 TYR HB2 H 2.927 7.034 -2.286 1.00 . A A . 17 TYR HB2 1 1 23 13056 1 1 17 TYR HB3 H 3.999 5.665 -2.558 1.00 . A A . 17 TYR HB3 1 1 23 13057 1 1 17 TYR HD1 H 1.688 3.598 -2.926 1.00 . A A . 17 TYR HD1 1 1 23 13058 1 1 17 TYR HD2 H 2.495 7.426 -4.614 1.00 . A A . 17 TYR HD2 1 1 23 13059 1 1 17 TYR HE1 H 0.422 2.991 -4.932 1.00 . A A . 17 TYR HE1 1 1 23 13060 1 1 17 TYR HE2 H 1.221 6.793 -6.620 1.00 . A A . 17 TYR HE2 1 1 23 13061 1 1 17 TYR HH H 0.622 4.158 -7.677 1.00 . A A . 17 TYR HH 1 1 23 13062 1 1 17 TYR N N 1.211 5.948 -0.633 1.00 . A A . 17 TYR N 1 1 23 13063 1 1 17 TYR O O 4.203 4.451 0.326 1.00 . A A . 17 TYR O 1 1 23 13064 1 1 17 TYR OH O 0.023 4.504 -7.012 1.00 . A A . 17 TYR OH 1 1 23 13065 1 1 18 ALA C C 4.669 6.115 2.735 1.00 . A A . 18 ALA C 1 1 23 13066 1 1 18 ALA CA C 4.840 6.915 1.433 1.00 . A A . 18 ALA CA 1 1 23 13067 1 1 18 ALA CB C 4.969 8.406 1.710 1.00 . A A . 18 ALA CB 1 1 23 13068 1 1 18 ALA H H 3.215 7.410 0.158 1.00 . A A . 18 ALA H 1 1 23 13069 1 1 18 ALA HA H 5.767 6.598 0.968 1.00 . A A . 18 ALA HA 1 1 23 13070 1 1 18 ALA HB1 H 5.162 8.584 2.760 1.00 . A A . 18 ALA HB1 1 1 23 13071 1 1 18 ALA HB2 H 4.064 8.922 1.424 1.00 . A A . 18 ALA HB2 1 1 23 13072 1 1 18 ALA HB3 H 5.792 8.800 1.132 1.00 . A A . 18 ALA HB3 1 1 23 13073 1 1 18 ALA N N 3.768 6.657 0.479 1.00 . A A . 18 ALA N 1 1 23 13074 1 1 18 ALA O O 5.563 5.351 3.096 1.00 . A A . 18 ALA O 1 1 23 13075 1 1 19 PRO C C 3.299 4.009 4.505 1.00 . A A . 19 PRO C 1 1 23 13076 1 1 19 PRO CA C 3.304 5.520 4.713 1.00 . A A . 19 PRO CA 1 1 23 13077 1 1 19 PRO CB C 1.926 5.996 5.183 1.00 . A A . 19 PRO CB 1 1 23 13078 1 1 19 PRO CD C 2.409 7.166 3.162 1.00 . A A . 19 PRO CD 1 1 23 13079 1 1 19 PRO CG C 1.699 7.287 4.479 1.00 . A A . 19 PRO CG 1 1 23 13080 1 1 19 PRO HA H 4.042 5.772 5.459 1.00 . A A . 19 PRO HA 1 1 23 13081 1 1 19 PRO HB2 H 1.160 5.274 4.923 1.00 . A A . 19 PRO HB2 1 1 23 13082 1 1 19 PRO HB3 H 1.951 6.124 6.241 1.00 . A A . 19 PRO HB3 1 1 23 13083 1 1 19 PRO HD2 H 1.761 6.756 2.437 1.00 . A A . 19 PRO HD2 1 1 23 13084 1 1 19 PRO HD3 H 2.750 8.131 2.855 1.00 . A A . 19 PRO HD3 1 1 23 13085 1 1 19 PRO HG2 H 0.641 7.440 4.323 1.00 . A A . 19 PRO HG2 1 1 23 13086 1 1 19 PRO HG3 H 2.116 8.099 5.056 1.00 . A A . 19 PRO HG3 1 1 23 13087 1 1 19 PRO N N 3.536 6.264 3.464 1.00 . A A . 19 PRO N 1 1 23 13088 1 1 19 PRO O O 3.844 3.271 5.323 1.00 . A A . 19 PRO O 1 1 23 13089 1 1 20 CYS C C 4.083 1.583 2.971 1.00 . A A . 20 CYS C 1 1 23 13090 1 1 20 CYS CA C 2.664 2.119 3.113 1.00 . A A . 20 CYS CA 1 1 23 13091 1 1 20 CYS CB C 1.855 1.833 1.840 1.00 . A A . 20 CYS CB 1 1 23 13092 1 1 20 CYS H H 2.275 4.181 2.782 1.00 . A A . 20 CYS H 1 1 23 13093 1 1 20 CYS HA H 2.189 1.615 3.945 1.00 . A A . 20 CYS HA 1 1 23 13094 1 1 20 CYS HB2 H 0.818 2.075 2.019 1.00 . A A . 20 CYS HB2 1 1 23 13095 1 1 20 CYS HB3 H 2.229 2.457 1.041 1.00 . A A . 20 CYS HB3 1 1 23 13096 1 1 20 CYS N N 2.695 3.548 3.412 1.00 . A A . 20 CYS N 1 1 23 13097 1 1 20 CYS O O 4.418 0.534 3.532 1.00 . A A . 20 CYS O 1 1 23 13098 1 1 20 CYS SG S 1.945 0.097 1.276 1.00 . A A . 20 CYS SG 1 1 23 13099 1 1 21 ARG C C 7.051 2.026 3.426 1.00 . A A . 21 ARG C 1 1 23 13100 1 1 21 ARG CA C 6.317 1.930 2.093 1.00 . A A . 21 ARG CA 1 1 23 13101 1 1 21 ARG CB C 7.013 2.804 1.049 1.00 . A A . 21 ARG CB 1 1 23 13102 1 1 21 ARG CD C 9.109 3.217 -0.296 1.00 . A A . 21 ARG CD 1 1 23 13103 1 1 21 ARG CG C 8.433 2.350 0.750 1.00 . A A . 21 ARG CG 1 1 23 13104 1 1 21 ARG CZ C 11.039 2.966 -1.818 1.00 . A A . 21 ARG CZ 1 1 23 13105 1 1 21 ARG H H 4.612 3.161 1.842 1.00 . A A . 21 ARG H 1 1 23 13106 1 1 21 ARG HA H 6.343 0.899 1.757 1.00 . A A . 21 ARG HA 1 1 23 13107 1 1 21 ARG HB2 H 6.444 2.776 0.141 1.00 . A A . 21 ARG HB2 1 1 23 13108 1 1 21 ARG HB3 H 7.049 3.824 1.408 1.00 . A A . 21 ARG HB3 1 1 23 13109 1 1 21 ARG HD2 H 8.470 3.305 -1.150 1.00 . A A . 21 ARG HD2 1 1 23 13110 1 1 21 ARG HD3 H 9.270 4.198 0.127 1.00 . A A . 21 ARG HD3 1 1 23 13111 1 1 21 ARG HE H 10.813 1.996 -0.089 1.00 . A A . 21 ARG HE 1 1 23 13112 1 1 21 ARG HG2 H 9.018 2.395 1.655 1.00 . A A . 21 ARG HG2 1 1 23 13113 1 1 21 ARG HG3 H 8.405 1.331 0.391 1.00 . A A . 21 ARG HG3 1 1 23 13114 1 1 21 ARG HH11 H 9.733 4.411 -2.406 1.00 . A A . 21 ARG HH11 1 1 23 13115 1 1 21 ARG HH12 H 11.056 4.125 -3.472 1.00 . A A . 21 ARG HH12 1 1 23 13116 1 1 21 ARG HH21 H 12.540 1.642 -1.511 1.00 . A A . 21 ARG HH21 1 1 23 13117 1 1 21 ARG HH22 H 12.654 2.565 -2.973 1.00 . A A . 21 ARG HH22 1 1 23 13118 1 1 21 ARG N N 4.925 2.319 2.250 1.00 . A A . 21 ARG N 1 1 23 13119 1 1 21 ARG NE N 10.401 2.661 -0.690 1.00 . A A . 21 ARG NE 1 1 23 13120 1 1 21 ARG NH1 N 10.567 3.909 -2.624 1.00 . A A . 21 ARG NH1 1 1 23 13121 1 1 21 ARG NH2 N 12.168 2.341 -2.125 1.00 . A A . 21 ARG NH2 1 1 23 13122 1 1 21 ARG O O 7.873 1.176 3.756 1.00 . A A . 21 ARG O 1 1 23 13123 1 1 22 LYS C C 6.995 2.145 6.477 1.00 . A A . 22 LYS C 1 1 23 13124 1 1 22 LYS CA C 7.352 3.264 5.499 1.00 . A A . 22 LYS CA 1 1 23 13125 1 1 22 LYS CB C 6.943 4.621 6.076 1.00 . A A . 22 LYS CB 1 1 23 13126 1 1 22 LYS CD C 7.503 7.076 6.223 1.00 . A A . 22 LYS CD 1 1 23 13127 1 1 22 LYS CE C 8.139 6.957 7.601 1.00 . A A . 22 LYS CE 1 1 23 13128 1 1 22 LYS CG C 7.656 5.794 5.419 1.00 . A A . 22 LYS CG 1 1 23 13129 1 1 22 LYS H H 6.057 3.705 3.886 1.00 . A A . 22 LYS H 1 1 23 13130 1 1 22 LYS HA H 8.427 3.255 5.361 1.00 . A A . 22 LYS HA 1 1 23 13131 1 1 22 LYS HB2 H 5.880 4.750 5.940 1.00 . A A . 22 LYS HB2 1 1 23 13132 1 1 22 LYS HB3 H 7.161 4.619 7.131 1.00 . A A . 22 LYS HB3 1 1 23 13133 1 1 22 LYS HD2 H 7.983 7.881 5.688 1.00 . A A . 22 LYS HD2 1 1 23 13134 1 1 22 LYS HD3 H 6.451 7.298 6.339 1.00 . A A . 22 LYS HD3 1 1 23 13135 1 1 22 LYS HE2 H 8.125 7.932 8.066 1.00 . A A . 22 LYS HE2 1 1 23 13136 1 1 22 LYS HE3 H 7.565 6.272 8.203 1.00 . A A . 22 LYS HE3 1 1 23 13137 1 1 22 LYS HG2 H 8.708 5.565 5.321 1.00 . A A . 22 LYS HG2 1 1 23 13138 1 1 22 LYS HG3 H 7.243 5.952 4.442 1.00 . A A . 22 LYS HG3 1 1 23 13139 1 1 22 LYS HZ1 H 10.072 6.994 6.782 1.00 . A A . 22 LYS HZ1 1 1 23 13140 1 1 22 LYS HZ2 H 9.580 5.467 7.329 1.00 . A A . 22 LYS HZ2 1 1 23 13141 1 1 22 LYS HZ3 H 10.023 6.659 8.439 1.00 . A A . 22 LYS HZ3 1 1 23 13142 1 1 22 LYS N N 6.733 3.057 4.196 1.00 . A A . 22 LYS N 1 1 23 13143 1 1 22 LYS NZ N 9.549 6.487 7.529 1.00 . A A . 22 LYS NZ 1 1 23 13144 1 1 22 LYS O O 7.779 1.817 7.368 1.00 . A A . 22 LYS O 1 1 23 13145 1 1 23 GLN C C 5.861 -0.874 6.688 1.00 . A A . 23 GLN C 1 1 23 13146 1 1 23 GLN CA C 5.368 0.488 7.176 1.00 . A A . 23 GLN CA 1 1 23 13147 1 1 23 GLN CB C 3.842 0.490 7.265 1.00 . A A . 23 GLN CB 1 1 23 13148 1 1 23 GLN CD C 1.769 1.787 7.891 1.00 . A A . 23 GLN CD 1 1 23 13149 1 1 23 GLN CG C 3.277 1.688 8.009 1.00 . A A . 23 GLN CG 1 1 23 13150 1 1 23 GLN H H 5.227 1.858 5.578 1.00 . A A . 23 GLN H 1 1 23 13151 1 1 23 GLN HA H 5.768 0.655 8.171 1.00 . A A . 23 GLN HA 1 1 23 13152 1 1 23 GLN HB2 H 3.441 0.487 6.261 1.00 . A A . 23 GLN HB2 1 1 23 13153 1 1 23 GLN HB3 H 3.511 -0.406 7.777 1.00 . A A . 23 GLN HB3 1 1 23 13154 1 1 23 GLN HE21 H 1.839 3.771 8.104 1.00 . A A . 23 GLN HE21 1 1 23 13155 1 1 23 GLN HE22 H 0.270 3.078 7.899 1.00 . A A . 23 GLN HE22 1 1 23 13156 1 1 23 GLN HG2 H 3.531 1.593 9.054 1.00 . A A . 23 GLN HG2 1 1 23 13157 1 1 23 GLN HG3 H 3.719 2.591 7.616 1.00 . A A . 23 GLN HG3 1 1 23 13158 1 1 23 GLN N N 5.820 1.563 6.307 1.00 . A A . 23 GLN N 1 1 23 13159 1 1 23 GLN NE2 N 1.244 2.998 7.973 1.00 . A A . 23 GLN NE2 1 1 23 13160 1 1 23 GLN O O 6.557 -1.582 7.410 1.00 . A A . 23 GLN O 1 1 23 13161 1 1 23 GLN OE1 O 1.081 0.781 7.731 1.00 . A A . 23 GLN OE1 1 1 23 13162 1 1 24 THR C C 7.099 -2.610 4.151 1.00 . A A . 24 THR C 1 1 23 13163 1 1 24 THR CA C 5.799 -2.567 4.949 1.00 . A A . 24 THR CA 1 1 23 13164 1 1 24 THR CB C 4.652 -3.084 4.056 1.00 . A A . 24 THR CB 1 1 23 13165 1 1 24 THR CG2 C 3.361 -3.216 4.853 1.00 . A A . 24 THR CG2 1 1 23 13166 1 1 24 THR H H 4.962 -0.618 4.912 1.00 . A A . 24 THR H 1 1 23 13167 1 1 24 THR HA H 5.902 -3.246 5.789 1.00 . A A . 24 THR HA 1 1 23 13168 1 1 24 THR HB H 4.906 -4.064 3.668 1.00 . A A . 24 THR HB 1 1 23 13169 1 1 24 THR HG1 H 3.729 -2.512 2.396 1.00 . A A . 24 THR HG1 1 1 23 13170 1 1 24 THR HG21 H 3.080 -2.251 5.251 1.00 . A A . 24 THR HG21 1 1 23 13171 1 1 24 THR HG22 H 3.506 -3.913 5.666 1.00 . A A . 24 THR HG22 1 1 23 13172 1 1 24 THR HG23 H 2.576 -3.579 4.206 1.00 . A A . 24 THR HG23 1 1 23 13173 1 1 24 THR N N 5.510 -1.230 5.458 1.00 . A A . 24 THR N 1 1 23 13174 1 1 24 THR O O 7.805 -3.619 4.147 1.00 . A A . 24 THR O 1 1 23 13175 1 1 24 THR OG1 O 4.448 -2.191 2.947 1.00 . A A . 24 THR OG1 1 1 23 13176 1 1 25 GLY C C 8.031 -1.514 1.136 1.00 . A A . 25 GLY C 1 1 23 13177 1 1 25 GLY CA C 8.531 -1.501 2.564 1.00 . A A . 25 GLY CA 1 1 23 13178 1 1 25 GLY H H 6.846 -0.718 3.542 1.00 . A A . 25 GLY H 1 1 23 13179 1 1 25 GLY HA2 H 9.114 -0.606 2.718 1.00 . A A . 25 GLY HA2 1 1 23 13180 1 1 25 GLY HA3 H 9.174 -2.359 2.715 1.00 . A A . 25 GLY HA3 1 1 23 13181 1 1 25 GLY N N 7.426 -1.508 3.500 1.00 . A A . 25 GLY N 1 1 23 13182 1 1 25 GLY O O 8.802 -1.334 0.194 1.00 . A A . 25 GLY O 1 1 23 13183 1 1 26 CYS C C 5.614 -0.372 -0.726 1.00 . A A . 26 CYS C 1 1 23 13184 1 1 26 CYS CA C 6.095 -1.763 -0.322 1.00 . A A . 26 CYS CA 1 1 23 13185 1 1 26 CYS CB C 4.921 -2.744 -0.287 1.00 . A A . 26 CYS CB 1 1 23 13186 1 1 26 CYS H H 6.156 -1.838 1.769 1.00 . A A . 26 CYS H 1 1 23 13187 1 1 26 CYS HA H 6.818 -2.130 -1.026 1.00 . A A . 26 CYS HA 1 1 23 13188 1 1 26 CYS HB2 H 5.286 -3.721 -0.023 1.00 . A A . 26 CYS HB2 1 1 23 13189 1 1 26 CYS HB3 H 4.225 -2.419 0.466 1.00 . A A . 26 CYS HB3 1 1 23 13190 1 1 26 CYS N N 6.730 -1.715 0.985 1.00 . A A . 26 CYS N 1 1 23 13191 1 1 26 CYS O O 4.764 0.213 -0.065 1.00 . A A . 26 CYS O 1 1 23 13192 1 1 26 CYS SG S 3.991 -2.893 -1.850 1.00 . A A . 26 CYS SG 1 1 23 13193 1 1 27 PRO C C 4.596 1.544 -3.188 1.00 . A A . 27 PRO C 1 1 23 13194 1 1 27 PRO CA C 5.823 1.524 -2.280 1.00 . A A . 27 PRO CA 1 1 23 13195 1 1 27 PRO CB C 7.070 1.935 -3.059 1.00 . A A . 27 PRO CB 1 1 23 13196 1 1 27 PRO CD C 7.203 -0.440 -2.662 1.00 . A A . 27 PRO CD 1 1 23 13197 1 1 27 PRO CG C 7.603 0.658 -3.619 1.00 . A A . 27 PRO CG 1 1 23 13198 1 1 27 PRO HA H 5.665 2.211 -1.470 1.00 . A A . 27 PRO HA 1 1 23 13199 1 1 27 PRO HB2 H 6.819 2.638 -3.844 1.00 . A A . 27 PRO HB2 1 1 23 13200 1 1 27 PRO HB3 H 7.771 2.379 -2.402 1.00 . A A . 27 PRO HB3 1 1 23 13201 1 1 27 PRO HD2 H 6.812 -1.257 -3.211 1.00 . A A . 27 PRO HD2 1 1 23 13202 1 1 27 PRO HD3 H 8.055 -0.749 -2.077 1.00 . A A . 27 PRO HD3 1 1 23 13203 1 1 27 PRO HG2 H 7.171 0.478 -4.592 1.00 . A A . 27 PRO HG2 1 1 23 13204 1 1 27 PRO HG3 H 8.679 0.714 -3.693 1.00 . A A . 27 PRO HG3 1 1 23 13205 1 1 27 PRO N N 6.172 0.185 -1.810 1.00 . A A . 27 PRO N 1 1 23 13206 1 1 27 PRO O O 4.321 2.550 -3.842 1.00 . A A . 27 PRO O 1 1 23 13207 1 1 28 ASN C C 1.438 0.084 -3.241 1.00 . A A . 28 ASN C 1 1 23 13208 1 1 28 ASN CA C 2.676 0.368 -4.078 1.00 . A A . 28 ASN CA 1 1 23 13209 1 1 28 ASN CB C 2.837 -0.705 -5.159 1.00 . A A . 28 ASN CB 1 1 23 13210 1 1 28 ASN CG C 1.892 -0.497 -6.330 1.00 . A A . 28 ASN CG 1 1 23 13211 1 1 28 ASN H H 4.092 -0.329 -2.714 1.00 . A A . 28 ASN H 1 1 23 13212 1 1 28 ASN HA H 2.544 1.328 -4.571 1.00 . A A . 28 ASN HA 1 1 23 13213 1 1 28 ASN HB2 H 3.853 -0.673 -5.532 1.00 . A A . 28 ASN HB2 1 1 23 13214 1 1 28 ASN HB3 H 2.651 -1.685 -4.737 1.00 . A A . 28 ASN HB3 1 1 23 13215 1 1 28 ASN HD21 H 3.239 -1.265 -7.588 1.00 . A A . 28 ASN HD21 1 1 23 13216 1 1 28 ASN HD22 H 1.745 -0.750 -8.286 1.00 . A A . 28 ASN HD22 1 1 23 13217 1 1 28 ASN N N 3.858 0.442 -3.231 1.00 . A A . 28 ASN N 1 1 23 13218 1 1 28 ASN ND2 N 2.338 -0.875 -7.516 1.00 . A A . 28 ASN ND2 1 1 23 13219 1 1 28 ASN O O 1.342 -0.958 -2.584 1.00 . A A . 28 ASN O 1 1 23 13220 1 1 28 ASN OD1 O 0.781 0.013 -6.174 1.00 . A A . 28 ASN OD1 1 1 23 13221 1 1 29 ALA C C -1.899 1.518 -3.273 1.00 . A A . 29 ALA C 1 1 23 13222 1 1 29 ALA CA C -0.729 0.906 -2.506 1.00 . A A . 29 ALA CA 1 1 23 13223 1 1 29 ALA CB C -0.562 1.589 -1.158 1.00 . A A . 29 ALA CB 1 1 23 13224 1 1 29 ALA H H 0.638 1.795 -3.802 1.00 . A A . 29 ALA H 1 1 23 13225 1 1 29 ALA HA H -0.936 -0.140 -2.333 1.00 . A A . 29 ALA HA 1 1 23 13226 1 1 29 ALA HB1 H -1.114 1.034 -0.419 1.00 . A A . 29 ALA HB1 1 1 23 13227 1 1 29 ALA HB2 H -0.922 2.609 -1.198 1.00 . A A . 29 ALA HB2 1 1 23 13228 1 1 29 ALA HB3 H 0.483 1.595 -0.879 1.00 . A A . 29 ALA HB3 1 1 23 13229 1 1 29 ALA N N 0.499 1.016 -3.275 1.00 . A A . 29 ALA N 1 1 23 13230 1 1 29 ALA O O -1.705 2.363 -4.149 1.00 . A A . 29 ALA O 1 1 23 13231 1 1 30 LYS C C -5.478 1.507 -2.600 1.00 . A A . 30 LYS C 1 1 23 13232 1 1 30 LYS CA C -4.316 1.603 -3.578 1.00 . A A . 30 LYS CA 1 1 23 13233 1 1 30 LYS CB C -4.649 0.820 -4.852 1.00 . A A . 30 LYS CB 1 1 23 13234 1 1 30 LYS CD C -6.233 0.498 -6.779 1.00 . A A . 30 LYS CD 1 1 23 13235 1 1 30 LYS CE C -7.401 1.093 -7.550 1.00 . A A . 30 LYS CE 1 1 23 13236 1 1 30 LYS CG C -5.860 1.364 -5.592 1.00 . A A . 30 LYS CG 1 1 23 13237 1 1 30 LYS H H -3.197 0.388 -2.251 1.00 . A A . 30 LYS H 1 1 23 13238 1 1 30 LYS HA H -4.155 2.646 -3.833 1.00 . A A . 30 LYS HA 1 1 23 13239 1 1 30 LYS HB2 H -3.798 0.864 -5.517 1.00 . A A . 30 LYS HB2 1 1 23 13240 1 1 30 LYS HB3 H -4.838 -0.214 -4.591 1.00 . A A . 30 LYS HB3 1 1 23 13241 1 1 30 LYS HD2 H -5.383 0.418 -7.443 1.00 . A A . 30 LYS HD2 1 1 23 13242 1 1 30 LYS HD3 H -6.511 -0.484 -6.425 1.00 . A A . 30 LYS HD3 1 1 23 13243 1 1 30 LYS HE2 H -7.118 2.069 -7.919 1.00 . A A . 30 LYS HE2 1 1 23 13244 1 1 30 LYS HE3 H -7.627 0.447 -8.386 1.00 . A A . 30 LYS HE3 1 1 23 13245 1 1 30 LYS HG2 H -6.703 1.401 -4.919 1.00 . A A . 30 LYS HG2 1 1 23 13246 1 1 30 LYS HG3 H -5.631 2.362 -5.940 1.00 . A A . 30 LYS HG3 1 1 23 13247 1 1 30 LYS HZ1 H -8.816 0.341 -6.192 1.00 . A A . 30 LYS HZ1 1 1 23 13248 1 1 30 LYS HZ2 H -9.441 1.455 -7.297 1.00 . A A . 30 LYS HZ2 1 1 23 13249 1 1 30 LYS HZ3 H -8.495 1.995 -6.009 1.00 . A A . 30 LYS HZ3 1 1 23 13250 1 1 30 LYS N N -3.108 1.079 -2.952 1.00 . A A . 30 LYS N 1 1 23 13251 1 1 30 LYS NZ N -8.620 1.229 -6.701 1.00 . A A . 30 LYS NZ 1 1 23 13252 1 1 30 LYS O O -5.612 0.514 -1.895 1.00 . A A . 30 LYS O 1 1 23 13253 1 1 31 CYS C C -8.645 1.832 -2.160 1.00 . A A . 31 CYS C 1 1 23 13254 1 1 31 CYS CA C -7.410 2.523 -1.588 1.00 . A A . 31 CYS CA 1 1 23 13255 1 1 31 CYS CB C -7.747 3.950 -1.144 1.00 . A A . 31 CYS CB 1 1 23 13256 1 1 31 CYS H H -6.187 3.303 -3.136 1.00 . A A . 31 CYS H 1 1 23 13257 1 1 31 CYS HA H -7.092 1.978 -0.715 1.00 . A A . 31 CYS HA 1 1 23 13258 1 1 31 CYS HB2 H -8.087 3.920 -0.121 1.00 . A A . 31 CYS HB2 1 1 23 13259 1 1 31 CYS HB3 H -6.852 4.557 -1.191 1.00 . A A . 31 CYS HB3 1 1 23 13260 1 1 31 CYS N N -6.321 2.521 -2.549 1.00 . A A . 31 CYS N 1 1 23 13261 1 1 31 CYS O O -9.037 2.069 -3.305 1.00 . A A . 31 CYS O 1 1 23 13262 1 1 31 CYS SG S -9.026 4.782 -2.145 1.00 . A A . 31 CYS SG 1 1 23 13263 1 1 32 ILE C C -11.370 0.211 -0.486 1.00 . A A . 32 ILE C 1 1 23 13264 1 1 32 ILE CA C -10.462 0.265 -1.705 1.00 . A A . 32 ILE CA 1 1 23 13265 1 1 32 ILE CB C -10.207 -1.175 -2.193 1.00 . A A . 32 ILE CB 1 1 23 13266 1 1 32 ILE CD1 C -9.335 -3.427 -1.397 1.00 . A A . 32 ILE CD1 1 1 23 13267 1 1 32 ILE CG1 C -9.364 -1.938 -1.168 1.00 . A A . 32 ILE CG1 1 1 23 13268 1 1 32 ILE CG2 C -9.532 -1.171 -3.558 1.00 . A A . 32 ILE CG2 1 1 23 13269 1 1 32 ILE H H -8.837 0.785 -0.470 1.00 . A A . 32 ILE H 1 1 23 13270 1 1 32 ILE HA H -10.969 0.816 -2.494 1.00 . A A . 32 ILE HA 1 1 23 13271 1 1 32 ILE HB H -11.164 -1.671 -2.307 1.00 . A A . 32 ILE HB 1 1 23 13272 1 1 32 ILE HD11 H -9.001 -3.640 -2.400 1.00 . A A . 32 ILE HD11 1 1 23 13273 1 1 32 ILE HD12 H -10.327 -3.830 -1.257 1.00 . A A . 32 ILE HD12 1 1 23 13274 1 1 32 ILE HD13 H -8.660 -3.885 -0.689 1.00 . A A . 32 ILE HD13 1 1 23 13275 1 1 32 ILE HG12 H -8.345 -1.583 -1.201 1.00 . A A . 32 ILE HG12 1 1 23 13276 1 1 32 ILE HG13 H -9.748 -1.789 -0.175 1.00 . A A . 32 ILE HG13 1 1 23 13277 1 1 32 ILE HG21 H -10.140 -0.619 -4.261 1.00 . A A . 32 ILE HG21 1 1 23 13278 1 1 32 ILE HG22 H -9.416 -2.185 -3.910 1.00 . A A . 32 ILE HG22 1 1 23 13279 1 1 32 ILE HG23 H -8.560 -0.703 -3.482 1.00 . A A . 32 ILE HG23 1 1 23 13280 1 1 32 ILE N N -9.224 0.949 -1.360 1.00 . A A . 32 ILE N 1 1 23 13281 1 1 32 ILE O O -10.894 -0.025 0.621 1.00 . A A . 32 ILE O 1 1 23 13282 1 1 33 ASN C C -13.175 1.289 1.588 1.00 . A A . 33 ASN C 1 1 23 13283 1 1 33 ASN CA C -13.651 0.445 0.404 1.00 . A A . 33 ASN CA 1 1 23 13284 1 1 33 ASN CB C -13.952 -0.983 0.875 1.00 . A A . 33 ASN CB 1 1 23 13285 1 1 33 ASN CG C -14.688 -1.800 -0.168 1.00 . A A . 33 ASN CG 1 1 23 13286 1 1 33 ASN H H -12.985 0.618 -1.602 1.00 . A A . 33 ASN H 1 1 23 13287 1 1 33 ASN HA H -14.559 0.887 0.018 1.00 . A A . 33 ASN HA 1 1 23 13288 1 1 33 ASN HB2 H -13.021 -1.482 1.097 1.00 . A A . 33 ASN HB2 1 1 23 13289 1 1 33 ASN HB3 H -14.560 -0.953 1.772 1.00 . A A . 33 ASN HB3 1 1 23 13290 1 1 33 ASN HD21 H -16.449 -1.259 0.602 1.00 . A A . 33 ASN HD21 1 1 23 13291 1 1 33 ASN HD22 H -16.503 -2.308 -0.769 1.00 . A A . 33 ASN HD22 1 1 23 13292 1 1 33 ASN N N -12.665 0.432 -0.690 1.00 . A A . 33 ASN N 1 1 23 13293 1 1 33 ASN ND2 N -16.009 -1.786 -0.103 1.00 . A A . 33 ASN ND2 1 1 23 13294 1 1 33 ASN O O -13.371 0.912 2.748 1.00 . A A . 33 ASN O 1 1 23 13295 1 1 33 ASN OD1 O -14.074 -2.446 -1.016 1.00 . A A . 33 ASN OD1 1 1 23 13296 1 1 34 LYS C C -10.925 2.551 3.136 1.00 . A A . 34 LYS C 1 1 23 13297 1 1 34 LYS CA C -11.948 3.301 2.287 1.00 . A A . 34 LYS CA 1 1 23 13298 1 1 34 LYS CB C -12.995 3.956 3.187 1.00 . A A . 34 LYS CB 1 1 23 13299 1 1 34 LYS CD C -14.689 5.795 3.484 1.00 . A A . 34 LYS CD 1 1 23 13300 1 1 34 LYS CE C -13.910 6.509 4.584 1.00 . A A . 34 LYS CE 1 1 23 13301 1 1 34 LYS CG C -13.774 5.071 2.507 1.00 . A A . 34 LYS CG 1 1 23 13302 1 1 34 LYS H H -12.456 2.688 0.337 1.00 . A A . 34 LYS H 1 1 23 13303 1 1 34 LYS HA H -11.419 4.076 1.757 1.00 . A A . 34 LYS HA 1 1 23 13304 1 1 34 LYS HB2 H -13.701 3.204 3.504 1.00 . A A . 34 LYS HB2 1 1 23 13305 1 1 34 LYS HB3 H -12.510 4.354 4.052 1.00 . A A . 34 LYS HB3 1 1 23 13306 1 1 34 LYS HD2 H -15.265 6.528 2.939 1.00 . A A . 34 LYS HD2 1 1 23 13307 1 1 34 LYS HD3 H -15.360 5.078 3.938 1.00 . A A . 34 LYS HD3 1 1 23 13308 1 1 34 LYS HE2 H -14.620 6.993 5.238 1.00 . A A . 34 LYS HE2 1 1 23 13309 1 1 34 LYS HE3 H -13.345 5.793 5.154 1.00 . A A . 34 LYS HE3 1 1 23 13310 1 1 34 LYS HG2 H -13.081 5.780 2.078 1.00 . A A . 34 LYS HG2 1 1 23 13311 1 1 34 LYS HG3 H -14.377 4.640 1.721 1.00 . A A . 34 LYS HG3 1 1 23 13312 1 1 34 LYS HZ1 H -13.500 8.185 3.393 1.00 . A A . 34 LYS HZ1 1 1 23 13313 1 1 34 LYS HZ2 H -12.206 7.101 3.527 1.00 . A A . 34 LYS HZ2 1 1 23 13314 1 1 34 LYS HZ3 H -12.597 8.110 4.821 1.00 . A A . 34 LYS HZ3 1 1 23 13315 1 1 34 LYS N N -12.566 2.436 1.281 1.00 . A A . 34 LYS N 1 1 23 13316 1 1 34 LYS NZ N -12.991 7.546 4.041 1.00 . A A . 34 LYS NZ 1 1 23 13317 1 1 34 LYS O O -10.931 2.641 4.361 1.00 . A A . 34 LYS O 1 1 23 13318 1 1 35 SER C C -7.784 1.023 2.128 1.00 . A A . 35 SER C 1 1 23 13319 1 1 35 SER CA C -8.914 1.196 3.133 1.00 . A A . 35 SER CA 1 1 23 13320 1 1 35 SER CB C -9.296 -0.146 3.773 1.00 . A A . 35 SER CB 1 1 23 13321 1 1 35 SER H H -10.114 1.763 1.491 1.00 . A A . 35 SER H 1 1 23 13322 1 1 35 SER HA H -8.581 1.869 3.919 1.00 . A A . 35 SER HA 1 1 23 13323 1 1 35 SER HB2 H -8.410 -0.635 4.155 1.00 . A A . 35 SER HB2 1 1 23 13324 1 1 35 SER HB3 H -9.981 0.035 4.589 1.00 . A A . 35 SER HB3 1 1 23 13325 1 1 35 SER HG H -10.023 -1.879 3.225 1.00 . A A . 35 SER HG 1 1 23 13326 1 1 35 SER N N -10.058 1.805 2.476 1.00 . A A . 35 SER N 1 1 23 13327 1 1 35 SER O O -7.979 0.460 1.052 1.00 . A A . 35 SER O 1 1 23 13328 1 1 35 SER OG O -9.923 -1.005 2.840 1.00 . A A . 35 SER OG 1 1 23 13329 1 1 36 CYS C C -4.862 0.097 1.591 1.00 . A A . 36 CYS C 1 1 23 13330 1 1 36 CYS CA C -5.480 1.490 1.570 1.00 . A A . 36 CYS CA 1 1 23 13331 1 1 36 CYS CB C -4.443 2.539 1.975 1.00 . A A . 36 CYS CB 1 1 23 13332 1 1 36 CYS H H -6.531 2.021 3.324 1.00 . A A . 36 CYS H 1 1 23 13333 1 1 36 CYS HA H -5.814 1.716 0.572 1.00 . A A . 36 CYS HA 1 1 23 13334 1 1 36 CYS HB2 H -4.924 3.504 2.027 1.00 . A A . 36 CYS HB2 1 1 23 13335 1 1 36 CYS HB3 H -4.041 2.292 2.948 1.00 . A A . 36 CYS HB3 1 1 23 13336 1 1 36 CYS N N -6.622 1.551 2.460 1.00 . A A . 36 CYS N 1 1 23 13337 1 1 36 CYS O O -4.329 -0.344 2.609 1.00 . A A . 36 CYS O 1 1 23 13338 1 1 36 CYS SG S -3.050 2.684 0.818 1.00 . A A . 36 CYS SG 1 1 23 13339 1 1 37 LYS C C -2.947 -1.788 -0.171 1.00 . A A . 37 LYS C 1 1 23 13340 1 1 37 LYS CA C -4.376 -1.920 0.340 1.00 . A A . 37 LYS CA 1 1 23 13341 1 1 37 LYS CB C -5.214 -2.798 -0.609 1.00 . A A . 37 LYS CB 1 1 23 13342 1 1 37 LYS CD C -6.106 -3.123 -2.961 1.00 . A A . 37 LYS CD 1 1 23 13343 1 1 37 LYS CE C -6.116 -4.642 -2.832 1.00 . A A . 37 LYS CE 1 1 23 13344 1 1 37 LYS CG C -5.038 -2.472 -2.091 1.00 . A A . 37 LYS CG 1 1 23 13345 1 1 37 LYS H H -5.415 -0.204 -0.309 1.00 . A A . 37 LYS H 1 1 23 13346 1 1 37 LYS HA H -4.363 -2.393 1.318 1.00 . A A . 37 LYS HA 1 1 23 13347 1 1 37 LYS HB2 H -4.931 -3.829 -0.457 1.00 . A A . 37 LYS HB2 1 1 23 13348 1 1 37 LYS HB3 H -6.259 -2.681 -0.350 1.00 . A A . 37 LYS HB3 1 1 23 13349 1 1 37 LYS HD2 H -7.066 -2.739 -2.673 1.00 . A A . 37 LYS HD2 1 1 23 13350 1 1 37 LYS HD3 H -5.914 -2.864 -3.992 1.00 . A A . 37 LYS HD3 1 1 23 13351 1 1 37 LYS HE2 H -6.246 -4.920 -1.799 1.00 . A A . 37 LYS HE2 1 1 23 13352 1 1 37 LYS HE3 H -6.953 -5.020 -3.401 1.00 . A A . 37 LYS HE3 1 1 23 13353 1 1 37 LYS HG2 H -5.082 -1.417 -2.232 1.00 . A A . 37 LYS HG2 1 1 23 13354 1 1 37 LYS HG3 H -4.071 -2.831 -2.412 1.00 . A A . 37 LYS HG3 1 1 23 13355 1 1 37 LYS HZ1 H -4.054 -4.974 -2.784 1.00 . A A . 37 LYS HZ1 1 1 23 13356 1 1 37 LYS HZ2 H -4.713 -5.000 -4.343 1.00 . A A . 37 LYS HZ2 1 1 23 13357 1 1 37 LYS HZ3 H -4.954 -6.309 -3.300 1.00 . A A . 37 LYS HZ3 1 1 23 13358 1 1 37 LYS N N -4.962 -0.600 0.470 1.00 . A A . 37 LYS N 1 1 23 13359 1 1 37 LYS NZ N -4.873 -5.273 -3.351 1.00 . A A . 37 LYS NZ 1 1 23 13360 1 1 37 LYS O O -2.670 -1.006 -1.083 1.00 . A A . 37 LYS O 1 1 23 13361 1 1 38 CYS C C -0.384 -3.816 -0.764 1.00 . A A . 38 CYS C 1 1 23 13362 1 1 38 CYS CA C -0.659 -2.539 0.012 1.00 . A A . 38 CYS CA 1 1 23 13363 1 1 38 CYS CB C 0.271 -2.430 1.227 1.00 . A A . 38 CYS CB 1 1 23 13364 1 1 38 CYS H H -2.320 -3.134 1.166 1.00 . A A . 38 CYS H 1 1 23 13365 1 1 38 CYS HA H -0.476 -1.692 -0.643 1.00 . A A . 38 CYS HA 1 1 23 13366 1 1 38 CYS HB2 H -0.043 -3.149 1.969 1.00 . A A . 38 CYS HB2 1 1 23 13367 1 1 38 CYS HB3 H 1.286 -2.658 0.928 1.00 . A A . 38 CYS HB3 1 1 23 13368 1 1 38 CYS N N -2.047 -2.534 0.432 1.00 . A A . 38 CYS N 1 1 23 13369 1 1 38 CYS O O -0.942 -4.864 -0.452 1.00 . A A . 38 CYS O 1 1 23 13370 1 1 38 CYS SG S 0.275 -0.790 2.027 1.00 . A A . 38 CYS SG 1 1 23 13371 1 1 39 TYR C C 1.570 -5.934 -2.041 1.00 . A A . 39 TYR C 1 1 23 13372 1 1 39 TYR CA C 0.689 -4.864 -2.667 1.00 . A A . 39 TYR CA 1 1 23 13373 1 1 39 TYR CB C 1.310 -4.390 -3.982 1.00 . A A . 39 TYR CB 1 1 23 13374 1 1 39 TYR CD1 C -0.660 -2.866 -4.438 1.00 . A A . 39 TYR CD1 1 1 23 13375 1 1 39 TYR CD2 C 0.417 -3.912 -6.287 1.00 . A A . 39 TYR CD2 1 1 23 13376 1 1 39 TYR CE1 C -1.543 -2.244 -5.296 1.00 . A A . 39 TYR CE1 1 1 23 13377 1 1 39 TYR CE2 C -0.460 -3.291 -7.152 1.00 . A A . 39 TYR CE2 1 1 23 13378 1 1 39 TYR CG C 0.336 -3.710 -4.917 1.00 . A A . 39 TYR CG 1 1 23 13379 1 1 39 TYR CZ C -1.439 -2.461 -6.652 1.00 . A A . 39 TYR CZ 1 1 23 13380 1 1 39 TYR H H 0.914 -2.872 -1.961 1.00 . A A . 39 TYR H 1 1 23 13381 1 1 39 TYR HA H -0.277 -5.310 -2.882 1.00 . A A . 39 TYR HA 1 1 23 13382 1 1 39 TYR HB2 H 2.091 -3.686 -3.772 1.00 . A A . 39 TYR HB2 1 1 23 13383 1 1 39 TYR HB3 H 1.736 -5.241 -4.506 1.00 . A A . 39 TYR HB3 1 1 23 13384 1 1 39 TYR HD1 H -0.751 -2.683 -3.386 1.00 . A A . 39 TYR HD1 1 1 23 13385 1 1 39 TYR HD2 H 1.184 -4.564 -6.682 1.00 . A A . 39 TYR HD2 1 1 23 13386 1 1 39 TYR HE1 H -2.309 -1.592 -4.904 1.00 . A A . 39 TYR HE1 1 1 23 13387 1 1 39 TYR HE2 H -0.379 -3.461 -8.216 1.00 . A A . 39 TYR HE2 1 1 23 13388 1 1 39 TYR HH H -1.941 -1.013 -7.813 1.00 . A A . 39 TYR HH 1 1 23 13389 1 1 39 TYR N N 0.481 -3.737 -1.762 1.00 . A A . 39 TYR N 1 1 23 13390 1 1 39 TYR O O 1.851 -6.963 -2.657 1.00 . A A . 39 TYR O 1 1 23 13391 1 1 39 TYR OH O -2.317 -1.844 -7.513 1.00 . A A . 39 TYR OH 1 1 23 13392 1 1 40 GLY C C 4.112 -6.908 -0.818 1.00 . A A . 40 GLY C 1 1 23 13393 1 1 40 GLY CA C 2.820 -6.620 -0.083 1.00 . A A . 40 GLY CA 1 1 23 13394 1 1 40 GLY H H 1.751 -4.858 -0.350 1.00 . A A . 40 GLY H 1 1 23 13395 1 1 40 GLY HA2 H 3.053 -6.206 0.887 1.00 . A A . 40 GLY HA2 1 1 23 13396 1 1 40 GLY HA3 H 2.278 -7.546 0.052 1.00 . A A . 40 GLY HA3 1 1 23 13397 1 1 40 GLY N N 1.989 -5.681 -0.805 1.00 . A A . 40 GLY N 1 1 23 13398 1 1 40 GLY O O 4.553 -8.051 -0.868 1.00 . A A . 40 GLY O 1 1 23 13399 1 1 41 CYS C C 6.950 -6.861 -1.573 1.00 . A A . 41 CYS C 1 1 23 13400 1 1 41 CYS CA C 5.906 -5.946 -2.207 1.00 . A A . 41 CYS CA 1 1 23 13401 1 1 41 CYS CB C 6.503 -4.553 -2.410 1.00 . A A . 41 CYS CB 1 1 23 13402 1 1 41 CYS H H 4.249 -5.027 -1.318 1.00 . A A . 41 CYS H 1 1 23 13403 1 1 41 CYS HA H 5.633 -6.348 -3.171 1.00 . A A . 41 CYS HA 1 1 23 13404 1 1 41 CYS HB2 H 6.792 -4.149 -1.463 1.00 . A A . 41 CYS HB2 1 1 23 13405 1 1 41 CYS HB3 H 7.388 -4.643 -3.028 1.00 . A A . 41 CYS HB3 1 1 23 13406 1 1 41 CYS N N 4.686 -5.857 -1.403 1.00 . A A . 41 CYS N 1 1 23 13407 1 1 41 CYS O O 7.176 -7.965 -2.116 1.00 . A A . 41 CYS O 1 1 23 13408 1 1 41 CYS OXT O 7.526 -6.479 -0.534 1.00 . A A . 41 CYS OXT 1 1 23 13409 1 1 41 CYS SG S 5.391 -3.367 -3.243 1.00 . A A . 41 CYS SG 1 1 24 13410 1 1 1 TRP C C 4.657 4.716 9.570 1.00 . A A . 1 TRP C 1 1 24 13411 1 1 1 TRP CA C 4.985 3.835 10.776 1.00 . A A . 1 TRP CA 1 1 24 13412 1 1 1 TRP CB C 5.067 2.369 10.332 1.00 . A A . 1 TRP CB 1 1 24 13413 1 1 1 TRP CD1 C 3.649 0.662 11.605 1.00 . A A . 1 TRP CD1 1 1 24 13414 1 1 1 TRP CD2 C 5.666 1.021 12.510 1.00 . A A . 1 TRP CD2 1 1 24 13415 1 1 1 TRP CE2 C 4.980 0.074 13.297 1.00 . A A . 1 TRP CE2 1 1 24 13416 1 1 1 TRP CE3 C 6.958 1.400 12.888 1.00 . A A . 1 TRP CE3 1 1 24 13417 1 1 1 TRP CG C 4.795 1.384 11.431 1.00 . A A . 1 TRP CG 1 1 24 13418 1 1 1 TRP CH2 C 6.805 -0.104 14.783 1.00 . A A . 1 TRP CH2 1 1 24 13419 1 1 1 TRP CZ2 C 5.540 -0.494 14.437 1.00 . A A . 1 TRP CZ2 1 1 24 13420 1 1 1 TRP CZ3 C 7.512 0.834 14.020 1.00 . A A . 1 TRP CZ3 1 1 24 13421 1 1 1 TRP H1 H 3.816 5.028 11.995 1.00 . A A . 1 TRP H1 1 1 24 13422 1 1 1 TRP H2 H 4.303 3.555 12.691 1.00 . A A . 1 TRP H2 1 1 24 13423 1 1 1 TRP H3 H 3.064 3.560 11.504 1.00 . A A . 1 TRP H3 1 1 24 13424 1 1 1 TRP HA H 5.938 4.140 11.184 1.00 . A A . 1 TRP HA 1 1 24 13425 1 1 1 TRP HB2 H 4.356 2.204 9.576 1.00 . A A . 1 TRP HB2 1 1 24 13426 1 1 1 TRP HB3 H 6.054 2.170 9.944 1.00 . A A . 1 TRP HB3 1 1 24 13427 1 1 1 TRP HD1 H 2.792 0.716 10.950 1.00 . A A . 1 TRP HD1 1 1 24 13428 1 1 1 TRP HE1 H 3.057 -0.733 13.056 1.00 . A A . 1 TRP HE1 1 1 24 13429 1 1 1 TRP HE3 H 7.520 2.121 12.313 1.00 . A A . 1 TRP HE3 1 1 24 13430 1 1 1 TRP HH2 H 7.279 -0.519 15.660 1.00 . A A . 1 TRP HH2 1 1 24 13431 1 1 1 TRP HZ2 H 5.008 -1.219 15.035 1.00 . A A . 1 TRP HZ2 1 1 24 13432 1 1 1 TRP HZ3 H 8.508 1.115 14.328 1.00 . A A . 1 TRP HZ3 1 1 24 13433 1 1 1 TRP N N 3.951 4.008 11.821 1.00 . A A . 1 TRP N 1 1 24 13434 1 1 1 TRP NE1 N 3.750 -0.125 12.723 1.00 . A A . 1 TRP NE1 1 1 24 13435 1 1 1 TRP O O 5.490 4.919 8.688 1.00 . A A . 1 TRP O 1 1 24 13436 1 1 2 CYS C C 3.647 7.496 8.563 1.00 . A A . 2 CYS C 1 1 24 13437 1 1 2 CYS CA C 3.002 6.114 8.455 1.00 . A A . 2 CYS CA 1 1 24 13438 1 1 2 CYS CB C 1.475 6.227 8.457 1.00 . A A . 2 CYS CB 1 1 24 13439 1 1 2 CYS H H 2.813 5.021 10.237 1.00 . A A . 2 CYS H 1 1 24 13440 1 1 2 CYS HA H 3.307 5.671 7.516 1.00 . A A . 2 CYS HA 1 1 24 13441 1 1 2 CYS HB2 H 1.144 7.132 7.977 1.00 . A A . 2 CYS HB2 1 1 24 13442 1 1 2 CYS HB3 H 1.075 5.386 7.910 1.00 . A A . 2 CYS HB3 1 1 24 13443 1 1 2 CYS N N 3.431 5.228 9.529 1.00 . A A . 2 CYS N 1 1 24 13444 1 1 2 CYS O O 4.552 7.705 9.373 1.00 . A A . 2 CYS O 1 1 24 13445 1 1 2 CYS SG S 0.718 6.185 10.120 1.00 . A A . 2 CYS SG 1 1 24 13446 1 1 3 SER C C 3.017 10.692 8.712 1.00 . A A . 3 SER C 1 1 24 13447 1 1 3 SER CA C 3.758 9.773 7.735 1.00 . A A . 3 SER CA 1 1 24 13448 1 1 3 SER CB C 3.719 10.341 6.315 1.00 . A A . 3 SER CB 1 1 24 13449 1 1 3 SER H H 2.487 8.221 7.092 1.00 . A A . 3 SER H 1 1 24 13450 1 1 3 SER HA H 4.796 9.717 8.045 1.00 . A A . 3 SER HA 1 1 24 13451 1 1 3 SER HB2 H 3.927 11.403 6.333 1.00 . A A . 3 SER HB2 1 1 24 13452 1 1 3 SER HB3 H 4.467 9.843 5.716 1.00 . A A . 3 SER HB3 1 1 24 13453 1 1 3 SER HG H 2.377 10.662 4.918 1.00 . A A . 3 SER HG 1 1 24 13454 1 1 3 SER N N 3.197 8.432 7.739 1.00 . A A . 3 SER N 1 1 24 13455 1 1 3 SER O O 3.506 10.980 9.808 1.00 . A A . 3 SER O 1 1 24 13456 1 1 3 SER OG O 2.447 10.131 5.715 1.00 . A A . 3 SER OG 1 1 24 13457 1 1 4 THR C C 0.273 11.241 10.200 1.00 . A A . 4 THR C 1 1 24 13458 1 1 4 THR CA C 1.035 12.030 9.141 1.00 . A A . 4 THR CA 1 1 24 13459 1 1 4 THR CB C 0.053 12.860 8.280 1.00 . A A . 4 THR CB 1 1 24 13460 1 1 4 THR CG2 C -0.900 11.967 7.495 1.00 . A A . 4 THR CG2 1 1 24 13461 1 1 4 THR H H 1.486 10.859 7.443 1.00 . A A . 4 THR H 1 1 24 13462 1 1 4 THR HA H 1.706 12.716 9.646 1.00 . A A . 4 THR HA 1 1 24 13463 1 1 4 THR HB H 0.622 13.446 7.570 1.00 . A A . 4 THR HB 1 1 24 13464 1 1 4 THR HG1 H -0.991 14.508 8.588 1.00 . A A . 4 THR HG1 1 1 24 13465 1 1 4 THR HG21 H -1.594 12.588 6.948 1.00 . A A . 4 THR HG21 1 1 24 13466 1 1 4 THR HG22 H -1.453 11.330 8.168 1.00 . A A . 4 THR HG22 1 1 24 13467 1 1 4 THR HG23 H -0.346 11.360 6.798 1.00 . A A . 4 THR HG23 1 1 24 13468 1 1 4 THR N N 1.832 11.137 8.316 1.00 . A A . 4 THR N 1 1 24 13469 1 1 4 THR O O 0.004 11.760 11.283 1.00 . A A . 4 THR O 1 1 24 13470 1 1 4 THR OG1 O -0.695 13.756 9.108 1.00 . A A . 4 THR OG1 1 1 24 13471 1 1 5 CYS C C -1.884 9.703 11.525 1.00 . A A . 5 CYS C 1 1 24 13472 1 1 5 CYS CA C -0.665 9.077 10.850 1.00 . A A . 5 CYS CA 1 1 24 13473 1 1 5 CYS CB C 0.357 8.619 11.891 1.00 . A A . 5 CYS CB 1 1 24 13474 1 1 5 CYS H H 0.219 9.612 9.022 1.00 . A A . 5 CYS H 1 1 24 13475 1 1 5 CYS HA H -1.018 8.229 10.298 1.00 . A A . 5 CYS HA 1 1 24 13476 1 1 5 CYS HB2 H 0.805 9.486 12.354 1.00 . A A . 5 CYS HB2 1 1 24 13477 1 1 5 CYS HB3 H -0.137 8.024 12.648 1.00 . A A . 5 CYS HB3 1 1 24 13478 1 1 5 CYS N N -0.036 9.983 9.894 1.00 . A A . 5 CYS N 1 1 24 13479 1 1 5 CYS O O -1.932 9.864 12.750 1.00 . A A . 5 CYS O 1 1 24 13480 1 1 5 CYS SG S 1.701 7.606 11.189 1.00 . A A . 5 CYS SG 1 1 24 13481 1 1 6 LEU C C -5.226 9.767 10.447 1.00 . A A . 6 LEU C 1 1 24 13482 1 1 6 LEU CA C -4.142 10.546 11.172 1.00 . A A . 6 LEU CA 1 1 24 13483 1 1 6 LEU CB C -4.309 12.046 10.911 1.00 . A A . 6 LEU CB 1 1 24 13484 1 1 6 LEU CD1 C -3.498 14.400 11.215 1.00 . A A . 6 LEU CD1 1 1 24 13485 1 1 6 LEU CD2 C -3.535 12.837 13.161 1.00 . A A . 6 LEU CD2 1 1 24 13486 1 1 6 LEU CG C -3.330 12.955 11.658 1.00 . A A . 6 LEU CG 1 1 24 13487 1 1 6 LEU H H -2.726 9.948 9.729 1.00 . A A . 6 LEU H 1 1 24 13488 1 1 6 LEU HA H -4.237 10.350 12.232 1.00 . A A . 6 LEU HA 1 1 24 13489 1 1 6 LEU HB2 H -4.181 12.221 9.851 1.00 . A A . 6 LEU HB2 1 1 24 13490 1 1 6 LEU HB3 H -5.317 12.335 11.186 1.00 . A A . 6 LEU HB3 1 1 24 13491 1 1 6 LEU HD11 H -3.326 14.474 10.150 1.00 . A A . 6 LEU HD11 1 1 24 13492 1 1 6 LEU HD12 H -2.784 15.025 11.734 1.00 . A A . 6 LEU HD12 1 1 24 13493 1 1 6 LEU HD13 H -4.501 14.738 11.440 1.00 . A A . 6 LEU HD13 1 1 24 13494 1 1 6 LEU HD21 H -3.328 11.826 13.478 1.00 . A A . 6 LEU HD21 1 1 24 13495 1 1 6 LEU HD22 H -4.556 13.091 13.413 1.00 . A A . 6 LEU HD22 1 1 24 13496 1 1 6 LEU HD23 H -2.863 13.512 13.674 1.00 . A A . 6 LEU HD23 1 1 24 13497 1 1 6 LEU HG H -2.319 12.650 11.431 1.00 . A A . 6 LEU HG 1 1 24 13498 1 1 6 LEU N N -2.849 10.080 10.700 1.00 . A A . 6 LEU N 1 1 24 13499 1 1 6 LEU O O -5.950 8.970 11.044 1.00 . A A . 6 LEU O 1 1 24 13500 1 1 7 ASP C C -5.456 8.928 6.973 1.00 . A A . 7 ASP C 1 1 24 13501 1 1 7 ASP CA C -6.176 9.202 8.279 1.00 . A A . 7 ASP CA 1 1 24 13502 1 1 7 ASP CB C -7.492 9.930 8.003 1.00 . A A . 7 ASP CB 1 1 24 13503 1 1 7 ASP CG C -8.394 9.148 7.069 1.00 . A A . 7 ASP CG 1 1 24 13504 1 1 7 ASP H H -4.696 10.629 8.721 1.00 . A A . 7 ASP H 1 1 24 13505 1 1 7 ASP HA H -6.393 8.255 8.765 1.00 . A A . 7 ASP HA 1 1 24 13506 1 1 7 ASP HB2 H -8.015 10.079 8.936 1.00 . A A . 7 ASP HB2 1 1 24 13507 1 1 7 ASP HB3 H -7.283 10.892 7.556 1.00 . A A . 7 ASP HB3 1 1 24 13508 1 1 7 ASP N N -5.314 9.991 9.146 1.00 . A A . 7 ASP N 1 1 24 13509 1 1 7 ASP O O -4.827 9.825 6.416 1.00 . A A . 7 ASP O 1 1 24 13510 1 1 7 ASP OD1 O -8.938 8.111 7.500 1.00 . A A . 7 ASP OD1 1 1 24 13511 1 1 7 ASP OD2 O -8.553 9.551 5.900 1.00 . A A . 7 ASP OD2 1 1 24 13512 1 1 8 LEU C C -5.892 6.739 4.301 1.00 . A A . 8 LEU C 1 1 24 13513 1 1 8 LEU CA C -4.873 7.319 5.251 1.00 . A A . 8 LEU CA 1 1 24 13514 1 1 8 LEU CB C -3.730 6.315 5.459 1.00 . A A . 8 LEU CB 1 1 24 13515 1 1 8 LEU CD1 C -2.678 7.192 7.580 1.00 . A A . 8 LEU CD1 1 1 24 13516 1 1 8 LEU CD2 C -1.328 5.842 5.976 1.00 . A A . 8 LEU CD2 1 1 24 13517 1 1 8 LEU CG C -2.452 6.855 6.115 1.00 . A A . 8 LEU CG 1 1 24 13518 1 1 8 LEU H H -5.980 6.991 7.029 1.00 . A A . 8 LEU H 1 1 24 13519 1 1 8 LEU HA H -4.461 8.206 4.794 1.00 . A A . 8 LEU HA 1 1 24 13520 1 1 8 LEU HB2 H -4.106 5.500 6.063 1.00 . A A . 8 LEU HB2 1 1 24 13521 1 1 8 LEU HB3 H -3.459 5.913 4.487 1.00 . A A . 8 LEU HB3 1 1 24 13522 1 1 8 LEU HD11 H -1.751 7.097 8.134 1.00 . A A . 8 LEU HD11 1 1 24 13523 1 1 8 LEU HD12 H -3.415 6.528 8.012 1.00 . A A . 8 LEU HD12 1 1 24 13524 1 1 8 LEU HD13 H -3.022 8.208 7.660 1.00 . A A . 8 LEU HD13 1 1 24 13525 1 1 8 LEU HD21 H -1.596 4.925 6.483 1.00 . A A . 8 LEU HD21 1 1 24 13526 1 1 8 LEU HD22 H -0.423 6.242 6.412 1.00 . A A . 8 LEU HD22 1 1 24 13527 1 1 8 LEU HD23 H -1.154 5.634 4.929 1.00 . A A . 8 LEU HD23 1 1 24 13528 1 1 8 LEU HG H -2.150 7.759 5.608 1.00 . A A . 8 LEU HG 1 1 24 13529 1 1 8 LEU N N -5.507 7.685 6.512 1.00 . A A . 8 LEU N 1 1 24 13530 1 1 8 LEU O O -5.581 6.385 3.156 1.00 . A A . 8 LEU O 1 1 24 13531 1 1 9 ALA C C -8.485 6.680 2.749 1.00 . A A . 9 ALA C 1 1 24 13532 1 1 9 ALA CA C -8.229 6.067 4.116 1.00 . A A . 9 ALA CA 1 1 24 13533 1 1 9 ALA CB C -9.466 6.162 4.986 1.00 . A A . 9 ALA CB 1 1 24 13534 1 1 9 ALA H H -7.288 7.068 5.677 1.00 . A A . 9 ALA H 1 1 24 13535 1 1 9 ALA HA H -7.985 5.021 3.999 1.00 . A A . 9 ALA HA 1 1 24 13536 1 1 9 ALA HB1 H -9.350 5.519 5.845 1.00 . A A . 9 ALA HB1 1 1 24 13537 1 1 9 ALA HB2 H -10.338 5.864 4.432 1.00 . A A . 9 ALA HB2 1 1 24 13538 1 1 9 ALA HB3 H -9.592 7.180 5.319 1.00 . A A . 9 ALA HB3 1 1 24 13539 1 1 9 ALA N N -7.116 6.717 4.785 1.00 . A A . 9 ALA N 1 1 24 13540 1 1 9 ALA O O -9.339 7.551 2.592 1.00 . A A . 9 ALA O 1 1 24 13541 1 1 10 CYS C C -7.398 8.230 0.434 1.00 . A A . 10 CYS C 1 1 24 13542 1 1 10 CYS CA C -7.766 6.755 0.429 1.00 . A A . 10 CYS CA 1 1 24 13543 1 1 10 CYS CB C -9.142 6.539 -0.203 1.00 . A A . 10 CYS CB 1 1 24 13544 1 1 10 CYS H H -7.045 5.530 1.972 1.00 . A A . 10 CYS H 1 1 24 13545 1 1 10 CYS HA H -7.024 6.228 -0.155 1.00 . A A . 10 CYS HA 1 1 24 13546 1 1 10 CYS HB2 H -9.909 6.911 0.453 1.00 . A A . 10 CYS HB2 1 1 24 13547 1 1 10 CYS HB3 H -9.194 7.083 -1.137 1.00 . A A . 10 CYS HB3 1 1 24 13548 1 1 10 CYS N N -7.718 6.221 1.774 1.00 . A A . 10 CYS N 1 1 24 13549 1 1 10 CYS O O -8.116 9.067 -0.111 1.00 . A A . 10 CYS O 1 1 24 13550 1 1 10 CYS SG S -9.519 4.793 -0.553 1.00 . A A . 10 CYS SG 1 1 24 13551 1 1 11 THR C C -5.020 10.185 -0.289 1.00 . A A . 11 THR C 1 1 24 13552 1 1 11 THR CA C -5.742 9.907 1.029 1.00 . A A . 11 THR CA 1 1 24 13553 1 1 11 THR CB C -4.772 10.138 2.199 1.00 . A A . 11 THR CB 1 1 24 13554 1 1 11 THR CG2 C -5.531 10.368 3.493 1.00 . A A . 11 THR CG2 1 1 24 13555 1 1 11 THR H H -5.731 7.832 1.464 1.00 . A A . 11 THR H 1 1 24 13556 1 1 11 THR HA H -6.573 10.601 1.113 1.00 . A A . 11 THR HA 1 1 24 13557 1 1 11 THR HB H -4.165 11.017 2.015 1.00 . A A . 11 THR HB 1 1 24 13558 1 1 11 THR HG1 H -4.353 8.254 2.714 1.00 . A A . 11 THR HG1 1 1 24 13559 1 1 11 THR HG21 H -4.842 10.713 4.244 1.00 . A A . 11 THR HG21 1 1 24 13560 1 1 11 THR HG22 H -5.988 9.446 3.815 1.00 . A A . 11 THR HG22 1 1 24 13561 1 1 11 THR HG23 H -6.298 11.117 3.343 1.00 . A A . 11 THR HG23 1 1 24 13562 1 1 11 THR N N -6.266 8.546 1.055 1.00 . A A . 11 THR N 1 1 24 13563 1 1 11 THR O O -4.211 11.105 -0.392 1.00 . A A . 11 THR O 1 1 24 13564 1 1 11 THR OG1 O -3.901 9.005 2.337 1.00 . A A . 11 THR OG1 1 1 24 13565 1 1 12 GLY C C -3.658 8.343 -2.691 1.00 . A A . 12 GLY C 1 1 24 13566 1 1 12 GLY CA C -4.662 9.463 -2.569 1.00 . A A . 12 GLY CA 1 1 24 13567 1 1 12 GLY H H -6.014 8.704 -1.205 1.00 . A A . 12 GLY H 1 1 24 13568 1 1 12 GLY HA2 H -5.394 9.379 -3.361 1.00 . A A . 12 GLY HA2 1 1 24 13569 1 1 12 GLY HA3 H -4.147 10.410 -2.677 1.00 . A A . 12 GLY HA3 1 1 24 13570 1 1 12 GLY N N -5.354 9.399 -1.305 1.00 . A A . 12 GLY N 1 1 24 13571 1 1 12 GLY O O -2.870 8.108 -1.772 1.00 . A A . 12 GLY O 1 1 24 13572 1 1 13 SER C C -1.325 7.066 -3.989 1.00 . A A . 13 SER C 1 1 24 13573 1 1 13 SER CA C -2.757 6.545 -4.036 1.00 . A A . 13 SER CA 1 1 24 13574 1 1 13 SER CB C -3.038 5.880 -5.382 1.00 . A A . 13 SER CB 1 1 24 13575 1 1 13 SER H H -4.352 7.857 -4.506 1.00 . A A . 13 SER H 1 1 24 13576 1 1 13 SER HA H -2.889 5.814 -3.249 1.00 . A A . 13 SER HA 1 1 24 13577 1 1 13 SER HB2 H -2.826 6.575 -6.184 1.00 . A A . 13 SER HB2 1 1 24 13578 1 1 13 SER HB3 H -2.414 5.005 -5.488 1.00 . A A . 13 SER HB3 1 1 24 13579 1 1 13 SER HG H -4.526 4.971 -6.275 1.00 . A A . 13 SER HG 1 1 24 13580 1 1 13 SER N N -3.690 7.634 -3.808 1.00 . A A . 13 SER N 1 1 24 13581 1 1 13 SER O O -0.462 6.496 -3.313 1.00 . A A . 13 SER O 1 1 24 13582 1 1 13 SER OG O -4.396 5.486 -5.475 1.00 . A A . 13 SER OG 1 1 24 13583 1 1 14 LYS C C 0.672 9.290 -3.344 1.00 . A A . 14 LYS C 1 1 24 13584 1 1 14 LYS CA C 0.220 8.820 -4.725 1.00 . A A . 14 LYS CA 1 1 24 13585 1 1 14 LYS CB C 0.214 9.996 -5.710 1.00 . A A . 14 LYS CB 1 1 24 13586 1 1 14 LYS CD C -0.819 12.159 -6.449 1.00 . A A . 14 LYS CD 1 1 24 13587 1 1 14 LYS CE C -1.905 13.193 -6.203 1.00 . A A . 14 LYS CE 1 1 24 13588 1 1 14 LYS CG C -0.823 11.063 -5.395 1.00 . A A . 14 LYS CG 1 1 24 13589 1 1 14 LYS H H -1.845 8.606 -5.158 1.00 . A A . 14 LYS H 1 1 24 13590 1 1 14 LYS HA H 0.912 8.102 -5.080 1.00 . A A . 14 LYS HA 1 1 24 13591 1 1 14 LYS HB2 H 1.193 10.459 -5.713 1.00 . A A . 14 LYS HB2 1 1 24 13592 1 1 14 LYS HB3 H 0.012 9.607 -6.699 1.00 . A A . 14 LYS HB3 1 1 24 13593 1 1 14 LYS HD2 H 0.140 12.656 -6.434 1.00 . A A . 14 LYS HD2 1 1 24 13594 1 1 14 LYS HD3 H -0.979 11.714 -7.423 1.00 . A A . 14 LYS HD3 1 1 24 13595 1 1 14 LYS HE2 H -1.867 13.928 -6.993 1.00 . A A . 14 LYS HE2 1 1 24 13596 1 1 14 LYS HE3 H -2.867 12.701 -6.219 1.00 . A A . 14 LYS HE3 1 1 24 13597 1 1 14 LYS HG2 H -1.802 10.612 -5.364 1.00 . A A . 14 LYS HG2 1 1 24 13598 1 1 14 LYS HG3 H -0.594 11.499 -4.435 1.00 . A A . 14 LYS HG3 1 1 24 13599 1 1 14 LYS HZ1 H -1.909 13.220 -4.116 1.00 . A A . 14 LYS HZ1 1 1 24 13600 1 1 14 LYS HZ2 H -2.409 14.668 -4.825 1.00 . A A . 14 LYS HZ2 1 1 24 13601 1 1 14 LYS HZ3 H -0.769 14.264 -4.809 1.00 . A A . 14 LYS HZ3 1 1 24 13602 1 1 14 LYS N N -1.099 8.193 -4.670 1.00 . A A . 14 LYS N 1 1 24 13603 1 1 14 LYS NZ N -1.734 13.881 -4.899 1.00 . A A . 14 LYS NZ 1 1 24 13604 1 1 14 LYS O O 1.849 9.592 -3.133 1.00 . A A . 14 LYS O 1 1 24 13605 1 1 15 ASP C C 0.460 8.437 -0.273 1.00 . A A . 15 ASP C 1 1 24 13606 1 1 15 ASP CA C 0.066 9.687 -1.032 1.00 . A A . 15 ASP CA 1 1 24 13607 1 1 15 ASP CB C -1.115 10.347 -0.320 1.00 . A A . 15 ASP CB 1 1 24 13608 1 1 15 ASP CG C -0.820 10.588 1.147 1.00 . A A . 15 ASP CG 1 1 24 13609 1 1 15 ASP H H -1.180 9.125 -2.609 1.00 . A A . 15 ASP H 1 1 24 13610 1 1 15 ASP HA H 0.902 10.377 -1.025 1.00 . A A . 15 ASP HA 1 1 24 13611 1 1 15 ASP HB2 H -1.324 11.298 -0.787 1.00 . A A . 15 ASP HB2 1 1 24 13612 1 1 15 ASP HB3 H -1.982 9.717 -0.394 1.00 . A A . 15 ASP HB3 1 1 24 13613 1 1 15 ASP N N -0.262 9.352 -2.407 1.00 . A A . 15 ASP N 1 1 24 13614 1 1 15 ASP O O 1.572 8.338 0.247 1.00 . A A . 15 ASP O 1 1 24 13615 1 1 15 ASP OD1 O 0.059 11.418 1.449 1.00 . A A . 15 ASP OD1 1 1 24 13616 1 1 15 ASP OD2 O -1.458 9.937 1.998 1.00 . A A . 15 ASP OD2 1 1 24 13617 1 1 16 CYS C C 0.833 5.377 0.116 1.00 . A A . 16 CYS C 1 1 24 13618 1 1 16 CYS CA C -0.308 6.287 0.579 1.00 . A A . 16 CYS CA 1 1 24 13619 1 1 16 CYS CB C -1.626 5.513 0.615 1.00 . A A . 16 CYS CB 1 1 24 13620 1 1 16 CYS H H -1.299 7.609 -0.737 1.00 . A A . 16 CYS H 1 1 24 13621 1 1 16 CYS HA H -0.092 6.627 1.583 1.00 . A A . 16 CYS HA 1 1 24 13622 1 1 16 CYS HB2 H -2.431 6.203 0.825 1.00 . A A . 16 CYS HB2 1 1 24 13623 1 1 16 CYS HB3 H -1.797 5.056 -0.351 1.00 . A A . 16 CYS HB3 1 1 24 13624 1 1 16 CYS N N -0.446 7.467 -0.260 1.00 . A A . 16 CYS N 1 1 24 13625 1 1 16 CYS O O 1.269 4.508 0.873 1.00 . A A . 16 CYS O 1 1 24 13626 1 1 16 CYS SG S -1.683 4.207 1.882 1.00 . A A . 16 CYS SG 1 1 24 13627 1 1 17 TYR C C 3.644 4.970 -0.564 1.00 . A A . 17 TYR C 1 1 24 13628 1 1 17 TYR CA C 2.508 4.842 -1.578 1.00 . A A . 17 TYR CA 1 1 24 13629 1 1 17 TYR CB C 3.000 5.365 -2.934 1.00 . A A . 17 TYR CB 1 1 24 13630 1 1 17 TYR CD1 C 1.439 3.816 -4.194 1.00 . A A . 17 TYR CD1 1 1 24 13631 1 1 17 TYR CD2 C 1.963 5.929 -5.160 1.00 . A A . 17 TYR CD2 1 1 24 13632 1 1 17 TYR CE1 C 0.637 3.516 -5.279 1.00 . A A . 17 TYR CE1 1 1 24 13633 1 1 17 TYR CE2 C 1.164 5.636 -6.247 1.00 . A A . 17 TYR CE2 1 1 24 13634 1 1 17 TYR CG C 2.114 5.030 -4.113 1.00 . A A . 17 TYR CG 1 1 24 13635 1 1 17 TYR CZ C 0.504 4.429 -6.303 1.00 . A A . 17 TYR CZ 1 1 24 13636 1 1 17 TYR H H 0.941 6.263 -1.695 1.00 . A A . 17 TYR H 1 1 24 13637 1 1 17 TYR HA H 2.252 3.800 -1.657 1.00 . A A . 17 TYR HA 1 1 24 13638 1 1 17 TYR HB2 H 3.087 6.440 -2.873 1.00 . A A . 17 TYR HB2 1 1 24 13639 1 1 17 TYR HB3 H 3.981 4.950 -3.142 1.00 . A A . 17 TYR HB3 1 1 24 13640 1 1 17 TYR HD1 H 1.540 3.095 -3.401 1.00 . A A . 17 TYR HD1 1 1 24 13641 1 1 17 TYR HD2 H 2.489 6.872 -5.121 1.00 . A A . 17 TYR HD2 1 1 24 13642 1 1 17 TYR HE1 H 0.132 2.575 -5.331 1.00 . A A . 17 TYR HE1 1 1 24 13643 1 1 17 TYR HE2 H 1.062 6.351 -7.050 1.00 . A A . 17 TYR HE2 1 1 24 13644 1 1 17 TYR HH H -1.166 4.504 -7.259 1.00 . A A . 17 TYR HH 1 1 24 13645 1 1 17 TYR N N 1.320 5.569 -1.115 1.00 . A A . 17 TYR N 1 1 24 13646 1 1 17 TYR O O 4.314 3.989 -0.233 1.00 . A A . 17 TYR O 1 1 24 13647 1 1 17 TYR OH O -0.290 4.134 -7.391 1.00 . A A . 17 TYR OH 1 1 24 13648 1 1 18 ALA C C 4.761 5.754 2.197 1.00 . A A . 18 ALA C 1 1 24 13649 1 1 18 ALA CA C 4.930 6.476 0.852 1.00 . A A . 18 ALA CA 1 1 24 13650 1 1 18 ALA CB C 5.097 7.981 1.038 1.00 . A A . 18 ALA CB 1 1 24 13651 1 1 18 ALA H H 3.249 6.925 -0.352 1.00 . A A . 18 ALA H 1 1 24 13652 1 1 18 ALA HA H 5.841 6.110 0.390 1.00 . A A . 18 ALA HA 1 1 24 13653 1 1 18 ALA HB1 H 5.350 8.213 2.065 1.00 . A A . 18 ALA HB1 1 1 24 13654 1 1 18 ALA HB2 H 4.185 8.496 0.773 1.00 . A A . 18 ALA HB2 1 1 24 13655 1 1 18 ALA HB3 H 5.893 8.327 0.395 1.00 . A A . 18 ALA HB3 1 1 24 13656 1 1 18 ALA N N 3.832 6.185 -0.059 1.00 . A A . 18 ALA N 1 1 24 13657 1 1 18 ALA O O 5.628 4.970 2.574 1.00 . A A . 18 ALA O 1 1 24 13658 1 1 19 PRO C C 3.424 3.775 4.087 1.00 . A A . 19 PRO C 1 1 24 13659 1 1 19 PRO CA C 3.425 5.293 4.228 1.00 . A A . 19 PRO CA 1 1 24 13660 1 1 19 PRO CB C 2.048 5.787 4.676 1.00 . A A . 19 PRO CB 1 1 24 13661 1 1 19 PRO CD C 2.555 6.920 2.647 1.00 . A A . 19 PRO CD 1 1 24 13662 1 1 19 PRO CG C 1.865 7.082 3.970 1.00 . A A . 19 PRO CG 1 1 24 13663 1 1 19 PRO HA H 4.164 5.581 4.960 1.00 . A A . 19 PRO HA 1 1 24 13664 1 1 19 PRO HB2 H 1.276 5.080 4.395 1.00 . A A . 19 PRO HB2 1 1 24 13665 1 1 19 PRO HB3 H 2.043 5.923 5.746 1.00 . A A . 19 PRO HB3 1 1 24 13666 1 1 19 PRO HD2 H 1.901 6.521 1.936 1.00 . A A . 19 PRO HD2 1 1 24 13667 1 1 19 PRO HD3 H 2.930 7.867 2.325 1.00 . A A . 19 PRO HD3 1 1 24 13668 1 1 19 PRO HG2 H 0.812 7.277 3.825 1.00 . A A . 19 PRO HG2 1 1 24 13669 1 1 19 PRO HG3 H 2.322 7.879 4.537 1.00 . A A . 19 PRO HG3 1 1 24 13670 1 1 19 PRO N N 3.652 5.980 2.950 1.00 . A A . 19 PRO N 1 1 24 13671 1 1 19 PRO O O 3.932 3.072 4.958 1.00 . A A . 19 PRO O 1 1 24 13672 1 1 20 CYS C C 4.288 1.316 2.620 1.00 . A A . 20 CYS C 1 1 24 13673 1 1 20 CYS CA C 2.859 1.830 2.754 1.00 . A A . 20 CYS CA 1 1 24 13674 1 1 20 CYS CB C 2.046 1.484 1.507 1.00 . A A . 20 CYS CB 1 1 24 13675 1 1 20 CYS H H 2.474 3.870 2.317 1.00 . A A . 20 CYS H 1 1 24 13676 1 1 20 CYS HA H 2.400 1.350 3.610 1.00 . A A . 20 CYS HA 1 1 24 13677 1 1 20 CYS HB2 H 1.021 1.790 1.657 1.00 . A A . 20 CYS HB2 1 1 24 13678 1 1 20 CYS HB3 H 2.454 2.019 0.661 1.00 . A A . 20 CYS HB3 1 1 24 13679 1 1 20 CYS N N 2.866 3.267 2.993 1.00 . A A . 20 CYS N 1 1 24 13680 1 1 20 CYS O O 4.642 0.283 3.194 1.00 . A A . 20 CYS O 1 1 24 13681 1 1 20 CYS SG S 2.044 -0.296 1.091 1.00 . A A . 20 CYS SG 1 1 24 13682 1 1 21 ARG C C 7.233 1.854 3.099 1.00 . A A . 21 ARG C 1 1 24 13683 1 1 21 ARG CA C 6.524 1.723 1.753 1.00 . A A . 21 ARG CA 1 1 24 13684 1 1 21 ARG CB C 7.185 2.627 0.710 1.00 . A A . 21 ARG CB 1 1 24 13685 1 1 21 ARG CD C 9.247 3.157 -0.628 1.00 . A A . 21 ARG CD 1 1 24 13686 1 1 21 ARG CG C 8.683 2.408 0.568 1.00 . A A . 21 ARG CG 1 1 24 13687 1 1 21 ARG CZ C 9.008 5.395 -1.645 1.00 . A A . 21 ARG CZ 1 1 24 13688 1 1 21 ARG H H 4.779 2.887 1.468 1.00 . A A . 21 ARG H 1 1 24 13689 1 1 21 ARG HA H 6.599 0.696 1.421 1.00 . A A . 21 ARG HA 1 1 24 13690 1 1 21 ARG HB2 H 6.723 2.457 -0.232 1.00 . A A . 21 ARG HB2 1 1 24 13691 1 1 21 ARG HB3 H 7.024 3.656 0.994 1.00 . A A . 21 ARG HB3 1 1 24 13692 1 1 21 ARG HD2 H 10.318 3.015 -0.644 1.00 . A A . 21 ARG HD2 1 1 24 13693 1 1 21 ARG HD3 H 8.822 2.732 -1.519 1.00 . A A . 21 ARG HD3 1 1 24 13694 1 1 21 ARG HE H 8.732 4.985 0.296 1.00 . A A . 21 ARG HE 1 1 24 13695 1 1 21 ARG HG2 H 9.179 2.763 1.459 1.00 . A A . 21 ARG HG2 1 1 24 13696 1 1 21 ARG HG3 H 8.877 1.352 0.441 1.00 . A A . 21 ARG HG3 1 1 24 13697 1 1 21 ARG HH11 H 9.580 3.942 -2.957 1.00 . A A . 21 ARG HH11 1 1 24 13698 1 1 21 ARG HH12 H 9.372 5.512 -3.631 1.00 . A A . 21 ARG HH12 1 1 24 13699 1 1 21 ARG HH21 H 8.478 7.052 -0.609 1.00 . A A . 21 ARG HH21 1 1 24 13700 1 1 21 ARG HH22 H 8.752 7.292 -2.303 1.00 . A A . 21 ARG HH22 1 1 24 13701 1 1 21 ARG N N 5.113 2.059 1.887 1.00 . A A . 21 ARG N 1 1 24 13702 1 1 21 ARG NE N 8.966 4.593 -0.578 1.00 . A A . 21 ARG NE 1 1 24 13703 1 1 21 ARG NH1 N 9.348 4.903 -2.835 1.00 . A A . 21 ARG NH1 1 1 24 13704 1 1 21 ARG NH2 N 8.723 6.683 -1.508 1.00 . A A . 21 ARG NH2 1 1 24 13705 1 1 21 ARG O O 8.098 1.053 3.438 1.00 . A A . 21 ARG O 1 1 24 13706 1 1 22 LYS C C 7.095 1.914 6.127 1.00 . A A . 22 LYS C 1 1 24 13707 1 1 22 LYS CA C 7.404 3.084 5.192 1.00 . A A . 22 LYS CA 1 1 24 13708 1 1 22 LYS CB C 6.851 4.385 5.789 1.00 . A A . 22 LYS CB 1 1 24 13709 1 1 22 LYS CD C 6.750 6.907 5.699 1.00 . A A . 22 LYS CD 1 1 24 13710 1 1 22 LYS CE C 7.580 7.422 6.872 1.00 . A A . 22 LYS CE 1 1 24 13711 1 1 22 LYS CG C 7.329 5.641 5.075 1.00 . A A . 22 LYS CG 1 1 24 13712 1 1 22 LYS H H 6.139 3.471 3.542 1.00 . A A . 22 LYS H 1 1 24 13713 1 1 22 LYS HA H 8.479 3.173 5.095 1.00 . A A . 22 LYS HA 1 1 24 13714 1 1 22 LYS HB2 H 5.777 4.356 5.743 1.00 . A A . 22 LYS HB2 1 1 24 13715 1 1 22 LYS HB3 H 7.150 4.438 6.817 1.00 . A A . 22 LYS HB3 1 1 24 13716 1 1 22 LYS HD2 H 6.723 7.676 4.942 1.00 . A A . 22 LYS HD2 1 1 24 13717 1 1 22 LYS HD3 H 5.740 6.716 6.042 1.00 . A A . 22 LYS HD3 1 1 24 13718 1 1 22 LYS HE2 H 8.592 7.590 6.534 1.00 . A A . 22 LYS HE2 1 1 24 13719 1 1 22 LYS HE3 H 7.158 8.360 7.202 1.00 . A A . 22 LYS HE3 1 1 24 13720 1 1 22 LYS HG2 H 8.409 5.677 5.126 1.00 . A A . 22 LYS HG2 1 1 24 13721 1 1 22 LYS HG3 H 7.035 5.595 4.049 1.00 . A A . 22 LYS HG3 1 1 24 13722 1 1 22 LYS HZ1 H 7.873 6.995 8.888 1.00 . A A . 22 LYS HZ1 1 1 24 13723 1 1 22 LYS HZ2 H 8.319 5.737 7.858 1.00 . A A . 22 LYS HZ2 1 1 24 13724 1 1 22 LYS HZ3 H 6.681 6.041 8.168 1.00 . A A . 22 LYS HZ3 1 1 24 13725 1 1 22 LYS N N 6.844 2.862 3.863 1.00 . A A . 22 LYS N 1 1 24 13726 1 1 22 LYS NZ N 7.612 6.480 8.022 1.00 . A A . 22 LYS NZ 1 1 24 13727 1 1 22 LYS O O 7.934 1.512 6.931 1.00 . A A . 22 LYS O 1 1 24 13728 1 1 23 GLN C C 5.964 -1.068 6.413 1.00 . A A . 23 GLN C 1 1 24 13729 1 1 23 GLN CA C 5.452 0.290 6.885 1.00 . A A . 23 GLN CA 1 1 24 13730 1 1 23 GLN CB C 3.923 0.260 6.974 1.00 . A A . 23 GLN CB 1 1 24 13731 1 1 23 GLN CD C 1.812 1.431 7.739 1.00 . A A . 23 GLN CD 1 1 24 13732 1 1 23 GLN CG C 3.316 1.525 7.560 1.00 . A A . 23 GLN CG 1 1 24 13733 1 1 23 GLN H H 5.257 1.725 5.342 1.00 . A A . 23 GLN H 1 1 24 13734 1 1 23 GLN HA H 5.846 0.475 7.878 1.00 . A A . 23 GLN HA 1 1 24 13735 1 1 23 GLN HB2 H 3.515 0.114 5.983 1.00 . A A . 23 GLN HB2 1 1 24 13736 1 1 23 GLN HB3 H 3.647 -0.576 7.597 1.00 . A A . 23 GLN HB3 1 1 24 13737 1 1 23 GLN HE21 H 1.902 -0.533 8.135 1.00 . A A . 23 GLN HE21 1 1 24 13738 1 1 23 GLN HE22 H 0.345 0.177 8.135 1.00 . A A . 23 GLN HE22 1 1 24 13739 1 1 23 GLN HG2 H 3.735 1.673 8.508 1.00 . A A . 23 GLN HG2 1 1 24 13740 1 1 23 GLN HG3 H 3.540 2.361 6.936 1.00 . A A . 23 GLN HG3 1 1 24 13741 1 1 23 GLN N N 5.891 1.369 6.008 1.00 . A A . 23 GLN N 1 1 24 13742 1 1 23 GLN NE2 N 1.317 0.239 8.031 1.00 . A A . 23 GLN NE2 1 1 24 13743 1 1 23 GLN O O 6.570 -1.810 7.183 1.00 . A A . 23 GLN O 1 1 24 13744 1 1 23 GLN OE1 O 1.104 2.433 7.641 1.00 . A A . 23 GLN OE1 1 1 24 13745 1 1 24 THR C C 7.409 -2.804 3.997 1.00 . A A . 24 THR C 1 1 24 13746 1 1 24 THR CA C 6.033 -2.733 4.653 1.00 . A A . 24 THR CA 1 1 24 13747 1 1 24 THR CB C 4.974 -3.207 3.640 1.00 . A A . 24 THR CB 1 1 24 13748 1 1 24 THR CG2 C 3.592 -3.264 4.275 1.00 . A A . 24 THR CG2 1 1 24 13749 1 1 24 THR H H 5.237 -0.768 4.568 1.00 . A A . 24 THR H 1 1 24 13750 1 1 24 THR HA H 6.027 -3.426 5.488 1.00 . A A . 24 THR HA 1 1 24 13751 1 1 24 THR HB H 5.220 -4.185 3.330 1.00 . A A . 24 THR HB 1 1 24 13752 1 1 24 THR HG1 H 4.611 -2.802 1.739 1.00 . A A . 24 THR HG1 1 1 24 13753 1 1 24 THR HG21 H 3.314 -2.281 4.626 1.00 . A A . 24 THR HG21 1 1 24 13754 1 1 24 THR HG22 H 3.604 -3.954 5.107 1.00 . A A . 24 THR HG22 1 1 24 13755 1 1 24 THR HG23 H 2.874 -3.599 3.541 1.00 . A A . 24 THR HG23 1 1 24 13756 1 1 24 THR N N 5.723 -1.397 5.151 1.00 . A A . 24 THR N 1 1 24 13757 1 1 24 THR O O 8.068 -3.844 4.026 1.00 . A A . 24 THR O 1 1 24 13758 1 1 24 THR OG1 O 4.944 -2.329 2.506 1.00 . A A . 24 THR OG1 1 1 24 13759 1 1 25 GLY C C 8.795 -1.658 1.161 1.00 . A A . 25 GLY C 1 1 24 13760 1 1 25 GLY CA C 9.074 -1.697 2.649 1.00 . A A . 25 GLY CA 1 1 24 13761 1 1 25 GLY H H 7.300 -0.883 3.426 1.00 . A A . 25 GLY H 1 1 24 13762 1 1 25 GLY HA2 H 9.645 -0.819 2.913 1.00 . A A . 25 GLY HA2 1 1 24 13763 1 1 25 GLY HA3 H 9.671 -2.573 2.869 1.00 . A A . 25 GLY HA3 1 1 24 13764 1 1 25 GLY N N 7.849 -1.696 3.421 1.00 . A A . 25 GLY N 1 1 24 13765 1 1 25 GLY O O 9.682 -1.373 0.357 1.00 . A A . 25 GLY O 1 1 24 13766 1 1 26 CYS C C 6.121 -0.818 -0.834 1.00 . A A . 26 CYS C 1 1 24 13767 1 1 26 CYS CA C 7.141 -1.928 -0.598 1.00 . A A . 26 CYS CA 1 1 24 13768 1 1 26 CYS CB C 6.553 -3.288 -0.984 1.00 . A A . 26 CYS CB 1 1 24 13769 1 1 26 CYS H H 6.872 -2.151 1.464 1.00 . A A . 26 CYS H 1 1 24 13770 1 1 26 CYS HA H 8.013 -1.761 -1.208 1.00 . A A . 26 CYS HA 1 1 24 13771 1 1 26 CYS HB2 H 5.695 -3.483 -0.369 1.00 . A A . 26 CYS HB2 1 1 24 13772 1 1 26 CYS HB3 H 6.241 -3.255 -2.020 1.00 . A A . 26 CYS HB3 1 1 24 13773 1 1 26 CYS N N 7.553 -1.936 0.795 1.00 . A A . 26 CYS N 1 1 24 13774 1 1 26 CYS O O 5.138 -0.708 -0.106 1.00 . A A . 26 CYS O 1 1 24 13775 1 1 26 CYS SG S 7.722 -4.679 -0.812 1.00 . A A . 26 CYS SG 1 1 24 13776 1 1 27 PRO C C 4.239 0.814 -2.941 1.00 . A A . 27 PRO C 1 1 24 13777 1 1 27 PRO CA C 5.486 1.178 -2.136 1.00 . A A . 27 PRO CA 1 1 24 13778 1 1 27 PRO CB C 6.409 2.074 -2.959 1.00 . A A . 27 PRO CB 1 1 24 13779 1 1 27 PRO CD C 7.463 -0.074 -2.813 1.00 . A A . 27 PRO CD 1 1 24 13780 1 1 27 PRO CG C 7.259 1.114 -3.720 1.00 . A A . 27 PRO CG 1 1 24 13781 1 1 27 PRO HA H 5.184 1.692 -1.238 1.00 . A A . 27 PRO HA 1 1 24 13782 1 1 27 PRO HB2 H 5.837 2.711 -3.623 1.00 . A A . 27 PRO HB2 1 1 24 13783 1 1 27 PRO HB3 H 6.999 2.684 -2.306 1.00 . A A . 27 PRO HB3 1 1 24 13784 1 1 27 PRO HD2 H 7.409 -0.994 -3.377 1.00 . A A . 27 PRO HD2 1 1 24 13785 1 1 27 PRO HD3 H 8.414 0.006 -2.307 1.00 . A A . 27 PRO HD3 1 1 24 13786 1 1 27 PRO HG2 H 6.752 0.812 -4.625 1.00 . A A . 27 PRO HG2 1 1 24 13787 1 1 27 PRO HG3 H 8.208 1.572 -3.956 1.00 . A A . 27 PRO HG3 1 1 24 13788 1 1 27 PRO N N 6.344 0.024 -1.852 1.00 . A A . 27 PRO N 1 1 24 13789 1 1 27 PRO O O 3.623 1.673 -3.568 1.00 . A A . 27 PRO O 1 1 24 13790 1 1 28 ASN C C 1.455 -0.846 -2.856 1.00 . A A . 28 ASN C 1 1 24 13791 1 1 28 ASN CA C 2.731 -0.928 -3.685 1.00 . A A . 28 ASN CA 1 1 24 13792 1 1 28 ASN CB C 2.957 -2.363 -4.170 1.00 . A A . 28 ASN CB 1 1 24 13793 1 1 28 ASN CG C 4.076 -2.465 -5.186 1.00 . A A . 28 ASN CG 1 1 24 13794 1 1 28 ASN H H 4.385 -1.111 -2.419 1.00 . A A . 28 ASN H 1 1 24 13795 1 1 28 ASN HA H 2.610 -0.293 -4.560 1.00 . A A . 28 ASN HA 1 1 24 13796 1 1 28 ASN HB2 H 3.209 -2.986 -3.327 1.00 . A A . 28 ASN HB2 1 1 24 13797 1 1 28 ASN HB3 H 2.065 -2.738 -4.630 1.00 . A A . 28 ASN HB3 1 1 24 13798 1 1 28 ASN HD21 H 2.822 -1.986 -6.666 1.00 . A A . 28 ASN HD21 1 1 24 13799 1 1 28 ASN HD22 H 4.463 -2.280 -7.119 1.00 . A A . 28 ASN HD22 1 1 24 13800 1 1 28 ASN N N 3.878 -0.455 -2.925 1.00 . A A . 28 ASN N 1 1 24 13801 1 1 28 ASN ND2 N 3.753 -2.219 -6.446 1.00 . A A . 28 ASN ND2 1 1 24 13802 1 1 28 ASN O O 1.108 -1.783 -2.129 1.00 . A A . 28 ASN O 1 1 24 13803 1 1 28 ASN OD1 O 5.225 -2.746 -4.843 1.00 . A A . 28 ASN OD1 1 1 24 13804 1 1 29 ALA C C -1.586 0.917 -3.227 1.00 . A A . 29 ALA C 1 1 24 13805 1 1 29 ALA CA C -0.489 0.490 -2.259 1.00 . A A . 29 ALA CA 1 1 24 13806 1 1 29 ALA CB C -0.310 1.532 -1.167 1.00 . A A . 29 ALA CB 1 1 24 13807 1 1 29 ALA H H 1.092 0.993 -3.563 1.00 . A A . 29 ALA H 1 1 24 13808 1 1 29 ALA HA H -0.790 -0.431 -1.796 1.00 . A A . 29 ALA HA 1 1 24 13809 1 1 29 ALA HB1 H -0.257 1.036 -0.211 1.00 . A A . 29 ALA HB1 1 1 24 13810 1 1 29 ALA HB2 H -1.143 2.222 -1.159 1.00 . A A . 29 ALA HB2 1 1 24 13811 1 1 29 ALA HB3 H 0.605 2.086 -1.329 1.00 . A A . 29 ALA HB3 1 1 24 13812 1 1 29 ALA N N 0.763 0.280 -2.969 1.00 . A A . 29 ALA N 1 1 24 13813 1 1 29 ALA O O -1.308 1.271 -4.373 1.00 . A A . 29 ALA O 1 1 24 13814 1 1 30 LYS C C -5.157 1.634 -2.710 1.00 . A A . 30 LYS C 1 1 24 13815 1 1 30 LYS CA C -3.951 1.312 -3.587 1.00 . A A . 30 LYS CA 1 1 24 13816 1 1 30 LYS CB C -4.331 0.240 -4.612 1.00 . A A . 30 LYS CB 1 1 24 13817 1 1 30 LYS CD C -5.764 -0.337 -6.607 1.00 . A A . 30 LYS CD 1 1 24 13818 1 1 30 LYS CE C -6.573 0.235 -7.761 1.00 . A A . 30 LYS CE 1 1 24 13819 1 1 30 LYS CG C -5.217 0.770 -5.728 1.00 . A A . 30 LYS CG 1 1 24 13820 1 1 30 LYS H H -2.997 0.565 -1.850 1.00 . A A . 30 LYS H 1 1 24 13821 1 1 30 LYS HA H -3.656 2.217 -4.109 1.00 . A A . 30 LYS HA 1 1 24 13822 1 1 30 LYS HB2 H -3.426 -0.148 -5.060 1.00 . A A . 30 LYS HB2 1 1 24 13823 1 1 30 LYS HB3 H -4.848 -0.570 -4.111 1.00 . A A . 30 LYS HB3 1 1 24 13824 1 1 30 LYS HD2 H -4.945 -0.897 -7.014 1.00 . A A . 30 LYS HD2 1 1 24 13825 1 1 30 LYS HD3 H -6.396 -0.983 -6.017 1.00 . A A . 30 LYS HD3 1 1 24 13826 1 1 30 LYS HE2 H -5.921 0.829 -8.384 1.00 . A A . 30 LYS HE2 1 1 24 13827 1 1 30 LYS HE3 H -6.971 -0.585 -8.342 1.00 . A A . 30 LYS HE3 1 1 24 13828 1 1 30 LYS HG2 H -6.054 1.283 -5.306 1.00 . A A . 30 LYS HG2 1 1 24 13829 1 1 30 LYS HG3 H -4.639 1.452 -6.336 1.00 . A A . 30 LYS HG3 1 1 24 13830 1 1 30 LYS HZ1 H -8.345 1.282 -8.088 1.00 . A A . 30 LYS HZ1 1 1 24 13831 1 1 30 LYS HZ2 H -7.344 1.993 -6.931 1.00 . A A . 30 LYS HZ2 1 1 24 13832 1 1 30 LYS HZ3 H -8.239 0.608 -6.541 1.00 . A A . 30 LYS HZ3 1 1 24 13833 1 1 30 LYS N N -2.830 0.871 -2.774 1.00 . A A . 30 LYS N 1 1 24 13834 1 1 30 LYS NZ N -7.701 1.087 -7.295 1.00 . A A . 30 LYS NZ 1 1 24 13835 1 1 30 LYS O O -5.238 1.194 -1.561 1.00 . A A . 30 LYS O 1 1 24 13836 1 1 31 CYS C C -8.457 1.857 -2.943 1.00 . A A . 31 CYS C 1 1 24 13837 1 1 31 CYS CA C -7.302 2.779 -2.564 1.00 . A A . 31 CYS CA 1 1 24 13838 1 1 31 CYS CB C -7.663 4.229 -2.904 1.00 . A A . 31 CYS CB 1 1 24 13839 1 1 31 CYS H H -5.957 2.732 -4.176 1.00 . A A . 31 CYS H 1 1 24 13840 1 1 31 CYS HA H -7.128 2.716 -1.495 1.00 . A A . 31 CYS HA 1 1 24 13841 1 1 31 CYS HB2 H -7.041 4.891 -2.321 1.00 . A A . 31 CYS HB2 1 1 24 13842 1 1 31 CYS HB3 H -7.477 4.405 -3.955 1.00 . A A . 31 CYS HB3 1 1 24 13843 1 1 31 CYS N N -6.086 2.398 -3.263 1.00 . A A . 31 CYS N 1 1 24 13844 1 1 31 CYS O O -8.839 1.780 -4.115 1.00 . A A . 31 CYS O 1 1 24 13845 1 1 31 CYS SG S -9.403 4.675 -2.572 1.00 . A A . 31 CYS SG 1 1 24 13846 1 1 32 ILE C C -11.103 0.444 -0.921 1.00 . A A . 32 ILE C 1 1 24 13847 1 1 32 ILE CA C -10.202 0.343 -2.147 1.00 . A A . 32 ILE CA 1 1 24 13848 1 1 32 ILE CB C -9.910 -1.154 -2.417 1.00 . A A . 32 ILE CB 1 1 24 13849 1 1 32 ILE CD1 C -9.128 -3.303 -1.311 1.00 . A A . 32 ILE CD1 1 1 24 13850 1 1 32 ILE CG1 C -9.175 -1.793 -1.238 1.00 . A A . 32 ILE CG1 1 1 24 13851 1 1 32 ILE CG2 C -9.119 -1.336 -3.706 1.00 . A A . 32 ILE CG2 1 1 24 13852 1 1 32 ILE H H -8.633 1.235 -1.042 1.00 . A A . 32 ILE H 1 1 24 13853 1 1 32 ILE HA H -10.746 0.739 -3.002 1.00 . A A . 32 ILE HA 1 1 24 13854 1 1 32 ILE HB H -10.860 -1.657 -2.553 1.00 . A A . 32 ILE HB 1 1 24 13855 1 1 32 ILE HD11 H -8.535 -3.606 -2.160 1.00 . A A . 32 ILE HD11 1 1 24 13856 1 1 32 ILE HD12 H -10.131 -3.694 -1.413 1.00 . A A . 32 ILE HD12 1 1 24 13857 1 1 32 ILE HD13 H -8.683 -3.691 -0.407 1.00 . A A . 32 ILE HD13 1 1 24 13858 1 1 32 ILE HG12 H -8.177 -1.420 -1.202 1.00 . A A . 32 ILE HG12 1 1 24 13859 1 1 32 ILE HG13 H -9.666 -1.550 -0.312 1.00 . A A . 32 ILE HG13 1 1 24 13860 1 1 32 ILE HG21 H -9.653 -0.875 -4.526 1.00 . A A . 32 ILE HG21 1 1 24 13861 1 1 32 ILE HG22 H -8.994 -2.389 -3.913 1.00 . A A . 32 ILE HG22 1 1 24 13862 1 1 32 ILE HG23 H -8.148 -0.871 -3.605 1.00 . A A . 32 ILE HG23 1 1 24 13863 1 1 32 ILE N N -8.997 1.145 -1.954 1.00 . A A . 32 ILE N 1 1 24 13864 1 1 32 ILE O O -10.618 0.478 0.209 1.00 . A A . 32 ILE O 1 1 24 13865 1 1 33 ASN C C -13.107 1.658 0.917 1.00 . A A . 33 ASN C 1 1 24 13866 1 1 33 ASN CA C -13.414 0.551 -0.098 1.00 . A A . 33 ASN CA 1 1 24 13867 1 1 33 ASN CB C -13.500 -0.814 0.603 1.00 . A A . 33 ASN CB 1 1 24 13868 1 1 33 ASN CG C -14.829 -1.025 1.303 1.00 . A A . 33 ASN CG 1 1 24 13869 1 1 33 ASN H H -12.725 0.494 -2.093 1.00 . A A . 33 ASN H 1 1 24 13870 1 1 33 ASN HA H -14.363 0.771 -0.567 1.00 . A A . 33 ASN HA 1 1 24 13871 1 1 33 ASN HB2 H -13.375 -1.598 -0.133 1.00 . A A . 33 ASN HB2 1 1 24 13872 1 1 33 ASN HB3 H -12.709 -0.899 1.338 1.00 . A A . 33 ASN HB3 1 1 24 13873 1 1 33 ASN HD21 H -15.602 -1.850 -0.343 1.00 . A A . 33 ASN HD21 1 1 24 13874 1 1 33 ASN HD22 H -16.654 -1.739 1.023 1.00 . A A . 33 ASN HD22 1 1 24 13875 1 1 33 ASN N N -12.406 0.511 -1.162 1.00 . A A . 33 ASN N 1 1 24 13876 1 1 33 ASN ND2 N -15.787 -1.594 0.589 1.00 . A A . 33 ASN ND2 1 1 24 13877 1 1 33 ASN O O -13.218 1.461 2.129 1.00 . A A . 33 ASN O 1 1 24 13878 1 1 33 ASN OD1 O -14.996 -0.684 2.472 1.00 . A A . 33 ASN OD1 1 1 24 13879 1 1 34 LYS C C -11.252 3.619 2.235 1.00 . A A . 34 LYS C 1 1 24 13880 1 1 34 LYS CA C -12.335 3.972 1.221 1.00 . A A . 34 LYS CA 1 1 24 13881 1 1 34 LYS CB C -13.547 4.559 1.942 1.00 . A A . 34 LYS CB 1 1 24 13882 1 1 34 LYS CD C -15.553 6.049 1.826 1.00 . A A . 34 LYS CD 1 1 24 13883 1 1 34 LYS CE C -16.443 6.884 0.922 1.00 . A A . 34 LYS CE 1 1 24 13884 1 1 34 LYS CG C -14.475 5.341 1.033 1.00 . A A . 34 LYS CG 1 1 24 13885 1 1 34 LYS H H -12.641 2.917 -0.579 1.00 . A A . 34 LYS H 1 1 24 13886 1 1 34 LYS HA H -11.949 4.722 0.560 1.00 . A A . 34 LYS HA 1 1 24 13887 1 1 34 LYS HB2 H -14.112 3.757 2.391 1.00 . A A . 34 LYS HB2 1 1 24 13888 1 1 34 LYS HB3 H -13.211 5.231 2.725 1.00 . A A . 34 LYS HB3 1 1 24 13889 1 1 34 LYS HD2 H -16.162 5.313 2.331 1.00 . A A . 34 LYS HD2 1 1 24 13890 1 1 34 LYS HD3 H -15.090 6.700 2.556 1.00 . A A . 34 LYS HD3 1 1 24 13891 1 1 34 LYS HE2 H -17.182 7.384 1.531 1.00 . A A . 34 LYS HE2 1 1 24 13892 1 1 34 LYS HE3 H -15.838 7.623 0.416 1.00 . A A . 34 LYS HE3 1 1 24 13893 1 1 34 LYS HG2 H -13.897 6.076 0.488 1.00 . A A . 34 LYS HG2 1 1 24 13894 1 1 34 LYS HG3 H -14.938 4.655 0.338 1.00 . A A . 34 LYS HG3 1 1 24 13895 1 1 34 LYS HZ1 H -16.467 5.707 -0.807 1.00 . A A . 34 LYS HZ1 1 1 24 13896 1 1 34 LYS HZ2 H -17.870 6.615 -0.574 1.00 . A A . 34 LYS HZ2 1 1 24 13897 1 1 34 LYS HZ3 H -17.604 5.230 0.356 1.00 . A A . 34 LYS HZ3 1 1 24 13898 1 1 34 LYS N N -12.712 2.820 0.397 1.00 . A A . 34 LYS N 1 1 24 13899 1 1 34 LYS NZ N -17.142 6.049 -0.094 1.00 . A A . 34 LYS NZ 1 1 24 13900 1 1 34 LYS O O -11.264 4.106 3.365 1.00 . A A . 34 LYS O 1 1 24 13901 1 1 35 SER C C -7.989 2.111 1.811 1.00 . A A . 35 SER C 1 1 24 13902 1 1 35 SER CA C -9.206 2.406 2.677 1.00 . A A . 35 SER CA 1 1 24 13903 1 1 35 SER CB C -9.563 1.187 3.532 1.00 . A A . 35 SER CB 1 1 24 13904 1 1 35 SER H H -10.368 2.396 0.920 1.00 . A A . 35 SER H 1 1 24 13905 1 1 35 SER HA H -8.974 3.238 3.330 1.00 . A A . 35 SER HA 1 1 24 13906 1 1 35 SER HB2 H -10.575 1.292 3.898 1.00 . A A . 35 SER HB2 1 1 24 13907 1 1 35 SER HB3 H -9.492 0.282 2.941 1.00 . A A . 35 SER HB3 1 1 24 13908 1 1 35 SER HG H -8.998 0.359 5.217 1.00 . A A . 35 SER HG 1 1 24 13909 1 1 35 SER N N -10.326 2.768 1.832 1.00 . A A . 35 SER N 1 1 24 13910 1 1 35 SER O O -8.120 1.664 0.670 1.00 . A A . 35 SER O 1 1 24 13911 1 1 35 SER OG O -8.697 1.073 4.650 1.00 . A A . 35 SER OG 1 1 24 13912 1 1 36 CYS C C -5.093 0.713 1.945 1.00 . A A . 36 CYS C 1 1 24 13913 1 1 36 CYS CA C -5.590 2.108 1.612 1.00 . A A . 36 CYS CA 1 1 24 13914 1 1 36 CYS CB C -4.510 3.132 1.949 1.00 . A A . 36 CYS CB 1 1 24 13915 1 1 36 CYS H H -6.758 2.762 3.247 1.00 . A A . 36 CYS H 1 1 24 13916 1 1 36 CYS HA H -5.794 2.175 0.551 1.00 . A A . 36 CYS HA 1 1 24 13917 1 1 36 CYS HB2 H -4.857 4.116 1.669 1.00 . A A . 36 CYS HB2 1 1 24 13918 1 1 36 CYS HB3 H -4.314 3.112 3.012 1.00 . A A . 36 CYS HB3 1 1 24 13919 1 1 36 CYS N N -6.812 2.387 2.335 1.00 . A A . 36 CYS N 1 1 24 13920 1 1 36 CYS O O -4.961 0.353 3.116 1.00 . A A . 36 CYS O 1 1 24 13921 1 1 36 CYS SG S -2.936 2.832 1.085 1.00 . A A . 36 CYS SG 1 1 24 13922 1 1 37 LYS C C -2.954 -1.548 0.441 1.00 . A A . 37 LYS C 1 1 24 13923 1 1 37 LYS CA C -4.309 -1.411 1.110 1.00 . A A . 37 LYS CA 1 1 24 13924 1 1 37 LYS CB C -5.296 -2.463 0.574 1.00 . A A . 37 LYS CB 1 1 24 13925 1 1 37 LYS CD C -4.725 -2.606 -1.909 1.00 . A A . 37 LYS CD 1 1 24 13926 1 1 37 LYS CE C -4.273 -4.056 -1.793 1.00 . A A . 37 LYS CE 1 1 24 13927 1 1 37 LYS CG C -5.775 -2.241 -0.863 1.00 . A A . 37 LYS CG 1 1 24 13928 1 1 37 LYS H H -4.953 0.261 0.004 1.00 . A A . 37 LYS H 1 1 24 13929 1 1 37 LYS HA H -4.173 -1.591 2.171 1.00 . A A . 37 LYS HA 1 1 24 13930 1 1 37 LYS HB2 H -4.861 -3.441 0.668 1.00 . A A . 37 LYS HB2 1 1 24 13931 1 1 37 LYS HB3 H -6.171 -2.435 1.209 1.00 . A A . 37 LYS HB3 1 1 24 13932 1 1 37 LYS HD2 H -5.174 -2.479 -2.883 1.00 . A A . 37 LYS HD2 1 1 24 13933 1 1 37 LYS HD3 H -3.885 -1.961 -1.840 1.00 . A A . 37 LYS HD3 1 1 24 13934 1 1 37 LYS HE2 H -3.522 -4.234 -2.548 1.00 . A A . 37 LYS HE2 1 1 24 13935 1 1 37 LYS HE3 H -3.837 -4.227 -0.825 1.00 . A A . 37 LYS HE3 1 1 24 13936 1 1 37 LYS HG2 H -6.627 -2.863 -1.025 1.00 . A A . 37 LYS HG2 1 1 24 13937 1 1 37 LYS HG3 H -6.057 -1.210 -0.996 1.00 . A A . 37 LYS HG3 1 1 24 13938 1 1 37 LYS HZ1 H -5.875 -4.811 -2.906 1.00 . A A . 37 LYS HZ1 1 1 24 13939 1 1 37 LYS HZ2 H -6.070 -4.953 -1.230 1.00 . A A . 37 LYS HZ2 1 1 24 13940 1 1 37 LYS HZ3 H -5.012 -5.984 -2.047 1.00 . A A . 37 LYS HZ3 1 1 24 13941 1 1 37 LYS N N -4.828 -0.072 0.920 1.00 . A A . 37 LYS N 1 1 24 13942 1 1 37 LYS NZ N -5.385 -5.014 -2.009 1.00 . A A . 37 LYS NZ 1 1 24 13943 1 1 37 LYS O O -2.654 -0.838 -0.514 1.00 . A A . 37 LYS O 1 1 24 13944 1 1 38 CYS C C -0.920 -4.109 -0.328 1.00 . A A . 38 CYS C 1 1 24 13945 1 1 38 CYS CA C -0.857 -2.747 0.342 1.00 . A A . 38 CYS CA 1 1 24 13946 1 1 38 CYS CB C 0.248 -2.714 1.400 1.00 . A A . 38 CYS CB 1 1 24 13947 1 1 38 CYS H H -2.436 -2.995 1.719 1.00 . A A . 38 CYS H 1 1 24 13948 1 1 38 CYS HA H -0.635 -2.004 -0.410 1.00 . A A . 38 CYS HA 1 1 24 13949 1 1 38 CYS HB2 H -0.010 -3.401 2.193 1.00 . A A . 38 CYS HB2 1 1 24 13950 1 1 38 CYS HB3 H 1.183 -3.027 0.954 1.00 . A A . 38 CYS HB3 1 1 24 13951 1 1 38 CYS N N -2.143 -2.454 0.948 1.00 . A A . 38 CYS N 1 1 24 13952 1 1 38 CYS O O -1.676 -4.979 0.102 1.00 . A A . 38 CYS O 1 1 24 13953 1 1 38 CYS SG S 0.502 -1.075 2.159 1.00 . A A . 38 CYS SG 1 1 24 13954 1 1 39 TYR C C 0.596 -6.653 -1.479 1.00 . A A . 39 TYR C 1 1 24 13955 1 1 39 TYR CA C -0.178 -5.530 -2.165 1.00 . A A . 39 TYR CA 1 1 24 13956 1 1 39 TYR CB C 0.377 -5.302 -3.573 1.00 . A A . 39 TYR CB 1 1 24 13957 1 1 39 TYR CD1 C -0.505 -3.147 -4.556 1.00 . A A . 39 TYR CD1 1 1 24 13958 1 1 39 TYR CD2 C -1.474 -5.198 -5.285 1.00 . A A . 39 TYR CD2 1 1 24 13959 1 1 39 TYR CE1 C -1.348 -2.446 -5.395 1.00 . A A . 39 TYR CE1 1 1 24 13960 1 1 39 TYR CE2 C -2.322 -4.503 -6.126 1.00 . A A . 39 TYR CE2 1 1 24 13961 1 1 39 TYR CG C -0.553 -4.532 -4.484 1.00 . A A . 39 TYR CG 1 1 24 13962 1 1 39 TYR CZ C -2.253 -3.127 -6.178 1.00 . A A . 39 TYR CZ 1 1 24 13963 1 1 39 TYR H H 0.445 -3.554 -1.688 1.00 . A A . 39 TYR H 1 1 24 13964 1 1 39 TYR HA H -1.214 -5.843 -2.249 1.00 . A A . 39 TYR HA 1 1 24 13965 1 1 39 TYR HB2 H 1.306 -4.753 -3.496 1.00 . A A . 39 TYR HB2 1 1 24 13966 1 1 39 TYR HB3 H 0.582 -6.261 -4.040 1.00 . A A . 39 TYR HB3 1 1 24 13967 1 1 39 TYR HD1 H 0.182 -2.626 -3.955 1.00 . A A . 39 TYR HD1 1 1 24 13968 1 1 39 TYR HD2 H -1.529 -6.277 -5.244 1.00 . A A . 39 TYR HD2 1 1 24 13969 1 1 39 TYR HE1 H -1.294 -1.368 -5.436 1.00 . A A . 39 TYR HE1 1 1 24 13970 1 1 39 TYR HE2 H -3.032 -5.038 -6.740 1.00 . A A . 39 TYR HE2 1 1 24 13971 1 1 39 TYR HH H -4.009 -2.699 -6.863 1.00 . A A . 39 TYR HH 1 1 24 13972 1 1 39 TYR N N -0.138 -4.292 -1.386 1.00 . A A . 39 TYR N 1 1 24 13973 1 1 39 TYR O O 0.698 -7.762 -2.007 1.00 . A A . 39 TYR O 1 1 24 13974 1 1 39 TYR OH O -3.097 -2.430 -7.016 1.00 . A A . 39 TYR OH 1 1 24 13975 1 1 40 GLY C C 3.327 -7.161 0.428 1.00 . A A . 40 GLY C 1 1 24 13976 1 1 40 GLY CA C 1.834 -7.374 0.458 1.00 . A A . 40 GLY CA 1 1 24 13977 1 1 40 GLY H H 1.028 -5.488 0.100 1.00 . A A . 40 GLY H 1 1 24 13978 1 1 40 GLY HA2 H 1.489 -7.326 1.481 1.00 . A A . 40 GLY HA2 1 1 24 13979 1 1 40 GLY HA3 H 1.617 -8.365 0.076 1.00 . A A . 40 GLY HA3 1 1 24 13980 1 1 40 GLY N N 1.122 -6.368 -0.299 1.00 . A A . 40 GLY N 1 1 24 13981 1 1 40 GLY O O 3.915 -6.970 -0.639 1.00 . A A . 40 GLY O 1 1 24 13982 1 1 41 CYS C C 5.813 -7.291 3.141 1.00 . A A . 41 CYS C 1 1 24 13983 1 1 41 CYS CA C 5.372 -6.986 1.714 1.00 . A A . 41 CYS CA 1 1 24 13984 1 1 41 CYS CB C 5.741 -5.550 1.324 1.00 . A A . 41 CYS CB 1 1 24 13985 1 1 41 CYS H H 3.413 -7.346 2.417 1.00 . A A . 41 CYS H 1 1 24 13986 1 1 41 CYS HA H 5.869 -7.678 1.045 1.00 . A A . 41 CYS HA 1 1 24 13987 1 1 41 CYS HB2 H 5.268 -5.319 0.390 1.00 . A A . 41 CYS HB2 1 1 24 13988 1 1 41 CYS HB3 H 5.377 -4.887 2.047 1.00 . A A . 41 CYS HB3 1 1 24 13989 1 1 41 CYS N N 3.942 -7.191 1.597 1.00 . A A . 41 CYS N 1 1 24 13990 1 1 41 CYS O O 5.792 -6.375 3.987 1.00 . A A . 41 CYS O 1 1 24 13991 1 1 41 CYS OXT O 6.153 -8.461 3.417 1.00 . A A . 41 CYS OXT 1 1 24 13992 1 1 41 CYS SG S 7.530 -5.259 1.126 1.00 . A A . 41 CYS SG 1 1 25 13993 1 1 1 TRP C C 5.357 3.284 11.307 1.00 . A A . 1 TRP C 1 1 25 13994 1 1 1 TRP CA C 5.596 1.812 11.020 1.00 . A A . 1 TRP CA 1 1 25 13995 1 1 1 TRP CB C 5.428 1.008 12.310 1.00 . A A . 1 TRP CB 1 1 25 13996 1 1 1 TRP CD1 C 4.721 -1.170 11.165 1.00 . A A . 1 TRP CD1 1 1 25 13997 1 1 1 TRP CD2 C 6.159 -1.443 12.858 1.00 . A A . 1 TRP CD2 1 1 25 13998 1 1 1 TRP CE2 C 5.851 -2.707 12.322 1.00 . A A . 1 TRP CE2 1 1 25 13999 1 1 1 TRP CE3 C 7.047 -1.364 13.934 1.00 . A A . 1 TRP CE3 1 1 25 14000 1 1 1 TRP CG C 5.429 -0.473 12.101 1.00 . A A . 1 TRP CG 1 1 25 14001 1 1 1 TRP CH2 C 7.262 -3.777 13.882 1.00 . A A . 1 TRP CH2 1 1 25 14002 1 1 1 TRP CZ2 C 6.398 -3.882 12.828 1.00 . A A . 1 TRP CZ2 1 1 25 14003 1 1 1 TRP CZ3 C 7.588 -2.532 14.436 1.00 . A A . 1 TRP CZ3 1 1 25 14004 1 1 1 TRP H1 H 7.657 1.902 11.145 1.00 . A A . 1 TRP H1 1 1 25 14005 1 1 1 TRP H2 H 7.013 2.199 9.579 1.00 . A A . 1 TRP H2 1 1 25 14006 1 1 1 TRP H3 H 7.047 0.605 10.201 1.00 . A A . 1 TRP H3 1 1 25 14007 1 1 1 TRP HA H 4.868 1.469 10.294 1.00 . A A . 1 TRP HA 1 1 25 14008 1 1 1 TRP HB2 H 6.236 1.254 12.983 1.00 . A A . 1 TRP HB2 1 1 25 14009 1 1 1 TRP HB3 H 4.487 1.271 12.778 1.00 . A A . 1 TRP HB3 1 1 25 14010 1 1 1 TRP HD1 H 4.066 -0.716 10.440 1.00 . A A . 1 TRP HD1 1 1 25 14011 1 1 1 TRP HE1 H 4.586 -3.218 10.730 1.00 . A A . 1 TRP HE1 1 1 25 14012 1 1 1 TRP HE3 H 7.310 -0.413 14.373 1.00 . A A . 1 TRP HE3 1 1 25 14013 1 1 1 TRP HH2 H 7.708 -4.664 14.307 1.00 . A A . 1 TRP HH2 1 1 25 14014 1 1 1 TRP HZ2 H 6.158 -4.849 12.412 1.00 . A A . 1 TRP HZ2 1 1 25 14015 1 1 1 TRP HZ3 H 8.274 -2.492 15.269 1.00 . A A . 1 TRP HZ3 1 1 25 14016 1 1 1 TRP N N 6.943 1.613 10.440 1.00 . A A . 1 TRP N 1 1 25 14017 1 1 1 TRP NE1 N 4.973 -2.513 11.289 1.00 . A A . 1 TRP NE1 1 1 25 14018 1 1 1 TRP O O 5.905 3.834 12.262 1.00 . A A . 1 TRP O 1 1 25 14019 1 1 2 CYS C C 2.959 5.491 11.490 1.00 . A A . 2 CYS C 1 1 25 14020 1 1 2 CYS CA C 4.234 5.331 10.665 1.00 . A A . 2 CYS CA 1 1 25 14021 1 1 2 CYS CB C 4.097 6.027 9.311 1.00 . A A . 2 CYS CB 1 1 25 14022 1 1 2 CYS H H 4.151 3.426 9.736 1.00 . A A . 2 CYS H 1 1 25 14023 1 1 2 CYS HA H 5.056 5.803 11.195 1.00 . A A . 2 CYS HA 1 1 25 14024 1 1 2 CYS HB2 H 3.692 7.019 9.451 1.00 . A A . 2 CYS HB2 1 1 25 14025 1 1 2 CYS HB3 H 5.079 6.114 8.882 1.00 . A A . 2 CYS HB3 1 1 25 14026 1 1 2 CYS N N 4.554 3.925 10.477 1.00 . A A . 2 CYS N 1 1 25 14027 1 1 2 CYS O O 1.882 5.057 11.080 1.00 . A A . 2 CYS O 1 1 25 14028 1 1 2 CYS SG S 3.058 5.128 8.114 1.00 . A A . 2 CYS SG 1 1 25 14029 1 1 3 SER C C 1.007 7.383 12.983 1.00 . A A . 3 SER C 1 1 25 14030 1 1 3 SER CA C 1.942 6.311 13.541 1.00 . A A . 3 SER CA 1 1 25 14031 1 1 3 SER CB C 2.420 6.698 14.940 1.00 . A A . 3 SER CB 1 1 25 14032 1 1 3 SER H H 3.970 6.442 12.938 1.00 . A A . 3 SER H 1 1 25 14033 1 1 3 SER HA H 1.396 5.377 13.609 1.00 . A A . 3 SER HA 1 1 25 14034 1 1 3 SER HB2 H 2.853 7.689 14.917 1.00 . A A . 3 SER HB2 1 1 25 14035 1 1 3 SER HB3 H 1.582 6.685 15.621 1.00 . A A . 3 SER HB3 1 1 25 14036 1 1 3 SER HG H 3.821 6.146 16.195 1.00 . A A . 3 SER HG 1 1 25 14037 1 1 3 SER N N 3.083 6.113 12.657 1.00 . A A . 3 SER N 1 1 25 14038 1 1 3 SER O O -0.185 7.403 13.292 1.00 . A A . 3 SER O 1 1 25 14039 1 1 3 SER OG O 3.403 5.789 15.408 1.00 . A A . 3 SER OG 1 1 25 14040 1 1 4 THR C C 0.072 8.760 10.241 1.00 . A A . 4 THR C 1 1 25 14041 1 1 4 THR CA C 0.758 9.302 11.499 1.00 . A A . 4 THR CA 1 1 25 14042 1 1 4 THR CB C 1.630 10.532 11.136 1.00 . A A . 4 THR CB 1 1 25 14043 1 1 4 THR CG2 C 2.683 10.170 10.095 1.00 . A A . 4 THR CG2 1 1 25 14044 1 1 4 THR H H 2.502 8.195 11.930 1.00 . A A . 4 THR H 1 1 25 14045 1 1 4 THR HA H -0.011 9.625 12.191 1.00 . A A . 4 THR HA 1 1 25 14046 1 1 4 THR HB H 2.143 10.873 12.025 1.00 . A A . 4 THR HB 1 1 25 14047 1 1 4 THR HG1 H 0.387 12.050 11.383 1.00 . A A . 4 THR HG1 1 1 25 14048 1 1 4 THR HG21 H 3.366 10.999 9.982 1.00 . A A . 4 THR HG21 1 1 25 14049 1 1 4 THR HG22 H 2.207 9.975 9.146 1.00 . A A . 4 THR HG22 1 1 25 14050 1 1 4 THR HG23 H 3.236 9.298 10.406 1.00 . A A . 4 THR HG23 1 1 25 14051 1 1 4 THR N N 1.550 8.262 12.147 1.00 . A A . 4 THR N 1 1 25 14052 1 1 4 THR O O -0.281 9.508 9.328 1.00 . A A . 4 THR O 1 1 25 14053 1 1 4 THR OG1 O 0.812 11.606 10.645 1.00 . A A . 4 THR OG1 1 1 25 14054 1 1 5 CYS C C -2.120 6.236 9.553 1.00 . A A . 5 CYS C 1 1 25 14055 1 1 5 CYS CA C -0.797 6.825 9.087 1.00 . A A . 5 CYS CA 1 1 25 14056 1 1 5 CYS CB C 0.100 5.764 8.447 1.00 . A A . 5 CYS CB 1 1 25 14057 1 1 5 CYS H H 0.171 6.882 10.923 1.00 . A A . 5 CYS H 1 1 25 14058 1 1 5 CYS HA H -1.026 7.572 8.335 1.00 . A A . 5 CYS HA 1 1 25 14059 1 1 5 CYS HB2 H 0.401 5.060 9.202 1.00 . A A . 5 CYS HB2 1 1 25 14060 1 1 5 CYS HB3 H -0.449 5.240 7.681 1.00 . A A . 5 CYS HB3 1 1 25 14061 1 1 5 CYS N N -0.113 7.456 10.196 1.00 . A A . 5 CYS N 1 1 25 14062 1 1 5 CYS O O -2.372 5.035 9.434 1.00 . A A . 5 CYS O 1 1 25 14063 1 1 5 CYS SG S 1.598 6.462 7.672 1.00 . A A . 5 CYS SG 1 1 25 14064 1 1 6 LEU C C -5.299 7.507 9.683 1.00 . A A . 6 LEU C 1 1 25 14065 1 1 6 LEU CA C -4.291 6.727 10.522 1.00 . A A . 6 LEU CA 1 1 25 14066 1 1 6 LEU CB C -4.498 7.012 12.014 1.00 . A A . 6 LEU CB 1 1 25 14067 1 1 6 LEU CD1 C -5.972 5.042 12.514 1.00 . A A . 6 LEU CD1 1 1 25 14068 1 1 6 LEU CD2 C -5.992 7.038 14.021 1.00 . A A . 6 LEU CD2 1 1 25 14069 1 1 6 LEU CG C -5.839 6.557 12.588 1.00 . A A . 6 LEU CG 1 1 25 14070 1 1 6 LEU H H -2.664 8.034 10.220 1.00 . A A . 6 LEU H 1 1 25 14071 1 1 6 LEU HA H -4.442 5.672 10.340 1.00 . A A . 6 LEU HA 1 1 25 14072 1 1 6 LEU HB2 H -3.704 6.521 12.562 1.00 . A A . 6 LEU HB2 1 1 25 14073 1 1 6 LEU HB3 H -4.403 8.080 12.168 1.00 . A A . 6 LEU HB3 1 1 25 14074 1 1 6 LEU HD11 H -5.950 4.725 11.483 1.00 . A A . 6 LEU HD11 1 1 25 14075 1 1 6 LEU HD12 H -6.911 4.737 12.956 1.00 . A A . 6 LEU HD12 1 1 25 14076 1 1 6 LEU HD13 H -5.157 4.577 13.051 1.00 . A A . 6 LEU HD13 1 1 25 14077 1 1 6 LEU HD21 H -5.211 6.612 14.636 1.00 . A A . 6 LEU HD21 1 1 25 14078 1 1 6 LEU HD22 H -6.956 6.734 14.405 1.00 . A A . 6 LEU HD22 1 1 25 14079 1 1 6 LEU HD23 H -5.923 8.117 14.051 1.00 . A A . 6 LEU HD23 1 1 25 14080 1 1 6 LEU HG H -6.640 6.989 12.006 1.00 . A A . 6 LEU HG 1 1 25 14081 1 1 6 LEU N N -2.947 7.098 10.120 1.00 . A A . 6 LEU N 1 1 25 14082 1 1 6 LEU O O -6.344 6.986 9.286 1.00 . A A . 6 LEU O 1 1 25 14083 1 1 7 ASP C C -5.404 9.462 7.093 1.00 . A A . 7 ASP C 1 1 25 14084 1 1 7 ASP CA C -5.782 9.618 8.559 1.00 . A A . 7 ASP CA 1 1 25 14085 1 1 7 ASP CB C -5.621 11.084 8.968 1.00 . A A . 7 ASP CB 1 1 25 14086 1 1 7 ASP CG C -6.471 11.463 10.159 1.00 . A A . 7 ASP CG 1 1 25 14087 1 1 7 ASP H H -4.113 9.124 9.734 1.00 . A A . 7 ASP H 1 1 25 14088 1 1 7 ASP HA H -6.822 9.330 8.674 1.00 . A A . 7 ASP HA 1 1 25 14089 1 1 7 ASP HB2 H -4.589 11.274 9.219 1.00 . A A . 7 ASP HB2 1 1 25 14090 1 1 7 ASP HB3 H -5.908 11.734 8.150 1.00 . A A . 7 ASP HB3 1 1 25 14091 1 1 7 ASP N N -4.959 8.758 9.401 1.00 . A A . 7 ASP N 1 1 25 14092 1 1 7 ASP O O -5.064 10.434 6.420 1.00 . A A . 7 ASP O 1 1 25 14093 1 1 7 ASP OD1 O -7.632 11.875 9.949 1.00 . A A . 7 ASP OD1 1 1 25 14094 1 1 7 ASP OD2 O -5.981 11.371 11.302 1.00 . A A . 7 ASP OD2 1 1 25 14095 1 1 8 LEU C C -6.317 7.478 4.415 1.00 . A A . 8 LEU C 1 1 25 14096 1 1 8 LEU CA C -5.117 7.974 5.204 1.00 . A A . 8 LEU CA 1 1 25 14097 1 1 8 LEU CB C -3.943 6.980 5.118 1.00 . A A . 8 LEU CB 1 1 25 14098 1 1 8 LEU CD1 C -5.158 4.823 5.664 1.00 . A A . 8 LEU CD1 1 1 25 14099 1 1 8 LEU CD2 C -2.697 5.007 6.024 1.00 . A A . 8 LEU CD2 1 1 25 14100 1 1 8 LEU CG C -4.017 5.756 6.045 1.00 . A A . 8 LEU CG 1 1 25 14101 1 1 8 LEU H H -5.765 7.494 7.152 1.00 . A A . 8 LEU H 1 1 25 14102 1 1 8 LEU HA H -4.794 8.897 4.746 1.00 . A A . 8 LEU HA 1 1 25 14103 1 1 8 LEU HB2 H -3.839 6.647 4.107 1.00 . A A . 8 LEU HB2 1 1 25 14104 1 1 8 LEU HB3 H -3.048 7.533 5.373 1.00 . A A . 8 LEU HB3 1 1 25 14105 1 1 8 LEU HD11 H -5.130 4.615 4.607 1.00 . A A . 8 LEU HD11 1 1 25 14106 1 1 8 LEU HD12 H -6.099 5.285 5.915 1.00 . A A . 8 LEU HD12 1 1 25 14107 1 1 8 LEU HD13 H -5.071 3.893 6.212 1.00 . A A . 8 LEU HD13 1 1 25 14108 1 1 8 LEU HD21 H -2.718 4.213 6.757 1.00 . A A . 8 LEU HD21 1 1 25 14109 1 1 8 LEU HD22 H -1.893 5.688 6.259 1.00 . A A . 8 LEU HD22 1 1 25 14110 1 1 8 LEU HD23 H -2.531 4.586 5.042 1.00 . A A . 8 LEU HD23 1 1 25 14111 1 1 8 LEU HG H -4.184 6.086 7.058 1.00 . A A . 8 LEU HG 1 1 25 14112 1 1 8 LEU N N -5.470 8.239 6.593 1.00 . A A . 8 LEU N 1 1 25 14113 1 1 8 LEU O O -6.166 6.898 3.336 1.00 . A A . 8 LEU O 1 1 25 14114 1 1 9 ALA C C -8.921 7.713 2.928 1.00 . A A . 9 ALA C 1 1 25 14115 1 1 9 ALA CA C -8.765 7.288 4.387 1.00 . A A . 9 ALA CA 1 1 25 14116 1 1 9 ALA CB C -9.919 7.813 5.223 1.00 . A A . 9 ALA CB 1 1 25 14117 1 1 9 ALA H H -7.536 8.256 5.799 1.00 . A A . 9 ALA H 1 1 25 14118 1 1 9 ALA HA H -8.769 6.224 4.454 1.00 . A A . 9 ALA HA 1 1 25 14119 1 1 9 ALA HB1 H -9.965 8.891 5.150 1.00 . A A . 9 ALA HB1 1 1 25 14120 1 1 9 ALA HB2 H -9.773 7.529 6.255 1.00 . A A . 9 ALA HB2 1 1 25 14121 1 1 9 ALA HB3 H -10.830 7.390 4.865 1.00 . A A . 9 ALA HB3 1 1 25 14122 1 1 9 ALA N N -7.498 7.756 4.953 1.00 . A A . 9 ALA N 1 1 25 14123 1 1 9 ALA O O -9.557 8.724 2.628 1.00 . A A . 9 ALA O 1 1 25 14124 1 1 10 CYS C C -7.636 8.640 0.463 1.00 . A A . 10 CYS C 1 1 25 14125 1 1 10 CYS CA C -8.244 7.261 0.622 1.00 . A A . 10 CYS CA 1 1 25 14126 1 1 10 CYS CB C -9.597 7.162 -0.086 1.00 . A A . 10 CYS CB 1 1 25 14127 1 1 10 CYS H H -7.841 6.128 2.345 1.00 . A A . 10 CYS H 1 1 25 14128 1 1 10 CYS HA H -7.551 6.577 0.197 1.00 . A A . 10 CYS HA 1 1 25 14129 1 1 10 CYS HB2 H -10.393 7.280 0.634 1.00 . A A . 10 CYS HB2 1 1 25 14130 1 1 10 CYS HB3 H -9.692 7.931 -0.841 1.00 . A A . 10 CYS HB3 1 1 25 14131 1 1 10 CYS N N -8.331 6.923 2.034 1.00 . A A . 10 CYS N 1 1 25 14132 1 1 10 CYS O O -8.234 9.547 -0.113 1.00 . A A . 10 CYS O 1 1 25 14133 1 1 10 CYS SG S -9.854 5.563 -0.930 1.00 . A A . 10 CYS SG 1 1 25 14134 1 1 11 THR C C -5.055 10.166 -0.497 1.00 . A A . 11 THR C 1 1 25 14135 1 1 11 THR CA C -5.681 10.022 0.898 1.00 . A A . 11 THR CA 1 1 25 14136 1 1 11 THR CB C -4.586 10.060 1.994 1.00 . A A . 11 THR CB 1 1 25 14137 1 1 11 THR CG2 C -3.614 8.893 1.837 1.00 . A A . 11 THR CG2 1 1 25 14138 1 1 11 THR H H -6.020 8.002 1.434 1.00 . A A . 11 THR H 1 1 25 14139 1 1 11 THR HA H -6.363 10.848 1.061 1.00 . A A . 11 THR HA 1 1 25 14140 1 1 11 THR HB H -5.061 9.970 2.957 1.00 . A A . 11 THR HB 1 1 25 14141 1 1 11 THR HG1 H -3.412 11.424 1.128 1.00 . A A . 11 THR HG1 1 1 25 14142 1 1 11 THR HG21 H -3.317 8.767 0.813 1.00 . A A . 11 THR HG21 1 1 25 14143 1 1 11 THR HG22 H -4.088 7.988 2.179 1.00 . A A . 11 THR HG22 1 1 25 14144 1 1 11 THR HG23 H -2.743 9.073 2.443 1.00 . A A . 11 THR HG23 1 1 25 14145 1 1 11 THR N N -6.427 8.779 0.990 1.00 . A A . 11 THR N 1 1 25 14146 1 1 11 THR O O -4.316 11.111 -0.779 1.00 . A A . 11 THR O 1 1 25 14147 1 1 11 THR OG1 O -3.869 11.302 1.965 1.00 . A A . 11 THR OG1 1 1 25 14148 1 1 12 GLY C C -3.819 8.133 -2.859 1.00 . A A . 12 GLY C 1 1 25 14149 1 1 12 GLY CA C -4.856 9.218 -2.718 1.00 . A A . 12 GLY CA 1 1 25 14150 1 1 12 GLY H H -6.002 8.515 -1.142 1.00 . A A . 12 GLY H 1 1 25 14151 1 1 12 GLY HA2 H -5.664 9.032 -3.413 1.00 . A A . 12 GLY HA2 1 1 25 14152 1 1 12 GLY HA3 H -4.403 10.171 -2.962 1.00 . A A . 12 GLY HA3 1 1 25 14153 1 1 12 GLY N N -5.402 9.235 -1.379 1.00 . A A . 12 GLY N 1 1 25 14154 1 1 12 GLY O O -3.005 7.947 -1.962 1.00 . A A . 12 GLY O 1 1 25 14155 1 1 13 SER C C -1.466 6.810 -4.083 1.00 . A A . 13 SER C 1 1 25 14156 1 1 13 SER CA C -2.910 6.321 -4.191 1.00 . A A . 13 SER CA 1 1 25 14157 1 1 13 SER CB C -3.167 5.683 -5.557 1.00 . A A . 13 SER CB 1 1 25 14158 1 1 13 SER H H -4.540 7.596 -4.646 1.00 . A A . 13 SER H 1 1 25 14159 1 1 13 SER HA H -3.076 5.574 -3.426 1.00 . A A . 13 SER HA 1 1 25 14160 1 1 13 SER HB2 H -2.319 5.081 -5.856 1.00 . A A . 13 SER HB2 1 1 25 14161 1 1 13 SER HB3 H -4.043 5.054 -5.493 1.00 . A A . 13 SER HB3 1 1 25 14162 1 1 13 SER HG H -3.373 6.270 -7.413 1.00 . A A . 13 SER HG 1 1 25 14163 1 1 13 SER N N -3.851 7.406 -3.964 1.00 . A A . 13 SER N 1 1 25 14164 1 1 13 SER O O -0.644 6.198 -3.390 1.00 . A A . 13 SER O 1 1 25 14165 1 1 13 SER OG O -3.396 6.673 -6.542 1.00 . A A . 13 SER OG 1 1 25 14166 1 1 14 LYS C C 0.595 8.906 -3.311 1.00 . A A . 14 LYS C 1 1 25 14167 1 1 14 LYS CA C 0.176 8.492 -4.722 1.00 . A A . 14 LYS CA 1 1 25 14168 1 1 14 LYS CB C 0.289 9.685 -5.678 1.00 . A A . 14 LYS CB 1 1 25 14169 1 1 14 LYS CD C -0.236 12.101 -6.162 1.00 . A A . 14 LYS CD 1 1 25 14170 1 1 14 LYS CE C -0.902 11.867 -7.510 1.00 . A A . 14 LYS CE 1 1 25 14171 1 1 14 LYS CG C -0.452 10.933 -5.213 1.00 . A A . 14 LYS CG 1 1 25 14172 1 1 14 LYS H H -1.883 8.409 -5.230 1.00 . A A . 14 LYS H 1 1 25 14173 1 1 14 LYS HA H 0.839 7.731 -5.062 1.00 . A A . 14 LYS HA 1 1 25 14174 1 1 14 LYS HB2 H 1.336 9.932 -5.795 1.00 . A A . 14 LYS HB2 1 1 25 14175 1 1 14 LYS HB3 H -0.108 9.385 -6.634 1.00 . A A . 14 LYS HB3 1 1 25 14176 1 1 14 LYS HD2 H -0.659 12.990 -5.718 1.00 . A A . 14 LYS HD2 1 1 25 14177 1 1 14 LYS HD3 H 0.825 12.248 -6.314 1.00 . A A . 14 LYS HD3 1 1 25 14178 1 1 14 LYS HE2 H -0.595 12.657 -8.179 1.00 . A A . 14 LYS HE2 1 1 25 14179 1 1 14 LYS HE3 H -0.588 10.921 -7.920 1.00 . A A . 14 LYS HE3 1 1 25 14180 1 1 14 LYS HG2 H -1.506 10.714 -5.145 1.00 . A A . 14 LYS HG2 1 1 25 14181 1 1 14 LYS HG3 H -0.087 11.221 -4.239 1.00 . A A . 14 LYS HG3 1 1 25 14182 1 1 14 LYS HZ1 H -2.806 11.834 -8.357 1.00 . A A . 14 LYS HZ1 1 1 25 14183 1 1 14 LYS HZ2 H -2.709 12.769 -6.953 1.00 . A A . 14 LYS HZ2 1 1 25 14184 1 1 14 LYS HZ3 H -2.721 11.080 -6.849 1.00 . A A . 14 LYS HZ3 1 1 25 14185 1 1 14 LYS N N -1.176 7.942 -4.724 1.00 . A A . 14 LYS N 1 1 25 14186 1 1 14 LYS NZ N -2.386 11.889 -7.407 1.00 . A A . 14 LYS NZ 1 1 25 14187 1 1 14 LYS O O 1.784 9.015 -3.018 1.00 . A A . 14 LYS O 1 1 25 14188 1 1 15 ASP C C 0.023 8.210 -0.226 1.00 . A A . 15 ASP C 1 1 25 14189 1 1 15 ASP CA C -0.105 9.476 -1.056 1.00 . A A . 15 ASP CA 1 1 25 14190 1 1 15 ASP CB C -1.200 10.371 -0.468 1.00 . A A . 15 ASP CB 1 1 25 14191 1 1 15 ASP CG C -0.742 11.093 0.790 1.00 . A A . 15 ASP CG 1 1 25 14192 1 1 15 ASP H H -1.319 9.038 -2.713 1.00 . A A . 15 ASP H 1 1 25 14193 1 1 15 ASP HA H 0.841 10.009 -1.019 1.00 . A A . 15 ASP HA 1 1 25 14194 1 1 15 ASP HB2 H -1.466 11.119 -1.201 1.00 . A A . 15 ASP HB2 1 1 25 14195 1 1 15 ASP HB3 H -2.070 9.788 -0.240 1.00 . A A . 15 ASP HB3 1 1 25 14196 1 1 15 ASP N N -0.387 9.127 -2.442 1.00 . A A . 15 ASP N 1 1 25 14197 1 1 15 ASP O O 0.899 8.107 0.622 1.00 . A A . 15 ASP O 1 1 25 14198 1 1 15 ASP OD1 O 0.124 11.988 0.689 1.00 . A A . 15 ASP OD1 1 1 25 14199 1 1 15 ASP OD2 O -1.244 10.775 1.886 1.00 . A A . 15 ASP OD2 1 1 25 14200 1 1 16 CYS C C 0.478 5.229 0.008 1.00 . A A . 16 CYS C 1 1 25 14201 1 1 16 CYS CA C -0.848 5.952 0.199 1.00 . A A . 16 CYS CA 1 1 25 14202 1 1 16 CYS CB C -1.985 5.052 -0.297 1.00 . A A . 16 CYS CB 1 1 25 14203 1 1 16 CYS H H -1.521 7.381 -1.207 1.00 . A A . 16 CYS H 1 1 25 14204 1 1 16 CYS HA H -0.990 6.145 1.253 1.00 . A A . 16 CYS HA 1 1 25 14205 1 1 16 CYS HB2 H -1.897 4.958 -1.371 1.00 . A A . 16 CYS HB2 1 1 25 14206 1 1 16 CYS HB3 H -1.885 4.082 0.135 1.00 . A A . 16 CYS HB3 1 1 25 14207 1 1 16 CYS N N -0.851 7.238 -0.502 1.00 . A A . 16 CYS N 1 1 25 14208 1 1 16 CYS O O 0.871 4.410 0.844 1.00 . A A . 16 CYS O 1 1 25 14209 1 1 16 CYS SG S -3.667 5.676 0.040 1.00 . A A . 16 CYS SG 1 1 25 14210 1 1 17 TYR C C 3.439 5.206 -0.225 1.00 . A A . 17 TYR C 1 1 25 14211 1 1 17 TYR CA C 2.468 4.951 -1.378 1.00 . A A . 17 TYR CA 1 1 25 14212 1 1 17 TYR CB C 3.042 5.527 -2.676 1.00 . A A . 17 TYR CB 1 1 25 14213 1 1 17 TYR CD1 C 1.544 3.930 -3.940 1.00 . A A . 17 TYR CD1 1 1 25 14214 1 1 17 TYR CD2 C 2.385 5.837 -5.093 1.00 . A A . 17 TYR CD2 1 1 25 14215 1 1 17 TYR CE1 C 0.884 3.525 -5.081 1.00 . A A . 17 TYR CE1 1 1 25 14216 1 1 17 TYR CE2 C 1.724 5.437 -6.239 1.00 . A A . 17 TYR CE2 1 1 25 14217 1 1 17 TYR CG C 2.306 5.092 -3.924 1.00 . A A . 17 TYR CG 1 1 25 14218 1 1 17 TYR CZ C 0.976 4.279 -6.225 1.00 . A A . 17 TYR CZ 1 1 25 14219 1 1 17 TYR H H 0.776 6.154 -1.753 1.00 . A A . 17 TYR H 1 1 25 14220 1 1 17 TYR HA H 2.363 3.885 -1.470 1.00 . A A . 17 TYR HA 1 1 25 14221 1 1 17 TYR HB2 H 3.005 6.606 -2.622 1.00 . A A . 17 TYR HB2 1 1 25 14222 1 1 17 TYR HB3 H 4.075 5.216 -2.783 1.00 . A A . 17 TYR HB3 1 1 25 14223 1 1 17 TYR HD1 H 1.461 3.328 -3.056 1.00 . A A . 17 TYR HD1 1 1 25 14224 1 1 17 TYR HD2 H 2.972 6.745 -5.104 1.00 . A A . 17 TYR HD2 1 1 25 14225 1 1 17 TYR HE1 H 0.309 2.628 -5.089 1.00 . A A . 17 TYR HE1 1 1 25 14226 1 1 17 TYR HE2 H 1.796 6.030 -7.139 1.00 . A A . 17 TYR HE2 1 1 25 14227 1 1 17 TYR HH H -0.554 4.262 -7.389 1.00 . A A . 17 TYR HH 1 1 25 14228 1 1 17 TYR N N 1.150 5.517 -1.105 1.00 . A A . 17 TYR N 1 1 25 14229 1 1 17 TYR O O 4.250 4.343 0.109 1.00 . A A . 17 TYR O 1 1 25 14230 1 1 17 TYR OH O 0.321 3.868 -7.363 1.00 . A A . 17 TYR OH 1 1 25 14231 1 1 18 ALA C C 4.051 5.888 2.722 1.00 . A A . 18 ALA C 1 1 25 14232 1 1 18 ALA CA C 4.254 6.751 1.465 1.00 . A A . 18 ALA CA 1 1 25 14233 1 1 18 ALA CB C 4.140 8.237 1.776 1.00 . A A . 18 ALA CB 1 1 25 14234 1 1 18 ALA H H 2.659 7.026 0.097 1.00 . A A . 18 ALA H 1 1 25 14235 1 1 18 ALA HA H 5.263 6.580 1.104 1.00 . A A . 18 ALA HA 1 1 25 14236 1 1 18 ALA HB1 H 4.896 8.770 1.218 1.00 . A A . 18 ALA HB1 1 1 25 14237 1 1 18 ALA HB2 H 4.291 8.418 2.833 1.00 . A A . 18 ALA HB2 1 1 25 14238 1 1 18 ALA HB3 H 3.168 8.607 1.488 1.00 . A A . 18 ALA HB3 1 1 25 14239 1 1 18 ALA N N 3.338 6.376 0.394 1.00 . A A . 18 ALA N 1 1 25 14240 1 1 18 ALA O O 4.997 5.238 3.168 1.00 . A A . 18 ALA O 1 1 25 14241 1 1 19 PRO C C 2.869 3.522 4.172 1.00 . A A . 19 PRO C 1 1 25 14242 1 1 19 PRO CA C 2.545 4.980 4.466 1.00 . A A . 19 PRO CA 1 1 25 14243 1 1 19 PRO CB C 1.038 5.143 4.677 1.00 . A A . 19 PRO CB 1 1 25 14244 1 1 19 PRO CD C 1.657 6.676 2.970 1.00 . A A . 19 PRO CD 1 1 25 14245 1 1 19 PRO CG C 0.727 6.487 4.132 1.00 . A A . 19 PRO CG 1 1 25 14246 1 1 19 PRO HA H 3.076 5.299 5.337 1.00 . A A . 19 PRO HA 1 1 25 14247 1 1 19 PRO HB2 H 0.502 4.381 4.121 1.00 . A A . 19 PRO HB2 1 1 25 14248 1 1 19 PRO HB3 H 0.787 5.056 5.707 1.00 . A A . 19 PRO HB3 1 1 25 14249 1 1 19 PRO HD2 H 1.201 6.332 2.082 1.00 . A A . 19 PRO HD2 1 1 25 14250 1 1 19 PRO HD3 H 1.913 7.712 2.889 1.00 . A A . 19 PRO HD3 1 1 25 14251 1 1 19 PRO HG2 H -0.301 6.522 3.801 1.00 . A A . 19 PRO HG2 1 1 25 14252 1 1 19 PRO HG3 H 0.907 7.241 4.883 1.00 . A A . 19 PRO HG3 1 1 25 14253 1 1 19 PRO N N 2.832 5.856 3.323 1.00 . A A . 19 PRO N 1 1 25 14254 1 1 19 PRO O O 3.477 2.832 4.992 1.00 . A A . 19 PRO O 1 1 25 14255 1 1 20 CYS C C 4.195 1.375 2.593 1.00 . A A . 20 CYS C 1 1 25 14256 1 1 20 CYS CA C 2.704 1.682 2.587 1.00 . A A . 20 CYS CA 1 1 25 14257 1 1 20 CYS CB C 2.117 1.421 1.200 1.00 . A A . 20 CYS CB 1 1 25 14258 1 1 20 CYS H H 1.995 3.667 2.369 1.00 . A A . 20 CYS H 1 1 25 14259 1 1 20 CYS HA H 2.212 1.038 3.305 1.00 . A A . 20 CYS HA 1 1 25 14260 1 1 20 CYS HB2 H 1.081 1.725 1.197 1.00 . A A . 20 CYS HB2 1 1 25 14261 1 1 20 CYS HB3 H 2.657 2.003 0.464 1.00 . A A . 20 CYS HB3 1 1 25 14262 1 1 20 CYS N N 2.471 3.063 2.988 1.00 . A A . 20 CYS N 1 1 25 14263 1 1 20 CYS O O 4.626 0.341 3.103 1.00 . A A . 20 CYS O 1 1 25 14264 1 1 20 CYS SG S 2.181 -0.323 0.687 1.00 . A A . 20 CYS SG 1 1 25 14265 1 1 21 ARG C C 7.006 2.166 3.422 1.00 . A A . 21 ARG C 1 1 25 14266 1 1 21 ARG CA C 6.428 2.151 2.006 1.00 . A A . 21 ARG CA 1 1 25 14267 1 1 21 ARG CB C 7.034 3.278 1.162 1.00 . A A . 21 ARG CB 1 1 25 14268 1 1 21 ARG CD C 9.015 4.233 -0.035 1.00 . A A . 21 ARG CD 1 1 25 14269 1 1 21 ARG CG C 8.530 3.159 0.925 1.00 . A A . 21 ARG CG 1 1 25 14270 1 1 21 ARG CZ C 11.077 4.697 -1.311 1.00 . A A . 21 ARG CZ 1 1 25 14271 1 1 21 ARG H H 4.576 3.115 1.669 1.00 . A A . 21 ARG H 1 1 25 14272 1 1 21 ARG HA H 6.662 1.201 1.542 1.00 . A A . 21 ARG HA 1 1 25 14273 1 1 21 ARG HB2 H 6.539 3.288 0.205 1.00 . A A . 21 ARG HB2 1 1 25 14274 1 1 21 ARG HB3 H 6.844 4.222 1.656 1.00 . A A . 21 ARG HB3 1 1 25 14275 1 1 21 ARG HD2 H 8.506 4.108 -0.970 1.00 . A A . 21 ARG HD2 1 1 25 14276 1 1 21 ARG HD3 H 8.771 5.204 0.376 1.00 . A A . 21 ARG HD3 1 1 25 14277 1 1 21 ARG HE H 11.003 3.715 0.427 1.00 . A A . 21 ARG HE 1 1 25 14278 1 1 21 ARG HG2 H 9.046 3.270 1.867 1.00 . A A . 21 ARG HG2 1 1 25 14279 1 1 21 ARG HG3 H 8.745 2.187 0.504 1.00 . A A . 21 ARG HG3 1 1 25 14280 1 1 21 ARG HH11 H 9.398 5.429 -2.199 1.00 . A A . 21 ARG HH11 1 1 25 14281 1 1 21 ARG HH12 H 10.871 5.717 -3.043 1.00 . A A . 21 ARG HH12 1 1 25 14282 1 1 21 ARG HH21 H 12.924 4.130 -0.711 1.00 . A A . 21 ARG HH21 1 1 25 14283 1 1 21 ARG HH22 H 12.864 4.993 -2.212 1.00 . A A . 21 ARG HH22 1 1 25 14284 1 1 21 ARG N N 4.981 2.297 2.046 1.00 . A A . 21 ARG N 1 1 25 14285 1 1 21 ARG NE N 10.457 4.170 -0.256 1.00 . A A . 21 ARG NE 1 1 25 14286 1 1 21 ARG NH1 N 10.388 5.329 -2.254 1.00 . A A . 21 ARG NH1 1 1 25 14287 1 1 21 ARG NH2 N 12.393 4.599 -1.420 1.00 . A A . 21 ARG NH2 1 1 25 14288 1 1 21 ARG O O 7.859 1.350 3.761 1.00 . A A . 21 ARG O 1 1 25 14289 1 1 22 LYS C C 6.590 2.040 6.501 1.00 . A A . 22 LYS C 1 1 25 14290 1 1 22 LYS CA C 6.968 3.230 5.620 1.00 . A A . 22 LYS CA 1 1 25 14291 1 1 22 LYS CB C 6.387 4.512 6.207 1.00 . A A . 22 LYS CB 1 1 25 14292 1 1 22 LYS CD C 6.500 7.018 6.369 1.00 . A A . 22 LYS CD 1 1 25 14293 1 1 22 LYS CE C 7.435 8.218 6.336 1.00 . A A . 22 LYS CE 1 1 25 14294 1 1 22 LYS CG C 7.192 5.757 5.879 1.00 . A A . 22 LYS CG 1 1 25 14295 1 1 22 LYS H H 5.799 3.686 3.919 1.00 . A A . 22 LYS H 1 1 25 14296 1 1 22 LYS HA H 8.049 3.308 5.603 1.00 . A A . 22 LYS HA 1 1 25 14297 1 1 22 LYS HB2 H 5.379 4.646 5.835 1.00 . A A . 22 LYS HB2 1 1 25 14298 1 1 22 LYS HB3 H 6.345 4.427 7.288 1.00 . A A . 22 LYS HB3 1 1 25 14299 1 1 22 LYS HD2 H 5.650 7.221 5.737 1.00 . A A . 22 LYS HD2 1 1 25 14300 1 1 22 LYS HD3 H 6.169 6.874 7.383 1.00 . A A . 22 LYS HD3 1 1 25 14301 1 1 22 LYS HE2 H 6.877 9.099 6.616 1.00 . A A . 22 LYS HE2 1 1 25 14302 1 1 22 LYS HE3 H 8.230 8.056 7.050 1.00 . A A . 22 LYS HE3 1 1 25 14303 1 1 22 LYS HG2 H 8.161 5.673 6.352 1.00 . A A . 22 LYS HG2 1 1 25 14304 1 1 22 LYS HG3 H 7.319 5.822 4.807 1.00 . A A . 22 LYS HG3 1 1 25 14305 1 1 22 LYS HZ1 H 7.292 8.421 4.256 1.00 . A A . 22 LYS HZ1 1 1 25 14306 1 1 22 LYS HZ2 H 8.729 7.695 4.782 1.00 . A A . 22 LYS HZ2 1 1 25 14307 1 1 22 LYS HZ3 H 8.508 9.358 4.965 1.00 . A A . 22 LYS HZ3 1 1 25 14308 1 1 22 LYS N N 6.502 3.077 4.249 1.00 . A A . 22 LYS N 1 1 25 14309 1 1 22 LYS NZ N 8.030 8.435 4.993 1.00 . A A . 22 LYS NZ 1 1 25 14310 1 1 22 LYS O O 7.199 1.814 7.550 1.00 . A A . 22 LYS O 1 1 25 14311 1 1 23 GLN C C 5.705 -1.163 6.312 1.00 . A A . 23 GLN C 1 1 25 14312 1 1 23 GLN CA C 5.132 0.143 6.865 1.00 . A A . 23 GLN CA 1 1 25 14313 1 1 23 GLN CB C 3.605 0.079 6.899 1.00 . A A . 23 GLN CB 1 1 25 14314 1 1 23 GLN CD C 1.578 -1.115 7.824 1.00 . A A . 23 GLN CD 1 1 25 14315 1 1 23 GLN CG C 3.063 -1.188 7.540 1.00 . A A . 23 GLN CG 1 1 25 14316 1 1 23 GLN H H 5.086 1.524 5.271 1.00 . A A . 23 GLN H 1 1 25 14317 1 1 23 GLN HA H 5.477 0.249 7.887 1.00 . A A . 23 GLN HA 1 1 25 14318 1 1 23 GLN HB2 H 3.239 0.933 7.454 1.00 . A A . 23 GLN HB2 1 1 25 14319 1 1 23 GLN HB3 H 3.232 0.134 5.887 1.00 . A A . 23 GLN HB3 1 1 25 14320 1 1 23 GLN HE21 H 1.379 -3.063 7.434 1.00 . A A . 23 GLN HE21 1 1 25 14321 1 1 23 GLN HE22 H -0.061 -2.220 7.878 1.00 . A A . 23 GLN HE22 1 1 25 14322 1 1 23 GLN HG2 H 3.241 -2.017 6.870 1.00 . A A . 23 GLN HG2 1 1 25 14323 1 1 23 GLN HG3 H 3.581 -1.364 8.470 1.00 . A A . 23 GLN HG3 1 1 25 14324 1 1 23 GLN N N 5.568 1.301 6.099 1.00 . A A . 23 GLN N 1 1 25 14325 1 1 23 GLN NE2 N 0.902 -2.244 7.699 1.00 . A A . 23 GLN NE2 1 1 25 14326 1 1 23 GLN O O 6.308 -1.943 7.052 1.00 . A A . 23 GLN O 1 1 25 14327 1 1 23 GLN OE1 O 1.041 -0.050 8.135 1.00 . A A . 23 GLN OE1 1 1 25 14328 1 1 24 THR C C 7.351 -2.622 3.894 1.00 . A A . 24 THR C 1 1 25 14329 1 1 24 THR CA C 5.924 -2.673 4.428 1.00 . A A . 24 THR CA 1 1 25 14330 1 1 24 THR CB C 4.980 -3.085 3.277 1.00 . A A . 24 THR CB 1 1 25 14331 1 1 24 THR CG2 C 3.536 -3.157 3.756 1.00 . A A . 24 THR CG2 1 1 25 14332 1 1 24 THR H H 5.042 -0.748 4.468 1.00 . A A . 24 THR H 1 1 25 14333 1 1 24 THR HA H 5.877 -3.443 5.190 1.00 . A A . 24 THR HA 1 1 25 14334 1 1 24 THR HB H 5.258 -4.056 2.928 1.00 . A A . 24 THR HB 1 1 25 14335 1 1 24 THR HG1 H 4.770 -2.558 1.382 1.00 . A A . 24 THR HG1 1 1 25 14336 1 1 24 THR HG21 H 3.221 -2.185 4.106 1.00 . A A . 24 THR HG21 1 1 25 14337 1 1 24 THR HG22 H 3.456 -3.874 4.561 1.00 . A A . 24 THR HG22 1 1 25 14338 1 1 24 THR HG23 H 2.902 -3.465 2.938 1.00 . A A . 24 THR HG23 1 1 25 14339 1 1 24 THR N N 5.525 -1.404 5.021 1.00 . A A . 24 THR N 1 1 25 14340 1 1 24 THR O O 8.069 -3.621 3.916 1.00 . A A . 24 THR O 1 1 25 14341 1 1 24 THR OG1 O 5.078 -2.148 2.194 1.00 . A A . 24 THR OG1 1 1 25 14342 1 1 25 GLY C C 8.837 -1.256 1.246 1.00 . A A . 25 GLY C 1 1 25 14343 1 1 25 GLY CA C 9.031 -1.329 2.748 1.00 . A A . 25 GLY CA 1 1 25 14344 1 1 25 GLY H H 7.168 -0.668 3.454 1.00 . A A . 25 GLY H 1 1 25 14345 1 1 25 GLY HA2 H 9.516 -0.421 3.076 1.00 . A A . 25 GLY HA2 1 1 25 14346 1 1 25 GLY HA3 H 9.678 -2.167 2.978 1.00 . A A . 25 GLY HA3 1 1 25 14347 1 1 25 GLY N N 7.766 -1.446 3.439 1.00 . A A . 25 GLY N 1 1 25 14348 1 1 25 GLY O O 9.775 -0.979 0.499 1.00 . A A . 25 GLY O 1 1 25 14349 1 1 26 CYS C C 6.253 -0.317 -0.837 1.00 . A A . 26 CYS C 1 1 25 14350 1 1 26 CYS CA C 7.258 -1.444 -0.601 1.00 . A A . 26 CYS CA 1 1 25 14351 1 1 26 CYS CB C 6.691 -2.789 -1.069 1.00 . A A . 26 CYS CB 1 1 25 14352 1 1 26 CYS H H 6.892 -1.729 1.437 1.00 . A A . 26 CYS H 1 1 25 14353 1 1 26 CYS HA H 8.159 -1.252 -1.159 1.00 . A A . 26 CYS HA 1 1 25 14354 1 1 26 CYS HB2 H 5.864 -3.060 -0.444 1.00 . A A . 26 CYS HB2 1 1 25 14355 1 1 26 CYS HB3 H 6.343 -2.688 -2.087 1.00 . A A . 26 CYS HB3 1 1 25 14356 1 1 26 CYS N N 7.609 -1.511 0.809 1.00 . A A . 26 CYS N 1 1 25 14357 1 1 26 CYS O O 5.251 -0.211 -0.136 1.00 . A A . 26 CYS O 1 1 25 14358 1 1 26 CYS SG S 7.909 -4.154 -1.052 1.00 . A A . 26 CYS SG 1 1 25 14359 1 1 27 PRO C C 4.559 1.567 -3.022 1.00 . A A . 27 PRO C 1 1 25 14360 1 1 27 PRO CA C 5.744 1.763 -2.074 1.00 . A A . 27 PRO CA 1 1 25 14361 1 1 27 PRO CB C 6.784 2.654 -2.733 1.00 . A A . 27 PRO CB 1 1 25 14362 1 1 27 PRO CD C 7.638 0.421 -2.789 1.00 . A A . 27 PRO CD 1 1 25 14363 1 1 27 PRO CG C 7.563 1.704 -3.577 1.00 . A A . 27 PRO CG 1 1 25 14364 1 1 27 PRO HA H 5.400 2.222 -1.161 1.00 . A A . 27 PRO HA 1 1 25 14365 1 1 27 PRO HB2 H 6.321 3.437 -3.321 1.00 . A A . 27 PRO HB2 1 1 25 14366 1 1 27 PRO HB3 H 7.401 3.089 -1.979 1.00 . A A . 27 PRO HB3 1 1 25 14367 1 1 27 PRO HD2 H 7.497 -0.432 -3.438 1.00 . A A . 27 PRO HD2 1 1 25 14368 1 1 27 PRO HD3 H 8.587 0.360 -2.279 1.00 . A A . 27 PRO HD3 1 1 25 14369 1 1 27 PRO HG2 H 7.052 1.540 -4.515 1.00 . A A . 27 PRO HG2 1 1 25 14370 1 1 27 PRO HG3 H 8.554 2.095 -3.752 1.00 . A A . 27 PRO HG3 1 1 25 14371 1 1 27 PRO N N 6.525 0.546 -1.827 1.00 . A A . 27 PRO N 1 1 25 14372 1 1 27 PRO O O 4.162 2.497 -3.718 1.00 . A A . 27 PRO O 1 1 25 14373 1 1 28 ASN C C 1.596 -0.203 -3.164 1.00 . A A . 28 ASN C 1 1 25 14374 1 1 28 ASN CA C 2.880 0.082 -3.947 1.00 . A A . 28 ASN CA 1 1 25 14375 1 1 28 ASN CB C 3.211 -1.081 -4.899 1.00 . A A . 28 ASN CB 1 1 25 14376 1 1 28 ASN CG C 3.612 -2.367 -4.194 1.00 . A A . 28 ASN CG 1 1 25 14377 1 1 28 ASN H H 4.346 -0.355 -2.505 1.00 . A A . 28 ASN H 1 1 25 14378 1 1 28 ASN HA H 2.703 0.955 -4.567 1.00 . A A . 28 ASN HA 1 1 25 14379 1 1 28 ASN HB2 H 2.349 -1.285 -5.520 1.00 . A A . 28 ASN HB2 1 1 25 14380 1 1 28 ASN HB3 H 4.030 -0.779 -5.536 1.00 . A A . 28 ASN HB3 1 1 25 14381 1 1 28 ASN HD21 H 2.902 -3.449 -5.712 1.00 . A A . 28 ASN HD21 1 1 25 14382 1 1 28 ASN HD22 H 3.589 -4.333 -4.397 1.00 . A A . 28 ASN HD22 1 1 25 14383 1 1 28 ASN N N 4.008 0.368 -3.064 1.00 . A A . 28 ASN N 1 1 25 14384 1 1 28 ASN ND2 N 3.340 -3.491 -4.832 1.00 . A A . 28 ASN ND2 1 1 25 14385 1 1 28 ASN O O 1.447 -1.250 -2.525 1.00 . A A . 28 ASN O 1 1 25 14386 1 1 28 ASN OD1 O 4.174 -2.353 -3.100 1.00 . A A . 28 ASN OD1 1 1 25 14387 1 1 29 ALA C C -1.756 1.206 -3.347 1.00 . A A . 29 ALA C 1 1 25 14388 1 1 29 ALA CA C -0.611 0.613 -2.529 1.00 . A A . 29 ALA CA 1 1 25 14389 1 1 29 ALA CB C -0.538 1.290 -1.169 1.00 . A A . 29 ALA CB 1 1 25 14390 1 1 29 ALA H H 0.822 1.515 -3.739 1.00 . A A . 29 ALA H 1 1 25 14391 1 1 29 ALA HA H -0.823 -0.432 -2.376 1.00 . A A . 29 ALA HA 1 1 25 14392 1 1 29 ALA HB1 H -1.097 2.218 -1.170 1.00 . A A . 29 ALA HB1 1 1 25 14393 1 1 29 ALA HB2 H 0.489 1.504 -0.926 1.00 . A A . 29 ALA HB2 1 1 25 14394 1 1 29 ALA HB3 H -0.950 0.629 -0.421 1.00 . A A . 29 ALA HB3 1 1 25 14395 1 1 29 ALA N N 0.659 0.740 -3.228 1.00 . A A . 29 ALA N 1 1 25 14396 1 1 29 ALA O O -1.536 1.977 -4.280 1.00 . A A . 29 ALA O 1 1 25 14397 1 1 30 LYS C C -5.252 1.567 -2.612 1.00 . A A . 30 LYS C 1 1 25 14398 1 1 30 LYS CA C -4.169 1.332 -3.655 1.00 . A A . 30 LYS CA 1 1 25 14399 1 1 30 LYS CB C -4.650 0.314 -4.692 1.00 . A A . 30 LYS CB 1 1 25 14400 1 1 30 LYS CD C -5.446 1.907 -6.473 1.00 . A A . 30 LYS CD 1 1 25 14401 1 1 30 LYS CE C -6.585 2.246 -7.423 1.00 . A A . 30 LYS CE 1 1 25 14402 1 1 30 LYS CG C -5.830 0.776 -5.535 1.00 . A A . 30 LYS CG 1 1 25 14403 1 1 30 LYS H H -3.080 0.200 -2.244 1.00 . A A . 30 LYS H 1 1 25 14404 1 1 30 LYS HA H -3.943 2.270 -4.151 1.00 . A A . 30 LYS HA 1 1 25 14405 1 1 30 LYS HB2 H -3.832 0.097 -5.344 1.00 . A A . 30 LYS HB2 1 1 25 14406 1 1 30 LYS HB3 H -4.935 -0.598 -4.184 1.00 . A A . 30 LYS HB3 1 1 25 14407 1 1 30 LYS HD2 H -5.206 2.782 -5.889 1.00 . A A . 30 LYS HD2 1 1 25 14408 1 1 30 LYS HD3 H -4.583 1.611 -7.056 1.00 . A A . 30 LYS HD3 1 1 25 14409 1 1 30 LYS HE2 H -7.448 2.546 -6.846 1.00 . A A . 30 LYS HE2 1 1 25 14410 1 1 30 LYS HE3 H -6.275 3.066 -8.054 1.00 . A A . 30 LYS HE3 1 1 25 14411 1 1 30 LYS HG2 H -6.172 -0.066 -6.116 1.00 . A A . 30 LYS HG2 1 1 25 14412 1 1 30 LYS HG3 H -6.627 1.109 -4.887 1.00 . A A . 30 LYS HG3 1 1 25 14413 1 1 30 LYS HZ1 H -7.562 1.413 -9.064 1.00 . A A . 30 LYS HZ1 1 1 25 14414 1 1 30 LYS HZ2 H -7.479 0.383 -7.731 1.00 . A A . 30 LYS HZ2 1 1 25 14415 1 1 30 LYS HZ3 H -6.105 0.641 -8.687 1.00 . A A . 30 LYS HZ3 1 1 25 14416 1 1 30 LYS N N -2.973 0.831 -2.994 1.00 . A A . 30 LYS N 1 1 25 14417 1 1 30 LYS NZ N -6.955 1.090 -8.283 1.00 . A A . 30 LYS NZ 1 1 25 14418 1 1 30 LYS O O -5.515 0.692 -1.789 1.00 . A A . 30 LYS O 1 1 25 14419 1 1 31 CYS C C -8.228 2.416 -2.060 1.00 . A A . 31 CYS C 1 1 25 14420 1 1 31 CYS CA C -6.895 3.012 -1.620 1.00 . A A . 31 CYS CA 1 1 25 14421 1 1 31 CYS CB C -7.013 4.519 -1.312 1.00 . A A . 31 CYS CB 1 1 25 14422 1 1 31 CYS H H -5.638 3.424 -3.282 1.00 . A A . 31 CYS H 1 1 25 14423 1 1 31 CYS HA H -6.589 2.531 -0.712 1.00 . A A . 31 CYS HA 1 1 25 14424 1 1 31 CYS HB2 H -7.222 4.628 -0.263 1.00 . A A . 31 CYS HB2 1 1 25 14425 1 1 31 CYS HB3 H -6.065 4.994 -1.523 1.00 . A A . 31 CYS HB3 1 1 25 14426 1 1 31 CYS N N -5.875 2.736 -2.616 1.00 . A A . 31 CYS N 1 1 25 14427 1 1 31 CYS O O -8.786 2.777 -3.098 1.00 . A A . 31 CYS O 1 1 25 14428 1 1 31 CYS SG S -8.296 5.431 -2.239 1.00 . A A . 31 CYS SG 1 1 25 14429 1 1 32 ILE C C -10.720 0.754 -0.186 1.00 . A A . 32 ILE C 1 1 25 14430 1 1 32 ILE CA C -9.980 0.825 -1.509 1.00 . A A . 32 ILE CA 1 1 25 14431 1 1 32 ILE CB C -9.847 -0.593 -2.098 1.00 . A A . 32 ILE CB 1 1 25 14432 1 1 32 ILE CD1 C -8.928 -2.910 -1.607 1.00 . A A . 32 ILE CD1 1 1 25 14433 1 1 32 ILE CG1 C -8.923 -1.448 -1.230 1.00 . A A . 32 ILE CG1 1 1 25 14434 1 1 32 ILE CG2 C -9.336 -0.531 -3.529 1.00 . A A . 32 ILE CG2 1 1 25 14435 1 1 32 ILE H H -8.168 1.169 -0.501 1.00 . A A . 32 ILE H 1 1 25 14436 1 1 32 ILE HA H -10.562 1.434 -2.198 1.00 . A A . 32 ILE HA 1 1 25 14437 1 1 32 ILE HB H -10.831 -1.046 -2.124 1.00 . A A . 32 ILE HB 1 1 25 14438 1 1 32 ILE HD11 H -8.505 -3.031 -2.593 1.00 . A A . 32 ILE HD11 1 1 25 14439 1 1 32 ILE HD12 H -9.942 -3.284 -1.601 1.00 . A A . 32 ILE HD12 1 1 25 14440 1 1 32 ILE HD13 H -8.337 -3.466 -0.894 1.00 . A A . 32 ILE HD13 1 1 25 14441 1 1 32 ILE HG12 H -7.908 -1.089 -1.317 1.00 . A A . 32 ILE HG12 1 1 25 14442 1 1 32 ILE HG13 H -9.224 -1.393 -0.197 1.00 . A A . 32 ILE HG13 1 1 25 14443 1 1 32 ILE HG21 H -8.341 -0.109 -3.543 1.00 . A A . 32 ILE HG21 1 1 25 14444 1 1 32 ILE HG22 H -9.995 0.088 -4.122 1.00 . A A . 32 ILE HG22 1 1 25 14445 1 1 32 ILE HG23 H -9.311 -1.524 -3.951 1.00 . A A . 32 ILE HG23 1 1 25 14446 1 1 32 ILE N N -8.691 1.451 -1.288 1.00 . A A . 32 ILE N 1 1 25 14447 1 1 32 ILE O O -10.105 0.517 0.855 1.00 . A A . 32 ILE O 1 1 25 14448 1 1 33 ASN C C -12.252 2.103 1.941 1.00 . A A . 33 ASN C 1 1 25 14449 1 1 33 ASN CA C -12.837 1.064 0.986 1.00 . A A . 33 ASN CA 1 1 25 14450 1 1 33 ASN CB C -12.926 -0.301 1.684 1.00 . A A . 33 ASN CB 1 1 25 14451 1 1 33 ASN CG C -13.712 -1.328 0.887 1.00 . A A . 33 ASN CG 1 1 25 14452 1 1 33 ASN H H -12.454 1.187 -1.089 1.00 . A A . 33 ASN H 1 1 25 14453 1 1 33 ASN HA H -13.829 1.383 0.698 1.00 . A A . 33 ASN HA 1 1 25 14454 1 1 33 ASN HB2 H -11.933 -0.688 1.843 1.00 . A A . 33 ASN HB2 1 1 25 14455 1 1 33 ASN HB3 H -13.413 -0.178 2.645 1.00 . A A . 33 ASN HB3 1 1 25 14456 1 1 33 ASN HD21 H -14.285 -2.238 2.569 1.00 . A A . 33 ASN HD21 1 1 25 14457 1 1 33 ASN HD22 H -14.860 -2.926 1.093 1.00 . A A . 33 ASN HD22 1 1 25 14458 1 1 33 ASN N N -12.023 0.985 -0.228 1.00 . A A . 33 ASN N 1 1 25 14459 1 1 33 ASN ND2 N -14.347 -2.253 1.587 1.00 . A A . 33 ASN ND2 1 1 25 14460 1 1 33 ASN O O -12.285 1.934 3.162 1.00 . A A . 33 ASN O 1 1 25 14461 1 1 33 ASN OD1 O -13.748 -1.292 -0.344 1.00 . A A . 33 ASN OD1 1 1 25 14462 1 1 34 LYS C C -9.811 3.775 2.857 1.00 . A A . 34 LYS C 1 1 25 14463 1 1 34 LYS CA C -11.055 4.253 2.105 1.00 . A A . 34 LYS CA 1 1 25 14464 1 1 34 LYS CB C -12.040 4.911 3.077 1.00 . A A . 34 LYS CB 1 1 25 14465 1 1 34 LYS CD C -14.079 6.356 3.395 1.00 . A A . 34 LYS CD 1 1 25 14466 1 1 34 LYS CE C -13.370 7.183 4.454 1.00 . A A . 34 LYS CE 1 1 25 14467 1 1 34 LYS CG C -13.099 5.767 2.394 1.00 . A A . 34 LYS CG 1 1 25 14468 1 1 34 LYS H H -11.693 3.242 0.375 1.00 . A A . 34 LYS H 1 1 25 14469 1 1 34 LYS HA H -10.743 4.989 1.405 1.00 . A A . 34 LYS HA 1 1 25 14470 1 1 34 LYS HB2 H -12.534 4.157 3.665 1.00 . A A . 34 LYS HB2 1 1 25 14471 1 1 34 LYS HB3 H -11.476 5.550 3.739 1.00 . A A . 34 LYS HB3 1 1 25 14472 1 1 34 LYS HD2 H -14.778 6.989 2.869 1.00 . A A . 34 LYS HD2 1 1 25 14473 1 1 34 LYS HD3 H -14.614 5.551 3.878 1.00 . A A . 34 LYS HD3 1 1 25 14474 1 1 34 LYS HE2 H -12.727 6.540 5.031 1.00 . A A . 34 LYS HE2 1 1 25 14475 1 1 34 LYS HE3 H -12.784 7.955 3.975 1.00 . A A . 34 LYS HE3 1 1 25 14476 1 1 34 LYS HG2 H -12.611 6.573 1.866 1.00 . A A . 34 LYS HG2 1 1 25 14477 1 1 34 LYS HG3 H -13.644 5.153 1.691 1.00 . A A . 34 LYS HG3 1 1 25 14478 1 1 34 LYS HZ1 H -14.975 8.449 4.881 1.00 . A A . 34 LYS HZ1 1 1 25 14479 1 1 34 LYS HZ2 H -13.810 8.372 6.104 1.00 . A A . 34 LYS HZ2 1 1 25 14480 1 1 34 LYS HZ3 H -14.887 7.087 5.886 1.00 . A A . 34 LYS HZ3 1 1 25 14481 1 1 34 LYS N N -11.695 3.168 1.354 1.00 . A A . 34 LYS N 1 1 25 14482 1 1 34 LYS NZ N -14.327 7.815 5.394 1.00 . A A . 34 LYS NZ 1 1 25 14483 1 1 34 LYS O O -9.301 4.471 3.728 1.00 . A A . 34 LYS O 1 1 25 14484 1 1 35 SER C C -7.001 1.933 2.108 1.00 . A A . 35 SER C 1 1 25 14485 1 1 35 SER CA C -8.118 2.072 3.141 1.00 . A A . 35 SER CA 1 1 25 14486 1 1 35 SER CB C -8.433 0.717 3.775 1.00 . A A . 35 SER CB 1 1 25 14487 1 1 35 SER H H -9.716 2.082 1.802 1.00 . A A . 35 SER H 1 1 25 14488 1 1 35 SER HA H -7.789 2.746 3.924 1.00 . A A . 35 SER HA 1 1 25 14489 1 1 35 SER HB2 H -8.612 -0.017 3.000 1.00 . A A . 35 SER HB2 1 1 25 14490 1 1 35 SER HB3 H -7.597 0.403 4.383 1.00 . A A . 35 SER HB3 1 1 25 14491 1 1 35 SER HG H -9.718 -0.039 5.052 1.00 . A A . 35 SER HG 1 1 25 14492 1 1 35 SER N N -9.313 2.603 2.511 1.00 . A A . 35 SER N 1 1 25 14493 1 1 35 SER O O -7.225 1.411 1.017 1.00 . A A . 35 SER O 1 1 25 14494 1 1 35 SER OG O -9.591 0.796 4.596 1.00 . A A . 35 SER OG 1 1 25 14495 1 1 36 CYS C C -4.130 0.868 1.595 1.00 . A A . 36 CYS C 1 1 25 14496 1 1 36 CYS CA C -4.663 2.296 1.549 1.00 . A A . 36 CYS CA 1 1 25 14497 1 1 36 CYS CB C -3.560 3.285 1.939 1.00 . A A . 36 CYS CB 1 1 25 14498 1 1 36 CYS H H -5.693 2.855 3.318 1.00 . A A . 36 CYS H 1 1 25 14499 1 1 36 CYS HA H -4.978 2.519 0.540 1.00 . A A . 36 CYS HA 1 1 25 14500 1 1 36 CYS HB2 H -3.239 3.061 2.949 1.00 . A A . 36 CYS HB2 1 1 25 14501 1 1 36 CYS HB3 H -2.731 3.161 1.283 1.00 . A A . 36 CYS HB3 1 1 25 14502 1 1 36 CYS N N -5.813 2.427 2.437 1.00 . A A . 36 CYS N 1 1 25 14503 1 1 36 CYS O O -3.200 0.562 2.341 1.00 . A A . 36 CYS O 1 1 25 14504 1 1 36 CYS SG S -4.083 5.034 1.922 1.00 . A A . 36 CYS SG 1 1 25 14505 1 1 37 LYS C C -3.206 -1.659 -0.116 1.00 . A A . 37 LYS C 1 1 25 14506 1 1 37 LYS CA C -4.398 -1.409 0.804 1.00 . A A . 37 LYS CA 1 1 25 14507 1 1 37 LYS CB C -5.618 -2.230 0.368 1.00 . A A . 37 LYS CB 1 1 25 14508 1 1 37 LYS CD C -4.727 -4.593 0.468 1.00 . A A . 37 LYS CD 1 1 25 14509 1 1 37 LYS CE C -5.062 -4.961 -0.969 1.00 . A A . 37 LYS CE 1 1 25 14510 1 1 37 LYS CG C -5.723 -3.596 1.034 1.00 . A A . 37 LYS CG 1 1 25 14511 1 1 37 LYS H H -5.482 0.313 0.231 1.00 . A A . 37 LYS H 1 1 25 14512 1 1 37 LYS HA H -4.132 -1.688 1.821 1.00 . A A . 37 LYS HA 1 1 25 14513 1 1 37 LYS HB2 H -6.511 -1.679 0.640 1.00 . A A . 37 LYS HB2 1 1 25 14514 1 1 37 LYS HB3 H -5.618 -2.351 -0.704 1.00 . A A . 37 LYS HB3 1 1 25 14515 1 1 37 LYS HD2 H -3.739 -4.185 0.513 1.00 . A A . 37 LYS HD2 1 1 25 14516 1 1 37 LYS HD3 H -4.765 -5.490 1.068 1.00 . A A . 37 LYS HD3 1 1 25 14517 1 1 37 LYS HE2 H -6.053 -5.389 -1.002 1.00 . A A . 37 LYS HE2 1 1 25 14518 1 1 37 LYS HE3 H -5.034 -4.075 -1.582 1.00 . A A . 37 LYS HE3 1 1 25 14519 1 1 37 LYS HG2 H -5.537 -3.487 2.094 1.00 . A A . 37 LYS HG2 1 1 25 14520 1 1 37 LYS HG3 H -6.726 -3.976 0.890 1.00 . A A . 37 LYS HG3 1 1 25 14521 1 1 37 LYS HZ1 H -4.385 -6.219 -2.484 1.00 . A A . 37 LYS HZ1 1 1 25 14522 1 1 37 LYS HZ2 H -4.070 -6.802 -0.929 1.00 . A A . 37 LYS HZ2 1 1 25 14523 1 1 37 LYS HZ3 H -3.146 -5.535 -1.564 1.00 . A A . 37 LYS HZ3 1 1 25 14524 1 1 37 LYS N N -4.738 0.002 0.802 1.00 . A A . 37 LYS N 1 1 25 14525 1 1 37 LYS NZ N -4.098 -5.946 -1.522 1.00 . A A . 37 LYS NZ 1 1 25 14526 1 1 37 LYS O O -3.241 -1.331 -1.302 1.00 . A A . 37 LYS O 1 1 25 14527 1 1 38 CYS C C -1.061 -3.704 -1.185 1.00 . A A . 38 CYS C 1 1 25 14528 1 1 38 CYS CA C -0.925 -2.470 -0.303 1.00 . A A . 38 CYS CA 1 1 25 14529 1 1 38 CYS CB C 0.245 -2.648 0.668 1.00 . A A . 38 CYS CB 1 1 25 14530 1 1 38 CYS H H -2.183 -2.466 1.399 1.00 . A A . 38 CYS H 1 1 25 14531 1 1 38 CYS HA H -0.727 -1.616 -0.923 1.00 . A A . 38 CYS HA 1 1 25 14532 1 1 38 CYS HB2 H 0.007 -3.447 1.356 1.00 . A A . 38 CYS HB2 1 1 25 14533 1 1 38 CYS HB3 H 1.136 -2.915 0.115 1.00 . A A . 38 CYS HB3 1 1 25 14534 1 1 38 CYS N N -2.153 -2.229 0.441 1.00 . A A . 38 CYS N 1 1 25 14535 1 1 38 CYS O O -1.840 -4.609 -0.890 1.00 . A A . 38 CYS O 1 1 25 14536 1 1 38 CYS SG S 0.615 -1.167 1.660 1.00 . A A . 38 CYS SG 1 1 25 14537 1 1 39 TYR C C 0.503 -6.017 -2.652 1.00 . A A . 39 TYR C 1 1 25 14538 1 1 39 TYR CA C -0.334 -4.867 -3.197 1.00 . A A . 39 TYR CA 1 1 25 14539 1 1 39 TYR CB C 0.187 -4.466 -4.580 1.00 . A A . 39 TYR CB 1 1 25 14540 1 1 39 TYR CD1 C -1.710 -3.863 -6.134 1.00 . A A . 39 TYR CD1 1 1 25 14541 1 1 39 TYR CD2 C -0.432 -2.094 -5.180 1.00 . A A . 39 TYR CD2 1 1 25 14542 1 1 39 TYR CE1 C -2.489 -2.942 -6.808 1.00 . A A . 39 TYR CE1 1 1 25 14543 1 1 39 TYR CE2 C -1.207 -1.169 -5.848 1.00 . A A . 39 TYR CE2 1 1 25 14544 1 1 39 TYR CG C -0.671 -3.454 -5.306 1.00 . A A . 39 TYR CG 1 1 25 14545 1 1 39 TYR CZ C -2.231 -1.597 -6.664 1.00 . A A . 39 TYR CZ 1 1 25 14546 1 1 39 TYR H H 0.302 -2.977 -2.465 1.00 . A A . 39 TYR H 1 1 25 14547 1 1 39 TYR HA H -1.360 -5.204 -3.296 1.00 . A A . 39 TYR HA 1 1 25 14548 1 1 39 TYR HB2 H 1.163 -4.046 -4.460 1.00 . A A . 39 TYR HB2 1 1 25 14549 1 1 39 TYR HB3 H 0.263 -5.350 -5.205 1.00 . A A . 39 TYR HB3 1 1 25 14550 1 1 39 TYR HD1 H -1.913 -4.919 -6.246 1.00 . A A . 39 TYR HD1 1 1 25 14551 1 1 39 TYR HD2 H 0.362 -1.768 -4.559 1.00 . A A . 39 TYR HD2 1 1 25 14552 1 1 39 TYR HE1 H -3.292 -3.279 -7.447 1.00 . A A . 39 TYR HE1 1 1 25 14553 1 1 39 TYR HE2 H -1.004 -0.114 -5.735 1.00 . A A . 39 TYR HE2 1 1 25 14554 1 1 39 TYR HH H -2.582 -0.440 -8.160 1.00 . A A . 39 TYR HH 1 1 25 14555 1 1 39 TYR N N -0.304 -3.733 -2.276 1.00 . A A . 39 TYR N 1 1 25 14556 1 1 39 TYR O O 0.584 -7.083 -3.258 1.00 . A A . 39 TYR O 1 1 25 14557 1 1 39 TYR OH O -3.004 -0.672 -7.330 1.00 . A A . 39 TYR OH 1 1 25 14558 1 1 40 GLY C C 3.414 -6.542 -1.056 1.00 . A A . 40 GLY C 1 1 25 14559 1 1 40 GLY CA C 1.936 -6.803 -0.880 1.00 . A A . 40 GLY CA 1 1 25 14560 1 1 40 GLY H H 1.067 -4.923 -1.065 1.00 . A A . 40 GLY H 1 1 25 14561 1 1 40 GLY HA2 H 1.702 -6.808 0.176 1.00 . A A . 40 GLY HA2 1 1 25 14562 1 1 40 GLY HA3 H 1.703 -7.781 -1.284 1.00 . A A . 40 GLY HA3 1 1 25 14563 1 1 40 GLY N N 1.131 -5.783 -1.512 1.00 . A A . 40 GLY N 1 1 25 14564 1 1 40 GLY O O 3.852 -6.088 -2.114 1.00 . A A . 40 GLY O 1 1 25 14565 1 1 41 CYS C C 6.326 -7.887 0.325 1.00 . A A . 41 CYS C 1 1 25 14566 1 1 41 CYS CA C 5.611 -6.598 -0.050 1.00 . A A . 41 CYS CA 1 1 25 14567 1 1 41 CYS CB C 5.992 -5.465 0.906 1.00 . A A . 41 CYS CB 1 1 25 14568 1 1 41 CYS H H 3.775 -7.171 0.807 1.00 . A A . 41 CYS H 1 1 25 14569 1 1 41 CYS HA H 5.914 -6.328 -1.054 1.00 . A A . 41 CYS HA 1 1 25 14570 1 1 41 CYS HB2 H 5.379 -4.607 0.698 1.00 . A A . 41 CYS HB2 1 1 25 14571 1 1 41 CYS HB3 H 5.806 -5.789 1.921 1.00 . A A . 41 CYS HB3 1 1 25 14572 1 1 41 CYS N N 4.180 -6.818 -0.020 1.00 . A A . 41 CYS N 1 1 25 14573 1 1 41 CYS O O 6.662 -8.666 -0.590 1.00 . A A . 41 CYS O 1 1 25 14574 1 1 41 CYS OXT O 6.513 -8.137 1.532 1.00 . A A . 41 CYS OXT 1 1 25 14575 1 1 41 CYS SG S 7.740 -4.953 0.807 1.00 . A A . 41 CYS SG 1 1 stop_ save_
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