NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
575330 | 2m0h | 18809 | cing | 4-filtered-FRED | STAR | entry | full | 338 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2m0h # This FRED archive file contains, for PDB entry <2m0h>: # # - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. 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.PDB_coordinate_file_version . _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_2m0h _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2m0h _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 2534.12 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 $Pulmonary_surfactant_associated_protein_B A . 1 1 stop_ save_ save_Pulmonary_surfactant_associated_protein_B _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Pulmonary surfactant associated protein B" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code DTLLGRMLPQLVCRLVLRCSMD _Entity.Number_of_monomers 22 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 ASP . 1 1 2 THR . 1 1 3 LEU . 1 1 4 LEU . 1 1 5 GLY . 1 1 6 ARG . 1 1 7 MET . 1 1 8 LEU . 1 1 9 PRO . 1 1 10 GLN . 1 1 11 LEU . 1 1 12 VAL . 1 1 13 CYS . 1 1 14 ARG . 1 1 15 LEU . 1 1 16 VAL . 1 1 17 LEU . 1 1 18 ARG . 1 1 19 CYS . 1 1 20 SER . 1 1 21 MET . 1 1 22 ASP . 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 ASP 1 1 1 1 THR 2 2 1 1 LEU 3 3 1 1 LEU 4 4 1 1 GLY 5 5 1 1 ARG 6 6 1 1 MET 7 7 1 1 LEU 8 8 1 1 PRO 9 9 1 1 GLN 10 10 1 1 LEU 11 11 1 1 VAL 12 12 1 1 CYS 13 13 1 1 ARG 14 14 1 1 LEU 15 15 1 1 VAL 16 16 1 1 LEU 17 17 1 1 ARG 18 18 1 1 CYS 19 19 1 1 SER 20 20 1 1 MET 21 21 1 1 ASP 22 22 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 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 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 12 VAL MG1 . 70 . HG1# 1 1 1 1 2 1 1 12 VAL MG2 . 70 . HG2# 1 1 2 1 1 1 1 16 VAL MG1 . 74 . HG1# 1 1 2 1 2 1 1 16 VAL MG2 . 74 . HG2# 1 1 3 1 1 1 1 9 PRO QB . 67 . HB# 1 1 3 1 2 1 1 9 PRO QG . 67 . HG# 1 1 4 1 1 1 1 15 LEU QB . 73 . HB# 1 1 4 1 2 1 1 15 LEU HG . 73 . HG 1 1 5 1 1 1 1 16 VAL HB . 74 . HB 1 1 5 1 2 1 1 16 VAL QG . 74 . HG# 1 1 6 1 1 1 1 14 ARG QB . 72 . HB# 1 1 6 1 2 1 1 14 ARG QG . 72 . HG# 1 1 7 1 1 1 1 6 ARG QB . 64 . HB# 1 1 7 1 2 1 1 6 ARG QG . 64 . HG# 1 1 8 1 1 1 1 13 CYS H . 71 . HN 1 1 8 1 2 1 1 13 CYS HA . 71 . HA 1 1 9 1 1 1 1 14 ARG H . 72 . HN 1 1 9 1 2 1 1 14 ARG QB . 72 . HB# 1 1 10 1 1 1 1 12 VAL H . 70 . HN 1 1 10 1 2 1 1 12 VAL HB . 70 . HB 1 1 11 1 1 1 1 18 ARG H . 76 . HN 1 1 11 1 2 1 1 18 ARG QB . 76 . HB# 1 1 12 1 1 1 1 12 VAL H . 70 . HN 1 1 12 1 2 1 1 12 VAL QG . 70 . HG# 1 1 13 1 1 1 1 5 GLY H . 63 . HN 1 1 13 1 2 1 1 5 GLY QA . 63 . HA# 1 1 14 1 1 1 1 8 LEU H . 66 . HN 1 1 14 1 2 1 1 8 LEU HA . 66 . HA 1 1 15 1 1 1 1 12 VAL HA . 70 . HA 1 1 15 1 2 1 1 12 VAL QG . 70 . HG# 1 1 16 1 1 1 1 18 ARG QB . 76 . HB# 1 1 16 1 2 1 1 18 ARG QG . 76 . HG# 1 1 17 1 1 1 1 16 VAL H . 74 . HN 1 1 17 1 2 1 1 16 VAL HB . 74 . HB 1 1 18 1 1 1 1 12 VAL HB . 70 . HB 1 1 18 1 2 1 1 12 VAL QG . 70 . HG# 1 1 19 1 1 1 1 13 CYS H . 71 . HN 1 1 19 1 2 1 1 13 CYS QB . 71 . HB# 1 1 20 1 1 1 1 11 LEU H . 69 . HN 1 1 20 1 2 1 1 11 LEU QB . 69 . HB# 1 1 21 1 1 1 1 6 ARG H . 64 . HN 1 1 21 1 2 1 1 6 ARG QB . 64 . HB# 1 1 22 1 1 1 1 16 VAL HA . 74 . HA 1 1 22 1 2 1 1 16 VAL QG . 74 . HG# 1 1 23 1 1 1 1 15 LEU H . 73 . HN 1 1 23 1 2 1 1 15 LEU HA . 73 . HA 1 1 24 1 1 1 1 4 LEU QB . 62 . HB# 1 1 24 1 2 1 1 4 LEU MD1 . 62 . HD1# 1 1 25 1 1 1 1 4 LEU H . 62 . HN 1 1 25 1 2 1 1 4 LEU HA . 62 . HA 1 1 26 1 1 1 1 18 ARG H . 76 . HN 1 1 26 1 2 1 1 18 ARG HA . 76 . HA 1 1 27 1 1 1 1 15 LEU H . 73 . HN 1 1 27 1 2 1 1 15 LEU QB . 73 . HB# 1 1 28 1 1 1 1 14 ARG H . 72 . HN 1 1 28 1 2 1 1 14 ARG HA . 72 . HA 1 1 29 1 1 1 1 14 ARG HA . 72 . HA 1 1 29 1 2 1 1 14 ARG QB . 72 . HB# 1 1 30 1 1 1 1 16 VAL H . 74 . HN 1 1 30 1 2 1 1 16 VAL QG . 74 . HG# 1 1 31 1 1 1 1 15 LEU HA . 73 . HA 1 1 31 1 2 1 1 15 LEU MD2 . 73 . HD2# 1 1 32 1 1 1 1 7 MET H . 65 . HN 1 1 32 1 2 1 1 7 MET QB . 65 . HB# 1 1 33 1 1 1 1 18 ARG HA . 76 . HA 1 1 33 1 2 1 1 18 ARG QB . 76 . HB# 1 1 34 1 1 1 1 6 ARG QB . 64 . HB# 1 1 34 1 2 1 1 6 ARG QD . 64 . HD# 1 1 35 1 1 1 1 4 LEU QB . 62 . HB# 1 1 35 1 2 1 1 4 LEU MD2 . 62 . HD2# 1 1 36 1 1 1 1 17 LEU HA . 75 . HA 1 1 36 1 2 1 1 17 LEU MD1 . 75 . HD1# 1 1 37 1 1 1 1 17 LEU H . 75 . HN 1 1 37 1 2 1 1 17 LEU QB . 75 . HB# 1 1 38 1 1 1 1 14 ARG QB . 72 . HB# 1 1 38 1 2 1 1 14 ARG QD . 72 . HD# 1 1 39 1 1 1 1 3 LEU MD2 . 61 . HD2# 1 1 39 1 2 1 1 3 LEU HG . 61 . HG 1 1 40 1 1 1 1 17 LEU QB . 75 . HB# 1 1 40 1 2 1 1 17 LEU HG . 75 . HG 1 1 41 1 1 1 1 17 LEU HA . 75 . HA 1 1 41 1 2 1 1 17 LEU QB . 75 . HB# 1 1 42 1 1 1 1 17 LEU QB . 75 . HB# 1 1 42 1 2 1 1 17 LEU MD1 . 75 . HD1# 1 1 43 1 1 1 1 4 LEU MD1 . 62 . HD1# 1 1 43 1 2 1 1 4 LEU HG . 62 . HG 1 1 44 1 1 1 1 9 PRO HA . 67 . HA 1 1 44 1 2 1 1 9 PRO QB . 67 . HB# 1 1 45 1 1 1 1 10 GLN QB . 68 . HB# 1 1 45 1 2 1 1 10 GLN QG . 68 . HG# 1 1 46 1 1 1 1 17 LEU H . 75 . HN 1 1 46 1 2 1 1 17 LEU HG . 75 . HG 1 1 47 1 1 1 1 17 LEU HA . 75 . HA 1 1 47 1 2 1 1 17 LEU HG . 75 . HG 1 1 48 1 1 1 1 10 GLN H . 68 . HN 1 1 48 1 2 1 1 10 GLN QB . 68 . HB# 1 1 49 1 1 1 1 14 ARG QD . 72 . HD# 1 1 49 1 2 1 1 14 ARG QG . 72 . HG# 1 1 50 1 1 1 1 14 ARG QD . 72 . HD# 1 1 50 1 2 1 1 14 ARG HE . 72 . HE 1 1 51 1 1 1 1 15 LEU HA . 73 . HA 1 1 51 1 2 1 1 15 LEU QB . 73 . HB# 1 1 52 1 1 1 1 19 CYS H . 77 . HN 1 1 52 1 2 1 1 19 CYS QB . 77 . HB# 1 1 53 1 1 1 1 4 LEU MD2 . 62 . HD2# 1 1 53 1 2 1 1 4 LEU HG . 62 . HG 1 1 54 1 1 1 1 15 LEU HA . 73 . HA 1 1 54 1 2 1 1 15 LEU MD1 . 73 . HD1# 1 1 55 1 1 1 1 13 CYS HA . 71 . HA 1 1 55 1 2 1 1 13 CYS QB . 71 . HB# 1 1 56 1 1 1 1 10 GLN HA . 68 . HA 1 1 56 1 2 1 1 10 GLN QG . 68 . HG# 1 1 57 1 1 1 1 7 MET QB . 65 . HB# 1 1 57 1 2 1 1 7 MET QG . 65 . HG# 1 1 58 1 1 1 1 17 LEU HA . 75 . HA 1 1 58 1 2 1 1 17 LEU MD2 . 75 . HD2# 1 1 59 1 1 1 1 9 PRO QD . 67 . HD# 1 1 59 1 2 1 1 9 PRO QG . 67 . HG# 1 1 60 1 1 1 1 6 ARG QD . 64 . HD# 1 1 60 1 2 1 1 6 ARG QG . 64 . HG# 1 1 61 1 1 1 1 15 LEU QB . 73 . HB# 1 1 61 1 2 1 1 15 LEU MD2 . 73 . HD2# 1 1 62 1 1 1 1 11 LEU HA . 69 . HA 1 1 62 1 2 1 1 11 LEU QB . 69 . HB# 1 1 63 1 1 1 1 6 ARG QD . 64 . HD# 1 1 63 1 2 1 1 6 ARG HE . 64 . HE 1 1 64 1 1 1 1 9 PRO QB . 67 . HB# 1 1 64 1 2 1 1 9 PRO QD . 67 . HD# 1 1 65 1 1 1 1 3 LEU MD1 . 61 . HD1# 1 1 65 1 2 1 1 3 LEU HG . 61 . HG 1 1 66 1 1 1 1 2 THR HA . 60 . HA 1 1 66 1 2 1 1 2 THR HG1 . 60 . HG# 1 1 66 1 2 1 1 2 THR MG . 60 . HG# 1 1 67 1 1 1 1 6 ARG HA . 64 . HA 1 1 67 1 2 1 1 6 ARG QB . 64 . HB# 1 1 68 1 1 1 1 9 PRO HA . 67 . HA 1 1 68 1 2 1 1 9 PRO QG . 67 . HG# 1 1 69 1 1 1 1 20 SER H . 78 . HN 1 1 69 1 2 1 1 20 SER QB . 78 . HB# 1 1 70 1 1 1 1 15 LEU HA . 73 . HA 1 1 70 1 2 1 1 15 LEU HG . 73 . HG 1 1 71 1 1 1 1 2 THR HB . 60 . HB 1 1 71 1 2 1 1 2 THR HG1 . 60 . HG# 1 1 71 1 2 1 1 2 THR MG . 60 . HG# 1 1 72 1 1 1 1 14 ARG HA . 72 . HA 1 1 72 1 2 1 1 14 ARG QG . 72 . HG# 1 1 73 1 1 1 1 15 LEU H . 73 . HN 1 1 73 1 2 1 1 15 LEU HG . 73 . HG 1 1 74 1 1 1 1 11 LEU HA . 69 . HA 1 1 74 1 2 1 1 11 LEU MD1 . 69 . HD1# 1 1 75 1 1 1 1 8 LEU QB . 66 . HB# 1 1 75 1 2 1 1 8 LEU MD2 . 66 . HD2# 1 1 76 1 1 1 1 2 THR H . 60 . HN 1 1 76 1 2 1 1 2 THR HG1 . 60 . HG# 1 1 76 1 2 1 1 2 THR MG . 60 . HG# 1 1 77 1 1 1 1 10 GLN HA . 68 . HA 1 1 77 1 2 1 1 10 GLN QB . 68 . HB# 1 1 78 1 1 1 1 18 ARG HA . 76 . HA 1 1 78 1 2 1 1 18 ARG QG . 76 . HG# 1 1 79 1 1 1 1 19 CYS HA . 77 . HA 1 1 79 1 2 1 1 19 CYS QB . 77 . HB# 1 1 80 1 1 1 1 6 ARG H . 64 . HN 1 1 80 1 2 1 1 6 ARG QG . 64 . HG# 1 1 81 1 1 1 1 20 SER HA . 78 . HA 1 1 81 1 2 1 1 20 SER QB . 78 . HB# 1 1 82 1 1 1 1 18 ARG H . 76 . HN 1 1 82 1 2 1 1 18 ARG QG . 76 . HG# 1 1 83 1 1 1 1 19 CYS H . 77 . HN 1 1 83 1 2 1 1 19 CYS HG . 77 . HG 1 1 84 1 1 1 1 13 CYS H . 71 . HN 1 1 84 1 2 1 1 13 CYS HG . 71 . HG 1 1 85 1 1 1 1 14 ARG H . 72 . HN 1 1 85 1 2 1 1 14 ARG QG . 72 . HG# 1 1 86 1 1 1 1 18 ARG QD . 76 . HD# 1 1 86 1 2 1 1 18 ARG HE . 76 . HE 1 1 87 1 1 1 1 11 LEU HA . 69 . HA 1 1 87 1 2 1 1 11 LEU MD2 . 69 . HD2# 1 1 88 1 1 1 1 8 LEU QB . 66 . HB# 1 1 88 1 2 1 1 8 LEU MD1 . 66 . HD1# 1 1 89 1 1 1 1 21 MET H . 79 . HN 1 1 89 1 2 1 1 21 MET QB . 79 . HB# 1 1 90 1 1 1 1 10 GLN H . 68 . HN 1 1 90 1 2 1 1 10 GLN QG . 68 . HG# 1 1 91 1 1 1 1 6 ARG HA . 64 . HA 1 1 91 1 2 1 1 6 ARG QG . 64 . HG# 1 1 92 1 1 1 1 8 LEU HA . 66 . HA 1 1 92 1 2 1 1 8 LEU MD2 . 66 . HD2# 1 1 93 1 1 1 1 14 ARG QB . 72 . HB# 1 1 93 1 2 1 1 14 ARG HE . 72 . HE 1 1 94 1 1 1 1 17 LEU H . 75 . HN 1 1 94 1 2 1 1 17 LEU MD1 . 75 . HD1# 1 1 95 1 1 1 1 11 LEU HA . 69 . HA 1 1 95 1 2 1 1 11 LEU HG . 69 . HG 1 1 96 1 1 1 1 9 PRO HA . 67 . HA 1 1 96 1 2 1 1 9 PRO QD . 67 . HD# 1 1 97 1 1 1 1 8 LEU H . 66 . HN 1 1 97 1 2 1 1 8 LEU MD2 . 66 . HD2# 1 1 98 1 1 1 1 7 MET H . 65 . HN 1 1 98 1 2 1 1 7 MET QG . 65 . HG# 1 1 99 1 1 1 1 15 LEU H . 73 . HN 1 1 99 1 2 1 1 15 LEU MD2 . 73 . HD2# 1 1 100 1 1 1 1 14 ARG HA . 72 . HA 1 1 100 1 2 1 1 14 ARG QD . 72 . HD# 1 1 101 1 1 1 1 11 LEU H . 69 . HN 1 1 101 1 2 1 1 11 LEU MD2 . 69 . HD2# 1 1 102 1 1 1 1 1 ASP HA . 59 . HA 1 1 102 1 2 1 1 1 ASP QB . 59 . HB# 1 1 103 1 1 1 1 14 ARG HE . 72 . HE 1 1 103 1 2 1 1 14 ARG QG . 72 . HG# 1 1 104 1 1 1 1 11 LEU H . 69 . HN 1 1 104 1 2 1 1 11 LEU HG . 69 . HG 1 1 105 1 1 1 1 18 ARG HA . 76 . HA 1 1 105 1 2 1 1 18 ARG QD . 76 . HD# 1 1 106 1 1 1 1 3 LEU HA . 61 . HA 1 1 106 1 2 1 1 3 LEU MD1 . 61 . HD1# 1 1 107 1 1 1 1 6 ARG HA . 64 . HA 1 1 107 1 2 1 1 6 ARG QD . 64 . HD# 1 1 108 1 1 1 1 4 LEU HA . 62 . HA 1 1 108 1 2 1 1 4 LEU MD2 . 62 . HD2# 1 1 109 1 1 1 1 8 LEU H . 66 . HN 1 1 109 1 2 1 1 8 LEU MD1 . 66 . HD1# 1 1 110 1 1 1 1 11 LEU H . 69 . HN 1 1 110 1 2 1 1 11 LEU MD1 . 69 . HD1# 1 1 111 1 1 1 1 17 LEU H . 75 . HN 1 1 111 1 2 1 1 17 LEU MD2 . 75 . HD2# 1 1 112 1 1 1 1 4 LEU HA . 62 . HA 1 1 112 1 2 1 1 4 LEU MD1 . 62 . HD1# 1 1 113 1 1 1 1 4 LEU H . 62 . HN 1 1 113 1 2 1 1 4 LEU MD2 . 62 . HD2# 1 1 114 1 1 1 1 3 LEU HA . 61 . HA 1 1 114 1 2 1 1 3 LEU MD2 . 61 . HD2# 1 1 115 1 1 1 1 8 LEU HA . 66 . HA 1 1 115 1 2 1 1 8 LEU MD1 . 66 . HD1# 1 1 116 1 1 1 1 22 ASP HA . 80 . HA 1 1 116 1 2 1 1 22 ASP QB . 80 . HB# 1 1 117 1 1 1 1 6 ARG H . 64 . HN 1 1 117 1 2 1 1 6 ARG QD . 64 . HD# 1 1 118 1 1 1 1 4 LEU H . 62 . HN 1 1 118 1 2 1 1 4 LEU MD1 . 62 . HD1# 1 1 119 1 1 1 1 15 LEU H . 73 . HN 1 1 119 1 2 1 1 15 LEU MD1 . 73 . HD1# 1 1 120 1 1 1 1 21 MET HA . 79 . HA 1 1 120 1 2 1 1 21 MET QG . 79 . HG# 1 1 121 1 1 1 1 18 ARG QB . 76 . HB# 1 1 121 1 2 1 1 18 ARG HE . 76 . HE 1 1 122 1 1 1 1 7 MET HA . 65 . HA 1 1 122 1 2 1 1 7 MET QG . 65 . HG# 1 1 123 1 1 1 1 18 ARG HE . 76 . HE 1 1 123 1 2 1 1 18 ARG QG . 76 . HG# 1 1 124 1 1 1 1 10 GLN HE21 . 68 . HE21 1 1 124 1 2 1 1 10 GLN QG . 68 . HG# 1 1 125 1 1 1 1 22 ASP H . 80 . HN 1 1 125 1 2 1 1 22 ASP QB . 80 . HB# 1 1 126 1 1 1 1 18 ARG HA . 76 . HA 1 1 126 1 2 1 1 18 ARG HE . 76 . HE 1 1 127 1 1 1 1 21 MET H . 79 . HN 1 1 127 1 2 1 1 21 MET QG . 79 . HG# 1 1 128 1 1 1 1 3 LEU H . 61 . HN 1 1 128 1 2 1 1 3 LEU MD1 . 61 . HD1# 1 1 129 1 1 1 1 2 THR HA . 60 . HA 1 1 129 1 2 1 1 3 LEU H . 61 . HN 1 1 130 1 1 1 1 13 CYS H . 71 . HN 1 1 130 1 2 1 1 14 ARG H . 72 . HN 1 1 131 1 1 1 1 7 MET H . 65 . HN 1 1 131 1 2 1 1 8 LEU H . 66 . HN 1 1 132 1 1 1 1 14 ARG H . 72 . HN 1 1 132 1 2 1 1 15 LEU H . 73 . HN 1 1 133 1 1 1 1 12 VAL H . 70 . HN 1 1 133 1 2 1 1 13 CYS H . 71 . HN 1 1 134 1 1 1 1 10 GLN H . 68 . HN 1 1 134 1 2 1 1 11 LEU H . 69 . HN 1 1 135 1 1 1 1 11 LEU H . 69 . HN 1 1 135 1 2 1 1 12 VAL H . 70 . HN 1 1 136 1 1 1 1 1 ASP HA . 59 . HA 1 1 136 1 2 1 1 2 THR H . 60 . HN 1 1 137 1 1 1 1 14 ARG HA . 72 . HA 1 1 137 1 2 1 1 15 LEU H . 73 . HN 1 1 138 1 1 1 1 12 VAL HB . 70 . HB 1 1 138 1 2 1 1 13 CYS H . 71 . HN 1 1 139 1 1 1 1 15 LEU H . 73 . HN 1 1 139 1 2 1 1 16 VAL H . 74 . HN 1 1 140 1 1 1 1 16 VAL H . 74 . HN 1 1 140 1 2 1 1 17 LEU H . 75 . HN 1 1 141 1 1 1 1 17 LEU HA . 75 . HA 1 1 141 1 2 1 1 18 ARG H . 76 . HN 1 1 142 1 1 1 1 8 LEU H . 66 . HN 1 1 142 1 2 1 1 9 PRO QD . 67 . HD# 1 1 143 1 1 1 1 3 LEU H . 61 . HN 1 1 143 1 2 1 1 4 LEU H . 62 . HN 1 1 144 1 1 1 1 16 VAL HB . 74 . HB 1 1 144 1 2 1 1 17 LEU H . 75 . HN 1 1 145 1 1 1 1 19 CYS H . 77 . HN 1 1 145 1 2 1 1 20 SER H . 78 . HN 1 1 146 1 1 1 1 18 ARG H . 76 . HN 1 1 146 1 2 1 1 19 CYS H . 77 . HN 1 1 147 1 1 1 1 5 GLY H . 63 . HN 1 1 147 1 2 1 1 6 ARG H . 64 . HN 1 1 148 1 1 1 1 20 SER H . 78 . HN 1 1 148 1 2 1 1 21 MET H . 79 . HN 1 1 149 1 1 1 1 14 ARG QB . 72 . HB# 1 1 149 1 2 1 1 15 LEU H . 73 . HN 1 1 150 1 1 1 1 4 LEU HA . 62 . HA 1 1 150 1 2 1 1 5 GLY H . 63 . HN 1 1 151 1 1 1 1 7 MET HA . 65 . HA 1 1 151 1 2 1 1 8 LEU H . 66 . HN 1 1 152 1 1 1 1 3 LEU HA . 61 . HA 1 1 152 1 2 1 1 4 LEU H . 62 . HN 1 1 153 1 1 1 1 9 PRO QB . 67 . HB# 1 1 153 1 2 1 1 10 GLN H . 68 . HN 1 1 154 1 1 1 1 18 ARG QB . 76 . HB# 1 1 154 1 2 1 1 19 CYS H . 77 . HN 1 1 155 1 1 1 1 11 LEU QB . 69 . HB# 1 1 155 1 2 1 1 12 VAL H . 70 . HN 1 1 156 1 1 1 1 6 ARG QB . 64 . HB# 1 1 156 1 2 1 1 7 MET H . 65 . HN 1 1 157 1 1 1 1 13 CYS HA . 71 . HA 1 1 157 1 2 1 1 14 ARG H . 72 . HN 1 1 158 1 1 1 1 10 GLN QB . 68 . HB# 1 1 158 1 2 1 1 11 LEU H . 69 . HN 1 1 159 1 1 1 1 7 MET QB . 65 . HB# 1 1 159 1 2 1 1 8 LEU H . 66 . HN 1 1 160 1 1 1 1 5 GLY QA . 63 . HA# 1 1 160 1 2 1 1 6 ARG H . 64 . HN 1 1 161 1 1 1 1 18 ARG HA . 76 . HA 1 1 161 1 2 1 1 19 CYS H . 77 . HN 1 1 162 1 1 1 1 13 CYS QB . 71 . HB# 1 1 162 1 2 1 1 14 ARG H . 72 . HN 1 1 163 1 1 1 1 17 LEU QB . 75 . HB# 1 1 163 1 2 1 1 18 ARG H . 76 . HN 1 1 164 1 1 1 1 21 MET H . 79 . HN 1 1 164 1 2 1 1 22 ASP H . 80 . HN 1 1 165 1 1 1 1 12 VAL HB . 70 . HB 1 1 165 1 2 1 1 13 CYS HA . 71 . HA 1 1 166 1 1 1 1 2 THR H . 60 . HN 1 1 166 1 2 1 1 3 LEU H . 61 . HN 1 1 167 1 1 1 1 15 LEU QB . 73 . HB# 1 1 167 1 2 1 1 16 VAL H . 74 . HN 1 1 168 1 1 1 1 10 GLN HA . 68 . HA 1 1 168 1 2 1 1 11 LEU H . 69 . HN 1 1 169 1 1 1 1 11 LEU HA . 69 . HA 1 1 169 1 2 1 1 12 VAL H . 70 . HN 1 1 170 1 1 1 1 12 VAL HA . 70 . HA 1 1 170 1 2 1 1 13 CYS H . 71 . HN 1 1 171 1 1 1 1 12 VAL QG . 70 . HG# 1 1 171 1 2 1 1 13 CYS H . 71 . HN 1 1 172 1 1 1 1 9 PRO QG . 67 . HG# 1 1 172 1 2 1 1 10 GLN H . 68 . HN 1 1 173 1 1 1 1 16 VAL QG . 74 . HG# 1 1 173 1 2 1 1 17 LEU H . 75 . HN 1 1 174 1 1 1 1 15 LEU HA . 73 . HA 1 1 174 1 2 1 1 16 VAL H . 74 . HN 1 1 175 1 1 1 1 19 CYS HA . 77 . HA 1 1 175 1 2 1 1 20 SER H . 78 . HN 1 1 176 1 1 1 1 15 LEU H . 73 . HN 1 1 176 1 2 1 1 16 VAL HB . 74 . HB 1 1 177 1 1 1 1 7 MET H . 65 . HN 1 1 177 1 2 1 1 8 LEU HA . 66 . HA 1 1 178 1 1 1 1 17 LEU H . 75 . HN 1 1 178 1 2 1 1 18 ARG QB . 76 . HB# 1 1 179 1 1 1 1 16 VAL HA . 74 . HA 1 1 179 1 2 1 1 17 LEU H . 75 . HN 1 1 180 1 1 1 1 12 VAL MG2 . 70 . HG2# 1 1 180 1 2 1 1 13 CYS H . 71 . HN 1 1 181 1 1 1 1 20 SER HA . 78 . HA 1 1 181 1 2 1 1 21 MET H . 79 . HN 1 1 182 1 1 1 1 21 MET HA . 79 . HA 1 1 182 1 2 1 1 22 ASP H . 80 . HN 1 1 183 1 1 1 1 4 LEU MD2 . 62 . HD2# 1 1 183 1 2 1 1 5 GLY H . 63 . HN 1 1 184 1 1 1 1 1 ASP QB . 59 . HB# 1 1 184 1 2 1 1 2 THR H . 60 . HN 1 1 185 1 1 1 1 11 LEU MD1 . 69 . HD1# 1 1 185 1 2 1 1 12 VAL H . 70 . HN 1 1 186 1 1 1 1 12 VAL H . 70 . HN 1 1 186 1 2 1 1 13 CYS HA . 71 . HA 1 1 187 1 1 1 1 19 CYS QB . 77 . HB# 1 1 187 1 2 1 1 20 SER H . 78 . HN 1 1 188 1 1 1 1 15 LEU H . 73 . HN 1 1 188 1 2 1 1 16 VAL QG . 74 . HG# 1 1 189 1 1 1 1 7 MET H . 65 . HN 1 1 189 1 2 1 1 8 LEU MD2 . 66 . HD2# 1 1 190 1 1 1 1 8 LEU HA . 66 . HA 1 1 190 1 2 1 1 9 PRO QD . 67 . HD# 1 1 191 1 1 1 1 2 THR HG1 . 60 . HG# 1 1 191 1 1 1 1 2 THR MG . 60 . HG# 1 1 191 1 2 1 1 3 LEU H . 61 . HN 1 1 192 1 1 1 1 10 GLN QG . 68 . HG# 1 1 192 1 2 1 1 11 LEU H . 69 . HN 1 1 193 1 1 1 1 15 LEU H . 73 . HN 1 1 193 1 2 1 1 16 VAL HA . 74 . HA 1 1 194 1 1 1 1 10 GLN QB . 68 . HB# 1 1 194 1 2 1 1 11 LEU HA . 69 . HA 1 1 195 1 1 1 1 16 VAL HB . 74 . HB 1 1 195 1 2 1 1 17 LEU HA . 75 . HA 1 1 196 1 1 1 1 11 LEU H . 69 . HN 1 1 196 1 2 1 1 12 VAL MG2 . 70 . HG2# 1 1 197 1 1 1 1 17 LEU H . 75 . HN 1 1 197 1 2 1 1 18 ARG QG . 76 . HG# 1 1 198 1 1 1 1 15 LEU HG . 73 . HG 1 1 198 1 2 1 1 16 VAL H . 74 . HN 1 1 199 1 1 1 1 13 CYS HG . 71 . HG 1 1 199 1 2 1 1 14 ARG H . 72 . HN 1 1 200 1 1 1 1 12 VAL H . 70 . HN 1 1 200 1 2 1 1 13 CYS HG . 71 . HG 1 1 201 1 1 1 1 20 SER QB . 78 . HB# 1 1 201 1 2 1 1 21 MET H . 79 . HN 1 1 202 1 1 1 1 6 ARG QD . 64 . HD# 1 1 202 1 2 1 1 7 MET H . 65 . HN 1 1 203 1 1 1 1 8 LEU H . 66 . HN 1 1 203 1 2 1 1 9 PRO QB . 67 . HB# 1 1 204 1 1 1 1 11 LEU H . 69 . HN 1 1 204 1 2 1 1 12 VAL HA . 70 . HA 1 1 205 1 1 1 1 16 VAL QG . 74 . HG# 1 1 205 1 2 1 1 17 LEU HA . 75 . HA 1 1 206 1 1 1 1 15 LEU MD1 . 73 . HD1# 1 1 206 1 2 1 1 16 VAL H . 74 . HN 1 1 207 1 1 1 1 14 ARG QD . 72 . HD# 1 1 207 1 2 1 1 15 LEU H . 73 . HN 1 1 208 1 1 1 1 15 LEU HA . 73 . HA 1 1 208 1 2 1 1 16 VAL QG . 74 . HG# 1 1 209 1 1 1 1 7 MET QG . 65 . HG# 1 1 209 1 2 1 1 8 LEU H . 66 . HN 1 1 210 1 1 1 1 12 VAL H . 70 . HN 1 1 210 1 2 1 1 13 CYS QB . 71 . HB# 1 1 211 1 1 1 1 15 LEU HA . 73 . HA 1 1 211 1 2 1 1 18 ARG QB . 76 . HB# 1 1 212 1 1 1 1 13 CYS H . 71 . HN 1 1 212 1 2 1 1 16 VAL HB . 74 . HB 1 1 213 1 1 1 1 13 CYS HA . 71 . HA 1 1 213 1 2 1 1 16 VAL HB . 74 . HB 1 1 214 1 1 1 1 16 VAL H . 74 . HN 1 1 214 1 2 1 1 19 CYS H . 77 . HN 1 1 215 1 1 1 1 10 GLN HA . 68 . HA 1 1 215 1 2 1 1 13 CYS QB . 71 . HB# 1 1 216 1 1 1 1 8 LEU HA . 66 . HA 1 1 216 1 2 1 1 11 LEU H . 69 . HN 1 1 217 1 1 1 1 14 ARG HA . 72 . HA 1 1 217 1 2 1 1 17 LEU QB . 75 . HB# 1 1 218 1 1 1 1 16 VAL HA . 74 . HA 1 1 218 1 2 1 1 19 CYS QB . 77 . HB# 1 1 219 1 1 1 1 12 VAL HA . 70 . HA 1 1 219 1 2 1 1 15 LEU H . 73 . HN 1 1 220 1 1 1 1 12 VAL HA . 70 . HA 1 1 220 1 2 1 1 15 LEU QB . 73 . HB# 1 1 221 1 1 1 1 11 LEU HA . 69 . HA 1 1 221 1 2 1 1 14 ARG H . 72 . HN 1 1 222 1 1 1 1 14 ARG HA . 72 . HA 1 1 222 1 2 1 1 17 LEU H . 75 . HN 1 1 223 1 1 1 1 13 CYS HA . 71 . HA 1 1 223 1 2 1 1 16 VAL QG . 74 . HG# 1 1 224 1 1 1 1 16 VAL QG . 74 . HG# 1 1 224 1 2 1 1 19 CYS H . 77 . HN 1 1 225 1 1 1 1 13 CYS HA . 71 . HA 1 1 225 1 2 1 1 16 VAL H . 74 . HN 1 1 226 1 1 1 1 14 ARG HA . 72 . HA 1 1 226 1 2 1 1 17 LEU HG . 75 . HG 1 1 227 1 1 1 1 12 VAL HA . 70 . HA 1 1 227 1 2 1 1 16 VAL H . 74 . HN 1 1 228 1 1 1 1 13 CYS HA . 71 . HA 1 1 228 1 2 1 1 17 LEU H . 75 . HN 1 1 229 1 1 1 1 4 LEU HA . 62 . HA 1 1 229 1 2 1 1 7 MET H . 65 . HN 1 1 230 1 1 1 1 16 VAL HA . 74 . HA 1 1 230 1 2 1 1 19 CYS H . 77 . HN 1 1 231 1 1 1 1 17 LEU HA . 75 . HA 1 1 231 1 2 1 1 20 SER H . 78 . HN 1 1 232 1 1 1 1 3 LEU HA . 61 . HA 1 1 232 1 2 1 1 6 ARG H . 64 . HN 1 1 233 1 1 1 1 14 ARG HA . 72 . HA 1 1 233 1 2 1 1 18 ARG H . 76 . HN 1 1 234 1 1 1 1 11 LEU H . 69 . HN 1 1 234 1 2 1 1 14 ARG QB . 72 . HB# 1 1 235 1 1 1 1 8 LEU HA . 66 . HA 1 1 235 1 2 1 1 12 VAL H . 70 . HN 1 1 236 1 1 1 1 4 LEU MD2 . 62 . HD2# 1 1 236 1 2 1 1 7 MET H . 65 . HN 1 1 237 1 1 1 1 3 LEU HA . 61 . HA 1 1 237 1 2 1 1 6 ARG QB . 64 . HB# 1 1 238 1 1 1 1 4 LEU HA . 62 . HA 1 1 238 1 2 1 1 8 LEU H . 66 . HN 1 1 239 1 1 1 1 13 CYS QB . 71 . HB# 1 1 239 1 2 1 1 15 LEU H . 73 . HN 1 1 240 1 1 1 1 4 LEU HA . 62 . HA 1 1 240 1 2 1 1 7 MET QB . 65 . HB# 1 1 241 1 1 1 1 10 GLN H . 68 . HN 1 1 241 1 2 1 1 12 VAL H . 70 . HN 1 1 242 1 1 1 1 12 VAL MG2 . 70 . HG2# 1 1 242 1 2 1 1 15 LEU H . 73 . HN 1 1 243 1 1 1 1 12 VAL H . 70 . HN 1 1 243 1 2 1 1 15 LEU QB . 73 . HB# 1 1 244 1 1 1 1 7 MET H . 65 . HN 1 1 244 1 2 1 1 9 PRO QD . 67 . HD# 1 1 245 1 1 1 1 2 THR H . 60 . HN 1 1 245 1 2 1 1 5 GLY H . 63 . HN 1 1 246 1 1 1 1 16 VAL HB . 74 . HB 1 1 246 1 2 1 1 18 ARG H . 76 . HN 1 1 247 1 1 1 1 14 ARG H . 72 . HN 1 1 247 1 2 1 1 16 VAL H . 74 . HN 1 1 248 1 1 1 1 2 THR H . 60 . HN 1 1 248 1 2 1 1 5 GLY QA . 63 . HA# 1 1 249 1 1 1 1 9 PRO QD . 67 . HD# 1 1 249 1 2 1 1 11 LEU H . 69 . HN 1 1 250 1 1 1 1 3 LEU H . 61 . HN 1 1 250 1 2 1 1 5 GLY H . 63 . HN 1 1 251 1 1 1 1 15 LEU H . 73 . HN 1 1 251 1 2 1 1 19 CYS QB . 77 . HB# 1 1 252 1 1 1 1 12 VAL HB . 70 . HB 1 1 252 1 2 1 1 14 ARG H . 72 . HN 1 1 253 1 1 1 1 12 VAL H . 70 . HN 1 1 253 1 2 1 1 14 ARG QB . 72 . HB# 1 1 254 1 1 1 1 18 ARG HA . 76 . HA 1 1 254 1 2 1 1 21 MET H . 79 . HN 1 1 255 1 1 1 1 18 ARG H . 76 . HN 1 1 255 1 2 1 1 20 SER H . 78 . HN 1 1 256 1 1 1 1 14 ARG H . 72 . HN 1 1 256 1 2 1 1 16 VAL HB . 74 . HB 1 1 257 1 1 1 1 14 ARG HA . 72 . HA 1 1 257 1 2 1 1 16 VAL H . 74 . HN 1 1 258 1 1 1 1 16 VAL QG . 74 . HG# 1 1 258 1 2 1 1 18 ARG H . 76 . HN 1 1 259 1 1 1 1 16 VAL HA . 74 . HA 1 1 259 1 2 1 1 18 ARG H . 76 . HN 1 1 260 1 1 1 1 14 ARG QB . 72 . HB# 1 1 260 1 2 1 1 16 VAL H . 74 . HN 1 1 261 1 1 1 1 12 VAL HA . 70 . HA 1 1 261 1 2 1 1 14 ARG H . 72 . HN 1 1 262 1 1 1 1 2 THR HG1 . 60 . HG# 1 1 262 1 1 1 1 2 THR MG . 60 . HG# 1 1 262 1 2 1 1 5 GLY H . 63 . HN 1 1 263 1 1 1 1 10 GLN HA . 68 . HA 1 1 263 1 2 1 1 14 ARG QB . 72 . HB# 1 1 264 1 1 1 1 16 VAL H . 74 . HN 1 1 264 1 2 1 1 18 ARG QB . 76 . HB# 1 1 265 1 1 1 1 14 ARG HA . 72 . HA 1 1 265 1 2 1 1 18 ARG QG . 76 . HG# 1 1 266 1 1 1 1 17 LEU H . 75 . HN 1 1 266 1 2 1 1 20 SER H . 78 . HN 1 1 267 1 1 1 1 17 LEU HA . 75 . HA 1 1 267 1 2 1 1 21 MET H . 79 . HN 1 1 268 1 1 1 1 16 VAL H . 74 . HN 1 1 268 1 2 1 1 18 ARG QG . 76 . HG# 1 1 269 1 1 1 1 18 ARG HA . 76 . HA 1 1 269 1 2 1 1 22 ASP H . 80 . HN 1 1 270 1 1 1 1 13 CYS QB . 71 . HB# 1 1 270 1 2 1 1 17 LEU H . 75 . HN 1 1 271 1 1 1 1 14 ARG HA . 72 . HA 1 1 271 1 2 1 1 16 VAL QG . 74 . HG# 1 1 272 1 1 1 1 12 VAL QG . 70 . HG# 1 1 272 1 2 1 1 14 ARG HA . 72 . HA 1 1 273 1 1 1 1 10 GLN QB . 68 . HB# 1 1 273 1 2 1 1 14 ARG H . 72 . HN 1 1 274 1 1 1 1 19 CYS H . 77 . HN 1 1 274 1 2 1 1 21 MET H . 79 . HN 1 1 275 1 1 1 1 14 ARG HA . 72 . HA 1 1 275 1 2 1 1 16 VAL HB . 74 . HB 1 1 276 1 1 1 1 2 THR HG1 . 60 . HG# 1 1 276 1 1 1 1 2 THR MG . 60 . HG# 1 1 276 1 2 1 1 4 LEU H . 62 . HN 1 1 277 1 1 1 1 14 ARG H . 72 . HN 1 1 277 1 2 1 1 16 VAL QG . 74 . HG# 1 1 278 1 1 1 1 16 VAL QG . 74 . HG# 1 1 278 1 2 1 1 18 ARG HA . 76 . HA 1 1 279 1 1 1 1 2 THR H . 60 . HN 1 1 279 1 2 1 1 6 ARG H . 64 . HN 1 1 280 1 1 1 1 16 VAL HA . 74 . HA 1 1 280 1 2 1 1 20 SER H . 78 . HN 1 1 281 1 1 1 1 10 GLN QB . 68 . HB# 1 1 281 1 2 1 1 14 ARG HA . 72 . HA 1 1 282 1 1 1 1 11 LEU H . 69 . HN 1 1 282 1 2 1 1 13 CYS QB . 71 . HB# 1 1 283 1 1 1 1 12 VAL MG2 . 70 . HG2# 1 1 283 1 2 1 1 14 ARG H . 72 . HN 1 1 284 1 1 1 1 13 CYS HG . 71 . HG 1 1 284 1 2 1 1 17 LEU H . 75 . HN 1 1 285 1 1 1 1 19 CYS HA . 77 . HA 1 1 285 1 2 1 1 21 MET H . 79 . HN 1 1 286 1 1 1 1 14 ARG QG . 72 . HG# 1 1 286 1 2 1 1 16 VAL H . 74 . HN 1 1 287 1 1 1 1 13 CYS HG . 71 . HG 1 1 287 1 2 1 1 16 VAL H . 74 . HN 1 1 288 1 1 1 1 14 ARG HE . 72 . HE 1 1 288 1 2 1 1 17 LEU HA . 75 . HA 1 1 289 1 1 1 1 18 ARG H . 76 . HN 1 1 289 1 2 1 1 21 MET H . 79 . HN 1 1 290 1 1 1 1 3 LEU H . 61 . HN 1 1 290 1 2 1 1 6 ARG H . 64 . HN 1 1 291 1 1 1 1 14 ARG HE . 72 . HE 1 1 291 1 2 1 1 17 LEU HG . 75 . HG 1 1 292 1 1 1 1 5 GLY H . 63 . HN 1 1 292 1 2 1 1 13 CYS HG . 71 . HG 1 1 293 1 1 1 1 5 GLY H . 63 . HN 1 1 293 1 2 1 1 13 CYS QB . 71 . HB# 1 1 294 1 1 1 1 7 MET H . 65 . HN 1 1 294 1 2 1 1 13 CYS HG . 71 . HG 1 1 295 1 1 1 1 13 CYS QB . 71 . HB# 1 1 295 1 2 1 1 18 ARG H . 76 . HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 2.0 3.5 1 1 2 1 . . . . . 2.5 2.0 3.5 1 1 3 1 . . . . . 2.5 2.0 3.5 1 1 4 1 . . . . . 2.5 2.0 3.5 1 1 5 1 . . . . . 2.5 2.0 3.5 1 1 6 1 . . . . . 2.5 2.0 3.5 1 1 7 1 . . . . . 2.5 2.0 3.5 1 1 8 1 . . . . . 2.5 2.0 3.5 1 1 9 1 . . . . . 2.5 2.0 3.5 1 1 10 1 . . . . . 2.5 2.0 3.5 1 1 11 1 . . . . . 2.5 2.0 3.5 1 1 12 1 . . . . . 2.5 2.0 3.5 1 1 13 1 . . . . . 2.5 2.0 3.5 1 1 14 1 . . . . . 2.5 2.0 3.5 1 1 15 1 . . . . . 2.5 2.0 3.5 1 1 16 1 . . . . . 2.5 2.0 3.5 1 1 17 1 . . . . . 2.5 2.0 3.5 1 1 18 1 . . . . . 2.5 2.0 3.5 1 1 19 1 . . . . . 2.5 2.0 3.5 1 1 20 1 . . . . . 2.5 2.0 3.5 1 1 21 1 . . . . . 2.5 2.0 3.5 1 1 22 1 . . . . . 2.5 2.0 3.5 1 1 23 1 . . . . . 2.5 2.0 3.5 1 1 24 1 . . . . . 2.5 2.0 3.5 1 1 25 1 . . . . . 2.5 2.0 3.5 1 1 26 1 . . . . . 2.5 2.0 3.5 1 1 27 1 . . . . . 2.5 2.0 3.5 1 1 28 1 . . . . . 2.5 2.0 3.5 1 1 29 1 . . . . . 2.5 2.0 3.5 1 1 30 1 . . . . . 2.5 2.0 3.5 1 1 31 1 . . . . . 2.5 2.0 3.5 1 1 32 1 . . . . . 3.5 2.0 4.5 1 1 33 1 . . . . . 3.5 2.0 4.5 1 1 34 1 . . . . . 3.5 2.0 4.5 1 1 35 1 . . . . . 3.5 2.0 4.5 1 1 36 1 . . . . . 3.5 2.0 4.5 1 1 37 1 . . . . . 3.5 2.0 4.5 1 1 38 1 . . . . . 3.5 2.0 4.5 1 1 39 1 . . . . . 3.5 2.0 4.5 1 1 40 1 . . . . . 3.5 2.0 4.5 1 1 41 1 . . . . . 3.5 2.0 4.5 1 1 42 1 . . . . . 3.5 2.0 4.5 1 1 43 1 . . . . . 3.5 2.0 4.5 1 1 44 1 . . . . . 3.5 2.0 4.5 1 1 45 1 . . . . . 3.5 2.0 4.5 1 1 46 1 . . . . . 3.5 2.0 4.5 1 1 47 1 . . . . . 3.5 2.0 4.5 1 1 48 1 . . . . . 3.5 2.0 4.5 1 1 49 1 . . . . . 3.5 2.0 4.5 1 1 50 1 . . . . . 3.5 2.0 4.5 1 1 51 1 . . . . . 3.5 2.0 4.5 1 1 52 1 . . . . . 3.5 2.0 4.5 1 1 53 1 . . . . . 3.5 2.0 4.5 1 1 54 1 . . . . . 3.5 2.0 4.5 1 1 55 1 . . . . . 3.5 2.0 4.5 1 1 56 1 . . . . . 3.5 2.0 4.5 1 1 57 1 . . . . . 3.5 2.0 4.5 1 1 58 1 . . . . . 3.5 2.0 4.5 1 1 59 1 . . . . . 3.5 2.0 4.5 1 1 60 1 . . . . . 3.5 2.0 4.5 1 1 61 1 . . . . . 3.5 2.0 4.5 1 1 62 1 . . . . . 3.5 2.0 4.5 1 1 63 1 . . . . . 3.5 2.0 4.5 1 1 64 1 . . . . . 3.5 2.0 4.5 1 1 65 1 . . . . . 3.5 2.0 4.5 1 1 66 1 . . . . . 3.5 2.0 4.5 1 1 67 1 . . . . . 3.5 2.0 4.5 1 1 68 1 . . . . . 3.5 2.0 4.5 1 1 69 1 . . . . . 3.5 2.0 4.5 1 1 70 1 . . . . . 3.5 2.0 4.5 1 1 71 1 . . . . . 3.5 2.0 4.5 1 1 72 1 . . . . . 3.5 2.0 4.5 1 1 73 1 . . . . . 3.5 2.0 4.5 1 1 74 1 . . . . . 3.5 2.0 4.5 1 1 75 1 . . . . . 3.5 2.0 4.5 1 1 76 1 . . . . . 3.5 2.0 4.5 1 1 77 1 . . . . . 3.5 2.0 4.5 1 1 78 1 . . . . . 3.5 2.0 4.5 1 1 79 1 . . . . . 3.5 2.0 4.5 1 1 80 1 . . . . . 3.5 2.0 4.5 1 1 81 1 . . . . . 3.5 2.0 4.5 1 1 82 1 . . . . . 3.5 2.0 4.5 1 1 83 1 . . . . . 3.5 2.0 4.5 1 1 84 1 . . . . . 3.5 2.0 4.5 1 1 85 1 . . . . . 3.5 2.0 4.5 1 1 86 1 . . . . . 3.5 2.0 4.5 1 1 87 1 . . . . . 3.5 2.0 4.5 1 1 88 1 . . . . . 3.5 2.0 4.5 1 1 89 1 . . . . . 3.5 2.0 4.5 1 1 90 1 . . . . . 3.5 2.0 4.5 1 1 91 1 . . . . . 3.5 2.0 4.5 1 1 92 1 . . . . . 3.5 2.0 4.5 1 1 93 1 . . . . . 3.5 2.0 4.5 1 1 94 1 . . . . . 3.5 2.0 4.5 1 1 95 1 . . . . . 3.5 2.0 4.5 1 1 96 1 . . . . . 3.5 2.0 4.5 1 1 97 1 . . . . . 3.5 2.0 4.5 1 1 98 1 . . . . . 3.5 2.0 4.5 1 1 99 1 . . . . . 3.5 2.0 4.5 1 1 100 1 . . . . . 3.5 2.0 4.5 1 1 101 1 . . . . . 4.5 2.0 6.0 1 1 102 1 . . . . . 4.5 2.0 6.0 1 1 103 1 . . . . . 4.5 2.0 6.0 1 1 104 1 . . . . . 4.5 2.0 6.0 1 1 105 1 . . . . . 4.5 2.0 6.0 1 1 106 1 . . . . . 4.5 2.0 6.0 1 1 107 1 . . . . . 4.5 2.0 6.0 1 1 108 1 . . . . . 4.5 2.0 6.0 1 1 109 1 . . . . . 4.5 2.0 6.0 1 1 110 1 . . . . . 4.5 2.0 6.0 1 1 111 1 . . . . . 4.5 2.0 6.0 1 1 112 1 . . . . . 4.5 2.0 6.0 1 1 113 1 . . . . . 4.5 2.0 6.0 1 1 114 1 . . . . . 4.5 2.0 6.0 1 1 115 1 . . . . . 4.5 2.0 6.0 1 1 116 1 . . . . . 4.5 2.0 6.0 1 1 117 1 . . . . . 4.5 2.0 6.0 1 1 118 1 . . . . . 4.5 2.0 6.0 1 1 119 1 . . . . . 4.5 2.0 6.0 1 1 120 1 . . . . . 4.5 2.0 6.0 1 1 121 1 . . . . . 4.5 2.0 6.0 1 1 122 1 . . . . . 4.5 2.0 6.0 1 1 123 1 . . . . . 4.5 2.0 6.0 1 1 124 1 . . . . . 4.5 2.0 6.0 1 1 125 1 . . . . . 4.5 2.0 6.0 1 1 126 1 . . . . . 4.5 2.0 6.0 1 1 127 1 . . . . . 4.5 2.0 6.0 1 1 128 1 . . . . . 4.5 2.0 6.0 1 1 129 1 . . . . . 2.5 2.0 3.5 1 1 130 1 . . . . . 2.5 2.0 3.5 1 1 131 1 . . . . . 2.5 2.0 3.5 1 1 132 1 . . . . . 2.5 2.0 3.5 1 1 133 1 . . . . . 2.5 2.0 3.5 1 1 134 1 . . . . . 2.5 2.0 3.5 1 1 135 1 . . . . . 2.5 2.0 3.5 1 1 136 1 . . . . . 2.5 2.0 3.5 1 1 137 1 . . . . . 2.5 2.0 3.5 1 1 138 1 . . . . . 2.5 2.0 3.5 1 1 139 1 . . . . . 2.5 2.0 3.5 1 1 140 1 . . . . . 2.5 2.0 3.5 1 1 141 1 . . . . . 3.5 2.0 4.5 1 1 142 1 . . . . . 3.5 2.0 4.5 1 1 143 1 . . . . . 3.5 2.0 4.5 1 1 144 1 . . . . . 3.5 2.0 4.5 1 1 145 1 . . . . . 3.5 2.0 4.5 1 1 146 1 . . . . . 3.5 2.0 4.5 1 1 147 1 . . . . . 3.5 2.0 4.5 1 1 148 1 . . . . . 3.5 2.0 4.5 1 1 149 1 . . . . . 3.5 2.0 4.5 1 1 150 1 . . . . . 3.5 2.0 4.5 1 1 151 1 . . . . . 3.5 2.0 4.5 1 1 152 1 . . . . . 3.5 2.0 4.5 1 1 153 1 . . . . . 3.5 2.0 4.5 1 1 154 1 . . . . . 3.5 2.0 4.5 1 1 155 1 . . . . . 3.5 2.0 4.5 1 1 156 1 . . . . . 3.5 2.0 4.5 1 1 157 1 . . . . . 3.5 2.0 4.5 1 1 158 1 . . . . . 3.5 2.0 4.5 1 1 159 1 . . . . . 3.5 2.0 4.5 1 1 160 1 . . . . . 3.5 2.0 4.5 1 1 161 1 . . . . . 3.5 2.0 4.5 1 1 162 1 . . . . . 3.5 2.0 4.5 1 1 163 1 . . . . . 3.5 2.0 4.5 1 1 164 1 . . . . . 3.5 2.0 4.5 1 1 165 1 . . . . . 3.5 2.0 4.5 1 1 166 1 . . . . . 3.5 2.0 4.5 1 1 167 1 . . . . . 3.5 2.0 4.5 1 1 168 1 . . . . . 3.5 2.0 4.5 1 1 169 1 . . . . . 3.5 2.0 4.5 1 1 170 1 . . . . . 3.5 2.0 4.5 1 1 171 1 . . . . . 3.5 2.0 4.5 1 1 172 1 . . . . . 3.5 2.0 4.5 1 1 173 1 . . . . . 3.5 2.0 4.5 1 1 174 1 . . . . . 3.5 2.0 4.5 1 1 175 1 . . . . . 3.5 2.0 4.5 1 1 176 1 . . . . . 3.5 2.0 4.5 1 1 177 1 . . . . . 3.5 2.0 4.5 1 1 178 1 . . . . . 3.5 2.0 4.5 1 1 179 1 . . . . . 3.5 2.0 4.5 1 1 180 1 . . . . . 3.5 2.0 4.5 1 1 181 1 . . . . . 3.5 2.0 4.5 1 1 182 1 . . . . . 3.5 2.0 4.5 1 1 183 1 . . . . . 3.5 2.0 4.5 1 1 184 1 . . . . . 4.5 2.0 6.0 1 1 185 1 . . . . . 4.5 2.0 6.0 1 1 186 1 . . . . . 4.5 2.0 6.0 1 1 187 1 . . . . . 4.5 2.0 6.0 1 1 188 1 . . . . . 4.5 2.0 6.0 1 1 189 1 . . . . . 4.5 2.0 6.0 1 1 190 1 . . . . . 4.5 2.0 6.0 1 1 191 1 . . . . . 4.5 2.0 6.0 1 1 192 1 . . . . . 4.5 2.0 6.0 1 1 193 1 . . . . . 4.5 2.0 6.0 1 1 194 1 . . . . . 4.5 2.0 6.0 1 1 195 1 . . . . . 4.5 2.0 6.0 1 1 196 1 . . . . . 4.5 2.0 6.0 1 1 197 1 . . . . . 4.5 2.0 6.0 1 1 198 1 . . . . . 4.5 2.0 6.0 1 1 199 1 . . . . . 4.5 2.0 6.0 1 1 200 1 . . . . . 4.5 2.0 6.0 1 1 201 1 . . . . . 4.5 2.0 6.0 1 1 202 1 . . . . . 4.5 2.0 6.0 1 1 203 1 . . . . . 4.5 2.0 6.0 1 1 204 1 . . . . . 4.5 2.0 6.0 1 1 205 1 . . . . . 4.5 2.0 6.0 1 1 206 1 . . . . . 4.5 2.0 6.0 1 1 207 1 . . . . . 4.5 2.0 6.0 1 1 208 1 . . . . . 4.5 2.0 6.0 1 1 209 1 . . . . . 4.5 2.0 6.0 1 1 210 1 . . . . . 4.5 2.0 6.0 1 1 211 1 . . . . . 3.5 2.0 4.5 1 1 212 1 . . . . . 3.5 2.0 4.5 1 1 213 1 . . . . . 3.5 2.0 4.5 1 1 214 1 . . . . . 3.5 2.0 4.5 1 1 215 1 . . . . . 3.5 2.0 4.5 1 1 216 1 . . . . . 3.5 2.0 4.5 1 1 217 1 . . . . . 3.5 2.0 4.5 1 1 218 1 . . . . . 3.5 2.0 4.5 1 1 219 1 . . . . . 3.5 2.0 4.5 1 1 220 1 . . . . . 3.5 2.0 4.5 1 1 221 1 . . . . . 3.5 2.0 4.5 1 1 222 1 . . . . . 3.5 2.0 4.5 1 1 223 1 . . . . . 3.5 2.0 4.5 1 1 224 1 . . . . . 3.5 2.0 4.5 1 1 225 1 . . . . . 3.5 2.0 4.5 1 1 226 1 . . . . . 3.5 2.0 4.5 1 1 227 1 . . . . . 3.5 2.0 4.5 1 1 228 1 . . . . . 3.5 2.0 4.5 1 1 229 1 . . . . . 3.5 2.0 4.5 1 1 230 1 . . . . . 3.5 2.0 4.5 1 1 231 1 . . . . . 3.5 2.0 4.5 1 1 232 1 . . . . . 3.5 2.0 4.5 1 1 233 1 . . . . . 4.5 2.0 6.0 1 1 234 1 . . . . . 4.5 2.0 6.0 1 1 235 1 . . . . . 4.5 2.0 6.0 1 1 236 1 . . . . . 4.5 2.0 6.0 1 1 237 1 . . . . . 4.5 2.0 6.0 1 1 238 1 . . . . . 4.5 2.0 6.0 1 1 239 1 . . . . . 4.5 2.0 6.0 1 1 240 1 . . . . . 4.5 2.0 6.0 1 1 241 1 . . . . . 4.5 2.0 6.0 1 1 242 1 . . . . . 4.5 2.0 6.0 1 1 243 1 . . . . . 4.5 2.0 6.0 1 1 244 1 . . . . . 4.5 2.0 6.0 1 1 245 1 . . . . . 4.5 2.0 6.0 1 1 246 1 . . . . . 4.5 2.0 6.0 1 1 247 1 . . . . . 4.5 2.0 6.0 1 1 248 1 . . . . . 4.5 2.0 6.0 1 1 249 1 . . . . . 4.5 2.0 6.0 1 1 250 1 . . . . . 4.5 2.0 6.0 1 1 251 1 . . . . . 4.5 2.0 6.0 1 1 252 1 . . . . . 4.5 2.0 6.0 1 1 253 1 . . . . . 4.5 2.0 6.0 1 1 254 1 . . . . . 4.5 2.0 6.0 1 1 255 1 . . . . . 4.5 2.0 6.0 1 1 256 1 . . . . . 4.5 2.0 6.0 1 1 257 1 . . . . . 4.5 2.0 6.0 1 1 258 1 . . . . . 4.5 2.0 6.0 1 1 259 1 . . . . . 4.5 2.0 6.0 1 1 260 1 . . . . . 4.5 2.0 6.0 1 1 261 1 . . . . . 4.5 2.0 6.0 1 1 262 1 . . . . . 4.5 2.0 6.0 1 1 263 1 . . . . . 4.5 2.0 6.0 1 1 264 1 . . . . . 4.5 2.0 6.0 1 1 265 1 . . . . . 4.5 2.0 6.0 1 1 266 1 . . . . . 4.5 2.0 6.0 1 1 267 1 . . . . . 4.5 2.0 6.0 1 1 268 1 . . . . . 4.5 2.0 6.0 1 1 269 1 . . . . . 4.5 2.0 6.0 1 1 270 1 . . . . . 4.5 2.0 6.0 1 1 271 1 . . . . . 4.5 2.0 6.0 1 1 272 1 . . . . . 4.5 2.0 6.0 1 1 273 1 . . . . . 4.5 2.0 6.0 1 1 274 1 . . . . . 4.5 2.0 6.0 1 1 275 1 . . . . . 4.5 2.0 6.0 1 1 276 1 . . . . . 4.5 2.0 6.0 1 1 277 1 . . . . . 4.5 2.0 6.0 1 1 278 1 . . . . . 4.5 2.0 6.0 1 1 279 1 . . . . . 4.5 2.0 6.0 1 1 280 1 . . . . . 4.5 2.0 6.0 1 1 281 1 . . . . . 4.5 2.0 6.0 1 1 282 1 . . . . . 4.5 2.0 6.0 1 1 283 1 . . . . . 4.5 2.0 6.0 1 1 284 1 . . . . . 4.5 2.0 6.0 1 1 285 1 . . . . . 4.5 2.0 6.0 1 1 286 1 . . . . . 4.5 2.0 6.0 1 1 287 1 . . . . . 4.5 2.0 6.0 1 1 288 1 . . . . . 4.5 2.0 6.0 1 1 289 1 . . . . . 4.5 2.0 6.0 1 1 290 1 . . . . . 4.5 2.0 6.0 1 1 291 1 . . . . . 4.5 2.0 6.0 1 1 292 1 . . . . . 4.5 2.0 6.0 1 1 293 1 . . . . . 4.5 2.0 6.0 1 1 294 1 . . . . . 4.5 2.0 6.0 1 1 295 1 . . . . . 4.5 2.0 6.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 . . . 1 2 35 1 . . . 1 2 36 1 . . . 1 2 37 1 . . . 1 2 38 1 . . . 1 2 39 1 . . . 1 2 40 1 . . . 1 2 41 1 . . . 1 2 42 1 . . . 1 2 43 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 3 LEU H . 61 . HN 1 2 1 1 2 1 1 3 LEU QB . 61 . HB# 1 2 1 1 2 1 1 3 LEU HG . 61 . HG 1 2 2 1 1 1 1 8 LEU H . 66 . HN 1 2 2 1 2 1 1 8 LEU QB . 66 . HB# 1 2 2 1 2 1 1 8 LEU HG . 66 . HG 1 2 3 1 1 1 1 4 LEU H . 62 . HN 1 2 3 1 2 1 1 4 LEU QB . 62 . HB# 1 2 3 1 2 1 1 4 LEU HG . 62 . HG 1 2 4 1 1 1 1 4 LEU HA . 62 . HA 1 2 4 1 2 1 1 4 LEU QB . 62 . HB# 1 2 4 1 2 1 1 4 LEU HG . 62 . HG 1 2 5 1 1 1 1 8 LEU HA . 66 . HA 1 2 5 1 2 1 1 8 LEU QB . 66 . HB# 1 2 5 1 2 1 1 8 LEU HG . 66 . HG 1 2 6 1 1 1 1 3 LEU HA . 61 . HA 1 2 6 1 2 1 1 3 LEU QB . 61 . HB# 1 2 6 1 2 1 1 3 LEU HG . 61 . HG 1 2 7 1 1 1 1 11 LEU HA . 69 . HA 1 2 7 1 2 1 1 11 LEU QB . 69 . HB# 1 2 7 1 2 1 1 11 LEU HG . 69 . HG 1 2 8 1 1 1 1 5 GLY QA . 63 . HA# 1 2 8 1 1 1 1 9 PRO QD . 67 . HD# 1 2 8 1 2 1 1 8 LEU H . 66 . HN 1 2 9 1 1 1 1 6 ARG HA . 64 . HA 1 2 9 1 1 1 1 9 PRO HA . 67 . HA 1 2 9 1 2 1 1 7 MET H . 65 . HN 1 2 10 1 1 1 1 15 LEU MD2 . 73 . HD2# 1 2 10 1 1 1 1 17 LEU MD1 . 75 . HD1# 1 2 10 1 2 1 1 18 ARG H . 76 . HN 1 2 11 1 1 1 1 15 LEU MD2 . 73 . HD2# 1 2 11 1 1 1 1 17 LEU MD1 . 75 . HD1# 1 2 11 1 2 1 1 16 VAL H . 74 . HN 1 2 12 1 1 1 1 9 PRO QB . 67 . HB# 1 2 12 1 1 1 1 11 LEU QB . 69 . HB# 1 2 12 1 2 1 1 10 GLN HA . 68 . HA 1 2 13 1 1 1 1 3 LEU QB . 61 . HB# 1 2 13 1 1 1 1 3 LEU HG . 61 . HG 1 2 13 1 2 1 1 4 LEU H . 62 . HN 1 2 14 1 1 1 1 6 ARG H . 64 . HN 1 2 14 1 1 1 1 10 GLN H . 68 . HN 1 2 14 1 2 1 1 9 PRO QD . 67 . HD# 1 2 15 1 1 1 1 8 LEU QB . 66 . HB# 1 2 15 1 1 1 1 8 LEU HG . 66 . HG 1 2 15 1 2 1 1 9 PRO QD . 67 . HD# 1 2 16 1 1 1 1 4 LEU QB . 62 . HB# 1 2 16 1 1 1 1 4 LEU HG . 62 . HG 1 2 16 1 2 1 1 5 GLY H . 63 . HN 1 2 17 1 1 1 1 8 LEU QB . 66 . HB# 1 2 17 1 1 1 1 8 LEU HG . 66 . HG 1 2 17 1 2 1 1 9 PRO QG . 67 . HG# 1 2 18 1 1 1 1 4 LEU QB . 62 . HB# 1 2 18 1 1 1 1 4 LEU HG . 62 . HG 1 2 18 1 2 1 1 7 MET H . 65 . HN 1 2 19 1 1 1 1 14 ARG HA . 72 . HA 1 2 19 1 2 1 1 15 LEU MD2 . 73 . HD2# 1 2 19 1 2 1 1 17 LEU MD1 . 75 . HD1# 1 2 20 1 1 1 1 3 LEU QB . 61 . HB# 1 2 20 1 1 1 1 3 LEU HG . 61 . HG 1 2 20 1 2 1 1 6 ARG H . 64 . HN 1 2 21 1 1 1 1 5 GLY QA . 63 . HA# 1 2 21 1 1 1 1 14 ARG HA . 72 . HA 1 2 21 1 2 1 1 7 MET H . 65 . HN 1 2 22 1 1 1 1 4 LEU QB . 62 . HB# 1 2 22 1 1 1 1 4 LEU HG . 62 . HG 1 2 22 1 1 1 1 14 ARG QG . 72 . HG# 1 2 22 1 2 1 1 6 ARG HA . 64 . HA 1 2 23 1 1 1 1 4 LEU MD1 . 62 . HD1# 1 2 23 1 1 1 1 11 LEU MD1 . 69 . HD1# 1 2 23 1 2 1 1 7 MET H . 65 . HN 1 2 24 1 1 1 1 3 LEU MD2 . 61 . HD2# 1 2 24 1 1 1 1 4 LEU MD1 . 62 . HD1# 1 2 24 1 1 1 1 11 LEU MD1 . 69 . HD1# 1 2 24 1 2 1 1 6 ARG HA . 64 . HA 1 2 24 1 2 1 1 9 PRO HA . 67 . HA 1 2 25 1 1 1 1 11 LEU MD2 . 69 . HD2# 1 2 25 1 1 1 1 12 VAL MG1 . 70 . HG1# 1 2 25 1 1 1 1 16 VAL MG1 . 74 . HG1# 1 2 25 1 2 1 1 14 ARG H . 72 . HN 1 2 26 1 1 1 1 6 ARG QD . 64 . HD# 1 2 26 1 1 1 1 14 ARG QD . 72 . HD# 1 2 26 1 1 1 1 18 ARG QD . 76 . HD# 1 2 26 1 2 1 1 14 ARG H . 72 . HN 1 2 27 1 1 1 1 4 LEU QB . 62 . HB# 1 2 27 1 1 1 1 4 LEU HG . 62 . HG 1 2 27 1 1 1 1 14 ARG QG . 72 . HG# 1 2 27 1 2 1 1 8 LEU HA . 66 . HA 1 2 28 1 1 1 1 11 LEU MD1 . 69 . HD1# 1 2 28 1 1 1 1 15 LEU MD2 . 73 . HD2# 1 2 28 1 1 1 1 17 LEU MD1 . 75 . HD1# 1 2 28 1 2 1 1 14 ARG H . 72 . HN 1 2 29 1 1 1 1 4 LEU QB . 62 . HB# 1 2 29 1 1 1 1 4 LEU HG . 62 . HG 1 2 29 1 2 1 1 8 LEU HA . 66 . HA 1 2 30 1 1 1 1 4 LEU QB . 62 . HB# 1 2 30 1 1 1 1 4 LEU HG . 62 . HG 1 2 30 1 2 1 1 6 ARG H . 64 . HN 1 2 31 1 1 1 1 5 GLY QA . 63 . HA# 1 2 31 1 1 1 1 9 PRO QD . 67 . HD# 1 2 31 1 2 1 1 11 LEU H . 69 . HN 1 2 32 1 1 1 1 6 ARG H . 64 . HN 1 2 32 1 1 1 1 10 GLN H . 68 . HN 1 2 32 1 2 1 1 7 MET H . 65 . HN 1 2 33 1 1 1 1 5 GLY QA . 63 . HA# 1 2 33 1 1 1 1 9 PRO QD . 67 . HD# 1 2 33 1 2 1 1 6 ARG H . 64 . HN 1 2 33 1 2 1 1 10 GLN H . 68 . HN 1 2 34 1 1 1 1 2 THR HA . 60 . HA 1 2 34 1 1 1 1 7 MET HA . 65 . HA 1 2 34 1 2 1 1 4 LEU H . 62 . HN 1 2 35 1 1 1 1 6 ARG H . 64 . HN 1 2 35 1 1 1 1 10 GLN H . 68 . HN 1 2 35 1 2 1 1 8 LEU H . 66 . HN 1 2 36 1 1 1 1 2 THR HA . 60 . HA 1 2 36 1 1 1 1 7 MET HA . 65 . HA 1 2 36 1 2 1 1 6 ARG H . 64 . HN 1 2 36 1 2 1 1 10 GLN H . 68 . HN 1 2 37 1 1 1 1 2 THR HA . 60 . HA 1 2 37 1 1 1 1 7 MET HA . 65 . HA 1 2 37 1 2 1 1 5 GLY H . 63 . HN 1 2 38 1 1 1 1 6 ARG HA . 64 . HA 1 2 38 1 1 1 1 9 PRO HA . 67 . HA 1 2 38 1 2 1 1 8 LEU H . 66 . HN 1 2 39 1 1 1 1 5 GLY QA . 63 . HA# 1 2 39 1 1 1 1 9 PRO QD . 67 . HD# 1 2 39 1 2 1 1 7 MET H . 65 . HN 1 2 40 1 1 1 1 6 ARG H . 64 . HN 1 2 40 1 1 1 1 10 GLN H . 68 . HN 1 2 40 1 2 1 1 8 LEU HA . 66 . HA 1 2 40 1 2 1 1 20 SER HA . 78 . HA 1 2 41 1 1 1 1 6 ARG HA . 64 . HA 1 2 41 1 1 1 1 9 PRO HA . 67 . HA 1 2 41 1 2 1 1 12 VAL H . 70 . HN 1 2 42 1 1 1 1 9 PRO QB . 67 . HB# 1 2 42 1 1 1 1 11 LEU QB . 69 . HB# 1 2 42 1 2 1 1 14 ARG H . 72 . HN 1 2 43 1 1 1 1 6 ARG HA . 64 . HA 1 2 43 1 1 1 1 9 PRO HA . 67 . HA 1 2 43 1 2 1 1 11 LEU H . 69 . HN 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.5 2.0 3.5 1 2 2 1 . . . . . 2.5 2.0 3.5 1 2 3 1 . . . . . 2.5 2.0 3.5 1 2 4 1 . . . . . 3.5 2.0 4.5 1 2 5 1 . . . . . 3.5 2.0 4.5 1 2 6 1 . . . . . 3.5 2.0 4.5 1 2 7 1 . . . . . 3.5 2.0 4.5 1 2 8 1 . . . . . 3.5 2.0 4.5 1 2 9 1 . . . . . 3.5 2.0 4.5 1 2 10 1 . . . . . 4.5 2.0 6.0 1 2 11 1 . . . . . 4.5 2.0 6.0 1 2 12 1 . . . . . 4.5 2.0 6.0 1 2 13 1 . . . . . 2.5 2.0 3.5 1 2 14 1 . . . . . 3.5 2.0 4.5 1 2 15 1 . . . . . 3.5 2.0 4.5 1 2 16 1 . . . . . 3.5 2.0 4.5 1 2 17 1 . . . . . 4.5 2.0 6.0 1 2 18 1 . . . . . 3.5 2.0 4.5 1 2 19 1 . . . . . 3.5 2.0 4.5 1 2 20 1 . . . . . 4.5 2.0 6.0 1 2 21 1 . . . . . 4.5 2.0 6.0 1 2 22 1 . . . . . 4.5 2.0 6.0 1 2 23 1 . . . . . 4.5 2.0 6.0 1 2 24 1 . . . . . 4.5 2.0 6.0 1 2 25 1 . . . . . 4.5 2.0 6.0 1 2 26 1 . . . . . 4.5 2.0 6.0 1 2 27 1 . . . . . 4.5 2.0 6.0 1 2 28 1 . . . . . 4.5 2.0 6.0 1 2 29 1 . . . . . 4.5 2.0 6.0 1 2 30 1 . . . . . 4.5 2.0 6.0 1 2 31 1 . . . . . 4.5 2.0 6.0 1 2 32 1 . . . . . 2.5 2.0 3.5 1 2 33 1 . . . . . 3.5 2.0 4.5 1 2 34 1 . . . . . 3.5 2.0 4.5 1 2 35 1 . . . . . 3.5 2.0 4.5 1 2 36 1 . . . . . 3.5 2.0 4.5 1 2 37 1 . . . . . 3.5 2.0 4.5 1 2 38 1 . . . . . 3.5 2.0 4.5 1 2 39 1 . . . . . 4.5 2.0 6.0 1 2 40 1 . . . . . 4.5 2.0 6.0 1 2 41 1 . . . . . 3.5 2.0 4.5 1 2 42 1 . . . . . 3.5 2.0 4.5 1 2 43 1 . . . . . 4.5 2.0 6.0 1 2 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 ASP C C -1.063 -9.510 3.247 1.00 . A A . 59 ASP C 1 1 1 2 1 1 1 ASP CA C -1.062 -10.743 4.144 1.00 . A A . 59 ASP CA 1 1 1 3 1 1 1 ASP CB C -2.222 -10.662 5.141 1.00 . A A . 59 ASP CB 1 1 1 4 1 1 1 ASP CG C -2.420 -12.014 5.819 1.00 . A A . 59 ASP CG 1 1 1 5 1 1 1 ASP H1 H 0.533 -11.802 4.963 1.00 . A A . 59 ASP H1 1 1 1 6 1 1 1 ASP H2 H 0.095 -10.417 5.844 1.00 . A A . 59 ASP H2 1 1 1 7 1 1 1 ASP H3 H 0.949 -10.263 4.384 1.00 . A A . 59 ASP H3 1 1 1 8 1 1 1 ASP HA H -1.173 -11.629 3.537 1.00 . A A . 59 ASP HA 1 1 1 9 1 1 1 ASP HB2 H -1.996 -9.913 5.892 1.00 . A A . 59 ASP HB2 1 1 1 10 1 1 1 ASP HB3 H -3.130 -10.391 4.612 1.00 . A A . 59 ASP HB3 1 1 1 11 1 1 1 ASP N N 0.225 -10.811 4.890 1.00 . A A . 59 ASP N 1 1 1 12 1 1 1 ASP O O -1.927 -9.361 2.383 1.00 . A A . 59 ASP O 1 1 1 13 1 1 1 ASP OD1 O -1.846 -12.982 5.346 1.00 . A A . 59 ASP OD1 1 1 1 14 1 1 1 ASP OD2 O -3.143 -12.061 6.801 1.00 . A A . 59 ASP OD2 1 1 1 15 1 1 2 THR C C 0.760 -7.702 1.355 1.00 . A A . 60 THR C 1 1 1 16 1 1 2 THR CA C 0.024 -7.416 2.658 1.00 . A A . 60 THR CA 1 1 1 17 1 1 2 THR CB C 0.777 -6.343 3.447 1.00 . A A . 60 THR CB 1 1 1 18 1 1 2 THR CG2 C 0.047 -6.067 4.763 1.00 . A A . 60 THR CG2 1 1 1 19 1 1 2 THR H H 0.575 -8.807 4.152 1.00 . A A . 60 THR H 1 1 1 20 1 1 2 THR HA H -0.966 -7.051 2.430 1.00 . A A . 60 THR HA 1 1 1 21 1 1 2 THR HB H 0.819 -5.434 2.867 1.00 . A A . 60 THR HB 1 1 1 22 1 1 2 THR HG1 H 2.112 -7.140 4.616 1.00 . A A . 60 THR HG1 1 1 1 23 1 1 2 THR HG21 H 0.692 -5.504 5.421 1.00 . A A . 60 THR HG21 1 1 1 24 1 1 2 THR HG22 H -0.216 -7.005 5.231 1.00 . A A . 60 THR HG22 1 1 1 25 1 1 2 THR HG23 H -0.851 -5.499 4.566 1.00 . A A . 60 THR HG23 1 1 1 26 1 1 2 THR N N -0.085 -8.633 3.454 1.00 . A A . 60 THR N 1 1 1 27 1 1 2 THR O O 0.740 -6.889 0.430 1.00 . A A . 60 THR O 1 1 1 28 1 1 2 THR OG1 O 2.095 -6.795 3.720 1.00 . A A . 60 THR OG1 1 1 1 29 1 1 3 LEU C C 1.161 -9.382 -1.080 1.00 . A A . 61 LEU C 1 1 1 30 1 1 3 LEU CA C 2.134 -9.237 0.082 1.00 . A A . 61 LEU CA 1 1 1 31 1 1 3 LEU CB C 2.883 -10.560 0.298 1.00 . A A . 61 LEU CB 1 1 1 32 1 1 3 LEU CD1 C 5.174 -9.481 0.443 1.00 . A A . 61 LEU CD1 1 1 1 33 1 1 3 LEU CD2 C 3.723 -9.661 2.492 1.00 . A A . 61 LEU CD2 1 1 1 34 1 1 3 LEU CG C 4.128 -10.343 1.179 1.00 . A A . 61 LEU CG 1 1 1 35 1 1 3 LEU H H 1.381 -9.475 2.049 1.00 . A A . 61 LEU H 1 1 1 36 1 1 3 LEU HA H 2.844 -8.462 -0.153 1.00 . A A . 61 LEU HA 1 1 1 37 1 1 3 LEU HB2 H 2.224 -11.265 0.783 1.00 . A A . 61 LEU HB2 1 1 1 38 1 1 3 LEU HB3 H 3.188 -10.960 -0.659 1.00 . A A . 61 LEU HB3 1 1 1 39 1 1 3 LEU HD11 H 5.003 -8.432 0.648 1.00 . A A . 61 LEU HD11 1 1 1 40 1 1 3 LEU HD12 H 5.111 -9.652 -0.622 1.00 . A A . 61 LEU HD12 1 1 1 41 1 1 3 LEU HD13 H 6.162 -9.753 0.787 1.00 . A A . 61 LEU HD13 1 1 1 42 1 1 3 LEU HD21 H 2.821 -10.117 2.872 1.00 . A A . 61 LEU HD21 1 1 1 43 1 1 3 LEU HD22 H 3.552 -8.611 2.315 1.00 . A A . 61 LEU HD22 1 1 1 44 1 1 3 LEU HD23 H 4.516 -9.778 3.216 1.00 . A A . 61 LEU HD23 1 1 1 45 1 1 3 LEU HG H 4.566 -11.305 1.402 1.00 . A A . 61 LEU HG 1 1 1 46 1 1 3 LEU N N 1.404 -8.863 1.286 1.00 . A A . 61 LEU N 1 1 1 47 1 1 3 LEU O O 1.436 -8.933 -2.193 1.00 . A A . 61 LEU O 1 1 1 48 1 1 4 LEU C C -1.518 -8.802 -2.277 1.00 . A A . 62 LEU C 1 1 1 49 1 1 4 LEU CA C -0.999 -10.163 -1.845 1.00 . A A . 62 LEU CA 1 1 1 50 1 1 4 LEU CB C -2.154 -11.012 -1.320 1.00 . A A . 62 LEU CB 1 1 1 51 1 1 4 LEU CD1 C -2.624 -11.924 -3.627 1.00 . A A . 62 LEU CD1 1 1 1 52 1 1 4 LEU CD2 C -4.377 -12.018 -1.835 1.00 . A A . 62 LEU CD2 1 1 1 53 1 1 4 LEU CG C -3.221 -11.195 -2.410 1.00 . A A . 62 LEU CG 1 1 1 54 1 1 4 LEU H H -0.163 -10.319 0.094 1.00 . A A . 62 LEU H 1 1 1 55 1 1 4 LEU HA H -0.551 -10.657 -2.692 1.00 . A A . 62 LEU HA 1 1 1 56 1 1 4 LEU HB2 H -1.780 -11.978 -1.018 1.00 . A A . 62 LEU HB2 1 1 1 57 1 1 4 LEU HB3 H -2.598 -10.516 -0.469 1.00 . A A . 62 LEU HB3 1 1 1 58 1 1 4 LEU HD11 H -3.410 -12.426 -4.177 1.00 . A A . 62 LEU HD11 1 1 1 59 1 1 4 LEU HD12 H -1.897 -12.652 -3.298 1.00 . A A . 62 LEU HD12 1 1 1 60 1 1 4 LEU HD13 H -2.144 -11.204 -4.276 1.00 . A A . 62 LEU HD13 1 1 1 61 1 1 4 LEU HD21 H -5.008 -12.361 -2.641 1.00 . A A . 62 LEU HD21 1 1 1 62 1 1 4 LEU HD22 H -4.953 -11.404 -1.162 1.00 . A A . 62 LEU HD22 1 1 1 63 1 1 4 LEU HD23 H -3.983 -12.868 -1.300 1.00 . A A . 62 LEU HD23 1 1 1 64 1 1 4 LEU HG H -3.591 -10.227 -2.721 1.00 . A A . 62 LEU HG 1 1 1 65 1 1 4 LEU N N 0.012 -9.992 -0.812 1.00 . A A . 62 LEU N 1 1 1 66 1 1 4 LEU O O -1.667 -8.528 -3.468 1.00 . A A . 62 LEU O 1 1 1 67 1 1 5 GLY C C -1.249 -5.903 -2.459 1.00 . A A . 63 GLY C 1 1 1 68 1 1 5 GLY CA C -2.266 -6.608 -1.587 1.00 . A A . 63 GLY CA 1 1 1 69 1 1 5 GLY H H -1.635 -8.211 -0.365 1.00 . A A . 63 GLY H 1 1 1 70 1 1 5 GLY HA2 H -3.215 -6.675 -2.112 1.00 . A A . 63 GLY HA2 1 1 1 71 1 1 5 GLY HA3 H -2.389 -6.056 -0.661 1.00 . A A . 63 GLY HA3 1 1 1 72 1 1 5 GLY N N -1.778 -7.943 -1.296 1.00 . A A . 63 GLY N 1 1 1 73 1 1 5 GLY O O -1.584 -5.012 -3.236 1.00 . A A . 63 GLY O 1 1 1 74 1 1 6 ARG C C 1.024 -6.314 -4.548 1.00 . A A . 64 ARG C 1 1 1 75 1 1 6 ARG CA C 1.074 -5.751 -3.127 1.00 . A A . 64 ARG CA 1 1 1 76 1 1 6 ARG CB C 2.435 -6.059 -2.483 1.00 . A A . 64 ARG CB 1 1 1 77 1 1 6 ARG CD C 4.807 -5.305 -2.243 1.00 . A A . 64 ARG CD 1 1 1 78 1 1 6 ARG CG C 3.491 -5.065 -2.983 1.00 . A A . 64 ARG CG 1 1 1 79 1 1 6 ARG CZ C 5.609 -5.322 0.049 1.00 . A A . 64 ARG CZ 1 1 1 80 1 1 6 ARG H H 0.207 -7.053 -1.700 1.00 . A A . 64 ARG H 1 1 1 81 1 1 6 ARG HA H 0.935 -4.684 -3.168 1.00 . A A . 64 ARG HA 1 1 1 82 1 1 6 ARG HB2 H 2.349 -5.978 -1.410 1.00 . A A . 64 ARG HB2 1 1 1 83 1 1 6 ARG HB3 H 2.740 -7.061 -2.743 1.00 . A A . 64 ARG HB3 1 1 1 84 1 1 6 ARG HD2 H 5.119 -6.327 -2.389 1.00 . A A . 64 ARG HD2 1 1 1 85 1 1 6 ARG HD3 H 5.564 -4.641 -2.636 1.00 . A A . 64 ARG HD3 1 1 1 86 1 1 6 ARG HE H 3.791 -4.682 -0.490 1.00 . A A . 64 ARG HE 1 1 1 87 1 1 6 ARG HG2 H 3.645 -5.203 -4.043 1.00 . A A . 64 ARG HG2 1 1 1 88 1 1 6 ARG HG3 H 3.156 -4.057 -2.797 1.00 . A A . 64 ARG HG3 1 1 1 89 1 1 6 ARG HH11 H 6.870 -6.007 -1.347 1.00 . A A . 64 ARG HH11 1 1 1 90 1 1 6 ARG HH12 H 7.470 -6.025 0.278 1.00 . A A . 64 ARG HH12 1 1 1 91 1 1 6 ARG HH21 H 4.570 -4.703 1.643 1.00 . A A . 64 ARG HH21 1 1 1 92 1 1 6 ARG HH22 H 6.167 -5.287 1.971 1.00 . A A . 64 ARG HH22 1 1 1 93 1 1 6 ARG N N 0.004 -6.328 -2.332 1.00 . A A . 64 ARG N 1 1 1 94 1 1 6 ARG NE N 4.636 -5.056 -0.816 1.00 . A A . 64 ARG NE 1 1 1 95 1 1 6 ARG NH1 N 6.738 -5.824 -0.373 1.00 . A A . 64 ARG NH1 1 1 1 96 1 1 6 ARG NH2 N 5.435 -5.085 1.320 1.00 . A A . 64 ARG NH2 1 1 1 97 1 1 6 ARG O O 2.051 -6.457 -5.209 1.00 . A A . 64 ARG O 1 1 1 98 1 1 7 MET C C -1.761 -6.833 -6.879 1.00 . A A . 65 MET C 1 1 1 99 1 1 7 MET CA C -0.370 -7.180 -6.352 1.00 . A A . 65 MET CA 1 1 1 100 1 1 7 MET CB C -0.192 -8.704 -6.324 1.00 . A A . 65 MET CB 1 1 1 101 1 1 7 MET CE C 1.603 -9.282 -9.984 1.00 . A A . 65 MET CE 1 1 1 102 1 1 7 MET CG C 0.078 -9.226 -7.739 1.00 . A A . 65 MET CG 1 1 1 103 1 1 7 MET H H -0.971 -6.503 -4.431 1.00 . A A . 65 MET H 1 1 1 104 1 1 7 MET HA H 0.370 -6.751 -7.012 1.00 . A A . 65 MET HA 1 1 1 105 1 1 7 MET HB2 H 0.641 -8.954 -5.684 1.00 . A A . 65 MET HB2 1 1 1 106 1 1 7 MET HB3 H -1.091 -9.165 -5.939 1.00 . A A . 65 MET HB3 1 1 1 107 1 1 7 MET HE1 H 1.252 -10.305 -9.985 1.00 . A A . 65 MET HE1 1 1 1 108 1 1 7 MET HE2 H 2.575 -9.237 -10.451 1.00 . A A . 65 MET HE2 1 1 1 109 1 1 7 MET HE3 H 0.914 -8.657 -10.536 1.00 . A A . 65 MET HE3 1 1 1 110 1 1 7 MET HG2 H 0.038 -10.311 -7.735 1.00 . A A . 65 MET HG2 1 1 1 111 1 1 7 MET HG3 H -0.672 -8.832 -8.417 1.00 . A A . 65 MET HG3 1 1 1 112 1 1 7 MET N N -0.186 -6.632 -5.008 1.00 . A A . 65 MET N 1 1 1 113 1 1 7 MET O O -1.909 -6.390 -8.019 1.00 . A A . 65 MET O 1 1 1 114 1 1 7 MET SD S 1.721 -8.690 -8.279 1.00 . A A . 65 MET SD 1 1 1 115 1 1 8 LEU C C -4.800 -5.853 -5.316 1.00 . A A . 66 LEU C 1 1 1 116 1 1 8 LEU CA C -4.157 -6.697 -6.408 1.00 . A A . 66 LEU CA 1 1 1 117 1 1 8 LEU CB C -4.956 -7.993 -6.586 1.00 . A A . 66 LEU CB 1 1 1 118 1 1 8 LEU CD1 C -5.010 -10.228 -7.704 1.00 . A A . 66 LEU CD1 1 1 1 119 1 1 8 LEU CD2 C -4.445 -8.189 -9.049 1.00 . A A . 66 LEU CD2 1 1 1 120 1 1 8 LEU CG C -4.311 -8.865 -7.673 1.00 . A A . 66 LEU CG 1 1 1 121 1 1 8 LEU H H -2.592 -7.356 -5.136 1.00 . A A . 66 LEU H 1 1 1 122 1 1 8 LEU HA H -4.179 -6.140 -7.332 1.00 . A A . 66 LEU HA 1 1 1 123 1 1 8 LEU HB2 H -4.966 -8.536 -5.652 1.00 . A A . 66 LEU HB2 1 1 1 124 1 1 8 LEU HB3 H -5.968 -7.755 -6.872 1.00 . A A . 66 LEU HB3 1 1 1 125 1 1 8 LEU HD11 H -4.638 -10.803 -8.539 1.00 . A A . 66 LEU HD11 1 1 1 126 1 1 8 LEU HD12 H -6.075 -10.084 -7.811 1.00 . A A . 66 LEU HD12 1 1 1 127 1 1 8 LEU HD13 H -4.808 -10.757 -6.785 1.00 . A A . 66 LEU HD13 1 1 1 128 1 1 8 LEU HD21 H -5.409 -7.709 -9.129 1.00 . A A . 66 LEU HD21 1 1 1 129 1 1 8 LEU HD22 H -4.350 -8.931 -9.830 1.00 . A A . 66 LEU HD22 1 1 1 130 1 1 8 LEU HD23 H -3.666 -7.451 -9.166 1.00 . A A . 66 LEU HD23 1 1 1 131 1 1 8 LEU HG H -3.264 -9.006 -7.441 1.00 . A A . 66 LEU HG 1 1 1 132 1 1 8 LEU N N -2.776 -7.015 -6.035 1.00 . A A . 66 LEU N 1 1 1 133 1 1 8 LEU O O -5.795 -6.257 -4.711 1.00 . A A . 66 LEU O 1 1 1 134 1 1 9 PRO C C -6.081 -3.104 -4.442 1.00 . A A . 67 PRO C 1 1 1 135 1 1 9 PRO CA C -4.783 -3.776 -4.006 1.00 . A A . 67 PRO CA 1 1 1 136 1 1 9 PRO CB C -3.652 -2.758 -3.820 1.00 . A A . 67 PRO CB 1 1 1 137 1 1 9 PRO CD C -3.068 -4.126 -5.725 1.00 . A A . 67 PRO CD 1 1 1 138 1 1 9 PRO CG C -2.975 -2.706 -5.153 1.00 . A A . 67 PRO CG 1 1 1 139 1 1 9 PRO HA H -4.937 -4.321 -3.091 1.00 . A A . 67 PRO HA 1 1 1 140 1 1 9 PRO HB2 H -4.056 -1.782 -3.554 1.00 . A A . 67 PRO HB2 1 1 1 141 1 1 9 PRO HB3 H -2.954 -3.103 -3.063 1.00 . A A . 67 PRO HB3 1 1 1 142 1 1 9 PRO HD2 H -3.213 -4.093 -6.797 1.00 . A A . 67 PRO HD2 1 1 1 143 1 1 9 PRO HD3 H -2.188 -4.696 -5.475 1.00 . A A . 67 PRO HD3 1 1 1 144 1 1 9 PRO HG2 H -3.491 -2.002 -5.804 1.00 . A A . 67 PRO HG2 1 1 1 145 1 1 9 PRO HG3 H -1.932 -2.423 -5.038 1.00 . A A . 67 PRO HG3 1 1 1 146 1 1 9 PRO N N -4.253 -4.694 -5.053 1.00 . A A . 67 PRO N 1 1 1 147 1 1 9 PRO O O -6.881 -2.673 -3.611 1.00 . A A . 67 PRO O 1 1 1 148 1 1 10 GLN C C -8.421 -3.466 -6.859 1.00 . A A . 68 GLN C 1 1 1 149 1 1 10 GLN CA C -7.487 -2.399 -6.309 1.00 . A A . 68 GLN CA 1 1 1 150 1 1 10 GLN CB C -7.122 -1.403 -7.411 1.00 . A A . 68 GLN CB 1 1 1 151 1 1 10 GLN CD C -5.992 -1.105 -9.625 1.00 . A A . 68 GLN CD 1 1 1 152 1 1 10 GLN CG C -6.347 -2.108 -8.532 1.00 . A A . 68 GLN CG 1 1 1 153 1 1 10 GLN H H -5.608 -3.385 -6.361 1.00 . A A . 68 GLN H 1 1 1 154 1 1 10 GLN HA H -8.006 -1.865 -5.524 1.00 . A A . 68 GLN HA 1 1 1 155 1 1 10 GLN HB2 H -8.033 -0.976 -7.818 1.00 . A A . 68 GLN HB2 1 1 1 156 1 1 10 GLN HB3 H -6.505 -0.616 -6.990 1.00 . A A . 68 GLN HB3 1 1 1 157 1 1 10 GLN HE21 H -4.035 -1.445 -9.495 1.00 . A A . 68 GLN HE21 1 1 1 158 1 1 10 GLN HE22 H -4.507 -0.281 -10.661 1.00 . A A . 68 GLN HE22 1 1 1 159 1 1 10 GLN HG2 H -5.440 -2.531 -8.132 1.00 . A A . 68 GLN HG2 1 1 1 160 1 1 10 GLN HG3 H -6.955 -2.893 -8.953 1.00 . A A . 68 GLN HG3 1 1 1 161 1 1 10 GLN N N -6.283 -3.019 -5.755 1.00 . A A . 68 GLN N 1 1 1 162 1 1 10 GLN NE2 N -4.742 -0.929 -9.955 1.00 . A A . 68 GLN NE2 1 1 1 163 1 1 10 GLN O O -9.007 -3.307 -7.930 1.00 . A A . 68 GLN O 1 1 1 164 1 1 10 GLN OE1 O -6.877 -0.467 -10.196 1.00 . A A . 68 GLN OE1 1 1 1 165 1 1 11 LEU C C -9.612 -6.637 -5.382 1.00 . A A . 69 LEU C 1 1 1 166 1 1 11 LEU CA C -9.427 -5.644 -6.526 1.00 . A A . 69 LEU CA 1 1 1 167 1 1 11 LEU CB C -8.825 -6.347 -7.759 1.00 . A A . 69 LEU CB 1 1 1 168 1 1 11 LEU CD1 C -9.323 -7.471 -9.938 1.00 . A A . 69 LEU CD1 1 1 1 169 1 1 11 LEU CD2 C -10.587 -8.130 -7.888 1.00 . A A . 69 LEU CD2 1 1 1 170 1 1 11 LEU CG C -9.931 -6.962 -8.631 1.00 . A A . 69 LEU CG 1 1 1 171 1 1 11 LEU H H -8.065 -4.622 -5.267 1.00 . A A . 69 LEU H 1 1 1 172 1 1 11 LEU HA H -10.391 -5.232 -6.786 1.00 . A A . 69 LEU HA 1 1 1 173 1 1 11 LEU HB2 H -8.276 -5.625 -8.344 1.00 . A A . 69 LEU HB2 1 1 1 174 1 1 11 LEU HB3 H -8.149 -7.127 -7.440 1.00 . A A . 69 LEU HB3 1 1 1 175 1 1 11 LEU HD11 H -8.663 -8.300 -9.731 1.00 . A A . 69 LEU HD11 1 1 1 176 1 1 11 LEU HD12 H -8.762 -6.675 -10.408 1.00 . A A . 69 LEU HD12 1 1 1 177 1 1 11 LEU HD13 H -10.111 -7.795 -10.601 1.00 . A A . 69 LEU HD13 1 1 1 178 1 1 11 LEU HD21 H -9.822 -8.759 -7.456 1.00 . A A . 69 LEU HD21 1 1 1 179 1 1 11 LEU HD22 H -11.178 -8.710 -8.581 1.00 . A A . 69 LEU HD22 1 1 1 180 1 1 11 LEU HD23 H -11.223 -7.748 -7.105 1.00 . A A . 69 LEU HD23 1 1 1 181 1 1 11 LEU HG H -10.676 -6.211 -8.854 1.00 . A A . 69 LEU HG 1 1 1 182 1 1 11 LEU N N -8.560 -4.552 -6.112 1.00 . A A . 69 LEU N 1 1 1 183 1 1 11 LEU O O -10.699 -6.732 -4.815 1.00 . A A . 69 LEU O 1 1 1 184 1 1 12 VAL C C -8.953 -7.588 -2.632 1.00 . A A . 70 VAL C 1 1 1 185 1 1 12 VAL CA C -8.682 -8.325 -3.936 1.00 . A A . 70 VAL CA 1 1 1 186 1 1 12 VAL CB C -7.398 -9.146 -3.810 1.00 . A A . 70 VAL CB 1 1 1 187 1 1 12 VAL CG1 C -7.458 -9.993 -2.533 1.00 . A A . 70 VAL CG1 1 1 1 188 1 1 12 VAL CG2 C -7.267 -10.065 -5.025 1.00 . A A . 70 VAL CG2 1 1 1 189 1 1 12 VAL H H -7.703 -7.257 -5.492 1.00 . A A . 70 VAL H 1 1 1 190 1 1 12 VAL HA H -9.507 -8.992 -4.141 1.00 . A A . 70 VAL HA 1 1 1 191 1 1 12 VAL HB H -6.548 -8.478 -3.762 1.00 . A A . 70 VAL HB 1 1 1 192 1 1 12 VAL HG11 H -8.431 -10.454 -2.453 1.00 . A A . 70 VAL HG11 1 1 1 193 1 1 12 VAL HG12 H -7.289 -9.360 -1.673 1.00 . A A . 70 VAL HG12 1 1 1 194 1 1 12 VAL HG13 H -6.699 -10.757 -2.574 1.00 . A A . 70 VAL HG13 1 1 1 195 1 1 12 VAL HG21 H -8.062 -10.796 -5.011 1.00 . A A . 70 VAL HG21 1 1 1 196 1 1 12 VAL HG22 H -6.313 -10.568 -4.996 1.00 . A A . 70 VAL HG22 1 1 1 197 1 1 12 VAL HG23 H -7.337 -9.476 -5.929 1.00 . A A . 70 VAL HG23 1 1 1 198 1 1 12 VAL N N -8.562 -7.370 -5.030 1.00 . A A . 70 VAL N 1 1 1 199 1 1 12 VAL O O -9.889 -7.909 -1.902 1.00 . A A . 70 VAL O 1 1 1 200 1 1 13 CYS C C -9.562 -4.977 -1.235 1.00 . A A . 71 CYS C 1 1 1 201 1 1 13 CYS CA C -8.280 -5.787 -1.160 1.00 . A A . 71 CYS CA 1 1 1 202 1 1 13 CYS CB C -7.090 -4.846 -0.997 1.00 . A A . 71 CYS CB 1 1 1 203 1 1 13 CYS H H -7.412 -6.376 -2.986 1.00 . A A . 71 CYS H 1 1 1 204 1 1 13 CYS HA H -8.322 -6.441 -0.306 1.00 . A A . 71 CYS HA 1 1 1 205 1 1 13 CYS HB2 H -6.929 -4.306 -1.921 1.00 . A A . 71 CYS HB2 1 1 1 206 1 1 13 CYS HB3 H -7.294 -4.145 -0.192 1.00 . A A . 71 CYS HB3 1 1 1 207 1 1 13 CYS HG H -5.783 -6.724 -0.825 1.00 . A A . 71 CYS HG 1 1 1 208 1 1 13 CYS N N -8.129 -6.586 -2.359 1.00 . A A . 71 CYS N 1 1 1 209 1 1 13 CYS O O -10.252 -4.788 -0.236 1.00 . A A . 71 CYS O 1 1 1 210 1 1 13 CYS SG S -5.612 -5.809 -0.593 1.00 . A A . 71 CYS SG 1 1 1 211 1 1 14 ARG C C -12.313 -4.434 -2.236 1.00 . A A . 72 ARG C 1 1 1 212 1 1 14 ARG CA C -11.052 -3.660 -2.612 1.00 . A A . 72 ARG CA 1 1 1 213 1 1 14 ARG CB C -11.140 -3.196 -4.071 1.00 . A A . 72 ARG CB 1 1 1 214 1 1 14 ARG CD C -12.155 -0.953 -3.484 1.00 . A A . 72 ARG CD 1 1 1 215 1 1 14 ARG CG C -12.349 -2.261 -4.271 1.00 . A A . 72 ARG CG 1 1 1 216 1 1 14 ARG CZ C -12.544 -0.108 -1.240 1.00 . A A . 72 ARG CZ 1 1 1 217 1 1 14 ARG H H -9.268 -4.643 -3.189 1.00 . A A . 72 ARG H 1 1 1 218 1 1 14 ARG HA H -10.965 -2.799 -1.982 1.00 . A A . 72 ARG HA 1 1 1 219 1 1 14 ARG HB2 H -10.233 -2.671 -4.336 1.00 . A A . 72 ARG HB2 1 1 1 220 1 1 14 ARG HB3 H -11.251 -4.059 -4.712 1.00 . A A . 72 ARG HB3 1 1 1 221 1 1 14 ARG HD2 H -11.110 -0.685 -3.473 1.00 . A A . 72 ARG HD2 1 1 1 222 1 1 14 ARG HD3 H -12.717 -0.163 -3.963 1.00 . A A . 72 ARG HD3 1 1 1 223 1 1 14 ARG HE H -12.998 -1.969 -1.822 1.00 . A A . 72 ARG HE 1 1 1 224 1 1 14 ARG HG2 H -12.445 -2.033 -5.323 1.00 . A A . 72 ARG HG2 1 1 1 225 1 1 14 ARG HG3 H -13.249 -2.752 -3.934 1.00 . A A . 72 ARG HG3 1 1 1 226 1 1 14 ARG HH11 H -11.734 1.169 -2.552 1.00 . A A . 72 ARG HH11 1 1 1 227 1 1 14 ARG HH12 H -11.992 1.796 -0.958 1.00 . A A . 72 ARG HH12 1 1 1 228 1 1 14 ARG HH21 H -13.336 -1.154 0.273 1.00 . A A . 72 ARG HH21 1 1 1 229 1 1 14 ARG HH22 H -12.898 0.481 0.641 1.00 . A A . 72 ARG HH22 1 1 1 230 1 1 14 ARG N N -9.863 -4.476 -2.429 1.00 . A A . 72 ARG N 1 1 1 231 1 1 14 ARG NE N -12.624 -1.110 -2.110 1.00 . A A . 72 ARG NE 1 1 1 232 1 1 14 ARG NH1 N -12.052 1.042 -1.612 1.00 . A A . 72 ARG NH1 1 1 1 233 1 1 14 ARG NH2 N -12.958 -0.273 -0.013 1.00 . A A . 72 ARG NH2 1 1 1 234 1 1 14 ARG O O -13.143 -3.945 -1.473 1.00 . A A . 72 ARG O 1 1 1 235 1 1 15 LEU C C -13.587 -6.892 -0.987 1.00 . A A . 73 LEU C 1 1 1 236 1 1 15 LEU CA C -13.616 -6.465 -2.452 1.00 . A A . 73 LEU CA 1 1 1 237 1 1 15 LEU CB C -13.651 -7.702 -3.374 1.00 . A A . 73 LEU CB 1 1 1 238 1 1 15 LEU CD1 C -13.782 -6.295 -5.454 1.00 . A A . 73 LEU CD1 1 1 1 239 1 1 15 LEU CD2 C -14.561 -8.664 -5.489 1.00 . A A . 73 LEU CD2 1 1 1 240 1 1 15 LEU CG C -14.465 -7.398 -4.642 1.00 . A A . 73 LEU CG 1 1 1 241 1 1 15 LEU H H -11.754 -5.993 -3.353 1.00 . A A . 73 LEU H 1 1 1 242 1 1 15 LEU HA H -14.505 -5.877 -2.618 1.00 . A A . 73 LEU HA 1 1 1 243 1 1 15 LEU HB2 H -12.638 -7.964 -3.658 1.00 . A A . 73 LEU HB2 1 1 1 244 1 1 15 LEU HB3 H -14.112 -8.539 -2.853 1.00 . A A . 73 LEU HB3 1 1 1 245 1 1 15 LEU HD11 H -13.647 -5.420 -4.837 1.00 . A A . 73 LEU HD11 1 1 1 246 1 1 15 LEU HD12 H -14.399 -6.042 -6.305 1.00 . A A . 73 LEU HD12 1 1 1 247 1 1 15 LEU HD13 H -12.822 -6.643 -5.798 1.00 . A A . 73 LEU HD13 1 1 1 248 1 1 15 LEU HD21 H -15.244 -8.495 -6.308 1.00 . A A . 73 LEU HD21 1 1 1 249 1 1 15 LEU HD22 H -14.923 -9.474 -4.877 1.00 . A A . 73 LEU HD22 1 1 1 250 1 1 15 LEU HD23 H -13.584 -8.910 -5.877 1.00 . A A . 73 LEU HD23 1 1 1 251 1 1 15 LEU HG H -15.459 -7.076 -4.364 1.00 . A A . 73 LEU HG 1 1 1 252 1 1 15 LEU N N -12.449 -5.644 -2.761 1.00 . A A . 73 LEU N 1 1 1 253 1 1 15 LEU O O -14.609 -6.874 -0.301 1.00 . A A . 73 LEU O 1 1 1 254 1 1 16 VAL C C -12.539 -6.599 1.847 1.00 . A A . 74 VAL C 1 1 1 255 1 1 16 VAL CA C -12.243 -7.724 0.856 1.00 . A A . 74 VAL CA 1 1 1 256 1 1 16 VAL CB C -10.813 -8.241 1.048 1.00 . A A . 74 VAL CB 1 1 1 257 1 1 16 VAL CG1 C -10.536 -8.468 2.540 1.00 . A A . 74 VAL CG1 1 1 1 258 1 1 16 VAL CG2 C -10.653 -9.570 0.298 1.00 . A A . 74 VAL CG2 1 1 1 259 1 1 16 VAL H H -11.632 -7.280 -1.121 1.00 . A A . 74 VAL H 1 1 1 260 1 1 16 VAL HA H -12.929 -8.536 1.042 1.00 . A A . 74 VAL HA 1 1 1 261 1 1 16 VAL HB H -10.116 -7.515 0.649 1.00 . A A . 74 VAL HB 1 1 1 262 1 1 16 VAL HG11 H -10.401 -7.515 3.031 1.00 . A A . 74 VAL HG11 1 1 1 263 1 1 16 VAL HG12 H -9.644 -9.064 2.656 1.00 . A A . 74 VAL HG12 1 1 1 264 1 1 16 VAL HG13 H -11.374 -8.984 2.986 1.00 . A A . 74 VAL HG13 1 1 1 265 1 1 16 VAL HG21 H -11.110 -9.491 -0.678 1.00 . A A . 74 VAL HG21 1 1 1 266 1 1 16 VAL HG22 H -11.134 -10.359 0.856 1.00 . A A . 74 VAL HG22 1 1 1 267 1 1 16 VAL HG23 H -9.603 -9.796 0.187 1.00 . A A . 74 VAL HG23 1 1 1 268 1 1 16 VAL N N -12.408 -7.282 -0.522 1.00 . A A . 74 VAL N 1 1 1 269 1 1 16 VAL O O -13.270 -6.801 2.817 1.00 . A A . 74 VAL O 1 1 1 270 1 1 17 LEU C C -13.691 -3.946 2.515 1.00 . A A . 75 LEU C 1 1 1 271 1 1 17 LEU CA C -12.214 -4.299 2.513 1.00 . A A . 75 LEU CA 1 1 1 272 1 1 17 LEU CB C -11.389 -3.081 2.085 1.00 . A A . 75 LEU CB 1 1 1 273 1 1 17 LEU CD1 C -9.077 -2.218 1.689 1.00 . A A . 75 LEU CD1 1 1 1 274 1 1 17 LEU CD2 C -9.617 -3.324 3.881 1.00 . A A . 75 LEU CD2 1 1 1 275 1 1 17 LEU CG C -9.896 -3.326 2.362 1.00 . A A . 75 LEU CG 1 1 1 276 1 1 17 LEU H H -11.403 -5.300 0.827 1.00 . A A . 75 LEU H 1 1 1 277 1 1 17 LEU HA H -11.926 -4.586 3.510 1.00 . A A . 75 LEU HA 1 1 1 278 1 1 17 LEU HB2 H -11.531 -2.914 1.022 1.00 . A A . 75 LEU HB2 1 1 1 279 1 1 17 LEU HB3 H -11.722 -2.208 2.637 1.00 . A A . 75 LEU HB3 1 1 1 280 1 1 17 LEU HD11 H -9.491 -1.256 1.952 1.00 . A A . 75 LEU HD11 1 1 1 281 1 1 17 LEU HD12 H -9.112 -2.344 0.618 1.00 . A A . 75 LEU HD12 1 1 1 282 1 1 17 LEU HD13 H -8.052 -2.273 2.026 1.00 . A A . 75 LEU HD13 1 1 1 283 1 1 17 LEU HD21 H -8.590 -3.037 4.063 1.00 . A A . 75 LEU HD21 1 1 1 284 1 1 17 LEU HD22 H -9.778 -4.314 4.278 1.00 . A A . 75 LEU HD22 1 1 1 285 1 1 17 LEU HD23 H -10.276 -2.627 4.379 1.00 . A A . 75 LEU HD23 1 1 1 286 1 1 17 LEU HG H -9.608 -4.281 1.947 1.00 . A A . 75 LEU HG 1 1 1 287 1 1 17 LEU N N -11.977 -5.418 1.610 1.00 . A A . 75 LEU N 1 1 1 288 1 1 17 LEU O O -14.288 -3.720 3.569 1.00 . A A . 75 LEU O 1 1 1 289 1 1 18 ARG C C -16.535 -4.706 1.897 1.00 . A A . 76 ARG C 1 1 1 290 1 1 18 ARG CA C -15.704 -3.629 1.210 1.00 . A A . 76 ARG CA 1 1 1 291 1 1 18 ARG CB C -16.101 -3.519 -0.263 1.00 . A A . 76 ARG CB 1 1 1 292 1 1 18 ARG CD C -15.806 -2.183 -2.356 1.00 . A A . 76 ARG CD 1 1 1 293 1 1 18 ARG CG C -15.527 -2.228 -0.853 1.00 . A A . 76 ARG CG 1 1 1 294 1 1 18 ARG CZ C -15.386 -0.694 -4.227 1.00 . A A . 76 ARG CZ 1 1 1 295 1 1 18 ARG H H -13.762 -4.132 0.524 1.00 . A A . 76 ARG H 1 1 1 296 1 1 18 ARG HA H -15.896 -2.686 1.692 1.00 . A A . 76 ARG HA 1 1 1 297 1 1 18 ARG HB2 H -15.707 -4.369 -0.804 1.00 . A A . 76 ARG HB2 1 1 1 298 1 1 18 ARG HB3 H -17.177 -3.505 -0.348 1.00 . A A . 76 ARG HB3 1 1 1 299 1 1 18 ARG HD2 H -15.308 -3.010 -2.838 1.00 . A A . 76 ARG HD2 1 1 1 300 1 1 18 ARG HD3 H -16.871 -2.262 -2.522 1.00 . A A . 76 ARG HD3 1 1 1 301 1 1 18 ARG HE H -14.931 -0.253 -2.330 1.00 . A A . 76 ARG HE 1 1 1 302 1 1 18 ARG HG2 H -15.992 -1.379 -0.375 1.00 . A A . 76 ARG HG2 1 1 1 303 1 1 18 ARG HG3 H -14.463 -2.195 -0.684 1.00 . A A . 76 ARG HG3 1 1 1 304 1 1 18 ARG HH11 H -16.245 -2.451 -4.657 1.00 . A A . 76 ARG HH11 1 1 1 305 1 1 18 ARG HH12 H -15.952 -1.409 -6.010 1.00 . A A . 76 ARG HH12 1 1 1 306 1 1 18 ARG HH21 H -14.544 1.118 -4.099 1.00 . A A . 76 ARG HH21 1 1 1 307 1 1 18 ARG HH22 H -14.990 0.611 -5.693 1.00 . A A . 76 ARG HH22 1 1 1 308 1 1 18 ARG N N -14.285 -3.926 1.329 1.00 . A A . 76 ARG N 1 1 1 309 1 1 18 ARG NE N -15.317 -0.931 -2.922 1.00 . A A . 76 ARG NE 1 1 1 310 1 1 18 ARG NH1 N -15.901 -1.589 -5.027 1.00 . A A . 76 ARG NH1 1 1 1 311 1 1 18 ARG NH2 N -14.938 0.433 -4.711 1.00 . A A . 76 ARG NH2 1 1 1 312 1 1 18 ARG O O -17.537 -4.411 2.548 1.00 . A A . 76 ARG O 1 1 1 313 1 1 19 CYS C C -16.845 -6.936 3.868 1.00 . A A . 77 CYS C 1 1 1 314 1 1 19 CYS CA C -16.814 -7.076 2.350 1.00 . A A . 77 CYS CA 1 1 1 315 1 1 19 CYS CB C -16.123 -8.386 1.968 1.00 . A A . 77 CYS CB 1 1 1 316 1 1 19 CYS H H -15.304 -6.126 1.214 1.00 . A A . 77 CYS H 1 1 1 317 1 1 19 CYS HA H -17.827 -7.096 1.978 1.00 . A A . 77 CYS HA 1 1 1 318 1 1 19 CYS HB2 H -16.117 -8.490 0.886 1.00 . A A . 77 CYS HB2 1 1 1 319 1 1 19 CYS HB3 H -15.104 -8.380 2.343 1.00 . A A . 77 CYS HB3 1 1 1 320 1 1 19 CYS HG H -17.787 -9.415 3.161 1.00 . A A . 77 CYS HG 1 1 1 321 1 1 19 CYS N N -16.108 -5.955 1.745 1.00 . A A . 77 CYS N 1 1 1 322 1 1 19 CYS O O -17.893 -7.090 4.493 1.00 . A A . 77 CYS O 1 1 1 323 1 1 19 CYS SG S -17.025 -9.771 2.701 1.00 . A A . 77 CYS SG 1 1 1 324 1 1 20 SER C C -16.485 -5.337 6.371 1.00 . A A . 78 SER C 1 1 1 325 1 1 20 SER CA C -15.596 -6.484 5.902 1.00 . A A . 78 SER CA 1 1 1 326 1 1 20 SER CB C -14.148 -6.207 6.305 1.00 . A A . 78 SER CB 1 1 1 327 1 1 20 SER H H -14.884 -6.531 3.906 1.00 . A A . 78 SER H 1 1 1 328 1 1 20 SER HA H -15.923 -7.396 6.376 1.00 . A A . 78 SER HA 1 1 1 329 1 1 20 SER HB2 H -13.524 -7.041 6.011 1.00 . A A . 78 SER HB2 1 1 1 330 1 1 20 SER HB3 H -13.804 -5.300 5.812 1.00 . A A . 78 SER HB3 1 1 1 331 1 1 20 SER HG H -13.176 -6.227 7.990 1.00 . A A . 78 SER HG 1 1 1 332 1 1 20 SER N N -15.688 -6.643 4.454 1.00 . A A . 78 SER N 1 1 1 333 1 1 20 SER O O -17.192 -5.455 7.372 1.00 . A A . 78 SER O 1 1 1 334 1 1 20 SER OG O -14.078 -6.049 7.716 1.00 . A A . 78 SER OG 1 1 1 335 1 1 21 MET C C -17.563 -2.239 4.737 1.00 . A A . 79 MET C 1 1 1 336 1 1 21 MET CA C -17.248 -3.055 5.987 1.00 . A A . 79 MET CA 1 1 1 337 1 1 21 MET CB C -16.493 -2.184 6.995 1.00 . A A . 79 MET CB 1 1 1 338 1 1 21 MET CE C -15.175 0.631 7.694 1.00 . A A . 79 MET CE 1 1 1 339 1 1 21 MET CG C -17.355 -0.980 7.382 1.00 . A A . 79 MET CG 1 1 1 340 1 1 21 MET H H -15.860 -4.189 4.854 1.00 . A A . 79 MET H 1 1 1 341 1 1 21 MET HA H -18.176 -3.382 6.433 1.00 . A A . 79 MET HA 1 1 1 342 1 1 21 MET HB2 H -16.273 -2.770 7.882 1.00 . A A . 79 MET HB2 1 1 1 343 1 1 21 MET HB3 H -15.569 -1.835 6.546 1.00 . A A . 79 MET HB3 1 1 1 344 1 1 21 MET HE1 H -14.784 1.519 8.172 1.00 . A A . 79 MET HE1 1 1 1 345 1 1 21 MET HE2 H -15.537 0.885 6.711 1.00 . A A . 79 MET HE2 1 1 1 346 1 1 21 MET HE3 H -14.393 -0.110 7.606 1.00 . A A . 79 MET HE3 1 1 1 347 1 1 21 MET HG2 H -17.501 -0.347 6.519 1.00 . A A . 79 MET HG2 1 1 1 348 1 1 21 MET HG3 H -18.315 -1.325 7.739 1.00 . A A . 79 MET HG3 1 1 1 349 1 1 21 MET N N -16.443 -4.224 5.640 1.00 . A A . 79 MET N 1 1 1 350 1 1 21 MET O O -16.706 -2.054 3.872 1.00 . A A . 79 MET O 1 1 1 351 1 1 21 MET SD S -16.530 -0.039 8.691 1.00 . A A . 79 MET SD 1 1 1 352 1 1 22 ASP C C -18.942 0.523 3.739 1.00 . A A . 80 ASP C 1 1 1 353 1 1 22 ASP CA C -19.223 -0.956 3.498 1.00 . A A . 80 ASP CA 1 1 1 354 1 1 22 ASP CB C -20.721 -1.157 3.252 1.00 . A A . 80 ASP CB 1 1 1 355 1 1 22 ASP CG C -21.523 -0.617 4.432 1.00 . A A . 80 ASP CG 1 1 1 356 1 1 22 ASP H H -19.438 -1.935 5.368 1.00 . A A . 80 ASP H 1 1 1 357 1 1 22 ASP HA H -18.682 -1.279 2.620 1.00 . A A . 80 ASP HA 1 1 1 358 1 1 22 ASP HB2 H -21.009 -0.633 2.352 1.00 . A A . 80 ASP HB2 1 1 1 359 1 1 22 ASP HB3 H -20.925 -2.211 3.133 1.00 . A A . 80 ASP HB3 1 1 1 360 1 1 22 ASP N N -18.799 -1.754 4.648 1.00 . A A . 80 ASP N 1 1 1 361 1 1 22 ASP O O -17.872 0.828 4.240 1.00 . A A . 80 ASP O 1 1 1 362 1 1 22 ASP OXT O -19.799 1.329 3.418 1.00 . A A . 80 ASP OXT 1 1 1 363 1 1 22 ASP OD1 O -20.911 -0.098 5.351 1.00 . A A . 80 ASP OD1 1 1 1 364 1 1 22 ASP OD2 O -22.737 -0.733 4.399 1.00 . A A . 80 ASP OD2 1 1 2 365 1 1 1 ASP C C -3.405 -8.003 4.728 1.00 . A A . 59 ASP C 1 1 2 366 1 1 1 ASP CA C -3.528 -6.606 5.328 1.00 . A A . 59 ASP CA 1 1 2 367 1 1 1 ASP CB C -2.916 -6.579 6.732 1.00 . A A . 59 ASP CB 1 1 2 368 1 1 1 ASP CG C -1.510 -7.172 6.706 1.00 . A A . 59 ASP CG 1 1 2 369 1 1 1 ASP H1 H -5.490 -6.974 5.923 1.00 . A A . 59 ASP H1 1 1 2 370 1 1 1 ASP H2 H -5.356 -6.132 4.453 1.00 . A A . 59 ASP H2 1 1 2 371 1 1 1 ASP H3 H -5.064 -5.333 5.923 1.00 . A A . 59 ASP H3 1 1 2 372 1 1 1 ASP HA H -3.011 -5.898 4.698 1.00 . A A . 59 ASP HA 1 1 2 373 1 1 1 ASP HB2 H -2.863 -5.552 7.081 1.00 . A A . 59 ASP HB2 1 1 2 374 1 1 1 ASP HB3 H -3.537 -7.162 7.406 1.00 . A A . 59 ASP HB3 1 1 2 375 1 1 1 ASP N N -4.968 -6.232 5.413 1.00 . A A . 59 ASP N 1 1 2 376 1 1 1 ASP O O -3.841 -8.988 5.327 1.00 . A A . 59 ASP O 1 1 2 377 1 1 1 ASP OD1 O -0.631 -6.536 6.147 1.00 . A A . 59 ASP OD1 1 1 2 378 1 1 1 ASP OD2 O -1.335 -8.254 7.242 1.00 . A A . 59 ASP OD2 1 1 2 379 1 1 2 THR C C -1.456 -9.302 1.895 1.00 . A A . 60 THR C 1 1 2 380 1 1 2 THR CA C -2.634 -9.364 2.864 1.00 . A A . 60 THR CA 1 1 2 381 1 1 2 THR CB C -3.914 -9.738 2.108 1.00 . A A . 60 THR CB 1 1 2 382 1 1 2 THR CG2 C -4.157 -8.751 0.964 1.00 . A A . 60 THR CG2 1 1 2 383 1 1 2 THR H H -2.485 -7.264 3.111 1.00 . A A . 60 THR H 1 1 2 384 1 1 2 THR HA H -2.432 -10.127 3.603 1.00 . A A . 60 THR HA 1 1 2 385 1 1 2 THR HB H -4.752 -9.708 2.787 1.00 . A A . 60 THR HB 1 1 2 386 1 1 2 THR HG1 H -3.343 -11.594 2.242 1.00 . A A . 60 THR HG1 1 1 2 387 1 1 2 THR HG21 H -3.543 -9.021 0.119 1.00 . A A . 60 THR HG21 1 1 2 388 1 1 2 THR HG22 H -3.907 -7.750 1.286 1.00 . A A . 60 THR HG22 1 1 2 389 1 1 2 THR HG23 H -5.197 -8.783 0.676 1.00 . A A . 60 THR HG23 1 1 2 390 1 1 2 THR N N -2.811 -8.083 3.540 1.00 . A A . 60 THR N 1 1 2 391 1 1 2 THR O O -1.023 -8.220 1.500 1.00 . A A . 60 THR O 1 1 2 392 1 1 2 THR OG1 O -3.782 -11.051 1.581 1.00 . A A . 60 THR OG1 1 1 2 393 1 1 3 LEU C C -0.181 -9.963 -0.753 1.00 . A A . 61 LEU C 1 1 2 394 1 1 3 LEU CA C 0.195 -10.541 0.609 1.00 . A A . 61 LEU CA 1 1 2 395 1 1 3 LEU CB C 0.645 -12.000 0.456 1.00 . A A . 61 LEU CB 1 1 2 396 1 1 3 LEU CD1 C 3.028 -11.290 0.033 1.00 . A A . 61 LEU CD1 1 1 2 397 1 1 3 LEU CD2 C 2.240 -13.576 -0.638 1.00 . A A . 61 LEU CD2 1 1 2 398 1 1 3 LEU CG C 1.839 -12.102 -0.506 1.00 . A A . 61 LEU CG 1 1 2 399 1 1 3 LEU H H -1.324 -11.298 1.877 1.00 . A A . 61 LEU H 1 1 2 400 1 1 3 LEU HA H 1.008 -9.964 1.022 1.00 . A A . 61 LEU HA 1 1 2 401 1 1 3 LEU HB2 H 0.931 -12.387 1.423 1.00 . A A . 61 LEU HB2 1 1 2 402 1 1 3 LEU HB3 H -0.175 -12.586 0.068 1.00 . A A . 61 LEU HB3 1 1 2 403 1 1 3 LEU HD11 H 3.951 -11.676 -0.380 1.00 . A A . 61 LEU HD11 1 1 2 404 1 1 3 LEU HD12 H 3.063 -11.362 1.111 1.00 . A A . 61 LEU HD12 1 1 2 405 1 1 3 LEU HD13 H 2.918 -10.254 -0.255 1.00 . A A . 61 LEU HD13 1 1 2 406 1 1 3 LEU HD21 H 1.413 -14.140 -1.041 1.00 . A A . 61 LEU HD21 1 1 2 407 1 1 3 LEU HD22 H 2.504 -13.966 0.335 1.00 . A A . 61 LEU HD22 1 1 2 408 1 1 3 LEU HD23 H 3.090 -13.659 -1.301 1.00 . A A . 61 LEU HD23 1 1 2 409 1 1 3 LEU HG H 1.558 -11.721 -1.476 1.00 . A A . 61 LEU HG 1 1 2 410 1 1 3 LEU N N -0.939 -10.469 1.525 1.00 . A A . 61 LEU N 1 1 2 411 1 1 3 LEU O O 0.600 -9.234 -1.364 1.00 . A A . 61 LEU O 1 1 2 412 1 1 4 LEU C C -2.039 -8.298 -2.465 1.00 . A A . 62 LEU C 1 1 2 413 1 1 4 LEU CA C -1.843 -9.804 -2.515 1.00 . A A . 62 LEU CA 1 1 2 414 1 1 4 LEU CB C -3.162 -10.471 -2.896 1.00 . A A . 62 LEU CB 1 1 2 415 1 1 4 LEU CD1 C -4.323 -12.643 -3.309 1.00 . A A . 62 LEU CD1 1 1 2 416 1 1 4 LEU CD2 C -1.940 -12.354 -4.043 1.00 . A A . 62 LEU CD2 1 1 2 417 1 1 4 LEU CG C -2.981 -11.992 -2.969 1.00 . A A . 62 LEU CG 1 1 2 418 1 1 4 LEU H H -1.958 -10.880 -0.691 1.00 . A A . 62 LEU H 1 1 2 419 1 1 4 LEU HA H -1.103 -10.029 -3.265 1.00 . A A . 62 LEU HA 1 1 2 420 1 1 4 LEU HB2 H -3.910 -10.230 -2.156 1.00 . A A . 62 LEU HB2 1 1 2 421 1 1 4 LEU HB3 H -3.479 -10.101 -3.860 1.00 . A A . 62 LEU HB3 1 1 2 422 1 1 4 LEU HD11 H -4.179 -13.699 -3.481 1.00 . A A . 62 LEU HD11 1 1 2 423 1 1 4 LEU HD12 H -4.727 -12.187 -4.201 1.00 . A A . 62 LEU HD12 1 1 2 424 1 1 4 LEU HD13 H -5.012 -12.501 -2.490 1.00 . A A . 62 LEU HD13 1 1 2 425 1 1 4 LEU HD21 H -0.950 -12.304 -3.613 1.00 . A A . 62 LEU HD21 1 1 2 426 1 1 4 LEU HD22 H -2.009 -11.660 -4.868 1.00 . A A . 62 LEU HD22 1 1 2 427 1 1 4 LEU HD23 H -2.118 -13.358 -4.404 1.00 . A A . 62 LEU HD23 1 1 2 428 1 1 4 LEU HG H -2.645 -12.355 -2.007 1.00 . A A . 62 LEU HG 1 1 2 429 1 1 4 LEU N N -1.378 -10.295 -1.222 1.00 . A A . 62 LEU N 1 1 2 430 1 1 4 LEU O O -2.247 -7.653 -3.492 1.00 . A A . 62 LEU O 1 1 2 431 1 1 5 GLY C C -1.067 -5.580 -1.912 1.00 . A A . 63 GLY C 1 1 2 432 1 1 5 GLY CA C -2.124 -6.306 -1.099 1.00 . A A . 63 GLY CA 1 1 2 433 1 1 5 GLY H H -1.787 -8.303 -0.485 1.00 . A A . 63 GLY H 1 1 2 434 1 1 5 GLY HA2 H -3.110 -6.014 -1.445 1.00 . A A . 63 GLY HA2 1 1 2 435 1 1 5 GLY HA3 H -2.008 -6.050 -0.052 1.00 . A A . 63 GLY HA3 1 1 2 436 1 1 5 GLY N N -1.962 -7.741 -1.267 1.00 . A A . 63 GLY N 1 1 2 437 1 1 5 GLY O O -1.192 -4.390 -2.197 1.00 . A A . 63 GLY O 1 1 2 438 1 1 6 ARG C C 1.019 -6.381 -4.493 1.00 . A A . 64 ARG C 1 1 2 439 1 1 6 ARG CA C 1.057 -5.766 -3.100 1.00 . A A . 64 ARG CA 1 1 2 440 1 1 6 ARG CB C 2.407 -6.057 -2.428 1.00 . A A . 64 ARG CB 1 1 2 441 1 1 6 ARG CD C 4.809 -5.380 -2.263 1.00 . A A . 64 ARG CD 1 1 2 442 1 1 6 ARG CG C 3.475 -5.093 -2.956 1.00 . A A . 64 ARG CG 1 1 2 443 1 1 6 ARG CZ C 7.052 -4.453 -2.201 1.00 . A A . 64 ARG CZ 1 1 2 444 1 1 6 ARG H H 0.003 -7.267 -2.051 1.00 . A A . 64 ARG H 1 1 2 445 1 1 6 ARG HA H 0.928 -4.698 -3.188 1.00 . A A . 64 ARG HA 1 1 2 446 1 1 6 ARG HB2 H 2.308 -5.932 -1.359 1.00 . A A . 64 ARG HB2 1 1 2 447 1 1 6 ARG HB3 H 2.706 -7.073 -2.641 1.00 . A A . 64 ARG HB3 1 1 2 448 1 1 6 ARG HD2 H 4.676 -5.318 -1.192 1.00 . A A . 64 ARG HD2 1 1 2 449 1 1 6 ARG HD3 H 5.139 -6.376 -2.523 1.00 . A A . 64 ARG HD3 1 1 2 450 1 1 6 ARG HE H 5.570 -3.711 -3.325 1.00 . A A . 64 ARG HE 1 1 2 451 1 1 6 ARG HG2 H 3.587 -5.225 -4.021 1.00 . A A . 64 ARG HG2 1 1 2 452 1 1 6 ARG HG3 H 3.177 -4.076 -2.748 1.00 . A A . 64 ARG HG3 1 1 2 453 1 1 6 ARG HH11 H 6.710 -6.049 -1.042 1.00 . A A . 64 ARG HH11 1 1 2 454 1 1 6 ARG HH12 H 8.319 -5.407 -0.980 1.00 . A A . 64 ARG HH12 1 1 2 455 1 1 6 ARG HH21 H 7.677 -2.865 -3.249 1.00 . A A . 64 ARG HH21 1 1 2 456 1 1 6 ARG HH22 H 8.866 -3.605 -2.230 1.00 . A A . 64 ARG HH22 1 1 2 457 1 1 6 ARG N N -0.027 -6.319 -2.298 1.00 . A A . 64 ARG N 1 1 2 458 1 1 6 ARG NE N 5.813 -4.408 -2.680 1.00 . A A . 64 ARG NE 1 1 2 459 1 1 6 ARG NH1 N 7.387 -5.375 -1.341 1.00 . A A . 64 ARG NH1 1 1 2 460 1 1 6 ARG NH2 N 7.933 -3.572 -2.590 1.00 . A A . 64 ARG NH2 1 1 2 461 1 1 6 ARG O O 2.055 -6.605 -5.118 1.00 . A A . 64 ARG O 1 1 2 462 1 1 7 MET C C -1.748 -6.891 -6.843 1.00 . A A . 65 MET C 1 1 2 463 1 1 7 MET CA C -0.369 -7.244 -6.293 1.00 . A A . 65 MET CA 1 1 2 464 1 1 7 MET CB C -0.217 -8.765 -6.214 1.00 . A A . 65 MET CB 1 1 2 465 1 1 7 MET CE C 1.681 -11.226 -6.850 1.00 . A A . 65 MET CE 1 1 2 466 1 1 7 MET CG C -0.144 -9.345 -7.628 1.00 . A A . 65 MET CG 1 1 2 467 1 1 7 MET H H -0.981 -6.456 -4.425 1.00 . A A . 65 MET H 1 1 2 468 1 1 7 MET HA H 0.384 -6.851 -6.955 1.00 . A A . 65 MET HA 1 1 2 469 1 1 7 MET HB2 H 0.689 -9.007 -5.677 1.00 . A A . 65 MET HB2 1 1 2 470 1 1 7 MET HB3 H -1.067 -9.185 -5.698 1.00 . A A . 65 MET HB3 1 1 2 471 1 1 7 MET HE1 H 2.273 -10.415 -7.250 1.00 . A A . 65 MET HE1 1 1 2 472 1 1 7 MET HE2 H 2.137 -12.164 -7.118 1.00 . A A . 65 MET HE2 1 1 2 473 1 1 7 MET HE3 H 1.632 -11.146 -5.773 1.00 . A A . 65 MET HE3 1 1 2 474 1 1 7 MET HG2 H -1.048 -9.089 -8.170 1.00 . A A . 65 MET HG2 1 1 2 475 1 1 7 MET HG3 H 0.719 -8.936 -8.142 1.00 . A A . 65 MET HG3 1 1 2 476 1 1 7 MET N N -0.191 -6.655 -4.972 1.00 . A A . 65 MET N 1 1 2 477 1 1 7 MET O O -1.879 -6.454 -7.984 1.00 . A A . 65 MET O 1 1 2 478 1 1 7 MET SD S 0.005 -11.149 -7.535 1.00 . A A . 65 MET SD 1 1 2 479 1 1 8 LEU C C -4.809 -5.908 -5.315 1.00 . A A . 66 LEU C 1 1 2 480 1 1 8 LEU CA C -4.151 -6.761 -6.395 1.00 . A A . 66 LEU CA 1 1 2 481 1 1 8 LEU CB C -4.945 -8.059 -6.569 1.00 . A A . 66 LEU CB 1 1 2 482 1 1 8 LEU CD1 C -5.004 -10.293 -7.686 1.00 . A A . 66 LEU CD1 1 1 2 483 1 1 8 LEU CD2 C -4.411 -8.259 -9.026 1.00 . A A . 66 LEU CD2 1 1 2 484 1 1 8 LEU CG C -4.295 -8.936 -7.649 1.00 . A A . 66 LEU CG 1 1 2 485 1 1 8 LEU H H -2.597 -7.415 -5.108 1.00 . A A . 66 LEU H 1 1 2 486 1 1 8 LEU HA H -4.165 -6.212 -7.324 1.00 . A A . 66 LEU HA 1 1 2 487 1 1 8 LEU HB2 H -4.956 -8.597 -5.632 1.00 . A A . 66 LEU HB2 1 1 2 488 1 1 8 LEU HB3 H -5.956 -7.826 -6.857 1.00 . A A . 66 LEU HB3 1 1 2 489 1 1 8 LEU HD11 H -6.071 -10.141 -7.733 1.00 . A A . 66 LEU HD11 1 1 2 490 1 1 8 LEU HD12 H -4.758 -10.852 -6.794 1.00 . A A . 66 LEU HD12 1 1 2 491 1 1 8 LEU HD13 H -4.679 -10.845 -8.556 1.00 . A A . 66 LEU HD13 1 1 2 492 1 1 8 LEU HD21 H -4.326 -9.003 -9.806 1.00 . A A . 66 LEU HD21 1 1 2 493 1 1 8 LEU HD22 H -3.617 -7.536 -9.141 1.00 . A A . 66 LEU HD22 1 1 2 494 1 1 8 LEU HD23 H -5.365 -7.759 -9.110 1.00 . A A . 66 LEU HD23 1 1 2 495 1 1 8 LEU HG H -3.254 -9.085 -7.404 1.00 . A A . 66 LEU HG 1 1 2 496 1 1 8 LEU N N -2.772 -7.073 -6.010 1.00 . A A . 66 LEU N 1 1 2 497 1 1 8 LEU O O -5.821 -6.299 -4.734 1.00 . A A . 66 LEU O 1 1 2 498 1 1 9 PRO C C -6.094 -3.164 -4.462 1.00 . A A . 67 PRO C 1 1 2 499 1 1 9 PRO CA C -4.798 -3.829 -4.008 1.00 . A A . 67 PRO CA 1 1 2 500 1 1 9 PRO CB C -3.671 -2.803 -3.821 1.00 . A A . 67 PRO CB 1 1 2 501 1 1 9 PRO CD C -3.042 -4.209 -5.681 1.00 . A A . 67 PRO CD 1 1 2 502 1 1 9 PRO CG C -2.966 -2.778 -5.140 1.00 . A A . 67 PRO CG 1 1 2 503 1 1 9 PRO HA H -4.960 -4.362 -3.087 1.00 . A A . 67 PRO HA 1 1 2 504 1 1 9 PRO HB2 H -4.082 -1.822 -3.585 1.00 . A A . 67 PRO HB2 1 1 2 505 1 1 9 PRO HB3 H -2.990 -3.131 -3.041 1.00 . A A . 67 PRO HB3 1 1 2 506 1 1 9 PRO HD2 H -3.146 -4.202 -6.757 1.00 . A A . 67 PRO HD2 1 1 2 507 1 1 9 PRO HD3 H -2.174 -4.776 -5.384 1.00 . A A . 67 PRO HD3 1 1 2 508 1 1 9 PRO HG2 H -3.470 -2.091 -5.818 1.00 . A A . 67 PRO HG2 1 1 2 509 1 1 9 PRO HG3 H -1.927 -2.490 -5.008 1.00 . A A . 67 PRO HG3 1 1 2 510 1 1 9 PRO N N -4.253 -4.757 -5.041 1.00 . A A . 67 PRO N 1 1 2 511 1 1 9 PRO O O -6.888 -2.702 -3.642 1.00 . A A . 67 PRO O 1 1 2 512 1 1 10 GLN C C -8.464 -3.567 -6.846 1.00 . A A . 68 GLN C 1 1 2 513 1 1 10 GLN CA C -7.504 -2.499 -6.343 1.00 . A A . 68 GLN CA 1 1 2 514 1 1 10 GLN CB C -7.138 -1.549 -7.485 1.00 . A A . 68 GLN CB 1 1 2 515 1 1 10 GLN CD C -6.035 -1.351 -9.723 1.00 . A A . 68 GLN CD 1 1 2 516 1 1 10 GLN CG C -6.406 -2.310 -8.598 1.00 . A A . 68 GLN CG 1 1 2 517 1 1 10 GLN H H -5.628 -3.498 -6.378 1.00 . A A . 68 GLN H 1 1 2 518 1 1 10 GLN HA H -8.006 -1.927 -5.573 1.00 . A A . 68 GLN HA 1 1 2 519 1 1 10 GLN HB2 H -8.046 -1.113 -7.886 1.00 . A A . 68 GLN HB2 1 1 2 520 1 1 10 GLN HB3 H -6.493 -0.765 -7.102 1.00 . A A . 68 GLN HB3 1 1 2 521 1 1 10 GLN HE21 H -4.089 -1.752 -9.612 1.00 . A A . 68 GLN HE21 1 1 2 522 1 1 10 GLN HE22 H -4.539 -0.608 -10.805 1.00 . A A . 68 GLN HE22 1 1 2 523 1 1 10 GLN HG2 H -5.508 -2.754 -8.199 1.00 . A A . 68 GLN HG2 1 1 2 524 1 1 10 GLN HG3 H -7.048 -3.086 -8.987 1.00 . A A . 68 GLN HG3 1 1 2 525 1 1 10 GLN N N -6.299 -3.114 -5.777 1.00 . A A . 68 GLN N 1 1 2 526 1 1 10 GLN NE2 N -4.785 -1.226 -10.076 1.00 . A A . 68 GLN NE2 1 1 2 527 1 1 10 GLN O O -9.090 -3.414 -7.894 1.00 . A A . 68 GLN O 1 1 2 528 1 1 10 GLN OE1 O -6.907 -0.698 -10.297 1.00 . A A . 68 GLN OE1 1 1 2 529 1 1 11 LEU C C -9.616 -6.717 -5.298 1.00 . A A . 69 LEU C 1 1 2 530 1 1 11 LEU CA C -9.476 -5.732 -6.455 1.00 . A A . 69 LEU CA 1 1 2 531 1 1 11 LEU CB C -8.939 -6.448 -7.702 1.00 . A A . 69 LEU CB 1 1 2 532 1 1 11 LEU CD1 C -11.273 -7.089 -8.414 1.00 . A A . 69 LEU CD1 1 1 2 533 1 1 11 LEU CD2 C -9.281 -8.302 -9.338 1.00 . A A . 69 LEU CD2 1 1 2 534 1 1 11 LEU CG C -9.862 -7.612 -8.100 1.00 . A A . 69 LEU CG 1 1 2 535 1 1 11 LEU H H -8.059 -4.713 -5.258 1.00 . A A . 69 LEU H 1 1 2 536 1 1 11 LEU HA H -10.447 -5.319 -6.681 1.00 . A A . 69 LEU HA 1 1 2 537 1 1 11 LEU HB2 H -8.884 -5.744 -8.519 1.00 . A A . 69 LEU HB2 1 1 2 538 1 1 11 LEU HB3 H -7.954 -6.831 -7.495 1.00 . A A . 69 LEU HB3 1 1 2 539 1 1 11 LEU HD11 H -11.206 -6.129 -8.905 1.00 . A A . 69 LEU HD11 1 1 2 540 1 1 11 LEU HD12 H -11.833 -6.986 -7.497 1.00 . A A . 69 LEU HD12 1 1 2 541 1 1 11 LEU HD13 H -11.784 -7.787 -9.064 1.00 . A A . 69 LEU HD13 1 1 2 542 1 1 11 LEU HD21 H -8.259 -8.592 -9.143 1.00 . A A . 69 LEU HD21 1 1 2 543 1 1 11 LEU HD22 H -9.309 -7.621 -10.176 1.00 . A A . 69 LEU HD22 1 1 2 544 1 1 11 LEU HD23 H -9.866 -9.180 -9.569 1.00 . A A . 69 LEU HD23 1 1 2 545 1 1 11 LEU HG H -9.916 -8.324 -7.288 1.00 . A A . 69 LEU HG 1 1 2 546 1 1 11 LEU N N -8.582 -4.645 -6.084 1.00 . A A . 69 LEU N 1 1 2 547 1 1 11 LEU O O -10.691 -6.835 -4.712 1.00 . A A . 69 LEU O 1 1 2 548 1 1 12 VAL C C -8.882 -7.610 -2.551 1.00 . A A . 70 VAL C 1 1 2 549 1 1 12 VAL CA C -8.605 -8.358 -3.848 1.00 . A A . 70 VAL CA 1 1 2 550 1 1 12 VAL CB C -7.288 -9.128 -3.733 1.00 . A A . 70 VAL CB 1 1 2 551 1 1 12 VAL CG1 C -7.287 -9.956 -2.442 1.00 . A A . 70 VAL CG1 1 1 2 552 1 1 12 VAL CG2 C -7.149 -10.061 -4.936 1.00 . A A . 70 VAL CG2 1 1 2 553 1 1 12 VAL H H -7.691 -7.281 -5.437 1.00 . A A . 70 VAL H 1 1 2 554 1 1 12 VAL HA H -9.408 -9.058 -4.030 1.00 . A A . 70 VAL HA 1 1 2 555 1 1 12 VAL HB H -6.463 -8.429 -3.715 1.00 . A A . 70 VAL HB 1 1 2 556 1 1 12 VAL HG11 H -6.489 -10.682 -2.479 1.00 . A A . 70 VAL HG11 1 1 2 557 1 1 12 VAL HG12 H -8.234 -10.466 -2.343 1.00 . A A . 70 VAL HG12 1 1 2 558 1 1 12 VAL HG13 H -7.142 -9.301 -1.594 1.00 . A A . 70 VAL HG13 1 1 2 559 1 1 12 VAL HG21 H -7.309 -9.500 -5.845 1.00 . A A . 70 VAL HG21 1 1 2 560 1 1 12 VAL HG22 H -7.883 -10.850 -4.867 1.00 . A A . 70 VAL HG22 1 1 2 561 1 1 12 VAL HG23 H -6.158 -10.491 -4.949 1.00 . A A . 70 VAL HG23 1 1 2 562 1 1 12 VAL N N -8.536 -7.413 -4.956 1.00 . A A . 70 VAL N 1 1 2 563 1 1 12 VAL O O -9.805 -7.943 -1.812 1.00 . A A . 70 VAL O 1 1 2 564 1 1 13 CYS C C -9.565 -4.985 -1.227 1.00 . A A . 71 CYS C 1 1 2 565 1 1 13 CYS CA C -8.267 -5.761 -1.115 1.00 . A A . 71 CYS CA 1 1 2 566 1 1 13 CYS CB C -7.103 -4.789 -0.956 1.00 . A A . 71 CYS CB 1 1 2 567 1 1 13 CYS H H -7.386 -6.349 -2.937 1.00 . A A . 71 CYS H 1 1 2 568 1 1 13 CYS HA H -8.307 -6.402 -0.251 1.00 . A A . 71 CYS HA 1 1 2 569 1 1 13 CYS HB2 H -6.943 -4.262 -1.889 1.00 . A A . 71 CYS HB2 1 1 2 570 1 1 13 CYS HB3 H -7.334 -4.079 -0.167 1.00 . A A . 71 CYS HB3 1 1 2 571 1 1 13 CYS HG H -5.755 -6.631 -0.741 1.00 . A A . 71 CYS HG 1 1 2 572 1 1 13 CYS N N -8.090 -6.577 -2.301 1.00 . A A . 71 CYS N 1 1 2 573 1 1 13 CYS O O -10.282 -4.799 -0.247 1.00 . A A . 71 CYS O 1 1 2 574 1 1 13 CYS SG S -5.609 -5.710 -0.517 1.00 . A A . 71 CYS SG 1 1 2 575 1 1 14 ARG C C -12.295 -4.558 -2.315 1.00 . A A . 72 ARG C 1 1 2 576 1 1 14 ARG CA C -11.054 -3.743 -2.670 1.00 . A A . 72 ARG CA 1 1 2 577 1 1 14 ARG CB C -11.112 -3.311 -4.141 1.00 . A A . 72 ARG CB 1 1 2 578 1 1 14 ARG CD C -12.214 -1.091 -3.633 1.00 . A A . 72 ARG CD 1 1 2 579 1 1 14 ARG CG C -12.340 -2.420 -4.398 1.00 . A A . 72 ARG CG 1 1 2 580 1 1 14 ARG CZ C -12.727 -0.209 -1.430 1.00 . A A . 72 ARG CZ 1 1 2 581 1 1 14 ARG H H -9.234 -4.687 -3.179 1.00 . A A . 72 ARG H 1 1 2 582 1 1 14 ARG HA H -11.015 -2.867 -2.053 1.00 . A A . 72 ARG HA 1 1 2 583 1 1 14 ARG HB2 H -10.214 -2.763 -4.387 1.00 . A A . 72 ARG HB2 1 1 2 584 1 1 14 ARG HB3 H -11.174 -4.189 -4.764 1.00 . A A . 72 ARG HB3 1 1 2 585 1 1 14 ARG HD2 H -11.177 -0.790 -3.593 1.00 . A A . 72 ARG HD2 1 1 2 586 1 1 14 ARG HD3 H -12.781 -0.329 -4.149 1.00 . A A . 72 ARG HD3 1 1 2 587 1 1 14 ARG HE H -13.066 -2.104 -1.977 1.00 . A A . 72 ARG HE 1 1 2 588 1 1 14 ARG HG2 H -12.410 -2.217 -5.456 1.00 . A A . 72 ARG HG2 1 1 2 589 1 1 14 ARG HG3 H -13.231 -2.933 -4.076 1.00 . A A . 72 ARG HG3 1 1 2 590 1 1 14 ARG HH11 H -11.928 1.073 -2.745 1.00 . A A . 72 ARG HH11 1 1 2 591 1 1 14 ARG HH12 H -12.279 1.727 -1.179 1.00 . A A . 72 ARG HH12 1 1 2 592 1 1 14 ARG HH21 H -13.526 -1.254 0.079 1.00 . A A . 72 ARG HH21 1 1 2 593 1 1 14 ARG HH22 H -13.183 0.409 0.419 1.00 . A A . 72 ARG HH22 1 1 2 594 1 1 14 ARG N N -9.850 -4.519 -2.437 1.00 . A A . 72 ARG N 1 1 2 595 1 1 14 ARG NE N -12.724 -1.235 -2.273 1.00 . A A . 72 ARG NE 1 1 2 596 1 1 14 ARG NH1 N -12.276 0.955 -1.815 1.00 . A A . 72 ARG NH1 1 1 2 597 1 1 14 ARG NH2 N -13.181 -0.363 -0.216 1.00 . A A . 72 ARG NH2 1 1 2 598 1 1 14 ARG O O -13.171 -4.086 -1.591 1.00 . A A . 72 ARG O 1 1 2 599 1 1 15 LEU C C -13.520 -7.032 -1.057 1.00 . A A . 73 LEU C 1 1 2 600 1 1 15 LEU CA C -13.494 -6.658 -2.534 1.00 . A A . 73 LEU CA 1 1 2 601 1 1 15 LEU CB C -13.392 -7.937 -3.374 1.00 . A A . 73 LEU CB 1 1 2 602 1 1 15 LEU CD1 C -13.248 -8.855 -5.692 1.00 . A A . 73 LEU CD1 1 1 2 603 1 1 15 LEU CD2 C -15.111 -7.280 -5.112 1.00 . A A . 73 LEU CD2 1 1 2 604 1 1 15 LEU CG C -13.629 -7.625 -4.860 1.00 . A A . 73 LEU CG 1 1 2 605 1 1 15 LEU H H -11.624 -6.114 -3.378 1.00 . A A . 73 LEU H 1 1 2 606 1 1 15 LEU HA H -14.405 -6.143 -2.780 1.00 . A A . 73 LEU HA 1 1 2 607 1 1 15 LEU HB2 H -12.398 -8.359 -3.255 1.00 . A A . 73 LEU HB2 1 1 2 608 1 1 15 LEU HB3 H -14.132 -8.651 -3.030 1.00 . A A . 73 LEU HB3 1 1 2 609 1 1 15 LEU HD11 H -13.460 -8.663 -6.733 1.00 . A A . 73 LEU HD11 1 1 2 610 1 1 15 LEU HD12 H -13.822 -9.706 -5.359 1.00 . A A . 73 LEU HD12 1 1 2 611 1 1 15 LEU HD13 H -12.195 -9.060 -5.570 1.00 . A A . 73 LEU HD13 1 1 2 612 1 1 15 LEU HD21 H -15.744 -7.887 -4.482 1.00 . A A . 73 LEU HD21 1 1 2 613 1 1 15 LEU HD22 H -15.358 -7.466 -6.148 1.00 . A A . 73 LEU HD22 1 1 2 614 1 1 15 LEU HD23 H -15.282 -6.238 -4.894 1.00 . A A . 73 LEU HD23 1 1 2 615 1 1 15 LEU HG H -13.009 -6.790 -5.153 1.00 . A A . 73 LEU HG 1 1 2 616 1 1 15 LEU N N -12.357 -5.786 -2.818 1.00 . A A . 73 LEU N 1 1 2 617 1 1 15 LEU O O -14.576 -7.050 -0.423 1.00 . A A . 73 LEU O 1 1 2 618 1 1 16 VAL C C -12.580 -6.589 1.823 1.00 . A A . 74 VAL C 1 1 2 619 1 1 16 VAL CA C -12.213 -7.729 0.874 1.00 . A A . 74 VAL CA 1 1 2 620 1 1 16 VAL CB C -10.777 -8.194 1.130 1.00 . A A . 74 VAL CB 1 1 2 621 1 1 16 VAL CG1 C -10.542 -8.362 2.638 1.00 . A A . 74 VAL CG1 1 1 2 622 1 1 16 VAL CG2 C -10.554 -9.544 0.434 1.00 . A A . 74 VAL CG2 1 1 2 623 1 1 16 VAL H H -11.543 -7.314 -1.088 1.00 . A A . 74 VAL H 1 1 2 624 1 1 16 VAL HA H -12.880 -8.557 1.062 1.00 . A A . 74 VAL HA 1 1 2 625 1 1 16 VAL HB H -10.088 -7.462 0.727 1.00 . A A . 74 VAL HB 1 1 2 626 1 1 16 VAL HG11 H -11.379 -8.886 3.075 1.00 . A A . 74 VAL HG11 1 1 2 627 1 1 16 VAL HG12 H -10.449 -7.388 3.098 1.00 . A A . 74 VAL HG12 1 1 2 628 1 1 16 VAL HG13 H -9.637 -8.926 2.803 1.00 . A A . 74 VAL HG13 1 1 2 629 1 1 16 VAL HG21 H -11.018 -10.330 1.013 1.00 . A A . 74 VAL HG21 1 1 2 630 1 1 16 VAL HG22 H -9.494 -9.737 0.354 1.00 . A A . 74 VAL HG22 1 1 2 631 1 1 16 VAL HG23 H -10.990 -9.520 -0.553 1.00 . A A . 74 VAL HG23 1 1 2 632 1 1 16 VAL N N -12.344 -7.339 -0.524 1.00 . A A . 74 VAL N 1 1 2 633 1 1 16 VAL O O -13.333 -6.790 2.777 1.00 . A A . 74 VAL O 1 1 2 634 1 1 17 LEU C C -13.825 -3.955 2.402 1.00 . A A . 75 LEU C 1 1 2 635 1 1 17 LEU CA C -12.340 -4.267 2.443 1.00 . A A . 75 LEU CA 1 1 2 636 1 1 17 LEU CB C -11.539 -3.035 2.009 1.00 . A A . 75 LEU CB 1 1 2 637 1 1 17 LEU CD1 C -9.243 -2.110 1.662 1.00 . A A . 75 LEU CD1 1 1 2 638 1 1 17 LEU CD2 C -9.808 -3.202 3.854 1.00 . A A . 75 LEU CD2 1 1 2 639 1 1 17 LEU CG C -10.048 -3.232 2.328 1.00 . A A . 75 LEU CG 1 1 2 640 1 1 17 LEU H H -11.447 -5.282 0.807 1.00 . A A . 75 LEU H 1 1 2 641 1 1 17 LEU HA H -12.071 -4.522 3.454 1.00 . A A . 75 LEU HA 1 1 2 642 1 1 17 LEU HB2 H -11.659 -2.893 0.939 1.00 . A A . 75 LEU HB2 1 1 2 643 1 1 17 LEU HB3 H -11.909 -2.160 2.534 1.00 . A A . 75 LEU HB3 1 1 2 644 1 1 17 LEU HD11 H -9.381 -2.155 0.591 1.00 . A A . 75 LEU HD11 1 1 2 645 1 1 17 LEU HD12 H -8.196 -2.230 1.895 1.00 . A A . 75 LEU HD12 1 1 2 646 1 1 17 LEU HD13 H -9.587 -1.155 2.027 1.00 . A A . 75 LEU HD13 1 1 2 647 1 1 17 LEU HD21 H -8.799 -2.872 4.060 1.00 . A A . 75 LEU HD21 1 1 2 648 1 1 17 LEU HD22 H -9.940 -4.194 4.258 1.00 . A A . 75 LEU HD22 1 1 2 649 1 1 17 LEU HD23 H -10.507 -2.528 4.326 1.00 . A A . 75 LEU HD23 1 1 2 650 1 1 17 LEU HG H -9.722 -4.183 1.933 1.00 . A A . 75 LEU HG 1 1 2 651 1 1 17 LEU N N -12.045 -5.398 1.573 1.00 . A A . 75 LEU N 1 1 2 652 1 1 17 LEU O O -14.458 -3.743 3.435 1.00 . A A . 75 LEU O 1 1 2 653 1 1 18 ARG C C -16.624 -4.795 1.725 1.00 . A A . 76 ARG C 1 1 2 654 1 1 18 ARG CA C -15.810 -3.696 1.053 1.00 . A A . 76 ARG CA 1 1 2 655 1 1 18 ARG CB C -16.184 -3.582 -0.426 1.00 . A A . 76 ARG CB 1 1 2 656 1 1 18 ARG CD C -16.141 -2.064 -2.422 1.00 . A A . 76 ARG CD 1 1 2 657 1 1 18 ARG CG C -15.644 -2.263 -0.989 1.00 . A A . 76 ARG CG 1 1 2 658 1 1 18 ARG CZ C -15.820 -3.050 -4.614 1.00 . A A . 76 ARG CZ 1 1 2 659 1 1 18 ARG H H -13.840 -4.150 0.411 1.00 . A A . 76 ARG H 1 1 2 660 1 1 18 ARG HA H -16.033 -2.763 1.541 1.00 . A A . 76 ARG HA 1 1 2 661 1 1 18 ARG HB2 H -15.747 -4.410 -0.970 1.00 . A A . 76 ARG HB2 1 1 2 662 1 1 18 ARG HB3 H -17.257 -3.606 -0.531 1.00 . A A . 76 ARG HB3 1 1 2 663 1 1 18 ARG HD2 H -17.210 -2.206 -2.451 1.00 . A A . 76 ARG HD2 1 1 2 664 1 1 18 ARG HD3 H -15.908 -1.059 -2.743 1.00 . A A . 76 ARG HD3 1 1 2 665 1 1 18 ARG HE H -14.838 -3.641 -2.971 1.00 . A A . 76 ARG HE 1 1 2 666 1 1 18 ARG HG2 H -15.987 -1.443 -0.374 1.00 . A A . 76 ARG HG2 1 1 2 667 1 1 18 ARG HG3 H -14.566 -2.286 -0.986 1.00 . A A . 76 ARG HG3 1 1 2 668 1 1 18 ARG HH11 H -17.174 -1.583 -4.480 1.00 . A A . 76 ARG HH11 1 1 2 669 1 1 18 ARG HH12 H -16.954 -2.256 -6.060 1.00 . A A . 76 ARG HH12 1 1 2 670 1 1 18 ARG HH21 H -14.539 -4.525 -5.046 1.00 . A A . 76 ARG HH21 1 1 2 671 1 1 18 ARG HH22 H -15.462 -3.921 -6.380 1.00 . A A . 76 ARG HH22 1 1 2 672 1 1 18 ARG N N -14.387 -3.956 1.203 1.00 . A A . 76 ARG N 1 1 2 673 1 1 18 ARG NE N -15.509 -3.019 -3.322 1.00 . A A . 76 ARG NE 1 1 2 674 1 1 18 ARG NH1 N -16.720 -2.233 -5.088 1.00 . A A . 76 ARG NH1 1 1 2 675 1 1 18 ARG NH2 N -15.227 -3.898 -5.409 1.00 . A A . 76 ARG NH2 1 1 2 676 1 1 18 ARG O O -17.658 -4.529 2.339 1.00 . A A . 76 ARG O 1 1 2 677 1 1 19 CYS C C -16.942 -7.028 3.707 1.00 . A A . 77 CYS C 1 1 2 678 1 1 19 CYS CA C -16.844 -7.168 2.189 1.00 . A A . 77 CYS CA 1 1 2 679 1 1 19 CYS CB C -16.099 -8.459 1.844 1.00 . A A . 77 CYS CB 1 1 2 680 1 1 19 CYS H H -15.327 -6.180 1.095 1.00 . A A . 77 CYS H 1 1 2 681 1 1 19 CYS HA H -17.840 -7.223 1.778 1.00 . A A . 77 CYS HA 1 1 2 682 1 1 19 CYS HB2 H -16.055 -8.571 0.765 1.00 . A A . 77 CYS HB2 1 1 2 683 1 1 19 CYS HB3 H -15.095 -8.416 2.253 1.00 . A A . 77 CYS HB3 1 1 2 684 1 1 19 CYS HG H -17.764 -9.529 2.997 1.00 . A A . 77 CYS HG 1 1 2 685 1 1 19 CYS N N -16.153 -6.030 1.599 1.00 . A A . 77 CYS N 1 1 2 686 1 1 19 CYS O O -18.012 -7.223 4.285 1.00 . A A . 77 CYS O 1 1 2 687 1 1 19 CYS SG S -16.981 -9.865 2.558 1.00 . A A . 77 CYS SG 1 1 2 688 1 1 20 SER C C -16.259 -5.153 6.225 1.00 . A A . 78 SER C 1 1 2 689 1 1 20 SER CA C -15.808 -6.551 5.807 1.00 . A A . 78 SER CA 1 1 2 690 1 1 20 SER CB C -14.397 -6.812 6.340 1.00 . A A . 78 SER CB 1 1 2 691 1 1 20 SER H H -14.996 -6.563 3.843 1.00 . A A . 78 SER H 1 1 2 692 1 1 20 SER HA H -16.479 -7.277 6.242 1.00 . A A . 78 SER HA 1 1 2 693 1 1 20 SER HB2 H -13.690 -6.180 5.819 1.00 . A A . 78 SER HB2 1 1 2 694 1 1 20 SER HB3 H -14.369 -6.595 7.405 1.00 . A A . 78 SER HB3 1 1 2 695 1 1 20 SER HG H -13.487 -8.460 6.829 1.00 . A A . 78 SER HG 1 1 2 696 1 1 20 SER N N -15.823 -6.699 4.352 1.00 . A A . 78 SER N 1 1 2 697 1 1 20 SER O O -17.368 -4.978 6.731 1.00 . A A . 78 SER O 1 1 2 698 1 1 20 SER OG O -14.058 -8.175 6.113 1.00 . A A . 78 SER OG 1 1 2 699 1 1 21 MET C C -16.472 -2.090 5.236 1.00 . A A . 79 MET C 1 1 2 700 1 1 21 MET CA C -15.726 -2.780 6.372 1.00 . A A . 79 MET CA 1 1 2 701 1 1 21 MET CB C -14.451 -1.996 6.715 1.00 . A A . 79 MET CB 1 1 2 702 1 1 21 MET CE C -11.264 -2.168 7.062 1.00 . A A . 79 MET CE 1 1 2 703 1 1 21 MET CG C -13.506 -1.956 5.508 1.00 . A A . 79 MET CG 1 1 2 704 1 1 21 MET H H -14.532 -4.353 5.605 1.00 . A A . 79 MET H 1 1 2 705 1 1 21 MET HA H -16.365 -2.790 7.244 1.00 . A A . 79 MET HA 1 1 2 706 1 1 21 MET HB2 H -14.720 -0.981 6.991 1.00 . A A . 79 MET HB2 1 1 2 707 1 1 21 MET HB3 H -13.950 -2.479 7.547 1.00 . A A . 79 MET HB3 1 1 2 708 1 1 21 MET HE1 H -11.705 -2.061 8.045 1.00 . A A . 79 MET HE1 1 1 2 709 1 1 21 MET HE2 H -10.206 -1.971 7.126 1.00 . A A . 79 MET HE2 1 1 2 710 1 1 21 MET HE3 H -11.416 -3.174 6.699 1.00 . A A . 79 MET HE3 1 1 2 711 1 1 21 MET HG2 H -13.213 -2.961 5.248 1.00 . A A . 79 MET HG2 1 1 2 712 1 1 21 MET HG3 H -14.010 -1.500 4.669 1.00 . A A . 79 MET HG3 1 1 2 713 1 1 21 MET N N -15.397 -4.159 6.011 1.00 . A A . 79 MET N 1 1 2 714 1 1 21 MET O O -16.348 -2.472 4.072 1.00 . A A . 79 MET O 1 1 2 715 1 1 21 MET SD S -12.033 -0.986 5.924 1.00 . A A . 79 MET SD 1 1 2 716 1 1 22 ASP C C -18.221 1.119 5.050 1.00 . A A . 80 ASP C 1 1 2 717 1 1 22 ASP CA C -18.021 -0.324 4.594 1.00 . A A . 80 ASP CA 1 1 2 718 1 1 22 ASP CB C -19.385 -0.986 4.385 1.00 . A A . 80 ASP CB 1 1 2 719 1 1 22 ASP CG C -20.205 -0.913 5.668 1.00 . A A . 80 ASP CG 1 1 2 720 1 1 22 ASP H H -17.306 -0.819 6.530 1.00 . A A . 80 ASP H 1 1 2 721 1 1 22 ASP HA H -17.487 -0.321 3.655 1.00 . A A . 80 ASP HA 1 1 2 722 1 1 22 ASP HB2 H -19.912 -0.479 3.592 1.00 . A A . 80 ASP HB2 1 1 2 723 1 1 22 ASP HB3 H -19.240 -2.023 4.114 1.00 . A A . 80 ASP HB3 1 1 2 724 1 1 22 ASP N N -17.250 -1.072 5.586 1.00 . A A . 80 ASP N 1 1 2 725 1 1 22 ASP O O -18.113 1.364 6.241 1.00 . A A . 80 ASP O 1 1 2 726 1 1 22 ASP OXT O -18.480 1.956 4.201 1.00 . A A . 80 ASP OXT 1 1 2 727 1 1 22 ASP OD1 O -19.717 -0.343 6.630 1.00 . A A . 80 ASP OD1 1 1 2 728 1 1 22 ASP OD2 O -21.312 -1.427 5.671 1.00 . A A . 80 ASP OD2 1 1 3 729 1 1 1 ASP C C 0.296 -6.803 3.618 1.00 . A A . 59 ASP C 1 1 3 730 1 1 1 ASP CA C 0.064 -5.305 3.779 1.00 . A A . 59 ASP CA 1 1 3 731 1 1 1 ASP CB C -0.616 -5.023 5.121 1.00 . A A . 59 ASP CB 1 1 3 732 1 1 1 ASP CG C 0.277 -5.492 6.264 1.00 . A A . 59 ASP CG 1 1 3 733 1 1 1 ASP H1 H -1.796 -4.787 2.996 1.00 . A A . 59 ASP H1 1 1 3 734 1 1 1 ASP H2 H -0.730 -5.464 1.861 1.00 . A A . 59 ASP H2 1 1 3 735 1 1 1 ASP H3 H -0.508 -3.864 2.390 1.00 . A A . 59 ASP H3 1 1 3 736 1 1 1 ASP HA H 1.012 -4.790 3.741 1.00 . A A . 59 ASP HA 1 1 3 737 1 1 1 ASP HB2 H -0.790 -3.954 5.216 1.00 . A A . 59 ASP HB2 1 1 3 738 1 1 1 ASP HB3 H -1.561 -5.554 5.164 1.00 . A A . 59 ASP HB3 1 1 3 739 1 1 1 ASP N N -0.809 -4.819 2.672 1.00 . A A . 59 ASP N 1 1 3 740 1 1 1 ASP O O 1.363 -7.316 3.954 1.00 . A A . 59 ASP O 1 1 3 741 1 1 1 ASP OD1 O 1.301 -6.092 5.983 1.00 . A A . 59 ASP OD1 1 1 3 742 1 1 1 ASP OD2 O -0.076 -5.245 7.405 1.00 . A A . 59 ASP OD2 1 1 3 743 1 1 2 THR C C 0.107 -9.245 1.589 1.00 . A A . 60 THR C 1 1 3 744 1 1 2 THR CA C -0.612 -8.940 2.895 1.00 . A A . 60 THR CA 1 1 3 745 1 1 2 THR CB C -2.009 -9.561 2.869 1.00 . A A . 60 THR CB 1 1 3 746 1 1 2 THR CG2 C -2.746 -9.218 4.164 1.00 . A A . 60 THR CG2 1 1 3 747 1 1 2 THR H H -1.536 -7.037 2.850 1.00 . A A . 60 THR H 1 1 3 748 1 1 2 THR HA H -0.053 -9.376 3.708 1.00 . A A . 60 THR HA 1 1 3 749 1 1 2 THR HB H -1.926 -10.633 2.781 1.00 . A A . 60 THR HB 1 1 3 750 1 1 2 THR HG1 H -3.623 -8.843 2.055 1.00 . A A . 60 THR HG1 1 1 3 751 1 1 2 THR HG21 H -2.806 -8.145 4.272 1.00 . A A . 60 THR HG21 1 1 3 752 1 1 2 THR HG22 H -2.210 -9.635 5.004 1.00 . A A . 60 THR HG22 1 1 3 753 1 1 2 THR HG23 H -3.744 -9.632 4.132 1.00 . A A . 60 THR HG23 1 1 3 754 1 1 2 THR N N -0.712 -7.501 3.100 1.00 . A A . 60 THR N 1 1 3 755 1 1 2 THR O O 0.269 -8.369 0.740 1.00 . A A . 60 THR O 1 1 3 756 1 1 2 THR OG1 O -2.733 -9.048 1.759 1.00 . A A . 60 THR OG1 1 1 3 757 1 1 3 LEU C C 0.314 -10.754 -0.982 1.00 . A A . 61 LEU C 1 1 3 758 1 1 3 LEU CA C 1.234 -10.898 0.223 1.00 . A A . 61 LEU CA 1 1 3 759 1 1 3 LEU CB C 1.704 -12.353 0.359 1.00 . A A . 61 LEU CB 1 1 3 760 1 1 3 LEU CD1 C 3.665 -11.926 -1.170 1.00 . A A . 61 LEU CD1 1 1 3 761 1 1 3 LEU CD2 C 2.872 -14.266 -0.738 1.00 . A A . 61 LEU CD2 1 1 3 762 1 1 3 LEU CG C 2.432 -12.808 -0.916 1.00 . A A . 61 LEU CG 1 1 3 763 1 1 3 LEU H H 0.375 -11.144 2.145 1.00 . A A . 61 LEU H 1 1 3 764 1 1 3 LEU HA H 2.095 -10.262 0.088 1.00 . A A . 61 LEU HA 1 1 3 765 1 1 3 LEU HB2 H 2.378 -12.431 1.200 1.00 . A A . 61 LEU HB2 1 1 3 766 1 1 3 LEU HB3 H 0.848 -12.989 0.527 1.00 . A A . 61 LEU HB3 1 1 3 767 1 1 3 LEU HD11 H 4.379 -12.464 -1.779 1.00 . A A . 61 LEU HD11 1 1 3 768 1 1 3 LEU HD12 H 4.125 -11.661 -0.230 1.00 . A A . 61 LEU HD12 1 1 3 769 1 1 3 LEU HD13 H 3.362 -11.028 -1.689 1.00 . A A . 61 LEU HD13 1 1 3 770 1 1 3 LEU HD21 H 3.558 -14.337 0.092 1.00 . A A . 61 LEU HD21 1 1 3 771 1 1 3 LEU HD22 H 3.360 -14.608 -1.639 1.00 . A A . 61 LEU HD22 1 1 3 772 1 1 3 LEU HD23 H 2.006 -14.883 -0.545 1.00 . A A . 61 LEU HD23 1 1 3 773 1 1 3 LEU HG H 1.762 -12.739 -1.760 1.00 . A A . 61 LEU HG 1 1 3 774 1 1 3 LEU N N 0.534 -10.491 1.434 1.00 . A A . 61 LEU N 1 1 3 775 1 1 3 LEU O O 0.713 -10.230 -2.021 1.00 . A A . 61 LEU O 1 1 3 776 1 1 4 LEU C C -2.187 -9.658 -2.224 1.00 . A A . 62 LEU C 1 1 3 777 1 1 4 LEU CA C -1.890 -11.119 -1.920 1.00 . A A . 62 LEU CA 1 1 3 778 1 1 4 LEU CB C -3.182 -11.841 -1.539 1.00 . A A . 62 LEU CB 1 1 3 779 1 1 4 LEU CD1 C -3.652 -12.410 -3.954 1.00 . A A . 62 LEU CD1 1 1 3 780 1 1 4 LEU CD2 C -5.490 -12.457 -2.248 1.00 . A A . 62 LEU CD2 1 1 3 781 1 1 4 LEU CG C -4.205 -11.747 -2.681 1.00 . A A . 62 LEU CG 1 1 3 782 1 1 4 LEU H H -1.192 -11.618 0.017 1.00 . A A . 62 LEU H 1 1 3 783 1 1 4 LEU HA H -1.472 -11.583 -2.799 1.00 . A A . 62 LEU HA 1 1 3 784 1 1 4 LEU HB2 H -2.966 -12.879 -1.337 1.00 . A A . 62 LEU HB2 1 1 3 785 1 1 4 LEU HB3 H -3.596 -11.382 -0.654 1.00 . A A . 62 LEU HB3 1 1 3 786 1 1 4 LEU HD11 H -3.052 -13.270 -3.686 1.00 . A A . 62 LEU HD11 1 1 3 787 1 1 4 LEU HD12 H -3.042 -11.702 -4.494 1.00 . A A . 62 LEU HD12 1 1 3 788 1 1 4 LEU HD13 H -4.469 -12.728 -4.587 1.00 . A A . 62 LEU HD13 1 1 3 789 1 1 4 LEU HD21 H -5.996 -11.861 -1.503 1.00 . A A . 62 LEU HD21 1 1 3 790 1 1 4 LEU HD22 H -5.243 -13.422 -1.832 1.00 . A A . 62 LEU HD22 1 1 3 791 1 1 4 LEU HD23 H -6.134 -12.588 -3.105 1.00 . A A . 62 LEU HD23 1 1 3 792 1 1 4 LEU HG H -4.424 -10.707 -2.886 1.00 . A A . 62 LEU HG 1 1 3 793 1 1 4 LEU N N -0.924 -11.215 -0.835 1.00 . A A . 62 LEU N 1 1 3 794 1 1 4 LEU O O -2.251 -9.256 -3.385 1.00 . A A . 62 LEU O 1 1 3 795 1 1 5 GLY C C -1.505 -6.818 -2.127 1.00 . A A . 63 GLY C 1 1 3 796 1 1 5 GLY CA C -2.642 -7.452 -1.349 1.00 . A A . 63 GLY CA 1 1 3 797 1 1 5 GLY H H -2.298 -9.233 -0.268 1.00 . A A . 63 GLY H 1 1 3 798 1 1 5 GLY HA2 H -3.571 -7.335 -1.902 1.00 . A A . 63 GLY HA2 1 1 3 799 1 1 5 GLY HA3 H -2.724 -6.974 -0.380 1.00 . A A . 63 GLY HA3 1 1 3 800 1 1 5 GLY N N -2.362 -8.864 -1.172 1.00 . A A . 63 GLY N 1 1 3 801 1 1 5 GLY O O -1.675 -5.788 -2.776 1.00 . A A . 63 GLY O 1 1 3 802 1 1 6 ARG C C 0.733 -7.384 -4.245 1.00 . A A . 64 ARG C 1 1 3 803 1 1 6 ARG CA C 0.823 -6.970 -2.778 1.00 . A A . 64 ARG CA 1 1 3 804 1 1 6 ARG CB C 2.106 -7.533 -2.145 1.00 . A A . 64 ARG CB 1 1 3 805 1 1 6 ARG CD C 4.565 -7.202 -1.853 1.00 . A A . 64 ARG CD 1 1 3 806 1 1 6 ARG CG C 3.305 -6.659 -2.528 1.00 . A A . 64 ARG CG 1 1 3 807 1 1 6 ARG CZ C 5.975 -5.241 -1.570 1.00 . A A . 64 ARG CZ 1 1 3 808 1 1 6 ARG H H -0.275 -8.284 -1.539 1.00 . A A . 64 ARG H 1 1 3 809 1 1 6 ARG HA H 0.841 -5.894 -2.718 1.00 . A A . 64 ARG HA 1 1 3 810 1 1 6 ARG HB2 H 1.997 -7.543 -1.071 1.00 . A A . 64 ARG HB2 1 1 3 811 1 1 6 ARG HB3 H 2.271 -8.539 -2.498 1.00 . A A . 64 ARG HB3 1 1 3 812 1 1 6 ARG HD2 H 4.433 -7.190 -0.782 1.00 . A A . 64 ARG HD2 1 1 3 813 1 1 6 ARG HD3 H 4.735 -8.218 -2.179 1.00 . A A . 64 ARG HD3 1 1 3 814 1 1 6 ARG HE H 6.318 -6.676 -2.924 1.00 . A A . 64 ARG HE 1 1 3 815 1 1 6 ARG HG2 H 3.437 -6.673 -3.599 1.00 . A A . 64 ARG HG2 1 1 3 816 1 1 6 ARG HG3 H 3.133 -5.645 -2.199 1.00 . A A . 64 ARG HG3 1 1 3 817 1 1 6 ARG HH11 H 4.392 -5.388 -0.353 1.00 . A A . 64 ARG HH11 1 1 3 818 1 1 6 ARG HH12 H 5.379 -3.981 -0.135 1.00 . A A . 64 ARG HH12 1 1 3 819 1 1 6 ARG HH21 H 7.617 -4.836 -2.641 1.00 . A A . 64 ARG HH21 1 1 3 820 1 1 6 ARG HH22 H 7.205 -3.668 -1.429 1.00 . A A . 64 ARG HH22 1 1 3 821 1 1 6 ARG N N -0.342 -7.459 -2.064 1.00 . A A . 64 ARG N 1 1 3 822 1 1 6 ARG NE N 5.721 -6.381 -2.206 1.00 . A A . 64 ARG NE 1 1 3 823 1 1 6 ARG NH1 N 5.186 -4.839 -0.611 1.00 . A A . 64 ARG NH1 1 1 3 824 1 1 6 ARG NH2 N 7.014 -4.526 -1.906 1.00 . A A . 64 ARG NH2 1 1 3 825 1 1 6 ARG O O 1.746 -7.627 -4.900 1.00 . A A . 64 ARG O 1 1 3 826 1 1 7 MET C C -2.026 -7.243 -6.656 1.00 . A A . 65 MET C 1 1 3 827 1 1 7 MET CA C -0.723 -7.852 -6.144 1.00 . A A . 65 MET CA 1 1 3 828 1 1 7 MET CB C -0.784 -9.382 -6.257 1.00 . A A . 65 MET CB 1 1 3 829 1 1 7 MET CE C 1.030 -9.887 -9.920 1.00 . A A . 65 MET CE 1 1 3 830 1 1 7 MET CG C -0.546 -9.808 -7.709 1.00 . A A . 65 MET CG 1 1 3 831 1 1 7 MET H H -1.270 -7.268 -4.177 1.00 . A A . 65 MET H 1 1 3 832 1 1 7 MET HA H 0.093 -7.485 -6.746 1.00 . A A . 65 MET HA 1 1 3 833 1 1 7 MET HB2 H -0.022 -9.816 -5.627 1.00 . A A . 65 MET HB2 1 1 3 834 1 1 7 MET HB3 H -1.755 -9.728 -5.938 1.00 . A A . 65 MET HB3 1 1 3 835 1 1 7 MET HE1 H 1.993 -10.198 -10.300 1.00 . A A . 65 MET HE1 1 1 3 836 1 1 7 MET HE2 H 0.695 -9.019 -10.463 1.00 . A A . 65 MET HE2 1 1 3 837 1 1 7 MET HE3 H 0.312 -10.685 -10.047 1.00 . A A . 65 MET HE3 1 1 3 838 1 1 7 MET HG2 H -0.751 -10.868 -7.811 1.00 . A A . 65 MET HG2 1 1 3 839 1 1 7 MET HG3 H -1.203 -9.242 -8.363 1.00 . A A . 65 MET HG3 1 1 3 840 1 1 7 MET N N -0.497 -7.466 -4.753 1.00 . A A . 65 MET N 1 1 3 841 1 1 7 MET O O -2.067 -6.672 -7.746 1.00 . A A . 65 MET O 1 1 3 842 1 1 7 MET SD S 1.177 -9.485 -8.162 1.00 . A A . 65 MET SD 1 1 3 843 1 1 8 LEU C C -4.938 -5.969 -5.062 1.00 . A A . 66 LEU C 1 1 3 844 1 1 8 LEU CA C -4.390 -6.791 -6.221 1.00 . A A . 66 LEU CA 1 1 3 845 1 1 8 LEU CB C -5.368 -7.924 -6.547 1.00 . A A . 66 LEU CB 1 1 3 846 1 1 8 LEU CD1 C -5.732 -9.992 -7.901 1.00 . A A . 66 LEU CD1 1 1 3 847 1 1 8 LEU CD2 C -4.813 -7.938 -9.008 1.00 . A A . 66 LEU CD2 1 1 3 848 1 1 8 LEU CG C -4.832 -8.768 -7.711 1.00 . A A . 66 LEU CG 1 1 3 849 1 1 8 LEU H H -2.988 -7.806 -4.994 1.00 . A A . 66 LEU H 1 1 3 850 1 1 8 LEU HA H -4.294 -6.152 -7.084 1.00 . A A . 66 LEU HA 1 1 3 851 1 1 8 LEU HB2 H -5.489 -8.552 -5.676 1.00 . A A . 66 LEU HB2 1 1 3 852 1 1 8 LEU HB3 H -6.325 -7.505 -6.819 1.00 . A A . 66 LEU HB3 1 1 3 853 1 1 8 LEU HD11 H -5.439 -10.520 -8.795 1.00 . A A . 66 LEU HD11 1 1 3 854 1 1 8 LEU HD12 H -6.759 -9.672 -7.994 1.00 . A A . 66 LEU HD12 1 1 3 855 1 1 8 LEU HD13 H -5.635 -10.647 -7.048 1.00 . A A . 66 LEU HD13 1 1 3 856 1 1 8 LEU HD21 H -5.680 -7.295 -9.043 1.00 . A A . 66 LEU HD21 1 1 3 857 1 1 8 LEU HD22 H -4.823 -8.598 -9.863 1.00 . A A . 66 LEU HD22 1 1 3 858 1 1 8 LEU HD23 H -3.918 -7.335 -9.037 1.00 . A A . 66 LEU HD23 1 1 3 859 1 1 8 LEU HG H -3.828 -9.098 -7.477 1.00 . A A . 66 LEU HG 1 1 3 860 1 1 8 LEU N N -3.086 -7.352 -5.856 1.00 . A A . 66 LEU N 1 1 3 861 1 1 8 LEU O O -6.010 -6.261 -4.533 1.00 . A A . 66 LEU O 1 1 3 862 1 1 9 PRO C C -5.823 -3.167 -3.940 1.00 . A A . 67 PRO C 1 1 3 863 1 1 9 PRO CA C -4.651 -4.061 -3.545 1.00 . A A . 67 PRO CA 1 1 3 864 1 1 9 PRO CB C -3.391 -3.239 -3.237 1.00 . A A . 67 PRO CB 1 1 3 865 1 1 9 PRO CD C -2.934 -4.517 -5.238 1.00 . A A . 67 PRO CD 1 1 3 866 1 1 9 PRO CG C -2.655 -3.181 -4.537 1.00 . A A . 67 PRO CG 1 1 3 867 1 1 9 PRO HA H -4.914 -4.658 -2.690 1.00 . A A . 67 PRO HA 1 1 3 868 1 1 9 PRO HB2 H -3.660 -2.238 -2.902 1.00 . A A . 67 PRO HB2 1 1 3 869 1 1 9 PRO HB3 H -2.787 -3.742 -2.489 1.00 . A A . 67 PRO HB3 1 1 3 870 1 1 9 PRO HD2 H -3.016 -4.374 -6.306 1.00 . A A . 67 PRO HD2 1 1 3 871 1 1 9 PRO HD3 H -2.166 -5.237 -5.006 1.00 . A A . 67 PRO HD3 1 1 3 872 1 1 9 PRO HG2 H -3.031 -2.354 -5.140 1.00 . A A . 67 PRO HG2 1 1 3 873 1 1 9 PRO HG3 H -1.588 -3.073 -4.365 1.00 . A A . 67 PRO HG3 1 1 3 874 1 1 9 PRO N N -4.225 -4.945 -4.665 1.00 . A A . 67 PRO N 1 1 3 875 1 1 9 PRO O O -6.585 -2.709 -3.088 1.00 . A A . 67 PRO O 1 1 3 876 1 1 10 GLN C C -8.111 -2.945 -6.413 1.00 . A A . 68 GLN C 1 1 3 877 1 1 10 GLN CA C -7.038 -2.086 -5.760 1.00 . A A . 68 GLN CA 1 1 3 878 1 1 10 GLN CB C -6.496 -1.073 -6.771 1.00 . A A . 68 GLN CB 1 1 3 879 1 1 10 GLN CD C -5.285 -0.778 -8.943 1.00 . A A . 68 GLN CD 1 1 3 880 1 1 10 GLN CG C -5.816 -1.797 -7.940 1.00 . A A . 68 GLN CG 1 1 3 881 1 1 10 GLN H H -5.318 -3.325 -5.866 1.00 . A A . 68 GLN H 1 1 3 882 1 1 10 GLN HA H -7.490 -1.541 -4.941 1.00 . A A . 68 GLN HA 1 1 3 883 1 1 10 GLN HB2 H -7.318 -0.474 -7.149 1.00 . A A . 68 GLN HB2 1 1 3 884 1 1 10 GLN HB3 H -5.773 -0.432 -6.278 1.00 . A A . 68 GLN HB3 1 1 3 885 1 1 10 GLN HE21 H -3.405 -1.418 -8.814 1.00 . A A . 68 GLN HE21 1 1 3 886 1 1 10 GLN HE22 H -3.667 -0.110 -9.888 1.00 . A A . 68 GLN HE22 1 1 3 887 1 1 10 GLN HG2 H -4.994 -2.390 -7.569 1.00 . A A . 68 GLN HG2 1 1 3 888 1 1 10 GLN HG3 H -6.529 -2.442 -8.432 1.00 . A A . 68 GLN HG3 1 1 3 889 1 1 10 GLN N N -5.959 -2.926 -5.241 1.00 . A A . 68 GLN N 1 1 3 890 1 1 10 GLN NE2 N -4.015 -0.767 -9.239 1.00 . A A . 68 GLN NE2 1 1 3 891 1 1 10 GLN O O -8.646 -2.600 -7.468 1.00 . A A . 68 GLN O 1 1 3 892 1 1 10 GLN OE1 O -6.050 0.033 -9.469 1.00 . A A . 68 GLN OE1 1 1 3 893 1 1 11 LEU C C -9.797 -6.023 -5.253 1.00 . A A . 69 LEU C 1 1 3 894 1 1 11 LEU CA C -9.442 -4.963 -6.294 1.00 . A A . 69 LEU CA 1 1 3 895 1 1 11 LEU CB C -8.932 -5.632 -7.587 1.00 . A A . 69 LEU CB 1 1 3 896 1 1 11 LEU CD1 C -9.563 -6.489 -9.851 1.00 . A A . 69 LEU CD1 1 1 3 897 1 1 11 LEU CD2 C -10.975 -7.055 -7.869 1.00 . A A . 69 LEU CD2 1 1 3 898 1 1 11 LEU CG C -10.106 -5.975 -8.517 1.00 . A A . 69 LEU CG 1 1 3 899 1 1 11 LEU H H -7.967 -4.284 -4.936 1.00 . A A . 69 LEU H 1 1 3 900 1 1 11 LEU HA H -10.327 -4.386 -6.517 1.00 . A A . 69 LEU HA 1 1 3 901 1 1 11 LEU HB2 H -8.265 -4.953 -8.097 1.00 . A A . 69 LEU HB2 1 1 3 902 1 1 11 LEU HB3 H -8.394 -6.536 -7.343 1.00 . A A . 69 LEU HB3 1 1 3 903 1 1 11 LEU HD11 H -9.035 -5.692 -10.356 1.00 . A A . 69 LEU HD11 1 1 3 904 1 1 11 LEU HD12 H -10.383 -6.824 -10.469 1.00 . A A . 69 LEU HD12 1 1 3 905 1 1 11 LEU HD13 H -8.886 -7.311 -9.671 1.00 . A A . 69 LEU HD13 1 1 3 906 1 1 11 LEU HD21 H -11.566 -6.616 -7.078 1.00 . A A . 69 LEU HD21 1 1 3 907 1 1 11 LEU HD22 H -10.345 -7.829 -7.458 1.00 . A A . 69 LEU HD22 1 1 3 908 1 1 11 LEU HD23 H -11.631 -7.482 -8.613 1.00 . A A . 69 LEU HD23 1 1 3 909 1 1 11 LEU HG H -10.699 -5.089 -8.693 1.00 . A A . 69 LEU HG 1 1 3 910 1 1 11 LEU N N -8.427 -4.063 -5.773 1.00 . A A . 69 LEU N 1 1 3 911 1 1 11 LEU O O -10.903 -6.011 -4.712 1.00 . A A . 69 LEU O 1 1 3 912 1 1 12 VAL C C -9.347 -7.317 -2.604 1.00 . A A . 70 VAL C 1 1 3 913 1 1 12 VAL CA C -9.156 -7.959 -3.970 1.00 . A A . 70 VAL CA 1 1 3 914 1 1 12 VAL CB C -8.007 -8.967 -3.912 1.00 . A A . 70 VAL CB 1 1 3 915 1 1 12 VAL CG1 C -8.219 -9.916 -2.729 1.00 . A A . 70 VAL CG1 1 1 3 916 1 1 12 VAL CG2 C -7.978 -9.772 -5.213 1.00 . A A . 70 VAL CG2 1 1 3 917 1 1 12 VAL H H -7.995 -6.902 -5.406 1.00 . A A . 70 VAL H 1 1 3 918 1 1 12 VAL HA H -10.061 -8.474 -4.248 1.00 . A A . 70 VAL HA 1 1 3 919 1 1 12 VAL HB H -7.070 -8.439 -3.791 1.00 . A A . 70 VAL HB 1 1 3 920 1 1 12 VAL HG11 H -7.576 -10.774 -2.834 1.00 . A A . 70 VAL HG11 1 1 3 921 1 1 12 VAL HG12 H -9.250 -10.239 -2.707 1.00 . A A . 70 VAL HG12 1 1 3 922 1 1 12 VAL HG13 H -7.986 -9.400 -1.808 1.00 . A A . 70 VAL HG13 1 1 3 923 1 1 12 VAL HG21 H -7.101 -10.402 -5.230 1.00 . A A . 70 VAL HG21 1 1 3 924 1 1 12 VAL HG22 H -7.954 -9.095 -6.056 1.00 . A A . 70 VAL HG22 1 1 3 925 1 1 12 VAL HG23 H -8.864 -10.388 -5.273 1.00 . A A . 70 VAL HG23 1 1 3 926 1 1 12 VAL N N -8.871 -6.931 -4.964 1.00 . A A . 70 VAL N 1 1 3 927 1 1 12 VAL O O -10.342 -7.556 -1.924 1.00 . A A . 70 VAL O 1 1 3 928 1 1 13 CYS C C -9.612 -4.789 -0.993 1.00 . A A . 71 CYS C 1 1 3 929 1 1 13 CYS CA C -8.467 -5.783 -0.952 1.00 . A A . 71 CYS CA 1 1 3 930 1 1 13 CYS CB C -7.164 -5.043 -0.668 1.00 . A A . 71 CYS CB 1 1 3 931 1 1 13 CYS H H -7.633 -6.316 -2.812 1.00 . A A . 71 CYS H 1 1 3 932 1 1 13 CYS HA H -8.643 -6.498 -0.166 1.00 . A A . 71 CYS HA 1 1 3 933 1 1 13 CYS HB2 H -6.897 -4.445 -1.529 1.00 . A A . 71 CYS HB2 1 1 3 934 1 1 13 CYS HB3 H -7.298 -4.402 0.199 1.00 . A A . 71 CYS HB3 1 1 3 935 1 1 13 CYS HG H -6.148 -7.099 -0.644 1.00 . A A . 71 CYS HG 1 1 3 936 1 1 13 CYS N N -8.392 -6.480 -2.222 1.00 . A A . 71 CYS N 1 1 3 937 1 1 13 CYS O O -10.324 -4.598 -0.013 1.00 . A A . 71 CYS O 1 1 3 938 1 1 13 CYS SG S -5.852 -6.242 -0.330 1.00 . A A . 71 CYS SG 1 1 3 939 1 1 14 ARG C C -12.188 -3.788 -2.067 1.00 . A A . 72 ARG C 1 1 3 940 1 1 14 ARG CA C -10.820 -3.155 -2.301 1.00 . A A . 72 ARG CA 1 1 3 941 1 1 14 ARG CB C -10.751 -2.551 -3.710 1.00 . A A . 72 ARG CB 1 1 3 942 1 1 14 ARG CD C -11.530 -0.279 -2.933 1.00 . A A . 72 ARG CD 1 1 3 943 1 1 14 ARG CG C -11.814 -1.455 -3.881 1.00 . A A . 72 ARG CG 1 1 3 944 1 1 14 ARG CZ C -11.988 0.351 -0.630 1.00 . A A . 72 ARG CZ 1 1 3 945 1 1 14 ARG H H -9.164 -4.331 -2.889 1.00 . A A . 72 ARG H 1 1 3 946 1 1 14 ARG HA H -10.659 -2.377 -1.582 1.00 . A A . 72 ARG HA 1 1 3 947 1 1 14 ARG HB2 H -9.771 -2.127 -3.869 1.00 . A A . 72 ARG HB2 1 1 3 948 1 1 14 ARG HB3 H -10.923 -3.331 -4.438 1.00 . A A . 72 ARG HB3 1 1 3 949 1 1 14 ARG HD2 H -10.465 -0.154 -2.811 1.00 . A A . 72 ARG HD2 1 1 3 950 1 1 14 ARG HD3 H -11.946 0.628 -3.356 1.00 . A A . 72 ARG HD3 1 1 3 951 1 1 14 ARG HE H -12.656 -1.336 -1.478 1.00 . A A . 72 ARG HE 1 1 3 952 1 1 14 ARG HG2 H -11.796 -1.103 -4.902 1.00 . A A . 72 ARG HG2 1 1 3 953 1 1 14 ARG HG3 H -12.789 -1.859 -3.665 1.00 . A A . 72 ARG HG3 1 1 3 954 1 1 14 ARG HH11 H -10.884 1.628 -1.707 1.00 . A A . 72 ARG HH11 1 1 3 955 1 1 14 ARG HH12 H -11.189 2.099 -0.068 1.00 . A A . 72 ARG HH12 1 1 3 956 1 1 14 ARG HH21 H -13.058 -0.726 0.674 1.00 . A A . 72 ARG HH21 1 1 3 957 1 1 14 ARG HH22 H -12.419 0.765 1.279 1.00 . A A . 72 ARG HH22 1 1 3 958 1 1 14 ARG N N -9.771 -4.145 -2.144 1.00 . A A . 72 ARG N 1 1 3 959 1 1 14 ARG NE N -12.136 -0.518 -1.625 1.00 . A A . 72 ARG NE 1 1 3 960 1 1 14 ARG NH1 N -11.300 1.444 -0.817 1.00 . A A . 72 ARG NH1 1 1 3 961 1 1 14 ARG NH2 N -12.532 0.112 0.531 1.00 . A A . 72 ARG NH2 1 1 3 962 1 1 14 ARG O O -13.000 -3.264 -1.307 1.00 . A A . 72 ARG O 1 1 3 963 1 1 15 LEU C C -13.842 -6.146 -1.126 1.00 . A A . 73 LEU C 1 1 3 964 1 1 15 LEU CA C -13.703 -5.620 -2.549 1.00 . A A . 73 LEU CA 1 1 3 965 1 1 15 LEU CB C -13.789 -6.775 -3.548 1.00 . A A . 73 LEU CB 1 1 3 966 1 1 15 LEU CD1 C -16.307 -6.573 -3.621 1.00 . A A . 73 LEU CD1 1 1 3 967 1 1 15 LEU CD2 C -15.164 -8.650 -4.416 1.00 . A A . 73 LEU CD2 1 1 3 968 1 1 15 LEU CG C -15.121 -7.525 -3.386 1.00 . A A . 73 LEU CG 1 1 3 969 1 1 15 LEU H H -11.743 -5.302 -3.290 1.00 . A A . 73 LEU H 1 1 3 970 1 1 15 LEU HA H -14.503 -4.930 -2.750 1.00 . A A . 73 LEU HA 1 1 3 971 1 1 15 LEU HB2 H -13.722 -6.379 -4.557 1.00 . A A . 73 LEU HB2 1 1 3 972 1 1 15 LEU HB3 H -12.969 -7.462 -3.369 1.00 . A A . 73 LEU HB3 1 1 3 973 1 1 15 LEU HD11 H -16.530 -6.045 -2.705 1.00 . A A . 73 LEU HD11 1 1 3 974 1 1 15 LEU HD12 H -17.178 -7.139 -3.922 1.00 . A A . 73 LEU HD12 1 1 3 975 1 1 15 LEU HD13 H -16.057 -5.860 -4.394 1.00 . A A . 73 LEU HD13 1 1 3 976 1 1 15 LEU HD21 H -16.158 -9.070 -4.448 1.00 . A A . 73 LEU HD21 1 1 3 977 1 1 15 LEU HD22 H -14.458 -9.417 -4.139 1.00 . A A . 73 LEU HD22 1 1 3 978 1 1 15 LEU HD23 H -14.907 -8.255 -5.387 1.00 . A A . 73 LEU HD23 1 1 3 979 1 1 15 LEU HG H -15.185 -7.944 -2.395 1.00 . A A . 73 LEU HG 1 1 3 980 1 1 15 LEU N N -12.432 -4.921 -2.710 1.00 . A A . 73 LEU N 1 1 3 981 1 1 15 LEU O O -14.898 -6.030 -0.506 1.00 . A A . 73 LEU O 1 1 3 982 1 1 16 VAL C C -12.943 -6.232 1.786 1.00 . A A . 74 VAL C 1 1 3 983 1 1 16 VAL CA C -12.748 -7.303 0.714 1.00 . A A . 74 VAL CA 1 1 3 984 1 1 16 VAL CB C -11.422 -8.038 0.932 1.00 . A A . 74 VAL CB 1 1 3 985 1 1 16 VAL CG1 C -11.270 -8.420 2.410 1.00 . A A . 74 VAL CG1 1 1 3 986 1 1 16 VAL CG2 C -11.406 -9.313 0.079 1.00 . A A . 74 VAL CG2 1 1 3 987 1 1 16 VAL H H -11.957 -6.804 -1.182 1.00 . A A . 74 VAL H 1 1 3 988 1 1 16 VAL HA H -13.552 -8.019 0.794 1.00 . A A . 74 VAL HA 1 1 3 989 1 1 16 VAL HB H -10.603 -7.393 0.630 1.00 . A A . 74 VAL HB 1 1 3 990 1 1 16 VAL HG11 H -10.478 -9.147 2.517 1.00 . A A . 74 VAL HG11 1 1 3 991 1 1 16 VAL HG12 H -12.197 -8.842 2.768 1.00 . A A . 74 VAL HG12 1 1 3 992 1 1 16 VAL HG13 H -11.030 -7.538 2.989 1.00 . A A . 74 VAL HG13 1 1 3 993 1 1 16 VAL HG21 H -10.394 -9.683 0.000 1.00 . A A . 74 VAL HG21 1 1 3 994 1 1 16 VAL HG22 H -11.787 -9.094 -0.909 1.00 . A A . 74 VAL HG22 1 1 3 995 1 1 16 VAL HG23 H -12.027 -10.065 0.544 1.00 . A A . 74 VAL HG23 1 1 3 996 1 1 16 VAL N N -12.762 -6.738 -0.629 1.00 . A A . 74 VAL N 1 1 3 997 1 1 16 VAL O O -13.741 -6.413 2.707 1.00 . A A . 74 VAL O 1 1 3 998 1 1 17 LEU C C -13.778 -3.526 2.652 1.00 . A A . 75 LEU C 1 1 3 999 1 1 17 LEU CA C -12.357 -4.061 2.668 1.00 . A A . 75 LEU CA 1 1 3 1000 1 1 17 LEU CB C -11.367 -2.926 2.383 1.00 . A A . 75 LEU CB 1 1 3 1001 1 1 17 LEU CD1 C -8.949 -2.335 2.159 1.00 . A A . 75 LEU CD1 1 1 3 1002 1 1 17 LEU CD2 C -9.735 -3.532 4.225 1.00 . A A . 75 LEU CD2 1 1 3 1003 1 1 17 LEU CG C -9.932 -3.380 2.701 1.00 . A A . 75 LEU CG 1 1 3 1004 1 1 17 LEU H H -11.598 -5.016 0.930 1.00 . A A . 75 LEU H 1 1 3 1005 1 1 17 LEU HA H -12.155 -4.468 3.645 1.00 . A A . 75 LEU HA 1 1 3 1006 1 1 17 LEU HB2 H -11.432 -2.656 1.333 1.00 . A A . 75 LEU HB2 1 1 3 1007 1 1 17 LEU HB3 H -11.620 -2.066 2.995 1.00 . A A . 75 LEU HB3 1 1 3 1008 1 1 17 LEU HD11 H -9.234 -1.355 2.514 1.00 . A A . 75 LEU HD11 1 1 3 1009 1 1 17 LEU HD12 H -8.970 -2.347 1.079 1.00 . A A . 75 LEU HD12 1 1 3 1010 1 1 17 LEU HD13 H -7.953 -2.567 2.502 1.00 . A A . 75 LEU HD13 1 1 3 1011 1 1 17 LEU HD21 H -10.329 -2.800 4.751 1.00 . A A . 75 LEU HD21 1 1 3 1012 1 1 17 LEU HD22 H -8.691 -3.388 4.474 1.00 . A A . 75 LEU HD22 1 1 3 1013 1 1 17 LEU HD23 H -10.034 -4.523 4.530 1.00 . A A . 75 LEU HD23 1 1 3 1014 1 1 17 LEU HG H -9.743 -4.328 2.219 1.00 . A A . 75 LEU HG 1 1 3 1015 1 1 17 LEU N N -12.220 -5.122 1.677 1.00 . A A . 75 LEU N 1 1 3 1016 1 1 17 LEU O O -14.387 -3.321 3.701 1.00 . A A . 75 LEU O 1 1 3 1017 1 1 18 ARG C C -16.653 -3.880 1.891 1.00 . A A . 76 ARG C 1 1 3 1018 1 1 18 ARG CA C -15.682 -2.854 1.325 1.00 . A A . 76 ARG CA 1 1 3 1019 1 1 18 ARG CB C -16.020 -2.575 -0.140 1.00 . A A . 76 ARG CB 1 1 3 1020 1 1 18 ARG CD C -15.637 -1.044 -2.073 1.00 . A A . 76 ARG CD 1 1 3 1021 1 1 18 ARG CG C -15.293 -1.314 -0.608 1.00 . A A . 76 ARG CG 1 1 3 1022 1 1 18 ARG CZ C -15.327 -2.115 -4.229 1.00 . A A . 76 ARG CZ 1 1 3 1023 1 1 18 ARG H H -13.788 -3.533 0.649 1.00 . A A . 76 ARG H 1 1 3 1024 1 1 18 ARG HA H -15.779 -1.940 1.884 1.00 . A A . 76 ARG HA 1 1 3 1025 1 1 18 ARG HB2 H -15.705 -3.416 -0.743 1.00 . A A . 76 ARG HB2 1 1 3 1026 1 1 18 ARG HB3 H -17.085 -2.436 -0.245 1.00 . A A . 76 ARG HB3 1 1 3 1027 1 1 18 ARG HD2 H -16.709 -1.037 -2.193 1.00 . A A . 76 ARG HD2 1 1 3 1028 1 1 18 ARG HD3 H -15.240 -0.080 -2.360 1.00 . A A . 76 ARG HD3 1 1 3 1029 1 1 18 ARG HE H -14.478 -2.756 -2.532 1.00 . A A . 76 ARG HE 1 1 3 1030 1 1 18 ARG HG2 H -15.606 -0.475 -0.002 1.00 . A A . 76 ARG HG2 1 1 3 1031 1 1 18 ARG HG3 H -14.228 -1.451 -0.507 1.00 . A A . 76 ARG HG3 1 1 3 1032 1 1 18 ARG HH11 H -16.506 -0.499 -4.194 1.00 . A A . 76 ARG HH11 1 1 3 1033 1 1 18 ARG HH12 H -16.303 -1.247 -5.744 1.00 . A A . 76 ARG HH12 1 1 3 1034 1 1 18 ARG HH21 H -14.205 -3.741 -4.561 1.00 . A A . 76 ARG HH21 1 1 3 1035 1 1 18 ARG HH22 H -14.999 -3.082 -5.951 1.00 . A A . 76 ARG HH22 1 1 3 1036 1 1 18 ARG N N -14.314 -3.331 1.455 1.00 . A A . 76 ARG N 1 1 3 1037 1 1 18 ARG NE N -15.064 -2.077 -2.926 1.00 . A A . 76 ARG NE 1 1 3 1038 1 1 18 ARG NH1 N -16.106 -1.216 -4.764 1.00 . A A . 76 ARG NH1 1 1 3 1039 1 1 18 ARG NH2 N -14.802 -3.053 -4.972 1.00 . A A . 76 ARG NH2 1 1 3 1040 1 1 18 ARG O O -17.634 -3.532 2.547 1.00 . A A . 76 ARG O 1 1 3 1041 1 1 19 CYS C C -17.283 -6.231 3.637 1.00 . A A . 77 CYS C 1 1 3 1042 1 1 19 CYS CA C -17.214 -6.236 2.111 1.00 . A A . 77 CYS CA 1 1 3 1043 1 1 19 CYS CB C -16.658 -7.576 1.626 1.00 . A A . 77 CYS CB 1 1 3 1044 1 1 19 CYS H H -15.571 -5.366 1.103 1.00 . A A . 77 CYS H 1 1 3 1045 1 1 19 CYS HA H -18.209 -6.107 1.714 1.00 . A A . 77 CYS HA 1 1 3 1046 1 1 19 CYS HB2 H -16.622 -7.580 0.541 1.00 . A A . 77 CYS HB2 1 1 3 1047 1 1 19 CYS HB3 H -15.660 -7.718 2.028 1.00 . A A . 77 CYS HB3 1 1 3 1048 1 1 19 CYS HG H -18.484 -8.512 2.646 1.00 . A A . 77 CYS HG 1 1 3 1049 1 1 19 CYS N N -16.369 -5.154 1.631 1.00 . A A . 77 CYS N 1 1 3 1050 1 1 19 CYS O O -18.360 -6.342 4.220 1.00 . A A . 77 CYS O 1 1 3 1051 1 1 19 CYS SG S -17.736 -8.912 2.196 1.00 . A A . 77 CYS SG 1 1 3 1052 1 1 20 SER C C -16.859 -4.918 6.297 1.00 . A A . 78 SER C 1 1 3 1053 1 1 20 SER CA C -16.060 -6.090 5.728 1.00 . A A . 78 SER CA 1 1 3 1054 1 1 20 SER CB C -14.606 -5.984 6.186 1.00 . A A . 78 SER CB 1 1 3 1055 1 1 20 SER H H -15.297 -6.021 3.754 1.00 . A A . 78 SER H 1 1 3 1056 1 1 20 SER HA H -16.476 -7.011 6.106 1.00 . A A . 78 SER HA 1 1 3 1057 1 1 20 SER HB2 H -14.049 -6.840 5.823 1.00 . A A . 78 SER HB2 1 1 3 1058 1 1 20 SER HB3 H -14.169 -5.069 5.789 1.00 . A A . 78 SER HB3 1 1 3 1059 1 1 20 SER HG H -13.651 -5.818 7.873 1.00 . A A . 78 SER HG 1 1 3 1060 1 1 20 SER N N -16.124 -6.104 4.273 1.00 . A A . 78 SER N 1 1 3 1061 1 1 20 SER O O -17.576 -5.068 7.286 1.00 . A A . 78 SER O 1 1 3 1062 1 1 20 SER OG O -14.562 -5.967 7.606 1.00 . A A . 78 SER OG 1 1 3 1063 1 1 21 MET C C -18.844 -2.506 5.551 1.00 . A A . 79 MET C 1 1 3 1064 1 1 21 MET CA C -17.434 -2.558 6.130 1.00 . A A . 79 MET CA 1 1 3 1065 1 1 21 MET CB C -16.663 -1.305 5.713 1.00 . A A . 79 MET CB 1 1 3 1066 1 1 21 MET CE C -12.847 -0.194 6.793 1.00 . A A . 79 MET CE 1 1 3 1067 1 1 21 MET CG C -15.303 -1.289 6.413 1.00 . A A . 79 MET CG 1 1 3 1068 1 1 21 MET H H -16.133 -3.690 4.890 1.00 . A A . 79 MET H 1 1 3 1069 1 1 21 MET HA H -17.498 -2.581 7.208 1.00 . A A . 79 MET HA 1 1 3 1070 1 1 21 MET HB2 H -16.515 -1.316 4.637 1.00 . A A . 79 MET HB2 1 1 3 1071 1 1 21 MET HB3 H -17.226 -0.423 6.000 1.00 . A A . 79 MET HB3 1 1 3 1072 1 1 21 MET HE1 H -12.047 0.433 6.424 1.00 . A A . 79 MET HE1 1 1 3 1073 1 1 21 MET HE2 H -12.578 -1.229 6.663 1.00 . A A . 79 MET HE2 1 1 3 1074 1 1 21 MET HE3 H -13.013 0.003 7.843 1.00 . A A . 79 MET HE3 1 1 3 1075 1 1 21 MET HG2 H -15.447 -1.242 7.482 1.00 . A A . 79 MET HG2 1 1 3 1076 1 1 21 MET HG3 H -14.757 -2.186 6.163 1.00 . A A . 79 MET HG3 1 1 3 1077 1 1 21 MET N N -16.724 -3.751 5.670 1.00 . A A . 79 MET N 1 1 3 1078 1 1 21 MET O O -19.663 -1.686 5.967 1.00 . A A . 79 MET O 1 1 3 1079 1 1 21 MET SD S -14.363 0.160 5.868 1.00 . A A . 79 MET SD 1 1 3 1080 1 1 22 ASP C C -20.761 -4.841 3.483 1.00 . A A . 80 ASP C 1 1 3 1081 1 1 22 ASP CA C -20.448 -3.429 3.967 1.00 . A A . 80 ASP CA 1 1 3 1082 1 1 22 ASP CB C -20.506 -2.457 2.788 1.00 . A A . 80 ASP CB 1 1 3 1083 1 1 22 ASP CG C -21.903 -2.467 2.172 1.00 . A A . 80 ASP CG 1 1 3 1084 1 1 22 ASP H H -18.435 -4.016 4.301 1.00 . A A . 80 ASP H 1 1 3 1085 1 1 22 ASP HA H -21.193 -3.138 4.694 1.00 . A A . 80 ASP HA 1 1 3 1086 1 1 22 ASP HB2 H -20.273 -1.460 3.133 1.00 . A A . 80 ASP HB2 1 1 3 1087 1 1 22 ASP HB3 H -19.788 -2.754 2.040 1.00 . A A . 80 ASP HB3 1 1 3 1088 1 1 22 ASP N N -19.126 -3.385 4.592 1.00 . A A . 80 ASP N 1 1 3 1089 1 1 22 ASP O O -20.777 -5.044 2.279 1.00 . A A . 80 ASP O 1 1 3 1090 1 1 22 ASP OXT O -20.983 -5.698 4.321 1.00 . A A . 80 ASP OXT 1 1 3 1091 1 1 22 ASP OD1 O -22.704 -3.288 2.587 1.00 . A A . 80 ASP OD1 1 1 3 1092 1 1 22 ASP OD2 O -22.150 -1.652 1.298 1.00 . A A . 80 ASP OD2 1 1 4 1093 1 1 1 ASP C C 0.385 -6.823 3.544 1.00 . A A . 59 ASP C 1 1 4 1094 1 1 1 ASP CA C -0.054 -5.392 3.835 1.00 . A A . 59 ASP CA 1 1 4 1095 1 1 1 ASP CB C -0.743 -5.324 5.198 1.00 . A A . 59 ASP CB 1 1 4 1096 1 1 1 ASP CG C 0.225 -5.763 6.292 1.00 . A A . 59 ASP CG 1 1 4 1097 1 1 1 ASP H1 H -1.980 -5.088 3.104 1.00 . A A . 59 ASP H1 1 1 4 1098 1 1 1 ASP H2 H -0.842 -5.493 1.909 1.00 . A A . 59 ASP H2 1 1 4 1099 1 1 1 ASP H3 H -0.853 -3.933 2.582 1.00 . A A . 59 ASP H3 1 1 4 1100 1 1 1 ASP HA H 0.811 -4.746 3.837 1.00 . A A . 59 ASP HA 1 1 4 1101 1 1 1 ASP HB2 H -1.062 -4.304 5.389 1.00 . A A . 59 ASP HB2 1 1 4 1102 1 1 1 ASP HB3 H -1.606 -5.985 5.198 1.00 . A A . 59 ASP HB3 1 1 4 1103 1 1 1 ASP N N -1.004 -4.942 2.778 1.00 . A A . 59 ASP N 1 1 4 1104 1 1 1 ASP O O 1.523 -7.204 3.825 1.00 . A A . 59 ASP O 1 1 4 1105 1 1 1 ASP OD1 O 1.320 -6.180 5.954 1.00 . A A . 59 ASP OD1 1 1 4 1106 1 1 1 ASP OD2 O -0.143 -5.675 7.452 1.00 . A A . 59 ASP OD2 1 1 4 1107 1 1 2 THR C C 0.501 -9.090 1.314 1.00 . A A . 60 THR C 1 1 4 1108 1 1 2 THR CA C -0.224 -9.000 2.649 1.00 . A A . 60 THR CA 1 1 4 1109 1 1 2 THR CB C -1.520 -9.812 2.583 1.00 . A A . 60 THR CB 1 1 4 1110 1 1 2 THR CG2 C -2.269 -9.691 3.913 1.00 . A A . 60 THR CG2 1 1 4 1111 1 1 2 THR H H -1.411 -7.252 2.774 1.00 . A A . 60 THR H 1 1 4 1112 1 1 2 THR HA H 0.408 -9.416 3.416 1.00 . A A . 60 THR HA 1 1 4 1113 1 1 2 THR HB H -1.287 -10.849 2.399 1.00 . A A . 60 THR HB 1 1 4 1114 1 1 2 THR HG1 H -3.250 -9.361 1.818 1.00 . A A . 60 THR HG1 1 1 4 1115 1 1 2 THR HG21 H -2.601 -8.672 4.047 1.00 . A A . 60 THR HG21 1 1 4 1116 1 1 2 THR HG22 H -1.609 -9.965 4.722 1.00 . A A . 60 THR HG22 1 1 4 1117 1 1 2 THR HG23 H -3.123 -10.350 3.906 1.00 . A A . 60 THR HG23 1 1 4 1118 1 1 2 THR N N -0.523 -7.611 2.978 1.00 . A A . 60 THR N 1 1 4 1119 1 1 2 THR O O 0.523 -8.129 0.543 1.00 . A A . 60 THR O 1 1 4 1120 1 1 2 THR OG1 O -2.336 -9.315 1.531 1.00 . A A . 60 THR OG1 1 1 4 1121 1 1 3 LEU C C 0.851 -10.343 -1.379 1.00 . A A . 61 LEU C 1 1 4 1122 1 1 3 LEU CA C 1.813 -10.448 -0.202 1.00 . A A . 61 LEU CA 1 1 4 1123 1 1 3 LEU CB C 2.482 -11.826 -0.207 1.00 . A A . 61 LEU CB 1 1 4 1124 1 1 3 LEU CD1 C 4.123 -13.311 0.952 1.00 . A A . 61 LEU CD1 1 1 4 1125 1 1 3 LEU CD2 C 4.787 -10.956 0.377 1.00 . A A . 61 LEU CD2 1 1 4 1126 1 1 3 LEU CG C 3.625 -11.867 0.820 1.00 . A A . 61 LEU CG 1 1 4 1127 1 1 3 LEU H H 1.039 -10.974 1.699 1.00 . A A . 61 LEU H 1 1 4 1128 1 1 3 LEU HA H 2.569 -9.686 -0.300 1.00 . A A . 61 LEU HA 1 1 4 1129 1 1 3 LEU HB2 H 1.748 -12.577 0.045 1.00 . A A . 61 LEU HB2 1 1 4 1130 1 1 3 LEU HB3 H 2.876 -12.030 -1.191 1.00 . A A . 61 LEU HB3 1 1 4 1131 1 1 3 LEU HD11 H 4.979 -13.337 1.607 1.00 . A A . 61 LEU HD11 1 1 4 1132 1 1 3 LEU HD12 H 4.404 -13.684 -0.022 1.00 . A A . 61 LEU HD12 1 1 4 1133 1 1 3 LEU HD13 H 3.336 -13.927 1.361 1.00 . A A . 61 LEU HD13 1 1 4 1134 1 1 3 LEU HD21 H 5.717 -11.316 0.799 1.00 . A A . 61 LEU HD21 1 1 4 1135 1 1 3 LEU HD22 H 4.610 -9.948 0.728 1.00 . A A . 61 LEU HD22 1 1 4 1136 1 1 3 LEU HD23 H 4.864 -10.950 -0.701 1.00 . A A . 61 LEU HD23 1 1 4 1137 1 1 3 LEU HG H 3.251 -11.534 1.778 1.00 . A A . 61 LEU HG 1 1 4 1138 1 1 3 LEU N N 1.092 -10.247 1.047 1.00 . A A . 61 LEU N 1 1 4 1139 1 1 3 LEU O O 1.181 -9.763 -2.411 1.00 . A A . 61 LEU O 1 1 4 1140 1 1 4 LEU C C -1.751 -9.406 -2.520 1.00 . A A . 62 LEU C 1 1 4 1141 1 1 4 LEU CA C -1.344 -10.848 -2.266 1.00 . A A . 62 LEU CA 1 1 4 1142 1 1 4 LEU CB C -2.570 -11.669 -1.867 1.00 . A A . 62 LEU CB 1 1 4 1143 1 1 4 LEU CD1 C -3.074 -12.213 -4.280 1.00 . A A . 62 LEU CD1 1 1 4 1144 1 1 4 LEU CD2 C -4.850 -12.428 -2.523 1.00 . A A . 62 LEU CD2 1 1 4 1145 1 1 4 LEU CG C -3.632 -11.620 -2.976 1.00 . A A . 62 LEU CG 1 1 4 1146 1 1 4 LEU H H -0.554 -11.343 -0.364 1.00 . A A . 62 LEU H 1 1 4 1147 1 1 4 LEU HA H -0.920 -11.261 -3.168 1.00 . A A . 62 LEU HA 1 1 4 1148 1 1 4 LEU HB2 H -2.273 -12.694 -1.700 1.00 . A A . 62 LEU HB2 1 1 4 1149 1 1 4 LEU HB3 H -2.985 -11.263 -0.957 1.00 . A A . 62 LEU HB3 1 1 4 1150 1 1 4 LEU HD11 H -3.887 -12.569 -4.898 1.00 . A A . 62 LEU HD11 1 1 4 1151 1 1 4 LEU HD12 H -2.411 -13.036 -4.053 1.00 . A A . 62 LEU HD12 1 1 4 1152 1 1 4 LEU HD13 H -2.529 -11.450 -4.818 1.00 . A A . 62 LEU HD13 1 1 4 1153 1 1 4 LEU HD21 H -4.524 -13.378 -2.129 1.00 . A A . 62 LEU HD21 1 1 4 1154 1 1 4 LEU HD22 H -5.502 -12.594 -3.367 1.00 . A A . 62 LEU HD22 1 1 4 1155 1 1 4 LEU HD23 H -5.380 -11.881 -1.757 1.00 . A A . 62 LEU HD23 1 1 4 1156 1 1 4 LEU HG H -3.928 -10.594 -3.149 1.00 . A A . 62 LEU HG 1 1 4 1157 1 1 4 LEU N N -0.341 -10.900 -1.212 1.00 . A A . 62 LEU N 1 1 4 1158 1 1 4 LEU O O -1.868 -8.975 -3.667 1.00 . A A . 62 LEU O 1 1 4 1159 1 1 5 GLY C C -1.260 -6.526 -2.335 1.00 . A A . 63 GLY C 1 1 4 1160 1 1 5 GLY CA C -2.342 -7.264 -1.567 1.00 . A A . 63 GLY CA 1 1 4 1161 1 1 5 GLY H H -1.848 -9.049 -0.549 1.00 . A A . 63 GLY H 1 1 4 1162 1 1 5 GLY HA2 H -3.283 -7.195 -2.106 1.00 . A A . 63 GLY HA2 1 1 4 1163 1 1 5 GLY HA3 H -2.445 -6.824 -0.583 1.00 . A A . 63 GLY HA3 1 1 4 1164 1 1 5 GLY N N -1.959 -8.659 -1.441 1.00 . A A . 63 GLY N 1 1 4 1165 1 1 5 GLY O O -1.508 -5.488 -2.944 1.00 . A A . 63 GLY O 1 1 4 1166 1 1 6 ARG C C 0.977 -6.850 -4.501 1.00 . A A . 64 ARG C 1 1 4 1167 1 1 6 ARG CA C 1.065 -6.500 -3.018 1.00 . A A . 64 ARG CA 1 1 4 1168 1 1 6 ARG CB C 2.391 -7.014 -2.432 1.00 . A A . 64 ARG CB 1 1 4 1169 1 1 6 ARG CD C 3.521 -4.863 -1.717 1.00 . A A . 64 ARG CD 1 1 4 1170 1 1 6 ARG CG C 3.534 -6.025 -2.723 1.00 . A A . 64 ARG CG 1 1 4 1171 1 1 6 ARG CZ C 4.915 -2.960 -1.144 1.00 . A A . 64 ARG CZ 1 1 4 1172 1 1 6 ARG H H 0.071 -7.928 -1.816 1.00 . A A . 64 ARG H 1 1 4 1173 1 1 6 ARG HA H 1.016 -5.434 -2.911 1.00 . A A . 64 ARG HA 1 1 4 1174 1 1 6 ARG HB2 H 2.284 -7.134 -1.363 1.00 . A A . 64 ARG HB2 1 1 4 1175 1 1 6 ARG HB3 H 2.633 -7.973 -2.869 1.00 . A A . 64 ARG HB3 1 1 4 1176 1 1 6 ARG HD2 H 2.659 -4.240 -1.890 1.00 . A A . 64 ARG HD2 1 1 4 1177 1 1 6 ARG HD3 H 3.480 -5.258 -0.712 1.00 . A A . 64 ARG HD3 1 1 4 1178 1 1 6 ARG HE H 5.411 -4.331 -2.515 1.00 . A A . 64 ARG HE 1 1 4 1179 1 1 6 ARG HG2 H 4.480 -6.543 -2.656 1.00 . A A . 64 ARG HG2 1 1 4 1180 1 1 6 ARG HG3 H 3.418 -5.630 -3.723 1.00 . A A . 64 ARG HG3 1 1 4 1181 1 1 6 ARG HH11 H 3.178 -3.126 -0.161 1.00 . A A . 64 ARG HH11 1 1 4 1182 1 1 6 ARG HH12 H 4.154 -1.759 0.265 1.00 . A A . 64 ARG HH12 1 1 4 1183 1 1 6 ARG HH21 H 6.694 -2.541 -1.961 1.00 . A A . 64 ARG HH21 1 1 4 1184 1 1 6 ARG HH22 H 6.143 -1.428 -0.753 1.00 . A A . 64 ARG HH22 1 1 4 1185 1 1 6 ARG N N -0.057 -7.090 -2.310 1.00 . A A . 64 ARG N 1 1 4 1186 1 1 6 ARG NE N 4.728 -4.059 -1.869 1.00 . A A . 64 ARG NE 1 1 4 1187 1 1 6 ARG NH1 N 4.011 -2.585 -0.279 1.00 . A A . 64 ARG NH1 1 1 4 1188 1 1 6 ARG NH2 N 6.001 -2.254 -1.297 1.00 . A A . 64 ARG NH2 1 1 4 1189 1 1 6 ARG O O 1.993 -6.970 -5.184 1.00 . A A . 64 ARG O 1 1 4 1190 1 1 7 MET C C -1.835 -6.838 -6.854 1.00 . A A . 65 MET C 1 1 4 1191 1 1 7 MET CA C -0.475 -7.353 -6.394 1.00 . A A . 65 MET CA 1 1 4 1192 1 1 7 MET CB C -0.406 -8.873 -6.581 1.00 . A A . 65 MET CB 1 1 4 1193 1 1 7 MET CE C 2.222 -9.854 -8.288 1.00 . A A . 65 MET CE 1 1 4 1194 1 1 7 MET CG C -0.438 -9.222 -8.074 1.00 . A A . 65 MET CG 1 1 4 1195 1 1 7 MET H H -1.026 -6.914 -4.392 1.00 . A A . 65 MET H 1 1 4 1196 1 1 7 MET HA H 0.294 -6.890 -6.991 1.00 . A A . 65 MET HA 1 1 4 1197 1 1 7 MET HB2 H 0.508 -9.246 -6.143 1.00 . A A . 65 MET HB2 1 1 4 1198 1 1 7 MET HB3 H -1.251 -9.331 -6.091 1.00 . A A . 65 MET HB3 1 1 4 1199 1 1 7 MET HE1 H 2.508 -9.621 -7.272 1.00 . A A . 65 MET HE1 1 1 4 1200 1 1 7 MET HE2 H 3.101 -9.857 -8.913 1.00 . A A . 65 MET HE2 1 1 4 1201 1 1 7 MET HE3 H 1.758 -10.828 -8.323 1.00 . A A . 65 MET HE3 1 1 4 1202 1 1 7 MET HG2 H -0.492 -10.299 -8.190 1.00 . A A . 65 MET HG2 1 1 4 1203 1 1 7 MET HG3 H -1.310 -8.763 -8.530 1.00 . A A . 65 MET HG3 1 1 4 1204 1 1 7 MET N N -0.254 -7.015 -4.990 1.00 . A A . 65 MET N 1 1 4 1205 1 1 7 MET O O -1.952 -6.242 -7.925 1.00 . A A . 65 MET O 1 1 4 1206 1 1 7 MET SD S 1.060 -8.600 -8.890 1.00 . A A . 65 MET SD 1 1 4 1207 1 1 8 LEU C C -4.799 -5.845 -5.152 1.00 . A A . 66 LEU C 1 1 4 1208 1 1 8 LEU CA C -4.216 -6.594 -6.345 1.00 . A A . 66 LEU CA 1 1 4 1209 1 1 8 LEU CB C -5.103 -7.797 -6.677 1.00 . A A . 66 LEU CB 1 1 4 1210 1 1 8 LEU CD1 C -5.319 -9.862 -8.070 1.00 . A A . 66 LEU CD1 1 1 4 1211 1 1 8 LEU CD2 C -4.610 -7.713 -9.151 1.00 . A A . 66 LEU CD2 1 1 4 1212 1 1 8 LEU CG C -4.525 -8.568 -7.873 1.00 . A A . 66 LEU CG 1 1 4 1213 1 1 8 LEU H H -2.703 -7.525 -5.185 1.00 . A A . 66 LEU H 1 1 4 1214 1 1 8 LEU HA H -4.196 -5.926 -7.193 1.00 . A A . 66 LEU HA 1 1 4 1215 1 1 8 LEU HB2 H -5.152 -8.451 -5.819 1.00 . A A . 66 LEU HB2 1 1 4 1216 1 1 8 LEU HB3 H -6.097 -7.455 -6.919 1.00 . A A . 66 LEU HB3 1 1 4 1217 1 1 8 LEU HD11 H -6.374 -9.635 -8.105 1.00 . A A . 66 LEU HD11 1 1 4 1218 1 1 8 LEU HD12 H -5.122 -10.533 -7.247 1.00 . A A . 66 LEU HD12 1 1 4 1219 1 1 8 LEU HD13 H -5.021 -10.330 -8.995 1.00 . A A . 66 LEU HD13 1 1 4 1220 1 1 8 LEU HD21 H -5.535 -7.154 -9.156 1.00 . A A . 66 LEU HD21 1 1 4 1221 1 1 8 LEU HD22 H -4.576 -8.354 -10.021 1.00 . A A . 66 LEU HD22 1 1 4 1222 1 1 8 LEU HD23 H -3.777 -7.029 -9.184 1.00 . A A . 66 LEU HD23 1 1 4 1223 1 1 8 LEU HG H -3.491 -8.813 -7.671 1.00 . A A . 66 LEU HG 1 1 4 1224 1 1 8 LEU N N -2.860 -7.054 -6.029 1.00 . A A . 66 LEU N 1 1 4 1225 1 1 8 LEU O O -5.830 -6.238 -4.607 1.00 . A A . 66 LEU O 1 1 4 1226 1 1 9 PRO C C -5.862 -3.138 -3.929 1.00 . A A . 67 PRO C 1 1 4 1227 1 1 9 PRO CA C -4.623 -3.961 -3.586 1.00 . A A . 67 PRO CA 1 1 4 1228 1 1 9 PRO CB C -3.419 -3.061 -3.278 1.00 . A A . 67 PRO CB 1 1 4 1229 1 1 9 PRO CD C -2.919 -4.238 -5.329 1.00 . A A . 67 PRO CD 1 1 4 1230 1 1 9 PRO CG C -2.721 -2.908 -4.594 1.00 . A A . 67 PRO CG 1 1 4 1231 1 1 9 PRO HA H -4.823 -4.599 -2.745 1.00 . A A . 67 PRO HA 1 1 4 1232 1 1 9 PRO HB2 H -3.750 -2.093 -2.903 1.00 . A A . 67 PRO HB2 1 1 4 1233 1 1 9 PRO HB3 H -2.760 -3.542 -2.562 1.00 . A A . 67 PRO HB3 1 1 4 1234 1 1 9 PRO HD2 H -3.040 -4.069 -6.392 1.00 . A A . 67 PRO HD2 1 1 4 1235 1 1 9 PRO HD3 H -2.093 -4.905 -5.141 1.00 . A A . 67 PRO HD3 1 1 4 1236 1 1 9 PRO HG2 H -3.171 -2.093 -5.159 1.00 . A A . 67 PRO HG2 1 1 4 1237 1 1 9 PRO HG3 H -1.661 -2.725 -4.441 1.00 . A A . 67 PRO HG3 1 1 4 1238 1 1 9 PRO N N -4.157 -4.781 -4.741 1.00 . A A . 67 PRO N 1 1 4 1239 1 1 9 PRO O O -6.633 -2.761 -3.048 1.00 . A A . 67 PRO O 1 1 4 1240 1 1 10 GLN C C -8.224 -2.978 -6.336 1.00 . A A . 68 GLN C 1 1 4 1241 1 1 10 GLN CA C -7.187 -2.077 -5.685 1.00 . A A . 68 GLN CA 1 1 4 1242 1 1 10 GLN CB C -6.736 -1.000 -6.674 1.00 . A A . 68 GLN CB 1 1 4 1243 1 1 10 GLN CD C -5.608 -0.561 -8.865 1.00 . A A . 68 GLN CD 1 1 4 1244 1 1 10 GLN CG C -6.054 -1.643 -7.888 1.00 . A A . 68 GLN CG 1 1 4 1245 1 1 10 GLN H H -5.390 -3.190 -5.871 1.00 . A A . 68 GLN H 1 1 4 1246 1 1 10 GLN HA H -7.649 -1.587 -4.836 1.00 . A A . 68 GLN HA 1 1 4 1247 1 1 10 GLN HB2 H -7.606 -0.439 -7.006 1.00 . A A . 68 GLN HB2 1 1 4 1248 1 1 10 GLN HB3 H -6.037 -0.332 -6.181 1.00 . A A . 68 GLN HB3 1 1 4 1249 1 1 10 GLN HE21 H -3.695 -1.111 -8.820 1.00 . A A . 68 GLN HE21 1 1 4 1250 1 1 10 GLN HE22 H -4.054 0.223 -9.833 1.00 . A A . 68 GLN HE22 1 1 4 1251 1 1 10 GLN HG2 H -5.192 -2.202 -7.560 1.00 . A A . 68 GLN HG2 1 1 4 1252 1 1 10 GLN HG3 H -6.745 -2.307 -8.382 1.00 . A A . 68 GLN HG3 1 1 4 1253 1 1 10 GLN N N -6.041 -2.860 -5.219 1.00 . A A . 68 GLN N 1 1 4 1254 1 1 10 GLN NE2 N -4.349 -0.477 -9.199 1.00 . A A . 68 GLN NE2 1 1 4 1255 1 1 10 GLN O O -8.817 -2.629 -7.357 1.00 . A A . 68 GLN O 1 1 4 1256 1 1 10 GLN OE1 O -6.428 0.228 -9.336 1.00 . A A . 68 GLN OE1 1 1 4 1257 1 1 11 LEU C C -9.665 -6.199 -5.249 1.00 . A A . 69 LEU C 1 1 4 1258 1 1 11 LEU CA C -9.419 -5.082 -6.255 1.00 . A A . 69 LEU CA 1 1 4 1259 1 1 11 LEU CB C -8.916 -5.663 -7.583 1.00 . A A . 69 LEU CB 1 1 4 1260 1 1 11 LEU CD1 C -11.279 -5.996 -8.404 1.00 . A A . 69 LEU CD1 1 1 4 1261 1 1 11 LEU CD2 C -9.374 -7.237 -9.465 1.00 . A A . 69 LEU CD2 1 1 4 1262 1 1 11 LEU CG C -9.924 -6.678 -8.149 1.00 . A A . 69 LEU CG 1 1 4 1263 1 1 11 LEU H H -7.944 -4.362 -4.918 1.00 . A A . 69 LEU H 1 1 4 1264 1 1 11 LEU HA H -10.345 -4.559 -6.433 1.00 . A A . 69 LEU HA 1 1 4 1265 1 1 11 LEU HB2 H -8.781 -4.861 -8.294 1.00 . A A . 69 LEU HB2 1 1 4 1266 1 1 11 LEU HB3 H -7.970 -6.155 -7.419 1.00 . A A . 69 LEU HB3 1 1 4 1267 1 1 11 LEU HD11 H -11.118 -4.986 -8.756 1.00 . A A . 69 LEU HD11 1 1 4 1268 1 1 11 LEU HD12 H -11.848 -5.973 -7.487 1.00 . A A . 69 LEU HD12 1 1 4 1269 1 1 11 LEU HD13 H -11.831 -6.551 -9.150 1.00 . A A . 69 LEU HD13 1 1 4 1270 1 1 11 LEU HD21 H -9.372 -6.460 -10.215 1.00 . A A . 69 LEU HD21 1 1 4 1271 1 1 11 LEU HD22 H -9.997 -8.055 -9.796 1.00 . A A . 69 LEU HD22 1 1 4 1272 1 1 11 LEU HD23 H -8.365 -7.593 -9.312 1.00 . A A . 69 LEU HD23 1 1 4 1273 1 1 11 LEU HG H -10.057 -7.487 -7.447 1.00 . A A . 69 LEU HG 1 1 4 1274 1 1 11 LEU N N -8.446 -4.137 -5.731 1.00 . A A . 69 LEU N 1 1 4 1275 1 1 11 LEU O O -10.754 -6.293 -4.682 1.00 . A A . 69 LEU O 1 1 4 1276 1 1 12 VAL C C -9.052 -7.548 -2.662 1.00 . A A . 70 VAL C 1 1 4 1277 1 1 12 VAL CA C -8.843 -8.127 -4.055 1.00 . A A . 70 VAL CA 1 1 4 1278 1 1 12 VAL CB C -7.622 -9.043 -4.060 1.00 . A A . 70 VAL CB 1 1 4 1279 1 1 12 VAL CG1 C -7.728 -10.046 -2.908 1.00 . A A . 70 VAL CG1 1 1 4 1280 1 1 12 VAL CG2 C -7.564 -9.798 -5.389 1.00 . A A . 70 VAL CG2 1 1 4 1281 1 1 12 VAL H H -7.807 -6.933 -5.477 1.00 . A A . 70 VAL H 1 1 4 1282 1 1 12 VAL HA H -9.715 -8.702 -4.331 1.00 . A A . 70 VAL HA 1 1 4 1283 1 1 12 VAL HB H -6.725 -8.447 -3.941 1.00 . A A . 70 VAL HB 1 1 4 1284 1 1 12 VAL HG11 H -7.022 -10.847 -3.058 1.00 . A A . 70 VAL HG11 1 1 4 1285 1 1 12 VAL HG12 H -8.729 -10.450 -2.875 1.00 . A A . 70 VAL HG12 1 1 4 1286 1 1 12 VAL HG13 H -7.512 -9.546 -1.973 1.00 . A A . 70 VAL HG13 1 1 4 1287 1 1 12 VAL HG21 H -7.638 -9.094 -6.205 1.00 . A A . 70 VAL HG21 1 1 4 1288 1 1 12 VAL HG22 H -8.388 -10.496 -5.440 1.00 . A A . 70 VAL HG22 1 1 4 1289 1 1 12 VAL HG23 H -6.630 -10.336 -5.460 1.00 . A A . 70 VAL HG23 1 1 4 1290 1 1 12 VAL N N -8.665 -7.045 -5.015 1.00 . A A . 70 VAL N 1 1 4 1291 1 1 12 VAL O O -10.011 -7.885 -1.972 1.00 . A A . 70 VAL O 1 1 4 1292 1 1 13 CYS C C -9.470 -5.099 -0.970 1.00 . A A . 71 CYS C 1 1 4 1293 1 1 13 CYS CA C -8.255 -6.008 -0.976 1.00 . A A . 71 CYS CA 1 1 4 1294 1 1 13 CYS CB C -6.998 -5.192 -0.686 1.00 . A A . 71 CYS CB 1 1 4 1295 1 1 13 CYS H H -7.425 -6.413 -2.869 1.00 . A A . 71 CYS H 1 1 4 1296 1 1 13 CYS HA H -8.369 -6.761 -0.212 1.00 . A A . 71 CYS HA 1 1 4 1297 1 1 13 CYS HB2 H -6.785 -4.550 -1.530 1.00 . A A . 71 CYS HB2 1 1 4 1298 1 1 13 CYS HB3 H -7.157 -4.588 0.203 1.00 . A A . 71 CYS HB3 1 1 4 1299 1 1 13 CYS HG H -5.835 -7.167 -0.778 1.00 . A A . 71 CYS HG 1 1 4 1300 1 1 13 CYS N N -8.153 -6.655 -2.270 1.00 . A A . 71 CYS N 1 1 4 1301 1 1 13 CYS O O -10.184 -4.998 0.024 1.00 . A A . 71 CYS O 1 1 4 1302 1 1 13 CYS SG S -5.605 -6.312 -0.409 1.00 . A A . 71 CYS SG 1 1 4 1303 1 1 14 ARG C C -12.127 -4.278 -2.011 1.00 . A A . 72 ARG C 1 1 4 1304 1 1 14 ARG CA C -10.818 -3.525 -2.217 1.00 . A A . 72 ARG CA 1 1 4 1305 1 1 14 ARG CB C -10.806 -2.867 -3.604 1.00 . A A . 72 ARG CB 1 1 4 1306 1 1 14 ARG CD C -11.698 -0.643 -2.790 1.00 . A A . 72 ARG CD 1 1 4 1307 1 1 14 ARG CG C -11.944 -1.838 -3.728 1.00 . A A . 72 ARG CG 1 1 4 1308 1 1 14 ARG CZ C -12.109 -0.035 -0.475 1.00 . A A . 72 ARG CZ 1 1 4 1309 1 1 14 ARG H H -9.084 -4.551 -2.857 1.00 . A A . 72 ARG H 1 1 4 1310 1 1 14 ARG HA H -10.723 -2.763 -1.471 1.00 . A A . 72 ARG HA 1 1 4 1311 1 1 14 ARG HB2 H -9.858 -2.375 -3.757 1.00 . A A . 72 ARG HB2 1 1 4 1312 1 1 14 ARG HB3 H -10.937 -3.630 -4.358 1.00 . A A . 72 ARG HB3 1 1 4 1313 1 1 14 ARG HD2 H -10.638 -0.447 -2.717 1.00 . A A . 72 ARG HD2 1 1 4 1314 1 1 14 ARG HD3 H -12.190 0.233 -3.193 1.00 . A A . 72 ARG HD3 1 1 4 1315 1 1 14 ARG HE H -12.671 -1.777 -1.287 1.00 . A A . 72 ARG HE 1 1 4 1316 1 1 14 ARG HG2 H -11.990 -1.486 -4.748 1.00 . A A . 72 ARG HG2 1 1 4 1317 1 1 14 ARG HG3 H -12.884 -2.303 -3.472 1.00 . A A . 72 ARG HG3 1 1 4 1318 1 1 14 ARG HH11 H -11.159 1.319 -1.602 1.00 . A A . 72 ARG HH11 1 1 4 1319 1 1 14 ARG HH12 H -11.433 1.775 0.046 1.00 . A A . 72 ARG HH12 1 1 4 1320 1 1 14 ARG HH21 H -13.034 -1.185 0.878 1.00 . A A . 72 ARG HH21 1 1 4 1321 1 1 14 ARG HH22 H -12.495 0.357 1.450 1.00 . A A . 72 ARG HH22 1 1 4 1322 1 1 14 ARG N N -9.692 -4.433 -2.098 1.00 . A A . 72 ARG N 1 1 4 1323 1 1 14 ARG NE N -12.226 -0.921 -1.459 1.00 . A A . 72 ARG NE 1 1 4 1324 1 1 14 ARG NH1 N -11.521 1.109 -0.693 1.00 . A A . 72 ARG NH1 1 1 4 1325 1 1 14 ARG NH2 N -12.583 -0.309 0.709 1.00 . A A . 72 ARG NH2 1 1 4 1326 1 1 14 ARG O O -12.985 -3.853 -1.237 1.00 . A A . 72 ARG O 1 1 4 1327 1 1 15 LEU C C -13.578 -6.802 -1.172 1.00 . A A . 73 LEU C 1 1 4 1328 1 1 15 LEU CA C -13.475 -6.216 -2.574 1.00 . A A . 73 LEU CA 1 1 4 1329 1 1 15 LEU CB C -13.450 -7.341 -3.611 1.00 . A A . 73 LEU CB 1 1 4 1330 1 1 15 LEU CD1 C -15.976 -7.362 -3.705 1.00 . A A . 73 LEU CD1 1 1 4 1331 1 1 15 LEU CD2 C -14.645 -9.303 -4.555 1.00 . A A . 73 LEU CD2 1 1 4 1332 1 1 15 LEU CG C -14.711 -8.210 -3.489 1.00 . A A . 73 LEU CG 1 1 4 1333 1 1 15 LEU H H -11.549 -5.702 -3.288 1.00 . A A . 73 LEU H 1 1 4 1334 1 1 15 LEU HA H -14.334 -5.594 -2.760 1.00 . A A . 73 LEU HA 1 1 4 1335 1 1 15 LEU HB2 H -13.413 -6.907 -4.606 1.00 . A A . 73 LEU HB2 1 1 4 1336 1 1 15 LEU HB3 H -12.574 -7.958 -3.449 1.00 . A A . 73 LEU HB3 1 1 4 1337 1 1 15 LEU HD11 H -16.253 -6.887 -2.776 1.00 . A A . 73 LEU HD11 1 1 4 1338 1 1 15 LEU HD12 H -16.789 -7.993 -4.035 1.00 . A A . 73 LEU HD12 1 1 4 1339 1 1 15 LEU HD13 H -15.785 -6.605 -4.452 1.00 . A A . 73 LEU HD13 1 1 4 1340 1 1 15 LEU HD21 H -13.873 -10.011 -4.295 1.00 . A A . 73 LEU HD21 1 1 4 1341 1 1 15 LEU HD22 H -14.419 -8.853 -5.509 1.00 . A A . 73 LEU HD22 1 1 4 1342 1 1 15 LEU HD23 H -15.598 -9.809 -4.610 1.00 . A A . 73 LEU HD23 1 1 4 1343 1 1 15 LEU HG H -14.746 -8.668 -2.511 1.00 . A A . 73 LEU HG 1 1 4 1344 1 1 15 LEU N N -12.270 -5.404 -2.697 1.00 . A A . 73 LEU N 1 1 4 1345 1 1 15 LEU O O -14.642 -6.789 -0.553 1.00 . A A . 73 LEU O 1 1 4 1346 1 1 16 VAL C C -12.697 -6.904 1.733 1.00 . A A . 74 VAL C 1 1 4 1347 1 1 16 VAL CA C -12.409 -7.927 0.637 1.00 . A A . 74 VAL CA 1 1 4 1348 1 1 16 VAL CB C -11.026 -8.555 0.845 1.00 . A A . 74 VAL CB 1 1 4 1349 1 1 16 VAL CG1 C -10.853 -8.964 2.314 1.00 . A A . 74 VAL CG1 1 1 4 1350 1 1 16 VAL CG2 C -10.901 -9.803 -0.041 1.00 . A A . 74 VAL CG2 1 1 4 1351 1 1 16 VAL H H -11.646 -7.307 -1.235 1.00 . A A . 74 VAL H 1 1 4 1352 1 1 16 VAL HA H -13.152 -8.709 0.689 1.00 . A A . 74 VAL HA 1 1 4 1353 1 1 16 VAL HB H -10.262 -7.837 0.567 1.00 . A A . 74 VAL HB 1 1 4 1354 1 1 16 VAL HG11 H -11.745 -9.471 2.653 1.00 . A A . 74 VAL HG11 1 1 4 1355 1 1 16 VAL HG12 H -10.691 -8.082 2.918 1.00 . A A . 74 VAL HG12 1 1 4 1356 1 1 16 VAL HG13 H -10.005 -9.626 2.408 1.00 . A A . 74 VAL HG13 1 1 4 1357 1 1 16 VAL HG21 H -11.302 -9.593 -1.022 1.00 . A A . 74 VAL HG21 1 1 4 1358 1 1 16 VAL HG22 H -11.455 -10.618 0.403 1.00 . A A . 74 VAL HG22 1 1 4 1359 1 1 16 VAL HG23 H -9.862 -10.080 -0.130 1.00 . A A . 74 VAL HG23 1 1 4 1360 1 1 16 VAL N N -12.458 -7.322 -0.687 1.00 . A A . 74 VAL N 1 1 4 1361 1 1 16 VAL O O -13.513 -7.153 2.621 1.00 . A A . 74 VAL O 1 1 4 1362 1 1 17 LEU C C -13.699 -4.250 2.616 1.00 . A A . 75 LEU C 1 1 4 1363 1 1 17 LEU CA C -12.256 -4.725 2.679 1.00 . A A . 75 LEU CA 1 1 4 1364 1 1 17 LEU CB C -11.308 -3.542 2.454 1.00 . A A . 75 LEU CB 1 1 4 1365 1 1 17 LEU CD1 C -8.912 -2.844 2.319 1.00 . A A . 75 LEU CD1 1 1 4 1366 1 1 17 LEU CD2 C -9.702 -4.144 4.320 1.00 . A A . 75 LEU CD2 1 1 4 1367 1 1 17 LEU CG C -9.864 -3.946 2.797 1.00 . A A . 75 LEU CG 1 1 4 1368 1 1 17 LEU H H -11.397 -5.598 0.948 1.00 . A A . 75 LEU H 1 1 4 1369 1 1 17 LEU HA H -12.071 -5.143 3.656 1.00 . A A . 75 LEU HA 1 1 4 1370 1 1 17 LEU HB2 H -11.356 -3.245 1.410 1.00 . A A . 75 LEU HB2 1 1 4 1371 1 1 17 LEU HB3 H -11.612 -2.712 3.082 1.00 . A A . 75 LEU HB3 1 1 4 1372 1 1 17 LEU HD11 H -9.259 -1.888 2.682 1.00 . A A . 75 LEU HD11 1 1 4 1373 1 1 17 LEU HD12 H -8.889 -2.833 1.238 1.00 . A A . 75 LEU HD12 1 1 4 1374 1 1 17 LEU HD13 H -7.921 -3.035 2.699 1.00 . A A . 75 LEU HD13 1 1 4 1375 1 1 17 LEU HD21 H -10.342 -3.456 4.854 1.00 . A A . 75 LEU HD21 1 1 4 1376 1 1 17 LEU HD22 H -8.673 -3.966 4.604 1.00 . A A . 75 LEU HD22 1 1 4 1377 1 1 17 LEU HD23 H -9.967 -5.157 4.581 1.00 . A A . 75 LEU HD23 1 1 4 1378 1 1 17 LEU HG H -9.622 -4.868 2.288 1.00 . A A . 75 LEU HG 1 1 4 1379 1 1 17 LEU N N -12.035 -5.754 1.672 1.00 . A A . 75 LEU N 1 1 4 1380 1 1 17 LEU O O -14.353 -4.073 3.643 1.00 . A A . 75 LEU O 1 1 4 1381 1 1 18 ARG C C -16.530 -4.699 1.731 1.00 . A A . 76 ARG C 1 1 4 1382 1 1 18 ARG CA C -15.570 -3.636 1.210 1.00 . A A . 76 ARG CA 1 1 4 1383 1 1 18 ARG CB C -15.839 -3.377 -0.278 1.00 . A A . 76 ARG CB 1 1 4 1384 1 1 18 ARG CD C -15.898 -0.855 -0.427 1.00 . A A . 76 ARG CD 1 1 4 1385 1 1 18 ARG CG C -15.090 -2.117 -0.753 1.00 . A A . 76 ARG CG 1 1 4 1386 1 1 18 ARG CZ C -15.708 1.544 -0.770 1.00 . A A . 76 ARG CZ 1 1 4 1387 1 1 18 ARG H H -13.628 -4.239 0.617 1.00 . A A . 76 ARG H 1 1 4 1388 1 1 18 ARG HA H -15.724 -2.731 1.762 1.00 . A A . 76 ARG HA 1 1 4 1389 1 1 18 ARG HB2 H -15.501 -4.229 -0.852 1.00 . A A . 76 ARG HB2 1 1 4 1390 1 1 18 ARG HB3 H -16.901 -3.242 -0.432 1.00 . A A . 76 ARG HB3 1 1 4 1391 1 1 18 ARG HD2 H -16.866 -0.917 -0.900 1.00 . A A . 76 ARG HD2 1 1 4 1392 1 1 18 ARG HD3 H -16.026 -0.769 0.640 1.00 . A A . 76 ARG HD3 1 1 4 1393 1 1 18 ARG HE H -14.338 0.220 -1.379 1.00 . A A . 76 ARG HE 1 1 4 1394 1 1 18 ARG HG2 H -14.130 -2.062 -0.258 1.00 . A A . 76 ARG HG2 1 1 4 1395 1 1 18 ARG HG3 H -14.936 -2.175 -1.821 1.00 . A A . 76 ARG HG3 1 1 4 1396 1 1 18 ARG HH11 H -17.348 0.903 0.185 1.00 . A A . 76 ARG HH11 1 1 4 1397 1 1 18 ARG HH12 H -17.240 2.615 -0.048 1.00 . A A . 76 ARG HH12 1 1 4 1398 1 1 18 ARG HH21 H -14.187 2.465 -1.685 1.00 . A A . 76 ARG HH21 1 1 4 1399 1 1 18 ARG HH22 H -15.448 3.500 -1.106 1.00 . A A . 76 ARG HH22 1 1 4 1400 1 1 18 ARG N N -14.194 -4.067 1.400 1.00 . A A . 76 ARG N 1 1 4 1401 1 1 18 ARG NE N -15.198 0.327 -0.923 1.00 . A A . 76 ARG NE 1 1 4 1402 1 1 18 ARG NH1 N -16.855 1.699 -0.164 1.00 . A A . 76 ARG NH1 1 1 4 1403 1 1 18 ARG NH2 N -15.064 2.584 -1.222 1.00 . A A . 76 ARG NH2 1 1 4 1404 1 1 18 ARG O O -17.550 -4.384 2.346 1.00 . A A . 76 ARG O 1 1 4 1405 1 1 19 CYS C C -17.138 -7.086 3.442 1.00 . A A . 77 CYS C 1 1 4 1406 1 1 19 CYS CA C -17.025 -7.070 1.921 1.00 . A A . 77 CYS CA 1 1 4 1407 1 1 19 CYS CB C -16.419 -8.388 1.436 1.00 . A A . 77 CYS CB 1 1 4 1408 1 1 19 CYS H H -15.370 -6.145 0.983 1.00 . A A . 77 CYS H 1 1 4 1409 1 1 19 CYS HA H -18.010 -6.962 1.495 1.00 . A A . 77 CYS HA 1 1 4 1410 1 1 19 CYS HB2 H -16.354 -8.379 0.352 1.00 . A A . 77 CYS HB2 1 1 4 1411 1 1 19 CYS HB3 H -15.427 -8.507 1.863 1.00 . A A . 77 CYS HB3 1 1 4 1412 1 1 19 CYS HG H -18.217 -9.389 2.445 1.00 . A A . 77 CYS HG 1 1 4 1413 1 1 19 CYS N N -16.194 -5.958 1.478 1.00 . A A . 77 CYS N 1 1 4 1414 1 1 19 CYS O O -18.234 -7.206 3.990 1.00 . A A . 77 CYS O 1 1 4 1415 1 1 19 CYS SG S -17.472 -9.759 1.965 1.00 . A A . 77 CYS SG 1 1 4 1416 1 1 20 SER C C -16.765 -5.778 6.125 1.00 . A A . 78 SER C 1 1 4 1417 1 1 20 SER CA C -15.981 -6.965 5.574 1.00 . A A . 78 SER CA 1 1 4 1418 1 1 20 SER CB C -14.539 -6.904 6.078 1.00 . A A . 78 SER CB 1 1 4 1419 1 1 20 SER H H -15.156 -6.871 3.624 1.00 . A A . 78 SER H 1 1 4 1420 1 1 20 SER HA H -16.435 -7.878 5.928 1.00 . A A . 78 SER HA 1 1 4 1421 1 1 20 SER HB2 H -14.034 -6.059 5.628 1.00 . A A . 78 SER HB2 1 1 4 1422 1 1 20 SER HB3 H -14.541 -6.797 7.162 1.00 . A A . 78 SER HB3 1 1 4 1423 1 1 20 SER HG H -13.356 -8.399 6.467 1.00 . A A . 78 SER HG 1 1 4 1424 1 1 20 SER N N -15.999 -6.964 4.117 1.00 . A A . 78 SER N 1 1 4 1425 1 1 20 SER O O -17.490 -5.905 7.112 1.00 . A A . 78 SER O 1 1 4 1426 1 1 20 SER OG O -13.866 -8.101 5.710 1.00 . A A . 78 SER OG 1 1 4 1427 1 1 21 MET C C -17.530 -2.474 4.735 1.00 . A A . 79 MET C 1 1 4 1428 1 1 21 MET CA C -17.306 -3.413 5.916 1.00 . A A . 79 MET CA 1 1 4 1429 1 1 21 MET CB C -16.482 -2.699 6.992 1.00 . A A . 79 MET CB 1 1 4 1430 1 1 21 MET CE C -17.491 0.643 9.180 1.00 . A A . 79 MET CE 1 1 4 1431 1 1 21 MET CG C -17.255 -1.481 7.503 1.00 . A A . 79 MET CG 1 1 4 1432 1 1 21 MET H H -16.017 -4.582 4.704 1.00 . A A . 79 MET H 1 1 4 1433 1 1 21 MET HA H -18.266 -3.684 6.333 1.00 . A A . 79 MET HA 1 1 4 1434 1 1 21 MET HB2 H -16.299 -3.382 7.815 1.00 . A A . 79 MET HB2 1 1 4 1435 1 1 21 MET HB3 H -15.541 -2.373 6.566 1.00 . A A . 79 MET HB3 1 1 4 1436 1 1 21 MET HE1 H -17.734 1.144 8.252 1.00 . A A . 79 MET HE1 1 1 4 1437 1 1 21 MET HE2 H -17.044 1.350 9.860 1.00 . A A . 79 MET HE2 1 1 4 1438 1 1 21 MET HE3 H -18.390 0.240 9.624 1.00 . A A . 79 MET HE3 1 1 4 1439 1 1 21 MET HG2 H -17.384 -0.770 6.700 1.00 . A A . 79 MET HG2 1 1 4 1440 1 1 21 MET HG3 H -18.223 -1.792 7.866 1.00 . A A . 79 MET HG3 1 1 4 1441 1 1 21 MET N N -16.611 -4.623 5.481 1.00 . A A . 79 MET N 1 1 4 1442 1 1 21 MET O O -16.652 -2.304 3.890 1.00 . A A . 79 MET O 1 1 4 1443 1 1 21 MET SD S -16.328 -0.703 8.851 1.00 . A A . 79 MET SD 1 1 4 1444 1 1 22 ASP C C -20.037 0.113 4.087 1.00 . A A . 80 ASP C 1 1 4 1445 1 1 22 ASP CA C -19.048 -0.942 3.601 1.00 . A A . 80 ASP CA 1 1 4 1446 1 1 22 ASP CB C -19.658 -1.712 2.428 1.00 . A A . 80 ASP CB 1 1 4 1447 1 1 22 ASP CG C -19.988 -0.752 1.290 1.00 . A A . 80 ASP CG 1 1 4 1448 1 1 22 ASP H H -19.373 -2.041 5.386 1.00 . A A . 80 ASP H 1 1 4 1449 1 1 22 ASP HA H -18.149 -0.448 3.263 1.00 . A A . 80 ASP HA 1 1 4 1450 1 1 22 ASP HB2 H -18.952 -2.451 2.080 1.00 . A A . 80 ASP HB2 1 1 4 1451 1 1 22 ASP HB3 H -20.562 -2.205 2.755 1.00 . A A . 80 ASP HB3 1 1 4 1452 1 1 22 ASP N N -18.713 -1.866 4.683 1.00 . A A . 80 ASP N 1 1 4 1453 1 1 22 ASP O O -19.589 1.128 4.595 1.00 . A A . 80 ASP O 1 1 4 1454 1 1 22 ASP OXT O -21.227 -0.110 3.945 1.00 . A A . 80 ASP OXT 1 1 4 1455 1 1 22 ASP OD1 O -19.836 0.443 1.487 1.00 . A A . 80 ASP OD1 1 1 4 1456 1 1 22 ASP OD2 O -20.391 -1.225 0.239 1.00 . A A . 80 ASP OD2 1 1 5 1457 1 1 1 ASP C C -0.897 -7.981 4.142 1.00 . A A . 59 ASP C 1 1 5 1458 1 1 1 ASP CA C -1.332 -6.639 4.723 1.00 . A A . 59 ASP CA 1 1 5 1459 1 1 1 ASP CB C -1.795 -6.822 6.170 1.00 . A A . 59 ASP CB 1 1 5 1460 1 1 1 ASP CG C -2.913 -7.858 6.234 1.00 . A A . 59 ASP CG 1 1 5 1461 1 1 1 ASP H1 H -3.031 -6.868 3.542 1.00 . A A . 59 ASP H1 1 1 5 1462 1 1 1 ASP H2 H -2.067 -5.534 3.118 1.00 . A A . 59 ASP H2 1 1 5 1463 1 1 1 ASP H3 H -3.045 -5.475 4.508 1.00 . A A . 59 ASP H3 1 1 5 1464 1 1 1 ASP HA H -0.499 -5.951 4.697 1.00 . A A . 59 ASP HA 1 1 5 1465 1 1 1 ASP HB2 H -0.959 -7.160 6.774 1.00 . A A . 59 ASP HB2 1 1 5 1466 1 1 1 ASP HB3 H -2.163 -5.874 6.551 1.00 . A A . 59 ASP HB3 1 1 5 1467 1 1 1 ASP N N -2.453 -6.086 3.910 1.00 . A A . 59 ASP N 1 1 5 1468 1 1 1 ASP O O 0.141 -8.523 4.518 1.00 . A A . 59 ASP O 1 1 5 1469 1 1 1 ASP OD1 O -3.261 -8.390 5.192 1.00 . A A . 59 ASP OD1 1 1 5 1470 1 1 1 ASP OD2 O -3.405 -8.103 7.323 1.00 . A A . 59 ASP OD2 1 1 5 1471 1 1 2 THR C C -0.426 -9.591 1.424 1.00 . A A . 60 THR C 1 1 5 1472 1 1 2 THR CA C -1.391 -9.788 2.590 1.00 . A A . 60 THR CA 1 1 5 1473 1 1 2 THR CB C -2.680 -10.451 2.092 1.00 . A A . 60 THR CB 1 1 5 1474 1 1 2 THR CG2 C -3.265 -9.643 0.934 1.00 . A A . 60 THR CG2 1 1 5 1475 1 1 2 THR H H -2.512 -8.030 2.961 1.00 . A A . 60 THR H 1 1 5 1476 1 1 2 THR HA H -0.927 -10.437 3.318 1.00 . A A . 60 THR HA 1 1 5 1477 1 1 2 THR HB H -3.396 -10.490 2.898 1.00 . A A . 60 THR HB 1 1 5 1478 1 1 2 THR HG1 H -3.120 -12.069 1.107 1.00 . A A . 60 THR HG1 1 1 5 1479 1 1 2 THR HG21 H -2.697 -9.839 0.038 1.00 . A A . 60 THR HG21 1 1 5 1480 1 1 2 THR HG22 H -3.220 -8.590 1.168 1.00 . A A . 60 THR HG22 1 1 5 1481 1 1 2 THR HG23 H -4.293 -9.933 0.778 1.00 . A A . 60 THR HG23 1 1 5 1482 1 1 2 THR N N -1.698 -8.509 3.221 1.00 . A A . 60 THR N 1 1 5 1483 1 1 2 THR O O -0.113 -8.462 1.048 1.00 . A A . 60 THR O 1 1 5 1484 1 1 2 THR OG1 O -2.390 -11.770 1.652 1.00 . A A . 60 THR OG1 1 1 5 1485 1 1 3 LEU C C 0.324 -9.994 -1.476 1.00 . A A . 61 LEU C 1 1 5 1486 1 1 3 LEU CA C 0.978 -10.644 -0.259 1.00 . A A . 61 LEU CA 1 1 5 1487 1 1 3 LEU CB C 1.457 -12.059 -0.620 1.00 . A A . 61 LEU CB 1 1 5 1488 1 1 3 LEU CD1 C 1.855 -12.738 1.769 1.00 . A A . 61 LEU CD1 1 1 5 1489 1 1 3 LEU CD2 C 3.089 -13.872 -0.084 1.00 . A A . 61 LEU CD2 1 1 5 1490 1 1 3 LEU CG C 2.502 -12.541 0.396 1.00 . A A . 61 LEU CG 1 1 5 1491 1 1 3 LEU H H -0.244 -11.569 1.207 1.00 . A A . 61 LEU H 1 1 5 1492 1 1 3 LEU HA H 1.832 -10.051 0.032 1.00 . A A . 61 LEU HA 1 1 5 1493 1 1 3 LEU HB2 H 0.614 -12.733 -0.615 1.00 . A A . 61 LEU HB2 1 1 5 1494 1 1 3 LEU HB3 H 1.899 -12.046 -1.606 1.00 . A A . 61 LEU HB3 1 1 5 1495 1 1 3 LEU HD11 H 2.506 -13.332 2.393 1.00 . A A . 61 LEU HD11 1 1 5 1496 1 1 3 LEU HD12 H 0.909 -13.248 1.653 1.00 . A A . 61 LEU HD12 1 1 5 1497 1 1 3 LEU HD13 H 1.692 -11.778 2.232 1.00 . A A . 61 LEU HD13 1 1 5 1498 1 1 3 LEU HD21 H 3.819 -14.221 0.632 1.00 . A A . 61 LEU HD21 1 1 5 1499 1 1 3 LEU HD22 H 3.565 -13.731 -1.043 1.00 . A A . 61 LEU HD22 1 1 5 1500 1 1 3 LEU HD23 H 2.298 -14.602 -0.177 1.00 . A A . 61 LEU HD23 1 1 5 1501 1 1 3 LEU HG H 3.292 -11.809 0.475 1.00 . A A . 61 LEU HG 1 1 5 1502 1 1 3 LEU N N 0.042 -10.699 0.862 1.00 . A A . 61 LEU N 1 1 5 1503 1 1 3 LEU O O 0.961 -9.221 -2.193 1.00 . A A . 61 LEU O 1 1 5 1504 1 1 4 LEU C C -1.833 -8.246 -2.669 1.00 . A A . 62 LEU C 1 1 5 1505 1 1 4 LEU CA C -1.667 -9.747 -2.843 1.00 . A A . 62 LEU CA 1 1 5 1506 1 1 4 LEU CB C -3.044 -10.390 -2.975 1.00 . A A . 62 LEU CB 1 1 5 1507 1 1 4 LEU CD1 C -4.292 -12.529 -3.261 1.00 . A A . 62 LEU CD1 1 1 5 1508 1 1 4 LEU CD2 C -2.122 -12.193 -4.476 1.00 . A A . 62 LEU CD2 1 1 5 1509 1 1 4 LEU CG C -2.899 -11.902 -3.181 1.00 . A A . 62 LEU CG 1 1 5 1510 1 1 4 LEU H H -1.405 -10.931 -1.103 1.00 . A A . 62 LEU H 1 1 5 1511 1 1 4 LEU HA H -1.102 -9.926 -3.742 1.00 . A A . 62 LEU HA 1 1 5 1512 1 1 4 LEU HB2 H -3.615 -10.199 -2.080 1.00 . A A . 62 LEU HB2 1 1 5 1513 1 1 4 LEU HB3 H -3.553 -9.961 -3.825 1.00 . A A . 62 LEU HB3 1 1 5 1514 1 1 4 LEU HD11 H -4.870 -12.020 -4.019 1.00 . A A . 62 LEU HD11 1 1 5 1515 1 1 4 LEU HD12 H -4.786 -12.433 -2.306 1.00 . A A . 62 LEU HD12 1 1 5 1516 1 1 4 LEU HD13 H -4.203 -13.574 -3.517 1.00 . A A . 62 LEU HD13 1 1 5 1517 1 1 4 LEU HD21 H -1.062 -12.172 -4.270 1.00 . A A . 62 LEU HD21 1 1 5 1518 1 1 4 LEU HD22 H -2.358 -11.444 -5.221 1.00 . A A . 62 LEU HD22 1 1 5 1519 1 1 4 LEU HD23 H -2.390 -13.169 -4.855 1.00 . A A . 62 LEU HD23 1 1 5 1520 1 1 4 LEU HG H -2.368 -12.324 -2.340 1.00 . A A . 62 LEU HG 1 1 5 1521 1 1 4 LEU N N -0.946 -10.309 -1.707 1.00 . A A . 62 LEU N 1 1 5 1522 1 1 4 LEU O O -2.083 -7.522 -3.631 1.00 . A A . 62 LEU O 1 1 5 1523 1 1 5 GLY C C -0.787 -5.603 -1.979 1.00 . A A . 63 GLY C 1 1 5 1524 1 1 5 GLY CA C -1.806 -6.366 -1.154 1.00 . A A . 63 GLY CA 1 1 5 1525 1 1 5 GLY H H -1.475 -8.408 -0.712 1.00 . A A . 63 GLY H 1 1 5 1526 1 1 5 GLY HA2 H -2.808 -6.034 -1.416 1.00 . A A . 63 GLY HA2 1 1 5 1527 1 1 5 GLY HA3 H -1.620 -6.188 -0.101 1.00 . A A . 63 GLY HA3 1 1 5 1528 1 1 5 GLY N N -1.680 -7.785 -1.437 1.00 . A A . 63 GLY N 1 1 5 1529 1 1 5 GLY O O -0.910 -4.398 -2.191 1.00 . A A . 63 GLY O 1 1 5 1530 1 1 6 ARG C C 1.188 -6.333 -4.696 1.00 . A A . 64 ARG C 1 1 5 1531 1 1 6 ARG CA C 1.271 -5.751 -3.288 1.00 . A A . 64 ARG CA 1 1 5 1532 1 1 6 ARG CB C 2.647 -6.045 -2.675 1.00 . A A . 64 ARG CB 1 1 5 1533 1 1 6 ARG CD C 5.024 -5.289 -2.513 1.00 . A A . 64 ARG CD 1 1 5 1534 1 1 6 ARG CG C 3.693 -5.075 -3.235 1.00 . A A . 64 ARG CG 1 1 5 1535 1 1 6 ARG CZ C 5.881 -5.198 -0.241 1.00 . A A . 64 ARG CZ 1 1 5 1536 1 1 6 ARG H H 0.249 -7.292 -2.269 1.00 . A A . 64 ARG H 1 1 5 1537 1 1 6 ARG HA H 1.129 -4.683 -3.348 1.00 . A A . 64 ARG HA 1 1 5 1538 1 1 6 ARG HB2 H 2.590 -5.930 -1.602 1.00 . A A . 64 ARG HB2 1 1 5 1539 1 1 6 ARG HB3 H 2.936 -7.058 -2.910 1.00 . A A . 64 ARG HB3 1 1 5 1540 1 1 6 ARG HD2 H 5.332 -6.316 -2.628 1.00 . A A . 64 ARG HD2 1 1 5 1541 1 1 6 ARG HD3 H 5.772 -4.640 -2.946 1.00 . A A . 64 ARG HD3 1 1 5 1542 1 1 6 ARG HE H 4.035 -4.618 -0.761 1.00 . A A . 64 ARG HE 1 1 5 1543 1 1 6 ARG HG2 H 3.825 -5.255 -4.292 1.00 . A A . 64 ARG HG2 1 1 5 1544 1 1 6 ARG HG3 H 3.363 -4.059 -3.081 1.00 . A A . 64 ARG HG3 1 1 5 1545 1 1 6 ARG HH11 H 7.128 -5.899 -1.642 1.00 . A A . 64 ARG HH11 1 1 5 1546 1 1 6 ARG HH12 H 7.762 -5.846 -0.031 1.00 . A A . 64 ARG HH12 1 1 5 1547 1 1 6 ARG HH21 H 4.861 -4.546 1.354 1.00 . A A . 64 ARG HH21 1 1 5 1548 1 1 6 ARG HH22 H 6.480 -5.081 1.664 1.00 . A A . 64 ARG HH22 1 1 5 1549 1 1 6 ARG N N 0.221 -6.334 -2.461 1.00 . A A . 64 ARG N 1 1 5 1550 1 1 6 ARG NE N 4.882 -4.984 -1.093 1.00 . A A . 64 ARG NE 1 1 5 1551 1 1 6 ARG NH1 N 7.011 -5.685 -0.671 1.00 . A A . 64 ARG NH1 1 1 5 1552 1 1 6 ARG NH2 N 5.728 -4.920 1.025 1.00 . A A . 64 ARG NH2 1 1 5 1553 1 1 6 ARG O O 2.203 -6.553 -5.355 1.00 . A A . 64 ARG O 1 1 5 1554 1 1 7 MET C C -1.648 -6.755 -6.980 1.00 . A A . 65 MET C 1 1 5 1555 1 1 7 MET CA C -0.262 -7.143 -6.475 1.00 . A A . 65 MET CA 1 1 5 1556 1 1 7 MET CB C -0.134 -8.671 -6.429 1.00 . A A . 65 MET CB 1 1 5 1557 1 1 7 MET CE C 1.575 -9.352 -10.114 1.00 . A A . 65 MET CE 1 1 5 1558 1 1 7 MET CG C 0.094 -9.220 -7.842 1.00 . A A . 65 MET CG 1 1 5 1559 1 1 7 MET H H -0.812 -6.393 -4.573 1.00 . A A . 65 MET H 1 1 5 1560 1 1 7 MET HA H 0.481 -6.747 -7.148 1.00 . A A . 65 MET HA 1 1 5 1561 1 1 7 MET HB2 H 0.702 -8.942 -5.801 1.00 . A A . 65 MET HB2 1 1 5 1562 1 1 7 MET HB3 H -1.041 -9.096 -6.022 1.00 . A A . 65 MET HB3 1 1 5 1563 1 1 7 MET HE1 H 1.498 -10.428 -10.102 1.00 . A A . 65 MET HE1 1 1 5 1564 1 1 7 MET HE2 H 2.441 -9.062 -10.689 1.00 . A A . 65 MET HE2 1 1 5 1565 1 1 7 MET HE3 H 0.688 -8.925 -10.561 1.00 . A A . 65 MET HE3 1 1 5 1566 1 1 7 MET HG2 H 0.019 -10.303 -7.824 1.00 . A A . 65 MET HG2 1 1 5 1567 1 1 7 MET HG3 H -0.656 -8.811 -8.511 1.00 . A A . 65 MET HG3 1 1 5 1568 1 1 7 MET N N -0.039 -6.584 -5.147 1.00 . A A . 65 MET N 1 1 5 1569 1 1 7 MET O O -1.800 -6.268 -8.100 1.00 . A A . 65 MET O 1 1 5 1570 1 1 7 MET SD S 1.742 -8.742 -8.418 1.00 . A A . 65 MET SD 1 1 5 1571 1 1 8 LEU C C -4.659 -5.815 -5.334 1.00 . A A . 66 LEU C 1 1 5 1572 1 1 8 LEU CA C -4.037 -6.621 -6.470 1.00 . A A . 66 LEU CA 1 1 5 1573 1 1 8 LEU CB C -4.838 -7.907 -6.684 1.00 . A A . 66 LEU CB 1 1 5 1574 1 1 8 LEU CD1 C -4.910 -10.096 -7.892 1.00 . A A . 66 LEU CD1 1 1 5 1575 1 1 8 LEU CD2 C -4.368 -8.003 -9.161 1.00 . A A . 66 LEU CD2 1 1 5 1576 1 1 8 LEU CG C -4.210 -8.735 -7.817 1.00 . A A . 66 LEU CG 1 1 5 1577 1 1 8 LEU H H -2.460 -7.340 -5.250 1.00 . A A . 66 LEU H 1 1 5 1578 1 1 8 LEU HA H -4.069 -6.029 -7.372 1.00 . A A . 66 LEU HA 1 1 5 1579 1 1 8 LEU HB2 H -4.831 -8.486 -5.772 1.00 . A A . 66 LEU HB2 1 1 5 1580 1 1 8 LEU HB3 H -5.854 -7.661 -6.942 1.00 . A A . 66 LEU HB3 1 1 5 1581 1 1 8 LEU HD11 H -4.618 -10.599 -8.802 1.00 . A A . 66 LEU HD11 1 1 5 1582 1 1 8 LEU HD12 H -5.978 -9.952 -7.886 1.00 . A A . 66 LEU HD12 1 1 5 1583 1 1 8 LEU HD13 H -4.622 -10.696 -7.041 1.00 . A A . 66 LEU HD13 1 1 5 1584 1 1 8 LEU HD21 H -3.584 -7.267 -9.264 1.00 . A A . 66 LEU HD21 1 1 5 1585 1 1 8 LEU HD22 H -5.328 -7.513 -9.203 1.00 . A A . 66 LEU HD22 1 1 5 1586 1 1 8 LEU HD23 H -4.293 -8.714 -9.974 1.00 . A A . 66 LEU HD23 1 1 5 1587 1 1 8 LEU HG H -3.160 -8.885 -7.607 1.00 . A A . 66 LEU HG 1 1 5 1588 1 1 8 LEU N N -2.654 -6.959 -6.132 1.00 . A A . 66 LEU N 1 1 5 1589 1 1 8 LEU O O -5.655 -6.229 -4.742 1.00 . A A . 66 LEU O 1 1 5 1590 1 1 9 PRO C C -5.895 -3.100 -4.302 1.00 . A A . 67 PRO C 1 1 5 1591 1 1 9 PRO CA C -4.588 -3.797 -3.933 1.00 . A A . 67 PRO CA 1 1 5 1592 1 1 9 PRO CB C -3.447 -2.789 -3.735 1.00 . A A . 67 PRO CB 1 1 5 1593 1 1 9 PRO CD C -2.892 -4.108 -5.678 1.00 . A A . 67 PRO CD 1 1 5 1594 1 1 9 PRO CG C -2.789 -2.704 -5.075 1.00 . A A . 67 PRO CG 1 1 5 1595 1 1 9 PRO HA H -4.721 -4.374 -3.034 1.00 . A A . 67 PRO HA 1 1 5 1596 1 1 9 PRO HB2 H -3.841 -1.818 -3.436 1.00 . A A . 67 PRO HB2 1 1 5 1597 1 1 9 PRO HB3 H -2.742 -3.159 -2.997 1.00 . A A . 67 PRO HB3 1 1 5 1598 1 1 9 PRO HD2 H -3.031 -4.050 -6.749 1.00 . A A . 67 PRO HD2 1 1 5 1599 1 1 9 PRO HD3 H -2.019 -4.693 -5.437 1.00 . A A . 67 PRO HD3 1 1 5 1600 1 1 9 PRO HG2 H -3.313 -1.985 -5.700 1.00 . A A . 67 PRO HG2 1 1 5 1601 1 1 9 PRO HG3 H -1.745 -2.426 -4.967 1.00 . A A . 67 PRO HG3 1 1 5 1602 1 1 9 PRO N N -4.086 -4.679 -5.025 1.00 . A A . 67 PRO N 1 1 5 1603 1 1 9 PRO O O -6.646 -2.664 -3.430 1.00 . A A . 67 PRO O 1 1 5 1604 1 1 10 GLN C C -8.349 -3.364 -6.640 1.00 . A A . 68 GLN C 1 1 5 1605 1 1 10 GLN CA C -7.377 -2.333 -6.084 1.00 . A A . 68 GLN CA 1 1 5 1606 1 1 10 GLN CB C -7.041 -1.320 -7.172 1.00 . A A . 68 GLN CB 1 1 5 1607 1 1 10 GLN CD C -5.763 0.778 -7.656 1.00 . A A . 68 GLN CD 1 1 5 1608 1 1 10 GLN CG C -6.286 -0.140 -6.554 1.00 . A A . 68 GLN CG 1 1 5 1609 1 1 10 GLN H H -5.520 -3.349 -6.253 1.00 . A A . 68 GLN H 1 1 5 1610 1 1 10 GLN HA H -7.856 -1.814 -5.265 1.00 . A A . 68 GLN HA 1 1 5 1611 1 1 10 GLN HB2 H -6.422 -1.792 -7.927 1.00 . A A . 68 GLN HB2 1 1 5 1612 1 1 10 GLN HB3 H -7.963 -0.960 -7.617 1.00 . A A . 68 GLN HB3 1 1 5 1613 1 1 10 GLN HE21 H -5.846 2.413 -6.524 1.00 . A A . 68 GLN HE21 1 1 5 1614 1 1 10 GLN HE22 H -5.280 2.651 -8.122 1.00 . A A . 68 GLN HE22 1 1 5 1615 1 1 10 GLN HG2 H -6.953 0.414 -5.912 1.00 . A A . 68 GLN HG2 1 1 5 1616 1 1 10 GLN HG3 H -5.454 -0.511 -5.974 1.00 . A A . 68 GLN HG3 1 1 5 1617 1 1 10 GLN N N -6.158 -2.988 -5.603 1.00 . A A . 68 GLN N 1 1 5 1618 1 1 10 GLN NE2 N -5.617 2.051 -7.414 1.00 . A A . 68 GLN NE2 1 1 5 1619 1 1 10 GLN O O -8.985 -3.142 -7.669 1.00 . A A . 68 GLN O 1 1 5 1620 1 1 10 GLN OE1 O -5.479 0.321 -8.761 1.00 . A A . 68 GLN OE1 1 1 5 1621 1 1 11 LEU C C -9.479 -6.599 -5.276 1.00 . A A . 69 LEU C 1 1 5 1622 1 1 11 LEU CA C -9.352 -5.552 -6.377 1.00 . A A . 69 LEU CA 1 1 5 1623 1 1 11 LEU CB C -8.823 -6.195 -7.665 1.00 . A A . 69 LEU CB 1 1 5 1624 1 1 11 LEU CD1 C -11.158 -6.805 -8.394 1.00 . A A . 69 LEU CD1 1 1 5 1625 1 1 11 LEU CD2 C -9.169 -7.956 -9.399 1.00 . A A . 69 LEU CD2 1 1 5 1626 1 1 11 LEU CG C -9.742 -7.339 -8.119 1.00 . A A . 69 LEU CG 1 1 5 1627 1 1 11 LEU H H -7.916 -4.611 -5.140 1.00 . A A . 69 LEU H 1 1 5 1628 1 1 11 LEU HA H -10.324 -5.127 -6.574 1.00 . A A . 69 LEU HA 1 1 5 1629 1 1 11 LEU HB2 H -8.776 -5.446 -8.443 1.00 . A A . 69 LEU HB2 1 1 5 1630 1 1 11 LEU HB3 H -7.833 -6.585 -7.488 1.00 . A A . 69 LEU HB3 1 1 5 1631 1 1 11 LEU HD11 H -11.098 -5.820 -8.833 1.00 . A A . 69 LEU HD11 1 1 5 1632 1 1 11 LEU HD12 H -11.710 -6.753 -7.468 1.00 . A A . 69 LEU HD12 1 1 5 1633 1 1 11 LEU HD13 H -11.673 -7.470 -9.074 1.00 . A A . 69 LEU HD13 1 1 5 1634 1 1 11 LEU HD21 H -8.950 -7.172 -10.110 1.00 . A A . 69 LEU HD21 1 1 5 1635 1 1 11 LEU HD22 H -9.890 -8.637 -9.825 1.00 . A A . 69 LEU HD22 1 1 5 1636 1 1 11 LEU HD23 H -8.261 -8.493 -9.164 1.00 . A A . 69 LEU HD23 1 1 5 1637 1 1 11 LEU HG H -9.789 -8.096 -7.350 1.00 . A A . 69 LEU HG 1 1 5 1638 1 1 11 LEU N N -8.455 -4.489 -5.950 1.00 . A A . 69 LEU N 1 1 5 1639 1 1 11 LEU O O -10.546 -6.740 -4.678 1.00 . A A . 69 LEU O 1 1 5 1640 1 1 12 VAL C C -8.700 -7.632 -2.594 1.00 . A A . 70 VAL C 1 1 5 1641 1 1 12 VAL CA C -8.460 -8.320 -3.932 1.00 . A A . 70 VAL CA 1 1 5 1642 1 1 12 VAL CB C -7.153 -9.111 -3.884 1.00 . A A . 70 VAL CB 1 1 5 1643 1 1 12 VAL CG1 C -7.136 -10.004 -2.638 1.00 . A A . 70 VAL CG1 1 1 5 1644 1 1 12 VAL CG2 C -7.054 -9.984 -5.137 1.00 . A A . 70 VAL CG2 1 1 5 1645 1 1 12 VAL H H -7.560 -7.165 -5.474 1.00 . A A . 70 VAL H 1 1 5 1646 1 1 12 VAL HA H -9.276 -8.999 -4.132 1.00 . A A . 70 VAL HA 1 1 5 1647 1 1 12 VAL HB H -6.316 -8.426 -3.851 1.00 . A A . 70 VAL HB 1 1 5 1648 1 1 12 VAL HG11 H -8.088 -10.507 -2.545 1.00 . A A . 70 VAL HG11 1 1 5 1649 1 1 12 VAL HG12 H -6.965 -9.394 -1.761 1.00 . A A . 70 VAL HG12 1 1 5 1650 1 1 12 VAL HG13 H -6.348 -10.737 -2.727 1.00 . A A . 70 VAL HG13 1 1 5 1651 1 1 12 VAL HG21 H -6.060 -10.398 -5.213 1.00 . A A . 70 VAL HG21 1 1 5 1652 1 1 12 VAL HG22 H -7.262 -9.383 -6.010 1.00 . A A . 70 VAL HG22 1 1 5 1653 1 1 12 VAL HG23 H -7.774 -10.787 -5.072 1.00 . A A . 70 VAL HG23 1 1 5 1654 1 1 12 VAL N N -8.400 -7.320 -4.989 1.00 . A A . 70 VAL N 1 1 5 1655 1 1 12 VAL O O -9.613 -7.990 -1.851 1.00 . A A . 70 VAL O 1 1 5 1656 1 1 13 CYS C C -9.297 -5.038 -1.147 1.00 . A A . 71 CYS C 1 1 5 1657 1 1 13 CYS CA C -8.023 -5.860 -1.090 1.00 . A A . 71 CYS CA 1 1 5 1658 1 1 13 CYS CB C -6.828 -4.928 -0.903 1.00 . A A . 71 CYS CB 1 1 5 1659 1 1 13 CYS H H -7.194 -6.376 -2.955 1.00 . A A . 71 CYS H 1 1 5 1660 1 1 13 CYS HA H -8.071 -6.538 -0.252 1.00 . A A . 71 CYS HA 1 1 5 1661 1 1 13 CYS HB2 H -6.673 -4.359 -1.808 1.00 . A A . 71 CYS HB2 1 1 5 1662 1 1 13 CYS HB3 H -7.023 -4.258 -0.072 1.00 . A A . 71 CYS HB3 1 1 5 1663 1 1 13 CYS HG H -5.520 -6.812 -0.827 1.00 . A A . 71 CYS HG 1 1 5 1664 1 1 13 CYS N N -7.886 -6.624 -2.314 1.00 . A A . 71 CYS N 1 1 5 1665 1 1 13 CYS O O -9.993 -4.873 -0.150 1.00 . A A . 71 CYS O 1 1 5 1666 1 1 13 CYS SG S -5.352 -5.911 -0.542 1.00 . A A . 71 CYS SG 1 1 5 1667 1 1 14 ARG C C -12.025 -4.479 -2.164 1.00 . A A . 72 ARG C 1 1 5 1668 1 1 14 ARG CA C -10.768 -3.687 -2.508 1.00 . A A . 72 ARG CA 1 1 5 1669 1 1 14 ARG CB C -10.844 -3.191 -3.957 1.00 . A A . 72 ARG CB 1 1 5 1670 1 1 14 ARG CD C -11.841 -0.956 -3.317 1.00 . A A . 72 ARG CD 1 1 5 1671 1 1 14 ARG CG C -12.041 -2.240 -4.138 1.00 . A A . 72 ARG CG 1 1 5 1672 1 1 14 ARG CZ C -12.227 -0.169 -1.052 1.00 . A A . 72 ARG CZ 1 1 5 1673 1 1 14 ARG H H -8.987 -4.665 -3.091 1.00 . A A . 72 ARG H 1 1 5 1674 1 1 14 ARG HA H -10.688 -2.842 -1.857 1.00 . A A . 72 ARG HA 1 1 5 1675 1 1 14 ARG HB2 H -9.932 -2.671 -4.205 1.00 . A A . 72 ARG HB2 1 1 5 1676 1 1 14 ARG HB3 H -10.962 -4.038 -4.614 1.00 . A A . 72 ARG HB3 1 1 5 1677 1 1 14 ARG HD2 H -10.791 -0.704 -3.281 1.00 . A A . 72 ARG HD2 1 1 5 1678 1 1 14 ARG HD3 H -12.380 -0.145 -3.788 1.00 . A A . 72 ARG HD3 1 1 5 1679 1 1 14 ARG HE H -12.754 -1.987 -1.705 1.00 . A A . 72 ARG HE 1 1 5 1680 1 1 14 ARG HG2 H -12.131 -1.984 -5.185 1.00 . A A . 72 ARG HG2 1 1 5 1681 1 1 14 ARG HG3 H -12.947 -2.732 -3.818 1.00 . A A . 72 ARG HG3 1 1 5 1682 1 1 14 ARG HH11 H -11.333 1.112 -2.306 1.00 . A A . 72 ARG HH11 1 1 5 1683 1 1 14 ARG HH12 H -11.591 1.696 -0.696 1.00 . A A . 72 ARG HH12 1 1 5 1684 1 1 14 ARG HH21 H -13.093 -1.226 0.412 1.00 . A A . 72 ARG HH21 1 1 5 1685 1 1 14 ARG HH22 H -12.587 0.374 0.841 1.00 . A A . 72 ARG HH22 1 1 5 1686 1 1 14 ARG N N -9.586 -4.510 -2.332 1.00 . A A . 72 ARG N 1 1 5 1687 1 1 14 ARG NE N -12.337 -1.135 -1.957 1.00 . A A . 72 ARG NE 1 1 5 1688 1 1 14 ARG NH1 N -11.674 0.969 -1.377 1.00 . A A . 72 ARG NH1 1 1 5 1689 1 1 14 ARG NH2 N -12.670 -0.355 0.162 1.00 . A A . 72 ARG NH2 1 1 5 1690 1 1 14 ARG O O -12.874 -4.015 -1.406 1.00 . A A . 72 ARG O 1 1 5 1691 1 1 15 LEU C C -13.302 -6.959 -0.985 1.00 . A A . 73 LEU C 1 1 5 1692 1 1 15 LEU CA C -13.286 -6.530 -2.447 1.00 . A A . 73 LEU CA 1 1 5 1693 1 1 15 LEU CB C -13.246 -7.762 -3.355 1.00 . A A . 73 LEU CB 1 1 5 1694 1 1 15 LEU CD1 C -15.768 -7.912 -3.328 1.00 . A A . 73 LEU CD1 1 1 5 1695 1 1 15 LEU CD2 C -14.374 -9.871 -4.021 1.00 . A A . 73 LEU CD2 1 1 5 1696 1 1 15 LEU CG C -14.451 -8.672 -3.079 1.00 . A A . 73 LEU CG 1 1 5 1697 1 1 15 LEU H H -11.420 -6.007 -3.299 1.00 . A A . 73 LEU H 1 1 5 1698 1 1 15 LEU HA H -14.182 -5.975 -2.661 1.00 . A A . 73 LEU HA 1 1 5 1699 1 1 15 LEU HB2 H -13.269 -7.440 -4.391 1.00 . A A . 73 LEU HB2 1 1 5 1700 1 1 15 LEU HB3 H -12.332 -8.314 -3.164 1.00 . A A . 73 LEU HB3 1 1 5 1701 1 1 15 LEU HD11 H -16.559 -8.615 -3.550 1.00 . A A . 73 LEU HD11 1 1 5 1702 1 1 15 LEU HD12 H -15.647 -7.236 -4.162 1.00 . A A . 73 LEU HD12 1 1 5 1703 1 1 15 LEU HD13 H -16.030 -7.351 -2.443 1.00 . A A . 73 LEU HD13 1 1 5 1704 1 1 15 LEU HD21 H -15.297 -10.426 -3.974 1.00 . A A . 73 LEU HD21 1 1 5 1705 1 1 15 LEU HD22 H -13.554 -10.506 -3.726 1.00 . A A . 73 LEU HD22 1 1 5 1706 1 1 15 LEU HD23 H -14.214 -9.519 -5.029 1.00 . A A . 73 LEU HD23 1 1 5 1707 1 1 15 LEU HG H -14.423 -9.017 -2.056 1.00 . A A . 73 LEU HG 1 1 5 1708 1 1 15 LEU N N -12.132 -5.681 -2.715 1.00 . A A . 73 LEU N 1 1 5 1709 1 1 15 LEU O O -14.341 -6.936 -0.325 1.00 . A A . 73 LEU O 1 1 5 1710 1 1 16 VAL C C -12.301 -6.688 1.881 1.00 . A A . 74 VAL C 1 1 5 1711 1 1 16 VAL CA C -11.998 -7.806 0.884 1.00 . A A . 74 VAL CA 1 1 5 1712 1 1 16 VAL CB C -10.573 -8.333 1.094 1.00 . A A . 74 VAL CB 1 1 5 1713 1 1 16 VAL CG1 C -10.318 -8.571 2.588 1.00 . A A . 74 VAL CG1 1 1 5 1714 1 1 16 VAL CG2 C -10.409 -9.658 0.338 1.00 . A A . 74 VAL CG2 1 1 5 1715 1 1 16 VAL H H -11.348 -7.357 -1.078 1.00 . A A . 74 VAL H 1 1 5 1716 1 1 16 VAL HA H -12.688 -8.617 1.053 1.00 . A A . 74 VAL HA 1 1 5 1717 1 1 16 VAL HB H -9.866 -7.607 0.708 1.00 . A A . 74 VAL HB 1 1 5 1718 1 1 16 VAL HG11 H -9.431 -9.174 2.712 1.00 . A A . 74 VAL HG11 1 1 5 1719 1 1 16 VAL HG12 H -11.164 -9.084 3.020 1.00 . A A . 74 VAL HG12 1 1 5 1720 1 1 16 VAL HG13 H -10.184 -7.621 3.087 1.00 . A A . 74 VAL HG13 1 1 5 1721 1 1 16 VAL HG21 H -10.852 -9.573 -0.643 1.00 . A A . 74 VAL HG21 1 1 5 1722 1 1 16 VAL HG22 H -10.903 -10.448 0.885 1.00 . A A . 74 VAL HG22 1 1 5 1723 1 1 16 VAL HG23 H -9.359 -9.891 0.240 1.00 . A A . 74 VAL HG23 1 1 5 1724 1 1 16 VAL N N -12.135 -7.357 -0.493 1.00 . A A . 74 VAL N 1 1 5 1725 1 1 16 VAL O O -13.047 -6.896 2.839 1.00 . A A . 74 VAL O 1 1 5 1726 1 1 17 LEU C C -13.448 -4.037 2.560 1.00 . A A . 75 LEU C 1 1 5 1727 1 1 17 LEU CA C -11.971 -4.397 2.573 1.00 . A A . 75 LEU CA 1 1 5 1728 1 1 17 LEU CB C -11.134 -3.181 2.167 1.00 . A A . 75 LEU CB 1 1 5 1729 1 1 17 LEU CD1 C -8.811 -2.328 1.810 1.00 . A A . 75 LEU CD1 1 1 5 1730 1 1 17 LEU CD2 C -9.386 -3.452 3.983 1.00 . A A . 75 LEU CD2 1 1 5 1731 1 1 17 LEU CG C -9.646 -3.437 2.460 1.00 . A A . 75 LEU CG 1 1 5 1732 1 1 17 LEU H H -11.142 -5.389 0.889 1.00 . A A . 75 LEU H 1 1 5 1733 1 1 17 LEU HA H -11.697 -4.696 3.571 1.00 . A A . 75 LEU HA 1 1 5 1734 1 1 17 LEU HB2 H -11.262 -3.002 1.103 1.00 . A A . 75 LEU HB2 1 1 5 1735 1 1 17 LEU HB3 H -11.469 -2.311 2.724 1.00 . A A . 75 LEU HB3 1 1 5 1736 1 1 17 LEU HD11 H -7.786 -2.408 2.138 1.00 . A A . 75 LEU HD11 1 1 5 1737 1 1 17 LEU HD12 H -9.206 -1.365 2.095 1.00 . A A . 75 LEU HD12 1 1 5 1738 1 1 17 LEU HD13 H -8.853 -2.429 0.735 1.00 . A A . 75 LEU HD13 1 1 5 1739 1 1 17 LEU HD21 H -10.050 -2.760 4.479 1.00 . A A . 75 LEU HD21 1 1 5 1740 1 1 17 LEU HD22 H -8.362 -3.168 4.182 1.00 . A A . 75 LEU HD22 1 1 5 1741 1 1 17 LEU HD23 H -9.553 -4.449 4.366 1.00 . A A . 75 LEU HD23 1 1 5 1742 1 1 17 LEU HG H -9.359 -4.389 2.038 1.00 . A A . 75 LEU HG 1 1 5 1743 1 1 17 LEU N N -11.727 -5.510 1.663 1.00 . A A . 75 LEU N 1 1 5 1744 1 1 17 LEU O O -14.054 -3.817 3.608 1.00 . A A . 75 LEU O 1 1 5 1745 1 1 18 ARG C C -16.282 -4.782 1.907 1.00 . A A . 76 ARG C 1 1 5 1746 1 1 18 ARG CA C -15.443 -3.701 1.236 1.00 . A A . 76 ARG CA 1 1 5 1747 1 1 18 ARG CB C -15.824 -3.583 -0.239 1.00 . A A . 76 ARG CB 1 1 5 1748 1 1 18 ARG CD C -15.449 -2.268 -2.331 1.00 . A A . 76 ARG CD 1 1 5 1749 1 1 18 ARG CG C -15.232 -2.297 -0.818 1.00 . A A . 76 ARG CG 1 1 5 1750 1 1 18 ARG CZ C -17.318 -2.376 -3.880 1.00 . A A . 76 ARG CZ 1 1 5 1751 1 1 18 ARG H H -13.498 -4.209 0.567 1.00 . A A . 76 ARG H 1 1 5 1752 1 1 18 ARG HA H -15.637 -2.761 1.721 1.00 . A A . 76 ARG HA 1 1 5 1753 1 1 18 ARG HB2 H -15.433 -4.434 -0.780 1.00 . A A . 76 ARG HB2 1 1 5 1754 1 1 18 ARG HB3 H -16.900 -3.558 -0.334 1.00 . A A . 76 ARG HB3 1 1 5 1755 1 1 18 ARG HD2 H -14.985 -1.385 -2.743 1.00 . A A . 76 ARG HD2 1 1 5 1756 1 1 18 ARG HD3 H -15.004 -3.148 -2.773 1.00 . A A . 76 ARG HD3 1 1 5 1757 1 1 18 ARG HE H -17.522 -2.129 -1.904 1.00 . A A . 76 ARG HE 1 1 5 1758 1 1 18 ARG HG2 H -15.720 -1.444 -0.368 1.00 . A A . 76 ARG HG2 1 1 5 1759 1 1 18 ARG HG3 H -14.176 -2.256 -0.606 1.00 . A A . 76 ARG HG3 1 1 5 1760 1 1 18 ARG HH11 H -15.487 -2.546 -4.673 1.00 . A A . 76 ARG HH11 1 1 5 1761 1 1 18 ARG HH12 H -16.800 -2.628 -5.798 1.00 . A A . 76 ARG HH12 1 1 5 1762 1 1 18 ARG HH21 H -19.249 -2.233 -3.375 1.00 . A A . 76 ARG HH21 1 1 5 1763 1 1 18 ARG HH22 H -18.932 -2.450 -5.063 1.00 . A A . 76 ARG HH22 1 1 5 1764 1 1 18 ARG N N -14.028 -4.006 1.368 1.00 . A A . 76 ARG N 1 1 5 1765 1 1 18 ARG NE N -16.878 -2.244 -2.634 1.00 . A A . 76 ARG NE 1 1 5 1766 1 1 18 ARG NH1 N -16.469 -2.528 -4.860 1.00 . A A . 76 ARG NH1 1 1 5 1767 1 1 18 ARG NH2 N -18.599 -2.351 -4.125 1.00 . A A . 76 ARG NH2 1 1 5 1768 1 1 18 ARG O O -17.289 -4.491 2.553 1.00 . A A . 76 ARG O 1 1 5 1769 1 1 19 CYS C C -16.607 -7.038 3.851 1.00 . A A . 77 CYS C 1 1 5 1770 1 1 19 CYS CA C -16.570 -7.157 2.331 1.00 . A A . 77 CYS CA 1 1 5 1771 1 1 19 CYS CB C -15.881 -8.464 1.933 1.00 . A A . 77 CYS CB 1 1 5 1772 1 1 19 CYS H H -15.050 -6.199 1.216 1.00 . A A . 77 CYS H 1 1 5 1773 1 1 19 CYS HA H -17.581 -7.169 1.954 1.00 . A A . 77 CYS HA 1 1 5 1774 1 1 19 CYS HB2 H -15.870 -8.552 0.851 1.00 . A A . 77 CYS HB2 1 1 5 1775 1 1 19 CYS HB3 H -14.863 -8.465 2.314 1.00 . A A . 77 CYS HB3 1 1 5 1776 1 1 19 CYS HG H -17.540 -9.504 3.125 1.00 . A A . 77 CYS HG 1 1 5 1777 1 1 19 CYS N N -15.857 -6.031 1.744 1.00 . A A . 77 CYS N 1 1 5 1778 1 1 19 CYS O O -17.658 -7.201 4.470 1.00 . A A . 77 CYS O 1 1 5 1779 1 1 19 CYS SG S -16.791 -9.857 2.642 1.00 . A A . 77 CYS SG 1 1 5 1780 1 1 20 SER C C -16.225 -5.460 6.385 1.00 . A A . 78 SER C 1 1 5 1781 1 1 20 SER CA C -15.364 -6.623 5.897 1.00 . A A . 78 SER CA 1 1 5 1782 1 1 20 SER CB C -13.912 -6.391 6.311 1.00 . A A . 78 SER CB 1 1 5 1783 1 1 20 SER H H -14.647 -6.640 3.904 1.00 . A A . 78 SER H 1 1 5 1784 1 1 20 SER HA H -15.717 -7.534 6.355 1.00 . A A . 78 SER HA 1 1 5 1785 1 1 20 SER HB2 H -13.845 -6.337 7.391 1.00 . A A . 78 SER HB2 1 1 5 1786 1 1 20 SER HB3 H -13.300 -7.214 5.947 1.00 . A A . 78 SER HB3 1 1 5 1787 1 1 20 SER HG H -13.538 -4.486 6.429 1.00 . A A . 78 SER HG 1 1 5 1788 1 1 20 SER N N -15.454 -6.757 4.447 1.00 . A A . 78 SER N 1 1 5 1789 1 1 20 SER O O -16.796 -5.513 7.474 1.00 . A A . 78 SER O 1 1 5 1790 1 1 20 SER OG O -13.456 -5.165 5.755 1.00 . A A . 78 SER OG 1 1 5 1791 1 1 21 MET C C -17.599 -2.524 4.676 1.00 . A A . 79 MET C 1 1 5 1792 1 1 21 MET CA C -17.102 -3.234 5.931 1.00 . A A . 79 MET CA 1 1 5 1793 1 1 21 MET CB C -16.251 -2.270 6.765 1.00 . A A . 79 MET CB 1 1 5 1794 1 1 21 MET CE C -19.197 -0.311 8.878 1.00 . A A . 79 MET CE 1 1 5 1795 1 1 21 MET CG C -17.134 -1.151 7.328 1.00 . A A . 79 MET CG 1 1 5 1796 1 1 21 MET H H -15.832 -4.423 4.718 1.00 . A A . 79 MET H 1 1 5 1797 1 1 21 MET HA H -17.955 -3.546 6.517 1.00 . A A . 79 MET HA 1 1 5 1798 1 1 21 MET HB2 H -15.794 -2.813 7.586 1.00 . A A . 79 MET HB2 1 1 5 1799 1 1 21 MET HB3 H -15.481 -1.835 6.136 1.00 . A A . 79 MET HB3 1 1 5 1800 1 1 21 MET HE1 H -19.582 -0.332 9.890 1.00 . A A . 79 MET HE1 1 1 5 1801 1 1 21 MET HE2 H -20.020 -0.232 8.186 1.00 . A A . 79 MET HE2 1 1 5 1802 1 1 21 MET HE3 H -18.541 0.540 8.754 1.00 . A A . 79 MET HE3 1 1 5 1803 1 1 21 MET HG2 H -16.511 -0.405 7.795 1.00 . A A . 79 MET HG2 1 1 5 1804 1 1 21 MET HG3 H -17.697 -0.697 6.526 1.00 . A A . 79 MET HG3 1 1 5 1805 1 1 21 MET N N -16.309 -4.410 5.573 1.00 . A A . 79 MET N 1 1 5 1806 1 1 21 MET O O -16.866 -2.386 3.698 1.00 . A A . 79 MET O 1 1 5 1807 1 1 21 MET SD S -18.276 -1.834 8.555 1.00 . A A . 79 MET SD 1 1 5 1808 1 1 22 ASP C C -19.182 0.122 3.666 1.00 . A A . 80 ASP C 1 1 5 1809 1 1 22 ASP CA C -19.445 -1.377 3.573 1.00 . A A . 80 ASP CA 1 1 5 1810 1 1 22 ASP CB C -20.954 -1.631 3.537 1.00 . A A . 80 ASP CB 1 1 5 1811 1 1 22 ASP CG C -21.616 -1.022 4.768 1.00 . A A . 80 ASP CG 1 1 5 1812 1 1 22 ASP H H -19.388 -2.214 5.520 1.00 . A A . 80 ASP H 1 1 5 1813 1 1 22 ASP HA H -19.007 -1.753 2.658 1.00 . A A . 80 ASP HA 1 1 5 1814 1 1 22 ASP HB2 H -21.370 -1.184 2.645 1.00 . A A . 80 ASP HB2 1 1 5 1815 1 1 22 ASP HB3 H -21.137 -2.694 3.522 1.00 . A A . 80 ASP HB3 1 1 5 1816 1 1 22 ASP N N -18.853 -2.075 4.712 1.00 . A A . 80 ASP N 1 1 5 1817 1 1 22 ASP O O -18.686 0.553 4.694 1.00 . A A . 80 ASP O 1 1 5 1818 1 1 22 ASP OXT O -19.481 0.817 2.709 1.00 . A A . 80 ASP OXT 1 1 5 1819 1 1 22 ASP OD1 O -20.911 -0.420 5.560 1.00 . A A . 80 ASP OD1 1 1 5 1820 1 1 22 ASP OD2 O -22.820 -1.167 4.900 1.00 . A A . 80 ASP OD2 1 1 6 1821 1 1 1 ASP C C -0.089 -6.445 4.278 1.00 . A A . 59 ASP C 1 1 6 1822 1 1 1 ASP CA C -0.424 -4.974 4.501 1.00 . A A . 59 ASP CA 1 1 6 1823 1 1 1 ASP CB C -1.818 -4.843 5.121 1.00 . A A . 59 ASP CB 1 1 6 1824 1 1 1 ASP CG C -2.028 -3.423 5.635 1.00 . A A . 59 ASP CG 1 1 6 1825 1 1 1 ASP H1 H 0.106 -3.352 3.307 1.00 . A A . 59 ASP H1 1 1 6 1826 1 1 1 ASP H2 H -1.371 -4.076 2.878 1.00 . A A . 59 ASP H2 1 1 6 1827 1 1 1 ASP H3 H 0.096 -4.839 2.489 1.00 . A A . 59 ASP H3 1 1 6 1828 1 1 1 ASP HA H 0.306 -4.537 5.166 1.00 . A A . 59 ASP HA 1 1 6 1829 1 1 1 ASP HB2 H -2.567 -5.067 4.369 1.00 . A A . 59 ASP HB2 1 1 6 1830 1 1 1 ASP HB3 H -1.909 -5.541 5.948 1.00 . A A . 59 ASP HB3 1 1 6 1831 1 1 1 ASP N N -0.396 -4.256 3.196 1.00 . A A . 59 ASP N 1 1 6 1832 1 1 1 ASP O O 0.128 -7.193 5.230 1.00 . A A . 59 ASP O 1 1 6 1833 1 1 1 ASP OD1 O -1.055 -2.691 5.711 1.00 . A A . 59 ASP OD1 1 1 6 1834 1 1 1 ASP OD2 O -3.159 -3.087 5.946 1.00 . A A . 59 ASP OD2 1 1 6 1835 1 1 2 THR C C 0.943 -8.297 1.297 1.00 . A A . 60 THR C 1 1 6 1836 1 1 2 THR CA C 0.262 -8.236 2.659 1.00 . A A . 60 THR CA 1 1 6 1837 1 1 2 THR CB C -1.020 -9.073 2.619 1.00 . A A . 60 THR CB 1 1 6 1838 1 1 2 THR CG2 C -1.741 -8.988 3.967 1.00 . A A . 60 THR CG2 1 1 6 1839 1 1 2 THR H H -0.230 -6.205 2.295 1.00 . A A . 60 THR H 1 1 6 1840 1 1 2 THR HA H 0.929 -8.651 3.398 1.00 . A A . 60 THR HA 1 1 6 1841 1 1 2 THR HB H -0.771 -10.103 2.417 1.00 . A A . 60 THR HB 1 1 6 1842 1 1 2 THR HG1 H -1.874 -7.623 1.643 1.00 . A A . 60 THR HG1 1 1 6 1843 1 1 2 THR HG21 H -2.167 -8.003 4.087 1.00 . A A . 60 THR HG21 1 1 6 1844 1 1 2 THR HG22 H -1.037 -9.176 4.765 1.00 . A A . 60 THR HG22 1 1 6 1845 1 1 2 THR HG23 H -2.528 -9.727 4.001 1.00 . A A . 60 THR HG23 1 1 6 1846 1 1 2 THR N N -0.048 -6.850 3.010 1.00 . A A . 60 THR N 1 1 6 1847 1 1 2 THR O O 0.877 -7.345 0.519 1.00 . A A . 60 THR O 1 1 6 1848 1 1 2 THR OG1 O -1.872 -8.582 1.593 1.00 . A A . 60 THR OG1 1 1 6 1849 1 1 3 LEU C C 1.258 -9.555 -1.405 1.00 . A A . 61 LEU C 1 1 6 1850 1 1 3 LEU CA C 2.271 -9.589 -0.266 1.00 . A A . 61 LEU CA 1 1 6 1851 1 1 3 LEU CB C 3.038 -10.919 -0.292 1.00 . A A . 61 LEU CB 1 1 6 1852 1 1 3 LEU CD1 C 4.011 -10.613 2.006 1.00 . A A . 61 LEU CD1 1 1 6 1853 1 1 3 LEU CD2 C 5.159 -12.078 0.341 1.00 . A A . 61 LEU CD2 1 1 6 1854 1 1 3 LEU CG C 4.334 -10.800 0.522 1.00 . A A . 61 LEU CG 1 1 6 1855 1 1 3 LEU H H 1.602 -10.149 1.666 1.00 . A A . 61 LEU H 1 1 6 1856 1 1 3 LEU HA H 2.970 -8.777 -0.399 1.00 . A A . 61 LEU HA 1 1 6 1857 1 1 3 LEU HB2 H 2.419 -11.695 0.133 1.00 . A A . 61 LEU HB2 1 1 6 1858 1 1 3 LEU HB3 H 3.283 -11.174 -1.313 1.00 . A A . 61 LEU HB3 1 1 6 1859 1 1 3 LEU HD11 H 4.895 -10.805 2.596 1.00 . A A . 61 LEU HD11 1 1 6 1860 1 1 3 LEU HD12 H 3.231 -11.300 2.296 1.00 . A A . 61 LEU HD12 1 1 6 1861 1 1 3 LEU HD13 H 3.680 -9.598 2.179 1.00 . A A . 61 LEU HD13 1 1 6 1862 1 1 3 LEU HD21 H 5.484 -12.153 -0.686 1.00 . A A . 61 LEU HD21 1 1 6 1863 1 1 3 LEU HD22 H 4.552 -12.937 0.591 1.00 . A A . 61 LEU HD22 1 1 6 1864 1 1 3 LEU HD23 H 6.022 -12.044 0.990 1.00 . A A . 61 LEU HD23 1 1 6 1865 1 1 3 LEU HG H 4.903 -9.953 0.169 1.00 . A A . 61 LEU HG 1 1 6 1866 1 1 3 LEU N N 1.589 -9.422 1.011 1.00 . A A . 61 LEU N 1 1 6 1867 1 1 3 LEU O O 1.507 -8.964 -2.455 1.00 . A A . 61 LEU O 1 1 6 1868 1 1 4 LEU C C -1.462 -8.803 -2.446 1.00 . A A . 62 LEU C 1 1 6 1869 1 1 4 LEU CA C -0.935 -10.213 -2.200 1.00 . A A . 62 LEU CA 1 1 6 1870 1 1 4 LEU CB C -2.075 -11.125 -1.745 1.00 . A A . 62 LEU CB 1 1 6 1871 1 1 4 LEU CD1 C -2.632 -11.716 -4.136 1.00 . A A . 62 LEU CD1 1 1 6 1872 1 1 4 LEU CD2 C -4.306 -12.080 -2.307 1.00 . A A . 62 LEU CD2 1 1 6 1873 1 1 4 LEU CG C -3.184 -11.169 -2.808 1.00 . A A . 62 LEU CG 1 1 6 1874 1 1 4 LEU H H -0.036 -10.637 -0.329 1.00 . A A . 62 LEU H 1 1 6 1875 1 1 4 LEU HA H -0.518 -10.599 -3.116 1.00 . A A . 62 LEU HA 1 1 6 1876 1 1 4 LEU HB2 H -1.691 -12.122 -1.587 1.00 . A A . 62 LEU HB2 1 1 6 1877 1 1 4 LEU HB3 H -2.483 -10.747 -0.821 1.00 . A A . 62 LEU HB3 1 1 6 1878 1 1 4 LEU HD11 H -2.178 -10.911 -4.696 1.00 . A A . 62 LEU HD11 1 1 6 1879 1 1 4 LEU HD12 H -3.437 -12.140 -4.720 1.00 . A A . 62 LEU HD12 1 1 6 1880 1 1 4 LEU HD13 H -1.893 -12.479 -3.940 1.00 . A A . 62 LEU HD13 1 1 6 1881 1 1 4 LEU HD21 H -4.857 -11.577 -1.526 1.00 . A A . 62 LEU HD21 1 1 6 1882 1 1 4 LEU HD22 H -3.883 -12.993 -1.918 1.00 . A A . 62 LEU HD22 1 1 6 1883 1 1 4 LEU HD23 H -4.972 -12.314 -3.124 1.00 . A A . 62 LEU HD23 1 1 6 1884 1 1 4 LEU HG H -3.574 -10.174 -2.965 1.00 . A A . 62 LEU HG 1 1 6 1885 1 1 4 LEU N N 0.111 -10.186 -1.187 1.00 . A A . 62 LEU N 1 1 6 1886 1 1 4 LEU O O -1.684 -8.405 -3.588 1.00 . A A . 62 LEU O 1 1 6 1887 1 1 5 GLY C C -1.199 -5.862 -2.313 1.00 . A A . 63 GLY C 1 1 6 1888 1 1 5 GLY CA C -2.158 -6.693 -1.477 1.00 . A A . 63 GLY CA 1 1 6 1889 1 1 5 GLY H H -1.468 -8.423 -0.478 1.00 . A A . 63 GLY H 1 1 6 1890 1 1 5 GLY HA2 H -3.134 -6.706 -1.952 1.00 . A A . 63 GLY HA2 1 1 6 1891 1 1 5 GLY HA3 H -2.237 -6.257 -0.487 1.00 . A A . 63 GLY HA3 1 1 6 1892 1 1 5 GLY N N -1.659 -8.055 -1.365 1.00 . A A . 63 GLY N 1 1 6 1893 1 1 5 GLY O O -1.577 -4.838 -2.878 1.00 . A A . 63 GLY O 1 1 6 1894 1 1 6 ARG C C 1.019 -6.122 -4.625 1.00 . A A . 64 ARG C 1 1 6 1895 1 1 6 ARG CA C 1.055 -5.623 -3.187 1.00 . A A . 64 ARG CA 1 1 6 1896 1 1 6 ARG CB C 2.448 -5.846 -2.592 1.00 . A A . 64 ARG CB 1 1 6 1897 1 1 6 ARG CD C 3.907 -5.423 -0.609 1.00 . A A . 64 ARG CD 1 1 6 1898 1 1 6 ARG CG C 2.548 -5.127 -1.245 1.00 . A A . 64 ARG CG 1 1 6 1899 1 1 6 ARG CZ C 5.332 -3.623 -1.408 1.00 . A A . 64 ARG CZ 1 1 6 1900 1 1 6 ARG H H 0.286 -7.150 -1.940 1.00 . A A . 64 ARG H 1 1 6 1901 1 1 6 ARG HA H 0.837 -4.567 -3.180 1.00 . A A . 64 ARG HA 1 1 6 1902 1 1 6 ARG HB2 H 2.616 -6.901 -2.451 1.00 . A A . 64 ARG HB2 1 1 6 1903 1 1 6 ARG HB3 H 3.194 -5.449 -3.265 1.00 . A A . 64 ARG HB3 1 1 6 1904 1 1 6 ARG HD2 H 3.957 -4.953 0.363 1.00 . A A . 64 ARG HD2 1 1 6 1905 1 1 6 ARG HD3 H 4.021 -6.490 -0.494 1.00 . A A . 64 ARG HD3 1 1 6 1906 1 1 6 ARG HE H 5.454 -5.512 -2.056 1.00 . A A . 64 ARG HE 1 1 6 1907 1 1 6 ARG HG2 H 2.445 -4.062 -1.398 1.00 . A A . 64 ARG HG2 1 1 6 1908 1 1 6 ARG HG3 H 1.763 -5.474 -0.592 1.00 . A A . 64 ARG HG3 1 1 6 1909 1 1 6 ARG HH11 H 3.972 -3.138 -0.020 1.00 . A A . 64 ARG HH11 1 1 6 1910 1 1 6 ARG HH12 H 4.974 -1.839 -0.572 1.00 . A A . 64 ARG HH12 1 1 6 1911 1 1 6 ARG HH21 H 6.770 -3.812 -2.786 1.00 . A A . 64 ARG HH21 1 1 6 1912 1 1 6 ARG HH22 H 6.558 -2.219 -2.139 1.00 . A A . 64 ARG HH22 1 1 6 1913 1 1 6 ARG N N 0.045 -6.321 -2.401 1.00 . A A . 64 ARG N 1 1 6 1914 1 1 6 ARG NE N 4.982 -4.904 -1.449 1.00 . A A . 64 ARG NE 1 1 6 1915 1 1 6 ARG NH1 N 4.712 -2.802 -0.604 1.00 . A A . 64 ARG NH1 1 1 6 1916 1 1 6 ARG NH2 N 6.295 -3.184 -2.170 1.00 . A A . 64 ARG NH2 1 1 6 1917 1 1 6 ARG O O 2.042 -6.169 -5.307 1.00 . A A . 64 ARG O 1 1 6 1918 1 1 7 MET C C -1.789 -6.721 -6.907 1.00 . A A . 65 MET C 1 1 6 1919 1 1 7 MET CA C -0.363 -6.996 -6.431 1.00 . A A . 65 MET CA 1 1 6 1920 1 1 7 MET CB C -0.090 -8.501 -6.475 1.00 . A A . 65 MET CB 1 1 6 1921 1 1 7 MET CE C 0.259 -10.937 -9.776 1.00 . A A . 65 MET CE 1 1 6 1922 1 1 7 MET CG C -0.077 -8.976 -7.929 1.00 . A A . 65 MET CG 1 1 6 1923 1 1 7 MET H H -0.952 -6.435 -4.472 1.00 . A A . 65 MET H 1 1 6 1924 1 1 7 MET HA H 0.328 -6.496 -7.091 1.00 . A A . 65 MET HA 1 1 6 1925 1 1 7 MET HB2 H 0.868 -8.705 -6.021 1.00 . A A . 65 MET HB2 1 1 6 1926 1 1 7 MET HB3 H -0.864 -9.024 -5.934 1.00 . A A . 65 MET HB3 1 1 6 1927 1 1 7 MET HE1 H 1.002 -10.304 -10.239 1.00 . A A . 65 MET HE1 1 1 6 1928 1 1 7 MET HE2 H -0.720 -10.658 -10.131 1.00 . A A . 65 MET HE2 1 1 6 1929 1 1 7 MET HE3 H 0.451 -11.971 -10.032 1.00 . A A . 65 MET HE3 1 1 6 1930 1 1 7 MET HG2 H -1.057 -8.823 -8.368 1.00 . A A . 65 MET HG2 1 1 6 1931 1 1 7 MET HG3 H 0.669 -8.416 -8.486 1.00 . A A . 65 MET HG3 1 1 6 1932 1 1 7 MET N N -0.177 -6.496 -5.072 1.00 . A A . 65 MET N 1 1 6 1933 1 1 7 MET O O -2.003 -6.300 -8.043 1.00 . A A . 65 MET O 1 1 6 1934 1 1 7 MET SD S 0.335 -10.738 -7.980 1.00 . A A . 65 MET SD 1 1 6 1935 1 1 8 LEU C C -4.812 -5.876 -5.237 1.00 . A A . 66 LEU C 1 1 6 1936 1 1 8 LEU CA C -4.168 -6.708 -6.340 1.00 . A A . 66 LEU CA 1 1 6 1937 1 1 8 LEU CB C -4.894 -8.052 -6.459 1.00 . A A . 66 LEU CB 1 1 6 1938 1 1 8 LEU CD1 C -4.858 -10.307 -7.534 1.00 . A A . 66 LEU CD1 1 1 6 1939 1 1 8 LEU CD2 C -4.471 -8.264 -8.936 1.00 . A A . 66 LEU CD2 1 1 6 1940 1 1 8 LEU CG C -4.241 -8.904 -7.555 1.00 . A A . 66 LEU CG 1 1 6 1941 1 1 8 LEU H H -2.525 -7.273 -5.129 1.00 . A A . 66 LEU H 1 1 6 1942 1 1 8 LEU HA H -4.261 -6.171 -7.271 1.00 . A A . 66 LEU HA 1 1 6 1943 1 1 8 LEU HB2 H -4.831 -8.574 -5.515 1.00 . A A . 66 LEU HB2 1 1 6 1944 1 1 8 LEU HB3 H -5.929 -7.883 -6.704 1.00 . A A . 66 LEU HB3 1 1 6 1945 1 1 8 LEU HD11 H -4.433 -10.899 -8.332 1.00 . A A . 66 LEU HD11 1 1 6 1946 1 1 8 LEU HD12 H -5.926 -10.232 -7.671 1.00 . A A . 66 LEU HD12 1 1 6 1947 1 1 8 LEU HD13 H -4.647 -10.778 -6.585 1.00 . A A . 66 LEU HD13 1 1 6 1948 1 1 8 LEU HD21 H -4.368 -9.016 -9.708 1.00 . A A . 66 LEU HD21 1 1 6 1949 1 1 8 LEU HD22 H -3.739 -7.488 -9.100 1.00 . A A . 66 LEU HD22 1 1 6 1950 1 1 8 LEU HD23 H -5.463 -7.838 -8.982 1.00 . A A . 66 LEU HD23 1 1 6 1951 1 1 8 LEU HG H -3.180 -8.980 -7.363 1.00 . A A . 66 LEU HG 1 1 6 1952 1 1 8 LEU N N -2.760 -6.947 -6.021 1.00 . A A . 66 LEU N 1 1 6 1953 1 1 8 LEU O O -5.787 -6.298 -4.615 1.00 . A A . 66 LEU O 1 1 6 1954 1 1 9 PRO C C -6.156 -3.177 -4.320 1.00 . A A . 67 PRO C 1 1 6 1955 1 1 9 PRO CA C -4.814 -3.793 -3.934 1.00 . A A . 67 PRO CA 1 1 6 1956 1 1 9 PRO CB C -3.723 -2.719 -3.800 1.00 . A A . 67 PRO CB 1 1 6 1957 1 1 9 PRO CD C -3.114 -4.121 -5.672 1.00 . A A . 67 PRO CD 1 1 6 1958 1 1 9 PRO CG C -3.068 -2.683 -5.145 1.00 . A A . 67 PRO CG 1 1 6 1959 1 1 9 PRO HA H -4.908 -4.331 -3.009 1.00 . A A . 67 PRO HA 1 1 6 1960 1 1 9 PRO HB2 H -4.166 -1.751 -3.564 1.00 . A A . 67 PRO HB2 1 1 6 1961 1 1 9 PRO HB3 H -3.002 -3.004 -3.044 1.00 . A A . 67 PRO HB3 1 1 6 1962 1 1 9 PRO HD2 H -3.255 -4.130 -6.745 1.00 . A A . 67 PRO HD2 1 1 6 1963 1 1 9 PRO HD3 H -2.218 -4.655 -5.398 1.00 . A A . 67 PRO HD3 1 1 6 1964 1 1 9 PRO HG2 H -3.620 -2.021 -5.812 1.00 . A A . 67 PRO HG2 1 1 6 1965 1 1 9 PRO HG3 H -2.036 -2.357 -5.056 1.00 . A A . 67 PRO HG3 1 1 6 1966 1 1 9 PRO N N -4.281 -4.704 -4.986 1.00 . A A . 67 PRO N 1 1 6 1967 1 1 9 PRO O O -6.978 -2.869 -3.458 1.00 . A A . 67 PRO O 1 1 6 1968 1 1 10 GLN C C -8.480 -3.495 -6.732 1.00 . A A . 68 GLN C 1 1 6 1969 1 1 10 GLN CA C -7.616 -2.408 -6.108 1.00 . A A . 68 GLN CA 1 1 6 1970 1 1 10 GLN CB C -7.314 -1.318 -7.136 1.00 . A A . 68 GLN CB 1 1 6 1971 1 1 10 GLN CD C -8.217 0.713 -8.288 1.00 . A A . 68 GLN CD 1 1 6 1972 1 1 10 GLN CG C -8.564 -0.464 -7.381 1.00 . A A . 68 GLN CG 1 1 6 1973 1 1 10 GLN H H -5.676 -3.255 -6.262 1.00 . A A . 68 GLN H 1 1 6 1974 1 1 10 GLN HA H -8.157 -1.965 -5.283 1.00 . A A . 68 GLN HA 1 1 6 1975 1 1 10 GLN HB2 H -6.520 -0.686 -6.754 1.00 . A A . 68 GLN HB2 1 1 6 1976 1 1 10 GLN HB3 H -7.005 -1.779 -8.066 1.00 . A A . 68 GLN HB3 1 1 6 1977 1 1 10 GLN HE21 H -10.073 1.431 -8.298 1.00 . A A . 68 GLN HE21 1 1 6 1978 1 1 10 GLN HE22 H -8.933 2.321 -9.215 1.00 . A A . 68 GLN HE22 1 1 6 1979 1 1 10 GLN HG2 H -9.326 -1.063 -7.853 1.00 . A A . 68 GLN HG2 1 1 6 1980 1 1 10 GLN HG3 H -8.934 -0.089 -6.439 1.00 . A A . 68 GLN HG3 1 1 6 1981 1 1 10 GLN N N -6.369 -2.994 -5.620 1.00 . A A . 68 GLN N 1 1 6 1982 1 1 10 GLN NE2 N -9.152 1.559 -8.628 1.00 . A A . 68 GLN NE2 1 1 6 1983 1 1 10 GLN O O -8.988 -3.351 -7.844 1.00 . A A . 68 GLN O 1 1 6 1984 1 1 10 GLN OE1 O -7.066 0.866 -8.696 1.00 . A A . 68 GLN OE1 1 1 6 1985 1 1 11 LEU C C -9.642 -6.717 -5.355 1.00 . A A . 69 LEU C 1 1 6 1986 1 1 11 LEU CA C -9.442 -5.699 -6.473 1.00 . A A . 69 LEU CA 1 1 6 1987 1 1 11 LEU CB C -8.763 -6.356 -7.682 1.00 . A A . 69 LEU CB 1 1 6 1988 1 1 11 LEU CD1 C -10.987 -7.113 -8.596 1.00 . A A . 69 LEU CD1 1 1 6 1989 1 1 11 LEU CD2 C -8.859 -8.187 -9.376 1.00 . A A . 69 LEU CD2 1 1 6 1990 1 1 11 LEU CG C -9.579 -7.562 -8.175 1.00 . A A . 69 LEU CG 1 1 6 1991 1 1 11 LEU H H -8.198 -4.647 -5.126 1.00 . A A . 69 LEU H 1 1 6 1992 1 1 11 LEU HA H -10.405 -5.322 -6.778 1.00 . A A . 69 LEU HA 1 1 6 1993 1 1 11 LEU HB2 H -8.682 -5.632 -8.479 1.00 . A A . 69 LEU HB2 1 1 6 1994 1 1 11 LEU HB3 H -7.777 -6.684 -7.401 1.00 . A A . 69 LEU HB3 1 1 6 1995 1 1 11 LEU HD11 H -11.406 -7.830 -9.290 1.00 . A A . 69 LEU HD11 1 1 6 1996 1 1 11 LEU HD12 H -10.935 -6.144 -9.073 1.00 . A A . 69 LEU HD12 1 1 6 1997 1 1 11 LEU HD13 H -11.620 -7.052 -7.725 1.00 . A A . 69 LEU HD13 1 1 6 1998 1 1 11 LEU HD21 H -9.330 -9.125 -9.630 1.00 . A A . 69 LEU HD21 1 1 6 1999 1 1 11 LEU HD22 H -7.823 -8.361 -9.125 1.00 . A A . 69 LEU HD22 1 1 6 2000 1 1 11 LEU HD23 H -8.916 -7.515 -10.220 1.00 . A A . 69 LEU HD23 1 1 6 2001 1 1 11 LEU HG H -9.657 -8.295 -7.387 1.00 . A A . 69 LEU HG 1 1 6 2002 1 1 11 LEU N N -8.639 -4.587 -6.000 1.00 . A A . 69 LEU N 1 1 6 2003 1 1 11 LEU O O -10.737 -6.820 -4.802 1.00 . A A . 69 LEU O 1 1 6 2004 1 1 12 VAL C C -8.976 -7.733 -2.613 1.00 . A A . 70 VAL C 1 1 6 2005 1 1 12 VAL CA C -8.729 -8.442 -3.935 1.00 . A A . 70 VAL CA 1 1 6 2006 1 1 12 VAL CB C -7.465 -9.296 -3.835 1.00 . A A . 70 VAL CB 1 1 6 2007 1 1 12 VAL CG1 C -7.544 -10.179 -2.583 1.00 . A A . 70 VAL CG1 1 1 6 2008 1 1 12 VAL CG2 C -7.358 -10.184 -5.079 1.00 . A A . 70 VAL CG2 1 1 6 2009 1 1 12 VAL H H -7.730 -7.341 -5.459 1.00 . A A . 70 VAL H 1 1 6 2010 1 1 12 VAL HA H -9.569 -9.085 -4.154 1.00 . A A . 70 VAL HA 1 1 6 2011 1 1 12 VAL HB H -6.599 -8.652 -3.772 1.00 . A A . 70 VAL HB 1 1 6 2012 1 1 12 VAL HG11 H -6.809 -10.963 -2.647 1.00 . A A . 70 VAL HG11 1 1 6 2013 1 1 12 VAL HG12 H -8.530 -10.614 -2.512 1.00 . A A . 70 VAL HG12 1 1 6 2014 1 1 12 VAL HG13 H -7.356 -9.575 -1.707 1.00 . A A . 70 VAL HG13 1 1 6 2015 1 1 12 VAL HG21 H -7.394 -9.567 -5.965 1.00 . A A . 70 VAL HG21 1 1 6 2016 1 1 12 VAL HG22 H -8.181 -10.883 -5.092 1.00 . A A . 70 VAL HG22 1 1 6 2017 1 1 12 VAL HG23 H -6.425 -10.727 -5.055 1.00 . A A . 70 VAL HG23 1 1 6 2018 1 1 12 VAL N N -8.594 -7.463 -5.008 1.00 . A A . 70 VAL N 1 1 6 2019 1 1 12 VAL O O -9.925 -8.042 -1.892 1.00 . A A . 70 VAL O 1 1 6 2020 1 1 13 CYS C C -9.507 -5.138 -1.186 1.00 . A A . 71 CYS C 1 1 6 2021 1 1 13 CYS CA C -8.253 -5.986 -1.104 1.00 . A A . 71 CYS CA 1 1 6 2022 1 1 13 CYS CB C -7.035 -5.087 -0.911 1.00 . A A . 71 CYS CB 1 1 6 2023 1 1 13 CYS H H -7.402 -6.557 -2.940 1.00 . A A . 71 CYS H 1 1 6 2024 1 1 13 CYS HA H -8.328 -6.655 -0.264 1.00 . A A . 71 CYS HA 1 1 6 2025 1 1 13 CYS HB2 H -6.853 -4.534 -1.820 1.00 . A A . 71 CYS HB2 1 1 6 2026 1 1 13 CYS HB3 H -7.223 -4.401 -0.091 1.00 . A A . 71 CYS HB3 1 1 6 2027 1 1 13 CYS HG H -5.765 -6.995 -0.844 1.00 . A A . 71 CYS HG 1 1 6 2028 1 1 13 CYS N N -8.124 -6.763 -2.319 1.00 . A A . 71 CYS N 1 1 6 2029 1 1 13 CYS O O -10.204 -4.934 -0.196 1.00 . A A . 71 CYS O 1 1 6 2030 1 1 13 CYS SG S -5.594 -6.107 -0.522 1.00 . A A . 71 CYS SG 1 1 6 2031 1 1 14 ARG C C -12.213 -4.525 -2.218 1.00 . A A . 72 ARG C 1 1 6 2032 1 1 14 ARG CA C -10.934 -3.779 -2.586 1.00 . A A . 72 ARG CA 1 1 6 2033 1 1 14 ARG CB C -10.999 -3.335 -4.052 1.00 . A A . 72 ARG CB 1 1 6 2034 1 1 14 ARG CD C -11.982 -1.068 -3.511 1.00 . A A . 72 ARG CD 1 1 6 2035 1 1 14 ARG CG C -12.188 -2.384 -4.281 1.00 . A A . 72 ARG CG 1 1 6 2036 1 1 14 ARG CZ C -12.373 -0.184 -1.283 1.00 . A A . 72 ARG CZ 1 1 6 2037 1 1 14 ARG H H -9.173 -4.812 -3.134 1.00 . A A . 72 ARG H 1 1 6 2038 1 1 14 ARG HA H -10.831 -2.912 -1.966 1.00 . A A . 72 ARG HA 1 1 6 2039 1 1 14 ARG HB2 H -10.083 -2.831 -4.311 1.00 . A A . 72 ARG HB2 1 1 6 2040 1 1 14 ARG HB3 H -11.116 -4.205 -4.681 1.00 . A A . 72 ARG HB3 1 1 6 2041 1 1 14 ARG HD2 H -10.932 -0.817 -3.493 1.00 . A A . 72 ARG HD2 1 1 6 2042 1 1 14 ARG HD3 H -12.525 -0.276 -4.009 1.00 . A A . 72 ARG HD3 1 1 6 2043 1 1 14 ARG HE H -12.865 -2.043 -1.847 1.00 . A A . 72 ARG HE 1 1 6 2044 1 1 14 ARG HG2 H -12.268 -2.170 -5.337 1.00 . A A . 72 ARG HG2 1 1 6 2045 1 1 14 ARG HG3 H -13.100 -2.852 -3.947 1.00 . A A . 72 ARG HG3 1 1 6 2046 1 1 14 ARG HH11 H -11.520 1.054 -2.604 1.00 . A A . 72 ARG HH11 1 1 6 2047 1 1 14 ARG HH12 H -11.780 1.709 -1.022 1.00 . A A . 72 ARG HH12 1 1 6 2048 1 1 14 ARG HH21 H -13.208 -1.190 0.234 1.00 . A A . 72 ARG HH21 1 1 6 2049 1 1 14 ARG HH22 H -12.736 0.438 0.584 1.00 . A A . 72 ARG HH22 1 1 6 2050 1 1 14 ARG N N -9.774 -4.626 -2.382 1.00 . A A . 72 ARG N 1 1 6 2051 1 1 14 ARG NE N -12.467 -1.196 -2.142 1.00 . A A . 72 ARG NE 1 1 6 2052 1 1 14 ARG NH1 N -11.850 0.948 -1.666 1.00 . A A . 72 ARG NH1 1 1 6 2053 1 1 14 ARG NH2 N -12.806 -0.323 -0.060 1.00 . A A . 72 ARG NH2 1 1 6 2054 1 1 14 ARG O O -13.042 -4.018 -1.467 1.00 . A A . 72 ARG O 1 1 6 2055 1 1 15 LEU C C -13.569 -6.942 -0.985 1.00 . A A . 73 LEU C 1 1 6 2056 1 1 15 LEU CA C -13.549 -6.535 -2.452 1.00 . A A . 73 LEU CA 1 1 6 2057 1 1 15 LEU CB C -13.560 -7.791 -3.328 1.00 . A A . 73 LEU CB 1 1 6 2058 1 1 15 LEU CD1 C -13.574 -8.649 -5.673 1.00 . A A . 73 LEU CD1 1 1 6 2059 1 1 15 LEU CD2 C -15.221 -6.870 -5.006 1.00 . A A . 73 LEU CD2 1 1 6 2060 1 1 15 LEU CG C -13.789 -7.410 -4.800 1.00 . A A . 73 LEU CG 1 1 6 2061 1 1 15 LEU H H -11.669 -6.097 -3.328 1.00 . A A . 73 LEU H 1 1 6 2062 1 1 15 LEU HA H -14.429 -5.951 -2.662 1.00 . A A . 73 LEU HA 1 1 6 2063 1 1 15 LEU HB2 H -12.604 -8.297 -3.236 1.00 . A A . 73 LEU HB2 1 1 6 2064 1 1 15 LEU HB3 H -14.355 -8.453 -2.999 1.00 . A A . 73 LEU HB3 1 1 6 2065 1 1 15 LEU HD11 H -12.549 -8.980 -5.585 1.00 . A A . 73 LEU HD11 1 1 6 2066 1 1 15 LEU HD12 H -13.785 -8.404 -6.704 1.00 . A A . 73 LEU HD12 1 1 6 2067 1 1 15 LEU HD13 H -14.235 -9.438 -5.350 1.00 . A A . 73 LEU HD13 1 1 6 2068 1 1 15 LEU HD21 H -15.904 -7.368 -4.332 1.00 . A A . 73 LEU HD21 1 1 6 2069 1 1 15 LEU HD22 H -15.535 -7.046 -6.026 1.00 . A A . 73 LEU HD22 1 1 6 2070 1 1 15 LEU HD23 H -15.236 -5.809 -4.813 1.00 . A A . 73 LEU HD23 1 1 6 2071 1 1 15 LEU HG H -13.074 -6.648 -5.082 1.00 . A A . 73 LEU HG 1 1 6 2072 1 1 15 LEU N N -12.365 -5.735 -2.744 1.00 . A A . 73 LEU N 1 1 6 2073 1 1 15 LEU O O -14.612 -6.914 -0.331 1.00 . A A . 73 LEU O 1 1 6 2074 1 1 16 VAL C C -12.572 -6.609 1.878 1.00 . A A . 74 VAL C 1 1 6 2075 1 1 16 VAL CA C -12.276 -7.752 0.907 1.00 . A A . 74 VAL CA 1 1 6 2076 1 1 16 VAL CB C -10.863 -8.292 1.137 1.00 . A A . 74 VAL CB 1 1 6 2077 1 1 16 VAL CG1 C -10.621 -8.506 2.637 1.00 . A A . 74 VAL CG1 1 1 6 2078 1 1 16 VAL CG2 C -10.712 -9.634 0.408 1.00 . A A . 74 VAL CG2 1 1 6 2079 1 1 16 VAL H H -11.612 -7.332 -1.056 1.00 . A A . 74 VAL H 1 1 6 2080 1 1 16 VAL HA H -12.982 -8.549 1.090 1.00 . A A . 74 VAL HA 1 1 6 2081 1 1 16 VAL HB H -10.145 -7.585 0.743 1.00 . A A . 74 VAL HB 1 1 6 2082 1 1 16 VAL HG11 H -11.476 -9.003 3.071 1.00 . A A . 74 VAL HG11 1 1 6 2083 1 1 16 VAL HG12 H -10.479 -7.550 3.119 1.00 . A A . 74 VAL HG12 1 1 6 2084 1 1 16 VAL HG13 H -9.740 -9.116 2.778 1.00 . A A . 74 VAL HG13 1 1 6 2085 1 1 16 VAL HG21 H -11.225 -10.405 0.963 1.00 . A A . 74 VAL HG21 1 1 6 2086 1 1 16 VAL HG22 H -9.665 -9.885 0.327 1.00 . A A . 74 VAL HG22 1 1 6 2087 1 1 16 VAL HG23 H -11.141 -9.558 -0.581 1.00 . A A . 74 VAL HG23 1 1 6 2088 1 1 16 VAL N N -12.405 -7.328 -0.480 1.00 . A A . 74 VAL N 1 1 6 2089 1 1 16 VAL O O -13.330 -6.783 2.832 1.00 . A A . 74 VAL O 1 1 6 2090 1 1 17 LEU C C -13.667 -3.917 2.492 1.00 . A A . 75 LEU C 1 1 6 2091 1 1 17 LEU CA C -12.200 -4.310 2.524 1.00 . A A . 75 LEU CA 1 1 6 2092 1 1 17 LEU CB C -11.335 -3.119 2.095 1.00 . A A . 75 LEU CB 1 1 6 2093 1 1 17 LEU CD1 C -8.995 -2.320 1.734 1.00 . A A . 75 LEU CD1 1 1 6 2094 1 1 17 LEU CD2 C -9.599 -3.406 3.919 1.00 . A A . 75 LEU CD2 1 1 6 2095 1 1 17 LEU CG C -9.853 -3.403 2.397 1.00 . A A . 75 LEU CG 1 1 6 2096 1 1 17 LEU H H -11.374 -5.356 0.870 1.00 . A A . 75 LEU H 1 1 6 2097 1 1 17 LEU HA H -11.938 -4.590 3.530 1.00 . A A . 75 LEU HA 1 1 6 2098 1 1 17 LEU HB2 H -11.457 -2.960 1.028 1.00 . A A . 75 LEU HB2 1 1 6 2099 1 1 17 LEU HB3 H -11.651 -2.232 2.635 1.00 . A A . 75 LEU HB3 1 1 6 2100 1 1 17 LEU HD11 H -9.348 -1.346 2.037 1.00 . A A . 75 LEU HD11 1 1 6 2101 1 1 17 LEU HD12 H -9.065 -2.412 0.660 1.00 . A A . 75 LEU HD12 1 1 6 2102 1 1 17 LEU HD13 H -7.966 -2.441 2.039 1.00 . A A . 75 LEU HD13 1 1 6 2103 1 1 17 LEU HD21 H -8.569 -3.140 4.119 1.00 . A A . 75 LEU HD21 1 1 6 2104 1 1 17 LEU HD22 H -9.787 -4.391 4.315 1.00 . A A . 75 LEU HD22 1 1 6 2105 1 1 17 LEU HD23 H -10.250 -2.694 4.406 1.00 . A A . 75 LEU HD23 1 1 6 2106 1 1 17 LEU HG H -9.587 -4.367 1.987 1.00 . A A . 75 LEU HG 1 1 6 2107 1 1 17 LEU N N -11.973 -5.446 1.640 1.00 . A A . 75 LEU N 1 1 6 2108 1 1 17 LEU O O -14.277 -3.664 3.530 1.00 . A A . 75 LEU O 1 1 6 2109 1 1 18 ARG C C -16.515 -4.606 1.826 1.00 . A A . 76 ARG C 1 1 6 2110 1 1 18 ARG CA C -15.642 -3.560 1.143 1.00 . A A . 76 ARG CA 1 1 6 2111 1 1 18 ARG CB C -16.006 -3.458 -0.340 1.00 . A A . 76 ARG CB 1 1 6 2112 1 1 18 ARG CD C -15.675 -2.131 -2.432 1.00 . A A . 76 ARG CD 1 1 6 2113 1 1 18 ARG CG C -15.384 -2.190 -0.932 1.00 . A A . 76 ARG CG 1 1 6 2114 1 1 18 ARG CZ C -15.230 -0.649 -4.304 1.00 . A A . 76 ARG CZ 1 1 6 2115 1 1 18 ARG H H -13.703 -4.123 0.501 1.00 . A A . 76 ARG H 1 1 6 2116 1 1 18 ARG HA H -15.818 -2.607 1.609 1.00 . A A . 76 ARG HA 1 1 6 2117 1 1 18 ARG HB2 H -15.626 -4.324 -0.861 1.00 . A A . 76 ARG HB2 1 1 6 2118 1 1 18 ARG HB3 H -17.079 -3.414 -0.446 1.00 . A A . 76 ARG HB3 1 1 6 2119 1 1 18 ARG HD2 H -15.235 -2.987 -2.918 1.00 . A A . 76 ARG HD2 1 1 6 2120 1 1 18 ARG HD3 H -16.745 -2.143 -2.588 1.00 . A A . 76 ARG HD3 1 1 6 2121 1 1 18 ARG HE H -14.644 -0.279 -2.426 1.00 . A A . 76 ARG HE 1 1 6 2122 1 1 18 ARG HG2 H -15.810 -1.323 -0.449 1.00 . A A . 76 ARG HG2 1 1 6 2123 1 1 18 ARG HG3 H -14.318 -2.202 -0.773 1.00 . A A . 76 ARG HG3 1 1 6 2124 1 1 18 ARG HH11 H -16.248 -2.324 -4.711 1.00 . A A . 76 ARG HH11 1 1 6 2125 1 1 18 ARG HH12 H -15.941 -1.285 -6.063 1.00 . A A . 76 ARG HH12 1 1 6 2126 1 1 18 ARG HH21 H -14.239 1.088 -4.195 1.00 . A A . 76 ARG HH21 1 1 6 2127 1 1 18 ARG HH22 H -14.804 0.646 -5.770 1.00 . A A . 76 ARG HH22 1 1 6 2128 1 1 18 ARG N N -14.235 -3.895 1.293 1.00 . A A . 76 ARG N 1 1 6 2129 1 1 18 ARG NE N -15.115 -0.913 -3.006 1.00 . A A . 76 ARG NE 1 1 6 2130 1 1 18 ARG NH1 N -15.854 -1.484 -5.087 1.00 . A A . 76 ARG NH1 1 1 6 2131 1 1 18 ARG NH2 N -14.717 0.448 -4.794 1.00 . A A . 76 ARG NH2 1 1 6 2132 1 1 18 ARG O O -17.520 -4.277 2.458 1.00 . A A . 76 ARG O 1 1 6 2133 1 1 19 CYS C C -16.915 -6.819 3.810 1.00 . A A . 77 CYS C 1 1 6 2134 1 1 19 CYS CA C -16.871 -6.964 2.292 1.00 . A A . 77 CYS CA 1 1 6 2135 1 1 19 CYS CB C -16.219 -8.296 1.922 1.00 . A A . 77 CYS CB 1 1 6 2136 1 1 19 CYS H H -15.316 -6.068 1.174 1.00 . A A . 77 CYS H 1 1 6 2137 1 1 19 CYS HA H -17.880 -6.952 1.910 1.00 . A A . 77 CYS HA 1 1 6 2138 1 1 19 CYS HB2 H -16.205 -8.403 0.841 1.00 . A A . 77 CYS HB2 1 1 6 2139 1 1 19 CYS HB3 H -15.205 -8.321 2.307 1.00 . A A . 77 CYS HB3 1 1 6 2140 1 1 19 CYS HG H -17.922 -9.266 3.112 1.00 . A A . 77 CYS HG 1 1 6 2141 1 1 19 CYS N N -16.123 -5.868 1.690 1.00 . A A . 77 CYS N 1 1 6 2142 1 1 19 CYS O O -17.975 -6.942 4.424 1.00 . A A . 77 CYS O 1 1 6 2143 1 1 19 CYS SG S -17.173 -9.650 2.648 1.00 . A A . 77 CYS SG 1 1 6 2144 1 1 20 SER C C -16.530 -5.234 6.327 1.00 . A A . 78 SER C 1 1 6 2145 1 1 20 SER CA C -15.674 -6.406 5.858 1.00 . A A . 78 SER CA 1 1 6 2146 1 1 20 SER CB C -14.222 -6.177 6.274 1.00 . A A . 78 SER CB 1 1 6 2147 1 1 20 SER H H -14.944 -6.476 3.868 1.00 . A A . 78 SER H 1 1 6 2148 1 1 20 SER HA H -16.031 -7.310 6.326 1.00 . A A . 78 SER HA 1 1 6 2149 1 1 20 SER HB2 H -13.621 -7.030 5.985 1.00 . A A . 78 SER HB2 1 1 6 2150 1 1 20 SER HB3 H -13.845 -5.281 5.786 1.00 . A A . 78 SER HB3 1 1 6 2151 1 1 20 SER HG H -13.453 -6.583 8.016 1.00 . A A . 78 SER HG 1 1 6 2152 1 1 20 SER N N -15.756 -6.561 4.409 1.00 . A A . 78 SER N 1 1 6 2153 1 1 20 SER O O -17.253 -5.340 7.317 1.00 . A A . 78 SER O 1 1 6 2154 1 1 20 SER OG O -14.159 -6.022 7.687 1.00 . A A . 78 SER OG 1 1 6 2155 1 1 21 MET C C -17.457 -2.057 4.735 1.00 . A A . 79 MET C 1 1 6 2156 1 1 21 MET CA C -17.214 -2.927 5.965 1.00 . A A . 79 MET CA 1 1 6 2157 1 1 21 MET CB C -16.467 -2.120 7.031 1.00 . A A . 79 MET CB 1 1 6 2158 1 1 21 MET CE C -12.742 -0.376 6.787 1.00 . A A . 79 MET CE 1 1 6 2159 1 1 21 MET CG C -15.120 -1.650 6.475 1.00 . A A . 79 MET CG 1 1 6 2160 1 1 21 MET H H -15.848 -4.090 4.833 1.00 . A A . 79 MET H 1 1 6 2161 1 1 21 MET HA H -18.169 -3.232 6.367 1.00 . A A . 79 MET HA 1 1 6 2162 1 1 21 MET HB2 H -17.062 -1.255 7.309 1.00 . A A . 79 MET HB2 1 1 6 2163 1 1 21 MET HB3 H -16.297 -2.745 7.902 1.00 . A A . 79 MET HB3 1 1 6 2164 1 1 21 MET HE1 H -12.054 -1.210 6.790 1.00 . A A . 79 MET HE1 1 1 6 2165 1 1 21 MET HE2 H -12.255 0.488 7.209 1.00 . A A . 79 MET HE2 1 1 6 2166 1 1 21 MET HE3 H -13.049 -0.158 5.773 1.00 . A A . 79 MET HE3 1 1 6 2167 1 1 21 MET HG2 H -14.553 -2.504 6.135 1.00 . A A . 79 MET HG2 1 1 6 2168 1 1 21 MET HG3 H -15.283 -0.975 5.650 1.00 . A A . 79 MET HG3 1 1 6 2169 1 1 21 MET N N -16.443 -4.117 5.611 1.00 . A A . 79 MET N 1 1 6 2170 1 1 21 MET O O -16.763 -2.187 3.726 1.00 . A A . 79 MET O 1 1 6 2171 1 1 21 MET SD S -14.198 -0.796 7.777 1.00 . A A . 79 MET SD 1 1 6 2172 1 1 22 ASP C C -17.964 1.007 3.804 1.00 . A A . 80 ASP C 1 1 6 2173 1 1 22 ASP CA C -18.776 -0.282 3.715 1.00 . A A . 80 ASP CA 1 1 6 2174 1 1 22 ASP CB C -20.269 0.053 3.744 1.00 . A A . 80 ASP CB 1 1 6 2175 1 1 22 ASP CG C -21.087 -1.160 3.317 1.00 . A A . 80 ASP CG 1 1 6 2176 1 1 22 ASP H H -18.962 -1.115 5.656 1.00 . A A . 80 ASP H 1 1 6 2177 1 1 22 ASP HA H -18.549 -0.775 2.780 1.00 . A A . 80 ASP HA 1 1 6 2178 1 1 22 ASP HB2 H -20.551 0.340 4.747 1.00 . A A . 80 ASP HB2 1 1 6 2179 1 1 22 ASP HB3 H -20.466 0.872 3.070 1.00 . A A . 80 ASP HB3 1 1 6 2180 1 1 22 ASP N N -18.445 -1.172 4.826 1.00 . A A . 80 ASP N 1 1 6 2181 1 1 22 ASP O O -16.842 1.012 3.325 1.00 . A A . 80 ASP O 1 1 6 2182 1 1 22 ASP OXT O -18.477 1.971 4.349 1.00 . A A . 80 ASP OXT 1 1 6 2183 1 1 22 ASP OD1 O -20.497 -2.098 2.802 1.00 . A A . 80 ASP OD1 1 1 6 2184 1 1 22 ASP OD2 O -22.291 -1.137 3.510 1.00 . A A . 80 ASP OD2 1 1 7 2185 1 1 1 ASP C C -0.054 -6.182 3.497 1.00 . A A . 59 ASP C 1 1 7 2186 1 1 1 ASP CA C -0.613 -4.781 3.723 1.00 . A A . 59 ASP CA 1 1 7 2187 1 1 1 ASP CB C 0.532 -3.781 3.885 1.00 . A A . 59 ASP CB 1 1 7 2188 1 1 1 ASP CG C -0.028 -2.392 4.175 1.00 . A A . 59 ASP CG 1 1 7 2189 1 1 1 ASP H1 H -1.939 -5.690 5.047 1.00 . A A . 59 ASP H1 1 1 7 2190 1 1 1 ASP H2 H -2.153 -4.013 4.893 1.00 . A A . 59 ASP H2 1 1 7 2191 1 1 1 ASP H3 H -0.844 -4.626 5.787 1.00 . A A . 59 ASP H3 1 1 7 2192 1 1 1 ASP HA H -1.220 -4.497 2.877 1.00 . A A . 59 ASP HA 1 1 7 2193 1 1 1 ASP HB2 H 1.165 -4.090 4.710 1.00 . A A . 59 ASP HB2 1 1 7 2194 1 1 1 ASP HB3 H 1.114 -3.749 2.969 1.00 . A A . 59 ASP HB3 1 1 7 2195 1 1 1 ASP N N -1.451 -4.778 4.955 1.00 . A A . 59 ASP N 1 1 7 2196 1 1 1 ASP O O 1.078 -6.478 3.880 1.00 . A A . 59 ASP O 1 1 7 2197 1 1 1 ASP OD1 O -0.938 -1.984 3.469 1.00 . A A . 59 ASP OD1 1 1 7 2198 1 1 1 ASP OD2 O 0.461 -1.757 5.094 1.00 . A A . 59 ASP OD2 1 1 7 2199 1 1 2 THR C C 0.410 -8.463 1.327 1.00 . A A . 60 THR C 1 1 7 2200 1 1 2 THR CA C -0.431 -8.408 2.596 1.00 . A A . 60 THR CA 1 1 7 2201 1 1 2 THR CB C -1.658 -9.310 2.436 1.00 . A A . 60 THR CB 1 1 7 2202 1 1 2 THR CG2 C -2.526 -9.222 3.691 1.00 . A A . 60 THR CG2 1 1 7 2203 1 1 2 THR H H -1.743 -6.748 2.588 1.00 . A A . 60 THR H 1 1 7 2204 1 1 2 THR HA H 0.161 -8.769 3.421 1.00 . A A . 60 THR HA 1 1 7 2205 1 1 2 THR HB H -1.338 -10.331 2.294 1.00 . A A . 60 THR HB 1 1 7 2206 1 1 2 THR HG1 H -3.309 -8.718 1.596 1.00 . A A . 60 THR HG1 1 1 7 2207 1 1 2 THR HG21 H -3.021 -8.263 3.721 1.00 . A A . 60 THR HG21 1 1 7 2208 1 1 2 THR HG22 H -1.903 -9.333 4.568 1.00 . A A . 60 THR HG22 1 1 7 2209 1 1 2 THR HG23 H -3.265 -10.009 3.674 1.00 . A A . 60 THR HG23 1 1 7 2210 1 1 2 THR N N -0.854 -7.041 2.871 1.00 . A A . 60 THR N 1 1 7 2211 1 1 2 THR O O 0.421 -7.520 0.536 1.00 . A A . 60 THR O 1 1 7 2212 1 1 2 THR OG1 O -2.409 -8.888 1.307 1.00 . A A . 60 THR OG1 1 1 7 2213 1 1 3 LEU C C 1.084 -9.741 -1.293 1.00 . A A . 61 LEU C 1 1 7 2214 1 1 3 LEU CA C 1.949 -9.742 -0.038 1.00 . A A . 61 LEU CA 1 1 7 2215 1 1 3 LEU CB C 2.722 -11.060 0.049 1.00 . A A . 61 LEU CB 1 1 7 2216 1 1 3 LEU CD1 C 4.369 -12.383 1.383 1.00 . A A . 61 LEU CD1 1 1 7 2217 1 1 3 LEU CD2 C 4.894 -9.993 0.798 1.00 . A A . 61 LEU CD2 1 1 7 2218 1 1 3 LEU CG C 3.771 -10.988 1.170 1.00 . A A . 61 LEU CG 1 1 7 2219 1 1 3 LEU H H 1.057 -10.292 1.803 1.00 . A A . 61 LEU H 1 1 7 2220 1 1 3 LEU HA H 2.647 -8.921 -0.095 1.00 . A A . 61 LEU HA 1 1 7 2221 1 1 3 LEU HB2 H 2.031 -11.864 0.260 1.00 . A A . 61 LEU HB2 1 1 7 2222 1 1 3 LEU HB3 H 3.212 -11.252 -0.893 1.00 . A A . 61 LEU HB3 1 1 7 2223 1 1 3 LEU HD11 H 3.599 -13.055 1.729 1.00 . A A . 61 LEU HD11 1 1 7 2224 1 1 3 LEU HD12 H 5.155 -12.328 2.120 1.00 . A A . 61 LEU HD12 1 1 7 2225 1 1 3 LEU HD13 H 4.775 -12.747 0.450 1.00 . A A . 61 LEU HD13 1 1 7 2226 1 1 3 LEU HD21 H 5.060 -10.004 -0.268 1.00 . A A . 61 LEU HD21 1 1 7 2227 1 1 3 LEU HD22 H 5.809 -10.270 1.305 1.00 . A A . 61 LEU HD22 1 1 7 2228 1 1 3 LEU HD23 H 4.608 -9.000 1.106 1.00 . A A . 61 LEU HD23 1 1 7 2229 1 1 3 LEU HG H 3.292 -10.664 2.083 1.00 . A A . 61 LEU HG 1 1 7 2230 1 1 3 LEU N N 1.109 -9.574 1.141 1.00 . A A . 61 LEU N 1 1 7 2231 1 1 3 LEU O O 1.450 -9.156 -2.311 1.00 . A A . 61 LEU O 1 1 7 2232 1 1 4 LEU C C -1.491 -9.047 -2.667 1.00 . A A . 62 LEU C 1 1 7 2233 1 1 4 LEU CA C -0.982 -10.443 -2.343 1.00 . A A . 62 LEU CA 1 1 7 2234 1 1 4 LEU CB C -2.160 -11.365 -2.023 1.00 . A A . 62 LEU CB 1 1 7 2235 1 1 4 LEU CD1 C -2.419 -11.962 -4.463 1.00 . A A . 62 LEU CD1 1 1 7 2236 1 1 4 LEU CD2 C -4.297 -12.351 -2.850 1.00 . A A . 62 LEU CD2 1 1 7 2237 1 1 4 LEU CG C -3.133 -11.423 -3.211 1.00 . A A . 62 LEU CG 1 1 7 2238 1 1 4 LEU H H -0.317 -10.831 -0.369 1.00 . A A . 62 LEU H 1 1 7 2239 1 1 4 LEU HA H -0.451 -10.831 -3.196 1.00 . A A . 62 LEU HA 1 1 7 2240 1 1 4 LEU HB2 H -1.789 -12.357 -1.815 1.00 . A A . 62 LEU HB2 1 1 7 2241 1 1 4 LEU HB3 H -2.679 -10.987 -1.157 1.00 . A A . 62 LEU HB3 1 1 7 2242 1 1 4 LEU HD11 H -1.701 -12.716 -4.178 1.00 . A A . 62 LEU HD11 1 1 7 2243 1 1 4 LEU HD12 H -1.912 -11.151 -4.960 1.00 . A A . 62 LEU HD12 1 1 7 2244 1 1 4 LEU HD13 H -3.143 -12.393 -5.140 1.00 . A A . 62 LEU HD13 1 1 7 2245 1 1 4 LEU HD21 H -4.653 -12.114 -1.859 1.00 . A A . 62 LEU HD21 1 1 7 2246 1 1 4 LEU HD22 H -3.958 -13.377 -2.873 1.00 . A A . 62 LEU HD22 1 1 7 2247 1 1 4 LEU HD23 H -5.096 -12.221 -3.564 1.00 . A A . 62 LEU HD23 1 1 7 2248 1 1 4 LEU HG H -3.515 -10.434 -3.417 1.00 . A A . 62 LEU HG 1 1 7 2249 1 1 4 LEU N N -0.071 -10.390 -1.210 1.00 . A A . 62 LEU N 1 1 7 2250 1 1 4 LEU O O -1.561 -8.653 -3.833 1.00 . A A . 62 LEU O 1 1 7 2251 1 1 5 GLY C C -1.270 -6.111 -2.514 1.00 . A A . 63 GLY C 1 1 7 2252 1 1 5 GLY CA C -2.333 -6.940 -1.819 1.00 . A A . 63 GLY CA 1 1 7 2253 1 1 5 GLY H H -1.762 -8.654 -0.721 1.00 . A A . 63 GLY H 1 1 7 2254 1 1 5 GLY HA2 H -3.230 -6.968 -2.431 1.00 . A A . 63 GLY HA2 1 1 7 2255 1 1 5 GLY HA3 H -2.557 -6.498 -0.854 1.00 . A A . 63 GLY HA3 1 1 7 2256 1 1 5 GLY N N -1.841 -8.294 -1.628 1.00 . A A . 63 GLY N 1 1 7 2257 1 1 5 GLY O O -1.565 -5.082 -3.123 1.00 . A A . 63 GLY O 1 1 7 2258 1 1 6 ARG C C 1.071 -6.147 -4.560 1.00 . A A . 64 ARG C 1 1 7 2259 1 1 6 ARG CA C 1.082 -5.880 -3.057 1.00 . A A . 64 ARG CA 1 1 7 2260 1 1 6 ARG CB C 2.414 -6.342 -2.446 1.00 . A A . 64 ARG CB 1 1 7 2261 1 1 6 ARG CD C 4.778 -5.690 -1.949 1.00 . A A . 64 ARG CD 1 1 7 2262 1 1 6 ARG CG C 3.503 -5.289 -2.693 1.00 . A A . 64 ARG CG 1 1 7 2263 1 1 6 ARG CZ C 5.474 -6.130 0.335 1.00 . A A . 64 ARG CZ 1 1 7 2264 1 1 6 ARG H H 0.143 -7.406 -1.933 1.00 . A A . 64 ARG H 1 1 7 2265 1 1 6 ARG HA H 0.962 -4.826 -2.888 1.00 . A A . 64 ARG HA 1 1 7 2266 1 1 6 ARG HB2 H 2.290 -6.483 -1.383 1.00 . A A . 64 ARG HB2 1 1 7 2267 1 1 6 ARG HB3 H 2.716 -7.275 -2.898 1.00 . A A . 64 ARG HB3 1 1 7 2268 1 1 6 ARG HD2 H 5.087 -6.672 -2.273 1.00 . A A . 64 ARG HD2 1 1 7 2269 1 1 6 ARG HD3 H 5.561 -4.979 -2.172 1.00 . A A . 64 ARG HD3 1 1 7 2270 1 1 6 ARG HE H 3.670 -5.417 -0.163 1.00 . A A . 64 ARG HE 1 1 7 2271 1 1 6 ARG HG2 H 3.709 -5.223 -3.751 1.00 . A A . 64 ARG HG2 1 1 7 2272 1 1 6 ARG HG3 H 3.168 -4.329 -2.331 1.00 . A A . 64 ARG HG3 1 1 7 2273 1 1 6 ARG HH11 H 6.815 -6.517 -1.099 1.00 . A A . 64 ARG HH11 1 1 7 2274 1 1 6 ARG HH12 H 7.336 -6.840 0.521 1.00 . A A . 64 ARG HH12 1 1 7 2275 1 1 6 ARG HH21 H 4.348 -5.837 1.965 1.00 . A A . 64 ARG HH21 1 1 7 2276 1 1 6 ARG HH22 H 5.939 -6.454 2.255 1.00 . A A . 64 ARG HH22 1 1 7 2277 1 1 6 ARG N N -0.027 -6.575 -2.424 1.00 . A A . 64 ARG N 1 1 7 2278 1 1 6 ARG NE N 4.539 -5.713 -0.511 1.00 . A A . 64 ARG NE 1 1 7 2279 1 1 6 ARG NH1 N 6.632 -6.527 -0.116 1.00 . A A . 64 ARG NH1 1 1 7 2280 1 1 6 ARG NH2 N 5.235 -6.140 1.618 1.00 . A A . 64 ARG NH2 1 1 7 2281 1 1 6 ARG O O 2.101 -6.057 -5.229 1.00 . A A . 64 ARG O 1 1 7 2282 1 1 7 MET C C -1.679 -6.433 -6.982 1.00 . A A . 65 MET C 1 1 7 2283 1 1 7 MET CA C -0.254 -6.744 -6.518 1.00 . A A . 65 MET CA 1 1 7 2284 1 1 7 MET CB C 0.083 -8.205 -6.819 1.00 . A A . 65 MET CB 1 1 7 2285 1 1 7 MET CE C -0.794 -11.039 -7.979 1.00 . A A . 65 MET CE 1 1 7 2286 1 1 7 MET CG C -0.017 -8.447 -8.328 1.00 . A A . 65 MET CG 1 1 7 2287 1 1 7 MET H H -0.895 -6.527 -4.502 1.00 . A A . 65 MET H 1 1 7 2288 1 1 7 MET HA H 0.429 -6.112 -7.063 1.00 . A A . 65 MET HA 1 1 7 2289 1 1 7 MET HB2 H 1.088 -8.420 -6.484 1.00 . A A . 65 MET HB2 1 1 7 2290 1 1 7 MET HB3 H -0.613 -8.851 -6.306 1.00 . A A . 65 MET HB3 1 1 7 2291 1 1 7 MET HE1 H -0.836 -12.028 -8.416 1.00 . A A . 65 MET HE1 1 1 7 2292 1 1 7 MET HE2 H -1.723 -10.527 -8.167 1.00 . A A . 65 MET HE2 1 1 7 2293 1 1 7 MET HE3 H -0.638 -11.119 -6.914 1.00 . A A . 65 MET HE3 1 1 7 2294 1 1 7 MET HG2 H -1.050 -8.349 -8.643 1.00 . A A . 65 MET HG2 1 1 7 2295 1 1 7 MET HG3 H 0.596 -7.718 -8.849 1.00 . A A . 65 MET HG3 1 1 7 2296 1 1 7 MET N N -0.110 -6.470 -5.087 1.00 . A A . 65 MET N 1 1 7 2297 1 1 7 MET O O -1.880 -5.918 -8.082 1.00 . A A . 65 MET O 1 1 7 2298 1 1 7 MET SD S 0.576 -10.115 -8.717 1.00 . A A . 65 MET SD 1 1 7 2299 1 1 8 LEU C C -4.712 -5.682 -5.300 1.00 . A A . 66 LEU C 1 1 7 2300 1 1 8 LEU CA C -4.066 -6.446 -6.449 1.00 . A A . 66 LEU CA 1 1 7 2301 1 1 8 LEU CB C -4.820 -7.761 -6.668 1.00 . A A . 66 LEU CB 1 1 7 2302 1 1 8 LEU CD1 C -4.835 -9.939 -7.890 1.00 . A A . 66 LEU CD1 1 1 7 2303 1 1 8 LEU CD2 C -4.342 -7.823 -9.141 1.00 . A A . 66 LEU CD2 1 1 7 2304 1 1 8 LEU CG C -4.170 -8.563 -7.803 1.00 . A A . 66 LEU CG 1 1 7 2305 1 1 8 LEU H H -2.447 -7.118 -5.261 1.00 . A A . 66 LEU H 1 1 7 2306 1 1 8 LEU HA H -4.137 -5.847 -7.344 1.00 . A A . 66 LEU HA 1 1 7 2307 1 1 8 LEU HB2 H -4.792 -8.343 -5.757 1.00 . A A . 66 LEU HB2 1 1 7 2308 1 1 8 LEU HB3 H -5.846 -7.549 -6.921 1.00 . A A . 66 LEU HB3 1 1 7 2309 1 1 8 LEU HD11 H -4.395 -10.502 -8.699 1.00 . A A . 66 LEU HD11 1 1 7 2310 1 1 8 LEU HD12 H -5.892 -9.819 -8.070 1.00 . A A . 66 LEU HD12 1 1 7 2311 1 1 8 LEU HD13 H -4.686 -10.470 -6.960 1.00 . A A . 66 LEU HD13 1 1 7 2312 1 1 8 LEU HD21 H -4.243 -8.524 -9.959 1.00 . A A . 66 LEU HD21 1 1 7 2313 1 1 8 LEU HD22 H -3.584 -7.062 -9.234 1.00 . A A . 66 LEU HD22 1 1 7 2314 1 1 8 LEU HD23 H -5.321 -7.365 -9.182 1.00 . A A . 66 LEU HD23 1 1 7 2315 1 1 8 LEU HG H -3.117 -8.688 -7.592 1.00 . A A . 66 LEU HG 1 1 7 2316 1 1 8 LEU N N -2.665 -6.723 -6.130 1.00 . A A . 66 LEU N 1 1 7 2317 1 1 8 LEU O O -5.703 -6.130 -4.722 1.00 . A A . 66 LEU O 1 1 7 2318 1 1 9 PRO C C -6.037 -3.040 -4.246 1.00 . A A . 67 PRO C 1 1 7 2319 1 1 9 PRO CA C -4.707 -3.687 -3.866 1.00 . A A . 67 PRO CA 1 1 7 2320 1 1 9 PRO CB C -3.605 -2.638 -3.652 1.00 . A A . 67 PRO CB 1 1 7 2321 1 1 9 PRO CD C -2.984 -3.926 -5.594 1.00 . A A . 67 PRO CD 1 1 7 2322 1 1 9 PRO CG C -2.932 -2.526 -4.983 1.00 . A A . 67 PRO CG 1 1 7 2323 1 1 9 PRO HA H -4.823 -4.278 -2.975 1.00 . A A . 67 PRO HA 1 1 7 2324 1 1 9 PRO HB2 H -4.038 -1.683 -3.357 1.00 . A A . 67 PRO HB2 1 1 7 2325 1 1 9 PRO HB3 H -2.897 -2.983 -2.905 1.00 . A A . 67 PRO HB3 1 1 7 2326 1 1 9 PRO HD2 H -3.102 -3.871 -6.669 1.00 . A A . 67 PRO HD2 1 1 7 2327 1 1 9 PRO HD3 H -2.098 -4.485 -5.337 1.00 . A A . 67 PRO HD3 1 1 7 2328 1 1 9 PRO HG2 H -3.469 -1.819 -5.613 1.00 . A A . 67 PRO HG2 1 1 7 2329 1 1 9 PRO HG3 H -1.898 -2.216 -4.859 1.00 . A A . 67 PRO HG3 1 1 7 2330 1 1 9 PRO N N -4.170 -4.537 -4.966 1.00 . A A . 67 PRO N 1 1 7 2331 1 1 9 PRO O O -6.819 -2.647 -3.381 1.00 . A A . 67 PRO O 1 1 7 2332 1 1 10 GLN C C -8.451 -3.426 -6.577 1.00 . A A . 68 GLN C 1 1 7 2333 1 1 10 GLN CA C -7.527 -2.342 -6.048 1.00 . A A . 68 GLN CA 1 1 7 2334 1 1 10 GLN CB C -7.230 -1.342 -7.168 1.00 . A A . 68 GLN CB 1 1 7 2335 1 1 10 GLN CD C -6.960 0.519 -5.505 1.00 . A A . 68 GLN CD 1 1 7 2336 1 1 10 GLN CG C -6.300 -0.237 -6.654 1.00 . A A . 68 GLN CG 1 1 7 2337 1 1 10 GLN H H -5.622 -3.270 -6.191 1.00 . A A . 68 GLN H 1 1 7 2338 1 1 10 GLN HA H -8.030 -1.822 -5.243 1.00 . A A . 68 GLN HA 1 1 7 2339 1 1 10 GLN HB2 H -6.754 -1.860 -7.993 1.00 . A A . 68 GLN HB2 1 1 7 2340 1 1 10 GLN HB3 H -8.162 -0.897 -7.499 1.00 . A A . 68 GLN HB3 1 1 7 2341 1 1 10 GLN HE21 H -5.485 0.139 -4.222 1.00 . A A . 68 GLN HE21 1 1 7 2342 1 1 10 GLN HE22 H -6.783 1.069 -3.600 1.00 . A A . 68 GLN HE22 1 1 7 2343 1 1 10 GLN HG2 H -5.378 -0.679 -6.309 1.00 . A A . 68 GLN HG2 1 1 7 2344 1 1 10 GLN HG3 H -6.087 0.451 -7.458 1.00 . A A . 68 GLN HG3 1 1 7 2345 1 1 10 GLN N N -6.285 -2.936 -5.549 1.00 . A A . 68 GLN N 1 1 7 2346 1 1 10 GLN NE2 N -6.359 0.580 -4.347 1.00 . A A . 68 GLN NE2 1 1 7 2347 1 1 10 GLN O O -9.074 -3.270 -7.629 1.00 . A A . 68 GLN O 1 1 7 2348 1 1 10 GLN OE1 O -8.050 1.068 -5.666 1.00 . A A . 68 GLN OE1 1 1 7 2349 1 1 11 LEU C C -9.521 -6.643 -5.105 1.00 . A A . 69 LEU C 1 1 7 2350 1 1 11 LEU CA C -9.389 -5.634 -6.244 1.00 . A A . 69 LEU CA 1 1 7 2351 1 1 11 LEU CB C -8.808 -6.315 -7.500 1.00 . A A . 69 LEU CB 1 1 7 2352 1 1 11 LEU CD1 C -9.342 -7.461 -9.658 1.00 . A A . 69 LEU CD1 1 1 7 2353 1 1 11 LEU CD2 C -10.596 -8.065 -7.582 1.00 . A A . 69 LEU CD2 1 1 7 2354 1 1 11 LEU CG C -9.932 -6.922 -8.353 1.00 . A A . 69 LEU CG 1 1 7 2355 1 1 11 LEU H H -8.010 -4.595 -5.017 1.00 . A A . 69 LEU H 1 1 7 2356 1 1 11 LEU HA H -10.371 -5.243 -6.473 1.00 . A A . 69 LEU HA 1 1 7 2357 1 1 11 LEU HB2 H -8.277 -5.578 -8.086 1.00 . A A . 69 LEU HB2 1 1 7 2358 1 1 11 LEU HB3 H -8.121 -7.095 -7.208 1.00 . A A . 69 LEU HB3 1 1 7 2359 1 1 11 LEU HD11 H -8.586 -8.199 -9.434 1.00 . A A . 69 LEU HD11 1 1 7 2360 1 1 11 LEU HD12 H -8.898 -6.649 -10.215 1.00 . A A . 69 LEU HD12 1 1 7 2361 1 1 11 LEU HD13 H -10.126 -7.915 -10.246 1.00 . A A . 69 LEU HD13 1 1 7 2362 1 1 11 LEU HD21 H -11.199 -8.653 -8.261 1.00 . A A . 69 LEU HD21 1 1 7 2363 1 1 11 LEU HD22 H -11.224 -7.657 -6.805 1.00 . A A . 69 LEU HD22 1 1 7 2364 1 1 11 LEU HD23 H -9.837 -8.692 -7.139 1.00 . A A . 69 LEU HD23 1 1 7 2365 1 1 11 LEU HG H -10.664 -6.162 -8.581 1.00 . A A . 69 LEU HG 1 1 7 2366 1 1 11 LEU N N -8.536 -4.525 -5.842 1.00 . A A . 69 LEU N 1 1 7 2367 1 1 11 LEU O O -10.589 -6.765 -4.507 1.00 . A A . 69 LEU O 1 1 7 2368 1 1 12 VAL C C -8.764 -7.594 -2.387 1.00 . A A . 70 VAL C 1 1 7 2369 1 1 12 VAL CA C -8.514 -8.323 -3.699 1.00 . A A . 70 VAL CA 1 1 7 2370 1 1 12 VAL CB C -7.209 -9.114 -3.609 1.00 . A A . 70 VAL CB 1 1 7 2371 1 1 12 VAL CG1 C -7.216 -9.968 -2.335 1.00 . A A . 70 VAL CG1 1 1 7 2372 1 1 12 VAL CG2 C -7.089 -10.025 -4.833 1.00 . A A . 70 VAL CG2 1 1 7 2373 1 1 12 VAL H H -7.602 -7.226 -5.276 1.00 . A A . 70 VAL H 1 1 7 2374 1 1 12 VAL HA H -9.330 -9.007 -3.885 1.00 . A A . 70 VAL HA 1 1 7 2375 1 1 12 VAL HB H -6.374 -8.428 -3.582 1.00 . A A . 70 VAL HB 1 1 7 2376 1 1 12 VAL HG11 H -8.174 -10.460 -2.238 1.00 . A A . 70 VAL HG11 1 1 7 2377 1 1 12 VAL HG12 H -7.051 -9.334 -1.476 1.00 . A A . 70 VAL HG12 1 1 7 2378 1 1 12 VAL HG13 H -6.435 -10.709 -2.393 1.00 . A A . 70 VAL HG13 1 1 7 2379 1 1 12 VAL HG21 H -7.852 -10.787 -4.792 1.00 . A A . 70 VAL HG21 1 1 7 2380 1 1 12 VAL HG22 H -6.115 -10.492 -4.841 1.00 . A A . 70 VAL HG22 1 1 7 2381 1 1 12 VAL HG23 H -7.213 -9.439 -5.732 1.00 . A A . 70 VAL HG23 1 1 7 2382 1 1 12 VAL N N -8.445 -7.359 -4.789 1.00 . A A . 70 VAL N 1 1 7 2383 1 1 12 VAL O O -9.681 -7.924 -1.639 1.00 . A A . 70 VAL O 1 1 7 2384 1 1 13 CYS C C -9.371 -4.977 -1.014 1.00 . A A . 71 CYS C 1 1 7 2385 1 1 13 CYS CA C -8.087 -5.780 -0.935 1.00 . A A . 71 CYS CA 1 1 7 2386 1 1 13 CYS CB C -6.898 -4.834 -0.785 1.00 . A A . 71 CYS CB 1 1 7 2387 1 1 13 CYS H H -7.249 -6.358 -2.777 1.00 . A A . 71 CYS H 1 1 7 2388 1 1 13 CYS HA H -8.125 -6.431 -0.079 1.00 . A A . 71 CYS HA 1 1 7 2389 1 1 13 CYS HB2 H -6.750 -4.295 -1.711 1.00 . A A . 71 CYS HB2 1 1 7 2390 1 1 13 CYS HB3 H -7.096 -4.134 0.021 1.00 . A A . 71 CYS HB3 1 1 7 2391 1 1 13 CYS HG H -5.569 -6.699 -0.674 1.00 . A A . 71 CYS HG 1 1 7 2392 1 1 13 CYS N N -7.948 -6.580 -2.135 1.00 . A A . 71 CYS N 1 1 7 2393 1 1 13 CYS O O -10.065 -4.786 -0.018 1.00 . A A . 71 CYS O 1 1 7 2394 1 1 13 CYS SG S -5.414 -5.793 -0.397 1.00 . A A . 71 CYS SG 1 1 7 2395 1 1 14 ARG C C -12.118 -4.485 -2.048 1.00 . A A . 72 ARG C 1 1 7 2396 1 1 14 ARG CA C -10.865 -3.692 -2.418 1.00 . A A . 72 ARG CA 1 1 7 2397 1 1 14 ARG CB C -10.944 -3.251 -3.886 1.00 . A A . 72 ARG CB 1 1 7 2398 1 1 14 ARG CD C -11.966 -0.998 -3.355 1.00 . A A . 72 ARG CD 1 1 7 2399 1 1 14 ARG CG C -12.153 -2.325 -4.110 1.00 . A A . 72 ARG CG 1 1 7 2400 1 1 14 ARG CZ C -12.344 -0.109 -1.128 1.00 . A A . 72 ARG CZ 1 1 7 2401 1 1 14 ARG H H -9.074 -4.672 -2.969 1.00 . A A . 72 ARG H 1 1 7 2402 1 1 14 ARG HA H -10.799 -2.824 -1.798 1.00 . A A . 72 ARG HA 1 1 7 2403 1 1 14 ARG HB2 H -10.038 -2.728 -4.149 1.00 . A A . 72 ARG HB2 1 1 7 2404 1 1 14 ARG HB3 H -11.045 -4.123 -4.514 1.00 . A A . 72 ARG HB3 1 1 7 2405 1 1 14 ARG HD2 H -10.921 -0.729 -3.343 1.00 . A A . 72 ARG HD2 1 1 7 2406 1 1 14 ARG HD3 H -12.523 -0.221 -3.859 1.00 . A A . 72 ARG HD3 1 1 7 2407 1 1 14 ARG HE H -12.848 -1.964 -1.686 1.00 . A A . 72 ARG HE 1 1 7 2408 1 1 14 ARG HG2 H -12.251 -2.122 -5.168 1.00 . A A . 72 ARG HG2 1 1 7 2409 1 1 14 ARG HG3 H -13.053 -2.809 -3.761 1.00 . A A . 72 ARG HG3 1 1 7 2410 1 1 14 ARG HH11 H -11.479 1.121 -2.449 1.00 . A A . 72 ARG HH11 1 1 7 2411 1 1 14 ARG HH12 H -11.732 1.779 -0.867 1.00 . A A . 72 ARG HH12 1 1 7 2412 1 1 14 ARG HH21 H -13.182 -1.107 0.392 1.00 . A A . 72 ARG HH21 1 1 7 2413 1 1 14 ARG HH22 H -12.697 0.518 0.740 1.00 . A A . 72 ARG HH22 1 1 7 2414 1 1 14 ARG N N -9.673 -4.495 -2.215 1.00 . A A . 72 ARG N 1 1 7 2415 1 1 14 ARG NE N -12.446 -1.121 -1.982 1.00 . A A . 72 ARG NE 1 1 7 2416 1 1 14 ARG NH1 N -11.809 1.018 -1.510 1.00 . A A . 72 ARG NH1 1 1 7 2417 1 1 14 ARG NH2 N -12.774 -0.244 0.098 1.00 . A A . 72 ARG NH2 1 1 7 2418 1 1 14 ARG O O -12.967 -4.001 -1.300 1.00 . A A . 72 ARG O 1 1 7 2419 1 1 15 LEU C C -13.377 -6.946 -0.800 1.00 . A A . 73 LEU C 1 1 7 2420 1 1 15 LEU CA C -13.378 -6.545 -2.268 1.00 . A A . 73 LEU CA 1 1 7 2421 1 1 15 LEU CB C -13.349 -7.803 -3.141 1.00 . A A . 73 LEU CB 1 1 7 2422 1 1 15 LEU CD1 C -13.348 -8.670 -5.483 1.00 . A A . 73 LEU CD1 1 1 7 2423 1 1 15 LEU CD2 C -15.051 -6.945 -4.811 1.00 . A A . 73 LEU CD2 1 1 7 2424 1 1 15 LEU CG C -13.598 -7.435 -4.610 1.00 . A A . 73 LEU CG 1 1 7 2425 1 1 15 LEU H H -11.515 -6.042 -3.147 1.00 . A A . 73 LEU H 1 1 7 2426 1 1 15 LEU HA H -14.280 -5.993 -2.477 1.00 . A A . 73 LEU HA 1 1 7 2427 1 1 15 LEU HB2 H -12.374 -8.275 -3.051 1.00 . A A . 73 LEU HB2 1 1 7 2428 1 1 15 LEU HB3 H -14.118 -8.492 -2.806 1.00 . A A . 73 LEU HB3 1 1 7 2429 1 1 15 LEU HD11 H -14.077 -9.431 -5.248 1.00 . A A . 73 LEU HD11 1 1 7 2430 1 1 15 LEU HD12 H -12.355 -9.051 -5.291 1.00 . A A . 73 LEU HD12 1 1 7 2431 1 1 15 LEU HD13 H -13.434 -8.399 -6.524 1.00 . A A . 73 LEU HD13 1 1 7 2432 1 1 15 LEU HD21 H -15.711 -7.459 -4.128 1.00 . A A . 73 LEU HD21 1 1 7 2433 1 1 15 LEU HD22 H -15.365 -7.138 -5.826 1.00 . A A . 73 LEU HD22 1 1 7 2434 1 1 15 LEU HD23 H -15.098 -5.882 -4.625 1.00 . A A . 73 LEU HD23 1 1 7 2435 1 1 15 LEU HG H -12.912 -6.651 -4.902 1.00 . A A . 73 LEU HG 1 1 7 2436 1 1 15 LEU N N -12.225 -5.703 -2.565 1.00 . A A . 73 LEU N 1 1 7 2437 1 1 15 LEU O O -14.418 -6.949 -0.142 1.00 . A A . 73 LEU O 1 1 7 2438 1 1 16 VAL C C -12.390 -6.557 2.047 1.00 . A A . 74 VAL C 1 1 7 2439 1 1 16 VAL CA C -12.052 -7.697 1.092 1.00 . A A . 74 VAL CA 1 1 7 2440 1 1 16 VAL CB C -10.618 -8.182 1.324 1.00 . A A . 74 VAL CB 1 1 7 2441 1 1 16 VAL CG1 C -10.365 -8.369 2.826 1.00 . A A . 74 VAL CG1 1 1 7 2442 1 1 16 VAL CG2 C -10.419 -9.527 0.611 1.00 . A A . 74 VAL CG2 1 1 7 2443 1 1 16 VAL H H -11.406 -7.267 -0.876 1.00 . A A . 74 VAL H 1 1 7 2444 1 1 16 VAL HA H -12.726 -8.519 1.283 1.00 . A A . 74 VAL HA 1 1 7 2445 1 1 16 VAL HB H -9.925 -7.453 0.920 1.00 . A A . 74 VAL HB 1 1 7 2446 1 1 16 VAL HG11 H -9.461 -8.941 2.972 1.00 . A A . 74 VAL HG11 1 1 7 2447 1 1 16 VAL HG12 H -11.200 -8.896 3.267 1.00 . A A . 74 VAL HG12 1 1 7 2448 1 1 16 VAL HG13 H -10.263 -7.403 3.298 1.00 . A A . 74 VAL HG13 1 1 7 2449 1 1 16 VAL HG21 H -9.362 -9.731 0.513 1.00 . A A . 74 VAL HG21 1 1 7 2450 1 1 16 VAL HG22 H -10.870 -9.488 -0.371 1.00 . A A . 74 VAL HG22 1 1 7 2451 1 1 16 VAL HG23 H -10.885 -10.313 1.186 1.00 . A A . 74 VAL HG23 1 1 7 2452 1 1 16 VAL N N -12.197 -7.288 -0.298 1.00 . A A . 74 VAL N 1 1 7 2453 1 1 16 VAL O O -13.160 -6.739 2.991 1.00 . A A . 74 VAL O 1 1 7 2454 1 1 17 LEU C C -13.571 -3.884 2.587 1.00 . A A . 75 LEU C 1 1 7 2455 1 1 17 LEU CA C -12.094 -4.237 2.661 1.00 . A A . 75 LEU CA 1 1 7 2456 1 1 17 LEU CB C -11.248 -3.034 2.232 1.00 . A A . 75 LEU CB 1 1 7 2457 1 1 17 LEU CD1 C -8.922 -2.185 1.906 1.00 . A A . 75 LEU CD1 1 1 7 2458 1 1 17 LEU CD2 C -9.543 -3.253 4.095 1.00 . A A . 75 LEU CD2 1 1 7 2459 1 1 17 LEU CG C -9.768 -3.277 2.566 1.00 . A A . 75 LEU CG 1 1 7 2460 1 1 17 LEU H H -11.217 -5.283 1.036 1.00 . A A . 75 LEU H 1 1 7 2461 1 1 17 LEU HA H -11.850 -4.496 3.678 1.00 . A A . 75 LEU HA 1 1 7 2462 1 1 17 LEU HB2 H -11.352 -2.890 1.161 1.00 . A A . 75 LEU HB2 1 1 7 2463 1 1 17 LEU HB3 H -11.596 -2.147 2.752 1.00 . A A . 75 LEU HB3 1 1 7 2464 1 1 17 LEU HD11 H -9.129 -2.161 0.846 1.00 . A A . 75 LEU HD11 1 1 7 2465 1 1 17 LEU HD12 H -7.874 -2.396 2.062 1.00 . A A . 75 LEU HD12 1 1 7 2466 1 1 17 LEU HD13 H -9.166 -1.228 2.344 1.00 . A A . 75 LEU HD13 1 1 7 2467 1 1 17 LEU HD21 H -8.523 -2.963 4.309 1.00 . A A . 75 LEU HD21 1 1 7 2468 1 1 17 LEU HD22 H -9.718 -4.236 4.501 1.00 . A A . 75 LEU HD22 1 1 7 2469 1 1 17 LEU HD23 H -10.217 -2.546 4.557 1.00 . A A . 75 LEU HD23 1 1 7 2470 1 1 17 LEU HG H -9.470 -4.241 2.177 1.00 . A A . 75 LEU HG 1 1 7 2471 1 1 17 LEU N N -11.821 -5.381 1.801 1.00 . A A . 75 LEU N 1 1 7 2472 1 1 17 LEU O O -14.206 -3.601 3.601 1.00 . A A . 75 LEU O 1 1 7 2473 1 1 18 ARG C C -16.383 -4.657 1.890 1.00 . A A . 76 ARG C 1 1 7 2474 1 1 18 ARG CA C -15.522 -3.622 1.177 1.00 . A A . 76 ARG CA 1 1 7 2475 1 1 18 ARG CB C -15.852 -3.614 -0.321 1.00 . A A . 76 ARG CB 1 1 7 2476 1 1 18 ARG CD C -16.135 -1.149 -0.815 1.00 . A A . 76 ARG CD 1 1 7 2477 1 1 18 ARG CG C -15.239 -2.381 -1.009 1.00 . A A . 76 ARG CG 1 1 7 2478 1 1 18 ARG CZ C -17.672 -1.226 -2.697 1.00 . A A . 76 ARG CZ 1 1 7 2479 1 1 18 ARG H H -13.556 -4.164 0.606 1.00 . A A . 76 ARG H 1 1 7 2480 1 1 18 ARG HA H -15.729 -2.656 1.595 1.00 . A A . 76 ARG HA 1 1 7 2481 1 1 18 ARG HB2 H -15.452 -4.509 -0.774 1.00 . A A . 76 ARG HB2 1 1 7 2482 1 1 18 ARG HB3 H -16.924 -3.600 -0.449 1.00 . A A . 76 ARG HB3 1 1 7 2483 1 1 18 ARG HD2 H -16.243 -0.932 0.233 1.00 . A A . 76 ARG HD2 1 1 7 2484 1 1 18 ARG HD3 H -15.679 -0.300 -1.304 1.00 . A A . 76 ARG HD3 1 1 7 2485 1 1 18 ARG HE H -18.189 -1.675 -0.817 1.00 . A A . 76 ARG HE 1 1 7 2486 1 1 18 ARG HG2 H -14.266 -2.182 -0.584 1.00 . A A . 76 ARG HG2 1 1 7 2487 1 1 18 ARG HG3 H -15.132 -2.579 -2.066 1.00 . A A . 76 ARG HG3 1 1 7 2488 1 1 18 ARG HH11 H -15.790 -0.678 -3.102 1.00 . A A . 76 ARG HH11 1 1 7 2489 1 1 18 ARG HH12 H -16.866 -0.723 -4.459 1.00 . A A . 76 ARG HH12 1 1 7 2490 1 1 18 ARG HH21 H -19.604 -1.737 -2.591 1.00 . A A . 76 ARG HH21 1 1 7 2491 1 1 18 ARG HH22 H -19.025 -1.324 -4.169 1.00 . A A . 76 ARG HH22 1 1 7 2492 1 1 18 ARG N N -14.112 -3.920 1.376 1.00 . A A . 76 ARG N 1 1 7 2493 1 1 18 ARG NE N -17.453 -1.389 -1.396 1.00 . A A . 76 ARG NE 1 1 7 2494 1 1 18 ARG NH1 N -16.700 -0.846 -3.481 1.00 . A A . 76 ARG NH1 1 1 7 2495 1 1 18 ARG NH2 N -18.861 -1.445 -3.192 1.00 . A A . 76 ARG NH2 1 1 7 2496 1 1 18 ARG O O -17.408 -4.327 2.487 1.00 . A A . 76 ARG O 1 1 7 2497 1 1 19 CYS C C -16.765 -6.786 3.962 1.00 . A A . 77 CYS C 1 1 7 2498 1 1 19 CYS CA C -16.685 -7.002 2.453 1.00 . A A . 77 CYS CA 1 1 7 2499 1 1 19 CYS CB C -15.986 -8.328 2.160 1.00 . A A . 77 CYS CB 1 1 7 2500 1 1 19 CYS H H -15.132 -6.113 1.328 1.00 . A A . 77 CYS H 1 1 7 2501 1 1 19 CYS HA H -17.685 -7.035 2.049 1.00 . A A . 77 CYS HA 1 1 7 2502 1 1 19 CYS HB2 H -15.943 -8.484 1.086 1.00 . A A . 77 CYS HB2 1 1 7 2503 1 1 19 CYS HB3 H -14.981 -8.306 2.568 1.00 . A A . 77 CYS HB3 1 1 7 2504 1 1 19 CYS HG H -17.698 -9.298 3.335 1.00 . A A . 77 CYS HG 1 1 7 2505 1 1 19 CYS N N -15.955 -5.913 1.819 1.00 . A A . 77 CYS N 1 1 7 2506 1 1 19 CYS O O -17.836 -6.905 4.560 1.00 . A A . 77 CYS O 1 1 7 2507 1 1 19 CYS SG S -16.918 -9.676 2.926 1.00 . A A . 77 CYS SG 1 1 7 2508 1 1 20 SER C C -16.456 -5.053 6.396 1.00 . A A . 78 SER C 1 1 7 2509 1 1 20 SER CA C -15.582 -6.242 6.012 1.00 . A A . 78 SER CA 1 1 7 2510 1 1 20 SER CB C -14.142 -5.983 6.453 1.00 . A A . 78 SER CB 1 1 7 2511 1 1 20 SER H H -14.806 -6.389 4.045 1.00 . A A . 78 SER H 1 1 7 2512 1 1 20 SER HA H -15.947 -7.123 6.518 1.00 . A A . 78 SER HA 1 1 7 2513 1 1 20 SER HB2 H -13.721 -5.180 5.862 1.00 . A A . 78 SER HB2 1 1 7 2514 1 1 20 SER HB3 H -14.134 -5.706 7.506 1.00 . A A . 78 SER HB3 1 1 7 2515 1 1 20 SER HG H -13.897 -7.910 6.543 1.00 . A A . 78 SER HG 1 1 7 2516 1 1 20 SER N N -15.629 -6.469 4.572 1.00 . A A . 78 SER N 1 1 7 2517 1 1 20 SER O O -17.152 -5.083 7.411 1.00 . A A . 78 SER O 1 1 7 2518 1 1 20 SER OG O -13.372 -7.160 6.252 1.00 . A A . 78 SER OG 1 1 7 2519 1 1 21 MET C C -17.529 -2.084 4.533 1.00 . A A . 79 MET C 1 1 7 2520 1 1 21 MET CA C -17.205 -2.803 5.839 1.00 . A A . 79 MET CA 1 1 7 2521 1 1 21 MET CB C -16.432 -1.862 6.767 1.00 . A A . 79 MET CB 1 1 7 2522 1 1 21 MET CE C -17.700 1.687 8.434 1.00 . A A . 79 MET CE 1 1 7 2523 1 1 21 MET CG C -17.300 -0.647 7.103 1.00 . A A . 79 MET CG 1 1 7 2524 1 1 21 MET H H -15.840 -4.036 4.785 1.00 . A A . 79 MET H 1 1 7 2525 1 1 21 MET HA H -18.131 -3.084 6.320 1.00 . A A . 79 MET HA 1 1 7 2526 1 1 21 MET HB2 H -16.179 -2.389 7.682 1.00 . A A . 79 MET HB2 1 1 7 2527 1 1 21 MET HB3 H -15.528 -1.530 6.269 1.00 . A A . 79 MET HB3 1 1 7 2528 1 1 21 MET HE1 H -18.387 1.420 9.224 1.00 . A A . 79 MET HE1 1 1 7 2529 1 1 21 MET HE2 H -18.239 1.767 7.503 1.00 . A A . 79 MET HE2 1 1 7 2530 1 1 21 MET HE3 H -17.231 2.634 8.660 1.00 . A A . 79 MET HE3 1 1 7 2531 1 1 21 MET HG2 H -17.502 -0.085 6.202 1.00 . A A . 79 MET HG2 1 1 7 2532 1 1 21 MET HG3 H -18.233 -0.979 7.536 1.00 . A A . 79 MET HG3 1 1 7 2533 1 1 21 MET N N -16.413 -4.004 5.577 1.00 . A A . 79 MET N 1 1 7 2534 1 1 21 MET O O -16.682 -1.976 3.647 1.00 . A A . 79 MET O 1 1 7 2535 1 1 21 MET SD S -16.427 0.407 8.287 1.00 . A A . 79 MET SD 1 1 7 2536 1 1 22 ASP C C -20.263 0.147 3.562 1.00 . A A . 80 ASP C 1 1 7 2537 1 1 22 ASP CA C -19.193 -0.884 3.219 1.00 . A A . 80 ASP CA 1 1 7 2538 1 1 22 ASP CB C -19.748 -1.878 2.196 1.00 . A A . 80 ASP CB 1 1 7 2539 1 1 22 ASP CG C -21.011 -2.540 2.741 1.00 . A A . 80 ASP CG 1 1 7 2540 1 1 22 ASP H H -19.393 -1.711 5.162 1.00 . A A . 80 ASP H 1 1 7 2541 1 1 22 ASP HA H -18.346 -0.374 2.784 1.00 . A A . 80 ASP HA 1 1 7 2542 1 1 22 ASP HB2 H -19.984 -1.355 1.281 1.00 . A A . 80 ASP HB2 1 1 7 2543 1 1 22 ASP HB3 H -19.007 -2.636 1.996 1.00 . A A . 80 ASP HB3 1 1 7 2544 1 1 22 ASP N N -18.761 -1.593 4.422 1.00 . A A . 80 ASP N 1 1 7 2545 1 1 22 ASP O O -20.282 0.599 4.695 1.00 . A A . 80 ASP O 1 1 7 2546 1 1 22 ASP OXT O -21.049 0.470 2.687 1.00 . A A . 80 ASP OXT 1 1 7 2547 1 1 22 ASP OD1 O -21.412 -2.192 3.840 1.00 . A A . 80 ASP OD1 1 1 7 2548 1 1 22 ASP OD2 O -21.558 -3.383 2.051 1.00 . A A . 80 ASP OD2 1 1 8 2549 1 1 1 ASP C C 0.841 -9.244 4.114 1.00 . A A . 59 ASP C 1 1 8 2550 1 1 1 ASP CA C 1.084 -8.145 5.143 1.00 . A A . 59 ASP CA 1 1 8 2551 1 1 1 ASP CB C 1.045 -6.775 4.464 1.00 . A A . 59 ASP CB 1 1 8 2552 1 1 1 ASP CG C 2.064 -6.723 3.330 1.00 . A A . 59 ASP CG 1 1 8 2553 1 1 1 ASP H1 H 2.663 -9.356 5.761 1.00 . A A . 59 ASP H1 1 1 8 2554 1 1 1 ASP H2 H 2.389 -8.009 6.760 1.00 . A A . 59 ASP H2 1 1 8 2555 1 1 1 ASP H3 H 3.136 -7.809 5.248 1.00 . A A . 59 ASP H3 1 1 8 2556 1 1 1 ASP HA H 0.318 -8.191 5.903 1.00 . A A . 59 ASP HA 1 1 8 2557 1 1 1 ASP HB2 H 0.051 -6.602 4.061 1.00 . A A . 59 ASP HB2 1 1 8 2558 1 1 1 ASP HB3 H 1.282 -6.006 5.193 1.00 . A A . 59 ASP HB3 1 1 8 2559 1 1 1 ASP N N 2.418 -8.345 5.776 1.00 . A A . 59 ASP N 1 1 8 2560 1 1 1 ASP O O 1.633 -10.178 3.990 1.00 . A A . 59 ASP O 1 1 8 2561 1 1 1 ASP OD1 O 2.720 -7.727 3.103 1.00 . A A . 59 ASP OD1 1 1 8 2562 1 1 1 ASP OD2 O 2.174 -5.681 2.705 1.00 . A A . 59 ASP OD2 1 1 8 2563 1 1 2 THR C C 0.119 -9.818 1.055 1.00 . A A . 60 THR C 1 1 8 2564 1 1 2 THR CA C -0.605 -10.116 2.363 1.00 . A A . 60 THR CA 1 1 8 2565 1 1 2 THR CB C -2.121 -10.126 2.126 1.00 . A A . 60 THR CB 1 1 8 2566 1 1 2 THR CG2 C -2.628 -8.702 1.875 1.00 . A A . 60 THR CG2 1 1 8 2567 1 1 2 THR H H -0.855 -8.364 3.524 1.00 . A A . 60 THR H 1 1 8 2568 1 1 2 THR HA H -0.305 -11.095 2.708 1.00 . A A . 60 THR HA 1 1 8 2569 1 1 2 THR HB H -2.616 -10.530 2.996 1.00 . A A . 60 THR HB 1 1 8 2570 1 1 2 THR HG1 H -3.312 -10.747 0.718 1.00 . A A . 60 THR HG1 1 1 8 2571 1 1 2 THR HG21 H -3.559 -8.743 1.330 1.00 . A A . 60 THR HG21 1 1 8 2572 1 1 2 THR HG22 H -1.899 -8.153 1.298 1.00 . A A . 60 THR HG22 1 1 8 2573 1 1 2 THR HG23 H -2.788 -8.204 2.820 1.00 . A A . 60 THR HG23 1 1 8 2574 1 1 2 THR N N -0.263 -9.128 3.380 1.00 . A A . 60 THR N 1 1 8 2575 1 1 2 THR O O 0.315 -8.660 0.686 1.00 . A A . 60 THR O 1 1 8 2576 1 1 2 THR OG1 O -2.414 -10.941 0.999 1.00 . A A . 60 THR OG1 1 1 8 2577 1 1 3 LEU C C 0.335 -10.086 -1.957 1.00 . A A . 61 LEU C 1 1 8 2578 1 1 3 LEU CA C 1.227 -10.739 -0.905 1.00 . A A . 61 LEU CA 1 1 8 2579 1 1 3 LEU CB C 1.698 -12.113 -1.405 1.00 . A A . 61 LEU CB 1 1 8 2580 1 1 3 LEU CD1 C 2.533 -12.873 0.845 1.00 . A A . 61 LEU CD1 1 1 8 2581 1 1 3 LEU CD2 C 3.484 -13.854 -1.249 1.00 . A A . 61 LEU CD2 1 1 8 2582 1 1 3 LEU CG C 2.925 -12.579 -0.608 1.00 . A A . 61 LEU CG 1 1 8 2583 1 1 3 LEU H H 0.332 -11.771 0.714 1.00 . A A . 61 LEU H 1 1 8 2584 1 1 3 LEU HA H 2.092 -10.111 -0.751 1.00 . A A . 61 LEU HA 1 1 8 2585 1 1 3 LEU HB2 H 0.898 -12.829 -1.284 1.00 . A A . 61 LEU HB2 1 1 8 2586 1 1 3 LEU HB3 H 1.960 -12.046 -2.451 1.00 . A A . 61 LEU HB3 1 1 8 2587 1 1 3 LEU HD11 H 2.412 -11.943 1.381 1.00 . A A . 61 LEU HD11 1 1 8 2588 1 1 3 LEU HD12 H 3.310 -13.457 1.317 1.00 . A A . 61 LEU HD12 1 1 8 2589 1 1 3 LEU HD13 H 1.606 -13.425 0.866 1.00 . A A . 61 LEU HD13 1 1 8 2590 1 1 3 LEU HD21 H 2.731 -14.626 -1.229 1.00 . A A . 61 LEU HD21 1 1 8 2591 1 1 3 LEU HD22 H 4.351 -14.182 -0.696 1.00 . A A . 61 LEU HD22 1 1 8 2592 1 1 3 LEU HD23 H 3.764 -13.649 -2.270 1.00 . A A . 61 LEU HD23 1 1 8 2593 1 1 3 LEU HG H 3.680 -11.809 -0.626 1.00 . A A . 61 LEU HG 1 1 8 2594 1 1 3 LEU N N 0.519 -10.876 0.363 1.00 . A A . 61 LEU N 1 1 8 2595 1 1 3 LEU O O 0.798 -9.280 -2.764 1.00 . A A . 61 LEU O 1 1 8 2596 1 1 4 LEU C C -2.029 -8.395 -2.737 1.00 . A A . 62 LEU C 1 1 8 2597 1 1 4 LEU CA C -1.887 -9.894 -2.921 1.00 . A A . 62 LEU CA 1 1 8 2598 1 1 4 LEU CB C -3.256 -10.541 -2.759 1.00 . A A . 62 LEU CB 1 1 8 2599 1 1 4 LEU CD1 C -4.539 -12.678 -2.844 1.00 . A A . 62 LEU CD1 1 1 8 2600 1 1 4 LEU CD2 C -2.866 -12.170 -4.650 1.00 . A A . 62 LEU CD2 1 1 8 2601 1 1 4 LEU CG C -3.190 -12.023 -3.149 1.00 . A A . 62 LEU CG 1 1 8 2602 1 1 4 LEU H H -1.260 -11.098 -1.291 1.00 . A A . 62 LEU H 1 1 8 2603 1 1 4 LEU HA H -1.520 -10.085 -3.914 1.00 . A A . 62 LEU HA 1 1 8 2604 1 1 4 LEU HB2 H -3.568 -10.452 -1.729 1.00 . A A . 62 LEU HB2 1 1 8 2605 1 1 4 LEU HB3 H -3.966 -10.032 -3.392 1.00 . A A . 62 LEU HB3 1 1 8 2606 1 1 4 LEU HD11 H -5.263 -12.365 -3.582 1.00 . A A . 62 LEU HD11 1 1 8 2607 1 1 4 LEU HD12 H -4.872 -12.381 -1.862 1.00 . A A . 62 LEU HD12 1 1 8 2608 1 1 4 LEU HD13 H -4.433 -13.752 -2.879 1.00 . A A . 62 LEU HD13 1 1 8 2609 1 1 4 LEU HD21 H -1.795 -12.199 -4.781 1.00 . A A . 62 LEU HD21 1 1 8 2610 1 1 4 LEU HD22 H -3.272 -11.332 -5.198 1.00 . A A . 62 LEU HD22 1 1 8 2611 1 1 4 LEU HD23 H -3.293 -13.087 -5.032 1.00 . A A . 62 LEU HD23 1 1 8 2612 1 1 4 LEU HG H -2.420 -12.507 -2.566 1.00 . A A . 62 LEU HG 1 1 8 2613 1 1 4 LEU N N -0.945 -10.445 -1.952 1.00 . A A . 62 LEU N 1 1 8 2614 1 1 4 LEU O O -2.128 -7.649 -3.709 1.00 . A A . 62 LEU O 1 1 8 2615 1 1 5 GLY C C -1.047 -5.799 -1.950 1.00 . A A . 63 GLY C 1 1 8 2616 1 1 5 GLY CA C -2.162 -6.531 -1.227 1.00 . A A . 63 GLY CA 1 1 8 2617 1 1 5 GLY H H -1.951 -8.585 -0.754 1.00 . A A . 63 GLY H 1 1 8 2618 1 1 5 GLY HA2 H -3.122 -6.180 -1.591 1.00 . A A . 63 GLY HA2 1 1 8 2619 1 1 5 GLY HA3 H -2.077 -6.349 -0.162 1.00 . A A . 63 GLY HA3 1 1 8 2620 1 1 5 GLY N N -2.034 -7.953 -1.495 1.00 . A A . 63 GLY N 1 1 8 2621 1 1 5 GLY O O -1.117 -4.590 -2.170 1.00 . A A . 63 GLY O 1 1 8 2622 1 1 6 ARG C C 1.066 -6.466 -4.519 1.00 . A A . 64 ARG C 1 1 8 2623 1 1 6 ARG CA C 1.114 -6.009 -3.062 1.00 . A A . 64 ARG CA 1 1 8 2624 1 1 6 ARG CB C 2.423 -6.474 -2.403 1.00 . A A . 64 ARG CB 1 1 8 2625 1 1 6 ARG CD C 4.890 -6.090 -2.259 1.00 . A A . 64 ARG CD 1 1 8 2626 1 1 6 ARG CG C 3.567 -5.520 -2.773 1.00 . A A . 64 ARG CG 1 1 8 2627 1 1 6 ARG CZ C 5.180 -5.208 -0.009 1.00 . A A . 64 ARG CZ 1 1 8 2628 1 1 6 ARG H H -0.044 -7.519 -2.144 1.00 . A A . 64 ARG H 1 1 8 2629 1 1 6 ARG HA H 1.067 -4.932 -3.033 1.00 . A A . 64 ARG HA 1 1 8 2630 1 1 6 ARG HB2 H 2.298 -6.481 -1.330 1.00 . A A . 64 ARG HB2 1 1 8 2631 1 1 6 ARG HB3 H 2.666 -7.471 -2.742 1.00 . A A . 64 ARG HB3 1 1 8 2632 1 1 6 ARG HD2 H 5.056 -7.062 -2.699 1.00 . A A . 64 ARG HD2 1 1 8 2633 1 1 6 ARG HD3 H 5.698 -5.430 -2.543 1.00 . A A . 64 ARG HD3 1 1 8 2634 1 1 6 ARG HE H 4.579 -7.075 -0.407 1.00 . A A . 64 ARG HE 1 1 8 2635 1 1 6 ARG HG2 H 3.615 -5.411 -3.846 1.00 . A A . 64 ARG HG2 1 1 8 2636 1 1 6 ARG HG3 H 3.393 -4.557 -2.321 1.00 . A A . 64 ARG HG3 1 1 8 2637 1 1 6 ARG HH11 H 5.574 -3.949 -1.515 1.00 . A A . 64 ARG HH11 1 1 8 2638 1 1 6 ARG HH12 H 5.790 -3.303 0.077 1.00 . A A . 64 ARG HH12 1 1 8 2639 1 1 6 ARG HH21 H 4.859 -6.233 1.681 1.00 . A A . 64 ARG HH21 1 1 8 2640 1 1 6 ARG HH22 H 5.385 -4.594 1.886 1.00 . A A . 64 ARG HH22 1 1 8 2641 1 1 6 ARG N N -0.024 -6.560 -2.336 1.00 . A A . 64 ARG N 1 1 8 2642 1 1 6 ARG NE N 4.852 -6.222 -0.805 1.00 . A A . 64 ARG NE 1 1 8 2643 1 1 6 ARG NH1 N 5.543 -4.064 -0.522 1.00 . A A . 64 ARG NH1 1 1 8 2644 1 1 6 ARG NH2 N 5.137 -5.356 1.287 1.00 . A A . 64 ARG NH2 1 1 8 2645 1 1 6 ARG O O 2.099 -6.579 -5.179 1.00 . A A . 64 ARG O 1 1 8 2646 1 1 7 MET C C -1.695 -6.790 -6.928 1.00 . A A . 65 MET C 1 1 8 2647 1 1 7 MET CA C -0.309 -7.167 -6.403 1.00 . A A . 65 MET CA 1 1 8 2648 1 1 7 MET CB C -0.120 -8.684 -6.497 1.00 . A A . 65 MET CB 1 1 8 2649 1 1 7 MET CE C 1.827 -10.988 -7.512 1.00 . A A . 65 MET CE 1 1 8 2650 1 1 7 MET CG C -0.103 -9.104 -7.969 1.00 . A A . 65 MET CG 1 1 8 2651 1 1 7 MET H H -0.936 -6.622 -4.447 1.00 . A A . 65 MET H 1 1 8 2652 1 1 7 MET HA H 0.438 -6.686 -7.016 1.00 . A A . 65 MET HA 1 1 8 2653 1 1 7 MET HB2 H 0.815 -8.958 -6.031 1.00 . A A . 65 MET HB2 1 1 8 2654 1 1 7 MET HB3 H -0.935 -9.179 -5.993 1.00 . A A . 65 MET HB3 1 1 8 2655 1 1 7 MET HE1 H 2.370 -10.123 -7.863 1.00 . A A . 65 MET HE1 1 1 8 2656 1 1 7 MET HE2 H 2.289 -11.881 -7.903 1.00 . A A . 65 MET HE2 1 1 8 2657 1 1 7 MET HE3 H 1.844 -11.020 -6.432 1.00 . A A . 65 MET HE3 1 1 8 2658 1 1 7 MET HG2 H -1.041 -8.823 -8.434 1.00 . A A . 65 MET HG2 1 1 8 2659 1 1 7 MET HG3 H 0.720 -8.609 -8.475 1.00 . A A . 65 MET HG3 1 1 8 2660 1 1 7 MET N N -0.143 -6.726 -5.019 1.00 . A A . 65 MET N 1 1 8 2661 1 1 7 MET O O -1.830 -6.296 -8.047 1.00 . A A . 65 MET O 1 1 8 2662 1 1 7 MET SD S 0.108 -10.900 -8.082 1.00 . A A . 65 MET SD 1 1 8 2663 1 1 8 LEU C C -4.753 -5.872 -5.371 1.00 . A A . 66 LEU C 1 1 8 2664 1 1 8 LEU CA C -4.097 -6.691 -6.477 1.00 . A A . 66 LEU CA 1 1 8 2665 1 1 8 LEU CB C -4.889 -7.986 -6.684 1.00 . A A . 66 LEU CB 1 1 8 2666 1 1 8 LEU CD1 C -4.941 -10.193 -7.850 1.00 . A A . 66 LEU CD1 1 1 8 2667 1 1 8 LEU CD2 C -4.334 -8.129 -9.139 1.00 . A A . 66 LEU CD2 1 1 8 2668 1 1 8 LEU CG C -4.232 -8.839 -7.776 1.00 . A A . 66 LEU CG 1 1 8 2669 1 1 8 LEU H H -2.545 -7.405 -5.227 1.00 . A A . 66 LEU H 1 1 8 2670 1 1 8 LEU HA H -4.115 -6.117 -7.389 1.00 . A A . 66 LEU HA 1 1 8 2671 1 1 8 LEU HB2 H -4.908 -8.543 -5.759 1.00 . A A . 66 LEU HB2 1 1 8 2672 1 1 8 LEU HB3 H -5.898 -7.747 -6.976 1.00 . A A . 66 LEU HB3 1 1 8 2673 1 1 8 LEU HD11 H -4.450 -10.818 -8.581 1.00 . A A . 66 LEU HD11 1 1 8 2674 1 1 8 LEU HD12 H -5.972 -10.045 -8.137 1.00 . A A . 66 LEU HD12 1 1 8 2675 1 1 8 LEU HD13 H -4.902 -10.673 -6.882 1.00 . A A . 66 LEU HD13 1 1 8 2676 1 1 8 LEU HD21 H -3.541 -7.402 -9.228 1.00 . A A . 66 LEU HD21 1 1 8 2677 1 1 8 LEU HD22 H -5.289 -7.632 -9.222 1.00 . A A . 66 LEU HD22 1 1 8 2678 1 1 8 LEU HD23 H -4.241 -8.855 -9.936 1.00 . A A . 66 LEU HD23 1 1 8 2679 1 1 8 LEU HG H -3.192 -8.995 -7.527 1.00 . A A . 66 LEU HG 1 1 8 2680 1 1 8 LEU N N -2.718 -7.017 -6.105 1.00 . A A . 66 LEU N 1 1 8 2681 1 1 8 LEU O O -5.764 -6.281 -4.799 1.00 . A A . 66 LEU O 1 1 8 2682 1 1 9 PRO C C -6.047 -3.156 -4.446 1.00 . A A . 67 PRO C 1 1 8 2683 1 1 9 PRO CA C -4.745 -3.824 -4.009 1.00 . A A . 67 PRO CA 1 1 8 2684 1 1 9 PRO CB C -3.624 -2.797 -3.803 1.00 . A A . 67 PRO CB 1 1 8 2685 1 1 9 PRO CD C -2.992 -4.157 -5.694 1.00 . A A . 67 PRO CD 1 1 8 2686 1 1 9 PRO CG C -2.924 -2.737 -5.123 1.00 . A A . 67 PRO CG 1 1 8 2687 1 1 9 PRO HA H -4.901 -4.380 -3.099 1.00 . A A . 67 PRO HA 1 1 8 2688 1 1 9 PRO HB2 H -4.039 -1.824 -3.543 1.00 . A A . 67 PRO HB2 1 1 8 2689 1 1 9 PRO HB3 H -2.936 -3.138 -3.035 1.00 . A A . 67 PRO HB3 1 1 8 2690 1 1 9 PRO HD2 H -3.093 -4.127 -6.771 1.00 . A A . 67 PRO HD2 1 1 8 2691 1 1 9 PRO HD3 H -2.122 -4.725 -5.406 1.00 . A A . 67 PRO HD3 1 1 8 2692 1 1 9 PRO HG2 H -3.439 -2.041 -5.784 1.00 . A A . 67 PRO HG2 1 1 8 2693 1 1 9 PRO HG3 H -1.888 -2.442 -4.991 1.00 . A A . 67 PRO HG3 1 1 8 2694 1 1 9 PRO N N -4.201 -4.725 -5.066 1.00 . A A . 67 PRO N 1 1 8 2695 1 1 9 PRO O O -6.832 -2.699 -3.616 1.00 . A A . 67 PRO O 1 1 8 2696 1 1 10 GLN C C -8.451 -3.551 -6.796 1.00 . A A . 68 GLN C 1 1 8 2697 1 1 10 GLN CA C -7.479 -2.485 -6.307 1.00 . A A . 68 GLN CA 1 1 8 2698 1 1 10 GLN CB C -7.128 -1.535 -7.454 1.00 . A A . 68 GLN CB 1 1 8 2699 1 1 10 GLN CD C -6.062 -1.338 -9.710 1.00 . A A . 68 GLN CD 1 1 8 2700 1 1 10 GLN CG C -6.422 -2.299 -8.580 1.00 . A A . 68 GLN CG 1 1 8 2701 1 1 10 GLN H H -5.604 -3.482 -6.369 1.00 . A A . 68 GLN H 1 1 8 2702 1 1 10 GLN HA H -7.969 -1.911 -5.530 1.00 . A A . 68 GLN HA 1 1 8 2703 1 1 10 GLN HB2 H -8.042 -1.092 -7.838 1.00 . A A . 68 GLN HB2 1 1 8 2704 1 1 10 GLN HB3 H -6.473 -0.756 -7.083 1.00 . A A . 68 GLN HB3 1 1 8 2705 1 1 10 GLN HE21 H -4.116 -1.746 -9.627 1.00 . A A . 68 GLN HE21 1 1 8 2706 1 1 10 GLN HE22 H -4.580 -0.598 -10.809 1.00 . A A . 68 GLN HE22 1 1 8 2707 1 1 10 GLN HG2 H -5.520 -2.750 -8.197 1.00 . A A . 68 GLN HG2 1 1 8 2708 1 1 10 GLN HG3 H -7.075 -3.067 -8.961 1.00 . A A . 68 GLN HG3 1 1 8 2709 1 1 10 GLN N N -6.268 -3.102 -5.759 1.00 . A A . 68 GLN N 1 1 8 2710 1 1 10 GLN NE2 N -4.817 -1.217 -10.079 1.00 . A A . 68 GLN NE2 1 1 8 2711 1 1 10 GLN O O -9.100 -3.390 -7.829 1.00 . A A . 68 GLN O 1 1 8 2712 1 1 10 GLN OE1 O -6.940 -0.680 -10.269 1.00 . A A . 68 GLN OE1 1 1 8 2713 1 1 11 LEU C C -9.572 -6.707 -5.236 1.00 . A A . 69 LEU C 1 1 8 2714 1 1 11 LEU CA C -9.456 -5.719 -6.393 1.00 . A A . 69 LEU CA 1 1 8 2715 1 1 11 LEU CB C -8.948 -6.430 -7.654 1.00 . A A . 69 LEU CB 1 1 8 2716 1 1 11 LEU CD1 C -11.297 -7.075 -8.310 1.00 . A A . 69 LEU CD1 1 1 8 2717 1 1 11 LEU CD2 C -9.326 -8.280 -9.288 1.00 . A A . 69 LEU CD2 1 1 8 2718 1 1 11 LEU CG C -9.877 -7.596 -8.032 1.00 . A A . 69 LEU CG 1 1 8 2719 1 1 11 LEU H H -8.011 -4.705 -5.224 1.00 . A A . 69 LEU H 1 1 8 2720 1 1 11 LEU HA H -10.431 -5.303 -6.597 1.00 . A A . 69 LEU HA 1 1 8 2721 1 1 11 LEU HB2 H -8.914 -5.724 -8.470 1.00 . A A . 69 LEU HB2 1 1 8 2722 1 1 11 LEU HB3 H -7.958 -6.811 -7.471 1.00 . A A . 69 LEU HB3 1 1 8 2723 1 1 11 LEU HD11 H -11.832 -6.974 -7.376 1.00 . A A . 69 LEU HD11 1 1 8 2724 1 1 11 LEU HD12 H -11.823 -7.773 -8.946 1.00 . A A . 69 LEU HD12 1 1 8 2725 1 1 11 LEU HD13 H -11.244 -6.115 -8.801 1.00 . A A . 69 LEU HD13 1 1 8 2726 1 1 11 LEU HD21 H -9.344 -7.584 -10.114 1.00 . A A . 69 LEU HD21 1 1 8 2727 1 1 11 LEU HD22 H -9.935 -9.139 -9.526 1.00 . A A . 69 LEU HD22 1 1 8 2728 1 1 11 LEU HD23 H -8.309 -8.599 -9.108 1.00 . A A . 69 LEU HD23 1 1 8 2729 1 1 11 LEU HG H -9.910 -8.311 -7.223 1.00 . A A . 69 LEU HG 1 1 8 2730 1 1 11 LEU N N -8.554 -4.634 -6.037 1.00 . A A . 69 LEU N 1 1 8 2731 1 1 11 LEU O O -10.638 -6.832 -4.635 1.00 . A A . 69 LEU O 1 1 8 2732 1 1 12 VAL C C -8.800 -7.601 -2.503 1.00 . A A . 70 VAL C 1 1 8 2733 1 1 12 VAL CA C -8.532 -8.346 -3.804 1.00 . A A . 70 VAL CA 1 1 8 2734 1 1 12 VAL CB C -7.204 -9.101 -3.702 1.00 . A A . 70 VAL CB 1 1 8 2735 1 1 12 VAL CG1 C -7.179 -9.927 -2.412 1.00 . A A . 70 VAL CG1 1 1 8 2736 1 1 12 VAL CG2 C -7.061 -10.032 -4.906 1.00 . A A . 70 VAL CG2 1 1 8 2737 1 1 12 VAL H H -7.648 -7.262 -5.405 1.00 . A A . 70 VAL H 1 1 8 2738 1 1 12 VAL HA H -9.327 -9.055 -3.977 1.00 . A A . 70 VAL HA 1 1 8 2739 1 1 12 VAL HB H -6.387 -8.390 -3.692 1.00 . A A . 70 VAL HB 1 1 8 2740 1 1 12 VAL HG11 H -7.036 -9.270 -1.564 1.00 . A A . 70 VAL HG11 1 1 8 2741 1 1 12 VAL HG12 H -6.372 -10.641 -2.454 1.00 . A A . 70 VAL HG12 1 1 8 2742 1 1 12 VAL HG13 H -8.118 -10.450 -2.303 1.00 . A A . 70 VAL HG13 1 1 8 2743 1 1 12 VAL HG21 H -6.104 -10.531 -4.867 1.00 . A A . 70 VAL HG21 1 1 8 2744 1 1 12 VAL HG22 H -7.131 -9.455 -5.817 1.00 . A A . 70 VAL HG22 1 1 8 2745 1 1 12 VAL HG23 H -7.852 -10.768 -4.886 1.00 . A A . 70 VAL HG23 1 1 8 2746 1 1 12 VAL N N -8.483 -7.398 -4.911 1.00 . A A . 70 VAL N 1 1 8 2747 1 1 12 VAL O O -9.711 -7.943 -1.752 1.00 . A A . 70 VAL O 1 1 8 2748 1 1 13 CYS C C -9.481 -4.972 -1.168 1.00 . A A . 71 CYS C 1 1 8 2749 1 1 13 CYS CA C -8.181 -5.747 -1.074 1.00 . A A . 71 CYS CA 1 1 8 2750 1 1 13 CYS CB C -7.017 -4.772 -0.923 1.00 . A A . 71 CYS CB 1 1 8 2751 1 1 13 CYS H H -7.319 -6.327 -2.905 1.00 . A A . 71 CYS H 1 1 8 2752 1 1 13 CYS HA H -8.209 -6.389 -0.210 1.00 . A A . 71 CYS HA 1 1 8 2753 1 1 13 CYS HB2 H -6.865 -4.247 -1.858 1.00 . A A . 71 CYS HB2 1 1 8 2754 1 1 13 CYS HB3 H -7.243 -4.061 -0.133 1.00 . A A . 71 CYS HB3 1 1 8 2755 1 1 13 CYS HG H -5.672 -6.615 -0.704 1.00 . A A . 71 CYS HG 1 1 8 2756 1 1 13 CYS N N -8.013 -6.560 -2.262 1.00 . A A . 71 CYS N 1 1 8 2757 1 1 13 CYS O O -10.181 -4.782 -0.176 1.00 . A A . 71 CYS O 1 1 8 2758 1 1 13 CYS SG S -5.520 -5.691 -0.495 1.00 . A A . 71 CYS SG 1 1 8 2759 1 1 14 ARG C C -12.229 -4.539 -2.203 1.00 . A A . 72 ARG C 1 1 8 2760 1 1 14 ARG CA C -10.993 -3.731 -2.587 1.00 . A A . 72 ARG CA 1 1 8 2761 1 1 14 ARG CB C -11.081 -3.310 -4.060 1.00 . A A . 72 ARG CB 1 1 8 2762 1 1 14 ARG CD C -12.161 -1.082 -3.546 1.00 . A A . 72 ARG CD 1 1 8 2763 1 1 14 ARG CG C -12.311 -2.416 -4.297 1.00 . A A . 72 ARG CG 1 1 8 2764 1 1 14 ARG CZ C -12.597 -0.192 -1.329 1.00 . A A . 72 ARG CZ 1 1 8 2765 1 1 14 ARG H H -9.181 -4.679 -3.125 1.00 . A A . 72 ARG H 1 1 8 2766 1 1 14 ARG HA H -10.940 -2.852 -1.979 1.00 . A A . 72 ARG HA 1 1 8 2767 1 1 14 ARG HB2 H -10.186 -2.769 -4.331 1.00 . A A . 72 ARG HB2 1 1 8 2768 1 1 14 ARG HB3 H -11.162 -4.193 -4.675 1.00 . A A . 72 ARG HB3 1 1 8 2769 1 1 14 ARG HD2 H -11.123 -0.787 -3.524 1.00 . A A . 72 ARG HD2 1 1 8 2770 1 1 14 ARG HD3 H -12.733 -0.319 -4.057 1.00 . A A . 72 ARG HD3 1 1 8 2771 1 1 14 ARG HE H -13.021 -2.069 -1.879 1.00 . A A . 72 ARG HE 1 1 8 2772 1 1 14 ARG HG2 H -12.404 -2.219 -5.357 1.00 . A A . 72 ARG HG2 1 1 8 2773 1 1 14 ARG HG3 H -13.200 -2.921 -3.953 1.00 . A A . 72 ARG HG3 1 1 8 2774 1 1 14 ARG HH11 H -11.772 1.064 -2.651 1.00 . A A . 72 ARG HH11 1 1 8 2775 1 1 14 ARG HH12 H -12.067 1.721 -1.077 1.00 . A A . 72 ARG HH12 1 1 8 2776 1 1 14 ARG HH21 H -13.411 -1.214 0.189 1.00 . A A . 72 ARG HH21 1 1 8 2777 1 1 14 ARG HH22 H -12.996 0.433 0.532 1.00 . A A . 72 ARG HH22 1 1 8 2778 1 1 14 ARG N N -9.786 -4.508 -2.375 1.00 . A A . 72 ARG N 1 1 8 2779 1 1 14 ARG NE N -12.651 -1.213 -2.178 1.00 . A A . 72 ARG NE 1 1 8 2780 1 1 14 ARG NH1 N -12.107 0.954 -1.717 1.00 . A A . 72 ARG NH1 1 1 8 2781 1 1 14 ARG NH2 N -13.036 -0.335 -0.108 1.00 . A A . 72 ARG NH2 1 1 8 2782 1 1 14 ARG O O -13.087 -4.061 -1.464 1.00 . A A . 72 ARG O 1 1 8 2783 1 1 15 LEU C C -13.447 -6.987 -0.904 1.00 . A A . 73 LEU C 1 1 8 2784 1 1 15 LEU CA C -13.450 -6.624 -2.383 1.00 . A A . 73 LEU CA 1 1 8 2785 1 1 15 LEU CB C -13.391 -7.903 -3.223 1.00 . A A . 73 LEU CB 1 1 8 2786 1 1 15 LEU CD1 C -13.360 -8.829 -5.543 1.00 . A A . 73 LEU CD1 1 1 8 2787 1 1 15 LEU CD2 C -15.101 -7.124 -4.922 1.00 . A A . 73 LEU CD2 1 1 8 2788 1 1 15 LEU CG C -13.641 -7.578 -4.704 1.00 . A A . 73 LEU CG 1 1 8 2789 1 1 15 LEU H H -11.596 -6.106 -3.273 1.00 . A A . 73 LEU H 1 1 8 2790 1 1 15 LEU HA H -14.361 -6.095 -2.609 1.00 . A A . 73 LEU HA 1 1 8 2791 1 1 15 LEU HB2 H -12.407 -8.352 -3.118 1.00 . A A . 73 LEU HB2 1 1 8 2792 1 1 15 LEU HB3 H -14.148 -8.598 -2.874 1.00 . A A . 73 LEU HB3 1 1 8 2793 1 1 15 LEU HD11 H -12.372 -9.202 -5.312 1.00 . A A . 73 LEU HD11 1 1 8 2794 1 1 15 LEU HD12 H -13.414 -8.579 -6.592 1.00 . A A . 73 LEU HD12 1 1 8 2795 1 1 15 LEU HD13 H -14.093 -9.589 -5.315 1.00 . A A . 73 LEU HD13 1 1 8 2796 1 1 15 LEU HD21 H -15.405 -7.348 -5.937 1.00 . A A . 73 LEU HD21 1 1 8 2797 1 1 15 LEU HD22 H -15.173 -6.059 -4.762 1.00 . A A . 73 LEU HD22 1 1 8 2798 1 1 15 LEU HD23 H -15.755 -7.637 -4.233 1.00 . A A . 73 LEU HD23 1 1 8 2799 1 1 15 LEU HG H -12.969 -6.788 -5.011 1.00 . A A . 73 LEU HG 1 1 8 2800 1 1 15 LEU N N -12.312 -5.768 -2.698 1.00 . A A . 73 LEU N 1 1 8 2801 1 1 15 LEU O O -14.489 -7.000 -0.249 1.00 . A A . 73 LEU O 1 1 8 2802 1 1 16 VAL C C -12.464 -6.513 1.947 1.00 . A A . 74 VAL C 1 1 8 2803 1 1 16 VAL CA C -12.105 -7.665 1.008 1.00 . A A . 74 VAL CA 1 1 8 2804 1 1 16 VAL CB C -10.663 -8.119 1.248 1.00 . A A . 74 VAL CB 1 1 8 2805 1 1 16 VAL CG1 C -10.404 -8.270 2.753 1.00 . A A . 74 VAL CG1 1 1 8 2806 1 1 16 VAL CG2 C -10.440 -9.476 0.562 1.00 . A A . 74 VAL CG2 1 1 8 2807 1 1 16 VAL H H -11.469 -7.266 -0.969 1.00 . A A . 74 VAL H 1 1 8 2808 1 1 16 VAL HA H -12.764 -8.495 1.217 1.00 . A A . 74 VAL HA 1 1 8 2809 1 1 16 VAL HB H -9.984 -7.387 0.826 1.00 . A A . 74 VAL HB 1 1 8 2810 1 1 16 VAL HG11 H -11.230 -8.795 3.208 1.00 . A A . 74 VAL HG11 1 1 8 2811 1 1 16 VAL HG12 H -10.311 -7.291 3.202 1.00 . A A . 74 VAL HG12 1 1 8 2812 1 1 16 VAL HG13 H -9.492 -8.826 2.910 1.00 . A A . 74 VAL HG13 1 1 8 2813 1 1 16 VAL HG21 H -9.381 -9.663 0.468 1.00 . A A . 74 VAL HG21 1 1 8 2814 1 1 16 VAL HG22 H -10.892 -9.463 -0.419 1.00 . A A . 74 VAL HG22 1 1 8 2815 1 1 16 VAL HG23 H -10.894 -10.256 1.155 1.00 . A A . 74 VAL HG23 1 1 8 2816 1 1 16 VAL N N -12.260 -7.291 -0.391 1.00 . A A . 74 VAL N 1 1 8 2817 1 1 16 VAL O O -13.209 -6.703 2.909 1.00 . A A . 74 VAL O 1 1 8 2818 1 1 17 LEU C C -13.712 -3.875 2.489 1.00 . A A . 75 LEU C 1 1 8 2819 1 1 17 LEU CA C -12.224 -4.181 2.530 1.00 . A A . 75 LEU CA 1 1 8 2820 1 1 17 LEU CB C -11.430 -2.954 2.069 1.00 . A A . 75 LEU CB 1 1 8 2821 1 1 17 LEU CD1 C -9.140 -2.030 1.687 1.00 . A A . 75 LEU CD1 1 1 8 2822 1 1 17 LEU CD2 C -9.679 -3.099 3.897 1.00 . A A . 75 LEU CD2 1 1 8 2823 1 1 17 LEU CG C -9.934 -3.144 2.375 1.00 . A A . 75 LEU CG 1 1 8 2824 1 1 17 LEU H H -11.343 -5.221 0.902 1.00 . A A . 75 LEU H 1 1 8 2825 1 1 17 LEU HA H -11.948 -4.419 3.543 1.00 . A A . 75 LEU HA 1 1 8 2826 1 1 17 LEU HB2 H -11.561 -2.828 0.998 1.00 . A A . 75 LEU HB2 1 1 8 2827 1 1 17 LEU HB3 H -11.795 -2.072 2.587 1.00 . A A . 75 LEU HB3 1 1 8 2828 1 1 17 LEU HD11 H -9.316 -2.065 0.623 1.00 . A A . 75 LEU HD11 1 1 8 2829 1 1 17 LEU HD12 H -8.086 -2.163 1.884 1.00 . A A . 75 LEU HD12 1 1 8 2830 1 1 17 LEU HD13 H -9.458 -1.071 2.073 1.00 . A A . 75 LEU HD13 1 1 8 2831 1 1 17 LEU HD21 H -8.669 -2.765 4.089 1.00 . A A . 75 LEU HD21 1 1 8 2832 1 1 17 LEU HD22 H -9.805 -4.086 4.313 1.00 . A A . 75 LEU HD22 1 1 8 2833 1 1 17 LEU HD23 H -10.374 -2.420 4.369 1.00 . A A . 75 LEU HD23 1 1 8 2834 1 1 17 LEU HG H -9.611 -4.099 1.986 1.00 . A A . 75 LEU HG 1 1 8 2835 1 1 17 LEU N N -11.932 -5.326 1.677 1.00 . A A . 75 LEU N 1 1 8 2836 1 1 17 LEU O O -14.335 -3.626 3.521 1.00 . A A . 75 LEU O 1 1 8 2837 1 1 18 ARG C C -16.515 -4.746 1.851 1.00 . A A . 76 ARG C 1 1 8 2838 1 1 18 ARG CA C -15.704 -3.672 1.132 1.00 . A A . 76 ARG CA 1 1 8 2839 1 1 18 ARG CB C -16.074 -3.637 -0.351 1.00 . A A . 76 ARG CB 1 1 8 2840 1 1 18 ARG CD C -15.805 -2.363 -2.486 1.00 . A A . 76 ARG CD 1 1 8 2841 1 1 18 ARG CG C -15.524 -2.355 -0.983 1.00 . A A . 76 ARG CG 1 1 8 2842 1 1 18 ARG CZ C -15.430 -0.920 -4.403 1.00 . A A . 76 ARG CZ 1 1 8 2843 1 1 18 ARG H H -13.735 -4.142 0.506 1.00 . A A . 76 ARG H 1 1 8 2844 1 1 18 ARG HA H -15.934 -2.717 1.571 1.00 . A A . 76 ARG HA 1 1 8 2845 1 1 18 ARG HB2 H -15.643 -4.496 -0.847 1.00 . A A . 76 ARG HB2 1 1 8 2846 1 1 18 ARG HB3 H -17.147 -3.658 -0.457 1.00 . A A . 76 ARG HB3 1 1 8 2847 1 1 18 ARG HD2 H -15.303 -3.204 -2.938 1.00 . A A . 76 ARG HD2 1 1 8 2848 1 1 18 ARG HD3 H -16.869 -2.452 -2.650 1.00 . A A . 76 ARG HD3 1 1 8 2849 1 1 18 ARG HE H -14.907 -0.444 -2.530 1.00 . A A . 76 ARG HE 1 1 8 2850 1 1 18 ARG HG2 H -16.007 -1.500 -0.531 1.00 . A A . 76 ARG HG2 1 1 8 2851 1 1 18 ARG HG3 H -14.462 -2.295 -0.815 1.00 . A A . 76 ARG HG3 1 1 8 2852 1 1 18 ARG HH11 H -16.317 -2.676 -4.767 1.00 . A A . 76 ARG HH11 1 1 8 2853 1 1 18 ARG HH12 H -16.060 -1.667 -6.150 1.00 . A A . 76 ARG HH12 1 1 8 2854 1 1 18 ARG HH21 H -14.568 0.886 -4.340 1.00 . A A . 76 ARG HH21 1 1 8 2855 1 1 18 ARG HH22 H -15.069 0.350 -5.908 1.00 . A A . 76 ARG HH22 1 1 8 2856 1 1 18 ARG N N -14.280 -3.921 1.292 1.00 . A A . 76 ARG N 1 1 8 2857 1 1 18 ARG NE N -15.320 -1.129 -3.095 1.00 . A A . 76 ARG NE 1 1 8 2858 1 1 18 ARG NH1 N -15.979 -1.825 -5.165 1.00 . A A . 76 ARG NH1 1 1 8 2859 1 1 18 ARG NH2 N -14.987 0.192 -4.924 1.00 . A A . 76 ARG NH2 1 1 8 2860 1 1 18 ARG O O -17.536 -4.457 2.472 1.00 . A A . 76 ARG O 1 1 8 2861 1 1 19 CYS C C -16.780 -6.913 3.905 1.00 . A A . 77 CYS C 1 1 8 2862 1 1 19 CYS CA C -16.728 -7.105 2.392 1.00 . A A . 77 CYS CA 1 1 8 2863 1 1 19 CYS CB C -15.996 -8.406 2.065 1.00 . A A . 77 CYS CB 1 1 8 2864 1 1 19 CYS H H -15.229 -6.154 1.243 1.00 . A A . 77 CYS H 1 1 8 2865 1 1 19 CYS HA H -17.735 -7.167 2.010 1.00 . A A . 77 CYS HA 1 1 8 2866 1 1 19 CYS HB2 H -15.974 -8.548 0.989 1.00 . A A . 77 CYS HB2 1 1 8 2867 1 1 19 CYS HB3 H -14.982 -8.357 2.450 1.00 . A A . 77 CYS HB3 1 1 8 2868 1 1 19 CYS HG H -17.629 -9.438 3.297 1.00 . A A . 77 CYS HG 1 1 8 2869 1 1 19 CYS N N -16.048 -5.987 1.754 1.00 . A A . 77 CYS N 1 1 8 2870 1 1 19 CYS O O -17.832 -7.077 4.525 1.00 . A A . 77 CYS O 1 1 8 2871 1 1 19 CYS SG S -16.866 -9.791 2.837 1.00 . A A . 77 CYS SG 1 1 8 2872 1 1 20 SER C C -16.462 -5.199 6.361 1.00 . A A . 78 SER C 1 1 8 2873 1 1 20 SER CA C -15.567 -6.358 5.935 1.00 . A A . 78 SER CA 1 1 8 2874 1 1 20 SER CB C -14.123 -6.068 6.347 1.00 . A A . 78 SER CB 1 1 8 2875 1 1 20 SER H H -14.834 -6.452 3.949 1.00 . A A . 78 SER H 1 1 8 2876 1 1 20 SER HA H -15.896 -7.257 6.435 1.00 . A A . 78 SER HA 1 1 8 2877 1 1 20 SER HB2 H -14.068 -5.961 7.423 1.00 . A A . 78 SER HB2 1 1 8 2878 1 1 20 SER HB3 H -13.487 -6.892 6.028 1.00 . A A . 78 SER HB3 1 1 8 2879 1 1 20 SER HG H -13.768 -4.966 4.784 1.00 . A A . 78 SER HG 1 1 8 2880 1 1 20 SER N N -15.640 -6.567 4.493 1.00 . A A . 78 SER N 1 1 8 2881 1 1 20 SER O O -17.036 -5.213 7.450 1.00 . A A . 78 SER O 1 1 8 2882 1 1 20 SER OG O -13.696 -4.859 5.736 1.00 . A A . 78 SER OG 1 1 8 2883 1 1 21 MET C C -17.914 -2.395 4.502 1.00 . A A . 79 MET C 1 1 8 2884 1 1 21 MET CA C -17.401 -3.024 5.795 1.00 . A A . 79 MET CA 1 1 8 2885 1 1 21 MET CB C -16.581 -1.996 6.580 1.00 . A A . 79 MET CB 1 1 8 2886 1 1 21 MET CE C -16.329 -0.565 9.442 1.00 . A A . 79 MET CE 1 1 8 2887 1 1 21 MET CG C -17.472 -0.810 6.968 1.00 . A A . 79 MET CG 1 1 8 2888 1 1 21 MET H H -16.091 -4.236 4.645 1.00 . A A . 79 MET H 1 1 8 2889 1 1 21 MET HA H -18.245 -3.330 6.394 1.00 . A A . 79 MET HA 1 1 8 2890 1 1 21 MET HB2 H -16.191 -2.462 7.480 1.00 . A A . 79 MET HB2 1 1 8 2891 1 1 21 MET HB3 H -15.761 -1.642 5.964 1.00 . A A . 79 MET HB3 1 1 8 2892 1 1 21 MET HE1 H -15.493 -1.242 9.348 1.00 . A A . 79 MET HE1 1 1 8 2893 1 1 21 MET HE2 H -17.229 -1.129 9.623 1.00 . A A . 79 MET HE2 1 1 8 2894 1 1 21 MET HE3 H -16.160 0.110 10.269 1.00 . A A . 79 MET HE3 1 1 8 2895 1 1 21 MET HG2 H -17.850 -0.337 6.073 1.00 . A A . 79 MET HG2 1 1 8 2896 1 1 21 MET HG3 H -18.299 -1.159 7.566 1.00 . A A . 79 MET HG3 1 1 8 2897 1 1 21 MET N N -16.573 -4.193 5.497 1.00 . A A . 79 MET N 1 1 8 2898 1 1 21 MET O O -17.181 -2.283 3.521 1.00 . A A . 79 MET O 1 1 8 2899 1 1 21 MET SD S -16.501 0.395 7.914 1.00 . A A . 79 MET SD 1 1 8 2900 1 1 22 ASP C C -19.580 0.142 3.358 1.00 . A A . 80 ASP C 1 1 8 2901 1 1 22 ASP CA C -19.791 -1.368 3.336 1.00 . A A . 80 ASP CA 1 1 8 2902 1 1 22 ASP CB C -21.290 -1.671 3.309 1.00 . A A . 80 ASP CB 1 1 8 2903 1 1 22 ASP CG C -21.928 -1.042 2.074 1.00 . A A . 80 ASP CG 1 1 8 2904 1 1 22 ASP H H -19.717 -2.104 5.324 1.00 . A A . 80 ASP H 1 1 8 2905 1 1 22 ASP HA H -19.337 -1.774 2.443 1.00 . A A . 80 ASP HA 1 1 8 2906 1 1 22 ASP HB2 H -21.439 -2.742 3.282 1.00 . A A . 80 ASP HB2 1 1 8 2907 1 1 22 ASP HB3 H -21.755 -1.267 4.195 1.00 . A A . 80 ASP HB3 1 1 8 2908 1 1 22 ASP N N -19.182 -1.987 4.512 1.00 . A A . 80 ASP N 1 1 8 2909 1 1 22 ASP O O -18.844 0.629 2.514 1.00 . A A . 80 ASP O 1 1 8 2910 1 1 22 ASP OXT O -20.157 0.790 4.216 1.00 . A A . 80 ASP OXT 1 1 8 2911 1 1 22 ASP OD1 O -21.229 -0.334 1.367 1.00 . A A . 80 ASP OD1 1 1 8 2912 1 1 22 ASP OD2 O -23.103 -1.278 1.852 1.00 . A A . 80 ASP OD2 1 1 9 2913 1 1 1 ASP C C -0.776 -9.608 3.095 1.00 . A A . 59 ASP C 1 1 9 2914 1 1 1 ASP CA C -0.743 -10.823 4.017 1.00 . A A . 59 ASP CA 1 1 9 2915 1 1 1 ASP CB C -1.170 -12.076 3.247 1.00 . A A . 59 ASP CB 1 1 9 2916 1 1 1 ASP CG C -0.834 -13.323 4.057 1.00 . A A . 59 ASP CG 1 1 9 2917 1 1 1 ASP H1 H -1.147 -10.635 6.051 1.00 . A A . 59 ASP H1 1 1 9 2918 1 1 1 ASP H2 H -2.405 -11.348 5.159 1.00 . A A . 59 ASP H2 1 1 9 2919 1 1 1 ASP H3 H -2.131 -9.675 5.061 1.00 . A A . 59 ASP H3 1 1 9 2920 1 1 1 ASP HA H 0.260 -10.959 4.395 1.00 . A A . 59 ASP HA 1 1 9 2921 1 1 1 ASP HB2 H -2.240 -12.040 3.069 1.00 . A A . 59 ASP HB2 1 1 9 2922 1 1 1 ASP HB3 H -0.640 -12.110 2.300 1.00 . A A . 59 ASP HB3 1 1 9 2923 1 1 1 ASP N N -1.677 -10.604 5.158 1.00 . A A . 59 ASP N 1 1 9 2924 1 1 1 ASP O O -1.681 -9.467 2.272 1.00 . A A . 59 ASP O 1 1 9 2925 1 1 1 ASP OD1 O -0.103 -13.198 5.027 1.00 . A A . 59 ASP OD1 1 1 9 2926 1 1 1 ASP OD2 O -1.310 -14.386 3.694 1.00 . A A . 59 ASP OD2 1 1 9 2927 1 1 2 THR C C 0.962 -7.858 1.079 1.00 . A A . 60 THR C 1 1 9 2928 1 1 2 THR CA C 0.299 -7.537 2.413 1.00 . A A . 60 THR CA 1 1 9 2929 1 1 2 THR CB C 1.105 -6.458 3.138 1.00 . A A . 60 THR CB 1 1 9 2930 1 1 2 THR CG2 C 0.445 -6.141 4.482 1.00 . A A . 60 THR CG2 1 1 9 2931 1 1 2 THR H H 0.912 -8.905 3.906 1.00 . A A . 60 THR H 1 1 9 2932 1 1 2 THR HA H -0.698 -7.164 2.228 1.00 . A A . 60 THR HA 1 1 9 2933 1 1 2 THR HB H 1.132 -5.562 2.536 1.00 . A A . 60 THR HB 1 1 9 2934 1 1 2 THR HG1 H 2.547 -7.053 4.299 1.00 . A A . 60 THR HG1 1 1 9 2935 1 1 2 THR HG21 H 1.049 -5.426 5.019 1.00 . A A . 60 THR HG21 1 1 9 2936 1 1 2 THR HG22 H 0.360 -7.049 5.063 1.00 . A A . 60 THR HG22 1 1 9 2937 1 1 2 THR HG23 H -0.538 -5.730 4.312 1.00 . A A . 60 THR HG23 1 1 9 2938 1 1 2 THR N N 0.219 -8.737 3.237 1.00 . A A . 60 THR N 1 1 9 2939 1 1 2 THR O O 0.928 -7.055 0.147 1.00 . A A . 60 THR O 1 1 9 2940 1 1 2 THR OG1 O 2.430 -6.923 3.355 1.00 . A A . 60 THR OG1 1 1 9 2941 1 1 3 LEU C C 1.205 -9.564 -1.361 1.00 . A A . 61 LEU C 1 1 9 2942 1 1 3 LEU CA C 2.226 -9.455 -0.235 1.00 . A A . 61 LEU CA 1 1 9 2943 1 1 3 LEU CB C 2.925 -10.805 -0.021 1.00 . A A . 61 LEU CB 1 1 9 2944 1 1 3 LEU CD1 C 4.677 -10.242 -1.747 1.00 . A A . 61 LEU CD1 1 1 9 2945 1 1 3 LEU CD2 C 4.286 -12.622 -1.057 1.00 . A A . 61 LEU CD2 1 1 9 2946 1 1 3 LEU CG C 3.616 -11.267 -1.314 1.00 . A A . 61 LEU CG 1 1 9 2947 1 1 3 LEU H H 1.558 -9.644 1.766 1.00 . A A . 61 LEU H 1 1 9 2948 1 1 3 LEU HA H 2.965 -8.715 -0.498 1.00 . A A . 61 LEU HA 1 1 9 2949 1 1 3 LEU HB2 H 3.663 -10.704 0.762 1.00 . A A . 61 LEU HB2 1 1 9 2950 1 1 3 LEU HB3 H 2.192 -11.541 0.273 1.00 . A A . 61 LEU HB3 1 1 9 2951 1 1 3 LEU HD11 H 5.421 -10.724 -2.368 1.00 . A A . 61 LEU HD11 1 1 9 2952 1 1 3 LEU HD12 H 5.159 -9.825 -0.873 1.00 . A A . 61 LEU HD12 1 1 9 2953 1 1 3 LEU HD13 H 4.204 -9.451 -2.309 1.00 . A A . 61 LEU HD13 1 1 9 2954 1 1 3 LEU HD21 H 4.750 -12.972 -1.967 1.00 . A A . 61 LEU HD21 1 1 9 2955 1 1 3 LEU HD22 H 3.544 -13.337 -0.736 1.00 . A A . 61 LEU HD22 1 1 9 2956 1 1 3 LEU HD23 H 5.038 -12.513 -0.289 1.00 . A A . 61 LEU HD23 1 1 9 2957 1 1 3 LEU HG H 2.884 -11.376 -2.099 1.00 . A A . 61 LEU HG 1 1 9 2958 1 1 3 LEU N N 1.563 -9.041 0.992 1.00 . A A . 61 LEU N 1 1 9 2959 1 1 3 LEU O O 1.434 -9.079 -2.468 1.00 . A A . 61 LEU O 1 1 9 2960 1 1 4 LEU C C -1.516 -8.966 -2.442 1.00 . A A . 62 LEU C 1 1 9 2961 1 1 4 LEU CA C -0.980 -10.337 -2.063 1.00 . A A . 62 LEU CA 1 1 9 2962 1 1 4 LEU CB C -2.114 -11.200 -1.515 1.00 . A A . 62 LEU CB 1 1 9 2963 1 1 4 LEU CD1 C -2.673 -12.049 -3.827 1.00 . A A . 62 LEU CD1 1 1 9 2964 1 1 4 LEU CD2 C -4.353 -12.198 -1.970 1.00 . A A . 62 LEU CD2 1 1 9 2965 1 1 4 LEU CG C -3.224 -11.357 -2.569 1.00 . A A . 62 LEU CG 1 1 9 2966 1 1 4 LEU H H -0.064 -10.551 -0.164 1.00 . A A . 62 LEU H 1 1 9 2967 1 1 4 LEU HA H -0.563 -10.809 -2.940 1.00 . A A . 62 LEU HA 1 1 9 2968 1 1 4 LEU HB2 H -1.728 -12.173 -1.254 1.00 . A A . 62 LEU HB2 1 1 9 2969 1 1 4 LEU HB3 H -2.524 -10.728 -0.635 1.00 . A A . 62 LEU HB3 1 1 9 2970 1 1 4 LEU HD11 H -3.482 -12.536 -4.358 1.00 . A A . 62 LEU HD11 1 1 9 2971 1 1 4 LEU HD12 H -1.934 -12.786 -3.547 1.00 . A A . 62 LEU HD12 1 1 9 2972 1 1 4 LEU HD13 H -2.220 -11.312 -4.473 1.00 . A A . 62 LEU HD13 1 1 9 2973 1 1 4 LEU HD21 H -4.886 -11.611 -1.237 1.00 . A A . 62 LEU HD21 1 1 9 2974 1 1 4 LEU HD22 H -3.937 -13.073 -1.495 1.00 . A A . 62 LEU HD22 1 1 9 2975 1 1 4 LEU HD23 H -5.030 -12.500 -2.754 1.00 . A A . 62 LEU HD23 1 1 9 2976 1 1 4 LEU HG H -3.608 -10.380 -2.835 1.00 . A A . 62 LEU HG 1 1 9 2977 1 1 4 LEU N N 0.071 -10.191 -1.066 1.00 . A A . 62 LEU N 1 1 9 2978 1 1 4 LEU O O -1.716 -8.670 -3.620 1.00 . A A . 62 LEU O 1 1 9 2979 1 1 5 GLY C C -1.262 -6.069 -2.592 1.00 . A A . 63 GLY C 1 1 9 2980 1 1 5 GLY CA C -2.238 -6.788 -1.685 1.00 . A A . 63 GLY CA 1 1 9 2981 1 1 5 GLY H H -1.556 -8.412 -0.517 1.00 . A A . 63 GLY H 1 1 9 2982 1 1 5 GLY HA2 H -3.210 -6.849 -2.168 1.00 . A A . 63 GLY HA2 1 1 9 2983 1 1 5 GLY HA3 H -2.319 -6.249 -0.747 1.00 . A A . 63 GLY HA3 1 1 9 2984 1 1 5 GLY N N -1.738 -8.128 -1.435 1.00 . A A . 63 GLY N 1 1 9 2985 1 1 5 GLY O O -1.633 -5.168 -3.342 1.00 . A A . 63 GLY O 1 1 9 2986 1 1 6 ARG C C 0.917 -6.454 -4.785 1.00 . A A . 64 ARG C 1 1 9 2987 1 1 6 ARG CA C 1.029 -5.906 -3.363 1.00 . A A . 64 ARG CA 1 1 9 2988 1 1 6 ARG CB C 2.419 -6.217 -2.782 1.00 . A A . 64 ARG CB 1 1 9 2989 1 1 6 ARG CD C 4.846 -5.632 -2.874 1.00 . A A . 64 ARG CD 1 1 9 2990 1 1 6 ARG CG C 3.443 -5.203 -3.303 1.00 . A A . 64 ARG CG 1 1 9 2991 1 1 6 ARG CZ C 5.244 -4.601 -0.706 1.00 . A A . 64 ARG CZ 1 1 9 2992 1 1 6 ARG H H 0.226 -7.230 -1.917 1.00 . A A . 64 ARG H 1 1 9 2993 1 1 6 ARG HA H 0.886 -4.838 -3.386 1.00 . A A . 64 ARG HA 1 1 9 2994 1 1 6 ARG HB2 H 2.375 -6.160 -1.704 1.00 . A A . 64 ARG HB2 1 1 9 2995 1 1 6 ARG HB3 H 2.719 -7.211 -3.076 1.00 . A A . 64 ARG HB3 1 1 9 2996 1 1 6 ARG HD2 H 5.057 -6.611 -3.277 1.00 . A A . 64 ARG HD2 1 1 9 2997 1 1 6 ARG HD3 H 5.570 -4.927 -3.260 1.00 . A A . 64 ARG HD3 1 1 9 2998 1 1 6 ARG HE H 4.768 -6.529 -0.955 1.00 . A A . 64 ARG HE 1 1 9 2999 1 1 6 ARG HG2 H 3.393 -5.157 -4.382 1.00 . A A . 64 ARG HG2 1 1 9 3000 1 1 6 ARG HG3 H 3.225 -4.229 -2.892 1.00 . A A . 64 ARG HG3 1 1 9 3001 1 1 6 ARG HH11 H 5.411 -3.405 -2.304 1.00 . A A . 64 ARG HH11 1 1 9 3002 1 1 6 ARG HH12 H 5.700 -2.652 -0.771 1.00 . A A . 64 ARG HH12 1 1 9 3003 1 1 6 ARG HH21 H 5.144 -5.547 1.056 1.00 . A A . 64 ARG HH21 1 1 9 3004 1 1 6 ARG HH22 H 5.549 -3.864 1.131 1.00 . A A . 64 ARG HH22 1 1 9 3005 1 1 6 ARG N N -0.005 -6.496 -2.529 1.00 . A A . 64 ARG N 1 1 9 3006 1 1 6 ARG NE N 4.936 -5.682 -1.418 1.00 . A A . 64 ARG NE 1 1 9 3007 1 1 6 ARG NH1 N 5.470 -3.464 -1.307 1.00 . A A . 64 ARG NH1 1 1 9 3008 1 1 6 ARG NH2 N 5.318 -4.675 0.594 1.00 . A A . 64 ARG NH2 1 1 9 3009 1 1 6 ARG O O 1.917 -6.599 -5.490 1.00 . A A . 64 ARG O 1 1 9 3010 1 1 7 MET C C -1.968 -6.934 -6.998 1.00 . A A . 65 MET C 1 1 9 3011 1 1 7 MET CA C -0.557 -7.293 -6.539 1.00 . A A . 65 MET CA 1 1 9 3012 1 1 7 MET CB C -0.389 -8.812 -6.536 1.00 . A A . 65 MET CB 1 1 9 3013 1 1 7 MET CE C -0.169 -11.368 -9.759 1.00 . A A . 65 MET CE 1 1 9 3014 1 1 7 MET CG C -0.386 -9.332 -7.975 1.00 . A A . 65 MET CG 1 1 9 3015 1 1 7 MET H H -1.072 -6.630 -4.587 1.00 . A A . 65 MET H 1 1 9 3016 1 1 7 MET HA H 0.156 -6.864 -7.228 1.00 . A A . 65 MET HA 1 1 9 3017 1 1 7 MET HB2 H 0.547 -9.071 -6.058 1.00 . A A . 65 MET HB2 1 1 9 3018 1 1 7 MET HB3 H -1.205 -9.264 -5.993 1.00 . A A . 65 MET HB3 1 1 9 3019 1 1 7 MET HE1 H -1.036 -10.863 -10.163 1.00 . A A . 65 MET HE1 1 1 9 3020 1 1 7 MET HE2 H -0.233 -12.421 -9.978 1.00 . A A . 65 MET HE2 1 1 9 3021 1 1 7 MET HE3 H 0.730 -10.964 -10.208 1.00 . A A . 65 MET HE3 1 1 9 3022 1 1 7 MET HG2 H -1.345 -9.119 -8.436 1.00 . A A . 65 MET HG2 1 1 9 3023 1 1 7 MET HG3 H 0.408 -8.847 -8.531 1.00 . A A . 65 MET HG3 1 1 9 3024 1 1 7 MET N N -0.313 -6.759 -5.199 1.00 . A A . 65 MET N 1 1 9 3025 1 1 7 MET O O -2.165 -6.473 -8.123 1.00 . A A . 65 MET O 1 1 9 3026 1 1 7 MET SD S -0.109 -11.121 -7.968 1.00 . A A . 65 MET SD 1 1 9 3027 1 1 8 LEU C C -4.929 -5.975 -5.279 1.00 . A A . 66 LEU C 1 1 9 3028 1 1 8 LEU CA C -4.340 -6.804 -6.413 1.00 . A A . 66 LEU CA 1 1 9 3029 1 1 8 LEU CB C -5.147 -8.095 -6.573 1.00 . A A . 66 LEU CB 1 1 9 3030 1 1 8 LEU CD1 C -5.270 -10.307 -7.729 1.00 . A A . 66 LEU CD1 1 1 9 3031 1 1 8 LEU CD2 C -4.756 -8.245 -9.060 1.00 . A A . 66 LEU CD2 1 1 9 3032 1 1 8 LEU CG C -4.562 -8.950 -7.705 1.00 . A A . 66 LEU CG 1 1 9 3033 1 1 8 LEU H H -2.720 -7.484 -5.227 1.00 . A A . 66 LEU H 1 1 9 3034 1 1 8 LEU HA H -4.403 -6.231 -7.328 1.00 . A A . 66 LEU HA 1 1 9 3035 1 1 8 LEU HB2 H -5.113 -8.653 -5.649 1.00 . A A . 66 LEU HB2 1 1 9 3036 1 1 8 LEU HB3 H -6.172 -7.849 -6.803 1.00 . A A . 66 LEU HB3 1 1 9 3037 1 1 8 LEU HD11 H -5.028 -10.854 -6.829 1.00 . A A . 66 LEU HD11 1 1 9 3038 1 1 8 LEU HD12 H -4.941 -10.869 -8.591 1.00 . A A . 66 LEU HD12 1 1 9 3039 1 1 8 LEU HD13 H -6.337 -10.154 -7.785 1.00 . A A . 66 LEU HD13 1 1 9 3040 1 1 8 LEU HD21 H -4.708 -8.973 -9.859 1.00 . A A . 66 LEU HD21 1 1 9 3041 1 1 8 LEU HD22 H -3.977 -7.513 -9.204 1.00 . A A . 66 LEU HD22 1 1 9 3042 1 1 8 LEU HD23 H -5.719 -7.755 -9.084 1.00 . A A . 66 LEU HD23 1 1 9 3043 1 1 8 LEU HG H -3.506 -9.100 -7.526 1.00 . A A . 66 LEU HG 1 1 9 3044 1 1 8 LEU N N -2.943 -7.128 -6.111 1.00 . A A . 66 LEU N 1 1 9 3045 1 1 8 LEU O O -5.890 -6.388 -4.629 1.00 . A A . 66 LEU O 1 1 9 3046 1 1 9 PRO C C -6.166 -3.240 -4.295 1.00 . A A . 67 PRO C 1 1 9 3047 1 1 9 PRO CA C -4.843 -3.918 -3.941 1.00 . A A . 67 PRO CA 1 1 9 3048 1 1 9 PRO CB C -3.707 -2.897 -3.800 1.00 . A A . 67 PRO CB 1 1 9 3049 1 1 9 PRO CD C -3.219 -4.240 -5.750 1.00 . A A . 67 PRO CD 1 1 9 3050 1 1 9 PRO CG C -3.098 -2.827 -5.163 1.00 . A A . 67 PRO CG 1 1 9 3051 1 1 9 PRO HA H -4.949 -4.475 -3.027 1.00 . A A . 67 PRO HA 1 1 9 3052 1 1 9 PRO HB2 H -4.100 -1.926 -3.502 1.00 . A A . 67 PRO HB2 1 1 9 3053 1 1 9 PRO HB3 H -2.972 -3.250 -3.083 1.00 . A A . 67 PRO HB3 1 1 9 3054 1 1 9 PRO HD2 H -3.415 -4.192 -6.812 1.00 . A A . 67 PRO HD2 1 1 9 3055 1 1 9 PRO HD3 H -2.328 -4.811 -5.551 1.00 . A A . 67 PRO HD3 1 1 9 3056 1 1 9 PRO HG2 H -3.648 -2.116 -5.780 1.00 . A A . 67 PRO HG2 1 1 9 3057 1 1 9 PRO HG3 H -2.053 -2.545 -5.098 1.00 . A A . 67 PRO HG3 1 1 9 3058 1 1 9 PRO N N -4.368 -4.819 -5.026 1.00 . A A . 67 PRO N 1 1 9 3059 1 1 9 PRO O O -6.915 -2.818 -3.414 1.00 . A A . 67 PRO O 1 1 9 3060 1 1 10 GLN C C -8.625 -3.567 -6.609 1.00 . A A . 68 GLN C 1 1 9 3061 1 1 10 GLN CA C -7.673 -2.511 -6.070 1.00 . A A . 68 GLN CA 1 1 9 3062 1 1 10 GLN CB C -7.362 -1.500 -7.168 1.00 . A A . 68 GLN CB 1 1 9 3063 1 1 10 GLN CD C -6.126 0.617 -7.674 1.00 . A A . 68 GLN CD 1 1 9 3064 1 1 10 GLN CG C -6.627 -0.302 -6.564 1.00 . A A . 68 GLN CG 1 1 9 3065 1 1 10 GLN H H -5.803 -3.493 -6.245 1.00 . A A . 68 GLN H 1 1 9 3066 1 1 10 GLN HA H -8.157 -1.993 -5.251 1.00 . A A . 68 GLN HA 1 1 9 3067 1 1 10 GLN HB2 H -6.736 -1.967 -7.921 1.00 . A A . 68 GLN HB2 1 1 9 3068 1 1 10 GLN HB3 H -8.291 -1.163 -7.615 1.00 . A A . 68 GLN HB3 1 1 9 3069 1 1 10 GLN HE21 H -6.236 2.261 -6.557 1.00 . A A . 68 GLN HE21 1 1 9 3070 1 1 10 GLN HE22 H -5.679 2.494 -8.160 1.00 . A A . 68 GLN HE22 1 1 9 3071 1 1 10 GLN HG2 H -7.305 0.246 -5.924 1.00 . A A . 68 GLN HG2 1 1 9 3072 1 1 10 GLN HG3 H -5.787 -0.651 -5.984 1.00 . A A . 68 GLN HG3 1 1 9 3073 1 1 10 GLN N N -6.442 -3.139 -5.593 1.00 . A A . 68 GLN N 1 1 9 3074 1 1 10 GLN NE2 N -6.004 1.895 -7.445 1.00 . A A . 68 GLN NE2 1 1 9 3075 1 1 10 GLN O O -9.244 -3.387 -7.657 1.00 . A A . 68 GLN O 1 1 9 3076 1 1 10 GLN OE1 O -5.837 0.157 -8.779 1.00 . A A . 68 GLN OE1 1 1 9 3077 1 1 11 LEU C C -9.750 -6.771 -5.159 1.00 . A A . 69 LEU C 1 1 9 3078 1 1 11 LEU CA C -9.609 -5.757 -6.292 1.00 . A A . 69 LEU CA 1 1 9 3079 1 1 11 LEU CB C -9.047 -6.438 -7.555 1.00 . A A . 69 LEU CB 1 1 9 3080 1 1 11 LEU CD1 C -9.613 -7.543 -9.726 1.00 . A A . 69 LEU CD1 1 1 9 3081 1 1 11 LEU CD2 C -10.862 -8.160 -7.651 1.00 . A A . 69 LEU CD2 1 1 9 3082 1 1 11 LEU CG C -10.184 -7.015 -8.409 1.00 . A A . 69 LEU CG 1 1 9 3083 1 1 11 LEU H H -8.207 -4.759 -5.060 1.00 . A A . 69 LEU H 1 1 9 3084 1 1 11 LEU HA H -10.583 -5.346 -6.511 1.00 . A A . 69 LEU HA 1 1 9 3085 1 1 11 LEU HB2 H -8.503 -5.708 -8.137 1.00 . A A . 69 LEU HB2 1 1 9 3086 1 1 11 LEU HB3 H -8.374 -7.235 -7.273 1.00 . A A . 69 LEU HB3 1 1 9 3087 1 1 11 LEU HD11 H -10.380 -8.085 -10.260 1.00 . A A . 69 LEU HD11 1 1 9 3088 1 1 11 LEU HD12 H -8.785 -8.204 -9.521 1.00 . A A . 69 LEU HD12 1 1 9 3089 1 1 11 LEU HD13 H -9.274 -6.714 -10.330 1.00 . A A . 69 LEU HD13 1 1 9 3090 1 1 11 LEU HD21 H -11.484 -8.723 -8.333 1.00 . A A . 69 LEU HD21 1 1 9 3091 1 1 11 LEU HD22 H -11.471 -7.757 -6.858 1.00 . A A . 69 LEU HD22 1 1 9 3092 1 1 11 LEU HD23 H -10.110 -8.811 -7.232 1.00 . A A . 69 LEU HD23 1 1 9 3093 1 1 11 LEU HG H -10.908 -6.242 -8.620 1.00 . A A . 69 LEU HG 1 1 9 3094 1 1 11 LEU N N -8.732 -4.670 -5.882 1.00 . A A . 69 LEU N 1 1 9 3095 1 1 11 LEU O O -10.819 -6.881 -4.556 1.00 . A A . 69 LEU O 1 1 9 3096 1 1 12 VAL C C -8.979 -7.739 -2.448 1.00 . A A . 70 VAL C 1 1 9 3097 1 1 12 VAL CA C -8.759 -8.469 -3.765 1.00 . A A . 70 VAL CA 1 1 9 3098 1 1 12 VAL CB C -7.469 -9.287 -3.694 1.00 . A A . 70 VAL CB 1 1 9 3099 1 1 12 VAL CG1 C -7.481 -10.150 -2.429 1.00 . A A . 70 VAL CG1 1 1 9 3100 1 1 12 VAL CG2 C -7.380 -10.189 -4.928 1.00 . A A . 70 VAL CG2 1 1 9 3101 1 1 12 VAL H H -7.839 -7.372 -5.339 1.00 . A A . 70 VAL H 1 1 9 3102 1 1 12 VAL HA H -9.589 -9.134 -3.945 1.00 . A A . 70 VAL HA 1 1 9 3103 1 1 12 VAL HB H -6.619 -8.616 -3.671 1.00 . A A . 70 VAL HB 1 1 9 3104 1 1 12 VAL HG11 H -7.286 -9.526 -1.569 1.00 . A A . 70 VAL HG11 1 1 9 3105 1 1 12 VAL HG12 H -6.720 -10.910 -2.504 1.00 . A A . 70 VAL HG12 1 1 9 3106 1 1 12 VAL HG13 H -8.449 -10.617 -2.323 1.00 . A A . 70 VAL HG13 1 1 9 3107 1 1 12 VAL HG21 H -7.492 -9.590 -5.821 1.00 . A A . 70 VAL HG21 1 1 9 3108 1 1 12 VAL HG22 H -8.165 -10.930 -4.890 1.00 . A A . 70 VAL HG22 1 1 9 3109 1 1 12 VAL HG23 H -6.418 -10.683 -4.946 1.00 . A A . 70 VAL HG23 1 1 9 3110 1 1 12 VAL N N -8.682 -7.500 -4.851 1.00 . A A . 70 VAL N 1 1 9 3111 1 1 12 VAL O O -9.898 -8.053 -1.694 1.00 . A A . 70 VAL O 1 1 9 3112 1 1 13 CYS C C -9.519 -5.111 -1.068 1.00 . A A . 71 CYS C 1 1 9 3113 1 1 13 CYS CA C -8.254 -5.946 -0.993 1.00 . A A . 71 CYS CA 1 1 9 3114 1 1 13 CYS CB C -7.040 -5.031 -0.843 1.00 . A A . 71 CYS CB 1 1 9 3115 1 1 13 CYS H H -7.443 -6.533 -2.845 1.00 . A A . 71 CYS H 1 1 9 3116 1 1 13 CYS HA H -8.310 -6.602 -0.137 1.00 . A A . 71 CYS HA 1 1 9 3117 1 1 13 CYS HB2 H -6.880 -4.493 -1.767 1.00 . A A . 71 CYS HB2 1 1 9 3118 1 1 13 CYS HB3 H -7.214 -4.331 -0.031 1.00 . A A . 71 CYS HB3 1 1 9 3119 1 1 13 CYS HG H -5.744 -6.924 -0.782 1.00 . A A . 71 CYS HG 1 1 9 3120 1 1 13 CYS N N -8.140 -6.744 -2.197 1.00 . A A . 71 CYS N 1 1 9 3121 1 1 13 CYS O O -10.215 -4.920 -0.075 1.00 . A A . 71 CYS O 1 1 9 3122 1 1 13 CYS SG S -5.582 -6.032 -0.465 1.00 . A A . 71 CYS SG 1 1 9 3123 1 1 14 ARG C C -12.240 -4.572 -2.125 1.00 . A A . 72 ARG C 1 1 9 3124 1 1 14 ARG CA C -10.979 -3.784 -2.468 1.00 . A A . 72 ARG CA 1 1 9 3125 1 1 14 ARG CB C -11.037 -3.313 -3.925 1.00 . A A . 72 ARG CB 1 1 9 3126 1 1 14 ARG CD C -12.017 -1.044 -3.375 1.00 . A A . 72 ARG CD 1 1 9 3127 1 1 14 ARG CG C -12.229 -2.360 -4.142 1.00 . A A . 72 ARG CG 1 1 9 3128 1 1 14 ARG CZ C -12.402 -0.154 -1.149 1.00 . A A . 72 ARG CZ 1 1 9 3129 1 1 14 ARG H H -9.203 -4.790 -3.020 1.00 . A A . 72 ARG H 1 1 9 3130 1 1 14 ARG HA H -10.908 -2.929 -1.827 1.00 . A A . 72 ARG HA 1 1 9 3131 1 1 14 ARG HB2 H -10.119 -2.801 -4.173 1.00 . A A . 72 ARG HB2 1 1 9 3132 1 1 14 ARG HB3 H -11.150 -4.170 -4.570 1.00 . A A . 72 ARG HB3 1 1 9 3133 1 1 14 ARG HD2 H -10.967 -0.791 -3.365 1.00 . A A . 72 ARG HD2 1 1 9 3134 1 1 14 ARG HD3 H -12.564 -0.252 -3.871 1.00 . A A . 72 ARG HD3 1 1 9 3135 1 1 14 ARG HE H -12.886 -2.016 -1.704 1.00 . A A . 72 ARG HE 1 1 9 3136 1 1 14 ARG HG2 H -12.322 -2.149 -5.197 1.00 . A A . 72 ARG HG2 1 1 9 3137 1 1 14 ARG HG3 H -13.137 -2.832 -3.795 1.00 . A A . 72 ARG HG3 1 1 9 3138 1 1 14 ARG HH11 H -11.559 1.085 -2.476 1.00 . A A . 72 ARG HH11 1 1 9 3139 1 1 14 ARG HH12 H -11.814 1.743 -0.893 1.00 . A A . 72 ARG HH12 1 1 9 3140 1 1 14 ARG HH21 H -13.224 -1.159 0.375 1.00 . A A . 72 ARG HH21 1 1 9 3141 1 1 14 ARG HH22 H -12.757 0.472 0.719 1.00 . A A . 72 ARG HH22 1 1 9 3142 1 1 14 ARG N N -9.802 -4.608 -2.266 1.00 . A A . 72 ARG N 1 1 9 3143 1 1 14 ARG NE N -12.494 -1.168 -2.004 1.00 . A A . 72 ARG NE 1 1 9 3144 1 1 14 ARG NH1 N -11.884 0.980 -1.536 1.00 . A A . 72 ARG NH1 1 1 9 3145 1 1 14 ARG NH2 N -12.827 -0.291 0.078 1.00 . A A . 72 ARG NH2 1 1 9 3146 1 1 14 ARG O O -13.102 -4.095 -1.388 1.00 . A A . 72 ARG O 1 1 9 3147 1 1 15 LEU C C -13.527 -7.039 -0.928 1.00 . A A . 73 LEU C 1 1 9 3148 1 1 15 LEU CA C -13.490 -6.634 -2.396 1.00 . A A . 73 LEU CA 1 1 9 3149 1 1 15 LEU CB C -13.425 -7.880 -3.283 1.00 . A A . 73 LEU CB 1 1 9 3150 1 1 15 LEU CD1 C -15.948 -8.046 -3.300 1.00 . A A . 73 LEU CD1 1 1 9 3151 1 1 15 LEU CD2 C -14.529 -10.007 -3.934 1.00 . A A . 73 LEU CD2 1 1 9 3152 1 1 15 LEU CG C -14.632 -8.793 -3.014 1.00 . A A . 73 LEU CG 1 1 9 3153 1 1 15 LEU H H -11.614 -6.116 -3.228 1.00 . A A . 73 LEU H 1 1 9 3154 1 1 15 LEU HA H -14.385 -6.087 -2.633 1.00 . A A . 73 LEU HA 1 1 9 3155 1 1 15 LEU HB2 H -13.435 -7.576 -4.326 1.00 . A A . 73 LEU HB2 1 1 9 3156 1 1 15 LEU HB3 H -12.513 -8.424 -3.068 1.00 . A A . 73 LEU HB3 1 1 9 3157 1 1 15 LEU HD11 H -16.732 -8.758 -3.523 1.00 . A A . 73 LEU HD11 1 1 9 3158 1 1 15 LEU HD12 H -15.816 -7.383 -4.143 1.00 . A A . 73 LEU HD12 1 1 9 3159 1 1 15 LEU HD13 H -16.229 -7.469 -2.431 1.00 . A A . 73 LEU HD13 1 1 9 3160 1 1 15 LEU HD21 H -13.710 -10.629 -3.614 1.00 . A A . 73 LEU HD21 1 1 9 3161 1 1 15 LEU HD22 H -14.354 -9.669 -4.945 1.00 . A A . 73 LEU HD22 1 1 9 3162 1 1 15 LEU HD23 H -15.450 -10.567 -3.894 1.00 . A A . 73 LEU HD23 1 1 9 3163 1 1 15 LEU HG H -14.621 -9.120 -1.986 1.00 . A A . 73 LEU HG 1 1 9 3164 1 1 15 LEU N N -12.336 -5.784 -2.659 1.00 . A A . 73 LEU N 1 1 9 3165 1 1 15 LEU O O -14.574 -7.001 -0.284 1.00 . A A . 73 LEU O 1 1 9 3166 1 1 16 VAL C C -12.567 -6.723 1.940 1.00 . A A . 74 VAL C 1 1 9 3167 1 1 16 VAL CA C -12.255 -7.864 0.972 1.00 . A A . 74 VAL CA 1 1 9 3168 1 1 16 VAL CB C -10.836 -8.392 1.214 1.00 . A A . 74 VAL CB 1 1 9 3169 1 1 16 VAL CG1 C -10.604 -8.602 2.716 1.00 . A A . 74 VAL CG1 1 1 9 3170 1 1 16 VAL CG2 C -10.670 -9.734 0.489 1.00 . A A . 74 VAL CG2 1 1 9 3171 1 1 16 VAL H H -11.572 -7.451 -0.986 1.00 . A A . 74 VAL H 1 1 9 3172 1 1 16 VAL HA H -12.956 -8.667 1.148 1.00 . A A . 74 VAL HA 1 1 9 3173 1 1 16 VAL HB H -10.119 -7.680 0.823 1.00 . A A . 74 VAL HB 1 1 9 3174 1 1 16 VAL HG11 H -11.458 -9.108 3.144 1.00 . A A . 74 VAL HG11 1 1 9 3175 1 1 16 VAL HG12 H -10.477 -7.643 3.200 1.00 . A A . 74 VAL HG12 1 1 9 3176 1 1 16 VAL HG13 H -9.719 -9.201 2.865 1.00 . A A . 74 VAL HG13 1 1 9 3177 1 1 16 VAL HG21 H -11.101 -9.670 -0.500 1.00 . A A . 74 VAL HG21 1 1 9 3178 1 1 16 VAL HG22 H -11.175 -10.510 1.047 1.00 . A A . 74 VAL HG22 1 1 9 3179 1 1 16 VAL HG23 H -9.619 -9.974 0.410 1.00 . A A . 74 VAL HG23 1 1 9 3180 1 1 16 VAL N N -12.368 -7.438 -0.414 1.00 . A A . 74 VAL N 1 1 9 3181 1 1 16 VAL O O -13.347 -6.896 2.876 1.00 . A A . 74 VAL O 1 1 9 3182 1 1 17 LEU C C -13.678 -4.028 2.515 1.00 . A A . 75 LEU C 1 1 9 3183 1 1 17 LEU CA C -12.212 -4.422 2.591 1.00 . A A . 75 LEU CA 1 1 9 3184 1 1 17 LEU CB C -11.331 -3.235 2.186 1.00 . A A . 75 LEU CB 1 1 9 3185 1 1 17 LEU CD1 C -8.979 -2.449 1.886 1.00 . A A . 75 LEU CD1 1 1 9 3186 1 1 17 LEU CD2 C -9.649 -3.520 4.059 1.00 . A A . 75 LEU CD2 1 1 9 3187 1 1 17 LEU CG C -9.862 -3.524 2.530 1.00 . A A . 75 LEU CG 1 1 9 3188 1 1 17 LEU H H -11.355 -5.468 0.956 1.00 . A A . 75 LEU H 1 1 9 3189 1 1 17 LEU HA H -11.982 -4.703 3.605 1.00 . A A . 75 LEU HA 1 1 9 3190 1 1 17 LEU HB2 H -11.423 -3.076 1.116 1.00 . A A . 75 LEU HB2 1 1 9 3191 1 1 17 LEU HB3 H -11.659 -2.347 2.714 1.00 . A A . 75 LEU HB3 1 1 9 3192 1 1 17 LEU HD11 H -7.939 -2.694 2.044 1.00 . A A . 75 LEU HD11 1 1 9 3193 1 1 17 LEU HD12 H -9.195 -1.491 2.335 1.00 . A A . 75 LEU HD12 1 1 9 3194 1 1 17 LEU HD13 H -9.182 -2.404 0.826 1.00 . A A . 75 LEU HD13 1 1 9 3195 1 1 17 LEU HD21 H -8.620 -3.262 4.285 1.00 . A A . 75 LEU HD21 1 1 9 3196 1 1 17 LEU HD22 H -9.857 -4.500 4.456 1.00 . A A . 75 LEU HD22 1 1 9 3197 1 1 17 LEU HD23 H -10.305 -2.798 4.523 1.00 . A A . 75 LEU HD23 1 1 9 3198 1 1 17 LEU HG H -9.587 -4.491 2.133 1.00 . A A . 75 LEU HG 1 1 9 3199 1 1 17 LEU N N -11.964 -5.561 1.715 1.00 . A A . 75 LEU N 1 1 9 3200 1 1 17 LEU O O -14.312 -3.750 3.534 1.00 . A A . 75 LEU O 1 1 9 3201 1 1 18 ARG C C -16.506 -4.716 1.788 1.00 . A A . 76 ARG C 1 1 9 3202 1 1 18 ARG CA C -15.615 -3.685 1.104 1.00 . A A . 76 ARG CA 1 1 9 3203 1 1 18 ARG CB C -15.935 -3.634 -0.395 1.00 . A A . 76 ARG CB 1 1 9 3204 1 1 18 ARG CD C -16.127 -1.157 -0.865 1.00 . A A . 76 ARG CD 1 1 9 3205 1 1 18 ARG CG C -15.264 -2.412 -1.050 1.00 . A A . 76 ARG CG 1 1 9 3206 1 1 18 ARG CZ C -16.072 1.181 -1.514 1.00 . A A . 76 ARG CZ 1 1 9 3207 1 1 18 ARG H H -13.662 -4.268 0.530 1.00 . A A . 76 ARG H 1 1 9 3208 1 1 18 ARG HA H -15.800 -2.724 1.541 1.00 . A A . 76 ARG HA 1 1 9 3209 1 1 18 ARG HB2 H -15.569 -4.536 -0.866 1.00 . A A . 76 ARG HB2 1 1 9 3210 1 1 18 ARG HB3 H -17.006 -3.571 -0.530 1.00 . A A . 76 ARG HB3 1 1 9 3211 1 1 18 ARG HD2 H -17.102 -1.328 -1.295 1.00 . A A . 76 ARG HD2 1 1 9 3212 1 1 18 ARG HD3 H -16.236 -0.941 0.187 1.00 . A A . 76 ARG HD3 1 1 9 3213 1 1 18 ARG HE H -14.648 -0.141 -1.991 1.00 . A A . 76 ARG HE 1 1 9 3214 1 1 18 ARG HG2 H -14.297 -2.246 -0.597 1.00 . A A . 76 ARG HG2 1 1 9 3215 1 1 18 ARG HG3 H -15.134 -2.599 -2.105 1.00 . A A . 76 ARG HG3 1 1 9 3216 1 1 18 ARG HH11 H -17.654 0.589 -0.439 1.00 . A A . 76 ARG HH11 1 1 9 3217 1 1 18 ARG HH12 H -17.638 2.261 -0.890 1.00 . A A . 76 ARG HH12 1 1 9 3218 1 1 18 ARG HH21 H -14.621 2.051 -2.586 1.00 . A A . 76 ARG HH21 1 1 9 3219 1 1 18 ARG HH22 H -15.922 3.089 -2.105 1.00 . A A . 76 ARG HH22 1 1 9 3220 1 1 18 ARG N N -14.215 -4.025 1.302 1.00 . A A . 76 ARG N 1 1 9 3221 1 1 18 ARG NE N -15.503 -0.019 -1.528 1.00 . A A . 76 ARG NE 1 1 9 3222 1 1 18 ARG NH1 N -17.209 1.358 -0.900 1.00 . A A . 76 ARG NH1 1 1 9 3223 1 1 18 ARG NH2 N -15.494 2.185 -2.115 1.00 . A A . 76 ARG NH2 1 1 9 3224 1 1 18 ARG O O -17.526 -4.373 2.388 1.00 . A A . 76 ARG O 1 1 9 3225 1 1 19 CYS C C -16.950 -6.881 3.810 1.00 . A A . 77 CYS C 1 1 9 3226 1 1 19 CYS CA C -16.870 -7.064 2.298 1.00 . A A . 77 CYS CA 1 1 9 3227 1 1 19 CYS CB C -16.203 -8.401 1.974 1.00 . A A . 77 CYS CB 1 1 9 3228 1 1 19 CYS H H -15.289 -6.189 1.199 1.00 . A A . 77 CYS H 1 1 9 3229 1 1 19 CYS HA H -17.868 -7.063 1.889 1.00 . A A . 77 CYS HA 1 1 9 3230 1 1 19 CYS HB2 H -16.160 -8.533 0.898 1.00 . A A . 77 CYS HB2 1 1 9 3231 1 1 19 CYS HB3 H -15.198 -8.412 2.387 1.00 . A A . 77 CYS HB3 1 1 9 3232 1 1 19 CYS HG H -17.918 -9.351 3.160 1.00 . A A . 77 CYS HG 1 1 9 3233 1 1 19 CYS N N -16.110 -5.981 1.691 1.00 . A A . 77 CYS N 1 1 9 3234 1 1 19 CYS O O -18.026 -6.985 4.400 1.00 . A A . 77 CYS O 1 1 9 3235 1 1 19 CYS SG S -17.169 -9.743 2.708 1.00 . A A . 77 CYS SG 1 1 9 3236 1 1 20 SER C C -16.623 -5.223 6.285 1.00 . A A . 78 SER C 1 1 9 3237 1 1 20 SER CA C -15.761 -6.412 5.874 1.00 . A A . 78 SER CA 1 1 9 3238 1 1 20 SER CB C -14.319 -6.176 6.322 1.00 . A A . 78 SER CB 1 1 9 3239 1 1 20 SER H H -14.982 -6.536 3.908 1.00 . A A . 78 SER H 1 1 9 3240 1 1 20 SER HA H -16.135 -7.301 6.360 1.00 . A A . 78 SER HA 1 1 9 3241 1 1 20 SER HB2 H -13.715 -7.039 6.072 1.00 . A A . 78 SER HB2 1 1 9 3242 1 1 20 SER HB3 H -13.926 -5.294 5.820 1.00 . A A . 78 SER HB3 1 1 9 3243 1 1 20 SER HG H -13.940 -6.780 8.134 1.00 . A A . 78 SER HG 1 1 9 3244 1 1 20 SER N N -15.807 -6.607 4.430 1.00 . A A . 78 SER N 1 1 9 3245 1 1 20 SER O O -17.372 -5.292 7.259 1.00 . A A . 78 SER O 1 1 9 3246 1 1 20 SER OG O -14.293 -5.983 7.730 1.00 . A A . 78 SER OG 1 1 9 3247 1 1 21 MET C C -17.522 -2.126 4.543 1.00 . A A . 79 MET C 1 1 9 3248 1 1 21 MET CA C -17.287 -2.926 5.821 1.00 . A A . 79 MET CA 1 1 9 3249 1 1 21 MET CB C -16.539 -2.062 6.843 1.00 . A A . 79 MET CB 1 1 9 3250 1 1 21 MET CE C -16.675 -0.957 9.853 1.00 . A A . 79 MET CE 1 1 9 3251 1 1 21 MET CG C -17.390 -0.843 7.212 1.00 . A A . 79 MET CG 1 1 9 3252 1 1 21 MET H H -15.901 -4.135 4.766 1.00 . A A . 79 MET H 1 1 9 3253 1 1 21 MET HA H -18.244 -3.208 6.237 1.00 . A A . 79 MET HA 1 1 9 3254 1 1 21 MET HB2 H -16.345 -2.650 7.733 1.00 . A A . 79 MET HB2 1 1 9 3255 1 1 21 MET HB3 H -15.602 -1.727 6.411 1.00 . A A . 79 MET HB3 1 1 9 3256 1 1 21 MET HE1 H -16.589 -0.389 10.769 1.00 . A A . 79 MET HE1 1 1 9 3257 1 1 21 MET HE2 H -15.894 -1.698 9.821 1.00 . A A . 79 MET HE2 1 1 9 3258 1 1 21 MET HE3 H -17.637 -1.449 9.817 1.00 . A A . 79 MET HE3 1 1 9 3259 1 1 21 MET HG2 H -17.573 -0.249 6.331 1.00 . A A . 79 MET HG2 1 1 9 3260 1 1 21 MET HG3 H -18.333 -1.171 7.623 1.00 . A A . 79 MET HG3 1 1 9 3261 1 1 21 MET N N -16.514 -4.131 5.531 1.00 . A A . 79 MET N 1 1 9 3262 1 1 21 MET O O -16.626 -1.995 3.708 1.00 . A A . 79 MET O 1 1 9 3263 1 1 21 MET SD S -16.511 0.164 8.437 1.00 . A A . 79 MET SD 1 1 9 3264 1 1 22 ASP C C -20.140 0.236 3.561 1.00 . A A . 80 ASP C 1 1 9 3265 1 1 22 ASP CA C -19.082 -0.806 3.214 1.00 . A A . 80 ASP CA 1 1 9 3266 1 1 22 ASP CB C -19.610 -1.726 2.112 1.00 . A A . 80 ASP CB 1 1 9 3267 1 1 22 ASP CG C -20.916 -2.379 2.553 1.00 . A A . 80 ASP CG 1 1 9 3268 1 1 22 ASP H H -19.406 -1.734 5.095 1.00 . A A . 80 ASP H 1 1 9 3269 1 1 22 ASP HA H -18.200 -0.299 2.852 1.00 . A A . 80 ASP HA 1 1 9 3270 1 1 22 ASP HB2 H -19.782 -1.148 1.216 1.00 . A A . 80 ASP HB2 1 1 9 3271 1 1 22 ASP HB3 H -18.878 -2.495 1.906 1.00 . A A . 80 ASP HB3 1 1 9 3272 1 1 22 ASP N N -18.734 -1.595 4.397 1.00 . A A . 80 ASP N 1 1 9 3273 1 1 22 ASP O O -21.160 0.261 2.891 1.00 . A A . 80 ASP O 1 1 9 3274 1 1 22 ASP OXT O -19.917 0.993 4.491 1.00 . A A . 80 ASP OXT 1 1 9 3275 1 1 22 ASP OD1 O -21.365 -2.080 3.648 1.00 . A A . 80 ASP OD1 1 1 9 3276 1 1 22 ASP OD2 O -21.449 -3.167 1.790 1.00 . A A . 80 ASP OD2 1 1 10 3277 1 1 1 ASP C C -0.036 -8.896 3.336 1.00 . A A . 59 ASP C 1 1 10 3278 1 1 1 ASP CA C -0.167 -9.995 4.387 1.00 . A A . 59 ASP CA 1 1 10 3279 1 1 1 ASP CB C 1.039 -9.963 5.330 1.00 . A A . 59 ASP CB 1 1 10 3280 1 1 1 ASP CG C 2.267 -10.535 4.628 1.00 . A A . 59 ASP CG 1 1 10 3281 1 1 1 ASP H1 H -0.322 -12.071 4.422 1.00 . A A . 59 ASP H1 1 1 10 3282 1 1 1 ASP H2 H 0.636 -11.469 3.154 1.00 . A A . 59 ASP H2 1 1 10 3283 1 1 1 ASP H3 H -1.056 -11.346 3.076 1.00 . A A . 59 ASP H3 1 1 10 3284 1 1 1 ASP HA H -1.071 -9.840 4.956 1.00 . A A . 59 ASP HA 1 1 10 3285 1 1 1 ASP HB2 H 1.238 -8.938 5.623 1.00 . A A . 59 ASP HB2 1 1 10 3286 1 1 1 ASP HB3 H 0.820 -10.561 6.210 1.00 . A A . 59 ASP HB3 1 1 10 3287 1 1 1 ASP N N -0.232 -11.320 3.709 1.00 . A A . 59 ASP N 1 1 10 3288 1 1 1 ASP O O -1.011 -8.538 2.675 1.00 . A A . 59 ASP O 1 1 10 3289 1 1 1 ASP OD1 O 2.148 -11.593 4.034 1.00 . A A . 59 ASP OD1 1 1 10 3290 1 1 1 ASP OD2 O 3.309 -9.904 4.696 1.00 . A A . 59 ASP OD2 1 1 10 3291 1 1 2 THR C C 1.671 -7.908 0.833 1.00 . A A . 60 THR C 1 1 10 3292 1 1 2 THR CA C 1.423 -7.308 2.213 1.00 . A A . 60 THR CA 1 1 10 3293 1 1 2 THR CB C 2.638 -6.482 2.639 1.00 . A A . 60 THR CB 1 1 10 3294 1 1 2 THR CG2 C 2.392 -5.888 4.025 1.00 . A A . 60 THR CG2 1 1 10 3295 1 1 2 THR H H 1.913 -8.691 3.737 1.00 . A A . 60 THR H 1 1 10 3296 1 1 2 THR HA H 0.561 -6.660 2.164 1.00 . A A . 60 THR HA 1 1 10 3297 1 1 2 THR HB H 2.796 -5.682 1.931 1.00 . A A . 60 THR HB 1 1 10 3298 1 1 2 THR HG1 H 3.917 -7.603 3.582 1.00 . A A . 60 THR HG1 1 1 10 3299 1 1 2 THR HG21 H 2.117 -6.675 4.711 1.00 . A A . 60 THR HG21 1 1 10 3300 1 1 2 THR HG22 H 1.593 -5.162 3.970 1.00 . A A . 60 THR HG22 1 1 10 3301 1 1 2 THR HG23 H 3.292 -5.405 4.376 1.00 . A A . 60 THR HG23 1 1 10 3302 1 1 2 THR N N 1.174 -8.365 3.186 1.00 . A A . 60 THR N 1 1 10 3303 1 1 2 THR O O 1.658 -7.200 -0.174 1.00 . A A . 60 THR O 1 1 10 3304 1 1 2 THR OG1 O 3.787 -7.318 2.675 1.00 . A A . 60 THR OG1 1 1 10 3305 1 1 3 LEU C C 0.904 -9.785 -1.360 1.00 . A A . 61 LEU C 1 1 10 3306 1 1 3 LEU CA C 2.137 -9.900 -0.471 1.00 . A A . 61 LEU CA 1 1 10 3307 1 1 3 LEU CB C 2.466 -11.374 -0.212 1.00 . A A . 61 LEU CB 1 1 10 3308 1 1 3 LEU CD1 C 3.895 -11.483 -2.291 1.00 . A A . 61 LEU CD1 1 1 10 3309 1 1 3 LEU CD2 C 3.022 -13.585 -1.233 1.00 . A A . 61 LEU CD2 1 1 10 3310 1 1 3 LEU CG C 2.711 -12.116 -1.538 1.00 . A A . 61 LEU CG 1 1 10 3311 1 1 3 LEU H H 1.890 -9.735 1.627 1.00 . A A . 61 LEU H 1 1 10 3312 1 1 3 LEU HA H 2.973 -9.430 -0.963 1.00 . A A . 61 LEU HA 1 1 10 3313 1 1 3 LEU HB2 H 3.354 -11.438 0.399 1.00 . A A . 61 LEU HB2 1 1 10 3314 1 1 3 LEU HB3 H 1.643 -11.838 0.306 1.00 . A A . 61 LEU HB3 1 1 10 3315 1 1 3 LEU HD11 H 3.547 -10.633 -2.857 1.00 . A A . 61 LEU HD11 1 1 10 3316 1 1 3 LEU HD12 H 4.325 -12.208 -2.968 1.00 . A A . 61 LEU HD12 1 1 10 3317 1 1 3 LEU HD13 H 4.647 -11.162 -1.584 1.00 . A A . 61 LEU HD13 1 1 10 3318 1 1 3 LEU HD21 H 2.287 -13.972 -0.542 1.00 . A A . 61 LEU HD21 1 1 10 3319 1 1 3 LEU HD22 H 4.006 -13.662 -0.792 1.00 . A A . 61 LEU HD22 1 1 10 3320 1 1 3 LEU HD23 H 2.992 -14.157 -2.148 1.00 . A A . 61 LEU HD23 1 1 10 3321 1 1 3 LEU HG H 1.826 -12.059 -2.153 1.00 . A A . 61 LEU HG 1 1 10 3322 1 1 3 LEU N N 1.894 -9.218 0.794 1.00 . A A . 61 LEU N 1 1 10 3323 1 1 3 LEU O O 1.007 -9.476 -2.547 1.00 . A A . 61 LEU O 1 1 10 3324 1 1 4 LEU C C -1.726 -8.495 -1.981 1.00 . A A . 62 LEU C 1 1 10 3325 1 1 4 LEU CA C -1.511 -9.929 -1.520 1.00 . A A . 62 LEU CA 1 1 10 3326 1 1 4 LEU CB C -2.675 -10.360 -0.632 1.00 . A A . 62 LEU CB 1 1 10 3327 1 1 4 LEU CD1 C -3.982 -11.208 -2.617 1.00 . A A . 62 LEU CD1 1 1 10 3328 1 1 4 LEU CD2 C -5.146 -10.651 -0.459 1.00 . A A . 62 LEU CD2 1 1 10 3329 1 1 4 LEU CG C -4.002 -10.264 -1.402 1.00 . A A . 62 LEU CG 1 1 10 3330 1 1 4 LEU H H -0.287 -10.258 0.178 1.00 . A A . 62 LEU H 1 1 10 3331 1 1 4 LEU HA H -1.457 -10.578 -2.380 1.00 . A A . 62 LEU HA 1 1 10 3332 1 1 4 LEU HB2 H -2.521 -11.378 -0.310 1.00 . A A . 62 LEU HB2 1 1 10 3333 1 1 4 LEU HB3 H -2.718 -9.714 0.232 1.00 . A A . 62 LEU HB3 1 1 10 3334 1 1 4 LEU HD11 H -4.996 -11.467 -2.893 1.00 . A A . 62 LEU HD11 1 1 10 3335 1 1 4 LEU HD12 H -3.438 -12.108 -2.372 1.00 . A A . 62 LEU HD12 1 1 10 3336 1 1 4 LEU HD13 H -3.505 -10.712 -3.449 1.00 . A A . 62 LEU HD13 1 1 10 3337 1 1 4 LEU HD21 H -5.344 -9.835 0.219 1.00 . A A . 62 LEU HD21 1 1 10 3338 1 1 4 LEU HD22 H -4.871 -11.530 0.104 1.00 . A A . 62 LEU HD22 1 1 10 3339 1 1 4 LEU HD23 H -6.030 -10.860 -1.038 1.00 . A A . 62 LEU HD23 1 1 10 3340 1 1 4 LEU HG H -4.150 -9.249 -1.742 1.00 . A A . 62 LEU HG 1 1 10 3341 1 1 4 LEU N N -0.264 -10.024 -0.774 1.00 . A A . 62 LEU N 1 1 10 3342 1 1 4 LEU O O -2.056 -8.244 -3.140 1.00 . A A . 62 LEU O 1 1 10 3343 1 1 5 GLY C C -0.700 -5.763 -2.458 1.00 . A A . 63 GLY C 1 1 10 3344 1 1 5 GLY CA C -1.692 -6.149 -1.379 1.00 . A A . 63 GLY CA 1 1 10 3345 1 1 5 GLY H H -1.262 -7.818 -0.156 1.00 . A A . 63 GLY H 1 1 10 3346 1 1 5 GLY HA2 H -2.703 -5.976 -1.736 1.00 . A A . 63 GLY HA2 1 1 10 3347 1 1 5 GLY HA3 H -1.505 -5.554 -0.492 1.00 . A A . 63 GLY HA3 1 1 10 3348 1 1 5 GLY N N -1.527 -7.557 -1.062 1.00 . A A . 63 GLY N 1 1 10 3349 1 1 5 GLY O O -0.874 -4.768 -3.161 1.00 . A A . 63 GLY O 1 1 10 3350 1 1 6 ARG C C 1.032 -7.051 -4.884 1.00 . A A . 64 ARG C 1 1 10 3351 1 1 6 ARG CA C 1.377 -6.328 -3.584 1.00 . A A . 64 ARG CA 1 1 10 3352 1 1 6 ARG CB C 2.740 -6.813 -3.063 1.00 . A A . 64 ARG CB 1 1 10 3353 1 1 6 ARG CD C 4.070 -4.679 -2.773 1.00 . A A . 64 ARG CD 1 1 10 3354 1 1 6 ARG CG C 3.319 -5.806 -2.049 1.00 . A A . 64 ARG CG 1 1 10 3355 1 1 6 ARG CZ C 5.990 -4.447 -4.242 1.00 . A A . 64 ARG CZ 1 1 10 3356 1 1 6 ARG H H 0.425 -7.351 -1.994 1.00 . A A . 64 ARG H 1 1 10 3357 1 1 6 ARG HA H 1.430 -5.272 -3.781 1.00 . A A . 64 ARG HA 1 1 10 3358 1 1 6 ARG HB2 H 2.615 -7.770 -2.581 1.00 . A A . 64 ARG HB2 1 1 10 3359 1 1 6 ARG HB3 H 3.426 -6.919 -3.892 1.00 . A A . 64 ARG HB3 1 1 10 3360 1 1 6 ARG HD2 H 3.425 -4.220 -3.504 1.00 . A A . 64 ARG HD2 1 1 10 3361 1 1 6 ARG HD3 H 4.372 -3.934 -2.051 1.00 . A A . 64 ARG HD3 1 1 10 3362 1 1 6 ARG HE H 5.506 -6.145 -3.299 1.00 . A A . 64 ARG HE 1 1 10 3363 1 1 6 ARG HG2 H 2.517 -5.382 -1.463 1.00 . A A . 64 ARG HG2 1 1 10 3364 1 1 6 ARG HG3 H 4.006 -6.320 -1.390 1.00 . A A . 64 ARG HG3 1 1 10 3365 1 1 6 ARG HH11 H 4.852 -2.819 -3.991 1.00 . A A . 64 ARG HH11 1 1 10 3366 1 1 6 ARG HH12 H 6.216 -2.625 -5.041 1.00 . A A . 64 ARG HH12 1 1 10 3367 1 1 6 ARG HH21 H 7.298 -5.899 -4.676 1.00 . A A . 64 ARG HH21 1 1 10 3368 1 1 6 ARG HH22 H 7.600 -4.369 -5.428 1.00 . A A . 64 ARG HH22 1 1 10 3369 1 1 6 ARG N N 0.347 -6.571 -2.585 1.00 . A A . 64 ARG N 1 1 10 3370 1 1 6 ARG NE N 5.252 -5.209 -3.442 1.00 . A A . 64 ARG NE 1 1 10 3371 1 1 6 ARG NH1 N 5.660 -3.199 -4.440 1.00 . A A . 64 ARG NH1 1 1 10 3372 1 1 6 ARG NH2 N 7.044 -4.943 -4.827 1.00 . A A . 64 ARG NH2 1 1 10 3373 1 1 6 ARG O O 1.921 -7.474 -5.621 1.00 . A A . 64 ARG O 1 1 10 3374 1 1 7 MET C C -2.058 -7.332 -6.846 1.00 . A A . 65 MET C 1 1 10 3375 1 1 7 MET CA C -0.705 -7.871 -6.385 1.00 . A A . 65 MET CA 1 1 10 3376 1 1 7 MET CB C -0.807 -9.381 -6.131 1.00 . A A . 65 MET CB 1 1 10 3377 1 1 7 MET CE C 0.494 -10.823 -9.765 1.00 . A A . 65 MET CE 1 1 10 3378 1 1 7 MET CG C -0.776 -10.139 -7.463 1.00 . A A . 65 MET CG 1 1 10 3379 1 1 7 MET H H -0.943 -6.843 -4.535 1.00 . A A . 65 MET H 1 1 10 3380 1 1 7 MET HA H 0.022 -7.693 -7.165 1.00 . A A . 65 MET HA 1 1 10 3381 1 1 7 MET HB2 H 0.024 -9.698 -5.520 1.00 . A A . 65 MET HB2 1 1 10 3382 1 1 7 MET HB3 H -1.732 -9.600 -5.618 1.00 . A A . 65 MET HB3 1 1 10 3383 1 1 7 MET HE1 H -0.341 -10.320 -10.231 1.00 . A A . 65 MET HE1 1 1 10 3384 1 1 7 MET HE2 H 0.235 -11.855 -9.590 1.00 . A A . 65 MET HE2 1 1 10 3385 1 1 7 MET HE3 H 1.357 -10.774 -10.413 1.00 . A A . 65 MET HE3 1 1 10 3386 1 1 7 MET HG2 H -1.017 -11.183 -7.289 1.00 . A A . 65 MET HG2 1 1 10 3387 1 1 7 MET HG3 H -1.501 -9.703 -8.143 1.00 . A A . 65 MET HG3 1 1 10 3388 1 1 7 MET N N -0.268 -7.193 -5.163 1.00 . A A . 65 MET N 1 1 10 3389 1 1 7 MET O O -2.167 -6.767 -7.933 1.00 . A A . 65 MET O 1 1 10 3390 1 1 7 MET SD S 0.877 -10.019 -8.190 1.00 . A A . 65 MET SD 1 1 10 3391 1 1 8 LEU C C -5.007 -6.211 -5.194 1.00 . A A . 66 LEU C 1 1 10 3392 1 1 8 LEU CA C -4.429 -7.013 -6.354 1.00 . A A . 66 LEU CA 1 1 10 3393 1 1 8 LEU CB C -5.345 -8.202 -6.659 1.00 . A A . 66 LEU CB 1 1 10 3394 1 1 8 LEU CD1 C -5.600 -10.294 -8.008 1.00 . A A . 66 LEU CD1 1 1 10 3395 1 1 8 LEU CD2 C -4.854 -8.182 -9.136 1.00 . A A . 66 LEU CD2 1 1 10 3396 1 1 8 LEU CG C -4.782 -9.010 -7.840 1.00 . A A . 66 LEU CG 1 1 10 3397 1 1 8 LEU H H -2.942 -7.950 -5.159 1.00 . A A . 66 LEU H 1 1 10 3398 1 1 8 LEU HA H -4.386 -6.374 -7.223 1.00 . A A . 66 LEU HA 1 1 10 3399 1 1 8 LEU HB2 H -5.405 -8.839 -5.787 1.00 . A A . 66 LEU HB2 1 1 10 3400 1 1 8 LEU HB3 H -6.331 -7.843 -6.908 1.00 . A A . 66 LEU HB3 1 1 10 3401 1 1 8 LEU HD11 H -5.270 -10.816 -8.893 1.00 . A A . 66 LEU HD11 1 1 10 3402 1 1 8 LEU HD12 H -6.645 -10.044 -8.105 1.00 . A A . 66 LEU HD12 1 1 10 3403 1 1 8 LEU HD13 H -5.460 -10.926 -7.143 1.00 . A A . 66 LEU HD13 1 1 10 3404 1 1 8 LEU HD21 H -4.002 -7.522 -9.190 1.00 . A A . 66 LEU HD21 1 1 10 3405 1 1 8 LEU HD22 H -5.763 -7.600 -9.149 1.00 . A A . 66 LEU HD22 1 1 10 3406 1 1 8 LEU HD23 H -4.843 -8.844 -9.991 1.00 . A A . 66 LEU HD23 1 1 10 3407 1 1 8 LEU HG H -3.752 -9.269 -7.634 1.00 . A A . 66 LEU HG 1 1 10 3408 1 1 8 LEU N N -3.086 -7.499 -6.017 1.00 . A A . 66 LEU N 1 1 10 3409 1 1 8 LEU O O -6.051 -6.563 -4.644 1.00 . A A . 66 LEU O 1 1 10 3410 1 1 9 PRO C C -6.037 -3.440 -4.090 1.00 . A A . 67 PRO C 1 1 10 3411 1 1 9 PRO CA C -4.813 -4.270 -3.705 1.00 . A A . 67 PRO CA 1 1 10 3412 1 1 9 PRO CB C -3.597 -3.379 -3.418 1.00 . A A . 67 PRO CB 1 1 10 3413 1 1 9 PRO CD C -3.095 -4.648 -5.415 1.00 . A A . 67 PRO CD 1 1 10 3414 1 1 9 PRO CG C -2.878 -3.295 -4.728 1.00 . A A . 67 PRO CG 1 1 10 3415 1 1 9 PRO HA H -5.035 -4.874 -2.842 1.00 . A A . 67 PRO HA 1 1 10 3416 1 1 9 PRO HB2 H -3.916 -2.390 -3.090 1.00 . A A . 67 PRO HB2 1 1 10 3417 1 1 9 PRO HB3 H -2.961 -3.841 -2.672 1.00 . A A . 67 PRO HB3 1 1 10 3418 1 1 9 PRO HD2 H -3.200 -4.517 -6.484 1.00 . A A . 67 PRO HD2 1 1 10 3419 1 1 9 PRO HD3 H -2.285 -5.326 -5.191 1.00 . A A . 67 PRO HD3 1 1 10 3420 1 1 9 PRO HG2 H -3.300 -2.493 -5.333 1.00 . A A . 67 PRO HG2 1 1 10 3421 1 1 9 PRO HG3 H -1.817 -3.131 -4.567 1.00 . A A . 67 PRO HG3 1 1 10 3422 1 1 9 PRO N N -4.351 -5.143 -4.819 1.00 . A A . 67 PRO N 1 1 10 3423 1 1 9 PRO O O -6.782 -2.975 -3.228 1.00 . A A . 67 PRO O 1 1 10 3424 1 1 10 GLN C C -8.389 -3.397 -6.546 1.00 . A A . 68 GLN C 1 1 10 3425 1 1 10 GLN CA C -7.371 -2.477 -5.892 1.00 . A A . 68 GLN CA 1 1 10 3426 1 1 10 GLN CB C -6.899 -1.441 -6.906 1.00 . A A . 68 GLN CB 1 1 10 3427 1 1 10 GLN CD C -5.467 0.585 -7.233 1.00 . A A . 68 GLN CD 1 1 10 3428 1 1 10 GLN CG C -5.911 -0.483 -6.238 1.00 . A A . 68 GLN CG 1 1 10 3429 1 1 10 GLN H H -5.606 -3.647 -6.033 1.00 . A A . 68 GLN H 1 1 10 3430 1 1 10 GLN HA H -7.848 -1.962 -5.069 1.00 . A A . 68 GLN HA 1 1 10 3431 1 1 10 GLN HB2 H -6.415 -1.943 -7.737 1.00 . A A . 68 GLN HB2 1 1 10 3432 1 1 10 GLN HB3 H -7.758 -0.880 -7.262 1.00 . A A . 68 GLN HB3 1 1 10 3433 1 1 10 GLN HE21 H -3.533 0.163 -7.037 1.00 . A A . 68 GLN HE21 1 1 10 3434 1 1 10 GLN HE22 H -3.904 1.428 -8.130 1.00 . A A . 68 GLN HE22 1 1 10 3435 1 1 10 GLN HG2 H -6.388 -0.010 -5.392 1.00 . A A . 68 GLN HG2 1 1 10 3436 1 1 10 GLN HG3 H -5.049 -1.037 -5.899 1.00 . A A . 68 GLN HG3 1 1 10 3437 1 1 10 GLN N N -6.236 -3.255 -5.393 1.00 . A A . 68 GLN N 1 1 10 3438 1 1 10 GLN NE2 N -4.197 0.738 -7.488 1.00 . A A . 68 GLN NE2 1 1 10 3439 1 1 10 GLN O O -8.938 -3.086 -7.603 1.00 . A A . 68 GLN O 1 1 10 3440 1 1 10 GLN OE1 O -6.300 1.299 -7.790 1.00 . A A . 68 GLN OE1 1 1 10 3441 1 1 11 LEU C C -9.880 -6.571 -5.388 1.00 . A A . 69 LEU C 1 1 10 3442 1 1 11 LEU CA C -9.589 -5.497 -6.433 1.00 . A A . 69 LEU CA 1 1 10 3443 1 1 11 LEU CB C -9.035 -6.139 -7.720 1.00 . A A . 69 LEU CB 1 1 10 3444 1 1 11 LEU CD1 C -9.604 -7.055 -9.978 1.00 . A A . 69 LEU CD1 1 1 10 3445 1 1 11 LEU CD2 C -10.985 -7.690 -7.992 1.00 . A A . 69 LEU CD2 1 1 10 3446 1 1 11 LEU CG C -10.182 -6.563 -8.648 1.00 . A A . 69 LEU CG 1 1 10 3447 1 1 11 LEU H H -8.163 -4.728 -5.072 1.00 . A A . 69 LEU H 1 1 10 3448 1 1 11 LEU HA H -10.510 -4.979 -6.661 1.00 . A A . 69 LEU HA 1 1 10 3449 1 1 11 LEU HB2 H -8.413 -5.421 -8.233 1.00 . A A . 69 LEU HB2 1 1 10 3450 1 1 11 LEU HB3 H -8.441 -7.007 -7.470 1.00 . A A . 69 LEU HB3 1 1 10 3451 1 1 11 LEU HD11 H -10.411 -7.333 -10.640 1.00 . A A . 69 LEU HD11 1 1 10 3452 1 1 11 LEU HD12 H -8.972 -7.912 -9.799 1.00 . A A . 69 LEU HD12 1 1 10 3453 1 1 11 LEU HD13 H -9.022 -6.266 -10.431 1.00 . A A . 69 LEU HD13 1 1 10 3454 1 1 11 LEU HD21 H -10.308 -8.417 -7.570 1.00 . A A . 69 LEU HD21 1 1 10 3455 1 1 11 LEU HD22 H -11.609 -8.168 -8.734 1.00 . A A . 69 LEU HD22 1 1 10 3456 1 1 11 LEU HD23 H -11.608 -7.281 -7.210 1.00 . A A . 69 LEU HD23 1 1 10 3457 1 1 11 LEU HG H -10.829 -5.717 -8.833 1.00 . A A . 69 LEU HG 1 1 10 3458 1 1 11 LEU N N -8.636 -4.532 -5.909 1.00 . A A . 69 LEU N 1 1 10 3459 1 1 11 LEU O O -10.982 -6.622 -4.842 1.00 . A A . 69 LEU O 1 1 10 3460 1 1 12 VAL C C -9.337 -7.797 -2.731 1.00 . A A . 70 VAL C 1 1 10 3461 1 1 12 VAL CA C -9.119 -8.450 -4.088 1.00 . A A . 70 VAL CA 1 1 10 3462 1 1 12 VAL CB C -7.920 -9.395 -4.024 1.00 . A A . 70 VAL CB 1 1 10 3463 1 1 12 VAL CG1 C -8.086 -10.350 -2.839 1.00 . A A . 70 VAL CG1 1 1 10 3464 1 1 12 VAL CG2 C -7.846 -10.202 -5.321 1.00 . A A . 70 VAL CG2 1 1 10 3465 1 1 12 VAL H H -8.025 -7.337 -5.531 1.00 . A A . 70 VAL H 1 1 10 3466 1 1 12 VAL HA H -10.000 -9.016 -4.352 1.00 . A A . 70 VAL HA 1 1 10 3467 1 1 12 VAL HB H -7.012 -8.818 -3.901 1.00 . A A . 70 VAL HB 1 1 10 3468 1 1 12 VAL HG11 H -9.090 -10.749 -2.838 1.00 . A A . 70 VAL HG11 1 1 10 3469 1 1 12 VAL HG12 H -7.914 -9.813 -1.917 1.00 . A A . 70 VAL HG12 1 1 10 3470 1 1 12 VAL HG13 H -7.377 -11.159 -2.924 1.00 . A A . 70 VAL HG13 1 1 10 3471 1 1 12 VAL HG21 H -8.699 -10.862 -5.383 1.00 . A A . 70 VAL HG21 1 1 10 3472 1 1 12 VAL HG22 H -6.938 -10.785 -5.333 1.00 . A A . 70 VAL HG22 1 1 10 3473 1 1 12 VAL HG23 H -7.853 -9.527 -6.165 1.00 . A A . 70 VAL HG23 1 1 10 3474 1 1 12 VAL N N -8.899 -7.418 -5.091 1.00 . A A . 70 VAL N 1 1 10 3475 1 1 12 VAL O O -10.315 -8.076 -2.039 1.00 . A A . 70 VAL O 1 1 10 3476 1 1 13 CYS C C -9.728 -5.255 -1.182 1.00 . A A . 71 CYS C 1 1 10 3477 1 1 13 CYS CA C -8.528 -6.177 -1.124 1.00 . A A . 71 CYS CA 1 1 10 3478 1 1 13 CYS CB C -7.267 -5.356 -0.875 1.00 . A A . 71 CYS CB 1 1 10 3479 1 1 13 CYS H H -7.685 -6.707 -2.980 1.00 . A A . 71 CYS H 1 1 10 3480 1 1 13 CYS HA H -8.655 -6.880 -0.317 1.00 . A A . 71 CYS HA 1 1 10 3481 1 1 13 CYS HB2 H -7.047 -4.764 -1.751 1.00 . A A . 71 CYS HB2 1 1 10 3482 1 1 13 CYS HB3 H -7.424 -4.705 -0.020 1.00 . A A . 71 CYS HB3 1 1 10 3483 1 1 13 CYS HG H -5.973 -7.231 -1.109 1.00 . A A . 71 CYS HG 1 1 10 3484 1 1 13 CYS N N -8.426 -6.899 -2.377 1.00 . A A . 71 CYS N 1 1 10 3485 1 1 13 CYS O O -10.443 -5.077 -0.201 1.00 . A A . 71 CYS O 1 1 10 3486 1 1 13 CYS SG S -5.886 -6.471 -0.531 1.00 . A A . 71 CYS SG 1 1 10 3487 1 1 14 ARG C C -12.366 -4.457 -2.258 1.00 . A A . 72 ARG C 1 1 10 3488 1 1 14 ARG CA C -11.046 -3.739 -2.523 1.00 . A A . 72 ARG CA 1 1 10 3489 1 1 14 ARG CB C -11.036 -3.172 -3.948 1.00 . A A . 72 ARG CB 1 1 10 3490 1 1 14 ARG CD C -11.895 -0.894 -3.256 1.00 . A A . 72 ARG CD 1 1 10 3491 1 1 14 ARG CG C -12.161 -2.135 -4.125 1.00 . A A . 72 ARG CG 1 1 10 3492 1 1 14 ARG CZ C -12.316 -0.137 -0.987 1.00 . A A . 72 ARG CZ 1 1 10 3493 1 1 14 ARG H H -9.328 -4.827 -3.098 1.00 . A A . 72 ARG H 1 1 10 3494 1 1 14 ARG HA H -10.932 -2.933 -1.828 1.00 . A A . 72 ARG HA 1 1 10 3495 1 1 14 ARG HB2 H -10.082 -2.703 -4.139 1.00 . A A . 72 ARG HB2 1 1 10 3496 1 1 14 ARG HB3 H -11.184 -3.979 -4.650 1.00 . A A . 72 ARG HB3 1 1 10 3497 1 1 14 ARG HD2 H -10.834 -0.707 -3.201 1.00 . A A . 72 ARG HD2 1 1 10 3498 1 1 14 ARG HD3 H -12.380 -0.037 -3.703 1.00 . A A . 72 ARG HD3 1 1 10 3499 1 1 14 ARG HE H -12.845 -1.942 -1.674 1.00 . A A . 72 ARG HE 1 1 10 3500 1 1 14 ARG HG2 H -12.205 -1.840 -5.164 1.00 . A A . 72 ARG HG2 1 1 10 3501 1 1 14 ARG HG3 H -13.106 -2.572 -3.843 1.00 . A A . 72 ARG HG3 1 1 10 3502 1 1 14 ARG HH11 H -11.401 1.157 -2.210 1.00 . A A . 72 ARG HH11 1 1 10 3503 1 1 14 ARG HH12 H -11.677 1.719 -0.595 1.00 . A A . 72 ARG HH12 1 1 10 3504 1 1 14 ARG HH21 H -13.208 -1.211 0.447 1.00 . A A . 72 ARG HH21 1 1 10 3505 1 1 14 ARG HH22 H -12.700 0.379 0.908 1.00 . A A . 72 ARG HH22 1 1 10 3506 1 1 14 ARG N N -9.937 -4.656 -2.349 1.00 . A A . 72 ARG N 1 1 10 3507 1 1 14 ARG NE N -12.419 -1.090 -1.907 1.00 . A A . 72 ARG NE 1 1 10 3508 1 1 14 ARG NH1 N -11.754 1.001 -1.289 1.00 . A A . 72 ARG NH1 1 1 10 3509 1 1 14 ARG NH2 N -12.778 -0.339 0.218 1.00 . A A . 72 ARG NH2 1 1 10 3510 1 1 14 ARG O O -13.204 -3.974 -1.501 1.00 . A A . 72 ARG O 1 1 10 3511 1 1 15 LEU C C -13.848 -6.903 -1.254 1.00 . A A . 73 LEU C 1 1 10 3512 1 1 15 LEU CA C -13.754 -6.398 -2.689 1.00 . A A . 73 LEU CA 1 1 10 3513 1 1 15 LEU CB C -13.766 -7.578 -3.664 1.00 . A A . 73 LEU CB 1 1 10 3514 1 1 15 LEU CD1 C -16.291 -7.557 -3.719 1.00 . A A . 73 LEU CD1 1 1 10 3515 1 1 15 LEU CD2 C -15.010 -9.564 -4.481 1.00 . A A . 73 LEU CD2 1 1 10 3516 1 1 15 LEU CG C -15.038 -8.417 -3.476 1.00 . A A . 73 LEU CG 1 1 10 3517 1 1 15 LEU H H -11.828 -5.962 -3.456 1.00 . A A . 73 LEU H 1 1 10 3518 1 1 15 LEU HA H -14.603 -5.771 -2.898 1.00 . A A . 73 LEU HA 1 1 10 3519 1 1 15 LEU HB2 H -13.735 -7.201 -4.681 1.00 . A A . 73 LEU HB2 1 1 10 3520 1 1 15 LEU HB3 H -12.897 -8.202 -3.479 1.00 . A A . 73 LEU HB3 1 1 10 3521 1 1 15 LEU HD11 H -17.121 -8.192 -4.002 1.00 . A A . 73 LEU HD11 1 1 10 3522 1 1 15 LEU HD12 H -16.098 -6.847 -4.510 1.00 . A A . 73 LEU HD12 1 1 10 3523 1 1 15 LEU HD13 H -16.545 -7.026 -2.813 1.00 . A A . 73 LEU HD13 1 1 10 3524 1 1 15 LEU HD21 H -14.791 -9.171 -5.463 1.00 . A A . 73 LEU HD21 1 1 10 3525 1 1 15 LEU HD22 H -15.969 -10.056 -4.495 1.00 . A A . 73 LEU HD22 1 1 10 3526 1 1 15 LEU HD23 H -14.244 -10.271 -4.199 1.00 . A A . 73 LEU HD23 1 1 10 3527 1 1 15 LEU HG H -15.066 -8.820 -2.475 1.00 . A A . 73 LEU HG 1 1 10 3528 1 1 15 LEU N N -12.536 -5.618 -2.876 1.00 . A A . 73 LEU N 1 1 10 3529 1 1 15 LEU O O -14.902 -6.831 -0.623 1.00 . A A . 73 LEU O 1 1 10 3530 1 1 16 VAL C C -12.911 -6.881 1.645 1.00 . A A . 74 VAL C 1 1 10 3531 1 1 16 VAL CA C -12.676 -7.964 0.594 1.00 . A A . 74 VAL CA 1 1 10 3532 1 1 16 VAL CB C -11.311 -8.625 0.809 1.00 . A A . 74 VAL CB 1 1 10 3533 1 1 16 VAL CG1 C -11.126 -8.973 2.293 1.00 . A A . 74 VAL CG1 1 1 10 3534 1 1 16 VAL CG2 C -11.238 -9.912 -0.021 1.00 . A A . 74 VAL CG2 1 1 10 3535 1 1 16 VAL H H -11.933 -7.463 -1.322 1.00 . A A . 74 VAL H 1 1 10 3536 1 1 16 VAL HA H -13.442 -8.719 0.699 1.00 . A A . 74 VAL HA 1 1 10 3537 1 1 16 VAL HB H -10.533 -7.944 0.489 1.00 . A A . 74 VAL HB 1 1 10 3538 1 1 16 VAL HG11 H -10.926 -8.069 2.853 1.00 . A A . 74 VAL HG11 1 1 10 3539 1 1 16 VAL HG12 H -10.298 -9.656 2.404 1.00 . A A . 74 VAL HG12 1 1 10 3540 1 1 16 VAL HG13 H -12.027 -9.434 2.668 1.00 . A A . 74 VAL HG13 1 1 10 3541 1 1 16 VAL HG21 H -10.210 -10.236 -0.095 1.00 . A A . 74 VAL HG21 1 1 10 3542 1 1 16 VAL HG22 H -11.630 -9.726 -1.010 1.00 . A A . 74 VAL HG22 1 1 10 3543 1 1 16 VAL HG23 H -11.825 -10.683 0.456 1.00 . A A . 74 VAL HG23 1 1 10 3544 1 1 16 VAL N N -12.734 -7.427 -0.759 1.00 . A A . 74 VAL N 1 1 10 3545 1 1 16 VAL O O -13.701 -7.071 2.570 1.00 . A A . 74 VAL O 1 1 10 3546 1 1 17 LEU C C -13.834 -4.179 2.459 1.00 . A A . 75 LEU C 1 1 10 3547 1 1 17 LEU CA C -12.395 -4.673 2.479 1.00 . A A . 75 LEU CA 1 1 10 3548 1 1 17 LEU CB C -11.442 -3.515 2.164 1.00 . A A . 75 LEU CB 1 1 10 3549 1 1 17 LEU CD1 C -9.044 -2.858 1.915 1.00 . A A . 75 LEU CD1 1 1 10 3550 1 1 17 LEU CD2 C -9.783 -4.032 4.010 1.00 . A A . 75 LEU CD2 1 1 10 3551 1 1 17 LEU CG C -9.992 -3.918 2.484 1.00 . A A . 75 LEU CG 1 1 10 3552 1 1 17 LEU H H -11.606 -5.641 0.761 1.00 . A A . 75 LEU H 1 1 10 3553 1 1 17 LEU HA H -12.177 -5.051 3.464 1.00 . A A . 75 LEU HA 1 1 10 3554 1 1 17 LEU HB2 H -11.520 -3.270 1.109 1.00 . A A . 75 LEU HB2 1 1 10 3555 1 1 17 LEU HB3 H -11.717 -2.650 2.759 1.00 . A A . 75 LEU HB3 1 1 10 3556 1 1 17 LEU HD11 H -8.034 -3.072 2.230 1.00 . A A . 75 LEU HD11 1 1 10 3557 1 1 17 LEU HD12 H -9.337 -1.882 2.277 1.00 . A A . 75 LEU HD12 1 1 10 3558 1 1 17 LEU HD13 H -9.095 -2.871 0.836 1.00 . A A . 75 LEU HD13 1 1 10 3559 1 1 17 LEU HD21 H -10.051 -5.026 4.336 1.00 . A A . 75 LEU HD21 1 1 10 3560 1 1 17 LEU HD22 H -10.395 -3.308 4.525 1.00 . A A . 75 LEU HD22 1 1 10 3561 1 1 17 LEU HD23 H -8.743 -3.852 4.250 1.00 . A A . 75 LEU HD23 1 1 10 3562 1 1 17 LEU HG H -9.777 -4.871 2.022 1.00 . A A . 75 LEU HG 1 1 10 3563 1 1 17 LEU N N -12.225 -5.749 1.511 1.00 . A A . 75 LEU N 1 1 10 3564 1 1 17 LEU O O -14.445 -3.975 3.508 1.00 . A A . 75 LEU O 1 1 10 3565 1 1 18 ARG C C -16.706 -4.621 1.704 1.00 . A A . 76 ARG C 1 1 10 3566 1 1 18 ARG CA C -15.758 -3.578 1.124 1.00 . A A . 76 ARG CA 1 1 10 3567 1 1 18 ARG CB C -16.091 -3.321 -0.346 1.00 . A A . 76 ARG CB 1 1 10 3568 1 1 18 ARG CD C -15.640 -1.842 -2.310 1.00 . A A . 76 ARG CD 1 1 10 3569 1 1 18 ARG CG C -15.385 -2.047 -0.814 1.00 . A A . 76 ARG CG 1 1 10 3570 1 1 18 ARG CZ C -15.075 -0.233 -4.038 1.00 . A A . 76 ARG CZ 1 1 10 3571 1 1 18 ARG H H -13.851 -4.214 0.459 1.00 . A A . 76 ARG H 1 1 10 3572 1 1 18 ARG HA H -15.880 -2.660 1.674 1.00 . A A . 76 ARG HA 1 1 10 3573 1 1 18 ARG HB2 H -15.752 -4.159 -0.939 1.00 . A A . 76 ARG HB2 1 1 10 3574 1 1 18 ARG HB3 H -17.157 -3.205 -0.460 1.00 . A A . 76 ARG HB3 1 1 10 3575 1 1 18 ARG HD2 H -15.235 -2.677 -2.859 1.00 . A A . 76 ARG HD2 1 1 10 3576 1 1 18 ARG HD3 H -16.706 -1.784 -2.484 1.00 . A A . 76 ARG HD3 1 1 10 3577 1 1 18 ARG HE H -14.520 -0.053 -2.124 1.00 . A A . 76 ARG HE 1 1 10 3578 1 1 18 ARG HG2 H -15.772 -1.201 -0.265 1.00 . A A . 76 ARG HG2 1 1 10 3579 1 1 18 ARG HG3 H -14.325 -2.131 -0.639 1.00 . A A . 76 ARG HG3 1 1 10 3580 1 1 18 ARG HH11 H -16.162 -1.817 -4.608 1.00 . A A . 76 ARG HH11 1 1 10 3581 1 1 18 ARG HH12 H -15.771 -0.685 -5.860 1.00 . A A . 76 ARG HH12 1 1 10 3582 1 1 18 ARG HH21 H -14.005 1.436 -3.760 1.00 . A A . 76 ARG HH21 1 1 10 3583 1 1 18 ARG HH22 H -14.551 1.157 -5.380 1.00 . A A . 76 ARG HH22 1 1 10 3584 1 1 18 ARG N N -14.379 -4.015 1.261 1.00 . A A . 76 ARG N 1 1 10 3585 1 1 18 ARG NE N -15.005 -0.611 -2.766 1.00 . A A . 76 ARG NE 1 1 10 3586 1 1 18 ARG NH1 N -15.719 -0.969 -4.904 1.00 . A A . 76 ARG NH1 1 1 10 3587 1 1 18 ARG NH2 N -14.499 0.872 -4.424 1.00 . A A . 76 ARG NH2 1 1 10 3588 1 1 18 ARG O O -17.697 -4.286 2.353 1.00 . A A . 76 ARG O 1 1 10 3589 1 1 19 CYS C C -17.272 -6.970 3.483 1.00 . A A . 77 CYS C 1 1 10 3590 1 1 19 CYS CA C -17.214 -6.984 1.957 1.00 . A A . 77 CYS CA 1 1 10 3591 1 1 19 CYS CB C -16.642 -8.319 1.477 1.00 . A A . 77 CYS CB 1 1 10 3592 1 1 19 CYS H H -15.590 -6.094 0.938 1.00 . A A . 77 CYS H 1 1 10 3593 1 1 19 CYS HA H -18.216 -6.875 1.568 1.00 . A A . 77 CYS HA 1 1 10 3594 1 1 19 CYS HB2 H -16.620 -8.331 0.392 1.00 . A A . 77 CYS HB2 1 1 10 3595 1 1 19 CYS HB3 H -15.637 -8.441 1.869 1.00 . A A . 77 CYS HB3 1 1 10 3596 1 1 19 CYS HG H -18.410 -9.279 2.573 1.00 . A A . 77 CYS HG 1 1 10 3597 1 1 19 CYS N N -16.392 -5.890 1.461 1.00 . A A . 77 CYS N 1 1 10 3598 1 1 19 CYS O O -18.346 -7.081 4.074 1.00 . A A . 77 CYS O 1 1 10 3599 1 1 19 CYS SG S -17.690 -9.666 2.073 1.00 . A A . 77 CYS SG 1 1 10 3600 1 1 20 SER C C -16.829 -5.639 6.132 1.00 . A A . 78 SER C 1 1 10 3601 1 1 20 SER CA C -16.038 -6.815 5.568 1.00 . A A . 78 SER CA 1 1 10 3602 1 1 20 SER CB C -14.579 -6.711 6.017 1.00 . A A . 78 SER CB 1 1 10 3603 1 1 20 SER H H -15.285 -6.756 3.587 1.00 . A A . 78 SER H 1 1 10 3604 1 1 20 SER HA H -16.455 -7.733 5.954 1.00 . A A . 78 SER HA 1 1 10 3605 1 1 20 SER HB2 H -14.028 -7.571 5.657 1.00 . A A . 78 SER HB2 1 1 10 3606 1 1 20 SER HB3 H -14.143 -5.801 5.611 1.00 . A A . 78 SER HB3 1 1 10 3607 1 1 20 SER HG H -13.837 -6.071 7.698 1.00 . A A . 78 SER HG 1 1 10 3608 1 1 20 SER N N -16.109 -6.837 4.112 1.00 . A A . 78 SER N 1 1 10 3609 1 1 20 SER O O -17.568 -5.785 7.104 1.00 . A A . 78 SER O 1 1 10 3610 1 1 20 SER OG O -14.528 -6.685 7.437 1.00 . A A . 78 SER OG 1 1 10 3611 1 1 21 MET C C -17.549 -2.288 4.813 1.00 . A A . 79 MET C 1 1 10 3612 1 1 21 MET CA C -17.370 -3.270 5.965 1.00 . A A . 79 MET CA 1 1 10 3613 1 1 21 MET CB C -16.587 -2.604 7.100 1.00 . A A . 79 MET CB 1 1 10 3614 1 1 21 MET CE C -13.914 -3.058 8.826 1.00 . A A . 79 MET CE 1 1 10 3615 1 1 21 MET CG C -15.215 -2.156 6.589 1.00 . A A . 79 MET CG 1 1 10 3616 1 1 21 MET H H -16.062 -4.412 4.745 1.00 . A A . 79 MET H 1 1 10 3617 1 1 21 MET HA H -18.345 -3.552 6.335 1.00 . A A . 79 MET HA 1 1 10 3618 1 1 21 MET HB2 H -17.138 -1.739 7.457 1.00 . A A . 79 MET HB2 1 1 10 3619 1 1 21 MET HB3 H -16.455 -3.315 7.909 1.00 . A A . 79 MET HB3 1 1 10 3620 1 1 21 MET HE1 H -14.736 -3.279 9.492 1.00 . A A . 79 MET HE1 1 1 10 3621 1 1 21 MET HE2 H -13.005 -2.973 9.398 1.00 . A A . 79 MET HE2 1 1 10 3622 1 1 21 MET HE3 H -13.806 -3.854 8.103 1.00 . A A . 79 MET HE3 1 1 10 3623 1 1 21 MET HG2 H -14.701 -2.996 6.149 1.00 . A A . 79 MET HG2 1 1 10 3624 1 1 21 MET HG3 H -15.343 -1.385 5.843 1.00 . A A . 79 MET HG3 1 1 10 3625 1 1 21 MET N N -16.665 -4.470 5.515 1.00 . A A . 79 MET N 1 1 10 3626 1 1 21 MET O O -16.853 -2.369 3.800 1.00 . A A . 79 MET O 1 1 10 3627 1 1 21 MET SD S -14.239 -1.496 7.968 1.00 . A A . 79 MET SD 1 1 10 3628 1 1 22 ASP C C -19.269 0.935 4.570 1.00 . A A . 80 ASP C 1 1 10 3629 1 1 22 ASP CA C -18.753 -0.356 3.942 1.00 . A A . 80 ASP CA 1 1 10 3630 1 1 22 ASP CB C -19.787 -0.893 2.950 1.00 . A A . 80 ASP CB 1 1 10 3631 1 1 22 ASP CG C -21.124 -1.107 3.652 1.00 . A A . 80 ASP CG 1 1 10 3632 1 1 22 ASP H H -19.008 -1.342 5.804 1.00 . A A . 80 ASP H 1 1 10 3633 1 1 22 ASP HA H -17.838 -0.142 3.408 1.00 . A A . 80 ASP HA 1 1 10 3634 1 1 22 ASP HB2 H -19.914 -0.184 2.145 1.00 . A A . 80 ASP HB2 1 1 10 3635 1 1 22 ASP HB3 H -19.443 -1.834 2.547 1.00 . A A . 80 ASP HB3 1 1 10 3636 1 1 22 ASP N N -18.485 -1.357 4.974 1.00 . A A . 80 ASP N 1 1 10 3637 1 1 22 ASP O O -19.301 1.007 5.786 1.00 . A A . 80 ASP O 1 1 10 3638 1 1 22 ASP OXT O -19.624 1.833 3.824 1.00 . A A . 80 ASP OXT 1 1 10 3639 1 1 22 ASP OD1 O -21.206 -0.812 4.834 1.00 . A A . 80 ASP OD1 1 1 10 3640 1 1 22 ASP OD2 O -22.047 -1.564 3.000 1.00 . A A . 80 ASP OD2 1 1 stop_ save_
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