NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
400756 | 1v6r | 6070 | cing | 4-filtered-FRED | STAR | entry | full | 291 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1v6r # This FRED archive file contains, for PDB entry <1v6r>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1v6r _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1v6r _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 2489.89 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 $Endothelin_1 A . 1 1 stop_ save_ save_Endothelin_1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Endothelin 1" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code CSCSSLMDKECVYFCHLDIIW _Entity.Number_of_monomers 21 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 CYS . 1 1 2 SER . 1 1 3 CYS . 1 1 4 SER . 1 1 5 SER . 1 1 6 LEU . 1 1 7 MET . 1 1 8 ASP . 1 1 9 LYS . 1 1 10 GLU . 1 1 11 CYS . 1 1 12 VAL . 1 1 13 TYR . 1 1 14 PHE . 1 1 15 CYS . 1 1 16 HIS . 1 1 17 LEU . 1 1 18 ASP . 1 1 19 ILE . 1 1 20 ILE . 1 1 21 TRP . 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 CYS 1 1 1 1 SER 2 2 1 1 CYS 3 3 1 1 SER 4 4 1 1 SER 5 5 1 1 LEU 6 6 1 1 MET 7 7 1 1 ASP 8 8 1 1 LYS 9 9 1 1 GLU 10 10 1 1 CYS 11 11 1 1 VAL 12 12 1 1 TYR 13 13 1 1 PHE 14 14 1 1 CYS 15 15 1 1 HIS 16 16 1 1 LEU 17 17 1 1 ASP 18 18 1 1 ILE 19 19 1 1 ILE 20 20 1 1 TRP 21 21 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type "general distance" _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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 CYS HA . 1 . HA 1 1 1 1 2 1 1 2 SER H . 2 . HN 1 1 2 1 1 1 1 1 CYS HA . 1 . HA 1 1 2 1 2 1 1 2 SER HA . 2 . HA 1 1 3 1 1 1 1 1 CYS HA . 1 . HA 1 1 3 1 2 1 1 2 SER QB . 2 . HB# 1 1 4 1 1 1 1 1 CYS QB . 1 . HB# 1 1 4 1 2 1 1 2 SER H . 2 . HN 1 1 5 1 1 1 1 1 CYS QB . 1 . HB# 1 1 5 1 2 1 1 2 SER QB . 2 . HB# 1 1 6 1 1 1 1 2 SER H . 2 . HN 1 1 6 1 2 1 1 2 SER HA . 2 . HA 1 1 7 1 1 1 1 2 SER H . 2 . HN 1 1 7 1 2 1 1 2 SER QB . 2 . HB# 1 1 8 1 1 1 1 2 SER H . 2 . HN 1 1 8 1 2 1 1 3 CYS H . 3 . HN 1 1 9 1 1 1 1 2 SER H . 2 . HN 1 1 9 1 2 1 1 6 LEU QD . 6 . HD1# 1 1 10 1 1 1 1 2 SER HA . 2 . HA 1 1 10 1 2 1 1 3 CYS H . 3 . HN 1 1 11 1 1 1 1 2 SER HA . 2 . HA 1 1 11 1 2 1 1 3 CYS HB2 . 3 . HB2 1 1 12 1 1 1 1 2 SER HA . 2 . HA 1 1 12 1 2 1 1 3 CYS HB3 . 3 . HB1 1 1 13 1 1 1 1 2 SER HA . 2 . HA 1 1 13 1 2 1 1 6 LEU QD . 6 . HD1# 1 1 14 1 1 1 1 2 SER QB . 2 . HB# 1 1 14 1 2 1 1 3 CYS H . 3 . HN 1 1 15 1 1 1 1 2 SER QB . 2 . HB# 1 1 15 1 2 1 1 3 CYS HB2 . 3 . HB2 1 1 16 1 1 1 1 2 SER QB . 2 . HB# 1 1 16 1 2 1 1 3 CYS HB3 . 3 . HB1 1 1 17 1 1 1 1 2 SER QB . 2 . HB# 1 1 17 1 2 1 1 6 LEU QD . 6 . HD1# 1 1 18 1 1 1 1 3 CYS H . 3 . HN 1 1 18 1 2 1 1 3 CYS HA . 3 . HA 1 1 19 1 1 1 1 3 CYS H . 3 . HN 1 1 19 1 2 1 1 3 CYS HB2 . 3 . HB2 1 1 20 1 1 1 1 3 CYS H . 3 . HN 1 1 20 1 2 1 1 3 CYS HB3 . 3 . HB1 1 1 21 1 1 1 1 3 CYS H . 3 . HN 1 1 21 1 2 1 1 4 SER H . 4 . HN 1 1 22 1 1 1 1 3 CYS HA . 3 . HA 1 1 22 1 2 1 1 4 SER H . 4 . HN 1 1 23 1 1 1 1 3 CYS HA . 3 . HA 1 1 23 1 2 1 1 5 SER H . 5 . HN 1 1 24 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1 24 1 2 1 1 4 SER H . 4 . HN 1 1 25 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1 25 1 2 1 1 5 SER H . 5 . HN 1 1 26 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1 26 1 2 1 1 11 CYS HA . 11 . HA 1 1 27 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1 27 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 28 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1 28 1 2 1 1 4 SER H . 4 . HN 1 1 29 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1 29 1 2 1 1 5 SER H . 5 . HN 1 1 30 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1 30 1 2 1 1 11 CYS HA . 11 . HA 1 1 31 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1 31 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 32 1 1 1 1 4 SER H . 4 . HN 1 1 32 1 2 1 1 4 SER HA . 4 . HA 1 1 33 1 1 1 1 4 SER H . 4 . HN 1 1 33 1 2 1 1 4 SER HB2 . 4 . HB2 1 1 34 1 1 1 1 4 SER H . 4 . HN 1 1 34 1 2 1 1 4 SER HB3 . 4 . HB1 1 1 35 1 1 1 1 4 SER H . 4 . HN 1 1 35 1 2 1 1 5 SER H . 5 . HN 1 1 36 1 1 1 1 4 SER H . 4 . HN 1 1 36 1 2 1 1 6 LEU QD . 6 . HD1# 1 1 37 1 1 1 1 4 SER HA . 4 . HA 1 1 37 1 2 1 1 5 SER H . 5 . HN 1 1 38 1 1 1 1 4 SER HB2 . 4 . HB2 1 1 38 1 2 1 1 5 SER H . 5 . HN 1 1 39 1 1 1 1 5 SER H . 5 . HN 1 1 39 1 2 1 1 5 SER HA . 5 . HA 1 1 40 1 1 1 1 5 SER H . 5 . HN 1 1 40 1 2 1 1 5 SER HB2 . 5 . HB2 1 1 41 1 1 1 1 5 SER H . 5 . HN 1 1 41 1 2 1 1 5 SER HB3 . 5 . HB1 1 1 42 1 1 1 1 5 SER H . 5 . HN 1 1 42 1 2 1 1 6 LEU H . 6 . HN 1 1 43 1 1 1 1 5 SER HA . 5 . HA 1 1 43 1 2 1 1 6 LEU H . 6 . HN 1 1 44 1 1 1 1 5 SER HA . 5 . HA 1 1 44 1 2 1 1 6 LEU QD . 6 . HD1# 1 1 45 1 1 1 1 5 SER HA . 5 . HA 1 1 45 1 2 1 1 6 LEU HG . 6 . HG 1 1 46 1 1 1 1 5 SER HA . 5 . HA 1 1 46 1 2 1 1 7 MET H . 7 . HN 1 1 47 1 1 1 1 5 SER HA . 5 . HA 1 1 47 1 2 1 1 8 ASP H . 8 . HN 1 1 48 1 1 1 1 5 SER HB2 . 5 . HB2 1 1 48 1 2 1 1 6 LEU H . 6 . HN 1 1 49 1 1 1 1 5 SER HB2 . 5 . HB2 1 1 49 1 2 1 1 7 MET H . 7 . HN 1 1 50 1 1 1 1 5 SER HB3 . 5 . HB1 1 1 50 1 2 1 1 6 LEU H . 6 . HN 1 1 51 1 1 1 1 5 SER HB3 . 5 . HB1 1 1 51 1 2 1 1 7 MET H . 7 . HN 1 1 52 1 1 1 1 5 SER HB3 . 5 . HB1 1 1 52 1 2 1 1 8 ASP H . 8 . HN 1 1 53 1 1 1 1 5 SER HB3 . 5 . HB1 1 1 53 1 2 1 1 8 ASP HB2 . 8 . HB2 1 1 54 1 1 1 1 5 SER HB3 . 5 . HB1 1 1 54 1 2 1 1 8 ASP HB3 . 8 . HB1 1 1 55 1 1 1 1 6 LEU H . 6 . HN 1 1 55 1 2 1 1 6 LEU HA . 6 . HA 1 1 56 1 1 1 1 6 LEU H . 6 . HN 1 1 56 1 2 1 1 6 LEU HB2 . 6 . HB2 1 1 57 1 1 1 1 6 LEU H . 6 . HN 1 1 57 1 2 1 1 6 LEU HB3 . 6 . HB1 1 1 58 1 1 1 1 6 LEU H . 6 . HN 1 1 58 1 2 1 1 6 LEU QD . 6 . HD1# 1 1 59 1 1 1 1 6 LEU H . 6 . HN 1 1 59 1 2 1 1 7 MET H . 7 . HN 1 1 60 1 1 1 1 6 LEU H . 6 . HN 1 1 60 1 2 1 1 8 ASP H . 8 . HN 1 1 61 1 1 1 1 6 LEU HA . 6 . HA 1 1 61 1 2 1 1 6 LEU QD . 6 . HD1# 1 1 62 1 1 1 1 6 LEU HA . 6 . HA 1 1 62 1 2 1 1 7 MET H . 7 . HN 1 1 63 1 1 1 1 6 LEU HA . 6 . HA 1 1 63 1 2 1 1 8 ASP H . 8 . HN 1 1 64 1 1 1 1 6 LEU HB2 . 6 . HB2 1 1 64 1 2 1 1 7 MET H . 7 . HN 1 1 65 1 1 1 1 6 LEU HB3 . 6 . HB1 1 1 65 1 2 1 1 7 MET H . 7 . HN 1 1 66 1 1 1 1 6 LEU QD . 6 . HD1# 1 1 66 1 2 1 1 7 MET H . 7 . HN 1 1 67 1 1 1 1 7 MET H . 7 . HN 1 1 67 1 2 1 1 7 MET HA . 7 . HA 1 1 68 1 1 1 1 7 MET H . 7 . HN 1 1 68 1 2 1 1 7 MET HB2 . 7 . HB2 1 1 69 1 1 1 1 7 MET H . 7 . HN 1 1 69 1 2 1 1 7 MET HB3 . 7 . HB1 1 1 70 1 1 1 1 7 MET H . 7 . HN 1 1 70 1 2 1 1 7 MET HG2 . 7 . HG2 1 1 71 1 1 1 1 7 MET H . 7 . HN 1 1 71 1 2 1 1 7 MET HG3 . 7 . HG1 1 1 72 1 1 1 1 7 MET H . 7 . HN 1 1 72 1 2 1 1 8 ASP H . 8 . HN 1 1 73 1 1 1 1 7 MET H . 7 . HN 1 1 73 1 2 1 1 8 ASP HB2 . 8 . HB2 1 1 74 1 1 1 1 7 MET H . 7 . HN 1 1 74 1 2 1 1 8 ASP HB3 . 8 . HB1 1 1 75 1 1 1 1 7 MET H . 7 . HN 1 1 75 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 76 1 1 1 1 7 MET HA . 7 . HA 1 1 76 1 2 1 1 7 MET HG2 . 7 . HG2 1 1 77 1 1 1 1 7 MET HA . 7 . HA 1 1 77 1 2 1 1 7 MET HG3 . 7 . HG1 1 1 78 1 1 1 1 7 MET HA . 7 . HA 1 1 78 1 2 1 1 8 ASP H . 8 . HN 1 1 79 1 1 1 1 7 MET HB2 . 7 . HB2 1 1 79 1 2 1 1 8 ASP H . 8 . HN 1 1 80 1 1 1 1 7 MET HB3 . 7 . HB1 1 1 80 1 2 1 1 8 ASP H . 8 . HN 1 1 81 1 1 1 1 7 MET HG2 . 7 . HG2 1 1 81 1 2 1 1 8 ASP H . 8 . HN 1 1 82 1 1 1 1 7 MET HG3 . 7 . HG1 1 1 82 1 2 1 1 8 ASP H . 8 . HN 1 1 83 1 1 1 1 8 ASP H . 8 . HN 1 1 83 1 2 1 1 8 ASP HA . 8 . HA 1 1 84 1 1 1 1 8 ASP H . 8 . HN 1 1 84 1 2 1 1 8 ASP HB2 . 8 . HB2 1 1 85 1 1 1 1 8 ASP H . 8 . HN 1 1 85 1 2 1 1 8 ASP HB3 . 8 . HB1 1 1 86 1 1 1 1 8 ASP H . 8 . HN 1 1 86 1 2 1 1 9 LYS H . 9 . HN 1 1 87 1 1 1 1 8 ASP HA . 8 . HA 1 1 87 1 2 1 1 9 LYS H . 9 . HN 1 1 88 1 1 1 1 8 ASP HA . 8 . HA 1 1 88 1 2 1 1 9 LYS HA . 9 . HA 1 1 89 1 1 1 1 8 ASP HA . 8 . HA 1 1 89 1 2 1 1 10 GLU H . 10 . HN 1 1 90 1 1 1 1 8 ASP HB2 . 8 . HB2 1 1 90 1 2 1 1 9 LYS H . 9 . HN 1 1 91 1 1 1 1 9 LYS H . 9 . HN 1 1 91 1 2 1 1 9 LYS HA . 9 . HA 1 1 92 1 1 1 1 9 LYS H . 9 . HN 1 1 92 1 2 1 1 9 LYS QB . 9 . HB# 1 1 93 1 1 1 1 9 LYS H . 9 . HN 1 1 93 1 2 1 1 9 LYS QD . 9 . HD# 1 1 94 1 1 1 1 9 LYS H . 9 . HN 1 1 94 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 95 1 1 1 1 9 LYS H . 9 . HN 1 1 95 1 2 1 1 9 LYS HG3 . 9 . HG1 1 1 96 1 1 1 1 9 LYS H . 9 . HN 1 1 96 1 2 1 1 10 GLU H . 10 . HN 1 1 97 1 1 1 1 9 LYS H . 9 . HN 1 1 97 1 2 1 1 10 GLU QB . 10 . HB# 1 1 98 1 1 1 1 9 LYS H . 9 . HN 1 1 98 1 2 1 1 10 GLU QG . 10 . HG# 1 1 99 1 1 1 1 9 LYS H . 9 . HN 1 1 99 1 2 1 1 12 VAL HA . 12 . HA 1 1 100 1 1 1 1 9 LYS H . 9 . HN 1 1 100 1 2 1 1 12 VAL HB . 12 . HB 1 1 101 1 1 1 1 9 LYS H . 9 . HN 1 1 101 1 2 1 1 12 VAL QG . 12 . HG1# 1 1 102 1 1 1 1 9 LYS HA . 9 . HA 1 1 102 1 2 1 1 9 LYS QD . 9 . HD# 1 1 103 1 1 1 1 9 LYS HA . 9 . HA 1 1 103 1 2 1 1 9 LYS HG2 . 9 . HG2 1 1 104 1 1 1 1 9 LYS HA . 9 . HA 1 1 104 1 2 1 1 9 LYS HG3 . 9 . HG1 1 1 105 1 1 1 1 9 LYS HA . 9 . HA 1 1 105 1 2 1 1 10 GLU H . 10 . HN 1 1 106 1 1 1 1 9 LYS HA . 9 . HA 1 1 106 1 2 1 1 12 VAL H . 12 . HN 1 1 107 1 1 1 1 9 LYS HA . 9 . HA 1 1 107 1 2 1 1 12 VAL HB . 12 . HB 1 1 108 1 1 1 1 9 LYS HA . 9 . HA 1 1 108 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 109 1 1 1 1 9 LYS HA . 9 . HA 1 1 109 1 2 1 1 13 TYR H . 13 . HN 1 1 110 1 1 1 1 9 LYS QB . 9 . HB# 1 1 110 1 2 1 1 10 GLU H . 10 . HN 1 1 111 1 1 1 1 9 LYS HG2 . 9 . HG2 1 1 111 1 2 1 1 10 GLU H . 10 . HN 1 1 112 1 1 1 1 9 LYS HG3 . 9 . HG1 1 1 112 1 2 1 1 10 GLU H . 10 . HN 1 1 113 1 1 1 1 10 GLU H . 10 . HN 1 1 113 1 2 1 1 10 GLU HA . 10 . HA 1 1 114 1 1 1 1 10 GLU H . 10 . HN 1 1 114 1 2 1 1 10 GLU QB . 10 . HB# 1 1 115 1 1 1 1 10 GLU H . 10 . HN 1 1 115 1 2 1 1 10 GLU QG . 10 . HG# 1 1 116 1 1 1 1 10 GLU H . 10 . HN 1 1 116 1 2 1 1 11 CYS H . 11 . HN 1 1 117 1 1 1 1 10 GLU H . 10 . HN 1 1 117 1 2 1 1 11 CYS QB . 11 . HB# 1 1 118 1 1 1 1 10 GLU H . 10 . HN 1 1 118 1 2 1 1 12 VAL H . 12 . HN 1 1 119 1 1 1 1 10 GLU H . 10 . HN 1 1 119 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 120 1 1 1 1 10 GLU HA . 10 . HA 1 1 120 1 2 1 1 10 GLU QG . 10 . HG# 1 1 121 1 1 1 1 10 GLU HA . 10 . HA 1 1 121 1 2 1 1 11 CYS H . 11 . HN 1 1 122 1 1 1 1 10 GLU HA . 10 . HA 1 1 122 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 123 1 1 1 1 10 GLU HA . 10 . HA 1 1 123 1 2 1 1 13 TYR H . 13 . HN 1 1 124 1 1 1 1 10 GLU HA . 10 . HA 1 1 124 1 2 1 1 13 TYR QB . 13 . HB# 1 1 125 1 1 1 1 10 GLU QB . 10 . HB# 1 1 125 1 2 1 1 11 CYS H . 11 . HN 1 1 126 1 1 1 1 10 GLU QB . 10 . HB# 1 1 126 1 2 1 1 11 CYS HA . 11 . HA 1 1 127 1 1 1 1 10 GLU QB . 10 . HB# 1 1 127 1 2 1 1 13 TYR QB . 13 . HB# 1 1 128 1 1 1 1 10 GLU QB . 10 . HB# 1 1 128 1 2 1 1 14 PHE CG . 14 . CG 1 1 129 1 1 1 1 10 GLU QB . 10 . HB# 1 1 129 1 2 1 1 14 PHE CZ . 14 . CZ 1 1 130 1 1 1 1 10 GLU QG . 10 . HG# 1 1 130 1 2 1 1 11 CYS H . 11 . HN 1 1 131 1 1 1 1 10 GLU QG . 10 . HG# 1 1 131 1 2 1 1 11 CYS HA . 11 . HA 1 1 132 1 1 1 1 10 GLU QG . 10 . HG# 1 1 132 1 2 1 1 12 VAL H . 12 . HN 1 1 133 1 1 1 1 10 GLU QG . 10 . HG# 1 1 133 1 2 1 1 13 TYR QB . 13 . HB# 1 1 134 1 1 1 1 10 GLU QG . 10 . HG# 1 1 134 1 2 1 1 14 PHE CG . 14 . CG 1 1 135 1 1 1 1 10 GLU QG . 10 . HG# 1 1 135 1 2 1 1 14 PHE CZ . 14 . CZ 1 1 136 1 1 1 1 11 CYS H . 11 . HN 1 1 136 1 2 1 1 11 CYS HA . 11 . HA 1 1 137 1 1 1 1 11 CYS H . 11 . HN 1 1 137 1 2 1 1 11 CYS QB . 11 . HB# 1 1 138 1 1 1 1 11 CYS H . 11 . HN 1 1 138 1 2 1 1 12 VAL H . 12 . HN 1 1 139 1 1 1 1 11 CYS H . 11 . HN 1 1 139 1 2 1 1 12 VAL HA . 12 . HA 1 1 140 1 1 1 1 11 CYS H . 11 . HN 1 1 140 1 2 1 1 12 VAL HB . 12 . HB 1 1 141 1 1 1 1 11 CYS H . 11 . HN 1 1 141 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 142 1 1 1 1 11 CYS H . 11 . HN 1 1 142 1 2 1 1 13 TYR H . 13 . HN 1 1 143 1 1 1 1 11 CYS HA . 11 . HA 1 1 143 1 2 1 1 12 VAL H . 12 . HN 1 1 144 1 1 1 1 11 CYS HA . 11 . HA 1 1 144 1 2 1 1 12 VAL HA . 12 . HA 1 1 145 1 1 1 1 11 CYS HA . 11 . HA 1 1 145 1 2 1 1 12 VAL HB . 12 . HB 1 1 146 1 1 1 1 11 CYS QB . 11 . HB# 1 1 146 1 2 1 1 12 VAL H . 12 . HN 1 1 147 1 1 1 1 12 VAL H . 12 . HN 1 1 147 1 2 1 1 12 VAL HA . 12 . HA 1 1 148 1 1 1 1 12 VAL H . 12 . HN 1 1 148 1 2 1 1 12 VAL HB . 12 . HB 1 1 149 1 1 1 1 12 VAL H . 12 . HN 1 1 149 1 2 1 1 12 VAL QG . 12 . HG1# 1 1 150 1 1 1 1 12 VAL H . 12 . HN 1 1 150 1 2 1 1 13 TYR H . 13 . HN 1 1 151 1 1 1 1 12 VAL H . 12 . HN 1 1 151 1 2 1 1 13 TYR QB . 13 . HB# 1 1 152 1 1 1 1 12 VAL HA . 12 . HA 1 1 152 1 2 1 1 12 VAL QG . 12 . HG2# 1 1 153 1 1 1 1 12 VAL HA . 12 . HA 1 1 153 1 2 1 1 13 TYR CG . 13 . CG 1 1 154 1 1 1 1 12 VAL HA . 12 . HA 1 1 154 1 2 1 1 13 TYR CZ . 13 . CZ 1 1 155 1 1 1 1 12 VAL HA . 12 . HA 1 1 155 1 2 1 1 13 TYR H . 13 . HN 1 1 156 1 1 1 1 12 VAL HA . 12 . HA 1 1 156 1 2 1 1 14 PHE CZ . 14 . CZ 1 1 157 1 1 1 1 12 VAL HA . 12 . HA 1 1 157 1 2 1 1 15 CYS H . 15 . HN 1 1 158 1 1 1 1 12 VAL HA . 12 . HA 1 1 158 1 2 1 1 15 CYS QB . 15 . HB1 1 1 159 1 1 1 1 12 VAL HA . 12 . HA 1 1 159 1 2 1 1 17 LEU H . 17 . HN 1 1 160 1 1 1 1 12 VAL HA . 12 . HA 1 1 160 1 2 1 1 17 LEU HB2 . 17 . HB1 1 1 161 1 1 1 1 12 VAL HA . 12 . HA 1 1 161 1 2 1 1 17 LEU HB3 . 17 . HB2 1 1 162 1 1 1 1 12 VAL HA . 12 . HA 1 1 162 1 2 1 1 17 LEU QD . 17 . HD* 1 1 163 1 1 1 1 12 VAL HB . 12 . HB 1 1 163 1 2 1 1 13 TYR H . 13 . HN 1 1 164 1 1 1 1 12 VAL HB . 12 . HB 1 1 164 1 2 1 1 13 TYR QB . 13 . HB# 1 1 165 1 1 1 1 12 VAL QG . 12 . HG2# 1 1 165 1 2 1 1 13 TYR CG . 13 . CG 1 1 166 1 1 1 1 12 VAL QG . 12 . HG2# 1 1 166 1 2 1 1 13 TYR CZ . 13 . CZ 1 1 167 1 1 1 1 12 VAL QG . 12 . HG1# 1 1 167 1 2 1 1 13 TYR H . 13 . HN 1 1 168 1 1 1 1 12 VAL QG . 12 . HG2# 1 1 168 1 2 1 1 15 CYS H . 15 . HN 1 1 169 1 1 1 1 13 TYR CG . 13 . CG 1 1 169 1 2 1 1 14 PHE CG . 14 . CG 1 1 170 1 1 1 1 13 TYR CG . 13 . CG 1 1 170 1 2 1 1 14 PHE H . 14 . HN 1 1 171 1 1 1 1 13 TYR CG . 13 . CG 1 1 171 1 2 1 1 14 PHE HA . 14 . HA 1 1 172 1 1 1 1 13 TYR CG . 13 . CG 1 1 172 1 2 1 1 14 PHE QB . 14 . HB# 1 1 173 1 1 1 1 13 TYR CG . 13 . CG 1 1 173 1 2 1 1 17 LEU QD . 17 . HD* 1 1 174 1 1 1 1 13 TYR CG . 13 . CG 1 1 174 1 2 1 1 17 LEU HG . 17 . HG 1 1 175 1 1 1 1 13 TYR CG . 13 . CG 1 1 175 1 2 1 1 19 ILE MD . 19 . HD1# 1 1 176 1 1 1 1 13 TYR CZ . 13 . CZ 1 1 176 1 2 1 1 14 PHE CZ . 14 . CZ 1 1 177 1 1 1 1 13 TYR CZ . 13 . CZ 1 1 177 1 2 1 1 14 PHE H . 14 . HN 1 1 178 1 1 1 1 13 TYR CZ . 13 . CZ 1 1 178 1 2 1 1 17 LEU HG . 17 . HG 1 1 179 1 1 1 1 13 TYR CZ . 13 . CZ 1 1 179 1 2 1 1 19 ILE MD . 19 . HD1# 1 1 180 1 1 1 1 13 TYR CZ . 13 . CZ 1 1 180 1 2 1 1 19 ILE QG . 19 . HG1# 1 1 181 1 1 1 1 13 TYR H . 13 . HN 1 1 181 1 2 1 1 13 TYR HA . 13 . HA 1 1 182 1 1 1 1 13 TYR H . 13 . HN 1 1 182 1 2 1 1 13 TYR QB . 13 . HB# 1 1 183 1 1 1 1 13 TYR H . 13 . HN 1 1 183 1 2 1 1 14 PHE H . 14 . HN 1 1 184 1 1 1 1 13 TYR H . 13 . HN 1 1 184 1 2 1 1 15 CYS H . 15 . HN 1 1 185 1 1 1 1 13 TYR HA . 13 . HA 1 1 185 1 2 1 1 14 PHE CG . 14 . CG 1 1 186 1 1 1 1 13 TYR HA . 13 . HA 1 1 186 1 2 1 1 14 PHE CZ . 14 . CZ 1 1 187 1 1 1 1 13 TYR HA . 13 . HA 1 1 187 1 2 1 1 14 PHE H . 14 . HN 1 1 188 1 1 1 1 13 TYR HA . 13 . HA 1 1 188 1 2 1 1 15 CYS H . 15 . HN 1 1 189 1 1 1 1 13 TYR HA . 13 . HA 1 1 189 1 2 1 1 16 HIS H . 16 . HN 1 1 190 1 1 1 1 13 TYR QB . 13 . HB# 1 1 190 1 2 1 1 14 PHE H . 14 . HN 1 1 191 1 1 1 1 14 PHE CG . 14 . CG 1 1 191 1 2 1 1 15 CYS H . 15 . HN 1 1 192 1 1 1 1 14 PHE CG . 14 . CG 1 1 192 1 2 1 1 15 CYS HA . 15 . HA 1 1 193 1 1 1 1 14 PHE CG . 14 . CG 1 1 193 1 2 1 1 17 LEU QD . 17 . HD* 1 1 194 1 1 1 1 14 PHE CG . 14 . CG 1 1 194 1 2 1 1 19 ILE MD . 19 . HD1# 1 1 195 1 1 1 1 14 PHE CG . 14 . CG 1 1 195 1 2 1 1 19 ILE QG . 19 . HG1# 1 1 196 1 1 1 1 14 PHE CZ . 14 . CZ 1 1 196 1 2 1 1 19 ILE MD . 19 . HD1# 1 1 197 1 1 1 1 14 PHE CZ . 14 . CZ 1 1 197 1 2 1 1 19 ILE QG . 19 . HG1# 1 1 198 1 1 1 1 14 PHE H . 14 . HN 1 1 198 1 2 1 1 14 PHE HA . 14 . HA 1 1 199 1 1 1 1 14 PHE H . 14 . HN 1 1 199 1 2 1 1 14 PHE QB . 14 . HB# 1 1 200 1 1 1 1 14 PHE H . 14 . HN 1 1 200 1 2 1 1 15 CYS H . 15 . HN 1 1 201 1 1 1 1 14 PHE HA . 14 . HA 1 1 201 1 2 1 1 15 CYS H . 15 . HN 1 1 202 1 1 1 1 14 PHE QB . 14 . HB# 1 1 202 1 2 1 1 15 CYS H . 15 . HN 1 1 203 1 1 1 1 14 PHE QB . 14 . HB# 1 1 203 1 2 1 1 16 HIS H . 16 . HN 1 1 204 1 1 1 1 15 CYS H . 15 . HN 1 1 204 1 2 1 1 15 CYS HA . 15 . HA 1 1 205 1 1 1 1 15 CYS H . 15 . HN 1 1 205 1 2 1 1 15 CYS QB . 15 . HB1 1 1 206 1 1 1 1 15 CYS H . 15 . HN 1 1 206 1 2 1 1 16 HIS H . 16 . HN 1 1 207 1 1 1 1 15 CYS H . 15 . HN 1 1 207 1 2 1 1 16 HIS HA . 16 . HA 1 1 208 1 1 1 1 15 CYS H . 15 . HN 1 1 208 1 2 1 1 17 LEU H . 17 . HN 1 1 209 1 1 1 1 15 CYS H . 15 . HN 1 1 209 1 2 1 1 17 LEU QD . 17 . HD* 1 1 210 1 1 1 1 15 CYS H . 15 . HN 1 1 210 1 2 1 1 17 LEU HG . 17 . HG 1 1 211 1 1 1 1 15 CYS HA . 15 . HA 1 1 211 1 2 1 1 16 HIS H . 16 . HN 1 1 212 1 1 1 1 15 CYS HA . 15 . HA 1 1 212 1 2 1 1 17 LEU H . 17 . HN 1 1 213 1 1 1 1 15 CYS QB . 15 . HB2 1 1 213 1 2 1 1 16 HIS H . 16 . HN 1 1 214 1 1 1 1 15 CYS QB . 15 . HB2 1 1 214 1 2 1 1 17 LEU QD . 17 . HD* 1 1 215 1 1 1 1 15 CYS QB . 15 . HB2 1 1 215 1 2 1 1 17 LEU HG . 17 . HG 1 1 216 1 1 1 1 16 HIS H . 16 . HN 1 1 216 1 2 1 1 16 HIS HA . 16 . HA 1 1 217 1 1 1 1 16 HIS H . 16 . HN 1 1 217 1 2 1 1 16 HIS QB . 16 . HB# 1 1 218 1 1 1 1 16 HIS HA . 16 . HA 1 1 218 1 2 1 1 17 LEU H . 17 . HN 1 1 219 1 1 1 1 16 HIS HA . 16 . HA 1 1 219 1 2 1 1 18 ASP H . 18 . HN 1 1 220 1 1 1 1 16 HIS HA . 16 . HA 1 1 220 1 2 1 1 19 ILE MG . 19 . HG2# 1 1 221 1 1 1 1 16 HIS QB . 16 . HB# 1 1 221 1 2 1 1 17 LEU H . 17 . HN 1 1 222 1 1 1 1 17 LEU H . 17 . HN 1 1 222 1 2 1 1 17 LEU HA . 17 . HA 1 1 223 1 1 1 1 17 LEU H . 17 . HN 1 1 223 1 2 1 1 17 LEU HB2 . 17 . HB1 1 1 224 1 1 1 1 17 LEU H . 17 . HN 1 1 224 1 2 1 1 17 LEU HB3 . 17 . HB2 1 1 225 1 1 1 1 17 LEU H . 17 . HN 1 1 225 1 2 1 1 17 LEU QD . 17 . HD* 1 1 226 1 1 1 1 17 LEU H . 17 . HN 1 1 226 1 2 1 1 18 ASP H . 18 . HN 1 1 227 1 1 1 1 17 LEU HA . 17 . HA 1 1 227 1 2 1 1 18 ASP H . 18 . HN 1 1 228 1 1 1 1 17 LEU HA . 17 . HA 1 1 228 1 2 1 1 19 ILE H . 19 . HN 1 1 229 1 1 1 1 17 LEU HB2 . 17 . HB1 1 1 229 1 2 1 1 18 ASP H . 18 . HN 1 1 230 1 1 1 1 17 LEU HB3 . 17 . HB2 1 1 230 1 2 1 1 18 ASP H . 18 . HN 1 1 231 1 1 1 1 17 LEU HB3 . 17 . HB2 1 1 231 1 2 1 1 19 ILE H . 19 . HN 1 1 232 1 1 1 1 17 LEU QD . 17 . HD* 1 1 232 1 2 1 1 18 ASP H . 18 . HN 1 1 233 1 1 1 1 18 ASP H . 18 . HN 1 1 233 1 2 1 1 18 ASP HA . 18 . HA 1 1 234 1 1 1 1 18 ASP H . 18 . HN 1 1 234 1 2 1 1 18 ASP HB2 . 18 . HB2 1 1 235 1 1 1 1 18 ASP H . 18 . HN 1 1 235 1 2 1 1 18 ASP HB3 . 18 . HB1 1 1 236 1 1 1 1 18 ASP H . 18 . HN 1 1 236 1 2 1 1 19 ILE H . 19 . HN 1 1 237 1 1 1 1 18 ASP H . 18 . HN 1 1 237 1 2 1 1 19 ILE QG . 19 . HG1# 1 1 238 1 1 1 1 18 ASP H . 18 . HN 1 1 238 1 2 1 1 19 ILE MG . 19 . HG2# 1 1 239 1 1 1 1 18 ASP HA . 18 . HA 1 1 239 1 2 1 1 19 ILE H . 19 . HN 1 1 240 1 1 1 1 18 ASP HA . 18 . HA 1 1 240 1 2 1 1 19 ILE HA . 19 . HA 1 1 241 1 1 1 1 18 ASP HB2 . 18 . HB2 1 1 241 1 2 1 1 19 ILE H . 19 . HN 1 1 242 1 1 1 1 18 ASP HB3 . 18 . HB1 1 1 242 1 2 1 1 19 ILE H . 19 . HN 1 1 243 1 1 1 1 19 ILE H . 19 . HN 1 1 243 1 2 1 1 19 ILE HA . 19 . HA 1 1 244 1 1 1 1 19 ILE H . 19 . HN 1 1 244 1 2 1 1 19 ILE HB . 19 . HB 1 1 245 1 1 1 1 19 ILE H . 19 . HN 1 1 245 1 2 1 1 19 ILE MD . 19 . HD1# 1 1 246 1 1 1 1 19 ILE H . 19 . HN 1 1 246 1 2 1 1 19 ILE HG12 . 19 . HG12 1 1 247 1 1 1 1 19 ILE H . 19 . HN 1 1 247 1 2 1 1 19 ILE QG . 19 . HG1# 1 1 248 1 1 1 1 19 ILE H . 19 . HN 1 1 248 1 2 1 1 19 ILE HG13 . 19 . HG11 1 1 249 1 1 1 1 19 ILE H . 19 . HN 1 1 249 1 2 1 1 20 ILE H . 20 . HN 1 1 250 1 1 1 1 19 ILE HA . 19 . HA 1 1 250 1 2 1 1 19 ILE HG12 . 19 . HG12 1 1 251 1 1 1 1 19 ILE HA . 19 . HA 1 1 251 1 2 1 1 19 ILE HG13 . 19 . HG11 1 1 252 1 1 1 1 19 ILE HA . 19 . HA 1 1 252 1 2 1 1 20 ILE H . 20 . HN 1 1 253 1 1 1 1 19 ILE HA . 19 . HA 1 1 253 1 2 1 1 20 ILE HB . 20 . HB 1 1 254 1 1 1 1 19 ILE HB . 19 . HB 1 1 254 1 2 1 1 20 ILE H . 20 . HN 1 1 255 1 1 1 1 19 ILE MD . 19 . HD1# 1 1 255 1 2 1 1 20 ILE H . 20 . HN 1 1 256 1 1 1 1 19 ILE MD . 19 . HD1# 1 1 256 1 2 1 1 21 TRP H . 21 . HN 1 1 257 1 1 1 1 19 ILE MD . 19 . HD1# 1 1 257 1 2 1 1 21 TRP HD1 . 21 . HD1 1 1 258 1 1 1 1 19 ILE MD . 19 . HD1# 1 1 258 1 2 1 1 21 TRP HE3 . 21 . HE3 1 1 259 1 1 1 1 19 ILE MD . 19 . HD1# 1 1 259 1 2 1 1 21 TRP HZ2 . 21 . HZ2 1 1 260 1 1 1 1 19 ILE QG . 19 . HG1# 1 1 260 1 2 1 1 20 ILE H . 20 . HN 1 1 261 1 1 1 1 19 ILE QG . 19 . HG1# 1 1 261 1 2 1 1 20 ILE HA . 20 . HA 1 1 262 1 1 1 1 19 ILE QG . 19 . HG1# 1 1 262 1 2 1 1 21 TRP H . 21 . HN 1 1 263 1 1 1 1 19 ILE QG . 19 . HG1# 1 1 263 1 2 1 1 21 TRP HD1 . 21 . HD1 1 1 264 1 1 1 1 19 ILE QG . 19 . HG1# 1 1 264 1 2 1 1 21 TRP HE1 . 21 . HE1 1 1 265 1 1 1 1 19 ILE QG . 19 . HG1# 1 1 265 1 2 1 1 21 TRP HE3 . 21 . HE3 1 1 266 1 1 1 1 19 ILE QG . 19 . HG1# 1 1 266 1 2 1 1 21 TRP HZ2 . 21 . HZ2 1 1 267 1 1 1 1 19 ILE HG12 . 19 . HG12 1 1 267 1 2 1 1 20 ILE H . 20 . HN 1 1 268 1 1 1 1 20 ILE H . 20 . HN 1 1 268 1 2 1 1 20 ILE HA . 20 . HA 1 1 269 1 1 1 1 20 ILE H . 20 . HN 1 1 269 1 2 1 1 20 ILE HB . 20 . HB 1 1 270 1 1 1 1 20 ILE H . 20 . HN 1 1 270 1 2 1 1 20 ILE HG12 . 20 . HG12 1 1 271 1 1 1 1 20 ILE H . 20 . HN 1 1 271 1 2 1 1 20 ILE HG13 . 20 . HG11 1 1 272 1 1 1 1 20 ILE H . 20 . HN 1 1 272 1 2 1 1 21 TRP H . 21 . HN 1 1 273 1 1 1 1 20 ILE HA . 20 . HA 1 1 273 1 2 1 1 20 ILE HG12 . 20 . HG12 1 1 274 1 1 1 1 20 ILE HA . 20 . HA 1 1 274 1 2 1 1 20 ILE HG13 . 20 . HG11 1 1 275 1 1 1 1 20 ILE HA . 20 . HA 1 1 275 1 2 1 1 21 TRP H . 21 . HN 1 1 276 1 1 1 1 20 ILE HA . 20 . HA 1 1 276 1 2 1 1 21 TRP HB2 . 21 . HB2 1 1 277 1 1 1 1 20 ILE HA . 20 . HA 1 1 277 1 2 1 1 21 TRP HB3 . 21 . HB1 1 1 278 1 1 1 1 20 ILE HB . 20 . HB 1 1 278 1 2 1 1 21 TRP H . 21 . HN 1 1 279 1 1 1 1 20 ILE MD . 20 . HD1# 1 1 279 1 2 1 1 21 TRP H . 21 . HN 1 1 280 1 1 1 1 20 ILE QG . 20 . HG1# 1 1 280 1 2 1 1 21 TRP H . 21 . HN 1 1 281 1 1 1 1 20 ILE QG . 20 . HG1# 1 1 281 1 2 1 1 21 TRP HE3 . 21 . HE3 1 1 282 1 1 1 1 20 ILE QG . 20 . HG1# 1 1 282 1 2 1 1 21 TRP HH2 . 21 . HH2 1 1 283 1 1 1 1 20 ILE QG . 20 . HG1# 1 1 283 1 2 1 1 21 TRP HZ3 . 21 . HZ3 1 1 284 1 1 1 1 20 ILE HG12 . 20 . HG12 1 1 284 1 2 1 1 21 TRP H . 21 . HN 1 1 285 1 1 1 1 20 ILE HG13 . 20 . HG11 1 1 285 1 2 1 1 21 TRP H . 21 . HN 1 1 286 1 1 1 1 21 TRP H . 21 . HN 1 1 286 1 2 1 1 21 TRP HA . 21 . HA 1 1 287 1 1 1 1 21 TRP H . 21 . HN 1 1 287 1 2 1 1 21 TRP HB2 . 21 . HB2 1 1 288 1 1 1 1 21 TRP H . 21 . HN 1 1 288 1 2 1 1 21 TRP HB3 . 21 . HB1 1 1 289 1 1 1 1 21 TRP HA . 21 . HA 1 1 289 1 2 1 1 21 TRP HE3 . 21 . HE3 1 1 290 1 1 1 1 21 TRP HB2 . 21 . HB2 1 1 290 1 2 1 1 21 TRP HE3 . 21 . HE3 1 1 291 1 1 1 1 21 TRP HB3 . 21 . HB1 1 1 291 1 2 1 1 21 TRP HE3 . 21 . HE3 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 . . . . . 2.4 2.1 2.7 1 1 2 1 . . . . . 4.2 3.5 4.9 1 1 3 1 . . . . . 4.3 3.1 5.5 1 1 4 1 . . . . . 3.3 2.1 4.5 1 1 5 1 . . . . . 5.0 3.2 6.8 1 1 6 1 . . . . . 2.4 1.9 2.9 1 1 7 1 . . . . . 2.9 1.6 4.2 1 1 8 1 . . . . . 4.2 3.5 4.9 1 1 9 1 . . . . . 5.2 3.9 6.5 1 1 10 1 . . . . . 2.4 2.1 2.7 1 1 11 1 . . . . . 4.8 3.8 5.8 1 1 12 1 . . . . . 4.8 3.8 5.8 1 1 13 1 . . . . . 5.2 3.9 6.5 1 1 14 1 . . . . . 3.3 2.1 4.5 1 1 15 1 . . . . . 5.5 4.3 6.7 1 1 16 1 . . . . . 5.5 4.3 6.7 1 1 17 1 . . . . . 5.9 4.0 7.8 1 1 18 1 . . . . . 3.2 2.5 3.9 1 1 19 1 . . . . . 3.0 2.5 3.5 1 1 20 1 . . . . . 3.0 2.5 3.5 1 1 21 1 . . . . . 4.8 3.8 5.8 1 1 22 1 . . . . . 2.8 2.5 3.1 1 1 23 1 . . . . . 4.8 3.8 5.8 1 1 24 1 . . . . . 3.4 3.1 3.7 1 1 25 1 . . . . . 4.2 3.5 4.9 1 1 26 1 . . . . . 3.6 3.1 4.1 1 1 27 1 . . . . . 4.6 3.3 5.9 1 1 28 1 . . . . . 4.2 3.5 4.9 1 1 29 1 . . . . . 4.8 3.8 5.8 1 1 30 1 . . . . . 5.4 4.4 6.4 1 1 31 1 . . . . . 5.2 3.9 6.5 1 1 32 1 . . . . . 2.8 2.3 3.3 1 1 33 1 . . . . . 2.8 2.3 3.3 1 1 34 1 . . . . . 2.8 2.3 3.3 1 1 35 1 . . . . . 3.2 2.9 3.5 1 1 36 1 . . . . . 5.2 3.9 6.5 1 1 37 1 . . . . . 3.2 2.9 3.5 1 1 38 1 . . . . . 4.8 3.8 5.8 1 1 39 1 . . . . . 2.8 2.3 3.3 1 1 40 1 . . . . . 3.2 2.5 3.9 1 1 41 1 . . . . . 3.2 2.5 3.9 1 1 42 1 . . . . . 4.2 3.5 4.9 1 1 43 1 . . . . . 2.6 2.3 2.9 1 1 44 1 . . . . . 5.8 4.5 7.1 1 1 45 1 . . . . . 4.8 3.8 5.8 1 1 46 1 . . . . . 4.8 3.8 5.8 1 1 47 1 . . . . . 5.4 4.4 6.4 1 1 48 1 . . . . . 4.2 3.5 4.9 1 1 49 1 . . . . . 4.8 3.8 5.8 1 1 50 1 . . . . . 4.8 3.8 5.8 1 1 51 1 . . . . . 4.8 3.8 5.8 1 1 52 1 . . . . . 4.8 3.8 5.8 1 1 53 1 . . . . . 4.8 3.8 5.8 1 1 54 1 . . . . . 5.4 4.4 6.4 1 1 55 1 . . . . . 3.2 2.5 3.9 1 1 56 1 . . . . . 2.8 2.3 3.3 1 1 57 1 . . . . . 3.8 3.1 4.5 1 1 58 1 . . . . . 4.2 2.8 5.6 1 1 59 1 . . . . . 3.2 2.9 3.5 1 1 60 1 . . . . . 4.8 3.8 5.8 1 1 61 1 . . . . . 3.2 2.8 4.6 1 1 62 1 . . . . . 3.6 3.1 4.1 1 1 63 1 . . . . . 4.8 3.8 5.8 1 1 64 1 . . . . . 4.2 3.5 4.9 1 1 65 1 . . . . . 4.2 3.5 4.9 1 1 66 1 . . . . . 5.2 3.9 6.5 1 1 67 1 . . . . . 2.8 2.3 3.3 1 1 68 1 . . . . . 3.2 2.5 3.9 1 1 69 1 . . . . . 2.8 2.3 3.3 1 1 70 1 . . . . . 3.8 3.1 4.5 1 1 71 1 . . . . . 3.8 3.1 4.5 1 1 72 1 . . . . . 2.8 2.5 3.1 1 1 73 1 . . . . . 5.4 4.4 6.4 1 1 74 1 . . . . . 5.4 4.4 6.4 1 1 75 1 . . . . . 5.8 4.5 7.1 1 1 76 1 . . . . . 3.8 3.1 4.5 1 1 77 1 . . . . . 3.2 2.5 3.9 1 1 78 1 . . . . . 3.6 3.1 4.1 1 1 79 1 . . . . . 4.8 3.8 5.8 1 1 80 1 . . . . . 4.2 3.5 4.9 1 1 81 1 . . . . . 5.4 4.4 6.4 1 1 82 1 . . . . . 4.8 3.8 5.8 1 1 83 1 . . . . . 2.8 2.3 3.3 1 1 84 1 . . . . . 2.8 2.3 3.3 1 1 85 1 . . . . . 2.8 2.3 3.3 1 1 86 1 . . . . . 4.4 3.7 5.1 1 1 87 1 . . . . . 2.6 2.3 2.9 1 1 88 1 . . . . . 5.4 4.4 6.4 1 1 89 1 . . . . . 4.8 3.8 5.8 1 1 90 1 . . . . . 3.6 3.1 4.1 1 1 91 1 . . . . . 2.8 2.3 3.3 1 1 92 1 . . . . . 2.5 1.2 3.8 1 1 93 1 . . . . . 4.5 3.2 5.8 1 1 94 1 . . . . . 3.2 2.5 3.9 1 1 95 1 . . . . . 3.8 3.1 4.5 1 1 96 1 . . . . . 3.2 2.9 3.5 1 1 97 1 . . . . . 4.9 3.7 6.1 1 1 98 1 . . . . . 4.9 3.7 6.1 1 1 99 1 . . . . . 5.0 4.0 6.0 1 1 100 1 . . . . . 4.8 3.8 5.8 1 1 101 1 . . . . . 5.2 3.9 6.5 1 1 102 1 . . . . . 4.5 3.2 5.8 1 1 103 1 . . . . . 3.8 3.1 4.5 1 1 104 1 . . . . . 3.8 3.1 4.5 1 1 105 1 . . . . . 3.6 3.1 4.1 1 1 106 1 . . . . . 3.6 3.1 4.1 1 1 107 1 . . . . . 3.2 2.9 3.5 1 1 108 1 . . . . . 4.0 3.9 5.3 1 1 109 1 . . . . . 4.8 3.8 5.8 1 1 110 1 . . . . . 3.7 2.5 4.9 1 1 111 1 . . . . . 4.8 3.8 5.8 1 1 112 1 . . . . . 5.4 4.4 6.4 1 1 113 1 . . . . . 2.8 2.3 3.3 1 1 114 1 . . . . . 2.5 1.2 3.8 1 1 115 1 . . . . . 3.3 2.0 4.6 1 1 116 1 . . . . . 2.8 2.5 3.1 1 1 117 1 . . . . . 4.9 3.7 6.1 1 1 118 1 . . . . . 4.8 3.8 5.8 1 1 119 1 . . . . . 5.8 4.5 7.1 1 1 120 1 . . . . . 3.3 2.0 4.6 1 1 121 1 . . . . . 3.6 3.1 4.1 1 1 122 1 . . . . . 5.2 3.9 6.5 1 1 123 1 . . . . . 3.6 3.1 4.1 1 1 124 1 . . . . . 3.7 2.5 4.9 1 1 125 1 . . . . . 3.3 2.1 4.5 1 1 126 1 . . . . . 4.9 3.7 6.1 1 1 127 1 . . . . . 5.0 3.2 6.8 1 1 128 1 . . . . . 6.2 3.2 9.2 1 1 129 1 . . . . . 6.2 3.2 9.2 1 1 130 1 . . . . . 4.9 3.7 6.1 1 1 131 1 . . . . . 4.9 3.7 6.1 1 1 132 1 . . . . . 5.5 4.3 6.7 1 1 133 1 . . . . . 5.0 3.2 6.8 1 1 134 1 . . . . . 5.6 2.6 8.6 1 1 135 1 . . . . . 5.6 2.6 8.6 1 1 136 1 . . . . . 2.8 2.3 3.3 1 1 137 1 . . . . . 2.5 1.2 3.8 1 1 138 1 . . . . . 2.6 2.3 2.9 1 1 139 1 . . . . . 5.4 4.4 6.4 1 1 140 1 . . . . . 5.4 4.4 6.4 1 1 141 1 . . . . . 4.8 3.9 6.1 1 1 142 1 . . . . . 4.8 3.8 5.8 1 1 143 1 . . . . . 3.6 3.1 4.1 1 1 144 1 . . . . . 5.4 4.4 6.4 1 1 145 1 . . . . . 5.4 4.4 6.4 1 1 146 1 . . . . . 3.3 2.1 4.5 1 1 147 1 . . . . . 3.2 2.5 3.9 1 1 148 1 . . . . . 2.2 1.7 2.7 1 1 149 1 . . . . . 3.6 2.2 4.2 1 1 150 1 . . . . . 2.8 2.5 3.1 1 1 151 1 . . . . . 4.9 3.7 6.1 1 1 152 1 . . . . . 2.8 2.2 4.2 1 1 153 1 . . . . . 6.1 4.0 8.2 1 1 154 1 . . . . . 6.1 4.0 8.2 1 1 155 1 . . . . . 4.2 3.5 4.9 1 1 156 1 . . . . . 6.1 4.0 8.2 1 1 157 1 . . . . . 4.2 3.5 4.9 1 1 158 1 . . . . . 4.2 3.5 4.9 1 1 159 1 . . . . . 4.8 3.8 5.8 1 1 160 1 . . . . . 4.8 3.8 5.8 1 1 161 1 . . . . . 4.8 3.8 5.8 1 1 162 1 . . . . . 5.8 4.0 7.6 1 1 163 1 . . . . . 3.2 2.9 3.5 1 1 164 1 . . . . . 4.9 3.7 6.1 1 1 165 1 . . . . . 4.7 1.6 7.8 1 1 166 1 . . . . . 5.9 2.8 9.0 1 1 167 1 . . . . . 4.0 2.7 5.3 1 1 168 1 . . . . . 4.8 4.1 6.1 1 1 169 1 . . . . . 5.2 1.0 9.4 1 1 170 1 . . . . . 4.1 2.0 6.2 1 1 171 1 . . . . . 3.9 1.8 6.0 1 1 172 1 . . . . . 4.4 1.4 7.4 1 1 173 1 . . . . . 5.5 1.6 9.4 1 1 174 1 . . . . . 5.5 3.4 7.6 1 1 175 1 . . . . . 5.9 2.8 9.0 1 1 176 1 . . . . . 5.2 1.0 9.4 1 1 177 1 . . . . . 5.5 3.4 7.6 1 1 178 1 . . . . . 6.1 4.0 8.2 1 1 179 1 . . . . . 5.9 2.8 9.0 1 1 180 1 . . . . . 5.9 2.8 9.0 1 1 181 1 . . . . . 2.8 2.3 3.3 1 1 182 1 . . . . . 2.5 1.2 3.8 1 1 183 1 . . . . . 2.8 2.5 3.1 1 1 184 1 . . . . . 4.8 3.8 5.8 1 1 185 1 . . . . . 3.9 1.8 6.0 1 1 186 1 . . . . . 4.9 2.8 7.0 1 1 187 1 . . . . . 3.2 2.9 3.5 1 1 188 1 . . . . . 4.2 3.5 4.9 1 1 189 1 . . . . . 4.8 3.8 5.8 1 1 190 1 . . . . . 2.9 1.7 4.1 1 1 191 1 . . . . . 4.9 2.8 7.0 1 1 192 1 . . . . . 4.9 2.8 7.0 1 1 193 1 . . . . . 4.5 0.6 8.4 1 1 194 1 . . . . . 5.3 2.2 8.4 1 1 195 1 . . . . . 5.9 2.8 9.0 1 1 196 1 . . . . . 5.3 2.2 8.4 1 1 197 1 . . . . . 5.9 2.8 9.0 1 1 198 1 . . . . . 2.4 1.9 2.9 1 1 199 1 . . . . . 2.1 0.8 3.4 1 1 200 1 . . . . . 3.0 2.7 3.3 1 1 201 1 . . . . . 3.8 3.3 4.3 1 1 202 1 . . . . . 3.3 2.1 4.5 1 1 203 1 . . . . . 4.9 3.7 6.1 1 1 204 1 . . . . . 2.6 2.1 3.1 1 1 205 1 . . . . . . 2.5 2.9 1 1 206 1 . . . . . 3.0 2.7 3.3 1 1 207 1 . . . . . 5.0 4.0 6.0 1 1 208 1 . . . . . 4.8 3.8 5.8 1 1 209 1 . . . . . 5.8 4.0 7.6 1 1 210 1 . . . . . 4.8 3.8 5.8 1 1 211 1 . . . . . 3.6 3.1 4.1 1 1 212 1 . . . . . 4.8 3.8 5.8 1 1 213 1 . . . . . 4.2 3.5 4.9 1 1 214 1 . . . . . 4.6 2.8 6.4 1 1 215 1 . . . . . 4.2 3.5 4.9 1 1 216 1 . . . . . 2.2 1.7 2.7 1 1 217 1 . . . . . 2.9 1.6 4.2 1 1 218 1 . . . . . 3.2 2.9 3.5 1 1 219 1 . . . . . 5.0 4.0 6.0 1 1 220 1 . . . . . 5.8 4.5 7.1 1 1 221 1 . . . . . 3.7 2.5 4.9 1 1 222 1 . . . . . 2.8 2.3 3.3 1 1 223 1 . . . . . 2.8 2.3 3.3 1 1 224 1 . . . . . 3.2 2.5 3.9 1 1 225 1 . . . . . 3.0 0.8 5.2 1 1 226 1 . . . . . 4.2 3.5 4.9 1 1 227 1 . . . . . 2.6 2.3 2.9 1 1 228 1 . . . . . 4.8 3.8 5.8 1 1 229 1 . . . . . 4.4 3.7 5.1 1 1 230 1 . . . . . 3.8 3.3 4.3 1 1 231 1 . . . . . 5.4 4.4 6.4 1 1 232 1 . . . . . 4.6 2.8 6.4 1 1 233 1 . . . . . 2.2 1.7 2.7 1 1 234 1 . . . . . 3.2 2.5 3.9 1 1 235 1 . . . . . 2.8 2.3 3.3 1 1 236 1 . . . . . 3.6 3.1 4.1 1 1 237 1 . . . . . 5.2 3.9 6.5 1 1 238 1 . . . . . 5.8 4.5 7.1 1 1 239 1 . . . . . 2.8 2.5 3.1 1 1 240 1 . . . . . 5.4 4.4 6.4 1 1 241 1 . . . . . 4.8 3.8 5.8 1 1 242 1 . . . . . 4.8 3.8 5.8 1 1 243 1 . . . . . 2.8 2.3 3.3 1 1 244 1 . . . . . 3.0 2.5 3.5 1 1 245 1 . . . . . 4.2 2.8 5.6 1 1 246 1 . . . . . 3.2 2.5 3.9 1 1 247 1 . . . . . 3.6 2.2 5.0 1 1 248 1 . . . . . 3.2 2.5 3.9 1 1 249 1 . . . . . 4.8 3.8 5.8 1 1 250 1 . . . . . 3.8 3.1 4.5 1 1 251 1 . . . . . 3.8 3.1 4.5 1 1 252 1 . . . . . 2.4 2.1 2.7 1 1 253 1 . . . . . 5.4 4.4 6.4 1 1 254 1 . . . . . 4.2 3.5 4.9 1 1 255 1 . . . . . 4.6 3.3 5.9 1 1 256 1 . . . . . 5.2 3.9 6.5 1 1 257 1 . . . . . 5.8 4.5 7.1 1 1 258 1 . . . . . 5.8 4.5 7.1 1 1 259 1 . . . . . 5.2 3.9 6.5 1 1 260 1 . . . . . 3.4 2.1 4.7 1 1 261 1 . . . . . 5.2 3.9 6.5 1 1 262 1 . . . . . 4.6 3.3 5.9 1 1 263 1 . . . . . 5.2 3.9 6.5 1 1 264 1 . . . . . 5.8 4.5 7.1 1 1 265 1 . . . . . 5.2 3.9 6.5 1 1 266 1 . . . . . 5.2 3.9 6.5 1 1 267 1 . . . . . 5.4 4.4 6.4 1 1 268 1 . . . . . 3.2 2.5 3.9 1 1 269 1 . . . . . 2.8 2.3 3.3 1 1 270 1 . . . . . 3.8 3.1 4.5 1 1 271 1 . . . . . 3.8 3.1 4.5 1 1 272 1 . . . . . 4.8 3.8 5.8 1 1 273 1 . . . . . 3.8 3.1 4.5 1 1 274 1 . . . . . 3.8 3.1 4.5 1 1 275 1 . . . . . 2.4 2.1 2.7 1 1 276 1 . . . . . 5.4 4.4 6.4 1 1 277 1 . . . . . 5.4 4.4 6.4 1 1 278 1 . . . . . 4.2 3.5 4.9 1 1 279 1 . . . . . 4.0 2.7 5.3 1 1 280 1 . . . . . 4.0 2.7 5.3 1 1 281 1 . . . . . 4.6 3.3 5.9 1 1 282 1 . . . . . 5.2 3.9 6.5 1 1 283 1 . . . . . 5.2 3.9 6.5 1 1 284 1 . . . . . 4.8 3.8 5.8 1 1 285 1 . . . . . 5.4 4.4 6.4 1 1 286 1 . . . . . 2.8 2.3 3.3 1 1 287 1 . . . . . 3.4 2.7 4.1 1 1 288 1 . . . . . 3.4 2.7 4.1 1 1 289 1 . . . . . 3.2 2.5 3.9 1 1 290 1 . . . . . 3.8 3.1 4.5 1 1 291 1 . . . . . 3.8 3.1 4.5 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 CYS C C 6.111 -1.974 -5.303 1.00 . A A . 1 CYS C 1 1 1 2 1 1 1 CYS CA C 6.679 -2.209 -3.902 1.00 . A A . 1 CYS CA 1 1 1 3 1 1 1 CYS CB C 7.567 -1.027 -3.502 1.00 . A A . 1 CYS CB 1 1 1 4 1 1 1 CYS H1 H 7.053 -4.154 -3.262 1.00 . A A . 1 CYS H1 1 1 1 5 1 1 1 CYS H2 H 8.455 -3.246 -3.572 1.00 . A A . 1 CYS H2 1 1 1 6 1 1 1 CYS H3 H 7.527 -3.851 -4.862 1.00 . A A . 1 CYS H3 1 1 1 7 1 1 1 CYS HA H 5.868 -2.305 -3.197 1.00 . A A . 1 CYS HA 1 1 1 8 1 1 1 CYS HB2 H 7.819 -1.105 -2.456 1.00 . A A . 1 CYS HB2 1 1 1 9 1 1 1 CYS HB3 H 8.471 -1.042 -4.091 1.00 . A A . 1 CYS HB3 1 1 1 10 1 1 1 CYS N N 7.489 -3.460 -3.899 1.00 . A A . 1 CYS N 1 1 1 11 1 1 1 CYS O O 6.819 -1.603 -6.218 1.00 . A A . 1 CYS O 1 1 1 12 1 1 1 CYS SG S 6.684 0.529 -3.794 1.00 . A A . 1 CYS SG 1 1 1 13 1 1 2 SER C C 2.714 -2.233 -6.739 1.00 . A A . 2 SER C 1 1 1 14 1 1 2 SER CA C 4.221 -1.978 -6.818 1.00 . A A . 2 SER CA 1 1 1 15 1 1 2 SER CB C 4.849 -2.943 -7.823 1.00 . A A . 2 SER CB 1 1 1 16 1 1 2 SER H H 4.281 -2.488 -4.725 1.00 . A A . 2 SER H 1 1 1 17 1 1 2 SER HA H 4.397 -0.962 -7.138 1.00 . A A . 2 SER HA 1 1 1 18 1 1 2 SER HB2 H 4.165 -3.115 -8.637 1.00 . A A . 2 SER HB2 1 1 1 19 1 1 2 SER HB3 H 5.764 -2.515 -8.209 1.00 . A A . 2 SER HB3 1 1 1 20 1 1 2 SER HG H 4.896 -4.888 -7.784 1.00 . A A . 2 SER HG 1 1 1 21 1 1 2 SER N N 4.835 -2.189 -5.477 1.00 . A A . 2 SER N 1 1 1 22 1 1 2 SER O O 2.262 -3.360 -6.789 1.00 . A A . 2 SER O 1 1 1 23 1 1 2 SER OG O 5.124 -4.179 -7.177 1.00 . A A . 2 SER OG 1 1 1 24 1 1 3 CYS C C -0.198 -0.659 -7.733 1.00 . A A . 3 CYS C 1 1 1 25 1 1 3 CYS CA C 0.455 -1.379 -6.545 1.00 . A A . 3 CYS CA 1 1 1 26 1 1 3 CYS CB C -0.065 -0.794 -5.222 1.00 . A A . 3 CYS CB 1 1 1 27 1 1 3 CYS H H 2.315 -0.293 -6.587 1.00 . A A . 3 CYS H 1 1 1 28 1 1 3 CYS HA H 0.225 -2.433 -6.589 1.00 . A A . 3 CYS HA 1 1 1 29 1 1 3 CYS HB2 H 0.171 -1.470 -4.414 1.00 . A A . 3 CYS HB2 1 1 1 30 1 1 3 CYS HB3 H 0.407 0.160 -5.041 1.00 . A A . 3 CYS HB3 1 1 1 31 1 1 3 CYS N N 1.931 -1.195 -6.621 1.00 . A A . 3 CYS N 1 1 1 32 1 1 3 CYS O O 0.401 0.196 -8.353 1.00 . A A . 3 CYS O 1 1 1 33 1 1 3 CYS SG S -1.861 -0.574 -5.295 1.00 . A A . 3 CYS SG 1 1 1 34 1 1 4 SER C C -2.014 1.190 -9.012 1.00 . A A . 4 SER C 1 1 1 35 1 1 4 SER CA C -2.099 -0.325 -9.195 1.00 . A A . 4 SER CA 1 1 1 36 1 1 4 SER CB C -3.566 -0.754 -9.240 1.00 . A A . 4 SER CB 1 1 1 37 1 1 4 SER H H -1.889 -1.684 -7.538 1.00 . A A . 4 SER H 1 1 1 38 1 1 4 SER HA H -1.614 -0.601 -10.116 1.00 . A A . 4 SER HA 1 1 1 39 1 1 4 SER HB2 H -3.650 -1.708 -9.733 1.00 . A A . 4 SER HB2 1 1 1 40 1 1 4 SER HB3 H -3.947 -0.837 -8.232 1.00 . A A . 4 SER HB3 1 1 1 41 1 1 4 SER HG H -4.621 -0.196 -10.778 1.00 . A A . 4 SER HG 1 1 1 42 1 1 4 SER N N -1.419 -0.995 -8.052 1.00 . A A . 4 SER N 1 1 1 43 1 1 4 SER O O -1.503 1.902 -9.852 1.00 . A A . 4 SER O 1 1 1 44 1 1 4 SER OG O -4.316 0.213 -9.965 1.00 . A A . 4 SER OG 1 1 1 45 1 1 5 SER C C -1.773 3.397 -6.307 1.00 . A A . 5 SER C 1 1 1 46 1 1 5 SER CA C -2.453 3.149 -7.664 1.00 . A A . 5 SER CA 1 1 1 47 1 1 5 SER CB C -3.878 3.717 -7.654 1.00 . A A . 5 SER CB 1 1 1 48 1 1 5 SER H H -2.910 1.086 -7.251 1.00 . A A . 5 SER H 1 1 1 49 1 1 5 SER HA H -1.884 3.619 -8.453 1.00 . A A . 5 SER HA 1 1 1 50 1 1 5 SER HB2 H -3.983 4.443 -8.442 1.00 . A A . 5 SER HB2 1 1 1 51 1 1 5 SER HB3 H -4.584 2.913 -7.817 1.00 . A A . 5 SER HB3 1 1 1 52 1 1 5 SER HG H -5.041 4.662 -6.412 1.00 . A A . 5 SER HG 1 1 1 53 1 1 5 SER N N -2.508 1.683 -7.914 1.00 . A A . 5 SER N 1 1 1 54 1 1 5 SER O O -2.243 2.949 -5.280 1.00 . A A . 5 SER O 1 1 1 55 1 1 5 SER OG O -4.135 4.343 -6.403 1.00 . A A . 5 SER OG 1 1 1 56 1 1 6 LEU C C -0.830 5.076 -3.994 1.00 . A A . 6 LEU C 1 1 1 57 1 1 6 LEU CA C 0.062 4.330 -5.007 1.00 . A A . 6 LEU CA 1 1 1 58 1 1 6 LEU CB C 1.329 5.153 -5.270 1.00 . A A . 6 LEU CB 1 1 1 59 1 1 6 LEU CD1 C 2.382 3.442 -6.760 1.00 . A A . 6 LEU CD1 1 1 1 60 1 1 6 LEU CD2 C 3.816 5.009 -5.447 1.00 . A A . 6 LEU CD2 1 1 1 61 1 1 6 LEU CG C 2.515 4.204 -5.440 1.00 . A A . 6 LEU CG 1 1 1 62 1 1 6 LEU H H -0.284 4.418 -7.137 1.00 . A A . 6 LEU H 1 1 1 63 1 1 6 LEU HA H 0.353 3.379 -4.584 1.00 . A A . 6 LEU HA 1 1 1 64 1 1 6 LEU HB2 H 1.207 5.745 -6.168 1.00 . A A . 6 LEU HB2 1 1 1 65 1 1 6 LEU HB3 H 1.513 5.808 -4.432 1.00 . A A . 6 LEU HB3 1 1 1 66 1 1 6 LEU HD11 H 2.895 3.982 -7.542 1.00 . A A . 6 LEU HD11 1 1 1 67 1 1 6 LEU HD12 H 1.337 3.343 -7.016 1.00 . A A . 6 LEU HD12 1 1 1 68 1 1 6 LEU HD13 H 2.820 2.460 -6.655 1.00 . A A . 6 LEU HD13 1 1 1 69 1 1 6 LEU HD21 H 4.593 4.437 -5.931 1.00 . A A . 6 LEU HD21 1 1 1 70 1 1 6 LEU HD22 H 4.110 5.226 -4.430 1.00 . A A . 6 LEU HD22 1 1 1 71 1 1 6 LEU HD23 H 3.664 5.936 -5.981 1.00 . A A . 6 LEU HD23 1 1 1 72 1 1 6 LEU HG H 2.528 3.500 -4.623 1.00 . A A . 6 LEU HG 1 1 1 73 1 1 6 LEU N N -0.659 4.084 -6.296 1.00 . A A . 6 LEU N 1 1 1 74 1 1 6 LEU O O -0.525 5.117 -2.818 1.00 . A A . 6 LEU O 1 1 1 75 1 1 7 MET C C -3.791 5.465 -2.799 1.00 . A A . 7 MET C 1 1 1 76 1 1 7 MET CA C -2.779 6.417 -3.453 1.00 . A A . 7 MET CA 1 1 1 77 1 1 7 MET CB C -3.527 7.534 -4.190 1.00 . A A . 7 MET CB 1 1 1 78 1 1 7 MET CE C -3.052 10.314 -2.989 1.00 . A A . 7 MET CE 1 1 1 79 1 1 7 MET CG C -4.614 8.112 -3.280 1.00 . A A . 7 MET CG 1 1 1 80 1 1 7 MET H H -2.153 5.655 -5.366 1.00 . A A . 7 MET H 1 1 1 81 1 1 7 MET HA H -2.158 6.855 -2.686 1.00 . A A . 7 MET HA 1 1 1 82 1 1 7 MET HB2 H -2.831 8.315 -4.459 1.00 . A A . 7 MET HB2 1 1 1 83 1 1 7 MET HB3 H -3.984 7.137 -5.084 1.00 . A A . 7 MET HB3 1 1 1 84 1 1 7 MET HE1 H -2.459 9.412 -2.933 1.00 . A A . 7 MET HE1 1 1 1 85 1 1 7 MET HE2 H -3.095 10.773 -2.014 1.00 . A A . 7 MET HE2 1 1 1 86 1 1 7 MET HE3 H -2.604 11.004 -3.690 1.00 . A A . 7 MET HE3 1 1 1 87 1 1 7 MET HG2 H -5.563 7.655 -3.517 1.00 . A A . 7 MET HG2 1 1 1 88 1 1 7 MET HG3 H -4.366 7.913 -2.249 1.00 . A A . 7 MET HG3 1 1 1 89 1 1 7 MET N N -1.913 5.678 -4.420 1.00 . A A . 7 MET N 1 1 1 90 1 1 7 MET O O -4.517 5.846 -1.902 1.00 . A A . 7 MET O 1 1 1 91 1 1 7 MET SD S -4.726 9.900 -3.538 1.00 . A A . 7 MET SD 1 1 1 92 1 1 8 ASP C C -4.645 3.270 -1.101 1.00 . A A . 8 ASP C 1 1 1 93 1 1 8 ASP CA C -4.818 3.276 -2.623 1.00 . A A . 8 ASP CA 1 1 1 94 1 1 8 ASP CB C -4.562 1.865 -3.165 1.00 . A A . 8 ASP CB 1 1 1 95 1 1 8 ASP CG C -5.858 1.053 -3.107 1.00 . A A . 8 ASP CG 1 1 1 96 1 1 8 ASP H H -3.260 3.941 -3.955 1.00 . A A . 8 ASP H 1 1 1 97 1 1 8 ASP HA H -5.825 3.579 -2.869 1.00 . A A . 8 ASP HA 1 1 1 98 1 1 8 ASP HB2 H -4.222 1.925 -4.188 1.00 . A A . 8 ASP HB2 1 1 1 99 1 1 8 ASP HB3 H -3.809 1.379 -2.563 1.00 . A A . 8 ASP HB3 1 1 1 100 1 1 8 ASP N N -3.849 4.234 -3.232 1.00 . A A . 8 ASP N 1 1 1 101 1 1 8 ASP O O -3.893 4.049 -0.549 1.00 . A A . 8 ASP O 1 1 1 102 1 1 8 ASP OD1 O -6.633 1.275 -2.192 1.00 . A A . 8 ASP OD1 1 1 1 103 1 1 8 ASP OD2 O -6.052 0.223 -3.980 1.00 . A A . 8 ASP OD2 1 1 1 104 1 1 9 LYS C C -4.462 1.056 1.472 1.00 . A A . 9 LYS C 1 1 1 105 1 1 9 LYS CA C -5.213 2.337 1.066 1.00 . A A . 9 LYS CA 1 1 1 106 1 1 9 LYS CB C -6.610 2.361 1.707 1.00 . A A . 9 LYS CB 1 1 1 107 1 1 9 LYS CD C -6.837 4.858 1.706 1.00 . A A . 9 LYS CD 1 1 1 108 1 1 9 LYS CE C -5.762 5.377 0.749 1.00 . A A . 9 LYS CE 1 1 1 109 1 1 9 LYS CG C -7.417 3.549 1.164 1.00 . A A . 9 LYS CG 1 1 1 110 1 1 9 LYS H H -5.933 1.781 -0.891 1.00 . A A . 9 LYS H 1 1 1 111 1 1 9 LYS HA H -4.648 3.193 1.408 1.00 . A A . 9 LYS HA 1 1 1 112 1 1 9 LYS HB2 H -7.127 1.442 1.479 1.00 . A A . 9 LYS HB2 1 1 1 113 1 1 9 LYS HB3 H -6.511 2.460 2.779 1.00 . A A . 9 LYS HB3 1 1 1 114 1 1 9 LYS HD2 H -7.626 5.591 1.794 1.00 . A A . 9 LYS HD2 1 1 1 115 1 1 9 LYS HD3 H -6.398 4.683 2.676 1.00 . A A . 9 LYS HD3 1 1 1 116 1 1 9 LYS HE2 H -4.792 5.033 1.077 1.00 . A A . 9 LYS HE2 1 1 1 117 1 1 9 LYS HE3 H -5.958 5.008 -0.247 1.00 . A A . 9 LYS HE3 1 1 1 118 1 1 9 LYS HG2 H -7.375 3.555 0.084 1.00 . A A . 9 LYS HG2 1 1 1 119 1 1 9 LYS HG3 H -8.447 3.462 1.481 1.00 . A A . 9 LYS HG3 1 1 1 120 1 1 9 LYS HZ1 H -6.401 7.200 -0.028 1.00 . A A . 9 LYS HZ1 1 1 1 121 1 1 9 LYS HZ2 H -4.818 7.226 0.590 1.00 . A A . 9 LYS HZ2 1 1 1 122 1 1 9 LYS HZ3 H -6.147 7.214 1.648 1.00 . A A . 9 LYS HZ3 1 1 1 123 1 1 9 LYS N N -5.336 2.396 -0.422 1.00 . A A . 9 LYS N 1 1 1 124 1 1 9 LYS NZ N -5.784 6.866 0.739 1.00 . A A . 9 LYS NZ 1 1 1 125 1 1 9 LYS O O -3.299 1.106 1.818 1.00 . A A . 9 LYS O 1 1 1 126 1 1 10 GLU C C -3.414 -1.732 0.714 1.00 . A A . 10 GLU C 1 1 1 127 1 1 10 GLU CA C -4.386 -1.341 1.825 1.00 . A A . 10 GLU CA 1 1 1 128 1 1 10 GLU CB C -5.394 -2.471 2.039 1.00 . A A . 10 GLU CB 1 1 1 129 1 1 10 GLU CD C -7.540 -3.009 3.197 1.00 . A A . 10 GLU CD 1 1 1 130 1 1 10 GLU CG C -6.699 -1.890 2.579 1.00 . A A . 10 GLU CG 1 1 1 131 1 1 10 GLU H H -6.035 -0.133 1.158 1.00 . A A . 10 GLU H 1 1 1 132 1 1 10 GLU HA H -3.838 -1.168 2.737 1.00 . A A . 10 GLU HA 1 1 1 133 1 1 10 GLU HB2 H -5.582 -2.968 1.098 1.00 . A A . 10 GLU HB2 1 1 1 134 1 1 10 GLU HB3 H -4.996 -3.180 2.748 1.00 . A A . 10 GLU HB3 1 1 1 135 1 1 10 GLU HG2 H -6.475 -1.148 3.331 1.00 . A A . 10 GLU HG2 1 1 1 136 1 1 10 GLU HG3 H -7.248 -1.433 1.771 1.00 . A A . 10 GLU HG3 1 1 1 137 1 1 10 GLU N N -5.100 -0.090 1.437 1.00 . A A . 10 GLU N 1 1 1 138 1 1 10 GLU O O -2.352 -2.265 0.963 1.00 . A A . 10 GLU O 1 1 1 139 1 1 10 GLU OE1 O -7.656 -4.050 2.573 1.00 . A A . 10 GLU OE1 1 1 1 140 1 1 10 GLU OE2 O -8.055 -2.805 4.285 1.00 . A A . 10 GLU OE2 1 1 1 141 1 1 11 CYS C C -1.601 -0.917 -1.487 1.00 . A A . 11 CYS C 1 1 1 142 1 1 11 CYS CA C -2.847 -1.782 -1.633 1.00 . A A . 11 CYS CA 1 1 1 143 1 1 11 CYS CB C -3.544 -1.477 -2.960 1.00 . A A . 11 CYS CB 1 1 1 144 1 1 11 CYS H H -4.610 -1.001 -0.687 1.00 . A A . 11 CYS H 1 1 1 145 1 1 11 CYS HA H -2.575 -2.825 -1.591 1.00 . A A . 11 CYS HA 1 1 1 146 1 1 11 CYS HB2 H -4.535 -1.908 -2.954 1.00 . A A . 11 CYS HB2 1 1 1 147 1 1 11 CYS HB3 H -3.617 -0.408 -3.090 1.00 . A A . 11 CYS HB3 1 1 1 148 1 1 11 CYS N N -3.761 -1.451 -0.510 1.00 . A A . 11 CYS N 1 1 1 149 1 1 11 CYS O O -0.562 -1.183 -2.059 1.00 . A A . 11 CYS O 1 1 1 150 1 1 11 CYS SG S -2.590 -2.186 -4.324 1.00 . A A . 11 CYS SG 1 1 1 151 1 1 12 VAL C C 0.367 0.462 0.573 1.00 . A A . 12 VAL C 1 1 1 152 1 1 12 VAL CA C -0.573 1.042 -0.493 1.00 . A A . 12 VAL CA 1 1 1 153 1 1 12 VAL CB C -1.140 2.387 -0.036 1.00 . A A . 12 VAL CB 1 1 1 154 1 1 12 VAL CG1 C -0.084 3.181 0.719 1.00 . A A . 12 VAL CG1 1 1 1 155 1 1 12 VAL CG2 C -1.586 3.171 -1.263 1.00 . A A . 12 VAL CG2 1 1 1 156 1 1 12 VAL H H -2.568 0.310 -0.273 1.00 . A A . 12 VAL H 1 1 1 157 1 1 12 VAL HA H -0.035 1.176 -1.417 1.00 . A A . 12 VAL HA 1 1 1 158 1 1 12 VAL HB H -1.989 2.223 0.609 1.00 . A A . 12 VAL HB 1 1 1 159 1 1 12 VAL HG11 H -0.095 4.203 0.377 1.00 . A A . 12 VAL HG11 1 1 1 160 1 1 12 VAL HG12 H 0.885 2.745 0.539 1.00 . A A . 12 VAL HG12 1 1 1 161 1 1 12 VAL HG13 H -0.305 3.150 1.776 1.00 . A A . 12 VAL HG13 1 1 1 162 1 1 12 VAL HG21 H -0.785 3.188 -1.986 1.00 . A A . 12 VAL HG21 1 1 1 163 1 1 12 VAL HG22 H -1.835 4.179 -0.973 1.00 . A A . 12 VAL HG22 1 1 1 164 1 1 12 VAL HG23 H -2.452 2.693 -1.696 1.00 . A A . 12 VAL HG23 1 1 1 165 1 1 12 VAL N N -1.714 0.124 -0.714 1.00 . A A . 12 VAL N 1 1 1 166 1 1 12 VAL O O 1.569 0.619 0.503 1.00 . A A . 12 VAL O 1 1 1 167 1 1 13 TYR C C 1.635 -1.812 2.021 1.00 . A A . 13 TYR C 1 1 1 168 1 1 13 TYR CA C 0.689 -0.782 2.628 1.00 . A A . 13 TYR CA 1 1 1 169 1 1 13 TYR CB C -0.201 -1.459 3.670 1.00 . A A . 13 TYR CB 1 1 1 170 1 1 13 TYR CD1 C -0.614 0.853 4.574 1.00 . A A . 13 TYR CD1 1 1 1 171 1 1 13 TYR CD2 C -2.436 -0.747 4.585 1.00 . A A . 13 TYR CD2 1 1 1 172 1 1 13 TYR CE1 C -1.453 1.813 5.150 1.00 . A A . 13 TYR CE1 1 1 1 173 1 1 13 TYR CE2 C -3.276 0.215 5.161 1.00 . A A . 13 TYR CE2 1 1 1 174 1 1 13 TYR CG C -1.106 -0.428 4.291 1.00 . A A . 13 TYR CG 1 1 1 175 1 1 13 TYR CZ C -2.783 1.494 5.443 1.00 . A A . 13 TYR CZ 1 1 1 176 1 1 13 TYR H H -1.138 -0.317 1.602 1.00 . A A . 13 TYR H 1 1 1 177 1 1 13 TYR HA H 1.261 0.002 3.098 1.00 . A A . 13 TYR HA 1 1 1 178 1 1 13 TYR HB2 H -0.798 -2.223 3.193 1.00 . A A . 13 TYR HB2 1 1 1 179 1 1 13 TYR HB3 H 0.413 -1.907 4.435 1.00 . A A . 13 TYR HB3 1 1 1 180 1 1 13 TYR HD1 H 0.412 1.098 4.348 1.00 . A A . 13 TYR HD1 1 1 1 181 1 1 13 TYR HD2 H -2.816 -1.735 4.367 1.00 . A A . 13 TYR HD2 1 1 1 182 1 1 13 TYR HE1 H -1.073 2.801 5.368 1.00 . A A . 13 TYR HE1 1 1 1 183 1 1 13 TYR HE2 H -4.303 -0.031 5.387 1.00 . A A . 13 TYR HE2 1 1 1 184 1 1 13 TYR HH H -3.405 2.492 6.948 1.00 . A A . 13 TYR HH 1 1 1 185 1 1 13 TYR N N -0.170 -0.201 1.561 1.00 . A A . 13 TYR N 1 1 1 186 1 1 13 TYR O O 2.677 -2.113 2.568 1.00 . A A . 13 TYR O 1 1 1 187 1 1 13 TYR OH O -3.611 2.441 6.011 1.00 . A A . 13 TYR OH 1 1 1 188 1 1 14 PHE C C 3.452 -2.744 -0.222 1.00 . A A . 14 PHE C 1 1 1 189 1 1 14 PHE CA C 2.148 -3.386 0.265 1.00 . A A . 14 PHE CA 1 1 1 190 1 1 14 PHE CB C 1.403 -4.024 -0.907 1.00 . A A . 14 PHE CB 1 1 1 191 1 1 14 PHE CD1 C -0.170 -4.776 0.918 1.00 . A A . 14 PHE CD1 1 1 1 192 1 1 14 PHE CD2 C -1.010 -4.613 -1.351 1.00 . A A . 14 PHE CD2 1 1 1 193 1 1 14 PHE CE1 C -1.429 -5.199 1.357 1.00 . A A . 14 PHE CE1 1 1 1 194 1 1 14 PHE CE2 C -2.272 -5.036 -0.912 1.00 . A A . 14 PHE CE2 1 1 1 195 1 1 14 PHE CG C 0.041 -4.483 -0.437 1.00 . A A . 14 PHE CG 1 1 1 196 1 1 14 PHE CZ C -2.480 -5.328 0.442 1.00 . A A . 14 PHE CZ 1 1 1 197 1 1 14 PHE H H 0.424 -2.116 0.480 1.00 . A A . 14 PHE H 1 1 1 198 1 1 14 PHE HA H 2.378 -4.147 0.996 1.00 . A A . 14 PHE HA 1 1 1 199 1 1 14 PHE HB2 H 1.287 -3.299 -1.699 1.00 . A A . 14 PHE HB2 1 1 1 200 1 1 14 PHE HB3 H 1.962 -4.873 -1.272 1.00 . A A . 14 PHE HB3 1 1 1 201 1 1 14 PHE HD1 H 0.641 -4.677 1.624 1.00 . A A . 14 PHE HD1 1 1 1 202 1 1 14 PHE HD2 H -0.850 -4.388 -2.395 1.00 . A A . 14 PHE HD2 1 1 1 203 1 1 14 PHE HE1 H -1.591 -5.424 2.400 1.00 . A A . 14 PHE HE1 1 1 1 204 1 1 14 PHE HE2 H -3.083 -5.137 -1.617 1.00 . A A . 14 PHE HE2 1 1 1 205 1 1 14 PHE HZ H -3.452 -5.654 0.781 1.00 . A A . 14 PHE HZ 1 1 1 206 1 1 14 PHE N N 1.275 -2.364 0.899 1.00 . A A . 14 PHE N 1 1 1 207 1 1 14 PHE O O 4.474 -3.396 -0.303 1.00 . A A . 14 PHE O 1 1 1 208 1 1 15 CYS C C 5.546 -0.376 0.172 1.00 . A A . 15 CYS C 1 1 1 209 1 1 15 CYS CA C 4.692 -0.823 -1.023 1.00 . A A . 15 CYS CA 1 1 1 210 1 1 15 CYS CB C 4.343 0.394 -1.879 1.00 . A A . 15 CYS CB 1 1 1 211 1 1 15 CYS H H 2.606 -0.957 -0.482 1.00 . A A . 15 CYS H 1 1 1 212 1 1 15 CYS HA H 5.255 -1.526 -1.620 1.00 . A A . 15 CYS HA 1 1 1 213 1 1 15 CYS HB2 H 3.293 0.609 -1.783 1.00 . A A . 15 CYS HB2 1 1 1 214 1 1 15 CYS HB3 H 4.913 1.246 -1.546 1.00 . A A . 15 CYS HB3 1 1 1 215 1 1 15 CYS N N 3.437 -1.476 -0.547 1.00 . A A . 15 CYS N 1 1 1 216 1 1 15 CYS O O 6.374 0.505 0.051 1.00 . A A . 15 CYS O 1 1 1 217 1 1 15 CYS SG S 4.730 0.044 -3.612 1.00 . A A . 15 CYS SG 1 1 1 218 1 1 16 HIS C C 5.648 0.731 3.097 1.00 . A A . 16 HIS C 1 1 1 219 1 1 16 HIS CA C 6.178 -0.583 2.509 1.00 . A A . 16 HIS CA 1 1 1 220 1 1 16 HIS CB C 7.636 -0.396 2.087 1.00 . A A . 16 HIS CB 1 1 1 221 1 1 16 HIS CD2 C 8.668 -1.358 -0.132 1.00 . A A . 16 HIS CD2 1 1 1 222 1 1 16 HIS CE1 C 8.130 -3.437 0.147 1.00 . A A . 16 HIS CE1 1 1 1 223 1 1 16 HIS CG C 8.001 -1.439 1.065 1.00 . A A . 16 HIS CG 1 1 1 224 1 1 16 HIS H H 4.697 -1.687 1.404 1.00 . A A . 16 HIS H 1 1 1 225 1 1 16 HIS HA H 6.123 -1.363 3.256 1.00 . A A . 16 HIS HA 1 1 1 226 1 1 16 HIS HB2 H 7.764 0.588 1.658 1.00 . A A . 16 HIS HB2 1 1 1 227 1 1 16 HIS HB3 H 8.278 -0.499 2.948 1.00 . A A . 16 HIS HB3 1 1 1 228 1 1 16 HIS HD1 H 7.181 -3.165 1.978 1.00 . A A . 16 HIS HD1 1 1 1 229 1 1 16 HIS HD2 H 9.072 -0.451 -0.559 1.00 . A A . 16 HIS HD2 1 1 1 230 1 1 16 HIS HE1 H 8.015 -4.501 -0.006 1.00 . A A . 16 HIS HE1 1 1 1 231 1 1 16 HIS N N 5.363 -0.976 1.321 1.00 . A A . 16 HIS N 1 1 1 232 1 1 16 HIS ND1 N 7.666 -2.775 1.221 1.00 . A A . 16 HIS ND1 1 1 1 233 1 1 16 HIS NE2 N 8.749 -2.621 -0.709 1.00 . A A . 16 HIS NE2 1 1 1 234 1 1 16 HIS O O 6.409 1.607 3.456 1.00 . A A . 16 HIS O 1 1 1 235 1 1 17 LEU C C 3.188 1.879 5.130 1.00 . A A . 17 LEU C 1 1 1 236 1 1 17 LEU CA C 3.789 2.140 3.747 1.00 . A A . 17 LEU CA 1 1 1 237 1 1 17 LEU CB C 2.694 2.636 2.817 1.00 . A A . 17 LEU CB 1 1 1 238 1 1 17 LEU CD1 C 3.515 2.296 0.482 1.00 . A A . 17 LEU CD1 1 1 1 239 1 1 17 LEU CD2 C 2.396 4.437 1.113 1.00 . A A . 17 LEU CD2 1 1 1 240 1 1 17 LEU CG C 3.319 3.319 1.600 1.00 . A A . 17 LEU CG 1 1 1 241 1 1 17 LEU H H 3.748 0.178 2.895 1.00 . A A . 17 LEU H 1 1 1 242 1 1 17 LEU HA H 4.567 2.886 3.822 1.00 . A A . 17 LEU HA 1 1 1 243 1 1 17 LEU HB2 H 2.092 1.803 2.496 1.00 . A A . 17 LEU HB2 1 1 1 244 1 1 17 LEU HB3 H 2.080 3.331 3.343 1.00 . A A . 17 LEU HB3 1 1 1 245 1 1 17 LEU HD11 H 2.705 2.380 -0.229 1.00 . A A . 17 LEU HD11 1 1 1 246 1 1 17 LEU HD12 H 3.522 1.301 0.901 1.00 . A A . 17 LEU HD12 1 1 1 247 1 1 17 LEU HD13 H 4.453 2.481 -0.018 1.00 . A A . 17 LEU HD13 1 1 1 248 1 1 17 LEU HD21 H 2.940 5.371 1.093 1.00 . A A . 17 LEU HD21 1 1 1 249 1 1 17 LEU HD22 H 1.554 4.526 1.782 1.00 . A A . 17 LEU HD22 1 1 1 250 1 1 17 LEU HD23 H 2.044 4.204 0.119 1.00 . A A . 17 LEU HD23 1 1 1 251 1 1 17 LEU HG H 4.277 3.736 1.877 1.00 . A A . 17 LEU HG 1 1 1 252 1 1 17 LEU N N 4.353 0.883 3.193 1.00 . A A . 17 LEU N 1 1 1 253 1 1 17 LEU O O 2.003 2.041 5.339 1.00 . A A . 17 LEU O 1 1 1 254 1 1 18 ASP C C 2.123 0.520 7.373 1.00 . A A . 18 ASP C 1 1 1 255 1 1 18 ASP CA C 3.485 1.219 7.449 1.00 . A A . 18 ASP CA 1 1 1 256 1 1 18 ASP CB C 3.336 2.545 8.199 1.00 . A A . 18 ASP CB 1 1 1 257 1 1 18 ASP CG C 2.538 2.320 9.485 1.00 . A A . 18 ASP CG 1 1 1 258 1 1 18 ASP H H 4.947 1.376 5.877 1.00 . A A . 18 ASP H 1 1 1 259 1 1 18 ASP HA H 4.185 0.588 7.977 1.00 . A A . 18 ASP HA 1 1 1 260 1 1 18 ASP HB2 H 4.314 2.931 8.445 1.00 . A A . 18 ASP HB2 1 1 1 261 1 1 18 ASP HB3 H 2.815 3.254 7.574 1.00 . A A . 18 ASP HB3 1 1 1 262 1 1 18 ASP N N 3.998 1.488 6.074 1.00 . A A . 18 ASP N 1 1 1 263 1 1 18 ASP O O 1.099 1.111 7.648 1.00 . A A . 18 ASP O 1 1 1 264 1 1 18 ASP OD1 O 3.113 1.813 10.435 1.00 . A A . 18 ASP OD1 1 1 1 265 1 1 18 ASP OD2 O 1.366 2.660 9.501 1.00 . A A . 18 ASP OD2 1 1 1 266 1 1 19 ILE C C 0.094 -1.395 8.266 1.00 . A A . 19 ILE C 1 1 1 267 1 1 19 ILE CA C 0.804 -1.455 6.910 1.00 . A A . 19 ILE CA 1 1 1 268 1 1 19 ILE CB C 1.057 -2.919 6.513 1.00 . A A . 19 ILE CB 1 1 1 269 1 1 19 ILE CD1 C 1.580 -5.215 7.361 1.00 . A A . 19 ILE CD1 1 1 1 270 1 1 19 ILE CG1 C 1.437 -3.745 7.749 1.00 . A A . 19 ILE CG1 1 1 1 271 1 1 19 ILE CG2 C 2.196 -2.986 5.496 1.00 . A A . 19 ILE CG2 1 1 1 272 1 1 19 ILE H H 2.934 -1.195 6.780 1.00 . A A . 19 ILE H 1 1 1 273 1 1 19 ILE HA H 0.183 -0.984 6.162 1.00 . A A . 19 ILE HA 1 1 1 274 1 1 19 ILE HB H 0.164 -3.327 6.069 1.00 . A A . 19 ILE HB 1 1 1 275 1 1 19 ILE HD11 H 2.626 -5.475 7.317 1.00 . A A . 19 ILE HD11 1 1 1 276 1 1 19 ILE HD12 H 1.126 -5.378 6.395 1.00 . A A . 19 ILE HD12 1 1 1 277 1 1 19 ILE HD13 H 1.087 -5.831 8.099 1.00 . A A . 19 ILE HD13 1 1 1 278 1 1 19 ILE HG12 H 2.372 -3.385 8.150 1.00 . A A . 19 ILE HG12 1 1 1 279 1 1 19 ILE HG13 H 0.664 -3.650 8.496 1.00 . A A . 19 ILE HG13 1 1 1 280 1 1 19 ILE HG21 H 2.250 -2.053 4.953 1.00 . A A . 19 ILE HG21 1 1 1 281 1 1 19 ILE HG22 H 2.015 -3.795 4.804 1.00 . A A . 19 ILE HG22 1 1 1 282 1 1 19 ILE HG23 H 3.130 -3.157 6.011 1.00 . A A . 19 ILE HG23 1 1 1 283 1 1 19 ILE N N 2.102 -0.732 7.000 1.00 . A A . 19 ILE N 1 1 1 284 1 1 19 ILE O O 0.659 -1.739 9.286 1.00 . A A . 19 ILE O 1 1 1 285 1 1 20 ILE C C -3.032 -1.870 9.589 1.00 . A A . 20 ILE C 1 1 1 286 1 1 20 ILE CA C -1.856 -0.896 9.600 1.00 . A A . 20 ILE CA 1 1 1 287 1 1 20 ILE CB C -2.367 0.526 9.835 1.00 . A A . 20 ILE CB 1 1 1 288 1 1 20 ILE CD1 C -0.337 0.808 11.271 1.00 . A A . 20 ILE CD1 1 1 1 289 1 1 20 ILE CG1 C -1.188 1.442 10.168 1.00 . A A . 20 ILE CG1 1 1 1 290 1 1 20 ILE CG2 C -3.358 0.529 11.002 1.00 . A A . 20 ILE CG2 1 1 1 291 1 1 20 ILE H H -1.584 -0.679 7.465 1.00 . A A . 20 ILE H 1 1 1 292 1 1 20 ILE HA H -1.179 -1.173 10.396 1.00 . A A . 20 ILE HA 1 1 1 293 1 1 20 ILE HB H -2.861 0.882 8.942 1.00 . A A . 20 ILE HB 1 1 1 294 1 1 20 ILE HD11 H 0.383 0.135 10.829 1.00 . A A . 20 ILE HD11 1 1 1 295 1 1 20 ILE HD12 H -0.976 0.258 11.948 1.00 . A A . 20 ILE HD12 1 1 1 296 1 1 20 ILE HD13 H 0.181 1.582 11.816 1.00 . A A . 20 ILE HD13 1 1 1 297 1 1 20 ILE HG12 H -0.584 1.588 9.284 1.00 . A A . 20 ILE HG12 1 1 1 298 1 1 20 ILE HG13 H -1.562 2.391 10.510 1.00 . A A . 20 ILE HG13 1 1 1 299 1 1 20 ILE HG21 H -3.194 1.407 11.609 1.00 . A A . 20 ILE HG21 1 1 1 300 1 1 20 ILE HG22 H -3.209 -0.356 11.602 1.00 . A A . 20 ILE HG22 1 1 1 301 1 1 20 ILE HG23 H -4.366 0.539 10.617 1.00 . A A . 20 ILE HG23 1 1 1 302 1 1 20 ILE N N -1.135 -0.962 8.296 1.00 . A A . 20 ILE N 1 1 1 303 1 1 20 ILE O O -4.171 -1.486 9.412 1.00 . A A . 20 ILE O 1 1 1 304 1 1 21 TRP C C -4.919 -3.729 10.830 1.00 . A A . 21 TRP C 1 1 1 305 1 1 21 TRP CA C -3.871 -4.131 9.790 1.00 . A A . 21 TRP CA 1 1 1 306 1 1 21 TRP CB C -3.349 -5.541 10.118 1.00 . A A . 21 TRP CB 1 1 1 307 1 1 21 TRP CD1 C -1.133 -6.463 10.894 1.00 . A A . 21 TRP CD1 1 1 1 308 1 1 21 TRP CD2 C -1.612 -4.501 11.887 1.00 . A A . 21 TRP CD2 1 1 1 309 1 1 21 TRP CE2 C -0.358 -4.920 12.393 1.00 . A A . 21 TRP CE2 1 1 1 310 1 1 21 TRP CE3 C -2.139 -3.286 12.359 1.00 . A A . 21 TRP CE3 1 1 1 311 1 1 21 TRP CG C -2.083 -5.500 10.927 1.00 . A A . 21 TRP CG 1 1 1 312 1 1 21 TRP CH2 C -0.195 -2.960 13.787 1.00 . A A . 21 TRP CH2 1 1 1 313 1 1 21 TRP CZ2 C 0.345 -4.164 13.330 1.00 . A A . 21 TRP CZ2 1 1 1 314 1 1 21 TRP CZ3 C -1.434 -2.521 13.303 1.00 . A A . 21 TRP CZ3 1 1 1 315 1 1 21 TRP H H -1.839 -3.413 9.926 1.00 . A A . 21 TRP H 1 1 1 316 1 1 21 TRP HA H -4.334 -4.145 8.814 1.00 . A A . 21 TRP HA 1 1 1 317 1 1 21 TRP HB2 H -4.104 -6.073 10.677 1.00 . A A . 21 TRP HB2 1 1 1 318 1 1 21 TRP HB3 H -3.162 -6.068 9.193 1.00 . A A . 21 TRP HB3 1 1 1 319 1 1 21 TRP HD1 H -1.167 -7.357 10.288 1.00 . A A . 21 TRP HD1 1 1 1 320 1 1 21 TRP HE1 H 0.700 -6.648 11.914 1.00 . A A . 21 TRP HE1 1 1 1 321 1 1 21 TRP HE3 H -3.087 -2.937 11.990 1.00 . A A . 21 TRP HE3 1 1 1 322 1 1 21 TRP HH2 H 0.342 -2.367 14.513 1.00 . A A . 21 TRP HH2 1 1 1 323 1 1 21 TRP HZ2 H 1.300 -4.507 13.698 1.00 . A A . 21 TRP HZ2 1 1 1 324 1 1 21 TRP HZ3 H -1.850 -1.590 13.657 1.00 . A A . 21 TRP HZ3 1 1 1 325 1 1 21 TRP N N -2.764 -3.132 9.784 1.00 . A A . 21 TRP N 1 1 1 326 1 1 21 TRP NE1 N -0.110 -6.119 11.758 1.00 . A A . 21 TRP NE1 1 1 1 327 1 1 21 TRP O O -5.708 -2.847 10.535 1.00 . A A . 21 TRP O 1 1 1 328 1 1 21 TRP OXT O -4.913 -4.310 11.903 1.00 . A A . 21 TRP OXT 1 1 2 329 1 1 1 CYS C C 5.888 -1.771 -5.224 1.00 . A A . 1 CYS C 1 1 2 330 1 1 1 CYS CA C 6.455 -2.181 -3.865 1.00 . A A . 1 CYS CA 1 1 2 331 1 1 1 CYS CB C 7.762 -1.427 -3.609 1.00 . A A . 1 CYS CB 1 1 2 332 1 1 1 CYS H1 H 7.744 -3.816 -3.836 1.00 . A A . 1 CYS H1 1 1 2 333 1 1 1 CYS H2 H 6.315 -4.075 -4.718 1.00 . A A . 1 CYS H2 1 1 2 334 1 1 1 CYS H3 H 6.281 -4.076 -3.019 1.00 . A A . 1 CYS H3 1 1 2 335 1 1 1 CYS HA H 5.743 -1.940 -3.091 1.00 . A A . 1 CYS HA 1 1 2 336 1 1 1 CYS HB2 H 8.419 -2.039 -3.009 1.00 . A A . 1 CYS HB2 1 1 2 337 1 1 1 CYS HB3 H 8.238 -1.204 -4.552 1.00 . A A . 1 CYS HB3 1 1 2 338 1 1 1 CYS N N 6.719 -3.648 -3.858 1.00 . A A . 1 CYS N 1 1 2 339 1 1 1 CYS O O 6.579 -1.210 -6.052 1.00 . A A . 1 CYS O 1 1 2 340 1 1 1 CYS SG S 7.408 0.116 -2.732 1.00 . A A . 1 CYS SG 1 1 2 341 1 1 2 SER C C 2.560 -2.098 -6.798 1.00 . A A . 2 SER C 1 1 2 342 1 1 2 SER CA C 4.028 -1.668 -6.771 1.00 . A A . 2 SER CA 1 1 2 343 1 1 2 SER CB C 4.784 -2.366 -7.903 1.00 . A A . 2 SER CB 1 1 2 344 1 1 2 SER H H 4.094 -2.497 -4.783 1.00 . A A . 2 SER H 1 1 2 345 1 1 2 SER HA H 4.092 -0.598 -6.902 1.00 . A A . 2 SER HA 1 1 2 346 1 1 2 SER HB2 H 4.093 -2.644 -8.681 1.00 . A A . 2 SER HB2 1 1 2 347 1 1 2 SER HB3 H 5.526 -1.692 -8.307 1.00 . A A . 2 SER HB3 1 1 2 348 1 1 2 SER HG H 6.099 -3.795 -8.014 1.00 . A A . 2 SER HG 1 1 2 349 1 1 2 SER N N 4.635 -2.044 -5.464 1.00 . A A . 2 SER N 1 1 2 350 1 1 2 SER O O 2.243 -3.249 -7.029 1.00 . A A . 2 SER O 1 1 2 351 1 1 2 SER OG O 5.412 -3.535 -7.395 1.00 . A A . 2 SER OG 1 1 2 352 1 1 3 CYS C C -0.464 -0.815 -7.759 1.00 . A A . 3 CYS C 1 1 2 353 1 1 3 CYS CA C 0.212 -1.537 -6.587 1.00 . A A . 3 CYS CA 1 1 2 354 1 1 3 CYS CB C -0.438 -1.111 -5.262 1.00 . A A . 3 CYS CB 1 1 2 355 1 1 3 CYS H H 1.936 -0.259 -6.388 1.00 . A A . 3 CYS H 1 1 2 356 1 1 3 CYS HA H 0.111 -2.606 -6.711 1.00 . A A . 3 CYS HA 1 1 2 357 1 1 3 CYS HB2 H -0.140 -1.794 -4.482 1.00 . A A . 3 CYS HB2 1 1 2 358 1 1 3 CYS HB3 H -0.116 -0.112 -5.007 1.00 . A A . 3 CYS HB3 1 1 2 359 1 1 3 CYS N N 1.660 -1.181 -6.568 1.00 . A A . 3 CYS N 1 1 2 360 1 1 3 CYS O O 0.059 0.145 -8.289 1.00 . A A . 3 CYS O 1 1 2 361 1 1 3 CYS SG S -2.242 -1.141 -5.414 1.00 . A A . 3 CYS SG 1 1 2 362 1 1 4 SER C C -2.241 0.912 -9.133 1.00 . A A . 4 SER C 1 1 2 363 1 1 4 SER CA C -2.321 -0.604 -9.303 1.00 . A A . 4 SER CA 1 1 2 364 1 1 4 SER CB C -3.787 -1.039 -9.321 1.00 . A A . 4 SER CB 1 1 2 365 1 1 4 SER H H -2.025 -2.043 -7.729 1.00 . A A . 4 SER H 1 1 2 366 1 1 4 SER HA H -1.850 -0.884 -10.230 1.00 . A A . 4 SER HA 1 1 2 367 1 1 4 SER HB2 H -3.878 -1.984 -9.829 1.00 . A A . 4 SER HB2 1 1 2 368 1 1 4 SER HB3 H -4.142 -1.144 -8.305 1.00 . A A . 4 SER HB3 1 1 2 369 1 1 4 SER HG H -3.992 0.358 -10.660 1.00 . A A . 4 SER HG 1 1 2 370 1 1 4 SER N N -1.619 -1.269 -8.169 1.00 . A A . 4 SER N 1 1 2 371 1 1 4 SER O O -1.738 1.619 -9.983 1.00 . A A . 4 SER O 1 1 2 372 1 1 4 SER OG O -4.557 -0.062 -10.008 1.00 . A A . 4 SER OG 1 1 2 373 1 1 5 SER C C -1.894 3.157 -6.503 1.00 . A A . 5 SER C 1 1 2 374 1 1 5 SER CA C -2.677 2.883 -7.801 1.00 . A A . 5 SER CA 1 1 2 375 1 1 5 SER CB C -4.105 3.428 -7.681 1.00 . A A . 5 SER CB 1 1 2 376 1 1 5 SER H H -3.123 0.822 -7.363 1.00 . A A . 5 SER H 1 1 2 377 1 1 5 SER HA H -2.180 3.355 -8.638 1.00 . A A . 5 SER HA 1 1 2 378 1 1 5 SER HB2 H -4.278 4.159 -8.453 1.00 . A A . 5 SER HB2 1 1 2 379 1 1 5 SER HB3 H -4.808 2.614 -7.799 1.00 . A A . 5 SER HB3 1 1 2 380 1 1 5 SER HG H -3.881 4.915 -6.444 1.00 . A A . 5 SER HG 1 1 2 381 1 1 5 SER N N -2.728 1.414 -8.035 1.00 . A A . 5 SER N 1 1 2 382 1 1 5 SER O O -2.286 2.730 -5.435 1.00 . A A . 5 SER O 1 1 2 383 1 1 5 SER OG O -4.279 4.042 -6.409 1.00 . A A . 5 SER OG 1 1 2 384 1 1 6 LEU C C -0.758 4.913 -4.315 1.00 . A A . 6 LEU C 1 1 2 385 1 1 6 LEU CA C 0.037 4.108 -5.363 1.00 . A A . 6 LEU CA 1 1 2 386 1 1 6 LEU CB C 1.302 4.890 -5.744 1.00 . A A . 6 LEU CB 1 1 2 387 1 1 6 LEU CD1 C 2.210 3.144 -7.288 1.00 . A A . 6 LEU CD1 1 1 2 388 1 1 6 LEU CD2 C 3.768 4.677 -6.077 1.00 . A A . 6 LEU CD2 1 1 2 389 1 1 6 LEU CG C 2.448 3.907 -5.984 1.00 . A A . 6 LEU CG 1 1 2 390 1 1 6 LEU H H -0.468 4.156 -7.465 1.00 . A A . 6 LEU H 1 1 2 391 1 1 6 LEU HA H 0.336 3.164 -4.929 1.00 . A A . 6 LEU HA 1 1 2 392 1 1 6 LEU HB2 H 1.125 5.465 -6.642 1.00 . A A . 6 LEU HB2 1 1 2 393 1 1 6 LEU HB3 H 1.567 5.557 -4.938 1.00 . A A . 6 LEU HB3 1 1 2 394 1 1 6 LEU HD11 H 1.154 2.949 -7.402 1.00 . A A . 6 LEU HD11 1 1 2 395 1 1 6 LEU HD12 H 2.748 2.208 -7.260 1.00 . A A . 6 LEU HD12 1 1 2 396 1 1 6 LEU HD13 H 2.560 3.736 -8.120 1.00 . A A . 6 LEU HD13 1 1 2 397 1 1 6 LEU HD21 H 3.806 5.423 -5.298 1.00 . A A . 6 LEU HD21 1 1 2 398 1 1 6 LEU HD22 H 3.836 5.160 -7.041 1.00 . A A . 6 LEU HD22 1 1 2 399 1 1 6 LEU HD23 H 4.594 3.991 -5.959 1.00 . A A . 6 LEU HD23 1 1 2 400 1 1 6 LEU HG H 2.496 3.206 -5.163 1.00 . A A . 6 LEU HG 1 1 2 401 1 1 6 LEU N N -0.780 3.839 -6.590 1.00 . A A . 6 LEU N 1 1 2 402 1 1 6 LEU O O -0.362 4.992 -3.169 1.00 . A A . 6 LEU O 1 1 2 403 1 1 7 MET C C -3.631 5.426 -2.931 1.00 . A A . 7 MET C 1 1 2 404 1 1 7 MET CA C -2.633 6.320 -3.680 1.00 . A A . 7 MET CA 1 1 2 405 1 1 7 MET CB C -3.391 7.439 -4.400 1.00 . A A . 7 MET CB 1 1 2 406 1 1 7 MET CE C -3.101 10.349 -2.692 1.00 . A A . 7 MET CE 1 1 2 407 1 1 7 MET CG C -4.395 8.082 -3.440 1.00 . A A . 7 MET CG 1 1 2 408 1 1 7 MET H H -2.172 5.470 -5.601 1.00 . A A . 7 MET H 1 1 2 409 1 1 7 MET HA H -1.947 6.757 -2.970 1.00 . A A . 7 MET HA 1 1 2 410 1 1 7 MET HB2 H -2.689 8.187 -4.740 1.00 . A A . 7 MET HB2 1 1 2 411 1 1 7 MET HB3 H -3.918 7.031 -5.249 1.00 . A A . 7 MET HB3 1 1 2 412 1 1 7 MET HE1 H -3.488 10.769 -1.775 1.00 . A A . 7 MET HE1 1 1 2 413 1 1 7 MET HE2 H -2.498 11.087 -3.196 1.00 . A A . 7 MET HE2 1 1 2 414 1 1 7 MET HE3 H -2.494 9.482 -2.471 1.00 . A A . 7 MET HE3 1 1 2 415 1 1 7 MET HG2 H -5.370 7.643 -3.592 1.00 . A A . 7 MET HG2 1 1 2 416 1 1 7 MET HG3 H -4.079 7.914 -2.421 1.00 . A A . 7 MET HG3 1 1 2 417 1 1 7 MET N N -1.860 5.522 -4.679 1.00 . A A . 7 MET N 1 1 2 418 1 1 7 MET O O -4.293 5.863 -2.011 1.00 . A A . 7 MET O 1 1 2 419 1 1 7 MET SD S -4.479 9.862 -3.760 1.00 . A A . 7 MET SD 1 1 2 420 1 1 8 ASP C C -4.456 3.339 -1.099 1.00 . A A . 8 ASP C 1 1 2 421 1 1 8 ASP CA C -4.708 3.278 -2.609 1.00 . A A . 8 ASP CA 1 1 2 422 1 1 8 ASP CB C -4.516 1.838 -3.096 1.00 . A A . 8 ASP CB 1 1 2 423 1 1 8 ASP CG C -5.821 1.059 -2.917 1.00 . A A . 8 ASP CG 1 1 2 424 1 1 8 ASP H H -3.212 3.842 -4.053 1.00 . A A . 8 ASP H 1 1 2 425 1 1 8 ASP HA H -5.719 3.597 -2.816 1.00 . A A . 8 ASP HA 1 1 2 426 1 1 8 ASP HB2 H -4.241 1.842 -4.140 1.00 . A A . 8 ASP HB2 1 1 2 427 1 1 8 ASP HB3 H -3.736 1.364 -2.520 1.00 . A A . 8 ASP HB3 1 1 2 428 1 1 8 ASP N N -3.749 4.181 -3.311 1.00 . A A . 8 ASP N 1 1 2 429 1 1 8 ASP O O -3.644 4.107 -0.625 1.00 . A A . 8 ASP O 1 1 2 430 1 1 8 ASP OD1 O -6.169 0.778 -1.782 1.00 . A A . 8 ASP OD1 1 1 2 431 1 1 8 ASP OD2 O -6.449 0.757 -3.918 1.00 . A A . 8 ASP OD2 1 1 2 432 1 1 9 LYS C C -4.227 1.254 1.577 1.00 . A A . 9 LYS C 1 1 2 433 1 1 9 LYS CA C -4.947 2.541 1.138 1.00 . A A . 9 LYS CA 1 1 2 434 1 1 9 LYS CB C -6.306 2.658 1.847 1.00 . A A . 9 LYS CB 1 1 2 435 1 1 9 LYS CD C -6.430 5.159 1.728 1.00 . A A . 9 LYS CD 1 1 2 436 1 1 9 LYS CE C -5.386 5.583 0.694 1.00 . A A . 9 LYS CE 1 1 2 437 1 1 9 LYS CG C -7.092 3.852 1.285 1.00 . A A . 9 LYS CG 1 1 2 438 1 1 9 LYS H H -5.794 1.921 -0.748 1.00 . A A . 9 LYS H 1 1 2 439 1 1 9 LYS HA H -4.331 3.390 1.405 1.00 . A A . 9 LYS HA 1 1 2 440 1 1 9 LYS HB2 H -6.872 1.752 1.692 1.00 . A A . 9 LYS HB2 1 1 2 441 1 1 9 LYS HB3 H -6.146 2.806 2.905 1.00 . A A . 9 LYS HB3 1 1 2 442 1 1 9 LYS HD2 H -7.183 5.931 1.817 1.00 . A A . 9 LYS HD2 1 1 2 443 1 1 9 LYS HD3 H -5.950 5.014 2.683 1.00 . A A . 9 LYS HD3 1 1 2 444 1 1 9 LYS HE2 H -4.415 5.213 0.989 1.00 . A A . 9 LYS HE2 1 1 2 445 1 1 9 LYS HE3 H -5.648 5.173 -0.271 1.00 . A A . 9 LYS HE3 1 1 2 446 1 1 9 LYS HG2 H -7.108 3.803 0.205 1.00 . A A . 9 LYS HG2 1 1 2 447 1 1 9 LYS HG3 H -8.106 3.825 1.659 1.00 . A A . 9 LYS HG3 1 1 2 448 1 1 9 LYS HZ1 H -6.031 7.395 -0.103 1.00 . A A . 9 LYS HZ1 1 1 2 449 1 1 9 LYS HZ2 H -4.390 7.375 0.335 1.00 . A A . 9 LYS HZ2 1 1 2 450 1 1 9 LYS HZ3 H -5.590 7.478 1.533 1.00 . A A . 9 LYS HZ3 1 1 2 451 1 1 9 LYS N N -5.147 2.531 -0.342 1.00 . A A . 9 LYS N 1 1 2 452 1 1 9 LYS NZ N -5.346 7.069 0.608 1.00 . A A . 9 LYS NZ 1 1 2 453 1 1 9 LYS O O -3.049 1.273 1.872 1.00 . A A . 9 LYS O 1 1 2 454 1 1 10 GLU C C -3.326 -1.616 0.925 1.00 . A A . 10 GLU C 1 1 2 455 1 1 10 GLU CA C -4.231 -1.124 2.051 1.00 . A A . 10 GLU CA 1 1 2 456 1 1 10 GLU CB C -5.275 -2.196 2.366 1.00 . A A . 10 GLU CB 1 1 2 457 1 1 10 GLU CD C -7.389 -2.582 3.637 1.00 . A A . 10 GLU CD 1 1 2 458 1 1 10 GLU CG C -6.525 -1.532 2.937 1.00 . A A . 10 GLU CG 1 1 2 459 1 1 10 GLU H H -5.857 0.118 1.391 1.00 . A A . 10 GLU H 1 1 2 460 1 1 10 GLU HA H -3.639 -0.928 2.929 1.00 . A A . 10 GLU HA 1 1 2 461 1 1 10 GLU HB2 H -5.529 -2.729 1.461 1.00 . A A . 10 GLU HB2 1 1 2 462 1 1 10 GLU HB3 H -4.873 -2.888 3.092 1.00 . A A . 10 GLU HB3 1 1 2 463 1 1 10 GLU HG2 H -6.232 -0.771 3.645 1.00 . A A . 10 GLU HG2 1 1 2 464 1 1 10 GLU HG3 H -7.088 -1.082 2.134 1.00 . A A . 10 GLU HG3 1 1 2 465 1 1 10 GLU N N -4.910 0.134 1.627 1.00 . A A . 10 GLU N 1 1 2 466 1 1 10 GLU O O -2.279 -2.185 1.162 1.00 . A A . 10 GLU O 1 1 2 467 1 1 10 GLU OE1 O -7.072 -3.754 3.523 1.00 . A A . 10 GLU OE1 1 1 2 468 1 1 10 GLU OE2 O -8.354 -2.195 4.277 1.00 . A A . 10 GLU OE2 1 1 2 469 1 1 11 CYS C C -1.572 -0.998 -1.387 1.00 . A A . 11 CYS C 1 1 2 470 1 1 11 CYS CA C -2.856 -1.818 -1.432 1.00 . A A . 11 CYS CA 1 1 2 471 1 1 11 CYS CB C -3.591 -1.562 -2.749 1.00 . A A . 11 CYS CB 1 1 2 472 1 1 11 CYS H H -4.543 -0.904 -0.467 1.00 . A A . 11 CYS H 1 1 2 473 1 1 11 CYS HA H -2.625 -2.866 -1.336 1.00 . A A . 11 CYS HA 1 1 2 474 1 1 11 CYS HB2 H -4.626 -1.852 -2.645 1.00 . A A . 11 CYS HB2 1 1 2 475 1 1 11 CYS HB3 H -3.536 -0.512 -2.993 1.00 . A A . 11 CYS HB3 1 1 2 476 1 1 11 CYS N N -3.709 -1.383 -0.297 1.00 . A A . 11 CYS N 1 1 2 477 1 1 11 CYS O O -0.565 -1.346 -1.970 1.00 . A A . 11 CYS O 1 1 2 478 1 1 11 CYS SG S -2.824 -2.529 -4.069 1.00 . A A . 11 CYS SG 1 1 2 479 1 1 12 VAL C C 0.511 0.444 0.521 1.00 . A A . 12 VAL C 1 1 2 480 1 1 12 VAL CA C -0.437 0.982 -0.563 1.00 . A A . 12 VAL CA 1 1 2 481 1 1 12 VAL CB C -0.941 2.379 -0.190 1.00 . A A . 12 VAL CB 1 1 2 482 1 1 12 VAL CG1 C 0.179 3.195 0.438 1.00 . A A . 12 VAL CG1 1 1 2 483 1 1 12 VAL CG2 C -1.437 3.080 -1.451 1.00 . A A . 12 VAL CG2 1 1 2 484 1 1 12 VAL H H -2.450 0.347 -0.233 1.00 . A A . 12 VAL H 1 1 2 485 1 1 12 VAL HA H 0.083 1.026 -1.506 1.00 . A A . 12 VAL HA 1 1 2 486 1 1 12 VAL HB H -1.754 2.296 0.513 1.00 . A A . 12 VAL HB 1 1 2 487 1 1 12 VAL HG11 H -0.210 4.152 0.746 1.00 . A A . 12 VAL HG11 1 1 2 488 1 1 12 VAL HG12 H 0.967 3.335 -0.284 1.00 . A A . 12 VAL HG12 1 1 2 489 1 1 12 VAL HG13 H 0.563 2.666 1.298 1.00 . A A . 12 VAL HG13 1 1 2 490 1 1 12 VAL HG21 H -0.685 3.008 -2.221 1.00 . A A . 12 VAL HG21 1 1 2 491 1 1 12 VAL HG22 H -1.633 4.118 -1.231 1.00 . A A . 12 VAL HG22 1 1 2 492 1 1 12 VAL HG23 H -2.346 2.604 -1.789 1.00 . A A . 12 VAL HG23 1 1 2 493 1 1 12 VAL N N -1.619 0.097 -0.684 1.00 . A A . 12 VAL N 1 1 2 494 1 1 12 VAL O O 1.713 0.534 0.400 1.00 . A A . 12 VAL O 1 1 2 495 1 1 13 TYR C C 1.873 -1.618 2.085 1.00 . A A . 13 TYR C 1 1 2 496 1 1 13 TYR CA C 0.844 -0.648 2.663 1.00 . A A . 13 TYR CA 1 1 2 497 1 1 13 TYR CB C -0.030 -1.389 3.677 1.00 . A A . 13 TYR CB 1 1 2 498 1 1 13 TYR CD1 C -0.850 0.937 4.223 1.00 . A A . 13 TYR CD1 1 1 2 499 1 1 13 TYR CD2 C -2.240 -0.963 4.804 1.00 . A A . 13 TYR CD2 1 1 2 500 1 1 13 TYR CE1 C -1.812 1.804 4.755 1.00 . A A . 13 TYR CE1 1 1 2 501 1 1 13 TYR CE2 C -3.203 -0.096 5.336 1.00 . A A . 13 TYR CE2 1 1 2 502 1 1 13 TYR CG C -1.064 -0.448 4.247 1.00 . A A . 13 TYR CG 1 1 2 503 1 1 13 TYR CZ C -2.987 1.287 5.311 1.00 . A A . 13 TYR CZ 1 1 2 504 1 1 13 TYR H H -0.991 -0.178 1.655 1.00 . A A . 13 TYR H 1 1 2 505 1 1 13 TYR HA H 1.354 0.166 3.155 1.00 . A A . 13 TYR HA 1 1 2 506 1 1 13 TYR HB2 H -0.528 -2.212 3.186 1.00 . A A . 13 TYR HB2 1 1 2 507 1 1 13 TYR HB3 H 0.588 -1.768 4.475 1.00 . A A . 13 TYR HB3 1 1 2 508 1 1 13 TYR HD1 H 0.058 1.336 3.795 1.00 . A A . 13 TYR HD1 1 1 2 509 1 1 13 TYR HD2 H -2.406 -2.030 4.823 1.00 . A A . 13 TYR HD2 1 1 2 510 1 1 13 TYR HE1 H -1.646 2.871 4.736 1.00 . A A . 13 TYR HE1 1 1 2 511 1 1 13 TYR HE2 H -4.110 -0.493 5.765 1.00 . A A . 13 TYR HE2 1 1 2 512 1 1 13 TYR HH H -4.655 1.610 6.184 1.00 . A A . 13 TYR HH 1 1 2 513 1 1 13 TYR N N -0.021 -0.112 1.575 1.00 . A A . 13 TYR N 1 1 2 514 1 1 13 TYR O O 2.912 -1.856 2.667 1.00 . A A . 13 TYR O 1 1 2 515 1 1 13 TYR OH O -3.936 2.142 5.835 1.00 . A A . 13 TYR OH 1 1 2 516 1 1 14 PHE C C 3.834 -2.454 -0.062 1.00 . A A . 14 PHE C 1 1 2 517 1 1 14 PHE CA C 2.540 -3.163 0.352 1.00 . A A . 14 PHE CA 1 1 2 518 1 1 14 PHE CB C 1.889 -3.811 -0.868 1.00 . A A . 14 PHE CB 1 1 2 519 1 1 14 PHE CD1 C 0.146 -4.457 0.845 1.00 . A A . 14 PHE CD1 1 1 2 520 1 1 14 PHE CD2 C -0.432 -4.564 -1.508 1.00 . A A . 14 PHE CD2 1 1 2 521 1 1 14 PHE CE1 C -1.138 -4.901 1.182 1.00 . A A . 14 PHE CE1 1 1 2 522 1 1 14 PHE CE2 C -1.716 -5.009 -1.171 1.00 . A A . 14 PHE CE2 1 1 2 523 1 1 14 PHE CG C 0.500 -4.288 -0.501 1.00 . A A . 14 PHE CG 1 1 2 524 1 1 14 PHE CZ C -2.068 -5.176 0.175 1.00 . A A . 14 PHE CZ 1 1 2 525 1 1 14 PHE H H 0.735 -1.998 0.506 1.00 . A A . 14 PHE H 1 1 2 526 1 1 14 PHE HA H 2.769 -3.925 1.080 1.00 . A A . 14 PHE HA 1 1 2 527 1 1 14 PHE HB2 H 1.823 -3.089 -1.669 1.00 . A A . 14 PHE HB2 1 1 2 528 1 1 14 PHE HB3 H 2.484 -4.653 -1.190 1.00 . A A . 14 PHE HB3 1 1 2 529 1 1 14 PHE HD1 H 0.863 -4.245 1.623 1.00 . A A . 14 PHE HD1 1 1 2 530 1 1 14 PHE HD2 H -0.161 -4.435 -2.546 1.00 . A A . 14 PHE HD2 1 1 2 531 1 1 14 PHE HE1 H -1.410 -5.030 2.219 1.00 . A A . 14 PHE HE1 1 1 2 532 1 1 14 PHE HE2 H -2.435 -5.222 -1.947 1.00 . A A . 14 PHE HE2 1 1 2 533 1 1 14 PHE HZ H -3.059 -5.520 0.435 1.00 . A A . 14 PHE HZ 1 1 2 534 1 1 14 PHE N N 1.586 -2.193 0.954 1.00 . A A . 14 PHE N 1 1 2 535 1 1 14 PHE O O 4.900 -3.038 -0.046 1.00 . A A . 14 PHE O 1 1 2 536 1 1 15 CYS C C 5.749 0.045 0.382 1.00 . A A . 15 CYS C 1 1 2 537 1 1 15 CYS CA C 4.993 -0.478 -0.850 1.00 . A A . 15 CYS CA 1 1 2 538 1 1 15 CYS CB C 4.609 0.701 -1.747 1.00 . A A . 15 CYS CB 1 1 2 539 1 1 15 CYS H H 2.892 -0.749 -0.452 1.00 . A A . 15 CYS H 1 1 2 540 1 1 15 CYS HA H 5.634 -1.149 -1.404 1.00 . A A . 15 CYS HA 1 1 2 541 1 1 15 CYS HB2 H 3.550 0.668 -1.952 1.00 . A A . 15 CYS HB2 1 1 2 542 1 1 15 CYS HB3 H 4.851 1.627 -1.246 1.00 . A A . 15 CYS HB3 1 1 2 543 1 1 15 CYS N N 3.758 -1.206 -0.436 1.00 . A A . 15 CYS N 1 1 2 544 1 1 15 CYS O O 6.494 1.000 0.294 1.00 . A A . 15 CYS O 1 1 2 545 1 1 15 CYS SG S 5.530 0.597 -3.302 1.00 . A A . 15 CYS SG 1 1 2 546 1 1 16 HIS C C 5.616 1.145 3.310 1.00 . A A . 16 HIS C 1 1 2 547 1 1 16 HIS CA C 6.299 -0.106 2.747 1.00 . A A . 16 HIS CA 1 1 2 548 1 1 16 HIS CB C 7.748 0.229 2.385 1.00 . A A . 16 HIS CB 1 1 2 549 1 1 16 HIS CD2 C 9.714 0.386 4.122 1.00 . A A . 16 HIS CD2 1 1 2 550 1 1 16 HIS CE1 C 9.490 -1.569 5.029 1.00 . A A . 16 HIS CE1 1 1 2 551 1 1 16 HIS CG C 8.659 -0.226 3.491 1.00 . A A . 16 HIS CG 1 1 2 552 1 1 16 HIS H H 4.978 -1.343 1.584 1.00 . A A . 16 HIS H 1 1 2 553 1 1 16 HIS HA H 6.291 -0.889 3.490 1.00 . A A . 16 HIS HA 1 1 2 554 1 1 16 HIS HB2 H 8.016 -0.274 1.468 1.00 . A A . 16 HIS HB2 1 1 2 555 1 1 16 HIS HB3 H 7.849 1.297 2.252 1.00 . A A . 16 HIS HB3 1 1 2 556 1 1 16 HIS HD1 H 7.871 -2.157 3.861 1.00 . A A . 16 HIS HD1 1 1 2 557 1 1 16 HIS HD2 H 10.082 1.376 3.898 1.00 . A A . 16 HIS HD2 1 1 2 558 1 1 16 HIS HE1 H 9.635 -2.434 5.658 1.00 . A A . 16 HIS HE1 1 1 2 559 1 1 16 HIS N N 5.576 -0.572 1.526 1.00 . A A . 16 HIS N 1 1 2 560 1 1 16 HIS ND1 N 8.535 -1.472 4.086 1.00 . A A . 16 HIS ND1 1 1 2 561 1 1 16 HIS NE2 N 10.238 -0.464 5.092 1.00 . A A . 16 HIS NE2 1 1 2 562 1 1 16 HIS O O 6.267 2.082 3.728 1.00 . A A . 16 HIS O 1 1 2 563 1 1 17 LEU C C 2.945 2.033 5.187 1.00 . A A . 17 LEU C 1 1 2 564 1 1 17 LEU CA C 3.594 2.362 3.839 1.00 . A A . 17 LEU CA 1 1 2 565 1 1 17 LEU CB C 2.510 2.740 2.841 1.00 . A A . 17 LEU CB 1 1 2 566 1 1 17 LEU CD1 C 4.265 4.237 1.868 1.00 . A A . 17 LEU CD1 1 1 2 567 1 1 17 LEU CD2 C 3.729 2.066 0.761 1.00 . A A . 17 LEU CD2 1 1 2 568 1 1 17 LEU CG C 3.147 3.246 1.542 1.00 . A A . 17 LEU CG 1 1 2 569 1 1 17 LEU H H 3.794 0.426 2.970 1.00 . A A . 17 LEU H 1 1 2 570 1 1 17 LEU HA H 4.283 3.184 3.955 1.00 . A A . 17 LEU HA 1 1 2 571 1 1 17 LEU HB2 H 1.900 1.876 2.634 1.00 . A A . 17 LEU HB2 1 1 2 572 1 1 17 LEU HB3 H 1.902 3.504 3.262 1.00 . A A . 17 LEU HB3 1 1 2 573 1 1 17 LEU HD11 H 5.188 3.698 2.022 1.00 . A A . 17 LEU HD11 1 1 2 574 1 1 17 LEU HD12 H 4.012 4.783 2.765 1.00 . A A . 17 LEU HD12 1 1 2 575 1 1 17 LEU HD13 H 4.384 4.927 1.047 1.00 . A A . 17 LEU HD13 1 1 2 576 1 1 17 LEU HD21 H 3.507 1.145 1.280 1.00 . A A . 17 LEU HD21 1 1 2 577 1 1 17 LEU HD22 H 4.799 2.182 0.677 1.00 . A A . 17 LEU HD22 1 1 2 578 1 1 17 LEU HD23 H 3.291 2.036 -0.226 1.00 . A A . 17 LEU HD23 1 1 2 579 1 1 17 LEU HG H 2.395 3.739 0.943 1.00 . A A . 17 LEU HG 1 1 2 580 1 1 17 LEU N N 4.308 1.176 3.318 1.00 . A A . 17 LEU N 1 1 2 581 1 1 17 LEU O O 1.739 2.068 5.327 1.00 . A A . 17 LEU O 1 1 2 582 1 1 18 ASP C C 1.898 0.577 7.379 1.00 . A A . 18 ASP C 1 1 2 583 1 1 18 ASP CA C 3.182 1.403 7.522 1.00 . A A . 18 ASP CA 1 1 2 584 1 1 18 ASP CB C 2.873 2.705 8.263 1.00 . A A . 18 ASP CB 1 1 2 585 1 1 18 ASP CG C 1.761 3.459 7.533 1.00 . A A . 18 ASP CG 1 1 2 586 1 1 18 ASP H H 4.702 1.718 6.037 1.00 . A A . 18 ASP H 1 1 2 587 1 1 18 ASP HA H 3.912 0.839 8.084 1.00 . A A . 18 ASP HA 1 1 2 588 1 1 18 ASP HB2 H 2.557 2.476 9.268 1.00 . A A . 18 ASP HB2 1 1 2 589 1 1 18 ASP HB3 H 3.761 3.319 8.295 1.00 . A A . 18 ASP HB3 1 1 2 590 1 1 18 ASP N N 3.737 1.727 6.176 1.00 . A A . 18 ASP N 1 1 2 591 1 1 18 ASP O O 0.807 1.074 7.577 1.00 . A A . 18 ASP O 1 1 2 592 1 1 18 ASP OD1 O 2.056 4.083 6.527 1.00 . A A . 18 ASP OD1 1 1 2 593 1 1 18 ASP OD2 O 0.632 3.400 7.993 1.00 . A A . 18 ASP OD2 1 1 2 594 1 1 19 ILE C C 0.055 -1.586 8.231 1.00 . A A . 19 ILE C 1 1 2 595 1 1 19 ILE CA C 0.796 -1.522 6.892 1.00 . A A . 19 ILE CA 1 1 2 596 1 1 19 ILE CB C 1.201 -2.938 6.445 1.00 . A A . 19 ILE CB 1 1 2 597 1 1 19 ILE CD1 C 1.882 -5.220 7.215 1.00 . A A . 19 ILE CD1 1 1 2 598 1 1 19 ILE CG1 C 1.599 -3.786 7.660 1.00 . A A . 19 ILE CG1 1 1 2 599 1 1 19 ILE CG2 C 2.388 -2.853 5.484 1.00 . A A . 19 ILE CG2 1 1 2 600 1 1 19 ILE H H 2.898 -1.069 6.885 1.00 . A A . 19 ILE H 1 1 2 601 1 1 19 ILE HA H 0.148 -1.083 6.148 1.00 . A A . 19 ILE HA 1 1 2 602 1 1 19 ILE HB H 0.371 -3.402 5.939 1.00 . A A . 19 ILE HB 1 1 2 603 1 1 19 ILE HD11 H 2.764 -5.237 6.594 1.00 . A A . 19 ILE HD11 1 1 2 604 1 1 19 ILE HD12 H 1.039 -5.595 6.656 1.00 . A A . 19 ILE HD12 1 1 2 605 1 1 19 ILE HD13 H 2.041 -5.840 8.086 1.00 . A A . 19 ILE HD13 1 1 2 606 1 1 19 ILE HG12 H 2.485 -3.369 8.117 1.00 . A A . 19 ILE HG12 1 1 2 607 1 1 19 ILE HG13 H 0.793 -3.791 8.376 1.00 . A A . 19 ILE HG13 1 1 2 608 1 1 19 ILE HG21 H 2.399 -1.882 5.012 1.00 . A A . 19 ILE HG21 1 1 2 609 1 1 19 ILE HG22 H 2.294 -3.620 4.730 1.00 . A A . 19 ILE HG22 1 1 2 610 1 1 19 ILE HG23 H 3.306 -2.997 6.033 1.00 . A A . 19 ILE HG23 1 1 2 611 1 1 19 ILE N N 2.014 -0.679 7.041 1.00 . A A . 19 ILE N 1 1 2 612 1 1 19 ILE O O 0.629 -1.916 9.250 1.00 . A A . 19 ILE O 1 1 2 613 1 1 20 ILE C C -3.052 -2.403 9.444 1.00 . A A . 20 ILE C 1 1 2 614 1 1 20 ILE CA C -1.963 -1.335 9.532 1.00 . A A . 20 ILE CA 1 1 2 615 1 1 20 ILE CB C -2.598 0.024 9.819 1.00 . A A . 20 ILE CB 1 1 2 616 1 1 20 ILE CD1 C -0.624 0.410 11.308 1.00 . A A . 20 ILE CD1 1 1 2 617 1 1 20 ILE CG1 C -1.507 1.020 10.218 1.00 . A A . 20 ILE CG1 1 1 2 618 1 1 20 ILE CG2 C -3.603 -0.111 10.965 1.00 . A A . 20 ILE CG2 1 1 2 619 1 1 20 ILE H H -1.667 -1.007 7.415 1.00 . A A . 20 ILE H 1 1 2 620 1 1 20 ILE HA H -1.284 -1.593 10.331 1.00 . A A . 20 ILE HA 1 1 2 621 1 1 20 ILE HB H -3.106 0.379 8.935 1.00 . A A . 20 ILE HB 1 1 2 622 1 1 20 ILE HD11 H 0.030 -0.329 10.870 1.00 . A A . 20 ILE HD11 1 1 2 623 1 1 20 ILE HD12 H -1.248 -0.059 12.055 1.00 . A A . 20 ILE HD12 1 1 2 624 1 1 20 ILE HD13 H -0.033 1.187 11.768 1.00 . A A . 20 ILE HD13 1 1 2 625 1 1 20 ILE HG12 H -0.902 1.256 9.354 1.00 . A A . 20 ILE HG12 1 1 2 626 1 1 20 ILE HG13 H -1.967 1.918 10.593 1.00 . A A . 20 ILE HG13 1 1 2 627 1 1 20 ILE HG21 H -3.304 -0.921 11.613 1.00 . A A . 20 ILE HG21 1 1 2 628 1 1 20 ILE HG22 H -4.584 -0.317 10.562 1.00 . A A . 20 ILE HG22 1 1 2 629 1 1 20 ILE HG23 H -3.632 0.810 11.529 1.00 . A A . 20 ILE HG23 1 1 2 630 1 1 20 ILE N N -1.212 -1.277 8.246 1.00 . A A . 20 ILE N 1 1 2 631 1 1 20 ILE O O -4.214 -2.107 9.248 1.00 . A A . 20 ILE O 1 1 2 632 1 1 21 TRP C C -4.810 -4.466 10.543 1.00 . A A . 21 TRP C 1 1 2 633 1 1 21 TRP CA C -3.702 -4.733 9.523 1.00 . A A . 21 TRP CA 1 1 2 634 1 1 21 TRP CB C -3.073 -6.108 9.809 1.00 . A A . 21 TRP CB 1 1 2 635 1 1 21 TRP CD1 C -0.803 -6.870 10.607 1.00 . A A . 21 TRP CD1 1 1 2 636 1 1 21 TRP CD2 C -1.479 -5.006 11.672 1.00 . A A . 21 TRP CD2 1 1 2 637 1 1 21 TRP CE2 C -0.205 -5.337 12.195 1.00 . A A . 21 TRP CE2 1 1 2 638 1 1 21 TRP CE3 C -2.123 -3.864 12.181 1.00 . A A . 21 TRP CE3 1 1 2 639 1 1 21 TRP CG C -1.835 -5.996 10.654 1.00 . A A . 21 TRP CG 1 1 2 640 1 1 21 TRP CH2 C -0.252 -3.438 13.680 1.00 . A A . 21 TRP CH2 1 1 2 641 1 1 21 TRP CZ2 C 0.403 -4.567 13.186 1.00 . A A . 21 TRP CZ2 1 1 2 642 1 1 21 TRP CZ3 C -1.513 -3.087 13.179 1.00 . A A . 21 TRP CZ3 1 1 2 643 1 1 21 TRP H H -1.742 -3.854 9.751 1.00 . A A . 21 TRP H 1 1 2 644 1 1 21 TRP HA H -4.134 -4.743 8.533 1.00 . A A . 21 TRP HA 1 1 2 645 1 1 21 TRP HB2 H -3.793 -6.724 10.323 1.00 . A A . 21 TRP HB2 1 1 2 646 1 1 21 TRP HB3 H -2.817 -6.578 8.870 1.00 . A A . 21 TRP HB3 1 1 2 647 1 1 21 TRP HD1 H -0.743 -7.733 9.961 1.00 . A A . 21 TRP HD1 1 1 2 648 1 1 21 TRP HE1 H 1.012 -6.942 11.672 1.00 . A A . 21 TRP HE1 1 1 2 649 1 1 21 TRP HE3 H -3.089 -3.582 11.800 1.00 . A A . 21 TRP HE3 1 1 2 650 1 1 21 TRP HH2 H 0.211 -2.835 14.447 1.00 . A A . 21 TRP HH2 1 1 2 651 1 1 21 TRP HZ2 H 1.375 -4.843 13.567 1.00 . A A . 21 TRP HZ2 1 1 2 652 1 1 21 TRP HZ3 H -2.019 -2.213 13.562 1.00 . A A . 21 TRP HZ3 1 1 2 653 1 1 21 TRP N N -2.684 -3.645 9.594 1.00 . A A . 21 TRP N 1 1 2 654 1 1 21 TRP NE1 N 0.163 -6.479 11.515 1.00 . A A . 21 TRP NE1 1 1 2 655 1 1 21 TRP O O -5.740 -3.751 10.205 1.00 . A A . 21 TRP O 1 1 2 656 1 1 21 TRP OXT O -4.711 -4.981 11.644 1.00 . A A . 21 TRP OXT 1 1 3 657 1 1 1 CYS C C 5.542 -1.266 -5.578 1.00 . A A . 1 CYS C 1 1 3 658 1 1 1 CYS CA C 6.189 -0.463 -4.448 1.00 . A A . 1 CYS CA 1 1 3 659 1 1 1 CYS CB C 5.854 1.020 -4.619 1.00 . A A . 1 CYS CB 1 1 3 660 1 1 1 CYS H1 H 8.083 -0.335 -3.592 1.00 . A A . 1 CYS H1 1 1 3 661 1 1 1 CYS H2 H 8.064 -0.081 -5.272 1.00 . A A . 1 CYS H2 1 1 3 662 1 1 1 CYS H3 H 7.889 -1.650 -4.644 1.00 . A A . 1 CYS H3 1 1 3 663 1 1 1 CYS HA H 5.812 -0.811 -3.497 1.00 . A A . 1 CYS HA 1 1 3 664 1 1 1 CYS HB2 H 6.174 1.565 -3.744 1.00 . A A . 1 CYS HB2 1 1 3 665 1 1 1 CYS HB3 H 6.362 1.407 -5.489 1.00 . A A . 1 CYS HB3 1 1 3 666 1 1 1 CYS N N 7.668 -0.647 -4.492 1.00 . A A . 1 CYS N 1 1 3 667 1 1 1 CYS O O 5.891 -1.122 -6.733 1.00 . A A . 1 CYS O 1 1 3 668 1 1 1 CYS SG S 4.066 1.213 -4.830 1.00 . A A . 1 CYS SG 1 1 3 669 1 1 2 SER C C 2.421 -2.920 -6.077 1.00 . A A . 2 SER C 1 1 3 670 1 1 2 SER CA C 3.933 -2.918 -6.311 1.00 . A A . 2 SER CA 1 1 3 671 1 1 2 SER CB C 4.459 -4.352 -6.263 1.00 . A A . 2 SER CB 1 1 3 672 1 1 2 SER H H 4.334 -2.213 -4.322 1.00 . A A . 2 SER H 1 1 3 673 1 1 2 SER HA H 4.147 -2.489 -7.276 1.00 . A A . 2 SER HA 1 1 3 674 1 1 2 SER HB2 H 5.502 -4.346 -5.993 1.00 . A A . 2 SER HB2 1 1 3 675 1 1 2 SER HB3 H 3.902 -4.914 -5.525 1.00 . A A . 2 SER HB3 1 1 3 676 1 1 2 SER HG H 4.978 -4.576 -8.125 1.00 . A A . 2 SER HG 1 1 3 677 1 1 2 SER N N 4.601 -2.110 -5.255 1.00 . A A . 2 SER N 1 1 3 678 1 1 2 SER O O 1.865 -3.868 -5.559 1.00 . A A . 2 SER O 1 1 3 679 1 1 2 SER OG O 4.311 -4.950 -7.545 1.00 . A A . 2 SER OG 1 1 3 680 1 1 3 CYS C C -0.368 -1.166 -7.495 1.00 . A A . 3 CYS C 1 1 3 681 1 1 3 CYS CA C 0.276 -1.810 -6.261 1.00 . A A . 3 CYS CA 1 1 3 682 1 1 3 CYS CB C -0.038 -0.977 -5.008 1.00 . A A . 3 CYS CB 1 1 3 683 1 1 3 CYS H H 2.220 -1.114 -6.876 1.00 . A A . 3 CYS H 1 1 3 684 1 1 3 CYS HA H -0.105 -2.812 -6.133 1.00 . A A . 3 CYS HA 1 1 3 685 1 1 3 CYS HB2 H 0.167 -1.566 -4.128 1.00 . A A . 3 CYS HB2 1 1 3 686 1 1 3 CYS HB3 H 0.582 -0.093 -5.000 1.00 . A A . 3 CYS HB3 1 1 3 687 1 1 3 CYS N N 1.752 -1.867 -6.458 1.00 . A A . 3 CYS N 1 1 3 688 1 1 3 CYS O O 0.288 -0.500 -8.271 1.00 . A A . 3 CYS O 1 1 3 689 1 1 3 CYS SG S -1.782 -0.491 -4.996 1.00 . A A . 3 CYS SG 1 1 3 690 1 1 4 SER C C -2.129 0.769 -8.824 1.00 . A A . 4 SER C 1 1 3 691 1 1 4 SER CA C -2.324 -0.745 -8.861 1.00 . A A . 4 SER CA 1 1 3 692 1 1 4 SER CB C -3.818 -1.070 -8.817 1.00 . A A . 4 SER CB 1 1 3 693 1 1 4 SER H H -2.163 -1.888 -7.043 1.00 . A A . 4 SER H 1 1 3 694 1 1 4 SER HA H -1.895 -1.141 -9.766 1.00 . A A . 4 SER HA 1 1 3 695 1 1 4 SER HB2 H -3.985 -2.060 -9.208 1.00 . A A . 4 SER HB2 1 1 3 696 1 1 4 SER HB3 H -4.165 -1.026 -7.794 1.00 . A A . 4 SER HB3 1 1 3 697 1 1 4 SER HG H -5.196 -0.603 -10.109 1.00 . A A . 4 SER HG 1 1 3 698 1 1 4 SER N N -1.647 -1.353 -7.681 1.00 . A A . 4 SER N 1 1 3 699 1 1 4 SER O O -1.608 1.363 -9.748 1.00 . A A . 4 SER O 1 1 3 700 1 1 4 SER OG O -4.525 -0.128 -9.612 1.00 . A A . 4 SER OG 1 1 3 701 1 1 5 SER C C -1.707 3.191 -6.298 1.00 . A A . 5 SER C 1 1 3 702 1 1 5 SER CA C -2.370 2.868 -7.647 1.00 . A A . 5 SER CA 1 1 3 703 1 1 5 SER CB C -3.743 3.544 -7.738 1.00 . A A . 5 SER CB 1 1 3 704 1 1 5 SER H H -2.947 0.890 -7.027 1.00 . A A . 5 SER H 1 1 3 705 1 1 5 SER HA H -1.744 3.214 -8.458 1.00 . A A . 5 SER HA 1 1 3 706 1 1 5 SER HB2 H -3.775 4.181 -8.608 1.00 . A A . 5 SER HB2 1 1 3 707 1 1 5 SER HB3 H -4.510 2.786 -7.827 1.00 . A A . 5 SER HB3 1 1 3 708 1 1 5 SER HG H -4.268 3.746 -5.875 1.00 . A A . 5 SER HG 1 1 3 709 1 1 5 SER N N -2.537 1.394 -7.759 1.00 . A A . 5 SER N 1 1 3 710 1 1 5 SER O O -2.227 2.865 -5.250 1.00 . A A . 5 SER O 1 1 3 711 1 1 5 SER OG O -3.969 4.330 -6.575 1.00 . A A . 5 SER OG 1 1 3 712 1 1 6 LEU C C -0.712 4.987 -4.104 1.00 . A A . 6 LEU C 1 1 3 713 1 1 6 LEU CA C 0.157 4.118 -5.033 1.00 . A A . 6 LEU CA 1 1 3 714 1 1 6 LEU CB C 1.468 4.854 -5.335 1.00 . A A . 6 LEU CB 1 1 3 715 1 1 6 LEU CD1 C 2.461 2.962 -6.637 1.00 . A A . 6 LEU CD1 1 1 3 716 1 1 6 LEU CD2 C 3.948 4.579 -5.447 1.00 . A A . 6 LEU CD2 1 1 3 717 1 1 6 LEU CG C 2.610 3.838 -5.392 1.00 . A A . 6 LEU CG 1 1 3 718 1 1 6 LEU H H -0.137 4.040 -7.173 1.00 . A A . 6 LEU H 1 1 3 719 1 1 6 LEU HA H 0.392 3.190 -4.530 1.00 . A A . 6 LEU HA 1 1 3 720 1 1 6 LEU HB2 H 1.393 5.371 -6.282 1.00 . A A . 6 LEU HB2 1 1 3 721 1 1 6 LEU HB3 H 1.666 5.569 -4.551 1.00 . A A . 6 LEU HB3 1 1 3 722 1 1 6 LEU HD11 H 2.146 1.971 -6.343 1.00 . A A . 6 LEU HD11 1 1 3 723 1 1 6 LEU HD12 H 3.410 2.897 -7.148 1.00 . A A . 6 LEU HD12 1 1 3 724 1 1 6 LEU HD13 H 1.725 3.393 -7.297 1.00 . A A . 6 LEU HD13 1 1 3 725 1 1 6 LEU HD21 H 4.647 4.111 -4.769 1.00 . A A . 6 LEU HD21 1 1 3 726 1 1 6 LEU HD22 H 3.802 5.609 -5.159 1.00 . A A . 6 LEU HD22 1 1 3 727 1 1 6 LEU HD23 H 4.342 4.538 -6.452 1.00 . A A . 6 LEU HD23 1 1 3 728 1 1 6 LEU HG H 2.576 3.216 -4.512 1.00 . A A . 6 LEU HG 1 1 3 729 1 1 6 LEU N N -0.552 3.806 -6.315 1.00 . A A . 6 LEU N 1 1 3 730 1 1 6 LEU O O -0.414 5.128 -2.934 1.00 . A A . 6 LEU O 1 1 3 731 1 1 7 MET C C -3.670 5.598 -2.984 1.00 . A A . 7 MET C 1 1 3 732 1 1 7 MET CA C -2.613 6.443 -3.712 1.00 . A A . 7 MET CA 1 1 3 733 1 1 7 MET CB C -3.308 7.516 -4.557 1.00 . A A . 7 MET CB 1 1 3 734 1 1 7 MET CE C -6.212 10.174 -4.154 1.00 . A A . 7 MET CE 1 1 3 735 1 1 7 MET CG C -4.378 8.221 -3.718 1.00 . A A . 7 MET CG 1 1 3 736 1 1 7 MET H H -2.001 5.482 -5.539 1.00 . A A . 7 MET H 1 1 3 737 1 1 7 MET HA H -1.981 6.925 -2.981 1.00 . A A . 7 MET HA 1 1 3 738 1 1 7 MET HB2 H -2.578 8.239 -4.890 1.00 . A A . 7 MET HB2 1 1 3 739 1 1 7 MET HB3 H -3.774 7.056 -5.416 1.00 . A A . 7 MET HB3 1 1 3 740 1 1 7 MET HE1 H -6.476 11.104 -3.669 1.00 . A A . 7 MET HE1 1 1 3 741 1 1 7 MET HE2 H -6.668 9.353 -3.625 1.00 . A A . 7 MET HE2 1 1 3 742 1 1 7 MET HE3 H -6.566 10.181 -5.176 1.00 . A A . 7 MET HE3 1 1 3 743 1 1 7 MET HG2 H -5.343 7.783 -3.922 1.00 . A A . 7 MET HG2 1 1 3 744 1 1 7 MET HG3 H -4.146 8.109 -2.669 1.00 . A A . 7 MET HG3 1 1 3 745 1 1 7 MET N N -1.769 5.585 -4.596 1.00 . A A . 7 MET N 1 1 3 746 1 1 7 MET O O -4.388 6.090 -2.136 1.00 . A A . 7 MET O 1 1 3 747 1 1 7 MET SD S -4.413 9.980 -4.142 1.00 . A A . 7 MET SD 1 1 3 748 1 1 8 ASP C C -4.566 3.519 -1.102 1.00 . A A . 8 ASP C 1 1 3 749 1 1 8 ASP CA C -4.792 3.479 -2.617 1.00 . A A . 8 ASP CA 1 1 3 750 1 1 8 ASP CB C -4.668 2.033 -3.108 1.00 . A A . 8 ASP CB 1 1 3 751 1 1 8 ASP CG C -6.030 1.342 -3.012 1.00 . A A . 8 ASP CG 1 1 3 752 1 1 8 ASP H H -3.195 3.951 -3.984 1.00 . A A . 8 ASP H 1 1 3 753 1 1 8 ASP HA H -5.782 3.850 -2.841 1.00 . A A . 8 ASP HA 1 1 3 754 1 1 8 ASP HB2 H -4.333 2.024 -4.133 1.00 . A A . 8 ASP HB2 1 1 3 755 1 1 8 ASP HB3 H -3.956 1.505 -2.492 1.00 . A A . 8 ASP HB3 1 1 3 756 1 1 8 ASP N N -3.777 4.335 -3.300 1.00 . A A . 8 ASP N 1 1 3 757 1 1 8 ASP O O -3.775 4.293 -0.602 1.00 . A A . 8 ASP O 1 1 3 758 1 1 8 ASP OD1 O -7.018 2.042 -2.858 1.00 . A A . 8 ASP OD1 1 1 3 759 1 1 8 ASP OD2 O -6.062 0.125 -3.095 1.00 . A A . 8 ASP OD2 1 1 3 760 1 1 9 LYS C C -4.389 1.367 1.546 1.00 . A A . 9 LYS C 1 1 3 761 1 1 9 LYS CA C -5.090 2.669 1.114 1.00 . A A . 9 LYS CA 1 1 3 762 1 1 9 LYS CB C -6.464 2.782 1.794 1.00 . A A . 9 LYS CB 1 1 3 763 1 1 9 LYS CD C -6.581 5.284 1.725 1.00 . A A . 9 LYS CD 1 1 3 764 1 1 9 LYS CE C -5.506 5.729 0.732 1.00 . A A . 9 LYS CE 1 1 3 765 1 1 9 LYS CG C -7.230 3.989 1.232 1.00 . A A . 9 LYS CG 1 1 3 766 1 1 9 LYS H H -5.887 2.075 -0.801 1.00 . A A . 9 LYS H 1 1 3 767 1 1 9 LYS HA H -4.476 3.509 1.410 1.00 . A A . 9 LYS HA 1 1 3 768 1 1 9 LYS HB2 H -7.030 1.881 1.612 1.00 . A A . 9 LYS HB2 1 1 3 769 1 1 9 LYS HB3 H -6.328 2.912 2.857 1.00 . A A . 9 LYS HB3 1 1 3 770 1 1 9 LYS HD2 H -7.334 6.055 1.809 1.00 . A A . 9 LYS HD2 1 1 3 771 1 1 9 LYS HD3 H -6.128 5.115 2.691 1.00 . A A . 9 LYS HD3 1 1 3 772 1 1 9 LYS HE2 H -4.547 5.345 1.044 1.00 . A A . 9 LYS HE2 1 1 3 773 1 1 9 LYS HE3 H -5.745 5.351 -0.251 1.00 . A A . 9 LYS HE3 1 1 3 774 1 1 9 LYS HG2 H -7.211 3.962 0.152 1.00 . A A . 9 LYS HG2 1 1 3 775 1 1 9 LYS HG3 H -8.256 3.956 1.573 1.00 . A A . 9 LYS HG3 1 1 3 776 1 1 9 LYS HZ1 H -5.549 7.543 -0.292 1.00 . A A . 9 LYS HZ1 1 1 3 777 1 1 9 LYS HZ2 H -4.544 7.544 1.079 1.00 . A A . 9 LYS HZ2 1 1 3 778 1 1 9 LYS HZ3 H -6.233 7.608 1.259 1.00 . A A . 9 LYS HZ3 1 1 3 779 1 1 9 LYS N N -5.257 2.686 -0.371 1.00 . A A . 9 LYS N 1 1 3 780 1 1 9 LYS NZ N -5.454 7.219 0.691 1.00 . A A . 9 LYS NZ 1 1 3 781 1 1 9 LYS O O -3.218 1.373 1.867 1.00 . A A . 9 LYS O 1 1 3 782 1 1 10 GLU C C -3.488 -1.490 0.861 1.00 . A A . 10 GLU C 1 1 3 783 1 1 10 GLU CA C -4.414 -1.018 1.978 1.00 . A A . 10 GLU CA 1 1 3 784 1 1 10 GLU CB C -5.467 -2.092 2.252 1.00 . A A . 10 GLU CB 1 1 3 785 1 1 10 GLU CD C -7.610 -2.493 3.470 1.00 . A A . 10 GLU CD 1 1 3 786 1 1 10 GLU CG C -6.728 -1.434 2.807 1.00 . A A . 10 GLU CG 1 1 3 787 1 1 10 GLU H H -6.023 0.243 1.306 1.00 . A A . 10 GLU H 1 1 3 788 1 1 10 GLU HA H -3.836 -0.840 2.871 1.00 . A A . 10 GLU HA 1 1 3 789 1 1 10 GLU HB2 H -5.704 -2.608 1.332 1.00 . A A . 10 GLU HB2 1 1 3 790 1 1 10 GLU HB3 H -5.084 -2.797 2.974 1.00 . A A . 10 GLU HB3 1 1 3 791 1 1 10 GLU HG2 H -6.449 -0.687 3.535 1.00 . A A . 10 GLU HG2 1 1 3 792 1 1 10 GLU HG3 H -7.271 -0.967 2.000 1.00 . A A . 10 GLU HG3 1 1 3 793 1 1 10 GLU N N -5.079 0.250 1.563 1.00 . A A . 10 GLU N 1 1 3 794 1 1 10 GLU O O -2.445 -2.065 1.106 1.00 . A A . 10 GLU O 1 1 3 795 1 1 10 GLU OE1 O -7.097 -3.233 4.293 1.00 . A A . 10 GLU OE1 1 1 3 796 1 1 10 GLU OE2 O -8.784 -2.547 3.144 1.00 . A A . 10 GLU OE2 1 1 3 797 1 1 11 CYS C C -1.687 -0.840 -1.402 1.00 . A A . 11 CYS C 1 1 3 798 1 1 11 CYS CA C -2.974 -1.651 -1.492 1.00 . A A . 11 CYS CA 1 1 3 799 1 1 11 CYS CB C -3.681 -1.366 -2.818 1.00 . A A . 11 CYS CB 1 1 3 800 1 1 11 CYS H H -4.679 -0.753 -0.542 1.00 . A A . 11 CYS H 1 1 3 801 1 1 11 CYS HA H -2.750 -2.702 -1.413 1.00 . A A . 11 CYS HA 1 1 3 802 1 1 11 CYS HB2 H -4.667 -1.805 -2.802 1.00 . A A . 11 CYS HB2 1 1 3 803 1 1 11 CYS HB3 H -3.766 -0.297 -2.959 1.00 . A A . 11 CYS HB3 1 1 3 804 1 1 11 CYS N N -3.848 -1.236 -0.365 1.00 . A A . 11 CYS N 1 1 3 805 1 1 11 CYS O O -0.665 -1.189 -1.960 1.00 . A A . 11 CYS O 1 1 3 806 1 1 11 CYS SG S -2.727 -2.077 -4.180 1.00 . A A . 11 CYS SG 1 1 3 807 1 1 12 VAL C C 0.384 0.511 0.526 1.00 . A A . 12 VAL C 1 1 3 808 1 1 12 VAL CA C -0.559 1.119 -0.522 1.00 . A A . 12 VAL CA 1 1 3 809 1 1 12 VAL CB C -1.054 2.494 -0.066 1.00 . A A . 12 VAL CB 1 1 3 810 1 1 12 VAL CG1 C 0.059 3.253 0.638 1.00 . A A . 12 VAL CG1 1 1 3 811 1 1 12 VAL CG2 C -1.512 3.279 -1.288 1.00 . A A . 12 VAL CG2 1 1 3 812 1 1 12 VAL H H -2.586 0.498 -0.256 1.00 . A A . 12 VAL H 1 1 3 813 1 1 12 VAL HA H -0.042 1.216 -1.463 1.00 . A A . 12 VAL HA 1 1 3 814 1 1 12 VAL HB H -1.883 2.372 0.612 1.00 . A A . 12 VAL HB 1 1 3 815 1 1 12 VAL HG11 H -0.134 3.260 1.701 1.00 . A A . 12 VAL HG11 1 1 3 816 1 1 12 VAL HG12 H 0.089 4.265 0.269 1.00 . A A . 12 VAL HG12 1 1 3 817 1 1 12 VAL HG13 H 1.002 2.767 0.445 1.00 . A A . 12 VAL HG13 1 1 3 818 1 1 12 VAL HG21 H -0.737 3.256 -2.039 1.00 . A A . 12 VAL HG21 1 1 3 819 1 1 12 VAL HG22 H -1.713 4.300 -1.004 1.00 . A A . 12 VAL HG22 1 1 3 820 1 1 12 VAL HG23 H -2.410 2.830 -1.685 1.00 . A A . 12 VAL HG23 1 1 3 821 1 1 12 VAL N N -1.745 0.248 -0.689 1.00 . A A . 12 VAL N 1 1 3 822 1 1 12 VAL O O 1.589 0.632 0.433 1.00 . A A . 12 VAL O 1 1 3 823 1 1 13 TYR C C 1.613 -1.802 1.927 1.00 . A A . 13 TYR C 1 1 3 824 1 1 13 TYR CA C 0.707 -0.753 2.566 1.00 . A A . 13 TYR CA 1 1 3 825 1 1 13 TYR CB C -0.178 -1.423 3.619 1.00 . A A . 13 TYR CB 1 1 3 826 1 1 13 TYR CD1 C -0.423 0.862 4.650 1.00 . A A . 13 TYR CD1 1 1 3 827 1 1 13 TYR CD2 C -2.333 -0.632 4.654 1.00 . A A . 13 TYR CD2 1 1 3 828 1 1 13 TYR CE1 C -1.184 1.838 5.306 1.00 . A A . 13 TYR CE1 1 1 3 829 1 1 13 TYR CE2 C -3.094 0.343 5.310 1.00 . A A . 13 TYR CE2 1 1 3 830 1 1 13 TYR CG C -0.997 -0.373 4.325 1.00 . A A . 13 TYR CG 1 1 3 831 1 1 13 TYR CZ C -2.520 1.578 5.635 1.00 . A A . 13 TYR CZ 1 1 3 832 1 1 13 TYR H H -1.126 -0.229 1.576 1.00 . A A . 13 TYR H 1 1 3 833 1 1 13 TYR HA H 1.311 0.010 3.032 1.00 . A A . 13 TYR HA 1 1 3 834 1 1 13 TYR HB2 H -0.839 -2.130 3.137 1.00 . A A . 13 TYR HB2 1 1 3 835 1 1 13 TYR HB3 H 0.441 -1.938 4.337 1.00 . A A . 13 TYR HB3 1 1 3 836 1 1 13 TYR HD1 H 0.607 1.063 4.397 1.00 . A A . 13 TYR HD1 1 1 3 837 1 1 13 TYR HD2 H -2.776 -1.584 4.403 1.00 . A A . 13 TYR HD2 1 1 3 838 1 1 13 TYR HE1 H -0.741 2.790 5.557 1.00 . A A . 13 TYR HE1 1 1 3 839 1 1 13 TYR HE2 H -4.124 0.143 5.564 1.00 . A A . 13 TYR HE2 1 1 3 840 1 1 13 TYR HH H -3.647 3.119 5.615 1.00 . A A . 13 TYR HH 1 1 3 841 1 1 13 TYR N N -0.155 -0.141 1.519 1.00 . A A . 13 TYR N 1 1 3 842 1 1 13 TYR O O 2.712 -2.051 2.381 1.00 . A A . 13 TYR O 1 1 3 843 1 1 13 TYR OH O -3.270 2.539 6.281 1.00 . A A . 13 TYR OH 1 1 3 844 1 1 14 PHE C C 3.262 -2.841 -0.345 1.00 . A A . 14 PHE C 1 1 3 845 1 1 14 PHE CA C 1.982 -3.466 0.214 1.00 . A A . 14 PHE CA 1 1 3 846 1 1 14 PHE CB C 1.176 -4.097 -0.923 1.00 . A A . 14 PHE CB 1 1 3 847 1 1 14 PHE CD1 C -0.477 -4.534 0.940 1.00 . A A . 14 PHE CD1 1 1 3 848 1 1 14 PHE CD2 C -1.245 -4.650 -1.357 1.00 . A A . 14 PHE CD2 1 1 3 849 1 1 14 PHE CE1 C -1.765 -4.848 1.388 1.00 . A A . 14 PHE CE1 1 1 3 850 1 1 14 PHE CE2 C -2.533 -4.967 -0.908 1.00 . A A . 14 PHE CE2 1 1 3 851 1 1 14 PHE CG C -0.215 -4.433 -0.434 1.00 . A A . 14 PHE CG 1 1 3 852 1 1 14 PHE CZ C -2.793 -5.065 0.464 1.00 . A A . 14 PHE CZ 1 1 3 853 1 1 14 PHE H H 0.261 -2.214 0.536 1.00 . A A . 14 PHE H 1 1 3 854 1 1 14 PHE HA H 2.239 -4.227 0.935 1.00 . A A . 14 PHE HA 1 1 3 855 1 1 14 PHE HB2 H 1.111 -3.402 -1.746 1.00 . A A . 14 PHE HB2 1 1 3 856 1 1 14 PHE HB3 H 1.668 -5.001 -1.253 1.00 . A A . 14 PHE HB3 1 1 3 857 1 1 14 PHE HD1 H 0.316 -4.367 1.654 1.00 . A A . 14 PHE HD1 1 1 3 858 1 1 14 PHE HD2 H -1.046 -4.574 -2.416 1.00 . A A . 14 PHE HD2 1 1 3 859 1 1 14 PHE HE1 H -1.966 -4.924 2.447 1.00 . A A . 14 PHE HE1 1 1 3 860 1 1 14 PHE HE2 H -3.327 -5.134 -1.620 1.00 . A A . 14 PHE HE2 1 1 3 861 1 1 14 PHE HZ H -3.787 -5.308 0.810 1.00 . A A . 14 PHE HZ 1 1 3 862 1 1 14 PHE N N 1.155 -2.426 0.880 1.00 . A A . 14 PHE N 1 1 3 863 1 1 14 PHE O O 4.265 -3.506 -0.509 1.00 . A A . 14 PHE O 1 1 3 864 1 1 15 CYS C C 5.416 -0.534 -0.047 1.00 . A A . 15 CYS C 1 1 3 865 1 1 15 CYS CA C 4.455 -0.908 -1.186 1.00 . A A . 15 CYS CA 1 1 3 866 1 1 15 CYS CB C 4.035 0.358 -1.932 1.00 . A A . 15 CYS CB 1 1 3 867 1 1 15 CYS H H 2.422 -1.046 -0.507 1.00 . A A . 15 CYS H 1 1 3 868 1 1 15 CYS HA H 4.952 -1.578 -1.871 1.00 . A A . 15 CYS HA 1 1 3 869 1 1 15 CYS HB2 H 3.331 0.905 -1.332 1.00 . A A . 15 CYS HB2 1 1 3 870 1 1 15 CYS HB3 H 4.897 0.971 -2.112 1.00 . A A . 15 CYS HB3 1 1 3 871 1 1 15 CYS N N 3.240 -1.569 -0.640 1.00 . A A . 15 CYS N 1 1 3 872 1 1 15 CYS O O 6.304 0.276 -0.221 1.00 . A A . 15 CYS O 1 1 3 873 1 1 15 CYS SG S 3.269 -0.090 -3.508 1.00 . A A . 15 CYS SG 1 1 3 874 1 1 16 HIS C C 5.733 0.513 2.918 1.00 . A A . 16 HIS C 1 1 3 875 1 1 16 HIS CA C 6.157 -0.804 2.258 1.00 . A A . 16 HIS CA 1 1 3 876 1 1 16 HIS CB C 7.596 -0.678 1.753 1.00 . A A . 16 HIS CB 1 1 3 877 1 1 16 HIS CD2 C 8.167 -1.640 -0.625 1.00 . A A . 16 HIS CD2 1 1 3 878 1 1 16 HIS CE1 C 8.084 -3.750 -0.139 1.00 . A A . 16 HIS CE1 1 1 3 879 1 1 16 HIS CG C 7.855 -1.729 0.709 1.00 . A A . 16 HIS CG 1 1 3 880 1 1 16 HIS H H 4.530 -1.771 1.235 1.00 . A A . 16 HIS H 1 1 3 881 1 1 16 HIS HA H 6.107 -1.602 2.985 1.00 . A A . 16 HIS HA 1 1 3 882 1 1 16 HIS HB2 H 7.742 0.302 1.322 1.00 . A A . 16 HIS HB2 1 1 3 883 1 1 16 HIS HB3 H 8.281 -0.814 2.577 1.00 . A A . 16 HIS HB3 1 1 3 884 1 1 16 HIS HD1 H 7.610 -3.484 1.870 1.00 . A A . 16 HIS HD1 1 1 3 885 1 1 16 HIS HD2 H 8.282 -0.719 -1.177 1.00 . A A . 16 HIS HD2 1 1 3 886 1 1 16 HIS HE1 H 8.117 -4.826 -0.217 1.00 . A A . 16 HIS HE1 1 1 3 887 1 1 16 HIS N N 5.249 -1.120 1.114 1.00 . A A . 16 HIS N 1 1 3 888 1 1 16 HIS ND1 N 7.808 -3.084 0.997 1.00 . A A . 16 HIS ND1 1 1 3 889 1 1 16 HIS NE2 N 8.310 -2.917 -1.159 1.00 . A A . 16 HIS NE2 1 1 3 890 1 1 16 HIS O O 6.559 1.331 3.273 1.00 . A A . 16 HIS O 1 1 3 891 1 1 17 LEU C C 3.426 1.715 5.103 1.00 . A A . 17 LEU C 1 1 3 892 1 1 17 LEU CA C 3.991 1.997 3.709 1.00 . A A . 17 LEU CA 1 1 3 893 1 1 17 LEU CB C 2.897 2.597 2.842 1.00 . A A . 17 LEU CB 1 1 3 894 1 1 17 LEU CD1 C 3.743 2.231 0.526 1.00 . A A . 17 LEU CD1 1 1 3 895 1 1 17 LEU CD2 C 2.586 4.364 1.107 1.00 . A A . 17 LEU CD2 1 1 3 896 1 1 17 LEU CG C 3.523 3.272 1.623 1.00 . A A . 17 LEU CG 1 1 3 897 1 1 17 LEU H H 3.796 0.076 2.787 1.00 . A A . 17 LEU H 1 1 3 898 1 1 17 LEU HA H 4.815 2.691 3.783 1.00 . A A . 17 LEU HA 1 1 3 899 1 1 17 LEU HB2 H 2.227 1.817 2.523 1.00 . A A . 17 LEU HB2 1 1 3 900 1 1 17 LEU HB3 H 2.354 3.315 3.410 1.00 . A A . 17 LEU HB3 1 1 3 901 1 1 17 LEU HD11 H 3.543 1.245 0.919 1.00 . A A . 17 LEU HD11 1 1 3 902 1 1 17 LEU HD12 H 4.766 2.280 0.182 1.00 . A A . 17 LEU HD12 1 1 3 903 1 1 17 LEU HD13 H 3.076 2.432 -0.299 1.00 . A A . 17 LEU HD13 1 1 3 904 1 1 17 LEU HD21 H 1.731 4.443 1.762 1.00 . A A . 17 LEU HD21 1 1 3 905 1 1 17 LEU HD22 H 2.254 4.112 0.110 1.00 . A A . 17 LEU HD22 1 1 3 906 1 1 17 LEU HD23 H 3.110 5.308 1.085 1.00 . A A . 17 LEU HD23 1 1 3 907 1 1 17 LEU HG H 4.472 3.708 1.901 1.00 . A A . 17 LEU HG 1 1 3 908 1 1 17 LEU N N 4.454 0.735 3.083 1.00 . A A . 17 LEU N 1 1 3 909 1 1 17 LEU O O 2.260 1.930 5.363 1.00 . A A . 17 LEU O 1 1 3 910 1 1 18 ASP C C 2.377 0.324 7.334 1.00 . A A . 18 ASP C 1 1 3 911 1 1 18 ASP CA C 3.773 0.951 7.383 1.00 . A A . 18 ASP CA 1 1 3 912 1 1 18 ASP CB C 3.719 2.254 8.185 1.00 . A A . 18 ASP CB 1 1 3 913 1 1 18 ASP CG C 2.961 2.019 9.493 1.00 . A A . 18 ASP CG 1 1 3 914 1 1 18 ASP H H 5.182 1.092 5.761 1.00 . A A . 18 ASP H 1 1 3 915 1 1 18 ASP HA H 4.459 0.267 7.859 1.00 . A A . 18 ASP HA 1 1 3 916 1 1 18 ASP HB2 H 4.725 2.582 8.404 1.00 . A A . 18 ASP HB2 1 1 3 917 1 1 18 ASP HB3 H 3.211 3.010 7.607 1.00 . A A . 18 ASP HB3 1 1 3 918 1 1 18 ASP N N 4.248 1.245 5.998 1.00 . A A . 18 ASP N 1 1 3 919 1 1 18 ASP O O 1.393 0.952 7.672 1.00 . A A . 18 ASP O 1 1 3 920 1 1 18 ASP OD1 O 3.083 0.936 10.039 1.00 . A A . 18 ASP OD1 1 1 3 921 1 1 18 ASP OD2 O 2.272 2.928 9.926 1.00 . A A . 18 ASP OD2 1 1 3 922 1 1 19 ILE C C 0.280 -1.508 8.232 1.00 . A A . 19 ILE C 1 1 3 923 1 1 19 ILE CA C 0.943 -1.566 6.852 1.00 . A A . 19 ILE CA 1 1 3 924 1 1 19 ILE CB C 1.113 -3.030 6.412 1.00 . A A . 19 ILE CB 1 1 3 925 1 1 19 ILE CD1 C 1.566 -5.366 7.190 1.00 . A A . 19 ILE CD1 1 1 3 926 1 1 19 ILE CG1 C 1.513 -3.900 7.613 1.00 . A A . 19 ILE CG1 1 1 3 927 1 1 19 ILE CG2 C 2.202 -3.120 5.343 1.00 . A A . 19 ILE CG2 1 1 3 928 1 1 19 ILE H H 3.078 -1.405 6.648 1.00 . A A . 19 ILE H 1 1 3 929 1 1 19 ILE HA H 0.324 -1.047 6.135 1.00 . A A . 19 ILE HA 1 1 3 930 1 1 19 ILE HB H 0.185 -3.390 6.001 1.00 . A A . 19 ILE HB 1 1 3 931 1 1 19 ILE HD11 H 2.583 -5.633 6.945 1.00 . A A . 19 ILE HD11 1 1 3 932 1 1 19 ILE HD12 H 0.936 -5.515 6.327 1.00 . A A . 19 ILE HD12 1 1 3 933 1 1 19 ILE HD13 H 1.217 -5.986 8.003 1.00 . A A . 19 ILE HD13 1 1 3 934 1 1 19 ILE HG12 H 2.483 -3.592 7.975 1.00 . A A . 19 ILE HG12 1 1 3 935 1 1 19 ILE HG13 H 0.783 -3.785 8.398 1.00 . A A . 19 ILE HG13 1 1 3 936 1 1 19 ILE HG21 H 1.971 -3.927 4.662 1.00 . A A . 19 ILE HG21 1 1 3 937 1 1 19 ILE HG22 H 3.156 -3.306 5.813 1.00 . A A . 19 ILE HG22 1 1 3 938 1 1 19 ILE HG23 H 2.246 -2.189 4.796 1.00 . A A . 19 ILE HG23 1 1 3 939 1 1 19 ILE N N 2.277 -0.911 6.917 1.00 . A A . 19 ILE N 1 1 3 940 1 1 19 ILE O O 0.863 -1.898 9.225 1.00 . A A . 19 ILE O 1 1 3 941 1 1 20 ILE C C -2.824 -1.875 9.645 1.00 . A A . 20 ILE C 1 1 3 942 1 1 20 ILE CA C -1.602 -0.958 9.641 1.00 . A A . 20 ILE CA 1 1 3 943 1 1 20 ILE CB C -2.036 0.479 9.928 1.00 . A A . 20 ILE CB 1 1 3 944 1 1 20 ILE CD1 C 0.054 0.627 11.297 1.00 . A A . 20 ILE CD1 1 1 3 945 1 1 20 ILE CG1 C -0.802 1.328 10.242 1.00 . A A . 20 ILE CG1 1 1 3 946 1 1 20 ILE CG2 C -2.983 0.499 11.129 1.00 . A A . 20 ILE CG2 1 1 3 947 1 1 20 ILE H H -1.390 -0.702 7.504 1.00 . A A . 20 ILE H 1 1 3 948 1 1 20 ILE HA H -0.914 -1.287 10.407 1.00 . A A . 20 ILE HA 1 1 3 949 1 1 20 ILE HB H -2.542 0.882 9.063 1.00 . A A . 20 ILE HB 1 1 3 950 1 1 20 ILE HD11 H 0.678 1.354 11.797 1.00 . A A . 20 ILE HD11 1 1 3 951 1 1 20 ILE HD12 H 0.677 -0.115 10.821 1.00 . A A . 20 ILE HD12 1 1 3 952 1 1 20 ILE HD13 H -0.589 0.146 12.020 1.00 . A A . 20 ILE HD13 1 1 3 953 1 1 20 ILE HG12 H -0.222 1.470 9.341 1.00 . A A . 20 ILE HG12 1 1 3 954 1 1 20 ILE HG13 H -1.118 2.286 10.620 1.00 . A A . 20 ILE HG13 1 1 3 955 1 1 20 ILE HG21 H -3.992 0.309 10.794 1.00 . A A . 20 ILE HG21 1 1 3 956 1 1 20 ILE HG22 H -2.939 1.467 11.606 1.00 . A A . 20 ILE HG22 1 1 3 957 1 1 20 ILE HG23 H -2.688 -0.263 11.834 1.00 . A A . 20 ILE HG23 1 1 3 958 1 1 20 ILE N N -0.928 -1.024 8.312 1.00 . A A . 20 ILE N 1 1 3 959 1 1 20 ILE O O -3.947 -1.433 9.514 1.00 . A A . 20 ILE O 1 1 3 960 1 1 21 TRP C C -4.758 -3.676 10.898 1.00 . A A . 21 TRP C 1 1 3 961 1 1 21 TRP CA C -3.762 -4.099 9.816 1.00 . A A . 21 TRP CA 1 1 3 962 1 1 21 TRP CB C -3.297 -5.539 10.091 1.00 . A A . 21 TRP CB 1 1 3 963 1 1 21 TRP CD1 C -1.102 -6.584 10.773 1.00 . A A . 21 TRP CD1 1 1 3 964 1 1 21 TRP CD2 C -1.460 -4.628 11.830 1.00 . A A . 21 TRP CD2 1 1 3 965 1 1 21 TRP CE2 C -0.212 -5.117 12.284 1.00 . A A . 21 TRP CE2 1 1 3 966 1 1 21 TRP CE3 C -1.915 -3.403 12.348 1.00 . A A . 21 TRP CE3 1 1 3 967 1 1 21 TRP CG C -2.005 -5.579 10.860 1.00 . A A . 21 TRP CG 1 1 3 968 1 1 21 TRP CH2 C 0.084 -3.204 13.723 1.00 . A A . 21 TRP CH2 1 1 3 969 1 1 21 TRP CZ2 C 0.553 -4.419 13.218 1.00 . A A . 21 TRP CZ2 1 1 3 970 1 1 21 TRP CZ3 C -1.147 -2.697 13.288 1.00 . A A . 21 TRP CZ3 1 1 3 971 1 1 21 TRP H H -1.695 -3.480 9.902 1.00 . A A . 21 TRP H 1 1 3 972 1 1 21 TRP HA H -4.256 -4.066 8.855 1.00 . A A . 21 TRP HA 1 1 3 973 1 1 21 TRP HB2 H -4.058 -6.051 10.662 1.00 . A A . 21 TRP HB2 1 1 3 974 1 1 21 TRP HB3 H -3.164 -6.051 9.149 1.00 . A A . 21 TRP HB3 1 1 3 975 1 1 21 TRP HD1 H -1.197 -7.458 10.146 1.00 . A A . 21 TRP HD1 1 1 3 976 1 1 21 TRP HE1 H 0.750 -6.879 11.730 1.00 . A A . 21 TRP HE1 1 1 3 977 1 1 21 TRP HE3 H -2.857 -3.001 12.019 1.00 . A A . 21 TRP HE3 1 1 3 978 1 1 21 TRP HH2 H 0.670 -2.656 14.446 1.00 . A A . 21 TRP HH2 1 1 3 979 1 1 21 TRP HZ2 H 1.502 -4.815 13.548 1.00 . A A . 21 TRP HZ2 1 1 3 980 1 1 21 TRP HZ3 H -1.508 -1.757 13.679 1.00 . A A . 21 TRP HZ3 1 1 3 981 1 1 21 TRP N N -2.609 -3.152 9.799 1.00 . A A . 21 TRP N 1 1 3 982 1 1 21 TRP NE1 N -0.039 -6.309 11.613 1.00 . A A . 21 TRP NE1 1 1 3 983 1 1 21 TRP O O -5.636 -2.887 10.592 1.00 . A A . 21 TRP O 1 1 3 984 1 1 21 TRP OXT O -4.623 -4.149 12.015 1.00 . A A . 21 TRP OXT 1 1 4 985 1 1 1 CYS C C 5.907 -2.299 -5.182 1.00 . A A . 1 CYS C 1 1 4 986 1 1 1 CYS CA C 6.667 -1.641 -4.029 1.00 . A A . 1 CYS CA 1 1 4 987 1 1 1 CYS CB C 7.307 -0.339 -4.518 1.00 . A A . 1 CYS CB 1 1 4 988 1 1 1 CYS H1 H 7.407 -3.042 -2.679 1.00 . A A . 1 CYS H1 1 1 4 989 1 1 1 CYS H2 H 8.594 -2.022 -3.339 1.00 . A A . 1 CYS H2 1 1 4 990 1 1 1 CYS H3 H 7.932 -3.277 -4.274 1.00 . A A . 1 CYS H3 1 1 4 991 1 1 1 CYS HA H 5.981 -1.425 -3.224 1.00 . A A . 1 CYS HA 1 1 4 992 1 1 1 CYS HB2 H 8.375 -0.473 -4.603 1.00 . A A . 1 CYS HB2 1 1 4 993 1 1 1 CYS HB3 H 6.899 -0.077 -5.483 1.00 . A A . 1 CYS HB3 1 1 4 994 1 1 1 CYS N N 7.730 -2.564 -3.544 1.00 . A A . 1 CYS N 1 1 4 995 1 1 1 CYS O O 6.434 -2.479 -6.263 1.00 . A A . 1 CYS O 1 1 4 996 1 1 1 CYS SG S 6.958 0.987 -3.335 1.00 . A A . 1 CYS SG 1 1 4 997 1 1 2 SER C C 2.392 -3.245 -5.714 1.00 . A A . 2 SER C 1 1 4 998 1 1 2 SER CA C 3.884 -3.306 -6.051 1.00 . A A . 2 SER CA 1 1 4 999 1 1 2 SER CB C 4.314 -4.765 -6.192 1.00 . A A . 2 SER CB 1 1 4 1000 1 1 2 SER H H 4.264 -2.507 -4.086 1.00 . A A . 2 SER H 1 1 4 1001 1 1 2 SER HA H 4.063 -2.787 -6.980 1.00 . A A . 2 SER HA 1 1 4 1002 1 1 2 SER HB2 H 3.597 -5.404 -5.704 1.00 . A A . 2 SER HB2 1 1 4 1003 1 1 2 SER HB3 H 4.367 -5.023 -7.242 1.00 . A A . 2 SER HB3 1 1 4 1004 1 1 2 SER HG H 6.250 -4.951 -6.279 1.00 . A A . 2 SER HG 1 1 4 1005 1 1 2 SER N N 4.672 -2.659 -4.964 1.00 . A A . 2 SER N 1 1 4 1006 1 1 2 SER O O 1.857 -4.115 -5.056 1.00 . A A . 2 SER O 1 1 4 1007 1 1 2 SER OG O 5.588 -4.941 -5.585 1.00 . A A . 2 SER OG 1 1 4 1008 1 1 3 CYS C C -0.454 -1.587 -7.138 1.00 . A A . 3 CYS C 1 1 4 1009 1 1 3 CYS CA C 0.255 -2.113 -5.884 1.00 . A A . 3 CYS CA 1 1 4 1010 1 1 3 CYS CB C 0.036 -1.148 -4.707 1.00 . A A . 3 CYS CB 1 1 4 1011 1 1 3 CYS H H 2.162 -1.539 -6.702 1.00 . A A . 3 CYS H 1 1 4 1012 1 1 3 CYS HA H -0.135 -3.088 -5.628 1.00 . A A . 3 CYS HA 1 1 4 1013 1 1 3 CYS HB2 H 0.275 -1.651 -3.784 1.00 . A A . 3 CYS HB2 1 1 4 1014 1 1 3 CYS HB3 H 0.679 -0.288 -4.824 1.00 . A A . 3 CYS HB3 1 1 4 1015 1 1 3 CYS N N 1.714 -2.227 -6.168 1.00 . A A . 3 CYS N 1 1 4 1016 1 1 3 CYS O O 0.164 -1.024 -8.020 1.00 . A A . 3 CYS O 1 1 4 1017 1 1 3 CYS SG S -1.691 -0.606 -4.649 1.00 . A A . 3 CYS SG 1 1 4 1018 1 1 4 SER C C -2.254 0.241 -8.558 1.00 . A A . 4 SER C 1 1 4 1019 1 1 4 SER CA C -2.483 -1.263 -8.420 1.00 . A A . 4 SER CA 1 1 4 1020 1 1 4 SER CB C -3.978 -1.540 -8.253 1.00 . A A . 4 SER CB 1 1 4 1021 1 1 4 SER H H -2.230 -2.211 -6.503 1.00 . A A . 4 SER H 1 1 4 1022 1 1 4 SER HA H -2.120 -1.763 -9.302 1.00 . A A . 4 SER HA 1 1 4 1023 1 1 4 SER HB2 H -4.186 -2.565 -8.508 1.00 . A A . 4 SER HB2 1 1 4 1024 1 1 4 SER HB3 H -4.262 -1.363 -7.224 1.00 . A A . 4 SER HB3 1 1 4 1025 1 1 4 SER HG H -4.607 0.218 -8.802 1.00 . A A . 4 SER HG 1 1 4 1026 1 1 4 SER N N -1.746 -1.760 -7.225 1.00 . A A . 4 SER N 1 1 4 1027 1 1 4 SER O O -1.775 0.720 -9.566 1.00 . A A . 4 SER O 1 1 4 1028 1 1 4 SER OG O -4.714 -0.683 -9.116 1.00 . A A . 4 SER OG 1 1 4 1029 1 1 5 SER C C -1.795 2.922 -6.253 1.00 . A A . 5 SER C 1 1 4 1030 1 1 5 SER CA C -2.381 2.457 -7.597 1.00 . A A . 5 SER CA 1 1 4 1031 1 1 5 SER CB C -3.723 3.149 -7.861 1.00 . A A . 5 SER CB 1 1 4 1032 1 1 5 SER H H -2.961 0.572 -6.740 1.00 . A A . 5 SER H 1 1 4 1033 1 1 5 SER HA H -1.692 2.688 -8.399 1.00 . A A . 5 SER HA 1 1 4 1034 1 1 5 SER HB2 H -3.677 3.681 -8.796 1.00 . A A . 5 SER HB2 1 1 4 1035 1 1 5 SER HB3 H -4.505 2.403 -7.916 1.00 . A A . 5 SER HB3 1 1 4 1036 1 1 5 SER HG H -4.309 3.570 -6.052 1.00 . A A . 5 SER HG 1 1 4 1037 1 1 5 SER N N -2.584 0.984 -7.543 1.00 . A A . 5 SER N 1 1 4 1038 1 1 5 SER O O -2.390 2.732 -5.210 1.00 . A A . 5 SER O 1 1 4 1039 1 1 5 SER OG O -4.001 4.069 -6.812 1.00 . A A . 5 SER OG 1 1 4 1040 1 1 6 LEU C C -0.913 4.889 -4.192 1.00 . A A . 6 LEU C 1 1 4 1041 1 1 6 LEU CA C 0.014 3.947 -4.985 1.00 . A A . 6 LEU CA 1 1 4 1042 1 1 6 LEU CB C 1.334 4.666 -5.286 1.00 . A A . 6 LEU CB 1 1 4 1043 1 1 6 LEU CD1 C 2.401 2.659 -6.334 1.00 . A A . 6 LEU CD1 1 1 4 1044 1 1 6 LEU CD2 C 3.818 4.407 -5.247 1.00 . A A . 6 LEU CD2 1 1 4 1045 1 1 6 LEU CG C 2.483 3.662 -5.182 1.00 . A A . 6 LEU CG 1 1 4 1046 1 1 6 LEU H H -0.148 3.626 -7.112 1.00 . A A . 6 LEU H 1 1 4 1047 1 1 6 LEU HA H 0.229 3.076 -4.380 1.00 . A A . 6 LEU HA 1 1 4 1048 1 1 6 LEU HB2 H 1.308 5.085 -6.282 1.00 . A A . 6 LEU HB2 1 1 4 1049 1 1 6 LEU HB3 H 1.485 5.457 -4.566 1.00 . A A . 6 LEU HB3 1 1 4 1050 1 1 6 LEU HD11 H 3.191 1.930 -6.232 1.00 . A A . 6 LEU HD11 1 1 4 1051 1 1 6 LEU HD12 H 2.512 3.180 -7.273 1.00 . A A . 6 LEU HD12 1 1 4 1052 1 1 6 LEU HD13 H 1.444 2.161 -6.309 1.00 . A A . 6 LEU HD13 1 1 4 1053 1 1 6 LEU HD21 H 3.824 5.061 -6.106 1.00 . A A . 6 LEU HD21 1 1 4 1054 1 1 6 LEU HD22 H 4.625 3.694 -5.332 1.00 . A A . 6 LEU HD22 1 1 4 1055 1 1 6 LEU HD23 H 3.949 4.993 -4.349 1.00 . A A . 6 LEU HD23 1 1 4 1056 1 1 6 LEU HG H 2.409 3.133 -4.244 1.00 . A A . 6 LEU HG 1 1 4 1057 1 1 6 LEU N N -0.622 3.502 -6.264 1.00 . A A . 6 LEU N 1 1 4 1058 1 1 6 LEU O O -0.689 5.136 -3.024 1.00 . A A . 6 LEU O 1 1 4 1059 1 1 7 MET C C -3.926 5.573 -3.310 1.00 . A A . 7 MET C 1 1 4 1060 1 1 7 MET CA C -2.838 6.359 -4.057 1.00 . A A . 7 MET CA 1 1 4 1061 1 1 7 MET CB C -3.495 7.334 -5.041 1.00 . A A . 7 MET CB 1 1 4 1062 1 1 7 MET CE C -5.468 9.500 -6.503 1.00 . A A . 7 MET CE 1 1 4 1063 1 1 7 MET CG C -4.615 8.102 -4.336 1.00 . A A . 7 MET CG 1 1 4 1064 1 1 7 MET H H -2.107 5.240 -5.744 1.00 . A A . 7 MET H 1 1 4 1065 1 1 7 MET HA H -2.254 6.919 -3.341 1.00 . A A . 7 MET HA 1 1 4 1066 1 1 7 MET HB2 H -2.752 8.032 -5.402 1.00 . A A . 7 MET HB2 1 1 4 1067 1 1 7 MET HB3 H -3.905 6.785 -5.875 1.00 . A A . 7 MET HB3 1 1 4 1068 1 1 7 MET HE1 H -5.543 8.434 -6.663 1.00 . A A . 7 MET HE1 1 1 4 1069 1 1 7 MET HE2 H -4.899 9.944 -7.305 1.00 . A A . 7 MET HE2 1 1 4 1070 1 1 7 MET HE3 H -6.456 9.937 -6.479 1.00 . A A . 7 MET HE3 1 1 4 1071 1 1 7 MET HG2 H -5.565 7.635 -4.555 1.00 . A A . 7 MET HG2 1 1 4 1072 1 1 7 MET HG3 H -4.446 8.091 -3.270 1.00 . A A . 7 MET HG3 1 1 4 1073 1 1 7 MET N N -1.937 5.431 -4.803 1.00 . A A . 7 MET N 1 1 4 1074 1 1 7 MET O O -4.692 6.133 -2.550 1.00 . A A . 7 MET O 1 1 4 1075 1 1 7 MET SD S -4.635 9.814 -4.926 1.00 . A A . 7 MET SD 1 1 4 1076 1 1 8 ASP C C -4.866 3.628 -1.290 1.00 . A A . 8 ASP C 1 1 4 1077 1 1 8 ASP CA C -5.049 3.483 -2.801 1.00 . A A . 8 ASP CA 1 1 4 1078 1 1 8 ASP CB C -4.926 2.003 -3.184 1.00 . A A . 8 ASP CB 1 1 4 1079 1 1 8 ASP CG C -6.311 1.351 -3.149 1.00 . A A . 8 ASP CG 1 1 4 1080 1 1 8 ASP H H -3.385 3.845 -4.124 1.00 . A A . 8 ASP H 1 1 4 1081 1 1 8 ASP HA H -6.028 3.844 -3.078 1.00 . A A . 8 ASP HA 1 1 4 1082 1 1 8 ASP HB2 H -4.515 1.917 -4.177 1.00 . A A . 8 ASP HB2 1 1 4 1083 1 1 8 ASP HB3 H -4.279 1.503 -2.480 1.00 . A A . 8 ASP HB3 1 1 4 1084 1 1 8 ASP N N -4.006 4.284 -3.512 1.00 . A A . 8 ASP N 1 1 4 1085 1 1 8 ASP O O -4.358 4.620 -0.806 1.00 . A A . 8 ASP O 1 1 4 1086 1 1 8 ASP OD1 O -6.817 1.141 -2.060 1.00 . A A . 8 ASP OD1 1 1 4 1087 1 1 8 ASP OD2 O -6.839 1.073 -4.213 1.00 . A A . 8 ASP OD2 1 1 4 1088 1 1 9 LYS C C -4.473 1.420 1.464 1.00 . A A . 9 LYS C 1 1 4 1089 1 1 9 LYS CA C -5.126 2.714 0.944 1.00 . A A . 9 LYS CA 1 1 4 1090 1 1 9 LYS CB C -6.505 2.920 1.594 1.00 . A A . 9 LYS CB 1 1 4 1091 1 1 9 LYS CD C -6.618 5.400 1.123 1.00 . A A . 9 LYS CD 1 1 4 1092 1 1 9 LYS CE C -6.224 5.516 2.597 1.00 . A A . 9 LYS CE 1 1 4 1093 1 1 9 LYS CG C -7.272 4.036 0.859 1.00 . A A . 9 LYS CG 1 1 4 1094 1 1 9 LYS H H -5.679 1.852 -0.959 1.00 . A A . 9 LYS H 1 1 4 1095 1 1 9 LYS HA H -4.487 3.549 1.193 1.00 . A A . 9 LYS HA 1 1 4 1096 1 1 9 LYS HB2 H -7.069 2.001 1.536 1.00 . A A . 9 LYS HB2 1 1 4 1097 1 1 9 LYS HB3 H -6.376 3.197 2.629 1.00 . A A . 9 LYS HB3 1 1 4 1098 1 1 9 LYS HD2 H -5.740 5.505 0.504 1.00 . A A . 9 LYS HD2 1 1 4 1099 1 1 9 LYS HD3 H -7.321 6.186 0.880 1.00 . A A . 9 LYS HD3 1 1 4 1100 1 1 9 LYS HE2 H -6.938 4.979 3.204 1.00 . A A . 9 LYS HE2 1 1 4 1101 1 1 9 LYS HE3 H -5.240 5.092 2.740 1.00 . A A . 9 LYS HE3 1 1 4 1102 1 1 9 LYS HG2 H -7.263 3.837 -0.201 1.00 . A A . 9 LYS HG2 1 1 4 1103 1 1 9 LYS HG3 H -8.297 4.063 1.210 1.00 . A A . 9 LYS HG3 1 1 4 1104 1 1 9 LYS HZ1 H -5.390 7.423 2.566 1.00 . A A . 9 LYS HZ1 1 1 4 1105 1 1 9 LYS HZ2 H -6.146 7.021 4.033 1.00 . A A . 9 LYS HZ2 1 1 4 1106 1 1 9 LYS HZ3 H -7.082 7.411 2.670 1.00 . A A . 9 LYS HZ3 1 1 4 1107 1 1 9 LYS N N -5.275 2.641 -0.542 1.00 . A A . 9 LYS N 1 1 4 1108 1 1 9 LYS NZ N -6.209 6.950 2.997 1.00 . A A . 9 LYS NZ 1 1 4 1109 1 1 9 LYS O O -3.302 1.401 1.782 1.00 . A A . 9 LYS O 1 1 4 1110 1 1 10 GLU C C -3.649 -1.481 0.975 1.00 . A A . 10 GLU C 1 1 4 1111 1 1 10 GLU CA C -4.603 -0.932 2.042 1.00 . A A . 10 GLU CA 1 1 4 1112 1 1 10 GLU CB C -5.726 -1.941 2.323 1.00 . A A . 10 GLU CB 1 1 4 1113 1 1 10 GLU CD C -5.732 -4.180 3.435 1.00 . A A . 10 GLU CD 1 1 4 1114 1 1 10 GLU CG C -5.180 -3.369 2.262 1.00 . A A . 10 GLU CG 1 1 4 1115 1 1 10 GLU H H -6.144 0.353 1.293 1.00 . A A . 10 GLU H 1 1 4 1116 1 1 10 GLU HA H -4.053 -0.739 2.951 1.00 . A A . 10 GLU HA 1 1 4 1117 1 1 10 GLU HB2 H -6.136 -1.757 3.305 1.00 . A A . 10 GLU HB2 1 1 4 1118 1 1 10 GLU HB3 H -6.505 -1.824 1.584 1.00 . A A . 10 GLU HB3 1 1 4 1119 1 1 10 GLU HG2 H -5.482 -3.827 1.330 1.00 . A A . 10 GLU HG2 1 1 4 1120 1 1 10 GLU HG3 H -4.102 -3.343 2.318 1.00 . A A . 10 GLU HG3 1 1 4 1121 1 1 10 GLU N N -5.205 0.338 1.551 1.00 . A A . 10 GLU N 1 1 4 1122 1 1 10 GLU O O -2.655 -2.108 1.280 1.00 . A A . 10 GLU O 1 1 4 1123 1 1 10 GLU OE1 O -5.378 -3.873 4.561 1.00 . A A . 10 GLU OE1 1 1 4 1124 1 1 10 GLU OE2 O -6.499 -5.096 3.188 1.00 . A A . 10 GLU OE2 1 1 4 1125 1 1 11 CYS C C -1.790 -0.846 -1.372 1.00 . A A . 11 CYS C 1 1 4 1126 1 1 11 CYS CA C -3.040 -1.721 -1.356 1.00 . A A . 11 CYS CA 1 1 4 1127 1 1 11 CYS CB C -3.764 -1.618 -2.700 1.00 . A A . 11 CYS CB 1 1 4 1128 1 1 11 CYS H H -4.733 -0.710 -0.497 1.00 . A A . 11 CYS H 1 1 4 1129 1 1 11 CYS HA H -2.761 -2.747 -1.169 1.00 . A A . 11 CYS HA 1 1 4 1130 1 1 11 CYS HB2 H -4.671 -2.204 -2.667 1.00 . A A . 11 CYS HB2 1 1 4 1131 1 1 11 CYS HB3 H -4.012 -0.585 -2.897 1.00 . A A . 11 CYS HB3 1 1 4 1132 1 1 11 CYS N N -3.938 -1.234 -0.273 1.00 . A A . 11 CYS N 1 1 4 1133 1 1 11 CYS O O -0.807 -1.148 -2.019 1.00 . A A . 11 CYS O 1 1 4 1134 1 1 11 CYS SG S -2.693 -2.241 -4.017 1.00 . A A . 11 CYS SG 1 1 4 1135 1 1 12 VAL C C 0.362 0.652 0.400 1.00 . A A . 12 VAL C 1 1 4 1136 1 1 12 VAL CA C -0.677 1.167 -0.609 1.00 . A A . 12 VAL CA 1 1 4 1137 1 1 12 VAL CB C -1.192 2.544 -0.184 1.00 . A A . 12 VAL CB 1 1 4 1138 1 1 12 VAL CG1 C -0.044 3.400 0.327 1.00 . A A . 12 VAL CG1 1 1 4 1139 1 1 12 VAL CG2 C -1.845 3.228 -1.384 1.00 . A A . 12 VAL CG2 1 1 4 1140 1 1 12 VAL H H -2.645 0.461 -0.156 1.00 . A A . 12 VAL H 1 1 4 1141 1 1 12 VAL HA H -0.226 1.238 -1.584 1.00 . A A . 12 VAL HA 1 1 4 1142 1 1 12 VAL HB H -1.920 2.429 0.601 1.00 . A A . 12 VAL HB 1 1 4 1143 1 1 12 VAL HG11 H 0.428 2.901 1.160 1.00 . A A . 12 VAL HG11 1 1 4 1144 1 1 12 VAL HG12 H -0.428 4.356 0.647 1.00 . A A . 12 VAL HG12 1 1 4 1145 1 1 12 VAL HG13 H 0.674 3.542 -0.465 1.00 . A A . 12 VAL HG13 1 1 4 1146 1 1 12 VAL HG21 H -2.728 2.677 -1.674 1.00 . A A . 12 VAL HG21 1 1 4 1147 1 1 12 VAL HG22 H -1.148 3.251 -2.208 1.00 . A A . 12 VAL HG22 1 1 4 1148 1 1 12 VAL HG23 H -2.122 4.237 -1.117 1.00 . A A . 12 VAL HG23 1 1 4 1149 1 1 12 VAL N N -1.835 0.243 -0.659 1.00 . A A . 12 VAL N 1 1 4 1150 1 1 12 VAL O O 1.550 0.822 0.215 1.00 . A A . 12 VAL O 1 1 4 1151 1 1 13 TYR C C 1.978 -1.322 1.797 1.00 . A A . 13 TYR C 1 1 4 1152 1 1 13 TYR CA C 0.895 -0.483 2.476 1.00 . A A . 13 TYR CA 1 1 4 1153 1 1 13 TYR CB C 0.148 -1.355 3.485 1.00 . A A . 13 TYR CB 1 1 4 1154 1 1 13 TYR CD1 C -0.832 0.827 4.273 1.00 . A A . 13 TYR CD1 1 1 4 1155 1 1 13 TYR CD2 C -2.140 -1.198 4.524 1.00 . A A . 13 TYR CD2 1 1 4 1156 1 1 13 TYR CE1 C -1.868 1.569 4.853 1.00 . A A . 13 TYR CE1 1 1 4 1157 1 1 13 TYR CE2 C -3.177 -0.457 5.104 1.00 . A A . 13 TYR CE2 1 1 4 1158 1 1 13 TYR CG C -0.968 -0.557 4.109 1.00 . A A . 13 TYR CG 1 1 4 1159 1 1 13 TYR CZ C -3.040 0.927 5.269 1.00 . A A . 13 TYR CZ 1 1 4 1160 1 1 13 TYR H H -1.031 -0.099 1.600 1.00 . A A . 13 TYR H 1 1 4 1161 1 1 13 TYR HA H 1.353 0.348 2.991 1.00 . A A . 13 TYR HA 1 1 4 1162 1 1 13 TYR HB2 H -0.263 -2.217 2.981 1.00 . A A . 13 TYR HB2 1 1 4 1163 1 1 13 TYR HB3 H 0.830 -1.680 4.254 1.00 . A A . 13 TYR HB3 1 1 4 1164 1 1 13 TYR HD1 H 0.073 1.323 3.953 1.00 . A A . 13 TYR HD1 1 1 4 1165 1 1 13 TYR HD2 H -2.246 -2.266 4.397 1.00 . A A . 13 TYR HD2 1 1 4 1166 1 1 13 TYR HE1 H -1.763 2.636 4.981 1.00 . A A . 13 TYR HE1 1 1 4 1167 1 1 13 TYR HE2 H -4.082 -0.953 5.424 1.00 . A A . 13 TYR HE2 1 1 4 1168 1 1 13 TYR HH H -3.887 1.727 6.782 1.00 . A A . 13 TYR HH 1 1 4 1169 1 1 13 TYR N N -0.071 0.030 1.463 1.00 . A A . 13 TYR N 1 1 4 1170 1 1 13 TYR O O 3.071 -1.471 2.306 1.00 . A A . 13 TYR O 1 1 4 1171 1 1 13 TYR OH O -4.062 1.657 5.840 1.00 . A A . 13 TYR OH 1 1 4 1172 1 1 14 PHE C C 3.890 -1.888 -0.463 1.00 . A A . 14 PHE C 1 1 4 1173 1 1 14 PHE CA C 2.687 -2.733 -0.034 1.00 . A A . 14 PHE CA 1 1 4 1174 1 1 14 PHE CB C 2.037 -3.374 -1.259 1.00 . A A . 14 PHE CB 1 1 4 1175 1 1 14 PHE CD1 C 0.551 -4.455 0.467 1.00 . A A . 14 PHE CD1 1 1 4 1176 1 1 14 PHE CD2 C -0.312 -4.133 -1.776 1.00 . A A . 14 PHE CD2 1 1 4 1177 1 1 14 PHE CE1 C -0.662 -5.037 0.852 1.00 . A A . 14 PHE CE1 1 1 4 1178 1 1 14 PHE CE2 C -1.525 -4.717 -1.391 1.00 . A A . 14 PHE CE2 1 1 4 1179 1 1 14 PHE CG C 0.727 -4.002 -0.847 1.00 . A A . 14 PHE CG 1 1 4 1180 1 1 14 PHE CZ C -1.699 -5.168 -0.077 1.00 . A A . 14 PHE CZ 1 1 4 1181 1 1 14 PHE H H 0.787 -1.766 0.276 1.00 . A A . 14 PHE H 1 1 4 1182 1 1 14 PHE HA H 3.018 -3.508 0.639 1.00 . A A . 14 PHE HA 1 1 4 1183 1 1 14 PHE HB2 H 1.856 -2.618 -2.010 1.00 . A A . 14 PHE HB2 1 1 4 1184 1 1 14 PHE HB3 H 2.690 -4.133 -1.660 1.00 . A A . 14 PHE HB3 1 1 4 1185 1 1 14 PHE HD1 H 1.352 -4.353 1.185 1.00 . A A . 14 PHE HD1 1 1 4 1186 1 1 14 PHE HD2 H -0.177 -3.785 -2.790 1.00 . A A . 14 PHE HD2 1 1 4 1187 1 1 14 PHE HE1 H -0.797 -5.385 1.865 1.00 . A A . 14 PHE HE1 1 1 4 1188 1 1 14 PHE HE2 H -2.326 -4.817 -2.107 1.00 . A A . 14 PHE HE2 1 1 4 1189 1 1 14 PHE HZ H -2.636 -5.617 0.220 1.00 . A A . 14 PHE HZ 1 1 4 1190 1 1 14 PHE N N 1.679 -1.886 0.664 1.00 . A A . 14 PHE N 1 1 4 1191 1 1 14 PHE O O 5.001 -2.373 -0.535 1.00 . A A . 14 PHE O 1 1 4 1192 1 1 15 CYS C C 5.595 0.742 0.054 1.00 . A A . 15 CYS C 1 1 4 1193 1 1 15 CYS CA C 4.825 0.231 -1.172 1.00 . A A . 15 CYS CA 1 1 4 1194 1 1 15 CYS CB C 4.291 1.424 -1.968 1.00 . A A . 15 CYS CB 1 1 4 1195 1 1 15 CYS H H 2.781 -0.258 -0.692 1.00 . A A . 15 CYS H 1 1 4 1196 1 1 15 CYS HA H 5.491 -0.342 -1.798 1.00 . A A . 15 CYS HA 1 1 4 1197 1 1 15 CYS HB2 H 3.216 1.356 -2.039 1.00 . A A . 15 CYS HB2 1 1 4 1198 1 1 15 CYS HB3 H 4.559 2.342 -1.466 1.00 . A A . 15 CYS HB3 1 1 4 1199 1 1 15 CYS N N 3.683 -0.632 -0.748 1.00 . A A . 15 CYS N 1 1 4 1200 1 1 15 CYS O O 6.270 1.750 -0.010 1.00 . A A . 15 CYS O 1 1 4 1201 1 1 15 CYS SG S 5.005 1.414 -3.631 1.00 . A A . 15 CYS SG 1 1 4 1202 1 1 16 HIS C C 5.511 1.685 3.039 1.00 . A A . 16 HIS C 1 1 4 1203 1 1 16 HIS CA C 6.249 0.511 2.385 1.00 . A A . 16 HIS CA 1 1 4 1204 1 1 16 HIS CB C 7.658 0.957 1.988 1.00 . A A . 16 HIS CB 1 1 4 1205 1 1 16 HIS CD2 C 8.816 0.273 -0.270 1.00 . A A . 16 HIS CD2 1 1 4 1206 1 1 16 HIS CE1 C 8.697 -1.879 -0.044 1.00 . A A . 16 HIS CE1 1 1 4 1207 1 1 16 HIS CG C 8.198 0.032 0.933 1.00 . A A . 16 HIS CG 1 1 4 1208 1 1 16 HIS H H 4.967 -0.753 1.207 1.00 . A A . 16 HIS H 1 1 4 1209 1 1 16 HIS HA H 6.320 -0.308 3.086 1.00 . A A . 16 HIS HA 1 1 4 1210 1 1 16 HIS HB2 H 7.620 1.964 1.599 1.00 . A A . 16 HIS HB2 1 1 4 1211 1 1 16 HIS HB3 H 8.302 0.929 2.854 1.00 . A A . 16 HIS HB3 1 1 4 1212 1 1 16 HIS HD1 H 7.748 -1.845 1.806 1.00 . A A . 16 HIS HD1 1 1 4 1213 1 1 16 HIS HD2 H 9.025 1.251 -0.676 1.00 . A A . 16 HIS HD2 1 1 4 1214 1 1 16 HIS HE1 H 8.790 -2.940 -0.226 1.00 . A A . 16 HIS HE1 1 1 4 1215 1 1 16 HIS N N 5.510 0.059 1.170 1.00 . A A . 16 HIS N 1 1 4 1216 1 1 16 HIS ND1 N 8.134 -1.347 1.056 1.00 . A A . 16 HIS ND1 1 1 4 1217 1 1 16 HIS NE2 N 9.130 -0.935 -0.885 1.00 . A A . 16 HIS NE2 1 1 4 1218 1 1 16 HIS O O 6.120 2.637 3.484 1.00 . A A . 16 HIS O 1 1 4 1219 1 1 17 LEU C C 2.872 2.309 5.058 1.00 . A A . 17 LEU C 1 1 4 1220 1 1 17 LEU CA C 3.443 2.744 3.705 1.00 . A A . 17 LEU CA 1 1 4 1221 1 1 17 LEU CB C 2.298 3.105 2.771 1.00 . A A . 17 LEU CB 1 1 4 1222 1 1 17 LEU CD1 C 3.975 4.680 1.771 1.00 . A A . 17 LEU CD1 1 1 4 1223 1 1 17 LEU CD2 C 3.383 2.569 0.580 1.00 . A A . 17 LEU CD2 1 1 4 1224 1 1 17 LEU CG C 2.846 3.695 1.465 1.00 . A A . 17 LEU CG 1 1 4 1225 1 1 17 LEU H H 3.723 0.872 2.725 1.00 . A A . 17 LEU H 1 1 4 1226 1 1 17 LEU HA H 4.086 3.601 3.839 1.00 . A A . 17 LEU HA 1 1 4 1227 1 1 17 LEU HB2 H 1.723 2.220 2.556 1.00 . A A . 17 LEU HB2 1 1 4 1228 1 1 17 LEU HB3 H 1.673 3.819 3.251 1.00 . A A . 17 LEU HB3 1 1 4 1229 1 1 17 LEU HD11 H 4.171 5.286 0.899 1.00 . A A . 17 LEU HD11 1 1 4 1230 1 1 17 LEU HD12 H 4.867 4.133 2.037 1.00 . A A . 17 LEU HD12 1 1 4 1231 1 1 17 LEU HD13 H 3.684 5.317 2.594 1.00 . A A . 17 LEU HD13 1 1 4 1232 1 1 17 LEU HD21 H 4.427 2.746 0.365 1.00 . A A . 17 LEU HD21 1 1 4 1233 1 1 17 LEU HD22 H 2.826 2.539 -0.344 1.00 . A A . 17 LEU HD22 1 1 4 1234 1 1 17 LEU HD23 H 3.277 1.625 1.092 1.00 . A A . 17 LEU HD23 1 1 4 1235 1 1 17 LEU HG H 2.053 4.213 0.947 1.00 . A A . 17 LEU HG 1 1 4 1236 1 1 17 LEU N N 4.205 1.633 3.095 1.00 . A A . 17 LEU N 1 1 4 1237 1 1 17 LEU O O 1.672 2.260 5.247 1.00 . A A . 17 LEU O 1 1 4 1238 1 1 18 ASP C C 2.019 0.663 7.204 1.00 . A A . 18 ASP C 1 1 4 1239 1 1 18 ASP CA C 3.240 1.578 7.346 1.00 . A A . 18 ASP CA 1 1 4 1240 1 1 18 ASP CB C 2.854 2.818 8.156 1.00 . A A . 18 ASP CB 1 1 4 1241 1 1 18 ASP CG C 2.090 2.394 9.413 1.00 . A A . 18 ASP CG 1 1 4 1242 1 1 18 ASP H H 4.680 2.060 5.821 1.00 . A A . 18 ASP H 1 1 4 1243 1 1 18 ASP HA H 4.029 1.049 7.860 1.00 . A A . 18 ASP HA 1 1 4 1244 1 1 18 ASP HB2 H 3.748 3.354 8.441 1.00 . A A . 18 ASP HB2 1 1 4 1245 1 1 18 ASP HB3 H 2.227 3.459 7.555 1.00 . A A . 18 ASP HB3 1 1 4 1246 1 1 18 ASP N N 3.722 2.003 5.999 1.00 . A A . 18 ASP N 1 1 4 1247 1 1 18 ASP O O 0.899 1.072 7.437 1.00 . A A . 18 ASP O 1 1 4 1248 1 1 18 ASP OD1 O 2.729 1.917 10.336 1.00 . A A . 18 ASP OD1 1 1 4 1249 1 1 18 ASP OD2 O 0.882 2.553 9.429 1.00 . A A . 18 ASP OD2 1 1 4 1250 1 1 19 ILE C C 0.357 -1.650 8.026 1.00 . A A . 19 ILE C 1 1 4 1251 1 1 19 ILE CA C 1.062 -1.496 6.673 1.00 . A A . 19 ILE CA 1 1 4 1252 1 1 19 ILE CB C 1.561 -2.867 6.181 1.00 . A A . 19 ILE CB 1 1 4 1253 1 1 19 ILE CD1 C 2.432 -5.108 6.877 1.00 . A A . 19 ILE CD1 1 1 4 1254 1 1 19 ILE CG1 C 2.050 -3.712 7.365 1.00 . A A . 19 ILE CG1 1 1 4 1255 1 1 19 ILE CG2 C 2.715 -2.670 5.198 1.00 . A A . 19 ILE CG2 1 1 4 1256 1 1 19 ILE H H 3.126 -0.891 6.640 1.00 . A A . 19 ILE H 1 1 4 1257 1 1 19 ILE HA H 0.369 -1.087 5.954 1.00 . A A . 19 ILE HA 1 1 4 1258 1 1 19 ILE HB H 0.756 -3.380 5.681 1.00 . A A . 19 ILE HB 1 1 4 1259 1 1 19 ILE HD11 H 2.795 -5.692 7.710 1.00 . A A . 19 ILE HD11 1 1 4 1260 1 1 19 ILE HD12 H 3.206 -5.028 6.128 1.00 . A A . 19 ILE HD12 1 1 4 1261 1 1 19 ILE HD13 H 1.565 -5.589 6.451 1.00 . A A . 19 ILE HD13 1 1 4 1262 1 1 19 ILE HG12 H 2.910 -3.238 7.814 1.00 . A A . 19 ILE HG12 1 1 4 1263 1 1 19 ILE HG13 H 1.261 -3.796 8.097 1.00 . A A . 19 ILE HG13 1 1 4 1264 1 1 19 ILE HG21 H 2.795 -1.624 4.941 1.00 . A A . 19 ILE HG21 1 1 4 1265 1 1 19 ILE HG22 H 2.530 -3.248 4.305 1.00 . A A . 19 ILE HG22 1 1 4 1266 1 1 19 ILE HG23 H 3.637 -3.000 5.655 1.00 . A A . 19 ILE HG23 1 1 4 1267 1 1 19 ILE N N 2.219 -0.571 6.824 1.00 . A A . 19 ILE N 1 1 4 1268 1 1 19 ILE O O 0.974 -1.961 9.024 1.00 . A A . 19 ILE O 1 1 4 1269 1 1 20 ILE C C -2.651 -2.728 9.280 1.00 . A A . 20 ILE C 1 1 4 1270 1 1 20 ILE CA C -1.647 -1.581 9.371 1.00 . A A . 20 ILE CA 1 1 4 1271 1 1 20 ILE CB C -2.379 -0.281 9.703 1.00 . A A . 20 ILE CB 1 1 4 1272 1 1 20 ILE CD1 C -0.410 0.224 11.164 1.00 . A A . 20 ILE CD1 1 1 4 1273 1 1 20 ILE CG1 C -1.360 0.787 10.104 1.00 . A A . 20 ILE CG1 1 1 4 1274 1 1 20 ILE CG2 C -3.347 -0.519 10.863 1.00 . A A . 20 ILE CG2 1 1 4 1275 1 1 20 ILE H H -1.420 -1.177 7.257 1.00 . A A . 20 ILE H 1 1 4 1276 1 1 20 ILE HA H -0.932 -1.801 10.151 1.00 . A A . 20 ILE HA 1 1 4 1277 1 1 20 ILE HB H -2.931 0.052 8.836 1.00 . A A . 20 ILE HB 1 1 4 1278 1 1 20 ILE HD11 H -0.116 1.013 11.839 1.00 . A A . 20 ILE HD11 1 1 4 1279 1 1 20 ILE HD12 H 0.465 -0.183 10.680 1.00 . A A . 20 ILE HD12 1 1 4 1280 1 1 20 ILE HD13 H -0.912 -0.556 11.717 1.00 . A A . 20 ILE HD13 1 1 4 1281 1 1 20 ILE HG12 H -0.794 1.091 9.236 1.00 . A A . 20 ILE HG12 1 1 4 1282 1 1 20 ILE HG13 H -1.881 1.638 10.511 1.00 . A A . 20 ILE HG13 1 1 4 1283 1 1 20 ILE HG21 H -3.055 -1.411 11.398 1.00 . A A . 20 ILE HG21 1 1 4 1284 1 1 20 ILE HG22 H -4.348 -0.643 10.477 1.00 . A A . 20 ILE HG22 1 1 4 1285 1 1 20 ILE HG23 H -3.322 0.327 11.533 1.00 . A A . 20 ILE HG23 1 1 4 1286 1 1 20 ILE N N -0.929 -1.435 8.072 1.00 . A A . 20 ILE N 1 1 4 1287 1 1 20 ILE O O -3.836 -2.520 9.115 1.00 . A A . 20 ILE O 1 1 4 1288 1 1 21 TRP C C -4.216 -4.946 10.365 1.00 . A A . 21 TRP C 1 1 4 1289 1 1 21 TRP CA C -3.115 -5.103 9.315 1.00 . A A . 21 TRP CA 1 1 4 1290 1 1 21 TRP CB C -2.374 -6.431 9.554 1.00 . A A . 21 TRP CB 1 1 4 1291 1 1 21 TRP CD1 C -0.034 -7.032 10.286 1.00 . A A . 21 TRP CD1 1 1 4 1292 1 1 21 TRP CD2 C -0.827 -5.250 11.409 1.00 . A A . 21 TRP CD2 1 1 4 1293 1 1 21 TRP CE2 C 0.480 -5.492 11.896 1.00 . A A . 21 TRP CE2 1 1 4 1294 1 1 21 TRP CE3 C -1.545 -4.172 11.958 1.00 . A A . 21 TRP CE3 1 1 4 1295 1 1 21 TRP CG C -1.130 -6.242 10.376 1.00 . A A . 21 TRP CG 1 1 4 1296 1 1 21 TRP CH2 C 0.321 -3.635 13.426 1.00 . A A . 21 TRP CH2 1 1 4 1297 1 1 21 TRP CZ2 C 1.050 -4.699 12.892 1.00 . A A . 21 TRP CZ2 1 1 4 1298 1 1 21 TRP CZ3 C -0.974 -3.373 12.961 1.00 . A A . 21 TRP CZ3 1 1 4 1299 1 1 21 TRP H H -1.224 -4.079 9.523 1.00 . A A . 21 TRP H 1 1 4 1300 1 1 21 TRP HA H -3.567 -5.124 8.334 1.00 . A A . 21 TRP HA 1 1 4 1301 1 1 21 TRP HB2 H -3.032 -7.112 10.070 1.00 . A A . 21 TRP HB2 1 1 4 1302 1 1 21 TRP HB3 H -2.105 -6.858 8.599 1.00 . A A . 21 TRP HB3 1 1 4 1303 1 1 21 TRP HD1 H 0.078 -7.873 9.619 1.00 . A A . 21 TRP HD1 1 1 4 1304 1 1 21 TRP HE1 H 1.805 -6.986 11.309 1.00 . A A . 21 TRP HE1 1 1 4 1305 1 1 21 TRP HE3 H -2.539 -3.959 11.606 1.00 . A A . 21 TRP HE3 1 1 4 1306 1 1 21 TRP HH2 H 0.755 -3.016 14.198 1.00 . A A . 21 TRP HH2 1 1 4 1307 1 1 21 TRP HZ2 H 2.050 -4.907 13.245 1.00 . A A . 21 TRP HZ2 1 1 4 1308 1 1 21 TRP HZ3 H -1.537 -2.549 13.376 1.00 . A A . 21 TRP HZ3 1 1 4 1309 1 1 21 TRP N N -2.183 -3.940 9.391 1.00 . A A . 21 TRP N 1 1 4 1310 1 1 21 TRP NE1 N 0.920 -6.587 11.182 1.00 . A A . 21 TRP NE1 1 1 4 1311 1 1 21 TRP O O -4.091 -5.546 11.421 1.00 . A A . 21 TRP O 1 1 4 1312 1 1 21 TRP OXT O -5.166 -4.230 10.096 1.00 . A A . 21 TRP OXT 1 1 5 1313 1 1 1 CYS C C 6.138 -2.095 -5.307 1.00 . A A . 1 CYS C 1 1 5 1314 1 1 1 CYS CA C 6.854 -1.695 -4.015 1.00 . A A . 1 CYS CA 1 1 5 1315 1 1 1 CYS CB C 7.686 -0.435 -4.265 1.00 . A A . 1 CYS CB 1 1 5 1316 1 1 1 CYS H1 H 7.937 -2.719 -2.561 1.00 . A A . 1 CYS H1 1 1 5 1317 1 1 1 CYS H2 H 8.647 -2.749 -4.105 1.00 . A A . 1 CYS H2 1 1 5 1318 1 1 1 CYS H3 H 7.291 -3.717 -3.772 1.00 . A A . 1 CYS H3 1 1 5 1319 1 1 1 CYS HA H 6.124 -1.499 -3.245 1.00 . A A . 1 CYS HA 1 1 5 1320 1 1 1 CYS HB2 H 8.708 -0.615 -3.969 1.00 . A A . 1 CYS HB2 1 1 5 1321 1 1 1 CYS HB3 H 7.653 -0.185 -5.315 1.00 . A A . 1 CYS HB3 1 1 5 1322 1 1 1 CYS N N 7.749 -2.803 -3.581 1.00 . A A . 1 CYS N 1 1 5 1323 1 1 1 CYS O O 6.721 -2.108 -6.372 1.00 . A A . 1 CYS O 1 1 5 1324 1 1 1 CYS SG S 7.011 0.938 -3.297 1.00 . A A . 1 CYS SG 1 1 5 1325 1 1 2 SER C C 2.626 -2.811 -6.162 1.00 . A A . 2 SER C 1 1 5 1326 1 1 2 SER CA C 4.130 -2.821 -6.448 1.00 . A A . 2 SER CA 1 1 5 1327 1 1 2 SER CB C 4.559 -4.224 -6.871 1.00 . A A . 2 SER CB 1 1 5 1328 1 1 2 SER H H 4.423 -2.406 -4.353 1.00 . A A . 2 SER H 1 1 5 1329 1 1 2 SER HA H 4.349 -2.123 -7.243 1.00 . A A . 2 SER HA 1 1 5 1330 1 1 2 SER HB2 H 3.815 -4.649 -7.525 1.00 . A A . 2 SER HB2 1 1 5 1331 1 1 2 SER HB3 H 5.504 -4.169 -7.395 1.00 . A A . 2 SER HB3 1 1 5 1332 1 1 2 SER HG H 3.905 -5.594 -5.653 1.00 . A A . 2 SER HG 1 1 5 1333 1 1 2 SER N N 4.877 -2.422 -5.222 1.00 . A A . 2 SER N 1 1 5 1334 1 1 2 SER O O 2.068 -3.783 -5.694 1.00 . A A . 2 SER O 1 1 5 1335 1 1 2 SER OG O 4.690 -5.044 -5.716 1.00 . A A . 2 SER OG 1 1 5 1336 1 1 3 CYS C C -0.184 -1.041 -7.433 1.00 . A A . 3 CYS C 1 1 5 1337 1 1 3 CYS CA C 0.499 -1.652 -6.202 1.00 . A A . 3 CYS CA 1 1 5 1338 1 1 3 CYS CB C 0.229 -0.783 -4.963 1.00 . A A . 3 CYS CB 1 1 5 1339 1 1 3 CYS H H 2.435 -0.952 -6.831 1.00 . A A . 3 CYS H 1 1 5 1340 1 1 3 CYS HA H 0.119 -2.650 -6.034 1.00 . A A . 3 CYS HA 1 1 5 1341 1 1 3 CYS HB2 H 0.442 -1.354 -4.073 1.00 . A A . 3 CYS HB2 1 1 5 1342 1 1 3 CYS HB3 H 0.866 0.089 -4.990 1.00 . A A . 3 CYS HB3 1 1 5 1343 1 1 3 CYS N N 1.966 -1.722 -6.449 1.00 . A A . 3 CYS N 1 1 5 1344 1 1 3 CYS O O 0.449 -0.400 -8.248 1.00 . A A . 3 CYS O 1 1 5 1345 1 1 3 CYS SG S -1.505 -0.262 -4.923 1.00 . A A . 3 CYS SG 1 1 5 1346 1 1 4 SER C C -2.013 0.864 -8.738 1.00 . A A . 4 SER C 1 1 5 1347 1 1 4 SER CA C -2.182 -0.654 -8.747 1.00 . A A . 4 SER CA 1 1 5 1348 1 1 4 SER CB C -3.668 -1.004 -8.665 1.00 . A A . 4 SER CB 1 1 5 1349 1 1 4 SER H H -1.964 -1.746 -6.902 1.00 . A A . 4 SER H 1 1 5 1350 1 1 4 SER HA H -1.765 -1.056 -9.654 1.00 . A A . 4 SER HA 1 1 5 1351 1 1 4 SER HB2 H -3.824 -2.007 -9.029 1.00 . A A . 4 SER HB2 1 1 5 1352 1 1 4 SER HB3 H -3.996 -0.941 -7.636 1.00 . A A . 4 SER HB3 1 1 5 1353 1 1 4 SER HG H -3.955 -0.004 -10.309 1.00 . A A . 4 SER HG 1 1 5 1354 1 1 4 SER N N -1.469 -1.231 -7.573 1.00 . A A . 4 SER N 1 1 5 1355 1 1 4 SER O O -1.516 1.452 -9.678 1.00 . A A . 4 SER O 1 1 5 1356 1 1 4 SER OG O -4.409 -0.095 -9.468 1.00 . A A . 4 SER OG 1 1 5 1357 1 1 5 SER C C -1.716 3.338 -6.200 1.00 . A A . 5 SER C 1 1 5 1358 1 1 5 SER CA C -2.272 2.978 -7.588 1.00 . A A . 5 SER CA 1 1 5 1359 1 1 5 SER CB C -3.640 3.635 -7.801 1.00 . A A . 5 SER CB 1 1 5 1360 1 1 5 SER H H -2.803 1.000 -6.928 1.00 . A A . 5 SER H 1 1 5 1361 1 1 5 SER HA H -1.588 3.312 -8.357 1.00 . A A . 5 SER HA 1 1 5 1362 1 1 5 SER HB2 H -3.610 4.256 -8.680 1.00 . A A . 5 SER HB2 1 1 5 1363 1 1 5 SER HB3 H -4.390 2.865 -7.936 1.00 . A A . 5 SER HB3 1 1 5 1364 1 1 5 SER HG H -4.357 5.254 -6.992 1.00 . A A . 5 SER HG 1 1 5 1365 1 1 5 SER N N -2.414 1.500 -7.675 1.00 . A A . 5 SER N 1 1 5 1366 1 1 5 SER O O -2.309 3.026 -5.187 1.00 . A A . 5 SER O 1 1 5 1367 1 1 5 SER OG O -3.965 4.439 -6.672 1.00 . A A . 5 SER OG 1 1 5 1368 1 1 6 LEU C C -0.927 5.154 -3.961 1.00 . A A . 6 LEU C 1 1 5 1369 1 1 6 LEU CA C 0.037 4.314 -4.819 1.00 . A A . 6 LEU CA 1 1 5 1370 1 1 6 LEU CB C 1.337 5.098 -5.038 1.00 . A A . 6 LEU CB 1 1 5 1371 1 1 6 LEU CD1 C 2.488 3.240 -6.254 1.00 . A A . 6 LEU CD1 1 1 5 1372 1 1 6 LEU CD2 C 3.828 4.918 -4.977 1.00 . A A . 6 LEU CD2 1 1 5 1373 1 1 6 LEU CG C 2.518 4.128 -5.009 1.00 . A A . 6 LEU CG 1 1 5 1374 1 1 6 LEU H H -0.094 4.189 -6.971 1.00 . A A . 6 LEU H 1 1 5 1375 1 1 6 LEU HA H 0.273 3.399 -4.293 1.00 . A A . 6 LEU HA 1 1 5 1376 1 1 6 LEU HB2 H 1.308 5.606 -5.991 1.00 . A A . 6 LEU HB2 1 1 5 1377 1 1 6 LEU HB3 H 1.453 5.825 -4.248 1.00 . A A . 6 LEU HB3 1 1 5 1378 1 1 6 LEU HD11 H 1.482 2.881 -6.418 1.00 . A A . 6 LEU HD11 1 1 5 1379 1 1 6 LEU HD12 H 3.151 2.399 -6.113 1.00 . A A . 6 LEU HD12 1 1 5 1380 1 1 6 LEU HD13 H 2.810 3.811 -7.113 1.00 . A A . 6 LEU HD13 1 1 5 1381 1 1 6 LEU HD21 H 4.484 4.498 -4.230 1.00 . A A . 6 LEU HD21 1 1 5 1382 1 1 6 LEU HD22 H 3.620 5.950 -4.733 1.00 . A A . 6 LEU HD22 1 1 5 1383 1 1 6 LEU HD23 H 4.304 4.865 -5.944 1.00 . A A . 6 LEU HD23 1 1 5 1384 1 1 6 LEU HG H 2.447 3.508 -4.129 1.00 . A A . 6 LEU HG 1 1 5 1385 1 1 6 LEU N N -0.569 3.967 -6.144 1.00 . A A . 6 LEU N 1 1 5 1386 1 1 6 LEU O O -0.722 5.305 -2.772 1.00 . A A . 6 LEU O 1 1 5 1387 1 1 7 MET C C -3.973 5.664 -3.061 1.00 . A A . 7 MET C 1 1 5 1388 1 1 7 MET CA C -2.900 6.546 -3.718 1.00 . A A . 7 MET CA 1 1 5 1389 1 1 7 MET CB C -3.573 7.585 -4.620 1.00 . A A . 7 MET CB 1 1 5 1390 1 1 7 MET CE C -5.929 10.526 -2.991 1.00 . A A . 7 MET CE 1 1 5 1391 1 1 7 MET CG C -4.724 8.254 -3.865 1.00 . A A . 7 MET CG 1 1 5 1392 1 1 7 MET H H -2.119 5.602 -5.490 1.00 . A A . 7 MET H 1 1 5 1393 1 1 7 MET HA H -2.341 7.054 -2.948 1.00 . A A . 7 MET HA 1 1 5 1394 1 1 7 MET HB2 H -2.848 8.335 -4.905 1.00 . A A . 7 MET HB2 1 1 5 1395 1 1 7 MET HB3 H -3.958 7.103 -5.506 1.00 . A A . 7 MET HB3 1 1 5 1396 1 1 7 MET HE1 H -5.359 10.863 -2.136 1.00 . A A . 7 MET HE1 1 1 5 1397 1 1 7 MET HE2 H -6.548 9.692 -2.701 1.00 . A A . 7 MET HE2 1 1 5 1398 1 1 7 MET HE3 H -6.555 11.328 -3.355 1.00 . A A . 7 MET HE3 1 1 5 1399 1 1 7 MET HG2 H -5.657 7.779 -4.135 1.00 . A A . 7 MET HG2 1 1 5 1400 1 1 7 MET HG3 H -4.566 8.155 -2.801 1.00 . A A . 7 MET HG3 1 1 5 1401 1 1 7 MET N N -1.963 5.714 -4.533 1.00 . A A . 7 MET N 1 1 5 1402 1 1 7 MET O O -4.765 6.133 -2.268 1.00 . A A . 7 MET O 1 1 5 1403 1 1 7 MET SD S -4.794 10.009 -4.303 1.00 . A A . 7 MET SD 1 1 5 1404 1 1 8 ASP C C -4.891 3.533 -1.233 1.00 . A A . 8 ASP C 1 1 5 1405 1 1 8 ASP CA C -5.043 3.509 -2.757 1.00 . A A . 8 ASP CA 1 1 5 1406 1 1 8 ASP CB C -4.866 2.071 -3.258 1.00 . A A . 8 ASP CB 1 1 5 1407 1 1 8 ASP CG C -6.228 1.377 -3.305 1.00 . A A . 8 ASP CG 1 1 5 1408 1 1 8 ASP H H -3.371 4.031 -4.016 1.00 . A A . 8 ASP H 1 1 5 1409 1 1 8 ASP HA H -6.028 3.863 -3.024 1.00 . A A . 8 ASP HA 1 1 5 1410 1 1 8 ASP HB2 H -4.435 2.080 -4.247 1.00 . A A . 8 ASP HB2 1 1 5 1411 1 1 8 ASP HB3 H -4.215 1.533 -2.586 1.00 . A A . 8 ASP HB3 1 1 5 1412 1 1 8 ASP N N -4.012 4.397 -3.377 1.00 . A A . 8 ASP N 1 1 5 1413 1 1 8 ASP O O -4.323 4.447 -0.669 1.00 . A A . 8 ASP O 1 1 5 1414 1 1 8 ASP OD1 O -7.178 2.006 -3.743 1.00 . A A . 8 ASP OD1 1 1 5 1415 1 1 8 ASP OD2 O -6.300 0.226 -2.903 1.00 . A A . 8 ASP OD2 1 1 5 1416 1 1 9 LYS C C -4.544 1.218 1.368 1.00 . A A . 9 LYS C 1 1 5 1417 1 1 9 LYS CA C -5.286 2.495 0.926 1.00 . A A . 9 LYS CA 1 1 5 1418 1 1 9 LYS CB C -6.689 2.542 1.553 1.00 . A A . 9 LYS CB 1 1 5 1419 1 1 9 LYS CD C -6.994 5.021 1.190 1.00 . A A . 9 LYS CD 1 1 5 1420 1 1 9 LYS CE C -6.646 5.109 2.678 1.00 . A A . 9 LYS CE 1 1 5 1421 1 1 9 LYS CG C -7.539 3.625 0.862 1.00 . A A . 9 LYS CG 1 1 5 1422 1 1 9 LYS H H -5.850 1.810 -1.043 1.00 . A A . 9 LYS H 1 1 5 1423 1 1 9 LYS HA H -4.719 3.351 1.258 1.00 . A A . 9 LYS HA 1 1 5 1424 1 1 9 LYS HB2 H -7.167 1.582 1.433 1.00 . A A . 9 LYS HB2 1 1 5 1425 1 1 9 LYS HB3 H -6.605 2.771 2.603 1.00 . A A . 9 LYS HB3 1 1 5 1426 1 1 9 LYS HD2 H -6.110 5.212 0.599 1.00 . A A . 9 LYS HD2 1 1 5 1427 1 1 9 LYS HD3 H -7.747 5.762 0.955 1.00 . A A . 9 LYS HD3 1 1 5 1428 1 1 9 LYS HE2 H -6.847 6.108 3.035 1.00 . A A . 9 LYS HE2 1 1 5 1429 1 1 9 LYS HE3 H -7.248 4.402 3.231 1.00 . A A . 9 LYS HE3 1 1 5 1430 1 1 9 LYS HG2 H -7.511 3.473 -0.208 1.00 . A A . 9 LYS HG2 1 1 5 1431 1 1 9 LYS HG3 H -8.563 3.557 1.205 1.00 . A A . 9 LYS HG3 1 1 5 1432 1 1 9 LYS HZ1 H -4.838 5.324 3.687 1.00 . A A . 9 LYS HZ1 1 1 5 1433 1 1 9 LYS HZ2 H -4.672 5.063 2.017 1.00 . A A . 9 LYS HZ2 1 1 5 1434 1 1 9 LYS HZ3 H -5.090 3.775 3.045 1.00 . A A . 9 LYS HZ3 1 1 5 1435 1 1 9 LYS N N -5.397 2.533 -0.564 1.00 . A A . 9 LYS N 1 1 5 1436 1 1 9 LYS NZ N -5.202 4.793 2.872 1.00 . A A . 9 LYS NZ 1 1 5 1437 1 1 9 LYS O O -3.383 1.269 1.721 1.00 . A A . 9 LYS O 1 1 5 1438 1 1 10 GLU C C -3.491 -1.577 0.690 1.00 . A A . 10 GLU C 1 1 5 1439 1 1 10 GLU CA C -4.476 -1.168 1.781 1.00 . A A . 10 GLU CA 1 1 5 1440 1 1 10 GLU CB C -5.488 -2.295 2.001 1.00 . A A . 10 GLU CB 1 1 5 1441 1 1 10 GLU CD C -7.641 -2.810 3.155 1.00 . A A . 10 GLU CD 1 1 5 1442 1 1 10 GLU CG C -6.805 -1.708 2.505 1.00 . A A . 10 GLU CG 1 1 5 1443 1 1 10 GLU H H -6.116 0.028 1.077 1.00 . A A . 10 GLU H 1 1 5 1444 1 1 10 GLU HA H -3.940 -0.978 2.697 1.00 . A A . 10 GLU HA 1 1 5 1445 1 1 10 GLU HB2 H -5.658 -2.814 1.068 1.00 . A A . 10 GLU HB2 1 1 5 1446 1 1 10 GLU HB3 H -5.101 -2.988 2.733 1.00 . A A . 10 GLU HB3 1 1 5 1447 1 1 10 GLU HG2 H -6.597 -0.935 3.231 1.00 . A A . 10 GLU HG2 1 1 5 1448 1 1 10 GLU HG3 H -7.350 -1.287 1.675 1.00 . A A . 10 GLU HG3 1 1 5 1449 1 1 10 GLU N N -5.184 0.074 1.358 1.00 . A A . 10 GLU N 1 1 5 1450 1 1 10 GLU O O -2.441 -2.128 0.961 1.00 . A A . 10 GLU O 1 1 5 1451 1 1 10 GLU OE1 O -7.179 -3.381 4.131 1.00 . A A . 10 GLU OE1 1 1 5 1452 1 1 10 GLU OE2 O -8.731 -3.066 2.668 1.00 . A A . 10 GLU OE2 1 1 5 1453 1 1 11 CYS C C -1.629 -0.781 -1.486 1.00 . A A . 11 CYS C 1 1 5 1454 1 1 11 CYS CA C -2.878 -1.640 -1.646 1.00 . A A . 11 CYS CA 1 1 5 1455 1 1 11 CYS CB C -3.552 -1.342 -2.988 1.00 . A A . 11 CYS CB 1 1 5 1456 1 1 11 CYS H H -4.646 -0.828 -0.735 1.00 . A A . 11 CYS H 1 1 5 1457 1 1 11 CYS HA H -2.615 -2.684 -1.588 1.00 . A A . 11 CYS HA 1 1 5 1458 1 1 11 CYS HB2 H -4.504 -1.850 -3.033 1.00 . A A . 11 CYS HB2 1 1 5 1459 1 1 11 CYS HB3 H -3.708 -0.278 -3.083 1.00 . A A . 11 CYS HB3 1 1 5 1460 1 1 11 CYS N N -3.809 -1.291 -0.541 1.00 . A A . 11 CYS N 1 1 5 1461 1 1 11 CYS O O -0.573 -1.079 -2.005 1.00 . A A . 11 CYS O 1 1 5 1462 1 1 11 CYS SG S -2.497 -1.919 -4.337 1.00 . A A . 11 CYS SG 1 1 5 1463 1 1 12 VAL C C 0.313 0.600 0.544 1.00 . A A . 12 VAL C 1 1 5 1464 1 1 12 VAL CA C -0.616 1.201 -0.520 1.00 . A A . 12 VAL CA 1 1 5 1465 1 1 12 VAL CB C -1.177 2.542 -0.044 1.00 . A A . 12 VAL CB 1 1 5 1466 1 1 12 VAL CG1 C -0.117 3.324 0.717 1.00 . A A . 12 VAL CG1 1 1 5 1467 1 1 12 VAL CG2 C -1.633 3.346 -1.257 1.00 . A A . 12 VAL CG2 1 1 5 1468 1 1 12 VAL H H -2.629 0.497 -0.352 1.00 . A A . 12 VAL H 1 1 5 1469 1 1 12 VAL HA H -0.071 1.343 -1.438 1.00 . A A . 12 VAL HA 1 1 5 1470 1 1 12 VAL HB H -2.020 2.370 0.606 1.00 . A A . 12 VAL HB 1 1 5 1471 1 1 12 VAL HG11 H 0.849 2.878 0.542 1.00 . A A . 12 VAL HG11 1 1 5 1472 1 1 12 VAL HG12 H -0.344 3.295 1.773 1.00 . A A . 12 VAL HG12 1 1 5 1473 1 1 12 VAL HG13 H -0.114 4.346 0.375 1.00 . A A . 12 VAL HG13 1 1 5 1474 1 1 12 VAL HG21 H -2.563 2.940 -1.626 1.00 . A A . 12 VAL HG21 1 1 5 1475 1 1 12 VAL HG22 H -0.880 3.285 -2.029 1.00 . A A . 12 VAL HG22 1 1 5 1476 1 1 12 VAL HG23 H -1.776 4.376 -0.972 1.00 . A A . 12 VAL HG23 1 1 5 1477 1 1 12 VAL N N -1.761 0.289 -0.754 1.00 . A A . 12 VAL N 1 1 5 1478 1 1 12 VAL O O 1.512 0.787 0.512 1.00 . A A . 12 VAL O 1 1 5 1479 1 1 13 TYR C C 1.632 -1.664 1.932 1.00 . A A . 13 TYR C 1 1 5 1480 1 1 13 TYR CA C 0.605 -0.723 2.554 1.00 . A A . 13 TYR CA 1 1 5 1481 1 1 13 TYR CB C -0.294 -1.518 3.502 1.00 . A A . 13 TYR CB 1 1 5 1482 1 1 13 TYR CD1 C -1.049 0.813 4.143 1.00 . A A . 13 TYR CD1 1 1 5 1483 1 1 13 TYR CD2 C -1.962 -1.090 5.340 1.00 . A A . 13 TYR CD2 1 1 5 1484 1 1 13 TYR CE1 C -1.818 1.678 4.931 1.00 . A A . 13 TYR CE1 1 1 5 1485 1 1 13 TYR CE2 C -2.729 -0.223 6.128 1.00 . A A . 13 TYR CE2 1 1 5 1486 1 1 13 TYR CG C -1.120 -0.574 4.346 1.00 . A A . 13 TYR CG 1 1 5 1487 1 1 13 TYR CZ C -2.657 1.160 5.923 1.00 . A A . 13 TYR CZ 1 1 5 1488 1 1 13 TYR H H -1.204 -0.252 1.495 1.00 . A A . 13 TYR H 1 1 5 1489 1 1 13 TYR HA H 1.111 0.053 3.104 1.00 . A A . 13 TYR HA 1 1 5 1490 1 1 13 TYR HB2 H -0.953 -2.149 2.924 1.00 . A A . 13 TYR HB2 1 1 5 1491 1 1 13 TYR HB3 H 0.316 -2.132 4.145 1.00 . A A . 13 TYR HB3 1 1 5 1492 1 1 13 TYR HD1 H -0.402 1.215 3.378 1.00 . A A . 13 TYR HD1 1 1 5 1493 1 1 13 TYR HD2 H -2.018 -2.156 5.499 1.00 . A A . 13 TYR HD2 1 1 5 1494 1 1 13 TYR HE1 H -1.762 2.745 4.774 1.00 . A A . 13 TYR HE1 1 1 5 1495 1 1 13 TYR HE2 H -3.377 -0.623 6.894 1.00 . A A . 13 TYR HE2 1 1 5 1496 1 1 13 TYR HH H -2.856 2.747 6.965 1.00 . A A . 13 TYR HH 1 1 5 1497 1 1 13 TYR N N -0.236 -0.115 1.486 1.00 . A A . 13 TYR N 1 1 5 1498 1 1 13 TYR O O 2.653 -1.962 2.520 1.00 . A A . 13 TYR O 1 1 5 1499 1 1 13 TYR OH O -3.415 2.013 6.701 1.00 . A A . 13 TYR OH 1 1 5 1500 1 1 14 PHE C C 3.602 -2.365 -0.296 1.00 . A A . 14 PHE C 1 1 5 1501 1 1 14 PHE CA C 2.312 -3.091 0.109 1.00 . A A . 14 PHE CA 1 1 5 1502 1 1 14 PHE CB C 1.643 -3.700 -1.121 1.00 . A A . 14 PHE CB 1 1 5 1503 1 1 14 PHE CD1 C 0.151 -4.797 0.589 1.00 . A A . 14 PHE CD1 1 1 5 1504 1 1 14 PHE CD2 C -0.742 -4.351 -1.621 1.00 . A A . 14 PHE CD2 1 1 5 1505 1 1 14 PHE CE1 C -1.076 -5.347 0.975 1.00 . A A . 14 PHE CE1 1 1 5 1506 1 1 14 PHE CE2 C -1.970 -4.901 -1.234 1.00 . A A . 14 PHE CE2 1 1 5 1507 1 1 14 PHE CG C 0.319 -4.299 -0.710 1.00 . A A . 14 PHE CG 1 1 5 1508 1 1 14 PHE CZ C -2.136 -5.399 0.066 1.00 . A A . 14 PHE CZ 1 1 5 1509 1 1 14 PHE H H 0.524 -1.911 0.309 1.00 . A A . 14 PHE H 1 1 5 1510 1 1 14 PHE HA H 2.552 -3.877 0.807 1.00 . A A . 14 PHE HA 1 1 5 1511 1 1 14 PHE HB2 H 1.479 -2.931 -1.862 1.00 . A A . 14 PHE HB2 1 1 5 1512 1 1 14 PHE HB3 H 2.275 -4.473 -1.531 1.00 . A A . 14 PHE HB3 1 1 5 1513 1 1 14 PHE HD1 H 0.970 -4.757 1.292 1.00 . A A . 14 PHE HD1 1 1 5 1514 1 1 14 PHE HD2 H -0.614 -3.967 -2.623 1.00 . A A . 14 PHE HD2 1 1 5 1515 1 1 14 PHE HE1 H -1.203 -5.731 1.976 1.00 . A A . 14 PHE HE1 1 1 5 1516 1 1 14 PHE HE2 H -2.789 -4.942 -1.936 1.00 . A A . 14 PHE HE2 1 1 5 1517 1 1 14 PHE HZ H -3.083 -5.823 0.364 1.00 . A A . 14 PHE HZ 1 1 5 1518 1 1 14 PHE N N 1.362 -2.150 0.757 1.00 . A A . 14 PHE N 1 1 5 1519 1 1 14 PHE O O 4.661 -2.959 -0.342 1.00 . A A . 14 PHE O 1 1 5 1520 1 1 15 CYS C C 5.577 0.060 0.257 1.00 . A A . 15 CYS C 1 1 5 1521 1 1 15 CYS CA C 4.775 -0.359 -0.986 1.00 . A A . 15 CYS CA 1 1 5 1522 1 1 15 CYS CB C 4.397 0.893 -1.780 1.00 . A A . 15 CYS CB 1 1 5 1523 1 1 15 CYS H H 2.676 -0.622 -0.555 1.00 . A A . 15 CYS H 1 1 5 1524 1 1 15 CYS HA H 5.386 -0.999 -1.606 1.00 . A A . 15 CYS HA 1 1 5 1525 1 1 15 CYS HB2 H 3.326 1.001 -1.791 1.00 . A A . 15 CYS HB2 1 1 5 1526 1 1 15 CYS HB3 H 4.839 1.760 -1.316 1.00 . A A . 15 CYS HB3 1 1 5 1527 1 1 15 CYS N N 3.535 -1.093 -0.589 1.00 . A A . 15 CYS N 1 1 5 1528 1 1 15 CYS O O 6.333 1.011 0.216 1.00 . A A . 15 CYS O 1 1 5 1529 1 1 15 CYS SG S 5.008 0.738 -3.476 1.00 . A A . 15 CYS SG 1 1 5 1530 1 1 16 HIS C C 5.562 0.952 3.254 1.00 . A A . 16 HIS C 1 1 5 1531 1 1 16 HIS CA C 6.203 -0.267 2.583 1.00 . A A . 16 HIS CA 1 1 5 1532 1 1 16 HIS CB C 7.646 0.065 2.199 1.00 . A A . 16 HIS CB 1 1 5 1533 1 1 16 HIS CD2 C 9.542 -0.048 4.015 1.00 . A A . 16 HIS CD2 1 1 5 1534 1 1 16 HIS CE1 C 9.555 -2.192 4.323 1.00 . A A . 16 HIS CE1 1 1 5 1535 1 1 16 HIS CG C 8.587 -0.576 3.181 1.00 . A A . 16 HIS CG 1 1 5 1536 1 1 16 HIS H H 4.827 -1.404 1.380 1.00 . A A . 16 HIS H 1 1 5 1537 1 1 16 HIS HA H 6.201 -1.100 3.272 1.00 . A A . 16 HIS HA 1 1 5 1538 1 1 16 HIS HB2 H 7.850 -0.311 1.206 1.00 . A A . 16 HIS HB2 1 1 5 1539 1 1 16 HIS HB3 H 7.785 1.135 2.214 1.00 . A A . 16 HIS HB3 1 1 5 1540 1 1 16 HIS HD1 H 8.050 -2.612 2.949 1.00 . A A . 16 HIS HD1 1 1 5 1541 1 1 16 HIS HD2 H 9.782 1.001 4.099 1.00 . A A . 16 HIS HD2 1 1 5 1542 1 1 16 HIS HE1 H 9.799 -3.178 4.691 1.00 . A A . 16 HIS HE1 1 1 5 1543 1 1 16 HIS N N 5.433 -0.638 1.358 1.00 . A A . 16 HIS N 1 1 5 1544 1 1 16 HIS ND1 N 8.615 -1.945 3.394 1.00 . A A . 16 HIS ND1 1 1 5 1545 1 1 16 HIS NE2 N 10.152 -1.070 4.736 1.00 . A A . 16 HIS NE2 1 1 5 1546 1 1 16 HIS O O 6.245 1.835 3.734 1.00 . A A . 16 HIS O 1 1 5 1547 1 1 17 LEU C C 2.926 1.737 5.229 1.00 . A A . 17 LEU C 1 1 5 1548 1 1 17 LEU CA C 3.584 2.173 3.918 1.00 . A A . 17 LEU CA 1 1 5 1549 1 1 17 LEU CB C 2.517 2.688 2.967 1.00 . A A . 17 LEU CB 1 1 5 1550 1 1 17 LEU CD1 C 3.400 2.530 0.635 1.00 . A A . 17 LEU CD1 1 1 5 1551 1 1 17 LEU CD2 C 2.272 4.622 1.404 1.00 . A A . 17 LEU CD2 1 1 5 1552 1 1 17 LEU CG C 3.177 3.463 1.826 1.00 . A A . 17 LEU CG 1 1 5 1553 1 1 17 LEU H H 3.718 0.304 2.894 1.00 . A A . 17 LEU H 1 1 5 1554 1 1 17 LEU HA H 4.304 2.953 4.112 1.00 . A A . 17 LEU HA 1 1 5 1555 1 1 17 LEU HB2 H 1.959 1.856 2.571 1.00 . A A . 17 LEU HB2 1 1 5 1556 1 1 17 LEU HB3 H 1.855 3.330 3.502 1.00 . A A . 17 LEU HB3 1 1 5 1557 1 1 17 LEU HD11 H 4.338 2.776 0.159 1.00 . A A . 17 LEU HD11 1 1 5 1558 1 1 17 LEU HD12 H 2.594 2.649 -0.073 1.00 . A A . 17 LEU HD12 1 1 5 1559 1 1 17 LEU HD13 H 3.430 1.507 0.980 1.00 . A A . 17 LEU HD13 1 1 5 1560 1 1 17 LEU HD21 H 1.404 4.654 2.046 1.00 . A A . 17 LEU HD21 1 1 5 1561 1 1 17 LEU HD22 H 1.957 4.478 0.380 1.00 . A A . 17 LEU HD22 1 1 5 1562 1 1 17 LEU HD23 H 2.814 5.552 1.486 1.00 . A A . 17 LEU HD23 1 1 5 1563 1 1 17 LEU HG H 4.127 3.849 2.159 1.00 . A A . 17 LEU HG 1 1 5 1564 1 1 17 LEU N N 4.257 1.014 3.288 1.00 . A A . 17 LEU N 1 1 5 1565 1 1 17 LEU O O 1.720 1.771 5.372 1.00 . A A . 17 LEU O 1 1 5 1566 1 1 18 ASP C C 1.898 0.043 7.262 1.00 . A A . 18 ASP C 1 1 5 1567 1 1 18 ASP CA C 3.147 0.903 7.495 1.00 . A A . 18 ASP CA 1 1 5 1568 1 1 18 ASP CB C 2.767 2.141 8.312 1.00 . A A . 18 ASP CB 1 1 5 1569 1 1 18 ASP CG C 1.904 1.725 9.505 1.00 . A A . 18 ASP CG 1 1 5 1570 1 1 18 ASP H H 4.678 1.328 6.045 1.00 . A A . 18 ASP H 1 1 5 1571 1 1 18 ASP HA H 3.887 0.331 8.036 1.00 . A A . 18 ASP HA 1 1 5 1572 1 1 18 ASP HB2 H 3.665 2.624 8.670 1.00 . A A . 18 ASP HB2 1 1 5 1573 1 1 18 ASP HB3 H 2.213 2.826 7.690 1.00 . A A . 18 ASP HB3 1 1 5 1574 1 1 18 ASP N N 3.713 1.338 6.186 1.00 . A A . 18 ASP N 1 1 5 1575 1 1 18 ASP O O 0.785 0.506 7.404 1.00 . A A . 18 ASP O 1 1 5 1576 1 1 18 ASP OD1 O 2.296 0.804 10.202 1.00 . A A . 18 ASP OD1 1 1 5 1577 1 1 18 ASP OD2 O 0.865 2.335 9.701 1.00 . A A . 18 ASP OD2 1 1 5 1578 1 1 19 ILE C C 0.134 -2.308 7.977 1.00 . A A . 19 ILE C 1 1 5 1579 1 1 19 ILE CA C 0.892 -2.082 6.664 1.00 . A A . 19 ILE CA 1 1 5 1580 1 1 19 ILE CB C 1.379 -3.426 6.132 1.00 . A A . 19 ILE CB 1 1 5 1581 1 1 19 ILE CD1 C 1.755 -5.581 7.339 1.00 . A A . 19 ILE CD1 1 1 5 1582 1 1 19 ILE CG1 C 2.204 -4.126 7.214 1.00 . A A . 19 ILE CG1 1 1 5 1583 1 1 19 ILE CG2 C 2.248 -3.206 4.892 1.00 . A A . 19 ILE CG2 1 1 5 1584 1 1 19 ILE H H 2.976 -1.566 6.786 1.00 . A A . 19 ILE H 1 1 5 1585 1 1 19 ILE HA H 0.237 -1.622 5.941 1.00 . A A . 19 ILE HA 1 1 5 1586 1 1 19 ILE HB H 0.532 -4.036 5.872 1.00 . A A . 19 ILE HB 1 1 5 1587 1 1 19 ILE HD11 H 2.510 -6.228 6.918 1.00 . A A . 19 ILE HD11 1 1 5 1588 1 1 19 ILE HD12 H 0.825 -5.717 6.807 1.00 . A A . 19 ILE HD12 1 1 5 1589 1 1 19 ILE HD13 H 1.611 -5.825 8.382 1.00 . A A . 19 ILE HD13 1 1 5 1590 1 1 19 ILE HG12 H 3.249 -4.094 6.947 1.00 . A A . 19 ILE HG12 1 1 5 1591 1 1 19 ILE HG13 H 2.058 -3.625 8.159 1.00 . A A . 19 ILE HG13 1 1 5 1592 1 1 19 ILE HG21 H 1.778 -3.671 4.037 1.00 . A A . 19 ILE HG21 1 1 5 1593 1 1 19 ILE HG22 H 3.221 -3.646 5.052 1.00 . A A . 19 ILE HG22 1 1 5 1594 1 1 19 ILE HG23 H 2.356 -2.147 4.712 1.00 . A A . 19 ILE HG23 1 1 5 1595 1 1 19 ILE N N 2.071 -1.204 6.903 1.00 . A A . 19 ILE N 1 1 5 1596 1 1 19 ILE O O 0.001 -3.425 8.437 1.00 . A A . 19 ILE O 1 1 5 1597 1 1 20 ILE C C -2.523 -1.929 9.590 1.00 . A A . 20 ILE C 1 1 5 1598 1 1 20 ILE CA C -1.097 -1.442 9.865 1.00 . A A . 20 ILE CA 1 1 5 1599 1 1 20 ILE CB C -1.145 -0.094 10.579 1.00 . A A . 20 ILE CB 1 1 5 1600 1 1 20 ILE CD1 C -1.147 -1.326 12.751 1.00 . A A . 20 ILE CD1 1 1 5 1601 1 1 20 ILE CG1 C -1.850 -0.249 11.923 1.00 . A A . 20 ILE CG1 1 1 5 1602 1 1 20 ILE CG2 C -1.912 0.910 9.719 1.00 . A A . 20 ILE CG2 1 1 5 1603 1 1 20 ILE H H -0.248 -0.369 8.213 1.00 . A A . 20 ILE H 1 1 5 1604 1 1 20 ILE HA H -0.582 -2.160 10.484 1.00 . A A . 20 ILE HA 1 1 5 1605 1 1 20 ILE HB H -0.139 0.264 10.738 1.00 . A A . 20 ILE HB 1 1 5 1606 1 1 20 ILE HD11 H -1.801 -2.178 12.865 1.00 . A A . 20 ILE HD11 1 1 5 1607 1 1 20 ILE HD12 H -0.901 -0.928 13.725 1.00 . A A . 20 ILE HD12 1 1 5 1608 1 1 20 ILE HD13 H -0.240 -1.632 12.249 1.00 . A A . 20 ILE HD13 1 1 5 1609 1 1 20 ILE HG12 H -1.812 0.690 12.446 1.00 . A A . 20 ILE HG12 1 1 5 1610 1 1 20 ILE HG13 H -2.879 -0.535 11.763 1.00 . A A . 20 ILE HG13 1 1 5 1611 1 1 20 ILE HG21 H -2.447 0.385 8.941 1.00 . A A . 20 ILE HG21 1 1 5 1612 1 1 20 ILE HG22 H -1.217 1.606 9.271 1.00 . A A . 20 ILE HG22 1 1 5 1613 1 1 20 ILE HG23 H -2.614 1.452 10.336 1.00 . A A . 20 ILE HG23 1 1 5 1614 1 1 20 ILE N N -0.362 -1.269 8.587 1.00 . A A . 20 ILE N 1 1 5 1615 1 1 20 ILE O O -3.484 -1.244 9.881 1.00 . A A . 20 ILE O 1 1 5 1616 1 1 21 TRP C C -4.901 -3.501 10.035 1.00 . A A . 21 TRP C 1 1 5 1617 1 1 21 TRP CA C -4.055 -3.606 8.764 1.00 . A A . 21 TRP CA 1 1 5 1618 1 1 21 TRP CB C -4.026 -5.069 8.297 1.00 . A A . 21 TRP CB 1 1 5 1619 1 1 21 TRP CD1 C -2.265 -6.871 8.210 1.00 . A A . 21 TRP CD1 1 1 5 1620 1 1 21 TRP CD2 C -2.042 -5.584 10.045 1.00 . A A . 21 TRP CD2 1 1 5 1621 1 1 21 TRP CE2 C -1.013 -6.556 10.097 1.00 . A A . 21 TRP CE2 1 1 5 1622 1 1 21 TRP CE3 C -2.113 -4.648 11.094 1.00 . A A . 21 TRP CE3 1 1 5 1623 1 1 21 TRP CG C -2.826 -5.805 8.825 1.00 . A A . 21 TRP CG 1 1 5 1624 1 1 21 TRP CH2 C -0.186 -5.664 12.180 1.00 . A A . 21 TRP CH2 1 1 5 1625 1 1 21 TRP CZ2 C -0.096 -6.601 11.148 1.00 . A A . 21 TRP CZ2 1 1 5 1626 1 1 21 TRP CZ3 C -1.192 -4.690 12.153 1.00 . A A . 21 TRP CZ3 1 1 5 1627 1 1 21 TRP H H -1.900 -3.652 8.807 1.00 . A A . 21 TRP H 1 1 5 1628 1 1 21 TRP HA H -4.503 -2.998 7.992 1.00 . A A . 21 TRP HA 1 1 5 1629 1 1 21 TRP HB2 H -4.920 -5.565 8.642 1.00 . A A . 21 TRP HB2 1 1 5 1630 1 1 21 TRP HB3 H -4.008 -5.091 7.217 1.00 . A A . 21 TRP HB3 1 1 5 1631 1 1 21 TRP HD1 H -2.603 -7.306 7.280 1.00 . A A . 21 TRP HD1 1 1 5 1632 1 1 21 TRP HE1 H -0.618 -8.074 8.727 1.00 . A A . 21 TRP HE1 1 1 5 1633 1 1 21 TRP HE3 H -2.878 -3.891 11.084 1.00 . A A . 21 TRP HE3 1 1 5 1634 1 1 21 TRP HH2 H 0.519 -5.691 12.997 1.00 . A A . 21 TRP HH2 1 1 5 1635 1 1 21 TRP HZ2 H 0.677 -7.354 11.164 1.00 . A A . 21 TRP HZ2 1 1 5 1636 1 1 21 TRP HZ3 H -1.260 -3.968 12.952 1.00 . A A . 21 TRP HZ3 1 1 5 1637 1 1 21 TRP N N -2.680 -3.105 9.037 1.00 . A A . 21 TRP N 1 1 5 1638 1 1 21 TRP NE1 N -1.193 -7.315 8.960 1.00 . A A . 21 TRP NE1 1 1 5 1639 1 1 21 TRP O O -5.492 -2.454 10.243 1.00 . A A . 21 TRP O 1 1 5 1640 1 1 21 TRP OXT O -4.943 -4.468 10.777 1.00 . A A . 21 TRP OXT 1 1 6 1641 1 1 1 CYS C C 5.924 -2.787 -4.794 1.00 . A A . 1 CYS C 1 1 6 1642 1 1 1 CYS CA C 6.682 -2.146 -3.631 1.00 . A A . 1 CYS CA 1 1 6 1643 1 1 1 CYS CB C 6.795 -0.636 -3.863 1.00 . A A . 1 CYS CB 1 1 6 1644 1 1 1 CYS H1 H 8.006 -3.621 -2.994 1.00 . A A . 1 CYS H1 1 1 6 1645 1 1 1 CYS H2 H 8.685 -2.067 -3.068 1.00 . A A . 1 CYS H2 1 1 6 1646 1 1 1 CYS H3 H 8.401 -2.941 -4.496 1.00 . A A . 1 CYS H3 1 1 6 1647 1 1 1 CYS HA H 6.148 -2.329 -2.709 1.00 . A A . 1 CYS HA 1 1 6 1648 1 1 1 CYS HB2 H 7.159 -0.160 -2.965 1.00 . A A . 1 CYS HB2 1 1 6 1649 1 1 1 CYS HB3 H 7.485 -0.448 -4.673 1.00 . A A . 1 CYS HB3 1 1 6 1650 1 1 1 CYS N N 8.047 -2.739 -3.540 1.00 . A A . 1 CYS N 1 1 6 1651 1 1 1 CYS O O 6.512 -3.342 -5.700 1.00 . A A . 1 CYS O 1 1 6 1652 1 1 1 CYS SG S 5.169 0.038 -4.287 1.00 . A A . 1 CYS SG 1 1 6 1653 1 1 2 SER C C 2.336 -3.241 -5.542 1.00 . A A . 2 SER C 1 1 6 1654 1 1 2 SER CA C 3.825 -3.315 -5.883 1.00 . A A . 2 SER CA 1 1 6 1655 1 1 2 SER CB C 4.234 -4.776 -6.067 1.00 . A A . 2 SER CB 1 1 6 1656 1 1 2 SER H H 4.167 -2.258 -4.036 1.00 . A A . 2 SER H 1 1 6 1657 1 1 2 SER HA H 4.012 -2.771 -6.797 1.00 . A A . 2 SER HA 1 1 6 1658 1 1 2 SER HB2 H 4.566 -5.180 -5.125 1.00 . A A . 2 SER HB2 1 1 6 1659 1 1 2 SER HB3 H 3.383 -5.343 -6.420 1.00 . A A . 2 SER HB3 1 1 6 1660 1 1 2 SER HG H 4.956 -4.568 -7.862 1.00 . A A . 2 SER HG 1 1 6 1661 1 1 2 SER N N 4.621 -2.712 -4.776 1.00 . A A . 2 SER N 1 1 6 1662 1 1 2 SER O O 1.828 -4.023 -4.763 1.00 . A A . 2 SER O 1 1 6 1663 1 1 2 SER OG O 5.296 -4.851 -7.009 1.00 . A A . 2 SER OG 1 1 6 1664 1 1 3 CYS C C -0.544 -1.701 -7.103 1.00 . A A . 3 CYS C 1 1 6 1665 1 1 3 CYS CA C 0.173 -2.189 -5.840 1.00 . A A . 3 CYS CA 1 1 6 1666 1 1 3 CYS CB C -0.039 -1.188 -4.694 1.00 . A A . 3 CYS CB 1 1 6 1667 1 1 3 CYS H H 2.058 -1.692 -6.753 1.00 . A A . 3 CYS H 1 1 6 1668 1 1 3 CYS HA H -0.214 -3.156 -5.552 1.00 . A A . 3 CYS HA 1 1 6 1669 1 1 3 CYS HB2 H 0.223 -1.656 -3.759 1.00 . A A . 3 CYS HB2 1 1 6 1670 1 1 3 CYS HB3 H 0.586 -0.323 -4.851 1.00 . A A . 3 CYS HB3 1 1 6 1671 1 1 3 CYS N N 1.630 -2.310 -6.125 1.00 . A A . 3 CYS N 1 1 6 1672 1 1 3 CYS O O 0.067 -1.157 -8.002 1.00 . A A . 3 CYS O 1 1 6 1673 1 1 3 CYS SG S -1.774 -0.674 -4.625 1.00 . A A . 3 CYS SG 1 1 6 1674 1 1 4 SER C C -2.358 0.083 -8.556 1.00 . A A . 4 SER C 1 1 6 1675 1 1 4 SER CA C -2.580 -1.418 -8.381 1.00 . A A . 4 SER CA 1 1 6 1676 1 1 4 SER CB C -4.073 -1.697 -8.199 1.00 . A A . 4 SER CB 1 1 6 1677 1 1 4 SER H H -2.313 -2.315 -6.442 1.00 . A A . 4 SER H 1 1 6 1678 1 1 4 SER HA H -2.221 -1.938 -9.253 1.00 . A A . 4 SER HA 1 1 6 1679 1 1 4 SER HB2 H -4.282 -2.725 -8.439 1.00 . A A . 4 SER HB2 1 1 6 1680 1 1 4 SER HB3 H -4.350 -1.505 -7.169 1.00 . A A . 4 SER HB3 1 1 6 1681 1 1 4 SER HG H -4.852 -1.271 -9.930 1.00 . A A . 4 SER HG 1 1 6 1682 1 1 4 SER N N -1.835 -1.881 -7.179 1.00 . A A . 4 SER N 1 1 6 1683 1 1 4 SER O O -1.885 0.540 -9.577 1.00 . A A . 4 SER O 1 1 6 1684 1 1 4 SER OG O -4.818 -0.853 -9.067 1.00 . A A . 4 SER OG 1 1 6 1685 1 1 5 SER C C -1.874 2.816 -6.327 1.00 . A A . 5 SER C 1 1 6 1686 1 1 5 SER CA C -2.491 2.321 -7.646 1.00 . A A . 5 SER CA 1 1 6 1687 1 1 5 SER CB C -3.841 3.004 -7.890 1.00 . A A . 5 SER CB 1 1 6 1688 1 1 5 SER H H -3.061 0.454 -6.744 1.00 . A A . 5 SER H 1 1 6 1689 1 1 5 SER HA H -1.823 2.537 -8.469 1.00 . A A . 5 SER HA 1 1 6 1690 1 1 5 SER HB2 H -3.824 3.509 -8.842 1.00 . A A . 5 SER HB2 1 1 6 1691 1 1 5 SER HB3 H -4.624 2.257 -7.901 1.00 . A A . 5 SER HB3 1 1 6 1692 1 1 5 SER HG H -4.234 4.809 -7.278 1.00 . A A . 5 SER HG 1 1 6 1693 1 1 5 SER N N -2.689 0.850 -7.558 1.00 . A A . 5 SER N 1 1 6 1694 1 1 5 SER O O -2.443 2.646 -5.266 1.00 . A A . 5 SER O 1 1 6 1695 1 1 5 SER OG O -4.090 3.956 -6.863 1.00 . A A . 5 SER OG 1 1 6 1696 1 1 6 LEU C C -0.944 4.840 -4.335 1.00 . A A . 6 LEU C 1 1 6 1697 1 1 6 LEU CA C -0.039 3.875 -5.125 1.00 . A A . 6 LEU CA 1 1 6 1698 1 1 6 LEU CB C 1.273 4.584 -5.475 1.00 . A A . 6 LEU CB 1 1 6 1699 1 1 6 LEU CD1 C 2.317 2.550 -6.496 1.00 . A A . 6 LEU CD1 1 1 6 1700 1 1 6 LEU CD2 C 3.759 4.325 -5.487 1.00 . A A . 6 LEU CD2 1 1 6 1701 1 1 6 LEU CG C 2.425 3.583 -5.371 1.00 . A A . 6 LEU CG 1 1 6 1702 1 1 6 LEU H H -0.252 3.509 -7.242 1.00 . A A . 6 LEU H 1 1 6 1703 1 1 6 LEU HA H 0.188 3.018 -4.505 1.00 . A A . 6 LEU HA 1 1 6 1704 1 1 6 LEU HB2 H 1.225 4.979 -6.479 1.00 . A A . 6 LEU HB2 1 1 6 1705 1 1 6 LEU HB3 H 1.442 5.393 -4.779 1.00 . A A . 6 LEU HB3 1 1 6 1706 1 1 6 LEU HD11 H 1.981 3.035 -7.400 1.00 . A A . 6 LEU HD11 1 1 6 1707 1 1 6 LEU HD12 H 1.610 1.783 -6.213 1.00 . A A . 6 LEU HD12 1 1 6 1708 1 1 6 LEU HD13 H 3.285 2.100 -6.666 1.00 . A A . 6 LEU HD13 1 1 6 1709 1 1 6 LEU HD21 H 3.886 4.681 -6.499 1.00 . A A . 6 LEU HD21 1 1 6 1710 1 1 6 LEU HD22 H 4.568 3.654 -5.237 1.00 . A A . 6 LEU HD22 1 1 6 1711 1 1 6 LEU HD23 H 3.764 5.164 -4.807 1.00 . A A . 6 LEU HD23 1 1 6 1712 1 1 6 LEU HG H 2.374 3.078 -4.420 1.00 . A A . 6 LEU HG 1 1 6 1713 1 1 6 LEU N N -0.705 3.400 -6.379 1.00 . A A . 6 LEU N 1 1 6 1714 1 1 6 LEU O O -0.687 5.124 -3.182 1.00 . A A . 6 LEU O 1 1 6 1715 1 1 7 MET C C -3.944 5.550 -3.399 1.00 . A A . 7 MET C 1 1 6 1716 1 1 7 MET CA C -2.869 6.311 -4.189 1.00 . A A . 7 MET CA 1 1 6 1717 1 1 7 MET CB C -3.542 7.264 -5.183 1.00 . A A . 7 MET CB 1 1 6 1718 1 1 7 MET CE C -5.903 9.467 -6.422 1.00 . A A . 7 MET CE 1 1 6 1719 1 1 7 MET CG C -4.645 8.053 -4.474 1.00 . A A . 7 MET CG 1 1 6 1720 1 1 7 MET H H -2.184 5.142 -5.861 1.00 . A A . 7 MET H 1 1 6 1721 1 1 7 MET HA H -2.266 6.886 -3.500 1.00 . A A . 7 MET HA 1 1 6 1722 1 1 7 MET HB2 H -2.805 7.950 -5.576 1.00 . A A . 7 MET HB2 1 1 6 1723 1 1 7 MET HB3 H -3.972 6.696 -5.994 1.00 . A A . 7 MET HB3 1 1 6 1724 1 1 7 MET HE1 H -6.037 8.403 -6.567 1.00 . A A . 7 MET HE1 1 1 6 1725 1 1 7 MET HE2 H -5.557 9.912 -7.340 1.00 . A A . 7 MET HE2 1 1 6 1726 1 1 7 MET HE3 H -6.843 9.919 -6.137 1.00 . A A . 7 MET HE3 1 1 6 1727 1 1 7 MET HG2 H -5.599 7.580 -4.655 1.00 . A A . 7 MET HG2 1 1 6 1728 1 1 7 MET HG3 H -4.450 8.075 -3.413 1.00 . A A . 7 MET HG3 1 1 6 1729 1 1 7 MET N N -1.987 5.361 -4.931 1.00 . A A . 7 MET N 1 1 6 1730 1 1 7 MET O O -4.696 6.135 -2.645 1.00 . A A . 7 MET O 1 1 6 1731 1 1 7 MET SD S -4.682 9.746 -5.116 1.00 . A A . 7 MET SD 1 1 6 1732 1 1 8 ASP C C -4.853 3.669 -1.304 1.00 . A A . 8 ASP C 1 1 6 1733 1 1 8 ASP CA C -5.062 3.479 -2.808 1.00 . A A . 8 ASP CA 1 1 6 1734 1 1 8 ASP CB C -4.948 1.988 -3.148 1.00 . A A . 8 ASP CB 1 1 6 1735 1 1 8 ASP CG C -6.331 1.340 -3.068 1.00 . A A . 8 ASP CG 1 1 6 1736 1 1 8 ASP H H -3.420 3.797 -4.169 1.00 . A A . 8 ASP H 1 1 6 1737 1 1 8 ASP HA H -6.045 3.833 -3.079 1.00 . A A . 8 ASP HA 1 1 6 1738 1 1 8 ASP HB2 H -4.556 1.871 -4.147 1.00 . A A . 8 ASP HB2 1 1 6 1739 1 1 8 ASP HB3 H -4.287 1.508 -2.444 1.00 . A A . 8 ASP HB3 1 1 6 1740 1 1 8 ASP N N -4.029 4.255 -3.559 1.00 . A A . 8 ASP N 1 1 6 1741 1 1 8 ASP O O -4.347 4.679 -0.858 1.00 . A A . 8 ASP O 1 1 6 1742 1 1 8 ASP OD1 O -7.208 1.933 -2.460 1.00 . A A . 8 ASP OD1 1 1 6 1743 1 1 8 ASP OD2 O -6.492 0.262 -3.616 1.00 . A A . 8 ASP OD2 1 1 6 1744 1 1 9 LYS C C -4.404 1.537 1.506 1.00 . A A . 9 LYS C 1 1 6 1745 1 1 9 LYS CA C -5.067 2.817 0.959 1.00 . A A . 9 LYS CA 1 1 6 1746 1 1 9 LYS CB C -6.436 3.041 1.625 1.00 . A A . 9 LYS CB 1 1 6 1747 1 1 9 LYS CD C -6.562 5.510 1.101 1.00 . A A . 9 LYS CD 1 1 6 1748 1 1 9 LYS CE C -6.179 5.669 2.575 1.00 . A A . 9 LYS CE 1 1 6 1749 1 1 9 LYS CG C -7.213 4.139 0.874 1.00 . A A . 9 LYS CG 1 1 6 1750 1 1 9 LYS H H -5.643 1.896 -0.910 1.00 . A A . 9 LYS H 1 1 6 1751 1 1 9 LYS HA H -4.426 3.658 1.173 1.00 . A A . 9 LYS HA 1 1 6 1752 1 1 9 LYS HB2 H -7.001 2.122 1.600 1.00 . A A . 9 LYS HB2 1 1 6 1753 1 1 9 LYS HB3 H -6.290 3.344 2.650 1.00 . A A . 9 LYS HB3 1 1 6 1754 1 1 9 LYS HD2 H -5.678 5.596 0.487 1.00 . A A . 9 LYS HD2 1 1 6 1755 1 1 9 LYS HD3 H -7.263 6.288 0.830 1.00 . A A . 9 LYS HD3 1 1 6 1756 1 1 9 LYS HE2 H -6.302 6.701 2.868 1.00 . A A . 9 LYS HE2 1 1 6 1757 1 1 9 LYS HE3 H -6.818 5.045 3.182 1.00 . A A . 9 LYS HE3 1 1 6 1758 1 1 9 LYS HG2 H -7.214 3.916 -0.183 1.00 . A A . 9 LYS HG2 1 1 6 1759 1 1 9 LYS HG3 H -8.234 4.171 1.232 1.00 . A A . 9 LYS HG3 1 1 6 1760 1 1 9 LYS HZ1 H -4.239 5.385 1.875 1.00 . A A . 9 LYS HZ1 1 1 6 1761 1 1 9 LYS HZ2 H -4.719 4.266 3.059 1.00 . A A . 9 LYS HZ2 1 1 6 1762 1 1 9 LYS HZ3 H -4.324 5.858 3.501 1.00 . A A . 9 LYS HZ3 1 1 6 1763 1 1 9 LYS N N -5.240 2.700 -0.521 1.00 . A A . 9 LYS N 1 1 6 1764 1 1 9 LYS NZ N -4.758 5.264 2.767 1.00 . A A . 9 LYS NZ 1 1 6 1765 1 1 9 LYS O O -3.227 1.527 1.804 1.00 . A A . 9 LYS O 1 1 6 1766 1 1 10 GLU C C -3.588 -1.375 1.093 1.00 . A A . 10 GLU C 1 1 6 1767 1 1 10 GLU CA C -4.527 -0.797 2.158 1.00 . A A . 10 GLU CA 1 1 6 1768 1 1 10 GLU CB C -5.645 -1.797 2.480 1.00 . A A . 10 GLU CB 1 1 6 1769 1 1 10 GLU CD C -5.623 -3.995 3.673 1.00 . A A . 10 GLU CD 1 1 6 1770 1 1 10 GLU CG C -5.099 -3.227 2.458 1.00 . A A . 10 GLU CG 1 1 6 1771 1 1 10 GLU H H -6.078 0.468 1.398 1.00 . A A . 10 GLU H 1 1 6 1772 1 1 10 GLU HA H -3.965 -0.581 3.055 1.00 . A A . 10 GLU HA 1 1 6 1773 1 1 10 GLU HB2 H -6.045 -1.583 3.460 1.00 . A A . 10 GLU HB2 1 1 6 1774 1 1 10 GLU HB3 H -6.430 -1.705 1.744 1.00 . A A . 10 GLU HB3 1 1 6 1775 1 1 10 GLU HG2 H -5.421 -3.718 1.551 1.00 . A A . 10 GLU HG2 1 1 6 1776 1 1 10 GLU HG3 H -4.021 -3.198 2.489 1.00 . A A . 10 GLU HG3 1 1 6 1777 1 1 10 GLU N N -5.136 0.458 1.639 1.00 . A A . 10 GLU N 1 1 6 1778 1 1 10 GLU O O -2.589 -1.995 1.401 1.00 . A A . 10 GLU O 1 1 6 1779 1 1 10 GLU OE1 O -5.662 -3.414 4.745 1.00 . A A . 10 GLU OE1 1 1 6 1780 1 1 10 GLU OE2 O -5.978 -5.151 3.510 1.00 . A A . 10 GLU OE2 1 1 6 1781 1 1 11 CYS C C -1.769 -0.798 -1.312 1.00 . A A . 11 CYS C 1 1 6 1782 1 1 11 CYS CA C -3.014 -1.680 -1.242 1.00 . A A . 11 CYS CA 1 1 6 1783 1 1 11 CYS CB C -3.770 -1.623 -2.571 1.00 . A A . 11 CYS CB 1 1 6 1784 1 1 11 CYS H H -4.693 -0.644 -0.382 1.00 . A A . 11 CYS H 1 1 6 1785 1 1 11 CYS HA H -2.726 -2.698 -1.027 1.00 . A A . 11 CYS HA 1 1 6 1786 1 1 11 CYS HB2 H -4.675 -2.207 -2.495 1.00 . A A . 11 CYS HB2 1 1 6 1787 1 1 11 CYS HB3 H -4.023 -0.597 -2.797 1.00 . A A . 11 CYS HB3 1 1 6 1788 1 1 11 CYS N N -3.892 -1.162 -0.156 1.00 . A A . 11 CYS N 1 1 6 1789 1 1 11 CYS O O -0.792 -1.123 -1.957 1.00 . A A . 11 CYS O 1 1 6 1790 1 1 11 CYS SG S -2.731 -2.292 -3.890 1.00 . A A . 11 CYS SG 1 1 6 1791 1 1 12 VAL C C 0.405 0.780 0.349 1.00 . A A . 12 VAL C 1 1 6 1792 1 1 12 VAL CA C -0.660 1.256 -0.648 1.00 . A A . 12 VAL CA 1 1 6 1793 1 1 12 VAL CB C -1.180 2.636 -0.249 1.00 . A A . 12 VAL CB 1 1 6 1794 1 1 12 VAL CG1 C -0.027 3.526 0.177 1.00 . A A . 12 VAL CG1 1 1 6 1795 1 1 12 VAL CG2 C -1.899 3.267 -1.442 1.00 . A A . 12 VAL CG2 1 1 6 1796 1 1 12 VAL H H -2.618 0.555 -0.143 1.00 . A A . 12 VAL H 1 1 6 1797 1 1 12 VAL HA H -0.230 1.306 -1.634 1.00 . A A . 12 VAL HA 1 1 6 1798 1 1 12 VAL HB H -1.870 2.535 0.572 1.00 . A A . 12 VAL HB 1 1 6 1799 1 1 12 VAL HG11 H 0.308 3.226 1.159 1.00 . A A . 12 VAL HG11 1 1 6 1800 1 1 12 VAL HG12 H -0.360 4.552 0.204 1.00 . A A . 12 VAL HG12 1 1 6 1801 1 1 12 VAL HG13 H 0.782 3.424 -0.528 1.00 . A A . 12 VAL HG13 1 1 6 1802 1 1 12 VAL HG21 H -2.768 2.675 -1.692 1.00 . A A . 12 VAL HG21 1 1 6 1803 1 1 12 VAL HG22 H -1.230 3.299 -2.288 1.00 . A A . 12 VAL HG22 1 1 6 1804 1 1 12 VAL HG23 H -2.208 4.269 -1.187 1.00 . A A . 12 VAL HG23 1 1 6 1805 1 1 12 VAL N N -1.812 0.321 -0.647 1.00 . A A . 12 VAL N 1 1 6 1806 1 1 12 VAL O O 1.584 0.989 0.153 1.00 . A A . 12 VAL O 1 1 6 1807 1 1 13 TYR C C 2.100 -1.126 1.721 1.00 . A A . 13 TYR C 1 1 6 1808 1 1 13 TYR CA C 0.994 -0.335 2.418 1.00 . A A . 13 TYR CA 1 1 6 1809 1 1 13 TYR CB C 0.292 -1.243 3.428 1.00 . A A . 13 TYR CB 1 1 6 1810 1 1 13 TYR CD1 C -0.885 0.892 4.082 1.00 . A A . 13 TYR CD1 1 1 6 1811 1 1 13 TYR CD2 C -1.934 -1.231 4.608 1.00 . A A . 13 TYR CD2 1 1 6 1812 1 1 13 TYR CE1 C -1.963 1.569 4.664 1.00 . A A . 13 TYR CE1 1 1 6 1813 1 1 13 TYR CE2 C -3.012 -0.553 5.190 1.00 . A A . 13 TYR CE2 1 1 6 1814 1 1 13 TYR CG C -0.870 -0.508 4.053 1.00 . A A . 13 TYR CG 1 1 6 1815 1 1 13 TYR CZ C -3.027 0.846 5.219 1.00 . A A . 13 TYR CZ 1 1 6 1816 1 1 13 TYR H H -0.953 -0.015 1.561 1.00 . A A . 13 TYR H 1 1 6 1817 1 1 13 TYR HA H 1.424 0.509 2.933 1.00 . A A . 13 TYR HA 1 1 6 1818 1 1 13 TYR HB2 H -0.071 -2.127 2.925 1.00 . A A . 13 TYR HB2 1 1 6 1819 1 1 13 TYR HB3 H 0.990 -1.530 4.198 1.00 . A A . 13 TYR HB3 1 1 6 1820 1 1 13 TYR HD1 H -0.065 1.449 3.655 1.00 . A A . 13 TYR HD1 1 1 6 1821 1 1 13 TYR HD2 H -1.924 -2.310 4.586 1.00 . A A . 13 TYR HD2 1 1 6 1822 1 1 13 TYR HE1 H -1.975 2.649 4.687 1.00 . A A . 13 TYR HE1 1 1 6 1823 1 1 13 TYR HE2 H -3.832 -1.110 5.617 1.00 . A A . 13 TYR HE2 1 1 6 1824 1 1 13 TYR HH H -4.821 1.498 5.171 1.00 . A A . 13 TYR HH 1 1 6 1825 1 1 13 TYR N N 0.001 0.145 1.416 1.00 . A A . 13 TYR N 1 1 6 1826 1 1 13 TYR O O 3.203 -1.242 2.222 1.00 . A A . 13 TYR O 1 1 6 1827 1 1 13 TYR OH O -4.089 1.513 5.793 1.00 . A A . 13 TYR OH 1 1 6 1828 1 1 14 PHE C C 4.025 -1.590 -0.531 1.00 . A A . 14 PHE C 1 1 6 1829 1 1 14 PHE CA C 2.847 -2.484 -0.134 1.00 . A A . 14 PHE CA 1 1 6 1830 1 1 14 PHE CB C 2.221 -3.108 -1.380 1.00 . A A . 14 PHE CB 1 1 6 1831 1 1 14 PHE CD1 C 0.793 -4.334 0.296 1.00 . A A . 14 PHE CD1 1 1 6 1832 1 1 14 PHE CD2 C -0.127 -3.870 -1.899 1.00 . A A . 14 PHE CD2 1 1 6 1833 1 1 14 PHE CE1 C -0.401 -4.963 0.666 1.00 . A A . 14 PHE CE1 1 1 6 1834 1 1 14 PHE CE2 C -1.322 -4.499 -1.528 1.00 . A A . 14 PHE CE2 1 1 6 1835 1 1 14 PHE CG C 0.931 -3.788 -0.987 1.00 . A A . 14 PHE CG 1 1 6 1836 1 1 14 PHE CZ C -1.458 -5.044 -0.246 1.00 . A A . 14 PHE CZ 1 1 6 1837 1 1 14 PHE H H 0.916 -1.592 0.201 1.00 . A A . 14 PHE H 1 1 6 1838 1 1 14 PHE HA H 3.198 -3.268 0.519 1.00 . A A . 14 PHE HA 1 1 6 1839 1 1 14 PHE HB2 H 2.017 -2.336 -2.109 1.00 . A A . 14 PHE HB2 1 1 6 1840 1 1 14 PHE HB3 H 2.897 -3.836 -1.801 1.00 . A A . 14 PHE HB3 1 1 6 1841 1 1 14 PHE HD1 H 1.611 -4.270 1.000 1.00 . A A . 14 PHE HD1 1 1 6 1842 1 1 14 PHE HD2 H -0.022 -3.449 -2.888 1.00 . A A . 14 PHE HD2 1 1 6 1843 1 1 14 PHE HE1 H -0.505 -5.383 1.655 1.00 . A A . 14 PHE HE1 1 1 6 1844 1 1 14 PHE HE2 H -2.139 -4.563 -2.232 1.00 . A A . 14 PHE HE2 1 1 6 1845 1 1 14 PHE HZ H -2.380 -5.529 0.040 1.00 . A A . 14 PHE HZ 1 1 6 1846 1 1 14 PHE N N 1.814 -1.686 0.582 1.00 . A A . 14 PHE N 1 1 6 1847 1 1 14 PHE O O 5.154 -2.035 -0.600 1.00 . A A . 14 PHE O 1 1 6 1848 1 1 15 CYS C C 5.621 1.091 0.081 1.00 . A A . 15 CYS C 1 1 6 1849 1 1 15 CYS CA C 4.894 0.579 -1.173 1.00 . A A . 15 CYS CA 1 1 6 1850 1 1 15 CYS CB C 4.331 1.768 -1.955 1.00 . A A . 15 CYS CB 1 1 6 1851 1 1 15 CYS H H 2.864 0.007 -0.729 1.00 . A A . 15 CYS H 1 1 6 1852 1 1 15 CYS HA H 5.594 0.042 -1.798 1.00 . A A . 15 CYS HA 1 1 6 1853 1 1 15 CYS HB2 H 3.277 1.616 -2.132 1.00 . A A . 15 CYS HB2 1 1 6 1854 1 1 15 CYS HB3 H 4.474 2.673 -1.384 1.00 . A A . 15 CYS HB3 1 1 6 1855 1 1 15 CYS N N 3.780 -0.335 -0.787 1.00 . A A . 15 CYS N 1 1 6 1856 1 1 15 CYS O O 6.269 2.118 0.048 1.00 . A A . 15 CYS O 1 1 6 1857 1 1 15 CYS SG S 5.195 1.912 -3.538 1.00 . A A . 15 CYS SG 1 1 6 1858 1 1 16 HIS C C 5.421 1.950 3.100 1.00 . A A . 16 HIS C 1 1 6 1859 1 1 16 HIS CA C 6.221 0.830 2.426 1.00 . A A . 16 HIS CA 1 1 6 1860 1 1 16 HIS CB C 7.618 1.347 2.075 1.00 . A A . 16 HIS CB 1 1 6 1861 1 1 16 HIS CD2 C 8.556 -0.143 4.026 1.00 . A A . 16 HIS CD2 1 1 6 1862 1 1 16 HIS CE1 C 10.459 0.857 4.299 1.00 . A A . 16 HIS CE1 1 1 6 1863 1 1 16 HIS CG C 8.601 0.883 3.114 1.00 . A A . 16 HIS CG 1 1 6 1864 1 1 16 HIS H H 5.004 -0.442 1.190 1.00 . A A . 16 HIS H 1 1 6 1865 1 1 16 HIS HA H 6.313 -0.006 3.104 1.00 . A A . 16 HIS HA 1 1 6 1866 1 1 16 HIS HB2 H 7.910 0.966 1.107 1.00 . A A . 16 HIS HB2 1 1 6 1867 1 1 16 HIS HB3 H 7.607 2.427 2.048 1.00 . A A . 16 HIS HB3 1 1 6 1868 1 1 16 HIS HD1 H 10.164 2.279 2.809 1.00 . A A . 16 HIS HD1 1 1 6 1869 1 1 16 HIS HD2 H 7.734 -0.832 4.146 1.00 . A A . 16 HIS HD2 1 1 6 1870 1 1 16 HIS HE1 H 11.439 1.122 4.667 1.00 . A A . 16 HIS HE1 1 1 6 1871 1 1 16 HIS N N 5.527 0.384 1.181 1.00 . A A . 16 HIS N 1 1 6 1872 1 1 16 HIS ND1 N 9.824 1.506 3.306 1.00 . A A . 16 HIS ND1 1 1 6 1873 1 1 16 HIS NE2 N 9.730 -0.157 4.773 1.00 . A A . 16 HIS NE2 1 1 6 1874 1 1 16 HIS O O 5.979 2.918 3.577 1.00 . A A . 16 HIS O 1 1 6 1875 1 1 17 LEU C C 2.718 2.399 5.092 1.00 . A A . 17 LEU C 1 1 6 1876 1 1 17 LEU CA C 3.300 2.897 3.766 1.00 . A A . 17 LEU CA 1 1 6 1877 1 1 17 LEU CB C 2.166 3.246 2.813 1.00 . A A . 17 LEU CB 1 1 6 1878 1 1 17 LEU CD1 C 3.821 4.908 1.913 1.00 . A A . 17 LEU CD1 1 1 6 1879 1 1 17 LEU CD2 C 3.318 2.822 0.636 1.00 . A A . 17 LEU CD2 1 1 6 1880 1 1 17 LEU CG C 2.729 3.901 1.545 1.00 . A A . 17 LEU CG 1 1 6 1881 1 1 17 LEU H H 3.675 1.066 2.741 1.00 . A A . 17 LEU H 1 1 6 1882 1 1 17 LEU HA H 3.907 3.772 3.941 1.00 . A A . 17 LEU HA 1 1 6 1883 1 1 17 LEU HB2 H 1.635 2.346 2.550 1.00 . A A . 17 LEU HB2 1 1 6 1884 1 1 17 LEU HB3 H 1.498 3.917 3.296 1.00 . A A . 17 LEU HB3 1 1 6 1885 1 1 17 LEU HD11 H 3.480 5.528 2.727 1.00 . A A . 17 LEU HD11 1 1 6 1886 1 1 17 LEU HD12 H 4.044 5.526 1.057 1.00 . A A . 17 LEU HD12 1 1 6 1887 1 1 17 LEU HD13 H 4.712 4.376 2.214 1.00 . A A . 17 LEU HD13 1 1 6 1888 1 1 17 LEU HD21 H 4.360 3.037 0.449 1.00 . A A . 17 LEU HD21 1 1 6 1889 1 1 17 LEU HD22 H 2.780 2.806 -0.301 1.00 . A A . 17 LEU HD22 1 1 6 1890 1 1 17 LEU HD23 H 3.231 1.859 1.117 1.00 . A A . 17 LEU HD23 1 1 6 1891 1 1 17 LEU HG H 1.935 4.415 1.025 1.00 . A A . 17 LEU HG 1 1 6 1892 1 1 17 LEU N N 4.119 1.838 3.137 1.00 . A A . 17 LEU N 1 1 6 1893 1 1 17 LEU O O 1.519 2.294 5.254 1.00 . A A . 17 LEU O 1 1 6 1894 1 1 18 ASP C C 1.905 0.648 7.176 1.00 . A A . 18 ASP C 1 1 6 1895 1 1 18 ASP CA C 3.072 1.624 7.368 1.00 . A A . 18 ASP CA 1 1 6 1896 1 1 18 ASP CB C 2.600 2.823 8.192 1.00 . A A . 18 ASP CB 1 1 6 1897 1 1 18 ASP CG C 1.831 2.333 9.420 1.00 . A A . 18 ASP CG 1 1 6 1898 1 1 18 ASP H H 4.519 2.208 5.888 1.00 . A A . 18 ASP H 1 1 6 1899 1 1 18 ASP HA H 3.877 1.129 7.890 1.00 . A A . 18 ASP HA 1 1 6 1900 1 1 18 ASP HB2 H 3.456 3.401 8.509 1.00 . A A . 18 ASP HB2 1 1 6 1901 1 1 18 ASP HB3 H 1.953 3.441 7.588 1.00 . A A . 18 ASP HB3 1 1 6 1902 1 1 18 ASP N N 3.561 2.104 6.043 1.00 . A A . 18 ASP N 1 1 6 1903 1 1 18 ASP O O 0.757 1.003 7.354 1.00 . A A . 18 ASP O 1 1 6 1904 1 1 18 ASP OD1 O 2.475 1.966 10.390 1.00 . A A . 18 ASP OD1 1 1 6 1905 1 1 18 ASP OD2 O 0.612 2.330 9.371 1.00 . A A . 18 ASP OD2 1 1 6 1906 1 1 19 ILE C C 0.366 -1.786 7.965 1.00 . A A . 19 ILE C 1 1 6 1907 1 1 19 ILE CA C 1.082 -1.560 6.630 1.00 . A A . 19 ILE CA 1 1 6 1908 1 1 19 ILE CB C 1.664 -2.887 6.110 1.00 . A A . 19 ILE CB 1 1 6 1909 1 1 19 ILE CD1 C 2.623 -5.105 6.763 1.00 . A A . 19 ILE CD1 1 1 6 1910 1 1 19 ILE CG1 C 2.179 -3.738 7.278 1.00 . A A . 19 ILE CG1 1 1 6 1911 1 1 19 ILE CG2 C 2.825 -2.597 5.157 1.00 . A A . 19 ILE CG2 1 1 6 1912 1 1 19 ILE H H 3.111 -0.856 6.683 1.00 . A A . 19 ILE H 1 1 6 1913 1 1 19 ILE HA H 0.377 -1.172 5.910 1.00 . A A . 19 ILE HA 1 1 6 1914 1 1 19 ILE HB H 0.899 -3.429 5.579 1.00 . A A . 19 ILE HB 1 1 6 1915 1 1 19 ILE HD11 H 3.376 -4.975 6.001 1.00 . A A . 19 ILE HD11 1 1 6 1916 1 1 19 ILE HD12 H 1.773 -5.625 6.346 1.00 . A A . 19 ILE HD12 1 1 6 1917 1 1 19 ILE HD13 H 3.033 -5.681 7.580 1.00 . A A . 19 ILE HD13 1 1 6 1918 1 1 19 ILE HG12 H 3.014 -3.239 7.746 1.00 . A A . 19 ILE HG12 1 1 6 1919 1 1 19 ILE HG13 H 1.389 -3.872 8.001 1.00 . A A . 19 ILE HG13 1 1 6 1920 1 1 19 ILE HG21 H 3.758 -2.839 5.643 1.00 . A A . 19 ILE HG21 1 1 6 1921 1 1 19 ILE HG22 H 2.817 -1.551 4.890 1.00 . A A . 19 ILE HG22 1 1 6 1922 1 1 19 ILE HG23 H 2.716 -3.198 4.265 1.00 . A A . 19 ILE HG23 1 1 6 1923 1 1 19 ILE N N 2.183 -0.579 6.821 1.00 . A A . 19 ILE N 1 1 6 1924 1 1 19 ILE O O 0.985 -2.085 8.967 1.00 . A A . 19 ILE O 1 1 6 1925 1 1 20 ILE C C -2.606 -3.057 9.138 1.00 . A A . 20 ILE C 1 1 6 1926 1 1 20 ILE CA C -1.659 -1.866 9.278 1.00 . A A . 20 ILE CA 1 1 6 1927 1 1 20 ILE CB C -2.456 -0.614 9.636 1.00 . A A . 20 ILE CB 1 1 6 1928 1 1 20 ILE CD1 C -0.530 -0.054 11.130 1.00 . A A . 20 ILE CD1 1 1 6 1929 1 1 20 ILE CG1 C -1.496 0.491 10.077 1.00 . A A . 20 ILE CG1 1 1 6 1930 1 1 20 ILE CG2 C -3.424 -0.931 10.779 1.00 . A A . 20 ILE CG2 1 1 6 1931 1 1 20 ILE H H -1.424 -1.401 7.179 1.00 . A A . 20 ILE H 1 1 6 1932 1 1 20 ILE HA H -0.945 -2.077 10.062 1.00 . A A . 20 ILE HA 1 1 6 1933 1 1 20 ILE HB H -3.017 -0.285 8.773 1.00 . A A . 20 ILE HB 1 1 6 1934 1 1 20 ILE HD11 H 0.262 -0.603 10.642 1.00 . A A . 20 ILE HD11 1 1 6 1935 1 1 20 ILE HD12 H -1.062 -0.712 11.801 1.00 . A A . 20 ILE HD12 1 1 6 1936 1 1 20 ILE HD13 H -0.106 0.766 11.691 1.00 . A A . 20 ILE HD13 1 1 6 1937 1 1 20 ILE HG12 H -0.936 0.844 9.222 1.00 . A A . 20 ILE HG12 1 1 6 1938 1 1 20 ILE HG13 H -2.060 1.304 10.500 1.00 . A A . 20 ILE HG13 1 1 6 1939 1 1 20 ILE HG21 H -3.143 -1.868 11.238 1.00 . A A . 20 ILE HG21 1 1 6 1940 1 1 20 ILE HG22 H -4.428 -1.008 10.390 1.00 . A A . 20 ILE HG22 1 1 6 1941 1 1 20 ILE HG23 H -3.382 -0.142 11.515 1.00 . A A . 20 ILE HG23 1 1 6 1942 1 1 20 ILE N N -0.931 -1.649 7.995 1.00 . A A . 20 ILE N 1 1 6 1943 1 1 20 ILE O O -3.797 -2.900 8.957 1.00 . A A . 20 ILE O 1 1 6 1944 1 1 21 TRP C C -4.085 -5.374 10.131 1.00 . A A . 21 TRP C 1 1 6 1945 1 1 21 TRP CA C -2.958 -5.451 9.100 1.00 . A A . 21 TRP CA 1 1 6 1946 1 1 21 TRP CB C -2.160 -6.748 9.319 1.00 . A A . 21 TRP CB 1 1 6 1947 1 1 21 TRP CD1 C 0.196 -7.253 10.073 1.00 . A A . 21 TRP CD1 1 1 6 1948 1 1 21 TRP CD2 C -0.704 -5.547 11.232 1.00 . A A . 21 TRP CD2 1 1 6 1949 1 1 21 TRP CE2 C 0.606 -5.738 11.735 1.00 . A A . 21 TRP CE2 1 1 6 1950 1 1 21 TRP CE3 C -1.483 -4.523 11.799 1.00 . A A . 21 TRP CE3 1 1 6 1951 1 1 21 TRP CG C -0.940 -6.521 10.168 1.00 . A A . 21 TRP CG 1 1 6 1952 1 1 21 TRP CH2 C 0.329 -3.936 13.314 1.00 . A A . 21 TRP CH2 1 1 6 1953 1 1 21 TRP CZ2 C 1.120 -4.947 12.763 1.00 . A A . 21 TRP CZ2 1 1 6 1954 1 1 21 TRP CZ3 C -0.970 -3.725 12.835 1.00 . A A . 21 TRP CZ3 1 1 6 1955 1 1 21 TRP H H -1.122 -4.345 9.370 1.00 . A A . 21 TRP H 1 1 6 1956 1 1 21 TRP HA H -3.391 -5.467 8.110 1.00 . A A . 21 TRP HA 1 1 6 1957 1 1 21 TRP HB2 H -2.795 -7.471 9.808 1.00 . A A . 21 TRP HB2 1 1 6 1958 1 1 21 TRP HB3 H -1.857 -7.140 8.359 1.00 . A A . 21 TRP HB3 1 1 6 1959 1 1 21 TRP HD1 H 0.360 -8.069 9.383 1.00 . A A . 21 TRP HD1 1 1 6 1960 1 1 21 TRP HE1 H 2.014 -7.146 11.129 1.00 . A A . 21 TRP HE1 1 1 6 1961 1 1 21 TRP HE3 H -2.482 -4.349 11.436 1.00 . A A . 21 TRP HE3 1 1 6 1962 1 1 21 TRP HH2 H 0.720 -3.319 14.110 1.00 . A A . 21 TRP HH2 1 1 6 1963 1 1 21 TRP HZ2 H 2.122 -5.115 13.126 1.00 . A A . 21 TRP HZ2 1 1 6 1964 1 1 21 TRP HZ3 H -1.579 -2.943 13.262 1.00 . A A . 21 TRP HZ3 1 1 6 1965 1 1 21 TRP N N -2.083 -4.248 9.225 1.00 . A A . 21 TRP N 1 1 6 1966 1 1 21 TRP NE1 N 1.111 -6.788 10.997 1.00 . A A . 21 TRP NE1 1 1 6 1967 1 1 21 TRP O O -5.089 -4.745 9.836 1.00 . A A . 21 TRP O 1 1 6 1968 1 1 21 TRP OXT O -3.927 -5.945 11.197 1.00 . A A . 21 TRP OXT 1 1 7 1969 1 1 1 CYS C C 5.938 -2.207 -5.197 1.00 . A A . 1 CYS C 1 1 7 1970 1 1 1 CYS CA C 6.660 -1.626 -3.980 1.00 . A A . 1 CYS CA 1 1 7 1971 1 1 1 CYS CB C 7.419 -0.362 -4.391 1.00 . A A . 1 CYS CB 1 1 7 1972 1 1 1 CYS H1 H 7.537 -3.515 -3.987 1.00 . A A . 1 CYS H1 1 1 7 1973 1 1 1 CYS H2 H 7.413 -2.815 -2.444 1.00 . A A . 1 CYS H2 1 1 7 1974 1 1 1 CYS H3 H 8.592 -2.265 -3.538 1.00 . A A . 1 CYS H3 1 1 7 1975 1 1 1 CYS HA H 5.938 -1.381 -3.216 1.00 . A A . 1 CYS HA 1 1 7 1976 1 1 1 CYS HB2 H 8.479 -0.562 -4.390 1.00 . A A . 1 CYS HB2 1 1 7 1977 1 1 1 CYS HB3 H 7.109 -0.063 -5.381 1.00 . A A . 1 CYS HB3 1 1 7 1978 1 1 1 CYS N N 7.624 -2.631 -3.447 1.00 . A A . 1 CYS N 1 1 7 1979 1 1 1 CYS O O 6.492 -2.294 -6.275 1.00 . A A . 1 CYS O 1 1 7 1980 1 1 1 CYS SG S 7.055 0.970 -3.219 1.00 . A A . 1 CYS SG 1 1 7 1981 1 1 2 SER C C 2.455 -3.171 -5.875 1.00 . A A . 2 SER C 1 1 7 1982 1 1 2 SER CA C 3.953 -3.180 -6.184 1.00 . A A . 2 SER CA 1 1 7 1983 1 1 2 SER CB C 4.415 -4.616 -6.427 1.00 . A A . 2 SER CB 1 1 7 1984 1 1 2 SER H H 4.277 -2.527 -4.157 1.00 . A A . 2 SER H 1 1 7 1985 1 1 2 SER HA H 4.142 -2.587 -7.066 1.00 . A A . 2 SER HA 1 1 7 1986 1 1 2 SER HB2 H 4.035 -5.256 -5.649 1.00 . A A . 2 SER HB2 1 1 7 1987 1 1 2 SER HB3 H 4.040 -4.956 -7.385 1.00 . A A . 2 SER HB3 1 1 7 1988 1 1 2 SER HG H 6.151 -4.261 -7.231 1.00 . A A . 2 SER HG 1 1 7 1989 1 1 2 SER N N 4.706 -2.605 -5.034 1.00 . A A . 2 SER N 1 1 7 1990 1 1 2 SER O O 1.926 -4.097 -5.293 1.00 . A A . 2 SER O 1 1 7 1991 1 1 2 SER OG O 5.836 -4.662 -6.418 1.00 . A A . 2 SER OG 1 1 7 1992 1 1 3 CYS C C -0.407 -1.534 -7.255 1.00 . A A . 3 CYS C 1 1 7 1993 1 1 3 CYS CA C 0.300 -2.069 -6.002 1.00 . A A . 3 CYS CA 1 1 7 1994 1 1 3 CYS CB C 0.039 -1.136 -4.808 1.00 . A A . 3 CYS CB 1 1 7 1995 1 1 3 CYS H H 2.211 -1.400 -6.738 1.00 . A A . 3 CYS H 1 1 7 1996 1 1 3 CYS HA H -0.064 -3.060 -5.774 1.00 . A A . 3 CYS HA 1 1 7 1997 1 1 3 CYS HB2 H 0.272 -1.657 -3.891 1.00 . A A . 3 CYS HB2 1 1 7 1998 1 1 3 CYS HB3 H 0.666 -0.261 -4.892 1.00 . A A . 3 CYS HB3 1 1 7 1999 1 1 3 CYS N N 1.766 -2.134 -6.266 1.00 . A A . 3 CYS N 1 1 7 2000 1 1 3 CYS O O 0.208 -0.935 -8.115 1.00 . A A . 3 CYS O 1 1 7 2001 1 1 3 CYS SG S -1.701 -0.632 -4.769 1.00 . A A . 3 CYS SG 1 1 7 2002 1 1 4 SER C C -2.246 0.276 -8.658 1.00 . A A . 4 SER C 1 1 7 2003 1 1 4 SER CA C -2.426 -1.237 -8.558 1.00 . A A . 4 SER CA 1 1 7 2004 1 1 4 SER CB C -3.913 -1.568 -8.420 1.00 . A A . 4 SER CB 1 1 7 2005 1 1 4 SER H H -2.173 -2.219 -6.658 1.00 . A A . 4 SER H 1 1 7 2006 1 1 4 SER HA H -2.034 -1.705 -9.446 1.00 . A A . 4 SER HA 1 1 7 2007 1 1 4 SER HB2 H -4.088 -2.587 -8.724 1.00 . A A . 4 SER HB2 1 1 7 2008 1 1 4 SER HB3 H -4.214 -1.445 -7.388 1.00 . A A . 4 SER HB3 1 1 7 2009 1 1 4 SER HG H -4.135 -0.492 -10.027 1.00 . A A . 4 SER HG 1 1 7 2010 1 1 4 SER N N -1.692 -1.740 -7.364 1.00 . A A . 4 SER N 1 1 7 2011 1 1 4 SER O O -1.772 0.793 -9.649 1.00 . A A . 4 SER O 1 1 7 2012 1 1 4 SER OG O -4.667 -0.697 -9.253 1.00 . A A . 4 SER OG 1 1 7 2013 1 1 5 SER C C -1.843 2.916 -6.315 1.00 . A A . 5 SER C 1 1 7 2014 1 1 5 SER CA C -2.459 2.465 -7.650 1.00 . A A . 5 SER CA 1 1 7 2015 1 1 5 SER CB C -3.832 3.118 -7.852 1.00 . A A . 5 SER CB 1 1 7 2016 1 1 5 SER H H -2.987 0.542 -6.842 1.00 . A A . 5 SER H 1 1 7 2017 1 1 5 SER HA H -1.808 2.739 -8.469 1.00 . A A . 5 SER HA 1 1 7 2018 1 1 5 SER HB2 H -3.831 3.687 -8.766 1.00 . A A . 5 SER HB2 1 1 7 2019 1 1 5 SER HB3 H -4.589 2.347 -7.914 1.00 . A A . 5 SER HB3 1 1 7 2020 1 1 5 SER HG H -4.016 4.891 -7.069 1.00 . A A . 5 SER HG 1 1 7 2021 1 1 5 SER N N -2.614 0.985 -7.631 1.00 . A A . 5 SER N 1 1 7 2022 1 1 5 SER O O -2.399 2.684 -5.259 1.00 . A A . 5 SER O 1 1 7 2023 1 1 5 SER OG O -4.113 3.987 -6.760 1.00 . A A . 5 SER OG 1 1 7 2024 1 1 6 LEU C C -0.931 4.896 -4.252 1.00 . A A . 6 LEU C 1 1 7 2025 1 1 6 LEU CA C -0.024 3.964 -5.078 1.00 . A A . 6 LEU CA 1 1 7 2026 1 1 6 LEU CB C 1.284 4.695 -5.405 1.00 . A A . 6 LEU CB 1 1 7 2027 1 1 6 LEU CD1 C 2.353 2.732 -6.531 1.00 . A A . 6 LEU CD1 1 1 7 2028 1 1 6 LEU CD2 C 3.772 4.457 -5.410 1.00 . A A . 6 LEU CD2 1 1 7 2029 1 1 6 LEU CG C 2.444 3.698 -5.349 1.00 . A A . 6 LEU CG 1 1 7 2030 1 1 6 LEU H H -0.246 3.687 -7.209 1.00 . A A . 6 LEU H 1 1 7 2031 1 1 6 LEU HA H 0.212 3.087 -4.490 1.00 . A A . 6 LEU HA 1 1 7 2032 1 1 6 LEU HB2 H 1.229 5.130 -6.392 1.00 . A A . 6 LEU HB2 1 1 7 2033 1 1 6 LEU HB3 H 1.451 5.474 -4.678 1.00 . A A . 6 LEU HB3 1 1 7 2034 1 1 6 LEU HD11 H 1.319 2.597 -6.808 1.00 . A A . 6 LEU HD11 1 1 7 2035 1 1 6 LEU HD12 H 2.778 1.779 -6.251 1.00 . A A . 6 LEU HD12 1 1 7 2036 1 1 6 LEU HD13 H 2.900 3.137 -7.370 1.00 . A A . 6 LEU HD13 1 1 7 2037 1 1 6 LEU HD21 H 4.591 3.756 -5.336 1.00 . A A . 6 LEU HD21 1 1 7 2038 1 1 6 LEU HD22 H 3.824 5.159 -4.592 1.00 . A A . 6 LEU HD22 1 1 7 2039 1 1 6 LEU HD23 H 3.838 4.989 -6.347 1.00 . A A . 6 LEU HD23 1 1 7 2040 1 1 6 LEU HG H 2.389 3.139 -4.427 1.00 . A A . 6 LEU HG 1 1 7 2041 1 1 6 LEU N N -0.689 3.530 -6.349 1.00 . A A . 6 LEU N 1 1 7 2042 1 1 6 LEU O O -0.668 5.145 -3.093 1.00 . A A . 6 LEU O 1 1 7 2043 1 1 7 MET C C -3.922 5.564 -3.267 1.00 . A A . 7 MET C 1 1 7 2044 1 1 7 MET CA C -2.860 6.353 -4.047 1.00 . A A . 7 MET CA 1 1 7 2045 1 1 7 MET CB C -3.548 7.328 -5.011 1.00 . A A . 7 MET CB 1 1 7 2046 1 1 7 MET CE C -3.559 10.190 -6.011 1.00 . A A . 7 MET CE 1 1 7 2047 1 1 7 MET CG C -4.396 8.329 -4.221 1.00 . A A . 7 MET CG 1 1 7 2048 1 1 7 MET H H -2.182 5.244 -5.759 1.00 . A A . 7 MET H 1 1 7 2049 1 1 7 MET HA H -2.252 6.912 -3.351 1.00 . A A . 7 MET HA 1 1 7 2050 1 1 7 MET HB2 H -2.798 7.862 -5.577 1.00 . A A . 7 MET HB2 1 1 7 2051 1 1 7 MET HB3 H -4.185 6.780 -5.689 1.00 . A A . 7 MET HB3 1 1 7 2052 1 1 7 MET HE1 H -3.732 11.166 -6.444 1.00 . A A . 7 MET HE1 1 1 7 2053 1 1 7 MET HE2 H -3.179 9.525 -6.769 1.00 . A A . 7 MET HE2 1 1 7 2054 1 1 7 MET HE3 H -2.838 10.267 -5.209 1.00 . A A . 7 MET HE3 1 1 7 2055 1 1 7 MET HG2 H -5.188 7.805 -3.705 1.00 . A A . 7 MET HG2 1 1 7 2056 1 1 7 MET HG3 H -3.773 8.839 -3.501 1.00 . A A . 7 MET HG3 1 1 7 2057 1 1 7 MET N N -1.980 5.431 -4.825 1.00 . A A . 7 MET N 1 1 7 2058 1 1 7 MET O O -4.674 6.126 -2.496 1.00 . A A . 7 MET O 1 1 7 2059 1 1 7 MET SD S -5.116 9.539 -5.358 1.00 . A A . 7 MET SD 1 1 7 2060 1 1 8 ASP C C -4.739 3.567 -1.205 1.00 . A A . 8 ASP C 1 1 7 2061 1 1 8 ASP CA C -5.017 3.475 -2.707 1.00 . A A . 8 ASP CA 1 1 7 2062 1 1 8 ASP CB C -4.952 2.007 -3.143 1.00 . A A . 8 ASP CB 1 1 7 2063 1 1 8 ASP CG C -6.343 1.380 -3.026 1.00 . A A . 8 ASP CG 1 1 7 2064 1 1 8 ASP H H -3.388 3.828 -4.074 1.00 . A A . 8 ASP H 1 1 7 2065 1 1 8 ASP HA H -6.001 3.869 -2.915 1.00 . A A . 8 ASP HA 1 1 7 2066 1 1 8 ASP HB2 H -4.617 1.947 -4.167 1.00 . A A . 8 ASP HB2 1 1 7 2067 1 1 8 ASP HB3 H -4.265 1.473 -2.507 1.00 . A A . 8 ASP HB3 1 1 7 2068 1 1 8 ASP N N -3.997 4.272 -3.452 1.00 . A A . 8 ASP N 1 1 7 2069 1 1 8 ASP O O -4.000 4.417 -0.750 1.00 . A A . 8 ASP O 1 1 7 2070 1 1 8 ASP OD1 O -7.175 1.953 -2.343 1.00 . A A . 8 ASP OD1 1 1 7 2071 1 1 8 ASP OD2 O -6.551 0.335 -3.623 1.00 . A A . 8 ASP OD2 1 1 7 2072 1 1 9 LYS C C -4.416 1.429 1.501 1.00 . A A . 9 LYS C 1 1 7 2073 1 1 9 LYS CA C -5.101 2.731 1.046 1.00 . A A . 9 LYS CA 1 1 7 2074 1 1 9 LYS CB C -6.444 2.903 1.773 1.00 . A A . 9 LYS CB 1 1 7 2075 1 1 9 LYS CD C -6.551 5.405 1.630 1.00 . A A . 9 LYS CD 1 1 7 2076 1 1 9 LYS CE C -5.655 5.934 0.508 1.00 . A A . 9 LYS CE 1 1 7 2077 1 1 9 LYS CG C -7.214 4.098 1.187 1.00 . A A . 9 LYS CG 1 1 7 2078 1 1 9 LYS H H -5.920 2.023 -0.821 1.00 . A A . 9 LYS H 1 1 7 2079 1 1 9 LYS HA H -4.456 3.565 1.286 1.00 . A A . 9 LYS HA 1 1 7 2080 1 1 9 LYS HB2 H -7.034 2.006 1.657 1.00 . A A . 9 LYS HB2 1 1 7 2081 1 1 9 LYS HB3 H -6.264 3.080 2.824 1.00 . A A . 9 LYS HB3 1 1 7 2082 1 1 9 LYS HD2 H -7.315 6.136 1.856 1.00 . A A . 9 LYS HD2 1 1 7 2083 1 1 9 LYS HD3 H -5.955 5.226 2.511 1.00 . A A . 9 LYS HD3 1 1 7 2084 1 1 9 LYS HE2 H -4.622 5.743 0.754 1.00 . A A . 9 LYS HE2 1 1 7 2085 1 1 9 LYS HE3 H -5.904 5.435 -0.416 1.00 . A A . 9 LYS HE3 1 1 7 2086 1 1 9 LYS HG2 H -7.212 4.038 0.107 1.00 . A A . 9 LYS HG2 1 1 7 2087 1 1 9 LYS HG3 H -8.235 4.081 1.543 1.00 . A A . 9 LYS HG3 1 1 7 2088 1 1 9 LYS HZ1 H -6.049 7.621 -0.645 1.00 . A A . 9 LYS HZ1 1 1 7 2089 1 1 9 LYS HZ2 H -5.017 7.908 0.673 1.00 . A A . 9 LYS HZ2 1 1 7 2090 1 1 9 LYS HZ3 H -6.683 7.696 0.926 1.00 . A A . 9 LYS HZ3 1 1 7 2091 1 1 9 LYS N N -5.329 2.697 -0.430 1.00 . A A . 9 LYS N 1 1 7 2092 1 1 9 LYS NZ N -5.867 7.401 0.355 1.00 . A A . 9 LYS NZ 1 1 7 2093 1 1 9 LYS O O -3.242 1.421 1.807 1.00 . A A . 9 LYS O 1 1 7 2094 1 1 10 GLU C C -3.557 -1.460 0.924 1.00 . A A . 10 GLU C 1 1 7 2095 1 1 10 GLU CA C -4.497 -0.941 2.003 1.00 . A A . 10 GLU CA 1 1 7 2096 1 1 10 GLU CB C -5.583 -1.983 2.260 1.00 . A A . 10 GLU CB 1 1 7 2097 1 1 10 GLU CD C -7.013 -3.019 4.020 1.00 . A A . 10 GLU CD 1 1 7 2098 1 1 10 GLU CG C -5.927 -1.979 3.741 1.00 . A A . 10 GLU CG 1 1 7 2099 1 1 10 GLU H H -6.075 0.341 1.323 1.00 . A A . 10 GLU H 1 1 7 2100 1 1 10 GLU HA H -3.942 -0.769 2.910 1.00 . A A . 10 GLU HA 1 1 7 2101 1 1 10 GLU HB2 H -6.463 -1.738 1.681 1.00 . A A . 10 GLU HB2 1 1 7 2102 1 1 10 GLU HB3 H -5.223 -2.960 1.975 1.00 . A A . 10 GLU HB3 1 1 7 2103 1 1 10 GLU HG2 H -5.040 -2.217 4.309 1.00 . A A . 10 GLU HG2 1 1 7 2104 1 1 10 GLU HG3 H -6.283 -1.001 4.019 1.00 . A A . 10 GLU HG3 1 1 7 2105 1 1 10 GLU N N -5.129 0.332 1.560 1.00 . A A . 10 GLU N 1 1 7 2106 1 1 10 GLU O O -2.537 -2.056 1.210 1.00 . A A . 10 GLU O 1 1 7 2107 1 1 10 GLU OE1 O -6.998 -4.052 3.372 1.00 . A A . 10 GLU OE1 1 1 7 2108 1 1 10 GLU OE2 O -7.842 -2.764 4.879 1.00 . A A . 10 GLU OE2 1 1 7 2109 1 1 11 CYS C C -1.737 -0.838 -1.406 1.00 . A A . 11 CYS C 1 1 7 2110 1 1 11 CYS CA C -2.989 -1.710 -1.399 1.00 . A A . 11 CYS CA 1 1 7 2111 1 1 11 CYS CB C -3.715 -1.599 -2.741 1.00 . A A . 11 CYS CB 1 1 7 2112 1 1 11 CYS H H -4.697 -0.740 -0.527 1.00 . A A . 11 CYS H 1 1 7 2113 1 1 11 CYS HA H -2.717 -2.737 -1.212 1.00 . A A . 11 CYS HA 1 1 7 2114 1 1 11 CYS HB2 H -4.635 -2.164 -2.700 1.00 . A A . 11 CYS HB2 1 1 7 2115 1 1 11 CYS HB3 H -3.939 -0.562 -2.944 1.00 . A A . 11 CYS HB3 1 1 7 2116 1 1 11 CYS N N -3.879 -1.233 -0.315 1.00 . A A . 11 CYS N 1 1 7 2117 1 1 11 CYS O O -0.759 -1.127 -2.066 1.00 . A A . 11 CYS O 1 1 7 2118 1 1 11 CYS SG S -2.663 -2.256 -4.056 1.00 . A A . 11 CYS SG 1 1 7 2119 1 1 12 VAL C C 0.416 0.633 0.413 1.00 . A A . 12 VAL C 1 1 7 2120 1 1 12 VAL CA C -0.613 1.155 -0.603 1.00 . A A . 12 VAL CA 1 1 7 2121 1 1 12 VAL CB C -1.130 2.534 -0.183 1.00 . A A . 12 VAL CB 1 1 7 2122 1 1 12 VAL CG1 C 0.001 3.370 0.393 1.00 . A A . 12 VAL CG1 1 1 7 2123 1 1 12 VAL CG2 C -1.715 3.240 -1.404 1.00 . A A . 12 VAL CG2 1 1 7 2124 1 1 12 VAL H H -2.580 0.443 -0.152 1.00 . A A . 12 VAL H 1 1 7 2125 1 1 12 VAL HA H -0.153 1.226 -1.575 1.00 . A A . 12 VAL HA 1 1 7 2126 1 1 12 VAL HB H -1.899 2.419 0.563 1.00 . A A . 12 VAL HB 1 1 7 2127 1 1 12 VAL HG11 H -0.394 4.312 0.741 1.00 . A A . 12 VAL HG11 1 1 7 2128 1 1 12 VAL HG12 H 0.741 3.544 -0.371 1.00 . A A . 12 VAL HG12 1 1 7 2129 1 1 12 VAL HG13 H 0.449 2.839 1.220 1.00 . A A . 12 VAL HG13 1 1 7 2130 1 1 12 VAL HG21 H -2.616 2.732 -1.714 1.00 . A A . 12 VAL HG21 1 1 7 2131 1 1 12 VAL HG22 H -0.996 3.220 -2.209 1.00 . A A . 12 VAL HG22 1 1 7 2132 1 1 12 VAL HG23 H -1.946 4.263 -1.151 1.00 . A A . 12 VAL HG23 1 1 7 2133 1 1 12 VAL N N -1.774 0.234 -0.667 1.00 . A A . 12 VAL N 1 1 7 2134 1 1 12 VAL O O 1.607 0.783 0.229 1.00 . A A . 12 VAL O 1 1 7 2135 1 1 13 TYR C C 2.014 -1.331 1.831 1.00 . A A . 13 TYR C 1 1 7 2136 1 1 13 TYR CA C 0.928 -0.490 2.501 1.00 . A A . 13 TYR CA 1 1 7 2137 1 1 13 TYR CB C 0.170 -1.361 3.503 1.00 . A A . 13 TYR CB 1 1 7 2138 1 1 13 TYR CD1 C -0.873 0.823 4.208 1.00 . A A . 13 TYR CD1 1 1 7 2139 1 1 13 TYR CD2 C -2.117 -1.230 4.550 1.00 . A A . 13 TYR CD2 1 1 7 2140 1 1 13 TYR CE1 C -1.928 1.555 4.763 1.00 . A A . 13 TYR CE1 1 1 7 2141 1 1 13 TYR CE2 C -3.173 -0.497 5.105 1.00 . A A . 13 TYR CE2 1 1 7 2142 1 1 13 TYR CG C -0.966 -0.571 4.101 1.00 . A A . 13 TYR CG 1 1 7 2143 1 1 13 TYR CZ C -3.079 0.895 5.213 1.00 . A A . 13 TYR CZ 1 1 7 2144 1 1 13 TYR H H -0.990 -0.084 1.618 1.00 . A A . 13 TYR H 1 1 7 2145 1 1 13 TYR HA H 1.384 0.339 3.021 1.00 . A A . 13 TYR HA 1 1 7 2146 1 1 13 TYR HB2 H -0.223 -2.231 2.997 1.00 . A A . 13 TYR HB2 1 1 7 2147 1 1 13 TYR HB3 H 0.841 -1.674 4.286 1.00 . A A . 13 TYR HB3 1 1 7 2148 1 1 13 TYR HD1 H 0.014 1.332 3.861 1.00 . A A . 13 TYR HD1 1 1 7 2149 1 1 13 TYR HD2 H -2.190 -2.305 4.467 1.00 . A A . 13 TYR HD2 1 1 7 2150 1 1 13 TYR HE1 H -1.856 2.630 4.846 1.00 . A A . 13 TYR HE1 1 1 7 2151 1 1 13 TYR HE2 H -4.060 -1.008 5.452 1.00 . A A . 13 TYR HE2 1 1 7 2152 1 1 13 TYR HH H -3.768 2.141 6.484 1.00 . A A . 13 TYR HH 1 1 7 2153 1 1 13 TYR N N -0.028 0.028 1.481 1.00 . A A . 13 TYR N 1 1 7 2154 1 1 13 TYR O O 3.107 -1.474 2.344 1.00 . A A . 13 TYR O 1 1 7 2155 1 1 13 TYR OH O -4.119 1.617 5.760 1.00 . A A . 13 TYR OH 1 1 7 2156 1 1 14 PHE C C 3.942 -1.909 -0.402 1.00 . A A . 14 PHE C 1 1 7 2157 1 1 14 PHE CA C 2.732 -2.752 0.011 1.00 . A A . 14 PHE CA 1 1 7 2158 1 1 14 PHE CB C 2.093 -3.387 -1.223 1.00 . A A . 14 PHE CB 1 1 7 2159 1 1 14 PHE CD1 C 0.589 -4.474 0.483 1.00 . A A . 14 PHE CD1 1 1 7 2160 1 1 14 PHE CD2 C -0.256 -4.127 -1.763 1.00 . A A . 14 PHE CD2 1 1 7 2161 1 1 14 PHE CE1 C -0.630 -5.051 0.855 1.00 . A A . 14 PHE CE1 1 1 7 2162 1 1 14 PHE CE2 C -1.476 -4.706 -1.390 1.00 . A A . 14 PHE CE2 1 1 7 2163 1 1 14 PHE CG C 0.777 -4.010 -0.826 1.00 . A A . 14 PHE CG 1 1 7 2164 1 1 14 PHE CZ C -1.662 -5.167 -0.081 1.00 . A A . 14 PHE CZ 1 1 7 2165 1 1 14 PHE H H 0.830 -1.788 0.308 1.00 . A A . 14 PHE H 1 1 7 2166 1 1 14 PHE HA H 3.054 -3.531 0.684 1.00 . A A . 14 PHE HA 1 1 7 2167 1 1 14 PHE HB2 H 1.924 -2.628 -1.974 1.00 . A A . 14 PHE HB2 1 1 7 2168 1 1 14 PHE HB3 H 2.748 -4.148 -1.619 1.00 . A A . 14 PHE HB3 1 1 7 2169 1 1 14 PHE HD1 H 1.387 -4.384 1.207 1.00 . A A . 14 PHE HD1 1 1 7 2170 1 1 14 PHE HD2 H -0.113 -3.771 -2.772 1.00 . A A . 14 PHE HD2 1 1 7 2171 1 1 14 PHE HE1 H -0.773 -5.407 1.865 1.00 . A A . 14 PHE HE1 1 1 7 2172 1 1 14 PHE HE2 H -2.274 -4.796 -2.112 1.00 . A A . 14 PHE HE2 1 1 7 2173 1 1 14 PHE HZ H -2.603 -5.613 0.206 1.00 . A A . 14 PHE HZ 1 1 7 2174 1 1 14 PHE N N 1.720 -1.904 0.699 1.00 . A A . 14 PHE N 1 1 7 2175 1 1 14 PHE O O 5.053 -2.396 -0.464 1.00 . A A . 14 PHE O 1 1 7 2176 1 1 15 CYS C C 5.641 0.720 0.150 1.00 . A A . 15 CYS C 1 1 7 2177 1 1 15 CYS CA C 4.889 0.212 -1.090 1.00 . A A . 15 CYS CA 1 1 7 2178 1 1 15 CYS CB C 4.368 1.406 -1.891 1.00 . A A . 15 CYS CB 1 1 7 2179 1 1 15 CYS H H 2.840 -0.275 -0.634 1.00 . A A . 15 CYS H 1 1 7 2180 1 1 15 CYS HA H 5.565 -0.362 -1.706 1.00 . A A . 15 CYS HA 1 1 7 2181 1 1 15 CYS HB2 H 3.295 1.340 -1.978 1.00 . A A . 15 CYS HB2 1 1 7 2182 1 1 15 CYS HB3 H 4.631 2.322 -1.384 1.00 . A A . 15 CYS HB3 1 1 7 2183 1 1 15 CYS N N 3.742 -0.651 -0.683 1.00 . A A . 15 CYS N 1 1 7 2184 1 1 15 CYS O O 6.324 1.722 0.096 1.00 . A A . 15 CYS O 1 1 7 2185 1 1 15 CYS SG S 5.107 1.397 -3.543 1.00 . A A . 15 CYS SG 1 1 7 2186 1 1 16 HIS C C 5.504 1.660 3.138 1.00 . A A . 16 HIS C 1 1 7 2187 1 1 16 HIS CA C 6.250 0.486 2.494 1.00 . A A . 16 HIS CA 1 1 7 2188 1 1 16 HIS CB C 7.667 0.928 2.123 1.00 . A A . 16 HIS CB 1 1 7 2189 1 1 16 HIS CD2 C 8.761 -0.687 3.884 1.00 . A A . 16 HIS CD2 1 1 7 2190 1 1 16 HIS CE1 C 10.289 0.654 4.634 1.00 . A A . 16 HIS CE1 1 1 7 2191 1 1 16 HIS CG C 8.624 0.494 3.199 1.00 . A A . 16 HIS CG 1 1 7 2192 1 1 16 HIS H H 4.980 -0.770 1.292 1.00 . A A . 16 HIS H 1 1 7 2193 1 1 16 HIS HA H 6.306 -0.335 3.195 1.00 . A A . 16 HIS HA 1 1 7 2194 1 1 16 HIS HB2 H 7.951 0.475 1.184 1.00 . A A . 16 HIS HB2 1 1 7 2195 1 1 16 HIS HB3 H 7.696 2.003 2.028 1.00 . A A . 16 HIS HB3 1 1 7 2196 1 1 16 HIS HD1 H 9.780 2.258 3.410 1.00 . A A . 16 HIS HD1 1 1 7 2197 1 1 16 HIS HD2 H 8.146 -1.563 3.742 1.00 . A A . 16 HIS HD2 1 1 7 2198 1 1 16 HIS HE1 H 11.118 1.059 5.194 1.00 . A A . 16 HIS HE1 1 1 7 2199 1 1 16 HIS N N 5.530 0.038 1.265 1.00 . A A . 16 HIS N 1 1 7 2200 1 1 16 HIS ND1 N 9.610 1.335 3.694 1.00 . A A . 16 HIS ND1 1 1 7 2201 1 1 16 HIS NE2 N 9.813 -0.584 4.790 1.00 . A A . 16 HIS NE2 1 1 7 2202 1 1 16 HIS O O 6.108 2.612 3.590 1.00 . A A . 16 HIS O 1 1 7 2203 1 1 17 LEU C C 2.833 2.288 5.119 1.00 . A A . 17 LEU C 1 1 7 2204 1 1 17 LEU CA C 3.429 2.724 3.776 1.00 . A A . 17 LEU CA 1 1 7 2205 1 1 17 LEU CB C 2.302 3.090 2.823 1.00 . A A . 17 LEU CB 1 1 7 2206 1 1 17 LEU CD1 C 4.006 4.655 1.851 1.00 . A A . 17 LEU CD1 1 1 7 2207 1 1 17 LEU CD2 C 3.417 2.549 0.648 1.00 . A A . 17 LEU CD2 1 1 7 2208 1 1 17 LEU CG C 2.874 3.678 1.527 1.00 . A A . 17 LEU CG 1 1 7 2209 1 1 17 LEU H H 3.719 0.851 2.801 1.00 . A A . 17 LEU H 1 1 7 2210 1 1 17 LEU HA H 4.074 3.577 3.921 1.00 . A A . 17 LEU HA 1 1 7 2211 1 1 17 LEU HB2 H 1.727 2.207 2.597 1.00 . A A . 17 LEU HB2 1 1 7 2212 1 1 17 LEU HB3 H 1.671 3.806 3.293 1.00 . A A . 17 LEU HB3 1 1 7 2213 1 1 17 LEU HD11 H 3.813 5.125 2.805 1.00 . A A . 17 LEU HD11 1 1 7 2214 1 1 17 LEU HD12 H 4.061 5.410 1.081 1.00 . A A . 17 LEU HD12 1 1 7 2215 1 1 17 LEU HD13 H 4.942 4.118 1.898 1.00 . A A . 17 LEU HD13 1 1 7 2216 1 1 17 LEU HD21 H 4.464 2.720 0.446 1.00 . A A . 17 LEU HD21 1 1 7 2217 1 1 17 LEU HD22 H 2.870 2.522 -0.284 1.00 . A A . 17 LEU HD22 1 1 7 2218 1 1 17 LEU HD23 H 3.299 1.605 1.160 1.00 . A A . 17 LEU HD23 1 1 7 2219 1 1 17 LEU HG H 2.093 4.203 0.997 1.00 . A A . 17 LEU HG 1 1 7 2220 1 1 17 LEU N N 4.198 1.611 3.176 1.00 . A A . 17 LEU N 1 1 7 2221 1 1 17 LEU O O 1.632 2.245 5.287 1.00 . A A . 17 LEU O 1 1 7 2222 1 1 18 ASP C C 1.941 0.637 7.246 1.00 . A A . 18 ASP C 1 1 7 2223 1 1 18 ASP CA C 3.159 1.553 7.411 1.00 . A A . 18 ASP CA 1 1 7 2224 1 1 18 ASP CB C 2.757 2.794 8.212 1.00 . A A . 18 ASP CB 1 1 7 2225 1 1 18 ASP CG C 1.966 2.371 9.453 1.00 . A A . 18 ASP CG 1 1 7 2226 1 1 18 ASP H H 4.627 2.030 5.913 1.00 . A A . 18 ASP H 1 1 7 2227 1 1 18 ASP HA H 3.939 1.025 7.940 1.00 . A A . 18 ASP HA 1 1 7 2228 1 1 18 ASP HB2 H 3.644 3.329 8.516 1.00 . A A . 18 ASP HB2 1 1 7 2229 1 1 18 ASP HB3 H 2.143 3.434 7.598 1.00 . A A . 18 ASP HB3 1 1 7 2230 1 1 18 ASP N N 3.666 1.977 6.073 1.00 . A A . 18 ASP N 1 1 7 2231 1 1 18 ASP O O 0.816 1.049 7.446 1.00 . A A . 18 ASP O 1 1 7 2232 1 1 18 ASP OD1 O 2.054 1.211 9.820 1.00 . A A . 18 ASP OD1 1 1 7 2233 1 1 18 ASP OD2 O 1.287 3.214 10.013 1.00 . A A . 18 ASP OD2 1 1 7 2234 1 1 19 ILE C C 0.264 -1.678 8.048 1.00 . A A . 19 ILE C 1 1 7 2235 1 1 19 ILE CA C 0.997 -1.527 6.711 1.00 . A A . 19 ILE CA 1 1 7 2236 1 1 19 ILE CB C 1.506 -2.897 6.230 1.00 . A A . 19 ILE CB 1 1 7 2237 1 1 19 ILE CD1 C 2.355 -5.140 6.947 1.00 . A A . 19 ILE CD1 1 1 7 2238 1 1 19 ILE CG1 C 1.969 -3.741 7.424 1.00 . A A . 19 ILE CG1 1 1 7 2239 1 1 19 ILE CG2 C 2.682 -2.701 5.273 1.00 . A A . 19 ILE CG2 1 1 7 2240 1 1 19 ILE H H 3.061 -0.922 6.725 1.00 . A A . 19 ILE H 1 1 7 2241 1 1 19 ILE HA H 0.318 -1.118 5.978 1.00 . A A . 19 ILE HA 1 1 7 2242 1 1 19 ILE HB H 0.713 -3.409 5.713 1.00 . A A . 19 ILE HB 1 1 7 2243 1 1 19 ILE HD11 H 2.904 -5.647 7.726 1.00 . A A . 19 ILE HD11 1 1 7 2244 1 1 19 ILE HD12 H 2.972 -5.062 6.064 1.00 . A A . 19 ILE HD12 1 1 7 2245 1 1 19 ILE HD13 H 1.460 -5.700 6.715 1.00 . A A . 19 ILE HD13 1 1 7 2246 1 1 19 ILE HG12 H 2.822 -3.271 7.889 1.00 . A A . 19 ILE HG12 1 1 7 2247 1 1 19 ILE HG13 H 1.166 -3.822 8.141 1.00 . A A . 19 ILE HG13 1 1 7 2248 1 1 19 ILE HG21 H 3.595 -3.022 5.754 1.00 . A A . 19 ILE HG21 1 1 7 2249 1 1 19 ILE HG22 H 2.762 -1.656 5.010 1.00 . A A . 19 ILE HG22 1 1 7 2250 1 1 19 ILE HG23 H 2.521 -3.286 4.381 1.00 . A A . 19 ILE HG23 1 1 7 2251 1 1 19 ILE N N 2.150 -0.600 6.883 1.00 . A A . 19 ILE N 1 1 7 2252 1 1 19 ILE O O 0.863 -1.987 9.060 1.00 . A A . 19 ILE O 1 1 7 2253 1 1 20 ILE C C -2.773 -2.754 9.239 1.00 . A A . 20 ILE C 1 1 7 2254 1 1 20 ILE CA C -1.766 -1.610 9.352 1.00 . A A . 20 ILE CA 1 1 7 2255 1 1 20 ILE CB C -2.500 -0.308 9.671 1.00 . A A . 20 ILE CB 1 1 7 2256 1 1 20 ILE CD1 C -0.559 0.188 11.169 1.00 . A A . 20 ILE CD1 1 1 7 2257 1 1 20 ILE CG1 C -1.487 0.756 10.093 1.00 . A A . 20 ILE CG1 1 1 7 2258 1 1 20 ILE CG2 C -3.491 -0.545 10.813 1.00 . A A . 20 ILE CG2 1 1 7 2259 1 1 20 ILE H H -1.497 -1.210 7.243 1.00 . A A . 20 ILE H 1 1 7 2260 1 1 20 ILE HA H -1.068 -1.835 10.146 1.00 . A A . 20 ILE HA 1 1 7 2261 1 1 20 ILE HB H -3.035 0.027 8.796 1.00 . A A . 20 ILE HB 1 1 7 2262 1 1 20 ILE HD11 H -0.217 0.989 11.809 1.00 . A A . 20 ILE HD11 1 1 7 2263 1 1 20 ILE HD12 H 0.291 -0.285 10.700 1.00 . A A . 20 ILE HD12 1 1 7 2264 1 1 20 ILE HD13 H -1.095 -0.540 11.760 1.00 . A A . 20 ILE HD13 1 1 7 2265 1 1 20 ILE HG12 H -0.902 1.058 9.235 1.00 . A A . 20 ILE HG12 1 1 7 2266 1 1 20 ILE HG13 H -2.011 1.608 10.489 1.00 . A A . 20 ILE HG13 1 1 7 2267 1 1 20 ILE HG21 H -3.362 -1.545 11.201 1.00 . A A . 20 ILE HG21 1 1 7 2268 1 1 20 ILE HG22 H -4.500 -0.429 10.444 1.00 . A A . 20 ILE HG22 1 1 7 2269 1 1 20 ILE HG23 H -3.312 0.172 11.601 1.00 . A A . 20 ILE HG23 1 1 7 2270 1 1 20 ILE N N -1.022 -1.465 8.069 1.00 . A A . 20 ILE N 1 1 7 2271 1 1 20 ILE O O -3.954 -2.541 9.048 1.00 . A A . 20 ILE O 1 1 7 2272 1 1 21 TRP C C -4.371 -4.967 10.287 1.00 . A A . 21 TRP C 1 1 7 2273 1 1 21 TRP CA C -3.246 -5.128 9.261 1.00 . A A . 21 TRP CA 1 1 7 2274 1 1 21 TRP CB C -2.516 -6.457 9.515 1.00 . A A . 21 TRP CB 1 1 7 2275 1 1 21 TRP CD1 C -0.194 -7.066 10.297 1.00 . A A . 21 TRP CD1 1 1 7 2276 1 1 21 TRP CD2 C -1.006 -5.283 11.405 1.00 . A A . 21 TRP CD2 1 1 7 2277 1 1 21 TRP CE2 C 0.289 -5.531 11.920 1.00 . A A . 21 TRP CE2 1 1 7 2278 1 1 21 TRP CE3 C -1.733 -4.205 11.940 1.00 . A A . 21 TRP CE3 1 1 7 2279 1 1 21 TRP CG C -1.289 -6.273 10.365 1.00 . A A . 21 TRP CG 1 1 7 2280 1 1 21 TRP CH2 C 0.102 -3.676 13.450 1.00 . A A . 21 TRP CH2 1 1 7 2281 1 1 21 TRP CZ2 C 0.840 -4.741 12.929 1.00 . A A . 21 TRP CZ2 1 1 7 2282 1 1 21 TRP CZ3 C -1.182 -3.408 12.956 1.00 . A A . 21 TRP CZ3 1 1 7 2283 1 1 21 TRP H H -1.358 -4.110 9.511 1.00 . A A . 21 TRP H 1 1 7 2284 1 1 21 TRP HA H -3.678 -5.145 8.271 1.00 . A A . 21 TRP HA 1 1 7 2285 1 1 21 TRP HB2 H -3.188 -7.137 10.016 1.00 . A A . 21 TRP HB2 1 1 7 2286 1 1 21 TRP HB3 H -2.228 -6.885 8.566 1.00 . A A . 21 TRP HB3 1 1 7 2287 1 1 21 TRP HD1 H -0.069 -7.907 9.630 1.00 . A A . 21 TRP HD1 1 1 7 2288 1 1 21 TRP HE1 H 1.623 -7.027 11.360 1.00 . A A . 21 TRP HE1 1 1 7 2289 1 1 21 TRP HE3 H -2.719 -3.988 11.567 1.00 . A A . 21 TRP HE3 1 1 7 2290 1 1 21 TRP HH2 H 0.520 -3.059 14.231 1.00 . A A . 21 TRP HH2 1 1 7 2291 1 1 21 TRP HZ2 H 1.829 -4.952 13.305 1.00 . A A . 21 TRP HZ2 1 1 7 2292 1 1 21 TRP HZ3 H -1.751 -2.583 13.360 1.00 . A A . 21 TRP HZ3 1 1 7 2293 1 1 21 TRP N N -2.312 -3.968 9.358 1.00 . A A . 21 TRP N 1 1 7 2294 1 1 21 TRP NE1 N 0.740 -6.626 11.215 1.00 . A A . 21 TRP NE1 1 1 7 2295 1 1 21 TRP O O -5.285 -4.206 10.021 1.00 . A A . 21 TRP O 1 1 7 2296 1 1 21 TRP OXT O -4.297 -5.609 11.322 1.00 . A A . 21 TRP OXT 1 1 8 2297 1 1 1 CYS C C 6.002 -2.814 -4.829 1.00 . A A . 1 CYS C 1 1 8 2298 1 1 1 CYS CA C 6.756 -2.205 -3.645 1.00 . A A . 1 CYS CA 1 1 8 2299 1 1 1 CYS CB C 6.861 -0.689 -3.832 1.00 . A A . 1 CYS CB 1 1 8 2300 1 1 1 CYS H1 H 8.092 -3.786 -3.880 1.00 . A A . 1 CYS H1 1 1 8 2301 1 1 1 CYS H2 H 8.470 -2.745 -2.592 1.00 . A A . 1 CYS H2 1 1 8 2302 1 1 1 CYS H3 H 8.764 -2.260 -4.194 1.00 . A A . 1 CYS H3 1 1 8 2303 1 1 1 CYS HA H 6.223 -2.419 -2.730 1.00 . A A . 1 CYS HA 1 1 8 2304 1 1 1 CYS HB2 H 7.228 -0.239 -2.921 1.00 . A A . 1 CYS HB2 1 1 8 2305 1 1 1 CYS HB3 H 7.546 -0.474 -4.639 1.00 . A A . 1 CYS HB3 1 1 8 2306 1 1 1 CYS N N 8.124 -2.793 -3.573 1.00 . A A . 1 CYS N 1 1 8 2307 1 1 1 CYS O O 6.593 -3.340 -5.751 1.00 . A A . 1 CYS O 1 1 8 2308 1 1 1 CYS SG S 5.230 -0.011 -4.227 1.00 . A A . 1 CYS SG 1 1 8 2309 1 1 2 SER C C 2.415 -3.231 -5.606 1.00 . A A . 2 SER C 1 1 8 2310 1 1 2 SER CA C 3.907 -3.318 -5.935 1.00 . A A . 2 SER CA 1 1 8 2311 1 1 2 SER CB C 4.299 -4.781 -6.142 1.00 . A A . 2 SER CB 1 1 8 2312 1 1 2 SER H H 4.242 -2.316 -4.057 1.00 . A A . 2 SER H 1 1 8 2313 1 1 2 SER HA H 4.109 -2.760 -6.837 1.00 . A A . 2 SER HA 1 1 8 2314 1 1 2 SER HB2 H 3.435 -5.346 -6.452 1.00 . A A . 2 SER HB2 1 1 8 2315 1 1 2 SER HB3 H 5.061 -4.843 -6.907 1.00 . A A . 2 SER HB3 1 1 8 2316 1 1 2 SER HG H 4.109 -5.205 -4.253 1.00 . A A . 2 SER HG 1 1 8 2317 1 1 2 SER N N 4.699 -2.745 -4.810 1.00 . A A . 2 SER N 1 1 8 2318 1 1 2 SER O O 1.889 -4.021 -4.848 1.00 . A A . 2 SER O 1 1 8 2319 1 1 2 SER OG O 4.791 -5.312 -4.919 1.00 . A A . 2 SER OG 1 1 8 2320 1 1 3 CYS C C -0.439 -1.656 -7.166 1.00 . A A . 3 CYS C 1 1 8 2321 1 1 3 CYS CA C 0.269 -2.143 -5.896 1.00 . A A . 3 CYS CA 1 1 8 2322 1 1 3 CYS CB C 0.059 -1.132 -4.758 1.00 . A A . 3 CYS CB 1 1 8 2323 1 1 3 CYS H H 2.169 -1.651 -6.784 1.00 . A A . 3 CYS H 1 1 8 2324 1 1 3 CYS HA H -0.127 -3.105 -5.602 1.00 . A A . 3 CYS HA 1 1 8 2325 1 1 3 CYS HB2 H 0.310 -1.597 -3.818 1.00 . A A . 3 CYS HB2 1 1 8 2326 1 1 3 CYS HB3 H 0.696 -0.274 -4.917 1.00 . A A . 3 CYS HB3 1 1 8 2327 1 1 3 CYS N N 1.727 -2.277 -6.173 1.00 . A A . 3 CYS N 1 1 8 2328 1 1 3 CYS O O 0.177 -1.119 -8.064 1.00 . A A . 3 CYS O 1 1 8 2329 1 1 3 CYS SG S -1.670 -0.598 -4.705 1.00 . A A . 3 CYS SG 1 1 8 2330 1 1 4 SER C C -2.290 0.139 -8.604 1.00 . A A . 4 SER C 1 1 8 2331 1 1 4 SER CA C -2.472 -1.371 -8.452 1.00 . A A . 4 SER CA 1 1 8 2332 1 1 4 SER CB C -3.959 -1.694 -8.295 1.00 . A A . 4 SER CB 1 1 8 2333 1 1 4 SER H H -2.214 -2.261 -6.507 1.00 . A A . 4 SER H 1 1 8 2334 1 1 4 SER HA H -2.085 -1.869 -9.324 1.00 . A A . 4 SER HA 1 1 8 2335 1 1 4 SER HB2 H -4.133 -2.728 -8.543 1.00 . A A . 4 SER HB2 1 1 8 2336 1 1 4 SER HB3 H -4.258 -1.516 -7.270 1.00 . A A . 4 SER HB3 1 1 8 2337 1 1 4 SER HG H -4.845 -0.020 -8.741 1.00 . A A . 4 SER HG 1 1 8 2338 1 1 4 SER N N -1.731 -1.833 -7.244 1.00 . A A . 4 SER N 1 1 8 2339 1 1 4 SER O O -1.818 0.621 -9.614 1.00 . A A . 4 SER O 1 1 8 2340 1 1 4 SER OG O -4.714 -0.868 -9.171 1.00 . A A . 4 SER OG 1 1 8 2341 1 1 5 SER C C -1.901 2.859 -6.341 1.00 . A A . 5 SER C 1 1 8 2342 1 1 5 SER CA C -2.496 2.363 -7.671 1.00 . A A . 5 SER CA 1 1 8 2343 1 1 5 SER CB C -3.864 3.009 -7.915 1.00 . A A . 5 SER CB 1 1 8 2344 1 1 5 SER H H -3.024 0.470 -6.795 1.00 . A A . 5 SER H 1 1 8 2345 1 1 5 SER HA H -1.830 2.606 -8.487 1.00 . A A . 5 SER HA 1 1 8 2346 1 1 5 SER HB2 H -3.853 3.528 -8.860 1.00 . A A . 5 SER HB2 1 1 8 2347 1 1 5 SER HB3 H -4.623 2.239 -7.942 1.00 . A A . 5 SER HB3 1 1 8 2348 1 1 5 SER HG H -4.620 3.471 -6.183 1.00 . A A . 5 SER HG 1 1 8 2349 1 1 5 SER N N -2.653 0.885 -7.600 1.00 . A A . 5 SER N 1 1 8 2350 1 1 5 SER O O -2.469 2.657 -5.287 1.00 . A A . 5 SER O 1 1 8 2351 1 1 5 SER OG O -4.148 3.938 -6.876 1.00 . A A . 5 SER OG 1 1 8 2352 1 1 6 LEU C C -1.033 4.907 -4.330 1.00 . A A . 6 LEU C 1 1 8 2353 1 1 6 LEU CA C -0.107 3.959 -5.116 1.00 . A A . 6 LEU CA 1 1 8 2354 1 1 6 LEU CB C 1.199 4.692 -5.447 1.00 . A A . 6 LEU CB 1 1 8 2355 1 1 6 LEU CD1 C 2.301 2.702 -6.491 1.00 . A A . 6 LEU CD1 1 1 8 2356 1 1 6 LEU CD2 C 3.688 4.479 -5.416 1.00 . A A . 6 LEU CD2 1 1 8 2357 1 1 6 LEU CG C 2.368 3.710 -5.342 1.00 . A A . 6 LEU CG 1 1 8 2358 1 1 6 LEU H H -0.297 3.613 -7.238 1.00 . A A . 6 LEU H 1 1 8 2359 1 1 6 LEU HA H 0.129 3.104 -4.497 1.00 . A A . 6 LEU HA 1 1 8 2360 1 1 6 LEU HB2 H 1.153 5.095 -6.448 1.00 . A A . 6 LEU HB2 1 1 8 2361 1 1 6 LEU HB3 H 1.347 5.497 -4.743 1.00 . A A . 6 LEU HB3 1 1 8 2362 1 1 6 LEU HD11 H 3.005 1.902 -6.311 1.00 . A A . 6 LEU HD11 1 1 8 2363 1 1 6 LEU HD12 H 2.547 3.195 -7.419 1.00 . A A . 6 LEU HD12 1 1 8 2364 1 1 6 LEU HD13 H 1.303 2.293 -6.555 1.00 . A A . 6 LEU HD13 1 1 8 2365 1 1 6 LEU HD21 H 3.500 5.531 -5.262 1.00 . A A . 6 LEU HD21 1 1 8 2366 1 1 6 LEU HD22 H 4.138 4.331 -6.386 1.00 . A A . 6 LEU HD22 1 1 8 2367 1 1 6 LEU HD23 H 4.358 4.117 -4.650 1.00 . A A . 6 LEU HD23 1 1 8 2368 1 1 6 LEU HG H 2.307 3.183 -4.402 1.00 . A A . 6 LEU HG 1 1 8 2369 1 1 6 LEU N N -0.750 3.481 -6.381 1.00 . A A . 6 LEU N 1 1 8 2370 1 1 6 LEU O O -0.784 5.199 -3.178 1.00 . A A . 6 LEU O 1 1 8 2371 1 1 7 MET C C -4.030 5.564 -3.378 1.00 . A A . 7 MET C 1 1 8 2372 1 1 7 MET CA C -2.985 6.342 -4.191 1.00 . A A . 7 MET CA 1 1 8 2373 1 1 7 MET CB C -3.693 7.263 -5.191 1.00 . A A . 7 MET CB 1 1 8 2374 1 1 7 MET CE C -5.456 9.302 -6.792 1.00 . A A . 7 MET CE 1 1 8 2375 1 1 7 MET CG C -4.807 8.036 -4.480 1.00 . A A . 7 MET CG 1 1 8 2376 1 1 7 MET H H -2.275 5.181 -5.861 1.00 . A A . 7 MET H 1 1 8 2377 1 1 7 MET HA H -2.391 6.943 -3.518 1.00 . A A . 7 MET HA 1 1 8 2378 1 1 7 MET HB2 H -2.980 7.961 -5.604 1.00 . A A . 7 MET HB2 1 1 8 2379 1 1 7 MET HB3 H -4.121 6.674 -5.988 1.00 . A A . 7 MET HB3 1 1 8 2380 1 1 7 MET HE1 H -6.187 8.509 -6.729 1.00 . A A . 7 MET HE1 1 1 8 2381 1 1 7 MET HE2 H -4.622 8.973 -7.391 1.00 . A A . 7 MET HE2 1 1 8 2382 1 1 7 MET HE3 H -5.901 10.176 -7.249 1.00 . A A . 7 MET HE3 1 1 8 2383 1 1 7 MET HG2 H -5.754 7.545 -4.652 1.00 . A A . 7 MET HG2 1 1 8 2384 1 1 7 MET HG3 H -4.605 8.068 -3.419 1.00 . A A . 7 MET HG3 1 1 8 2385 1 1 7 MET N N -2.085 5.406 -4.931 1.00 . A A . 7 MET N 1 1 8 2386 1 1 7 MET O O -4.776 6.137 -2.611 1.00 . A A . 7 MET O 1 1 8 2387 1 1 7 MET SD S -4.879 9.724 -5.130 1.00 . A A . 7 MET SD 1 1 8 2388 1 1 8 ASP C C -4.806 3.609 -1.258 1.00 . A A . 8 ASP C 1 1 8 2389 1 1 8 ASP CA C -5.100 3.478 -2.755 1.00 . A A . 8 ASP CA 1 1 8 2390 1 1 8 ASP CB C -5.028 2.002 -3.158 1.00 . A A . 8 ASP CB 1 1 8 2391 1 1 8 ASP CG C -6.412 1.366 -3.014 1.00 . A A . 8 ASP CG 1 1 8 2392 1 1 8 ASP H H -3.491 3.814 -4.151 1.00 . A A . 8 ASP H 1 1 8 2393 1 1 8 ASP HA H -6.090 3.859 -2.960 1.00 . A A . 8 ASP HA 1 1 8 2394 1 1 8 ASP HB2 H -4.702 1.921 -4.184 1.00 . A A . 8 ASP HB2 1 1 8 2395 1 1 8 ASP HB3 H -4.330 1.488 -2.517 1.00 . A A . 8 ASP HB3 1 1 8 2396 1 1 8 ASP N N -4.096 4.267 -3.531 1.00 . A A . 8 ASP N 1 1 8 2397 1 1 8 ASP O O -4.085 4.488 -0.830 1.00 . A A . 8 ASP O 1 1 8 2398 1 1 8 ASP OD1 O -7.293 1.731 -3.775 1.00 . A A . 8 ASP OD1 1 1 8 2399 1 1 8 ASP OD2 O -6.567 0.525 -2.143 1.00 . A A . 8 ASP OD2 1 1 8 2400 1 1 9 LYS C C -4.412 1.523 1.490 1.00 . A A . 9 LYS C 1 1 8 2401 1 1 9 LYS CA C -5.117 2.806 1.014 1.00 . A A . 9 LYS CA 1 1 8 2402 1 1 9 LYS CB C -6.454 2.979 1.753 1.00 . A A . 9 LYS CB 1 1 8 2403 1 1 9 LYS CD C -6.603 5.475 1.551 1.00 . A A . 9 LYS CD 1 1 8 2404 1 1 9 LYS CE C -5.757 6.010 0.396 1.00 . A A . 9 LYS CE 1 1 8 2405 1 1 9 LYS CG C -7.248 4.147 1.145 1.00 . A A . 9 LYS CG 1 1 8 2406 1 1 9 LYS H H -5.938 2.040 -0.829 1.00 . A A . 9 LYS H 1 1 8 2407 1 1 9 LYS HA H -4.478 3.653 1.228 1.00 . A A . 9 LYS HA 1 1 8 2408 1 1 9 LYS HB2 H -7.032 2.071 1.667 1.00 . A A . 9 LYS HB2 1 1 8 2409 1 1 9 LYS HB3 H -6.263 3.185 2.796 1.00 . A A . 9 LYS HB3 1 1 8 2410 1 1 9 LYS HD2 H -7.376 6.191 1.793 1.00 . A A . 9 LYS HD2 1 1 8 2411 1 1 9 LYS HD3 H -5.974 5.321 2.415 1.00 . A A . 9 LYS HD3 1 1 8 2412 1 1 9 LYS HE2 H -4.710 5.872 0.622 1.00 . A A . 9 LYS HE2 1 1 8 2413 1 1 9 LYS HE3 H -6.004 5.474 -0.509 1.00 . A A . 9 LYS HE3 1 1 8 2414 1 1 9 LYS HG2 H -7.254 4.062 0.068 1.00 . A A . 9 LYS HG2 1 1 8 2415 1 1 9 LYS HG3 H -8.266 4.123 1.512 1.00 . A A . 9 LYS HG3 1 1 8 2416 1 1 9 LYS HZ1 H -6.357 7.874 1.104 1.00 . A A . 9 LYS HZ1 1 1 8 2417 1 1 9 LYS HZ2 H -6.780 7.579 -0.514 1.00 . A A . 9 LYS HZ2 1 1 8 2418 1 1 9 LYS HZ3 H -5.172 7.944 -0.107 1.00 . A A . 9 LYS HZ3 1 1 8 2419 1 1 9 LYS N N -5.361 2.737 -0.459 1.00 . A A . 9 LYS N 1 1 8 2420 1 1 9 LYS NZ N -6.038 7.462 0.205 1.00 . A A . 9 LYS NZ 1 1 8 2421 1 1 9 LYS O O -3.234 1.534 1.783 1.00 . A A . 9 LYS O 1 1 8 2422 1 1 10 GLU C C -3.519 -1.364 0.965 1.00 . A A . 10 GLU C 1 1 8 2423 1 1 10 GLU CA C -4.459 -0.838 2.041 1.00 . A A . 10 GLU CA 1 1 8 2424 1 1 10 GLU CB C -5.529 -1.887 2.324 1.00 . A A . 10 GLU CB 1 1 8 2425 1 1 10 GLU CD C -6.942 -2.900 4.113 1.00 . A A . 10 GLU CD 1 1 8 2426 1 1 10 GLU CG C -5.853 -1.869 3.810 1.00 . A A . 10 GLU CG 1 1 8 2427 1 1 10 GLU H H -6.058 0.411 1.352 1.00 . A A . 10 GLU H 1 1 8 2428 1 1 10 GLU HA H -3.900 -0.641 2.942 1.00 . A A . 10 GLU HA 1 1 8 2429 1 1 10 GLU HB2 H -6.420 -1.658 1.755 1.00 . A A . 10 GLU HB2 1 1 8 2430 1 1 10 GLU HB3 H -5.162 -2.864 2.047 1.00 . A A . 10 GLU HB3 1 1 8 2431 1 1 10 GLU HG2 H -4.959 -2.109 4.367 1.00 . A A . 10 GLU HG2 1 1 8 2432 1 1 10 GLU HG3 H -6.198 -0.886 4.084 1.00 . A A . 10 GLU HG3 1 1 8 2433 1 1 10 GLU N N -5.111 0.418 1.579 1.00 . A A . 10 GLU N 1 1 8 2434 1 1 10 GLU O O -2.493 -1.945 1.253 1.00 . A A . 10 GLU O 1 1 8 2435 1 1 10 GLU OE1 O -7.281 -3.656 3.219 1.00 . A A . 10 GLU OE1 1 1 8 2436 1 1 10 GLU OE2 O -7.419 -2.914 5.236 1.00 . A A . 10 GLU OE2 1 1 8 2437 1 1 11 CYS C C -1.723 -0.757 -1.389 1.00 . A A . 11 CYS C 1 1 8 2438 1 1 11 CYS CA C -2.966 -1.642 -1.358 1.00 . A A . 11 CYS CA 1 1 8 2439 1 1 11 CYS CB C -3.706 -1.557 -2.696 1.00 . A A . 11 CYS CB 1 1 8 2440 1 1 11 CYS H H -4.676 -0.676 -0.489 1.00 . A A . 11 CYS H 1 1 8 2441 1 1 11 CYS HA H -2.683 -2.663 -1.158 1.00 . A A . 11 CYS HA 1 1 8 2442 1 1 11 CYS HB2 H -4.617 -2.134 -2.639 1.00 . A A . 11 CYS HB2 1 1 8 2443 1 1 11 CYS HB3 H -3.947 -0.527 -2.909 1.00 . A A . 11 CYS HB3 1 1 8 2444 1 1 11 CYS N N -3.853 -1.158 -0.274 1.00 . A A . 11 CYS N 1 1 8 2445 1 1 11 CYS O O -0.739 -1.057 -2.037 1.00 . A A . 11 CYS O 1 1 8 2446 1 1 11 CYS SG S -2.658 -2.216 -4.012 1.00 . A A . 11 CYS SG 1 1 8 2447 1 1 12 VAL C C 0.420 0.779 0.370 1.00 . A A . 12 VAL C 1 1 8 2448 1 1 12 VAL CA C -0.624 1.274 -0.642 1.00 . A A . 12 VAL CA 1 1 8 2449 1 1 12 VAL CB C -1.157 2.649 -0.233 1.00 . A A . 12 VAL CB 1 1 8 2450 1 1 12 VAL CG1 C -0.031 3.512 0.309 1.00 . A A . 12 VAL CG1 1 1 8 2451 1 1 12 VAL CG2 C -1.777 3.325 -1.453 1.00 . A A . 12 VAL CG2 1 1 8 2452 1 1 12 VAL H H -2.585 0.552 -0.178 1.00 . A A . 12 VAL H 1 1 8 2453 1 1 12 VAL HA H -0.172 1.340 -1.617 1.00 . A A . 12 VAL HA 1 1 8 2454 1 1 12 VAL HB H -1.909 2.531 0.530 1.00 . A A . 12 VAL HB 1 1 8 2455 1 1 12 VAL HG11 H -0.253 4.550 0.115 1.00 . A A . 12 VAL HG11 1 1 8 2456 1 1 12 VAL HG12 H 0.893 3.240 -0.178 1.00 . A A . 12 VAL HG12 1 1 8 2457 1 1 12 VAL HG13 H 0.058 3.353 1.373 1.00 . A A . 12 VAL HG13 1 1 8 2458 1 1 12 VAL HG21 H -2.027 4.345 -1.209 1.00 . A A . 12 VAL HG21 1 1 8 2459 1 1 12 VAL HG22 H -2.672 2.793 -1.741 1.00 . A A . 12 VAL HG22 1 1 8 2460 1 1 12 VAL HG23 H -1.071 3.310 -2.269 1.00 . A A . 12 VAL HG23 1 1 8 2461 1 1 12 VAL N N -1.773 0.338 -0.684 1.00 . A A . 12 VAL N 1 1 8 2462 1 1 12 VAL O O 1.606 0.964 0.187 1.00 . A A . 12 VAL O 1 1 8 2463 1 1 13 TYR C C 2.070 -1.149 1.765 1.00 . A A . 13 TYR C 1 1 8 2464 1 1 13 TYR CA C 0.965 -0.343 2.448 1.00 . A A . 13 TYR CA 1 1 8 2465 1 1 13 TYR CB C 0.235 -1.244 3.445 1.00 . A A . 13 TYR CB 1 1 8 2466 1 1 13 TYR CD1 C -0.856 0.912 4.169 1.00 . A A . 13 TYR CD1 1 1 8 2467 1 1 13 TYR CD2 C -2.028 -1.176 4.550 1.00 . A A . 13 TYR CD2 1 1 8 2468 1 1 13 TYR CE1 C -1.918 1.614 4.750 1.00 . A A . 13 TYR CE1 1 1 8 2469 1 1 13 TYR CE2 C -3.090 -0.473 5.131 1.00 . A A . 13 TYR CE2 1 1 8 2470 1 1 13 TYR CG C -0.910 -0.484 4.069 1.00 . A A . 13 TYR CG 1 1 8 2471 1 1 13 TYR CZ C -3.035 0.922 5.231 1.00 . A A . 13 TYR CZ 1 1 8 2472 1 1 13 TYR H H -0.965 0.012 1.568 1.00 . A A . 13 TYR H 1 1 8 2473 1 1 13 TYR HA H 1.399 0.494 2.972 1.00 . A A . 13 TYR HA 1 1 8 2474 1 1 13 TYR HB2 H -0.148 -2.112 2.930 1.00 . A A . 13 TYR HB2 1 1 8 2475 1 1 13 TYR HB3 H 0.921 -1.555 4.215 1.00 . A A . 13 TYR HB3 1 1 8 2476 1 1 13 TYR HD1 H 0.007 1.447 3.798 1.00 . A A . 13 TYR HD1 1 1 8 2477 1 1 13 TYR HD2 H -2.070 -2.253 4.473 1.00 . A A . 13 TYR HD2 1 1 8 2478 1 1 13 TYR HE1 H -1.875 2.690 4.828 1.00 . A A . 13 TYR HE1 1 1 8 2479 1 1 13 TYR HE2 H -3.952 -1.008 5.502 1.00 . A A . 13 TYR HE2 1 1 8 2480 1 1 13 TYR HH H -4.079 1.430 6.747 1.00 . A A . 13 TYR HH 1 1 8 2481 1 1 13 TYR N N -0.007 0.154 1.433 1.00 . A A . 13 TYR N 1 1 8 2482 1 1 13 TYR O O 3.162 -1.286 2.282 1.00 . A A . 13 TYR O 1 1 8 2483 1 1 13 TYR OH O -4.082 1.614 5.805 1.00 . A A . 13 TYR OH 1 1 8 2484 1 1 14 PHE C C 4.018 -1.633 -0.472 1.00 . A A . 14 PHE C 1 1 8 2485 1 1 14 PHE CA C 2.824 -2.509 -0.085 1.00 . A A . 14 PHE CA 1 1 8 2486 1 1 14 PHE CB C 2.203 -3.130 -1.336 1.00 . A A . 14 PHE CB 1 1 8 2487 1 1 14 PHE CD1 C 0.712 -4.281 0.342 1.00 . A A . 14 PHE CD1 1 1 8 2488 1 1 14 PHE CD2 C -0.126 -3.916 -1.905 1.00 . A A . 14 PHE CD2 1 1 8 2489 1 1 14 PHE CE1 C -0.496 -4.893 0.694 1.00 . A A . 14 PHE CE1 1 1 8 2490 1 1 14 PHE CE2 C -1.334 -4.528 -1.551 1.00 . A A . 14 PHE CE2 1 1 8 2491 1 1 14 PHE CG C 0.898 -3.792 -0.959 1.00 . A A . 14 PHE CG 1 1 8 2492 1 1 14 PHE CZ C -1.518 -5.016 -0.251 1.00 . A A . 14 PHE CZ 1 1 8 2493 1 1 14 PHE H H 0.903 -1.587 0.223 1.00 . A A . 14 PHE H 1 1 8 2494 1 1 14 PHE HA H 3.159 -3.296 0.573 1.00 . A A . 14 PHE HA 1 1 8 2495 1 1 14 PHE HB2 H 2.020 -2.358 -2.070 1.00 . A A . 14 PHE HB2 1 1 8 2496 1 1 14 PHE HB3 H 2.875 -3.869 -1.746 1.00 . A A . 14 PHE HB3 1 1 8 2497 1 1 14 PHE HD1 H 1.502 -4.185 1.072 1.00 . A A . 14 PHE HD1 1 1 8 2498 1 1 14 PHE HD2 H 0.016 -3.540 -2.907 1.00 . A A . 14 PHE HD2 1 1 8 2499 1 1 14 PHE HE1 H -0.638 -5.269 1.697 1.00 . A A . 14 PHE HE1 1 1 8 2500 1 1 14 PHE HE2 H -2.124 -4.625 -2.281 1.00 . A A . 14 PHE HE2 1 1 8 2501 1 1 14 PHE HZ H -2.451 -5.488 0.021 1.00 . A A . 14 PHE HZ 1 1 8 2502 1 1 14 PHE N N 1.794 -1.698 0.618 1.00 . A A . 14 PHE N 1 1 8 2503 1 1 14 PHE O O 5.141 -2.094 -0.531 1.00 . A A . 14 PHE O 1 1 8 2504 1 1 15 CYS C C 5.648 1.026 0.147 1.00 . A A . 15 CYS C 1 1 8 2505 1 1 15 CYS CA C 4.924 0.523 -1.112 1.00 . A A . 15 CYS CA 1 1 8 2506 1 1 15 CYS CB C 4.385 1.720 -1.897 1.00 . A A . 15 CYS CB 1 1 8 2507 1 1 15 CYS H H 2.882 -0.019 -0.686 1.00 . A A . 15 CYS H 1 1 8 2508 1 1 15 CYS HA H 5.622 -0.023 -1.731 1.00 . A A . 15 CYS HA 1 1 8 2509 1 1 15 CYS HB2 H 3.331 1.580 -2.090 1.00 . A A . 15 CYS HB2 1 1 8 2510 1 1 15 CYS HB3 H 4.529 2.623 -1.323 1.00 . A A . 15 CYS HB3 1 1 8 2511 1 1 15 CYS N N 3.792 -0.374 -0.734 1.00 . A A . 15 CYS N 1 1 8 2512 1 1 15 CYS O O 6.307 2.047 0.120 1.00 . A A . 15 CYS O 1 1 8 2513 1 1 15 CYS SG S 5.271 1.860 -3.469 1.00 . A A . 15 CYS SG 1 1 8 2514 1 1 16 HIS C C 5.439 1.889 3.165 1.00 . A A . 16 HIS C 1 1 8 2515 1 1 16 HIS CA C 6.231 0.760 2.495 1.00 . A A . 16 HIS CA 1 1 8 2516 1 1 16 HIS CB C 7.636 1.260 2.153 1.00 . A A . 16 HIS CB 1 1 8 2517 1 1 16 HIS CD2 C 8.974 2.214 4.204 1.00 . A A . 16 HIS CD2 1 1 8 2518 1 1 16 HIS CE1 C 9.707 0.337 5.002 1.00 . A A . 16 HIS CE1 1 1 8 2519 1 1 16 HIS CG C 8.497 1.220 3.385 1.00 . A A . 16 HIS CG 1 1 8 2520 1 1 16 HIS H H 5.009 -0.501 1.252 1.00 . A A . 16 HIS H 1 1 8 2521 1 1 16 HIS HA H 6.309 -0.077 3.174 1.00 . A A . 16 HIS HA 1 1 8 2522 1 1 16 HIS HB2 H 8.068 0.628 1.390 1.00 . A A . 16 HIS HB2 1 1 8 2523 1 1 16 HIS HB3 H 7.578 2.275 1.788 1.00 . A A . 16 HIS HB3 1 1 8 2524 1 1 16 HIS HD1 H 8.815 -0.867 3.558 1.00 . A A . 16 HIS HD1 1 1 8 2525 1 1 16 HIS HD2 H 8.786 3.270 4.076 1.00 . A A . 16 HIS HD2 1 1 8 2526 1 1 16 HIS HE1 H 10.206 -0.394 5.620 1.00 . A A . 16 HIS HE1 1 1 8 2527 1 1 16 HIS N N 5.540 0.320 1.247 1.00 . A A . 16 HIS N 1 1 8 2528 1 1 16 HIS ND1 N 8.978 0.032 3.913 1.00 . A A . 16 HIS ND1 1 1 8 2529 1 1 16 HIS NE2 N 9.737 1.654 5.224 1.00 . A A . 16 HIS NE2 1 1 8 2530 1 1 16 HIS O O 6.005 2.849 3.647 1.00 . A A . 16 HIS O 1 1 8 2531 1 1 17 LEU C C 2.729 2.368 5.138 1.00 . A A . 17 LEU C 1 1 8 2532 1 1 17 LEU CA C 3.323 2.861 3.814 1.00 . A A . 17 LEU CA 1 1 8 2533 1 1 17 LEU CB C 2.198 3.219 2.856 1.00 . A A . 17 LEU CB 1 1 8 2534 1 1 17 LEU CD1 C 3.869 4.864 1.959 1.00 . A A . 17 LEU CD1 1 1 8 2535 1 1 17 LEU CD2 C 3.357 2.777 0.686 1.00 . A A . 17 LEU CD2 1 1 8 2536 1 1 17 LEU CG C 2.771 3.865 1.588 1.00 . A A . 17 LEU CG 1 1 8 2537 1 1 17 LEU H H 3.685 1.025 2.791 1.00 . A A . 17 LEU H 1 1 8 2538 1 1 17 LEU HA H 3.938 3.729 3.992 1.00 . A A . 17 LEU HA 1 1 8 2539 1 1 17 LEU HB2 H 1.657 2.324 2.595 1.00 . A A . 17 LEU HB2 1 1 8 2540 1 1 17 LEU HB3 H 1.536 3.899 3.336 1.00 . A A . 17 LEU HB3 1 1 8 2541 1 1 17 LEU HD11 H 3.567 5.424 2.831 1.00 . A A . 17 LEU HD11 1 1 8 2542 1 1 17 LEU HD12 H 4.032 5.541 1.133 1.00 . A A . 17 LEU HD12 1 1 8 2543 1 1 17 LEU HD13 H 4.783 4.330 2.173 1.00 . A A . 17 LEU HD13 1 1 8 2544 1 1 17 LEU HD21 H 4.403 2.980 0.511 1.00 . A A . 17 LEU HD21 1 1 8 2545 1 1 17 LEU HD22 H 2.830 2.767 -0.256 1.00 . A A . 17 LEU HD22 1 1 8 2546 1 1 17 LEU HD23 H 3.253 1.816 1.167 1.00 . A A . 17 LEU HD23 1 1 8 2547 1 1 17 LEU HG H 1.983 4.382 1.063 1.00 . A A . 17 LEU HG 1 1 8 2548 1 1 17 LEU N N 4.135 1.792 3.191 1.00 . A A . 17 LEU N 1 1 8 2549 1 1 17 LEU O O 1.527 2.277 5.293 1.00 . A A . 17 LEU O 1 1 8 2550 1 1 18 ASP C C 1.880 0.628 7.215 1.00 . A A . 18 ASP C 1 1 8 2551 1 1 18 ASP CA C 3.060 1.587 7.415 1.00 . A A . 18 ASP CA 1 1 8 2552 1 1 18 ASP CB C 2.601 2.791 8.239 1.00 . A A . 18 ASP CB 1 1 8 2553 1 1 18 ASP CG C 1.816 2.308 9.461 1.00 . A A . 18 ASP CG 1 1 8 2554 1 1 18 ASP H H 4.523 2.155 5.944 1.00 . A A . 18 ASP H 1 1 8 2555 1 1 18 ASP HA H 3.854 1.078 7.940 1.00 . A A . 18 ASP HA 1 1 8 2556 1 1 18 ASP HB2 H 3.464 3.353 8.565 1.00 . A A . 18 ASP HB2 1 1 8 2557 1 1 18 ASP HB3 H 1.968 3.422 7.633 1.00 . A A . 18 ASP HB3 1 1 8 2558 1 1 18 ASP N N 3.563 2.062 6.092 1.00 . A A . 18 ASP N 1 1 8 2559 1 1 18 ASP O O 0.736 0.998 7.394 1.00 . A A . 18 ASP O 1 1 8 2560 1 1 18 ASP OD1 O 2.114 1.229 9.943 1.00 . A A . 18 ASP OD1 1 1 8 2561 1 1 18 ASP OD2 O 0.930 3.028 9.893 1.00 . A A . 18 ASP OD2 1 1 8 2562 1 1 19 ILE C C 0.302 -1.789 7.980 1.00 . A A . 19 ILE C 1 1 8 2563 1 1 19 ILE CA C 1.026 -1.565 6.648 1.00 . A A . 19 ILE CA 1 1 8 2564 1 1 19 ILE CB C 1.594 -2.897 6.125 1.00 . A A . 19 ILE CB 1 1 8 2565 1 1 19 ILE CD1 C 2.537 -5.123 6.769 1.00 . A A . 19 ILE CD1 1 1 8 2566 1 1 19 ILE CG1 C 2.094 -3.757 7.291 1.00 . A A . 19 ILE CG1 1 1 8 2567 1 1 19 ILE CG2 C 2.759 -2.618 5.175 1.00 . A A . 19 ILE CG2 1 1 8 2568 1 1 19 ILE H H 3.066 -0.888 6.709 1.00 . A A . 19 ILE H 1 1 8 2569 1 1 19 ILE HA H 0.331 -1.163 5.928 1.00 . A A . 19 ILE HA 1 1 8 2570 1 1 19 ILE HB H 0.822 -3.426 5.591 1.00 . A A . 19 ILE HB 1 1 8 2571 1 1 19 ILE HD11 H 2.981 -5.008 5.793 1.00 . A A . 19 ILE HD11 1 1 8 2572 1 1 19 ILE HD12 H 1.680 -5.777 6.702 1.00 . A A . 19 ILE HD12 1 1 8 2573 1 1 19 ILE HD13 H 3.261 -5.549 7.448 1.00 . A A . 19 ILE HD13 1 1 8 2574 1 1 19 ILE HG12 H 2.928 -3.266 7.769 1.00 . A A . 19 ILE HG12 1 1 8 2575 1 1 19 ILE HG13 H 1.297 -3.894 8.006 1.00 . A A . 19 ILE HG13 1 1 8 2576 1 1 19 ILE HG21 H 3.685 -2.903 5.651 1.00 . A A . 19 ILE HG21 1 1 8 2577 1 1 19 ILE HG22 H 2.785 -1.565 4.936 1.00 . A A . 19 ILE HG22 1 1 8 2578 1 1 19 ILE HG23 H 2.628 -3.191 4.269 1.00 . A A . 19 ILE HG23 1 1 8 2579 1 1 19 ILE N N 2.141 -0.600 6.849 1.00 . A A . 19 ILE N 1 1 8 2580 1 1 19 ILE O O 0.913 -2.104 8.982 1.00 . A A . 19 ILE O 1 1 8 2581 1 1 20 ILE C C -2.694 -3.022 9.129 1.00 . A A . 20 ILE C 1 1 8 2582 1 1 20 ILE CA C -1.729 -1.848 9.282 1.00 . A A . 20 ILE CA 1 1 8 2583 1 1 20 ILE CB C -2.508 -0.585 9.649 1.00 . A A . 20 ILE CB 1 1 8 2584 1 1 20 ILE CD1 C -0.586 -0.083 11.172 1.00 . A A . 20 ILE CD1 1 1 8 2585 1 1 20 ILE CG1 C -1.531 0.496 10.116 1.00 . A A . 20 ILE CG1 1 1 8 2586 1 1 20 ILE CG2 C -3.494 -0.898 10.776 1.00 . A A . 20 ILE CG2 1 1 8 2587 1 1 20 ILE H H -1.478 -1.372 7.189 1.00 . A A . 20 ILE H 1 1 8 2588 1 1 20 ILE HA H -1.023 -2.076 10.068 1.00 . A A . 20 ILE HA 1 1 8 2589 1 1 20 ILE HB H -3.051 -0.233 8.784 1.00 . A A . 20 ILE HB 1 1 8 2590 1 1 20 ILE HD11 H -1.127 -0.776 11.798 1.00 . A A . 20 ILE HD11 1 1 8 2591 1 1 20 ILE HD12 H -0.191 0.718 11.779 1.00 . A A . 20 ILE HD12 1 1 8 2592 1 1 20 ILE HD13 H 0.227 -0.599 10.683 1.00 . A A . 20 ILE HD13 1 1 8 2593 1 1 20 ILE HG12 H -0.956 0.850 9.273 1.00 . A A . 20 ILE HG12 1 1 8 2594 1 1 20 ILE HG13 H -2.084 1.314 10.545 1.00 . A A . 20 ILE HG13 1 1 8 2595 1 1 20 ILE HG21 H -3.383 -0.168 11.565 1.00 . A A . 20 ILE HG21 1 1 8 2596 1 1 20 ILE HG22 H -3.291 -1.884 11.168 1.00 . A A . 20 ILE HG22 1 1 8 2597 1 1 20 ILE HG23 H -4.503 -0.863 10.393 1.00 . A A . 20 ILE HG23 1 1 8 2598 1 1 20 ILE N N -0.993 -1.631 8.005 1.00 . A A . 20 ILE N 1 1 8 2599 1 1 20 ILE O O -3.876 -2.848 8.909 1.00 . A A . 20 ILE O 1 1 8 2600 1 1 21 TRP C C -4.182 -5.367 10.168 1.00 . A A . 21 TRP C 1 1 8 2601 1 1 21 TRP CA C -3.072 -5.418 9.113 1.00 . A A . 21 TRP CA 1 1 8 2602 1 1 21 TRP CB C -2.271 -6.720 9.290 1.00 . A A . 21 TRP CB 1 1 8 2603 1 1 21 TRP CD1 C 0.073 -7.273 10.050 1.00 . A A . 21 TRP CD1 1 1 8 2604 1 1 21 TRP CD2 C -0.801 -5.564 11.225 1.00 . A A . 21 TRP CD2 1 1 8 2605 1 1 21 TRP CE2 C 0.504 -5.783 11.729 1.00 . A A . 21 TRP CE2 1 1 8 2606 1 1 21 TRP CE3 C -1.565 -4.533 11.802 1.00 . A A . 21 TRP CE3 1 1 8 2607 1 1 21 TRP CG C -1.050 -6.523 10.147 1.00 . A A . 21 TRP CG 1 1 8 2608 1 1 21 TRP CH2 C 0.253 -3.993 13.328 1.00 . A A . 21 TRP CH2 1 1 8 2609 1 1 21 TRP CZ2 C 1.028 -5.011 12.767 1.00 . A A . 21 TRP CZ2 1 1 8 2610 1 1 21 TRP CZ3 C -1.040 -3.754 12.847 1.00 . A A . 21 TRP CZ3 1 1 8 2611 1 1 21 TRP H H -1.236 -4.324 9.417 1.00 . A A . 21 TRP H 1 1 8 2612 1 1 21 TRP HA H -3.523 -5.412 8.131 1.00 . A A . 21 TRP HA 1 1 8 2613 1 1 21 TRP HB2 H -2.904 -7.462 9.750 1.00 . A A . 21 TRP HB2 1 1 8 2614 1 1 21 TRP HB3 H -1.965 -7.077 8.317 1.00 . A A . 21 TRP HB3 1 1 8 2615 1 1 21 TRP HD1 H 0.226 -8.082 9.352 1.00 . A A . 21 TRP HD1 1 1 8 2616 1 1 21 TRP HE1 H 1.889 -7.207 11.112 1.00 . A A . 21 TRP HE1 1 1 8 2617 1 1 21 TRP HE3 H -2.558 -4.338 11.439 1.00 . A A . 21 TRP HE3 1 1 8 2618 1 1 21 TRP HH2 H 0.650 -3.389 14.130 1.00 . A A . 21 TRP HH2 1 1 8 2619 1 1 21 TRP HZ2 H 2.027 -5.199 13.133 1.00 . A A . 21 TRP HZ2 1 1 8 2620 1 1 21 TRP HZ3 H -1.638 -2.967 13.282 1.00 . A A . 21 TRP HZ3 1 1 8 2621 1 1 21 TRP N N -2.192 -4.219 9.245 1.00 . A A . 21 TRP N 1 1 8 2622 1 1 21 TRP NE1 N 0.993 -6.833 10.982 1.00 . A A . 21 TRP NE1 1 1 8 2623 1 1 21 TRP O O -4.489 -4.280 10.627 1.00 . A A . 21 TRP O 1 1 8 2624 1 1 21 TRP OXT O -4.704 -6.419 10.498 1.00 . A A . 21 TRP OXT 1 1 9 2625 1 1 1 CYS C C 6.011 -1.916 -5.326 1.00 . A A . 1 CYS C 1 1 9 2626 1 1 1 CYS CA C 6.587 -2.172 -3.933 1.00 . A A . 1 CYS CA 1 1 9 2627 1 1 1 CYS CB C 7.529 -1.030 -3.548 1.00 . A A . 1 CYS CB 1 1 9 2628 1 1 1 CYS H1 H 7.857 -3.555 -4.833 1.00 . A A . 1 CYS H1 1 1 9 2629 1 1 1 CYS H2 H 6.673 -4.250 -3.832 1.00 . A A . 1 CYS H2 1 1 9 2630 1 1 1 CYS H3 H 8.016 -3.467 -3.146 1.00 . A A . 1 CYS H3 1 1 9 2631 1 1 1 CYS HA H 5.780 -2.230 -3.216 1.00 . A A . 1 CYS HA 1 1 9 2632 1 1 1 CYS HB2 H 7.814 -1.133 -2.511 1.00 . A A . 1 CYS HB2 1 1 9 2633 1 1 1 CYS HB3 H 8.413 -1.070 -4.167 1.00 . A A . 1 CYS HB3 1 1 9 2634 1 1 1 CYS N N 7.341 -3.458 -3.936 1.00 . A A . 1 CYS N 1 1 9 2635 1 1 1 CYS O O 6.730 -1.639 -6.266 1.00 . A A . 1 CYS O 1 1 9 2636 1 1 1 CYS SG S 6.697 0.560 -3.789 1.00 . A A . 1 CYS SG 1 1 9 2637 1 1 2 SER C C 2.605 -2.120 -6.738 1.00 . A A . 2 SER C 1 1 9 2638 1 1 2 SER CA C 4.093 -1.766 -6.799 1.00 . A A . 2 SER CA 1 1 9 2639 1 1 2 SER CB C 4.781 -2.640 -7.848 1.00 . A A . 2 SER CB 1 1 9 2640 1 1 2 SER H H 4.155 -2.230 -4.696 1.00 . A A . 2 SER H 1 1 9 2641 1 1 2 SER HA H 4.205 -0.726 -7.067 1.00 . A A . 2 SER HA 1 1 9 2642 1 1 2 SER HB2 H 5.683 -3.059 -7.435 1.00 . A A . 2 SER HB2 1 1 9 2643 1 1 2 SER HB3 H 4.115 -3.441 -8.141 1.00 . A A . 2 SER HB3 1 1 9 2644 1 1 2 SER HG H 5.551 -1.050 -8.665 1.00 . A A . 2 SER HG 1 1 9 2645 1 1 2 SER N N 4.716 -2.006 -5.467 1.00 . A A . 2 SER N 1 1 9 2646 1 1 2 SER O O 2.229 -3.274 -6.775 1.00 . A A . 2 SER O 1 1 9 2647 1 1 2 SER OG O 5.110 -1.843 -8.978 1.00 . A A . 2 SER OG 1 1 9 2648 1 1 3 CYS C C -0.394 -0.737 -7.781 1.00 . A A . 3 CYS C 1 1 9 2649 1 1 3 CYS CA C 0.291 -1.415 -6.588 1.00 . A A . 3 CYS CA 1 1 9 2650 1 1 3 CYS CB C -0.281 -0.865 -5.273 1.00 . A A . 3 CYS CB 1 1 9 2651 1 1 3 CYS H H 2.075 -0.208 -6.622 1.00 . A A . 3 CYS H 1 1 9 2652 1 1 3 CYS HA H 0.131 -2.483 -6.634 1.00 . A A . 3 CYS HA 1 1 9 2653 1 1 3 CYS HB2 H -0.003 -1.518 -4.461 1.00 . A A . 3 CYS HB2 1 1 9 2654 1 1 3 CYS HB3 H 0.118 0.122 -5.093 1.00 . A A . 3 CYS HB3 1 1 9 2655 1 1 3 CYS N N 1.753 -1.134 -6.647 1.00 . A A . 3 CYS N 1 1 9 2656 1 1 3 CYS O O 0.150 0.162 -8.390 1.00 . A A . 3 CYS O 1 1 9 2657 1 1 3 CYS SG S -2.087 -0.777 -5.364 1.00 . A A . 3 CYS SG 1 1 9 2658 1 1 4 SER C C -2.282 0.993 -9.085 1.00 . A A . 4 SER C 1 1 9 2659 1 1 4 SER CA C -2.296 -0.524 -9.264 1.00 . A A . 4 SER CA 1 1 9 2660 1 1 4 SER CB C -3.742 -1.020 -9.308 1.00 . A A . 4 SER CB 1 1 9 2661 1 1 4 SER H H -2.015 -1.876 -7.612 1.00 . A A . 4 SER H 1 1 9 2662 1 1 4 SER HA H -1.797 -0.781 -10.184 1.00 . A A . 4 SER HA 1 1 9 2663 1 1 4 SER HB2 H -3.763 -2.047 -9.631 1.00 . A A . 4 SER HB2 1 1 9 2664 1 1 4 SER HB3 H -4.176 -0.948 -8.319 1.00 . A A . 4 SER HB3 1 1 9 2665 1 1 4 SER HG H -5.162 0.241 -9.731 1.00 . A A . 4 SER HG 1 1 9 2666 1 1 4 SER N N -1.586 -1.155 -8.118 1.00 . A A . 4 SER N 1 1 9 2667 1 1 4 SER O O -1.917 1.734 -9.976 1.00 . A A . 4 SER O 1 1 9 2668 1 1 4 SER OG O -4.484 -0.226 -10.223 1.00 . A A . 4 SER OG 1 1 9 2669 1 1 5 SER C C -1.812 3.213 -6.435 1.00 . A A . 5 SER C 1 1 9 2670 1 1 5 SER CA C -2.670 2.924 -7.679 1.00 . A A . 5 SER CA 1 1 9 2671 1 1 5 SER CB C -4.109 3.400 -7.449 1.00 . A A . 5 SER CB 1 1 9 2672 1 1 5 SER H H -2.950 0.838 -7.228 1.00 . A A . 5 SER H 1 1 9 2673 1 1 5 SER HA H -2.255 3.430 -8.541 1.00 . A A . 5 SER HA 1 1 9 2674 1 1 5 SER HB2 H -4.367 4.140 -8.189 1.00 . A A . 5 SER HB2 1 1 9 2675 1 1 5 SER HB3 H -4.783 2.557 -7.541 1.00 . A A . 5 SER HB3 1 1 9 2676 1 1 5 SER HG H -4.335 3.261 -5.522 1.00 . A A . 5 SER HG 1 1 9 2677 1 1 5 SER N N -2.668 1.458 -7.932 1.00 . A A . 5 SER N 1 1 9 2678 1 1 5 SER O O -2.116 2.768 -5.347 1.00 . A A . 5 SER O 1 1 9 2679 1 1 5 SER OG O -4.223 3.975 -6.154 1.00 . A A . 5 SER OG 1 1 9 2680 1 1 6 LEU C C -0.587 4.983 -4.309 1.00 . A A . 6 LEU C 1 1 9 2681 1 1 6 LEU CA C 0.160 4.216 -5.420 1.00 . A A . 6 LEU CA 1 1 9 2682 1 1 6 LEU CB C 1.369 5.041 -5.878 1.00 . A A . 6 LEU CB 1 1 9 2683 1 1 6 LEU CD1 C 2.222 3.322 -7.482 1.00 . A A . 6 LEU CD1 1 1 9 2684 1 1 6 LEU CD2 C 3.812 4.910 -6.389 1.00 . A A . 6 LEU CD2 1 1 9 2685 1 1 6 LEU CG C 2.529 4.097 -6.200 1.00 . A A . 6 LEU CG 1 1 9 2686 1 1 6 LEU H H -0.486 4.262 -7.481 1.00 . A A . 6 LEU H 1 1 9 2687 1 1 6 LEU HA H 0.518 3.278 -5.020 1.00 . A A . 6 LEU HA 1 1 9 2688 1 1 6 LEU HB2 H 1.116 5.615 -6.758 1.00 . A A . 6 LEU HB2 1 1 9 2689 1 1 6 LEU HB3 H 1.667 5.712 -5.086 1.00 . A A . 6 LEU HB3 1 1 9 2690 1 1 6 LEU HD11 H 1.299 3.683 -7.910 1.00 . A A . 6 LEU HD11 1 1 9 2691 1 1 6 LEU HD12 H 2.124 2.270 -7.252 1.00 . A A . 6 LEU HD12 1 1 9 2692 1 1 6 LEU HD13 H 3.026 3.461 -8.188 1.00 . A A . 6 LEU HD13 1 1 9 2693 1 1 6 LEU HD21 H 4.600 4.485 -5.786 1.00 . A A . 6 LEU HD21 1 1 9 2694 1 1 6 LEU HD22 H 3.637 5.932 -6.087 1.00 . A A . 6 LEU HD22 1 1 9 2695 1 1 6 LEU HD23 H 4.102 4.885 -7.430 1.00 . A A . 6 LEU HD23 1 1 9 2696 1 1 6 LEU HG H 2.658 3.401 -5.385 1.00 . A A . 6 LEU HG 1 1 9 2697 1 1 6 LEU N N -0.730 3.931 -6.592 1.00 . A A . 6 LEU N 1 1 9 2698 1 1 6 LEU O O -0.116 5.063 -3.192 1.00 . A A . 6 LEU O 1 1 9 2699 1 1 7 MET C C -3.628 5.508 -2.972 1.00 . A A . 7 MET C 1 1 9 2700 1 1 7 MET CA C -2.452 6.329 -3.533 1.00 . A A . 7 MET CA 1 1 9 2701 1 1 7 MET CB C -2.984 7.630 -4.143 1.00 . A A . 7 MET CB 1 1 9 2702 1 1 7 MET CE C -3.931 10.784 -4.412 1.00 . A A . 7 MET CE 1 1 9 2703 1 1 7 MET CG C -3.786 8.413 -3.098 1.00 . A A . 7 MET CG 1 1 9 2704 1 1 7 MET H H -2.098 5.517 -5.492 1.00 . A A . 7 MET H 1 1 9 2705 1 1 7 MET HA H -1.765 6.569 -2.733 1.00 . A A . 7 MET HA 1 1 9 2706 1 1 7 MET HB2 H -2.153 8.233 -4.481 1.00 . A A . 7 MET HB2 1 1 9 2707 1 1 7 MET HB3 H -3.623 7.398 -4.982 1.00 . A A . 7 MET HB3 1 1 9 2708 1 1 7 MET HE1 H -4.302 9.982 -5.034 1.00 . A A . 7 MET HE1 1 1 9 2709 1 1 7 MET HE2 H -3.224 11.374 -4.974 1.00 . A A . 7 MET HE2 1 1 9 2710 1 1 7 MET HE3 H -4.753 11.414 -4.098 1.00 . A A . 7 MET HE3 1 1 9 2711 1 1 7 MET HG2 H -4.820 8.464 -3.407 1.00 . A A . 7 MET HG2 1 1 9 2712 1 1 7 MET HG3 H -3.722 7.916 -2.142 1.00 . A A . 7 MET HG3 1 1 9 2713 1 1 7 MET N N -1.728 5.565 -4.592 1.00 . A A . 7 MET N 1 1 9 2714 1 1 7 MET O O -4.615 6.059 -2.526 1.00 . A A . 7 MET O 1 1 9 2715 1 1 7 MET SD S -3.117 10.087 -2.954 1.00 . A A . 7 MET SD 1 1 9 2716 1 1 8 ASP C C -4.563 3.350 -0.904 1.00 . A A . 8 ASP C 1 1 9 2717 1 1 8 ASP CA C -4.663 3.384 -2.430 1.00 . A A . 8 ASP CA 1 1 9 2718 1 1 8 ASP CB C -4.582 1.954 -2.971 1.00 . A A . 8 ASP CB 1 1 9 2719 1 1 8 ASP CG C -5.993 1.432 -3.246 1.00 . A A . 8 ASP CG 1 1 9 2720 1 1 8 ASP H H -2.744 3.762 -3.331 1.00 . A A . 8 ASP H 1 1 9 2721 1 1 8 ASP HA H -5.605 3.827 -2.719 1.00 . A A . 8 ASP HA 1 1 9 2722 1 1 8 ASP HB2 H -4.010 1.943 -3.887 1.00 . A A . 8 ASP HB2 1 1 9 2723 1 1 8 ASP HB3 H -4.103 1.319 -2.241 1.00 . A A . 8 ASP HB3 1 1 9 2724 1 1 8 ASP N N -3.541 4.202 -2.977 1.00 . A A . 8 ASP N 1 1 9 2725 1 1 8 ASP O O -3.814 4.097 -0.305 1.00 . A A . 8 ASP O 1 1 9 2726 1 1 8 ASP OD1 O -6.937 2.124 -2.903 1.00 . A A . 8 ASP OD1 1 1 9 2727 1 1 8 ASP OD2 O -6.105 0.348 -3.796 1.00 . A A . 8 ASP OD2 1 1 9 2728 1 1 9 LYS C C -4.470 1.140 1.634 1.00 . A A . 9 LYS C 1 1 9 2729 1 1 9 LYS CA C -5.243 2.404 1.220 1.00 . A A . 9 LYS CA 1 1 9 2730 1 1 9 LYS CB C -6.664 2.380 1.806 1.00 . A A . 9 LYS CB 1 1 9 2731 1 1 9 LYS CD C -6.938 4.874 1.850 1.00 . A A . 9 LYS CD 1 1 9 2732 1 1 9 LYS CE C -5.829 5.417 0.947 1.00 . A A . 9 LYS CE 1 1 9 2733 1 1 9 LYS CG C -7.479 3.565 1.266 1.00 . A A . 9 LYS CG 1 1 9 2734 1 1 9 LYS H H -5.899 1.889 -0.772 1.00 . A A . 9 LYS H 1 1 9 2735 1 1 9 LYS HA H -4.715 3.270 1.597 1.00 . A A . 9 LYS HA 1 1 9 2736 1 1 9 LYS HB2 H -7.151 1.457 1.534 1.00 . A A . 9 LYS HB2 1 1 9 2737 1 1 9 LYS HB3 H -6.608 2.451 2.884 1.00 . A A . 9 LYS HB3 1 1 9 2738 1 1 9 LYS HD2 H -7.739 5.596 1.913 1.00 . A A . 9 LYS HD2 1 1 9 2739 1 1 9 LYS HD3 H -6.539 4.690 2.836 1.00 . A A . 9 LYS HD3 1 1 9 2740 1 1 9 LYS HE2 H -4.868 5.114 1.332 1.00 . A A . 9 LYS HE2 1 1 9 2741 1 1 9 LYS HE3 H -5.956 5.028 -0.053 1.00 . A A . 9 LYS HE3 1 1 9 2742 1 1 9 LYS HG2 H -7.408 3.594 0.188 1.00 . A A . 9 LYS HG2 1 1 9 2743 1 1 9 LYS HG3 H -8.515 3.451 1.553 1.00 . A A . 9 LYS HG3 1 1 9 2744 1 1 9 LYS HZ1 H -5.505 7.293 1.790 1.00 . A A . 9 LYS HZ1 1 1 9 2745 1 1 9 LYS HZ2 H -6.897 7.201 0.821 1.00 . A A . 9 LYS HZ2 1 1 9 2746 1 1 9 LYS HZ3 H -5.360 7.261 0.101 1.00 . A A . 9 LYS HZ3 1 1 9 2747 1 1 9 LYS N N -5.306 2.485 -0.269 1.00 . A A . 9 LYS N 1 1 9 2748 1 1 9 LYS NZ N -5.903 6.905 0.912 1.00 . A A . 9 LYS NZ 1 1 9 2749 1 1 9 LYS O O -3.321 1.215 2.020 1.00 . A A . 9 LYS O 1 1 9 2750 1 1 10 GLU C C -3.390 -1.670 0.833 1.00 . A A . 10 GLU C 1 1 9 2751 1 1 10 GLU CA C -4.342 -1.259 1.955 1.00 . A A . 10 GLU CA 1 1 9 2752 1 1 10 GLU CB C -5.336 -2.392 2.216 1.00 . A A . 10 GLU CB 1 1 9 2753 1 1 10 GLU CD C -7.479 -2.925 3.381 1.00 . A A . 10 GLU CD 1 1 9 2754 1 1 10 GLU CG C -6.636 -1.809 2.763 1.00 . A A . 10 GLU CG 1 1 9 2755 1 1 10 GLU H H -6.000 -0.082 1.250 1.00 . A A . 10 GLU H 1 1 9 2756 1 1 10 GLU HA H -3.774 -1.064 2.851 1.00 . A A . 10 GLU HA 1 1 9 2757 1 1 10 GLU HB2 H -5.535 -2.915 1.292 1.00 . A A . 10 GLU HB2 1 1 9 2758 1 1 10 GLU HB3 H -4.920 -3.079 2.937 1.00 . A A . 10 GLU HB3 1 1 9 2759 1 1 10 GLU HG2 H -6.405 -1.069 3.516 1.00 . A A . 10 GLU HG2 1 1 9 2760 1 1 10 GLU HG3 H -7.186 -1.346 1.959 1.00 . A A . 10 GLU HG3 1 1 9 2761 1 1 10 GLU N N -5.074 -0.022 1.561 1.00 . A A . 10 GLU N 1 1 9 2762 1 1 10 GLU O O -2.324 -2.203 1.072 1.00 . A A . 10 GLU O 1 1 9 2763 1 1 10 GLU OE1 O -7.749 -3.890 2.685 1.00 . A A . 10 GLU OE1 1 1 9 2764 1 1 10 GLU OE2 O -7.841 -2.796 4.539 1.00 . A A . 10 GLU OE2 1 1 9 2765 1 1 11 CYS C C -1.608 -0.902 -1.414 1.00 . A A . 11 CYS C 1 1 9 2766 1 1 11 CYS CA C -2.860 -1.765 -1.522 1.00 . A A . 11 CYS CA 1 1 9 2767 1 1 11 CYS CB C -3.580 -1.479 -2.842 1.00 . A A . 11 CYS CB 1 1 9 2768 1 1 11 CYS H H -4.604 -0.960 -0.564 1.00 . A A . 11 CYS H 1 1 9 2769 1 1 11 CYS HA H -2.594 -2.806 -1.466 1.00 . A A . 11 CYS HA 1 1 9 2770 1 1 11 CYS HB2 H -4.592 -1.851 -2.787 1.00 . A A . 11 CYS HB2 1 1 9 2771 1 1 11 CYS HB3 H -3.597 -0.414 -3.019 1.00 . A A . 11 CYS HB3 1 1 9 2772 1 1 11 CYS N N -3.754 -1.409 -0.392 1.00 . A A . 11 CYS N 1 1 9 2773 1 1 11 CYS O O -0.580 -1.185 -1.997 1.00 . A A . 11 CYS O 1 1 9 2774 1 1 11 CYS SG S -2.710 -2.300 -4.197 1.00 . A A . 11 CYS SG 1 1 9 2775 1 1 12 VAL C C 0.399 0.510 0.583 1.00 . A A . 12 VAL C 1 1 9 2776 1 1 12 VAL CA C -0.556 1.072 -0.479 1.00 . A A . 12 VAL CA 1 1 9 2777 1 1 12 VAL CB C -1.111 2.429 -0.039 1.00 . A A . 12 VAL CB 1 1 9 2778 1 1 12 VAL CG1 C -0.038 3.234 0.679 1.00 . A A . 12 VAL CG1 1 1 9 2779 1 1 12 VAL CG2 C -1.581 3.188 -1.274 1.00 . A A . 12 VAL CG2 1 1 9 2780 1 1 12 VAL H H -2.551 0.355 -0.214 1.00 . A A . 12 VAL H 1 1 9 2781 1 1 12 VAL HA H -0.032 1.186 -1.414 1.00 . A A . 12 VAL HA 1 1 9 2782 1 1 12 VAL HB H -1.947 2.279 0.626 1.00 . A A . 12 VAL HB 1 1 9 2783 1 1 12 VAL HG11 H -0.237 3.224 1.740 1.00 . A A . 12 VAL HG11 1 1 9 2784 1 1 12 VAL HG12 H -0.052 4.250 0.317 1.00 . A A . 12 VAL HG12 1 1 9 2785 1 1 12 VAL HG13 H 0.927 2.792 0.488 1.00 . A A . 12 VAL HG13 1 1 9 2786 1 1 12 VAL HG21 H -0.792 3.195 -2.011 1.00 . A A . 12 VAL HG21 1 1 9 2787 1 1 12 VAL HG22 H -1.830 4.201 -1.000 1.00 . A A . 12 VAL HG22 1 1 9 2788 1 1 12 VAL HG23 H -2.451 2.699 -1.684 1.00 . A A . 12 VAL HG23 1 1 9 2789 1 1 12 VAL N N -1.705 0.156 -0.663 1.00 . A A . 12 VAL N 1 1 9 2790 1 1 12 VAL O O 1.600 0.665 0.493 1.00 . A A . 12 VAL O 1 1 9 2791 1 1 13 TYR C C 1.703 -1.724 2.044 1.00 . A A . 13 TYR C 1 1 9 2792 1 1 13 TYR CA C 0.749 -0.700 2.653 1.00 . A A . 13 TYR CA 1 1 9 2793 1 1 13 TYR CB C -0.122 -1.382 3.708 1.00 . A A . 13 TYR CB 1 1 9 2794 1 1 13 TYR CD1 C -0.634 0.956 4.497 1.00 . A A . 13 TYR CD1 1 1 9 2795 1 1 13 TYR CD2 C -2.354 -0.744 4.684 1.00 . A A . 13 TYR CD2 1 1 9 2796 1 1 13 TYR CE1 C -1.505 1.898 5.056 1.00 . A A . 13 TYR CE1 1 1 9 2797 1 1 13 TYR CE2 C -3.224 0.200 5.243 1.00 . A A . 13 TYR CE2 1 1 9 2798 1 1 13 TYR CG C -1.059 -0.367 4.311 1.00 . A A . 13 TYR CG 1 1 9 2799 1 1 13 TYR CZ C -2.799 1.521 5.429 1.00 . A A . 13 TYR CZ 1 1 9 2800 1 1 13 TYR H H -1.092 -0.251 1.646 1.00 . A A . 13 TYR H 1 1 9 2801 1 1 13 TYR HA H 1.318 0.092 3.111 1.00 . A A . 13 TYR HA 1 1 9 2802 1 1 13 TYR HB2 H -0.696 -2.172 3.246 1.00 . A A . 13 TYR HB2 1 1 9 2803 1 1 13 TYR HB3 H 0.505 -1.797 4.483 1.00 . A A . 13 TYR HB3 1 1 9 2804 1 1 13 TYR HD1 H 0.364 1.248 4.210 1.00 . A A . 13 TYR HD1 1 1 9 2805 1 1 13 TYR HD2 H -2.681 -1.764 4.541 1.00 . A A . 13 TYR HD2 1 1 9 2806 1 1 13 TYR HE1 H -1.178 2.917 5.199 1.00 . A A . 13 TYR HE1 1 1 9 2807 1 1 13 TYR HE2 H -4.224 -0.092 5.532 1.00 . A A . 13 TYR HE2 1 1 9 2808 1 1 13 TYR HH H -3.207 2.868 6.718 1.00 . A A . 13 TYR HH 1 1 9 2809 1 1 13 TYR N N -0.124 -0.137 1.589 1.00 . A A . 13 TYR N 1 1 9 2810 1 1 13 TYR O O 2.756 -2.005 2.582 1.00 . A A . 13 TYR O 1 1 9 2811 1 1 13 TYR OH O -3.657 2.450 5.980 1.00 . A A . 13 TYR OH 1 1 9 2812 1 1 14 PHE C C 3.517 -2.653 -0.191 1.00 . A A . 14 PHE C 1 1 9 2813 1 1 14 PHE CA C 2.220 -3.307 0.297 1.00 . A A . 14 PHE CA 1 1 9 2814 1 1 14 PHE CB C 1.481 -3.950 -0.878 1.00 . A A . 14 PHE CB 1 1 9 2815 1 1 14 PHE CD1 C -0.165 -4.561 0.941 1.00 . A A . 14 PHE CD1 1 1 9 2816 1 1 14 PHE CD2 C -0.898 -4.633 -1.369 1.00 . A A . 14 PHE CD2 1 1 9 2817 1 1 14 PHE CE1 C -1.436 -4.968 1.360 1.00 . A A . 14 PHE CE1 1 1 9 2818 1 1 14 PHE CE2 C -2.170 -5.041 -0.949 1.00 . A A . 14 PHE CE2 1 1 9 2819 1 1 14 PHE CG C 0.106 -4.391 -0.425 1.00 . A A . 14 PHE CG 1 1 9 2820 1 1 14 PHE CZ C -2.438 -5.208 0.415 1.00 . A A . 14 PHE CZ 1 1 9 2821 1 1 14 PHE H H 0.480 -2.060 0.520 1.00 . A A . 14 PHE H 1 1 9 2822 1 1 14 PHE HA H 2.458 -4.067 1.026 1.00 . A A . 14 PHE HA 1 1 9 2823 1 1 14 PHE HB2 H 1.383 -3.231 -1.679 1.00 . A A . 14 PHE HB2 1 1 9 2824 1 1 14 PHE HB3 H 2.036 -4.807 -1.228 1.00 . A A . 14 PHE HB3 1 1 9 2825 1 1 14 PHE HD1 H 0.610 -4.375 1.671 1.00 . A A . 14 PHE HD1 1 1 9 2826 1 1 14 PHE HD2 H -0.693 -4.504 -2.422 1.00 . A A . 14 PHE HD2 1 1 9 2827 1 1 14 PHE HE1 H -1.642 -5.098 2.412 1.00 . A A . 14 PHE HE1 1 1 9 2828 1 1 14 PHE HE2 H -2.946 -5.227 -1.678 1.00 . A A . 14 PHE HE2 1 1 9 2829 1 1 14 PHE HZ H -3.419 -5.523 0.738 1.00 . A A . 14 PHE HZ 1 1 9 2830 1 1 14 PHE N N 1.339 -2.292 0.932 1.00 . A A . 14 PHE N 1 1 9 2831 1 1 14 PHE O O 4.549 -3.290 -0.261 1.00 . A A . 14 PHE O 1 1 9 2832 1 1 15 CYS C C 5.575 -0.252 0.186 1.00 . A A . 15 CYS C 1 1 9 2833 1 1 15 CYS CA C 4.728 -0.718 -1.008 1.00 . A A . 15 CYS CA 1 1 9 2834 1 1 15 CYS CB C 4.357 0.490 -1.867 1.00 . A A . 15 CYS CB 1 1 9 2835 1 1 15 CYS H H 2.643 -0.883 -0.473 1.00 . A A . 15 CYS H 1 1 9 2836 1 1 15 CYS HA H 5.303 -1.415 -1.603 1.00 . A A . 15 CYS HA 1 1 9 2837 1 1 15 CYS HB2 H 3.306 0.693 -1.762 1.00 . A A . 15 CYS HB2 1 1 9 2838 1 1 15 CYS HB3 H 4.921 1.351 -1.545 1.00 . A A . 15 CYS HB3 1 1 9 2839 1 1 15 CYS N N 3.483 -1.389 -0.530 1.00 . A A . 15 CYS N 1 1 9 2840 1 1 15 CYS O O 6.383 0.647 0.062 1.00 . A A . 15 CYS O 1 1 9 2841 1 1 15 CYS SG S 4.730 0.136 -3.601 1.00 . A A . 15 CYS SG 1 1 9 2842 1 1 16 HIS C C 5.650 0.858 3.113 1.00 . A A . 16 HIS C 1 1 9 2843 1 1 16 HIS CA C 6.212 -0.440 2.524 1.00 . A A . 16 HIS CA 1 1 9 2844 1 1 16 HIS CB C 7.665 -0.215 2.099 1.00 . A A . 16 HIS CB 1 1 9 2845 1 1 16 HIS CD2 C 8.906 -0.696 4.365 1.00 . A A . 16 HIS CD2 1 1 9 2846 1 1 16 HIS CE1 C 10.023 -2.446 3.748 1.00 . A A . 16 HIS CE1 1 1 9 2847 1 1 16 HIS CG C 8.583 -0.930 3.052 1.00 . A A . 16 HIS CG 1 1 9 2848 1 1 16 HIS H H 4.755 -1.578 1.423 1.00 . A A . 16 HIS H 1 1 9 2849 1 1 16 HIS HA H 6.179 -1.221 3.271 1.00 . A A . 16 HIS HA 1 1 9 2850 1 1 16 HIS HB2 H 7.812 -0.600 1.101 1.00 . A A . 16 HIS HB2 1 1 9 2851 1 1 16 HIS HB3 H 7.886 0.842 2.114 1.00 . A A . 16 HIS HB3 1 1 9 2852 1 1 16 HIS HD1 H 9.300 -2.480 1.797 1.00 . A A . 16 HIS HD1 1 1 9 2853 1 1 16 HIS HD2 H 8.514 0.111 4.968 1.00 . A A . 16 HIS HD2 1 1 9 2854 1 1 16 HIS HE1 H 10.684 -3.300 3.753 1.00 . A A . 16 HIS HE1 1 1 9 2855 1 1 16 HIS N N 5.406 -0.854 1.337 1.00 . A A . 16 HIS N 1 1 9 2856 1 1 16 HIS ND1 N 9.308 -2.052 2.679 1.00 . A A . 16 HIS ND1 1 1 9 2857 1 1 16 HIS NE2 N 9.815 -1.654 4.804 1.00 . A A . 16 HIS NE2 1 1 9 2858 1 1 16 HIS O O 6.388 1.752 3.477 1.00 . A A . 16 HIS O 1 1 9 2859 1 1 17 LEU C C 3.141 1.935 5.135 1.00 . A A . 17 LEU C 1 1 9 2860 1 1 17 LEU CA C 3.757 2.219 3.762 1.00 . A A . 17 LEU CA 1 1 9 2861 1 1 17 LEU CB C 2.666 2.702 2.820 1.00 . A A . 17 LEU CB 1 1 9 2862 1 1 17 LEU CD1 C 3.480 2.416 0.475 1.00 . A A . 17 LEU CD1 1 1 9 2863 1 1 17 LEU CD2 C 2.389 4.553 1.166 1.00 . A A . 17 LEU CD2 1 1 9 2864 1 1 17 LEU CG C 3.299 3.411 1.622 1.00 . A A . 17 LEU CG 1 1 9 2865 1 1 17 LEU H H 3.764 0.259 2.906 1.00 . A A . 17 LEU H 1 1 9 2866 1 1 17 LEU HA H 4.518 2.978 3.854 1.00 . A A . 17 LEU HA 1 1 9 2867 1 1 17 LEU HB2 H 2.087 1.860 2.481 1.00 . A A . 17 LEU HB2 1 1 9 2868 1 1 17 LEU HB3 H 2.029 3.378 3.342 1.00 . A A . 17 LEU HB3 1 1 9 2869 1 1 17 LEU HD11 H 3.531 1.413 0.874 1.00 . A A . 17 LEU HD11 1 1 9 2870 1 1 17 LEU HD12 H 4.394 2.639 -0.055 1.00 . A A . 17 LEU HD12 1 1 9 2871 1 1 17 LEU HD13 H 2.643 2.491 -0.204 1.00 . A A . 17 LEU HD13 1 1 9 2872 1 1 17 LEU HD21 H 2.024 4.347 0.170 1.00 . A A . 17 LEU HD21 1 1 9 2873 1 1 17 LEU HD22 H 2.946 5.478 1.163 1.00 . A A . 17 LEU HD22 1 1 9 2874 1 1 17 LEU HD23 H 1.552 4.638 1.844 1.00 . A A . 17 LEU HD23 1 1 9 2875 1 1 17 LEU HG H 4.262 3.809 1.908 1.00 . A A . 17 LEU HG 1 1 9 2876 1 1 17 LEU N N 4.351 0.978 3.207 1.00 . A A . 17 LEU N 1 1 9 2877 1 1 17 LEU O O 1.948 2.062 5.328 1.00 . A A . 17 LEU O 1 1 9 2878 1 1 18 ASP C C 2.088 0.534 7.361 1.00 . A A . 18 ASP C 1 1 9 2879 1 1 18 ASP CA C 3.427 1.273 7.456 1.00 . A A . 18 ASP CA 1 1 9 2880 1 1 18 ASP CB C 3.228 2.592 8.207 1.00 . A A . 18 ASP CB 1 1 9 2881 1 1 18 ASP CG C 2.426 2.338 9.485 1.00 . A A . 18 ASP CG 1 1 9 2882 1 1 18 ASP H H 4.904 1.478 5.903 1.00 . A A . 18 ASP H 1 1 9 2883 1 1 18 ASP HA H 4.139 0.662 7.990 1.00 . A A . 18 ASP HA 1 1 9 2884 1 1 18 ASP HB2 H 4.192 3.008 8.463 1.00 . A A . 18 ASP HB2 1 1 9 2885 1 1 18 ASP HB3 H 2.691 3.285 7.579 1.00 . A A . 18 ASP HB3 1 1 9 2886 1 1 18 ASP N N 3.949 1.561 6.087 1.00 . A A . 18 ASP N 1 1 9 2887 1 1 18 ASP O O 1.041 1.101 7.601 1.00 . A A . 18 ASP O 1 1 9 2888 1 1 18 ASP OD1 O 2.498 1.233 9.997 1.00 . A A . 18 ASP OD1 1 1 9 2889 1 1 18 ASP OD2 O 1.753 3.254 9.930 1.00 . A A . 18 ASP OD2 1 1 9 2890 1 1 19 ILE C C 0.118 -1.467 8.266 1.00 . A A . 19 ILE C 1 1 9 2891 1 1 19 ILE CA C 0.832 -1.486 6.910 1.00 . A A . 19 ILE CA 1 1 9 2892 1 1 19 ILE CB C 1.133 -2.936 6.494 1.00 . A A . 19 ILE CB 1 1 9 2893 1 1 19 ILE CD1 C 1.713 -5.229 7.312 1.00 . A A . 19 ILE CD1 1 1 9 2894 1 1 19 ILE CG1 C 1.531 -3.768 7.720 1.00 . A A . 19 ILE CG1 1 1 9 2895 1 1 19 ILE CG2 C 2.280 -2.951 5.483 1.00 . A A . 19 ILE CG2 1 1 9 2896 1 1 19 ILE H H 2.957 -1.171 6.824 1.00 . A A . 19 ILE H 1 1 9 2897 1 1 19 ILE HA H 0.200 -1.023 6.167 1.00 . A A . 19 ILE HA 1 1 9 2898 1 1 19 ILE HB H 0.255 -3.365 6.039 1.00 . A A . 19 ILE HB 1 1 9 2899 1 1 19 ILE HD11 H 1.081 -5.447 6.464 1.00 . A A . 19 ILE HD11 1 1 9 2900 1 1 19 ILE HD12 H 1.438 -5.869 8.139 1.00 . A A . 19 ILE HD12 1 1 9 2901 1 1 19 ILE HD13 H 2.745 -5.404 7.050 1.00 . A A . 19 ILE HD13 1 1 9 2902 1 1 19 ILE HG12 H 2.457 -3.389 8.128 1.00 . A A . 19 ILE HG12 1 1 9 2903 1 1 19 ILE HG13 H 0.755 -3.704 8.466 1.00 . A A . 19 ILE HG13 1 1 9 2904 1 1 19 ILE HG21 H 2.309 -2.006 4.960 1.00 . A A . 19 ILE HG21 1 1 9 2905 1 1 19 ILE HG22 H 2.124 -3.751 4.775 1.00 . A A . 19 ILE HG22 1 1 9 2906 1 1 19 ILE HG23 H 3.214 -3.106 6.001 1.00 . A A . 19 ILE HG23 1 1 9 2907 1 1 19 ILE N N 2.108 -0.726 7.015 1.00 . A A . 19 ILE N 1 1 9 2908 1 1 19 ILE O O 0.691 -1.804 9.282 1.00 . A A . 19 ILE O 1 1 9 2909 1 1 20 ILE C C -3.002 -2.055 9.568 1.00 . A A . 20 ILE C 1 1 9 2910 1 1 20 ILE CA C -1.851 -1.052 9.599 1.00 . A A . 20 ILE CA 1 1 9 2911 1 1 20 ILE CB C -2.399 0.351 9.859 1.00 . A A . 20 ILE CB 1 1 9 2912 1 1 20 ILE CD1 C -0.377 0.661 11.298 1.00 . A A . 20 ILE CD1 1 1 9 2913 1 1 20 ILE CG1 C -1.243 1.292 10.207 1.00 . A A . 20 ILE CG1 1 1 9 2914 1 1 20 ILE CG2 C -3.388 0.310 11.025 1.00 . A A . 20 ILE CG2 1 1 9 2915 1 1 20 ILE H H -1.582 -0.798 7.469 1.00 . A A . 20 ILE H 1 1 9 2916 1 1 20 ILE HA H -1.171 -1.325 10.392 1.00 . A A . 20 ILE HA 1 1 9 2917 1 1 20 ILE HB H -2.903 0.710 8.972 1.00 . A A . 20 ILE HB 1 1 9 2918 1 1 20 ILE HD11 H 0.478 0.180 10.847 1.00 . A A . 20 ILE HD11 1 1 9 2919 1 1 20 ILE HD12 H -0.957 -0.070 11.842 1.00 . A A . 20 ILE HD12 1 1 9 2920 1 1 20 ILE HD13 H -0.039 1.430 11.979 1.00 . A A . 20 ILE HD13 1 1 9 2921 1 1 20 ILE HG12 H -0.643 1.468 9.325 1.00 . A A . 20 ILE HG12 1 1 9 2922 1 1 20 ILE HG13 H -1.642 2.226 10.564 1.00 . A A . 20 ILE HG13 1 1 9 2923 1 1 20 ILE HG21 H -3.077 1.010 11.786 1.00 . A A . 20 ILE HG21 1 1 9 2924 1 1 20 ILE HG22 H -3.412 -0.686 11.442 1.00 . A A . 20 ILE HG22 1 1 9 2925 1 1 20 ILE HG23 H -4.373 0.575 10.671 1.00 . A A . 20 ILE HG23 1 1 9 2926 1 1 20 ILE N N -1.127 -1.076 8.296 1.00 . A A . 20 ILE N 1 1 9 2927 1 1 20 ILE O O -4.150 -1.698 9.389 1.00 . A A . 20 ILE O 1 1 9 2928 1 1 21 TRP C C -4.848 -3.982 10.767 1.00 . A A . 21 TRP C 1 1 9 2929 1 1 21 TRP CA C -3.783 -4.340 9.727 1.00 . A A . 21 TRP CA 1 1 9 2930 1 1 21 TRP CB C -3.227 -5.741 10.036 1.00 . A A . 21 TRP CB 1 1 9 2931 1 1 21 TRP CD1 C -0.988 -6.615 10.809 1.00 . A A . 21 TRP CD1 1 1 9 2932 1 1 21 TRP CD2 C -1.528 -4.685 11.832 1.00 . A A . 21 TRP CD2 1 1 9 2933 1 1 21 TRP CE2 C -0.264 -5.077 12.337 1.00 . A A . 21 TRP CE2 1 1 9 2934 1 1 21 TRP CE3 C -2.091 -3.493 12.321 1.00 . A A . 21 TRP CE3 1 1 9 2935 1 1 21 TRP CG C -1.966 -5.680 10.853 1.00 . A A . 21 TRP CG 1 1 9 2936 1 1 21 TRP CH2 C -0.164 -3.137 13.766 1.00 . A A . 21 TRP CH2 1 1 9 2937 1 1 21 TRP CZ2 C 0.412 -4.317 13.291 1.00 . A A . 21 TRP CZ2 1 1 9 2938 1 1 21 TRP CZ3 C -1.412 -2.724 13.281 1.00 . A A . 21 TRP CZ3 1 1 9 2939 1 1 21 TRP H H -1.771 -3.572 9.885 1.00 . A A . 21 TRP H 1 1 9 2940 1 1 21 TRP HA H -4.241 -4.351 8.748 1.00 . A A . 21 TRP HA 1 1 9 2941 1 1 21 TRP HB2 H -3.970 -6.300 10.584 1.00 . A A . 21 TRP HB2 1 1 9 2942 1 1 21 TRP HB3 H -3.022 -6.249 9.105 1.00 . A A . 21 TRP HB3 1 1 9 2943 1 1 21 TRP HD1 H -0.995 -7.499 10.187 1.00 . A A . 21 TRP HD1 1 1 9 2944 1 1 21 TRP HE1 H 0.843 -6.767 11.835 1.00 . A A . 21 TRP HE1 1 1 9 2945 1 1 21 TRP HE3 H -3.047 -3.164 11.953 1.00 . A A . 21 TRP HE3 1 1 9 2946 1 1 21 TRP HH2 H 0.352 -2.542 14.505 1.00 . A A . 21 TRP HH2 1 1 9 2947 1 1 21 TRP HZ2 H 1.375 -4.640 13.660 1.00 . A A . 21 TRP HZ2 1 1 9 2948 1 1 21 TRP HZ3 H -1.856 -1.811 13.649 1.00 . A A . 21 TRP HZ3 1 1 9 2949 1 1 21 TRP N N -2.702 -3.312 9.744 1.00 . A A . 21 TRP N 1 1 9 2950 1 1 21 TRP NE1 N 0.019 -6.258 11.684 1.00 . A A . 21 TRP NE1 1 1 9 2951 1 1 21 TRP O O -4.811 -4.552 11.844 1.00 . A A . 21 TRP O 1 1 9 2952 1 1 21 TRP OXT O -5.682 -3.143 10.467 1.00 . A A . 21 TRP OXT 1 1 10 2953 1 1 1 CYS C C 6.183 -2.294 -5.718 1.00 . A A . 1 CYS C 1 1 10 2954 1 1 1 CYS CA C 6.891 -3.099 -4.626 1.00 . A A . 1 CYS CA 1 1 10 2955 1 1 1 CYS CB C 6.562 -2.504 -3.254 1.00 . A A . 1 CYS CB 1 1 10 2956 1 1 1 CYS H1 H 8.667 -3.897 -5.364 1.00 . A A . 1 CYS H1 1 1 10 2957 1 1 1 CYS H2 H 8.852 -3.007 -3.928 1.00 . A A . 1 CYS H2 1 1 10 2958 1 1 1 CYS H3 H 8.603 -2.203 -5.404 1.00 . A A . 1 CYS H3 1 1 10 2959 1 1 1 CYS HA H 6.558 -4.126 -4.661 1.00 . A A . 1 CYS HA 1 1 10 2960 1 1 1 CYS HB2 H 5.530 -2.710 -3.011 1.00 . A A . 1 CYS HB2 1 1 10 2961 1 1 1 CYS HB3 H 7.202 -2.947 -2.507 1.00 . A A . 1 CYS HB3 1 1 10 2962 1 1 1 CYS N N 8.364 -3.047 -4.847 1.00 . A A . 1 CYS N 1 1 10 2963 1 1 1 CYS O O 6.814 -1.706 -6.574 1.00 . A A . 1 CYS O 1 1 10 2964 1 1 1 CYS SG S 6.825 -0.712 -3.288 1.00 . A A . 1 CYS SG 1 1 10 2965 1 1 2 SER C C 2.668 -1.926 -6.742 1.00 . A A . 2 SER C 1 1 10 2966 1 1 2 SER CA C 4.136 -1.493 -6.733 1.00 . A A . 2 SER CA 1 1 10 2967 1 1 2 SER CB C 4.753 -1.761 -8.105 1.00 . A A . 2 SER CB 1 1 10 2968 1 1 2 SER H H 4.388 -2.741 -4.995 1.00 . A A . 2 SER H 1 1 10 2969 1 1 2 SER HA H 4.198 -0.438 -6.510 1.00 . A A . 2 SER HA 1 1 10 2970 1 1 2 SER HB2 H 5.560 -1.070 -8.281 1.00 . A A . 2 SER HB2 1 1 10 2971 1 1 2 SER HB3 H 5.135 -2.773 -8.136 1.00 . A A . 2 SER HB3 1 1 10 2972 1 1 2 SER HG H 3.510 -0.658 -9.117 1.00 . A A . 2 SER HG 1 1 10 2973 1 1 2 SER N N 4.878 -2.263 -5.695 1.00 . A A . 2 SER N 1 1 10 2974 1 1 2 SER O O 2.350 -3.076 -6.974 1.00 . A A . 2 SER O 1 1 10 2975 1 1 2 SER OG O 3.761 -1.584 -9.108 1.00 . A A . 2 SER OG 1 1 10 2976 1 1 3 CYS C C -0.354 -0.657 -7.692 1.00 . A A . 3 CYS C 1 1 10 2977 1 1 3 CYS CA C 0.321 -1.364 -6.510 1.00 . A A . 3 CYS CA 1 1 10 2978 1 1 3 CYS CB C -0.326 -0.918 -5.187 1.00 . A A . 3 CYS CB 1 1 10 2979 1 1 3 CYS H H 2.048 -0.086 -6.328 1.00 . A A . 3 CYS H 1 1 10 2980 1 1 3 CYS HA H 0.219 -2.435 -6.619 1.00 . A A . 3 CYS HA 1 1 10 2981 1 1 3 CYS HB2 H -0.056 -1.612 -4.404 1.00 . A A . 3 CYS HB2 1 1 10 2982 1 1 3 CYS HB3 H 0.026 0.070 -4.927 1.00 . A A . 3 CYS HB3 1 1 10 2983 1 1 3 CYS N N 1.770 -1.010 -6.503 1.00 . A A . 3 CYS N 1 1 10 2984 1 1 3 CYS O O 0.170 0.294 -8.235 1.00 . A A . 3 CYS O 1 1 10 2985 1 1 3 CYS SG S -2.130 -0.891 -5.350 1.00 . A A . 3 CYS SG 1 1 10 2986 1 1 4 SER C C -2.135 1.060 -9.067 1.00 . A A . 4 SER C 1 1 10 2987 1 1 4 SER CA C -2.212 -0.456 -9.235 1.00 . A A . 4 SER CA 1 1 10 2988 1 1 4 SER CB C -3.676 -0.895 -9.257 1.00 . A A . 4 SER CB 1 1 10 2989 1 1 4 SER H H -1.923 -1.877 -7.642 1.00 . A A . 4 SER H 1 1 10 2990 1 1 4 SER HA H -1.736 -0.739 -10.158 1.00 . A A . 4 SER HA 1 1 10 2991 1 1 4 SER HB2 H -3.741 -1.925 -9.567 1.00 . A A . 4 SER HB2 1 1 10 2992 1 1 4 SER HB3 H -4.097 -0.793 -8.266 1.00 . A A . 4 SER HB3 1 1 10 2993 1 1 4 SER HG H -4.490 -0.576 -10.995 1.00 . A A . 4 SER HG 1 1 10 2994 1 1 4 SER N N -1.512 -1.111 -8.093 1.00 . A A . 4 SER N 1 1 10 2995 1 1 4 SER O O -1.714 1.775 -9.955 1.00 . A A . 4 SER O 1 1 10 2996 1 1 4 SER OG O -4.395 -0.084 -10.177 1.00 . A A . 4 SER OG 1 1 10 2997 1 1 5 SER C C -1.781 3.283 -6.344 1.00 . A A . 5 SER C 1 1 10 2998 1 1 5 SER CA C -2.477 3.021 -7.692 1.00 . A A . 5 SER CA 1 1 10 2999 1 1 5 SER CB C -3.902 3.586 -7.669 1.00 . A A . 5 SER CB 1 1 10 3000 1 1 5 SER H H -2.860 0.953 -7.229 1.00 . A A . 5 SER H 1 1 10 3001 1 1 5 SER HA H -1.918 3.486 -8.494 1.00 . A A . 5 SER HA 1 1 10 3002 1 1 5 SER HB2 H -4.019 4.302 -8.465 1.00 . A A . 5 SER HB2 1 1 10 3003 1 1 5 SER HB3 H -4.608 2.778 -7.811 1.00 . A A . 5 SER HB3 1 1 10 3004 1 1 5 SER HG H -4.681 3.643 -5.886 1.00 . A A . 5 SER HG 1 1 10 3005 1 1 5 SER N N -2.532 1.552 -7.930 1.00 . A A . 5 SER N 1 1 10 3006 1 1 5 SER O O -2.253 2.865 -5.305 1.00 . A A . 5 SER O 1 1 10 3007 1 1 5 SER OG O -4.142 4.229 -6.423 1.00 . A A . 5 SER OG 1 1 10 3008 1 1 6 LEU C C -0.775 5.019 -4.081 1.00 . A A . 6 LEU C 1 1 10 3009 1 1 6 LEU CA C 0.082 4.207 -5.074 1.00 . A A . 6 LEU CA 1 1 10 3010 1 1 6 LEU CB C 1.374 4.978 -5.369 1.00 . A A . 6 LEU CB 1 1 10 3011 1 1 6 LEU CD1 C 2.368 3.221 -6.847 1.00 . A A . 6 LEU CD1 1 1 10 3012 1 1 6 LEU CD2 C 3.856 4.744 -5.539 1.00 . A A . 6 LEU CD2 1 1 10 3013 1 1 6 LEU CG C 2.527 3.985 -5.531 1.00 . A A . 6 LEU CG 1 1 10 3014 1 1 6 LEU H H -0.278 4.258 -7.205 1.00 . A A . 6 LEU H 1 1 10 3015 1 1 6 LEU HA H 0.342 3.259 -4.623 1.00 . A A . 6 LEU HA 1 1 10 3016 1 1 6 LEU HB2 H 1.263 5.555 -6.275 1.00 . A A . 6 LEU HB2 1 1 10 3017 1 1 6 LEU HB3 H 1.591 5.642 -4.546 1.00 . A A . 6 LEU HB3 1 1 10 3018 1 1 6 LEU HD11 H 2.649 3.860 -7.671 1.00 . A A . 6 LEU HD11 1 1 10 3019 1 1 6 LEU HD12 H 1.339 2.914 -6.964 1.00 . A A . 6 LEU HD12 1 1 10 3020 1 1 6 LEU HD13 H 3.004 2.349 -6.835 1.00 . A A . 6 LEU HD13 1 1 10 3021 1 1 6 LEU HD21 H 3.868 5.440 -6.364 1.00 . A A . 6 LEU HD21 1 1 10 3022 1 1 6 LEU HD22 H 4.670 4.042 -5.649 1.00 . A A . 6 LEU HD22 1 1 10 3023 1 1 6 LEU HD23 H 3.969 5.283 -4.611 1.00 . A A . 6 LEU HD23 1 1 10 3024 1 1 6 LEU HG H 2.514 3.286 -4.708 1.00 . A A . 6 LEU HG 1 1 10 3025 1 1 6 LEU N N -0.653 3.948 -6.354 1.00 . A A . 6 LEU N 1 1 10 3026 1 1 6 LEU O O -0.446 5.110 -2.914 1.00 . A A . 6 LEU O 1 1 10 3027 1 1 7 MET C C -3.738 5.552 -2.891 1.00 . A A . 7 MET C 1 1 10 3028 1 1 7 MET CA C -2.683 6.433 -3.575 1.00 . A A . 7 MET CA 1 1 10 3029 1 1 7 MET CB C -3.379 7.555 -4.353 1.00 . A A . 7 MET CB 1 1 10 3030 1 1 7 MET CE C -6.542 9.772 -3.515 1.00 . A A . 7 MET CE 1 1 10 3031 1 1 7 MET CG C -4.185 8.431 -3.391 1.00 . A A . 7 MET CG 1 1 10 3032 1 1 7 MET H H -2.107 5.566 -5.453 1.00 . A A . 7 MET H 1 1 10 3033 1 1 7 MET HA H -2.041 6.867 -2.823 1.00 . A A . 7 MET HA 1 1 10 3034 1 1 7 MET HB2 H -2.636 8.159 -4.852 1.00 . A A . 7 MET HB2 1 1 10 3035 1 1 7 MET HB3 H -4.044 7.125 -5.088 1.00 . A A . 7 MET HB3 1 1 10 3036 1 1 7 MET HE1 H -6.869 10.784 -3.315 1.00 . A A . 7 MET HE1 1 1 10 3037 1 1 7 MET HE2 H -6.480 9.227 -2.588 1.00 . A A . 7 MET HE2 1 1 10 3038 1 1 7 MET HE3 H -7.248 9.283 -4.172 1.00 . A A . 7 MET HE3 1 1 10 3039 1 1 7 MET HG2 H -4.972 7.844 -2.940 1.00 . A A . 7 MET HG2 1 1 10 3040 1 1 7 MET HG3 H -3.533 8.813 -2.622 1.00 . A A . 7 MET HG3 1 1 10 3041 1 1 7 MET N N -1.852 5.626 -4.516 1.00 . A A . 7 MET N 1 1 10 3042 1 1 7 MET O O -4.472 6.009 -2.038 1.00 . A A . 7 MET O 1 1 10 3043 1 1 7 MET SD S -4.914 9.813 -4.305 1.00 . A A . 7 MET SD 1 1 10 3044 1 1 8 ASP C C -4.649 3.439 -1.088 1.00 . A A . 8 ASP C 1 1 10 3045 1 1 8 ASP CA C -4.839 3.411 -2.607 1.00 . A A . 8 ASP CA 1 1 10 3046 1 1 8 ASP CB C -4.669 1.973 -3.113 1.00 . A A . 8 ASP CB 1 1 10 3047 1 1 8 ASP CG C -6.022 1.259 -3.087 1.00 . A A . 8 ASP CG 1 1 10 3048 1 1 8 ASP H H -3.231 3.945 -3.939 1.00 . A A . 8 ASP H 1 1 10 3049 1 1 8 ASP HA H -5.831 3.763 -2.852 1.00 . A A . 8 ASP HA 1 1 10 3050 1 1 8 ASP HB2 H -4.291 1.985 -4.125 1.00 . A A . 8 ASP HB2 1 1 10 3051 1 1 8 ASP HB3 H -3.975 1.447 -2.476 1.00 . A A . 8 ASP HB3 1 1 10 3052 1 1 8 ASP N N -3.825 4.299 -3.251 1.00 . A A . 8 ASP N 1 1 10 3053 1 1 8 ASP O O -3.966 4.291 -0.554 1.00 . A A . 8 ASP O 1 1 10 3054 1 1 8 ASP OD1 O -6.721 1.394 -2.096 1.00 . A A . 8 ASP OD1 1 1 10 3055 1 1 8 ASP OD2 O -6.336 0.590 -4.058 1.00 . A A . 8 ASP OD2 1 1 10 3056 1 1 9 LYS C C -4.382 1.203 1.536 1.00 . A A . 9 LYS C 1 1 10 3057 1 1 9 LYS CA C -5.098 2.493 1.100 1.00 . A A . 9 LYS CA 1 1 10 3058 1 1 9 LYS CB C -6.479 2.586 1.769 1.00 . A A . 9 LYS CB 1 1 10 3059 1 1 9 LYS CD C -6.647 4.977 0.962 1.00 . A A . 9 LYS CD 1 1 10 3060 1 1 9 LYS CE C -5.938 5.276 2.286 1.00 . A A . 9 LYS CE 1 1 10 3061 1 1 9 LYS CG C -7.362 3.622 1.046 1.00 . A A . 9 LYS CG 1 1 10 3062 1 1 9 LYS H H -5.791 1.837 -0.839 1.00 . A A . 9 LYS H 1 1 10 3063 1 1 9 LYS HA H -4.497 3.337 1.405 1.00 . A A . 9 LYS HA 1 1 10 3064 1 1 9 LYS HB2 H -6.960 1.621 1.733 1.00 . A A . 9 LYS HB2 1 1 10 3065 1 1 9 LYS HB3 H -6.356 2.885 2.800 1.00 . A A . 9 LYS HB3 1 1 10 3066 1 1 9 LYS HD2 H -5.924 4.955 0.160 1.00 . A A . 9 LYS HD2 1 1 10 3067 1 1 9 LYS HD3 H -7.376 5.753 0.765 1.00 . A A . 9 LYS HD3 1 1 10 3068 1 1 9 LYS HE2 H -6.421 4.732 3.083 1.00 . A A . 9 LYS HE2 1 1 10 3069 1 1 9 LYS HE3 H -4.904 4.970 2.217 1.00 . A A . 9 LYS HE3 1 1 10 3070 1 1 9 LYS HG2 H -7.582 3.273 0.048 1.00 . A A . 9 LYS HG2 1 1 10 3071 1 1 9 LYS HG3 H -8.288 3.745 1.590 1.00 . A A . 9 LYS HG3 1 1 10 3072 1 1 9 LYS HZ1 H -6.997 7.017 2.709 1.00 . A A . 9 LYS HZ1 1 1 10 3073 1 1 9 LYS HZ2 H -5.609 7.263 1.762 1.00 . A A . 9 LYS HZ2 1 1 10 3074 1 1 9 LYS HZ3 H -5.462 6.951 3.426 1.00 . A A . 9 LYS HZ3 1 1 10 3075 1 1 9 LYS N N -5.247 2.515 -0.387 1.00 . A A . 9 LYS N 1 1 10 3076 1 1 9 LYS NZ N -6.006 6.737 2.567 1.00 . A A . 9 LYS NZ 1 1 10 3077 1 1 9 LYS O O -3.207 1.220 1.844 1.00 . A A . 9 LYS O 1 1 10 3078 1 1 10 GLU C C -3.446 -1.635 0.884 1.00 . A A . 10 GLU C 1 1 10 3079 1 1 10 GLU CA C -4.386 -1.176 1.993 1.00 . A A . 10 GLU CA 1 1 10 3080 1 1 10 GLU CB C -5.428 -2.263 2.259 1.00 . A A . 10 GLU CB 1 1 10 3081 1 1 10 GLU CD C -7.571 -2.692 3.467 1.00 . A A . 10 GLU CD 1 1 10 3082 1 1 10 GLU CG C -6.699 -1.622 2.808 1.00 . A A . 10 GLU CG 1 1 10 3083 1 1 10 GLU H H -6.006 0.069 1.327 1.00 . A A . 10 GLU H 1 1 10 3084 1 1 10 GLU HA H -3.818 -0.990 2.890 1.00 . A A . 10 GLU HA 1 1 10 3085 1 1 10 GLU HB2 H -5.652 -2.780 1.338 1.00 . A A . 10 GLU HB2 1 1 10 3086 1 1 10 GLU HB3 H -5.040 -2.965 2.982 1.00 . A A . 10 GLU HB3 1 1 10 3087 1 1 10 GLU HG2 H -6.434 -0.871 3.538 1.00 . A A . 10 GLU HG2 1 1 10 3088 1 1 10 GLU HG3 H -7.246 -1.163 2.000 1.00 . A A . 10 GLU HG3 1 1 10 3089 1 1 10 GLU N N -5.063 0.083 1.572 1.00 . A A . 10 GLU N 1 1 10 3090 1 1 10 GLU O O -2.406 -2.212 1.135 1.00 . A A . 10 GLU O 1 1 10 3091 1 1 10 GLU OE1 O -7.040 -3.742 3.792 1.00 . A A . 10 GLU OE1 1 1 10 3092 1 1 10 GLU OE2 O -8.753 -2.445 3.636 1.00 . A A . 10 GLU OE2 1 1 10 3093 1 1 11 CYS C C -1.632 -0.930 -1.364 1.00 . A A . 11 CYS C 1 1 10 3094 1 1 11 CYS CA C -2.904 -1.762 -1.464 1.00 . A A . 11 CYS CA 1 1 10 3095 1 1 11 CYS CB C -3.609 -1.485 -2.792 1.00 . A A . 11 CYS CB 1 1 10 3096 1 1 11 CYS H H -4.621 -0.879 -0.522 1.00 . A A . 11 CYS H 1 1 10 3097 1 1 11 CYS HA H -2.664 -2.810 -1.387 1.00 . A A . 11 CYS HA 1 1 10 3098 1 1 11 CYS HB2 H -4.633 -1.823 -2.734 1.00 . A A . 11 CYS HB2 1 1 10 3099 1 1 11 CYS HB3 H -3.592 -0.424 -2.993 1.00 . A A . 11 CYS HB3 1 1 10 3100 1 1 11 CYS N N -3.791 -1.364 -0.343 1.00 . A A . 11 CYS N 1 1 10 3101 1 1 11 CYS O O -0.606 -1.254 -1.929 1.00 . A A . 11 CYS O 1 1 10 3102 1 1 11 CYS SG S -2.758 -2.364 -4.123 1.00 . A A . 11 CYS SG 1 1 10 3103 1 1 12 VAL C C 0.400 0.460 0.612 1.00 . A A . 12 VAL C 1 1 10 3104 1 1 12 VAL CA C -0.535 1.035 -0.462 1.00 . A A . 12 VAL CA 1 1 10 3105 1 1 12 VAL CB C -1.048 2.413 -0.042 1.00 . A A . 12 VAL CB 1 1 10 3106 1 1 12 VAL CG1 C 0.053 3.203 0.650 1.00 . A A . 12 VAL CG1 1 1 10 3107 1 1 12 VAL CG2 C -1.513 3.163 -1.285 1.00 . A A . 12 VAL CG2 1 1 10 3108 1 1 12 VAL H H -2.552 0.378 -0.198 1.00 . A A . 12 VAL H 1 1 10 3109 1 1 12 VAL HA H -0.003 1.119 -1.396 1.00 . A A . 12 VAL HA 1 1 10 3110 1 1 12 VAL HB H -1.880 2.299 0.636 1.00 . A A . 12 VAL HB 1 1 10 3111 1 1 12 VAL HG11 H 0.076 4.205 0.254 1.00 . A A . 12 VAL HG11 1 1 10 3112 1 1 12 VAL HG12 H 1.001 2.720 0.475 1.00 . A A . 12 VAL HG12 1 1 10 3113 1 1 12 VAL HG13 H -0.147 3.237 1.710 1.00 . A A . 12 VAL HG13 1 1 10 3114 1 1 12 VAL HG21 H -1.739 4.185 -1.024 1.00 . A A . 12 VAL HG21 1 1 10 3115 1 1 12 VAL HG22 H -2.398 2.686 -1.679 1.00 . A A . 12 VAL HG22 1 1 10 3116 1 1 12 VAL HG23 H -0.730 3.143 -2.028 1.00 . A A . 12 VAL HG23 1 1 10 3117 1 1 12 VAL N N -1.707 0.147 -0.636 1.00 . A A . 12 VAL N 1 1 10 3118 1 1 12 VAL O O 1.605 0.580 0.526 1.00 . A A . 12 VAL O 1 1 10 3119 1 1 13 TYR C C 1.638 -1.790 2.101 1.00 . A A . 13 TYR C 1 1 10 3120 1 1 13 TYR CA C 0.710 -0.736 2.694 1.00 . A A . 13 TYR CA 1 1 10 3121 1 1 13 TYR CB C -0.182 -1.379 3.757 1.00 . A A . 13 TYR CB 1 1 10 3122 1 1 13 TYR CD1 C -0.630 0.983 4.509 1.00 . A A . 13 TYR CD1 1 1 10 3123 1 1 13 TYR CD2 C -2.396 -0.666 4.720 1.00 . A A . 13 TYR CD2 1 1 10 3124 1 1 13 TYR CE1 C -1.475 1.957 5.052 1.00 . A A . 13 TYR CE1 1 1 10 3125 1 1 13 TYR CE2 C -3.240 0.309 5.264 1.00 . A A . 13 TYR CE2 1 1 10 3126 1 1 13 TYR CG C -1.091 -0.330 4.342 1.00 . A A . 13 TYR CG 1 1 10 3127 1 1 13 TYR CZ C -2.779 1.621 5.430 1.00 . A A . 13 TYR CZ 1 1 10 3128 1 1 13 TYR H H -1.115 -0.249 1.676 1.00 . A A . 13 TYR H 1 1 10 3129 1 1 13 TYR HA H 1.299 0.047 3.145 1.00 . A A . 13 TYR HA 1 1 10 3130 1 1 13 TYR HB2 H -0.777 -2.158 3.303 1.00 . A A . 13 TYR HB2 1 1 10 3131 1 1 13 TYR HB3 H 0.431 -1.800 4.537 1.00 . A A . 13 TYR HB3 1 1 10 3132 1 1 13 TYR HD1 H 0.375 1.244 4.218 1.00 . A A . 13 TYR HD1 1 1 10 3133 1 1 13 TYR HD2 H -2.752 -1.678 4.593 1.00 . A A . 13 TYR HD2 1 1 10 3134 1 1 13 TYR HE1 H -1.120 2.970 5.180 1.00 . A A . 13 TYR HE1 1 1 10 3135 1 1 13 TYR HE2 H -4.247 0.050 5.556 1.00 . A A . 13 TYR HE2 1 1 10 3136 1 1 13 TYR HH H -3.118 3.064 6.633 1.00 . A A . 13 TYR HH 1 1 10 3137 1 1 13 TYR N N -0.145 -0.161 1.621 1.00 . A A . 13 TYR N 1 1 10 3138 1 1 13 TYR O O 2.669 -2.109 2.657 1.00 . A A . 13 TYR O 1 1 10 3139 1 1 13 TYR OH O -3.613 2.583 5.966 1.00 . A A . 13 TYR OH 1 1 10 3140 1 1 14 PHE C C 3.454 -2.767 -0.117 1.00 . A A . 14 PHE C 1 1 10 3141 1 1 14 PHE CA C 2.134 -3.383 0.359 1.00 . A A . 14 PHE CA 1 1 10 3142 1 1 14 PHE CB C 1.387 -4.014 -0.818 1.00 . A A . 14 PHE CB 1 1 10 3143 1 1 14 PHE CD1 C -0.268 -4.600 1.002 1.00 . A A . 14 PHE CD1 1 1 10 3144 1 1 14 PHE CD2 C -1.001 -4.667 -1.310 1.00 . A A . 14 PHE CD2 1 1 10 3145 1 1 14 PHE CE1 C -1.544 -4.988 1.420 1.00 . A A . 14 PHE CE1 1 1 10 3146 1 1 14 PHE CE2 C -2.278 -5.056 -0.889 1.00 . A A . 14 PHE CE2 1 1 10 3147 1 1 14 PHE CG C 0.007 -4.437 -0.365 1.00 . A A . 14 PHE CG 1 1 10 3148 1 1 14 PHE CZ C -2.549 -5.215 0.476 1.00 . A A . 14 PHE CZ 1 1 10 3149 1 1 14 PHE H H 0.434 -2.078 0.552 1.00 . A A . 14 PHE H 1 1 10 3150 1 1 14 PHE HA H 2.343 -4.145 1.096 1.00 . A A . 14 PHE HA 1 1 10 3151 1 1 14 PHE HB2 H 1.301 -3.293 -1.617 1.00 . A A . 14 PHE HB2 1 1 10 3152 1 1 14 PHE HB3 H 1.931 -4.879 -1.168 1.00 . A A . 14 PHE HB3 1 1 10 3153 1 1 14 PHE HD1 H 0.508 -4.423 1.731 1.00 . A A . 14 PHE HD1 1 1 10 3154 1 1 14 PHE HD2 H -0.792 -4.544 -2.361 1.00 . A A . 14 PHE HD2 1 1 10 3155 1 1 14 PHE HE1 H -1.753 -5.110 2.472 1.00 . A A . 14 PHE HE1 1 1 10 3156 1 1 14 PHE HE2 H -3.056 -5.233 -1.618 1.00 . A A . 14 PHE HE2 1 1 10 3157 1 1 14 PHE HZ H -3.536 -5.515 0.799 1.00 . A A . 14 PHE HZ 1 1 10 3158 1 1 14 PHE N N 1.276 -2.341 0.980 1.00 . A A . 14 PHE N 1 1 10 3159 1 1 14 PHE O O 4.470 -3.432 -0.167 1.00 . A A . 14 PHE O 1 1 10 3160 1 1 15 CYS C C 5.580 -0.433 0.272 1.00 . A A . 15 CYS C 1 1 10 3161 1 1 15 CYS CA C 4.732 -0.874 -0.931 1.00 . A A . 15 CYS CA 1 1 10 3162 1 1 15 CYS CB C 4.414 0.349 -1.792 1.00 . A A . 15 CYS CB 1 1 10 3163 1 1 15 CYS H H 2.634 -0.975 -0.426 1.00 . A A . 15 CYS H 1 1 10 3164 1 1 15 CYS HA H 5.289 -1.589 -1.518 1.00 . A A . 15 CYS HA 1 1 10 3165 1 1 15 CYS HB2 H 3.353 0.526 -1.785 1.00 . A A . 15 CYS HB2 1 1 10 3166 1 1 15 CYS HB3 H 4.924 1.212 -1.393 1.00 . A A . 15 CYS HB3 1 1 10 3167 1 1 15 CYS N N 3.461 -1.506 -0.466 1.00 . A A . 15 CYS N 1 1 10 3168 1 1 15 CYS O O 6.413 0.443 0.157 1.00 . A A . 15 CYS O 1 1 10 3169 1 1 15 CYS SG S 4.966 0.054 -3.491 1.00 . A A . 15 CYS SG 1 1 10 3170 1 1 16 HIS C C 5.660 0.688 3.183 1.00 . A A . 16 HIS C 1 1 10 3171 1 1 16 HIS CA C 6.189 -0.634 2.615 1.00 . A A . 16 HIS CA 1 1 10 3172 1 1 16 HIS CB C 7.654 -0.459 2.205 1.00 . A A . 16 HIS CB 1 1 10 3173 1 1 16 HIS CD2 C 8.270 -1.859 4.341 1.00 . A A . 16 HIS CD2 1 1 10 3174 1 1 16 HIS CE1 C 10.417 -1.570 4.298 1.00 . A A . 16 HIS CE1 1 1 10 3175 1 1 16 HIS CG C 8.544 -1.072 3.249 1.00 . A A . 16 HIS CG 1 1 10 3176 1 1 16 HIS H H 4.711 -1.734 1.503 1.00 . A A . 16 HIS H 1 1 10 3177 1 1 16 HIS HA H 6.121 -1.407 3.367 1.00 . A A . 16 HIS HA 1 1 10 3178 1 1 16 HIS HB2 H 7.822 -0.946 1.255 1.00 . A A . 16 HIS HB2 1 1 10 3179 1 1 16 HIS HB3 H 7.879 0.594 2.114 1.00 . A A . 16 HIS HB3 1 1 10 3180 1 1 16 HIS HD1 H 10.435 -0.387 2.586 1.00 . A A . 16 HIS HD1 1 1 10 3181 1 1 16 HIS HD2 H 7.286 -2.184 4.642 1.00 . A A . 16 HIS HD2 1 1 10 3182 1 1 16 HIS HE1 H 11.467 -1.615 4.546 1.00 . A A . 16 HIS HE1 1 1 10 3183 1 1 16 HIS N N 5.383 -1.028 1.422 1.00 . A A . 16 HIS N 1 1 10 3184 1 1 16 HIS ND1 N 9.919 -0.901 3.242 1.00 . A A . 16 HIS ND1 1 1 10 3185 1 1 16 HIS NE2 N 9.455 -2.172 5.002 1.00 . A A . 16 HIS NE2 1 1 10 3186 1 1 16 HIS O O 6.421 1.562 3.551 1.00 . A A . 16 HIS O 1 1 10 3187 1 1 17 LEU C C 3.165 1.865 5.155 1.00 . A A . 17 LEU C 1 1 10 3188 1 1 17 LEU CA C 3.798 2.114 3.785 1.00 . A A . 17 LEU CA 1 1 10 3189 1 1 17 LEU CB C 2.729 2.611 2.824 1.00 . A A . 17 LEU CB 1 1 10 3190 1 1 17 LEU CD1 C 3.541 2.264 0.485 1.00 . A A . 17 LEU CD1 1 1 10 3191 1 1 17 LEU CD2 C 2.522 4.448 1.143 1.00 . A A . 17 LEU CD2 1 1 10 3192 1 1 17 LEU CG C 3.390 3.280 1.618 1.00 . A A . 17 LEU CG 1 1 10 3193 1 1 17 LEU H H 3.761 0.146 2.946 1.00 . A A . 17 LEU H 1 1 10 3194 1 1 17 LEU HA H 4.579 2.854 3.872 1.00 . A A . 17 LEU HA 1 1 10 3195 1 1 17 LEU HB2 H 2.128 1.781 2.496 1.00 . A A . 17 LEU HB2 1 1 10 3196 1 1 17 LEU HB3 H 2.108 3.315 3.329 1.00 . A A . 17 LEU HB3 1 1 10 3197 1 1 17 LEU HD11 H 2.709 2.357 -0.197 1.00 . A A . 17 LEU HD11 1 1 10 3198 1 1 17 LEU HD12 H 3.559 1.265 0.897 1.00 . A A . 17 LEU HD12 1 1 10 3199 1 1 17 LEU HD13 H 4.463 2.450 -0.045 1.00 . A A . 17 LEU HD13 1 1 10 3200 1 1 17 LEU HD21 H 3.111 5.353 1.132 1.00 . A A . 17 LEU HD21 1 1 10 3201 1 1 17 LEU HD22 H 1.685 4.571 1.815 1.00 . A A . 17 LEU HD22 1 1 10 3202 1 1 17 LEU HD23 H 2.157 4.243 0.147 1.00 . A A . 17 LEU HD23 1 1 10 3203 1 1 17 LEU HG H 4.365 3.647 1.900 1.00 . A A . 17 LEU HG 1 1 10 3204 1 1 17 LEU N N 4.365 0.850 3.252 1.00 . A A . 17 LEU N 1 1 10 3205 1 1 17 LEU O O 1.974 2.029 5.336 1.00 . A A . 17 LEU O 1 1 10 3206 1 1 18 ASP C C 2.053 0.523 7.391 1.00 . A A . 18 ASP C 1 1 10 3207 1 1 18 ASP CA C 3.412 1.226 7.486 1.00 . A A . 18 ASP CA 1 1 10 3208 1 1 18 ASP CB C 3.243 2.559 8.218 1.00 . A A . 18 ASP CB 1 1 10 3209 1 1 18 ASP CG C 2.426 2.346 9.493 1.00 . A A . 18 ASP CG 1 1 10 3210 1 1 18 ASP H H 4.906 1.368 5.944 1.00 . A A . 18 ASP H 1 1 10 3211 1 1 18 ASP HA H 4.102 0.603 8.035 1.00 . A A . 18 ASP HA 1 1 10 3212 1 1 18 ASP HB2 H 4.217 2.953 8.476 1.00 . A A . 18 ASP HB2 1 1 10 3213 1 1 18 ASP HB3 H 2.731 3.259 7.576 1.00 . A A . 18 ASP HB3 1 1 10 3214 1 1 18 ASP N N 3.953 1.481 6.119 1.00 . A A . 18 ASP N 1 1 10 3215 1 1 18 ASP O O 1.020 1.126 7.605 1.00 . A A . 18 ASP O 1 1 10 3216 1 1 18 ASP OD1 O 2.954 1.758 10.422 1.00 . A A . 18 ASP OD1 1 1 10 3217 1 1 18 ASP OD2 O 1.283 2.774 9.519 1.00 . A A . 18 ASP OD2 1 1 10 3218 1 1 19 ILE C C 0.022 -1.414 8.320 1.00 . A A . 19 ILE C 1 1 10 3219 1 1 19 ILE CA C 0.744 -1.469 6.970 1.00 . A A . 19 ILE CA 1 1 10 3220 1 1 19 ILE CB C 1.005 -2.932 6.571 1.00 . A A . 19 ILE CB 1 1 10 3221 1 1 19 ILE CD1 C 1.506 -5.234 7.417 1.00 . A A . 19 ILE CD1 1 1 10 3222 1 1 19 ILE CG1 C 1.366 -3.763 7.809 1.00 . A A . 19 ILE CG1 1 1 10 3223 1 1 19 ILE CG2 C 2.161 -2.992 5.572 1.00 . A A . 19 ILE CG2 1 1 10 3224 1 1 19 ILE H H 2.879 -1.219 6.903 1.00 . A A . 19 ILE H 1 1 10 3225 1 1 19 ILE HA H 0.130 -0.997 6.218 1.00 . A A . 19 ILE HA 1 1 10 3226 1 1 19 ILE HB H 0.120 -3.338 6.110 1.00 . A A . 19 ILE HB 1 1 10 3227 1 1 19 ILE HD11 H 2.441 -5.618 7.797 1.00 . A A . 19 ILE HD11 1 1 10 3228 1 1 19 ILE HD12 H 1.488 -5.322 6.342 1.00 . A A . 19 ILE HD12 1 1 10 3229 1 1 19 ILE HD13 H 0.687 -5.797 7.840 1.00 . A A . 19 ILE HD13 1 1 10 3230 1 1 19 ILE HG12 H 2.297 -3.409 8.223 1.00 . A A . 19 ILE HG12 1 1 10 3231 1 1 19 ILE HG13 H 0.583 -3.669 8.547 1.00 . A A . 19 ILE HG13 1 1 10 3232 1 1 19 ILE HG21 H 1.880 -3.612 4.734 1.00 . A A . 19 ILE HG21 1 1 10 3233 1 1 19 ILE HG22 H 3.031 -3.411 6.054 1.00 . A A . 19 ILE HG22 1 1 10 3234 1 1 19 ILE HG23 H 2.387 -1.995 5.223 1.00 . A A . 19 ILE HG23 1 1 10 3235 1 1 19 ILE N N 2.040 -0.745 7.073 1.00 . A A . 19 ILE N 1 1 10 3236 1 1 19 ILE O O 0.579 -1.759 9.343 1.00 . A A . 19 ILE O 1 1 10 3237 1 1 20 ILE C C -3.123 -1.895 9.607 1.00 . A A . 20 ILE C 1 1 10 3238 1 1 20 ILE CA C -1.942 -0.927 9.636 1.00 . A A . 20 ILE CA 1 1 10 3239 1 1 20 ILE CB C -2.448 0.495 9.878 1.00 . A A . 20 ILE CB 1 1 10 3240 1 1 20 ILE CD1 C -0.425 0.757 11.327 1.00 . A A . 20 ILE CD1 1 1 10 3241 1 1 20 ILE CG1 C -1.266 1.402 10.223 1.00 . A A . 20 ILE CG1 1 1 10 3242 1 1 20 ILE CG2 C -3.444 0.495 11.039 1.00 . A A . 20 ILE CG2 1 1 10 3243 1 1 20 ILE H H -1.651 -0.705 7.505 1.00 . A A . 20 ILE H 1 1 10 3244 1 1 20 ILE HA H -1.275 -1.214 10.437 1.00 . A A . 20 ILE HA 1 1 10 3245 1 1 20 ILE HB H -2.935 0.858 8.985 1.00 . A A . 20 ILE HB 1 1 10 3246 1 1 20 ILE HD11 H -0.060 1.522 11.995 1.00 . A A . 20 ILE HD11 1 1 10 3247 1 1 20 ILE HD12 H 0.411 0.236 10.884 1.00 . A A . 20 ILE HD12 1 1 10 3248 1 1 20 ILE HD13 H -1.033 0.057 11.880 1.00 . A A . 20 ILE HD13 1 1 10 3249 1 1 20 ILE HG12 H -0.656 1.550 9.344 1.00 . A A . 20 ILE HG12 1 1 10 3250 1 1 20 ILE HG13 H -1.638 2.351 10.569 1.00 . A A . 20 ILE HG13 1 1 10 3251 1 1 20 ILE HG21 H -3.247 1.339 11.682 1.00 . A A . 20 ILE HG21 1 1 10 3252 1 1 20 ILE HG22 H -3.340 -0.421 11.603 1.00 . A A . 20 ILE HG22 1 1 10 3253 1 1 20 ILE HG23 H -4.449 0.566 10.650 1.00 . A A . 20 ILE HG23 1 1 10 3254 1 1 20 ILE N N -1.210 -0.987 8.339 1.00 . A A . 20 ILE N 1 1 10 3255 1 1 20 ILE O O -4.257 -1.505 9.417 1.00 . A A . 20 ILE O 1 1 10 3256 1 1 21 TRP C C -5.035 -3.752 10.811 1.00 . A A . 21 TRP C 1 1 10 3257 1 1 21 TRP CA C -3.975 -4.153 9.784 1.00 . A A . 21 TRP CA 1 1 10 3258 1 1 21 TRP CB C -3.464 -5.568 10.111 1.00 . A A . 21 TRP CB 1 1 10 3259 1 1 21 TRP CD1 C -1.258 -6.502 10.907 1.00 . A A . 21 TRP CD1 1 1 10 3260 1 1 21 TRP CD2 C -1.746 -4.545 11.908 1.00 . A A . 21 TRP CD2 1 1 10 3261 1 1 21 TRP CE2 C -0.498 -4.971 12.426 1.00 . A A . 21 TRP CE2 1 1 10 3262 1 1 21 TRP CE3 C -2.275 -3.331 12.381 1.00 . A A . 21 TRP CE3 1 1 10 3263 1 1 21 TRP CG C -2.207 -5.537 10.935 1.00 . A A . 21 TRP CG 1 1 10 3264 1 1 21 TRP CH2 C -0.348 -3.020 13.835 1.00 . A A . 21 TRP CH2 1 1 10 3265 1 1 21 TRP CZ2 C 0.195 -4.222 13.377 1.00 . A A . 21 TRP CZ2 1 1 10 3266 1 1 21 TRP CZ3 C -1.580 -2.574 13.339 1.00 . A A . 21 TRP CZ3 1 1 10 3267 1 1 21 TRP H H -1.941 -3.446 9.948 1.00 . A A . 21 TRP H 1 1 10 3268 1 1 21 TRP HA H -4.426 -4.161 8.802 1.00 . A A . 21 TRP HA 1 1 10 3269 1 1 21 TRP HB2 H -4.227 -6.098 10.659 1.00 . A A . 21 TRP HB2 1 1 10 3270 1 1 21 TRP HB3 H -3.268 -6.092 9.187 1.00 . A A . 21 TRP HB3 1 1 10 3271 1 1 21 TRP HD1 H -1.288 -7.390 10.295 1.00 . A A . 21 TRP HD1 1 1 10 3272 1 1 21 TRP HE1 H 0.561 -6.698 11.948 1.00 . A A . 21 TRP HE1 1 1 10 3273 1 1 21 TRP HE3 H -3.218 -2.977 12.002 1.00 . A A . 21 TRP HE3 1 1 10 3274 1 1 21 TRP HH2 H 0.182 -2.433 14.571 1.00 . A A . 21 TRP HH2 1 1 10 3275 1 1 21 TRP HZ2 H 1.144 -4.570 13.755 1.00 . A A . 21 TRP HZ2 1 1 10 3276 1 1 21 TRP HZ3 H -1.999 -1.644 13.694 1.00 . A A . 21 TRP HZ3 1 1 10 3277 1 1 21 TRP N N -2.863 -3.159 9.798 1.00 . A A . 21 TRP N 1 1 10 3278 1 1 21 TRP NE1 N -0.246 -6.166 11.786 1.00 . A A . 21 TRP NE1 1 1 10 3279 1 1 21 TRP O O -5.000 -4.284 11.908 1.00 . A A . 21 TRP O 1 1 10 3280 1 1 21 TRP OXT O -5.865 -2.919 10.483 1.00 . A A . 21 TRP OXT 1 1 11 3281 1 1 1 CYS C C 5.989 -2.823 -4.791 1.00 . A A . 1 CYS C 1 1 11 3282 1 1 1 CYS CA C 6.746 -2.195 -3.619 1.00 . A A . 1 CYS CA 1 1 11 3283 1 1 1 CYS CB C 6.861 -0.683 -3.836 1.00 . A A . 1 CYS CB 1 1 11 3284 1 1 1 CYS H1 H 8.226 -3.259 -2.612 1.00 . A A . 1 CYS H1 1 1 11 3285 1 1 1 CYS H2 H 8.822 -2.037 -3.632 1.00 . A A . 1 CYS H2 1 1 11 3286 1 1 1 CYS H3 H 8.233 -3.487 -4.293 1.00 . A A . 1 CYS H3 1 1 11 3287 1 1 1 CYS HA H 6.211 -2.387 -2.700 1.00 . A A . 1 CYS HA 1 1 11 3288 1 1 1 CYS HB2 H 7.225 -0.217 -2.932 1.00 . A A . 1 CYS HB2 1 1 11 3289 1 1 1 CYS HB3 H 7.551 -0.488 -4.644 1.00 . A A . 1 CYS HB3 1 1 11 3290 1 1 1 CYS N N 8.109 -2.789 -3.532 1.00 . A A . 1 CYS N 1 1 11 3291 1 1 1 CYS O O 6.578 -3.370 -5.701 1.00 . A A . 1 CYS O 1 1 11 3292 1 1 1 CYS SG S 5.235 -0.003 -4.252 1.00 . A A . 1 CYS SG 1 1 11 3293 1 1 2 SER C C 2.400 -3.240 -5.560 1.00 . A A . 2 SER C 1 1 11 3294 1 1 2 SER CA C 3.892 -3.335 -5.888 1.00 . A A . 2 SER CA 1 1 11 3295 1 1 2 SER CB C 4.280 -4.802 -6.072 1.00 . A A . 2 SER CB 1 1 11 3296 1 1 2 SER H H 4.232 -2.297 -4.031 1.00 . A A . 2 SER H 1 1 11 3297 1 1 2 SER HA H 4.094 -2.793 -6.801 1.00 . A A . 2 SER HA 1 1 11 3298 1 1 2 SER HB2 H 3.558 -5.291 -6.702 1.00 . A A . 2 SER HB2 1 1 11 3299 1 1 2 SER HB3 H 5.257 -4.858 -6.535 1.00 . A A . 2 SER HB3 1 1 11 3300 1 1 2 SER HG H 3.801 -6.256 -4.872 1.00 . A A . 2 SER HG 1 1 11 3301 1 1 2 SER N N 4.687 -2.745 -4.775 1.00 . A A . 2 SER N 1 1 11 3302 1 1 2 SER O O 1.874 -4.016 -4.787 1.00 . A A . 2 SER O 1 1 11 3303 1 1 2 SER OG O 4.306 -5.442 -4.804 1.00 . A A . 2 SER OG 1 1 11 3304 1 1 3 CYS C C -0.451 -1.669 -7.137 1.00 . A A . 3 CYS C 1 1 11 3305 1 1 3 CYS CA C 0.257 -2.153 -5.865 1.00 . A A . 3 CYS CA 1 1 11 3306 1 1 3 CYS CB C 0.050 -1.137 -4.732 1.00 . A A . 3 CYS CB 1 1 11 3307 1 1 3 CYS H H 2.155 -1.680 -6.764 1.00 . A A . 3 CYS H 1 1 11 3308 1 1 3 CYS HA H -0.143 -3.112 -5.568 1.00 . A A . 3 CYS HA 1 1 11 3309 1 1 3 CYS HB2 H 0.303 -1.597 -3.791 1.00 . A A . 3 CYS HB2 1 1 11 3310 1 1 3 CYS HB3 H 0.687 -0.280 -4.897 1.00 . A A . 3 CYS HB3 1 1 11 3311 1 1 3 CYS N N 1.713 -2.295 -6.142 1.00 . A A . 3 CYS N 1 1 11 3312 1 1 3 CYS O O 0.169 -1.138 -8.037 1.00 . A A . 3 CYS O 1 1 11 3313 1 1 3 CYS SG S -1.678 -0.601 -4.678 1.00 . A A . 3 CYS SG 1 1 11 3314 1 1 4 SER C C -2.292 0.126 -8.582 1.00 . A A . 4 SER C 1 1 11 3315 1 1 4 SER CA C -2.482 -1.381 -8.424 1.00 . A A . 4 SER CA 1 1 11 3316 1 1 4 SER CB C -3.971 -1.696 -8.264 1.00 . A A . 4 SER CB 1 1 11 3317 1 1 4 SER H H -2.227 -2.265 -6.475 1.00 . A A . 4 SER H 1 1 11 3318 1 1 4 SER HA H -2.098 -1.886 -9.294 1.00 . A A . 4 SER HA 1 1 11 3319 1 1 4 SER HB2 H -4.152 -2.728 -8.517 1.00 . A A . 4 SER HB2 1 1 11 3320 1 1 4 SER HB3 H -4.266 -1.522 -7.238 1.00 . A A . 4 SER HB3 1 1 11 3321 1 1 4 SER HG H -4.179 -0.668 -9.902 1.00 . A A . 4 SER HG 1 1 11 3322 1 1 4 SER N N -1.743 -1.841 -7.215 1.00 . A A . 4 SER N 1 1 11 3323 1 1 4 SER O O -1.818 0.601 -9.595 1.00 . A A . 4 SER O 1 1 11 3324 1 1 4 SER OG O -4.723 -0.862 -9.135 1.00 . A A . 4 SER OG 1 1 11 3325 1 1 5 SER C C -1.896 2.854 -6.329 1.00 . A A . 5 SER C 1 1 11 3326 1 1 5 SER CA C -2.487 2.355 -7.659 1.00 . A A . 5 SER CA 1 1 11 3327 1 1 5 SER CB C -3.850 3.008 -7.913 1.00 . A A . 5 SER CB 1 1 11 3328 1 1 5 SER H H -3.024 0.469 -6.775 1.00 . A A . 5 SER H 1 1 11 3329 1 1 5 SER HA H -1.816 2.592 -8.474 1.00 . A A . 5 SER HA 1 1 11 3330 1 1 5 SER HB2 H -3.833 3.523 -8.859 1.00 . A A . 5 SER HB2 1 1 11 3331 1 1 5 SER HB3 H -4.613 2.241 -7.941 1.00 . A A . 5 SER HB3 1 1 11 3332 1 1 5 SER HG H -4.539 3.462 -6.150 1.00 . A A . 5 SER HG 1 1 11 3333 1 1 5 SER N N -2.652 0.878 -7.583 1.00 . A A . 5 SER N 1 1 11 3334 1 1 5 SER O O -2.470 2.660 -5.276 1.00 . A A . 5 SER O 1 1 11 3335 1 1 5 SER OG O -4.135 3.940 -6.878 1.00 . A A . 5 SER OG 1 1 11 3336 1 1 6 LEU C C -1.029 4.905 -4.321 1.00 . A A . 6 LEU C 1 1 11 3337 1 1 6 LEU CA C -0.101 3.951 -5.099 1.00 . A A . 6 LEU CA 1 1 11 3338 1 1 6 LEU CB C 1.208 4.678 -5.427 1.00 . A A . 6 LEU CB 1 1 11 3339 1 1 6 LEU CD1 C 2.307 2.680 -6.460 1.00 . A A . 6 LEU CD1 1 1 11 3340 1 1 6 LEU CD2 C 3.697 4.457 -5.385 1.00 . A A . 6 LEU CD2 1 1 11 3341 1 1 6 LEU CG C 2.373 3.692 -5.315 1.00 . A A . 6 LEU CG 1 1 11 3342 1 1 6 LEU H H -0.284 3.597 -7.222 1.00 . A A . 6 LEU H 1 1 11 3343 1 1 6 LEU HA H 0.128 3.096 -4.477 1.00 . A A . 6 LEU HA 1 1 11 3344 1 1 6 LEU HB2 H 1.167 5.078 -6.431 1.00 . A A . 6 LEU HB2 1 1 11 3345 1 1 6 LEU HB3 H 1.356 5.485 -4.726 1.00 . A A . 6 LEU HB3 1 1 11 3346 1 1 6 LEU HD11 H 2.905 1.816 -6.212 1.00 . A A . 6 LEU HD11 1 1 11 3347 1 1 6 LEU HD12 H 2.687 3.132 -7.364 1.00 . A A . 6 LEU HD12 1 1 11 3348 1 1 6 LEU HD13 H 1.282 2.375 -6.613 1.00 . A A . 6 LEU HD13 1 1 11 3349 1 1 6 LEU HD21 H 3.681 5.271 -4.676 1.00 . A A . 6 LEU HD21 1 1 11 3350 1 1 6 LEU HD22 H 3.831 4.851 -6.382 1.00 . A A . 6 LEU HD22 1 1 11 3351 1 1 6 LEU HD23 H 4.511 3.789 -5.150 1.00 . A A . 6 LEU HD23 1 1 11 3352 1 1 6 LEU HG H 2.306 3.169 -4.374 1.00 . A A . 6 LEU HG 1 1 11 3353 1 1 6 LEU N N -0.742 3.470 -6.365 1.00 . A A . 6 LEU N 1 1 11 3354 1 1 6 LEU O O -0.784 5.198 -3.168 1.00 . A A . 6 LEU O 1 1 11 3355 1 1 7 MET C C -4.030 5.575 -3.390 1.00 . A A . 7 MET C 1 1 11 3356 1 1 7 MET CA C -2.975 6.348 -4.196 1.00 . A A . 7 MET CA 1 1 11 3357 1 1 7 MET CB C -3.671 7.272 -5.201 1.00 . A A . 7 MET CB 1 1 11 3358 1 1 7 MET CE C -4.782 10.599 -3.561 1.00 . A A . 7 MET CE 1 1 11 3359 1 1 7 MET CG C -4.787 8.051 -4.498 1.00 . A A . 7 MET CG 1 1 11 3360 1 1 7 MET H H -2.261 5.181 -5.859 1.00 . A A . 7 MET H 1 1 11 3361 1 1 7 MET HA H -2.382 6.945 -3.518 1.00 . A A . 7 MET HA 1 1 11 3362 1 1 7 MET HB2 H -2.951 7.966 -5.608 1.00 . A A . 7 MET HB2 1 1 11 3363 1 1 7 MET HB3 H -4.096 6.684 -6.001 1.00 . A A . 7 MET HB3 1 1 11 3364 1 1 7 MET HE1 H -4.237 9.997 -2.848 1.00 . A A . 7 MET HE1 1 1 11 3365 1 1 7 MET HE2 H -5.783 10.765 -3.198 1.00 . A A . 7 MET HE2 1 1 11 3366 1 1 7 MET HE3 H -4.285 11.552 -3.689 1.00 . A A . 7 MET HE3 1 1 11 3367 1 1 7 MET HG2 H -5.734 7.563 -4.674 1.00 . A A . 7 MET HG2 1 1 11 3368 1 1 7 MET HG3 H -4.591 8.084 -3.436 1.00 . A A . 7 MET HG3 1 1 11 3369 1 1 7 MET N N -2.074 5.406 -4.928 1.00 . A A . 7 MET N 1 1 11 3370 1 1 7 MET O O -4.781 6.154 -2.629 1.00 . A A . 7 MET O 1 1 11 3371 1 1 7 MET SD S -4.846 9.738 -5.151 1.00 . A A . 7 MET SD 1 1 11 3372 1 1 8 ASP C C -4.838 3.635 -1.271 1.00 . A A . 8 ASP C 1 1 11 3373 1 1 8 ASP CA C -5.115 3.497 -2.772 1.00 . A A . 8 ASP CA 1 1 11 3374 1 1 8 ASP CB C -5.043 2.017 -3.165 1.00 . A A . 8 ASP CB 1 1 11 3375 1 1 8 ASP CG C -6.432 1.388 -3.044 1.00 . A A . 8 ASP CG 1 1 11 3376 1 1 8 ASP H H -3.492 3.823 -4.155 1.00 . A A . 8 ASP H 1 1 11 3377 1 1 8 ASP HA H -6.102 3.878 -2.990 1.00 . A A . 8 ASP HA 1 1 11 3378 1 1 8 ASP HB2 H -4.698 1.928 -4.184 1.00 . A A . 8 ASP HB2 1 1 11 3379 1 1 8 ASP HB3 H -4.359 1.503 -2.507 1.00 . A A . 8 ASP HB3 1 1 11 3380 1 1 8 ASP N N -4.101 4.279 -3.541 1.00 . A A . 8 ASP N 1 1 11 3381 1 1 8 ASP O O -4.178 4.555 -0.833 1.00 . A A . 8 ASP O 1 1 11 3382 1 1 8 ASP OD1 O -7.154 1.765 -2.136 1.00 . A A . 8 ASP OD1 1 1 11 3383 1 1 8 ASP OD2 O -6.750 0.540 -3.861 1.00 . A A . 8 ASP OD2 1 1 11 3384 1 1 9 LYS C C -4.410 1.512 1.476 1.00 . A A . 9 LYS C 1 1 11 3385 1 1 9 LYS CA C -5.107 2.797 0.992 1.00 . A A . 9 LYS CA 1 1 11 3386 1 1 9 LYS CB C -6.449 2.976 1.720 1.00 . A A . 9 LYS CB 1 1 11 3387 1 1 9 LYS CD C -6.613 5.357 0.886 1.00 . A A . 9 LYS CD 1 1 11 3388 1 1 9 LYS CE C -5.885 5.656 2.200 1.00 . A A . 9 LYS CE 1 1 11 3389 1 1 9 LYS CG C -7.326 4.001 0.977 1.00 . A A . 9 LYS CG 1 1 11 3390 1 1 9 LYS H H -5.868 1.991 -0.860 1.00 . A A . 9 LYS H 1 1 11 3391 1 1 9 LYS HA H -4.469 3.641 1.209 1.00 . A A . 9 LYS HA 1 1 11 3392 1 1 9 LYS HB2 H -6.963 2.027 1.761 1.00 . A A . 9 LYS HB2 1 1 11 3393 1 1 9 LYS HB3 H -6.266 3.327 2.725 1.00 . A A . 9 LYS HB3 1 1 11 3394 1 1 9 LYS HD2 H -5.901 5.335 0.075 1.00 . A A . 9 LYS HD2 1 1 11 3395 1 1 9 LYS HD3 H -7.344 6.133 0.699 1.00 . A A . 9 LYS HD3 1 1 11 3396 1 1 9 LYS HE2 H -6.464 5.274 3.027 1.00 . A A . 9 LYS HE2 1 1 11 3397 1 1 9 LYS HE3 H -4.915 5.181 2.190 1.00 . A A . 9 LYS HE3 1 1 11 3398 1 1 9 LYS HG2 H -7.533 3.639 -0.019 1.00 . A A . 9 LYS HG2 1 1 11 3399 1 1 9 LYS HG3 H -8.260 4.130 1.509 1.00 . A A . 9 LYS HG3 1 1 11 3400 1 1 9 LYS HZ1 H -5.290 7.337 3.274 1.00 . A A . 9 LYS HZ1 1 1 11 3401 1 1 9 LYS HZ2 H -6.645 7.593 2.282 1.00 . A A . 9 LYS HZ2 1 1 11 3402 1 1 9 LYS HZ3 H -5.094 7.485 1.597 1.00 . A A . 9 LYS HZ3 1 1 11 3403 1 1 9 LYS N N -5.340 2.723 -0.482 1.00 . A A . 9 LYS N 1 1 11 3404 1 1 9 LYS NZ N -5.715 7.129 2.350 1.00 . A A . 9 LYS NZ 1 1 11 3405 1 1 9 LYS O O -3.229 1.514 1.756 1.00 . A A . 9 LYS O 1 1 11 3406 1 1 10 GLU C C -3.541 -1.375 0.982 1.00 . A A . 10 GLU C 1 1 11 3407 1 1 10 GLU CA C -4.481 -0.841 2.054 1.00 . A A . 10 GLU CA 1 1 11 3408 1 1 10 GLU CB C -5.561 -1.881 2.334 1.00 . A A . 10 GLU CB 1 1 11 3409 1 1 10 GLU CD C -6.957 -2.912 4.126 1.00 . A A . 10 GLU CD 1 1 11 3410 1 1 10 GLU CG C -5.874 -1.874 3.821 1.00 . A A . 10 GLU CG 1 1 11 3411 1 1 10 GLU H H -6.068 0.423 1.368 1.00 . A A . 10 GLU H 1 1 11 3412 1 1 10 GLU HA H -3.924 -0.648 2.958 1.00 . A A . 10 GLU HA 1 1 11 3413 1 1 10 GLU HB2 H -6.452 -1.638 1.772 1.00 . A A . 10 GLU HB2 1 1 11 3414 1 1 10 GLU HB3 H -5.207 -2.859 2.045 1.00 . A A . 10 GLU HB3 1 1 11 3415 1 1 10 GLU HG2 H -4.975 -2.113 4.371 1.00 . A A . 10 GLU HG2 1 1 11 3416 1 1 10 GLU HG3 H -6.223 -0.894 4.104 1.00 . A A . 10 GLU HG3 1 1 11 3417 1 1 10 GLU N N -5.120 0.419 1.586 1.00 . A A . 10 GLU N 1 1 11 3418 1 1 10 GLU O O -2.526 -1.974 1.273 1.00 . A A . 10 GLU O 1 1 11 3419 1 1 10 GLU OE1 O -7.199 -3.753 3.276 1.00 . A A . 10 GLU OE1 1 1 11 3420 1 1 10 GLU OE2 O -7.524 -2.847 5.204 1.00 . A A . 10 GLU OE2 1 1 11 3421 1 1 11 CYS C C -1.735 -0.760 -1.378 1.00 . A A . 11 CYS C 1 1 11 3422 1 1 11 CYS CA C -2.977 -1.646 -1.341 1.00 . A A . 11 CYS CA 1 1 11 3423 1 1 11 CYS CB C -3.720 -1.569 -2.678 1.00 . A A . 11 CYS CB 1 1 11 3424 1 1 11 CYS H H -4.677 -0.660 -0.475 1.00 . A A . 11 CYS H 1 1 11 3425 1 1 11 CYS HA H -2.692 -2.665 -1.136 1.00 . A A . 11 CYS HA 1 1 11 3426 1 1 11 CYS HB2 H -4.626 -2.153 -2.619 1.00 . A A . 11 CYS HB2 1 1 11 3427 1 1 11 CYS HB3 H -3.968 -0.540 -2.892 1.00 . A A . 11 CYS HB3 1 1 11 3428 1 1 11 CYS N N -3.863 -1.156 -0.258 1.00 . A A . 11 CYS N 1 1 11 3429 1 1 11 CYS O O -0.748 -1.067 -2.018 1.00 . A A . 11 CYS O 1 1 11 3430 1 1 11 CYS SG S -2.667 -2.222 -3.994 1.00 . A A . 11 CYS SG 1 1 11 3431 1 1 12 VAL C C 0.404 0.792 0.361 1.00 . A A . 12 VAL C 1 1 11 3432 1 1 12 VAL CA C -0.641 1.280 -0.652 1.00 . A A . 12 VAL CA 1 1 11 3433 1 1 12 VAL CB C -1.172 2.656 -0.246 1.00 . A A . 12 VAL CB 1 1 11 3434 1 1 12 VAL CG1 C -0.035 3.533 0.247 1.00 . A A . 12 VAL CG1 1 1 11 3435 1 1 12 VAL CG2 C -1.839 3.311 -1.454 1.00 . A A . 12 VAL CG2 1 1 11 3436 1 1 12 VAL H H -2.603 0.564 -0.187 1.00 . A A . 12 VAL H 1 1 11 3437 1 1 12 VAL HA H -0.191 1.345 -1.628 1.00 . A A . 12 VAL HA 1 1 11 3438 1 1 12 VAL HB H -1.896 2.542 0.544 1.00 . A A . 12 VAL HB 1 1 11 3439 1 1 12 VAL HG11 H -0.394 4.544 0.372 1.00 . A A . 12 VAL HG11 1 1 11 3440 1 1 12 VAL HG12 H 0.766 3.517 -0.474 1.00 . A A . 12 VAL HG12 1 1 11 3441 1 1 12 VAL HG13 H 0.320 3.156 1.194 1.00 . A A . 12 VAL HG13 1 1 11 3442 1 1 12 VAL HG21 H -2.121 4.323 -1.203 1.00 . A A . 12 VAL HG21 1 1 11 3443 1 1 12 VAL HG22 H -2.720 2.748 -1.726 1.00 . A A . 12 VAL HG22 1 1 11 3444 1 1 12 VAL HG23 H -1.149 3.323 -2.282 1.00 . A A . 12 VAL HG23 1 1 11 3445 1 1 12 VAL N N -1.790 0.343 -0.687 1.00 . A A . 12 VAL N 1 1 11 3446 1 1 12 VAL O O 1.589 0.987 0.180 1.00 . A A . 12 VAL O 1 1 11 3447 1 1 13 TYR C C 2.057 -1.141 1.752 1.00 . A A . 13 TYR C 1 1 11 3448 1 1 13 TYR CA C 0.954 -0.333 2.435 1.00 . A A . 13 TYR CA 1 1 11 3449 1 1 13 TYR CB C 0.227 -1.229 3.436 1.00 . A A . 13 TYR CB 1 1 11 3450 1 1 13 TYR CD1 C -0.847 0.930 4.173 1.00 . A A . 13 TYR CD1 1 1 11 3451 1 1 13 TYR CD2 C -2.032 -1.153 4.547 1.00 . A A . 13 TYR CD2 1 1 11 3452 1 1 13 TYR CE1 C -1.903 1.636 4.759 1.00 . A A . 13 TYR CE1 1 1 11 3453 1 1 13 TYR CE2 C -3.088 -0.446 5.134 1.00 . A A . 13 TYR CE2 1 1 11 3454 1 1 13 TYR CG C -0.911 -0.466 4.067 1.00 . A A . 13 TYR CG 1 1 11 3455 1 1 13 TYR CZ C -3.024 0.949 5.240 1.00 . A A . 13 TYR CZ 1 1 11 3456 1 1 13 TYR H H -0.977 0.010 1.553 1.00 . A A . 13 TYR H 1 1 11 3457 1 1 13 TYR HA H 1.390 0.506 2.955 1.00 . A A . 13 TYR HA 1 1 11 3458 1 1 13 TYR HB2 H -0.162 -2.098 2.925 1.00 . A A . 13 TYR HB2 1 1 11 3459 1 1 13 TYR HB3 H 0.917 -1.543 4.203 1.00 . A A . 13 TYR HB3 1 1 11 3460 1 1 13 TYR HD1 H 0.018 1.460 3.802 1.00 . A A . 13 TYR HD1 1 1 11 3461 1 1 13 TYR HD2 H -2.082 -2.228 4.466 1.00 . A A . 13 TYR HD2 1 1 11 3462 1 1 13 TYR HE1 H -1.853 2.712 4.841 1.00 . A A . 13 TYR HE1 1 1 11 3463 1 1 13 TYR HE2 H -3.953 -0.976 5.506 1.00 . A A . 13 TYR HE2 1 1 11 3464 1 1 13 TYR HH H -3.690 2.304 6.408 1.00 . A A . 13 TYR HH 1 1 11 3465 1 1 13 TYR N N -0.019 0.159 1.420 1.00 . A A . 13 TYR N 1 1 11 3466 1 1 13 TYR O O 3.148 -1.282 2.268 1.00 . A A . 13 TYR O 1 1 11 3467 1 1 13 TYR OH O -4.066 1.646 5.818 1.00 . A A . 13 TYR OH 1 1 11 3468 1 1 14 PHE C C 4.001 -1.628 -0.491 1.00 . A A . 14 PHE C 1 1 11 3469 1 1 14 PHE CA C 2.806 -2.502 -0.101 1.00 . A A . 14 PHE CA 1 1 11 3470 1 1 14 PHE CB C 2.180 -3.123 -1.349 1.00 . A A . 14 PHE CB 1 1 11 3471 1 1 14 PHE CD1 C 0.674 -4.243 0.337 1.00 . A A . 14 PHE CD1 1 1 11 3472 1 1 14 PHE CD2 C -0.142 -3.922 -1.923 1.00 . A A . 14 PHE CD2 1 1 11 3473 1 1 14 PHE CE1 C -0.536 -4.849 0.690 1.00 . A A . 14 PHE CE1 1 1 11 3474 1 1 14 PHE CE2 C -1.353 -4.529 -1.570 1.00 . A A . 14 PHE CE2 1 1 11 3475 1 1 14 PHE CG C 0.873 -3.778 -0.970 1.00 . A A . 14 PHE CG 1 1 11 3476 1 1 14 PHE CZ C -1.550 -4.992 -0.262 1.00 . A A . 14 PHE CZ 1 1 11 3477 1 1 14 PHE H H 0.888 -1.573 0.210 1.00 . A A . 14 PHE H 1 1 11 3478 1 1 14 PHE HA H 3.140 -3.289 0.558 1.00 . A A . 14 PHE HA 1 1 11 3479 1 1 14 PHE HB2 H 2.000 -2.352 -2.084 1.00 . A A . 14 PHE HB2 1 1 11 3480 1 1 14 PHE HB3 H 2.849 -3.864 -1.759 1.00 . A A . 14 PHE HB3 1 1 11 3481 1 1 14 PHE HD1 H 1.457 -4.132 1.073 1.00 . A A . 14 PHE HD1 1 1 11 3482 1 1 14 PHE HD2 H 0.008 -3.564 -2.931 1.00 . A A . 14 PHE HD2 1 1 11 3483 1 1 14 PHE HE1 H -0.687 -5.207 1.698 1.00 . A A . 14 PHE HE1 1 1 11 3484 1 1 14 PHE HE2 H -2.137 -4.639 -2.305 1.00 . A A . 14 PHE HE2 1 1 11 3485 1 1 14 PHE HZ H -2.484 -5.460 0.010 1.00 . A A . 14 PHE HZ 1 1 11 3486 1 1 14 PHE N N 1.779 -1.687 0.604 1.00 . A A . 14 PHE N 1 1 11 3487 1 1 14 PHE O O 5.124 -2.090 -0.548 1.00 . A A . 14 PHE O 1 1 11 3488 1 1 15 CYS C C 5.639 1.028 0.119 1.00 . A A . 15 CYS C 1 1 11 3489 1 1 15 CYS CA C 4.910 0.524 -1.138 1.00 . A A . 15 CYS CA 1 1 11 3490 1 1 15 CYS CB C 4.372 1.721 -1.924 1.00 . A A . 15 CYS CB 1 1 11 3491 1 1 15 CYS H H 2.868 -0.013 -0.709 1.00 . A A . 15 CYS H 1 1 11 3492 1 1 15 CYS HA H 5.605 -0.024 -1.757 1.00 . A A . 15 CYS HA 1 1 11 3493 1 1 15 CYS HB2 H 3.321 1.579 -2.122 1.00 . A A . 15 CYS HB2 1 1 11 3494 1 1 15 CYS HB3 H 4.512 2.623 -1.347 1.00 . A A . 15 CYS HB3 1 1 11 3495 1 1 15 CYS N N 3.778 -0.369 -0.756 1.00 . A A . 15 CYS N 1 1 11 3496 1 1 15 CYS O O 6.297 2.049 0.089 1.00 . A A . 15 CYS O 1 1 11 3497 1 1 15 CYS SG S 5.268 1.866 -3.490 1.00 . A A . 15 CYS SG 1 1 11 3498 1 1 16 HIS C C 5.438 1.890 3.138 1.00 . A A . 16 HIS C 1 1 11 3499 1 1 16 HIS CA C 6.230 0.762 2.465 1.00 . A A . 16 HIS CA 1 1 11 3500 1 1 16 HIS CB C 7.633 1.265 2.118 1.00 . A A . 16 HIS CB 1 1 11 3501 1 1 16 HIS CD2 C 9.262 -0.530 3.133 1.00 . A A . 16 HIS CD2 1 1 11 3502 1 1 16 HIS CE1 C 9.954 0.603 4.844 1.00 . A A . 16 HIS CE1 1 1 11 3503 1 1 16 HIS CG C 8.628 0.686 3.086 1.00 . A A . 16 HIS CG 1 1 11 3504 1 1 16 HIS H H 5.004 -0.499 1.227 1.00 . A A . 16 HIS H 1 1 11 3505 1 1 16 HIS HA H 6.312 -0.074 3.143 1.00 . A A . 16 HIS HA 1 1 11 3506 1 1 16 HIS HB2 H 7.887 0.959 1.115 1.00 . A A . 16 HIS HB2 1 1 11 3507 1 1 16 HIS HB3 H 7.655 2.344 2.182 1.00 . A A . 16 HIS HB3 1 1 11 3508 1 1 16 HIS HD1 H 8.821 2.303 4.443 1.00 . A A . 16 HIS HD1 1 1 11 3509 1 1 16 HIS HD2 H 9.131 -1.328 2.415 1.00 . A A . 16 HIS HD2 1 1 11 3510 1 1 16 HIS HE1 H 10.472 0.892 5.748 1.00 . A A . 16 HIS HE1 1 1 11 3511 1 1 16 HIS N N 5.535 0.322 1.219 1.00 . A A . 16 HIS N 1 1 11 3512 1 1 16 HIS ND1 N 9.084 1.393 4.189 1.00 . A A . 16 HIS ND1 1 1 11 3513 1 1 16 HIS NE2 N 10.100 -0.580 4.243 1.00 . A A . 16 HIS NE2 1 1 11 3514 1 1 16 HIS O O 6.005 2.850 3.622 1.00 . A A . 16 HIS O 1 1 11 3515 1 1 17 LEU C C 2.737 2.363 5.118 1.00 . A A . 17 LEU C 1 1 11 3516 1 1 17 LEU CA C 3.324 2.859 3.794 1.00 . A A . 17 LEU CA 1 1 11 3517 1 1 17 LEU CB C 2.194 3.217 2.841 1.00 . A A . 17 LEU CB 1 1 11 3518 1 1 17 LEU CD1 C 3.852 4.875 1.945 1.00 . A A . 17 LEU CD1 1 1 11 3519 1 1 17 LEU CD2 C 3.352 2.788 0.668 1.00 . A A . 17 LEU CD2 1 1 11 3520 1 1 17 LEU CG C 2.760 3.870 1.574 1.00 . A A . 17 LEU CG 1 1 11 3521 1 1 17 LEU H H 3.686 1.027 2.766 1.00 . A A . 17 LEU H 1 1 11 3522 1 1 17 LEU HA H 3.938 3.729 3.971 1.00 . A A . 17 LEU HA 1 1 11 3523 1 1 17 LEU HB2 H 1.655 2.322 2.578 1.00 . A A . 17 LEU HB2 1 1 11 3524 1 1 17 LEU HB3 H 1.530 3.893 3.325 1.00 . A A . 17 LEU HB3 1 1 11 3525 1 1 17 LEU HD11 H 3.475 5.558 2.691 1.00 . A A . 17 LEU HD11 1 1 11 3526 1 1 17 LEU HD12 H 4.146 5.428 1.065 1.00 . A A . 17 LEU HD12 1 1 11 3527 1 1 17 LEU HD13 H 4.708 4.347 2.340 1.00 . A A . 17 LEU HD13 1 1 11 3528 1 1 17 LEU HD21 H 3.254 1.825 1.145 1.00 . A A . 17 LEU HD21 1 1 11 3529 1 1 17 LEU HD22 H 4.397 2.998 0.492 1.00 . A A . 17 LEU HD22 1 1 11 3530 1 1 17 LEU HD23 H 2.824 2.779 -0.274 1.00 . A A . 17 LEU HD23 1 1 11 3531 1 1 17 LEU HG H 1.968 4.384 1.051 1.00 . A A . 17 LEU HG 1 1 11 3532 1 1 17 LEU N N 4.135 1.793 3.166 1.00 . A A . 17 LEU N 1 1 11 3533 1 1 17 LEU O O 1.536 2.265 5.277 1.00 . A A . 17 LEU O 1 1 11 3534 1 1 18 ASP C C 1.900 0.628 7.206 1.00 . A A . 18 ASP C 1 1 11 3535 1 1 18 ASP CA C 3.083 1.584 7.393 1.00 . A A . 18 ASP CA 1 1 11 3536 1 1 18 ASP CB C 2.640 2.788 8.225 1.00 . A A . 18 ASP CB 1 1 11 3537 1 1 18 ASP CG C 1.444 3.464 7.552 1.00 . A A . 18 ASP CG 1 1 11 3538 1 1 18 ASP H H 4.533 2.162 5.918 1.00 . A A . 18 ASP H 1 1 11 3539 1 1 18 ASP HA H 3.883 1.072 7.909 1.00 . A A . 18 ASP HA 1 1 11 3540 1 1 18 ASP HB2 H 2.359 2.455 9.212 1.00 . A A . 18 ASP HB2 1 1 11 3541 1 1 18 ASP HB3 H 3.453 3.492 8.301 1.00 . A A . 18 ASP HB3 1 1 11 3542 1 1 18 ASP N N 3.575 2.063 6.070 1.00 . A A . 18 ASP N 1 1 11 3543 1 1 18 ASP O O 0.760 0.994 7.408 1.00 . A A . 18 ASP O 1 1 11 3544 1 1 18 ASP OD1 O 1.662 4.208 6.610 1.00 . A A . 18 ASP OD1 1 1 11 3545 1 1 18 ASP OD2 O 0.331 3.228 7.991 1.00 . A A . 18 ASP OD2 1 1 11 3546 1 1 19 ILE C C 0.328 -1.787 7.970 1.00 . A A . 19 ILE C 1 1 11 3547 1 1 19 ILE CA C 1.040 -1.561 6.632 1.00 . A A . 19 ILE CA 1 1 11 3548 1 1 19 ILE CB C 1.601 -2.892 6.101 1.00 . A A . 19 ILE CB 1 1 11 3549 1 1 19 ILE CD1 C 2.546 -5.121 6.733 1.00 . A A . 19 ILE CD1 1 1 11 3550 1 1 19 ILE CG1 C 2.110 -3.755 7.261 1.00 . A A . 19 ILE CG1 1 1 11 3551 1 1 19 ILE CG2 C 2.758 -2.615 5.140 1.00 . A A . 19 ILE CG2 1 1 11 3552 1 1 19 ILE H H 3.079 -0.882 6.665 1.00 . A A . 19 ILE H 1 1 11 3553 1 1 19 ILE HA H 0.337 -1.157 5.919 1.00 . A A . 19 ILE HA 1 1 11 3554 1 1 19 ILE HB H 0.823 -3.420 5.573 1.00 . A A . 19 ILE HB 1 1 11 3555 1 1 19 ILE HD11 H 3.442 -5.437 7.248 1.00 . A A . 19 ILE HD11 1 1 11 3556 1 1 19 ILE HD12 H 2.743 -5.051 5.675 1.00 . A A . 19 ILE HD12 1 1 11 3557 1 1 19 ILE HD13 H 1.759 -5.840 6.908 1.00 . A A . 19 ILE HD13 1 1 11 3558 1 1 19 ILE HG12 H 2.949 -3.266 7.732 1.00 . A A . 19 ILE HG12 1 1 11 3559 1 1 19 ILE HG13 H 1.320 -3.891 7.983 1.00 . A A . 19 ILE HG13 1 1 11 3560 1 1 19 ILE HG21 H 3.696 -2.790 5.647 1.00 . A A . 19 ILE HG21 1 1 11 3561 1 1 19 ILE HG22 H 2.713 -1.587 4.811 1.00 . A A . 19 ILE HG22 1 1 11 3562 1 1 19 ILE HG23 H 2.682 -3.271 4.287 1.00 . A A . 19 ILE HG23 1 1 11 3563 1 1 19 ILE N N 2.156 -0.596 6.823 1.00 . A A . 19 ILE N 1 1 11 3564 1 1 19 ILE O O 0.950 -2.103 8.965 1.00 . A A . 19 ILE O 1 1 11 3565 1 1 20 ILE C C -2.649 -3.027 9.153 1.00 . A A . 20 ILE C 1 1 11 3566 1 1 20 ILE CA C -1.689 -1.848 9.295 1.00 . A A . 20 ILE CA 1 1 11 3567 1 1 20 ILE CB C -2.471 -0.589 9.666 1.00 . A A . 20 ILE CB 1 1 11 3568 1 1 20 ILE CD1 C -0.536 -0.064 11.160 1.00 . A A . 20 ILE CD1 1 1 11 3569 1 1 20 ILE CG1 C -1.498 0.501 10.112 1.00 . A A . 20 ILE CG1 1 1 11 3570 1 1 20 ILE CG2 C -3.439 -0.904 10.809 1.00 . A A . 20 ILE CG2 1 1 11 3571 1 1 20 ILE H H -1.459 -1.369 7.198 1.00 . A A . 20 ILE H 1 1 11 3572 1 1 20 ILE HA H -0.974 -2.071 10.074 1.00 . A A . 20 ILE HA 1 1 11 3573 1 1 20 ILE HB H -3.029 -0.247 8.806 1.00 . A A . 20 ILE HB 1 1 11 3574 1 1 20 ILE HD11 H -0.338 0.688 11.910 1.00 . A A . 20 ILE HD11 1 1 11 3575 1 1 20 ILE HD12 H 0.391 -0.348 10.683 1.00 . A A . 20 ILE HD12 1 1 11 3576 1 1 20 ILE HD13 H -0.980 -0.929 11.628 1.00 . A A . 20 ILE HD13 1 1 11 3577 1 1 20 ILE HG12 H -0.935 0.855 9.259 1.00 . A A . 20 ILE HG12 1 1 11 3578 1 1 20 ILE HG13 H -2.051 1.318 10.542 1.00 . A A . 20 ILE HG13 1 1 11 3579 1 1 20 ILE HG21 H -3.402 -0.111 11.540 1.00 . A A . 20 ILE HG21 1 1 11 3580 1 1 20 ILE HG22 H -3.154 -1.836 11.274 1.00 . A A . 20 ILE HG22 1 1 11 3581 1 1 20 ILE HG23 H -4.443 -0.989 10.418 1.00 . A A . 20 ILE HG23 1 1 11 3582 1 1 20 ILE N N -0.966 -1.629 8.009 1.00 . A A . 20 ILE N 1 1 11 3583 1 1 20 ILE O O -3.839 -2.857 8.980 1.00 . A A . 20 ILE O 1 1 11 3584 1 1 21 TRP C C -4.145 -5.338 10.141 1.00 . A A . 21 TRP C 1 1 11 3585 1 1 21 TRP CA C -3.026 -5.417 9.099 1.00 . A A . 21 TRP CA 1 1 11 3586 1 1 21 TRP CB C -2.239 -6.724 9.303 1.00 . A A . 21 TRP CB 1 1 11 3587 1 1 21 TRP CD1 C 0.114 -7.262 10.041 1.00 . A A . 21 TRP CD1 1 1 11 3588 1 1 21 TRP CD2 C -0.758 -5.553 11.217 1.00 . A A . 21 TRP CD2 1 1 11 3589 1 1 21 TRP CE2 C 0.551 -5.764 11.711 1.00 . A A . 21 TRP CE2 1 1 11 3590 1 1 21 TRP CE3 C -1.524 -4.524 11.795 1.00 . A A . 21 TRP CE3 1 1 11 3591 1 1 21 TRP CG C -1.011 -6.519 10.146 1.00 . A A . 21 TRP CG 1 1 11 3592 1 1 21 TRP CH2 C 0.304 -3.970 13.305 1.00 . A A . 21 TRP CH2 1 1 11 3593 1 1 21 TRP CZ2 C 1.079 -4.986 12.741 1.00 . A A . 21 TRP CZ2 1 1 11 3594 1 1 21 TRP CZ3 C -0.995 -3.739 12.832 1.00 . A A . 21 TRP CZ3 1 1 11 3595 1 1 21 TRP H H -1.176 -4.333 9.367 1.00 . A A . 21 TRP H 1 1 11 3596 1 1 21 TRP HA H -3.466 -5.421 8.113 1.00 . A A . 21 TRP HA 1 1 11 3597 1 1 21 TRP HB2 H -2.878 -7.447 9.787 1.00 . A A . 21 TRP HB2 1 1 11 3598 1 1 21 TRP HB3 H -1.944 -7.108 8.337 1.00 . A A . 21 TRP HB3 1 1 11 3599 1 1 21 TRP HD1 H 0.266 -8.074 9.345 1.00 . A A . 21 TRP HD1 1 1 11 3600 1 1 21 TRP HE1 H 1.939 -7.184 11.087 1.00 . A A . 21 TRP HE1 1 1 11 3601 1 1 21 TRP HE3 H -2.521 -4.336 11.438 1.00 . A A . 21 TRP HE3 1 1 11 3602 1 1 21 TRP HH2 H 0.705 -3.363 14.102 1.00 . A A . 21 TRP HH2 1 1 11 3603 1 1 21 TRP HZ2 H 2.082 -5.168 13.100 1.00 . A A . 21 TRP HZ2 1 1 11 3604 1 1 21 TRP HZ3 H -1.593 -2.954 13.269 1.00 . A A . 21 TRP HZ3 1 1 11 3605 1 1 21 TRP N N -2.138 -4.225 9.227 1.00 . A A . 21 TRP N 1 1 11 3606 1 1 21 TRP NE1 N 1.040 -6.815 10.964 1.00 . A A . 21 TRP NE1 1 1 11 3607 1 1 21 TRP O O -4.004 -5.959 11.181 1.00 . A A . 21 TRP O 1 1 11 3608 1 1 21 TRP OXT O -5.122 -4.657 9.879 1.00 . A A . 21 TRP OXT 1 1 12 3609 1 1 1 CYS C C 5.880 -2.192 -5.220 1.00 . A A . 1 CYS C 1 1 12 3610 1 1 1 CYS CA C 6.598 -1.633 -3.990 1.00 . A A . 1 CYS CA 1 1 12 3611 1 1 1 CYS CB C 7.397 -0.389 -4.386 1.00 . A A . 1 CYS CB 1 1 12 3612 1 1 1 CYS H1 H 8.410 -2.659 -3.988 1.00 . A A . 1 CYS H1 1 1 12 3613 1 1 1 CYS H2 H 7.079 -3.602 -3.514 1.00 . A A . 1 CYS H2 1 1 12 3614 1 1 1 CYS H3 H 7.731 -2.451 -2.447 1.00 . A A . 1 CYS H3 1 1 12 3615 1 1 1 CYS HA H 5.869 -1.368 -3.239 1.00 . A A . 1 CYS HA 1 1 12 3616 1 1 1 CYS HB2 H 8.452 -0.618 -4.370 1.00 . A A . 1 CYS HB2 1 1 12 3617 1 1 1 CYS HB3 H 7.111 -0.080 -5.380 1.00 . A A . 1 CYS HB3 1 1 12 3618 1 1 1 CYS N N 7.525 -2.664 -3.443 1.00 . A A . 1 CYS N 1 1 12 3619 1 1 1 CYS O O 6.446 -2.284 -6.291 1.00 . A A . 1 CYS O 1 1 12 3620 1 1 1 CYS SG S 7.053 0.949 -3.216 1.00 . A A . 1 CYS SG 1 1 12 3621 1 1 2 SER C C 2.390 -3.118 -5.933 1.00 . A A . 2 SER C 1 1 12 3622 1 1 2 SER CA C 3.889 -3.118 -6.239 1.00 . A A . 2 SER CA 1 1 12 3623 1 1 2 SER CB C 4.353 -4.550 -6.509 1.00 . A A . 2 SER CB 1 1 12 3624 1 1 2 SER H H 4.200 -2.484 -4.203 1.00 . A A . 2 SER H 1 1 12 3625 1 1 2 SER HA H 4.079 -2.509 -7.109 1.00 . A A . 2 SER HA 1 1 12 3626 1 1 2 SER HB2 H 4.511 -5.062 -5.575 1.00 . A A . 2 SER HB2 1 1 12 3627 1 1 2 SER HB3 H 3.595 -5.070 -7.079 1.00 . A A . 2 SER HB3 1 1 12 3628 1 1 2 SER HG H 6.018 -3.691 -7.035 1.00 . A A . 2 SER HG 1 1 12 3629 1 1 2 SER N N 4.638 -2.566 -5.075 1.00 . A A . 2 SER N 1 1 12 3630 1 1 2 SER O O 1.862 -4.050 -5.359 1.00 . A A . 2 SER O 1 1 12 3631 1 1 2 SER OG O 5.574 -4.517 -7.236 1.00 . A A . 2 SER OG 1 1 12 3632 1 1 3 CYS C C -0.473 -1.474 -7.306 1.00 . A A . 3 CYS C 1 1 12 3633 1 1 3 CYS CA C 0.231 -2.022 -6.059 1.00 . A A . 3 CYS CA 1 1 12 3634 1 1 3 CYS CB C -0.037 -1.106 -4.853 1.00 . A A . 3 CYS CB 1 1 12 3635 1 1 3 CYS H H 2.141 -1.341 -6.785 1.00 . A A . 3 CYS H 1 1 12 3636 1 1 3 CYS HA H -0.132 -3.017 -5.844 1.00 . A A . 3 CYS HA 1 1 12 3637 1 1 3 CYS HB2 H 0.202 -1.635 -3.944 1.00 . A A . 3 CYS HB2 1 1 12 3638 1 1 3 CYS HB3 H 0.582 -0.224 -4.928 1.00 . A A . 3 CYS HB3 1 1 12 3639 1 1 3 CYS N N 1.697 -2.081 -6.319 1.00 . A A . 3 CYS N 1 1 12 3640 1 1 3 CYS O O 0.142 -0.862 -8.157 1.00 . A A . 3 CYS O 1 1 12 3641 1 1 3 CYS SG S -1.781 -0.619 -4.806 1.00 . A A . 3 CYS SG 1 1 12 3642 1 1 4 SER C C -2.301 0.347 -8.695 1.00 . A A . 4 SER C 1 1 12 3643 1 1 4 SER CA C -2.490 -1.165 -8.611 1.00 . A A . 4 SER CA 1 1 12 3644 1 1 4 SER CB C -3.979 -1.489 -8.476 1.00 . A A . 4 SER CB 1 1 12 3645 1 1 4 SER H H -2.240 -2.172 -6.724 1.00 . A A . 4 SER H 1 1 12 3646 1 1 4 SER HA H -2.100 -1.626 -9.503 1.00 . A A . 4 SER HA 1 1 12 3647 1 1 4 SER HB2 H -4.153 -2.515 -8.753 1.00 . A A . 4 SER HB2 1 1 12 3648 1 1 4 SER HB3 H -4.286 -1.338 -7.449 1.00 . A A . 4 SER HB3 1 1 12 3649 1 1 4 SER HG H -4.165 -0.408 -10.083 1.00 . A A . 4 SER HG 1 1 12 3650 1 1 4 SER N N -1.757 -1.682 -7.421 1.00 . A A . 4 SER N 1 1 12 3651 1 1 4 SER O O -1.821 0.873 -9.679 1.00 . A A . 4 SER O 1 1 12 3652 1 1 4 SER OG O -4.724 -0.639 -9.337 1.00 . A A . 4 SER OG 1 1 12 3653 1 1 5 SER C C -1.841 2.951 -6.342 1.00 . A A . 5 SER C 1 1 12 3654 1 1 5 SER CA C -2.503 2.527 -7.665 1.00 . A A . 5 SER CA 1 1 12 3655 1 1 5 SER CB C -3.877 3.192 -7.810 1.00 . A A . 5 SER CB 1 1 12 3656 1 1 5 SER H H -3.043 0.598 -6.878 1.00 . A A . 5 SER H 1 1 12 3657 1 1 5 SER HA H -1.875 2.809 -8.499 1.00 . A A . 5 SER HA 1 1 12 3658 1 1 5 SER HB2 H -3.902 3.773 -8.718 1.00 . A A . 5 SER HB2 1 1 12 3659 1 1 5 SER HB3 H -4.641 2.426 -7.859 1.00 . A A . 5 SER HB3 1 1 12 3660 1 1 5 SER HG H -4.246 4.938 -7.034 1.00 . A A . 5 SER HG 1 1 12 3661 1 1 5 SER N N -2.667 1.048 -7.662 1.00 . A A . 5 SER N 1 1 12 3662 1 1 5 SER O O -2.369 2.714 -5.273 1.00 . A A . 5 SER O 1 1 12 3663 1 1 5 SER OG O -4.114 4.048 -6.700 1.00 . A A . 5 SER OG 1 1 12 3664 1 1 6 LEU C C -0.851 4.871 -4.274 1.00 . A A . 6 LEU C 1 1 12 3665 1 1 6 LEU CA C 0.028 3.957 -5.148 1.00 . A A . 6 LEU CA 1 1 12 3666 1 1 6 LEU CB C 1.327 4.691 -5.502 1.00 . A A . 6 LEU CB 1 1 12 3667 1 1 6 LEU CD1 C 2.342 2.738 -6.694 1.00 . A A . 6 LEU CD1 1 1 12 3668 1 1 6 LEU CD2 C 3.811 4.443 -5.611 1.00 . A A . 6 LEU CD2 1 1 12 3669 1 1 6 LEU CG C 2.483 3.689 -5.505 1.00 . A A . 6 LEU CG 1 1 12 3670 1 1 6 LEU H H -0.259 3.710 -7.274 1.00 . A A . 6 LEU H 1 1 12 3671 1 1 6 LEU HA H 0.280 3.068 -4.585 1.00 . A A . 6 LEU HA 1 1 12 3672 1 1 6 LEU HB2 H 1.240 5.145 -6.479 1.00 . A A . 6 LEU HB2 1 1 12 3673 1 1 6 LEU HB3 H 1.520 5.455 -4.766 1.00 . A A . 6 LEU HB3 1 1 12 3674 1 1 6 LEU HD11 H 1.776 3.221 -7.478 1.00 . A A . 6 LEU HD11 1 1 12 3675 1 1 6 LEU HD12 H 1.827 1.842 -6.379 1.00 . A A . 6 LEU HD12 1 1 12 3676 1 1 6 LEU HD13 H 3.322 2.477 -7.065 1.00 . A A . 6 LEU HD13 1 1 12 3677 1 1 6 LEU HD21 H 4.622 3.785 -5.334 1.00 . A A . 6 LEU HD21 1 1 12 3678 1 1 6 LEU HD22 H 3.796 5.294 -4.946 1.00 . A A . 6 LEU HD22 1 1 12 3679 1 1 6 LEU HD23 H 3.953 4.783 -6.626 1.00 . A A . 6 LEU HD23 1 1 12 3680 1 1 6 LEU HG H 2.462 3.119 -4.589 1.00 . A A . 6 LEU HG 1 1 12 3681 1 1 6 LEU N N -0.680 3.549 -6.402 1.00 . A A . 6 LEU N 1 1 12 3682 1 1 6 LEU O O -0.554 5.090 -3.116 1.00 . A A . 6 LEU O 1 1 12 3683 1 1 7 MET C C -3.837 5.519 -3.224 1.00 . A A . 7 MET C 1 1 12 3684 1 1 7 MET CA C -2.769 6.325 -3.979 1.00 . A A . 7 MET CA 1 1 12 3685 1 1 7 MET CB C -3.451 7.349 -4.895 1.00 . A A . 7 MET CB 1 1 12 3686 1 1 7 MET CE C -3.434 10.360 -5.642 1.00 . A A . 7 MET CE 1 1 12 3687 1 1 7 MET CG C -4.279 8.326 -4.056 1.00 . A A . 7 MET CG 1 1 12 3688 1 1 7 MET H H -2.141 5.259 -5.736 1.00 . A A . 7 MET H 1 1 12 3689 1 1 7 MET HA H -2.147 6.845 -3.266 1.00 . A A . 7 MET HA 1 1 12 3690 1 1 7 MET HB2 H -2.697 7.897 -5.443 1.00 . A A . 7 MET HB2 1 1 12 3691 1 1 7 MET HB3 H -4.099 6.838 -5.591 1.00 . A A . 7 MET HB3 1 1 12 3692 1 1 7 MET HE1 H -3.278 10.191 -6.699 1.00 . A A . 7 MET HE1 1 1 12 3693 1 1 7 MET HE2 H -2.618 9.924 -5.088 1.00 . A A . 7 MET HE2 1 1 12 3694 1 1 7 MET HE3 H -3.475 11.422 -5.443 1.00 . A A . 7 MET HE3 1 1 12 3695 1 1 7 MET HG2 H -5.073 7.791 -3.556 1.00 . A A . 7 MET HG2 1 1 12 3696 1 1 7 MET HG3 H -3.644 8.796 -3.321 1.00 . A A . 7 MET HG3 1 1 12 3697 1 1 7 MET N N -1.913 5.423 -4.804 1.00 . A A . 7 MET N 1 1 12 3698 1 1 7 MET O O -4.580 6.061 -2.431 1.00 . A A . 7 MET O 1 1 12 3699 1 1 7 MET SD S -4.991 9.592 -5.134 1.00 . A A . 7 MET SD 1 1 12 3700 1 1 8 ASP C C -4.741 3.558 -1.227 1.00 . A A . 8 ASP C 1 1 12 3701 1 1 8 ASP CA C -4.951 3.422 -2.738 1.00 . A A . 8 ASP CA 1 1 12 3702 1 1 8 ASP CB C -4.824 1.946 -3.133 1.00 . A A . 8 ASP CB 1 1 12 3703 1 1 8 ASP CG C -6.201 1.283 -3.076 1.00 . A A . 8 ASP CG 1 1 12 3704 1 1 8 ASP H H -3.321 3.810 -4.096 1.00 . A A . 8 ASP H 1 1 12 3705 1 1 8 ASP HA H -5.937 3.779 -2.996 1.00 . A A . 8 ASP HA 1 1 12 3706 1 1 8 ASP HB2 H -4.431 1.870 -4.135 1.00 . A A . 8 ASP HB2 1 1 12 3707 1 1 8 ASP HB3 H -4.157 1.446 -2.447 1.00 . A A . 8 ASP HB3 1 1 12 3708 1 1 8 ASP N N -3.924 4.235 -3.456 1.00 . A A . 8 ASP N 1 1 12 3709 1 1 8 ASP O O -4.124 4.493 -0.758 1.00 . A A . 8 ASP O 1 1 12 3710 1 1 8 ASP OD1 O -7.111 1.896 -2.544 1.00 . A A . 8 ASP OD1 1 1 12 3711 1 1 8 ASP OD2 O -6.322 0.171 -3.566 1.00 . A A . 8 ASP OD2 1 1 12 3712 1 1 9 LYS C C -4.393 1.410 1.519 1.00 . A A . 9 LYS C 1 1 12 3713 1 1 9 LYS CA C -5.071 2.698 1.018 1.00 . A A . 9 LYS CA 1 1 12 3714 1 1 9 LYS CB C -6.441 2.885 1.696 1.00 . A A . 9 LYS CB 1 1 12 3715 1 1 9 LYS CD C -6.633 5.381 1.483 1.00 . A A . 9 LYS CD 1 1 12 3716 1 1 9 LYS CE C -5.980 6.086 0.292 1.00 . A A . 9 LYS CE 1 1 12 3717 1 1 9 LYS CG C -7.214 4.039 1.029 1.00 . A A . 9 LYS CG 1 1 12 3718 1 1 9 LYS H H -5.732 1.878 -0.868 1.00 . A A . 9 LYS H 1 1 12 3719 1 1 9 LYS HA H -4.435 3.539 1.259 1.00 . A A . 9 LYS HA 1 1 12 3720 1 1 9 LYS HB2 H -7.012 1.974 1.607 1.00 . A A . 9 LYS HB2 1 1 12 3721 1 1 9 LYS HB3 H -6.295 3.115 2.741 1.00 . A A . 9 LYS HB3 1 1 12 3722 1 1 9 LYS HD2 H -7.427 6.001 1.875 1.00 . A A . 9 LYS HD2 1 1 12 3723 1 1 9 LYS HD3 H -5.894 5.215 2.251 1.00 . A A . 9 LYS HD3 1 1 12 3724 1 1 9 LYS HE2 H -5.992 5.429 -0.565 1.00 . A A . 9 LYS HE2 1 1 12 3725 1 1 9 LYS HE3 H -6.529 6.986 0.062 1.00 . A A . 9 LYS HE3 1 1 12 3726 1 1 9 LYS HG2 H -7.137 3.954 -0.046 1.00 . A A . 9 LYS HG2 1 1 12 3727 1 1 9 LYS HG3 H -8.257 3.992 1.317 1.00 . A A . 9 LYS HG3 1 1 12 3728 1 1 9 LYS HZ1 H -3.961 6.257 -0.189 1.00 . A A . 9 LYS HZ1 1 1 12 3729 1 1 9 LYS HZ2 H -4.255 5.853 1.435 1.00 . A A . 9 LYS HZ2 1 1 12 3730 1 1 9 LYS HZ3 H -4.517 7.441 0.890 1.00 . A A . 9 LYS HZ3 1 1 12 3731 1 1 9 LYS N N -5.245 2.626 -0.464 1.00 . A A . 9 LYS N 1 1 12 3732 1 1 9 LYS NZ N -4.572 6.435 0.632 1.00 . A A . 9 LYS NZ 1 1 12 3733 1 1 9 LYS O O -3.217 1.405 1.820 1.00 . A A . 9 LYS O 1 1 12 3734 1 1 10 GLU C C -3.550 -1.480 0.982 1.00 . A A . 10 GLU C 1 1 12 3735 1 1 10 GLU CA C -4.481 -0.947 2.077 1.00 . A A . 10 GLU CA 1 1 12 3736 1 1 10 GLU CB C -5.586 -1.969 2.385 1.00 . A A . 10 GLU CB 1 1 12 3737 1 1 10 GLU CD C -5.557 -4.235 3.442 1.00 . A A . 10 GLU CD 1 1 12 3738 1 1 10 GLU CG C -5.038 -3.393 2.275 1.00 . A A . 10 GLU CG 1 1 12 3739 1 1 10 GLU H H -6.050 0.318 1.361 1.00 . A A . 10 GLU H 1 1 12 3740 1 1 10 GLU HA H -3.909 -0.752 2.971 1.00 . A A . 10 GLU HA 1 1 12 3741 1 1 10 GLU HB2 H -5.955 -1.804 3.387 1.00 . A A . 10 GLU HB2 1 1 12 3742 1 1 10 GLU HB3 H -6.396 -1.843 1.682 1.00 . A A . 10 GLU HB3 1 1 12 3743 1 1 10 GLU HG2 H -5.362 -3.829 1.340 1.00 . A A . 10 GLU HG2 1 1 12 3744 1 1 10 GLU HG3 H -3.959 -3.365 2.303 1.00 . A A . 10 GLU HG3 1 1 12 3745 1 1 10 GLU N N -5.109 0.316 1.606 1.00 . A A . 10 GLU N 1 1 12 3746 1 1 10 GLU O O -2.542 -2.101 1.258 1.00 . A A . 10 GLU O 1 1 12 3747 1 1 10 GLU OE1 O -5.265 -3.887 4.573 1.00 . A A . 10 GLU OE1 1 1 12 3748 1 1 10 GLU OE2 O -6.238 -5.214 3.183 1.00 . A A . 10 GLU OE2 1 1 12 3749 1 1 11 CYS C C -1.732 -0.833 -1.368 1.00 . A A . 11 CYS C 1 1 12 3750 1 1 11 CYS CA C -2.991 -1.694 -1.363 1.00 . A A . 11 CYS CA 1 1 12 3751 1 1 11 CYS CB C -3.729 -1.546 -2.695 1.00 . A A . 11 CYS CB 1 1 12 3752 1 1 11 CYS H H -4.673 -0.703 -0.458 1.00 . A A . 11 CYS H 1 1 12 3753 1 1 11 CYS HA H -2.723 -2.728 -1.206 1.00 . A A . 11 CYS HA 1 1 12 3754 1 1 11 CYS HB2 H -4.668 -2.076 -2.647 1.00 . A A . 11 CYS HB2 1 1 12 3755 1 1 11 CYS HB3 H -3.917 -0.499 -2.886 1.00 . A A . 11 CYS HB3 1 1 12 3756 1 1 11 CYS N N -3.869 -1.224 -0.257 1.00 . A A . 11 CYS N 1 1 12 3757 1 1 11 CYS O O -0.748 -1.139 -2.012 1.00 . A A . 11 CYS O 1 1 12 3758 1 1 11 CYS SG S -2.717 -2.229 -4.028 1.00 . A A . 11 CYS SG 1 1 12 3759 1 1 12 VAL C C 0.421 0.639 0.434 1.00 . A A . 12 VAL C 1 1 12 3760 1 1 12 VAL CA C -0.604 1.166 -0.581 1.00 . A A . 12 VAL CA 1 1 12 3761 1 1 12 VAL CB C -1.112 2.546 -0.159 1.00 . A A . 12 VAL CB 1 1 12 3762 1 1 12 VAL CG1 C 0.034 3.386 0.378 1.00 . A A . 12 VAL CG1 1 1 12 3763 1 1 12 VAL CG2 C -1.734 3.243 -1.368 1.00 . A A . 12 VAL CG2 1 1 12 3764 1 1 12 VAL H H -2.580 0.474 -0.145 1.00 . A A . 12 VAL H 1 1 12 3765 1 1 12 VAL HA H -0.144 1.236 -1.553 1.00 . A A . 12 VAL HA 1 1 12 3766 1 1 12 VAL HB H -1.858 2.436 0.611 1.00 . A A . 12 VAL HB 1 1 12 3767 1 1 12 VAL HG11 H -0.347 4.345 0.698 1.00 . A A . 12 VAL HG11 1 1 12 3768 1 1 12 VAL HG12 H 0.769 3.527 -0.398 1.00 . A A . 12 VAL HG12 1 1 12 3769 1 1 12 VAL HG13 H 0.484 2.879 1.218 1.00 . A A . 12 VAL HG13 1 1 12 3770 1 1 12 VAL HG21 H -1.018 3.268 -2.175 1.00 . A A . 12 VAL HG21 1 1 12 3771 1 1 12 VAL HG22 H -2.012 4.251 -1.100 1.00 . A A . 12 VAL HG22 1 1 12 3772 1 1 12 VAL HG23 H -2.613 2.699 -1.683 1.00 . A A . 12 VAL HG23 1 1 12 3773 1 1 12 VAL N N -1.770 0.252 -0.647 1.00 . A A . 12 VAL N 1 1 12 3774 1 1 12 VAL O O 1.612 0.795 0.260 1.00 . A A . 12 VAL O 1 1 12 3775 1 1 13 TYR C C 2.009 -1.346 1.843 1.00 . A A . 13 TYR C 1 1 12 3776 1 1 13 TYR CA C 0.925 -0.503 2.515 1.00 . A A . 13 TYR CA 1 1 12 3777 1 1 13 TYR CB C 0.163 -1.374 3.513 1.00 . A A . 13 TYR CB 1 1 12 3778 1 1 13 TYR CD1 C -0.875 0.816 4.211 1.00 . A A . 13 TYR CD1 1 1 12 3779 1 1 13 TYR CD2 C -2.105 -1.237 4.602 1.00 . A A . 13 TYR CD2 1 1 12 3780 1 1 13 TYR CE1 C -1.922 1.550 4.779 1.00 . A A . 13 TYR CE1 1 1 12 3781 1 1 13 TYR CE2 C -3.152 -0.502 5.170 1.00 . A A . 13 TYR CE2 1 1 12 3782 1 1 13 TYR CG C -0.966 -0.579 4.122 1.00 . A A . 13 TYR CG 1 1 12 3783 1 1 13 TYR CZ C -3.060 0.892 5.258 1.00 . A A . 13 TYR CZ 1 1 12 3784 1 1 13 TYR H H -0.990 -0.097 1.624 1.00 . A A . 13 TYR H 1 1 12 3785 1 1 13 TYR HA H 1.383 0.323 3.038 1.00 . A A . 13 TYR HA 1 1 12 3786 1 1 13 TYR HB2 H -0.240 -2.237 3.003 1.00 . A A . 13 TYR HB2 1 1 12 3787 1 1 13 TYR HB3 H 0.834 -1.698 4.292 1.00 . A A . 13 TYR HB3 1 1 12 3788 1 1 13 TYR HD1 H 0.002 1.324 3.841 1.00 . A A . 13 TYR HD1 1 1 12 3789 1 1 13 TYR HD2 H -2.175 -2.313 4.533 1.00 . A A . 13 TYR HD2 1 1 12 3790 1 1 13 TYR HE1 H -1.852 2.626 4.847 1.00 . A A . 13 TYR HE1 1 1 12 3791 1 1 13 TYR HE2 H -4.030 -1.011 5.539 1.00 . A A . 13 TYR HE2 1 1 12 3792 1 1 13 TYR HH H -4.551 1.048 6.441 1.00 . A A . 13 TYR HH 1 1 12 3793 1 1 13 TYR N N -0.028 0.021 1.494 1.00 . A A . 13 TYR N 1 1 12 3794 1 1 13 TYR O O 3.098 -1.497 2.360 1.00 . A A . 13 TYR O 1 1 12 3795 1 1 13 TYR OH O -4.093 1.617 5.817 1.00 . A A . 13 TYR OH 1 1 12 3796 1 1 14 PHE C C 3.938 -1.922 -0.392 1.00 . A A . 14 PHE C 1 1 12 3797 1 1 14 PHE CA C 2.725 -2.760 0.017 1.00 . A A . 14 PHE CA 1 1 12 3798 1 1 14 PHE CB C 2.085 -3.391 -1.217 1.00 . A A . 14 PHE CB 1 1 12 3799 1 1 14 PHE CD1 C 0.576 -4.475 0.488 1.00 . A A . 14 PHE CD1 1 1 12 3800 1 1 14 PHE CD2 C -0.266 -4.125 -1.760 1.00 . A A . 14 PHE CD2 1 1 12 3801 1 1 14 PHE CE1 C -0.644 -5.051 0.857 1.00 . A A . 14 PHE CE1 1 1 12 3802 1 1 14 PHE CE2 C -1.487 -4.701 -1.389 1.00 . A A . 14 PHE CE2 1 1 12 3803 1 1 14 PHE CG C 0.766 -4.012 -0.822 1.00 . A A . 14 PHE CG 1 1 12 3804 1 1 14 PHE CZ C -1.675 -5.164 -0.080 1.00 . A A . 14 PHE CZ 1 1 12 3805 1 1 14 PHE H H 0.827 -1.789 0.315 1.00 . A A . 14 PHE H 1 1 12 3806 1 1 14 PHE HA H 3.045 -3.542 0.691 1.00 . A A . 14 PHE HA 1 1 12 3807 1 1 14 PHE HB2 H 1.919 -2.630 -1.966 1.00 . A A . 14 PHE HB2 1 1 12 3808 1 1 14 PHE HB3 H 2.738 -4.153 -1.614 1.00 . A A . 14 PHE HB3 1 1 12 3809 1 1 14 PHE HD1 H 1.373 -4.389 1.212 1.00 . A A . 14 PHE HD1 1 1 12 3810 1 1 14 PHE HD2 H -0.121 -3.769 -2.769 1.00 . A A . 14 PHE HD2 1 1 12 3811 1 1 14 PHE HE1 H -0.789 -5.407 1.866 1.00 . A A . 14 PHE HE1 1 1 12 3812 1 1 14 PHE HE2 H -2.284 -4.789 -2.113 1.00 . A A . 14 PHE HE2 1 1 12 3813 1 1 14 PHE HZ H -2.617 -5.608 0.205 1.00 . A A . 14 PHE HZ 1 1 12 3814 1 1 14 PHE N N 1.716 -1.911 0.708 1.00 . A A . 14 PHE N 1 1 12 3815 1 1 14 PHE O O 5.048 -2.413 -0.456 1.00 . A A . 14 PHE O 1 1 12 3816 1 1 15 CYS C C 5.652 0.695 0.166 1.00 . A A . 15 CYS C 1 1 12 3817 1 1 15 CYS CA C 4.895 0.197 -1.075 1.00 . A A . 15 CYS CA 1 1 12 3818 1 1 15 CYS CB C 4.376 1.398 -1.869 1.00 . A A . 15 CYS CB 1 1 12 3819 1 1 15 CYS H H 2.843 -0.282 -0.620 1.00 . A A . 15 CYS H 1 1 12 3820 1 1 15 CYS HA H 5.566 -0.376 -1.695 1.00 . A A . 15 CYS HA 1 1 12 3821 1 1 15 CYS HB2 H 3.303 1.339 -1.949 1.00 . A A . 15 CYS HB2 1 1 12 3822 1 1 15 CYS HB3 H 4.650 2.311 -1.360 1.00 . A A . 15 CYS HB3 1 1 12 3823 1 1 15 CYS N N 3.744 -0.662 -0.670 1.00 . A A . 15 CYS N 1 1 12 3824 1 1 15 CYS O O 6.340 1.696 0.115 1.00 . A A . 15 CYS O 1 1 12 3825 1 1 15 CYS SG S 5.106 1.389 -3.526 1.00 . A A . 15 CYS SG 1 1 12 3826 1 1 16 HIS C C 5.528 1.624 3.155 1.00 . A A . 16 HIS C 1 1 12 3827 1 1 16 HIS CA C 6.265 0.447 2.506 1.00 . A A . 16 HIS CA 1 1 12 3828 1 1 16 HIS CB C 7.684 0.882 2.135 1.00 . A A . 16 HIS CB 1 1 12 3829 1 1 16 HIS CD2 C 9.508 -0.442 3.487 1.00 . A A . 16 HIS CD2 1 1 12 3830 1 1 16 HIS CE1 C 9.618 0.855 5.219 1.00 . A A . 16 HIS CE1 1 1 12 3831 1 1 16 HIS CG C 8.616 0.580 3.276 1.00 . A A . 16 HIS CG 1 1 12 3832 1 1 16 HIS H H 4.987 -0.797 1.302 1.00 . A A . 16 HIS H 1 1 12 3833 1 1 16 HIS HA H 6.317 -0.376 3.204 1.00 . A A . 16 HIS HA 1 1 12 3834 1 1 16 HIS HB2 H 8.006 0.344 1.255 1.00 . A A . 16 HIS HB2 1 1 12 3835 1 1 16 HIS HB3 H 7.694 1.943 1.932 1.00 . A A . 16 HIS HB3 1 1 12 3836 1 1 16 HIS HD1 H 8.192 2.216 4.554 1.00 . A A . 16 HIS HD1 1 1 12 3837 1 1 16 HIS HD2 H 9.691 -1.258 2.804 1.00 . A A . 16 HIS HD2 1 1 12 3838 1 1 16 HIS HE1 H 9.897 1.275 6.174 1.00 . A A . 16 HIS HE1 1 1 12 3839 1 1 16 HIS N N 5.540 0.008 1.276 1.00 . A A . 16 HIS N 1 1 12 3840 1 1 16 HIS ND1 N 8.703 1.396 4.394 1.00 . A A . 16 HIS ND1 1 1 12 3841 1 1 16 HIS NE2 N 10.140 -0.267 4.715 1.00 . A A . 16 HIS NE2 1 1 12 3842 1 1 16 HIS O O 6.138 2.570 3.611 1.00 . A A . 16 HIS O 1 1 12 3843 1 1 17 LEU C C 2.865 2.263 5.141 1.00 . A A . 17 LEU C 1 1 12 3844 1 1 17 LEU CA C 3.459 2.698 3.798 1.00 . A A . 17 LEU CA 1 1 12 3845 1 1 17 LEU CB C 2.332 3.074 2.848 1.00 . A A . 17 LEU CB 1 1 12 3846 1 1 17 LEU CD1 C 4.039 4.636 1.880 1.00 . A A . 17 LEU CD1 1 1 12 3847 1 1 17 LEU CD2 C 3.443 2.534 0.670 1.00 . A A . 17 LEU CD2 1 1 12 3848 1 1 17 LEU CG C 2.905 3.663 1.553 1.00 . A A . 17 LEU CG 1 1 12 3849 1 1 17 LEU H H 3.737 0.828 2.815 1.00 . A A . 17 LEU H 1 1 12 3850 1 1 17 LEU HA H 4.108 3.548 3.944 1.00 . A A . 17 LEU HA 1 1 12 3851 1 1 17 LEU HB2 H 1.753 2.193 2.620 1.00 . A A . 17 LEU HB2 1 1 12 3852 1 1 17 LEU HB3 H 1.705 3.790 3.321 1.00 . A A . 17 LEU HB3 1 1 12 3853 1 1 17 LEU HD11 H 3.739 5.281 2.691 1.00 . A A . 17 LEU HD11 1 1 12 3854 1 1 17 LEU HD12 H 4.264 5.232 1.008 1.00 . A A . 17 LEU HD12 1 1 12 3855 1 1 17 LEU HD13 H 4.919 4.077 2.169 1.00 . A A . 17 LEU HD13 1 1 12 3856 1 1 17 LEU HD21 H 2.896 2.514 -0.261 1.00 . A A . 17 LEU HD21 1 1 12 3857 1 1 17 LEU HD22 H 3.322 1.590 1.179 1.00 . A A . 17 LEU HD22 1 1 12 3858 1 1 17 LEU HD23 H 4.490 2.704 0.468 1.00 . A A . 17 LEU HD23 1 1 12 3859 1 1 17 LEU HG H 2.125 4.192 1.025 1.00 . A A . 17 LEU HG 1 1 12 3860 1 1 17 LEU N N 4.222 1.583 3.194 1.00 . A A . 17 LEU N 1 1 12 3861 1 1 17 LEU O O 1.662 2.226 5.311 1.00 . A A . 17 LEU O 1 1 12 3862 1 1 18 ASP C C 1.966 0.612 7.264 1.00 . A A . 18 ASP C 1 1 12 3863 1 1 18 ASP CA C 3.191 1.519 7.431 1.00 . A A . 18 ASP CA 1 1 12 3864 1 1 18 ASP CB C 2.799 2.759 8.238 1.00 . A A . 18 ASP CB 1 1 12 3865 1 1 18 ASP CG C 2.007 2.338 9.477 1.00 . A A . 18 ASP CG 1 1 12 3866 1 1 18 ASP H H 4.658 1.992 5.930 1.00 . A A . 18 ASP H 1 1 12 3867 1 1 18 ASP HA H 3.968 0.983 7.956 1.00 . A A . 18 ASP HA 1 1 12 3868 1 1 18 ASP HB2 H 3.692 3.286 8.542 1.00 . A A . 18 ASP HB2 1 1 12 3869 1 1 18 ASP HB3 H 2.190 3.408 7.626 1.00 . A A . 18 ASP HB3 1 1 12 3870 1 1 18 ASP N N 3.697 1.944 6.093 1.00 . A A . 18 ASP N 1 1 12 3871 1 1 18 ASP O O 0.844 1.031 7.472 1.00 . A A . 18 ASP O 1 1 12 3872 1 1 18 ASP OD1 O 2.618 1.822 10.398 1.00 . A A . 18 ASP OD1 1 1 12 3873 1 1 18 ASP OD2 O 0.804 2.538 9.483 1.00 . A A . 18 ASP OD2 1 1 12 3874 1 1 19 ILE C C 0.269 -1.688 8.056 1.00 . A A . 19 ILE C 1 1 12 3875 1 1 19 ILE CA C 1.005 -1.541 6.720 1.00 . A A . 19 ILE CA 1 1 12 3876 1 1 19 ILE CB C 1.502 -2.915 6.236 1.00 . A A . 19 ILE CB 1 1 12 3877 1 1 19 ILE CD1 C 2.325 -5.169 6.947 1.00 . A A . 19 ILE CD1 1 1 12 3878 1 1 19 ILE CG1 C 1.959 -3.766 7.428 1.00 . A A . 19 ILE CG1 1 1 12 3879 1 1 19 ILE CG2 C 2.679 -2.726 5.278 1.00 . A A . 19 ILE CG2 1 1 12 3880 1 1 19 ILE H H 3.073 -0.951 6.728 1.00 . A A . 19 ILE H 1 1 12 3881 1 1 19 ILE HA H 0.329 -1.126 5.988 1.00 . A A . 19 ILE HA 1 1 12 3882 1 1 19 ILE HB H 0.703 -3.420 5.718 1.00 . A A . 19 ILE HB 1 1 12 3883 1 1 19 ILE HD11 H 2.623 -5.128 5.911 1.00 . A A . 19 ILE HD11 1 1 12 3884 1 1 19 ILE HD12 H 1.469 -5.819 7.052 1.00 . A A . 19 ILE HD12 1 1 12 3885 1 1 19 ILE HD13 H 3.142 -5.551 7.543 1.00 . A A . 19 ILE HD13 1 1 12 3886 1 1 19 ILE HG12 H 2.820 -3.306 7.890 1.00 . A A . 19 ILE HG12 1 1 12 3887 1 1 19 ILE HG13 H 1.158 -3.837 8.147 1.00 . A A . 19 ILE HG13 1 1 12 3888 1 1 19 ILE HG21 H 3.606 -2.867 5.814 1.00 . A A . 19 ILE HG21 1 1 12 3889 1 1 19 ILE HG22 H 2.650 -1.730 4.864 1.00 . A A . 19 ILE HG22 1 1 12 3890 1 1 19 ILE HG23 H 2.612 -3.451 4.479 1.00 . A A . 19 ILE HG23 1 1 12 3891 1 1 19 ILE N N 2.164 -0.625 6.893 1.00 . A A . 19 ILE N 1 1 12 3892 1 1 19 ILE O O 0.864 -2.004 9.067 1.00 . A A . 19 ILE O 1 1 12 3893 1 1 20 ILE C C -2.780 -2.738 9.242 1.00 . A A . 20 ILE C 1 1 12 3894 1 1 20 ILE CA C -1.762 -1.606 9.359 1.00 . A A . 20 ILE CA 1 1 12 3895 1 1 20 ILE CB C -2.483 -0.297 9.680 1.00 . A A . 20 ILE CB 1 1 12 3896 1 1 20 ILE CD1 C -0.537 0.176 11.181 1.00 . A A . 20 ILE CD1 1 1 12 3897 1 1 20 ILE CG1 C -1.458 0.756 10.105 1.00 . A A . 20 ILE CG1 1 1 12 3898 1 1 20 ILE CG2 C -3.477 -0.526 10.822 1.00 . A A . 20 ILE CG2 1 1 12 3899 1 1 20 ILE H H -1.487 -1.204 7.251 1.00 . A A . 20 ILE H 1 1 12 3900 1 1 20 ILE HA H -1.066 -1.839 10.153 1.00 . A A . 20 ILE HA 1 1 12 3901 1 1 20 ILE HB H -3.014 0.046 8.805 1.00 . A A . 20 ILE HB 1 1 12 3902 1 1 20 ILE HD11 H -1.097 -0.503 11.806 1.00 . A A . 20 ILE HD11 1 1 12 3903 1 1 20 ILE HD12 H -0.142 0.979 11.786 1.00 . A A . 20 ILE HD12 1 1 12 3904 1 1 20 ILE HD13 H 0.277 -0.354 10.709 1.00 . A A . 20 ILE HD13 1 1 12 3905 1 1 20 ILE HG12 H -0.871 1.054 9.248 1.00 . A A . 20 ILE HG12 1 1 12 3906 1 1 20 ILE HG13 H -1.974 1.613 10.502 1.00 . A A . 20 ILE HG13 1 1 12 3907 1 1 20 ILE HG21 H -3.366 0.255 11.558 1.00 . A A . 20 ILE HG21 1 1 12 3908 1 1 20 ILE HG22 H -3.284 -1.484 11.280 1.00 . A A . 20 ILE HG22 1 1 12 3909 1 1 20 ILE HG23 H -4.483 -0.512 10.429 1.00 . A A . 20 ILE HG23 1 1 12 3910 1 1 20 ILE N N -1.015 -1.464 8.076 1.00 . A A . 20 ILE N 1 1 12 3911 1 1 20 ILE O O -3.957 -2.513 9.050 1.00 . A A . 20 ILE O 1 1 12 3912 1 1 21 TRP C C -4.402 -4.936 10.282 1.00 . A A . 21 TRP C 1 1 12 3913 1 1 21 TRP CA C -3.278 -5.107 9.258 1.00 . A A . 21 TRP CA 1 1 12 3914 1 1 21 TRP CB C -2.563 -6.444 9.511 1.00 . A A . 21 TRP CB 1 1 12 3915 1 1 21 TRP CD1 C -0.247 -7.078 10.292 1.00 . A A . 21 TRP CD1 1 1 12 3916 1 1 21 TRP CD2 C -1.042 -5.291 11.404 1.00 . A A . 21 TRP CD2 1 1 12 3917 1 1 21 TRP CE2 C 0.250 -5.552 11.920 1.00 . A A . 21 TRP CE2 1 1 12 3918 1 1 21 TRP CE3 C -1.759 -4.207 11.942 1.00 . A A . 21 TRP CE3 1 1 12 3919 1 1 21 TRP CG C -1.334 -6.274 10.361 1.00 . A A . 21 TRP CG 1 1 12 3920 1 1 21 TRP CH2 C 0.079 -3.698 13.455 1.00 . A A . 21 TRP CH2 1 1 12 3921 1 1 21 TRP CZ2 C 0.807 -4.770 12.932 1.00 . A A . 21 TRP CZ2 1 1 12 3922 1 1 21 TRP CZ3 C -1.201 -3.417 12.960 1.00 . A A . 21 TRP CZ3 1 1 12 3923 1 1 21 TRP H H -1.379 -4.110 9.513 1.00 . A A . 21 TRP H 1 1 12 3924 1 1 21 TRP HA H -3.708 -5.118 8.266 1.00 . A A . 21 TRP HA 1 1 12 3925 1 1 21 TRP HB2 H -3.242 -7.117 10.011 1.00 . A A . 21 TRP HB2 1 1 12 3926 1 1 21 TRP HB3 H -2.278 -6.873 8.561 1.00 . A A . 21 TRP HB3 1 1 12 3927 1 1 21 TRP HD1 H -0.131 -7.918 9.624 1.00 . A A . 21 TRP HD1 1 1 12 3928 1 1 21 TRP HE1 H 1.569 -7.060 11.356 1.00 . A A . 21 TRP HE1 1 1 12 3929 1 1 21 TRP HE3 H -2.743 -3.978 11.568 1.00 . A A . 21 TRP HE3 1 1 12 3930 1 1 21 TRP HH2 H 0.503 -3.087 14.238 1.00 . A A . 21 TRP HH2 1 1 12 3931 1 1 21 TRP HZ2 H 1.795 -4.991 13.307 1.00 . A A . 21 TRP HZ2 1 1 12 3932 1 1 21 TRP HZ3 H -1.763 -2.588 13.367 1.00 . A A . 21 TRP HZ3 1 1 12 3933 1 1 21 TRP N N -2.331 -3.957 9.360 1.00 . A A . 21 TRP N 1 1 12 3934 1 1 21 TRP NE1 N 0.691 -6.649 11.212 1.00 . A A . 21 TRP NE1 1 1 12 3935 1 1 21 TRP O O -4.300 -5.523 11.347 1.00 . A A . 21 TRP O 1 1 12 3936 1 1 21 TRP OXT O -5.346 -4.223 9.984 1.00 . A A . 21 TRP OXT 1 1 13 3937 1 1 1 CYS C C 6.013 -2.765 -4.958 1.00 . A A . 1 CYS C 1 1 13 3938 1 1 1 CYS CA C 6.756 -2.236 -3.729 1.00 . A A . 1 CYS CA 1 1 13 3939 1 1 1 CYS CB C 6.845 -0.709 -3.804 1.00 . A A . 1 CYS CB 1 1 13 3940 1 1 1 CYS H1 H 8.086 -3.826 -3.918 1.00 . A A . 1 CYS H1 1 1 13 3941 1 1 1 CYS H2 H 8.533 -2.685 -2.742 1.00 . A A . 1 CYS H2 1 1 13 3942 1 1 1 CYS H3 H 8.728 -2.329 -4.393 1.00 . A A . 1 CYS H3 1 1 13 3943 1 1 1 CYS HA H 6.221 -2.522 -2.835 1.00 . A A . 1 CYS HA 1 1 13 3944 1 1 1 CYS HB2 H 7.199 -0.322 -2.860 1.00 . A A . 1 CYS HB2 1 1 13 3945 1 1 1 CYS HB3 H 7.531 -0.427 -4.590 1.00 . A A . 1 CYS HB3 1 1 13 3946 1 1 1 CYS N N 8.129 -2.812 -3.693 1.00 . A A . 1 CYS N 1 1 13 3947 1 1 1 CYS O O 6.614 -3.214 -5.914 1.00 . A A . 1 CYS O 1 1 13 3948 1 1 1 CYS SG S 5.207 -0.022 -4.161 1.00 . A A . 1 CYS SG 1 1 13 3949 1 1 2 SER C C 2.433 -3.175 -5.772 1.00 . A A . 2 SER C 1 1 13 3950 1 1 2 SER CA C 3.927 -3.208 -6.106 1.00 . A A . 2 SER CA 1 1 13 3951 1 1 2 SER CB C 4.344 -4.644 -6.427 1.00 . A A . 2 SER CB 1 1 13 3952 1 1 2 SER H H 4.245 -2.344 -4.159 1.00 . A A . 2 SER H 1 1 13 3953 1 1 2 SER HA H 4.118 -2.578 -6.962 1.00 . A A . 2 SER HA 1 1 13 3954 1 1 2 SER HB2 H 4.656 -5.140 -5.524 1.00 . A A . 2 SER HB2 1 1 13 3955 1 1 2 SER HB3 H 3.503 -5.173 -6.855 1.00 . A A . 2 SER HB3 1 1 13 3956 1 1 2 SER HG H 5.216 -3.989 -8.039 1.00 . A A . 2 SER HG 1 1 13 3957 1 1 2 SER N N 4.709 -2.712 -4.940 1.00 . A A . 2 SER N 1 1 13 3958 1 1 2 SER O O 1.925 -4.030 -5.074 1.00 . A A . 2 SER O 1 1 13 3959 1 1 2 SER OG O 5.426 -4.623 -7.349 1.00 . A A . 2 SER OG 1 1 13 3960 1 1 3 CYS C C -0.455 -1.603 -7.237 1.00 . A A . 3 CYS C 1 1 13 3961 1 1 3 CYS CA C 0.268 -2.111 -5.983 1.00 . A A . 3 CYS CA 1 1 13 3962 1 1 3 CYS CB C 0.035 -1.142 -4.813 1.00 . A A . 3 CYS CB 1 1 13 3963 1 1 3 CYS H H 2.158 -1.519 -6.832 1.00 . A A . 3 CYS H 1 1 13 3964 1 1 3 CYS HA H -0.102 -3.091 -5.720 1.00 . A A . 3 CYS HA 1 1 13 3965 1 1 3 CYS HB2 H 0.291 -1.633 -3.886 1.00 . A A . 3 CYS HB2 1 1 13 3966 1 1 3 CYS HB3 H 0.657 -0.268 -4.939 1.00 . A A . 3 CYS HB3 1 1 13 3967 1 1 3 CYS N N 1.728 -2.196 -6.269 1.00 . A A . 3 CYS N 1 1 13 3968 1 1 3 CYS O O 0.147 -1.026 -8.120 1.00 . A A . 3 CYS O 1 1 13 3969 1 1 3 CYS SG S -1.703 -0.642 -4.748 1.00 . A A . 3 CYS SG 1 1 13 3970 1 1 4 SER C C -2.307 0.184 -8.644 1.00 . A A . 4 SER C 1 1 13 3971 1 1 4 SER CA C -2.495 -1.326 -8.512 1.00 . A A . 4 SER CA 1 1 13 3972 1 1 4 SER CB C -3.981 -1.644 -8.344 1.00 . A A . 4 SER CB 1 1 13 3973 1 1 4 SER H H -2.216 -2.267 -6.594 1.00 . A A . 4 SER H 1 1 13 3974 1 1 4 SER HA H -2.119 -1.813 -9.397 1.00 . A A . 4 SER HA 1 1 13 3975 1 1 4 SER HB2 H -4.163 -2.673 -8.606 1.00 . A A . 4 SER HB2 1 1 13 3976 1 1 4 SER HB3 H -4.268 -1.483 -7.312 1.00 . A A . 4 SER HB3 1 1 13 3977 1 1 4 SER HG H -4.244 -0.673 -10.009 1.00 . A A . 4 SER HG 1 1 13 3978 1 1 4 SER N N -1.744 -1.806 -7.319 1.00 . A A . 4 SER N 1 1 13 3979 1 1 4 SER O O -1.840 0.681 -9.650 1.00 . A A . 4 SER O 1 1 13 3980 1 1 4 SER OG O -4.742 -0.801 -9.198 1.00 . A A . 4 SER OG 1 1 13 3981 1 1 5 SER C C -1.882 2.864 -6.342 1.00 . A A . 5 SER C 1 1 13 3982 1 1 5 SER CA C -2.494 2.394 -7.673 1.00 . A A . 5 SER CA 1 1 13 3983 1 1 5 SER CB C -3.861 3.052 -7.893 1.00 . A A . 5 SER CB 1 1 13 3984 1 1 5 SER H H -3.023 0.490 -6.824 1.00 . A A . 5 SER H 1 1 13 3985 1 1 5 SER HA H -1.834 2.648 -8.493 1.00 . A A . 5 SER HA 1 1 13 3986 1 1 5 SER HB2 H -3.854 3.596 -8.823 1.00 . A A . 5 SER HB2 1 1 13 3987 1 1 5 SER HB3 H -4.624 2.286 -7.935 1.00 . A A . 5 SER HB3 1 1 13 3988 1 1 5 SER HG H -4.958 4.405 -7.025 1.00 . A A . 5 SER HG 1 1 13 3989 1 1 5 SER N N -2.658 0.916 -7.626 1.00 . A A . 5 SER N 1 1 13 3990 1 1 5 SER O O -2.444 2.652 -5.285 1.00 . A A . 5 SER O 1 1 13 3991 1 1 5 SER OG O -4.134 3.954 -6.827 1.00 . A A . 5 SER OG 1 1 13 3992 1 1 6 LEU C C -0.975 4.870 -4.307 1.00 . A A . 6 LEU C 1 1 13 3993 1 1 6 LEU CA C -0.065 3.925 -5.114 1.00 . A A . 6 LEU CA 1 1 13 3994 1 1 6 LEU CB C 1.246 4.648 -5.446 1.00 . A A . 6 LEU CB 1 1 13 3995 1 1 6 LEU CD1 C 2.320 2.664 -6.532 1.00 . A A . 6 LEU CD1 1 1 13 3996 1 1 6 LEU CD2 C 3.733 4.407 -5.432 1.00 . A A . 6 LEU CD2 1 1 13 3997 1 1 6 LEU CG C 2.405 3.650 -5.365 1.00 . A A . 6 LEU CG 1 1 13 3998 1 1 6 LEU H H -0.277 3.613 -7.241 1.00 . A A . 6 LEU H 1 1 13 3999 1 1 6 LEU HA H 0.166 3.057 -4.511 1.00 . A A . 6 LEU HA 1 1 13 4000 1 1 6 LEU HB2 H 1.197 5.066 -6.441 1.00 . A A . 6 LEU HB2 1 1 13 4001 1 1 6 LEU HB3 H 1.409 5.440 -4.731 1.00 . A A . 6 LEU HB3 1 1 13 4002 1 1 6 LEU HD11 H 3.021 1.857 -6.371 1.00 . A A . 6 LEU HD11 1 1 13 4003 1 1 6 LEU HD12 H 2.562 3.172 -7.453 1.00 . A A . 6 LEU HD12 1 1 13 4004 1 1 6 LEU HD13 H 1.320 2.263 -6.593 1.00 . A A . 6 LEU HD13 1 1 13 4005 1 1 6 LEU HD21 H 3.739 5.048 -6.302 1.00 . A A . 6 LEU HD21 1 1 13 4006 1 1 6 LEU HD22 H 4.546 3.699 -5.501 1.00 . A A . 6 LEU HD22 1 1 13 4007 1 1 6 LEU HD23 H 3.852 5.007 -4.542 1.00 . A A . 6 LEU HD23 1 1 13 4008 1 1 6 LEU HG H 2.343 3.109 -4.434 1.00 . A A . 6 LEU HG 1 1 13 4009 1 1 6 LEU N N -0.725 3.473 -6.380 1.00 . A A . 6 LEU N 1 1 13 4010 1 1 6 LEU O O -0.716 5.135 -3.149 1.00 . A A . 6 LEU O 1 1 13 4011 1 1 7 MET C C -3.964 5.548 -3.334 1.00 . A A . 7 MET C 1 1 13 4012 1 1 7 MET CA C -2.905 6.329 -4.128 1.00 . A A . 7 MET CA 1 1 13 4013 1 1 7 MET CB C -3.597 7.288 -5.104 1.00 . A A . 7 MET CB 1 1 13 4014 1 1 7 MET CE C -5.684 9.448 -6.488 1.00 . A A . 7 MET CE 1 1 13 4015 1 1 7 MET CG C -4.697 8.063 -4.372 1.00 . A A . 7 MET CG 1 1 13 4016 1 1 7 MET H H -2.219 5.194 -5.824 1.00 . A A . 7 MET H 1 1 13 4017 1 1 7 MET HA H -2.300 6.903 -3.440 1.00 . A A . 7 MET HA 1 1 13 4018 1 1 7 MET HB2 H -2.871 7.983 -5.500 1.00 . A A . 7 MET HB2 1 1 13 4019 1 1 7 MET HB3 H -4.035 6.726 -5.915 1.00 . A A . 7 MET HB3 1 1 13 4020 1 1 7 MET HE1 H -5.111 8.808 -7.144 1.00 . A A . 7 MET HE1 1 1 13 4021 1 1 7 MET HE2 H -5.890 10.380 -6.990 1.00 . A A . 7 MET HE2 1 1 13 4022 1 1 7 MET HE3 H -6.618 8.966 -6.232 1.00 . A A . 7 MET HE3 1 1 13 4023 1 1 7 MET HG2 H -5.651 7.592 -4.556 1.00 . A A . 7 MET HG2 1 1 13 4024 1 1 7 MET HG3 H -4.493 8.063 -3.312 1.00 . A A . 7 MET HG3 1 1 13 4025 1 1 7 MET N N -2.021 5.396 -4.891 1.00 . A A . 7 MET N 1 1 13 4026 1 1 7 MET O O -4.702 6.116 -2.555 1.00 . A A . 7 MET O 1 1 13 4027 1 1 7 MET SD S -4.738 9.767 -4.979 1.00 . A A . 7 MET SD 1 1 13 4028 1 1 8 ASP C C -4.800 3.595 -1.258 1.00 . A A . 8 ASP C 1 1 13 4029 1 1 8 ASP CA C -5.066 3.467 -2.762 1.00 . A A . 8 ASP CA 1 1 13 4030 1 1 8 ASP CB C -4.984 1.989 -3.164 1.00 . A A . 8 ASP CB 1 1 13 4031 1 1 8 ASP CG C -6.372 1.353 -3.056 1.00 . A A . 8 ASP CG 1 1 13 4032 1 1 8 ASP H H -3.449 3.811 -4.146 1.00 . A A . 8 ASP H 1 1 13 4033 1 1 8 ASP HA H -6.052 3.845 -2.984 1.00 . A A . 8 ASP HA 1 1 13 4034 1 1 8 ASP HB2 H -4.632 1.908 -4.180 1.00 . A A . 8 ASP HB2 1 1 13 4035 1 1 8 ASP HB3 H -4.303 1.473 -2.505 1.00 . A A . 8 ASP HB3 1 1 13 4036 1 1 8 ASP N N -4.048 4.257 -3.517 1.00 . A A . 8 ASP N 1 1 13 4037 1 1 8 ASP O O -4.148 4.517 -0.809 1.00 . A A . 8 ASP O 1 1 13 4038 1 1 8 ASP OD1 O -7.276 1.837 -3.716 1.00 . A A . 8 ASP OD1 1 1 13 4039 1 1 8 ASP OD2 O -6.506 0.394 -2.315 1.00 . A A . 8 ASP OD2 1 1 13 4040 1 1 9 LYS C C -4.382 1.454 1.478 1.00 . A A . 9 LYS C 1 1 13 4041 1 1 9 LYS CA C -5.079 2.740 0.998 1.00 . A A . 9 LYS CA 1 1 13 4042 1 1 9 LYS CB C -6.426 2.913 1.718 1.00 . A A . 9 LYS CB 1 1 13 4043 1 1 9 LYS CD C -6.594 5.302 0.912 1.00 . A A . 9 LYS CD 1 1 13 4044 1 1 9 LYS CE C -5.900 5.593 2.245 1.00 . A A . 9 LYS CE 1 1 13 4045 1 1 9 LYS CG C -7.300 3.941 0.974 1.00 . A A . 9 LYS CG 1 1 13 4046 1 1 9 LYS H H -5.822 1.941 -0.865 1.00 . A A . 9 LYS H 1 1 13 4047 1 1 9 LYS HA H -4.444 3.584 1.223 1.00 . A A . 9 LYS HA 1 1 13 4048 1 1 9 LYS HB2 H -6.938 1.963 1.750 1.00 . A A . 9 LYS HB2 1 1 13 4049 1 1 9 LYS HB3 H -6.251 3.259 2.726 1.00 . A A . 9 LYS HB3 1 1 13 4050 1 1 9 LYS HD2 H -5.863 5.294 0.119 1.00 . A A . 9 LYS HD2 1 1 13 4051 1 1 9 LYS HD3 H -7.326 6.075 0.716 1.00 . A A . 9 LYS HD3 1 1 13 4052 1 1 9 LYS HE2 H -5.115 4.870 2.408 1.00 . A A . 9 LYS HE2 1 1 13 4053 1 1 9 LYS HE3 H -5.476 6.587 2.221 1.00 . A A . 9 LYS HE3 1 1 13 4054 1 1 9 LYS HG2 H -7.487 3.590 -0.030 1.00 . A A . 9 LYS HG2 1 1 13 4055 1 1 9 LYS HG3 H -8.243 4.057 1.494 1.00 . A A . 9 LYS HG3 1 1 13 4056 1 1 9 LYS HZ1 H -7.544 6.313 3.301 1.00 . A A . 9 LYS HZ1 1 1 13 4057 1 1 9 LYS HZ2 H -6.395 5.518 4.266 1.00 . A A . 9 LYS HZ2 1 1 13 4058 1 1 9 LYS HZ3 H -7.434 4.621 3.265 1.00 . A A . 9 LYS HZ3 1 1 13 4059 1 1 9 LYS N N -5.301 2.675 -0.479 1.00 . A A . 9 LYS N 1 1 13 4060 1 1 9 LYS NZ N -6.893 5.505 3.353 1.00 . A A . 9 LYS NZ 1 1 13 4061 1 1 9 LYS O O -3.201 1.455 1.762 1.00 . A A . 9 LYS O 1 1 13 4062 1 1 10 GLU C C -3.509 -1.430 0.968 1.00 . A A . 10 GLU C 1 1 13 4063 1 1 10 GLU CA C -4.453 -0.904 2.042 1.00 . A A . 10 GLU CA 1 1 13 4064 1 1 10 GLU CB C -5.534 -1.948 2.309 1.00 . A A . 10 GLU CB 1 1 13 4065 1 1 10 GLU CD C -6.917 -3.010 4.092 1.00 . A A . 10 GLU CD 1 1 13 4066 1 1 10 GLU CG C -5.852 -1.953 3.795 1.00 . A A . 10 GLU CG 1 1 13 4067 1 1 10 GLU H H -6.039 0.362 1.357 1.00 . A A . 10 GLU H 1 1 13 4068 1 1 10 GLU HA H -3.900 -0.717 2.948 1.00 . A A . 10 GLU HA 1 1 13 4069 1 1 10 GLU HB2 H -6.423 -1.700 1.747 1.00 . A A . 10 GLU HB2 1 1 13 4070 1 1 10 GLU HB3 H -5.177 -2.923 2.014 1.00 . A A . 10 GLU HB3 1 1 13 4071 1 1 10 GLU HG2 H -4.952 -2.178 4.347 1.00 . A A . 10 GLU HG2 1 1 13 4072 1 1 10 GLU HG3 H -6.219 -0.980 4.081 1.00 . A A . 10 GLU HG3 1 1 13 4073 1 1 10 GLU N N -5.091 0.358 1.579 1.00 . A A . 10 GLU N 1 1 13 4074 1 1 10 GLU O O -2.494 -2.031 1.259 1.00 . A A . 10 GLU O 1 1 13 4075 1 1 10 GLU OE1 O -6.592 -4.184 4.031 1.00 . A A . 10 GLU OE1 1 1 13 4076 1 1 10 GLU OE2 O -8.040 -2.627 4.375 1.00 . A A . 10 GLU OE2 1 1 13 4077 1 1 11 CYS C C -1.702 -0.795 -1.388 1.00 . A A . 11 CYS C 1 1 13 4078 1 1 11 CYS CA C -2.942 -1.684 -1.355 1.00 . A A . 11 CYS CA 1 1 13 4079 1 1 11 CYS CB C -3.687 -1.600 -2.691 1.00 . A A . 11 CYS CB 1 1 13 4080 1 1 11 CYS H H -4.644 -0.706 -0.485 1.00 . A A . 11 CYS H 1 1 13 4081 1 1 11 CYS HA H -2.654 -2.704 -1.158 1.00 . A A . 11 CYS HA 1 1 13 4082 1 1 11 CYS HB2 H -4.600 -2.174 -2.629 1.00 . A A . 11 CYS HB2 1 1 13 4083 1 1 11 CYS HB3 H -3.924 -0.569 -2.905 1.00 . A A . 11 CYS HB3 1 1 13 4084 1 1 11 CYS N N -3.830 -1.204 -0.270 1.00 . A A . 11 CYS N 1 1 13 4085 1 1 11 CYS O O -0.721 -1.085 -2.043 1.00 . A A . 11 CYS O 1 1 13 4086 1 1 11 CYS SG S -2.646 -2.265 -4.010 1.00 . A A . 11 CYS SG 1 1 13 4087 1 1 12 VAL C C 0.434 0.755 0.391 1.00 . A A . 12 VAL C 1 1 13 4088 1 1 12 VAL CA C -0.606 1.236 -0.631 1.00 . A A . 12 VAL CA 1 1 13 4089 1 1 12 VAL CB C -1.146 2.610 -0.236 1.00 . A A . 12 VAL CB 1 1 13 4090 1 1 12 VAL CG1 C -0.014 3.497 0.253 1.00 . A A . 12 VAL CG1 1 1 13 4091 1 1 12 VAL CG2 C -1.814 3.254 -1.448 1.00 . A A . 12 VAL CG2 1 1 13 4092 1 1 12 VAL H H -2.562 0.503 -0.163 1.00 . A A . 12 VAL H 1 1 13 4093 1 1 12 VAL HA H -0.148 1.298 -1.604 1.00 . A A . 12 VAL HA 1 1 13 4094 1 1 12 VAL HB H -1.870 2.497 0.554 1.00 . A A . 12 VAL HB 1 1 13 4095 1 1 12 VAL HG11 H -0.213 4.518 -0.030 1.00 . A A . 12 VAL HG11 1 1 13 4096 1 1 12 VAL HG12 H 0.912 3.170 -0.191 1.00 . A A . 12 VAL HG12 1 1 13 4097 1 1 12 VAL HG13 H 0.053 3.426 1.329 1.00 . A A . 12 VAL HG13 1 1 13 4098 1 1 12 VAL HG21 H -1.122 3.261 -2.277 1.00 . A A . 12 VAL HG21 1 1 13 4099 1 1 12 VAL HG22 H -2.099 4.267 -1.207 1.00 . A A . 12 VAL HG22 1 1 13 4100 1 1 12 VAL HG23 H -2.692 2.686 -1.717 1.00 . A A . 12 VAL HG23 1 1 13 4101 1 1 12 VAL N N -1.752 0.296 -0.674 1.00 . A A . 12 VAL N 1 1 13 4102 1 1 12 VAL O O 1.619 0.955 0.217 1.00 . A A . 12 VAL O 1 1 13 4103 1 1 13 TYR C C 2.093 -1.153 1.804 1.00 . A A . 13 TYR C 1 1 13 4104 1 1 13 TYR CA C 0.978 -0.354 2.476 1.00 . A A . 13 TYR CA 1 1 13 4105 1 1 13 TYR CB C 0.251 -1.253 3.475 1.00 . A A . 13 TYR CB 1 1 13 4106 1 1 13 TYR CD1 C -0.905 0.892 4.128 1.00 . A A . 13 TYR CD1 1 1 13 4107 1 1 13 TYR CD2 C -2.013 -1.217 4.579 1.00 . A A . 13 TYR CD2 1 1 13 4108 1 1 13 TYR CE1 C -1.989 1.580 4.686 1.00 . A A . 13 TYR CE1 1 1 13 4109 1 1 13 TYR CE2 C -3.097 -0.528 5.138 1.00 . A A . 13 TYR CE2 1 1 13 4110 1 1 13 TYR CG C -0.917 -0.507 4.074 1.00 . A A . 13 TYR CG 1 1 13 4111 1 1 13 TYR CZ C -3.085 0.870 5.191 1.00 . A A . 13 TYR CZ 1 1 13 4112 1 1 13 TYR H H -0.950 -0.025 1.582 1.00 . A A . 13 TYR H 1 1 13 4113 1 1 13 TYR HA H 1.402 0.491 2.996 1.00 . A A . 13 TYR HA 1 1 13 4114 1 1 13 TYR HB2 H -0.108 -2.136 2.967 1.00 . A A . 13 TYR HB2 1 1 13 4115 1 1 13 TYR HB3 H 0.932 -1.541 4.259 1.00 . A A . 13 TYR HB3 1 1 13 4116 1 1 13 TYR HD1 H -0.061 1.441 3.738 1.00 . A A . 13 TYR HD1 1 1 13 4117 1 1 13 TYR HD2 H -2.023 -2.296 4.537 1.00 . A A . 13 TYR HD2 1 1 13 4118 1 1 13 TYR HE1 H -1.981 2.660 4.727 1.00 . A A . 13 TYR HE1 1 1 13 4119 1 1 13 TYR HE2 H -3.941 -1.076 5.527 1.00 . A A . 13 TYR HE2 1 1 13 4120 1 1 13 TYR HH H -4.247 1.263 6.653 1.00 . A A . 13 TYR HH 1 1 13 4121 1 1 13 TYR N N 0.008 0.128 1.452 1.00 . A A . 13 TYR N 1 1 13 4122 1 1 13 TYR O O 3.186 -1.271 2.324 1.00 . A A . 13 TYR O 1 1 13 4123 1 1 13 TYR OH O -4.153 1.549 5.742 1.00 . A A . 13 TYR OH 1 1 13 4124 1 1 14 PHE C C 4.056 -1.636 -0.410 1.00 . A A . 14 PHE C 1 1 13 4125 1 1 14 PHE CA C 2.866 -2.522 -0.034 1.00 . A A . 14 PHE CA 1 1 13 4126 1 1 14 PHE CB C 2.258 -3.147 -1.287 1.00 . A A . 14 PHE CB 1 1 13 4127 1 1 14 PHE CD1 C 0.770 -4.317 0.380 1.00 . A A . 14 PHE CD1 1 1 13 4128 1 1 14 PHE CD2 C -0.068 -3.935 -1.864 1.00 . A A . 14 PHE CD2 1 1 13 4129 1 1 14 PHE CE1 C -0.435 -4.935 0.727 1.00 . A A . 14 PHE CE1 1 1 13 4130 1 1 14 PHE CE2 C -1.275 -4.554 -1.515 1.00 . A A . 14 PHE CE2 1 1 13 4131 1 1 14 PHE CG C 0.955 -3.816 -0.917 1.00 . A A . 14 PHE CG 1 1 13 4132 1 1 14 PHE CZ C -1.458 -5.053 -0.219 1.00 . A A . 14 PHE CZ 1 1 13 4133 1 1 14 PHE H H 0.934 -1.619 0.264 1.00 . A A . 14 PHE H 1 1 13 4134 1 1 14 PHE HA H 3.201 -3.306 0.629 1.00 . A A . 14 PHE HA 1 1 13 4135 1 1 14 PHE HB2 H 2.074 -2.378 -2.023 1.00 . A A . 14 PHE HB2 1 1 13 4136 1 1 14 PHE HB3 H 2.937 -3.882 -1.693 1.00 . A A . 14 PHE HB3 1 1 13 4137 1 1 14 PHE HD1 H 1.560 -4.225 1.110 1.00 . A A . 14 PHE HD1 1 1 13 4138 1 1 14 PHE HD2 H 0.073 -3.550 -2.863 1.00 . A A . 14 PHE HD2 1 1 13 4139 1 1 14 PHE HE1 H -0.576 -5.320 1.726 1.00 . A A . 14 PHE HE1 1 1 13 4140 1 1 14 PHE HE2 H -2.065 -4.646 -2.246 1.00 . A A . 14 PHE HE2 1 1 13 4141 1 1 14 PHE HZ H -2.389 -5.530 0.049 1.00 . A A . 14 PHE HZ 1 1 13 4142 1 1 14 PHE N N 1.826 -1.715 0.661 1.00 . A A . 14 PHE N 1 1 13 4143 1 1 14 PHE O O 5.183 -2.087 -0.460 1.00 . A A . 14 PHE O 1 1 13 4144 1 1 15 CYS C C 5.658 1.036 0.228 1.00 . A A . 15 CYS C 1 1 13 4145 1 1 15 CYS CA C 4.949 0.528 -1.039 1.00 . A A . 15 CYS CA 1 1 13 4146 1 1 15 CYS CB C 4.405 1.723 -1.827 1.00 . A A . 15 CYS CB 1 1 13 4147 1 1 15 CYS H H 2.909 -0.032 -0.629 1.00 . A A . 15 CYS H 1 1 13 4148 1 1 15 CYS HA H 5.657 -0.010 -1.653 1.00 . A A . 15 CYS HA 1 1 13 4149 1 1 15 CYS HB2 H 3.350 1.584 -2.008 1.00 . A A . 15 CYS HB2 1 1 13 4150 1 1 15 CYS HB3 H 4.558 2.628 -1.259 1.00 . A A . 15 CYS HB3 1 1 13 4151 1 1 15 CYS N N 3.822 -0.379 -0.672 1.00 . A A . 15 CYS N 1 1 13 4152 1 1 15 CYS O O 6.312 2.059 0.206 1.00 . A A . 15 CYS O 1 1 13 4153 1 1 15 CYS SG S 5.278 1.849 -3.407 1.00 . A A . 15 CYS SG 1 1 13 4154 1 1 16 HIS C C 5.411 1.902 3.239 1.00 . A A . 16 HIS C 1 1 13 4155 1 1 16 HIS CA C 6.214 0.773 2.582 1.00 . A A . 16 HIS CA 1 1 13 4156 1 1 16 HIS CB C 7.622 1.278 2.256 1.00 . A A . 16 HIS CB 1 1 13 4157 1 1 16 HIS CD2 C 8.973 1.950 4.408 1.00 . A A . 16 HIS CD2 1 1 13 4158 1 1 16 HIS CE1 C 9.800 0.004 4.881 1.00 . A A . 16 HIS CE1 1 1 13 4159 1 1 16 HIS CG C 8.515 1.080 3.450 1.00 . A A . 16 HIS CG 1 1 13 4160 1 1 16 HIS H H 5.012 -0.493 1.326 1.00 . A A . 16 HIS H 1 1 13 4161 1 1 16 HIS HA H 6.287 -0.062 3.264 1.00 . A A . 16 HIS HA 1 1 13 4162 1 1 16 HIS HB2 H 8.016 0.727 1.415 1.00 . A A . 16 HIS HB2 1 1 13 4163 1 1 16 HIS HB3 H 7.580 2.329 2.009 1.00 . A A . 16 HIS HB3 1 1 13 4164 1 1 16 HIS HD1 H 8.920 -0.993 3.280 1.00 . A A . 16 HIS HD1 1 1 13 4165 1 1 16 HIS HD2 H 8.739 3.004 4.453 1.00 . A A . 16 HIS HD2 1 1 13 4166 1 1 16 HIS HE1 H 10.343 -0.794 5.365 1.00 . A A . 16 HIS HE1 1 1 13 4167 1 1 16 HIS N N 5.540 0.330 1.326 1.00 . A A . 16 HIS N 1 1 13 4168 1 1 16 HIS ND1 N 9.056 -0.155 3.771 1.00 . A A . 16 HIS ND1 1 1 13 4169 1 1 16 HIS NE2 N 9.784 1.268 5.310 1.00 . A A . 16 HIS NE2 1 1 13 4170 1 1 16 HIS O O 5.968 2.866 3.724 1.00 . A A . 16 HIS O 1 1 13 4171 1 1 17 LEU C C 2.678 2.378 5.181 1.00 . A A . 17 LEU C 1 1 13 4172 1 1 17 LEU CA C 3.284 2.867 3.860 1.00 . A A . 17 LEU CA 1 1 13 4173 1 1 17 LEU CB C 2.167 3.215 2.890 1.00 . A A . 17 LEU CB 1 1 13 4174 1 1 17 LEU CD1 C 3.837 4.869 2.006 1.00 . A A . 17 LEU CD1 1 1 13 4175 1 1 17 LEU CD2 C 3.356 2.774 0.735 1.00 . A A . 17 LEU CD2 1 1 13 4176 1 1 17 LEU CG C 2.750 3.860 1.626 1.00 . A A . 17 LEU CG 1 1 13 4177 1 1 17 LEU H H 3.666 1.031 2.848 1.00 . A A . 17 LEU H 1 1 13 4178 1 1 17 LEU HA H 3.892 3.740 4.042 1.00 . A A . 17 LEU HA 1 1 13 4179 1 1 17 LEU HB2 H 1.635 2.317 2.624 1.00 . A A . 17 LEU HB2 1 1 13 4180 1 1 17 LEU HB3 H 1.495 3.893 3.359 1.00 . A A . 17 LEU HB3 1 1 13 4181 1 1 17 LEU HD11 H 3.951 5.591 1.210 1.00 . A A . 17 LEU HD11 1 1 13 4182 1 1 17 LEU HD12 H 4.772 4.351 2.159 1.00 . A A . 17 LEU HD12 1 1 13 4183 1 1 17 LEU HD13 H 3.554 5.378 2.916 1.00 . A A . 17 LEU HD13 1 1 13 4184 1 1 17 LEU HD21 H 2.841 2.759 -0.214 1.00 . A A . 17 LEU HD21 1 1 13 4185 1 1 17 LEU HD22 H 3.251 1.814 1.216 1.00 . A A . 17 LEU HD22 1 1 13 4186 1 1 17 LEU HD23 H 4.403 2.984 0.574 1.00 . A A . 17 LEU HD23 1 1 13 4187 1 1 17 LEU HG H 1.965 4.370 1.089 1.00 . A A . 17 LEU HG 1 1 13 4188 1 1 17 LEU N N 4.108 1.800 3.251 1.00 . A A . 17 LEU N 1 1 13 4189 1 1 17 LEU O O 1.476 2.283 5.325 1.00 . A A . 17 LEU O 1 1 13 4190 1 1 18 ASP C C 1.817 0.642 7.257 1.00 . A A . 18 ASP C 1 1 13 4191 1 1 18 ASP CA C 2.990 1.607 7.464 1.00 . A A . 18 ASP CA 1 1 13 4192 1 1 18 ASP CB C 2.516 2.813 8.278 1.00 . A A . 18 ASP CB 1 1 13 4193 1 1 18 ASP CG C 1.725 2.331 9.496 1.00 . A A . 18 ASP CG 1 1 13 4194 1 1 18 ASP H H 4.465 2.175 6.005 1.00 . A A . 18 ASP H 1 1 13 4195 1 1 18 ASP HA H 3.783 1.105 8.000 1.00 . A A . 18 ASP HA 1 1 13 4196 1 1 18 ASP HB2 H 3.374 3.383 8.608 1.00 . A A . 18 ASP HB2 1 1 13 4197 1 1 18 ASP HB3 H 1.885 3.436 7.664 1.00 . A A . 18 ASP HB3 1 1 13 4198 1 1 18 ASP N N 3.504 2.080 6.145 1.00 . A A . 18 ASP N 1 1 13 4199 1 1 18 ASP O O 0.671 1.006 7.423 1.00 . A A . 18 ASP O 1 1 13 4200 1 1 18 ASP OD1 O 2.348 1.878 10.441 1.00 . A A . 18 ASP OD1 1 1 13 4201 1 1 18 ASP OD2 O 0.509 2.424 9.462 1.00 . A A . 18 ASP OD2 1 1 13 4202 1 1 19 ILE C C 0.239 -1.772 8.015 1.00 . A A . 19 ILE C 1 1 13 4203 1 1 19 ILE CA C 0.983 -1.558 6.691 1.00 . A A . 19 ILE CA 1 1 13 4204 1 1 19 ILE CB C 1.561 -2.893 6.188 1.00 . A A . 19 ILE CB 1 1 13 4205 1 1 19 ILE CD1 C 2.492 -5.115 6.867 1.00 . A A . 19 ILE CD1 1 1 13 4206 1 1 19 ILE CG1 C 2.045 -3.743 7.370 1.00 . A A . 19 ILE CG1 1 1 13 4207 1 1 19 ILE CG2 C 2.742 -2.619 5.255 1.00 . A A . 19 ILE CG2 1 1 13 4208 1 1 19 ILE H H 3.017 -0.870 6.770 1.00 . A A . 19 ILE H 1 1 13 4209 1 1 19 ILE HA H 0.295 -1.165 5.958 1.00 . A A . 19 ILE HA 1 1 13 4210 1 1 19 ILE HB H 0.800 -3.429 5.646 1.00 . A A . 19 ILE HB 1 1 13 4211 1 1 19 ILE HD11 H 3.224 -4.989 6.084 1.00 . A A . 19 ILE HD11 1 1 13 4212 1 1 19 ILE HD12 H 1.638 -5.651 6.482 1.00 . A A . 19 ILE HD12 1 1 13 4213 1 1 19 ILE HD13 H 2.929 -5.671 7.684 1.00 . A A . 19 ILE HD13 1 1 13 4214 1 1 19 ILE HG12 H 2.873 -3.248 7.854 1.00 . A A . 19 ILE HG12 1 1 13 4215 1 1 19 ILE HG13 H 1.239 -3.870 8.075 1.00 . A A . 19 ILE HG13 1 1 13 4216 1 1 19 ILE HG21 H 2.643 -3.223 4.365 1.00 . A A . 19 ILE HG21 1 1 13 4217 1 1 19 ILE HG22 H 3.664 -2.868 5.760 1.00 . A A . 19 ILE HG22 1 1 13 4218 1 1 19 ILE HG23 H 2.750 -1.574 4.983 1.00 . A A . 19 ILE HG23 1 1 13 4219 1 1 19 ILE N N 2.090 -0.586 6.900 1.00 . A A . 19 ILE N 1 1 13 4220 1 1 19 ILE O O 0.837 -2.074 9.028 1.00 . A A . 19 ILE O 1 1 13 4221 1 1 20 ILE C C -2.765 -3.009 9.137 1.00 . A A . 20 ILE C 1 1 13 4222 1 1 20 ILE CA C -1.809 -1.826 9.290 1.00 . A A . 20 ILE CA 1 1 13 4223 1 1 20 ILE CB C -2.602 -0.566 9.629 1.00 . A A . 20 ILE CB 1 1 13 4224 1 1 20 ILE CD1 C -0.702 -0.021 11.162 1.00 . A A . 20 ILE CD1 1 1 13 4225 1 1 20 ILE CG1 C -1.640 0.531 10.087 1.00 . A A . 20 ILE CG1 1 1 13 4226 1 1 20 ILE CG2 C -3.595 -0.870 10.753 1.00 . A A . 20 ILE CG2 1 1 13 4227 1 1 20 ILE H H -1.530 -1.369 7.194 1.00 . A A . 20 ILE H 1 1 13 4228 1 1 20 ILE HA H -1.113 -2.041 10.088 1.00 . A A . 20 ILE HA 1 1 13 4229 1 1 20 ILE HB H -3.140 -0.232 8.753 1.00 . A A . 20 ILE HB 1 1 13 4230 1 1 20 ILE HD11 H 0.116 -0.547 10.692 1.00 . A A . 20 ILE HD11 1 1 13 4231 1 1 20 ILE HD12 H -1.247 -0.700 11.801 1.00 . A A . 20 ILE HD12 1 1 13 4232 1 1 20 ILE HD13 H -0.312 0.794 11.754 1.00 . A A . 20 ILE HD13 1 1 13 4233 1 1 20 ILE HG12 H -1.058 0.876 9.244 1.00 . A A . 20 ILE HG12 1 1 13 4234 1 1 20 ILE HG13 H -2.204 1.352 10.494 1.00 . A A . 20 ILE HG13 1 1 13 4235 1 1 20 ILE HG21 H -3.842 0.044 11.272 1.00 . A A . 20 ILE HG21 1 1 13 4236 1 1 20 ILE HG22 H -3.151 -1.569 11.446 1.00 . A A . 20 ILE HG22 1 1 13 4237 1 1 20 ILE HG23 H -4.493 -1.300 10.333 1.00 . A A . 20 ILE HG23 1 1 13 4238 1 1 20 ILE N N -1.055 -1.620 8.020 1.00 . A A . 20 ILE N 1 1 13 4239 1 1 20 ILE O O -3.951 -2.842 8.932 1.00 . A A . 20 ILE O 1 1 13 4240 1 1 21 TRP C C -4.281 -5.311 10.111 1.00 . A A . 21 TRP C 1 1 13 4241 1 1 21 TRP CA C -3.137 -5.399 9.099 1.00 . A A . 21 TRP CA 1 1 13 4242 1 1 21 TRP CB C -2.354 -6.702 9.335 1.00 . A A . 21 TRP CB 1 1 13 4243 1 1 21 TRP CD1 C -0.018 -7.228 10.135 1.00 . A A . 21 TRP CD1 1 1 13 4244 1 1 21 TRP CD2 C -0.923 -5.509 11.272 1.00 . A A . 21 TRP CD2 1 1 13 4245 1 1 21 TRP CE2 C 0.374 -5.713 11.801 1.00 . A A . 21 TRP CE2 1 1 13 4246 1 1 21 TRP CE3 C -1.704 -4.477 11.821 1.00 . A A . 21 TRP CE3 1 1 13 4247 1 1 21 TRP CG C -1.148 -6.486 10.206 1.00 . A A . 21 TRP CG 1 1 13 4248 1 1 21 TRP CH2 C 0.086 -3.903 13.370 1.00 . A A . 21 TRP CH2 1 1 13 4249 1 1 21 TRP CZ2 C 0.876 -4.923 12.835 1.00 . A A . 21 TRP CZ2 1 1 13 4250 1 1 21 TRP CZ3 C -1.202 -3.680 12.863 1.00 . A A . 21 TRP CZ3 1 1 13 4251 1 1 21 TRP H H -1.296 -4.310 9.400 1.00 . A A . 21 TRP H 1 1 13 4252 1 1 21 TRP HA H -3.553 -5.414 8.101 1.00 . A A . 21 TRP HA 1 1 13 4253 1 1 21 TRP HB2 H -3.003 -7.421 9.811 1.00 . A A . 21 TRP HB2 1 1 13 4254 1 1 21 TRP HB3 H -2.035 -7.098 8.381 1.00 . A A . 21 TRP HB3 1 1 13 4255 1 1 21 TRP HD1 H 0.151 -8.047 9.452 1.00 . A A . 21 TRP HD1 1 1 13 4256 1 1 21 TRP HE1 H 1.780 -7.136 11.226 1.00 . A A . 21 TRP HE1 1 1 13 4257 1 1 21 TRP HE3 H -2.692 -4.294 11.438 1.00 . A A . 21 TRP HE3 1 1 13 4258 1 1 21 TRP HH2 H 0.467 -3.287 14.171 1.00 . A A . 21 TRP HH2 1 1 13 4259 1 1 21 TRP HZ2 H 1.869 -5.100 13.220 1.00 . A A . 21 TRP HZ2 1 1 13 4260 1 1 21 TRP HZ3 H -1.812 -2.891 13.277 1.00 . A A . 21 TRP HZ3 1 1 13 4261 1 1 21 TRP N N -2.255 -4.205 9.236 1.00 . A A . 21 TRP N 1 1 13 4262 1 1 21 TRP NE1 N 0.884 -6.770 11.076 1.00 . A A . 21 TRP NE1 1 1 13 4263 1 1 21 TRP O O -4.179 -5.946 11.147 1.00 . A A . 21 TRP O 1 1 13 4264 1 1 21 TRP OXT O -5.240 -4.610 9.831 1.00 . A A . 21 TRP OXT 1 1 14 4265 1 1 1 CYS C C 5.602 -1.355 -5.508 1.00 . A A . 1 CYS C 1 1 14 4266 1 1 1 CYS CA C 6.263 -0.574 -4.369 1.00 . A A . 1 CYS CA 1 1 14 4267 1 1 1 CYS CB C 6.028 0.924 -4.577 1.00 . A A . 1 CYS CB 1 1 14 4268 1 1 1 CYS H1 H 8.103 -0.762 -5.325 1.00 . A A . 1 CYS H1 1 1 14 4269 1 1 1 CYS H2 H 7.893 -1.818 -4.011 1.00 . A A . 1 CYS H2 1 1 14 4270 1 1 1 CYS H3 H 8.206 -0.170 -3.739 1.00 . A A . 1 CYS H3 1 1 14 4271 1 1 1 CYS HA H 5.832 -0.878 -3.427 1.00 . A A . 1 CYS HA 1 1 14 4272 1 1 1 CYS HB2 H 6.352 1.464 -3.699 1.00 . A A . 1 CYS HB2 1 1 14 4273 1 1 1 CYS HB3 H 6.592 1.261 -5.434 1.00 . A A . 1 CYS HB3 1 1 14 4274 1 1 1 CYS N N 7.727 -0.852 -4.361 1.00 . A A . 1 CYS N 1 1 14 4275 1 1 1 CYS O O 5.983 -1.238 -6.655 1.00 . A A . 1 CYS O 1 1 14 4276 1 1 1 CYS SG S 4.266 1.228 -4.856 1.00 . A A . 1 CYS SG 1 1 14 4277 1 1 2 SER C C 2.422 -2.926 -6.017 1.00 . A A . 2 SER C 1 1 14 4278 1 1 2 SER CA C 3.932 -2.934 -6.263 1.00 . A A . 2 SER CA 1 1 14 4279 1 1 2 SER CB C 4.444 -4.374 -6.243 1.00 . A A . 2 SER CB 1 1 14 4280 1 1 2 SER H H 4.322 -2.231 -4.271 1.00 . A A . 2 SER H 1 1 14 4281 1 1 2 SER HA H 4.142 -2.491 -7.222 1.00 . A A . 2 SER HA 1 1 14 4282 1 1 2 SER HB2 H 4.999 -4.547 -5.336 1.00 . A A . 2 SER HB2 1 1 14 4283 1 1 2 SER HB3 H 3.603 -5.054 -6.283 1.00 . A A . 2 SER HB3 1 1 14 4284 1 1 2 SER HG H 4.967 -4.053 -8.089 1.00 . A A . 2 SER HG 1 1 14 4285 1 1 2 SER N N 4.615 -2.150 -5.199 1.00 . A A . 2 SER N 1 1 14 4286 1 1 2 SER O O 1.865 -3.865 -5.483 1.00 . A A . 2 SER O 1 1 14 4287 1 1 2 SER OG O 5.297 -4.585 -7.361 1.00 . A A . 2 SER OG 1 1 14 4288 1 1 3 CYS C C -0.370 -1.180 -7.437 1.00 . A A . 3 CYS C 1 1 14 4289 1 1 3 CYS CA C 0.280 -1.807 -6.198 1.00 . A A . 3 CYS CA 1 1 14 4290 1 1 3 CYS CB C -0.019 -0.953 -4.956 1.00 . A A . 3 CYS CB 1 1 14 4291 1 1 3 CYS H H 2.223 -1.129 -6.836 1.00 . A A . 3 CYS H 1 1 14 4292 1 1 3 CYS HA H -0.105 -2.806 -6.051 1.00 . A A . 3 CYS HA 1 1 14 4293 1 1 3 CYS HB2 H 0.184 -1.531 -4.068 1.00 . A A . 3 CYS HB2 1 1 14 4294 1 1 3 CYS HB3 H 0.609 -0.075 -4.965 1.00 . A A . 3 CYS HB3 1 1 14 4295 1 1 3 CYS N N 1.754 -1.874 -6.405 1.00 . A A . 3 CYS N 1 1 14 4296 1 1 3 CYS O O 0.284 -0.527 -8.227 1.00 . A A . 3 CYS O 1 1 14 4297 1 1 3 CYS SG S -1.759 -0.449 -4.944 1.00 . A A . 3 CYS SG 1 1 14 4298 1 1 4 SER C C -2.129 0.744 -8.779 1.00 . A A . 4 SER C 1 1 14 4299 1 1 4 SER CA C -2.334 -0.769 -8.795 1.00 . A A . 4 SER CA 1 1 14 4300 1 1 4 SER CB C -3.828 -1.084 -8.736 1.00 . A A . 4 SER CB 1 1 14 4301 1 1 4 SER H H -2.165 -1.887 -6.962 1.00 . A A . 4 SER H 1 1 14 4302 1 1 4 SER HA H -1.912 -1.179 -9.697 1.00 . A A . 4 SER HA 1 1 14 4303 1 1 4 SER HB2 H -4.002 -2.086 -9.093 1.00 . A A . 4 SER HB2 1 1 14 4304 1 1 4 SER HB3 H -4.173 -1.005 -7.714 1.00 . A A . 4 SER HB3 1 1 14 4305 1 1 4 SER HG H -4.656 -0.575 -10.421 1.00 . A A . 4 SER HG 1 1 14 4306 1 1 4 SER N N -1.652 -1.364 -7.612 1.00 . A A . 4 SER N 1 1 14 4307 1 1 4 SER O O -1.605 1.323 -9.709 1.00 . A A . 4 SER O 1 1 14 4308 1 1 4 SER OG O -4.535 -0.166 -9.562 1.00 . A A . 4 SER OG 1 1 14 4309 1 1 5 SER C C -1.718 3.194 -6.264 1.00 . A A . 5 SER C 1 1 14 4310 1 1 5 SER CA C -2.353 2.860 -7.624 1.00 . A A . 5 SER CA 1 1 14 4311 1 1 5 SER CB C -3.717 3.545 -7.755 1.00 . A A . 5 SER CB 1 1 14 4312 1 1 5 SER H H -2.940 0.892 -6.979 1.00 . A A . 5 SER H 1 1 14 4313 1 1 5 SER HA H -1.705 3.188 -8.426 1.00 . A A . 5 SER HA 1 1 14 4314 1 1 5 SER HB2 H -3.723 4.171 -8.632 1.00 . A A . 5 SER HB2 1 1 14 4315 1 1 5 SER HB3 H -4.488 2.792 -7.852 1.00 . A A . 5 SER HB3 1 1 14 4316 1 1 5 SER HG H -4.912 4.450 -6.513 1.00 . A A . 5 SER HG 1 1 14 4317 1 1 5 SER N N -2.530 1.384 -7.719 1.00 . A A . 5 SER N 1 1 14 4318 1 1 5 SER O O -2.269 2.893 -5.224 1.00 . A A . 5 SER O 1 1 14 4319 1 1 5 SER OG O -3.963 4.349 -6.608 1.00 . A A . 5 SER OG 1 1 14 4320 1 1 6 LEU C C -0.756 5.002 -4.071 1.00 . A A . 6 LEU C 1 1 14 4321 1 1 6 LEU CA C 0.128 4.112 -4.968 1.00 . A A . 6 LEU CA 1 1 14 4322 1 1 6 LEU CB C 1.452 4.834 -5.247 1.00 . A A . 6 LEU CB 1 1 14 4323 1 1 6 LEU CD1 C 2.470 2.932 -6.517 1.00 . A A . 6 LEU CD1 1 1 14 4324 1 1 6 LEU CD2 C 3.933 4.538 -5.282 1.00 . A A . 6 LEU CD2 1 1 14 4325 1 1 6 LEU CG C 2.587 3.809 -5.268 1.00 . A A . 6 LEU CG 1 1 14 4326 1 1 6 LEU H H -0.113 4.004 -7.111 1.00 . A A . 6 LEU H 1 1 14 4327 1 1 6 LEU HA H 0.344 3.190 -4.447 1.00 . A A . 6 LEU HA 1 1 14 4328 1 1 6 LEU HB2 H 1.403 5.341 -6.200 1.00 . A A . 6 LEU HB2 1 1 14 4329 1 1 6 LEU HB3 H 1.639 5.556 -4.466 1.00 . A A . 6 LEU HB3 1 1 14 4330 1 1 6 LEU HD11 H 3.458 2.672 -6.869 1.00 . A A . 6 LEU HD11 1 1 14 4331 1 1 6 LEU HD12 H 1.943 3.473 -7.289 1.00 . A A . 6 LEU HD12 1 1 14 4332 1 1 6 LEU HD13 H 1.925 2.031 -6.274 1.00 . A A . 6 LEU HD13 1 1 14 4333 1 1 6 LEU HD21 H 3.850 5.436 -5.877 1.00 . A A . 6 LEU HD21 1 1 14 4334 1 1 6 LEU HD22 H 4.687 3.893 -5.707 1.00 . A A . 6 LEU HD22 1 1 14 4335 1 1 6 LEU HD23 H 4.210 4.800 -4.272 1.00 . A A . 6 LEU HD23 1 1 14 4336 1 1 6 LEU HG H 2.522 3.186 -4.389 1.00 . A A . 6 LEU HG 1 1 14 4337 1 1 6 LEU N N -0.552 3.789 -6.262 1.00 . A A . 6 LEU N 1 1 14 4338 1 1 6 LEU O O -0.487 5.151 -2.895 1.00 . A A . 6 LEU O 1 1 14 4339 1 1 7 MET C C -3.744 5.668 -3.051 1.00 . A A . 7 MET C 1 1 14 4340 1 1 7 MET CA C -2.647 6.487 -3.749 1.00 . A A . 7 MET CA 1 1 14 4341 1 1 7 MET CB C -3.292 7.565 -4.627 1.00 . A A . 7 MET CB 1 1 14 4342 1 1 7 MET CE C -5.682 10.719 -3.484 1.00 . A A . 7 MET CE 1 1 14 4343 1 1 7 MET CG C -4.118 8.518 -3.759 1.00 . A A . 7 MET CG 1 1 14 4344 1 1 7 MET H H -1.998 5.499 -5.544 1.00 . A A . 7 MET H 1 1 14 4345 1 1 7 MET HA H -2.029 6.961 -3.000 1.00 . A A . 7 MET HA 1 1 14 4346 1 1 7 MET HB2 H -2.519 8.122 -5.136 1.00 . A A . 7 MET HB2 1 1 14 4347 1 1 7 MET HB3 H -3.936 7.099 -5.357 1.00 . A A . 7 MET HB3 1 1 14 4348 1 1 7 MET HE1 H -5.136 11.612 -3.209 1.00 . A A . 7 MET HE1 1 1 14 4349 1 1 7 MET HE2 H -5.778 10.080 -2.622 1.00 . A A . 7 MET HE2 1 1 14 4350 1 1 7 MET HE3 H -6.666 10.989 -3.841 1.00 . A A . 7 MET HE3 1 1 14 4351 1 1 7 MET HG2 H -4.931 7.976 -3.299 1.00 . A A . 7 MET HG2 1 1 14 4352 1 1 7 MET HG3 H -3.488 8.942 -2.992 1.00 . A A . 7 MET HG3 1 1 14 4353 1 1 7 MET N N -1.792 5.607 -4.598 1.00 . A A . 7 MET N 1 1 14 4354 1 1 7 MET O O -4.494 6.187 -2.248 1.00 . A A . 7 MET O 1 1 14 4355 1 1 7 MET SD S -4.786 9.846 -4.791 1.00 . A A . 7 MET SD 1 1 14 4356 1 1 8 ASP C C -4.730 3.634 -1.164 1.00 . A A . 8 ASP C 1 1 14 4357 1 1 8 ASP CA C -4.905 3.571 -2.684 1.00 . A A . 8 ASP CA 1 1 14 4358 1 1 8 ASP CB C -4.791 2.113 -3.146 1.00 . A A . 8 ASP CB 1 1 14 4359 1 1 8 ASP CG C -6.180 1.469 -3.147 1.00 . A A . 8 ASP CG 1 1 14 4360 1 1 8 ASP H H -3.242 3.992 -3.991 1.00 . A A . 8 ASP H 1 1 14 4361 1 1 8 ASP HA H -5.878 3.957 -2.948 1.00 . A A . 8 ASP HA 1 1 14 4362 1 1 8 ASP HB2 H -4.380 2.078 -4.143 1.00 . A A . 8 ASP HB2 1 1 14 4363 1 1 8 ASP HB3 H -4.147 1.570 -2.471 1.00 . A A . 8 ASP HB3 1 1 14 4364 1 1 8 ASP N N -3.850 4.399 -3.343 1.00 . A A . 8 ASP N 1 1 14 4365 1 1 8 ASP O O -4.106 4.533 -0.637 1.00 . A A . 8 ASP O 1 1 14 4366 1 1 8 ASP OD1 O -6.897 1.651 -2.176 1.00 . A A . 8 ASP OD1 1 1 14 4367 1 1 8 ASP OD2 O -6.503 0.806 -4.118 1.00 . A A . 8 ASP OD2 1 1 14 4368 1 1 9 LYS C C -4.430 1.400 1.497 1.00 . A A . 9 LYS C 1 1 14 4369 1 1 9 LYS CA C -5.142 2.684 1.035 1.00 . A A . 9 LYS CA 1 1 14 4370 1 1 9 LYS CB C -6.532 2.786 1.685 1.00 . A A . 9 LYS CB 1 1 14 4371 1 1 9 LYS CD C -6.720 5.176 0.885 1.00 . A A . 9 LYS CD 1 1 14 4372 1 1 9 LYS CE C -6.084 5.483 2.245 1.00 . A A . 9 LYS CE 1 1 14 4373 1 1 9 LYS CG C -7.405 3.804 0.928 1.00 . A A . 9 LYS CG 1 1 14 4374 1 1 9 LYS H H -5.772 1.967 -0.903 1.00 . A A . 9 LYS H 1 1 14 4375 1 1 9 LYS HA H -4.545 3.532 1.333 1.00 . A A . 9 LYS HA 1 1 14 4376 1 1 9 LYS HB2 H -7.010 1.819 1.663 1.00 . A A . 9 LYS HB2 1 1 14 4377 1 1 9 LYS HB3 H -6.422 3.108 2.711 1.00 . A A . 9 LYS HB3 1 1 14 4378 1 1 9 LYS HD2 H -5.957 5.175 0.121 1.00 . A A . 9 LYS HD2 1 1 14 4379 1 1 9 LYS HD3 H -7.455 5.936 0.656 1.00 . A A . 9 LYS HD3 1 1 14 4380 1 1 9 LYS HE2 H -6.860 5.584 2.990 1.00 . A A . 9 LYS HE2 1 1 14 4381 1 1 9 LYS HE3 H -5.421 4.678 2.522 1.00 . A A . 9 LYS HE3 1 1 14 4382 1 1 9 LYS HG2 H -7.568 3.456 -0.082 1.00 . A A . 9 LYS HG2 1 1 14 4383 1 1 9 LYS HG3 H -8.360 3.903 1.428 1.00 . A A . 9 LYS HG3 1 1 14 4384 1 1 9 LYS HZ1 H -5.944 7.558 2.349 1.00 . A A . 9 LYS HZ1 1 1 14 4385 1 1 9 LYS HZ2 H -4.911 6.850 1.201 1.00 . A A . 9 LYS HZ2 1 1 14 4386 1 1 9 LYS HZ3 H -4.544 6.744 2.856 1.00 . A A . 9 LYS HZ3 1 1 14 4387 1 1 9 LYS N N -5.276 2.681 -0.455 1.00 . A A . 9 LYS N 1 1 14 4388 1 1 9 LYS NZ N -5.313 6.755 2.156 1.00 . A A . 9 LYS NZ 1 1 14 4389 1 1 9 LYS O O -3.258 1.422 1.812 1.00 . A A . 9 LYS O 1 1 14 4390 1 1 10 GLU C C -3.504 -1.456 0.877 1.00 . A A . 10 GLU C 1 1 14 4391 1 1 10 GLU CA C -4.431 -0.972 1.988 1.00 . A A . 10 GLU CA 1 1 14 4392 1 1 10 GLU CB C -5.473 -2.051 2.286 1.00 . A A . 10 GLU CB 1 1 14 4393 1 1 10 GLU CD C -7.612 -2.449 3.512 1.00 . A A . 10 GLU CD 1 1 14 4394 1 1 10 GLU CG C -6.740 -1.395 2.828 1.00 . A A . 10 GLU CG 1 1 14 4395 1 1 10 GLU H H -6.052 0.259 1.295 1.00 . A A . 10 GLU H 1 1 14 4396 1 1 10 GLU HA H -3.853 -0.770 2.875 1.00 . A A . 10 GLU HA 1 1 14 4397 1 1 10 GLU HB2 H -5.705 -2.589 1.378 1.00 . A A . 10 GLU HB2 1 1 14 4398 1 1 10 GLU HB3 H -5.082 -2.736 3.022 1.00 . A A . 10 GLU HB3 1 1 14 4399 1 1 10 GLU HG2 H -6.468 -0.630 3.542 1.00 . A A . 10 GLU HG2 1 1 14 4400 1 1 10 GLU HG3 H -7.288 -0.949 2.014 1.00 . A A . 10 GLU HG3 1 1 14 4401 1 1 10 GLU N N -5.109 0.280 1.545 1.00 . A A . 10 GLU N 1 1 14 4402 1 1 10 GLU O O -2.467 -2.037 1.129 1.00 . A A . 10 GLU O 1 1 14 4403 1 1 10 GLU OE1 O -7.388 -3.623 3.269 1.00 . A A . 10 GLU OE1 1 1 14 4404 1 1 10 GLU OE2 O -8.488 -2.064 4.268 1.00 . A A . 10 GLU OE2 1 1 14 4405 1 1 11 CYS C C -1.695 -0.813 -1.386 1.00 . A A . 11 CYS C 1 1 14 4406 1 1 11 CYS CA C -2.983 -1.623 -1.474 1.00 . A A . 11 CYS CA 1 1 14 4407 1 1 11 CYS CB C -3.689 -1.342 -2.803 1.00 . A A . 11 CYS CB 1 1 14 4408 1 1 11 CYS H H -4.683 -0.711 -0.532 1.00 . A A . 11 CYS H 1 1 14 4409 1 1 11 CYS HA H -2.761 -2.674 -1.389 1.00 . A A . 11 CYS HA 1 1 14 4410 1 1 11 CYS HB2 H -4.671 -1.792 -2.790 1.00 . A A . 11 CYS HB2 1 1 14 4411 1 1 11 CYS HB3 H -3.784 -0.275 -2.940 1.00 . A A . 11 CYS HB3 1 1 14 4412 1 1 11 CYS N N -3.857 -1.200 -0.352 1.00 . A A . 11 CYS N 1 1 14 4413 1 1 11 CYS O O -0.668 -1.176 -1.925 1.00 . A A . 11 CYS O 1 1 14 4414 1 1 11 CYS SG S -2.723 -2.042 -4.161 1.00 . A A . 11 CYS SG 1 1 14 4415 1 1 12 VAL C C 0.377 0.533 0.511 1.00 . A A . 12 VAL C 1 1 14 4416 1 1 12 VAL CA C -0.567 1.154 -0.526 1.00 . A A . 12 VAL CA 1 1 14 4417 1 1 12 VAL CB C -1.049 2.529 -0.057 1.00 . A A . 12 VAL CB 1 1 14 4418 1 1 12 VAL CG1 C 0.070 3.270 0.661 1.00 . A A . 12 VAL CG1 1 1 14 4419 1 1 12 VAL CG2 C -1.498 3.335 -1.271 1.00 . A A . 12 VAL CG2 1 1 14 4420 1 1 12 VAL H H -2.602 0.547 -0.269 1.00 . A A . 12 VAL H 1 1 14 4421 1 1 12 VAL HA H -0.054 1.254 -1.470 1.00 . A A . 12 VAL HA 1 1 14 4422 1 1 12 VAL HB H -1.880 2.410 0.617 1.00 . A A . 12 VAL HB 1 1 14 4423 1 1 12 VAL HG11 H 0.100 4.292 0.316 1.00 . A A . 12 VAL HG11 1 1 14 4424 1 1 12 VAL HG12 H 1.010 2.785 0.450 1.00 . A A . 12 VAL HG12 1 1 14 4425 1 1 12 VAL HG13 H -0.118 3.251 1.724 1.00 . A A . 12 VAL HG13 1 1 14 4426 1 1 12 VAL HG21 H -0.775 3.219 -2.064 1.00 . A A . 12 VAL HG21 1 1 14 4427 1 1 12 VAL HG22 H -1.577 4.376 -1.001 1.00 . A A . 12 VAL HG22 1 1 14 4428 1 1 12 VAL HG23 H -2.460 2.972 -1.604 1.00 . A A . 12 VAL HG23 1 1 14 4429 1 1 12 VAL N N -1.757 0.288 -0.691 1.00 . A A . 12 VAL N 1 1 14 4430 1 1 12 VAL O O 1.583 0.651 0.417 1.00 . A A . 12 VAL O 1 1 14 4431 1 1 13 TYR C C 1.600 -1.800 1.888 1.00 . A A . 13 TYR C 1 1 14 4432 1 1 13 TYR CA C 0.698 -0.754 2.538 1.00 . A A . 13 TYR CA 1 1 14 4433 1 1 13 TYR CB C -0.189 -1.429 3.584 1.00 . A A . 13 TYR CB 1 1 14 4434 1 1 13 TYR CD1 C -0.396 0.839 4.662 1.00 . A A . 13 TYR CD1 1 1 14 4435 1 1 13 TYR CD2 C -2.327 -0.627 4.646 1.00 . A A . 13 TYR CD2 1 1 14 4436 1 1 13 TYR CE1 C -1.140 1.811 5.339 1.00 . A A . 13 TYR CE1 1 1 14 4437 1 1 13 TYR CE2 C -3.071 0.346 5.323 1.00 . A A . 13 TYR CE2 1 1 14 4438 1 1 13 TYR CG C -0.990 -0.382 4.315 1.00 . A A . 13 TYR CG 1 1 14 4439 1 1 13 TYR CZ C -2.477 1.566 5.670 1.00 . A A . 13 TYR CZ 1 1 14 4440 1 1 13 TYR H H -1.134 -0.211 1.556 1.00 . A A . 13 TYR H 1 1 14 4441 1 1 13 TYR HA H 1.304 0.002 3.012 1.00 . A A . 13 TYR HA 1 1 14 4442 1 1 13 TYR HB2 H -0.862 -2.119 3.095 1.00 . A A . 13 TYR HB2 1 1 14 4443 1 1 13 TYR HB3 H 0.427 -1.966 4.289 1.00 . A A . 13 TYR HB3 1 1 14 4444 1 1 13 TYR HD1 H 0.635 1.029 4.407 1.00 . A A . 13 TYR HD1 1 1 14 4445 1 1 13 TYR HD2 H -2.785 -1.568 4.379 1.00 . A A . 13 TYR HD2 1 1 14 4446 1 1 13 TYR HE1 H -0.682 2.753 5.607 1.00 . A A . 13 TYR HE1 1 1 14 4447 1 1 13 TYR HE2 H -4.103 0.156 5.579 1.00 . A A . 13 TYR HE2 1 1 14 4448 1 1 13 TYR HH H -3.090 3.361 5.882 1.00 . A A . 13 TYR HH 1 1 14 4449 1 1 13 TYR N N -0.162 -0.126 1.499 1.00 . A A . 13 TYR N 1 1 14 4450 1 1 13 TYR O O 2.695 -2.062 2.345 1.00 . A A . 13 TYR O 1 1 14 4451 1 1 13 TYR OH O -3.211 2.525 6.338 1.00 . A A . 13 TYR OH 1 1 14 4452 1 1 14 PHE C C 3.249 -2.816 -0.400 1.00 . A A . 14 PHE C 1 1 14 4453 1 1 14 PHE CA C 1.968 -3.443 0.155 1.00 . A A . 14 PHE CA 1 1 14 4454 1 1 14 PHE CB C 1.159 -4.065 -0.984 1.00 . A A . 14 PHE CB 1 1 14 4455 1 1 14 PHE CD1 C -0.483 -4.520 0.885 1.00 . A A . 14 PHE CD1 1 1 14 4456 1 1 14 PHE CD2 C -1.262 -4.630 -1.410 1.00 . A A . 14 PHE CD2 1 1 14 4457 1 1 14 PHE CE1 C -1.766 -4.845 1.337 1.00 . A A . 14 PHE CE1 1 1 14 4458 1 1 14 PHE CE2 C -2.546 -4.955 -0.955 1.00 . A A . 14 PHE CE2 1 1 14 4459 1 1 14 PHE CG C -0.228 -4.412 -0.491 1.00 . A A . 14 PHE CG 1 1 14 4460 1 1 14 PHE CZ C -2.798 -5.062 0.417 1.00 . A A . 14 PHE CZ 1 1 14 4461 1 1 14 PHE H H 0.253 -2.184 0.484 1.00 . A A . 14 PHE H 1 1 14 4462 1 1 14 PHE HA H 2.224 -4.209 0.871 1.00 . A A . 14 PHE HA 1 1 14 4463 1 1 14 PHE HB2 H 1.086 -3.360 -1.799 1.00 . A A . 14 PHE HB2 1 1 14 4464 1 1 14 PHE HB3 H 1.652 -4.962 -1.327 1.00 . A A . 14 PHE HB3 1 1 14 4465 1 1 14 PHE HD1 H 0.313 -4.352 1.596 1.00 . A A . 14 PHE HD1 1 1 14 4466 1 1 14 PHE HD2 H -1.068 -4.548 -2.468 1.00 . A A . 14 PHE HD2 1 1 14 4467 1 1 14 PHE HE1 H -1.961 -4.928 2.396 1.00 . A A . 14 PHE HE1 1 1 14 4468 1 1 14 PHE HE2 H -3.342 -5.123 -1.665 1.00 . A A . 14 PHE HE2 1 1 14 4469 1 1 14 PHE HZ H -3.789 -5.312 0.767 1.00 . A A . 14 PHE HZ 1 1 14 4470 1 1 14 PHE N N 1.144 -2.405 0.830 1.00 . A A . 14 PHE N 1 1 14 4471 1 1 14 PHE O O 4.250 -3.483 -0.573 1.00 . A A . 14 PHE O 1 1 14 4472 1 1 15 CYS C C 5.415 -0.523 -0.085 1.00 . A A . 15 CYS C 1 1 14 4473 1 1 15 CYS CA C 4.451 -0.881 -1.227 1.00 . A A . 15 CYS CA 1 1 14 4474 1 1 15 CYS CB C 4.038 0.394 -1.959 1.00 . A A . 15 CYS CB 1 1 14 4475 1 1 15 CYS H H 2.417 -1.016 -0.545 1.00 . A A . 15 CYS H 1 1 14 4476 1 1 15 CYS HA H 4.944 -1.548 -1.918 1.00 . A A . 15 CYS HA 1 1 14 4477 1 1 15 CYS HB2 H 3.304 0.918 -1.375 1.00 . A A . 15 CYS HB2 1 1 14 4478 1 1 15 CYS HB3 H 4.896 1.025 -2.094 1.00 . A A . 15 CYS HB3 1 1 14 4479 1 1 15 CYS N N 3.232 -1.541 -0.683 1.00 . A A . 15 CYS N 1 1 14 4480 1 1 15 CYS O O 6.306 0.286 -0.253 1.00 . A A . 15 CYS O 1 1 14 4481 1 1 15 CYS SG S 3.339 -0.029 -3.574 1.00 . A A . 15 CYS SG 1 1 14 4482 1 1 16 HIS C C 5.744 0.497 2.886 1.00 . A A . 16 HIS C 1 1 14 4483 1 1 16 HIS CA C 6.162 -0.818 2.215 1.00 . A A . 16 HIS CA 1 1 14 4484 1 1 16 HIS CB C 7.601 -0.695 1.707 1.00 . A A . 16 HIS CB 1 1 14 4485 1 1 16 HIS CD2 C 8.350 -1.267 4.160 1.00 . A A . 16 HIS CD2 1 1 14 4486 1 1 16 HIS CE1 C 10.494 -1.172 3.864 1.00 . A A . 16 HIS CE1 1 1 14 4487 1 1 16 HIS CG C 8.556 -0.952 2.839 1.00 . A A . 16 HIS CG 1 1 14 4488 1 1 16 HIS H H 4.528 -1.768 1.186 1.00 . A A . 16 HIS H 1 1 14 4489 1 1 16 HIS HA H 6.108 -1.622 2.935 1.00 . A A . 16 HIS HA 1 1 14 4490 1 1 16 HIS HB2 H 7.768 -1.417 0.923 1.00 . A A . 16 HIS HB2 1 1 14 4491 1 1 16 HIS HB3 H 7.761 0.301 1.320 1.00 . A A . 16 HIS HB3 1 1 14 4492 1 1 16 HIS HD1 H 10.406 -0.693 1.841 1.00 . A A . 16 HIS HD1 1 1 14 4493 1 1 16 HIS HD2 H 7.384 -1.388 4.627 1.00 . A A . 16 HIS HD2 1 1 14 4494 1 1 16 HIS HE1 H 11.560 -1.201 4.039 1.00 . A A . 16 HIS HE1 1 1 14 4495 1 1 16 HIS N N 5.250 -1.119 1.070 1.00 . A A . 16 HIS N 1 1 14 4496 1 1 16 HIS ND1 N 9.931 -0.896 2.674 1.00 . A A . 16 HIS ND1 1 1 14 4497 1 1 16 HIS NE2 N 9.575 -1.405 4.805 1.00 . A A . 16 HIS NE2 1 1 14 4498 1 1 16 HIS O O 6.576 1.306 3.247 1.00 . A A . 16 HIS O 1 1 14 4499 1 1 17 LEU C C 3.455 1.691 5.086 1.00 . A A . 17 LEU C 1 1 14 4500 1 1 17 LEU CA C 4.010 1.982 3.690 1.00 . A A . 17 LEU CA 1 1 14 4501 1 1 17 LEU CB C 2.911 2.588 2.833 1.00 . A A . 17 LEU CB 1 1 14 4502 1 1 17 LEU CD1 C 3.713 2.220 0.502 1.00 . A A . 17 LEU CD1 1 1 14 4503 1 1 17 LEU CD2 C 2.604 4.370 1.112 1.00 . A A . 17 LEU CD2 1 1 14 4504 1 1 17 LEU CG C 3.529 3.258 1.607 1.00 . A A . 17 LEU CG 1 1 14 4505 1 1 17 LEU H H 3.806 0.071 2.752 1.00 . A A . 17 LEU H 1 1 14 4506 1 1 17 LEU HA H 4.835 2.675 3.762 1.00 . A A . 17 LEU HA 1 1 14 4507 1 1 17 LEU HB2 H 2.231 1.813 2.521 1.00 . A A . 17 LEU HB2 1 1 14 4508 1 1 17 LEU HB3 H 2.378 3.310 3.407 1.00 . A A . 17 LEU HB3 1 1 14 4509 1 1 17 LEU HD11 H 3.005 2.409 -0.291 1.00 . A A . 17 LEU HD11 1 1 14 4510 1 1 17 LEU HD12 H 3.547 1.231 0.904 1.00 . A A . 17 LEU HD12 1 1 14 4511 1 1 17 LEU HD13 H 4.718 2.283 0.110 1.00 . A A . 17 LEU HD13 1 1 14 4512 1 1 17 LEU HD21 H 2.261 4.136 0.115 1.00 . A A . 17 LEU HD21 1 1 14 4513 1 1 17 LEU HD22 H 3.142 5.306 1.097 1.00 . A A . 17 LEU HD22 1 1 14 4514 1 1 17 LEU HD23 H 1.755 4.453 1.774 1.00 . A A . 17 LEU HD23 1 1 14 4515 1 1 17 LEU HG H 4.490 3.676 1.873 1.00 . A A . 17 LEU HG 1 1 14 4516 1 1 17 LEU N N 4.467 0.723 3.052 1.00 . A A . 17 LEU N 1 1 14 4517 1 1 17 LEU O O 2.291 1.906 5.355 1.00 . A A . 17 LEU O 1 1 14 4518 1 1 18 ASP C C 2.420 0.295 7.320 1.00 . A A . 18 ASP C 1 1 14 4519 1 1 18 ASP CA C 3.821 0.913 7.356 1.00 . A A . 18 ASP CA 1 1 14 4520 1 1 18 ASP CB C 3.791 2.207 8.169 1.00 . A A . 18 ASP CB 1 1 14 4521 1 1 18 ASP CG C 2.727 3.146 7.599 1.00 . A A . 18 ASP CG 1 1 14 4522 1 1 18 ASP H H 5.215 1.063 5.728 1.00 . A A . 18 ASP H 1 1 14 4523 1 1 18 ASP HA H 4.507 0.217 7.818 1.00 . A A . 18 ASP HA 1 1 14 4524 1 1 18 ASP HB2 H 3.557 1.978 9.197 1.00 . A A . 18 ASP HB2 1 1 14 4525 1 1 18 ASP HB3 H 4.756 2.687 8.118 1.00 . A A . 18 ASP HB3 1 1 14 4526 1 1 18 ASP N N 4.283 1.214 5.971 1.00 . A A . 18 ASP N 1 1 14 4527 1 1 18 ASP O O 1.446 0.922 7.689 1.00 . A A . 18 ASP O 1 1 14 4528 1 1 18 ASP OD1 O 3.003 3.782 6.595 1.00 . A A . 18 ASP OD1 1 1 14 4529 1 1 18 ASP OD2 O 1.654 3.213 8.175 1.00 . A A . 18 ASP OD2 1 1 14 4530 1 1 19 ILE C C 0.323 -1.528 8.216 1.00 . A A . 19 ILE C 1 1 14 4531 1 1 19 ILE CA C 0.967 -1.577 6.827 1.00 . A A . 19 ILE CA 1 1 14 4532 1 1 19 ILE CB C 1.122 -3.039 6.372 1.00 . A A . 19 ILE CB 1 1 14 4533 1 1 19 ILE CD1 C 1.570 -5.385 7.121 1.00 . A A . 19 ILE CD1 1 1 14 4534 1 1 19 ILE CG1 C 1.529 -3.922 7.559 1.00 . A A . 19 ILE CG1 1 1 14 4535 1 1 19 ILE CG2 C 2.198 -3.126 5.289 1.00 . A A . 19 ILE CG2 1 1 14 4536 1 1 19 ILE H H 3.098 -1.423 6.588 1.00 . A A . 19 ILE H 1 1 14 4537 1 1 19 ILE HA H 0.340 -1.047 6.124 1.00 . A A . 19 ILE HA 1 1 14 4538 1 1 19 ILE HB H 0.186 -3.388 5.967 1.00 . A A . 19 ILE HB 1 1 14 4539 1 1 19 ILE HD11 H 1.731 -5.436 6.055 1.00 . A A . 19 ILE HD11 1 1 14 4540 1 1 19 ILE HD12 H 0.632 -5.860 7.369 1.00 . A A . 19 ILE HD12 1 1 14 4541 1 1 19 ILE HD13 H 2.376 -5.890 7.633 1.00 . A A . 19 ILE HD13 1 1 14 4542 1 1 19 ILE HG12 H 2.503 -3.623 7.914 1.00 . A A . 19 ILE HG12 1 1 14 4543 1 1 19 ILE HG13 H 0.805 -3.811 8.352 1.00 . A A . 19 ILE HG13 1 1 14 4544 1 1 19 ILE HG21 H 2.282 -2.174 4.787 1.00 . A A . 19 ILE HG21 1 1 14 4545 1 1 19 ILE HG22 H 1.926 -3.888 4.573 1.00 . A A . 19 ILE HG22 1 1 14 4546 1 1 19 ILE HG23 H 3.145 -3.379 5.743 1.00 . A A . 19 ILE HG23 1 1 14 4547 1 1 19 ILE N N 2.305 -0.930 6.881 1.00 . A A . 19 ILE N 1 1 14 4548 1 1 19 ILE O O 0.916 -1.932 9.197 1.00 . A A . 19 ILE O 1 1 14 4549 1 1 20 ILE C C -2.763 -1.891 9.669 1.00 . A A . 20 ILE C 1 1 14 4550 1 1 20 ILE CA C -1.536 -0.980 9.656 1.00 . A A . 20 ILE CA 1 1 14 4551 1 1 20 ILE CB C -1.958 0.456 9.963 1.00 . A A . 20 ILE CB 1 1 14 4552 1 1 20 ILE CD1 C 0.151 0.580 11.304 1.00 . A A . 20 ILE CD1 1 1 14 4553 1 1 20 ILE CG1 C -0.716 1.297 10.267 1.00 . A A . 20 ILE CG1 1 1 14 4554 1 1 20 ILE CG2 C -2.888 0.470 11.177 1.00 . A A . 20 ILE CG2 1 1 14 4555 1 1 20 ILE H H -1.352 -0.705 7.518 1.00 . A A . 20 ILE H 1 1 14 4556 1 1 20 ILE HA H -0.840 -1.321 10.409 1.00 . A A . 20 ILE HA 1 1 14 4557 1 1 20 ILE HB H -2.474 0.869 9.109 1.00 . A A . 20 ILE HB 1 1 14 4558 1 1 20 ILE HD11 H 0.966 0.074 10.806 1.00 . A A . 20 ILE HD11 1 1 14 4559 1 1 20 ILE HD12 H -0.448 -0.143 11.838 1.00 . A A . 20 ILE HD12 1 1 14 4560 1 1 20 ILE HD13 H 0.549 1.302 12.001 1.00 . A A . 20 ILE HD13 1 1 14 4561 1 1 20 ILE HG12 H -0.148 1.442 9.359 1.00 . A A . 20 ILE HG12 1 1 14 4562 1 1 20 ILE HG13 H -1.021 2.251 10.658 1.00 . A A . 20 ILE HG13 1 1 14 4563 1 1 20 ILE HG21 H -3.872 0.798 10.873 1.00 . A A . 20 ILE HG21 1 1 14 4564 1 1 20 ILE HG22 H -2.498 1.147 11.923 1.00 . A A . 20 ILE HG22 1 1 14 4565 1 1 20 ILE HG23 H -2.953 -0.526 11.592 1.00 . A A . 20 ILE HG23 1 1 14 4566 1 1 20 ILE N N -0.882 -1.037 8.318 1.00 . A A . 20 ILE N 1 1 14 4567 1 1 20 ILE O O -3.886 -1.442 9.558 1.00 . A A . 20 ILE O 1 1 14 4568 1 1 21 TRP C C -4.689 -3.692 10.933 1.00 . A A . 21 TRP C 1 1 14 4569 1 1 21 TRP CA C -3.711 -4.111 9.833 1.00 . A A . 21 TRP CA 1 1 14 4570 1 1 21 TRP CB C -3.251 -5.557 10.089 1.00 . A A . 21 TRP CB 1 1 14 4571 1 1 21 TRP CD1 C -1.052 -6.619 10.731 1.00 . A A . 21 TRP CD1 1 1 14 4572 1 1 21 TRP CD2 C -1.384 -4.672 11.809 1.00 . A A . 21 TRP CD2 1 1 14 4573 1 1 21 TRP CE2 C -0.132 -5.172 12.243 1.00 . A A . 21 TRP CE2 1 1 14 4574 1 1 21 TRP CE3 C -1.825 -3.448 12.345 1.00 . A A . 21 TRP CE3 1 1 14 4575 1 1 21 TRP CG C -1.949 -5.610 10.840 1.00 . A A . 21 TRP CG 1 1 14 4576 1 1 21 TRP CH2 C 0.195 -3.273 13.693 1.00 . A A . 21 TRP CH2 1 1 14 4577 1 1 21 TRP CZ2 C 0.650 -4.486 13.172 1.00 . A A . 21 TRP CZ2 1 1 14 4578 1 1 21 TRP CZ3 C -1.040 -2.755 13.281 1.00 . A A . 21 TRP CZ3 1 1 14 4579 1 1 21 TRP H H -1.639 -3.505 9.896 1.00 . A A . 21 TRP H 1 1 14 4580 1 1 21 TRP HA H -4.218 -4.066 8.880 1.00 . A A . 21 TRP HA 1 1 14 4581 1 1 21 TRP HB2 H -4.007 -6.068 10.665 1.00 . A A . 21 TRP HB2 1 1 14 4582 1 1 21 TRP HB3 H -3.133 -6.060 9.140 1.00 . A A . 21 TRP HB3 1 1 14 4583 1 1 21 TRP HD1 H -1.160 -7.486 10.097 1.00 . A A . 21 TRP HD1 1 1 14 4584 1 1 21 TRP HE1 H 0.811 -6.934 11.658 1.00 . A A . 21 TRP HE1 1 1 14 4585 1 1 21 TRP HE3 H -2.770 -3.038 12.033 1.00 . A A . 21 TRP HE3 1 1 14 4586 1 1 21 TRP HH2 H 0.795 -2.735 14.413 1.00 . A A . 21 TRP HH2 1 1 14 4587 1 1 21 TRP HZ2 H 1.601 -4.890 13.485 1.00 . A A . 21 TRP HZ2 1 1 14 4588 1 1 21 TRP HZ3 H -1.390 -1.817 13.685 1.00 . A A . 21 TRP HZ3 1 1 14 4589 1 1 21 TRP N N -2.553 -3.170 9.809 1.00 . A A . 21 TRP N 1 1 14 4590 1 1 21 TRP NE1 N 0.024 -6.359 11.557 1.00 . A A . 21 TRP NE1 1 1 14 4591 1 1 21 TRP O O -4.621 -4.265 12.008 1.00 . A A . 21 TRP O 1 1 14 4592 1 1 21 TRP OXT O -5.489 -2.806 10.682 1.00 . A A . 21 TRP OXT 1 1 15 4593 1 1 1 CYS C C 6.052 -2.115 -5.409 1.00 . A A . 1 CYS C 1 1 15 4594 1 1 1 CYS CA C 6.803 -1.595 -4.183 1.00 . A A . 1 CYS CA 1 1 15 4595 1 1 1 CYS CB C 7.533 -0.299 -4.544 1.00 . A A . 1 CYS CB 1 1 15 4596 1 1 1 CYS H1 H 8.101 -3.180 -4.553 1.00 . A A . 1 CYS H1 1 1 15 4597 1 1 1 CYS H2 H 7.355 -3.238 -3.028 1.00 . A A . 1 CYS H2 1 1 15 4598 1 1 1 CYS H3 H 8.618 -2.139 -3.319 1.00 . A A . 1 CYS H3 1 1 15 4599 1 1 1 CYS HA H 6.102 -1.403 -3.386 1.00 . A A . 1 CYS HA 1 1 15 4600 1 1 1 CYS HB2 H 8.583 -0.402 -4.316 1.00 . A A . 1 CYS HB2 1 1 15 4601 1 1 1 CYS HB3 H 7.411 -0.100 -5.598 1.00 . A A . 1 CYS HB3 1 1 15 4602 1 1 1 CYS N N 7.794 -2.615 -3.737 1.00 . A A . 1 CYS N 1 1 15 4603 1 1 1 CYS O O 6.595 -2.196 -6.492 1.00 . A A . 1 CYS O 1 1 15 4604 1 1 1 CYS SG S 6.838 1.071 -3.587 1.00 . A A . 1 CYS SG 1 1 15 4605 1 1 2 SER C C 2.533 -2.980 -6.072 1.00 . A A . 2 SER C 1 1 15 4606 1 1 2 SER CA C 4.026 -2.984 -6.408 1.00 . A A . 2 SER CA 1 1 15 4607 1 1 2 SER CB C 4.471 -4.411 -6.727 1.00 . A A . 2 SER CB 1 1 15 4608 1 1 2 SER H H 4.384 -2.398 -4.367 1.00 . A A . 2 SER H 1 1 15 4609 1 1 2 SER HA H 4.202 -2.354 -7.267 1.00 . A A . 2 SER HA 1 1 15 4610 1 1 2 SER HB2 H 5.224 -4.392 -7.497 1.00 . A A . 2 SER HB2 1 1 15 4611 1 1 2 SER HB3 H 4.882 -4.866 -5.836 1.00 . A A . 2 SER HB3 1 1 15 4612 1 1 2 SER HG H 3.610 -6.084 -7.222 1.00 . A A . 2 SER HG 1 1 15 4613 1 1 2 SER N N 4.806 -2.470 -5.248 1.00 . A A . 2 SER N 1 1 15 4614 1 1 2 SER O O 2.010 -3.921 -5.509 1.00 . A A . 2 SER O 1 1 15 4615 1 1 2 SER OG O 3.353 -5.161 -7.185 1.00 . A A . 2 SER OG 1 1 15 4616 1 1 3 CYS C C -0.341 -1.290 -7.354 1.00 . A A . 3 CYS C 1 1 15 4617 1 1 3 CYS CA C 0.382 -1.865 -6.128 1.00 . A A . 3 CYS CA 1 1 15 4618 1 1 3 CYS CB C 0.144 -0.967 -4.901 1.00 . A A . 3 CYS CB 1 1 15 4619 1 1 3 CYS H H 2.282 -1.183 -6.876 1.00 . A A . 3 CYS H 1 1 15 4620 1 1 3 CYS HA H 0.016 -2.861 -5.924 1.00 . A A . 3 CYS HA 1 1 15 4621 1 1 3 CYS HB2 H 0.377 -1.520 -4.004 1.00 . A A . 3 CYS HB2 1 1 15 4622 1 1 3 CYS HB3 H 0.783 -0.098 -4.963 1.00 . A A . 3 CYS HB3 1 1 15 4623 1 1 3 CYS N N 1.842 -1.929 -6.419 1.00 . A A . 3 CYS N 1 1 15 4624 1 1 3 CYS O O 0.264 -0.667 -8.203 1.00 . A A . 3 CYS O 1 1 15 4625 1 1 3 CYS SG S -1.588 -0.440 -4.830 1.00 . A A . 3 CYS SG 1 1 15 4626 1 1 4 SER C C -2.180 0.567 -8.676 1.00 . A A . 4 SER C 1 1 15 4627 1 1 4 SER CA C -2.377 -0.946 -8.618 1.00 . A A . 4 SER CA 1 1 15 4628 1 1 4 SER CB C -3.865 -1.262 -8.466 1.00 . A A . 4 SER CB 1 1 15 4629 1 1 4 SER H H -2.102 -1.987 -6.754 1.00 . A A . 4 SER H 1 1 15 4630 1 1 4 SER HA H -2.003 -1.391 -9.525 1.00 . A A . 4 SER HA 1 1 15 4631 1 1 4 SER HB2 H -4.056 -2.270 -8.794 1.00 . A A . 4 SER HB2 1 1 15 4632 1 1 4 SER HB3 H -4.148 -1.165 -7.426 1.00 . A A . 4 SER HB3 1 1 15 4633 1 1 4 SER HG H -5.257 -0.871 -9.769 1.00 . A A . 4 SER HG 1 1 15 4634 1 1 4 SER N N -1.628 -1.489 -7.451 1.00 . A A . 4 SER N 1 1 15 4635 1 1 4 SER O O -1.707 1.109 -9.656 1.00 . A A . 4 SER O 1 1 15 4636 1 1 4 SER OG O -4.621 -0.360 -9.263 1.00 . A A . 4 SER OG 1 1 15 4637 1 1 5 SER C C -1.773 3.127 -6.232 1.00 . A A . 5 SER C 1 1 15 4638 1 1 5 SER CA C -2.355 2.727 -7.598 1.00 . A A . 5 SER CA 1 1 15 4639 1 1 5 SER CB C -3.714 3.403 -7.818 1.00 . A A . 5 SER CB 1 1 15 4640 1 1 5 SER H H -2.898 0.785 -6.846 1.00 . A A . 5 SER H 1 1 15 4641 1 1 5 SER HA H -1.676 3.015 -8.389 1.00 . A A . 5 SER HA 1 1 15 4642 1 1 5 SER HB2 H -3.680 3.997 -8.717 1.00 . A A . 5 SER HB2 1 1 15 4643 1 1 5 SER HB3 H -4.478 2.645 -7.924 1.00 . A A . 5 SER HB3 1 1 15 4644 1 1 5 SER HG H -4.114 5.143 -7.041 1.00 . A A . 5 SER HG 1 1 15 4645 1 1 5 SER N N -2.529 1.249 -7.624 1.00 . A A . 5 SER N 1 1 15 4646 1 1 5 SER O O -2.361 2.871 -5.200 1.00 . A A . 5 SER O 1 1 15 4647 1 1 5 SER OG O -4.014 4.247 -6.712 1.00 . A A . 5 SER OG 1 1 15 4648 1 1 6 LEU C C -0.908 5.001 -4.070 1.00 . A A . 6 LEU C 1 1 15 4649 1 1 6 LEU CA C 0.025 4.112 -4.914 1.00 . A A . 6 LEU CA 1 1 15 4650 1 1 6 LEU CB C 1.334 4.863 -5.182 1.00 . A A . 6 LEU CB 1 1 15 4651 1 1 6 LEU CD1 C 2.435 2.942 -6.349 1.00 . A A . 6 LEU CD1 1 1 15 4652 1 1 6 LEU CD2 C 3.823 4.639 -5.148 1.00 . A A . 6 LEU CD2 1 1 15 4653 1 1 6 LEU CG C 2.499 3.872 -5.136 1.00 . A A . 6 LEU CG 1 1 15 4654 1 1 6 LEU H H -0.141 3.904 -7.056 1.00 . A A . 6 LEU H 1 1 15 4655 1 1 6 LEU HA H 0.253 3.213 -4.358 1.00 . A A . 6 LEU HA 1 1 15 4656 1 1 6 LEU HB2 H 1.298 5.335 -6.153 1.00 . A A . 6 LEU HB2 1 1 15 4657 1 1 6 LEU HB3 H 1.478 5.616 -4.422 1.00 . A A . 6 LEU HB3 1 1 15 4658 1 1 6 LEU HD11 H 3.361 2.393 -6.430 1.00 . A A . 6 LEU HD11 1 1 15 4659 1 1 6 LEU HD12 H 2.284 3.527 -7.244 1.00 . A A . 6 LEU HD12 1 1 15 4660 1 1 6 LEU HD13 H 1.616 2.248 -6.229 1.00 . A A . 6 LEU HD13 1 1 15 4661 1 1 6 LEU HD21 H 4.489 4.219 -4.408 1.00 . A A . 6 LEU HD21 1 1 15 4662 1 1 6 LEU HD22 H 3.639 5.678 -4.920 1.00 . A A . 6 LEU HD22 1 1 15 4663 1 1 6 LEU HD23 H 4.275 4.559 -6.126 1.00 . A A . 6 LEU HD23 1 1 15 4664 1 1 6 LEU HG H 2.430 3.283 -4.233 1.00 . A A . 6 LEU HG 1 1 15 4665 1 1 6 LEU N N -0.610 3.727 -6.215 1.00 . A A . 6 LEU N 1 1 15 4666 1 1 6 LEU O O -0.677 5.196 -2.893 1.00 . A A . 6 LEU O 1 1 15 4667 1 1 7 MET C C -3.917 5.598 -3.120 1.00 . A A . 7 MET C 1 1 15 4668 1 1 7 MET CA C -2.853 6.434 -3.845 1.00 . A A . 7 MET CA 1 1 15 4669 1 1 7 MET CB C -3.537 7.441 -4.776 1.00 . A A . 7 MET CB 1 1 15 4670 1 1 7 MET CE C -4.389 10.620 -2.909 1.00 . A A . 7 MET CE 1 1 15 4671 1 1 7 MET CG C -4.660 8.159 -4.024 1.00 . A A . 7 MET CG 1 1 15 4672 1 1 7 MET H H -2.123 5.408 -5.592 1.00 . A A . 7 MET H 1 1 15 4673 1 1 7 MET HA H -2.268 6.972 -3.113 1.00 . A A . 7 MET HA 1 1 15 4674 1 1 7 MET HB2 H -2.811 8.166 -5.115 1.00 . A A . 7 MET HB2 1 1 15 4675 1 1 7 MET HB3 H -3.952 6.924 -5.629 1.00 . A A . 7 MET HB3 1 1 15 4676 1 1 7 MET HE1 H -3.420 11.097 -2.915 1.00 . A A . 7 MET HE1 1 1 15 4677 1 1 7 MET HE2 H -4.402 9.846 -2.159 1.00 . A A . 7 MET HE2 1 1 15 4678 1 1 7 MET HE3 H -5.155 11.350 -2.683 1.00 . A A . 7 MET HE3 1 1 15 4679 1 1 7 MET HG2 H -5.606 7.688 -4.251 1.00 . A A . 7 MET HG2 1 1 15 4680 1 1 7 MET HG3 H -4.477 8.103 -2.961 1.00 . A A . 7 MET HG3 1 1 15 4681 1 1 7 MET N N -1.946 5.555 -4.644 1.00 . A A . 7 MET N 1 1 15 4682 1 1 7 MET O O -4.679 6.111 -2.324 1.00 . A A . 7 MET O 1 1 15 4683 1 1 7 MET SD S -4.715 9.894 -4.535 1.00 . A A . 7 MET SD 1 1 15 4684 1 1 8 ASP C C -4.765 3.502 -1.181 1.00 . A A . 8 ASP C 1 1 15 4685 1 1 8 ASP CA C -5.007 3.473 -2.693 1.00 . A A . 8 ASP CA 1 1 15 4686 1 1 8 ASP CB C -4.909 2.028 -3.191 1.00 . A A . 8 ASP CB 1 1 15 4687 1 1 8 ASP CG C -6.290 1.372 -3.128 1.00 . A A . 8 ASP CG 1 1 15 4688 1 1 8 ASP H H -3.367 3.916 -4.022 1.00 . A A . 8 ASP H 1 1 15 4689 1 1 8 ASP HA H -5.992 3.861 -2.905 1.00 . A A . 8 ASP HA 1 1 15 4690 1 1 8 ASP HB2 H -4.555 2.018 -4.210 1.00 . A A . 8 ASP HB2 1 1 15 4691 1 1 8 ASP HB3 H -4.223 1.477 -2.566 1.00 . A A . 8 ASP HB3 1 1 15 4692 1 1 8 ASP N N -3.984 4.318 -3.380 1.00 . A A . 8 ASP N 1 1 15 4693 1 1 8 ASP O O -4.017 4.314 -0.676 1.00 . A A . 8 ASP O 1 1 15 4694 1 1 8 ASP OD1 O -7.151 1.914 -2.452 1.00 . A A . 8 ASP OD1 1 1 15 4695 1 1 8 ASP OD2 O -6.463 0.340 -3.755 1.00 . A A . 8 ASP OD2 1 1 15 4696 1 1 9 LYS C C -4.515 1.274 1.436 1.00 . A A . 9 LYS C 1 1 15 4697 1 1 9 LYS CA C -5.209 2.586 1.025 1.00 . A A . 9 LYS CA 1 1 15 4698 1 1 9 LYS CB C -6.573 2.701 1.721 1.00 . A A . 9 LYS CB 1 1 15 4699 1 1 9 LYS CD C -6.708 5.205 1.676 1.00 . A A . 9 LYS CD 1 1 15 4700 1 1 9 LYS CE C -5.749 5.754 0.620 1.00 . A A . 9 LYS CE 1 1 15 4701 1 1 9 LYS CG C -7.346 3.909 1.168 1.00 . A A . 9 LYS CG 1 1 15 4702 1 1 9 LYS H H -5.992 1.975 -0.889 1.00 . A A . 9 LYS H 1 1 15 4703 1 1 9 LYS HA H -4.585 3.417 1.320 1.00 . A A . 9 LYS HA 1 1 15 4704 1 1 9 LYS HB2 H -7.144 1.801 1.547 1.00 . A A . 9 LYS HB2 1 1 15 4705 1 1 9 LYS HB3 H -6.424 2.831 2.783 1.00 . A A . 9 LYS HB3 1 1 15 4706 1 1 9 LYS HD2 H -7.483 5.933 1.873 1.00 . A A . 9 LYS HD2 1 1 15 4707 1 1 9 LYS HD3 H -6.163 5.005 2.586 1.00 . A A . 9 LYS HD3 1 1 15 4708 1 1 9 LYS HE2 H -4.734 5.511 0.894 1.00 . A A . 9 LYS HE2 1 1 15 4709 1 1 9 LYS HE3 H -5.979 5.314 -0.338 1.00 . A A . 9 LYS HE3 1 1 15 4710 1 1 9 LYS HG2 H -7.322 3.892 0.087 1.00 . A A . 9 LYS HG2 1 1 15 4711 1 1 9 LYS HG3 H -8.373 3.865 1.503 1.00 . A A . 9 LYS HG3 1 1 15 4712 1 1 9 LYS HZ1 H -6.905 7.476 0.436 1.00 . A A . 9 LYS HZ1 1 1 15 4713 1 1 9 LYS HZ2 H -5.373 7.589 -0.290 1.00 . A A . 9 LYS HZ2 1 1 15 4714 1 1 9 LYS HZ3 H -5.524 7.671 1.401 1.00 . A A . 9 LYS HZ3 1 1 15 4715 1 1 9 LYS N N -5.396 2.616 -0.457 1.00 . A A . 9 LYS N 1 1 15 4716 1 1 9 LYS NZ N -5.900 7.235 0.535 1.00 . A A . 9 LYS NZ 1 1 15 4717 1 1 9 LYS O O -3.348 1.269 1.775 1.00 . A A . 9 LYS O 1 1 15 4718 1 1 10 GLU C C -3.588 -1.566 0.740 1.00 . A A . 10 GLU C 1 1 15 4719 1 1 10 GLU CA C -4.566 -1.119 1.819 1.00 . A A . 10 GLU CA 1 1 15 4720 1 1 10 GLU CB C -5.638 -2.190 1.993 1.00 . A A . 10 GLU CB 1 1 15 4721 1 1 10 GLU CD C -7.107 -3.323 3.661 1.00 . A A . 10 GLU CD 1 1 15 4722 1 1 10 GLU CG C -6.027 -2.258 3.462 1.00 . A A . 10 GLU CG 1 1 15 4723 1 1 10 GLU H H -6.149 0.167 1.156 1.00 . A A . 10 GLU H 1 1 15 4724 1 1 10 GLU HA H -4.037 -0.980 2.748 1.00 . A A . 10 GLU HA 1 1 15 4725 1 1 10 GLU HB2 H -6.504 -1.937 1.399 1.00 . A A . 10 GLU HB2 1 1 15 4726 1 1 10 GLU HB3 H -5.248 -3.147 1.681 1.00 . A A . 10 GLU HB3 1 1 15 4727 1 1 10 GLU HG2 H -5.155 -2.510 4.047 1.00 . A A . 10 GLU HG2 1 1 15 4728 1 1 10 GLU HG3 H -6.406 -1.298 3.772 1.00 . A A . 10 GLU HG3 1 1 15 4729 1 1 10 GLU N N -5.209 0.163 1.420 1.00 . A A . 10 GLU N 1 1 15 4730 1 1 10 GLU O O -2.560 -2.149 1.023 1.00 . A A . 10 GLU O 1 1 15 4731 1 1 10 GLU OE1 O -7.196 -4.212 2.830 1.00 . A A . 10 GLU OE1 1 1 15 4732 1 1 10 GLU OE2 O -7.827 -3.232 4.641 1.00 . A A . 10 GLU OE2 1 1 15 4733 1 1 11 CYS C C -1.728 -0.804 -1.509 1.00 . A A . 11 CYS C 1 1 15 4734 1 1 11 CYS CA C -2.965 -1.695 -1.578 1.00 . A A . 11 CYS CA 1 1 15 4735 1 1 11 CYS CB C -3.663 -1.524 -2.929 1.00 . A A . 11 CYS CB 1 1 15 4736 1 1 11 CYS H H -4.713 -0.809 -0.703 1.00 . A A . 11 CYS H 1 1 15 4737 1 1 11 CYS HA H -2.679 -2.724 -1.439 1.00 . A A . 11 CYS HA 1 1 15 4738 1 1 11 CYS HB2 H -4.576 -2.101 -2.937 1.00 . A A . 11 CYS HB2 1 1 15 4739 1 1 11 CYS HB3 H -3.895 -0.481 -3.085 1.00 . A A . 11 CYS HB3 1 1 15 4740 1 1 11 CYS N N -3.890 -1.291 -0.493 1.00 . A A . 11 CYS N 1 1 15 4741 1 1 11 CYS O O -0.746 -1.018 -2.192 1.00 . A A . 11 CYS O 1 1 15 4742 1 1 11 CYS SG S -2.576 -2.102 -4.252 1.00 . A A . 11 CYS SG 1 1 15 4743 1 1 12 VAL C C 0.369 0.597 0.483 1.00 . A A . 12 VAL C 1 1 15 4744 1 1 12 VAL CA C -0.639 1.138 -0.545 1.00 . A A . 12 VAL CA 1 1 15 4745 1 1 12 VAL CB C -1.194 2.492 -0.094 1.00 . A A . 12 VAL CB 1 1 15 4746 1 1 12 VAL CG1 C -0.109 3.315 0.584 1.00 . A A . 12 VAL CG1 1 1 15 4747 1 1 12 VAL CG2 C -1.716 3.242 -1.313 1.00 . A A . 12 VAL CG2 1 1 15 4748 1 1 12 VAL H H -2.593 0.357 -0.157 1.00 . A A . 12 VAL H 1 1 15 4749 1 1 12 VAL HA H -0.150 1.254 -1.498 1.00 . A A . 12 VAL HA 1 1 15 4750 1 1 12 VAL HB H -2.003 2.336 0.601 1.00 . A A . 12 VAL HB 1 1 15 4751 1 1 12 VAL HG11 H 0.853 2.884 0.366 1.00 . A A . 12 VAL HG11 1 1 15 4752 1 1 12 VAL HG12 H -0.276 3.312 1.651 1.00 . A A . 12 VAL HG12 1 1 15 4753 1 1 12 VAL HG13 H -0.147 4.327 0.214 1.00 . A A . 12 VAL HG13 1 1 15 4754 1 1 12 VAL HG21 H -1.949 4.258 -1.038 1.00 . A A . 12 VAL HG21 1 1 15 4755 1 1 12 VAL HG22 H -2.606 2.753 -1.680 1.00 . A A . 12 VAL HG22 1 1 15 4756 1 1 12 VAL HG23 H -0.961 3.241 -2.085 1.00 . A A . 12 VAL HG23 1 1 15 4757 1 1 12 VAL N N -1.783 0.204 -0.685 1.00 . A A . 12 VAL N 1 1 15 4758 1 1 12 VAL O O 1.562 0.767 0.335 1.00 . A A . 12 VAL O 1 1 15 4759 1 1 13 TYR C C 1.843 -1.531 1.891 1.00 . A A . 13 TYR C 1 1 15 4760 1 1 13 TYR CA C 0.846 -0.578 2.545 1.00 . A A . 13 TYR CA 1 1 15 4761 1 1 13 TYR CB C 0.052 -1.330 3.613 1.00 . A A . 13 TYR CB 1 1 15 4762 1 1 13 TYR CD1 C -0.628 0.957 4.414 1.00 . A A . 13 TYR CD1 1 1 15 4763 1 1 13 TYR CD2 C -2.215 -0.865 4.606 1.00 . A A . 13 TYR CD2 1 1 15 4764 1 1 13 TYR CE1 C -1.560 1.831 4.982 1.00 . A A . 13 TYR CE1 1 1 15 4765 1 1 13 TYR CE2 C -3.149 0.010 5.175 1.00 . A A . 13 TYR CE2 1 1 15 4766 1 1 13 TYR CG C -0.954 -0.391 4.226 1.00 . A A . 13 TYR CG 1 1 15 4767 1 1 13 TYR CZ C -2.820 1.358 5.363 1.00 . A A . 13 TYR CZ 1 1 15 4768 1 1 13 TYR H H -1.058 -0.172 1.633 1.00 . A A . 13 TYR H 1 1 15 4769 1 1 13 TYR HA H 1.379 0.237 3.004 1.00 . A A . 13 TYR HA 1 1 15 4770 1 1 13 TYR HB2 H -0.461 -2.166 3.161 1.00 . A A . 13 TYR HB2 1 1 15 4771 1 1 13 TYR HB3 H 0.724 -1.687 4.378 1.00 . A A . 13 TYR HB3 1 1 15 4772 1 1 13 TYR HD1 H 0.345 1.323 4.120 1.00 . A A . 13 TYR HD1 1 1 15 4773 1 1 13 TYR HD2 H -2.468 -1.905 4.462 1.00 . A A . 13 TYR HD2 1 1 15 4774 1 1 13 TYR HE1 H -1.308 2.871 5.127 1.00 . A A . 13 TYR HE1 1 1 15 4775 1 1 13 TYR HE2 H -4.121 -0.355 5.469 1.00 . A A . 13 TYR HE2 1 1 15 4776 1 1 13 TYR HH H -3.620 2.206 6.876 1.00 . A A . 13 TYR HH 1 1 15 4777 1 1 13 TYR N N -0.095 -0.044 1.521 1.00 . A A . 13 TYR N 1 1 15 4778 1 1 13 TYR O O 2.926 -1.752 2.394 1.00 . A A . 13 TYR O 1 1 15 4779 1 1 13 TYR OH O -3.741 2.220 5.923 1.00 . A A . 13 TYR OH 1 1 15 4780 1 1 14 PHE C C 3.669 -2.311 -0.367 1.00 . A A . 14 PHE C 1 1 15 4781 1 1 14 PHE CA C 2.414 -3.053 0.107 1.00 . A A . 14 PHE CA 1 1 15 4782 1 1 14 PHE CB C 1.701 -3.698 -1.082 1.00 . A A . 14 PHE CB 1 1 15 4783 1 1 14 PHE CD1 C 0.158 -4.546 0.728 1.00 . A A . 14 PHE CD1 1 1 15 4784 1 1 14 PHE CD2 C -0.675 -4.412 -1.545 1.00 . A A . 14 PHE CD2 1 1 15 4785 1 1 14 PHE CE1 C -1.079 -5.037 1.156 1.00 . A A . 14 PHE CE1 1 1 15 4786 1 1 14 PHE CE2 C -1.914 -4.904 -1.116 1.00 . A A . 14 PHE CE2 1 1 15 4787 1 1 14 PHE CG C 0.362 -4.233 -0.623 1.00 . A A . 14 PHE CG 1 1 15 4788 1 1 14 PHE CZ C -2.116 -5.215 0.235 1.00 . A A . 14 PHE CZ 1 1 15 4789 1 1 14 PHE H H 0.604 -1.924 0.393 1.00 . A A . 14 PHE H 1 1 15 4790 1 1 14 PHE HA H 2.699 -3.820 0.810 1.00 . A A . 14 PHE HA 1 1 15 4791 1 1 14 PHE HB2 H 1.550 -2.961 -1.856 1.00 . A A . 14 PHE HB2 1 1 15 4792 1 1 14 PHE HB3 H 2.300 -4.510 -1.466 1.00 . A A . 14 PHE HB3 1 1 15 4793 1 1 14 PHE HD1 H 0.958 -4.408 1.441 1.00 . A A . 14 PHE HD1 1 1 15 4794 1 1 14 PHE HD2 H -0.520 -4.173 -2.586 1.00 . A A . 14 PHE HD2 1 1 15 4795 1 1 14 PHE HE1 H -1.235 -5.277 2.197 1.00 . A A . 14 PHE HE1 1 1 15 4796 1 1 14 PHE HE2 H -2.715 -5.042 -1.827 1.00 . A A . 14 PHE HE2 1 1 15 4797 1 1 14 PHE HZ H -3.072 -5.594 0.565 1.00 . A A . 14 PHE HZ 1 1 15 4798 1 1 14 PHE N N 1.486 -2.106 0.780 1.00 . A A . 14 PHE N 1 1 15 4799 1 1 14 PHE O O 4.736 -2.885 -0.461 1.00 . A A . 14 PHE O 1 1 15 4800 1 1 15 CYS C C 5.590 0.185 0.087 1.00 . A A . 15 CYS C 1 1 15 4801 1 1 15 CYS CA C 4.760 -0.281 -1.120 1.00 . A A . 15 CYS CA 1 1 15 4802 1 1 15 CYS CB C 4.315 0.942 -1.925 1.00 . A A . 15 CYS CB 1 1 15 4803 1 1 15 CYS H H 2.693 -0.589 -0.584 1.00 . A A . 15 CYS H 1 1 15 4804 1 1 15 CYS HA H 5.368 -0.916 -1.746 1.00 . A A . 15 CYS HA 1 1 15 4805 1 1 15 CYS HB2 H 3.243 1.026 -1.884 1.00 . A A . 15 CYS HB2 1 1 15 4806 1 1 15 CYS HB3 H 4.759 1.830 -1.505 1.00 . A A . 15 CYS HB3 1 1 15 4807 1 1 15 CYS N N 3.560 -1.041 -0.661 1.00 . A A . 15 CYS N 1 1 15 4808 1 1 15 CYS O O 6.358 1.120 -0.011 1.00 . A A . 15 CYS O 1 1 15 4809 1 1 15 CYS SG S 4.844 0.757 -3.645 1.00 . A A . 15 CYS SG 1 1 15 4810 1 1 16 HIS C C 5.619 1.208 3.047 1.00 . A A . 16 HIS C 1 1 15 4811 1 1 16 HIS CA C 6.237 -0.046 2.418 1.00 . A A . 16 HIS CA 1 1 15 4812 1 1 16 HIS CB C 7.678 0.255 2.000 1.00 . A A . 16 HIS CB 1 1 15 4813 1 1 16 HIS CD2 C 8.697 -1.807 3.273 1.00 . A A . 16 HIS CD2 1 1 15 4814 1 1 16 HIS CE1 C 10.327 -0.786 4.270 1.00 . A A . 16 HIS CE1 1 1 15 4815 1 1 16 HIS CG C 8.626 -0.487 2.902 1.00 . A A . 16 HIS CG 1 1 15 4816 1 1 16 HIS H H 4.826 -1.209 1.282 1.00 . A A . 16 HIS H 1 1 15 4817 1 1 16 HIS HA H 6.237 -0.850 3.140 1.00 . A A . 16 HIS HA 1 1 15 4818 1 1 16 HIS HB2 H 7.830 -0.062 0.979 1.00 . A A . 16 HIS HB2 1 1 15 4819 1 1 16 HIS HB3 H 7.862 1.316 2.079 1.00 . A A . 16 HIS HB3 1 1 15 4820 1 1 16 HIS HD1 H 9.903 1.097 3.493 1.00 . A A . 16 HIS HD1 1 1 15 4821 1 1 16 HIS HD2 H 8.020 -2.583 2.945 1.00 . A A . 16 HIS HD2 1 1 15 4822 1 1 16 HIS HE1 H 11.194 -0.582 4.883 1.00 . A A . 16 HIS HE1 1 1 15 4823 1 1 16 HIS N N 5.447 -0.456 1.219 1.00 . A A . 16 HIS N 1 1 15 4824 1 1 16 HIS ND1 N 9.676 0.145 3.550 1.00 . A A . 16 HIS ND1 1 1 15 4825 1 1 16 HIS NE2 N 9.772 -1.993 4.138 1.00 . A A . 16 HIS NE2 1 1 15 4826 1 1 16 HIS O O 6.318 2.115 3.449 1.00 . A A . 16 HIS O 1 1 15 4827 1 1 17 LEU C C 3.069 2.118 5.086 1.00 . A A . 17 LEU C 1 1 15 4828 1 1 17 LEU CA C 3.668 2.469 3.722 1.00 . A A . 17 LEU CA 1 1 15 4829 1 1 17 LEU CB C 2.559 2.932 2.791 1.00 . A A . 17 LEU CB 1 1 15 4830 1 1 17 LEU CD1 C 3.390 2.678 0.447 1.00 . A A . 17 LEU CD1 1 1 15 4831 1 1 17 LEU CD2 C 2.218 4.775 1.138 1.00 . A A . 17 LEU CD2 1 1 15 4832 1 1 17 LEU CG C 3.167 3.665 1.595 1.00 . A A . 17 LEU CG 1 1 15 4833 1 1 17 LEU H H 3.760 0.545 2.796 1.00 . A A . 17 LEU H 1 1 15 4834 1 1 17 LEU HA H 4.397 3.258 3.837 1.00 . A A . 17 LEU HA 1 1 15 4835 1 1 17 LEU HB2 H 1.998 2.079 2.450 1.00 . A A . 17 LEU HB2 1 1 15 4836 1 1 17 LEU HB3 H 1.910 3.589 3.323 1.00 . A A . 17 LEU HB3 1 1 15 4837 1 1 17 LEU HD11 H 4.341 2.883 -0.021 1.00 . A A . 17 LEU HD11 1 1 15 4838 1 1 17 LEU HD12 H 2.599 2.788 -0.280 1.00 . A A . 17 LEU HD12 1 1 15 4839 1 1 17 LEU HD13 H 3.389 1.670 0.834 1.00 . A A . 17 LEU HD13 1 1 15 4840 1 1 17 LEU HD21 H 1.891 4.577 0.128 1.00 . A A . 17 LEU HD21 1 1 15 4841 1 1 17 LEU HD22 H 2.732 5.725 1.171 1.00 . A A . 17 LEU HD22 1 1 15 4842 1 1 17 LEU HD23 H 1.361 4.809 1.795 1.00 . A A . 17 LEU HD23 1 1 15 4843 1 1 17 LEU HG H 4.114 4.095 1.883 1.00 . A A . 17 LEU HG 1 1 15 4844 1 1 17 LEU N N 4.315 1.274 3.130 1.00 . A A . 17 LEU N 1 1 15 4845 1 1 17 LEU O O 1.872 2.183 5.284 1.00 . A A . 17 LEU O 1 1 15 4846 1 1 18 ASP C C 2.094 0.596 7.274 1.00 . A A . 18 ASP C 1 1 15 4847 1 1 18 ASP CA C 3.390 1.408 7.386 1.00 . A A . 18 ASP CA 1 1 15 4848 1 1 18 ASP CB C 3.117 2.695 8.168 1.00 . A A . 18 ASP CB 1 1 15 4849 1 1 18 ASP CG C 2.330 2.367 9.438 1.00 . A A . 18 ASP CG 1 1 15 4850 1 1 18 ASP H H 4.852 1.724 5.839 1.00 . A A . 18 ASP H 1 1 15 4851 1 1 18 ASP HA H 4.137 0.826 7.908 1.00 . A A . 18 ASP HA 1 1 15 4852 1 1 18 ASP HB2 H 4.055 3.159 8.434 1.00 . A A . 18 ASP HB2 1 1 15 4853 1 1 18 ASP HB3 H 2.542 3.372 7.554 1.00 . A A . 18 ASP HB3 1 1 15 4854 1 1 18 ASP N N 3.895 1.757 6.026 1.00 . A A . 18 ASP N 1 1 15 4855 1 1 18 ASP O O 1.014 1.107 7.493 1.00 . A A . 18 ASP O 1 1 15 4856 1 1 18 ASP OD1 O 2.349 1.217 9.843 1.00 . A A . 18 ASP OD1 1 1 15 4857 1 1 18 ASP OD2 O 1.721 3.272 9.984 1.00 . A A . 18 ASP OD2 1 1 15 4858 1 1 19 ILE C C 0.240 -1.535 8.172 1.00 . A A . 19 ILE C 1 1 15 4859 1 1 19 ILE CA C 0.955 -1.490 6.818 1.00 . A A . 19 ILE CA 1 1 15 4860 1 1 19 ILE CB C 1.335 -2.915 6.377 1.00 . A A . 19 ILE CB 1 1 15 4861 1 1 19 ILE CD1 C 2.026 -5.191 7.156 1.00 . A A . 19 ILE CD1 1 1 15 4862 1 1 19 ILE CG1 C 1.764 -3.750 7.591 1.00 . A A . 19 ILE CG1 1 1 15 4863 1 1 19 ILE CG2 C 2.490 -2.850 5.378 1.00 . A A . 19 ILE CG2 1 1 15 4864 1 1 19 ILE H H 3.062 -1.067 6.764 1.00 . A A . 19 ILE H 1 1 15 4865 1 1 19 ILE HA H 0.299 -1.050 6.083 1.00 . A A . 19 ILE HA 1 1 15 4866 1 1 19 ILE HB H 0.485 -3.379 5.903 1.00 . A A . 19 ILE HB 1 1 15 4867 1 1 19 ILE HD11 H 1.488 -5.395 6.241 1.00 . A A . 19 ILE HD11 1 1 15 4868 1 1 19 ILE HD12 H 1.688 -5.865 7.929 1.00 . A A . 19 ILE HD12 1 1 15 4869 1 1 19 ILE HD13 H 3.083 -5.332 6.992 1.00 . A A . 19 ILE HD13 1 1 15 4870 1 1 19 ILE HG12 H 2.666 -3.332 8.015 1.00 . A A . 19 ILE HG12 1 1 15 4871 1 1 19 ILE HG13 H 0.979 -3.741 8.330 1.00 . A A . 19 ILE HG13 1 1 15 4872 1 1 19 ILE HG21 H 3.402 -3.160 5.863 1.00 . A A . 19 ILE HG21 1 1 15 4873 1 1 19 ILE HG22 H 2.598 -1.838 5.018 1.00 . A A . 19 ILE HG22 1 1 15 4874 1 1 19 ILE HG23 H 2.283 -3.508 4.546 1.00 . A A . 19 ILE HG23 1 1 15 4875 1 1 19 ILE N N 2.187 -0.664 6.937 1.00 . A A . 19 ILE N 1 1 15 4876 1 1 19 ILE O O 0.831 -1.861 9.184 1.00 . A A . 19 ILE O 1 1 15 4877 1 1 20 ILE C C -2.846 -2.310 9.458 1.00 . A A . 20 ILE C 1 1 15 4878 1 1 20 ILE CA C -1.748 -1.250 9.511 1.00 . A A . 20 ILE CA 1 1 15 4879 1 1 20 ILE CB C -2.367 0.119 9.797 1.00 . A A . 20 ILE CB 1 1 15 4880 1 1 20 ILE CD1 C -0.363 0.504 11.244 1.00 . A A . 20 ILE CD1 1 1 15 4881 1 1 20 ILE CG1 C -1.261 1.110 10.164 1.00 . A A . 20 ILE CG1 1 1 15 4882 1 1 20 ILE CG2 C -3.352 0.004 10.962 1.00 . A A . 20 ILE CG2 1 1 15 4883 1 1 20 ILE H H -1.491 -0.944 7.385 1.00 . A A . 20 ILE H 1 1 15 4884 1 1 20 ILE HA H -1.054 -1.503 10.300 1.00 . A A . 20 ILE HA 1 1 15 4885 1 1 20 ILE HB H -2.889 0.467 8.918 1.00 . A A . 20 ILE HB 1 1 15 4886 1 1 20 ILE HD11 H -0.923 -0.225 11.811 1.00 . A A . 20 ILE HD11 1 1 15 4887 1 1 20 ILE HD12 H -0.017 1.285 11.904 1.00 . A A . 20 ILE HD12 1 1 15 4888 1 1 20 ILE HD13 H 0.486 0.023 10.780 1.00 . A A . 20 ILE HD13 1 1 15 4889 1 1 20 ILE HG12 H -0.671 1.332 9.287 1.00 . A A . 20 ILE HG12 1 1 15 4890 1 1 20 ILE HG13 H -1.706 2.015 10.538 1.00 . A A . 20 ILE HG13 1 1 15 4891 1 1 20 ILE HG21 H -4.347 0.239 10.617 1.00 . A A . 20 ILE HG21 1 1 15 4892 1 1 20 ILE HG22 H -3.068 0.694 11.743 1.00 . A A . 20 ILE HG22 1 1 15 4893 1 1 20 ILE HG23 H -3.335 -1.005 11.350 1.00 . A A . 20 ILE HG23 1 1 15 4894 1 1 20 ILE N N -1.022 -1.211 8.210 1.00 . A A . 20 ILE N 1 1 15 4895 1 1 20 ILE O O -4.010 -2.007 9.284 1.00 . A A . 20 ILE O 1 1 15 4896 1 1 21 TRP C C -4.593 -4.351 10.615 1.00 . A A . 21 TRP C 1 1 15 4897 1 1 21 TRP CA C -3.510 -4.634 9.572 1.00 . A A . 21 TRP CA 1 1 15 4898 1 1 21 TRP CB C -2.882 -6.010 9.857 1.00 . A A . 21 TRP CB 1 1 15 4899 1 1 21 TRP CD1 C -0.602 -6.782 10.618 1.00 . A A . 21 TRP CD1 1 1 15 4900 1 1 21 TRP CD2 C -1.243 -4.902 11.676 1.00 . A A . 21 TRP CD2 1 1 15 4901 1 1 21 TRP CE2 C 0.038 -5.238 12.177 1.00 . A A . 21 TRP CE2 1 1 15 4902 1 1 21 TRP CE3 C -1.868 -3.751 12.187 1.00 . A A . 21 TRP CE3 1 1 15 4903 1 1 21 TRP CG C -1.627 -5.900 10.678 1.00 . A A . 21 TRP CG 1 1 15 4904 1 1 21 TRP CH2 C 0.035 -3.323 13.643 1.00 . A A . 21 TRP CH2 1 1 15 4905 1 1 21 TRP CZ2 C 0.672 -4.462 13.148 1.00 . A A . 21 TRP CZ2 1 1 15 4906 1 1 21 TRP CZ3 C -1.232 -2.967 13.163 1.00 . A A . 21 TRP CZ3 1 1 15 4907 1 1 21 TRP H H -1.539 -3.767 9.749 1.00 . A A . 21 TRP H 1 1 15 4908 1 1 21 TRP HA H -3.964 -4.650 8.591 1.00 . A A . 21 TRP HA 1 1 15 4909 1 1 21 TRP HB2 H -3.596 -6.617 10.392 1.00 . A A . 21 TRP HB2 1 1 15 4910 1 1 21 TRP HB3 H -2.650 -6.490 8.917 1.00 . A A . 21 TRP HB3 1 1 15 4911 1 1 21 TRP HD1 H -0.562 -7.652 9.980 1.00 . A A . 21 TRP HD1 1 1 15 4912 1 1 21 TRP HE1 H 1.232 -6.858 11.646 1.00 . A A . 21 TRP HE1 1 1 15 4913 1 1 21 TRP HE3 H -2.840 -3.464 11.823 1.00 . A A . 21 TRP HE3 1 1 15 4914 1 1 21 TRP HH2 H 0.519 -2.716 14.395 1.00 . A A . 21 TRP HH2 1 1 15 4915 1 1 21 TRP HZ2 H 1.650 -4.742 13.512 1.00 . A A . 21 TRP HZ2 1 1 15 4916 1 1 21 TRP HZ3 H -1.723 -2.085 13.548 1.00 . A A . 21 TRP HZ3 1 1 15 4917 1 1 21 TRP N N -2.483 -3.553 9.611 1.00 . A A . 21 TRP N 1 1 15 4918 1 1 21 TRP NE1 N 0.384 -6.389 11.502 1.00 . A A . 21 TRP NE1 1 1 15 4919 1 1 21 TRP O O -4.487 -4.879 11.710 1.00 . A A . 21 TRP O 1 1 15 4920 1 1 21 TRP OXT O -5.510 -3.611 10.300 1.00 . A A . 21 TRP OXT 1 1 16 4921 1 1 1 CYS C C 6.062 -2.727 -5.100 1.00 . A A . 1 CYS C 1 1 16 4922 1 1 1 CYS CA C 6.804 -2.267 -3.843 1.00 . A A . 1 CYS CA 1 1 16 4923 1 1 1 CYS CB C 6.833 -0.737 -3.797 1.00 . A A . 1 CYS CB 1 1 16 4924 1 1 1 CYS H1 H 8.289 -3.502 -4.623 1.00 . A A . 1 CYS H1 1 1 16 4925 1 1 1 CYS H2 H 8.426 -3.224 -2.953 1.00 . A A . 1 CYS H2 1 1 16 4926 1 1 1 CYS H3 H 8.859 -2.008 -4.057 1.00 . A A . 1 CYS H3 1 1 16 4927 1 1 1 CYS HA H 6.296 -2.644 -2.967 1.00 . A A . 1 CYS HA 1 1 16 4928 1 1 1 CYS HB2 H 7.190 -0.412 -2.832 1.00 . A A . 1 CYS HB2 1 1 16 4929 1 1 1 CYS HB3 H 7.493 -0.367 -4.569 1.00 . A A . 1 CYS HB3 1 1 16 4930 1 1 1 CYS N N 8.199 -2.789 -3.871 1.00 . A A . 1 CYS N 1 1 16 4931 1 1 1 CYS O O 6.660 -2.996 -6.122 1.00 . A A . 1 CYS O 1 1 16 4932 1 1 1 CYS SG S 5.164 -0.091 -4.071 1.00 . A A . 1 CYS SG 1 1 16 4933 1 1 2 SER C C 2.486 -3.211 -5.901 1.00 . A A . 2 SER C 1 1 16 4934 1 1 2 SER CA C 3.982 -3.255 -6.223 1.00 . A A . 2 SER CA 1 1 16 4935 1 1 2 SER CB C 4.382 -4.682 -6.596 1.00 . A A . 2 SER CB 1 1 16 4936 1 1 2 SER H H 4.298 -2.592 -4.197 1.00 . A A . 2 SER H 1 1 16 4937 1 1 2 SER HA H 4.191 -2.595 -7.051 1.00 . A A . 2 SER HA 1 1 16 4938 1 1 2 SER HB2 H 4.075 -4.891 -7.607 1.00 . A A . 2 SER HB2 1 1 16 4939 1 1 2 SER HB3 H 5.456 -4.785 -6.519 1.00 . A A . 2 SER HB3 1 1 16 4940 1 1 2 SER HG H 3.281 -6.248 -6.246 1.00 . A A . 2 SER HG 1 1 16 4941 1 1 2 SER N N 4.761 -2.816 -5.031 1.00 . A A . 2 SER N 1 1 16 4942 1 1 2 SER O O 1.943 -4.116 -5.299 1.00 . A A . 2 SER O 1 1 16 4943 1 1 2 SER OG O 3.742 -5.595 -5.714 1.00 . A A . 2 SER OG 1 1 16 4944 1 1 3 CYS C C -0.359 -1.543 -7.278 1.00 . A A . 3 CYS C 1 1 16 4945 1 1 3 CYS CA C 0.353 -2.068 -6.025 1.00 . A A . 3 CYS CA 1 1 16 4946 1 1 3 CYS CB C 0.120 -1.109 -4.848 1.00 . A A . 3 CYS CB 1 1 16 4947 1 1 3 CYS H H 2.269 -1.449 -6.791 1.00 . A A . 3 CYS H 1 1 16 4948 1 1 3 CYS HA H -0.027 -3.047 -5.774 1.00 . A A . 3 CYS HA 1 1 16 4949 1 1 3 CYS HB2 H 0.372 -1.607 -3.925 1.00 . A A . 3 CYS HB2 1 1 16 4950 1 1 3 CYS HB3 H 0.743 -0.234 -4.966 1.00 . A A . 3 CYS HB3 1 1 16 4951 1 1 3 CYS N N 1.813 -2.167 -6.303 1.00 . A A . 3 CYS N 1 1 16 4952 1 1 3 CYS O O 0.253 -0.962 -8.152 1.00 . A A . 3 CYS O 1 1 16 4953 1 1 3 CYS SG S -1.618 -0.607 -4.783 1.00 . A A . 3 CYS SG 1 1 16 4954 1 1 4 SER C C -2.220 0.276 -8.665 1.00 . A A . 4 SER C 1 1 16 4955 1 1 4 SER CA C -2.391 -1.239 -8.563 1.00 . A A . 4 SER CA 1 1 16 4956 1 1 4 SER CB C -3.875 -1.578 -8.419 1.00 . A A . 4 SER CB 1 1 16 4957 1 1 4 SER H H -2.127 -2.200 -6.653 1.00 . A A . 4 SER H 1 1 16 4958 1 1 4 SER HA H -1.998 -1.705 -9.451 1.00 . A A . 4 SER HA 1 1 16 4959 1 1 4 SER HB2 H -4.043 -2.600 -8.715 1.00 . A A . 4 SER HB2 1 1 16 4960 1 1 4 SER HB3 H -4.173 -1.452 -7.386 1.00 . A A . 4 SER HB3 1 1 16 4961 1 1 4 SER HG H -4.100 -0.497 -10.021 1.00 . A A . 4 SER HG 1 1 16 4962 1 1 4 SER N N -1.647 -1.735 -7.370 1.00 . A A . 4 SER N 1 1 16 4963 1 1 4 SER O O -1.752 0.795 -9.659 1.00 . A A . 4 SER O 1 1 16 4964 1 1 4 SER OG O -4.635 -0.717 -9.255 1.00 . A A . 4 SER OG 1 1 16 4965 1 1 5 SER C C -1.854 2.926 -6.318 1.00 . A A . 5 SER C 1 1 16 4966 1 1 5 SER CA C -2.445 2.466 -7.661 1.00 . A A . 5 SER CA 1 1 16 4967 1 1 5 SER CB C -3.820 3.109 -7.885 1.00 . A A . 5 SER CB 1 1 16 4968 1 1 5 SER H H -2.958 0.541 -6.848 1.00 . A A . 5 SER H 1 1 16 4969 1 1 5 SER HA H -1.783 2.742 -8.470 1.00 . A A . 5 SER HA 1 1 16 4970 1 1 5 SER HB2 H -3.812 3.665 -8.808 1.00 . A A . 5 SER HB2 1 1 16 4971 1 1 5 SER HB3 H -4.572 2.334 -7.945 1.00 . A A . 5 SER HB3 1 1 16 4972 1 1 5 SER HG H -4.377 3.462 -6.053 1.00 . A A . 5 SER HG 1 1 16 4973 1 1 5 SER N N -2.590 0.985 -7.639 1.00 . A A . 5 SER N 1 1 16 4974 1 1 5 SER O O -2.419 2.687 -5.269 1.00 . A A . 5 SER O 1 1 16 4975 1 1 5 SER OG O -4.115 3.992 -6.810 1.00 . A A . 5 SER OG 1 1 16 4976 1 1 6 LEU C C -1.001 4.917 -4.244 1.00 . A A . 6 LEU C 1 1 16 4977 1 1 6 LEU CA C -0.066 4.001 -5.058 1.00 . A A . 6 LEU CA 1 1 16 4978 1 1 6 LEU CB C 1.234 4.753 -5.366 1.00 . A A . 6 LEU CB 1 1 16 4979 1 1 6 LEU CD1 C 2.345 2.803 -6.474 1.00 . A A . 6 LEU CD1 1 1 16 4980 1 1 6 LEU CD2 C 3.724 4.555 -5.345 1.00 . A A . 6 LEU CD2 1 1 16 4981 1 1 6 LEU CG C 2.408 3.775 -5.294 1.00 . A A . 6 LEU CG 1 1 16 4982 1 1 6 LEU H H -0.255 3.721 -7.192 1.00 . A A . 6 LEU H 1 1 16 4983 1 1 6 LEU HA H 0.174 3.128 -4.466 1.00 . A A . 6 LEU HA 1 1 16 4984 1 1 6 LEU HB2 H 1.184 5.188 -6.353 1.00 . A A . 6 LEU HB2 1 1 16 4985 1 1 6 LEU HB3 H 1.377 5.535 -4.636 1.00 . A A . 6 LEU HB3 1 1 16 4986 1 1 6 LEU HD11 H 3.167 2.104 -6.408 1.00 . A A . 6 LEU HD11 1 1 16 4987 1 1 6 LEU HD12 H 2.414 3.354 -7.399 1.00 . A A . 6 LEU HD12 1 1 16 4988 1 1 6 LEU HD13 H 1.411 2.262 -6.445 1.00 . A A . 6 LEU HD13 1 1 16 4989 1 1 6 LEU HD21 H 4.454 3.992 -5.907 1.00 . A A . 6 LEU HD21 1 1 16 4990 1 1 6 LEU HD22 H 4.088 4.714 -4.340 1.00 . A A . 6 LEU HD22 1 1 16 4991 1 1 6 LEU HD23 H 3.559 5.510 -5.823 1.00 . A A . 6 LEU HD23 1 1 16 4992 1 1 6 LEU HG H 2.352 3.219 -4.370 1.00 . A A . 6 LEU HG 1 1 16 4993 1 1 6 LEU N N -0.708 3.557 -6.337 1.00 . A A . 6 LEU N 1 1 16 4994 1 1 6 LEU O O -0.758 5.168 -3.081 1.00 . A A . 6 LEU O 1 1 16 4995 1 1 7 MET C C -4.008 5.526 -3.287 1.00 . A A . 7 MET C 1 1 16 4996 1 1 7 MET CA C -2.959 6.338 -4.061 1.00 . A A . 7 MET CA 1 1 16 4997 1 1 7 MET CB C -3.662 7.296 -5.030 1.00 . A A . 7 MET CB 1 1 16 4998 1 1 7 MET CE C -3.781 10.468 -3.622 1.00 . A A . 7 MET CE 1 1 16 4999 1 1 7 MET CG C -4.784 8.038 -4.298 1.00 . A A . 7 MET CG 1 1 16 5000 1 1 7 MET H H -2.237 5.242 -5.769 1.00 . A A . 7 MET H 1 1 16 5001 1 1 7 MET HA H -2.371 6.913 -3.362 1.00 . A A . 7 MET HA 1 1 16 5002 1 1 7 MET HB2 H -2.948 8.012 -5.409 1.00 . A A . 7 MET HB2 1 1 16 5003 1 1 7 MET HB3 H -4.082 6.737 -5.853 1.00 . A A . 7 MET HB3 1 1 16 5004 1 1 7 MET HE1 H -4.269 11.325 -3.179 1.00 . A A . 7 MET HE1 1 1 16 5005 1 1 7 MET HE2 H -2.853 10.780 -4.075 1.00 . A A . 7 MET HE2 1 1 16 5006 1 1 7 MET HE3 H -3.577 9.728 -2.861 1.00 . A A . 7 MET HE3 1 1 16 5007 1 1 7 MET HG2 H -5.728 7.549 -4.494 1.00 . A A . 7 MET HG2 1 1 16 5008 1 1 7 MET HG3 H -4.589 8.030 -3.236 1.00 . A A . 7 MET HG3 1 1 16 5009 1 1 7 MET N N -2.052 5.433 -4.830 1.00 . A A . 7 MET N 1 1 16 5010 1 1 7 MET O O -4.763 6.068 -2.505 1.00 . A A . 7 MET O 1 1 16 5011 1 1 7 MET SD S -4.859 9.748 -4.884 1.00 . A A . 7 MET SD 1 1 16 5012 1 1 8 ASP C C -4.813 3.518 -1.246 1.00 . A A . 8 ASP C 1 1 16 5013 1 1 8 ASP CA C -5.073 3.416 -2.752 1.00 . A A . 8 ASP CA 1 1 16 5014 1 1 8 ASP CB C -4.970 1.949 -3.184 1.00 . A A . 8 ASP CB 1 1 16 5015 1 1 8 ASP CG C -6.348 1.291 -3.092 1.00 . A A . 8 ASP CG 1 1 16 5016 1 1 8 ASP H H -3.454 3.810 -4.120 1.00 . A A . 8 ASP H 1 1 16 5017 1 1 8 ASP HA H -6.064 3.785 -2.970 1.00 . A A . 8 ASP HA 1 1 16 5018 1 1 8 ASP HB2 H -4.614 1.893 -4.200 1.00 . A A . 8 ASP HB2 1 1 16 5019 1 1 8 ASP HB3 H -4.282 1.429 -2.533 1.00 . A A . 8 ASP HB3 1 1 16 5020 1 1 8 ASP N N -4.066 4.236 -3.490 1.00 . A A . 8 ASP N 1 1 16 5021 1 1 8 ASP O O -4.157 4.428 -0.780 1.00 . A A . 8 ASP O 1 1 16 5022 1 1 8 ASP OD1 O -7.284 1.973 -2.709 1.00 . A A . 8 ASP OD1 1 1 16 5023 1 1 8 ASP OD2 O -6.445 0.117 -3.407 1.00 . A A . 8 ASP OD2 1 1 16 5024 1 1 9 LYS C C -4.396 1.340 1.451 1.00 . A A . 9 LYS C 1 1 16 5025 1 1 9 LYS CA C -5.105 2.628 0.993 1.00 . A A . 9 LYS CA 1 1 16 5026 1 1 9 LYS CB C -6.456 2.770 1.713 1.00 . A A . 9 LYS CB 1 1 16 5027 1 1 9 LYS CD C -6.633 5.160 0.903 1.00 . A A . 9 LYS CD 1 1 16 5028 1 1 9 LYS CE C -5.895 5.447 2.214 1.00 . A A . 9 LYS CE 1 1 16 5029 1 1 9 LYS CG C -7.342 3.801 0.986 1.00 . A A . 9 LYS CG 1 1 16 5030 1 1 9 LYS H H -5.846 1.865 -0.886 1.00 . A A . 9 LYS H 1 1 16 5031 1 1 9 LYS HA H -4.480 3.474 1.238 1.00 . A A . 9 LYS HA 1 1 16 5032 1 1 9 LYS HB2 H -6.957 1.815 1.727 1.00 . A A . 9 LYS HB2 1 1 16 5033 1 1 9 LYS HB3 H -6.286 3.101 2.727 1.00 . A A . 9 LYS HB3 1 1 16 5034 1 1 9 LYS HD2 H -5.929 5.150 0.086 1.00 . A A . 9 LYS HD2 1 1 16 5035 1 1 9 LYS HD3 H -7.368 5.936 0.732 1.00 . A A . 9 LYS HD3 1 1 16 5036 1 1 9 LYS HE2 H -6.406 4.958 3.030 1.00 . A A . 9 LYS HE2 1 1 16 5037 1 1 9 LYS HE3 H -4.883 5.073 2.148 1.00 . A A . 9 LYS HE3 1 1 16 5038 1 1 9 LYS HG2 H -7.554 3.449 -0.013 1.00 . A A . 9 LYS HG2 1 1 16 5039 1 1 9 LYS HG3 H -8.272 3.921 1.526 1.00 . A A . 9 LYS HG3 1 1 16 5040 1 1 9 LYS HZ1 H -6.674 7.186 3.053 1.00 . A A . 9 LYS HZ1 1 1 16 5041 1 1 9 LYS HZ2 H -5.922 7.419 1.547 1.00 . A A . 9 LYS HZ2 1 1 16 5042 1 1 9 LYS HZ3 H -4.982 7.171 2.941 1.00 . A A . 9 LYS HZ3 1 1 16 5043 1 1 9 LYS N N -5.322 2.588 -0.484 1.00 . A A . 9 LYS N 1 1 16 5044 1 1 9 LYS NZ N -5.866 6.917 2.457 1.00 . A A . 9 LYS NZ 1 1 16 5045 1 1 9 LYS O O -3.216 1.348 1.739 1.00 . A A . 9 LYS O 1 1 16 5046 1 1 10 GLU C C -3.487 -1.523 0.893 1.00 . A A . 10 GLU C 1 1 16 5047 1 1 10 GLU CA C -4.446 -1.030 1.969 1.00 . A A . 10 GLU CA 1 1 16 5048 1 1 10 GLU CB C -5.517 -2.091 2.204 1.00 . A A . 10 GLU CB 1 1 16 5049 1 1 10 GLU CD C -6.907 -3.206 3.949 1.00 . A A . 10 GLU CD 1 1 16 5050 1 1 10 GLU CG C -5.858 -2.125 3.686 1.00 . A A . 10 GLU CG 1 1 16 5051 1 1 10 GLU H H -6.041 0.235 1.303 1.00 . A A . 10 GLU H 1 1 16 5052 1 1 10 GLU HA H -3.902 -0.856 2.884 1.00 . A A . 10 GLU HA 1 1 16 5053 1 1 10 GLU HB2 H -6.401 -1.845 1.633 1.00 . A A . 10 GLU HB2 1 1 16 5054 1 1 10 GLU HB3 H -5.144 -3.057 1.898 1.00 . A A . 10 GLU HB3 1 1 16 5055 1 1 10 GLU HG2 H -4.962 -2.341 4.249 1.00 . A A . 10 GLU HG2 1 1 16 5056 1 1 10 GLU HG3 H -6.247 -1.164 3.981 1.00 . A A . 10 GLU HG3 1 1 16 5057 1 1 10 GLU N N -5.094 0.235 1.528 1.00 . A A . 10 GLU N 1 1 16 5058 1 1 10 GLU O O -2.467 -2.116 1.180 1.00 . A A . 10 GLU O 1 1 16 5059 1 1 10 GLU OE1 O -6.557 -4.373 3.884 1.00 . A A . 10 GLU OE1 1 1 16 5060 1 1 10 GLU OE2 O -8.044 -2.848 4.212 1.00 . A A . 10 GLU OE2 1 1 16 5061 1 1 11 CYS C C -1.663 -0.823 -1.428 1.00 . A A . 11 CYS C 1 1 16 5062 1 1 11 CYS CA C -2.896 -1.723 -1.430 1.00 . A A . 11 CYS CA 1 1 16 5063 1 1 11 CYS CB C -3.627 -1.615 -2.771 1.00 . A A . 11 CYS CB 1 1 16 5064 1 1 11 CYS H H -4.617 -0.783 -0.556 1.00 . A A . 11 CYS H 1 1 16 5065 1 1 11 CYS HA H -2.602 -2.745 -1.252 1.00 . A A . 11 CYS HA 1 1 16 5066 1 1 11 CYS HB2 H -4.537 -2.195 -2.732 1.00 . A A . 11 CYS HB2 1 1 16 5067 1 1 11 CYS HB3 H -3.867 -0.581 -2.967 1.00 . A A . 11 CYS HB3 1 1 16 5068 1 1 11 CYS N N -3.799 -1.275 -0.344 1.00 . A A . 11 CYS N 1 1 16 5069 1 1 11 CYS O O -0.672 -1.091 -2.080 1.00 . A A . 11 CYS O 1 1 16 5070 1 1 11 CYS SG S -2.568 -2.248 -4.093 1.00 . A A . 11 CYS SG 1 1 16 5071 1 1 12 VAL C C 0.433 0.719 0.415 1.00 . A A . 12 VAL C 1 1 16 5072 1 1 12 VAL CA C -0.595 1.201 -0.620 1.00 . A A . 12 VAL CA 1 1 16 5073 1 1 12 VAL CB C -1.156 2.564 -0.215 1.00 . A A . 12 VAL CB 1 1 16 5074 1 1 12 VAL CG1 C -0.041 3.457 0.299 1.00 . A A . 12 VAL CG1 1 1 16 5075 1 1 12 VAL CG2 C -1.814 3.215 -1.429 1.00 . A A . 12 VAL CG2 1 1 16 5076 1 1 12 VAL H H -2.549 0.441 -0.188 1.00 . A A . 12 VAL H 1 1 16 5077 1 1 12 VAL HA H -0.123 1.280 -1.583 1.00 . A A . 12 VAL HA 1 1 16 5078 1 1 12 VAL HB H -1.890 2.435 0.562 1.00 . A A . 12 VAL HB 1 1 16 5079 1 1 12 VAL HG11 H 0.730 3.534 -0.451 1.00 . A A . 12 VAL HG11 1 1 16 5080 1 1 12 VAL HG12 H 0.371 3.028 1.201 1.00 . A A . 12 VAL HG12 1 1 16 5081 1 1 12 VAL HG13 H -0.440 4.437 0.513 1.00 . A A . 12 VAL HG13 1 1 16 5082 1 1 12 VAL HG21 H -2.104 4.226 -1.184 1.00 . A A . 12 VAL HG21 1 1 16 5083 1 1 12 VAL HG22 H -2.689 2.647 -1.709 1.00 . A A . 12 VAL HG22 1 1 16 5084 1 1 12 VAL HG23 H -1.116 3.229 -2.253 1.00 . A A . 12 VAL HG23 1 1 16 5085 1 1 12 VAL N N -1.732 0.251 -0.693 1.00 . A A . 12 VAL N 1 1 16 5086 1 1 12 VAL O O 1.618 0.932 0.263 1.00 . A A . 12 VAL O 1 1 16 5087 1 1 13 TYR C C 2.085 -1.194 1.841 1.00 . A A . 13 TYR C 1 1 16 5088 1 1 13 TYR CA C 0.953 -0.406 2.499 1.00 . A A . 13 TYR CA 1 1 16 5089 1 1 13 TYR CB C 0.215 -1.317 3.481 1.00 . A A . 13 TYR CB 1 1 16 5090 1 1 13 TYR CD1 C -1.004 0.809 4.081 1.00 . A A . 13 TYR CD1 1 1 16 5091 1 1 13 TYR CD2 C -2.061 -1.321 4.561 1.00 . A A . 13 TYR CD2 1 1 16 5092 1 1 13 TYR CE1 C -2.111 1.479 4.616 1.00 . A A . 13 TYR CE1 1 1 16 5093 1 1 13 TYR CE2 C -3.168 -0.650 5.095 1.00 . A A . 13 TYR CE2 1 1 16 5094 1 1 13 TYR CG C -0.979 -0.591 4.054 1.00 . A A . 13 TYR CG 1 1 16 5095 1 1 13 TYR CZ C -3.192 0.750 5.123 1.00 . A A . 13 TYR CZ 1 1 16 5096 1 1 13 TYR H H -0.963 -0.087 1.576 1.00 . A A . 13 TYR H 1 1 16 5097 1 1 13 TYR HA H 1.363 0.437 3.032 1.00 . A A . 13 TYR HA 1 1 16 5098 1 1 13 TYR HB2 H -0.119 -2.205 2.964 1.00 . A A . 13 TYR HB2 1 1 16 5099 1 1 13 TYR HB3 H 0.882 -1.597 4.280 1.00 . A A . 13 TYR HB3 1 1 16 5100 1 1 13 TYR HD1 H -0.170 1.372 3.690 1.00 . A A . 13 TYR HD1 1 1 16 5101 1 1 13 TYR HD2 H -2.042 -2.400 4.539 1.00 . A A . 13 TYR HD2 1 1 16 5102 1 1 13 TYR HE1 H -2.131 2.558 4.637 1.00 . A A . 13 TYR HE1 1 1 16 5103 1 1 13 TYR HE2 H -4.002 -1.213 5.487 1.00 . A A . 13 TYR HE2 1 1 16 5104 1 1 13 TYR HH H -4.812 1.740 4.919 1.00 . A A . 13 TYR HH 1 1 16 5105 1 1 13 TYR N N -0.005 0.076 1.464 1.00 . A A . 13 TYR N 1 1 16 5106 1 1 13 TYR O O 3.172 -1.301 2.374 1.00 . A A . 13 TYR O 1 1 16 5107 1 1 13 TYR OH O -4.284 1.410 5.650 1.00 . A A . 13 TYR OH 1 1 16 5108 1 1 14 PHE C C 4.080 -1.662 -0.352 1.00 . A A . 14 PHE C 1 1 16 5109 1 1 14 PHE CA C 2.895 -2.558 0.015 1.00 . A A . 14 PHE CA 1 1 16 5110 1 1 14 PHE CB C 2.310 -3.194 -1.243 1.00 . A A . 14 PHE CB 1 1 16 5111 1 1 14 PHE CD1 C 0.822 -4.389 0.404 1.00 . A A . 14 PHE CD1 1 1 16 5112 1 1 14 PHE CD2 C -0.012 -3.984 -1.837 1.00 . A A . 14 PHE CD2 1 1 16 5113 1 1 14 PHE CE1 C -0.382 -5.015 0.741 1.00 . A A . 14 PHE CE1 1 1 16 5114 1 1 14 PHE CE2 C -1.217 -4.611 -1.500 1.00 . A A . 14 PHE CE2 1 1 16 5115 1 1 14 PHE CG C 1.008 -3.871 -0.885 1.00 . A A . 14 PHE CG 1 1 16 5116 1 1 14 PHE CZ C -1.402 -5.127 -0.210 1.00 . A A . 14 PHE CZ 1 1 16 5117 1 1 14 PHE H H 0.950 -1.676 0.287 1.00 . A A . 14 PHE H 1 1 16 5118 1 1 14 PHE HA H 3.232 -3.336 0.684 1.00 . A A . 14 PHE HA 1 1 16 5119 1 1 14 PHE HB2 H 2.130 -2.430 -1.985 1.00 . A A . 14 PHE HB2 1 1 16 5120 1 1 14 PHE HB3 H 3.001 -3.925 -1.636 1.00 . A A . 14 PHE HB3 1 1 16 5121 1 1 14 PHE HD1 H 1.609 -4.302 1.138 1.00 . A A . 14 PHE HD1 1 1 16 5122 1 1 14 PHE HD2 H 0.131 -3.586 -2.831 1.00 . A A . 14 PHE HD2 1 1 16 5123 1 1 14 PHE HE1 H -0.525 -5.412 1.735 1.00 . A A . 14 PHE HE1 1 1 16 5124 1 1 14 PHE HE2 H -2.004 -4.699 -2.234 1.00 . A A . 14 PHE HE2 1 1 16 5125 1 1 14 PHE HZ H -2.332 -5.611 0.050 1.00 . A A . 14 PHE HZ 1 1 16 5126 1 1 14 PHE N N 1.837 -1.762 0.695 1.00 . A A . 14 PHE N 1 1 16 5127 1 1 14 PHE O O 5.211 -2.103 -0.393 1.00 . A A . 14 PHE O 1 1 16 5128 1 1 15 CYS C C 5.657 1.018 0.299 1.00 . A A . 15 CYS C 1 1 16 5129 1 1 15 CYS CA C 4.958 0.511 -0.972 1.00 . A A . 15 CYS CA 1 1 16 5130 1 1 15 CYS CB C 4.408 1.702 -1.759 1.00 . A A . 15 CYS CB 1 1 16 5131 1 1 15 CYS H H 2.920 -0.068 -0.578 1.00 . A A . 15 CYS H 1 1 16 5132 1 1 15 CYS HA H 5.672 -0.021 -1.584 1.00 . A A . 15 CYS HA 1 1 16 5133 1 1 15 CYS HB2 H 3.347 1.573 -1.911 1.00 . A A . 15 CYS HB2 1 1 16 5134 1 1 15 CYS HB3 H 4.585 2.612 -1.206 1.00 . A A . 15 CYS HB3 1 1 16 5135 1 1 15 CYS N N 3.837 -0.406 -0.613 1.00 . A A . 15 CYS N 1 1 16 5136 1 1 15 CYS O O 6.309 2.043 0.283 1.00 . A A . 15 CYS O 1 1 16 5137 1 1 15 CYS SG S 5.240 1.799 -3.363 1.00 . A A . 15 CYS SG 1 1 16 5138 1 1 16 HIS C C 5.392 1.889 3.301 1.00 . A A . 16 HIS C 1 1 16 5139 1 1 16 HIS CA C 6.199 0.757 2.657 1.00 . A A . 16 HIS CA 1 1 16 5140 1 1 16 HIS CB C 7.610 1.256 2.340 1.00 . A A . 16 HIS CB 1 1 16 5141 1 1 16 HIS CD2 C 8.999 0.643 0.195 1.00 . A A . 16 HIS CD2 1 1 16 5142 1 1 16 HIS CE1 C 8.780 -1.511 0.284 1.00 . A A . 16 HIS CE1 1 1 16 5143 1 1 16 HIS CG C 8.237 0.365 1.303 1.00 . A A . 16 HIS CG 1 1 16 5144 1 1 16 HIS H H 5.007 -0.511 1.393 1.00 . A A . 16 HIS H 1 1 16 5145 1 1 16 HIS HA H 6.262 -0.076 3.342 1.00 . A A . 16 HIS HA 1 1 16 5146 1 1 16 HIS HB2 H 7.558 2.267 1.963 1.00 . A A . 16 HIS HB2 1 1 16 5147 1 1 16 HIS HB3 H 8.208 1.238 3.239 1.00 . A A . 16 HIS HB3 1 1 16 5148 1 1 16 HIS HD1 H 7.621 -1.533 2.013 1.00 . A A . 16 HIS HD1 1 1 16 5149 1 1 16 HIS HD2 H 9.289 1.631 -0.128 1.00 . A A . 16 HIS HD2 1 1 16 5150 1 1 16 HIS HE1 H 8.854 -2.564 0.054 1.00 . A A . 16 HIS HE1 1 1 16 5151 1 1 16 HIS N N 5.533 0.312 1.396 1.00 . A A . 16 HIS N 1 1 16 5152 1 1 16 HIS ND1 N 8.109 -1.014 1.340 1.00 . A A . 16 HIS ND1 1 1 16 5153 1 1 16 HIS NE2 N 9.340 -0.544 -0.447 1.00 . A A . 16 HIS NE2 1 1 16 5154 1 1 16 HIS O O 5.946 2.855 3.786 1.00 . A A . 16 HIS O 1 1 16 5155 1 1 17 LEU C C 2.648 2.378 5.218 1.00 . A A . 17 LEU C 1 1 16 5156 1 1 17 LEU CA C 3.260 2.861 3.899 1.00 . A A . 17 LEU CA 1 1 16 5157 1 1 17 LEU CB C 2.146 3.199 2.920 1.00 . A A . 17 LEU CB 1 1 16 5158 1 1 17 LEU CD1 C 3.809 4.857 2.035 1.00 . A A . 17 LEU CD1 1 1 16 5159 1 1 17 LEU CD2 C 3.354 2.751 0.775 1.00 . A A . 17 LEU CD2 1 1 16 5160 1 1 17 LEU CG C 2.733 3.838 1.655 1.00 . A A . 17 LEU CG 1 1 16 5161 1 1 17 LEU H H 3.650 1.019 2.899 1.00 . A A . 17 LEU H 1 1 16 5162 1 1 17 LEU HA H 3.866 3.735 4.076 1.00 . A A . 17 LEU HA 1 1 16 5163 1 1 17 LEU HB2 H 1.618 2.298 2.658 1.00 . A A . 17 LEU HB2 1 1 16 5164 1 1 17 LEU HB3 H 1.471 3.878 3.383 1.00 . A A . 17 LEU HB3 1 1 16 5165 1 1 17 LEU HD11 H 4.671 4.340 2.428 1.00 . A A . 17 LEU HD11 1 1 16 5166 1 1 17 LEU HD12 H 3.420 5.530 2.784 1.00 . A A . 17 LEU HD12 1 1 16 5167 1 1 17 LEU HD13 H 4.097 5.421 1.159 1.00 . A A . 17 LEU HD13 1 1 16 5168 1 1 17 LEU HD21 H 3.250 1.792 1.261 1.00 . A A . 17 LEU HD21 1 1 16 5169 1 1 17 LEU HD22 H 4.400 2.966 0.623 1.00 . A A . 17 LEU HD22 1 1 16 5170 1 1 17 LEU HD23 H 2.847 2.727 -0.179 1.00 . A A . 17 LEU HD23 1 1 16 5171 1 1 17 LEU HG H 1.948 4.339 1.109 1.00 . A A . 17 LEU HG 1 1 16 5172 1 1 17 LEU N N 4.088 1.790 3.301 1.00 . A A . 17 LEU N 1 1 16 5173 1 1 17 LEU O O 1.446 2.281 5.354 1.00 . A A . 17 LEU O 1 1 16 5174 1 1 18 ASP C C 1.773 0.663 7.301 1.00 . A A . 18 ASP C 1 1 16 5175 1 1 18 ASP CA C 2.951 1.622 7.506 1.00 . A A . 18 ASP CA 1 1 16 5176 1 1 18 ASP CB C 2.490 2.832 8.318 1.00 . A A . 18 ASP CB 1 1 16 5177 1 1 18 ASP CG C 1.304 3.500 7.617 1.00 . A A . 18 ASP CG 1 1 16 5178 1 1 18 ASP H H 4.429 2.184 6.055 1.00 . A A . 18 ASP H 1 1 16 5179 1 1 18 ASP HA H 3.740 1.115 8.043 1.00 . A A . 18 ASP HA 1 1 16 5180 1 1 18 ASP HB2 H 2.193 2.510 9.303 1.00 . A A . 18 ASP HB2 1 1 16 5181 1 1 18 ASP HB3 H 3.300 3.540 8.400 1.00 . A A . 18 ASP HB3 1 1 16 5182 1 1 18 ASP N N 3.469 2.087 6.189 1.00 . A A . 18 ASP N 1 1 16 5183 1 1 18 ASP O O 0.628 1.026 7.490 1.00 . A A . 18 ASP O 1 1 16 5184 1 1 18 ASP OD1 O 1.536 4.222 6.662 1.00 . A A . 18 ASP OD1 1 1 16 5185 1 1 18 ASP OD2 O 0.185 3.275 8.048 1.00 . A A . 18 ASP OD2 1 1 16 5186 1 1 19 ILE C C 0.166 -1.714 8.028 1.00 . A A . 19 ILE C 1 1 16 5187 1 1 19 ILE CA C 0.926 -1.525 6.712 1.00 . A A . 19 ILE CA 1 1 16 5188 1 1 19 ILE CB C 1.498 -2.872 6.231 1.00 . A A . 19 ILE CB 1 1 16 5189 1 1 19 ILE CD1 C 2.400 -5.094 6.950 1.00 . A A . 19 ILE CD1 1 1 16 5190 1 1 19 ILE CG1 C 1.956 -3.713 7.430 1.00 . A A . 19 ILE CG1 1 1 16 5191 1 1 19 ILE CG2 C 2.694 -2.624 5.311 1.00 . A A . 19 ILE CG2 1 1 16 5192 1 1 19 ILE H H 2.963 -0.840 6.773 1.00 . A A . 19 ILE H 1 1 16 5193 1 1 19 ILE HA H 0.251 -1.136 5.965 1.00 . A A . 19 ILE HA 1 1 16 5194 1 1 19 ILE HB H 0.738 -3.407 5.686 1.00 . A A . 19 ILE HB 1 1 16 5195 1 1 19 ILE HD11 H 1.924 -5.853 7.553 1.00 . A A . 19 ILE HD11 1 1 16 5196 1 1 19 ILE HD12 H 3.472 -5.179 7.044 1.00 . A A . 19 ILE HD12 1 1 16 5197 1 1 19 ILE HD13 H 2.116 -5.224 5.917 1.00 . A A . 19 ILE HD13 1 1 16 5198 1 1 19 ILE HG12 H 2.781 -3.218 7.922 1.00 . A A . 19 ILE HG12 1 1 16 5199 1 1 19 ILE HG13 H 1.137 -3.826 8.123 1.00 . A A . 19 ILE HG13 1 1 16 5200 1 1 19 ILE HG21 H 2.696 -1.593 4.994 1.00 . A A . 19 ILE HG21 1 1 16 5201 1 1 19 ILE HG22 H 2.622 -3.268 4.447 1.00 . A A . 19 ILE HG22 1 1 16 5202 1 1 19 ILE HG23 H 3.609 -2.839 5.845 1.00 . A A . 19 ILE HG23 1 1 16 5203 1 1 19 ILE N N 2.037 -0.558 6.920 1.00 . A A . 19 ILE N 1 1 16 5204 1 1 19 ILE O O 0.751 -2.011 9.052 1.00 . A A . 19 ILE O 1 1 16 5205 1 1 20 ILE C C -2.858 -2.905 9.139 1.00 . A A . 20 ILE C 1 1 16 5206 1 1 20 ILE CA C -1.896 -1.728 9.283 1.00 . A A . 20 ILE CA 1 1 16 5207 1 1 20 ILE CB C -2.683 -0.455 9.594 1.00 . A A . 20 ILE CB 1 1 16 5208 1 1 20 ILE CD1 C -0.796 0.097 11.142 1.00 . A A . 20 ILE CD1 1 1 16 5209 1 1 20 ILE CG1 C -1.718 0.641 10.048 1.00 . A A . 20 ILE CG1 1 1 16 5210 1 1 20 ILE CG2 C -3.693 -0.735 10.709 1.00 . A A . 20 ILE CG2 1 1 16 5211 1 1 20 ILE H H -1.590 -1.300 7.185 1.00 . A A . 20 ILE H 1 1 16 5212 1 1 20 ILE HA H -1.209 -1.934 10.092 1.00 . A A . 20 ILE HA 1 1 16 5213 1 1 20 ILE HB H -3.207 -0.130 8.707 1.00 . A A . 20 ILE HB 1 1 16 5214 1 1 20 ILE HD11 H -1.343 -0.598 11.761 1.00 . A A . 20 ILE HD11 1 1 16 5215 1 1 20 ILE HD12 H -0.438 0.915 11.751 1.00 . A A . 20 ILE HD12 1 1 16 5216 1 1 20 ILE HD13 H 0.044 -0.407 10.687 1.00 . A A . 20 ILE HD13 1 1 16 5217 1 1 20 ILE HG12 H -1.125 0.971 9.207 1.00 . A A . 20 ILE HG12 1 1 16 5218 1 1 20 ILE HG13 H -2.281 1.471 10.438 1.00 . A A . 20 ILE HG13 1 1 16 5219 1 1 20 ILE HG21 H -3.572 -1.750 11.057 1.00 . A A . 20 ILE HG21 1 1 16 5220 1 1 20 ILE HG22 H -4.695 -0.601 10.329 1.00 . A A . 20 ILE HG22 1 1 16 5221 1 1 20 ILE HG23 H -3.523 -0.051 11.527 1.00 . A A . 20 ILE HG23 1 1 16 5222 1 1 20 ILE N N -1.127 -1.546 8.018 1.00 . A A . 20 ILE N 1 1 16 5223 1 1 20 ILE O O -4.041 -2.733 8.921 1.00 . A A . 20 ILE O 1 1 16 5224 1 1 21 TRP C C -4.399 -5.181 10.138 1.00 . A A . 21 TRP C 1 1 16 5225 1 1 21 TRP CA C -3.249 -5.293 9.137 1.00 . A A . 21 TRP CA 1 1 16 5226 1 1 21 TRP CB C -2.477 -6.598 9.399 1.00 . A A . 21 TRP CB 1 1 16 5227 1 1 21 TRP CD1 C -0.154 -7.133 10.229 1.00 . A A . 21 TRP CD1 1 1 16 5228 1 1 21 TRP CD2 C -1.052 -5.387 11.330 1.00 . A A . 21 TRP CD2 1 1 16 5229 1 1 21 TRP CE2 C 0.240 -5.593 11.872 1.00 . A A . 21 TRP CE2 1 1 16 5230 1 1 21 TRP CE3 C -1.827 -4.338 11.855 1.00 . A A . 21 TRP CE3 1 1 16 5231 1 1 21 TRP CG C -1.276 -6.378 10.277 1.00 . A A . 21 TRP CG 1 1 16 5232 1 1 21 TRP CH2 C -0.046 -3.756 13.408 1.00 . A A . 21 TRP CH2 1 1 16 5233 1 1 21 TRP CZ2 C 0.740 -4.791 12.898 1.00 . A A . 21 TRP CZ2 1 1 16 5234 1 1 21 TRP CZ3 C -1.326 -3.529 12.888 1.00 . A A . 21 TRP CZ3 1 1 16 5235 1 1 21 TRP H H -1.402 -4.211 9.438 1.00 . A A . 21 TRP H 1 1 16 5236 1 1 21 TRP HA H -3.657 -5.320 8.137 1.00 . A A . 21 TRP HA 1 1 16 5237 1 1 21 TRP HB2 H -3.136 -7.305 9.879 1.00 . A A . 21 TRP HB2 1 1 16 5238 1 1 21 TRP HB3 H -2.153 -7.008 8.452 1.00 . A A . 21 TRP HB3 1 1 16 5239 1 1 21 TRP HD1 H 0.014 -7.963 9.560 1.00 . A A . 21 TRP HD1 1 1 16 5240 1 1 21 TRP HE1 H 1.636 -7.039 11.333 1.00 . A A . 21 TRP HE1 1 1 16 5241 1 1 21 TRP HE3 H -2.811 -4.151 11.460 1.00 . A A . 21 TRP HE3 1 1 16 5242 1 1 21 TRP HH2 H 0.334 -3.130 14.203 1.00 . A A . 21 TRP HH2 1 1 16 5243 1 1 21 TRP HZ2 H 1.728 -4.970 13.295 1.00 . A A . 21 TRP HZ2 1 1 16 5244 1 1 21 TRP HZ3 H -1.933 -2.728 13.284 1.00 . A A . 21 TRP HZ3 1 1 16 5245 1 1 21 TRP N N -2.358 -4.102 9.262 1.00 . A A . 21 TRP N 1 1 16 5246 1 1 21 TRP NE1 N 0.745 -6.666 11.170 1.00 . A A . 21 TRP NE1 1 1 16 5247 1 1 21 TRP O O -5.406 -4.583 9.790 1.00 . A A . 21 TRP O 1 1 16 5248 1 1 21 TRP OXT O -4.255 -5.693 11.236 1.00 . A A . 21 TRP OXT 1 1 17 5249 1 1 1 CYS C C 5.888 -2.256 -5.215 1.00 . A A . 1 CYS C 1 1 17 5250 1 1 1 CYS CA C 6.632 -1.627 -4.036 1.00 . A A . 1 CYS CA 1 1 17 5251 1 1 1 CYS CB C 7.329 -0.344 -4.497 1.00 . A A . 1 CYS CB 1 1 17 5252 1 1 1 CYS H1 H 7.185 -3.484 -3.271 1.00 . A A . 1 CYS H1 1 1 17 5253 1 1 1 CYS H2 H 8.107 -2.187 -2.677 1.00 . A A . 1 CYS H2 1 1 17 5254 1 1 1 CYS H3 H 8.363 -2.763 -4.255 1.00 . A A . 1 CYS H3 1 1 17 5255 1 1 1 CYS HA H 5.929 -1.393 -3.250 1.00 . A A . 1 CYS HA 1 1 17 5256 1 1 1 CYS HB2 H 8.393 -0.513 -4.552 1.00 . A A . 1 CYS HB2 1 1 17 5257 1 1 1 CYS HB3 H 6.958 -0.065 -5.471 1.00 . A A . 1 CYS HB3 1 1 17 5258 1 1 1 CYS N N 7.649 -2.587 -3.521 1.00 . A A . 1 CYS N 1 1 17 5259 1 1 1 CYS O O 6.413 -2.365 -6.305 1.00 . A A . 1 CYS O 1 1 17 5260 1 1 1 CYS SG S 6.988 0.986 -3.317 1.00 . A A . 1 CYS SG 1 1 17 5261 1 1 2 SER C C 2.398 -3.241 -5.794 1.00 . A A . 2 SER C 1 1 17 5262 1 1 2 SER CA C 3.894 -3.290 -6.117 1.00 . A A . 2 SER CA 1 1 17 5263 1 1 2 SER CB C 4.330 -4.745 -6.291 1.00 . A A . 2 SER CB 1 1 17 5264 1 1 2 SER H H 4.261 -2.573 -4.121 1.00 . A A . 2 SER H 1 1 17 5265 1 1 2 SER HA H 4.081 -2.748 -7.031 1.00 . A A . 2 SER HA 1 1 17 5266 1 1 2 SER HB2 H 5.058 -4.813 -7.082 1.00 . A A . 2 SER HB2 1 1 17 5267 1 1 2 SER HB3 H 4.772 -5.099 -5.368 1.00 . A A . 2 SER HB3 1 1 17 5268 1 1 2 SER HG H 2.873 -5.245 -7.479 1.00 . A A . 2 SER HG 1 1 17 5269 1 1 2 SER N N 4.668 -2.669 -5.006 1.00 . A A . 2 SER N 1 1 17 5270 1 1 2 SER O O 1.856 -4.137 -5.177 1.00 . A A . 2 SER O 1 1 17 5271 1 1 2 SER OG O 3.200 -5.539 -6.626 1.00 . A A . 2 SER OG 1 1 17 5272 1 1 3 CYS C C -0.436 -1.550 -7.186 1.00 . A A . 3 CYS C 1 1 17 5273 1 1 3 CYS CA C 0.266 -2.097 -5.936 1.00 . A A . 3 CYS CA 1 1 17 5274 1 1 3 CYS CB C 0.040 -1.153 -4.744 1.00 . A A . 3 CYS CB 1 1 17 5275 1 1 3 CYS H H 2.183 -1.494 -6.711 1.00 . A A . 3 CYS H 1 1 17 5276 1 1 3 CYS HA H -0.123 -3.077 -5.699 1.00 . A A . 3 CYS HA 1 1 17 5277 1 1 3 CYS HB2 H 0.275 -1.671 -3.828 1.00 . A A . 3 CYS HB2 1 1 17 5278 1 1 3 CYS HB3 H 0.682 -0.289 -4.843 1.00 . A A . 3 CYS HB3 1 1 17 5279 1 1 3 CYS N N 1.727 -2.203 -6.212 1.00 . A A . 3 CYS N 1 1 17 5280 1 1 3 CYS O O 0.188 -0.972 -8.053 1.00 . A A . 3 CYS O 1 1 17 5281 1 1 3 CYS SG S -1.689 -0.614 -4.687 1.00 . A A . 3 CYS SG 1 1 17 5282 1 1 4 SER C C -2.217 0.299 -8.590 1.00 . A A . 4 SER C 1 1 17 5283 1 1 4 SER CA C -2.456 -1.204 -8.474 1.00 . A A . 4 SER CA 1 1 17 5284 1 1 4 SER CB C -3.953 -1.473 -8.315 1.00 . A A . 4 SER CB 1 1 17 5285 1 1 4 SER H H -2.215 -2.185 -6.572 1.00 . A A . 4 SER H 1 1 17 5286 1 1 4 SER HA H -2.093 -1.695 -9.361 1.00 . A A . 4 SER HA 1 1 17 5287 1 1 4 SER HB2 H -4.173 -2.486 -8.608 1.00 . A A . 4 SER HB2 1 1 17 5288 1 1 4 SER HB3 H -4.235 -1.332 -7.279 1.00 . A A . 4 SER HB3 1 1 17 5289 1 1 4 SER HG H -4.202 -0.481 -9.970 1.00 . A A . 4 SER HG 1 1 17 5290 1 1 4 SER N N -1.726 -1.723 -7.283 1.00 . A A . 4 SER N 1 1 17 5291 1 1 4 SER O O -1.730 0.789 -9.589 1.00 . A A . 4 SER O 1 1 17 5292 1 1 4 SER OG O -4.683 -0.577 -9.144 1.00 . A A . 4 SER OG 1 1 17 5293 1 1 5 SER C C -1.779 2.948 -6.232 1.00 . A A . 5 SER C 1 1 17 5294 1 1 5 SER CA C -2.331 2.502 -7.596 1.00 . A A . 5 SER CA 1 1 17 5295 1 1 5 SER CB C -3.660 3.206 -7.886 1.00 . A A . 5 SER CB 1 1 17 5296 1 1 5 SER H H -2.928 0.608 -6.770 1.00 . A A . 5 SER H 1 1 17 5297 1 1 5 SER HA H -1.619 2.737 -8.377 1.00 . A A . 5 SER HA 1 1 17 5298 1 1 5 SER HB2 H -3.599 3.719 -8.830 1.00 . A A . 5 SER HB2 1 1 17 5299 1 1 5 SER HB3 H -4.453 2.470 -7.933 1.00 . A A . 5 SER HB3 1 1 17 5300 1 1 5 SER HG H -4.786 4.555 -7.047 1.00 . A A . 5 SER HG 1 1 17 5301 1 1 5 SER N N -2.546 1.030 -7.566 1.00 . A A . 5 SER N 1 1 17 5302 1 1 5 SER O O -2.404 2.752 -5.209 1.00 . A A . 5 SER O 1 1 17 5303 1 1 5 SER OG O -3.936 4.151 -6.858 1.00 . A A . 5 SER OG 1 1 17 5304 1 1 6 LEU C C -0.950 4.893 -4.131 1.00 . A A . 6 LEU C 1 1 17 5305 1 1 6 LEU CA C -0.005 3.950 -4.901 1.00 . A A . 6 LEU CA 1 1 17 5306 1 1 6 LEU CB C 1.328 4.664 -5.156 1.00 . A A . 6 LEU CB 1 1 17 5307 1 1 6 LEU CD1 C 2.418 2.667 -6.199 1.00 . A A . 6 LEU CD1 1 1 17 5308 1 1 6 LEU CD2 C 3.809 4.390 -5.040 1.00 . A A . 6 LEU CD2 1 1 17 5309 1 1 6 LEU CG C 2.468 3.653 -5.029 1.00 . A A . 6 LEU CG 1 1 17 5310 1 1 6 LEU H H -0.105 3.653 -7.037 1.00 . A A . 6 LEU H 1 1 17 5311 1 1 6 LEU HA H 0.185 3.073 -4.299 1.00 . A A . 6 LEU HA 1 1 17 5312 1 1 6 LEU HB2 H 1.334 5.094 -6.148 1.00 . A A . 6 LEU HB2 1 1 17 5313 1 1 6 LEU HB3 H 1.462 5.446 -4.424 1.00 . A A . 6 LEU HB3 1 1 17 5314 1 1 6 LEU HD11 H 1.400 2.339 -6.351 1.00 . A A . 6 LEU HD11 1 1 17 5315 1 1 6 LEU HD12 H 3.042 1.813 -5.977 1.00 . A A . 6 LEU HD12 1 1 17 5316 1 1 6 LEU HD13 H 2.777 3.152 -7.094 1.00 . A A . 6 LEU HD13 1 1 17 5317 1 1 6 LEU HD21 H 3.644 5.438 -4.839 1.00 . A A . 6 LEU HD21 1 1 17 5318 1 1 6 LEU HD22 H 4.274 4.277 -6.008 1.00 . A A . 6 LEU HD22 1 1 17 5319 1 1 6 LEU HD23 H 4.454 3.975 -4.279 1.00 . A A . 6 LEU HD23 1 1 17 5320 1 1 6 LEU HG H 2.360 3.109 -4.103 1.00 . A A . 6 LEU HG 1 1 17 5321 1 1 6 LEU N N -0.605 3.522 -6.204 1.00 . A A . 6 LEU N 1 1 17 5322 1 1 6 LEU O O -0.759 5.134 -2.956 1.00 . A A . 6 LEU O 1 1 17 5323 1 1 7 MET C C -3.952 5.569 -3.290 1.00 . A A . 7 MET C 1 1 17 5324 1 1 7 MET CA C -2.877 6.364 -4.050 1.00 . A A . 7 MET CA 1 1 17 5325 1 1 7 MET CB C -3.533 7.305 -5.073 1.00 . A A . 7 MET CB 1 1 17 5326 1 1 7 MET CE C -5.964 9.762 -2.851 1.00 . A A . 7 MET CE 1 1 17 5327 1 1 7 MET CG C -4.794 7.933 -4.482 1.00 . A A . 7 MET CG 1 1 17 5328 1 1 7 MET H H -2.101 5.253 -5.715 1.00 . A A . 7 MET H 1 1 17 5329 1 1 7 MET HA H -2.308 6.952 -3.346 1.00 . A A . 7 MET HA 1 1 17 5330 1 1 7 MET HB2 H -2.836 8.086 -5.336 1.00 . A A . 7 MET HB2 1 1 17 5331 1 1 7 MET HB3 H -3.796 6.749 -5.961 1.00 . A A . 7 MET HB3 1 1 17 5332 1 1 7 MET HE1 H -5.830 10.771 -2.486 1.00 . A A . 7 MET HE1 1 1 17 5333 1 1 7 MET HE2 H -6.538 9.197 -2.133 1.00 . A A . 7 MET HE2 1 1 17 5334 1 1 7 MET HE3 H -6.489 9.780 -3.795 1.00 . A A . 7 MET HE3 1 1 17 5335 1 1 7 MET HG2 H -5.280 8.528 -5.237 1.00 . A A . 7 MET HG2 1 1 17 5336 1 1 7 MET HG3 H -5.464 7.154 -4.150 1.00 . A A . 7 MET HG3 1 1 17 5337 1 1 7 MET N N -1.956 5.438 -4.769 1.00 . A A . 7 MET N 1 1 17 5338 1 1 7 MET O O -4.697 6.120 -2.505 1.00 . A A . 7 MET O 1 1 17 5339 1 1 7 MET SD S -4.346 8.985 -3.078 1.00 . A A . 7 MET SD 1 1 17 5340 1 1 8 ASP C C -4.858 3.604 -1.277 1.00 . A A . 8 ASP C 1 1 17 5341 1 1 8 ASP CA C -5.068 3.474 -2.788 1.00 . A A . 8 ASP CA 1 1 17 5342 1 1 8 ASP CB C -4.951 1.999 -3.190 1.00 . A A . 8 ASP CB 1 1 17 5343 1 1 8 ASP CG C -6.332 1.342 -3.130 1.00 . A A . 8 ASP CG 1 1 17 5344 1 1 8 ASP H H -3.434 3.851 -4.141 1.00 . A A . 8 ASP H 1 1 17 5345 1 1 8 ASP HA H -6.053 3.836 -3.043 1.00 . A A . 8 ASP HA 1 1 17 5346 1 1 8 ASP HB2 H -4.563 1.925 -4.194 1.00 . A A . 8 ASP HB2 1 1 17 5347 1 1 8 ASP HB3 H -4.285 1.492 -2.509 1.00 . A A . 8 ASP HB3 1 1 17 5348 1 1 8 ASP N N -4.040 4.283 -3.509 1.00 . A A . 8 ASP N 1 1 17 5349 1 1 8 ASP O O -4.329 4.585 -0.794 1.00 . A A . 8 ASP O 1 1 17 5350 1 1 8 ASP OD1 O -7.296 2.055 -2.903 1.00 . A A . 8 ASP OD1 1 1 17 5351 1 1 8 ASP OD2 O -6.401 0.138 -3.313 1.00 . A A . 8 ASP OD2 1 1 17 5352 1 1 9 LYS C C -4.441 1.382 1.461 1.00 . A A . 9 LYS C 1 1 17 5353 1 1 9 LYS CA C -5.098 2.682 0.956 1.00 . A A . 9 LYS CA 1 1 17 5354 1 1 9 LYS CB C -6.464 2.890 1.629 1.00 . A A . 9 LYS CB 1 1 17 5355 1 1 9 LYS CD C -6.575 5.370 1.156 1.00 . A A . 9 LYS CD 1 1 17 5356 1 1 9 LYS CE C -6.145 5.484 2.620 1.00 . A A . 9 LYS CE 1 1 17 5357 1 1 9 LYS CG C -7.242 4.008 0.909 1.00 . A A . 9 LYS CG 1 1 17 5358 1 1 9 LYS H H -5.693 1.838 -0.943 1.00 . A A . 9 LYS H 1 1 17 5359 1 1 9 LYS HA H -4.453 3.513 1.200 1.00 . A A . 9 LYS HA 1 1 17 5360 1 1 9 LYS HB2 H -7.032 1.972 1.580 1.00 . A A . 9 LYS HB2 1 1 17 5361 1 1 9 LYS HB3 H -6.318 3.164 2.662 1.00 . A A . 9 LYS HB3 1 1 17 5362 1 1 9 LYS HD2 H -5.712 5.471 0.517 1.00 . A A . 9 LYS HD2 1 1 17 5363 1 1 9 LYS HD3 H -7.282 6.158 0.930 1.00 . A A . 9 LYS HD3 1 1 17 5364 1 1 9 LYS HE2 H -6.855 4.964 3.246 1.00 . A A . 9 LYS HE2 1 1 17 5365 1 1 9 LYS HE3 H -5.167 5.043 2.743 1.00 . A A . 9 LYS HE3 1 1 17 5366 1 1 9 LYS HG2 H -7.257 3.807 -0.151 1.00 . A A . 9 LYS HG2 1 1 17 5367 1 1 9 LYS HG3 H -8.258 4.042 1.280 1.00 . A A . 9 LYS HG3 1 1 17 5368 1 1 9 LYS HZ1 H -5.279 7.376 2.559 1.00 . A A . 9 LYS HZ1 1 1 17 5369 1 1 9 LYS HZ2 H -6.002 6.993 4.048 1.00 . A A . 9 LYS HZ2 1 1 17 5370 1 1 9 LYS HZ3 H -6.968 7.394 2.709 1.00 . A A . 9 LYS HZ3 1 1 17 5371 1 1 9 LYS N N -5.271 2.619 -0.527 1.00 . A A . 9 LYS N 1 1 17 5372 1 1 9 LYS NZ N -6.095 6.920 3.014 1.00 . A A . 9 LYS NZ 1 1 17 5373 1 1 9 LYS O O -3.267 1.359 1.768 1.00 . A A . 9 LYS O 1 1 17 5374 1 1 10 GLU C C -3.624 -1.511 0.956 1.00 . A A . 10 GLU C 1 1 17 5375 1 1 10 GLU CA C -4.574 -0.971 2.031 1.00 . A A . 10 GLU CA 1 1 17 5376 1 1 10 GLU CB C -5.697 -1.982 2.306 1.00 . A A . 10 GLU CB 1 1 17 5377 1 1 10 GLU CD C -5.703 -4.234 3.395 1.00 . A A . 10 GLU CD 1 1 17 5378 1 1 10 GLU CG C -5.153 -3.410 2.229 1.00 . A A . 10 GLU CG 1 1 17 5379 1 1 10 GLU H H -6.116 0.324 1.305 1.00 . A A . 10 GLU H 1 1 17 5380 1 1 10 GLU HA H -4.020 -0.787 2.939 1.00 . A A . 10 GLU HA 1 1 17 5381 1 1 10 GLU HB2 H -6.101 -1.806 3.293 1.00 . A A . 10 GLU HB2 1 1 17 5382 1 1 10 GLU HB3 H -6.478 -1.857 1.572 1.00 . A A . 10 GLU HB3 1 1 17 5383 1 1 10 GLU HG2 H -5.458 -3.857 1.294 1.00 . A A . 10 GLU HG2 1 1 17 5384 1 1 10 GLU HG3 H -4.075 -3.386 2.283 1.00 . A A . 10 GLU HG3 1 1 17 5385 1 1 10 GLU N N -5.177 0.302 1.552 1.00 . A A . 10 GLU N 1 1 17 5386 1 1 10 GLU O O -2.630 -2.144 1.254 1.00 . A A . 10 GLU O 1 1 17 5387 1 1 10 GLU OE1 O -5.421 -3.881 4.528 1.00 . A A . 10 GLU OE1 1 1 17 5388 1 1 10 GLU OE2 O -6.397 -5.203 3.135 1.00 . A A . 10 GLU OE2 1 1 17 5389 1 1 11 CYS C C -1.767 -0.863 -1.388 1.00 . A A . 11 CYS C 1 1 17 5390 1 1 11 CYS CA C -3.020 -1.734 -1.377 1.00 . A A . 11 CYS CA 1 1 17 5391 1 1 11 CYS CB C -3.747 -1.616 -2.719 1.00 . A A . 11 CYS CB 1 1 17 5392 1 1 11 CYS H H -4.709 -0.726 -0.506 1.00 . A A . 11 CYS H 1 1 17 5393 1 1 11 CYS HA H -2.745 -2.763 -1.200 1.00 . A A . 11 CYS HA 1 1 17 5394 1 1 11 CYS HB2 H -4.660 -2.192 -2.685 1.00 . A A . 11 CYS HB2 1 1 17 5395 1 1 11 CYS HB3 H -3.983 -0.579 -2.910 1.00 . A A . 11 CYS HB3 1 1 17 5396 1 1 11 CYS N N -3.914 -1.253 -0.288 1.00 . A A . 11 CYS N 1 1 17 5397 1 1 11 CYS O O -0.788 -1.158 -2.043 1.00 . A A . 11 CYS O 1 1 17 5398 1 1 11 CYS SG S -2.686 -2.246 -4.041 1.00 . A A . 11 CYS SG 1 1 17 5399 1 1 12 VAL C C 0.392 0.619 0.407 1.00 . A A . 12 VAL C 1 1 17 5400 1 1 12 VAL CA C -0.645 1.138 -0.603 1.00 . A A . 12 VAL CA 1 1 17 5401 1 1 12 VAL CB C -1.157 2.515 -0.176 1.00 . A A . 12 VAL CB 1 1 17 5402 1 1 12 VAL CG1 C -0.009 3.368 0.335 1.00 . A A . 12 VAL CG1 1 1 17 5403 1 1 12 VAL CG2 C -1.810 3.201 -1.375 1.00 . A A . 12 VAL CG2 1 1 17 5404 1 1 12 VAL H H -2.613 0.432 -0.150 1.00 . A A . 12 VAL H 1 1 17 5405 1 1 12 VAL HA H -0.190 1.211 -1.577 1.00 . A A . 12 VAL HA 1 1 17 5406 1 1 12 VAL HB H -1.885 2.400 0.609 1.00 . A A . 12 VAL HB 1 1 17 5407 1 1 12 VAL HG11 H 0.708 3.513 -0.456 1.00 . A A . 12 VAL HG11 1 1 17 5408 1 1 12 VAL HG12 H 0.463 2.866 1.167 1.00 . A A . 12 VAL HG12 1 1 17 5409 1 1 12 VAL HG13 H -0.392 4.323 0.660 1.00 . A A . 12 VAL HG13 1 1 17 5410 1 1 12 VAL HG21 H -2.719 2.681 -1.636 1.00 . A A . 12 VAL HG21 1 1 17 5411 1 1 12 VAL HG22 H -1.131 3.181 -2.214 1.00 . A A . 12 VAL HG22 1 1 17 5412 1 1 12 VAL HG23 H -2.040 4.225 -1.122 1.00 . A A . 12 VAL HG23 1 1 17 5413 1 1 12 VAL N N -1.806 0.218 -0.661 1.00 . A A . 12 VAL N 1 1 17 5414 1 1 12 VAL O O 1.579 0.789 0.227 1.00 . A A . 12 VAL O 1 1 17 5415 1 1 13 TYR C C 2.006 -1.357 1.801 1.00 . A A . 13 TYR C 1 1 17 5416 1 1 13 TYR CA C 0.917 -0.525 2.482 1.00 . A A . 13 TYR CA 1 1 17 5417 1 1 13 TYR CB C 0.168 -1.404 3.481 1.00 . A A . 13 TYR CB 1 1 17 5418 1 1 13 TYR CD1 C -0.887 0.771 4.195 1.00 . A A . 13 TYR CD1 1 1 17 5419 1 1 13 TYR CD2 C -2.112 -1.293 4.544 1.00 . A A . 13 TYR CD2 1 1 17 5420 1 1 13 TYR CE1 C -1.944 1.494 4.760 1.00 . A A . 13 TYR CE1 1 1 17 5421 1 1 13 TYR CE2 C -3.170 -0.568 5.108 1.00 . A A . 13 TYR CE2 1 1 17 5422 1 1 13 TYR CG C -0.970 -0.623 4.087 1.00 . A A . 13 TYR CG 1 1 17 5423 1 1 13 TYR CZ C -3.085 0.825 5.216 1.00 . A A . 13 TYR CZ 1 1 17 5424 1 1 13 TYR H H -1.005 -0.136 1.600 1.00 . A A . 13 TYR H 1 1 17 5425 1 1 13 TYR HA H 1.371 0.304 3.002 1.00 . A A . 13 TYR HA 1 1 17 5426 1 1 13 TYR HB2 H -0.221 -2.274 2.974 1.00 . A A . 13 TYR HB2 1 1 17 5427 1 1 13 TYR HB3 H 0.844 -1.716 4.261 1.00 . A A . 13 TYR HB3 1 1 17 5428 1 1 13 TYR HD1 H -0.006 1.288 3.844 1.00 . A A . 13 TYR HD1 1 1 17 5429 1 1 13 TYR HD2 H -2.177 -2.367 4.461 1.00 . A A . 13 TYR HD2 1 1 17 5430 1 1 13 TYR HE1 H -1.879 2.569 4.843 1.00 . A A . 13 TYR HE1 1 1 17 5431 1 1 13 TYR HE2 H -4.050 -1.086 5.461 1.00 . A A . 13 TYR HE2 1 1 17 5432 1 1 13 TYR HH H -3.826 1.900 6.609 1.00 . A A . 13 TYR HH 1 1 17 5433 1 1 13 TYR N N -0.045 -0.007 1.466 1.00 . A A . 13 TYR N 1 1 17 5434 1 1 13 TYR O O 3.096 -1.507 2.314 1.00 . A A . 13 TYR O 1 1 17 5435 1 1 13 TYR OH O -4.127 1.538 5.772 1.00 . A A . 13 TYR OH 1 1 17 5436 1 1 14 PHE C C 3.930 -1.902 -0.456 1.00 . A A . 14 PHE C 1 1 17 5437 1 1 14 PHE CA C 2.727 -2.752 -0.037 1.00 . A A . 14 PHE CA 1 1 17 5438 1 1 14 PHE CB C 2.083 -3.384 -1.269 1.00 . A A . 14 PHE CB 1 1 17 5439 1 1 14 PHE CD1 C 0.635 -4.545 0.434 1.00 . A A . 14 PHE CD1 1 1 17 5440 1 1 14 PHE CD2 C -0.276 -4.118 -1.772 1.00 . A A . 14 PHE CD2 1 1 17 5441 1 1 14 PHE CE1 C -0.570 -5.144 0.817 1.00 . A A . 14 PHE CE1 1 1 17 5442 1 1 14 PHE CE2 C -1.482 -4.718 -1.388 1.00 . A A . 14 PHE CE2 1 1 17 5443 1 1 14 PHE CG C 0.783 -4.031 -0.861 1.00 . A A . 14 PHE CG 1 1 17 5444 1 1 14 PHE CZ C -1.628 -5.230 -0.092 1.00 . A A . 14 PHE CZ 1 1 17 5445 1 1 14 PHE H H 0.823 -1.792 0.271 1.00 . A A . 14 PHE H 1 1 17 5446 1 1 14 PHE HA H 3.057 -3.532 0.631 1.00 . A A . 14 PHE HA 1 1 17 5447 1 1 14 PHE HB2 H 1.893 -2.622 -2.010 1.00 . A A . 14 PHE HB2 1 1 17 5448 1 1 14 PHE HB3 H 2.744 -4.133 -1.680 1.00 . A A . 14 PHE HB3 1 1 17 5449 1 1 14 PHE HD1 H 1.451 -4.478 1.138 1.00 . A A . 14 PHE HD1 1 1 17 5450 1 1 14 PHE HD2 H -0.163 -3.723 -2.771 1.00 . A A . 14 PHE HD2 1 1 17 5451 1 1 14 PHE HE1 H -0.683 -5.539 1.816 1.00 . A A . 14 PHE HE1 1 1 17 5452 1 1 14 PHE HE2 H -2.299 -4.785 -2.091 1.00 . A A . 14 PHE HE2 1 1 17 5453 1 1 14 PHE HZ H -2.559 -5.692 0.203 1.00 . A A . 14 PHE HZ 1 1 17 5454 1 1 14 PHE N N 1.715 -1.913 0.661 1.00 . A A . 14 PHE N 1 1 17 5455 1 1 14 PHE O O 5.042 -2.384 -0.529 1.00 . A A . 14 PHE O 1 1 17 5456 1 1 15 CYS C C 5.626 0.729 0.088 1.00 . A A . 15 CYS C 1 1 17 5457 1 1 15 CYS CA C 4.862 0.224 -1.146 1.00 . A A . 15 CYS CA 1 1 17 5458 1 1 15 CYS CB C 4.327 1.420 -1.936 1.00 . A A . 15 CYS CB 1 1 17 5459 1 1 15 CYS H H 2.818 -0.272 -0.675 1.00 . A A . 15 CYS H 1 1 17 5460 1 1 15 CYS HA H 5.532 -0.344 -1.772 1.00 . A A . 15 CYS HA 1 1 17 5461 1 1 15 CYS HB2 H 3.253 1.354 -2.004 1.00 . A A . 15 CYS HB2 1 1 17 5462 1 1 15 CYS HB3 H 4.598 2.335 -1.433 1.00 . A A . 15 CYS HB3 1 1 17 5463 1 1 15 CYS N N 3.722 -0.645 -0.732 1.00 . A A . 15 CYS N 1 1 17 5464 1 1 15 CYS O O 6.305 1.735 0.033 1.00 . A A . 15 CYS O 1 1 17 5465 1 1 15 CYS SG S 5.035 1.414 -3.603 1.00 . A A . 15 CYS SG 1 1 17 5466 1 1 16 HIS C C 5.522 1.659 3.075 1.00 . A A . 16 HIS C 1 1 17 5467 1 1 16 HIS CA C 6.261 0.486 2.423 1.00 . A A . 16 HIS CA 1 1 17 5468 1 1 16 HIS CB C 7.675 0.927 2.039 1.00 . A A . 16 HIS CB 1 1 17 5469 1 1 16 HIS CD2 C 9.870 -0.062 3.093 1.00 . A A . 16 HIS CD2 1 1 17 5470 1 1 16 HIS CE1 C 9.408 0.300 5.179 1.00 . A A . 16 HIS CE1 1 1 17 5471 1 1 16 HIS CG C 8.635 0.537 3.129 1.00 . A A . 16 HIS CG 1 1 17 5472 1 1 16 HIS H H 4.983 -0.769 1.231 1.00 . A A . 16 HIS H 1 1 17 5473 1 1 16 HIS HA H 6.323 -0.336 3.122 1.00 . A A . 16 HIS HA 1 1 17 5474 1 1 16 HIS HB2 H 7.964 0.446 1.116 1.00 . A A . 16 HIS HB2 1 1 17 5475 1 1 16 HIS HB3 H 7.696 1.999 1.909 1.00 . A A . 16 HIS HB3 1 1 17 5476 1 1 16 HIS HD1 H 7.551 1.173 4.834 1.00 . A A . 16 HIS HD1 1 1 17 5477 1 1 16 HIS HD2 H 10.387 -0.370 2.195 1.00 . A A . 16 HIS HD2 1 1 17 5478 1 1 16 HIS HE1 H 9.474 0.339 6.256 1.00 . A A . 16 HIS HE1 1 1 17 5479 1 1 16 HIS N N 5.530 0.041 1.199 1.00 . A A . 16 HIS N 1 1 17 5480 1 1 16 HIS ND1 N 8.361 0.758 4.470 1.00 . A A . 16 HIS ND1 1 1 17 5481 1 1 16 HIS NE2 N 10.357 -0.211 4.388 1.00 . A A . 16 HIS NE2 1 1 17 5482 1 1 16 HIS O O 6.131 2.611 3.523 1.00 . A A . 16 HIS O 1 1 17 5483 1 1 17 LEU C C 2.878 2.291 5.084 1.00 . A A . 17 LEU C 1 1 17 5484 1 1 17 LEU CA C 3.454 2.724 3.732 1.00 . A A . 17 LEU CA 1 1 17 5485 1 1 17 LEU CB C 2.312 3.086 2.794 1.00 . A A . 17 LEU CB 1 1 17 5486 1 1 17 LEU CD1 C 3.997 4.658 1.800 1.00 . A A . 17 LEU CD1 1 1 17 5487 1 1 17 LEU CD2 C 3.402 2.547 0.605 1.00 . A A . 17 LEU CD2 1 1 17 5488 1 1 17 LEU CG C 2.865 3.675 1.489 1.00 . A A . 17 LEU CG 1 1 17 5489 1 1 17 LEU H H 3.734 0.852 2.753 1.00 . A A . 17 LEU H 1 1 17 5490 1 1 17 LEU HA H 4.098 3.580 3.866 1.00 . A A . 17 LEU HA 1 1 17 5491 1 1 17 LEU HB2 H 1.738 2.200 2.576 1.00 . A A . 17 LEU HB2 1 1 17 5492 1 1 17 LEU HB3 H 1.685 3.800 3.271 1.00 . A A . 17 LEU HB3 1 1 17 5493 1 1 17 LEU HD11 H 4.204 5.254 0.925 1.00 . A A . 17 LEU HD11 1 1 17 5494 1 1 17 LEU HD12 H 4.884 4.107 2.079 1.00 . A A . 17 LEU HD12 1 1 17 5495 1 1 17 LEU HD13 H 3.701 5.302 2.614 1.00 . A A . 17 LEU HD13 1 1 17 5496 1 1 17 LEU HD21 H 2.845 2.519 -0.320 1.00 . A A . 17 LEU HD21 1 1 17 5497 1 1 17 LEU HD22 H 3.294 1.604 1.119 1.00 . A A . 17 LEU HD22 1 1 17 5498 1 1 17 LEU HD23 H 4.445 2.723 0.391 1.00 . A A . 17 LEU HD23 1 1 17 5499 1 1 17 LEU HG H 2.076 4.195 0.969 1.00 . A A . 17 LEU HG 1 1 17 5500 1 1 17 LEU N N 4.217 1.612 3.125 1.00 . A A . 17 LEU N 1 1 17 5501 1 1 17 LEU O O 1.678 2.247 5.269 1.00 . A A . 17 LEU O 1 1 17 5502 1 1 18 ASP C C 2.013 0.649 7.225 1.00 . A A . 18 ASP C 1 1 17 5503 1 1 18 ASP CA C 3.238 1.558 7.373 1.00 . A A . 18 ASP CA 1 1 17 5504 1 1 18 ASP CB C 2.853 2.799 8.183 1.00 . A A . 18 ASP CB 1 1 17 5505 1 1 18 ASP CG C 2.086 2.377 9.437 1.00 . A A . 18 ASP CG 1 1 17 5506 1 1 18 ASP H H 4.682 2.034 5.852 1.00 . A A . 18 ASP H 1 1 17 5507 1 1 18 ASP HA H 4.023 1.025 7.888 1.00 . A A . 18 ASP HA 1 1 17 5508 1 1 18 ASP HB2 H 3.749 3.331 8.470 1.00 . A A . 18 ASP HB2 1 1 17 5509 1 1 18 ASP HB3 H 2.230 3.442 7.580 1.00 . A A . 18 ASP HB3 1 1 17 5510 1 1 18 ASP N N 3.724 1.981 6.027 1.00 . A A . 18 ASP N 1 1 17 5511 1 1 18 ASP O O 0.895 1.060 7.463 1.00 . A A . 18 ASP O 1 1 17 5512 1 1 18 ASP OD1 O 2.524 1.444 10.090 1.00 . A A . 18 ASP OD1 1 1 17 5513 1 1 18 ASP OD2 O 1.073 2.994 9.723 1.00 . A A . 18 ASP OD2 1 1 17 5514 1 1 19 ILE C C 0.327 -1.639 8.023 1.00 . A A . 19 ILE C 1 1 17 5515 1 1 19 ILE CA C 1.049 -1.502 6.678 1.00 . A A . 19 ILE CA 1 1 17 5516 1 1 19 ILE CB C 1.542 -2.879 6.199 1.00 . A A . 19 ILE CB 1 1 17 5517 1 1 19 ILE CD1 C 2.349 -5.138 6.916 1.00 . A A . 19 ILE CD1 1 1 17 5518 1 1 19 ILE CG1 C 2.002 -3.728 7.391 1.00 . A A . 19 ILE CG1 1 1 17 5519 1 1 19 ILE CG2 C 2.716 -2.699 5.234 1.00 . A A . 19 ILE CG2 1 1 17 5520 1 1 19 ILE H H 3.115 -0.903 6.647 1.00 . A A . 19 ILE H 1 1 17 5521 1 1 19 ILE HA H 0.366 -1.091 5.949 1.00 . A A . 19 ILE HA 1 1 17 5522 1 1 19 ILE HB H 0.740 -3.384 5.686 1.00 . A A . 19 ILE HB 1 1 17 5523 1 1 19 ILE HD11 H 3.409 -5.306 7.029 1.00 . A A . 19 ILE HD11 1 1 17 5524 1 1 19 ILE HD12 H 2.075 -5.244 5.877 1.00 . A A . 19 ILE HD12 1 1 17 5525 1 1 19 ILE HD13 H 1.804 -5.860 7.507 1.00 . A A . 19 ILE HD13 1 1 17 5526 1 1 19 ILE HG12 H 2.872 -3.275 7.842 1.00 . A A . 19 ILE HG12 1 1 17 5527 1 1 19 ILE HG13 H 1.208 -3.787 8.119 1.00 . A A . 19 ILE HG13 1 1 17 5528 1 1 19 ILE HG21 H 2.548 -3.294 4.348 1.00 . A A . 19 ILE HG21 1 1 17 5529 1 1 19 ILE HG22 H 3.628 -3.019 5.715 1.00 . A A . 19 ILE HG22 1 1 17 5530 1 1 19 ILE HG23 H 2.798 -1.658 4.960 1.00 . A A . 19 ILE HG23 1 1 17 5531 1 1 19 ILE N N 2.209 -0.583 6.836 1.00 . A A . 19 ILE N 1 1 17 5532 1 1 19 ILE O O 0.930 -1.950 9.031 1.00 . A A . 19 ILE O 1 1 17 5533 1 1 20 ILE C C -2.730 -2.660 9.235 1.00 . A A . 20 ILE C 1 1 17 5534 1 1 20 ILE CA C -1.691 -1.545 9.343 1.00 . A A . 20 ILE CA 1 1 17 5535 1 1 20 ILE CB C -2.382 -0.226 9.682 1.00 . A A . 20 ILE CB 1 1 17 5536 1 1 20 ILE CD1 C -0.404 0.198 11.156 1.00 . A A . 20 ILE CD1 1 1 17 5537 1 1 20 ILE CG1 C -1.331 0.804 10.099 1.00 . A A . 20 ILE CG1 1 1 17 5538 1 1 20 ILE CG2 C -3.365 -0.442 10.834 1.00 . A A . 20 ILE CG2 1 1 17 5539 1 1 20 ILE H H -1.437 -1.159 7.232 1.00 . A A . 20 ILE H 1 1 17 5540 1 1 20 ILE HA H -0.991 -1.797 10.127 1.00 . A A . 20 ILE HA 1 1 17 5541 1 1 20 ILE HB H -2.917 0.133 8.815 1.00 . A A . 20 ILE HB 1 1 17 5542 1 1 20 ILE HD11 H 0.397 -0.337 10.668 1.00 . A A . 20 ILE HD11 1 1 17 5543 1 1 20 ILE HD12 H -0.966 -0.483 11.778 1.00 . A A . 20 ILE HD12 1 1 17 5544 1 1 20 ILE HD13 H 0.009 0.988 11.767 1.00 . A A . 20 ILE HD13 1 1 17 5545 1 1 20 ILE HG12 H -0.750 1.095 9.235 1.00 . A A . 20 ILE HG12 1 1 17 5546 1 1 20 ILE HG13 H -1.823 1.669 10.511 1.00 . A A . 20 ILE HG13 1 1 17 5547 1 1 20 ILE HG21 H -3.094 -1.337 11.376 1.00 . A A . 20 ILE HG21 1 1 17 5548 1 1 20 ILE HG22 H -4.364 -0.550 10.440 1.00 . A A . 20 ILE HG22 1 1 17 5549 1 1 20 ILE HG23 H -3.330 0.406 11.501 1.00 . A A . 20 ILE HG23 1 1 17 5550 1 1 20 ILE N N -0.957 -1.415 8.053 1.00 . A A . 20 ILE N 1 1 17 5551 1 1 20 ILE O O -3.901 -2.416 9.018 1.00 . A A . 20 ILE O 1 1 17 5552 1 1 21 TRP C C -4.355 -4.872 10.357 1.00 . A A . 21 TRP C 1 1 17 5553 1 1 21 TRP CA C -3.260 -5.025 9.297 1.00 . A A . 21 TRP CA 1 1 17 5554 1 1 21 TRP CB C -2.541 -6.370 9.510 1.00 . A A . 21 TRP CB 1 1 17 5555 1 1 21 TRP CD1 C -0.228 -7.041 10.271 1.00 . A A . 21 TRP CD1 1 1 17 5556 1 1 21 TRP CD2 C -0.986 -5.249 11.400 1.00 . A A . 21 TRP CD2 1 1 17 5557 1 1 21 TRP CE2 C 0.307 -5.532 11.903 1.00 . A A . 21 TRP CE2 1 1 17 5558 1 1 21 TRP CE3 C -1.681 -4.157 11.950 1.00 . A A . 21 TRP CE3 1 1 17 5559 1 1 21 TRP CG C -1.302 -6.222 10.354 1.00 . A A . 21 TRP CG 1 1 17 5560 1 1 21 TRP CH2 C 0.179 -3.683 13.448 1.00 . A A . 21 TRP CH2 1 1 17 5561 1 1 21 TRP CZ2 C 0.885 -4.764 12.913 1.00 . A A . 21 TRP CZ2 1 1 17 5562 1 1 21 TRP CZ3 C -1.101 -3.380 12.967 1.00 . A A . 21 TRP CZ3 1 1 17 5563 1 1 21 TRP H H -1.355 -4.043 9.555 1.00 . A A . 21 TRP H 1 1 17 5564 1 1 21 TRP HA H -3.718 -5.023 8.319 1.00 . A A . 21 TRP HA 1 1 17 5565 1 1 21 TRP HB2 H -3.215 -7.055 9.999 1.00 . A A . 21 TRP HB2 1 1 17 5566 1 1 21 TRP HB3 H -2.266 -6.776 8.547 1.00 . A A . 21 TRP HB3 1 1 17 5567 1 1 21 TRP HD1 H -0.130 -7.879 9.596 1.00 . A A . 21 TRP HD1 1 1 17 5568 1 1 21 TRP HE1 H 1.597 -7.058 11.320 1.00 . A A . 21 TRP HE1 1 1 17 5569 1 1 21 TRP HE3 H -2.662 -3.910 11.587 1.00 . A A . 21 TRP HE3 1 1 17 5570 1 1 21 TRP HH2 H 0.619 -3.082 14.229 1.00 . A A . 21 TRP HH2 1 1 17 5571 1 1 21 TRP HZ2 H 1.873 -5.002 13.279 1.00 . A A . 21 TRP HZ2 1 1 17 5572 1 1 21 TRP HZ3 H -1.646 -2.545 13.381 1.00 . A A . 21 TRP HZ3 1 1 17 5573 1 1 21 TRP N N -2.304 -3.882 9.386 1.00 . A A . 21 TRP N 1 1 17 5574 1 1 21 TRP NE1 N 0.725 -6.633 11.184 1.00 . A A . 21 TRP NE1 1 1 17 5575 1 1 21 TRP O O -4.940 -5.878 10.724 1.00 . A A . 21 TRP O 1 1 17 5576 1 1 21 TRP OXT O -4.592 -3.753 10.782 1.00 . A A . 21 TRP OXT 1 1 18 5577 1 1 1 CYS C C 6.078 -2.147 -5.171 1.00 . A A . 1 CYS C 1 1 18 5578 1 1 1 CYS CA C 6.773 -1.713 -3.879 1.00 . A A . 1 CYS CA 1 1 18 5579 1 1 1 CYS CB C 7.528 -0.404 -4.121 1.00 . A A . 1 CYS CB 1 1 18 5580 1 1 1 CYS H1 H 7.738 -3.537 -4.153 1.00 . A A . 1 CYS H1 1 1 18 5581 1 1 1 CYS H2 H 7.447 -3.146 -2.526 1.00 . A A . 1 CYS H2 1 1 18 5582 1 1 1 CYS H3 H 8.689 -2.362 -3.384 1.00 . A A . 1 CYS H3 1 1 18 5583 1 1 1 CYS HA H 6.034 -1.566 -3.106 1.00 . A A . 1 CYS HA 1 1 18 5584 1 1 1 CYS HB2 H 8.590 -0.584 -4.056 1.00 . A A . 1 CYS HB2 1 1 18 5585 1 1 1 CYS HB3 H 7.286 -0.025 -5.103 1.00 . A A . 1 CYS HB3 1 1 18 5586 1 1 1 CYS N N 7.734 -2.770 -3.454 1.00 . A A . 1 CYS N 1 1 18 5587 1 1 1 CYS O O 6.663 -2.131 -6.236 1.00 . A A . 1 CYS O 1 1 18 5588 1 1 1 CYS SG S 7.046 0.812 -2.870 1.00 . A A . 1 CYS SG 1 1 18 5589 1 1 2 SER C C 2.600 -2.941 -6.061 1.00 . A A . 2 SER C 1 1 18 5590 1 1 2 SER CA C 4.109 -2.966 -6.314 1.00 . A A . 2 SER CA 1 1 18 5591 1 1 2 SER CB C 4.539 -4.385 -6.687 1.00 . A A . 2 SER CB 1 1 18 5592 1 1 2 SER H H 4.379 -2.539 -4.221 1.00 . A A . 2 SER H 1 1 18 5593 1 1 2 SER HA H 4.347 -2.295 -7.126 1.00 . A A . 2 SER HA 1 1 18 5594 1 1 2 SER HB2 H 3.787 -5.086 -6.369 1.00 . A A . 2 SER HB2 1 1 18 5595 1 1 2 SER HB3 H 4.660 -4.453 -7.760 1.00 . A A . 2 SER HB3 1 1 18 5596 1 1 2 SER HG H 6.483 -4.385 -6.601 1.00 . A A . 2 SER HG 1 1 18 5597 1 1 2 SER N N 4.835 -2.533 -5.088 1.00 . A A . 2 SER N 1 1 18 5598 1 1 2 SER O O 2.021 -3.908 -5.606 1.00 . A A . 2 SER O 1 1 18 5599 1 1 2 SER OG O 5.766 -4.688 -6.038 1.00 . A A . 2 SER OG 1 1 18 5600 1 1 3 CYS C C -0.161 -1.139 -7.391 1.00 . A A . 3 CYS C 1 1 18 5601 1 1 3 CYS CA C 0.484 -1.760 -6.145 1.00 . A A . 3 CYS CA 1 1 18 5602 1 1 3 CYS CB C 0.196 -0.892 -4.909 1.00 . A A . 3 CYS CB 1 1 18 5603 1 1 3 CYS H H 2.441 -1.080 -6.731 1.00 . A A . 3 CYS H 1 1 18 5604 1 1 3 CYS HA H 0.090 -2.754 -5.988 1.00 . A A . 3 CYS HA 1 1 18 5605 1 1 3 CYS HB2 H 0.378 -1.470 -4.016 1.00 . A A . 3 CYS HB2 1 1 18 5606 1 1 3 CYS HB3 H 0.845 -0.028 -4.917 1.00 . A A . 3 CYS HB3 1 1 18 5607 1 1 3 CYS N N 1.957 -1.845 -6.359 1.00 . A A . 3 CYS N 1 1 18 5608 1 1 3 CYS O O 0.501 -0.507 -8.191 1.00 . A A . 3 CYS O 1 1 18 5609 1 1 3 CYS SG S -1.532 -0.348 -4.909 1.00 . A A . 3 CYS SG 1 1 18 5610 1 1 4 SER C C -1.902 0.790 -8.756 1.00 . A A . 4 SER C 1 1 18 5611 1 1 4 SER CA C -2.121 -0.721 -8.752 1.00 . A A . 4 SER CA 1 1 18 5612 1 1 4 SER CB C -3.618 -1.021 -8.691 1.00 . A A . 4 SER CB 1 1 18 5613 1 1 4 SER H H -1.964 -1.816 -6.904 1.00 . A A . 4 SER H 1 1 18 5614 1 1 4 SER HA H -1.702 -1.146 -9.649 1.00 . A A . 4 SER HA 1 1 18 5615 1 1 4 SER HB2 H -3.802 -2.022 -9.043 1.00 . A A . 4 SER HB2 1 1 18 5616 1 1 4 SER HB3 H -3.960 -0.933 -7.668 1.00 . A A . 4 SER HB3 1 1 18 5617 1 1 4 SER HG H -3.917 -0.122 -10.390 1.00 . A A . 4 SER HG 1 1 18 5618 1 1 4 SER N N -1.445 -1.309 -7.561 1.00 . A A . 4 SER N 1 1 18 5619 1 1 4 SER O O -1.372 1.352 -9.694 1.00 . A A . 4 SER O 1 1 18 5620 1 1 4 SER OG O -4.316 -0.098 -9.518 1.00 . A A . 4 SER OG 1 1 18 5621 1 1 5 SER C C -1.609 3.283 -6.220 1.00 . A A . 5 SER C 1 1 18 5622 1 1 5 SER CA C -2.107 2.923 -7.630 1.00 . A A . 5 SER CA 1 1 18 5623 1 1 5 SER CB C -3.439 3.623 -7.921 1.00 . A A . 5 SER CB 1 1 18 5624 1 1 5 SER H H -2.713 0.969 -6.960 1.00 . A A . 5 SER H 1 1 18 5625 1 1 5 SER HA H -1.375 3.221 -8.367 1.00 . A A . 5 SER HA 1 1 18 5626 1 1 5 SER HB2 H -3.338 4.240 -8.800 1.00 . A A . 5 SER HB2 1 1 18 5627 1 1 5 SER HB3 H -4.204 2.879 -8.098 1.00 . A A . 5 SER HB3 1 1 18 5628 1 1 5 SER HG H -4.326 3.910 -6.212 1.00 . A A . 5 SER HG 1 1 18 5629 1 1 5 SER N N -2.297 1.448 -7.705 1.00 . A A . 5 SER N 1 1 18 5630 1 1 5 SER O O -2.264 3.008 -5.234 1.00 . A A . 5 SER O 1 1 18 5631 1 1 5 SER OG O -3.801 4.442 -6.815 1.00 . A A . 5 SER OG 1 1 18 5632 1 1 6 LEU C C -0.864 5.102 -3.964 1.00 . A A . 6 LEU C 1 1 18 5633 1 1 6 LEU CA C 0.110 4.216 -4.765 1.00 . A A . 6 LEU CA 1 1 18 5634 1 1 6 LEU CB C 1.444 4.952 -4.930 1.00 . A A . 6 LEU CB 1 1 18 5635 1 1 6 LEU CD1 C 2.595 3.044 -6.070 1.00 . A A . 6 LEU CD1 1 1 18 5636 1 1 6 LEU CD2 C 3.922 4.687 -4.735 1.00 . A A . 6 LEU CD2 1 1 18 5637 1 1 6 LEU CG C 2.589 3.941 -4.831 1.00 . A A . 6 LEU CG 1 1 18 5638 1 1 6 LEU H H 0.079 4.063 -6.919 1.00 . A A . 6 LEU H 1 1 18 5639 1 1 6 LEU HA H 0.288 3.301 -4.216 1.00 . A A . 6 LEU HA 1 1 18 5640 1 1 6 LEU HB2 H 1.479 5.445 -5.890 1.00 . A A . 6 LEU HB2 1 1 18 5641 1 1 6 LEU HB3 H 1.550 5.685 -4.144 1.00 . A A . 6 LEU HB3 1 1 18 5642 1 1 6 LEU HD11 H 1.599 3.000 -6.488 1.00 . A A . 6 LEU HD11 1 1 18 5643 1 1 6 LEU HD12 H 2.911 2.049 -5.793 1.00 . A A . 6 LEU HD12 1 1 18 5644 1 1 6 LEU HD13 H 3.277 3.447 -6.804 1.00 . A A . 6 LEU HD13 1 1 18 5645 1 1 6 LEU HD21 H 4.021 5.356 -5.577 1.00 . A A . 6 LEU HD21 1 1 18 5646 1 1 6 LEU HD22 H 4.734 3.975 -4.743 1.00 . A A . 6 LEU HD22 1 1 18 5647 1 1 6 LEU HD23 H 3.950 5.256 -3.818 1.00 . A A . 6 LEU HD23 1 1 18 5648 1 1 6 LEU HG H 2.451 3.332 -3.951 1.00 . A A . 6 LEU HG 1 1 18 5649 1 1 6 LEU N N -0.444 3.870 -6.114 1.00 . A A . 6 LEU N 1 1 18 5650 1 1 6 LEU O O -0.707 5.268 -2.770 1.00 . A A . 6 LEU O 1 1 18 5651 1 1 7 MET C C -3.916 5.729 -3.196 1.00 . A A . 7 MET C 1 1 18 5652 1 1 7 MET CA C -2.795 6.564 -3.835 1.00 . A A . 7 MET CA 1 1 18 5653 1 1 7 MET CB C -3.405 7.599 -4.787 1.00 . A A . 7 MET CB 1 1 18 5654 1 1 7 MET CE C -3.349 10.632 -3.345 1.00 . A A . 7 MET CE 1 1 18 5655 1 1 7 MET CG C -4.563 8.320 -4.093 1.00 . A A . 7 MET CG 1 1 18 5656 1 1 7 MET H H -1.968 5.564 -5.552 1.00 . A A . 7 MET H 1 1 18 5657 1 1 7 MET HA H -2.250 7.077 -3.056 1.00 . A A . 7 MET HA 1 1 18 5658 1 1 7 MET HB2 H -2.648 8.318 -5.064 1.00 . A A . 7 MET HB2 1 1 18 5659 1 1 7 MET HB3 H -3.771 7.105 -5.674 1.00 . A A . 7 MET HB3 1 1 18 5660 1 1 7 MET HE1 H -2.929 11.574 -3.666 1.00 . A A . 7 MET HE1 1 1 18 5661 1 1 7 MET HE2 H -2.561 9.902 -3.252 1.00 . A A . 7 MET HE2 1 1 18 5662 1 1 7 MET HE3 H -3.838 10.755 -2.389 1.00 . A A . 7 MET HE3 1 1 18 5663 1 1 7 MET HG2 H -5.498 7.870 -4.390 1.00 . A A . 7 MET HG2 1 1 18 5664 1 1 7 MET HG3 H -4.448 8.239 -3.021 1.00 . A A . 7 MET HG3 1 1 18 5665 1 1 7 MET N N -1.852 5.686 -4.592 1.00 . A A . 7 MET N 1 1 18 5666 1 1 7 MET O O -4.718 6.239 -2.438 1.00 . A A . 7 MET O 1 1 18 5667 1 1 7 MET SD S -4.557 10.066 -4.568 1.00 . A A . 7 MET SD 1 1 18 5668 1 1 8 ASP C C -4.904 3.595 -1.361 1.00 . A A . 8 ASP C 1 1 18 5669 1 1 8 ASP CA C -5.062 3.616 -2.883 1.00 . A A . 8 ASP CA 1 1 18 5670 1 1 8 ASP CB C -4.970 2.183 -3.418 1.00 . A A . 8 ASP CB 1 1 18 5671 1 1 8 ASP CG C -6.369 1.568 -3.475 1.00 . A A . 8 ASP CG 1 1 18 5672 1 1 8 ASP H H -3.336 4.058 -4.098 1.00 . A A . 8 ASP H 1 1 18 5673 1 1 8 ASP HA H -6.026 4.032 -3.137 1.00 . A A . 8 ASP HA 1 1 18 5674 1 1 8 ASP HB2 H -4.542 2.192 -4.409 1.00 . A A . 8 ASP HB2 1 1 18 5675 1 1 8 ASP HB3 H -4.347 1.594 -2.763 1.00 . A A . 8 ASP HB3 1 1 18 5676 1 1 8 ASP N N -3.986 4.458 -3.487 1.00 . A A . 8 ASP N 1 1 18 5677 1 1 8 ASP O O -4.256 4.444 -0.781 1.00 . A A . 8 ASP O 1 1 18 5678 1 1 8 ASP OD1 O -7.305 2.298 -3.756 1.00 . A A . 8 ASP OD1 1 1 18 5679 1 1 8 ASP OD2 O -6.482 0.377 -3.235 1.00 . A A . 8 ASP OD2 1 1 18 5680 1 1 9 LYS C C -4.738 1.210 1.184 1.00 . A A . 9 LYS C 1 1 18 5681 1 1 9 LYS CA C -5.381 2.548 0.779 1.00 . A A . 9 LYS CA 1 1 18 5682 1 1 9 LYS CB C -6.775 2.677 1.411 1.00 . A A . 9 LYS CB 1 1 18 5683 1 1 9 LYS CD C -6.831 5.124 0.774 1.00 . A A . 9 LYS CD 1 1 18 5684 1 1 9 LYS CE C -6.173 5.290 2.148 1.00 . A A . 9 LYS CE 1 1 18 5685 1 1 9 LYS CG C -7.582 3.787 0.709 1.00 . A A . 9 LYS CG 1 1 18 5686 1 1 9 LYS H H -6.010 1.958 -1.201 1.00 . A A . 9 LYS H 1 1 18 5687 1 1 9 LYS HA H -4.754 3.355 1.131 1.00 . A A . 9 LYS HA 1 1 18 5688 1 1 9 LYS HB2 H -7.300 1.738 1.316 1.00 . A A . 9 LYS HB2 1 1 18 5689 1 1 9 LYS HB3 H -6.671 2.924 2.458 1.00 . A A . 9 LYS HB3 1 1 18 5690 1 1 9 LYS HD2 H -6.074 5.150 0.006 1.00 . A A . 9 LYS HD2 1 1 18 5691 1 1 9 LYS HD3 H -7.531 5.934 0.615 1.00 . A A . 9 LYS HD3 1 1 18 5692 1 1 9 LYS HE2 H -6.747 4.751 2.889 1.00 . A A . 9 LYS HE2 1 1 18 5693 1 1 9 LYS HE3 H -5.168 4.898 2.115 1.00 . A A . 9 LYS HE3 1 1 18 5694 1 1 9 LYS HG2 H -7.737 3.516 -0.325 1.00 . A A . 9 LYS HG2 1 1 18 5695 1 1 9 LYS HG3 H -8.541 3.898 1.196 1.00 . A A . 9 LYS HG3 1 1 18 5696 1 1 9 LYS HZ1 H -6.009 6.835 3.535 1.00 . A A . 9 LYS HZ1 1 1 18 5697 1 1 9 LYS HZ2 H -7.023 7.189 2.220 1.00 . A A . 9 LYS HZ2 1 1 18 5698 1 1 9 LYS HZ3 H -5.336 7.192 2.020 1.00 . A A . 9 LYS HZ3 1 1 18 5699 1 1 9 LYS N N -5.494 2.629 -0.709 1.00 . A A . 9 LYS N 1 1 18 5700 1 1 9 LYS NZ N -6.132 6.736 2.507 1.00 . A A . 9 LYS NZ 1 1 18 5701 1 1 9 LYS O O -3.584 1.160 1.556 1.00 . A A . 9 LYS O 1 1 18 5702 1 1 10 GLU C C -3.858 -1.632 0.479 1.00 . A A . 10 GLU C 1 1 18 5703 1 1 10 GLU CA C -4.883 -1.190 1.514 1.00 . A A . 10 GLU CA 1 1 18 5704 1 1 10 GLU CB C -5.994 -2.233 1.592 1.00 . A A . 10 GLU CB 1 1 18 5705 1 1 10 GLU CD C -7.623 -3.338 3.125 1.00 . A A . 10 GLU CD 1 1 18 5706 1 1 10 GLU CG C -6.466 -2.342 3.034 1.00 . A A . 10 GLU CG 1 1 18 5707 1 1 10 GLU H H -6.395 0.168 0.835 1.00 . A A . 10 GLU H 1 1 18 5708 1 1 10 GLU HA H -4.406 -1.099 2.477 1.00 . A A . 10 GLU HA 1 1 18 5709 1 1 10 GLU HB2 H -6.818 -1.931 0.962 1.00 . A A . 10 GLU HB2 1 1 18 5710 1 1 10 GLU HB3 H -5.618 -3.190 1.264 1.00 . A A . 10 GLU HB3 1 1 18 5711 1 1 10 GLU HG2 H -5.646 -2.678 3.648 1.00 . A A . 10 GLU HG2 1 1 18 5712 1 1 10 GLU HG3 H -6.798 -1.372 3.371 1.00 . A A . 10 GLU HG3 1 1 18 5713 1 1 10 GLU N N -5.467 0.123 1.126 1.00 . A A . 10 GLU N 1 1 18 5714 1 1 10 GLU O O -2.875 -2.270 0.796 1.00 . A A . 10 GLU O 1 1 18 5715 1 1 10 GLU OE1 O -7.514 -4.397 2.530 1.00 . A A . 10 GLU OE1 1 1 18 5716 1 1 10 GLU OE2 O -8.598 -3.025 3.788 1.00 . A A . 10 GLU OE2 1 1 18 5717 1 1 11 CYS C C -1.858 -0.810 -1.660 1.00 . A A . 11 CYS C 1 1 18 5718 1 1 11 CYS CA C -3.098 -1.689 -1.803 1.00 . A A . 11 CYS CA 1 1 18 5719 1 1 11 CYS CB C -3.727 -1.490 -3.184 1.00 . A A . 11 CYS CB 1 1 18 5720 1 1 11 CYS H H -4.860 -0.766 -0.994 1.00 . A A . 11 CYS H 1 1 18 5721 1 1 11 CYS HA H -2.828 -2.723 -1.667 1.00 . A A . 11 CYS HA 1 1 18 5722 1 1 11 CYS HB2 H -4.632 -2.076 -3.253 1.00 . A A . 11 CYS HB2 1 1 18 5723 1 1 11 CYS HB3 H -3.964 -0.446 -3.325 1.00 . A A . 11 CYS HB3 1 1 18 5724 1 1 11 CYS N N -4.071 -1.292 -0.757 1.00 . A A . 11 CYS N 1 1 18 5725 1 1 11 CYS O O -0.844 -1.027 -2.294 1.00 . A A . 11 CYS O 1 1 18 5726 1 1 11 CYS SG S -2.566 -2.023 -4.463 1.00 . A A . 11 CYS SG 1 1 18 5727 1 1 12 VAL C C 0.158 0.528 0.438 1.00 . A A . 12 VAL C 1 1 18 5728 1 1 12 VAL CA C -0.801 1.106 -0.615 1.00 . A A . 12 VAL CA 1 1 18 5729 1 1 12 VAL CB C -1.358 2.453 -0.150 1.00 . A A . 12 VAL CB 1 1 18 5730 1 1 12 VAL CG1 C -0.264 3.272 0.516 1.00 . A A . 12 VAL CG1 1 1 18 5731 1 1 12 VAL CG2 C -1.903 3.214 -1.357 1.00 . A A . 12 VAL CG2 1 1 18 5732 1 1 12 VAL H H -2.780 0.341 -0.337 1.00 . A A . 12 VAL H 1 1 18 5733 1 1 12 VAL HA H -0.272 1.241 -1.545 1.00 . A A . 12 VAL HA 1 1 18 5734 1 1 12 VAL HB H -2.154 2.290 0.556 1.00 . A A . 12 VAL HB 1 1 18 5735 1 1 12 VAL HG11 H 0.511 3.482 -0.202 1.00 . A A . 12 VAL HG11 1 1 18 5736 1 1 12 VAL HG12 H 0.146 2.711 1.342 1.00 . A A . 12 VAL HG12 1 1 18 5737 1 1 12 VAL HG13 H -0.685 4.196 0.880 1.00 . A A . 12 VAL HG13 1 1 18 5738 1 1 12 VAL HG21 H -2.772 2.699 -1.743 1.00 . A A . 12 VAL HG21 1 1 18 5739 1 1 12 VAL HG22 H -1.144 3.264 -2.123 1.00 . A A . 12 VAL HG22 1 1 18 5740 1 1 12 VAL HG23 H -2.181 4.212 -1.057 1.00 . A A . 12 VAL HG23 1 1 18 5741 1 1 12 VAL N N -1.946 0.187 -0.826 1.00 . A A . 12 VAL N 1 1 18 5742 1 1 12 VAL O O 1.356 0.684 0.340 1.00 . A A . 12 VAL O 1 1 18 5743 1 1 13 TYR C C 1.627 -1.567 1.850 1.00 . A A . 13 TYR C 1 1 18 5744 1 1 13 TYR CA C 0.536 -0.706 2.492 1.00 . A A . 13 TYR CA 1 1 18 5745 1 1 13 TYR CB C -0.298 -1.575 3.434 1.00 . A A . 13 TYR CB 1 1 18 5746 1 1 13 TYR CD1 C -1.453 0.598 3.978 1.00 . A A . 13 TYR CD1 1 1 18 5747 1 1 13 TYR CD2 C -2.671 -1.478 4.271 1.00 . A A . 13 TYR CD2 1 1 18 5748 1 1 13 TYR CE1 C -2.572 1.316 4.417 1.00 . A A . 13 TYR CE1 1 1 18 5749 1 1 13 TYR CE2 C -3.790 -0.760 4.709 1.00 . A A . 13 TYR CE2 1 1 18 5750 1 1 13 TYR CG C -1.503 -0.800 3.905 1.00 . A A . 13 TYR CG 1 1 18 5751 1 1 13 TYR CZ C -3.740 0.638 4.783 1.00 . A A . 13 TYR CZ 1 1 18 5752 1 1 13 TYR H H -1.322 -0.254 1.511 1.00 . A A . 13 TYR H 1 1 18 5753 1 1 13 TYR HA H 0.992 0.094 3.054 1.00 . A A . 13 TYR HA 1 1 18 5754 1 1 13 TYR HB2 H -0.623 -2.463 2.911 1.00 . A A . 13 TYR HB2 1 1 18 5755 1 1 13 TYR HB3 H 0.299 -1.859 4.284 1.00 . A A . 13 TYR HB3 1 1 18 5756 1 1 13 TYR HD1 H -0.552 1.122 3.696 1.00 . A A . 13 TYR HD1 1 1 18 5757 1 1 13 TYR HD2 H -2.710 -2.556 4.214 1.00 . A A . 13 TYR HD2 1 1 18 5758 1 1 13 TYR HE1 H -2.534 2.394 4.473 1.00 . A A . 13 TYR HE1 1 1 18 5759 1 1 13 TYR HE2 H -4.691 -1.283 4.992 1.00 . A A . 13 TYR HE2 1 1 18 5760 1 1 13 TYR HH H -4.953 2.104 4.638 1.00 . A A . 13 TYR HH 1 1 18 5761 1 1 13 TYR N N -0.354 -0.134 1.442 1.00 . A A . 13 TYR N 1 1 18 5762 1 1 13 TYR O O 2.660 -1.817 2.438 1.00 . A A . 13 TYR O 1 1 18 5763 1 1 13 TYR OH O -4.842 1.345 5.216 1.00 . A A . 13 TYR OH 1 1 18 5764 1 1 14 PHE C C 3.656 -2.099 -0.389 1.00 . A A . 14 PHE C 1 1 18 5765 1 1 14 PHE CA C 2.410 -2.907 -0.008 1.00 . A A . 14 PHE CA 1 1 18 5766 1 1 14 PHE CB C 1.787 -3.523 -1.256 1.00 . A A . 14 PHE CB 1 1 18 5767 1 1 14 PHE CD1 C 0.365 -4.787 0.389 1.00 . A A . 14 PHE CD1 1 1 18 5768 1 1 14 PHE CD2 C -0.592 -4.192 -1.758 1.00 . A A . 14 PHE CD2 1 1 18 5769 1 1 14 PHE CE1 C -0.837 -5.400 0.757 1.00 . A A . 14 PHE CE1 1 1 18 5770 1 1 14 PHE CE2 C -1.795 -4.806 -1.389 1.00 . A A . 14 PHE CE2 1 1 18 5771 1 1 14 PHE CG C 0.489 -4.183 -0.869 1.00 . A A . 14 PHE CG 1 1 18 5772 1 1 14 PHE CZ C -1.917 -5.410 -0.131 1.00 . A A . 14 PHE CZ 1 1 18 5773 1 1 14 PHE H H 0.548 -1.844 0.209 1.00 . A A . 14 PHE H 1 1 18 5774 1 1 14 PHE HA H 2.696 -3.697 0.670 1.00 . A A . 14 PHE HA 1 1 18 5775 1 1 14 PHE HB2 H 1.598 -2.749 -1.987 1.00 . A A . 14 PHE HB2 1 1 18 5776 1 1 14 PHE HB3 H 2.457 -4.259 -1.673 1.00 . A A . 14 PHE HB3 1 1 18 5777 1 1 14 PHE HD1 H 1.199 -4.780 1.076 1.00 . A A . 14 PHE HD1 1 1 18 5778 1 1 14 PHE HD2 H -0.497 -3.727 -2.727 1.00 . A A . 14 PHE HD2 1 1 18 5779 1 1 14 PHE HE1 H -0.931 -5.866 1.727 1.00 . A A . 14 PHE HE1 1 1 18 5780 1 1 14 PHE HE2 H -2.630 -4.813 -2.074 1.00 . A A . 14 PHE HE2 1 1 18 5781 1 1 14 PHE HZ H -2.845 -5.883 0.154 1.00 . A A . 14 PHE HZ 1 1 18 5782 1 1 14 PHE N N 1.397 -2.042 0.660 1.00 . A A . 14 PHE N 1 1 18 5783 1 1 14 PHE O O 4.750 -2.624 -0.434 1.00 . A A . 14 PHE O 1 1 18 5784 1 1 15 CYS C C 5.461 0.443 0.208 1.00 . A A . 15 CYS C 1 1 18 5785 1 1 15 CYS CA C 4.696 -0.011 -1.047 1.00 . A A . 15 CYS CA 1 1 18 5786 1 1 15 CYS CB C 4.234 1.219 -1.829 1.00 . A A . 15 CYS CB 1 1 18 5787 1 1 15 CYS H H 2.622 -0.422 -0.635 1.00 . A A . 15 CYS H 1 1 18 5788 1 1 15 CYS HA H 5.352 -0.601 -1.670 1.00 . A A . 15 CYS HA 1 1 18 5789 1 1 15 CYS HB2 H 3.180 1.132 -2.046 1.00 . A A . 15 CYS HB2 1 1 18 5790 1 1 15 CYS HB3 H 4.409 2.107 -1.241 1.00 . A A . 15 CYS HB3 1 1 18 5791 1 1 15 CYS N N 3.509 -0.832 -0.667 1.00 . A A . 15 CYS N 1 1 18 5792 1 1 15 CYS O O 6.143 1.449 0.187 1.00 . A A . 15 CYS O 1 1 18 5793 1 1 15 CYS SG S 5.161 1.330 -3.380 1.00 . A A . 15 CYS SG 1 1 18 5794 1 1 16 HIS C C 5.364 1.266 3.226 1.00 . A A . 16 HIS C 1 1 18 5795 1 1 16 HIS CA C 6.099 0.116 2.531 1.00 . A A . 16 HIS CA 1 1 18 5796 1 1 16 HIS CB C 7.514 0.568 2.161 1.00 . A A . 16 HIS CB 1 1 18 5797 1 1 16 HIS CD2 C 8.345 -0.894 4.180 1.00 . A A . 16 HIS CD2 1 1 18 5798 1 1 16 HIS CE1 C 10.478 -0.654 3.886 1.00 . A A . 16 HIS CE1 1 1 18 5799 1 1 16 HIS CG C 8.506 -0.089 3.079 1.00 . A A . 16 HIS CG 1 1 18 5800 1 1 16 HIS H H 4.817 -1.093 1.298 1.00 . A A . 16 HIS H 1 1 18 5801 1 1 16 HIS HA H 6.161 -0.730 3.199 1.00 . A A . 16 HIS HA 1 1 18 5802 1 1 16 HIS HB2 H 7.726 0.287 1.139 1.00 . A A . 16 HIS HB2 1 1 18 5803 1 1 16 HIS HB3 H 7.586 1.641 2.261 1.00 . A A . 16 HIS HB3 1 1 18 5804 1 1 16 HIS HD1 H 10.322 0.568 2.208 1.00 . A A . 16 HIS HD1 1 1 18 5805 1 1 16 HIS HD2 H 7.394 -1.203 4.590 1.00 . A A . 16 HIS HD2 1 1 18 5806 1 1 16 HIS HE1 H 11.548 -0.728 4.005 1.00 . A A . 16 HIS HE1 1 1 18 5807 1 1 16 HIS N N 5.365 -0.284 1.294 1.00 . A A . 16 HIS N 1 1 18 5808 1 1 16 HIS ND1 N 9.875 0.051 2.910 1.00 . A A . 16 HIS ND1 1 1 18 5809 1 1 16 HIS NE2 N 9.591 -1.249 4.688 1.00 . A A . 16 HIS NE2 1 1 18 5810 1 1 16 HIS O O 5.975 2.187 3.730 1.00 . A A . 16 HIS O 1 1 18 5811 1 1 17 LEU C C 2.736 1.825 5.245 1.00 . A A . 17 LEU C 1 1 18 5812 1 1 17 LEU CA C 3.296 2.315 3.908 1.00 . A A . 17 LEU CA 1 1 18 5813 1 1 17 LEU CB C 2.148 2.710 2.993 1.00 . A A . 17 LEU CB 1 1 18 5814 1 1 17 LEU CD1 C 3.777 4.375 2.076 1.00 . A A . 17 LEU CD1 1 1 18 5815 1 1 17 LEU CD2 C 3.297 2.278 0.811 1.00 . A A . 17 LEU CD2 1 1 18 5816 1 1 17 LEU CG C 2.695 3.356 1.715 1.00 . A A . 17 LEU CG 1 1 18 5817 1 1 17 LEU H H 3.574 0.490 2.843 1.00 . A A . 17 LEU H 1 1 18 5818 1 1 17 LEU HA H 3.940 3.165 4.070 1.00 . A A . 17 LEU HA 1 1 18 5819 1 1 17 LEU HB2 H 1.576 1.833 2.740 1.00 . A A . 17 LEU HB2 1 1 18 5820 1 1 17 LEU HB3 H 1.521 3.401 3.502 1.00 . A A . 17 LEU HB3 1 1 18 5821 1 1 17 LEU HD11 H 3.604 4.744 3.075 1.00 . A A . 17 LEU HD11 1 1 18 5822 1 1 17 LEU HD12 H 3.743 5.197 1.376 1.00 . A A . 17 LEU HD12 1 1 18 5823 1 1 17 LEU HD13 H 4.746 3.901 2.028 1.00 . A A . 17 LEU HD13 1 1 18 5824 1 1 17 LEU HD21 H 2.826 2.317 -0.159 1.00 . A A . 17 LEU HD21 1 1 18 5825 1 1 17 LEU HD22 H 3.133 1.306 1.250 1.00 . A A . 17 LEU HD22 1 1 18 5826 1 1 17 LEU HD23 H 4.358 2.449 0.704 1.00 . A A . 17 LEU HD23 1 1 18 5827 1 1 17 LEU HG H 1.892 3.857 1.194 1.00 . A A . 17 LEU HG 1 1 18 5828 1 1 17 LEU N N 4.058 1.227 3.256 1.00 . A A . 17 LEU N 1 1 18 5829 1 1 17 LEU O O 1.539 1.747 5.437 1.00 . A A . 17 LEU O 1 1 18 5830 1 1 18 ASP C C 1.930 0.092 7.345 1.00 . A A . 18 ASP C 1 1 18 5831 1 1 18 ASP CA C 3.135 1.026 7.504 1.00 . A A . 18 ASP CA 1 1 18 5832 1 1 18 ASP CB C 2.739 2.231 8.359 1.00 . A A . 18 ASP CB 1 1 18 5833 1 1 18 ASP CG C 1.528 2.927 7.734 1.00 . A A . 18 ASP CG 1 1 18 5834 1 1 18 ASP H H 4.550 1.587 5.989 1.00 . A A . 18 ASP H 1 1 18 5835 1 1 18 ASP HA H 3.940 0.495 7.992 1.00 . A A . 18 ASP HA 1 1 18 5836 1 1 18 ASP HB2 H 2.490 1.897 9.353 1.00 . A A . 18 ASP HB2 1 1 18 5837 1 1 18 ASP HB3 H 3.564 2.924 8.407 1.00 . A A . 18 ASP HB3 1 1 18 5838 1 1 18 ASP N N 3.596 1.505 6.171 1.00 . A A . 18 ASP N 1 1 18 5839 1 1 18 ASP O O 0.807 0.465 7.621 1.00 . A A . 18 ASP O 1 1 18 5840 1 1 18 ASP OD1 O 1.719 3.664 6.781 1.00 . A A . 18 ASP OD1 1 1 18 5841 1 1 18 ASP OD2 O 0.430 2.711 8.220 1.00 . A A . 18 ASP OD2 1 1 18 5842 1 1 19 ILE C C 0.417 -2.420 8.097 1.00 . A A . 19 ILE C 1 1 18 5843 1 1 19 ILE CA C 1.012 -2.065 6.730 1.00 . A A . 19 ILE CA 1 1 18 5844 1 1 19 ILE CB C 1.526 -3.338 6.058 1.00 . A A . 19 ILE CB 1 1 18 5845 1 1 19 ILE CD1 C 2.099 -5.542 7.086 1.00 . A A . 19 ILE CD1 1 1 18 5846 1 1 19 ILE CG1 C 2.480 -4.064 7.008 1.00 . A A . 19 ILE CG1 1 1 18 5847 1 1 19 ILE CG2 C 2.272 -2.977 4.773 1.00 . A A . 19 ILE CG2 1 1 18 5848 1 1 19 ILE H H 3.061 -1.407 6.678 1.00 . A A . 19 ILE H 1 1 18 5849 1 1 19 ILE HA H 0.253 -1.611 6.112 1.00 . A A . 19 ILE HA 1 1 18 5850 1 1 19 ILE HB H 0.694 -3.977 5.822 1.00 . A A . 19 ILE HB 1 1 18 5851 1 1 19 ILE HD11 H 2.960 -6.120 7.387 1.00 . A A . 19 ILE HD11 1 1 18 5852 1 1 19 ILE HD12 H 1.760 -5.877 6.118 1.00 . A A . 19 ILE HD12 1 1 18 5853 1 1 19 ILE HD13 H 1.308 -5.671 7.809 1.00 . A A . 19 ILE HD13 1 1 18 5854 1 1 19 ILE HG12 H 3.490 -3.973 6.639 1.00 . A A . 19 ILE HG12 1 1 18 5855 1 1 19 ILE HG13 H 2.415 -3.626 7.991 1.00 . A A . 19 ILE HG13 1 1 18 5856 1 1 19 ILE HG21 H 3.213 -3.506 4.742 1.00 . A A . 19 ILE HG21 1 1 18 5857 1 1 19 ILE HG22 H 2.456 -1.913 4.750 1.00 . A A . 19 ILE HG22 1 1 18 5858 1 1 19 ILE HG23 H 1.673 -3.258 3.919 1.00 . A A . 19 ILE HG23 1 1 18 5859 1 1 19 ILE N N 2.149 -1.118 6.901 1.00 . A A . 19 ILE N 1 1 18 5860 1 1 19 ILE O O 0.401 -3.568 8.495 1.00 . A A . 19 ILE O 1 1 18 5861 1 1 20 ILE C C -2.070 -2.300 10.004 1.00 . A A . 20 ILE C 1 1 18 5862 1 1 20 ILE CA C -0.649 -1.749 10.158 1.00 . A A . 20 ILE CA 1 1 18 5863 1 1 20 ILE CB C -0.687 -0.456 10.967 1.00 . A A . 20 ILE CB 1 1 18 5864 1 1 20 ILE CD1 C -0.391 -1.814 13.041 1.00 . A A . 20 ILE CD1 1 1 18 5865 1 1 20 ILE CG1 C -1.236 -0.734 12.361 1.00 . A A . 20 ILE CG1 1 1 18 5866 1 1 20 ILE CG2 C -1.588 0.559 10.262 1.00 . A A . 20 ILE CG2 1 1 18 5867 1 1 20 ILE H H -0.052 -0.525 8.501 1.00 . A A . 20 ILE H 1 1 18 5868 1 1 20 ILE HA H -0.032 -2.474 10.667 1.00 . A A . 20 ILE HA 1 1 18 5869 1 1 20 ILE HB H 0.313 -0.053 11.045 1.00 . A A . 20 ILE HB 1 1 18 5870 1 1 20 ILE HD11 H -0.988 -2.703 13.178 1.00 . A A . 20 ILE HD11 1 1 18 5871 1 1 20 ILE HD12 H -0.052 -1.455 14.001 1.00 . A A . 20 ILE HD12 1 1 18 5872 1 1 20 ILE HD13 H 0.463 -2.046 12.421 1.00 . A A . 20 ILE HD13 1 1 18 5873 1 1 20 ILE HG12 H -1.194 0.173 12.940 1.00 . A A . 20 ILE HG12 1 1 18 5874 1 1 20 ILE HG13 H -2.259 -1.070 12.289 1.00 . A A . 20 ILE HG13 1 1 18 5875 1 1 20 ILE HG21 H -2.118 0.072 9.456 1.00 . A A . 20 ILE HG21 1 1 18 5876 1 1 20 ILE HG22 H -0.985 1.361 9.862 1.00 . A A . 20 ILE HG22 1 1 18 5877 1 1 20 ILE HG23 H -2.298 0.962 10.969 1.00 . A A . 20 ILE HG23 1 1 18 5878 1 1 20 ILE N N -0.070 -1.452 8.825 1.00 . A A . 20 ILE N 1 1 18 5879 1 1 20 ILE O O -3.027 -1.689 10.437 1.00 . A A . 20 ILE O 1 1 18 5880 1 1 21 TRP C C -4.301 -4.032 10.597 1.00 . A A . 21 TRP C 1 1 18 5881 1 1 21 TRP CA C -3.596 -4.012 9.240 1.00 . A A . 21 TRP CA 1 1 18 5882 1 1 21 TRP CB C -3.544 -5.439 8.677 1.00 . A A . 21 TRP CB 1 1 18 5883 1 1 21 TRP CD1 C -1.721 -7.140 8.295 1.00 . A A . 21 TRP CD1 1 1 18 5884 1 1 21 TRP CD2 C -1.360 -5.947 10.171 1.00 . A A . 21 TRP CD2 1 1 18 5885 1 1 21 TRP CE2 C -0.288 -6.865 10.055 1.00 . A A . 21 TRP CE2 1 1 18 5886 1 1 21 TRP CE3 C -1.361 -5.076 11.279 1.00 . A A . 21 TRP CE3 1 1 18 5887 1 1 21 TRP CG C -2.261 -6.139 9.030 1.00 . A A . 21 TRP CG 1 1 18 5888 1 1 21 TRP CH2 C 0.718 -6.050 12.091 1.00 . A A . 21 TRP CH2 1 1 18 5889 1 1 21 TRP CZ2 C 0.738 -6.919 11.000 1.00 . A A . 21 TRP CZ2 1 1 18 5890 1 1 21 TRP CZ3 C -0.330 -5.129 12.230 1.00 . A A . 21 TRP CZ3 1 1 18 5891 1 1 21 TRP H H -1.449 -3.938 9.053 1.00 . A A . 21 TRP H 1 1 18 5892 1 1 21 TRP HA H -4.156 -3.385 8.562 1.00 . A A . 21 TRP HA 1 1 18 5893 1 1 21 TRP HB2 H -4.371 -6.005 9.076 1.00 . A A . 21 TRP HB2 1 1 18 5894 1 1 21 TRP HB3 H -3.638 -5.394 7.601 1.00 . A A . 21 TRP HB3 1 1 18 5895 1 1 21 TRP HD1 H -2.137 -7.539 7.380 1.00 . A A . 21 TRP HD1 1 1 18 5896 1 1 21 TRP HE1 H 0.028 -8.280 8.561 1.00 . A A . 21 TRP HE1 1 1 18 5897 1 1 21 TRP HE3 H -2.157 -4.362 11.396 1.00 . A A . 21 TRP HE3 1 1 18 5898 1 1 21 TRP HH2 H 1.508 -6.085 12.826 1.00 . A A . 21 TRP HH2 1 1 18 5899 1 1 21 TRP HZ2 H 1.543 -7.631 10.887 1.00 . A A . 21 TRP HZ2 1 1 18 5900 1 1 21 TRP HZ3 H -0.344 -4.458 13.076 1.00 . A A . 21 TRP HZ3 1 1 18 5901 1 1 21 TRP N N -2.225 -3.450 9.398 1.00 . A A . 21 TRP N 1 1 18 5902 1 1 21 TRP NE1 N -0.554 -7.566 8.898 1.00 . A A . 21 TRP NE1 1 1 18 5903 1 1 21 TRP O O -4.251 -5.059 11.255 1.00 . A A . 21 TRP O 1 1 18 5904 1 1 21 TRP OXT O -4.879 -3.019 10.957 1.00 . A A . 21 TRP OXT 1 1 19 5905 1 1 1 CYS C C 6.053 -1.576 -6.224 1.00 . A A . 1 CYS C 1 1 19 5906 1 1 1 CYS CA C 6.876 -2.813 -5.861 1.00 . A A . 1 CYS CA 1 1 19 5907 1 1 1 CYS CB C 6.504 -3.278 -4.451 1.00 . A A . 1 CYS CB 1 1 19 5908 1 1 1 CYS H1 H 8.518 -1.684 -5.259 1.00 . A A . 1 CYS H1 1 1 19 5909 1 1 1 CYS H2 H 8.589 -2.202 -6.875 1.00 . A A . 1 CYS H2 1 1 19 5910 1 1 1 CYS H3 H 8.885 -3.302 -5.613 1.00 . A A . 1 CYS H3 1 1 19 5911 1 1 1 CYS HA H 6.669 -3.604 -6.567 1.00 . A A . 1 CYS HA 1 1 19 5912 1 1 1 CYS HB2 H 5.505 -3.691 -4.460 1.00 . A A . 1 CYS HB2 1 1 19 5913 1 1 1 CYS HB3 H 7.202 -4.035 -4.125 1.00 . A A . 1 CYS HB3 1 1 19 5914 1 1 1 CYS N N 8.326 -2.475 -5.905 1.00 . A A . 1 CYS N 1 1 19 5915 1 1 1 CYS O O 6.584 -0.498 -6.406 1.00 . A A . 1 CYS O 1 1 19 5916 1 1 1 CYS SG S 6.563 -1.871 -3.311 1.00 . A A . 1 CYS SG 1 1 19 5917 1 1 2 SER C C 2.472 -1.006 -6.933 1.00 . A A . 2 SER C 1 1 19 5918 1 1 2 SER CA C 3.910 -0.547 -6.678 1.00 . A A . 2 SER CA 1 1 19 5919 1 1 2 SER CB C 4.460 0.123 -7.938 1.00 . A A . 2 SER CB 1 1 19 5920 1 1 2 SER H H 4.350 -2.597 -6.178 1.00 . A A . 2 SER H 1 1 19 5921 1 1 2 SER HA H 3.922 0.161 -5.861 1.00 . A A . 2 SER HA 1 1 19 5922 1 1 2 SER HB2 H 5.106 -0.563 -8.460 1.00 . A A . 2 SER HB2 1 1 19 5923 1 1 2 SER HB3 H 3.639 0.402 -8.584 1.00 . A A . 2 SER HB3 1 1 19 5924 1 1 2 SER HG H 4.864 1.594 -6.729 1.00 . A A . 2 SER HG 1 1 19 5925 1 1 2 SER N N 4.761 -1.719 -6.330 1.00 . A A . 2 SER N 1 1 19 5926 1 1 2 SER O O 2.154 -1.523 -7.985 1.00 . A A . 2 SER O 1 1 19 5927 1 1 2 SER OG O 5.204 1.277 -7.569 1.00 . A A . 2 SER OG 1 1 19 5928 1 1 3 CYS C C -0.370 -0.557 -7.436 1.00 . A A . 3 CYS C 1 1 19 5929 1 1 3 CYS CA C 0.181 -1.240 -6.179 1.00 . A A . 3 CYS CA 1 1 19 5930 1 1 3 CYS CB C -0.659 -0.837 -4.956 1.00 . A A . 3 CYS CB 1 1 19 5931 1 1 3 CYS H H 1.873 -0.394 -5.140 1.00 . A A . 3 CYS H 1 1 19 5932 1 1 3 CYS HA H 0.146 -2.313 -6.303 1.00 . A A . 3 CYS HA 1 1 19 5933 1 1 3 CYS HB2 H -0.412 -1.480 -4.127 1.00 . A A . 3 CYS HB2 1 1 19 5934 1 1 3 CYS HB3 H -0.446 0.189 -4.692 1.00 . A A . 3 CYS HB3 1 1 19 5935 1 1 3 CYS N N 1.598 -0.816 -5.980 1.00 . A A . 3 CYS N 1 1 19 5936 1 1 3 CYS O O 0.175 0.422 -7.904 1.00 . A A . 3 CYS O 1 1 19 5937 1 1 3 CYS SG S -2.422 -1.004 -5.329 1.00 . A A . 3 CYS SG 1 1 19 5938 1 1 4 SER C C -1.994 1.078 -9.072 1.00 . A A . 4 SER C 1 1 19 5939 1 1 4 SER CA C -2.025 -0.443 -9.212 1.00 . A A . 4 SER CA 1 1 19 5940 1 1 4 SER CB C -3.470 -0.910 -9.383 1.00 . A A . 4 SER CB 1 1 19 5941 1 1 4 SER H H -1.864 -1.857 -7.593 1.00 . A A . 4 SER H 1 1 19 5942 1 1 4 SER HA H -1.447 -0.735 -10.071 1.00 . A A . 4 SER HA 1 1 19 5943 1 1 4 SER HB2 H -3.484 -1.887 -9.837 1.00 . A A . 4 SER HB2 1 1 19 5944 1 1 4 SER HB3 H -3.949 -0.958 -8.414 1.00 . A A . 4 SER HB3 1 1 19 5945 1 1 4 SER HG H -3.597 0.206 -10.973 1.00 . A A . 4 SER HG 1 1 19 5946 1 1 4 SER N N -1.443 -1.066 -7.986 1.00 . A A . 4 SER N 1 1 19 5947 1 1 4 SER O O -1.442 1.778 -9.898 1.00 . A A . 4 SER O 1 1 19 5948 1 1 4 SER OG O -4.162 0.005 -10.223 1.00 . A A . 4 SER OG 1 1 19 5949 1 1 5 SER C C -1.783 3.382 -6.536 1.00 . A A . 5 SER C 1 1 19 5950 1 1 5 SER CA C -2.570 3.066 -7.821 1.00 . A A . 5 SER CA 1 1 19 5951 1 1 5 SER CB C -4.014 3.569 -7.698 1.00 . A A . 5 SER CB 1 1 19 5952 1 1 5 SER H H -3.002 1.004 -7.372 1.00 . A A . 5 SER H 1 1 19 5953 1 1 5 SER HA H -2.094 3.538 -8.669 1.00 . A A . 5 SER HA 1 1 19 5954 1 1 5 SER HB2 H -4.193 4.337 -8.432 1.00 . A A . 5 SER HB2 1 1 19 5955 1 1 5 SER HB3 H -4.695 2.747 -7.875 1.00 . A A . 5 SER HB3 1 1 19 5956 1 1 5 SER HG H -3.706 4.910 -6.322 1.00 . A A . 5 SER HG 1 1 19 5957 1 1 5 SER N N -2.573 1.592 -8.027 1.00 . A A . 5 SER N 1 1 19 5958 1 1 5 SER O O -2.172 2.995 -5.451 1.00 . A A . 5 SER O 1 1 19 5959 1 1 5 SER OG O -4.225 4.106 -6.398 1.00 . A A . 5 SER OG 1 1 19 5960 1 1 6 LEU C C -0.631 5.152 -4.389 1.00 . A A . 6 LEU C 1 1 19 5961 1 1 6 LEU CA C 0.164 4.356 -5.442 1.00 . A A . 6 LEU CA 1 1 19 5962 1 1 6 LEU CB C 1.408 5.157 -5.854 1.00 . A A . 6 LEU CB 1 1 19 5963 1 1 6 LEU CD1 C 2.318 3.392 -7.372 1.00 . A A . 6 LEU CD1 1 1 19 5964 1 1 6 LEU CD2 C 3.871 4.983 -6.232 1.00 . A A . 6 LEU CD2 1 1 19 5965 1 1 6 LEU CG C 2.569 4.191 -6.092 1.00 . A A . 6 LEU CG 1 1 19 5966 1 1 6 LEU H H -0.354 4.333 -7.539 1.00 . A A . 6 LEU H 1 1 19 5967 1 1 6 LEU HA H 0.491 3.424 -5.002 1.00 . A A . 6 LEU HA 1 1 19 5968 1 1 6 LEU HB2 H 1.210 5.712 -6.760 1.00 . A A . 6 LEU HB2 1 1 19 5969 1 1 6 LEU HB3 H 1.672 5.843 -5.063 1.00 . A A . 6 LEU HB3 1 1 19 5970 1 1 6 LEU HD11 H 3.104 2.661 -7.500 1.00 . A A . 6 LEU HD11 1 1 19 5971 1 1 6 LEU HD12 H 2.309 4.062 -8.219 1.00 . A A . 6 LEU HD12 1 1 19 5972 1 1 6 LEU HD13 H 1.366 2.888 -7.301 1.00 . A A . 6 LEU HD13 1 1 19 5973 1 1 6 LEU HD21 H 4.660 4.477 -5.695 1.00 . A A . 6 LEU HD21 1 1 19 5974 1 1 6 LEU HD22 H 3.735 5.974 -5.823 1.00 . A A . 6 LEU HD22 1 1 19 5975 1 1 6 LEU HD23 H 4.137 5.058 -7.276 1.00 . A A . 6 LEU HD23 1 1 19 5976 1 1 6 LEU HG H 2.645 3.512 -5.257 1.00 . A A . 6 LEU HG 1 1 19 5977 1 1 6 LEU N N -0.664 4.052 -6.653 1.00 . A A . 6 LEU N 1 1 19 5978 1 1 6 LEU O O -0.237 5.220 -3.242 1.00 . A A . 6 LEU O 1 1 19 5979 1 1 7 MET C C -3.499 5.642 -3.004 1.00 . A A . 7 MET C 1 1 19 5980 1 1 7 MET CA C -2.505 6.549 -3.743 1.00 . A A . 7 MET CA 1 1 19 5981 1 1 7 MET CB C -3.267 7.674 -4.452 1.00 . A A . 7 MET CB 1 1 19 5982 1 1 7 MET CE C -5.969 10.365 -2.998 1.00 . A A . 7 MET CE 1 1 19 5983 1 1 7 MET CG C -4.273 8.301 -3.486 1.00 . A A . 7 MET CG 1 1 19 5984 1 1 7 MET H H -2.042 5.719 -5.672 1.00 . A A . 7 MET H 1 1 19 5985 1 1 7 MET HA H -1.820 6.981 -3.028 1.00 . A A . 7 MET HA 1 1 19 5986 1 1 7 MET HB2 H -2.567 8.428 -4.783 1.00 . A A . 7 MET HB2 1 1 19 5987 1 1 7 MET HB3 H -3.792 7.273 -5.306 1.00 . A A . 7 MET HB3 1 1 19 5988 1 1 7 MET HE1 H -6.183 11.426 -2.988 1.00 . A A . 7 MET HE1 1 1 19 5989 1 1 7 MET HE2 H -5.945 9.997 -1.986 1.00 . A A . 7 MET HE2 1 1 19 5990 1 1 7 MET HE3 H -6.736 9.843 -3.552 1.00 . A A . 7 MET HE3 1 1 19 5991 1 1 7 MET HG2 H -5.247 7.862 -3.645 1.00 . A A . 7 MET HG2 1 1 19 5992 1 1 7 MET HG3 H -3.959 8.123 -2.469 1.00 . A A . 7 MET HG3 1 1 19 5993 1 1 7 MET N N -1.731 5.764 -4.750 1.00 . A A . 7 MET N 1 1 19 5994 1 1 7 MET O O -4.161 6.066 -2.078 1.00 . A A . 7 MET O 1 1 19 5995 1 1 7 MET SD S -4.363 10.085 -3.784 1.00 . A A . 7 MET SD 1 1 19 5996 1 1 8 ASP C C -4.358 3.573 -1.196 1.00 . A A . 8 ASP C 1 1 19 5997 1 1 8 ASP CA C -4.567 3.488 -2.710 1.00 . A A . 8 ASP CA 1 1 19 5998 1 1 8 ASP CB C -4.330 2.047 -3.171 1.00 . A A . 8 ASP CB 1 1 19 5999 1 1 8 ASP CG C -5.596 1.221 -2.939 1.00 . A A . 8 ASP CG 1 1 19 6000 1 1 8 ASP H H -3.077 4.074 -4.147 1.00 . A A . 8 ASP H 1 1 19 6001 1 1 8 ASP HA H -5.580 3.779 -2.949 1.00 . A A . 8 ASP HA 1 1 19 6002 1 1 8 ASP HB2 H -4.082 2.039 -4.221 1.00 . A A . 8 ASP HB2 1 1 19 6003 1 1 8 ASP HB3 H -3.515 1.618 -2.606 1.00 . A A . 8 ASP HB3 1 1 19 6004 1 1 8 ASP N N -3.613 4.403 -3.400 1.00 . A A . 8 ASP N 1 1 19 6005 1 1 8 ASP O O -3.500 4.286 -0.716 1.00 . A A . 8 ASP O 1 1 19 6006 1 1 8 ASP OD1 O -6.408 1.634 -2.127 1.00 . A A . 8 ASP OD1 1 1 19 6007 1 1 8 ASP OD2 O -5.732 0.190 -3.576 1.00 . A A . 8 ASP OD2 1 1 19 6008 1 1 9 LYS C C -4.413 1.538 1.531 1.00 . A A . 9 LYS C 1 1 19 6009 1 1 9 LYS CA C -4.991 2.877 1.041 1.00 . A A . 9 LYS CA 1 1 19 6010 1 1 9 LYS CB C -6.358 3.136 1.696 1.00 . A A . 9 LYS CB 1 1 19 6011 1 1 9 LYS CD C -6.249 5.635 1.516 1.00 . A A . 9 LYS CD 1 1 19 6012 1 1 9 LYS CE C -5.132 5.936 0.515 1.00 . A A . 9 LYS CE 1 1 19 6013 1 1 9 LYS CG C -7.009 4.381 1.075 1.00 . A A . 9 LYS CG 1 1 19 6014 1 1 9 LYS H H -5.819 2.281 -0.860 1.00 . A A . 9 LYS H 1 1 19 6015 1 1 9 LYS HA H -4.308 3.670 1.312 1.00 . A A . 9 LYS HA 1 1 19 6016 1 1 9 LYS HB2 H -6.998 2.282 1.542 1.00 . A A . 9 LYS HB2 1 1 19 6017 1 1 9 LYS HB3 H -6.222 3.298 2.755 1.00 . A A . 9 LYS HB3 1 1 19 6018 1 1 9 LYS HD2 H -6.932 6.472 1.558 1.00 . A A . 9 LYS HD2 1 1 19 6019 1 1 9 LYS HD3 H -5.821 5.471 2.493 1.00 . A A . 9 LYS HD3 1 1 19 6020 1 1 9 LYS HE2 H -4.213 5.485 0.856 1.00 . A A . 9 LYS HE2 1 1 19 6021 1 1 9 LYS HE3 H -5.396 5.532 -0.451 1.00 . A A . 9 LYS HE3 1 1 19 6022 1 1 9 LYS HG2 H -6.987 4.304 -0.003 1.00 . A A . 9 LYS HG2 1 1 19 6023 1 1 9 LYS HG3 H -8.035 4.455 1.407 1.00 . A A . 9 LYS HG3 1 1 19 6024 1 1 9 LYS HZ1 H -5.738 7.818 -0.139 1.00 . A A . 9 LYS HZ1 1 1 19 6025 1 1 9 LYS HZ2 H -4.053 7.614 -0.081 1.00 . A A . 9 LYS HZ2 1 1 19 6026 1 1 9 LYS HZ3 H -4.936 7.832 1.355 1.00 . A A . 9 LYS HZ3 1 1 19 6027 1 1 9 LYS N N -5.138 2.847 -0.445 1.00 . A A . 9 LYS N 1 1 19 6028 1 1 9 LYS NZ N -4.951 7.411 0.403 1.00 . A A . 9 LYS NZ 1 1 19 6029 1 1 9 LYS O O -3.247 1.453 1.865 1.00 . A A . 9 LYS O 1 1 19 6030 1 1 10 GLU C C -3.761 -1.410 0.968 1.00 . A A . 10 GLU C 1 1 19 6031 1 1 10 GLU CA C -4.655 -0.815 2.053 1.00 . A A . 10 GLU CA 1 1 19 6032 1 1 10 GLU CB C -5.803 -1.780 2.352 1.00 . A A . 10 GLU CB 1 1 19 6033 1 1 10 GLU CD C -7.984 -1.943 3.557 1.00 . A A . 10 GLU CD 1 1 19 6034 1 1 10 GLU CG C -7.005 -0.992 2.866 1.00 . A A . 10 GLU CG 1 1 19 6035 1 1 10 GLU H H -6.136 0.555 1.315 1.00 . A A . 10 GLU H 1 1 19 6036 1 1 10 GLU HA H -4.075 -0.655 2.948 1.00 . A A . 10 GLU HA 1 1 19 6037 1 1 10 GLU HB2 H -6.075 -2.307 1.448 1.00 . A A . 10 GLU HB2 1 1 19 6038 1 1 10 GLU HB3 H -5.491 -2.490 3.103 1.00 . A A . 10 GLU HB3 1 1 19 6039 1 1 10 GLU HG2 H -6.667 -0.246 3.569 1.00 . A A . 10 GLU HG2 1 1 19 6040 1 1 10 GLU HG3 H -7.498 -0.510 2.036 1.00 . A A . 10 GLU HG3 1 1 19 6041 1 1 10 GLU N N -5.199 0.489 1.583 1.00 . A A . 10 GLU N 1 1 19 6042 1 1 10 GLU O O -2.779 -2.066 1.250 1.00 . A A . 10 GLU O 1 1 19 6043 1 1 10 GLU OE1 O -7.656 -2.422 4.630 1.00 . A A . 10 GLU OE1 1 1 19 6044 1 1 10 GLU OE2 O -9.045 -2.175 3.001 1.00 . A A . 10 GLU OE2 1 1 19 6045 1 1 11 CYS C C -1.880 -0.998 -1.287 1.00 . A A . 11 CYS C 1 1 19 6046 1 1 11 CYS CA C -3.229 -1.701 -1.367 1.00 . A A . 11 CYS CA 1 1 19 6047 1 1 11 CYS CB C -3.888 -1.412 -2.718 1.00 . A A . 11 CYS CB 1 1 19 6048 1 1 11 CYS H H -4.860 -0.618 -0.480 1.00 . A A . 11 CYS H 1 1 19 6049 1 1 11 CYS HA H -3.097 -2.763 -1.242 1.00 . A A . 11 CYS HA 1 1 19 6050 1 1 11 CYS HB2 H -4.934 -1.677 -2.673 1.00 . A A . 11 CYS HB2 1 1 19 6051 1 1 11 CYS HB3 H -3.793 -0.361 -2.947 1.00 . A A . 11 CYS HB3 1 1 19 6052 1 1 11 CYS N N -4.079 -1.168 -0.273 1.00 . A A . 11 CYS N 1 1 19 6053 1 1 11 CYS O O -0.890 -1.442 -1.835 1.00 . A A . 11 CYS O 1 1 19 6054 1 1 11 CYS SG S -3.075 -2.386 -4.008 1.00 . A A . 11 CYS SG 1 1 19 6055 1 1 12 VAL C C 0.272 0.244 0.652 1.00 . A A . 12 VAL C 1 1 19 6056 1 1 12 VAL CA C -0.594 0.876 -0.447 1.00 . A A . 12 VAL CA 1 1 19 6057 1 1 12 VAL CB C -0.969 2.316 -0.080 1.00 . A A . 12 VAL CB 1 1 19 6058 1 1 12 VAL CG1 C 0.196 3.007 0.615 1.00 . A A . 12 VAL CG1 1 1 19 6059 1 1 12 VAL CG2 C -1.323 3.073 -1.354 1.00 . A A . 12 VAL CG2 1 1 19 6060 1 1 12 VAL H H -2.666 0.435 -0.173 1.00 . A A . 12 VAL H 1 1 19 6061 1 1 12 VAL HA H -0.053 0.872 -1.380 1.00 . A A . 12 VAL HA 1 1 19 6062 1 1 12 VAL HB H -1.822 2.313 0.580 1.00 . A A . 12 VAL HB 1 1 19 6063 1 1 12 VAL HG11 H 0.487 2.430 1.479 1.00 . A A . 12 VAL HG11 1 1 19 6064 1 1 12 VAL HG12 H -0.111 3.994 0.924 1.00 . A A . 12 VAL HG12 1 1 19 6065 1 1 12 VAL HG13 H 1.025 3.081 -0.069 1.00 . A A . 12 VAL HG13 1 1 19 6066 1 1 12 VAL HG21 H -1.423 4.124 -1.131 1.00 . A A . 12 VAL HG21 1 1 19 6067 1 1 12 VAL HG22 H -2.255 2.696 -1.745 1.00 . A A . 12 VAL HG22 1 1 19 6068 1 1 12 VAL HG23 H -0.542 2.930 -2.084 1.00 . A A . 12 VAL HG23 1 1 19 6069 1 1 12 VAL N N -1.849 0.105 -0.597 1.00 . A A . 12 VAL N 1 1 19 6070 1 1 12 VAL O O 1.478 0.198 0.546 1.00 . A A . 12 VAL O 1 1 19 6071 1 1 13 TYR C C 1.262 -2.045 2.247 1.00 . A A . 13 TYR C 1 1 19 6072 1 1 13 TYR CA C 0.461 -0.867 2.798 1.00 . A A . 13 TYR CA 1 1 19 6073 1 1 13 TYR CB C -0.495 -1.371 3.880 1.00 . A A . 13 TYR CB 1 1 19 6074 1 1 13 TYR CD1 C -0.657 1.033 4.611 1.00 . A A . 13 TYR CD1 1 1 19 6075 1 1 13 TYR CD2 C -2.625 -0.373 4.778 1.00 . A A . 13 TYR CD2 1 1 19 6076 1 1 13 TYR CE1 C -1.385 2.112 5.127 1.00 . A A . 13 TYR CE1 1 1 19 6077 1 1 13 TYR CE2 C -3.352 0.706 5.294 1.00 . A A . 13 TYR CE2 1 1 19 6078 1 1 13 TYR CG C -1.277 -0.210 4.436 1.00 . A A . 13 TYR CG 1 1 19 6079 1 1 13 TYR CZ C -2.732 1.948 5.468 1.00 . A A . 13 TYR CZ 1 1 19 6080 1 1 13 TYR H H -1.303 -0.203 1.769 1.00 . A A . 13 TYR H 1 1 19 6081 1 1 13 TYR HA H 1.134 -0.138 3.221 1.00 . A A . 13 TYR HA 1 1 19 6082 1 1 13 TYR HB2 H -1.177 -2.092 3.451 1.00 . A A . 13 TYR HB2 1 1 19 6083 1 1 13 TYR HB3 H 0.069 -1.837 4.673 1.00 . A A . 13 TYR HB3 1 1 19 6084 1 1 13 TYR HD1 H 0.383 1.159 4.347 1.00 . A A . 13 TYR HD1 1 1 19 6085 1 1 13 TYR HD2 H -3.103 -1.333 4.644 1.00 . A A . 13 TYR HD2 1 1 19 6086 1 1 13 TYR HE1 H -0.906 3.071 5.261 1.00 . A A . 13 TYR HE1 1 1 19 6087 1 1 13 TYR HE2 H -4.392 0.579 5.558 1.00 . A A . 13 TYR HE2 1 1 19 6088 1 1 13 TYR HH H -4.383 2.817 5.874 1.00 . A A . 13 TYR HH 1 1 19 6089 1 1 13 TYR N N -0.330 -0.244 1.701 1.00 . A A . 13 TYR N 1 1 19 6090 1 1 13 TYR O O 2.213 -2.501 2.852 1.00 . A A . 13 TYR O 1 1 19 6091 1 1 13 TYR OH O -3.449 3.012 5.977 1.00 . A A . 13 TYR OH 1 1 19 6092 1 1 14 PHE C C 2.971 -3.305 0.004 1.00 . A A . 14 PHE C 1 1 19 6093 1 1 14 PHE CA C 1.594 -3.720 0.535 1.00 . A A . 14 PHE CA 1 1 19 6094 1 1 14 PHE CB C 0.760 -4.308 -0.601 1.00 . A A . 14 PHE CB 1 1 19 6095 1 1 14 PHE CD1 C -0.951 -4.525 1.250 1.00 . A A . 14 PHE CD1 1 1 19 6096 1 1 14 PHE CD2 C -1.675 -4.784 -1.051 1.00 . A A . 14 PHE CD2 1 1 19 6097 1 1 14 PHE CE1 C -2.260 -4.748 1.688 1.00 . A A . 14 PHE CE1 1 1 19 6098 1 1 14 PHE CE2 C -2.986 -5.007 -0.610 1.00 . A A . 14 PHE CE2 1 1 19 6099 1 1 14 PHE CG C -0.655 -4.543 -0.122 1.00 . A A . 14 PHE CG 1 1 19 6100 1 1 14 PHE CZ C -3.278 -4.989 0.760 1.00 . A A . 14 PHE CZ 1 1 19 6101 1 1 14 PHE H H 0.090 -2.184 0.655 1.00 . A A . 14 PHE H 1 1 19 6102 1 1 14 PHE HA H 1.721 -4.468 1.304 1.00 . A A . 14 PHE HA 1 1 19 6103 1 1 14 PHE HB2 H 0.749 -3.618 -1.433 1.00 . A A . 14 PHE HB2 1 1 19 6104 1 1 14 PHE HB3 H 1.191 -5.246 -0.917 1.00 . A A . 14 PHE HB3 1 1 19 6105 1 1 14 PHE HD1 H -0.165 -4.339 1.968 1.00 . A A . 14 PHE HD1 1 1 19 6106 1 1 14 PHE HD2 H -1.451 -4.797 -2.107 1.00 . A A . 14 PHE HD2 1 1 19 6107 1 1 14 PHE HE1 H -2.486 -4.733 2.745 1.00 . A A . 14 PHE HE1 1 1 19 6108 1 1 14 PHE HE2 H -3.772 -5.193 -1.326 1.00 . A A . 14 PHE HE2 1 1 19 6109 1 1 14 PHE HZ H -4.289 -5.160 1.098 1.00 . A A . 14 PHE HZ 1 1 19 6110 1 1 14 PHE N N 0.872 -2.555 1.116 1.00 . A A . 14 PHE N 1 1 19 6111 1 1 14 PHE O O 3.901 -4.086 0.010 1.00 . A A . 14 PHE O 1 1 19 6112 1 1 15 CYS C C 5.385 -1.252 0.149 1.00 . A A . 15 CYS C 1 1 19 6113 1 1 15 CYS CA C 4.446 -1.664 -0.997 1.00 . A A . 15 CYS CA 1 1 19 6114 1 1 15 CYS CB C 4.250 -0.475 -1.938 1.00 . A A . 15 CYS CB 1 1 19 6115 1 1 15 CYS H H 2.361 -1.471 -0.475 1.00 . A A . 15 CYS H 1 1 19 6116 1 1 15 CYS HA H 4.890 -2.481 -1.548 1.00 . A A . 15 CYS HA 1 1 19 6117 1 1 15 CYS HB2 H 3.206 -0.208 -1.967 1.00 . A A . 15 CYS HB2 1 1 19 6118 1 1 15 CYS HB3 H 4.826 0.366 -1.582 1.00 . A A . 15 CYS HB3 1 1 19 6119 1 1 15 CYS N N 3.119 -2.093 -0.463 1.00 . A A . 15 CYS N 1 1 19 6120 1 1 15 CYS O O 6.280 -0.452 -0.040 1.00 . A A . 15 CYS O 1 1 19 6121 1 1 15 CYS SG S 4.803 -0.923 -3.602 1.00 . A A . 15 CYS SG 1 1 19 6122 1 1 16 HIS C C 5.702 -0.035 3.002 1.00 . A A . 16 HIS C 1 1 19 6123 1 1 16 HIS CA C 6.099 -1.416 2.467 1.00 . A A . 16 HIS CA 1 1 19 6124 1 1 16 HIS CB C 7.549 -1.375 1.980 1.00 . A A . 16 HIS CB 1 1 19 6125 1 1 16 HIS CD2 C 8.506 -3.487 3.217 1.00 . A A . 16 HIS CD2 1 1 19 6126 1 1 16 HIS CE1 C 9.967 -2.486 4.465 1.00 . A A . 16 HIS CE1 1 1 19 6127 1 1 16 HIS CG C 8.420 -2.147 2.932 1.00 . A A . 16 HIS CG 1 1 19 6128 1 1 16 HIS H H 4.482 -2.433 1.477 1.00 . A A . 16 HIS H 1 1 19 6129 1 1 16 HIS HA H 6.008 -2.152 3.253 1.00 . A A . 16 HIS HA 1 1 19 6130 1 1 16 HIS HB2 H 7.611 -1.817 0.996 1.00 . A A . 16 HIS HB2 1 1 19 6131 1 1 16 HIS HB3 H 7.884 -0.350 1.936 1.00 . A A . 16 HIS HB3 1 1 19 6132 1 1 16 HIS HD1 H 9.552 -0.568 3.776 1.00 . A A . 16 HIS HD1 1 1 19 6133 1 1 16 HIS HD2 H 7.906 -4.260 2.759 1.00 . A A . 16 HIS HD2 1 1 19 6134 1 1 16 HIS HE1 H 10.749 -2.298 5.185 1.00 . A A . 16 HIS HE1 1 1 19 6135 1 1 16 HIS N N 5.202 -1.788 1.333 1.00 . A A . 16 HIS N 1 1 19 6136 1 1 16 HIS ND1 N 9.362 -1.528 3.740 1.00 . A A . 16 HIS ND1 1 1 19 6137 1 1 16 HIS NE2 N 9.483 -3.699 4.185 1.00 . A A . 16 HIS NE2 1 1 19 6138 1 1 16 HIS O O 6.545 0.784 3.310 1.00 . A A . 16 HIS O 1 1 19 6139 1 1 17 LEU C C 3.431 1.437 5.018 1.00 . A A . 17 LEU C 1 1 19 6140 1 1 17 LEU CA C 3.979 1.560 3.593 1.00 . A A . 17 LEU CA 1 1 19 6141 1 1 17 LEU CB C 2.875 2.060 2.674 1.00 . A A . 17 LEU CB 1 1 19 6142 1 1 17 LEU CD1 C 4.692 3.282 1.475 1.00 . A A . 17 LEU CD1 1 1 19 6143 1 1 17 LEU CD2 C 3.856 1.110 0.577 1.00 . A A . 17 LEU CD2 1 1 19 6144 1 1 17 LEU CG C 3.458 2.399 1.301 1.00 . A A . 17 LEU CG 1 1 19 6145 1 1 17 LEU H H 3.760 -0.423 2.835 1.00 . A A . 17 LEU H 1 1 19 6146 1 1 17 LEU HA H 4.806 2.254 3.577 1.00 . A A . 17 LEU HA 1 1 19 6147 1 1 17 LEU HB2 H 2.121 1.298 2.572 1.00 . A A . 17 LEU HB2 1 1 19 6148 1 1 17 LEU HB3 H 2.437 2.932 3.101 1.00 . A A . 17 LEU HB3 1 1 19 6149 1 1 17 LEU HD11 H 5.558 2.658 1.642 1.00 . A A . 17 LEU HD11 1 1 19 6150 1 1 17 LEU HD12 H 4.550 3.936 2.322 1.00 . A A . 17 LEU HD12 1 1 19 6151 1 1 17 LEU HD13 H 4.840 3.872 0.583 1.00 . A A . 17 LEU HD13 1 1 19 6152 1 1 17 LEU HD21 H 3.483 0.258 1.125 1.00 . A A . 17 LEU HD21 1 1 19 6153 1 1 17 LEU HD22 H 4.932 1.052 0.513 1.00 . A A . 17 LEU HD22 1 1 19 6154 1 1 17 LEU HD23 H 3.434 1.110 -0.417 1.00 . A A . 17 LEU HD23 1 1 19 6155 1 1 17 LEU HG H 2.718 2.928 0.717 1.00 . A A . 17 LEU HG 1 1 19 6156 1 1 17 LEU N N 4.427 0.236 3.100 1.00 . A A . 17 LEU N 1 1 19 6157 1 1 17 LEU O O 2.275 1.710 5.270 1.00 . A A . 17 LEU O 1 1 19 6158 1 1 18 ASP C C 2.373 0.360 7.416 1.00 . A A . 18 ASP C 1 1 19 6159 1 1 18 ASP CA C 3.805 0.905 7.364 1.00 . A A . 18 ASP CA 1 1 19 6160 1 1 18 ASP CB C 3.851 2.277 8.040 1.00 . A A . 18 ASP CB 1 1 19 6161 1 1 18 ASP CG C 3.138 2.206 9.392 1.00 . A A . 18 ASP CG 1 1 19 6162 1 1 18 ASP H H 5.184 0.839 5.713 1.00 . A A . 18 ASP H 1 1 19 6163 1 1 18 ASP HA H 4.465 0.229 7.887 1.00 . A A . 18 ASP HA 1 1 19 6164 1 1 18 ASP HB2 H 4.880 2.570 8.190 1.00 . A A . 18 ASP HB2 1 1 19 6165 1 1 18 ASP HB3 H 3.357 3.004 7.413 1.00 . A A . 18 ASP HB3 1 1 19 6166 1 1 18 ASP N N 4.258 1.040 5.946 1.00 . A A . 18 ASP N 1 1 19 6167 1 1 18 ASP O O 1.439 1.081 7.707 1.00 . A A . 18 ASP O 1 1 19 6168 1 1 18 ASP OD1 O 2.929 1.104 9.872 1.00 . A A . 18 ASP OD1 1 1 19 6169 1 1 18 ASP OD2 O 2.813 3.254 9.924 1.00 . A A . 18 ASP OD2 1 1 19 6170 1 1 19 ILE C C 0.301 -1.452 8.630 1.00 . A A . 19 ILE C 1 1 19 6171 1 1 19 ILE CA C 0.815 -1.478 7.187 1.00 . A A . 19 ILE CA 1 1 19 6172 1 1 19 ILE CB C 0.848 -2.923 6.662 1.00 . A A . 19 ILE CB 1 1 19 6173 1 1 19 ILE CD1 C 1.116 -5.334 7.287 1.00 . A A . 19 ILE CD1 1 1 19 6174 1 1 19 ILE CG1 C 1.230 -3.895 7.789 1.00 . A A . 19 ILE CG1 1 1 19 6175 1 1 19 ILE CG2 C 1.878 -3.034 5.539 1.00 . A A . 19 ILE CG2 1 1 19 6176 1 1 19 ILE H H 2.948 -1.476 6.913 1.00 . A A . 19 ILE H 1 1 19 6177 1 1 19 ILE HA H 0.160 -0.885 6.564 1.00 . A A . 19 ILE HA 1 1 19 6178 1 1 19 ILE HB H -0.124 -3.184 6.277 1.00 . A A . 19 ILE HB 1 1 19 6179 1 1 19 ILE HD11 H 1.874 -5.515 6.541 1.00 . A A . 19 ILE HD11 1 1 19 6180 1 1 19 ILE HD12 H 0.138 -5.486 6.854 1.00 . A A . 19 ILE HD12 1 1 19 6181 1 1 19 ILE HD13 H 1.254 -6.014 8.115 1.00 . A A . 19 ILE HD13 1 1 19 6182 1 1 19 ILE HG12 H 2.244 -3.701 8.104 1.00 . A A . 19 ILE HG12 1 1 19 6183 1 1 19 ILE HG13 H 0.561 -3.758 8.624 1.00 . A A . 19 ILE HG13 1 1 19 6184 1 1 19 ILE HG21 H 2.841 -3.286 5.957 1.00 . A A . 19 ILE HG21 1 1 19 6185 1 1 19 ILE HG22 H 1.947 -2.089 5.020 1.00 . A A . 19 ILE HG22 1 1 19 6186 1 1 19 ILE HG23 H 1.574 -3.804 4.845 1.00 . A A . 19 ILE HG23 1 1 19 6187 1 1 19 ILE N N 2.188 -0.904 7.143 1.00 . A A . 19 ILE N 1 1 19 6188 1 1 19 ILE O O 0.955 -1.930 9.536 1.00 . A A . 19 ILE O 1 1 19 6189 1 1 20 ILE C C -2.682 -1.676 10.336 1.00 . A A . 20 ILE C 1 1 19 6190 1 1 20 ILE CA C -1.389 -0.867 10.252 1.00 . A A . 20 ILE CA 1 1 19 6191 1 1 20 ILE CB C -1.657 0.578 10.666 1.00 . A A . 20 ILE CB 1 1 19 6192 1 1 20 ILE CD1 C 0.565 0.455 11.808 1.00 . A A . 20 ILE CD1 1 1 19 6193 1 1 20 ILE CG1 C -0.326 1.296 10.892 1.00 . A A . 20 ILE CG1 1 1 19 6194 1 1 20 ILE CG2 C -2.471 0.599 11.961 1.00 . A A . 20 ILE CG2 1 1 19 6195 1 1 20 ILE H H -1.380 -0.516 8.119 1.00 . A A . 20 ILE H 1 1 19 6196 1 1 20 ILE HA H -0.661 -1.305 10.920 1.00 . A A . 20 ILE HA 1 1 19 6197 1 1 20 ILE HB H -2.211 1.079 9.885 1.00 . A A . 20 ILE HB 1 1 19 6198 1 1 20 ILE HD11 H 1.074 -0.298 11.224 1.00 . A A . 20 ILE HD11 1 1 19 6199 1 1 20 ILE HD12 H -0.042 -0.024 12.561 1.00 . A A . 20 ILE HD12 1 1 19 6200 1 1 20 ILE HD13 H 1.295 1.093 12.286 1.00 . A A . 20 ILE HD13 1 1 19 6201 1 1 20 ILE HG12 H 0.170 1.444 9.943 1.00 . A A . 20 ILE HG12 1 1 19 6202 1 1 20 ILE HG13 H -0.511 2.251 11.355 1.00 . A A . 20 ILE HG13 1 1 19 6203 1 1 20 ILE HG21 H -2.400 -0.363 12.447 1.00 . A A . 20 ILE HG21 1 1 19 6204 1 1 20 ILE HG22 H -3.505 0.811 11.734 1.00 . A A . 20 ILE HG22 1 1 19 6205 1 1 20 ILE HG23 H -2.083 1.363 12.618 1.00 . A A . 20 ILE HG23 1 1 19 6206 1 1 20 ILE N N -0.860 -0.903 8.859 1.00 . A A . 20 ILE N 1 1 19 6207 1 1 20 ILE O O -3.770 -1.137 10.299 1.00 . A A . 20 ILE O 1 1 19 6208 1 1 21 TRP C C -4.620 -3.410 11.759 1.00 . A A . 21 TRP C 1 1 19 6209 1 1 21 TRP CA C -3.785 -3.826 10.544 1.00 . A A . 21 TRP CA 1 1 19 6210 1 1 21 TRP CB C -3.414 -5.314 10.676 1.00 . A A . 21 TRP CB 1 1 19 6211 1 1 21 TRP CD1 C -1.261 -6.575 11.066 1.00 . A A . 21 TRP CD1 1 1 19 6212 1 1 21 TRP CD2 C -1.337 -4.668 12.260 1.00 . A A . 21 TRP CD2 1 1 19 6213 1 1 21 TRP CE2 C -0.096 -5.285 12.550 1.00 . A A . 21 TRP CE2 1 1 19 6214 1 1 21 TRP CE3 C -1.627 -3.445 12.889 1.00 . A A . 21 TRP CE3 1 1 19 6215 1 1 21 TRP CG C -2.059 -5.508 11.303 1.00 . A A . 21 TRP CG 1 1 19 6216 1 1 21 TRP CH2 C 0.510 -3.495 14.050 1.00 . A A . 21 TRP CH2 1 1 19 6217 1 1 21 TRP CZ2 C 0.818 -4.710 13.434 1.00 . A A . 21 TRP CZ2 1 1 19 6218 1 1 21 TRP CZ3 C -0.709 -2.864 13.778 1.00 . A A . 21 TRP CZ3 1 1 19 6219 1 1 21 TRP H H -1.675 -3.371 10.473 1.00 . A A . 21 TRP H 1 1 19 6220 1 1 21 TRP HA H -4.377 -3.689 9.650 1.00 . A A . 21 TRP HA 1 1 19 6221 1 1 21 TRP HB2 H -4.154 -5.808 11.287 1.00 . A A . 21 TRP HB2 1 1 19 6222 1 1 21 TRP HB3 H -3.417 -5.764 9.694 1.00 . A A . 21 TRP HB3 1 1 19 6223 1 1 21 TRP HD1 H -1.494 -7.397 10.406 1.00 . A A . 21 TRP HD1 1 1 19 6224 1 1 21 TRP HE1 H 0.646 -7.080 11.802 1.00 . A A . 21 TRP HE1 1 1 19 6225 1 1 21 TRP HE3 H -2.560 -2.947 12.685 1.00 . A A . 21 TRP HE3 1 1 19 6226 1 1 21 TRP HH2 H 1.212 -3.042 14.735 1.00 . A A . 21 TRP HH2 1 1 19 6227 1 1 21 TRP HZ2 H 1.757 -5.201 13.639 1.00 . A A . 21 TRP HZ2 1 1 19 6228 1 1 21 TRP HZ3 H -0.946 -1.924 14.256 1.00 . A A . 21 TRP HZ3 1 1 19 6229 1 1 21 TRP N N -2.565 -2.969 10.450 1.00 . A A . 21 TRP N 1 1 19 6230 1 1 21 TRP NE1 N -0.098 -6.442 11.801 1.00 . A A . 21 TRP NE1 1 1 19 6231 1 1 21 TRP O O -4.483 -2.278 12.190 1.00 . A A . 21 TRP O 1 1 19 6232 1 1 21 TRP OXT O -5.383 -4.234 12.237 1.00 . A A . 21 TRP OXT 1 1 20 6233 1 1 1 CYS C C 5.033 -1.690 -6.341 1.00 . A A . 1 CYS C 1 1 20 6234 1 1 1 CYS CA C 5.792 -0.386 -6.087 1.00 . A A . 1 CYS CA 1 1 20 6235 1 1 1 CYS CB C 4.810 0.787 -6.104 1.00 . A A . 1 CYS CB 1 1 20 6236 1 1 1 CYS H1 H 7.110 0.806 -7.173 1.00 . A A . 1 CYS H1 1 1 20 6237 1 1 1 CYS H2 H 6.409 -0.452 -8.075 1.00 . A A . 1 CYS H2 1 1 20 6238 1 1 1 CYS H3 H 7.641 -0.791 -6.955 1.00 . A A . 1 CYS H3 1 1 20 6239 1 1 1 CYS HA H 6.278 -0.434 -5.125 1.00 . A A . 1 CYS HA 1 1 20 6240 1 1 1 CYS HB2 H 5.349 1.707 -6.270 1.00 . A A . 1 CYS HB2 1 1 20 6241 1 1 1 CYS HB3 H 4.091 0.643 -6.897 1.00 . A A . 1 CYS HB3 1 1 20 6242 1 1 1 CYS N N 6.816 -0.191 -7.153 1.00 . A A . 1 CYS N 1 1 20 6243 1 1 1 CYS O O 4.752 -2.046 -7.467 1.00 . A A . 1 CYS O 1 1 20 6244 1 1 1 CYS SG S 3.947 0.872 -4.516 1.00 . A A . 1 CYS SG 1 1 20 6245 1 1 2 SER C C 2.478 -3.479 -5.207 1.00 . A A . 2 SER C 1 1 20 6246 1 1 2 SER CA C 3.969 -3.688 -5.486 1.00 . A A . 2 SER CA 1 1 20 6247 1 1 2 SER CB C 4.524 -4.735 -4.521 1.00 . A A . 2 SER CB 1 1 20 6248 1 1 2 SER H H 4.942 -2.107 -4.403 1.00 . A A . 2 SER H 1 1 20 6249 1 1 2 SER HA H 4.100 -4.029 -6.499 1.00 . A A . 2 SER HA 1 1 20 6250 1 1 2 SER HB2 H 5.552 -4.506 -4.291 1.00 . A A . 2 SER HB2 1 1 20 6251 1 1 2 SER HB3 H 3.943 -4.726 -3.609 1.00 . A A . 2 SER HB3 1 1 20 6252 1 1 2 SER HG H 3.744 -6.003 -5.774 1.00 . A A . 2 SER HG 1 1 20 6253 1 1 2 SER N N 4.704 -2.408 -5.302 1.00 . A A . 2 SER N 1 1 20 6254 1 1 2 SER O O 1.913 -4.090 -4.322 1.00 . A A . 2 SER O 1 1 20 6255 1 1 2 SER OG O 4.457 -6.018 -5.130 1.00 . A A . 2 SER OG 1 1 20 6256 1 1 3 CYS C C -0.268 -1.917 -7.037 1.00 . A A . 3 CYS C 1 1 20 6257 1 1 3 CYS CA C 0.380 -2.389 -5.731 1.00 . A A . 3 CYS CA 1 1 20 6258 1 1 3 CYS CB C 0.197 -1.318 -4.649 1.00 . A A . 3 CYS CB 1 1 20 6259 1 1 3 CYS H H 2.302 -2.144 -6.667 1.00 . A A . 3 CYS H 1 1 20 6260 1 1 3 CYS HA H -0.081 -3.310 -5.407 1.00 . A A . 3 CYS HA 1 1 20 6261 1 1 3 CYS HB2 H 0.435 -1.741 -3.689 1.00 . A A . 3 CYS HB2 1 1 20 6262 1 1 3 CYS HB3 H 0.857 -0.486 -4.850 1.00 . A A . 3 CYS HB3 1 1 20 6263 1 1 3 CYS N N 1.833 -2.625 -5.956 1.00 . A A . 3 CYS N 1 1 20 6264 1 1 3 CYS O O 0.399 -1.445 -7.936 1.00 . A A . 3 CYS O 1 1 20 6265 1 1 3 CYS SG S -1.517 -0.738 -4.628 1.00 . A A . 3 CYS SG 1 1 20 6266 1 1 4 SER C C -2.071 -0.075 -8.550 1.00 . A A . 4 SER C 1 1 20 6267 1 1 4 SER CA C -2.254 -1.584 -8.386 1.00 . A A . 4 SER CA 1 1 20 6268 1 1 4 SER CB C -3.745 -1.910 -8.289 1.00 . A A . 4 SER CB 1 1 20 6269 1 1 4 SER H H -2.084 -2.413 -6.404 1.00 . A A . 4 SER H 1 1 20 6270 1 1 4 SER HA H -1.829 -2.091 -9.235 1.00 . A A . 4 SER HA 1 1 20 6271 1 1 4 SER HB2 H -3.903 -2.952 -8.513 1.00 . A A . 4 SER HB2 1 1 20 6272 1 1 4 SER HB3 H -4.093 -1.704 -7.285 1.00 . A A . 4 SER HB3 1 1 20 6273 1 1 4 SER HG H -4.168 -1.359 -10.105 1.00 . A A . 4 SER HG 1 1 20 6274 1 1 4 SER N N -1.564 -2.034 -7.143 1.00 . A A . 4 SER N 1 1 20 6275 1 1 4 SER O O -1.568 0.395 -9.551 1.00 . A A . 4 SER O 1 1 20 6276 1 1 4 SER OG O -4.461 -1.115 -9.224 1.00 . A A . 4 SER OG 1 1 20 6277 1 1 5 SER C C -1.690 2.671 -6.347 1.00 . A A . 5 SER C 1 1 20 6278 1 1 5 SER CA C -2.314 2.163 -7.658 1.00 . A A . 5 SER CA 1 1 20 6279 1 1 5 SER CB C -3.689 2.805 -7.878 1.00 . A A . 5 SER CB 1 1 20 6280 1 1 5 SER H H -2.865 0.282 -6.771 1.00 . A A . 5 SER H 1 1 20 6281 1 1 5 SER HA H -1.668 2.399 -8.493 1.00 . A A . 5 SER HA 1 1 20 6282 1 1 5 SER HB2 H -3.691 3.343 -8.811 1.00 . A A . 5 SER HB2 1 1 20 6283 1 1 5 SER HB3 H -4.444 2.031 -7.914 1.00 . A A . 5 SER HB3 1 1 20 6284 1 1 5 SER HG H -4.440 3.229 -6.133 1.00 . A A . 5 SER HG 1 1 20 6285 1 1 5 SER N N -2.470 0.685 -7.570 1.00 . A A . 5 SER N 1 1 20 6286 1 1 5 SER O O -2.238 2.488 -5.279 1.00 . A A . 5 SER O 1 1 20 6287 1 1 5 SER OG O -3.969 3.711 -6.816 1.00 . A A . 5 SER OG 1 1 20 6288 1 1 6 LEU C C -0.766 4.730 -4.373 1.00 . A A . 6 LEU C 1 1 20 6289 1 1 6 LEU CA C 0.140 3.769 -5.167 1.00 . A A . 6 LEU CA 1 1 20 6290 1 1 6 LEU CB C 1.443 4.489 -5.533 1.00 . A A . 6 LEU CB 1 1 20 6291 1 1 6 LEU CD1 C 2.499 2.490 -6.604 1.00 . A A . 6 LEU CD1 1 1 20 6292 1 1 6 LEU CD2 C 3.931 4.251 -5.560 1.00 . A A . 6 LEU CD2 1 1 20 6293 1 1 6 LEU CG C 2.604 3.495 -5.455 1.00 . A A . 6 LEU CG 1 1 20 6294 1 1 6 LEU H H -0.094 3.399 -7.283 1.00 . A A . 6 LEU H 1 1 20 6295 1 1 6 LEU HA H 0.381 2.917 -4.546 1.00 . A A . 6 LEU HA 1 1 20 6296 1 1 6 LEU HB2 H 1.378 4.891 -6.533 1.00 . A A . 6 LEU HB2 1 1 20 6297 1 1 6 LEU HB3 H 1.617 5.292 -4.833 1.00 . A A . 6 LEU HB3 1 1 20 6298 1 1 6 LEU HD11 H 1.753 2.824 -7.308 1.00 . A A . 6 LEU HD11 1 1 20 6299 1 1 6 LEU HD12 H 2.217 1.523 -6.212 1.00 . A A . 6 LEU HD12 1 1 20 6300 1 1 6 LEU HD13 H 3.454 2.411 -7.101 1.00 . A A . 6 LEU HD13 1 1 20 6301 1 1 6 LEU HD21 H 3.735 5.296 -5.754 1.00 . A A . 6 LEU HD21 1 1 20 6302 1 1 6 LEU HD22 H 4.517 3.840 -6.367 1.00 . A A . 6 LEU HD22 1 1 20 6303 1 1 6 LEU HD23 H 4.475 4.153 -4.633 1.00 . A A . 6 LEU HD23 1 1 20 6304 1 1 6 LEU HG H 2.561 2.967 -4.514 1.00 . A A . 6 LEU HG 1 1 20 6305 1 1 6 LEU N N -0.533 3.281 -6.414 1.00 . A A . 6 LEU N 1 1 20 6306 1 1 6 LEU O O -0.501 5.018 -3.224 1.00 . A A . 6 LEU O 1 1 20 6307 1 1 7 MET C C -3.780 5.430 -3.442 1.00 . A A . 7 MET C 1 1 20 6308 1 1 7 MET CA C -2.695 6.192 -4.217 1.00 . A A . 7 MET CA 1 1 20 6309 1 1 7 MET CB C -3.355 7.155 -5.212 1.00 . A A . 7 MET CB 1 1 20 6310 1 1 7 MET CE C -4.894 10.803 -4.521 1.00 . A A . 7 MET CE 1 1 20 6311 1 1 7 MET CG C -4.208 8.177 -4.456 1.00 . A A . 7 MET CG 1 1 20 6312 1 1 7 MET H H -2.019 5.024 -5.889 1.00 . A A . 7 MET H 1 1 20 6313 1 1 7 MET HA H -2.092 6.757 -3.521 1.00 . A A . 7 MET HA 1 1 20 6314 1 1 7 MET HB2 H -2.590 7.671 -5.772 1.00 . A A . 7 MET HB2 1 1 20 6315 1 1 7 MET HB3 H -3.984 6.598 -5.890 1.00 . A A . 7 MET HB3 1 1 20 6316 1 1 7 MET HE1 H -4.479 10.517 -3.565 1.00 . A A . 7 MET HE1 1 1 20 6317 1 1 7 MET HE2 H -5.905 11.153 -4.381 1.00 . A A . 7 MET HE2 1 1 20 6318 1 1 7 MET HE3 H -4.300 11.593 -4.957 1.00 . A A . 7 MET HE3 1 1 20 6319 1 1 7 MET HG2 H -5.013 7.670 -3.944 1.00 . A A . 7 MET HG2 1 1 20 6320 1 1 7 MET HG3 H -3.593 8.695 -3.735 1.00 . A A . 7 MET HG3 1 1 20 6321 1 1 7 MET N N -1.815 5.244 -4.962 1.00 . A A . 7 MET N 1 1 20 6322 1 1 7 MET O O -4.548 6.018 -2.706 1.00 . A A . 7 MET O 1 1 20 6323 1 1 7 MET SD S -4.896 9.372 -5.627 1.00 . A A . 7 MET SD 1 1 20 6324 1 1 8 ASP C C -4.714 3.569 -1.347 1.00 . A A . 8 ASP C 1 1 20 6325 1 1 8 ASP CA C -4.899 3.363 -2.852 1.00 . A A . 8 ASP CA 1 1 20 6326 1 1 8 ASP CB C -4.775 1.868 -3.172 1.00 . A A . 8 ASP CB 1 1 20 6327 1 1 8 ASP CG C -6.159 1.219 -3.116 1.00 . A A . 8 ASP CG 1 1 20 6328 1 1 8 ASP H H -3.234 3.672 -4.187 1.00 . A A . 8 ASP H 1 1 20 6329 1 1 8 ASP HA H -5.878 3.712 -3.143 1.00 . A A . 8 ASP HA 1 1 20 6330 1 1 8 ASP HB2 H -4.360 1.740 -4.160 1.00 . A A . 8 ASP HB2 1 1 20 6331 1 1 8 ASP HB3 H -4.130 1.397 -2.447 1.00 . A A . 8 ASP HB3 1 1 20 6332 1 1 8 ASP N N -3.856 4.135 -3.593 1.00 . A A . 8 ASP N 1 1 20 6333 1 1 8 ASP O O -4.192 4.573 -0.906 1.00 . A A . 8 ASP O 1 1 20 6334 1 1 8 ASP OD1 O -7.014 1.625 -3.886 1.00 . A A . 8 ASP OD1 1 1 20 6335 1 1 8 ASP OD2 O -6.340 0.328 -2.304 1.00 . A A . 8 ASP OD2 1 1 20 6336 1 1 9 LYS C C -4.314 1.488 1.486 1.00 . A A . 9 LYS C 1 1 20 6337 1 1 9 LYS CA C -4.988 2.753 0.923 1.00 . A A . 9 LYS CA 1 1 20 6338 1 1 9 LYS CB C -6.367 2.961 1.568 1.00 . A A . 9 LYS CB 1 1 20 6339 1 1 9 LYS CD C -6.512 5.406 0.948 1.00 . A A . 9 LYS CD 1 1 20 6340 1 1 9 LYS CE C -6.064 5.607 2.398 1.00 . A A . 9 LYS CE 1 1 20 6341 1 1 9 LYS CG C -7.161 4.024 0.786 1.00 . A A . 9 LYS CG 1 1 20 6342 1 1 9 LYS H H -5.552 1.820 -0.943 1.00 . A A . 9 LYS H 1 1 20 6343 1 1 9 LYS HA H -4.361 3.605 1.139 1.00 . A A . 9 LYS HA 1 1 20 6344 1 1 9 LYS HB2 H -6.912 2.028 1.558 1.00 . A A . 9 LYS HB2 1 1 20 6345 1 1 9 LYS HB3 H -6.240 3.291 2.589 1.00 . A A . 9 LYS HB3 1 1 20 6346 1 1 9 LYS HD2 H -5.658 5.483 0.293 1.00 . A A . 9 LYS HD2 1 1 20 6347 1 1 9 LYS HD3 H -7.232 6.172 0.689 1.00 . A A . 9 LYS HD3 1 1 20 6348 1 1 9 LYS HE2 H -6.782 5.150 3.063 1.00 . A A . 9 LYS HE2 1 1 20 6349 1 1 9 LYS HE3 H -5.097 5.150 2.543 1.00 . A A . 9 LYS HE3 1 1 20 6350 1 1 9 LYS HG2 H -7.176 3.759 -0.261 1.00 . A A . 9 LYS HG2 1 1 20 6351 1 1 9 LYS HG3 H -8.177 4.066 1.158 1.00 . A A . 9 LYS HG3 1 1 20 6352 1 1 9 LYS HZ1 H -5.192 7.236 3.357 1.00 . A A . 9 LYS HZ1 1 1 20 6353 1 1 9 LYS HZ2 H -6.867 7.389 3.116 1.00 . A A . 9 LYS HZ2 1 1 20 6354 1 1 9 LYS HZ3 H -5.796 7.586 1.812 1.00 . A A . 9 LYS HZ3 1 1 20 6355 1 1 9 LYS N N -5.138 2.621 -0.558 1.00 . A A . 9 LYS N 1 1 20 6356 1 1 9 LYS NZ N -5.973 7.066 2.693 1.00 . A A . 9 LYS NZ 1 1 20 6357 1 1 9 LYS O O -3.140 1.497 1.797 1.00 . A A . 9 LYS O 1 1 20 6358 1 1 10 GLU C C -3.454 -1.410 1.085 1.00 . A A . 10 GLU C 1 1 20 6359 1 1 10 GLU CA C -4.404 -0.841 2.145 1.00 . A A . 10 GLU CA 1 1 20 6360 1 1 10 GLU CB C -5.507 -1.857 2.474 1.00 . A A . 10 GLU CB 1 1 20 6361 1 1 10 GLU CD C -5.465 -4.062 3.652 1.00 . A A . 10 GLU CD 1 1 20 6362 1 1 10 GLU CG C -4.941 -3.279 2.447 1.00 . A A . 10 GLU CG 1 1 20 6363 1 1 10 GLU H H -5.969 0.392 1.361 1.00 . A A . 10 GLU H 1 1 20 6364 1 1 10 GLU HA H -3.846 -0.607 3.039 1.00 . A A . 10 GLU HA 1 1 20 6365 1 1 10 GLU HB2 H -5.903 -1.648 3.457 1.00 . A A . 10 GLU HB2 1 1 20 6366 1 1 10 GLU HB3 H -6.298 -1.775 1.744 1.00 . A A . 10 GLU HB3 1 1 20 6367 1 1 10 GLU HG2 H -5.250 -3.768 1.534 1.00 . A A . 10 GLU HG2 1 1 20 6368 1 1 10 GLU HG3 H -3.863 -3.237 2.487 1.00 . A A . 10 GLU HG3 1 1 20 6369 1 1 10 GLU N N -5.029 0.399 1.615 1.00 . A A . 10 GLU N 1 1 20 6370 1 1 10 GLU O O -2.447 -2.014 1.399 1.00 . A A . 10 GLU O 1 1 20 6371 1 1 10 GLU OE1 O -4.981 -3.821 4.746 1.00 . A A . 10 GLU OE1 1 1 20 6372 1 1 10 GLU OE2 O -6.341 -4.890 3.461 1.00 . A A . 10 GLU OE2 1 1 20 6373 1 1 11 CYS C C -1.600 -0.852 -1.249 1.00 . A A . 11 CYS C 1 1 20 6374 1 1 11 CYS CA C -2.864 -1.707 -1.243 1.00 . A A . 11 CYS CA 1 1 20 6375 1 1 11 CYS CB C -3.579 -1.586 -2.591 1.00 . A A . 11 CYS CB 1 1 20 6376 1 1 11 CYS H H -4.561 -0.693 -0.396 1.00 . A A . 11 CYS H 1 1 20 6377 1 1 11 CYS HA H -2.606 -2.738 -1.056 1.00 . A A . 11 CYS HA 1 1 20 6378 1 1 11 CYS HB2 H -4.522 -2.110 -2.546 1.00 . A A . 11 CYS HB2 1 1 20 6379 1 1 11 CYS HB3 H -3.758 -0.544 -2.811 1.00 . A A . 11 CYS HB3 1 1 20 6380 1 1 11 CYS N N -3.757 -1.201 -0.166 1.00 . A A . 11 CYS N 1 1 20 6381 1 1 11 CYS O O -0.590 -1.203 -1.826 1.00 . A A . 11 CYS O 1 1 20 6382 1 1 11 CYS SG S -2.551 -2.308 -3.892 1.00 . A A . 11 CYS SG 1 1 20 6383 1 1 12 VAL C C 0.496 0.696 0.522 1.00 . A A . 12 VAL C 1 1 20 6384 1 1 12 VAL CA C -0.498 1.190 -0.537 1.00 . A A . 12 VAL CA 1 1 20 6385 1 1 12 VAL CB C -1.016 2.582 -0.175 1.00 . A A . 12 VAL CB 1 1 20 6386 1 1 12 VAL CG1 C 0.122 3.446 0.342 1.00 . A A . 12 VAL CG1 1 1 20 6387 1 1 12 VAL CG2 C -1.628 3.231 -1.417 1.00 . A A . 12 VAL CG2 1 1 20 6388 1 1 12 VAL H H -2.495 0.530 -0.151 1.00 . A A . 12 VAL H 1 1 20 6389 1 1 12 VAL HA H -0.009 1.226 -1.496 1.00 . A A . 12 VAL HA 1 1 20 6390 1 1 12 VAL HB H -1.768 2.498 0.591 1.00 . A A . 12 VAL HB 1 1 20 6391 1 1 12 VAL HG11 H -0.027 4.463 0.017 1.00 . A A . 12 VAL HG11 1 1 20 6392 1 1 12 VAL HG12 H 1.057 3.072 -0.044 1.00 . A A . 12 VAL HG12 1 1 20 6393 1 1 12 VAL HG13 H 0.133 3.408 1.421 1.00 . A A . 12 VAL HG13 1 1 20 6394 1 1 12 VAL HG21 H -2.522 2.694 -1.696 1.00 . A A . 12 VAL HG21 1 1 20 6395 1 1 12 VAL HG22 H -0.917 3.193 -2.229 1.00 . A A . 12 VAL HG22 1 1 20 6396 1 1 12 VAL HG23 H -1.877 4.258 -1.201 1.00 . A A . 12 VAL HG23 1 1 20 6397 1 1 12 VAL N N -1.664 0.276 -0.601 1.00 . A A . 12 VAL N 1 1 20 6398 1 1 12 VAL O O 1.690 0.870 0.390 1.00 . A A . 12 VAL O 1 1 20 6399 1 1 13 TYR C C 2.052 -1.253 2.014 1.00 . A A . 13 TYR C 1 1 20 6400 1 1 13 TYR CA C 0.938 -0.408 2.635 1.00 . A A . 13 TYR CA 1 1 20 6401 1 1 13 TYR CB C 0.152 -1.269 3.624 1.00 . A A . 13 TYR CB 1 1 20 6402 1 1 13 TYR CD1 C -0.913 0.934 4.243 1.00 . A A . 13 TYR CD1 1 1 20 6403 1 1 13 TYR CD2 C -2.111 -1.120 4.720 1.00 . A A . 13 TYR CD2 1 1 20 6404 1 1 13 TYR CE1 C -1.967 1.676 4.789 1.00 . A A . 13 TYR CE1 1 1 20 6405 1 1 13 TYR CE2 C -3.166 -0.377 5.265 1.00 . A A . 13 TYR CE2 1 1 20 6406 1 1 13 TYR CG C -0.985 -0.465 4.208 1.00 . A A . 13 TYR CG 1 1 20 6407 1 1 13 TYR CZ C -3.094 1.020 5.299 1.00 . A A . 13 TYR CZ 1 1 20 6408 1 1 13 TYR H H -0.948 -0.045 1.666 1.00 . A A . 13 TYR H 1 1 20 6409 1 1 13 TYR HA H 1.371 0.431 3.156 1.00 . A A . 13 TYR HA 1 1 20 6410 1 1 13 TYR HB2 H -0.245 -2.131 3.111 1.00 . A A . 13 TYR HB2 1 1 20 6411 1 1 13 TYR HB3 H 0.807 -1.592 4.417 1.00 . A A . 13 TYR HB3 1 1 20 6412 1 1 13 TYR HD1 H -0.044 1.440 3.850 1.00 . A A . 13 TYR HD1 1 1 20 6413 1 1 13 TYR HD2 H -2.167 -2.198 4.692 1.00 . A A . 13 TYR HD2 1 1 20 6414 1 1 13 TYR HE1 H -1.912 2.755 4.815 1.00 . A A . 13 TYR HE1 1 1 20 6415 1 1 13 TYR HE2 H -4.035 -0.883 5.659 1.00 . A A . 13 TYR HE2 1 1 20 6416 1 1 13 TYR HH H -4.905 1.626 5.279 1.00 . A A . 13 TYR HH 1 1 20 6417 1 1 13 TYR N N 0.017 0.087 1.573 1.00 . A A . 13 TYR N 1 1 20 6418 1 1 13 TYR O O 3.125 -1.383 2.567 1.00 . A A . 13 TYR O 1 1 20 6419 1 1 13 TYR OH O -4.133 1.752 5.837 1.00 . A A . 13 TYR OH 1 1 20 6420 1 1 14 PHE C C 4.063 -1.847 -0.128 1.00 . A A . 14 PHE C 1 1 20 6421 1 1 14 PHE CA C 2.841 -2.691 0.238 1.00 . A A . 14 PHE CA 1 1 20 6422 1 1 14 PHE CB C 2.255 -3.334 -1.018 1.00 . A A . 14 PHE CB 1 1 20 6423 1 1 14 PHE CD1 C 0.649 -4.370 0.629 1.00 . A A . 14 PHE CD1 1 1 20 6424 1 1 14 PHE CD2 C -0.062 -4.085 -1.673 1.00 . A A . 14 PHE CD2 1 1 20 6425 1 1 14 PHE CE1 C -0.591 -4.935 0.944 1.00 . A A . 14 PHE CE1 1 1 20 6426 1 1 14 PHE CE2 C -1.303 -4.652 -1.357 1.00 . A A . 14 PHE CE2 1 1 20 6427 1 1 14 PHE CG C 0.916 -3.944 -0.681 1.00 . A A . 14 PHE CG 1 1 20 6428 1 1 14 PHE CZ C -1.567 -5.075 -0.048 1.00 . A A . 14 PHE CZ 1 1 20 6429 1 1 14 PHE H H 0.924 -1.733 0.455 1.00 . A A . 14 PHE H 1 1 20 6430 1 1 14 PHE HA H 3.135 -3.466 0.929 1.00 . A A . 14 PHE HA 1 1 20 6431 1 1 14 PHE HB2 H 2.128 -2.582 -1.783 1.00 . A A . 14 PHE HB2 1 1 20 6432 1 1 14 PHE HB3 H 2.922 -4.104 -1.375 1.00 . A A . 14 PHE HB3 1 1 20 6433 1 1 14 PHE HD1 H 1.403 -4.261 1.394 1.00 . A A . 14 PHE HD1 1 1 20 6434 1 1 14 PHE HD2 H 0.142 -3.759 -2.682 1.00 . A A . 14 PHE HD2 1 1 20 6435 1 1 14 PHE HE1 H -0.794 -5.262 1.952 1.00 . A A . 14 PHE HE1 1 1 20 6436 1 1 14 PHE HE2 H -2.057 -4.760 -2.123 1.00 . A A . 14 PHE HE2 1 1 20 6437 1 1 14 PHE HZ H -2.525 -5.511 0.195 1.00 . A A . 14 PHE HZ 1 1 20 6438 1 1 14 PHE N N 1.800 -1.841 0.880 1.00 . A A . 14 PHE N 1 1 20 6439 1 1 14 PHE O O 5.180 -2.328 -0.132 1.00 . A A . 14 PHE O 1 1 20 6440 1 1 15 CYS C C 5.731 0.787 0.472 1.00 . A A . 15 CYS C 1 1 20 6441 1 1 15 CYS CA C 5.027 0.275 -0.795 1.00 . A A . 15 CYS CA 1 1 20 6442 1 1 15 CYS CB C 4.529 1.468 -1.611 1.00 . A A . 15 CYS CB 1 1 20 6443 1 1 15 CYS H H 2.963 -0.224 -0.428 1.00 . A A . 15 CYS H 1 1 20 6444 1 1 15 CYS HA H 5.729 -0.294 -1.388 1.00 . A A . 15 CYS HA 1 1 20 6445 1 1 15 CYS HB2 H 3.463 1.381 -1.761 1.00 . A A . 15 CYS HB2 1 1 20 6446 1 1 15 CYS HB3 H 4.743 2.383 -1.081 1.00 . A A . 15 CYS HB3 1 1 20 6447 1 1 15 CYS N N 3.869 -0.594 -0.432 1.00 . A A . 15 CYS N 1 1 20 6448 1 1 15 CYS O O 6.405 1.797 0.444 1.00 . A A . 15 CYS O 1 1 20 6449 1 1 15 CYS SG S 5.363 1.491 -3.217 1.00 . A A . 15 CYS SG 1 1 20 6450 1 1 16 HIS C C 5.477 1.718 3.455 1.00 . A A . 16 HIS C 1 1 20 6451 1 1 16 HIS CA C 6.259 0.556 2.835 1.00 . A A . 16 HIS CA 1 1 20 6452 1 1 16 HIS CB C 7.683 1.016 2.516 1.00 . A A . 16 HIS CB 1 1 20 6453 1 1 16 HIS CD2 C 8.371 0.136 4.894 1.00 . A A . 16 HIS CD2 1 1 20 6454 1 1 16 HIS CE1 C 10.310 1.094 5.036 1.00 . A A . 16 HIS CE1 1 1 20 6455 1 1 16 HIS CG C 8.552 0.841 3.731 1.00 . A A . 16 HIS CG 1 1 20 6456 1 1 16 HIS H H 5.046 -0.711 1.589 1.00 . A A . 16 HIS H 1 1 20 6457 1 1 16 HIS HA H 6.301 -0.266 3.536 1.00 . A A . 16 HIS HA 1 1 20 6458 1 1 16 HIS HB2 H 8.079 0.425 1.702 1.00 . A A . 16 HIS HB2 1 1 20 6459 1 1 16 HIS HB3 H 7.669 2.057 2.230 1.00 . A A . 16 HIS HB3 1 1 20 6460 1 1 16 HIS HD1 H 10.222 2.022 3.176 1.00 . A A . 16 HIS HD1 1 1 20 6461 1 1 16 HIS HD2 H 7.500 -0.454 5.134 1.00 . A A . 16 HIS HD2 1 1 20 6462 1 1 16 HIS HE1 H 11.273 1.417 5.399 1.00 . A A . 16 HIS HE1 1 1 20 6463 1 1 16 HIS N N 5.588 0.102 1.581 1.00 . A A . 16 HIS N 1 1 20 6464 1 1 16 HIS ND1 N 9.795 1.445 3.843 1.00 . A A . 16 HIS ND1 1 1 20 6465 1 1 16 HIS NE2 N 9.482 0.296 5.717 1.00 . A A . 16 HIS NE2 1 1 20 6466 1 1 16 HIS O O 6.052 2.670 3.942 1.00 . A A . 16 HIS O 1 1 20 6467 1 1 17 LEU C C 2.722 2.306 5.322 1.00 . A A . 17 LEU C 1 1 20 6468 1 1 17 LEU CA C 3.365 2.757 4.007 1.00 . A A . 17 LEU CA 1 1 20 6469 1 1 17 LEU CB C 2.276 3.117 3.009 1.00 . A A . 17 LEU CB 1 1 20 6470 1 1 17 LEU CD1 C 3.998 4.719 2.132 1.00 . A A . 17 LEU CD1 1 1 20 6471 1 1 17 LEU CD2 C 3.502 2.613 0.887 1.00 . A A . 17 LEU CD2 1 1 20 6472 1 1 17 LEU CG C 2.899 3.726 1.747 1.00 . A A . 17 LEU CG 1 1 20 6473 1 1 17 LEU H H 3.717 0.895 3.032 1.00 . A A . 17 LEU H 1 1 20 6474 1 1 17 LEU HA H 3.993 3.616 4.186 1.00 . A A . 17 LEU HA 1 1 20 6475 1 1 17 LEU HB2 H 1.725 2.229 2.749 1.00 . A A . 17 LEU HB2 1 1 20 6476 1 1 17 LEU HB3 H 1.614 3.820 3.456 1.00 . A A . 17 LEU HB3 1 1 20 6477 1 1 17 LEU HD11 H 4.085 5.474 1.366 1.00 . A A . 17 LEU HD11 1 1 20 6478 1 1 17 LEU HD12 H 4.937 4.195 2.230 1.00 . A A . 17 LEU HD12 1 1 20 6479 1 1 17 LEU HD13 H 3.746 5.187 3.072 1.00 . A A . 17 LEU HD13 1 1 20 6480 1 1 17 LEU HD21 H 3.011 2.595 -0.075 1.00 . A A . 17 LEU HD21 1 1 20 6481 1 1 17 LEU HD22 H 3.362 1.662 1.379 1.00 . A A . 17 LEU HD22 1 1 20 6482 1 1 17 LEU HD23 H 4.557 2.794 0.749 1.00 . A A . 17 LEU HD23 1 1 20 6483 1 1 17 LEU HG H 2.137 4.242 1.184 1.00 . A A . 17 LEU HG 1 1 20 6484 1 1 17 LEU N N 4.172 1.656 3.434 1.00 . A A . 17 LEU N 1 1 20 6485 1 1 17 LEU O O 1.515 2.241 5.442 1.00 . A A . 17 LEU O 1 1 20 6486 1 1 18 ASP C C 1.771 0.644 7.418 1.00 . A A . 18 ASP C 1 1 20 6487 1 1 18 ASP CA C 2.974 1.572 7.625 1.00 . A A . 18 ASP CA 1 1 20 6488 1 1 18 ASP CB C 2.537 2.804 8.417 1.00 . A A . 18 ASP CB 1 1 20 6489 1 1 18 ASP CG C 1.381 3.497 7.692 1.00 . A A . 18 ASP CG 1 1 20 6490 1 1 18 ASP H H 4.485 2.080 6.187 1.00 . A A . 18 ASP H 1 1 20 6491 1 1 18 ASP HA H 3.742 1.049 8.177 1.00 . A A . 18 ASP HA 1 1 20 6492 1 1 18 ASP HB2 H 2.216 2.501 9.401 1.00 . A A . 18 ASP HB2 1 1 20 6493 1 1 18 ASP HB3 H 3.367 3.489 8.503 1.00 . A A . 18 ASP HB3 1 1 20 6494 1 1 18 ASP N N 3.521 2.008 6.308 1.00 . A A . 18 ASP N 1 1 20 6495 1 1 18 ASP O O 0.635 1.042 7.582 1.00 . A A . 18 ASP O 1 1 20 6496 1 1 18 ASP OD1 O 1.647 4.205 6.735 1.00 . A A . 18 ASP OD1 1 1 20 6497 1 1 18 ASP OD2 O 0.249 3.307 8.106 1.00 . A A . 18 ASP OD2 1 1 20 6498 1 1 19 ILE C C 0.108 -1.707 8.172 1.00 . A A . 19 ILE C 1 1 20 6499 1 1 19 ILE CA C 0.869 -1.531 6.854 1.00 . A A . 19 ILE CA 1 1 20 6500 1 1 19 ILE CB C 1.409 -2.889 6.370 1.00 . A A . 19 ILE CB 1 1 20 6501 1 1 19 ILE CD1 C 2.274 -5.128 7.082 1.00 . A A . 19 ILE CD1 1 1 20 6502 1 1 19 ILE CG1 C 1.858 -3.739 7.566 1.00 . A A . 19 ILE CG1 1 1 20 6503 1 1 19 ILE CG2 C 2.603 -2.664 5.442 1.00 . A A . 19 ILE CG2 1 1 20 6504 1 1 19 ILE H H 2.924 -0.904 6.935 1.00 . A A . 19 ILE H 1 1 20 6505 1 1 19 ILE HA H 0.202 -1.124 6.110 1.00 . A A . 19 ILE HA 1 1 20 6506 1 1 19 ILE HB H 0.635 -3.407 5.830 1.00 . A A . 19 ILE HB 1 1 20 6507 1 1 19 ILE HD11 H 3.324 -5.280 7.287 1.00 . A A . 19 ILE HD11 1 1 20 6508 1 1 19 ILE HD12 H 2.099 -5.206 6.020 1.00 . A A . 19 ILE HD12 1 1 20 6509 1 1 19 ILE HD13 H 1.694 -5.877 7.600 1.00 . A A . 19 ILE HD13 1 1 20 6510 1 1 19 ILE HG12 H 2.694 -3.261 8.054 1.00 . A A . 19 ILE HG12 1 1 20 6511 1 1 19 ILE HG13 H 1.041 -3.838 8.263 1.00 . A A . 19 ILE HG13 1 1 20 6512 1 1 19 ILE HG21 H 3.514 -2.930 5.958 1.00 . A A . 19 ILE HG21 1 1 20 6513 1 1 19 ILE HG22 H 2.643 -1.625 5.152 1.00 . A A . 19 ILE HG22 1 1 20 6514 1 1 19 ILE HG23 H 2.495 -3.280 4.562 1.00 . A A . 19 ILE HG23 1 1 20 6515 1 1 19 ILE N N 2.005 -0.593 7.063 1.00 . A A . 19 ILE N 1 1 20 6516 1 1 19 ILE O O 0.687 -2.019 9.194 1.00 . A A . 19 ILE O 1 1 20 6517 1 1 20 ILE C C -2.940 -2.840 9.280 1.00 . A A . 20 ILE C 1 1 20 6518 1 1 20 ILE CA C -1.953 -1.683 9.429 1.00 . A A . 20 ILE CA 1 1 20 6519 1 1 20 ILE CB C -2.712 -0.396 9.745 1.00 . A A . 20 ILE CB 1 1 20 6520 1 1 20 ILE CD1 C -0.814 0.110 11.295 1.00 . A A . 20 ILE CD1 1 1 20 6521 1 1 20 ILE CG1 C -1.724 0.678 10.203 1.00 . A A . 20 ILE CG1 1 1 20 6522 1 1 20 ILE CG2 C -3.727 -0.659 10.861 1.00 . A A . 20 ILE CG2 1 1 20 6523 1 1 20 ILE H H -1.641 -1.256 7.332 1.00 . A A . 20 ILE H 1 1 20 6524 1 1 20 ILE HA H -1.270 -1.907 10.236 1.00 . A A . 20 ILE HA 1 1 20 6525 1 1 20 ILE HB H -3.231 -0.057 8.860 1.00 . A A . 20 ILE HB 1 1 20 6526 1 1 20 ILE HD11 H -0.050 -0.504 10.843 1.00 . A A . 20 ILE HD11 1 1 20 6527 1 1 20 ILE HD12 H -1.401 -0.487 11.977 1.00 . A A . 20 ILE HD12 1 1 20 6528 1 1 20 ILE HD13 H -0.351 0.922 11.835 1.00 . A A . 20 ILE HD13 1 1 20 6529 1 1 20 ILE HG12 H -1.123 0.997 9.363 1.00 . A A . 20 ILE HG12 1 1 20 6530 1 1 20 ILE HG13 H -2.270 1.518 10.596 1.00 . A A . 20 ILE HG13 1 1 20 6531 1 1 20 ILE HG21 H -3.763 0.193 11.523 1.00 . A A . 20 ILE HG21 1 1 20 6532 1 1 20 ILE HG22 H -3.430 -1.536 11.418 1.00 . A A . 20 ILE HG22 1 1 20 6533 1 1 20 ILE HG23 H -4.703 -0.821 10.428 1.00 . A A . 20 ILE HG23 1 1 20 6534 1 1 20 ILE N N -1.181 -1.513 8.164 1.00 . A A . 20 ILE N 1 1 20 6535 1 1 20 ILE O O -4.119 -2.641 9.064 1.00 . A A . 20 ILE O 1 1 20 6536 1 1 21 TRP C C -4.529 -5.087 10.267 1.00 . A A . 21 TRP C 1 1 20 6537 1 1 21 TRP CA C -3.380 -5.220 9.266 1.00 . A A . 21 TRP CA 1 1 20 6538 1 1 21 TRP CB C -2.636 -6.542 9.522 1.00 . A A . 21 TRP CB 1 1 20 6539 1 1 21 TRP CD1 C -0.324 -7.127 10.351 1.00 . A A . 21 TRP CD1 1 1 20 6540 1 1 21 TRP CD2 C -1.188 -5.369 11.459 1.00 . A A . 21 TRP CD2 1 1 20 6541 1 1 21 TRP CE2 C 0.099 -5.604 12.002 1.00 . A A . 21 TRP CE2 1 1 20 6542 1 1 21 TRP CE3 C -1.943 -4.307 11.989 1.00 . A A . 21 TRP CE3 1 1 20 6543 1 1 21 TRP CG C -1.432 -6.350 10.402 1.00 . A A . 21 TRP CG 1 1 20 6544 1 1 21 TRP CH2 C -0.151 -3.769 13.547 1.00 . A A . 21 TRP CH2 1 1 20 6545 1 1 21 TRP CZ2 C 0.615 -4.818 13.032 1.00 . A A . 21 TRP CZ2 1 1 20 6546 1 1 21 TRP CZ3 C -1.426 -3.514 13.027 1.00 . A A . 21 TRP CZ3 1 1 20 6547 1 1 21 TRP H H -1.512 -4.179 9.571 1.00 . A A . 21 TRP H 1 1 20 6548 1 1 21 TRP HA H -3.788 -5.233 8.266 1.00 . A A . 21 TRP HA 1 1 20 6549 1 1 21 TRP HB2 H -3.309 -7.236 9.999 1.00 . A A . 21 TRP HB2 1 1 20 6550 1 1 21 TRP HB3 H -2.320 -6.955 8.576 1.00 . A A . 21 TRP HB3 1 1 20 6551 1 1 21 TRP HD1 H -0.173 -7.958 9.678 1.00 . A A . 21 TRP HD1 1 1 20 6552 1 1 21 TRP HE1 H 1.467 -7.074 11.456 1.00 . A A . 21 TRP HE1 1 1 20 6553 1 1 21 TRP HE3 H -2.922 -4.099 11.595 1.00 . A A . 21 TRP HE3 1 1 20 6554 1 1 21 TRP HH2 H 0.240 -3.155 14.345 1.00 . A A . 21 TRP HH2 1 1 20 6555 1 1 21 TRP HZ2 H 1.598 -5.019 13.428 1.00 . A A . 21 TRP HZ2 1 1 20 6556 1 1 21 TRP HZ3 H -2.017 -2.702 13.427 1.00 . A A . 21 TRP HZ3 1 1 20 6557 1 1 21 TRP N N -2.465 -4.048 9.398 1.00 . A A . 21 TRP N 1 1 20 6558 1 1 21 TRP NE1 N 0.582 -6.684 11.295 1.00 . A A . 21 TRP NE1 1 1 20 6559 1 1 21 TRP O O -5.508 -4.440 9.933 1.00 . A A . 21 TRP O 1 1 20 6560 1 1 21 TRP OXT O -4.411 -5.636 11.350 1.00 . A A . 21 TRP OXT 1 1 stop_ save_
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