NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
393144 | 1qfd | 4404 | cing | recoord | 4-filtered-FRED | STAR | entry | full | 277 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1qfd # This FRED archive file contains, for PDB entry <1qfd>: # # - 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_1qfd _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1qfd _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3583.02 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 $PROTEIN__ALPHA_AMYLASE_INHIBITOR_ A . 1 1 stop_ save_ save_PROTEIN__ALPHA_AMYLASE_INHIBITOR_ _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "PROTEIN ALPHA AMYLASE INHIBITOR " _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code CIPKWNRCGPKMDGVPCCEPYTCTSDYYGNCS _Entity.Number_of_monomers 32 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 ILE . 1 1 3 PRO . 1 1 4 LYS . 1 1 5 TRP . 1 1 6 ASN . 1 1 7 ARG . 1 1 8 CYS . 1 1 9 GLY . 1 1 10 PRO . 1 1 11 LYS . 1 1 12 MET . 1 1 13 ASP . 1 1 14 GLY . 1 1 15 VAL . 1 1 16 PRO . 1 1 17 CYS . 1 1 18 CYS . 1 1 19 GLU . 1 1 20 PRO . 1 1 21 TYR . 1 1 22 THR . 1 1 23 CYS . 1 1 24 THR . 1 1 25 SER . 1 1 26 ASP . 1 1 27 TYR . 1 1 28 TYR . 1 1 29 GLY . 1 1 30 ASN . 1 1 31 CYS . 1 1 32 SER . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID CYS 1 1 1 1 ILE 2 2 1 1 PRO 3 3 1 1 LYS 4 4 1 1 TRP 5 5 1 1 ASN 6 6 1 1 ARG 7 7 1 1 CYS 8 8 1 1 GLY 9 9 1 1 PRO 10 10 1 1 LYS 11 11 1 1 MET 12 12 1 1 ASP 13 13 1 1 GLY 14 14 1 1 VAL 15 15 1 1 PRO 16 16 1 1 CYS 17 17 1 1 CYS 18 18 1 1 GLU 19 19 1 1 PRO 20 20 1 1 TYR 21 21 1 1 THR 22 22 1 1 CYS 23 23 1 1 THR 24 24 1 1 SER 25 25 1 1 ASP 26 26 1 1 TYR 27 27 1 1 TYR 28 28 1 1 GLY 29 29 1 1 ASN 30 30 1 1 CYS 31 31 1 1 SER 32 32 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 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 ILE H . 2 . HN 1 1 2 1 1 1 1 1 CYS HA . 1 . HA 1 1 2 1 2 1 1 2 ILE MD . 2 . HD# 1 1 3 1 1 1 1 1 CYS HA . 1 . HA 1 1 3 1 2 1 1 18 CYS H . 18 . HN 1 1 4 1 1 1 1 1 CYS HA . 1 . HA 1 1 4 1 2 1 1 18 CYS HA . 18 . HA 1 1 5 1 1 1 1 1 CYS HA . 1 . HA 1 1 5 1 2 1 1 18 CYS QB . 18 . HB# 1 1 6 1 1 1 1 1 CYS QB . 1 . HB# 1 1 6 1 2 1 1 2 ILE H . 2 . HN 1 1 7 1 1 1 1 1 CYS QB . 1 . HB# 1 1 7 1 2 1 1 15 VAL QG . 15 . HG# 1 1 8 1 1 1 1 1 CYS QB . 1 . HB# 1 1 8 1 2 1 1 16 PRO QG . 16 . HG# 1 1 9 1 1 1 1 1 CYS QB . 1 . HB# 1 1 9 1 2 1 1 18 CYS H . 18 . HN 1 1 10 1 1 1 1 1 CYS QB . 1 . HB# 1 1 10 1 2 1 1 18 CYS HA . 18 . HA 1 1 11 1 1 1 1 1 CYS QB . 1 . HB# 1 1 11 1 2 1 1 18 CYS QB . 18 . HB# 1 1 12 1 1 1 1 1 CYS QB . 1 . HB# 1 1 12 1 2 1 1 19 GLU H . 19 . HN 1 1 13 1 1 1 1 2 ILE H . 2 . HN 1 1 13 1 2 1 1 2 ILE HB . 2 . HB 1 1 14 1 1 1 1 2 ILE H . 2 . HN 1 1 14 1 2 1 1 2 ILE MD . 2 . HD# 1 1 15 1 1 1 1 2 ILE H . 2 . HN 1 1 15 1 2 1 1 2 ILE QG . 2 . HG1# 1 1 16 1 1 1 1 2 ILE H . 2 . HN 1 1 16 1 2 1 1 2 ILE MG . 2 . HG2# 1 1 17 1 1 1 1 2 ILE H . 2 . HN 1 1 17 1 2 1 1 17 CYS HA . 17 . HA 1 1 18 1 1 1 1 2 ILE H . 2 . HN 1 1 18 1 2 1 1 18 CYS H . 18 . HN 1 1 19 1 1 1 1 2 ILE HA . 2 . HA 1 1 19 1 2 1 1 2 ILE MD . 2 . HD# 1 1 20 1 1 1 1 2 ILE HA . 2 . HA 1 1 20 1 2 1 1 3 PRO QD . 3 . HD# 1 1 21 1 1 1 1 2 ILE HA . 2 . HA 1 1 21 1 2 1 1 6 ASN QB . 6 . HB# 1 1 22 1 1 1 1 2 ILE HA . 2 . HA 1 1 22 1 2 1 1 17 CYS HA . 17 . HA 1 1 23 1 1 1 1 2 ILE HB . 2 . HB 1 1 23 1 2 1 1 15 VAL QG . 15 . HG# 1 1 24 1 1 1 1 2 ILE HB . 2 . HB 1 1 24 1 2 1 1 17 CYS HA . 17 . HA 1 1 25 1 1 1 1 2 ILE HB . 2 . HB 1 1 25 1 2 1 1 17 CYS QB . 17 . HB# 1 1 26 1 1 1 1 2 ILE HB . 2 . HB 1 1 26 1 2 1 1 18 CYS H . 18 . HN 1 1 27 1 1 1 1 2 ILE MD . 2 . HD# 1 1 27 1 2 1 1 15 VAL QG . 15 . HG# 1 1 28 1 1 1 1 2 ILE MD . 2 . HD# 1 1 28 1 2 1 1 18 CYS H . 18 . HN 1 1 29 1 1 1 1 2 ILE QG . 2 . HG1# 1 1 29 1 2 1 1 3 PRO QD . 3 . HD# 1 1 30 1 1 1 1 2 ILE QG . 2 . HG1# 1 1 30 1 2 1 1 6 ASN QB . 6 . HB# 1 1 31 1 1 1 1 2 ILE QG . 2 . HG1# 1 1 31 1 2 1 1 8 CYS HA . 8 . HA 1 1 32 1 1 1 1 2 ILE QG . 2 . HG1# 1 1 32 1 2 1 1 9 GLY H . 9 . HN 1 1 33 1 1 1 1 2 ILE QG . 2 . HG1# 1 1 33 1 2 1 1 15 VAL HB . 15 . HB 1 1 34 1 1 1 1 2 ILE QG . 2 . HG1# 1 1 34 1 2 1 1 17 CYS HA . 17 . HA 1 1 35 1 1 1 1 2 ILE QG . 2 . HG1# 1 1 35 1 2 1 1 18 CYS H . 18 . HN 1 1 36 1 1 1 1 2 ILE MG . 2 . HG2# 1 1 36 1 2 1 1 6 ASN QB . 6 . HB# 1 1 37 1 1 1 1 2 ILE MG . 2 . HG2# 1 1 37 1 2 1 1 18 CYS H . 18 . HN 1 1 38 1 1 1 1 3 PRO HA . 3 . HA 1 1 38 1 2 1 1 4 LYS H . 4 . HN 1 1 39 1 1 1 1 3 PRO HA . 3 . HA 1 1 39 1 2 1 1 18 CYS H . 18 . HN 1 1 40 1 1 1 1 3 PRO QB . 3 . HB# 1 1 40 1 2 1 1 4 LYS H . 4 . HN 1 1 41 1 1 1 1 3 PRO QB . 3 . HB# 1 1 41 1 2 1 1 6 ASN H . 6 . HN 1 1 42 1 1 1 1 3 PRO QB . 3 . HB# 1 1 42 1 2 1 1 6 ASN QB . 6 . HB# 1 1 43 1 1 1 1 3 PRO QB . 3 . HB# 1 1 43 1 2 1 1 6 ASN QD . 6 . HD2# 1 1 44 1 1 1 1 3 PRO QD . 3 . HD# 1 1 44 1 2 1 1 6 ASN QB . 6 . HB# 1 1 45 1 1 1 1 3 PRO QD . 3 . HD# 1 1 45 1 2 1 1 6 ASN QD . 6 . HD2# 1 1 46 1 1 1 1 3 PRO QG . 3 . HG# 1 1 46 1 2 1 1 6 ASN QD . 6 . HD2# 1 1 47 1 1 1 1 4 LYS H . 4 . HN 1 1 47 1 2 1 1 4 LYS HA . 4 . HA 1 1 48 1 1 1 1 4 LYS H . 4 . HN 1 1 48 1 2 1 1 4 LYS QB . 4 . HB# 1 1 49 1 1 1 1 4 LYS H . 4 . HN 1 1 49 1 2 1 1 4 LYS QG . 4 . HG# 1 1 50 1 1 1 1 4 LYS H . 4 . HN 1 1 50 1 2 1 1 5 TRP H . 5 . HN 1 1 51 1 1 1 1 4 LYS H . 4 . HN 1 1 51 1 2 1 1 18 CYS H . 18 . HN 1 1 52 1 1 1 1 4 LYS H . 4 . HN 1 1 52 1 2 1 1 21 TYR QD . 21 . HD# 1 1 53 1 1 1 1 4 LYS H . 4 . HN 1 1 53 1 2 1 1 21 TYR QE . 21 . HE# 1 1 54 1 1 1 1 4 LYS H . 4 . HN 1 1 54 1 2 1 1 31 CYS QB . 31 . HB# 1 1 55 1 1 1 1 4 LYS HA . 4 . HA 1 1 55 1 2 1 1 5 TRP H . 5 . HN 1 1 56 1 1 1 1 4 LYS HA . 4 . HA 1 1 56 1 2 1 1 6 ASN H . 6 . HN 1 1 57 1 1 1 1 4 LYS QB . 4 . HB# 1 1 57 1 2 1 1 5 TRP H . 5 . HN 1 1 58 1 1 1 1 4 LYS QB . 4 . HB# 1 1 58 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1 59 1 1 1 1 4 LYS QB . 4 . HB# 1 1 59 1 2 1 1 21 TYR QD . 21 . HD# 1 1 60 1 1 1 1 4 LYS QB . 4 . HB# 1 1 60 1 2 1 1 21 TYR QE . 21 . HE# 1 1 61 1 1 1 1 4 LYS QG . 4 . HG# 1 1 61 1 2 1 1 5 TRP H . 5 . HN 1 1 62 1 1 1 1 4 LYS QG . 4 . HG# 1 1 62 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1 63 1 1 1 1 4 LYS QG . 4 . HG# 1 1 63 1 2 1 1 21 TYR QD . 21 . HD# 1 1 64 1 1 1 1 4 LYS QG . 4 . HG# 1 1 64 1 2 1 1 21 TYR QE . 21 . HE# 1 1 65 1 1 1 1 4 LYS QG . 4 . HG# 1 1 65 1 2 1 1 32 SER HA . 32 . HA 1 1 66 1 1 1 1 5 TRP H . 5 . HN 1 1 66 1 2 1 1 5 TRP HA . 5 . HA 1 1 67 1 1 1 1 5 TRP H . 5 . HN 1 1 67 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1 68 1 1 1 1 5 TRP H . 5 . HN 1 1 68 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1 69 1 1 1 1 5 TRP H . 5 . HN 1 1 69 1 2 1 1 6 ASN H . 6 . HN 1 1 70 1 1 1 1 5 TRP H . 5 . HN 1 1 70 1 2 1 1 21 TYR QD . 21 . HD# 1 1 71 1 1 1 1 5 TRP H . 5 . HN 1 1 71 1 2 1 1 30 ASN QB . 30 . HB# 1 1 72 1 1 1 1 5 TRP H . 5 . HN 1 1 72 1 2 1 1 31 CYS H . 31 . HN 1 1 73 1 1 1 1 5 TRP H . 5 . HN 1 1 73 1 2 1 1 31 CYS QB . 31 . HB# 1 1 74 1 1 1 1 5 TRP H . 5 . HN 1 1 74 1 2 1 1 32 SER HA . 32 . HA 1 1 75 1 1 1 1 5 TRP HA . 5 . HA 1 1 75 1 2 1 1 5 TRP HD1 . 5 . HD1 1 1 76 1 1 1 1 5 TRP HA . 5 . HA 1 1 76 1 2 1 1 5 TRP HE1 . 5 . HE1 1 1 77 1 1 1 1 5 TRP HA . 5 . HA 1 1 77 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1 78 1 1 1 1 5 TRP HA . 5 . HA 1 1 78 1 2 1 1 6 ASN H . 6 . HN 1 1 79 1 1 1 1 5 TRP HA . 5 . HA 1 1 79 1 2 1 1 31 CYS H . 31 . HN 1 1 80 1 1 1 1 5 TRP QB . 5 . HB# 1 1 80 1 2 1 1 5 TRP HE3 . 5 . HE3 1 1 81 1 1 1 1 5 TRP QB . 5 . HB# 1 1 81 1 2 1 1 6 ASN H . 6 . HN 1 1 82 1 1 1 1 5 TRP HD1 . 5 . HD1 1 1 82 1 2 1 1 32 SER HA . 32 . HA 1 1 83 1 1 1 1 5 TRP HD1 . 5 . HD1 1 1 83 1 2 1 1 32 SER QB . 32 . HB# 1 1 84 1 1 1 1 5 TRP HE1 . 5 . HE1 1 1 84 1 2 1 1 32 SER HA . 32 . HA 1 1 85 1 1 1 1 5 TRP HH2 . 5 . HH2 1 1 85 1 2 1 1 32 SER QB . 32 . HB# 1 1 86 1 1 1 1 6 ASN H . 6 . HN 1 1 86 1 2 1 1 6 ASN QB . 6 . HB# 1 1 87 1 1 1 1 6 ASN H . 6 . HN 1 1 87 1 2 1 1 6 ASN QD . 6 . HD2# 1 1 88 1 1 1 1 6 ASN H . 6 . HN 1 1 88 1 2 1 1 31 CYS H . 31 . HN 1 1 89 1 1 1 1 6 ASN H . 6 . HN 1 1 89 1 2 1 1 31 CYS QB . 31 . HB# 1 1 90 1 1 1 1 6 ASN HA . 6 . HA 1 1 90 1 2 1 1 7 ARG H . 7 . HN 1 1 91 1 1 1 1 6 ASN QB . 6 . HB# 1 1 91 1 2 1 1 7 ARG H . 7 . HN 1 1 92 1 1 1 1 7 ARG H . 7 . HN 1 1 92 1 2 1 1 7 ARG QG . 7 . HG# 1 1 93 1 1 1 1 7 ARG QB . 7 . HB# 1 1 93 1 2 1 1 8 CYS H . 8 . HN 1 1 94 1 1 1 1 7 ARG QG . 7 . HG# 1 1 94 1 2 1 1 8 CYS H . 8 . HN 1 1 95 1 1 1 1 8 CYS H . 8 . HN 1 1 95 1 2 1 1 9 GLY H . 9 . HN 1 1 96 1 1 1 1 8 CYS H . 8 . HN 1 1 96 1 2 1 1 29 GLY H . 29 . HN 1 1 97 1 1 1 1 8 CYS H . 8 . HN 1 1 97 1 2 1 1 30 ASN HA . 30 . HA 1 1 98 1 1 1 1 8 CYS HA . 8 . HA 1 1 98 1 2 1 1 9 GLY H . 9 . HN 1 1 99 1 1 1 1 8 CYS QB . 8 . HB# 1 1 99 1 2 1 1 9 GLY H . 9 . HN 1 1 100 1 1 1 1 8 CYS QB . 8 . HB# 1 1 100 1 2 1 1 30 ASN HA . 30 . HA 1 1 101 1 1 1 1 9 GLY H . 9 . HN 1 1 101 1 2 1 1 10 PRO HA . 10 . HA 1 1 102 1 1 1 1 9 GLY H . 9 . HN 1 1 102 1 2 1 1 10 PRO QD . 10 . HD# 1 1 103 1 1 1 1 9 GLY H . 9 . HN 1 1 103 1 2 1 1 10 PRO QG . 10 . HG# 1 1 104 1 1 1 1 9 GLY QA . 9 . HA# 1 1 104 1 2 1 1 10 PRO QD . 10 . HD# 1 1 105 1 1 1 1 9 GLY QA . 9 . HA# 1 1 105 1 2 1 1 11 LYS H . 11 . HN 1 1 106 1 1 1 1 9 GLY QA . 9 . HA# 1 1 106 1 2 1 1 12 MET H . 12 . HN 1 1 107 1 1 1 1 9 GLY QA . 9 . HA# 1 1 107 1 2 1 1 12 MET QB . 12 . HB# 1 1 108 1 1 1 1 9 GLY QA . 9 . HA# 1 1 108 1 2 1 1 27 TYR HA . 27 . HA 1 1 109 1 1 1 1 9 GLY QA . 9 . HA# 1 1 109 1 2 1 1 28 TYR H . 28 . HN 1 1 110 1 1 1 1 9 GLY QA . 9 . HA# 1 1 110 1 2 1 1 29 GLY H . 29 . HN 1 1 111 1 1 1 1 10 PRO HA . 10 . HA 1 1 111 1 2 1 1 11 LYS H . 11 . HN 1 1 112 1 1 1 1 10 PRO HA . 10 . HA 1 1 112 1 2 1 1 12 MET H . 12 . HN 1 1 113 1 1 1 1 10 PRO HA . 10 . HA 1 1 113 1 2 1 1 13 ASP H . 13 . HN 1 1 114 1 1 1 1 10 PRO HA . 10 . HA 1 1 114 1 2 1 1 14 GLY H . 14 . HN 1 1 115 1 1 1 1 10 PRO HA . 10 . HA 1 1 115 1 2 1 1 15 VAL H . 15 . HN 1 1 116 1 1 1 1 10 PRO QD . 10 . HD# 1 1 116 1 2 1 1 11 LYS H . 11 . HN 1 1 117 1 1 1 1 10 PRO QD . 10 . HD# 1 1 117 1 2 1 1 12 MET H . 12 . HN 1 1 118 1 1 1 1 10 PRO QD . 10 . HD# 1 1 118 1 2 1 1 23 CYS QB . 23 . HB# 1 1 119 1 1 1 1 10 PRO QD . 10 . HD# 1 1 119 1 2 1 1 26 ASP HA . 26 . HA 1 1 120 1 1 1 1 10 PRO QG . 10 . HG# 1 1 120 1 2 1 1 23 CYS H . 23 . HN 1 1 121 1 1 1 1 10 PRO QG . 10 . HG# 1 1 121 1 2 1 1 23 CYS QB . 23 . HB# 1 1 122 1 1 1 1 11 LYS H . 11 . HN 1 1 122 1 2 1 1 11 LYS QB . 11 . HB# 1 1 123 1 1 1 1 11 LYS H . 11 . HN 1 1 123 1 2 1 1 11 LYS QG . 11 . HG# 1 1 124 1 1 1 1 11 LYS H . 11 . HN 1 1 124 1 2 1 1 12 MET H . 12 . HN 1 1 125 1 1 1 1 11 LYS H . 11 . HN 1 1 125 1 2 1 1 13 ASP H . 13 . HN 1 1 126 1 1 1 1 11 LYS H . 11 . HN 1 1 126 1 2 1 1 26 ASP HA . 26 . HA 1 1 127 1 1 1 1 11 LYS H . 11 . HN 1 1 127 1 2 1 1 26 ASP QB . 26 . HB# 1 1 128 1 1 1 1 11 LYS H . 11 . HN 1 1 128 1 2 1 1 27 TYR HA . 27 . HA 1 1 129 1 1 1 1 11 LYS H . 11 . HN 1 1 129 1 2 1 1 27 TYR QD . 27 . HD# 1 1 130 1 1 1 1 11 LYS H . 11 . HN 1 1 130 1 2 1 1 27 TYR QE . 27 . HE# 1 1 131 1 1 1 1 11 LYS HA . 11 . HA 1 1 131 1 2 1 1 12 MET H . 12 . HN 1 1 132 1 1 1 1 11 LYS HA . 11 . HA 1 1 132 1 2 1 1 13 ASP H . 13 . HN 1 1 133 1 1 1 1 11 LYS QB . 11 . HB# 1 1 133 1 2 1 1 12 MET H . 12 . HN 1 1 134 1 1 1 1 11 LYS QB . 11 . HB# 1 1 134 1 2 1 1 26 ASP QB . 26 . HB# 1 1 135 1 1 1 1 11 LYS QB . 11 . HB# 1 1 135 1 2 1 1 27 TYR QE . 27 . HE# 1 1 136 1 1 1 1 11 LYS QG . 11 . HG# 1 1 136 1 2 1 1 12 MET H . 12 . HN 1 1 137 1 1 1 1 11 LYS QG . 11 . HG# 1 1 137 1 2 1 1 26 ASP HA . 26 . HA 1 1 138 1 1 1 1 11 LYS QG . 11 . HG# 1 1 138 1 2 1 1 26 ASP QB . 26 . HB# 1 1 139 1 1 1 1 11 LYS QG . 11 . HG# 1 1 139 1 2 1 1 27 TYR QE . 27 . HE# 1 1 140 1 1 1 1 12 MET H . 12 . HN 1 1 140 1 2 1 1 12 MET QB . 12 . HB# 1 1 141 1 1 1 1 12 MET H . 12 . HN 1 1 141 1 2 1 1 12 MET QG . 12 . HG# 1 1 142 1 1 1 1 12 MET H . 12 . HN 1 1 142 1 2 1 1 13 ASP H . 13 . HN 1 1 143 1 1 1 1 12 MET H . 12 . HN 1 1 143 1 2 1 1 27 TYR HA . 27 . HA 1 1 144 1 1 1 1 12 MET H . 12 . HN 1 1 144 1 2 1 1 27 TYR QD . 27 . HD# 1 1 145 1 1 1 1 12 MET H . 12 . HN 1 1 145 1 2 1 1 27 TYR QE . 27 . HE# 1 1 146 1 1 1 1 12 MET QB . 12 . HB# 1 1 146 1 2 1 1 13 ASP H . 13 . HN 1 1 147 1 1 1 1 12 MET QB . 12 . HB# 1 1 147 1 2 1 1 14 GLY H . 14 . HN 1 1 148 1 1 1 1 12 MET QG . 12 . HG# 1 1 148 1 2 1 1 27 TYR HA . 27 . HA 1 1 149 1 1 1 1 13 ASP H . 13 . HN 1 1 149 1 2 1 1 13 ASP QB . 13 . HB# 1 1 150 1 1 1 1 13 ASP H . 13 . HN 1 1 150 1 2 1 1 14 GLY H . 14 . HN 1 1 151 1 1 1 1 13 ASP H . 13 . HN 1 1 151 1 2 1 1 14 GLY QA . 14 . HA# 1 1 152 1 1 1 1 13 ASP H . 13 . HN 1 1 152 1 2 1 1 15 VAL H . 15 . HN 1 1 153 1 1 1 1 13 ASP HA . 13 . HA 1 1 153 1 2 1 1 15 VAL QG . 15 . HG# 1 1 154 1 1 1 1 13 ASP QB . 13 . HB# 1 1 154 1 2 1 1 14 GLY H . 14 . HN 1 1 155 1 1 1 1 13 ASP QB . 13 . HB# 1 1 155 1 2 1 1 15 VAL H . 15 . HN 1 1 156 1 1 1 1 13 ASP QB . 13 . HB# 1 1 156 1 2 1 1 15 VAL QG . 15 . HG# 1 1 157 1 1 1 1 14 GLY H . 14 . HN 1 1 157 1 2 1 1 15 VAL H . 15 . HN 1 1 158 1 1 1 1 14 GLY H . 14 . HN 1 1 158 1 2 1 1 15 VAL HB . 15 . HB# 1 1 159 1 1 1 1 14 GLY H . 14 . HN 1 1 159 1 2 1 1 15 VAL QG . 15 . HG# 1 1 160 1 1 1 1 14 GLY QA . 14 . HA# 1 1 160 1 2 1 1 15 VAL H . 15 . HN 1 1 161 1 1 1 1 15 VAL H . 15 . HN 1 1 161 1 2 1 1 15 VAL HB . 15 . HB 1 1 162 1 1 1 1 15 VAL H . 15 . HN 1 1 162 1 2 1 1 15 VAL QG . 15 . HG# 1 1 163 1 1 1 1 15 VAL HA . 15 . HA 1 1 163 1 2 1 1 16 PRO QD . 16 . HD# 1 1 164 1 1 1 1 15 VAL QG . 15 . HG# 1 1 164 1 2 1 1 16 PRO QD . 16 . HD# 1 1 165 1 1 1 1 16 PRO QB . 16 . HB# 1 1 165 1 2 1 1 17 CYS H . 17 . HN 1 1 166 1 1 1 1 17 CYS H . 17 . HN 1 1 166 1 2 1 1 17 CYS QB . 17 . HB# 1 1 167 1 1 1 1 17 CYS H . 17 . HN 1 1 167 1 2 1 1 18 CYS H . 18 . HN 1 1 168 1 1 1 1 17 CYS H . 17 . HN 1 1 168 1 2 1 1 31 CYS QB . 31 . HB# 1 1 169 1 1 1 1 17 CYS HA . 17 . HA 1 1 169 1 2 1 1 18 CYS H . 18 . HN 1 1 170 1 1 1 1 17 CYS QB . 17 . HB# 1 1 170 1 2 1 1 18 CYS H . 18 . HN 1 1 171 1 1 1 1 17 CYS QB . 17 . HB# 1 1 171 1 2 1 1 21 TYR H . 21 . HN 1 1 172 1 1 1 1 17 CYS QB . 17 . HB# 1 1 172 1 2 1 1 21 TYR QB . 21 . HB# 1 1 173 1 1 1 1 17 CYS QB . 17 . HB# 1 1 173 1 2 1 1 22 THR HA . 22 . HA 1 1 174 1 1 1 1 17 CYS QB . 17 . HB# 1 1 174 1 2 1 1 23 CYS H . 23 . HN 1 1 175 1 1 1 1 18 CYS H . 18 . HN 1 1 175 1 2 1 1 18 CYS QB . 18 . HB# 1 1 176 1 1 1 1 18 CYS H . 18 . HN 1 1 176 1 2 1 1 19 GLU H . 19 . HN 1 1 177 1 1 1 1 18 CYS H . 18 . HN 1 1 177 1 2 1 1 21 TYR QD . 21 . HD# 1 1 178 1 1 1 1 18 CYS HA . 18 . HA 1 1 178 1 2 1 1 19 GLU H . 19 . HN 1 1 179 1 1 1 1 18 CYS QB . 18 . HB# 1 1 179 1 2 1 1 19 GLU H . 19 . HN 1 1 180 1 1 1 1 18 CYS QB . 18 . HB# 1 1 180 1 2 1 1 21 TYR QD . 21 . HD# 1 1 181 1 1 1 1 18 CYS QB . 18 . HB# 1 1 181 1 2 1 1 21 TYR QE . 21 . HE# 1 1 182 1 1 1 1 19 GLU H . 19 . HN 1 1 182 1 2 1 1 19 GLU QB . 19 . HB# 1 1 183 1 1 1 1 19 GLU H . 19 . HN 1 1 183 1 2 1 1 19 GLU QG . 19 . HG# 1 1 184 1 1 1 1 19 GLU H . 19 . HN 1 1 184 1 2 1 1 20 PRO QD . 20 . HD# 1 1 185 1 1 1 1 19 GLU H . 19 . HN 1 1 185 1 2 1 1 21 TYR H . 21 . HN 1 1 186 1 1 1 1 19 GLU HA . 19 . HA 1 1 186 1 2 1 1 19 GLU QG . 19 . HG# 1 1 187 1 1 1 1 19 GLU HA . 19 . HA 1 1 187 1 2 1 1 20 PRO HA . 20 . HA 1 1 188 1 1 1 1 19 GLU HA . 19 . HA 1 1 188 1 2 1 1 21 TYR H . 21 . HN 1 1 189 1 1 1 1 19 GLU QB . 19 . HB# 1 1 189 1 2 1 1 21 TYR H . 21 . HN 1 1 190 1 1 1 1 20 PRO QB . 20 . HB# 1 1 190 1 2 1 1 21 TYR H . 21 . HN 1 1 191 1 1 1 1 20 PRO QB . 20 . HB# 1 1 191 1 2 1 1 21 TYR QE . 21 . HE# 1 1 192 1 1 1 1 20 PRO QD . 20 . HD# 1 1 192 1 2 1 1 21 TYR H . 21 . HN 1 1 193 1 1 1 1 20 PRO QD . 20 . HD# 1 1 193 1 2 1 1 21 TYR QD . 21 . HD# 1 1 194 1 1 1 1 20 PRO QD . 20 . HD# 1 1 194 1 2 1 1 21 TYR QE . 21 . HE# 1 1 195 1 1 1 1 20 PRO QG . 20 . HG# 1 1 195 1 2 1 1 21 TYR H . 21 . HN 1 1 196 1 1 1 1 20 PRO QG . 20 . HG# 1 1 196 1 2 1 1 21 TYR QD . 21 . HD# 1 1 197 1 1 1 1 20 PRO QG . 20 . HG# 1 1 197 1 2 1 1 21 TYR QE . 21 . HE# 1 1 198 1 1 1 1 21 TYR H . 21 . HN 1 1 198 1 2 1 1 21 TYR QB . 21 . HB# 1 1 199 1 1 1 1 21 TYR H . 21 . HN 1 1 199 1 2 1 1 21 TYR QD . 21 . HD# 1 1 200 1 1 1 1 21 TYR H . 21 . HN 1 1 200 1 2 1 1 22 THR H . 22 . HN 1 1 201 1 1 1 1 21 TYR HA . 21 . HA 1 1 201 1 2 1 1 21 TYR QD . 21 . HD# 1 1 202 1 1 1 1 21 TYR HA . 21 . HA 1 1 202 1 2 1 1 21 TYR QE . 21 . HE# 1 1 203 1 1 1 1 21 TYR HA . 21 . HA 1 1 203 1 2 1 1 22 THR H . 22 . HN 1 1 204 1 1 1 1 21 TYR QB . 21 . HB# 1 1 204 1 2 1 1 21 TYR QD . 21 . HD# 1 1 205 1 1 1 1 21 TYR QB . 21 . HB# 1 1 205 1 2 1 1 22 THR H . 22 . HN 1 1 206 1 1 1 1 21 TYR QB . 21 . HB# 1 1 206 1 2 1 1 31 CYS HA . 31 . HA 1 1 207 1 1 1 1 21 TYR QB . 21 . HB# 1 1 207 1 2 1 1 32 SER HA . 32 . HA 1 1 208 1 1 1 1 21 TYR QD . 21 . HD# 1 1 208 1 2 1 1 22 THR H . 22 . HN 1 1 209 1 1 1 1 21 TYR QD . 21 . HD# 1 1 209 1 2 1 1 32 SER HA . 32 . HA 1 1 210 1 1 1 1 21 TYR QD . 21 . HD# 1 1 210 1 2 1 1 32 SER QB . 32 . HB# 1 1 211 1 1 1 1 21 TYR QE . 21 . HE# 1 1 211 1 2 1 1 22 THR H . 22 . HN 1 1 212 1 1 1 1 21 TYR QE . 21 . HE# 1 1 212 1 2 1 1 32 SER HA . 32 . HA 1 1 213 1 1 1 1 22 THR H . 22 . HN 1 1 213 1 2 1 1 23 CYS H . 23 . HN 1 1 214 1 1 1 1 22 THR H . 22 . HN 1 1 214 1 2 1 1 32 SER H . 32 . HN 1 1 215 1 1 1 1 22 THR HA . 22 . HA 1 1 215 1 2 1 1 23 CYS H . 23 . HN 1 1 216 1 1 1 1 22 THR HB . 22 . HB 1 1 216 1 2 1 1 23 CYS H . 23 . HN 1 1 217 1 1 1 1 22 THR MG . 22 . HG2# 1 1 217 1 2 1 1 23 CYS H . 23 . HN 1 1 218 1 1 1 1 23 CYS H . 23 . HN 1 1 218 1 2 1 1 23 CYS QB . 23 . HB# 1 1 219 1 1 1 1 23 CYS HA . 23 . HA 1 1 219 1 2 1 1 31 CYS HA . 31 . HA 1 1 220 1 1 1 1 23 CYS QB . 23 . HB# 1 1 220 1 2 1 1 24 THR H . 24 . HN 1 1 221 1 1 1 1 23 CYS QB . 23 . HB# 1 1 221 1 2 1 1 25 SER H . 25 . HN 1 1 222 1 1 1 1 24 THR H . 24 . HN 1 1 222 1 2 1 1 24 THR MG . 24 . HG2# 1 1 223 1 1 1 1 24 THR H . 24 . HN 1 1 223 1 2 1 1 25 SER H . 25 . HN 1 1 224 1 1 1 1 24 THR H . 24 . HN 1 1 224 1 2 1 1 29 GLY QA . 29 . HA# 1 1 225 1 1 1 1 24 THR H . 24 . HN 1 1 225 1 2 1 1 30 ASN H . 30 . HN 1 1 226 1 1 1 1 24 THR H . 24 . HN 1 1 226 1 2 1 1 30 ASN QB . 30 . HB# 1 1 227 1 1 1 1 24 THR HA . 24 . HA 1 1 227 1 2 1 1 24 THR MG . 24 . HG2# 1 1 228 1 1 1 1 24 THR HA . 24 . HA 1 1 228 1 2 1 1 25 SER H . 25 . HN 1 1 229 1 1 1 1 24 THR MG . 24 . HG2# 1 1 229 1 2 1 1 25 SER H . 25 . HN 1 1 230 1 1 1 1 24 THR MG . 24 . HG2# 1 1 230 1 2 1 1 29 GLY QA . 29 . HA# 1 1 231 1 1 1 1 24 THR MG . 24 . HG2# 1 1 231 1 2 1 1 30 ASN H . 30 . HN 1 1 232 1 1 1 1 25 SER H . 25 . HN 1 1 232 1 2 1 1 25 SER QB . 25 . HB# 1 1 233 1 1 1 1 25 SER H . 25 . HN 1 1 233 1 2 1 1 26 ASP H . 26 . HN 1 1 234 1 1 1 1 25 SER H . 25 . HN 1 1 234 1 2 1 1 29 GLY H . 29 . HN 1 1 235 1 1 1 1 25 SER H . 25 . HN 1 1 235 1 2 1 1 30 ASN H . 30 . HN 1 1 236 1 1 1 1 25 SER HA . 25 . HA 1 1 236 1 2 1 1 26 ASP H . 26 . HN 1 1 237 1 1 1 1 25 SER QB . 25 . HB# 1 1 237 1 2 1 1 26 ASP H . 26 . HN 1 1 238 1 1 1 1 25 SER QB . 25 . HB# 1 1 238 1 2 1 1 27 TYR H . 27 . HN 1 1 239 1 1 1 1 25 SER QB . 25 . HB# 1 1 239 1 2 1 1 28 TYR H . 28 . HN 1 1 240 1 1 1 1 25 SER QB . 25 . HB# 1 1 240 1 2 1 1 29 GLY H . 29 . HN 1 1 241 1 1 1 1 25 SER QB . 25 . HB# 1 1 241 1 2 1 1 29 GLY QA . 29 . HA# 1 1 242 1 1 1 1 26 ASP H . 26 . HN 1 1 242 1 2 1 1 26 ASP QB . 26 . HB# 1 1 243 1 1 1 1 26 ASP H . 26 . HN 1 1 243 1 2 1 1 27 TYR H . 27 . HN 1 1 244 1 1 1 1 26 ASP H . 26 . HN 1 1 244 1 2 1 1 27 TYR QB . 27 . HB# 1 1 245 1 1 1 1 26 ASP H . 26 . HN 1 1 245 1 2 1 1 27 TYR QD . 27 . HD# 1 1 246 1 1 1 1 26 ASP H . 26 . HN 1 1 246 1 2 1 1 27 TYR QE . 27 . HE# 1 1 247 1 1 1 1 26 ASP H . 26 . HN 1 1 247 1 2 1 1 28 TYR H . 28 . HN 1 1 248 1 1 1 1 26 ASP HA . 26 . HA 1 1 248 1 2 1 1 27 TYR H . 27 . HN 1 1 249 1 1 1 1 26 ASP QB . 26 . HB# 1 1 249 1 2 1 1 27 TYR H . 27 . HN 1 1 250 1 1 1 1 26 ASP QB . 26 . HB# 1 1 250 1 2 1 1 27 TYR HA . 27 . HA 1 1 251 1 1 1 1 26 ASP QB . 26 . HB# 1 1 251 1 2 1 1 27 TYR QD . 27 . HD# 1 1 252 1 1 1 1 27 TYR H . 27 . HN 1 1 252 1 2 1 1 27 TYR QB . 27 . HB# 1 1 253 1 1 1 1 27 TYR H . 27 . HN 1 1 253 1 2 1 1 27 TYR QD . 27 . HD# 1 1 254 1 1 1 1 27 TYR H . 27 . HN 1 1 254 1 2 1 1 28 TYR H . 28 . HN 1 1 255 1 1 1 1 27 TYR HA . 27 . HA 1 1 255 1 2 1 1 27 TYR QD . 27 . HD# 1 1 256 1 1 1 1 27 TYR HA . 27 . HA 1 1 256 1 2 1 1 28 TYR H . 28 . HN 1 1 257 1 1 1 1 27 TYR QB . 27 . HB# 1 1 257 1 2 1 1 27 TYR QD . 27 . HD# 1 1 258 1 1 1 1 27 TYR QB . 27 . HB# 1 1 258 1 2 1 1 28 TYR H . 28 . HN 1 1 259 1 1 1 1 27 TYR QB . 27 . HB# 1 1 259 1 2 1 1 28 TYR QD . 28 . HD# 1 1 260 1 1 1 1 28 TYR H . 28 . HN 1 1 260 1 2 1 1 28 TYR QB . 28 . HB# 1 1 261 1 1 1 1 28 TYR H . 28 . HN 1 1 261 1 2 1 1 28 TYR QD . 28 . HD# 1 1 262 1 1 1 1 28 TYR H . 28 . HN 1 1 262 1 2 1 1 29 GLY H . 29 . HN 1 1 263 1 1 1 1 28 TYR QB . 28 . HB# 1 1 263 1 2 1 1 28 TYR QD . 28 . HD# 1 1 264 1 1 1 1 28 TYR QB . 28 . HB# 1 1 264 1 2 1 1 29 GLY H . 29 . HN 1 1 265 1 1 1 1 28 TYR QD . 28 . HD# 1 1 265 1 2 1 1 29 GLY H . 29 . HN 1 1 266 1 1 1 1 29 GLY QA . 29 . HA# 1 1 266 1 2 1 1 30 ASN H . 30 . HN 1 1 267 1 1 1 1 30 ASN H . 30 . HN 1 1 267 1 2 1 1 30 ASN QB . 30 . HB# 1 1 268 1 1 1 1 30 ASN H . 30 . HN 1 1 268 1 2 1 1 31 CYS H . 31 . HN 1 1 269 1 1 1 1 30 ASN HA . 30 . HA 1 1 269 1 2 1 1 31 CYS H . 31 . HN 1 1 270 1 1 1 1 30 ASN QB . 30 . HB# 1 1 270 1 2 1 1 31 CYS H . 31 . HN 1 1 271 1 1 1 1 31 CYS H . 31 . HN 1 1 271 1 2 1 1 31 CYS QB . 31 . HB# 1 1 272 1 1 1 1 31 CYS H . 31 . HN 1 1 272 1 2 1 1 32 SER H . 32 . HN 1 1 273 1 1 1 1 31 CYS HA . 31 . HA 1 1 273 1 2 1 1 32 SER H . 32 . HN 1 1 274 1 1 1 1 31 CYS HA . 31 . HA 1 1 274 1 2 1 1 32 SER HA . 32 . HA 1 1 275 1 1 1 1 31 CYS HA . 31 . HA 1 1 275 1 2 1 1 32 SER QB . 32 . HB# 1 1 276 1 1 1 1 31 CYS QB . 31 . HB# 1 1 276 1 2 1 1 32 SER H . 32 . HN 1 1 277 1 1 1 1 32 SER H . 32 . HN 1 1 277 1 2 1 1 32 SER QB . 32 . HB# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.8 1.8 2.8 1 1 2 1 . . . . . 5.0 1.8 6.0 1 1 3 1 . . . . . 5.0 1.8 5.0 1 1 4 1 . . . . . 5.0 1.8 5.0 1 1 5 1 . . . . . 5.0 1.8 6.0 1 1 6 1 . . . . . 2.8 1.8 3.8 1 1 7 1 . . . . . 5.0 1.8 6.0 1 1 8 1 . . . . . 5.0 1.8 6.0 1 1 9 1 . . . . . 3.5 1.8 4.5 1 1 10 1 . . . . . 5.0 1.8 6.0 1 1 11 1 . . . . . 3.5 1.8 5.5 1 1 12 1 . . . . . 5.0 1.8 6.0 1 1 13 1 . . . . . 2.8 1.8 2.8 1 1 14 1 . . . . . 2.8 1.8 3.8 1 1 15 1 . . . . . 3.5 1.8 4.5 1 1 16 1 . . . . . 3.5 1.8 4.5 1 1 17 1 . . . . . 5.0 1.8 5.0 1 1 18 1 . . . . . 2.8 1.8 2.8 1 1 19 1 . . . . . 3.5 1.8 4.5 1 1 20 1 . . . . . 2.8 1.8 3.8 1 1 21 1 . . . . . 5.0 1.8 6.0 1 1 22 1 . . . . . 5.0 1.8 5.0 1 1 23 1 . . . . . 5.0 1.8 7.4 1 1 24 1 . . . . . 2.8 1.8 2.8 1 1 25 1 . . . . . 5.0 1.8 6.0 1 1 26 1 . . . . . 3.5 1.8 3.5 1 1 27 1 . . . . . 5.0 1.8 8.4 1 1 28 1 . . . . . 5.0 1.8 6.0 1 1 29 1 . . . . . 3.5 1.8 5.5 1 1 30 1 . . . . . 5.0 1.8 6.0 1 1 31 1 . . . . . 3.5 1.8 4.5 1 1 32 1 . . . . . 5.0 1.8 6.0 1 1 33 1 . . . . . 5.0 1.8 6.0 1 1 34 1 . . . . . 5.0 1.8 6.0 1 1 35 1 . . . . . 5.0 1.8 6.0 1 1 36 1 . . . . . 3.5 1.8 4.5 1 1 37 1 . . . . . 5.0 1.8 6.0 1 1 38 1 . . . . . 2.8 1.8 2.8 1 1 39 1 . . . . . 5.0 1.8 5.0 1 1 40 1 . . . . . 3.5 1.8 4.5 1 1 41 1 . . . . . 5.0 1.8 6.0 1 1 42 1 . . . . . 5.0 1.8 7.0 1 1 43 1 . . . . . 3.5 1.8 5.5 1 1 44 1 . . . . . 5.0 2.8 7.0 1 1 45 1 . . . . . 5.0 1.8 7.0 1 1 46 1 . . . . . 5.0 1.8 7.0 1 1 47 1 . . . . . 2.8 1.8 2.8 1 1 48 1 . . . . . 2.8 1.8 3.8 1 1 49 1 . . . . . 2.8 1.8 3.8 1 1 50 1 . . . . . 5.0 1.8 5.0 1 1 51 1 . . . . . 5.0 1.8 5.0 1 1 52 1 . . . . . 3.5 1.8 5.9 1 1 53 1 . . . . . 3.5 1.8 5.9 1 1 54 1 . . . . . 5.0 1.8 6.0 1 1 55 1 . . . . . 2.8 1.8 2.8 1 1 56 1 . . . . . 5.0 1.8 5.0 1 1 57 1 . . . . . 3.5 1.8 4.5 1 1 58 1 . . . . . 5.0 1.8 5.0 1 1 59 1 . . . . . 3.5 1.8 6.9 1 1 60 1 . . . . . 3.5 1.8 6.9 1 1 61 1 . . . . . 3.5 1.8 4.5 1 1 62 1 . . . . . 5.0 1.8 5.0 1 1 63 1 . . . . . 3.5 1.8 6.9 1 1 64 1 . . . . . 3.5 1.8 6.9 1 1 65 1 . . . . . 3.5 1.8 4.5 1 1 66 1 . . . . . 2.8 1.8 2.8 1 1 67 1 . . . . . 3.5 1.8 3.5 1 1 68 1 . . . . . 5.0 1.8 5.0 1 1 69 1 . . . . . 3.5 1.8 3.5 1 1 70 1 . . . . . 5.0 1.8 7.4 1 1 71 1 . . . . . 5.0 1.8 6.0 1 1 72 1 . . . . . 5.0 1.8 5.0 1 1 73 1 . . . . . 2.8 1.8 3.8 1 1 74 1 . . . . . 5.0 1.8 5.0 1 1 75 1 . . . . . 3.5 1.8 3.5 1 1 76 1 . . . . . 5.0 1.8 5.0 1 1 77 1 . . . . . 3.5 1.8 3.5 1 1 78 1 . . . . . 3.5 1.8 3.5 1 1 79 1 . . . . . 5.0 1.8 5.0 1 1 80 1 . . . . . 3.5 1.8 4.5 1 1 81 1 . . . . . 5.0 1.8 6.0 1 1 82 1 . . . . . 3.5 1.8 3.5 1 1 83 1 . . . . . 3.5 1.8 4.5 1 1 84 1 . . . . . 5.0 1.8 5.0 1 1 85 1 . . . . . 5.0 1.8 6.0 1 1 86 1 . . . . . 2.8 1.8 3.8 1 1 87 1 . . . . . 3.5 1.8 4.5 1 1 88 1 . . . . . 3.5 1.8 3.5 1 1 89 1 . . . . . 2.8 1.8 3.8 1 1 90 1 . . . . . 5.0 1.8 5.0 1 1 91 1 . . . . . 3.5 1.8 4.5 1 1 92 1 . . . . . 2.8 1.8 3.8 1 1 93 1 . . . . . 3.5 1.8 4.5 1 1 94 1 . . . . . 5.0 1.8 6.0 1 1 95 1 . . . . . 5.0 1.8 5.0 1 1 96 1 . . . . . 3.5 1.8 3.5 1 1 97 1 . . . . . 3.5 1.8 3.5 1 1 98 1 . . . . . 5.0 1.8 5.0 1 1 99 1 . . . . . 2.8 1.8 3.8 1 1 100 1 . . . . . 5.0 1.8 6.0 1 1 101 1 . . . . . 5.0 1.8 5.0 1 1 102 1 . . . . . 3.5 1.8 4.5 1 1 103 1 . . . . . 5.0 1.8 6.0 1 1 104 1 . . . . . 3.5 1.8 3.5 1 1 105 1 . . . . . 5.0 1.8 6.0 1 1 106 1 . . . . . 5.0 1.8 6.0 1 1 107 1 . . . . . 5.0 1.8 7.0 1 1 108 1 . . . . . 5.0 2.8 6.0 1 1 109 1 . . . . . 5.0 1.8 6.0 1 1 110 1 . . . . . 5.0 1.8 6.0 1 1 111 1 . . . . . 5.0 1.8 5.0 1 1 112 1 . . . . . 5.0 1.8 5.0 1 1 113 1 . . . . . 3.5 1.8 3.5 1 1 114 1 . . . . . 2.8 1.8 2.8 1 1 115 1 . . . . . 3.5 1.8 3.5 1 1 116 1 . . . . . 5.0 1.8 6.0 1 1 117 1 . . . . . 5.0 1.8 6.0 1 1 118 1 . . . . . 3.5 1.8 5.5 1 1 119 1 . . . . . 5.0 1.8 5.0 1 1 120 1 . . . . . 5.0 1.8 6.0 1 1 121 1 . . . . . 3.5 1.8 4.5 1 1 122 1 . . . . . 2.8 1.8 3.8 1 1 123 1 . . . . . 3.5 1.8 4.5 1 1 124 1 . . . . . 2.8 1.8 2.8 1 1 125 1 . . . . . 5.0 1.8 5.0 1 1 126 1 . . . . . 5.0 1.8 5.0 1 1 127 1 . . . . . 3.5 1.8 4.5 1 1 128 1 . . . . . 5.0 1.8 5.0 1 1 129 1 . . . . . 5.0 1.8 7.4 1 1 130 1 . . . . . 5.0 1.8 7.4 1 1 131 1 . . . . . 3.5 1.8 3.5 1 1 132 1 . . . . . 5.0 1.8 5.0 1 1 133 1 . . . . . 5.0 1.8 6.0 1 1 134 1 . . . . . 5.0 1.8 6.0 1 1 135 1 . . . . . 3.5 1.8 6.9 1 1 136 1 . . . . . 5.0 1.8 6.0 1 1 137 1 . . . . . 5.0 1.8 6.0 1 1 138 1 . . . . . 5.0 1.8 6.0 1 1 139 1 . . . . . 5.0 1.8 8.4 1 1 140 1 . . . . . 2.8 1.8 3.8 1 1 141 1 . . . . . 3.5 1.8 4.5 1 1 142 1 . . . . . 2.8 1.8 2.8 1 1 143 1 . . . . . 5.0 1.8 5.0 1 1 144 1 . . . . . 5.0 1.8 7.4 1 1 145 1 . . . . . 5.0 1.8 7.4 1 1 146 1 . . . . . 3.5 1.8 4.5 1 1 147 1 . . . . . 5.0 1.8 6.0 1 1 148 1 . . . . . 5.0 1.8 6.0 1 1 149 1 . . . . . 3.5 1.8 4.5 1 1 150 1 . . . . . 2.8 1.8 2.8 1 1 151 1 . . . . . 5.0 1.8 6.0 1 1 152 1 . . . . . 3.5 1.8 3.5 1 1 153 1 . . . . . 5.0 1.8 7.4 1 1 154 1 . . . . . 5.0 1.8 6.0 1 1 155 1 . . . . . 3.5 1.8 4.5 1 1 156 1 . . . . . 5.0 1.8 7.4 1 1 157 1 . . . . . 2.8 1.8 2.8 1 1 158 1 . . . . . 5.0 1.8 6.0 1 1 159 1 . . . . . 5.0 1.8 7.4 1 1 160 1 . . . . . 3.5 1.8 4.5 1 1 161 1 . . . . . 2.8 1.8 2.8 1 1 162 1 . . . . . 3.5 1.8 5.9 1 1 163 1 . . . . . 2.8 1.8 3.8 1 1 164 1 . . . . . 5.0 1.8 7.4 1 1 165 1 . . . . . 3.5 1.8 4.5 1 1 166 1 . . . . . 2.8 1.8 3.8 1 1 167 1 . . . . . 5.0 1.8 5.0 1 1 168 1 . . . . . 5.0 1.8 6.0 1 1 169 1 . . . . . 3.5 1.8 3.5 1 1 170 1 . . . . . 2.8 1.8 3.8 1 1 171 1 . . . . . 5.0 1.8 6.0 1 1 172 1 . . . . . 5.0 1.8 7.0 1 1 173 1 . . . . . 3.5 1.8 4.5 1 1 174 1 . . . . . 5.0 1.8 6.0 1 1 175 1 . . . . . 3.5 1.8 4.5 1 1 176 1 . . . . . 5.0 1.8 5.0 1 1 177 1 . . . . . 5.0 1.8 7.4 1 1 178 1 . . . . . 2.8 1.8 2.8 1 1 179 1 . . . . . 3.5 1.8 4.5 1 1 180 1 . . . . . 5.0 1.8 8.4 1 1 181 1 . . . . . 5.0 1.8 8.4 1 1 182 1 . . . . . 2.8 1.8 3.8 1 1 183 1 . . . . . 3.5 1.8 4.5 1 1 184 1 . . . . . 3.5 1.8 4.5 1 1 185 1 . . . . . 5.0 1.8 5.0 1 1 186 1 . . . . . 3.5 1.8 4.5 1 1 187 1 . . . . . 5.0 1.8 5.0 1 1 188 1 . . . . . 3.5 1.8 3.5 1 1 189 1 . . . . . 5.0 1.8 6.0 1 1 190 1 . . . . . 5.0 1.8 6.0 1 1 191 1 . . . . . 3.5 1.8 5.9 1 1 192 1 . . . . . 3.5 1.8 4.5 1 1 193 1 . . . . . 5.0 1.8 8.4 1 1 194 1 . . . . . 3.5 1.8 6.9 1 1 195 1 . . . . . 5.0 1.8 6.0 1 1 196 1 . . . . . 5.0 1.8 8.4 1 1 197 1 . . . . . 5.0 1.8 7.4 1 1 198 1 . . . . . 2.8 1.8 3.8 1 1 199 1 . . . . . 2.8 1.8 5.2 1 1 200 1 . . . . . 5.0 1.8 5.0 1 1 201 1 . . . . . 3.5 0.3 5.9 1 1 202 1 . . . . . 5.0 1.8 7.4 1 1 203 1 . . . . . 3.5 1.8 3.5 1 1 204 1 . . . . . 2.8 1.8 5.2 1 1 205 1 . . . . . 3.5 1.8 3.5 1 1 206 1 . . . . . 5.0 1.8 6.0 1 1 207 1 . . . . . 5.0 1.8 6.0 1 1 208 1 . . . . . 3.5 1.8 5.9 1 1 209 1 . . . . . 5.0 1.8 7.4 1 1 210 1 . . . . . 5.0 1.8 8.4 1 1 211 1 . . . . . 5.0 1.8 7.4 1 1 212 1 . . . . . 5.0 1.8 7.4 1 1 213 1 . . . . . 5.0 1.8 5.0 1 1 214 1 . . . . . 3.5 1.8 3.5 1 1 215 1 . . . . . 2.8 1.8 2.8 1 1 216 1 . . . . . 2.8 1.8 2.8 1 1 217 1 . . . . . 5.0 1.8 6.0 1 1 218 1 . . . . . 2.8 1.8 3.8 1 1 219 1 . . . . . 3.5 1.8 3.5 1 1 220 1 . . . . . 5.0 1.8 6.0 1 1 221 1 . . . . . 5.0 1.8 6.0 1 1 222 1 . . . . . 3.5 1.8 4.5 1 1 223 1 . . . . . 2.8 1.8 2.8 1 1 224 1 . . . . . 5.0 1.8 6.0 1 1 225 1 . . . . . 3.5 1.8 3.5 1 1 226 1 . . . . . 5.0 1.8 6.0 1 1 227 1 . . . . . 3.5 1.8 4.5 1 1 228 1 . . . . . 3.5 1.8 3.5 1 1 229 1 . . . . . 5.0 1.8 6.0 1 1 230 1 . . . . . 5.0 1.8 7.0 1 1 231 1 . . . . . 3.5 1.8 4.5 1 1 232 1 . . . . . 3.5 1.8 4.5 1 1 233 1 . . . . . 5.0 1.8 5.0 1 1 234 1 . . . . . 5.0 1.8 5.0 1 1 235 1 . . . . . 5.0 1.8 5.0 1 1 236 1 . . . . . 3.5 1.8 3.5 1 1 237 1 . . . . . 5.0 1.8 6.0 1 1 238 1 . . . . . 5.0 1.8 6.0 1 1 239 1 . . . . . 2.8 1.8 3.8 1 1 240 1 . . . . . 5.0 1.8 6.0 1 1 241 1 . . . . . 5.0 2.8 6.0 1 1 242 1 . . . . . 3.5 1.8 4.5 1 1 243 1 . . . . . 2.8 1.8 2.8 1 1 244 1 . . . . . 5.0 1.8 6.0 1 1 245 1 . . . . . 5.0 1.8 7.4 1 1 246 1 . . . . . 5.0 1.8 7.4 1 1 247 1 . . . . . 5.0 1.8 5.0 1 1 248 1 . . . . . 5.0 1.8 5.0 1 1 249 1 . . . . . 3.5 1.8 4.5 1 1 250 1 . . . . . 5.0 1.8 6.0 1 1 251 1 . . . . . 2.8 1.8 6.2 1 1 252 1 . . . . . 2.8 1.8 3.8 1 1 253 1 . . . . . 3.5 1.8 5.9 1 1 254 1 . . . . . 2.8 1.8 2.8 1 1 255 1 . . . . . 3.5 1.8 5.9 1 1 256 1 . . . . . 3.5 1.8 3.5 1 1 257 1 . . . . . 2.8 1.8 5.2 1 1 258 1 . . . . . 2.8 1.8 3.8 1 1 259 1 . . . . . 5.0 1.8 7.4 1 1 260 1 . . . . . 3.5 1.8 3.5 1 1 261 1 . . . . . 5.0 1.8 7.4 1 1 262 1 . . . . . 5.0 1.8 5.0 1 1 263 1 . . . . . 2.8 1.8 5.2 1 1 264 1 . . . . . 5.0 1.8 6.0 1 1 265 1 . . . . . 5.0 1.8 7.4 1 1 266 1 . . . . . 2.8 1.8 3.8 1 1 267 1 . . . . . 2.8 1.8 3.8 1 1 268 1 . . . . . 5.0 1.8 5.0 1 1 269 1 . . . . . 2.8 1.8 2.8 1 1 270 1 . . . . . 2.8 1.8 3.8 1 1 271 1 . . . . . 2.8 1.8 3.8 1 1 272 1 . . . . . 5.0 1.8 5.0 1 1 273 1 . . . . . 3.5 1.8 3.5 1 1 274 1 . . . . . 5.0 1.8 5.0 1 1 275 1 . . . . . 5.0 1.8 6.0 1 1 276 1 . . . . . 3.5 1.8 4.5 1 1 277 1 . . . . . 3.5 1.8 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 1.809 4.922 5.428 1.00 . A A . 1 CYS C 1 1 1 2 1 1 1 CYS CA C 2.352 4.095 6.602 1.00 . A A . 1 CYS CA 1 1 1 3 1 1 1 CYS CB C 1.210 3.662 7.531 1.00 . A A . 1 CYS CB 1 1 1 4 1 1 1 CYS H1 H 4.009 5.325 6.868 1.00 . A A . 1 CYS H1 1 1 1 5 1 1 1 CYS H2 H 2.724 5.683 7.893 1.00 . A A . 1 CYS H2 1 1 1 6 1 1 1 CYS H3 H 3.112 6.219 5.393 1.00 . A A . 1 CYS H3 1 1 1 7 1 1 1 CYS HA H 2.873 3.225 6.236 1.00 . A A . 1 CYS HA 1 1 1 8 1 1 1 CYS HB2 H 0.725 2.792 7.114 1.00 . A A . 1 CYS HB2 1 1 1 9 1 1 1 CYS HB3 H 1.612 3.415 8.503 1.00 . A A . 1 CYS HB3 1 1 1 10 1 1 1 CYS N N 3.262 4.923 7.453 1.00 . A A . 1 CYS N 1 1 1 11 1 1 1 CYS O O 2.093 6.099 5.300 1.00 . A A . 1 CYS O 1 1 1 12 1 1 1 CYS SG S 0.005 5.013 7.693 1.00 . A A . 1 CYS SG 1 1 1 13 1 1 2 ILE C C -1.015 5.413 3.699 1.00 . A A . 2 ILE C 1 1 1 14 1 1 2 ILE CA C 0.448 5.056 3.414 1.00 . A A . 2 ILE CA 1 1 1 15 1 1 2 ILE CB C 0.547 4.087 2.230 1.00 . A A . 2 ILE CB 1 1 1 16 1 1 2 ILE CD1 C 2.455 2.629 1.544 1.00 . A A . 2 ILE CD1 1 1 1 17 1 1 2 ILE CG1 C 1.984 4.074 1.700 1.00 . A A . 2 ILE CG1 1 1 1 18 1 1 2 ILE CG2 C -0.403 4.524 1.108 1.00 . A A . 2 ILE CG2 1 1 1 19 1 1 2 ILE H H 0.805 3.365 4.705 1.00 . A A . 2 ILE H 1 1 1 20 1 1 2 ILE HA H 1.024 5.945 3.213 1.00 . A A . 2 ILE HA 1 1 1 21 1 1 2 ILE HB H 0.275 3.096 2.559 1.00 . A A . 2 ILE HB 1 1 1 22 1 1 2 ILE HD11 H 2.566 2.180 2.519 1.00 . A A . 2 ILE HD11 1 1 1 23 1 1 2 ILE HD12 H 1.728 2.073 0.972 1.00 . A A . 2 ILE HD12 1 1 1 24 1 1 2 ILE HD13 H 3.406 2.613 1.031 1.00 . A A . 2 ILE HD13 1 1 1 25 1 1 2 ILE HG12 H 2.019 4.571 0.741 1.00 . A A . 2 ILE HG12 1 1 1 26 1 1 2 ILE HG13 H 2.630 4.588 2.395 1.00 . A A . 2 ILE HG13 1 1 1 27 1 1 2 ILE HG21 H -0.383 5.600 1.017 1.00 . A A . 2 ILE HG21 1 1 1 28 1 1 2 ILE HG22 H -0.090 4.079 0.176 1.00 . A A . 2 ILE HG22 1 1 1 29 1 1 2 ILE HG23 H -1.408 4.201 1.342 1.00 . A A . 2 ILE HG23 1 1 1 30 1 1 2 ILE N N 1.023 4.312 4.577 1.00 . A A . 2 ILE N 1 1 1 31 1 1 2 ILE O O -1.750 4.610 4.246 1.00 . A A . 2 ILE O 1 1 1 32 1 1 3 PRO C C -3.744 6.279 2.597 1.00 . A A . 3 PRO C 1 1 1 33 1 1 3 PRO CA C -2.794 7.059 3.512 1.00 . A A . 3 PRO CA 1 1 1 34 1 1 3 PRO CB C -2.752 8.538 3.129 1.00 . A A . 3 PRO CB 1 1 1 35 1 1 3 PRO CD C -0.580 7.627 2.636 1.00 . A A . 3 PRO CD 1 1 1 36 1 1 3 PRO CG C -1.584 8.663 2.206 1.00 . A A . 3 PRO CG 1 1 1 37 1 1 3 PRO HA H -3.082 6.951 4.545 1.00 . A A . 3 PRO HA 1 1 1 38 1 1 3 PRO HB2 H -3.666 8.820 2.624 1.00 . A A . 3 PRO HB2 1 1 1 39 1 1 3 PRO HB3 H -2.600 9.151 4.003 1.00 . A A . 3 PRO HB3 1 1 1 40 1 1 3 PRO HD2 H -0.076 7.211 1.775 1.00 . A A . 3 PRO HD2 1 1 1 41 1 1 3 PRO HD3 H 0.131 8.048 3.330 1.00 . A A . 3 PRO HD3 1 1 1 42 1 1 3 PRO HG2 H -1.897 8.479 1.188 1.00 . A A . 3 PRO HG2 1 1 1 43 1 1 3 PRO HG3 H -1.150 9.648 2.288 1.00 . A A . 3 PRO HG3 1 1 1 44 1 1 3 PRO N N -1.397 6.604 3.305 1.00 . A A . 3 PRO N 1 1 1 45 1 1 3 PRO O O -3.440 6.022 1.450 1.00 . A A . 3 PRO O 1 1 1 46 1 1 4 LYS C C -6.079 5.750 0.904 1.00 . A A . 4 LYS C 1 1 1 47 1 1 4 LYS CA C -5.874 5.120 2.292 1.00 . A A . 4 LYS CA 1 1 1 48 1 1 4 LYS CB C -7.174 5.188 3.096 1.00 . A A . 4 LYS CB 1 1 1 49 1 1 4 LYS CD C -9.330 3.985 3.425 1.00 . A A . 4 LYS CD 1 1 1 50 1 1 4 LYS CE C -9.997 2.608 3.513 1.00 . A A . 4 LYS CE 1 1 1 51 1 1 4 LYS CG C -7.848 3.822 3.084 1.00 . A A . 4 LYS CG 1 1 1 52 1 1 4 LYS H H -5.094 6.103 4.042 1.00 . A A . 4 LYS H 1 1 1 53 1 1 4 LYS HA H -5.560 4.092 2.196 1.00 . A A . 4 LYS HA 1 1 1 54 1 1 4 LYS HB2 H -6.955 5.472 4.116 1.00 . A A . 4 LYS HB2 1 1 1 55 1 1 4 LYS HB3 H -7.834 5.917 2.652 1.00 . A A . 4 LYS HB3 1 1 1 56 1 1 4 LYS HD2 H -9.425 4.493 4.374 1.00 . A A . 4 LYS HD2 1 1 1 57 1 1 4 LYS HD3 H -9.813 4.569 2.656 1.00 . A A . 4 LYS HD3 1 1 1 58 1 1 4 LYS HE2 H -9.275 1.828 3.315 1.00 . A A . 4 LYS HE2 1 1 1 59 1 1 4 LYS HE3 H -10.444 2.470 4.485 1.00 . A A . 4 LYS HE3 1 1 1 60 1 1 4 LYS HG2 H -7.746 3.382 2.104 1.00 . A A . 4 LYS HG2 1 1 1 61 1 1 4 LYS HG3 H -7.377 3.186 3.817 1.00 . A A . 4 LYS HG3 1 1 1 62 1 1 4 LYS HZ1 H -10.711 2.134 1.622 1.00 . A A . 4 LYS HZ1 1 1 1 63 1 1 4 LYS HZ3 H -11.293 3.592 2.223 1.00 . A A . 4 LYS HZ3 1 1 1 64 1 1 4 LYS N N -4.886 5.893 3.108 1.00 . A A . 4 LYS N 1 1 1 65 1 1 4 LYS NZ N -11.056 2.619 2.462 1.00 . A A . 4 LYS NZ 1 1 1 66 1 1 4 LYS O O -5.912 6.942 0.721 1.00 . A A . 4 LYS O 1 1 1 67 1 1 5 TRP C C -5.435 6.020 -2.109 1.00 . A A . 5 TRP C 1 1 1 68 1 1 5 TRP CA C -6.703 5.433 -1.460 1.00 . A A . 5 TRP CA 1 1 1 69 1 1 5 TRP CB C -7.808 6.485 -1.330 1.00 . A A . 5 TRP CB 1 1 1 70 1 1 5 TRP CD1 C -9.682 5.158 -0.275 1.00 . A A . 5 TRP CD1 1 1 1 71 1 1 5 TRP CD2 C -10.055 5.608 -2.444 1.00 . A A . 5 TRP CD2 1 1 1 72 1 1 5 TRP CE2 C -11.171 4.870 -1.986 1.00 . A A . 5 TRP CE2 1 1 1 73 1 1 5 TRP CE3 C -10.035 6.019 -3.785 1.00 . A A . 5 TRP CE3 1 1 1 74 1 1 5 TRP CG C -9.129 5.784 -1.337 1.00 . A A . 5 TRP CG 1 1 1 75 1 1 5 TRP CH2 C -12.197 4.966 -4.167 1.00 . A A . 5 TRP CH2 1 1 1 76 1 1 5 TRP CZ2 C -12.232 4.549 -2.833 1.00 . A A . 5 TRP CZ2 1 1 1 77 1 1 5 TRP CZ3 C -11.100 5.699 -4.643 1.00 . A A . 5 TRP CZ3 1 1 1 78 1 1 5 TRP H H -6.584 3.991 0.136 1.00 . A A . 5 TRP H 1 1 1 79 1 1 5 TRP HA H -7.071 4.620 -2.065 1.00 . A A . 5 TRP HA 1 1 1 80 1 1 5 TRP HB2 H -7.691 7.029 -0.405 1.00 . A A . 5 TRP HB2 1 1 1 81 1 1 5 TRP HB3 H -7.758 7.169 -2.163 1.00 . A A . 5 TRP HB3 1 1 1 82 1 1 5 TRP HD1 H -9.245 5.092 0.709 1.00 . A A . 5 TRP HD1 1 1 1 83 1 1 5 TRP HE1 H -11.501 4.117 -0.072 1.00 . A A . 5 TRP HE1 1 1 1 84 1 1 5 TRP HE3 H -9.192 6.581 -4.159 1.00 . A A . 5 TRP HE3 1 1 1 85 1 1 5 TRP HH2 H -13.013 4.722 -4.831 1.00 . A A . 5 TRP HH2 1 1 1 86 1 1 5 TRP HZ2 H -13.074 3.983 -2.462 1.00 . A A . 5 TRP HZ2 1 1 1 87 1 1 5 TRP HZ3 H -11.075 6.020 -5.673 1.00 . A A . 5 TRP HZ3 1 1 1 88 1 1 5 TRP N N -6.454 4.941 -0.062 1.00 . A A . 5 TRP N 1 1 1 89 1 1 5 TRP NE1 N -10.896 4.618 -0.657 1.00 . A A . 5 TRP NE1 1 1 1 90 1 1 5 TRP O O -5.517 6.845 -3.000 1.00 . A A . 5 TRP O 1 1 1 91 1 1 6 ASN C C -2.135 4.920 -2.783 1.00 . A A . 6 ASN C 1 1 1 92 1 1 6 ASN CA C -3.003 6.095 -2.315 1.00 . A A . 6 ASN CA 1 1 1 93 1 1 6 ASN CB C -2.287 6.878 -1.211 1.00 . A A . 6 ASN CB 1 1 1 94 1 1 6 ASN CG C -2.854 8.298 -1.130 1.00 . A A . 6 ASN CG 1 1 1 95 1 1 6 ASN H H -4.222 4.900 -0.991 1.00 . A A . 6 ASN H 1 1 1 96 1 1 6 ASN HA H -3.228 6.747 -3.144 1.00 . A A . 6 ASN HA 1 1 1 97 1 1 6 ASN HB2 H -2.427 6.378 -0.268 1.00 . A A . 6 ASN HB2 1 1 1 98 1 1 6 ASN HB3 H -1.232 6.928 -1.435 1.00 . A A . 6 ASN HB3 1 1 1 99 1 1 6 ASN HD21 H -4.255 7.821 0.195 1.00 . A A . 6 ASN HD21 1 1 1 100 1 1 6 ASN HD22 H -4.232 9.449 -0.283 1.00 . A A . 6 ASN HD22 1 1 1 101 1 1 6 ASN N N -4.268 5.581 -1.695 1.00 . A A . 6 ASN N 1 1 1 102 1 1 6 ASN ND2 N -3.865 8.543 -0.341 1.00 . A A . 6 ASN ND2 1 1 1 103 1 1 6 ASN O O -2.415 3.773 -2.485 1.00 . A A . 6 ASN O 1 1 1 104 1 1 6 ASN OD1 O -2.370 9.195 -1.791 1.00 . A A . 6 ASN OD1 1 1 1 105 1 1 7 ARG C C 0.559 3.454 -2.827 1.00 . A A . 7 ARG C 1 1 1 106 1 1 7 ARG CA C -0.196 4.093 -4.001 1.00 . A A . 7 ARG CA 1 1 1 107 1 1 7 ARG CB C 0.774 4.752 -4.995 1.00 . A A . 7 ARG CB 1 1 1 108 1 1 7 ARG CD C 2.477 6.565 -5.286 1.00 . A A . 7 ARG CD 1 1 1 109 1 1 7 ARG CG C 1.735 5.699 -4.262 1.00 . A A . 7 ARG CG 1 1 1 110 1 1 7 ARG CZ C 4.581 7.682 -4.817 1.00 . A A . 7 ARG CZ 1 1 1 111 1 1 7 ARG H H -0.877 6.128 -3.741 1.00 . A A . 7 ARG H 1 1 1 112 1 1 7 ARG HA H -0.784 3.346 -4.510 1.00 . A A . 7 ARG HA 1 1 1 113 1 1 7 ARG HB2 H 1.344 3.986 -5.498 1.00 . A A . 7 ARG HB2 1 1 1 114 1 1 7 ARG HB3 H 0.209 5.313 -5.724 1.00 . A A . 7 ARG HB3 1 1 1 115 1 1 7 ARG HD2 H 2.391 6.134 -6.274 1.00 . A A . 7 ARG HD2 1 1 1 116 1 1 7 ARG HD3 H 2.087 7.572 -5.280 1.00 . A A . 7 ARG HD3 1 1 1 117 1 1 7 ARG HG2 H 1.174 6.334 -3.592 1.00 . A A . 7 ARG HG2 1 1 1 118 1 1 7 ARG HG3 H 2.450 5.120 -3.697 1.00 . A A . 7 ARG HG3 1 1 1 119 1 1 7 ARG HH11 H 4.738 7.812 -6.812 1.00 . A A . 7 ARG HH11 1 1 1 120 1 1 7 ARG HH12 H 5.484 9.094 -5.918 1.00 . A A . 7 ARG HH12 1 1 1 121 1 1 7 ARG HH21 H 4.593 7.809 -2.816 1.00 . A A . 7 ARG HH21 1 1 1 122 1 1 7 ARG HH22 H 5.402 9.092 -3.652 1.00 . A A . 7 ARG HH22 1 1 1 123 1 1 7 ARG N N -1.083 5.196 -3.514 1.00 . A A . 7 ARG N 1 1 1 124 1 1 7 ARG NE N 3.901 6.565 -4.841 1.00 . A A . 7 ARG NE 1 1 1 125 1 1 7 ARG NH1 N 4.965 8.240 -5.936 1.00 . A A . 7 ARG NH1 1 1 1 126 1 1 7 ARG NH2 N 4.882 8.238 -3.672 1.00 . A A . 7 ARG NH2 1 1 1 127 1 1 7 ARG O O 1.050 4.136 -1.946 1.00 . A A . 7 ARG O 1 1 1 128 1 1 8 CYS C C 2.370 0.436 -2.243 1.00 . A A . 8 CYS C 1 1 1 129 1 1 8 CYS CA C 1.364 1.454 -1.690 1.00 . A A . 8 CYS CA 1 1 1 130 1 1 8 CYS CB C 0.270 0.750 -0.877 1.00 . A A . 8 CYS CB 1 1 1 131 1 1 8 CYS H H 0.240 1.617 -3.526 1.00 . A A . 8 CYS H 1 1 1 132 1 1 8 CYS HA H 1.870 2.175 -1.070 1.00 . A A . 8 CYS HA 1 1 1 133 1 1 8 CYS HB2 H 0.726 0.181 -0.080 1.00 . A A . 8 CYS HB2 1 1 1 134 1 1 8 CYS HB3 H -0.393 1.490 -0.454 1.00 . A A . 8 CYS HB3 1 1 1 135 1 1 8 CYS N N 0.648 2.145 -2.807 1.00 . A A . 8 CYS N 1 1 1 136 1 1 8 CYS O O 2.132 -0.206 -3.250 1.00 . A A . 8 CYS O 1 1 1 137 1 1 8 CYS SG S -0.676 -0.367 -1.945 1.00 . A A . 8 CYS SG 1 1 1 138 1 1 9 GLY C C 5.444 -1.058 -0.889 1.00 . A A . 9 GLY C 1 1 1 139 1 1 9 GLY CA C 4.525 -0.681 -2.058 1.00 . A A . 9 GLY CA 1 1 1 140 1 1 9 GLY H H 3.658 0.821 -0.778 1.00 . A A . 9 GLY H 1 1 1 141 1 1 9 GLY HA2 H 4.038 -1.568 -2.438 1.00 . A A . 9 GLY HA2 1 1 1 142 1 1 9 GLY HA3 H 5.113 -0.228 -2.841 1.00 . A A . 9 GLY HA3 1 1 1 143 1 1 9 GLY N N 3.493 0.290 -1.586 1.00 . A A . 9 GLY N 1 1 1 144 1 1 9 GLY O O 6.531 -0.529 -0.767 1.00 . A A . 9 GLY O 1 1 1 145 1 1 10 PRO C C 6.946 -3.299 0.694 1.00 . A A . 10 PRO C 1 1 1 146 1 1 10 PRO CA C 5.763 -2.415 1.118 1.00 . A A . 10 PRO CA 1 1 1 147 1 1 10 PRO CB C 4.756 -3.215 1.939 1.00 . A A . 10 PRO CB 1 1 1 148 1 1 10 PRO CD C 3.673 -2.644 -0.143 1.00 . A A . 10 PRO CD 1 1 1 149 1 1 10 PRO CG C 3.730 -3.676 0.954 1.00 . A A . 10 PRO CG 1 1 1 150 1 1 10 PRO HA H 6.109 -1.567 1.686 1.00 . A A . 10 PRO HA 1 1 1 151 1 1 10 PRO HB2 H 5.241 -4.063 2.405 1.00 . A A . 10 PRO HB2 1 1 1 152 1 1 10 PRO HB3 H 4.296 -2.587 2.684 1.00 . A A . 10 PRO HB3 1 1 1 153 1 1 10 PRO HD2 H 3.552 -3.123 -1.105 1.00 . A A . 10 PRO HD2 1 1 1 154 1 1 10 PRO HD3 H 2.874 -1.943 0.037 1.00 . A A . 10 PRO HD3 1 1 1 155 1 1 10 PRO HG2 H 4.017 -4.635 0.547 1.00 . A A . 10 PRO HG2 1 1 1 156 1 1 10 PRO HG3 H 2.765 -3.751 1.432 1.00 . A A . 10 PRO HG3 1 1 1 157 1 1 10 PRO N N 4.972 -1.963 -0.062 1.00 . A A . 10 PRO N 1 1 1 158 1 1 10 PRO O O 7.955 -3.356 1.371 1.00 . A A . 10 PRO O 1 1 1 159 1 1 11 LYS C C 9.064 -4.022 -1.535 1.00 . A A . 11 LYS C 1 1 1 160 1 1 11 LYS CA C 7.956 -4.861 -0.874 1.00 . A A . 11 LYS CA 1 1 1 161 1 1 11 LYS CB C 7.320 -5.816 -1.891 1.00 . A A . 11 LYS CB 1 1 1 162 1 1 11 LYS CD C 8.525 -7.814 -0.967 1.00 . A A . 11 LYS CD 1 1 1 163 1 1 11 LYS CE C 8.736 -9.276 -1.376 1.00 . A A . 11 LYS CE 1 1 1 164 1 1 11 LYS CG C 8.289 -6.958 -2.217 1.00 . A A . 11 LYS CG 1 1 1 165 1 1 11 LYS H H 6.011 -3.929 -0.945 1.00 . A A . 11 LYS H 1 1 1 166 1 1 11 LYS HA H 8.356 -5.423 -0.044 1.00 . A A . 11 LYS HA 1 1 1 167 1 1 11 LYS HB2 H 6.409 -6.226 -1.478 1.00 . A A . 11 LYS HB2 1 1 1 168 1 1 11 LYS HB3 H 7.091 -5.274 -2.795 1.00 . A A . 11 LYS HB3 1 1 1 169 1 1 11 LYS HD2 H 9.402 -7.455 -0.447 1.00 . A A . 11 LYS HD2 1 1 1 170 1 1 11 LYS HD3 H 7.667 -7.744 -0.315 1.00 . A A . 11 LYS HD3 1 1 1 171 1 1 11 LYS HE2 H 8.528 -9.404 -2.430 1.00 . A A . 11 LYS HE2 1 1 1 172 1 1 11 LYS HE3 H 9.744 -9.588 -1.151 1.00 . A A . 11 LYS HE3 1 1 1 173 1 1 11 LYS HG2 H 7.866 -7.572 -2.999 1.00 . A A . 11 LYS HG2 1 1 1 174 1 1 11 LYS HG3 H 9.229 -6.547 -2.551 1.00 . A A . 11 LYS HG3 1 1 1 175 1 1 11 LYS HZ1 H 7.332 -10.786 -1.137 1.00 . A A . 11 LYS HZ1 1 1 1 176 1 1 11 LYS HZ3 H 7.034 -9.424 -0.197 1.00 . A A . 11 LYS HZ3 1 1 1 177 1 1 11 LYS N N 6.833 -3.987 -0.415 1.00 . A A . 11 LYS N 1 1 1 178 1 1 11 LYS NZ N 7.765 -10.055 -0.555 1.00 . A A . 11 LYS NZ 1 1 1 179 1 1 11 LYS O O 10.201 -4.448 -1.619 1.00 . A A . 11 LYS O 1 1 1 180 1 1 12 MET C C 10.240 -0.846 -1.741 1.00 . A A . 12 MET C 1 1 1 181 1 1 12 MET CA C 9.778 -1.982 -2.669 1.00 . A A . 12 MET CA 1 1 1 182 1 1 12 MET CB C 9.081 -1.409 -3.909 1.00 . A A . 12 MET CB 1 1 1 183 1 1 12 MET CE C 8.604 0.629 -6.525 1.00 . A A . 12 MET CE 1 1 1 184 1 1 12 MET CG C 10.132 -0.946 -4.922 1.00 . A A . 12 MET CG 1 1 1 185 1 1 12 MET H H 7.820 -2.517 -1.935 1.00 . A A . 12 MET H 1 1 1 186 1 1 12 MET HA H 10.621 -2.581 -2.973 1.00 . A A . 12 MET HA 1 1 1 187 1 1 12 MET HB2 H 8.462 -2.173 -4.358 1.00 . A A . 12 MET HB2 1 1 1 188 1 1 12 MET HB3 H 8.466 -0.569 -3.622 1.00 . A A . 12 MET HB3 1 1 1 189 1 1 12 MET HE1 H 8.962 1.012 -7.471 1.00 . A A . 12 MET HE1 1 1 1 190 1 1 12 MET HE2 H 8.349 -0.417 -6.626 1.00 . A A . 12 MET HE2 1 1 1 191 1 1 12 MET HE3 H 7.730 1.183 -6.224 1.00 . A A . 12 MET HE3 1 1 1 192 1 1 12 MET HG2 H 11.119 -1.103 -4.514 1.00 . A A . 12 MET HG2 1 1 1 193 1 1 12 MET HG3 H 10.025 -1.513 -5.835 1.00 . A A . 12 MET HG3 1 1 1 194 1 1 12 MET N N 8.743 -2.839 -2.008 1.00 . A A . 12 MET N 1 1 1 195 1 1 12 MET O O 11.365 -0.389 -1.834 1.00 . A A . 12 MET O 1 1 1 196 1 1 12 MET SD S 9.899 0.814 -5.274 1.00 . A A . 12 MET SD 1 1 1 197 1 1 13 ASP C C 9.873 0.250 1.519 1.00 . A A . 13 ASP C 1 1 1 198 1 1 13 ASP CA C 9.794 0.735 0.063 1.00 . A A . 13 ASP CA 1 1 1 199 1 1 13 ASP CB C 8.696 1.796 -0.088 1.00 . A A . 13 ASP CB 1 1 1 200 1 1 13 ASP CG C 8.594 2.240 -1.553 1.00 . A A . 13 ASP CG 1 1 1 201 1 1 13 ASP H H 8.484 -0.753 -0.796 1.00 . A A . 13 ASP H 1 1 1 202 1 1 13 ASP HA H 10.742 1.148 -0.244 1.00 . A A . 13 ASP HA 1 1 1 203 1 1 13 ASP HB2 H 7.751 1.382 0.229 1.00 . A A . 13 ASP HB2 1 1 1 204 1 1 13 ASP HB3 H 8.938 2.650 0.527 1.00 . A A . 13 ASP HB3 1 1 1 205 1 1 13 ASP N N 9.390 -0.379 -0.855 1.00 . A A . 13 ASP N 1 1 1 206 1 1 13 ASP O O 10.465 0.899 2.360 1.00 . A A . 13 ASP O 1 1 1 207 1 1 13 ASP OD1 O 9.337 3.130 -1.936 1.00 . A A . 13 ASP OD1 1 1 1 208 1 1 13 ASP OD2 O 7.773 1.685 -2.265 1.00 . A A . 13 ASP OD2 1 1 1 209 1 1 14 GLY C C 8.201 -0.744 4.065 1.00 . A A . 14 GLY C 1 1 1 210 1 1 14 GLY CA C 9.312 -1.397 3.227 1.00 . A A . 14 GLY CA 1 1 1 211 1 1 14 GLY H H 8.799 -1.383 1.137 1.00 . A A . 14 GLY H 1 1 1 212 1 1 14 GLY HA2 H 9.168 -2.468 3.213 1.00 . A A . 14 GLY HA2 1 1 1 213 1 1 14 GLY HA3 H 10.270 -1.169 3.670 1.00 . A A . 14 GLY HA3 1 1 1 214 1 1 14 GLY N N 9.276 -0.878 1.826 1.00 . A A . 14 GLY N 1 1 1 215 1 1 14 GLY O O 8.164 -0.896 5.273 1.00 . A A . 14 GLY O 1 1 1 216 1 1 15 VAL C C 4.838 0.316 3.550 1.00 . A A . 15 VAL C 1 1 1 217 1 1 15 VAL CA C 6.191 0.631 4.208 1.00 . A A . 15 VAL CA 1 1 1 218 1 1 15 VAL CB C 6.491 2.137 4.151 1.00 . A A . 15 VAL CB 1 1 1 219 1 1 15 VAL CG1 C 5.287 2.923 4.687 1.00 . A A . 15 VAL CG1 1 1 1 220 1 1 15 VAL CG2 C 7.721 2.451 5.012 1.00 . A A . 15 VAL CG2 1 1 1 221 1 1 15 VAL H H 7.339 0.084 2.466 1.00 . A A . 15 VAL H 1 1 1 222 1 1 15 VAL HA H 6.197 0.295 5.233 1.00 . A A . 15 VAL HA 1 1 1 223 1 1 15 VAL HB H 6.682 2.427 3.127 1.00 . A A . 15 VAL HB 1 1 1 224 1 1 15 VAL HG11 H 4.948 2.477 5.610 1.00 . A A . 15 VAL HG11 1 1 1 225 1 1 15 VAL HG12 H 5.576 3.948 4.866 1.00 . A A . 15 VAL HG12 1 1 1 226 1 1 15 VAL HG13 H 4.488 2.897 3.960 1.00 . A A . 15 VAL HG13 1 1 1 227 1 1 15 VAL HG21 H 7.491 3.264 5.687 1.00 . A A . 15 VAL HG21 1 1 1 228 1 1 15 VAL HG22 H 7.996 1.577 5.584 1.00 . A A . 15 VAL HG22 1 1 1 229 1 1 15 VAL HG23 H 8.544 2.737 4.374 1.00 . A A . 15 VAL HG23 1 1 1 230 1 1 15 VAL N N 7.295 -0.024 3.440 1.00 . A A . 15 VAL N 1 1 1 231 1 1 15 VAL O O 4.503 0.878 2.525 1.00 . A A . 15 VAL O 1 1 1 232 1 1 16 PRO C C 1.725 0.100 4.014 1.00 . A A . 16 PRO C 1 1 1 233 1 1 16 PRO CA C 2.765 -0.967 3.650 1.00 . A A . 16 PRO CA 1 1 1 234 1 1 16 PRO CB C 2.461 -2.260 4.401 1.00 . A A . 16 PRO CB 1 1 1 235 1 1 16 PRO CD C 4.446 -1.297 5.402 1.00 . A A . 16 PRO CD 1 1 1 236 1 1 16 PRO CG C 3.248 -2.169 5.671 1.00 . A A . 16 PRO CG 1 1 1 237 1 1 16 PRO HA H 2.794 -1.144 2.588 1.00 . A A . 16 PRO HA 1 1 1 238 1 1 16 PRO HB2 H 1.403 -2.329 4.615 1.00 . A A . 16 PRO HB2 1 1 1 239 1 1 16 PRO HB3 H 2.784 -3.115 3.826 1.00 . A A . 16 PRO HB3 1 1 1 240 1 1 16 PRO HD2 H 4.599 -0.606 6.220 1.00 . A A . 16 PRO HD2 1 1 1 241 1 1 16 PRO HD3 H 5.327 -1.900 5.244 1.00 . A A . 16 PRO HD3 1 1 1 242 1 1 16 PRO HG2 H 2.638 -1.725 6.448 1.00 . A A . 16 PRO HG2 1 1 1 243 1 1 16 PRO HG3 H 3.574 -3.150 5.976 1.00 . A A . 16 PRO HG3 1 1 1 244 1 1 16 PRO N N 4.102 -0.574 4.172 1.00 . A A . 16 PRO N 1 1 1 245 1 1 16 PRO O O 2.037 1.080 4.665 1.00 . A A . 16 PRO O 1 1 1 246 1 1 17 CYS C C -0.740 0.895 5.522 1.00 . A A . 17 CYS C 1 1 1 247 1 1 17 CYS CA C -0.564 0.901 4.002 1.00 . A A . 17 CYS CA 1 1 1 248 1 1 17 CYS CB C -1.846 0.439 3.307 1.00 . A A . 17 CYS CB 1 1 1 249 1 1 17 CYS H H 0.243 -0.902 3.128 1.00 . A A . 17 CYS H 1 1 1 250 1 1 17 CYS HA H -0.290 1.883 3.661 1.00 . A A . 17 CYS HA 1 1 1 251 1 1 17 CYS HB2 H -1.597 -0.056 2.381 1.00 . A A . 17 CYS HB2 1 1 1 252 1 1 17 CYS HB3 H -2.379 -0.246 3.951 1.00 . A A . 17 CYS HB3 1 1 1 253 1 1 17 CYS N N 0.484 -0.095 3.631 1.00 . A A . 17 CYS N 1 1 1 254 1 1 17 CYS O O -0.284 -0.011 6.197 1.00 . A A . 17 CYS O 1 1 1 255 1 1 17 CYS SG S -2.887 1.878 2.964 1.00 . A A . 17 CYS SG 1 1 1 256 1 1 18 CYS C C -2.245 0.646 8.057 1.00 . A A . 18 CYS C 1 1 1 257 1 1 18 CYS CA C -1.556 1.929 7.559 1.00 . A A . 18 CYS CA 1 1 1 258 1 1 18 CYS CB C -2.400 3.171 7.850 1.00 . A A . 18 CYS CB 1 1 1 259 1 1 18 CYS H H -1.729 2.625 5.509 1.00 . A A . 18 CYS H 1 1 1 260 1 1 18 CYS HA H -0.594 2.029 8.037 1.00 . A A . 18 CYS HA 1 1 1 261 1 1 18 CYS HB2 H -2.644 3.669 6.923 1.00 . A A . 18 CYS HB2 1 1 1 262 1 1 18 CYS HB3 H -3.308 2.883 8.357 1.00 . A A . 18 CYS HB3 1 1 1 263 1 1 18 CYS N N -1.379 1.895 6.071 1.00 . A A . 18 CYS N 1 1 1 264 1 1 18 CYS O O -2.870 -0.069 7.297 1.00 . A A . 18 CYS O 1 1 1 265 1 1 18 CYS SG S -1.445 4.289 8.905 1.00 . A A . 18 CYS SG 1 1 1 266 1 1 19 GLU C C -4.191 -1.074 9.549 1.00 . A A . 19 GLU C 1 1 1 267 1 1 19 GLU CA C -2.703 -0.908 9.902 1.00 . A A . 19 GLU CA 1 1 1 268 1 1 19 GLU CB C -2.520 -0.790 11.420 1.00 . A A . 19 GLU CB 1 1 1 269 1 1 19 GLU CD C -2.674 -3.275 11.731 1.00 . A A . 19 GLU CD 1 1 1 270 1 1 19 GLU CG C -1.802 -2.035 11.955 1.00 . A A . 19 GLU CG 1 1 1 271 1 1 19 GLU H H -1.569 0.932 9.903 1.00 . A A . 19 GLU H 1 1 1 272 1 1 19 GLU HA H -2.159 -1.763 9.542 1.00 . A A . 19 GLU HA 1 1 1 273 1 1 19 GLU HB2 H -1.931 0.088 11.644 1.00 . A A . 19 GLU HB2 1 1 1 274 1 1 19 GLU HB3 H -3.486 -0.704 11.893 1.00 . A A . 19 GLU HB3 1 1 1 275 1 1 19 GLU HG2 H -0.861 -2.158 11.438 1.00 . A A . 19 GLU HG2 1 1 1 276 1 1 19 GLU HG3 H -1.617 -1.915 13.012 1.00 . A A . 19 GLU HG3 1 1 1 277 1 1 19 GLU N N -2.100 0.343 9.326 1.00 . A A . 19 GLU N 1 1 1 278 1 1 19 GLU O O -4.587 -2.141 9.118 1.00 . A A . 19 GLU O 1 1 1 279 1 1 19 GLU OE1 O -3.645 -3.431 12.455 1.00 . A A . 19 GLU OE1 1 1 1 280 1 1 19 GLU OE2 O -2.356 -4.046 10.841 1.00 . A A . 19 GLU OE2 1 1 1 281 1 1 20 PRO C C -6.661 -0.253 7.888 1.00 . A A . 20 PRO C 1 1 1 282 1 1 20 PRO CA C -6.428 -0.127 9.408 1.00 . A A . 20 PRO CA 1 1 1 283 1 1 20 PRO CB C -7.000 1.183 9.946 1.00 . A A . 20 PRO CB 1 1 1 284 1 1 20 PRO CD C -4.618 1.298 10.245 1.00 . A A . 20 PRO CD 1 1 1 285 1 1 20 PRO CG C -5.843 2.127 9.966 1.00 . A A . 20 PRO CG 1 1 1 286 1 1 20 PRO HA H -6.875 -0.959 9.926 1.00 . A A . 20 PRO HA 1 1 1 287 1 1 20 PRO HB2 H -7.778 1.551 9.290 1.00 . A A . 20 PRO HB2 1 1 1 288 1 1 20 PRO HB3 H -7.382 1.045 10.945 1.00 . A A . 20 PRO HB3 1 1 1 289 1 1 20 PRO HD2 H -3.765 1.699 9.718 1.00 . A A . 20 PRO HD2 1 1 1 290 1 1 20 PRO HD3 H -4.425 1.249 11.305 1.00 . A A . 20 PRO HD3 1 1 1 291 1 1 20 PRO HG2 H -5.750 2.617 9.007 1.00 . A A . 20 PRO HG2 1 1 1 292 1 1 20 PRO HG3 H -5.973 2.859 10.747 1.00 . A A . 20 PRO HG3 1 1 1 293 1 1 20 PRO N N -4.977 -0.034 9.732 1.00 . A A . 20 PRO N 1 1 1 294 1 1 20 PRO O O -7.790 -0.349 7.441 1.00 . A A . 20 PRO O 1 1 1 295 1 1 21 TYR C C -4.879 -1.497 5.060 1.00 . A A . 21 TYR C 1 1 1 296 1 1 21 TYR CA C -5.788 -0.390 5.610 1.00 . A A . 21 TYR CA 1 1 1 297 1 1 21 TYR CB C -5.377 0.967 5.022 1.00 . A A . 21 TYR CB 1 1 1 298 1 1 21 TYR CD1 C -7.487 2.056 5.888 1.00 . A A . 21 TYR CD1 1 1 1 299 1 1 21 TYR CD2 C -5.364 3.173 6.238 1.00 . A A . 21 TYR CD2 1 1 1 300 1 1 21 TYR CE1 C -8.145 3.100 6.547 1.00 . A A . 21 TYR CE1 1 1 1 301 1 1 21 TYR CE2 C -6.021 4.216 6.896 1.00 . A A . 21 TYR CE2 1 1 1 302 1 1 21 TYR CG C -6.095 2.092 5.733 1.00 . A A . 21 TYR CG 1 1 1 303 1 1 21 TYR CZ C -7.411 4.180 7.051 1.00 . A A . 21 TYR CZ 1 1 1 304 1 1 21 TYR H H -4.707 -0.193 7.469 1.00 . A A . 21 TYR H 1 1 1 305 1 1 21 TYR HA H -6.818 -0.598 5.369 1.00 . A A . 21 TYR HA 1 1 1 306 1 1 21 TYR HB2 H -4.310 1.097 5.133 1.00 . A A . 21 TYR HB2 1 1 1 307 1 1 21 TYR HB3 H -5.632 0.990 3.973 1.00 . A A . 21 TYR HB3 1 1 1 308 1 1 21 TYR HD1 H -8.053 1.222 5.498 1.00 . A A . 21 TYR HD1 1 1 1 309 1 1 21 TYR HD2 H -4.291 3.200 6.118 1.00 . A A . 21 TYR HD2 1 1 1 310 1 1 21 TYR HE1 H -9.217 3.071 6.666 1.00 . A A . 21 TYR HE1 1 1 1 311 1 1 21 TYR HE2 H -5.456 5.050 7.286 1.00 . A A . 21 TYR HE2 1 1 1 312 1 1 21 TYR HH H -8.653 5.629 7.077 1.00 . A A . 21 TYR HH 1 1 1 313 1 1 21 TYR N N -5.612 -0.263 7.092 1.00 . A A . 21 TYR N 1 1 1 314 1 1 21 TYR O O -4.043 -2.033 5.763 1.00 . A A . 21 TYR O 1 1 1 315 1 1 21 TYR OH O -8.058 5.210 7.702 1.00 . A A . 21 TYR OH 1 1 1 316 1 1 22 THR C C -3.747 -2.521 1.783 1.00 . A A . 22 THR C 1 1 1 317 1 1 22 THR CA C -4.179 -2.910 3.202 1.00 . A A . 22 THR CA 1 1 1 318 1 1 22 THR CB C -5.055 -4.169 3.163 1.00 . A A . 22 THR CB 1 1 1 319 1 1 22 THR CG2 C -5.249 -4.710 4.583 1.00 . A A . 22 THR CG2 1 1 1 320 1 1 22 THR H H -5.714 -1.391 3.256 1.00 . A A . 22 THR H 1 1 1 321 1 1 22 THR HA H -3.313 -3.087 3.820 1.00 . A A . 22 THR HA 1 1 1 322 1 1 22 THR HB H -4.565 -4.920 2.564 1.00 . A A . 22 THR HB 1 1 1 323 1 1 22 THR HG1 H -6.867 -3.442 3.257 1.00 . A A . 22 THR HG1 1 1 1 324 1 1 22 THR HG21 H -5.522 -5.754 4.536 1.00 . A A . 22 THR HG21 1 1 1 325 1 1 22 THR HG22 H -4.329 -4.603 5.139 1.00 . A A . 22 THR HG22 1 1 1 326 1 1 22 THR HG23 H -6.034 -4.155 5.076 1.00 . A A . 22 THR HG23 1 1 1 327 1 1 22 THR N N -5.035 -1.839 3.804 1.00 . A A . 22 THR N 1 1 1 328 1 1 22 THR O O -4.414 -1.762 1.105 1.00 . A A . 22 THR O 1 1 1 329 1 1 22 THR OG1 O -6.322 -3.860 2.585 1.00 . A A . 22 THR OG1 1 1 1 330 1 1 23 CYS C C -2.552 -3.851 -1.011 1.00 . A A . 23 CYS C 1 1 1 331 1 1 23 CYS CA C -2.154 -2.729 -0.047 1.00 . A A . 23 CYS CA 1 1 1 332 1 1 23 CYS CB C -0.631 -2.632 0.071 1.00 . A A . 23 CYS CB 1 1 1 333 1 1 23 CYS H H -2.126 -3.666 1.896 1.00 . A A . 23 CYS H 1 1 1 334 1 1 23 CYS HA H -2.560 -1.785 -0.379 1.00 . A A . 23 CYS HA 1 1 1 335 1 1 23 CYS HB2 H -0.374 -1.872 0.794 1.00 . A A . 23 CYS HB2 1 1 1 336 1 1 23 CYS HB3 H -0.235 -3.584 0.393 1.00 . A A . 23 CYS HB3 1 1 1 337 1 1 23 CYS N N -2.637 -3.050 1.330 1.00 . A A . 23 CYS N 1 1 1 338 1 1 23 CYS O O -2.504 -5.019 -0.671 1.00 . A A . 23 CYS O 1 1 1 339 1 1 23 CYS SG S 0.077 -2.198 -1.538 1.00 . A A . 23 CYS SG 1 1 1 340 1 1 24 THR C C -2.120 -5.129 -3.898 1.00 . A A . 24 THR C 1 1 1 341 1 1 24 THR CA C -3.354 -4.548 -3.199 1.00 . A A . 24 THR CA 1 1 1 342 1 1 24 THR CB C -4.269 -3.830 -4.202 1.00 . A A . 24 THR CB 1 1 1 343 1 1 24 THR CG2 C -5.618 -3.527 -3.541 1.00 . A A . 24 THR CG2 1 1 1 344 1 1 24 THR H H -2.978 -2.556 -2.458 1.00 . A A . 24 THR H 1 1 1 345 1 1 24 THR HA H -3.899 -5.332 -2.706 1.00 . A A . 24 THR HA 1 1 1 346 1 1 24 THR HB H -4.430 -4.466 -5.059 1.00 . A A . 24 THR HB 1 1 1 347 1 1 24 THR HG1 H -3.321 -2.746 -5.513 1.00 . A A . 24 THR HG1 1 1 1 348 1 1 24 THR HG21 H -6.353 -4.242 -3.880 1.00 . A A . 24 THR HG21 1 1 1 349 1 1 24 THR HG22 H -5.518 -3.596 -2.468 1.00 . A A . 24 THR HG22 1 1 1 350 1 1 24 THR HG23 H -5.936 -2.530 -3.810 1.00 . A A . 24 THR HG23 1 1 1 351 1 1 24 THR N N -2.947 -3.504 -2.209 1.00 . A A . 24 THR N 1 1 1 352 1 1 24 THR O O -1.946 -6.332 -3.967 1.00 . A A . 24 THR O 1 1 1 353 1 1 24 THR OG1 O -3.660 -2.616 -4.624 1.00 . A A . 24 THR OG1 1 1 1 354 1 1 25 SER C C 1.222 -4.383 -4.330 1.00 . A A . 25 SER C 1 1 1 355 1 1 25 SER CA C -0.037 -4.786 -5.107 1.00 . A A . 25 SER CA 1 1 1 356 1 1 25 SER CB C -0.056 -4.117 -6.481 1.00 . A A . 25 SER CB 1 1 1 357 1 1 25 SER H H -1.427 -3.323 -4.341 1.00 . A A . 25 SER H 1 1 1 358 1 1 25 SER HA H -0.080 -5.857 -5.221 1.00 . A A . 25 SER HA 1 1 1 359 1 1 25 SER HB2 H -1.068 -4.064 -6.846 1.00 . A A . 25 SER HB2 1 1 1 360 1 1 25 SER HB3 H 0.348 -3.116 -6.397 1.00 . A A . 25 SER HB3 1 1 1 361 1 1 25 SER HG H 1.653 -4.686 -7.221 1.00 . A A . 25 SER HG 1 1 1 362 1 1 25 SER N N -1.263 -4.286 -4.413 1.00 . A A . 25 SER N 1 1 1 363 1 1 25 SER O O 1.428 -3.223 -4.024 1.00 . A A . 25 SER O 1 1 1 364 1 1 25 SER OG O 0.728 -4.882 -7.388 1.00 . A A . 25 SER OG 1 1 1 365 1 1 26 ASP C C 4.257 -4.138 -4.108 1.00 . A A . 26 ASP C 1 1 1 366 1 1 26 ASP CA C 3.326 -5.022 -3.265 1.00 . A A . 26 ASP CA 1 1 1 367 1 1 26 ASP CB C 3.982 -6.380 -2.999 1.00 . A A . 26 ASP CB 1 1 1 368 1 1 26 ASP CG C 3.427 -6.973 -1.701 1.00 . A A . 26 ASP CG 1 1 1 369 1 1 26 ASP H H 1.876 -6.261 -4.282 1.00 . A A . 26 ASP H 1 1 1 370 1 1 26 ASP HA H 3.095 -4.539 -2.329 1.00 . A A . 26 ASP HA 1 1 1 371 1 1 26 ASP HB2 H 3.771 -7.049 -3.820 1.00 . A A . 26 ASP HB2 1 1 1 372 1 1 26 ASP HB3 H 5.050 -6.252 -2.906 1.00 . A A . 26 ASP HB3 1 1 1 373 1 1 26 ASP N N 2.067 -5.336 -4.017 1.00 . A A . 26 ASP N 1 1 1 374 1 1 26 ASP O O 5.078 -3.412 -3.579 1.00 . A A . 26 ASP O 1 1 1 375 1 1 26 ASP OD1 O 3.947 -6.638 -0.648 1.00 . A A . 26 ASP OD1 1 1 1 376 1 1 26 ASP OD2 O 2.493 -7.754 -1.781 1.00 . A A . 26 ASP OD2 1 1 1 377 1 1 27 TYR C C 4.357 -1.994 -6.541 1.00 . A A . 27 TYR C 1 1 1 378 1 1 27 TYR CA C 5.011 -3.358 -6.291 1.00 . A A . 27 TYR CA 1 1 1 379 1 1 27 TYR CB C 5.139 -4.145 -7.602 1.00 . A A . 27 TYR CB 1 1 1 380 1 1 27 TYR CD1 C 7.248 -5.517 -7.372 1.00 . A A . 27 TYR CD1 1 1 1 381 1 1 27 TYR CD2 C 5.104 -6.620 -7.105 1.00 . A A . 27 TYR CD2 1 1 1 382 1 1 27 TYR CE1 C 7.902 -6.734 -7.146 1.00 . A A . 27 TYR CE1 1 1 1 383 1 1 27 TYR CE2 C 5.758 -7.837 -6.878 1.00 . A A . 27 TYR CE2 1 1 1 384 1 1 27 TYR CG C 5.848 -5.459 -7.352 1.00 . A A . 27 TYR CG 1 1 1 385 1 1 27 TYR CZ C 7.157 -7.894 -6.899 1.00 . A A . 27 TYR CZ 1 1 1 386 1 1 27 TYR H H 3.467 -4.787 -5.817 1.00 . A A . 27 TYR H 1 1 1 387 1 1 27 TYR HA H 5.980 -3.231 -5.843 1.00 . A A . 27 TYR HA 1 1 1 388 1 1 27 TYR HB2 H 4.155 -4.339 -8.001 1.00 . A A . 27 TYR HB2 1 1 1 389 1 1 27 TYR HB3 H 5.705 -3.563 -8.314 1.00 . A A . 27 TYR HB3 1 1 1 390 1 1 27 TYR HD1 H 7.823 -4.622 -7.562 1.00 . A A . 27 TYR HD1 1 1 1 391 1 1 27 TYR HD2 H 4.025 -6.577 -7.089 1.00 . A A . 27 TYR HD2 1 1 1 392 1 1 27 TYR HE1 H 8.981 -6.778 -7.162 1.00 . A A . 27 TYR HE1 1 1 1 393 1 1 27 TYR HE2 H 5.184 -8.732 -6.687 1.00 . A A . 27 TYR HE2 1 1 1 394 1 1 27 TYR HH H 7.694 -9.640 -7.461 1.00 . A A . 27 TYR HH 1 1 1 395 1 1 27 TYR N N 4.135 -4.194 -5.413 1.00 . A A . 27 TYR N 1 1 1 396 1 1 27 TYR O O 4.912 -0.961 -6.215 1.00 . A A . 27 TYR O 1 1 1 397 1 1 27 TYR OH O 7.803 -9.094 -6.677 1.00 . A A . 27 TYR OH 1 1 1 398 1 1 28 TYR C C 0.961 -0.934 -7.493 1.00 . A A . 28 TYR C 1 1 1 399 1 1 28 TYR CA C 2.475 -0.701 -7.396 1.00 . A A . 28 TYR CA 1 1 1 400 1 1 28 TYR CB C 3.029 -0.222 -8.742 1.00 . A A . 28 TYR CB 1 1 1 401 1 1 28 TYR CD1 C 2.202 2.126 -8.312 1.00 . A A . 28 TYR CD1 1 1 1 402 1 1 28 TYR CD2 C 4.489 1.812 -9.057 1.00 . A A . 28 TYR CD2 1 1 1 403 1 1 28 TYR CE1 C 2.403 3.510 -8.275 1.00 . A A . 28 TYR CE1 1 1 1 404 1 1 28 TYR CE2 C 4.690 3.197 -9.020 1.00 . A A . 28 TYR CE2 1 1 1 405 1 1 28 TYR CG C 3.245 1.275 -8.702 1.00 . A A . 28 TYR CG 1 1 1 406 1 1 28 TYR CZ C 3.647 4.046 -8.629 1.00 . A A . 28 TYR CZ 1 1 1 407 1 1 28 TYR H H 2.763 -2.838 -7.367 1.00 . A A . 28 TYR H 1 1 1 408 1 1 28 TYR HA H 2.697 0.022 -6.627 1.00 . A A . 28 TYR HA 1 1 1 409 1 1 28 TYR HB2 H 3.969 -0.716 -8.940 1.00 . A A . 28 TYR HB2 1 1 1 410 1 1 28 TYR HB3 H 2.326 -0.462 -9.525 1.00 . A A . 28 TYR HB3 1 1 1 411 1 1 28 TYR HD1 H 1.242 1.713 -8.038 1.00 . A A . 28 TYR HD1 1 1 1 412 1 1 28 TYR HD2 H 5.294 1.158 -9.359 1.00 . A A . 28 TYR HD2 1 1 1 413 1 1 28 TYR HE1 H 1.599 4.164 -7.973 1.00 . A A . 28 TYR HE1 1 1 1 414 1 1 28 TYR HE2 H 5.649 3.611 -9.294 1.00 . A A . 28 TYR HE2 1 1 1 415 1 1 28 TYR HH H 4.214 5.633 -7.732 1.00 . A A . 28 TYR HH 1 1 1 416 1 1 28 TYR N N 3.181 -1.990 -7.117 1.00 . A A . 28 TYR N 1 1 1 417 1 1 28 TYR O O 0.494 -1.684 -8.331 1.00 . A A . 28 TYR O 1 1 1 418 1 1 28 TYR OH O 3.846 5.411 -8.591 1.00 . A A . 28 TYR OH 1 1 1 419 1 1 29 GLY C C -1.971 0.649 -5.897 1.00 . A A . 29 GLY C 1 1 1 420 1 1 29 GLY CA C -1.290 -0.474 -6.687 1.00 . A A . 29 GLY CA 1 1 1 421 1 1 29 GLY H H 0.594 0.306 -5.980 1.00 . A A . 29 GLY H 1 1 1 422 1 1 29 GLY HA2 H -1.626 -0.449 -7.714 1.00 . A A . 29 GLY HA2 1 1 1 423 1 1 29 GLY HA3 H -1.549 -1.425 -6.246 1.00 . A A . 29 GLY HA3 1 1 1 424 1 1 29 GLY N N 0.194 -0.294 -6.645 1.00 . A A . 29 GLY N 1 1 1 425 1 1 29 GLY O O -1.597 1.803 -5.995 1.00 . A A . 29 GLY O 1 1 1 426 1 1 30 ASN C C -4.121 0.768 -2.962 1.00 . A A . 30 ASN C 1 1 1 427 1 1 30 ASN CA C -3.681 1.354 -4.309 1.00 . A A . 30 ASN CA 1 1 1 428 1 1 30 ASN CB C -4.899 1.751 -5.148 1.00 . A A . 30 ASN CB 1 1 1 429 1 1 30 ASN CG C -4.601 3.052 -5.898 1.00 . A A . 30 ASN CG 1 1 1 430 1 1 30 ASN H H -3.248 -0.623 -5.055 1.00 . A A . 30 ASN H 1 1 1 431 1 1 30 ASN HA H -3.046 2.211 -4.154 1.00 . A A . 30 ASN HA 1 1 1 432 1 1 30 ASN HB2 H -5.120 0.967 -5.858 1.00 . A A . 30 ASN HB2 1 1 1 433 1 1 30 ASN HB3 H -5.750 1.900 -4.500 1.00 . A A . 30 ASN HB3 1 1 1 434 1 1 30 ASN HD21 H -4.112 2.135 -7.591 1.00 . A A . 30 ASN HD21 1 1 1 435 1 1 30 ASN HD22 H -4.018 3.829 -7.630 1.00 . A A . 30 ASN HD22 1 1 1 436 1 1 30 ASN N N -2.968 0.315 -5.115 1.00 . A A . 30 ASN N 1 1 1 437 1 1 30 ASN ND2 N -4.211 3.001 -7.143 1.00 . A A . 30 ASN ND2 1 1 1 438 1 1 30 ASN O O -3.992 -0.418 -2.719 1.00 . A A . 30 ASN O 1 1 1 439 1 1 30 ASN OD1 O -4.721 4.127 -5.343 1.00 . A A . 30 ASN OD1 1 1 1 440 1 1 31 CYS C C -6.569 1.375 -0.531 1.00 . A A . 31 CYS C 1 1 1 441 1 1 31 CYS CA C -5.078 1.087 -0.749 1.00 . A A . 31 CYS CA 1 1 1 442 1 1 31 CYS CB C -4.226 1.857 0.261 1.00 . A A . 31 CYS CB 1 1 1 443 1 1 31 CYS H H -4.725 2.544 -2.301 1.00 . A A . 31 CYS H 1 1 1 444 1 1 31 CYS HA H -4.883 0.030 -0.663 1.00 . A A . 31 CYS HA 1 1 1 445 1 1 31 CYS HB2 H -3.186 1.801 -0.027 1.00 . A A . 31 CYS HB2 1 1 1 446 1 1 31 CYS HB3 H -4.539 2.891 0.283 1.00 . A A . 31 CYS HB3 1 1 1 447 1 1 31 CYS N N -4.635 1.592 -2.084 1.00 . A A . 31 CYS N 1 1 1 448 1 1 31 CYS O O -7.068 2.423 -0.896 1.00 . A A . 31 CYS O 1 1 1 449 1 1 31 CYS SG S -4.433 1.132 1.903 1.00 . A A . 31 CYS SG 1 1 1 450 1 1 32 SER C C -9.307 -0.500 1.165 1.00 . A A . 32 SER C 1 1 1 451 1 1 32 SER CA C -8.743 0.656 0.326 1.00 . A A . 32 SER CA 1 1 1 452 1 1 32 SER CB C -9.406 0.694 -1.057 1.00 . A A . 32 SER CB 1 1 1 453 1 1 32 SER H H -6.849 -0.383 0.355 1.00 . A A . 32 SER H 1 1 1 454 1 1 32 SER HA H -8.902 1.596 0.833 1.00 . A A . 32 SER HA 1 1 1 455 1 1 32 SER HB2 H -10.468 0.830 -0.944 1.00 . A A . 32 SER HB2 1 1 1 456 1 1 32 SER HB3 H -9.001 1.522 -1.626 1.00 . A A . 32 SER HB3 1 1 1 457 1 1 32 SER HG H -9.031 -0.331 -2.670 1.00 . A A . 32 SER HG 1 1 1 458 1 1 32 SER N N -7.280 0.450 0.069 1.00 . A A . 32 SER N 1 1 1 459 1 1 32 SER O O -8.900 -1.631 0.943 1.00 . A A . 32 SER O 1 1 1 460 1 1 32 SER OXT O -10.136 -0.234 2.019 1.00 . A A . 32 SER OXT 1 1 1 461 1 1 32 SER OG O -9.162 -0.530 -1.740 1.00 . A A . 32 SER OG 1 1 2 462 1 1 1 CYS C C 1.686 4.914 5.948 1.00 . A A . 1 CYS C 1 1 2 463 1 1 1 CYS CA C 2.271 4.122 7.123 1.00 . A A . 1 CYS CA 1 1 2 464 1 1 1 CYS CB C 1.162 3.482 7.957 1.00 . A A . 1 CYS CB 1 1 2 465 1 1 1 CYS H1 H 3.909 4.603 8.310 1.00 . A A . 1 CYS H1 1 1 2 466 1 1 1 CYS H2 H 3.170 5.936 7.599 1.00 . A A . 1 CYS H2 1 1 2 467 1 1 1 CYS H3 H 2.422 6.386 5.129 1.00 . A A . 1 CYS H3 1 1 2 468 1 1 1 CYS HA H 2.928 3.354 6.756 1.00 . A A . 1 CYS HA 1 1 2 469 1 1 1 CYS HB2 H 0.599 2.807 7.332 1.00 . A A . 1 CYS HB2 1 1 2 470 1 1 1 CYS HB3 H 1.605 2.927 8.773 1.00 . A A . 1 CYS HB3 1 1 2 471 1 1 1 CYS N N 3.005 5.028 8.058 1.00 . A A . 1 CYS N 1 1 2 472 1 1 1 CYS O O 1.784 6.127 5.894 1.00 . A A . 1 CYS O 1 1 2 473 1 1 1 CYS SG S 0.058 4.757 8.619 1.00 . A A . 1 CYS SG 1 1 2 474 1 1 2 ILE C C -1.013 5.112 4.013 1.00 . A A . 2 ILE C 1 1 2 475 1 1 2 ILE CA C 0.496 4.943 3.826 1.00 . A A . 2 ILE CA 1 1 2 476 1 1 2 ILE CB C 0.792 4.035 2.627 1.00 . A A . 2 ILE CB 1 1 2 477 1 1 2 ILE CD1 C 2.743 2.631 1.951 1.00 . A A . 2 ILE CD1 1 1 2 478 1 1 2 ILE CG1 C 2.297 4.039 2.342 1.00 . A A . 2 ILE CG1 1 1 2 479 1 1 2 ILE CG2 C 0.043 4.537 1.386 1.00 . A A . 2 ILE CG2 1 1 2 480 1 1 2 ILE H H 1.017 3.258 5.068 1.00 . A A . 2 ILE H 1 1 2 481 1 1 2 ILE HA H 0.972 5.901 3.689 1.00 . A A . 2 ILE HA 1 1 2 482 1 1 2 ILE HB H 0.470 3.030 2.856 1.00 . A A . 2 ILE HB 1 1 2 483 1 1 2 ILE HD11 H 2.608 1.965 2.791 1.00 . A A . 2 ILE HD11 1 1 2 484 1 1 2 ILE HD12 H 2.150 2.282 1.118 1.00 . A A . 2 ILE HD12 1 1 2 485 1 1 2 ILE HD13 H 3.785 2.648 1.670 1.00 . A A . 2 ILE HD13 1 1 2 486 1 1 2 ILE HG12 H 2.509 4.722 1.534 1.00 . A A . 2 ILE HG12 1 1 2 487 1 1 2 ILE HG13 H 2.832 4.351 3.228 1.00 . A A . 2 ILE HG13 1 1 2 488 1 1 2 ILE HG21 H -0.590 5.367 1.654 1.00 . A A . 2 ILE HG21 1 1 2 489 1 1 2 ILE HG22 H 0.756 4.854 0.639 1.00 . A A . 2 ILE HG22 1 1 2 490 1 1 2 ILE HG23 H -0.564 3.738 0.985 1.00 . A A . 2 ILE HG23 1 1 2 491 1 1 2 ILE N N 1.084 4.235 5.004 1.00 . A A . 2 ILE N 1 1 2 492 1 1 2 ILE O O -1.687 4.202 4.457 1.00 . A A . 2 ILE O 1 1 2 493 1 1 3 PRO C C -3.732 5.733 2.745 1.00 . A A . 3 PRO C 1 1 2 494 1 1 3 PRO CA C -2.951 6.558 3.772 1.00 . A A . 3 PRO CA 1 1 2 495 1 1 3 PRO CB C -3.053 8.052 3.468 1.00 . A A . 3 PRO CB 1 1 2 496 1 1 3 PRO CD C -0.760 7.422 3.109 1.00 . A A . 3 PRO CD 1 1 2 497 1 1 3 PRO CG C -1.842 8.361 2.649 1.00 . A A . 3 PRO CG 1 1 2 498 1 1 3 PRO HA H -3.299 6.357 4.771 1.00 . A A . 3 PRO HA 1 1 2 499 1 1 3 PRO HB2 H -3.953 8.259 2.906 1.00 . A A . 3 PRO HB2 1 1 2 500 1 1 3 PRO HB3 H -3.037 8.625 4.381 1.00 . A A . 3 PRO HB3 1 1 2 501 1 1 3 PRO HD2 H -0.142 7.118 2.274 1.00 . A A . 3 PRO HD2 1 1 2 502 1 1 3 PRO HD3 H -0.161 7.878 3.881 1.00 . A A . 3 PRO HD3 1 1 2 503 1 1 3 PRO HG2 H -2.056 8.201 1.601 1.00 . A A . 3 PRO HG2 1 1 2 504 1 1 3 PRO HG3 H -1.533 9.381 2.813 1.00 . A A . 3 PRO HG3 1 1 2 505 1 1 3 PRO N N -1.501 6.275 3.654 1.00 . A A . 3 PRO N 1 1 2 506 1 1 3 PRO O O -3.226 5.405 1.688 1.00 . A A . 3 PRO O 1 1 2 507 1 1 4 LYS C C -5.978 5.342 0.776 1.00 . A A . 4 LYS C 1 1 2 508 1 1 4 LYS CA C -5.762 4.575 2.090 1.00 . A A . 4 LYS CA 1 1 2 509 1 1 4 LYS CB C -7.100 4.322 2.792 1.00 . A A . 4 LYS CB 1 1 2 510 1 1 4 LYS CD C -9.241 5.364 3.563 1.00 . A A . 4 LYS CD 1 1 2 511 1 1 4 LYS CE C -10.367 6.150 2.882 1.00 . A A . 4 LYS CE 1 1 2 512 1 1 4 LYS CG C -7.927 5.611 2.822 1.00 . A A . 4 LYS CG 1 1 2 513 1 1 4 LYS H H -5.335 5.649 3.912 1.00 . A A . 4 LYS H 1 1 2 514 1 1 4 LYS HA H -5.271 3.637 1.898 1.00 . A A . 4 LYS HA 1 1 2 515 1 1 4 LYS HB2 H -7.645 3.559 2.257 1.00 . A A . 4 LYS HB2 1 1 2 516 1 1 4 LYS HB3 H -6.918 3.991 3.803 1.00 . A A . 4 LYS HB3 1 1 2 517 1 1 4 LYS HD2 H -9.473 4.309 3.543 1.00 . A A . 4 LYS HD2 1 1 2 518 1 1 4 LYS HD3 H -9.145 5.692 4.587 1.00 . A A . 4 LYS HD3 1 1 2 519 1 1 4 LYS HE2 H -10.750 6.909 3.551 1.00 . A A . 4 LYS HE2 1 1 2 520 1 1 4 LYS HE3 H -10.013 6.599 1.967 1.00 . A A . 4 LYS HE3 1 1 2 521 1 1 4 LYS HG2 H -7.367 6.385 3.327 1.00 . A A . 4 LYS HG2 1 1 2 522 1 1 4 LYS HG3 H -8.139 5.923 1.811 1.00 . A A . 4 LYS HG3 1 1 2 523 1 1 4 LYS HZ1 H -11.132 4.572 1.773 1.00 . A A . 4 LYS HZ1 1 1 2 524 1 1 4 LYS HZ3 H -12.305 5.625 2.358 1.00 . A A . 4 LYS HZ3 1 1 2 525 1 1 4 LYS N N -4.953 5.385 3.050 1.00 . A A . 4 LYS N 1 1 2 526 1 1 4 LYS NZ N -11.423 5.143 2.580 1.00 . A A . 4 LYS NZ 1 1 2 527 1 1 4 LYS O O -5.785 6.543 0.703 1.00 . A A . 4 LYS O 1 1 2 528 1 1 5 TRP C C -5.394 6.045 -2.089 1.00 . A A . 5 TRP C 1 1 2 529 1 1 5 TRP CA C -6.629 5.280 -1.589 1.00 . A A . 5 TRP CA 1 1 2 530 1 1 5 TRP CB C -7.815 6.222 -1.376 1.00 . A A . 5 TRP CB 1 1 2 531 1 1 5 TRP CD1 C -9.551 4.694 -0.387 1.00 . A A . 5 TRP CD1 1 1 2 532 1 1 5 TRP CD2 C -9.987 5.212 -2.527 1.00 . A A . 5 TRP CD2 1 1 2 533 1 1 5 TRP CE2 C -11.029 4.359 -2.097 1.00 . A A . 5 TRP CE2 1 1 2 534 1 1 5 TRP CE3 C -10.020 5.688 -3.851 1.00 . A A . 5 TRP CE3 1 1 2 535 1 1 5 TRP CG C -9.068 5.416 -1.418 1.00 . A A . 5 TRP CG 1 1 2 536 1 1 5 TRP CH2 C -12.085 4.464 -4.262 1.00 . A A . 5 TRP CH2 1 1 2 537 1 1 5 TRP CZ2 C -12.067 3.986 -2.950 1.00 . A A . 5 TRP CZ2 1 1 2 538 1 1 5 TRP CZ3 C -11.063 5.313 -4.713 1.00 . A A . 5 TRP CZ3 1 1 2 539 1 1 5 TRP H H -6.527 3.682 -0.157 1.00 . A A . 5 TRP H 1 1 2 540 1 1 5 TRP HA H -6.907 4.524 -2.301 1.00 . A A . 5 TRP HA 1 1 2 541 1 1 5 TRP HB2 H -7.727 6.710 -0.416 1.00 . A A . 5 TRP HB2 1 1 2 542 1 1 5 TRP HB3 H -7.836 6.965 -2.159 1.00 . A A . 5 TRP HB3 1 1 2 543 1 1 5 TRP HD1 H -9.098 4.620 0.587 1.00 . A A . 5 TRP HD1 1 1 2 544 1 1 5 TRP HE1 H -11.270 3.490 -0.219 1.00 . A A . 5 TRP HE1 1 1 2 545 1 1 5 TRP HE3 H -9.236 6.340 -4.207 1.00 . A A . 5 TRP HE3 1 1 2 546 1 1 5 TRP HH2 H -12.884 4.178 -4.930 1.00 . A A . 5 TRP HH2 1 1 2 547 1 1 5 TRP HZ2 H -12.852 3.333 -2.600 1.00 . A A . 5 TRP HZ2 1 1 2 548 1 1 5 TRP HZ3 H -11.079 5.681 -5.729 1.00 . A A . 5 TRP HZ3 1 1 2 549 1 1 5 TRP N N -6.381 4.643 -0.257 1.00 . A A . 5 TRP N 1 1 2 550 1 1 5 TRP NE1 N -10.718 4.070 -0.784 1.00 . A A . 5 TRP NE1 1 1 2 551 1 1 5 TRP O O -5.507 7.015 -2.815 1.00 . A A . 5 TRP O 1 1 2 552 1 1 6 ASN C C -2.004 5.286 -2.799 1.00 . A A . 6 ASN C 1 1 2 553 1 1 6 ASN CA C -2.976 6.300 -2.182 1.00 . A A . 6 ASN CA 1 1 2 554 1 1 6 ASN CB C -2.367 6.928 -0.926 1.00 . A A . 6 ASN CB 1 1 2 555 1 1 6 ASN CG C -2.864 8.369 -0.778 1.00 . A A . 6 ASN CG 1 1 2 556 1 1 6 ASN H H -4.144 4.819 -1.139 1.00 . A A . 6 ASN H 1 1 2 557 1 1 6 ASN HA H -3.220 7.068 -2.898 1.00 . A A . 6 ASN HA 1 1 2 558 1 1 6 ASN HB2 H -2.659 6.355 -0.060 1.00 . A A . 6 ASN HB2 1 1 2 559 1 1 6 ASN HB3 H -1.291 6.928 -1.009 1.00 . A A . 6 ASN HB3 1 1 2 560 1 1 6 ASN HD21 H -4.446 7.866 0.315 1.00 . A A . 6 ASN HD21 1 1 2 561 1 1 6 ASN HD22 H -4.276 9.527 0.003 1.00 . A A . 6 ASN HD22 1 1 2 562 1 1 6 ASN N N -4.214 5.607 -1.717 1.00 . A A . 6 ASN N 1 1 2 563 1 1 6 ASN ND2 N -3.953 8.606 -0.097 1.00 . A A . 6 ASN ND2 1 1 2 564 1 1 6 ASN O O -2.209 4.087 -2.721 1.00 . A A . 6 ASN O 1 1 2 565 1 1 6 ASN OD1 O -2.256 9.287 -1.289 1.00 . A A . 6 ASN OD1 1 1 2 566 1 1 7 ARG C C 0.733 3.989 -2.961 1.00 . A A . 7 ARG C 1 1 2 567 1 1 7 ARG CA C 0.047 4.838 -4.037 1.00 . A A . 7 ARG CA 1 1 2 568 1 1 7 ARG CB C 1.065 5.751 -4.724 1.00 . A A . 7 ARG CB 1 1 2 569 1 1 7 ARG CD C 0.401 7.892 -5.834 1.00 . A A . 7 ARG CD 1 1 2 570 1 1 7 ARG CG C 0.437 6.367 -5.976 1.00 . A A . 7 ARG CG 1 1 2 571 1 1 7 ARG CZ C 0.623 9.640 -7.497 1.00 . A A . 7 ARG CZ 1 1 2 572 1 1 7 ARG H H -0.812 6.733 -3.455 1.00 . A A . 7 ARG H 1 1 2 573 1 1 7 ARG HA H -0.434 4.207 -4.766 1.00 . A A . 7 ARG HA 1 1 2 574 1 1 7 ARG HB2 H 1.359 6.538 -4.043 1.00 . A A . 7 ARG HB2 1 1 2 575 1 1 7 ARG HB3 H 1.933 5.175 -5.005 1.00 . A A . 7 ARG HB3 1 1 2 576 1 1 7 ARG HD2 H -0.613 8.228 -5.663 1.00 . A A . 7 ARG HD2 1 1 2 577 1 1 7 ARG HD3 H 1.043 8.211 -5.026 1.00 . A A . 7 ARG HD3 1 1 2 578 1 1 7 ARG HG2 H 1.024 6.098 -6.842 1.00 . A A . 7 ARG HG2 1 1 2 579 1 1 7 ARG HG3 H -0.571 5.996 -6.096 1.00 . A A . 7 ARG HG3 1 1 2 580 1 1 7 ARG HH11 H -1.115 9.130 -8.357 1.00 . A A . 7 ARG HH11 1 1 2 581 1 1 7 ARG HH12 H -0.711 10.813 -8.426 1.00 . A A . 7 ARG HH12 1 1 2 582 1 1 7 ARG HH21 H 2.292 10.433 -6.722 1.00 . A A . 7 ARG HH21 1 1 2 583 1 1 7 ARG HH22 H 1.223 11.553 -7.498 1.00 . A A . 7 ARG HH22 1 1 2 584 1 1 7 ARG N N -0.950 5.763 -3.409 1.00 . A A . 7 ARG N 1 1 2 585 1 1 7 ARG NE N 0.913 8.420 -7.130 1.00 . A A . 7 ARG NE 1 1 2 586 1 1 7 ARG NH1 N -0.488 9.880 -8.144 1.00 . A A . 7 ARG NH1 1 1 2 587 1 1 7 ARG NH2 N 1.443 10.618 -7.217 1.00 . A A . 7 ARG NH2 1 1 2 588 1 1 7 ARG O O 1.194 4.501 -1.956 1.00 . A A . 7 ARG O 1 1 2 589 1 1 8 CYS C C 2.641 1.062 -2.761 1.00 . A A . 8 CYS C 1 1 2 590 1 1 8 CYS CA C 1.451 1.811 -2.148 1.00 . A A . 8 CYS CA 1 1 2 591 1 1 8 CYS CB C 0.360 0.830 -1.720 1.00 . A A . 8 CYS CB 1 1 2 592 1 1 8 CYS H H 0.414 2.306 -3.975 1.00 . A A . 8 CYS H 1 1 2 593 1 1 8 CYS HA H 1.773 2.391 -1.296 1.00 . A A . 8 CYS HA 1 1 2 594 1 1 8 CYS HB2 H -0.538 1.377 -1.468 1.00 . A A . 8 CYS HB2 1 1 2 595 1 1 8 CYS HB3 H 0.152 0.146 -2.529 1.00 . A A . 8 CYS HB3 1 1 2 596 1 1 8 CYS N N 0.799 2.695 -3.161 1.00 . A A . 8 CYS N 1 1 2 597 1 1 8 CYS O O 2.726 0.881 -3.962 1.00 . A A . 8 CYS O 1 1 2 598 1 1 8 CYS SG S 0.922 -0.100 -0.274 1.00 . A A . 8 CYS SG 1 1 2 599 1 1 9 GLY C C 5.569 -0.632 -1.251 1.00 . A A . 9 GLY C 1 1 2 600 1 1 9 GLY CA C 4.748 -0.123 -2.440 1.00 . A A . 9 GLY CA 1 1 2 601 1 1 9 GLY H H 3.458 0.781 -0.972 1.00 . A A . 9 GLY H 1 1 2 602 1 1 9 GLY HA2 H 4.421 -0.960 -3.042 1.00 . A A . 9 GLY HA2 1 1 2 603 1 1 9 GLY HA3 H 5.358 0.535 -3.041 1.00 . A A . 9 GLY HA3 1 1 2 604 1 1 9 GLY N N 3.557 0.622 -1.934 1.00 . A A . 9 GLY N 1 1 2 605 1 1 9 GLY O O 6.650 -0.141 -0.995 1.00 . A A . 9 GLY O 1 1 2 606 1 1 10 PRO C C 6.920 -3.030 0.208 1.00 . A A . 10 PRO C 1 1 2 607 1 1 10 PRO CA C 5.709 -2.185 0.629 1.00 . A A . 10 PRO CA 1 1 2 608 1 1 10 PRO CB C 4.637 -3.055 1.278 1.00 . A A . 10 PRO CB 1 1 2 609 1 1 10 PRO CD C 3.721 -2.251 -0.804 1.00 . A A . 10 PRO CD 1 1 2 610 1 1 10 PRO CG C 3.694 -3.400 0.170 1.00 . A A . 10 PRO CG 1 1 2 611 1 1 10 PRO HA H 6.010 -1.405 1.311 1.00 . A A . 10 PRO HA 1 1 2 612 1 1 10 PRO HB2 H 5.080 -3.953 1.690 1.00 . A A . 10 PRO HB2 1 1 2 613 1 1 10 PRO HB3 H 4.118 -2.504 2.046 1.00 . A A . 10 PRO HB3 1 1 2 614 1 1 10 PRO HD2 H 3.664 -2.616 -1.819 1.00 . A A . 10 PRO HD2 1 1 2 615 1 1 10 PRO HD3 H 2.919 -1.561 -0.601 1.00 . A A . 10 PRO HD3 1 1 2 616 1 1 10 PRO HG2 H 4.015 -4.310 -0.318 1.00 . A A . 10 PRO HG2 1 1 2 617 1 1 10 PRO HG3 H 2.694 -3.521 0.559 1.00 . A A . 10 PRO HG3 1 1 2 618 1 1 10 PRO N N 5.020 -1.605 -0.555 1.00 . A A . 10 PRO N 1 1 2 619 1 1 10 PRO O O 7.888 -3.138 0.935 1.00 . A A . 10 PRO O 1 1 2 620 1 1 11 LYS C C 9.165 -3.562 -1.957 1.00 . A A . 11 LYS C 1 1 2 621 1 1 11 LYS CA C 8.033 -4.455 -1.424 1.00 . A A . 11 LYS CA 1 1 2 622 1 1 11 LYS CB C 7.466 -5.335 -2.540 1.00 . A A . 11 LYS CB 1 1 2 623 1 1 11 LYS CD C 7.465 -7.696 -3.368 1.00 . A A . 11 LYS CD 1 1 2 624 1 1 11 LYS CE C 8.404 -8.769 -3.926 1.00 . A A . 11 LYS CE 1 1 2 625 1 1 11 LYS CG C 8.286 -6.622 -2.648 1.00 . A A . 11 LYS CG 1 1 2 626 1 1 11 LYS H H 6.090 -3.524 -1.533 1.00 . A A . 11 LYS H 1 1 2 627 1 1 11 LYS HA H 8.395 -5.075 -0.618 1.00 . A A . 11 LYS HA 1 1 2 628 1 1 11 LYS HB2 H 6.438 -5.580 -2.314 1.00 . A A . 11 LYS HB2 1 1 2 629 1 1 11 LYS HB3 H 7.510 -4.802 -3.477 1.00 . A A . 11 LYS HB3 1 1 2 630 1 1 11 LYS HD2 H 6.774 -8.148 -2.671 1.00 . A A . 11 LYS HD2 1 1 2 631 1 1 11 LYS HD3 H 6.915 -7.245 -4.180 1.00 . A A . 11 LYS HD3 1 1 2 632 1 1 11 LYS HE2 H 9.263 -8.307 -4.393 1.00 . A A . 11 LYS HE2 1 1 2 633 1 1 11 LYS HE3 H 8.716 -9.440 -3.141 1.00 . A A . 11 LYS HE3 1 1 2 634 1 1 11 LYS HG2 H 9.190 -6.426 -3.206 1.00 . A A . 11 LYS HG2 1 1 2 635 1 1 11 LYS HG3 H 8.541 -6.972 -1.659 1.00 . A A . 11 LYS HG3 1 1 2 636 1 1 11 LYS HZ1 H 7.970 -9.323 -5.878 1.00 . A A . 11 LYS HZ1 1 1 2 637 1 1 11 LYS HZ3 H 6.616 -9.191 -4.890 1.00 . A A . 11 LYS HZ3 1 1 2 638 1 1 11 LYS N N 6.878 -3.625 -0.960 1.00 . A A . 11 LYS N 1 1 2 639 1 1 11 LYS NZ N 7.595 -9.507 -4.937 1.00 . A A . 11 LYS NZ 1 1 2 640 1 1 11 LYS O O 10.289 -4.005 -2.110 1.00 . A A . 11 LYS O 1 1 2 641 1 1 12 MET C C 10.399 -0.407 -1.680 1.00 . A A . 12 MET C 1 1 2 642 1 1 12 MET CA C 9.942 -1.394 -2.765 1.00 . A A . 12 MET CA 1 1 2 643 1 1 12 MET CB C 9.281 -0.641 -3.923 1.00 . A A . 12 MET CB 1 1 2 644 1 1 12 MET CE C 8.267 0.243 -7.005 1.00 . A A . 12 MET CE 1 1 2 645 1 1 12 MET CG C 9.493 -1.412 -5.227 1.00 . A A . 12 MET CG 1 1 2 646 1 1 12 MET H H 7.971 -1.973 -2.113 1.00 . A A . 12 MET H 1 1 2 647 1 1 12 MET HA H 10.783 -1.961 -3.131 1.00 . A A . 12 MET HA 1 1 2 648 1 1 12 MET HB2 H 8.223 -0.541 -3.729 1.00 . A A . 12 MET HB2 1 1 2 649 1 1 12 MET HB3 H 9.724 0.341 -4.012 1.00 . A A . 12 MET HB3 1 1 2 650 1 1 12 MET HE1 H 7.441 0.907 -6.786 1.00 . A A . 12 MET HE1 1 1 2 651 1 1 12 MET HE2 H 9.187 0.669 -6.629 1.00 . A A . 12 MET HE2 1 1 2 652 1 1 12 MET HE3 H 8.345 0.111 -8.072 1.00 . A A . 12 MET HE3 1 1 2 653 1 1 12 MET HG2 H 10.301 -0.961 -5.784 1.00 . A A . 12 MET HG2 1 1 2 654 1 1 12 MET HG3 H 9.740 -2.440 -5.003 1.00 . A A . 12 MET HG3 1 1 2 655 1 1 12 MET N N 8.882 -2.310 -2.242 1.00 . A A . 12 MET N 1 1 2 656 1 1 12 MET O O 11.538 0.020 -1.670 1.00 . A A . 12 MET O 1 1 2 657 1 1 12 MET SD S 7.975 -1.359 -6.214 1.00 . A A . 12 MET SD 1 1 2 658 1 1 13 ASP C C 9.971 0.238 1.662 1.00 . A A . 13 ASP C 1 1 2 659 1 1 13 ASP CA C 9.914 0.933 0.296 1.00 . A A . 13 ASP CA 1 1 2 660 1 1 13 ASP CB C 8.816 2.000 0.284 1.00 . A A . 13 ASP CB 1 1 2 661 1 1 13 ASP CG C 8.842 2.752 -1.049 1.00 . A A . 13 ASP CG 1 1 2 662 1 1 13 ASP H H 8.607 -0.384 -0.803 1.00 . A A . 13 ASP H 1 1 2 663 1 1 13 ASP HA H 10.866 1.386 0.066 1.00 . A A . 13 ASP HA 1 1 2 664 1 1 13 ASP HB2 H 7.853 1.526 0.411 1.00 . A A . 13 ASP HB2 1 1 2 665 1 1 13 ASP HB3 H 8.983 2.697 1.092 1.00 . A A . 13 ASP HB3 1 1 2 666 1 1 13 ASP N N 9.523 -0.034 -0.776 1.00 . A A . 13 ASP N 1 1 2 667 1 1 13 ASP O O 10.614 0.716 2.578 1.00 . A A . 13 ASP O 1 1 2 668 1 1 13 ASP OD1 O 9.646 3.660 -1.181 1.00 . A A . 13 ASP OD1 1 1 2 669 1 1 13 ASP OD2 O 8.058 2.404 -1.919 1.00 . A A . 13 ASP OD2 1 1 2 670 1 1 14 GLY C C 8.210 -1.017 4.031 1.00 . A A . 14 GLY C 1 1 2 671 1 1 14 GLY CA C 9.305 -1.590 3.121 1.00 . A A . 14 GLY CA 1 1 2 672 1 1 14 GLY H H 8.779 -1.241 1.066 1.00 . A A . 14 GLY H 1 1 2 673 1 1 14 GLY HA2 H 9.122 -2.643 2.954 1.00 . A A . 14 GLY HA2 1 1 2 674 1 1 14 GLY HA3 H 10.265 -1.461 3.595 1.00 . A A . 14 GLY HA3 1 1 2 675 1 1 14 GLY N N 9.297 -0.876 1.812 1.00 . A A . 14 GLY N 1 1 2 676 1 1 14 GLY O O 8.233 -1.217 5.230 1.00 . A A . 14 GLY O 1 1 2 677 1 1 15 VAL C C 4.793 -0.034 3.698 1.00 . A A . 15 VAL C 1 1 2 678 1 1 15 VAL CA C 6.164 0.273 4.318 1.00 . A A . 15 VAL CA 1 1 2 679 1 1 15 VAL CB C 6.423 1.785 4.341 1.00 . A A . 15 VAL CB 1 1 2 680 1 1 15 VAL CG1 C 5.210 2.512 4.939 1.00 . A A . 15 VAL CG1 1 1 2 681 1 1 15 VAL CG2 C 7.657 2.079 5.201 1.00 . A A . 15 VAL CG2 1 1 2 682 1 1 15 VAL H H 7.251 -0.158 2.502 1.00 . A A . 15 VAL H 1 1 2 683 1 1 15 VAL HA H 6.218 -0.122 5.320 1.00 . A A . 15 VAL HA 1 1 2 684 1 1 15 VAL HB H 6.592 2.137 3.333 1.00 . A A . 15 VAL HB 1 1 2 685 1 1 15 VAL HG11 H 4.586 1.802 5.462 1.00 . A A . 15 VAL HG11 1 1 2 686 1 1 15 VAL HG12 H 5.547 3.271 5.630 1.00 . A A . 15 VAL HG12 1 1 2 687 1 1 15 VAL HG13 H 4.640 2.975 4.146 1.00 . A A . 15 VAL HG13 1 1 2 688 1 1 15 VAL HG21 H 7.795 3.147 5.279 1.00 . A A . 15 VAL HG21 1 1 2 689 1 1 15 VAL HG22 H 7.516 1.662 6.187 1.00 . A A . 15 VAL HG22 1 1 2 690 1 1 15 VAL HG23 H 8.529 1.636 4.744 1.00 . A A . 15 VAL HG23 1 1 2 691 1 1 15 VAL N N 7.252 -0.307 3.474 1.00 . A A . 15 VAL N 1 1 2 692 1 1 15 VAL O O 4.462 0.480 2.648 1.00 . A A . 15 VAL O 1 1 2 693 1 1 16 PRO C C 1.695 -0.112 4.253 1.00 . A A . 16 PRO C 1 1 2 694 1 1 16 PRO CA C 2.686 -1.229 3.903 1.00 . A A . 16 PRO CA 1 1 2 695 1 1 16 PRO CB C 2.358 -2.490 4.698 1.00 . A A . 16 PRO CB 1 1 2 696 1 1 16 PRO CD C 4.376 -1.527 5.646 1.00 . A A . 16 PRO CD 1 1 2 697 1 1 16 PRO CG C 3.174 -2.387 5.950 1.00 . A A . 16 PRO CG 1 1 2 698 1 1 16 PRO HA H 2.687 -1.437 2.846 1.00 . A A . 16 PRO HA 1 1 2 699 1 1 16 PRO HB2 H 1.303 -2.520 4.935 1.00 . A A . 16 PRO HB2 1 1 2 700 1 1 16 PRO HB3 H 2.646 -3.370 4.143 1.00 . A A . 16 PRO HB3 1 1 2 701 1 1 16 PRO HD2 H 4.526 -0.798 6.432 1.00 . A A . 16 PRO HD2 1 1 2 702 1 1 16 PRO HD3 H 5.256 -2.137 5.521 1.00 . A A . 16 PRO HD3 1 1 2 703 1 1 16 PRO HG2 H 2.583 -1.929 6.732 1.00 . A A . 16 PRO HG2 1 1 2 704 1 1 16 PRO HG3 H 3.499 -3.367 6.260 1.00 . A A . 16 PRO HG3 1 1 2 705 1 1 16 PRO N N 4.039 -0.861 4.382 1.00 . A A . 16 PRO N 1 1 2 706 1 1 16 PRO O O 2.057 0.873 4.872 1.00 . A A . 16 PRO O 1 1 2 707 1 1 17 CYS C C -0.742 0.844 5.749 1.00 . A A . 17 CYS C 1 1 2 708 1 1 17 CYS CA C -0.556 0.790 4.230 1.00 . A A . 17 CYS CA 1 1 2 709 1 1 17 CYS CB C -1.858 0.359 3.550 1.00 . A A . 17 CYS CB 1 1 2 710 1 1 17 CYS H H 0.171 -1.069 3.401 1.00 . A A . 17 CYS H 1 1 2 711 1 1 17 CYS HA H -0.240 1.749 3.855 1.00 . A A . 17 CYS HA 1 1 2 712 1 1 17 CYS HB2 H -1.635 -0.292 2.720 1.00 . A A . 17 CYS HB2 1 1 2 713 1 1 17 CYS HB3 H -2.479 -0.163 4.262 1.00 . A A . 17 CYS HB3 1 1 2 714 1 1 17 CYS N N 0.448 -0.262 3.886 1.00 . A A . 17 CYS N 1 1 2 715 1 1 17 CYS O O -0.316 -0.046 6.464 1.00 . A A . 17 CYS O 1 1 2 716 1 1 17 CYS SG S -2.734 1.825 2.952 1.00 . A A . 17 CYS SG 1 1 2 717 1 1 18 CYS C C -2.291 0.726 8.261 1.00 . A A . 18 CYS C 1 1 2 718 1 1 18 CYS CA C -1.588 1.985 7.727 1.00 . A A . 18 CYS CA 1 1 2 719 1 1 18 CYS CB C -2.461 3.226 7.920 1.00 . A A . 18 CYS CB 1 1 2 720 1 1 18 CYS H H -1.701 2.584 5.644 1.00 . A A . 18 CYS H 1 1 2 721 1 1 18 CYS HA H -0.646 2.120 8.231 1.00 . A A . 18 CYS HA 1 1 2 722 1 1 18 CYS HB2 H -3.355 3.130 7.328 1.00 . A A . 18 CYS HB2 1 1 2 723 1 1 18 CYS HB3 H -2.724 3.318 8.962 1.00 . A A . 18 CYS HB3 1 1 2 724 1 1 18 CYS N N -1.373 1.878 6.245 1.00 . A A . 18 CYS N 1 1 2 725 1 1 18 CYS O O -2.866 -0.038 7.511 1.00 . A A . 18 CYS O 1 1 2 726 1 1 18 CYS SG S -1.551 4.703 7.400 1.00 . A A . 18 CYS SG 1 1 2 727 1 1 19 GLU C C -4.347 -0.869 9.754 1.00 . A A . 19 GLU C 1 1 2 728 1 1 19 GLU CA C -2.866 -0.723 10.149 1.00 . A A . 19 GLU CA 1 1 2 729 1 1 19 GLU CB C -2.721 -0.555 11.666 1.00 . A A . 19 GLU CB 1 1 2 730 1 1 19 GLU CD C -4.239 -1.705 13.291 1.00 . A A . 19 GLU CD 1 1 2 731 1 1 19 GLU CG C -3.029 -1.882 12.369 1.00 . A A . 19 GLU CG 1 1 2 732 1 1 19 GLU H H -1.743 1.125 10.129 1.00 . A A . 19 GLU H 1 1 2 733 1 1 19 GLU HA H -2.329 -1.599 9.833 1.00 . A A . 19 GLU HA 1 1 2 734 1 1 19 GLU HB2 H -1.710 -0.251 11.899 1.00 . A A . 19 GLU HB2 1 1 2 735 1 1 19 GLU HB3 H -3.409 0.201 12.012 1.00 . A A . 19 GLU HB3 1 1 2 736 1 1 19 GLU HG2 H -3.246 -2.640 11.628 1.00 . A A . 19 GLU HG2 1 1 2 737 1 1 19 GLU HG3 H -2.174 -2.186 12.954 1.00 . A A . 19 GLU HG3 1 1 2 738 1 1 19 GLU N N -2.227 0.498 9.551 1.00 . A A . 19 GLU N 1 1 2 739 1 1 19 GLU O O -4.770 -1.956 9.406 1.00 . A A . 19 GLU O 1 1 2 740 1 1 19 GLU OE1 O -5.340 -1.588 12.775 1.00 . A A . 19 GLU OE1 1 1 2 741 1 1 19 GLU OE2 O -4.044 -1.688 14.497 1.00 . A A . 19 GLU OE2 1 1 2 742 1 1 20 PRO C C -6.743 0.040 7.930 1.00 . A A . 20 PRO C 1 1 2 743 1 1 20 PRO CA C -6.537 0.138 9.455 1.00 . A A . 20 PRO CA 1 1 2 744 1 1 20 PRO CB C -7.107 1.448 9.996 1.00 . A A . 20 PRO CB 1 1 2 745 1 1 20 PRO CD C -4.702 1.567 10.228 1.00 . A A . 20 PRO CD 1 1 2 746 1 1 20 PRO CG C -5.949 2.393 10.046 1.00 . A A . 20 PRO CG 1 1 2 747 1 1 20 PRO HA H -7.008 -0.695 9.951 1.00 . A A . 20 PRO HA 1 1 2 748 1 1 20 PRO HB2 H -7.874 1.824 9.332 1.00 . A A . 20 PRO HB2 1 1 2 749 1 1 20 PRO HB3 H -7.506 1.302 10.987 1.00 . A A . 20 PRO HB3 1 1 2 750 1 1 20 PRO HD2 H -3.911 1.943 9.595 1.00 . A A . 20 PRO HD2 1 1 2 751 1 1 20 PRO HD3 H -4.393 1.568 11.262 1.00 . A A . 20 PRO HD3 1 1 2 752 1 1 20 PRO HG2 H -5.892 2.952 9.123 1.00 . A A . 20 PRO HG2 1 1 2 753 1 1 20 PRO HG3 H -6.061 3.068 10.880 1.00 . A A . 20 PRO HG3 1 1 2 754 1 1 20 PRO N N -5.098 0.210 9.818 1.00 . A A . 20 PRO N 1 1 2 755 1 1 20 PRO O O -7.859 0.134 7.455 1.00 . A A . 20 PRO O 1 1 2 756 1 1 21 TYR C C -4.877 -1.252 5.060 1.00 . A A . 21 TYR C 1 1 2 757 1 1 21 TYR CA C -5.862 -0.241 5.666 1.00 . A A . 21 TYR CA 1 1 2 758 1 1 21 TYR CB C -5.571 1.172 5.141 1.00 . A A . 21 TYR CB 1 1 2 759 1 1 21 TYR CD1 C -7.966 1.974 5.213 1.00 . A A . 21 TYR CD1 1 1 2 760 1 1 21 TYR CD2 C -6.298 3.152 6.521 1.00 . A A . 21 TYR CD2 1 1 2 761 1 1 21 TYR CE1 C -8.951 2.850 5.680 1.00 . A A . 21 TYR CE1 1 1 2 762 1 1 21 TYR CE2 C -7.284 4.026 6.990 1.00 . A A . 21 TYR CE2 1 1 2 763 1 1 21 TYR CG C -6.637 2.125 5.633 1.00 . A A . 21 TYR CG 1 1 2 764 1 1 21 TYR CZ C -8.611 3.875 6.571 1.00 . A A . 21 TYR CZ 1 1 2 765 1 1 21 TYR H H -4.793 -0.226 7.548 1.00 . A A . 21 TYR H 1 1 2 766 1 1 21 TYR HA H -6.876 -0.518 5.423 1.00 . A A . 21 TYR HA 1 1 2 767 1 1 21 TYR HB2 H -4.605 1.497 5.500 1.00 . A A . 21 TYR HB2 1 1 2 768 1 1 21 TYR HB3 H -5.569 1.162 4.062 1.00 . A A . 21 TYR HB3 1 1 2 769 1 1 21 TYR HD1 H -8.229 1.183 4.527 1.00 . A A . 21 TYR HD1 1 1 2 770 1 1 21 TYR HD2 H -5.275 3.269 6.846 1.00 . A A . 21 TYR HD2 1 1 2 771 1 1 21 TYR HE1 H -9.976 2.734 5.357 1.00 . A A . 21 TYR HE1 1 1 2 772 1 1 21 TYR HE2 H -7.021 4.818 7.676 1.00 . A A . 21 TYR HE2 1 1 2 773 1 1 21 TYR HH H -9.942 4.362 7.848 1.00 . A A . 21 TYR HH 1 1 2 774 1 1 21 TYR N N -5.689 -0.147 7.155 1.00 . A A . 21 TYR N 1 1 2 775 1 1 21 TYR O O -3.883 -1.606 5.664 1.00 . A A . 21 TYR O 1 1 2 776 1 1 21 TYR OH O -9.584 4.734 7.038 1.00 . A A . 21 TYR OH 1 1 2 777 1 1 22 THR C C -4.070 -2.350 1.711 1.00 . A A . 22 THR C 1 1 2 778 1 1 22 THR CA C -4.237 -2.697 3.196 1.00 . A A . 22 THR CA 1 1 2 779 1 1 22 THR CB C -4.908 -4.070 3.350 1.00 . A A . 22 THR CB 1 1 2 780 1 1 22 THR CG2 C -4.665 -4.607 4.762 1.00 . A A . 22 THR CG2 1 1 2 781 1 1 22 THR H H -5.959 -1.407 3.396 1.00 . A A . 22 THR H 1 1 2 782 1 1 22 THR HA H -3.275 -2.703 3.686 1.00 . A A . 22 THR HA 1 1 2 783 1 1 22 THR HB H -4.481 -4.756 2.635 1.00 . A A . 22 THR HB 1 1 2 784 1 1 22 THR HG1 H -6.627 -4.807 2.802 1.00 . A A . 22 THR HG1 1 1 2 785 1 1 22 THR HG21 H -4.389 -5.650 4.706 1.00 . A A . 22 THR HG21 1 1 2 786 1 1 22 THR HG22 H -3.869 -4.048 5.230 1.00 . A A . 22 THR HG22 1 1 2 787 1 1 22 THR HG23 H -5.569 -4.506 5.347 1.00 . A A . 22 THR HG23 1 1 2 788 1 1 22 THR N N -5.151 -1.713 3.862 1.00 . A A . 22 THR N 1 1 2 789 1 1 22 THR O O -4.922 -1.720 1.111 1.00 . A A . 22 THR O 1 1 2 790 1 1 22 THR OG1 O -6.308 -3.956 3.115 1.00 . A A . 22 THR OG1 1 1 2 791 1 1 23 CYS C C -3.164 -3.646 -1.203 1.00 . A A . 23 CYS C 1 1 2 792 1 1 23 CYS CA C -2.740 -2.459 -0.328 1.00 . A A . 23 CYS CA 1 1 2 793 1 1 23 CYS CB C -1.232 -2.218 -0.440 1.00 . A A . 23 CYS CB 1 1 2 794 1 1 23 CYS H H -2.309 -3.269 1.626 1.00 . A A . 23 CYS H 1 1 2 795 1 1 23 CYS HA H -3.274 -1.569 -0.619 1.00 . A A . 23 CYS HA 1 1 2 796 1 1 23 CYS HB2 H -0.701 -3.089 -0.086 1.00 . A A . 23 CYS HB2 1 1 2 797 1 1 23 CYS HB3 H -0.973 -2.032 -1.472 1.00 . A A . 23 CYS HB3 1 1 2 798 1 1 23 CYS N N -2.976 -2.760 1.118 1.00 . A A . 23 CYS N 1 1 2 799 1 1 23 CYS O O -3.412 -4.732 -0.714 1.00 . A A . 23 CYS O 1 1 2 800 1 1 23 CYS SG S -0.779 -0.783 0.567 1.00 . A A . 23 CYS SG 1 1 2 801 1 1 24 THR C C -2.441 -5.384 -3.833 1.00 . A A . 24 THR C 1 1 2 802 1 1 24 THR CA C -3.660 -4.553 -3.411 1.00 . A A . 24 THR CA 1 1 2 803 1 1 24 THR CB C -4.290 -3.859 -4.627 1.00 . A A . 24 THR CB 1 1 2 804 1 1 24 THR CG2 C -4.749 -4.909 -5.642 1.00 . A A . 24 THR CG2 1 1 2 805 1 1 24 THR H H -3.045 -2.557 -2.865 1.00 . A A . 24 THR H 1 1 2 806 1 1 24 THR HA H -4.389 -5.181 -2.932 1.00 . A A . 24 THR HA 1 1 2 807 1 1 24 THR HB H -3.559 -3.215 -5.090 1.00 . A A . 24 THR HB 1 1 2 808 1 1 24 THR HG1 H -6.022 -3.664 -3.753 1.00 . A A . 24 THR HG1 1 1 2 809 1 1 24 THR HG21 H -3.938 -5.134 -6.319 1.00 . A A . 24 THR HG21 1 1 2 810 1 1 24 THR HG22 H -5.044 -5.808 -5.123 1.00 . A A . 24 THR HG22 1 1 2 811 1 1 24 THR HG23 H -5.589 -4.525 -6.202 1.00 . A A . 24 THR HG23 1 1 2 812 1 1 24 THR N N -3.249 -3.442 -2.496 1.00 . A A . 24 THR N 1 1 2 813 1 1 24 THR O O -2.473 -6.600 -3.803 1.00 . A A . 24 THR O 1 1 2 814 1 1 24 THR OG1 O -5.407 -3.082 -4.208 1.00 . A A . 24 THR OG1 1 1 2 815 1 1 25 SER C C 1.064 -5.068 -3.829 1.00 . A A . 25 SER C 1 1 2 816 1 1 25 SER CA C -0.156 -5.483 -4.664 1.00 . A A . 25 SER CA 1 1 2 817 1 1 25 SER CB C 0.040 -5.095 -6.130 1.00 . A A . 25 SER CB 1 1 2 818 1 1 25 SER H H -1.384 -3.757 -4.247 1.00 . A A . 25 SER H 1 1 2 819 1 1 25 SER HA H -0.318 -6.546 -4.585 1.00 . A A . 25 SER HA 1 1 2 820 1 1 25 SER HB2 H -0.920 -4.997 -6.610 1.00 . A A . 25 SER HB2 1 1 2 821 1 1 25 SER HB3 H 0.566 -4.152 -6.185 1.00 . A A . 25 SER HB3 1 1 2 822 1 1 25 SER HG H 0.468 -6.178 -7.690 1.00 . A A . 25 SER HG 1 1 2 823 1 1 25 SER N N -1.377 -4.735 -4.229 1.00 . A A . 25 SER N 1 1 2 824 1 1 25 SER O O 0.975 -4.226 -2.954 1.00 . A A . 25 SER O 1 1 2 825 1 1 25 SER OG O 0.789 -6.109 -6.788 1.00 . A A . 25 SER OG 1 1 2 826 1 1 26 ASP C C 4.294 -4.314 -4.138 1.00 . A A . 26 ASP C 1 1 2 827 1 1 26 ASP CA C 3.441 -5.307 -3.339 1.00 . A A . 26 ASP CA 1 1 2 828 1 1 26 ASP CB C 4.184 -6.633 -3.161 1.00 . A A . 26 ASP CB 1 1 2 829 1 1 26 ASP CG C 3.837 -7.234 -1.797 1.00 . A A . 26 ASP CG 1 1 2 830 1 1 26 ASP H H 2.246 -6.327 -4.816 1.00 . A A . 26 ASP H 1 1 2 831 1 1 26 ASP HA H 3.187 -4.895 -2.375 1.00 . A A . 26 ASP HA 1 1 2 832 1 1 26 ASP HB2 H 3.889 -7.318 -3.942 1.00 . A A . 26 ASP HB2 1 1 2 833 1 1 26 ASP HB3 H 5.246 -6.461 -3.216 1.00 . A A . 26 ASP HB3 1 1 2 834 1 1 26 ASP N N 2.203 -5.656 -4.102 1.00 . A A . 26 ASP N 1 1 2 835 1 1 26 ASP O O 4.939 -3.447 -3.577 1.00 . A A . 26 ASP O 1 1 2 836 1 1 26 ASP OD1 O 4.524 -6.916 -0.840 1.00 . A A . 26 ASP OD1 1 1 2 837 1 1 26 ASP OD2 O 2.891 -8.003 -1.732 1.00 . A A . 26 ASP OD2 1 1 2 838 1 1 27 TYR C C 4.307 -2.214 -6.545 1.00 . A A . 27 TYR C 1 1 2 839 1 1 27 TYR CA C 5.102 -3.497 -6.287 1.00 . A A . 27 TYR CA 1 1 2 840 1 1 27 TYR CB C 5.352 -4.249 -7.601 1.00 . A A . 27 TYR CB 1 1 2 841 1 1 27 TYR CD1 C 7.082 -5.772 -6.573 1.00 . A A . 27 TYR CD1 1 1 2 842 1 1 27 TYR CD2 C 7.656 -4.538 -8.579 1.00 . A A . 27 TYR CD2 1 1 2 843 1 1 27 TYR CE1 C 8.359 -6.345 -6.561 1.00 . A A . 27 TYR CE1 1 1 2 844 1 1 27 TYR CE2 C 8.931 -5.112 -8.567 1.00 . A A . 27 TYR CE2 1 1 2 845 1 1 27 TYR CG C 6.730 -4.868 -7.583 1.00 . A A . 27 TYR CG 1 1 2 846 1 1 27 TYR CZ C 9.283 -6.016 -7.558 1.00 . A A . 27 TYR CZ 1 1 2 847 1 1 27 TYR H H 3.767 -5.139 -5.872 1.00 . A A . 27 TYR H 1 1 2 848 1 1 27 TYR HA H 6.037 -3.268 -5.808 1.00 . A A . 27 TYR HA 1 1 2 849 1 1 27 TYR HB2 H 4.612 -5.027 -7.717 1.00 . A A . 27 TYR HB2 1 1 2 850 1 1 27 TYR HB3 H 5.281 -3.558 -8.427 1.00 . A A . 27 TYR HB3 1 1 2 851 1 1 27 TYR HD1 H 6.369 -6.026 -5.803 1.00 . A A . 27 TYR HD1 1 1 2 852 1 1 27 TYR HD2 H 7.385 -3.841 -9.359 1.00 . A A . 27 TYR HD2 1 1 2 853 1 1 27 TYR HE1 H 8.629 -7.043 -5.783 1.00 . A A . 27 TYR HE1 1 1 2 854 1 1 27 TYR HE2 H 9.644 -4.857 -9.337 1.00 . A A . 27 TYR HE2 1 1 2 855 1 1 27 TYR HH H 11.125 -6.000 -7.054 1.00 . A A . 27 TYR HH 1 1 2 856 1 1 27 TYR N N 4.298 -4.433 -5.445 1.00 . A A . 27 TYR N 1 1 2 857 1 1 27 TYR O O 4.657 -1.152 -6.069 1.00 . A A . 27 TYR O 1 1 2 858 1 1 27 TYR OH O 10.542 -6.582 -7.547 1.00 . A A . 27 TYR OH 1 1 2 859 1 1 28 TYR C C 0.921 -1.470 -7.528 1.00 . A A . 28 TYR C 1 1 2 860 1 1 28 TYR CA C 2.408 -1.110 -7.592 1.00 . A A . 28 TYR CA 1 1 2 861 1 1 28 TYR CB C 2.803 -0.688 -9.010 1.00 . A A . 28 TYR CB 1 1 2 862 1 1 28 TYR CD1 C 3.371 1.711 -8.477 1.00 . A A . 28 TYR CD1 1 1 2 863 1 1 28 TYR CD2 C 5.116 0.263 -9.338 1.00 . A A . 28 TYR CD2 1 1 2 864 1 1 28 TYR CE1 C 4.283 2.771 -8.412 1.00 . A A . 28 TYR CE1 1 1 2 865 1 1 28 TYR CE2 C 6.027 1.324 -9.273 1.00 . A A . 28 TYR CE2 1 1 2 866 1 1 28 TYR CG C 3.788 0.456 -8.941 1.00 . A A . 28 TYR CG 1 1 2 867 1 1 28 TYR CZ C 5.611 2.577 -8.810 1.00 . A A . 28 TYR CZ 1 1 2 868 1 1 28 TYR H H 2.983 -3.184 -7.660 1.00 . A A . 28 TYR H 1 1 2 869 1 1 28 TYR HA H 2.631 -0.317 -6.896 1.00 . A A . 28 TYR HA 1 1 2 870 1 1 28 TYR HB2 H 3.256 -1.524 -9.522 1.00 . A A . 28 TYR HB2 1 1 2 871 1 1 28 TYR HB3 H 1.923 -0.370 -9.549 1.00 . A A . 28 TYR HB3 1 1 2 872 1 1 28 TYR HD1 H 2.347 1.861 -8.170 1.00 . A A . 28 TYR HD1 1 1 2 873 1 1 28 TYR HD2 H 5.437 -0.704 -9.696 1.00 . A A . 28 TYR HD2 1 1 2 874 1 1 28 TYR HE1 H 3.961 3.738 -8.054 1.00 . A A . 28 TYR HE1 1 1 2 875 1 1 28 TYR HE2 H 7.052 1.175 -9.581 1.00 . A A . 28 TYR HE2 1 1 2 876 1 1 28 TYR HH H 6.953 3.583 -7.894 1.00 . A A . 28 TYR HH 1 1 2 877 1 1 28 TYR N N 3.239 -2.313 -7.295 1.00 . A A . 28 TYR N 1 1 2 878 1 1 28 TYR O O 0.400 -2.154 -8.390 1.00 . A A . 28 TYR O 1 1 2 879 1 1 28 TYR OH O 6.509 3.623 -8.745 1.00 . A A . 28 TYR OH 1 1 2 880 1 1 29 GLY C C -1.941 -0.090 -5.817 1.00 . A A . 29 GLY C 1 1 2 881 1 1 29 GLY CA C -1.217 -1.316 -6.378 1.00 . A A . 29 GLY CA 1 1 2 882 1 1 29 GLY H H 0.684 -0.463 -5.832 1.00 . A A . 29 GLY H 1 1 2 883 1 1 29 GLY HA2 H -1.624 -1.566 -7.347 1.00 . A A . 29 GLY HA2 1 1 2 884 1 1 29 GLY HA3 H -1.350 -2.148 -5.705 1.00 . A A . 29 GLY HA3 1 1 2 885 1 1 29 GLY N N 0.238 -1.011 -6.512 1.00 . A A . 29 GLY N 1 1 2 886 1 1 29 GLY O O -1.572 1.038 -6.089 1.00 . A A . 29 GLY O 1 1 2 887 1 1 30 ASN C C -4.354 0.445 -3.117 1.00 . A A . 30 ASN C 1 1 2 888 1 1 30 ASN CA C -3.715 0.851 -4.446 1.00 . A A . 30 ASN CA 1 1 2 889 1 1 30 ASN CB C -4.800 1.224 -5.469 1.00 . A A . 30 ASN CB 1 1 2 890 1 1 30 ASN CG C -5.578 -0.027 -5.902 1.00 . A A . 30 ASN CG 1 1 2 891 1 1 30 ASN H H -3.243 -1.219 -4.828 1.00 . A A . 30 ASN H 1 1 2 892 1 1 30 ASN HA H -3.051 1.688 -4.298 1.00 . A A . 30 ASN HA 1 1 2 893 1 1 30 ASN HB2 H -5.484 1.930 -5.018 1.00 . A A . 30 ASN HB2 1 1 2 894 1 1 30 ASN HB3 H -4.338 1.675 -6.332 1.00 . A A . 30 ASN HB3 1 1 2 895 1 1 30 ASN HD21 H -7.058 0.263 -4.608 1.00 . A A . 30 ASN HD21 1 1 2 896 1 1 30 ASN HD22 H -7.212 -1.112 -5.590 1.00 . A A . 30 ASN HD22 1 1 2 897 1 1 30 ASN N N -2.967 -0.301 -5.033 1.00 . A A . 30 ASN N 1 1 2 898 1 1 30 ASN ND2 N -6.710 -0.315 -5.318 1.00 . A A . 30 ASN ND2 1 1 2 899 1 1 30 ASN O O -4.952 -0.609 -2.998 1.00 . A A . 30 ASN O 1 1 2 900 1 1 30 ASN OD1 O -5.151 -0.747 -6.784 1.00 . A A . 30 ASN OD1 1 1 2 901 1 1 31 CYS C C -6.301 1.428 -0.765 1.00 . A A . 31 CYS C 1 1 2 902 1 1 31 CYS CA C -4.842 0.956 -0.795 1.00 . A A . 31 CYS CA 1 1 2 903 1 1 31 CYS CB C -3.998 1.738 0.214 1.00 . A A . 31 CYS CB 1 1 2 904 1 1 31 CYS H H -3.754 2.122 -2.246 1.00 . A A . 31 CYS H 1 1 2 905 1 1 31 CYS HA H -4.778 -0.102 -0.595 1.00 . A A . 31 CYS HA 1 1 2 906 1 1 31 CYS HB2 H -2.953 1.641 -0.040 1.00 . A A . 31 CYS HB2 1 1 2 907 1 1 31 CYS HB3 H -4.279 2.779 0.188 1.00 . A A . 31 CYS HB3 1 1 2 908 1 1 31 CYS N N -4.237 1.277 -2.121 1.00 . A A . 31 CYS N 1 1 2 909 1 1 31 CYS O O -6.735 2.174 -1.623 1.00 . A A . 31 CYS O 1 1 2 910 1 1 31 CYS SG S -4.271 1.082 1.877 1.00 . A A . 31 CYS SG 1 1 2 911 1 1 32 SER C C -9.031 1.253 1.725 1.00 . A A . 32 SER C 1 1 2 912 1 1 32 SER CA C -8.489 1.450 0.303 1.00 . A A . 32 SER CA 1 1 2 913 1 1 32 SER CB C -9.253 0.578 -0.703 1.00 . A A . 32 SER CB 1 1 2 914 1 1 32 SER H H -6.692 0.413 0.902 1.00 . A A . 32 SER H 1 1 2 915 1 1 32 SER HA H -8.571 2.489 0.019 1.00 . A A . 32 SER HA 1 1 2 916 1 1 32 SER HB2 H -10.312 0.744 -0.594 1.00 . A A . 32 SER HB2 1 1 2 917 1 1 32 SER HB3 H -8.954 0.845 -1.708 1.00 . A A . 32 SER HB3 1 1 2 918 1 1 32 SER HG H -9.804 -1.253 -0.330 1.00 . A A . 32 SER HG 1 1 2 919 1 1 32 SER N N -7.060 1.010 0.218 1.00 . A A . 32 SER N 1 1 2 920 1 1 32 SER O O -8.872 0.167 2.261 1.00 . A A . 32 SER O 1 1 2 921 1 1 32 SER OXT O -9.595 2.194 2.256 1.00 . A A . 32 SER OXT 1 1 2 922 1 1 32 SER OG O -8.970 -0.796 -0.461 1.00 . A A . 32 SER OG 1 1 3 923 1 1 1 CYS C C 1.847 4.787 5.652 1.00 . A A . 1 CYS C 1 1 3 924 1 1 1 CYS CA C 2.358 3.965 6.840 1.00 . A A . 1 CYS CA 1 1 3 925 1 1 1 CYS CB C 1.190 3.534 7.736 1.00 . A A . 1 CYS CB 1 1 3 926 1 1 1 CYS H1 H 3.331 5.741 7.313 1.00 . A A . 1 CYS H1 1 1 3 927 1 1 1 CYS H2 H 2.832 4.860 8.656 1.00 . A A . 1 CYS H2 1 1 3 928 1 1 1 CYS H3 H 2.574 6.145 4.647 1.00 . A A . 1 CYS H3 1 1 3 929 1 1 1 CYS HA H 2.889 3.095 6.491 1.00 . A A . 1 CYS HA 1 1 3 930 1 1 1 CYS HB2 H 0.724 2.656 7.313 1.00 . A A . 1 CYS HB2 1 1 3 931 1 1 1 CYS HB3 H 1.563 3.302 8.723 1.00 . A A . 1 CYS HB3 1 1 3 932 1 1 1 CYS N N 3.242 4.796 7.713 1.00 . A A . 1 CYS N 1 1 3 933 1 1 1 CYS O O 2.102 5.973 5.547 1.00 . A A . 1 CYS O 1 1 3 934 1 1 1 CYS SG S -0.027 4.878 7.844 1.00 . A A . 1 CYS SG 1 1 3 935 1 1 2 ILE C C -0.888 5.290 3.837 1.00 . A A . 2 ILE C 1 1 3 936 1 1 2 ILE CA C 0.576 4.904 3.582 1.00 . A A . 2 ILE CA 1 1 3 937 1 1 2 ILE CB C 0.678 3.920 2.410 1.00 . A A . 2 ILE CB 1 1 3 938 1 1 2 ILE CD1 C 2.656 2.388 2.431 1.00 . A A . 2 ILE CD1 1 1 3 939 1 1 2 ILE CG1 C 2.146 3.764 2.000 1.00 . A A . 2 ILE CG1 1 1 3 940 1 1 2 ILE CG2 C -0.124 4.441 1.212 1.00 . A A . 2 ILE CG2 1 1 3 941 1 1 2 ILE H H 0.919 3.211 4.874 1.00 . A A . 2 ILE H 1 1 3 942 1 1 2 ILE HA H 1.171 5.781 3.382 1.00 . A A . 2 ILE HA 1 1 3 943 1 1 2 ILE HB H 0.282 2.962 2.714 1.00 . A A . 2 ILE HB 1 1 3 944 1 1 2 ILE HD11 H 3.668 2.479 2.795 1.00 . A A . 2 ILE HD11 1 1 3 945 1 1 2 ILE HD12 H 2.024 1.999 3.215 1.00 . A A . 2 ILE HD12 1 1 3 946 1 1 2 ILE HD13 H 2.636 1.717 1.586 1.00 . A A . 2 ILE HD13 1 1 3 947 1 1 2 ILE HG12 H 2.232 3.859 0.927 1.00 . A A . 2 ILE HG12 1 1 3 948 1 1 2 ILE HG13 H 2.738 4.530 2.478 1.00 . A A . 2 ILE HG13 1 1 3 949 1 1 2 ILE HG21 H -1.064 4.845 1.554 1.00 . A A . 2 ILE HG21 1 1 3 950 1 1 2 ILE HG22 H 0.439 5.215 0.711 1.00 . A A . 2 ILE HG22 1 1 3 951 1 1 2 ILE HG23 H -0.311 3.630 0.525 1.00 . A A . 2 ILE HG23 1 1 3 952 1 1 2 ILE N N 1.117 4.164 4.763 1.00 . A A . 2 ILE N 1 1 3 953 1 1 2 ILE O O -1.619 4.550 4.469 1.00 . A A . 2 ILE O 1 1 3 954 1 1 3 PRO C C -3.621 6.069 2.634 1.00 . A A . 3 PRO C 1 1 3 955 1 1 3 PRO CA C -2.668 6.910 3.490 1.00 . A A . 3 PRO CA 1 1 3 956 1 1 3 PRO CB C -2.617 8.355 2.999 1.00 . A A . 3 PRO CB 1 1 3 957 1 1 3 PRO CD C -0.454 7.382 2.551 1.00 . A A . 3 PRO CD 1 1 3 958 1 1 3 PRO CG C -1.445 8.409 2.070 1.00 . A A . 3 PRO CG 1 1 3 959 1 1 3 PRO HA H -2.959 6.882 4.527 1.00 . A A . 3 PRO HA 1 1 3 960 1 1 3 PRO HB2 H -3.529 8.602 2.471 1.00 . A A . 3 PRO HB2 1 1 3 961 1 1 3 PRO HB3 H -2.464 9.027 3.826 1.00 . A A . 3 PRO HB3 1 1 3 962 1 1 3 PRO HD2 H 0.013 6.887 1.710 1.00 . A A . 3 PRO HD2 1 1 3 963 1 1 3 PRO HD3 H 0.289 7.837 3.187 1.00 . A A . 3 PRO HD3 1 1 3 964 1 1 3 PRO HG2 H -1.764 8.177 1.063 1.00 . A A . 3 PRO HG2 1 1 3 965 1 1 3 PRO HG3 H -0.995 9.389 2.099 1.00 . A A . 3 PRO HG3 1 1 3 966 1 1 3 PRO N N -1.271 6.434 3.324 1.00 . A A . 3 PRO N 1 1 3 967 1 1 3 PRO O O -3.327 5.745 1.501 1.00 . A A . 3 PRO O 1 1 3 968 1 1 4 LYS C C -6.110 5.579 1.075 1.00 . A A . 4 LYS C 1 1 3 969 1 1 4 LYS CA C -5.732 4.881 2.393 1.00 . A A . 4 LYS CA 1 1 3 970 1 1 4 LYS CB C -6.956 4.722 3.312 1.00 . A A . 4 LYS CB 1 1 3 971 1 1 4 LYS CD C -7.420 6.844 4.574 1.00 . A A . 4 LYS CD 1 1 3 972 1 1 4 LYS CE C -6.974 8.242 4.134 1.00 . A A . 4 LYS CE 1 1 3 973 1 1 4 LYS CG C -7.792 6.011 3.344 1.00 . A A . 4 LYS CG 1 1 3 974 1 1 4 LYS H H -4.965 5.972 4.093 1.00 . A A . 4 LYS H 1 1 3 975 1 1 4 LYS HA H -5.309 3.912 2.187 1.00 . A A . 4 LYS HA 1 1 3 976 1 1 4 LYS HB2 H -7.569 3.911 2.949 1.00 . A A . 4 LYS HB2 1 1 3 977 1 1 4 LYS HB3 H -6.621 4.492 4.312 1.00 . A A . 4 LYS HB3 1 1 3 978 1 1 4 LYS HD2 H -8.280 6.929 5.222 1.00 . A A . 4 LYS HD2 1 1 3 979 1 1 4 LYS HD3 H -6.615 6.362 5.106 1.00 . A A . 4 LYS HD3 1 1 3 980 1 1 4 LYS HE2 H -6.378 8.705 4.908 1.00 . A A . 4 LYS HE2 1 1 3 981 1 1 4 LYS HE3 H -6.416 8.184 3.212 1.00 . A A . 4 LYS HE3 1 1 3 982 1 1 4 LYS HG2 H -7.606 6.588 2.451 1.00 . A A . 4 LYS HG2 1 1 3 983 1 1 4 LYS HG3 H -8.839 5.756 3.392 1.00 . A A . 4 LYS HG3 1 1 3 984 1 1 4 LYS HZ1 H -8.974 8.365 3.588 1.00 . A A . 4 LYS HZ1 1 1 3 985 1 1 4 LYS HZ3 H -8.080 9.739 3.214 1.00 . A A . 4 LYS HZ3 1 1 3 986 1 1 4 LYS N N -4.757 5.708 3.172 1.00 . A A . 4 LYS N 1 1 3 987 1 1 4 LYS NZ N -8.238 9.005 3.919 1.00 . A A . 4 LYS NZ 1 1 3 988 1 1 4 LYS O O -5.965 6.781 0.937 1.00 . A A . 4 LYS O 1 1 3 989 1 1 5 TRP C C -5.789 6.074 -1.909 1.00 . A A . 5 TRP C 1 1 3 990 1 1 5 TRP CA C -6.985 5.403 -1.213 1.00 . A A . 5 TRP CA 1 1 3 991 1 1 5 TRP CB C -8.092 6.413 -0.903 1.00 . A A . 5 TRP CB 1 1 3 992 1 1 5 TRP CD1 C -9.723 4.997 0.399 1.00 . A A . 5 TRP CD1 1 1 3 993 1 1 5 TRP CD2 C -10.464 5.495 -1.661 1.00 . A A . 5 TRP CD2 1 1 3 994 1 1 5 TRP CE2 C -11.467 4.707 -1.049 1.00 . A A . 5 TRP CE2 1 1 3 995 1 1 5 TRP CE3 C -10.679 5.942 -2.974 1.00 . A A . 5 TRP CE3 1 1 3 996 1 1 5 TRP CG C -9.373 5.669 -0.718 1.00 . A A . 5 TRP CG 1 1 3 997 1 1 5 TRP CH2 C -12.843 4.828 -3.025 1.00 . A A . 5 TRP CH2 1 1 3 998 1 1 5 TRP CZ2 C -12.644 4.376 -1.718 1.00 . A A . 5 TRP CZ2 1 1 3 999 1 1 5 TRP CZ3 C -11.863 5.610 -3.653 1.00 . A A . 5 TRP CZ3 1 1 3 1000 1 1 5 TRP H H -6.682 3.860 0.259 1.00 . A A . 5 TRP H 1 1 3 1001 1 1 5 TRP HA H -7.387 4.626 -1.842 1.00 . A A . 5 TRP HA 1 1 3 1002 1 1 5 TRP HB2 H -7.853 6.955 0.000 1.00 . A A . 5 TRP HB2 1 1 3 1003 1 1 5 TRP HB3 H -8.192 7.104 -1.725 1.00 . A A . 5 TRP HB3 1 1 3 1004 1 1 5 TRP HD1 H -9.126 4.920 1.293 1.00 . A A . 5 TRP HD1 1 1 3 1005 1 1 5 TRP HE1 H -11.453 3.893 0.869 1.00 . A A . 5 TRP HE1 1 1 3 1006 1 1 5 TRP HE3 H -9.926 6.541 -3.464 1.00 . A A . 5 TRP HE3 1 1 3 1007 1 1 5 TRP HH2 H -13.751 4.575 -3.551 1.00 . A A . 5 TRP HH2 1 1 3 1008 1 1 5 TRP HZ2 H -13.397 3.775 -1.230 1.00 . A A . 5 TRP HZ2 1 1 3 1009 1 1 5 TRP HZ3 H -12.019 5.959 -4.664 1.00 . A A . 5 TRP HZ3 1 1 3 1010 1 1 5 TRP N N -6.586 4.822 0.112 1.00 . A A . 5 TRP N 1 1 3 1011 1 1 5 TRP NE1 N -10.969 4.429 0.208 1.00 . A A . 5 TRP NE1 1 1 3 1012 1 1 5 TRP O O -5.947 7.030 -2.646 1.00 . A A . 5 TRP O 1 1 3 1013 1 1 6 ASN C C -2.441 5.054 -2.807 1.00 . A A . 6 ASN C 1 1 3 1014 1 1 6 ASN CA C -3.392 6.165 -2.347 1.00 . A A . 6 ASN CA 1 1 3 1015 1 1 6 ASN CB C -2.722 7.021 -1.270 1.00 . A A . 6 ASN CB 1 1 3 1016 1 1 6 ASN CG C -3.362 8.412 -1.236 1.00 . A A . 6 ASN CG 1 1 3 1017 1 1 6 ASN H H -4.496 4.795 -1.102 1.00 . A A . 6 ASN H 1 1 3 1018 1 1 6 ASN HA H -3.681 6.782 -3.184 1.00 . A A . 6 ASN HA 1 1 3 1019 1 1 6 ASN HB2 H -2.842 6.547 -0.311 1.00 . A A . 6 ASN HB2 1 1 3 1020 1 1 6 ASN HB3 H -1.670 7.118 -1.492 1.00 . A A . 6 ASN HB3 1 1 3 1021 1 1 6 ASN HD21 H -4.443 8.036 0.389 1.00 . A A . 6 ASN HD21 1 1 3 1022 1 1 6 ASN HD22 H -4.629 9.592 -0.261 1.00 . A A . 6 ASN HD22 1 1 3 1023 1 1 6 ASN N N -4.597 5.572 -1.691 1.00 . A A . 6 ASN N 1 1 3 1024 1 1 6 ASN ND2 N -4.216 8.704 -0.290 1.00 . A A . 6 ASN ND2 1 1 3 1025 1 1 6 ASN O O -2.498 3.936 -2.328 1.00 . A A . 6 ASN O 1 1 3 1026 1 1 6 ASN OD1 O -3.081 9.244 -2.076 1.00 . A A . 6 ASN OD1 1 1 3 1027 1 1 7 ARG C C 0.333 3.883 -3.087 1.00 . A A . 7 ARG C 1 1 3 1028 1 1 7 ARG CA C -0.595 4.330 -4.223 1.00 . A A . 7 ARG CA 1 1 3 1029 1 1 7 ARG CB C 0.210 5.034 -5.318 1.00 . A A . 7 ARG CB 1 1 3 1030 1 1 7 ARG CD C 0.474 4.372 -7.717 1.00 . A A . 7 ARG CD 1 1 3 1031 1 1 7 ARG CG C -0.508 4.884 -6.661 1.00 . A A . 7 ARG CG 1 1 3 1032 1 1 7 ARG CZ C 1.194 6.421 -8.800 1.00 . A A . 7 ARG CZ 1 1 3 1033 1 1 7 ARG H H -1.537 6.268 -4.094 1.00 . A A . 7 ARG H 1 1 3 1034 1 1 7 ARG HA H -1.122 3.485 -4.637 1.00 . A A . 7 ARG HA 1 1 3 1035 1 1 7 ARG HB2 H 0.307 6.083 -5.075 1.00 . A A . 7 ARG HB2 1 1 3 1036 1 1 7 ARG HB3 H 1.191 4.589 -5.385 1.00 . A A . 7 ARG HB3 1 1 3 1037 1 1 7 ARG HD2 H 0.984 3.488 -7.357 1.00 . A A . 7 ARG HD2 1 1 3 1038 1 1 7 ARG HD3 H -0.042 4.158 -8.640 1.00 . A A . 7 ARG HD3 1 1 3 1039 1 1 7 ARG HG2 H -1.323 4.181 -6.556 1.00 . A A . 7 ARG HG2 1 1 3 1040 1 1 7 ARG HG3 H -0.899 5.842 -6.969 1.00 . A A . 7 ARG HG3 1 1 3 1041 1 1 7 ARG HH11 H 2.074 5.444 -10.314 1.00 . A A . 7 ARG HH11 1 1 3 1042 1 1 7 ARG HH12 H 1.394 6.986 -10.714 1.00 . A A . 7 ARG HH12 1 1 3 1043 1 1 7 ARG HH21 H 0.260 7.616 -7.486 1.00 . A A . 7 ARG HH21 1 1 3 1044 1 1 7 ARG HH22 H 0.362 8.221 -9.107 1.00 . A A . 7 ARG HH22 1 1 3 1045 1 1 7 ARG N N -1.563 5.359 -3.729 1.00 . A A . 7 ARG N 1 1 3 1046 1 1 7 ARG NE N 1.445 5.486 -7.923 1.00 . A A . 7 ARG NE 1 1 3 1047 1 1 7 ARG NH1 N 1.584 6.272 -10.039 1.00 . A A . 7 ARG NH1 1 1 3 1048 1 1 7 ARG NH2 N 0.556 7.504 -8.436 1.00 . A A . 7 ARG NH2 1 1 3 1049 1 1 7 ARG O O 0.750 4.681 -2.267 1.00 . A A . 7 ARG O 1 1 3 1050 1 1 8 CYS C C 2.476 1.001 -2.485 1.00 . A A . 8 CYS C 1 1 3 1051 1 1 8 CYS CA C 1.564 2.114 -1.953 1.00 . A A . 8 CYS CA 1 1 3 1052 1 1 8 CYS CB C 0.627 1.579 -0.863 1.00 . A A . 8 CYS CB 1 1 3 1053 1 1 8 CYS H H 0.313 1.993 -3.709 1.00 . A A . 8 CYS H 1 1 3 1054 1 1 8 CYS HA H 2.157 2.924 -1.558 1.00 . A A . 8 CYS HA 1 1 3 1055 1 1 8 CYS HB2 H 1.204 1.333 0.016 1.00 . A A . 8 CYS HB2 1 1 3 1056 1 1 8 CYS HB3 H -0.101 2.337 -0.614 1.00 . A A . 8 CYS HB3 1 1 3 1057 1 1 8 CYS N N 0.661 2.615 -3.035 1.00 . A A . 8 CYS N 1 1 3 1058 1 1 8 CYS O O 2.149 0.321 -3.440 1.00 . A A . 8 CYS O 1 1 3 1059 1 1 8 CYS SG S -0.227 0.097 -1.453 1.00 . A A . 8 CYS SG 1 1 3 1060 1 1 9 GLY C C 5.463 -0.688 -1.178 1.00 . A A . 9 GLY C 1 1 3 1061 1 1 9 GLY CA C 4.558 -0.254 -2.337 1.00 . A A . 9 GLY CA 1 1 3 1062 1 1 9 GLY H H 3.861 1.374 -1.105 1.00 . A A . 9 GLY H 1 1 3 1063 1 1 9 GLY HA2 H 3.989 -1.103 -2.690 1.00 . A A . 9 GLY HA2 1 1 3 1064 1 1 9 GLY HA3 H 5.168 0.129 -3.141 1.00 . A A . 9 GLY HA3 1 1 3 1065 1 1 9 GLY N N 3.620 0.813 -1.871 1.00 . A A . 9 GLY N 1 1 3 1066 1 1 9 GLY O O 6.553 -0.172 -1.022 1.00 . A A . 9 GLY O 1 1 3 1067 1 1 10 PRO C C 6.942 -3.015 0.301 1.00 . A A . 10 PRO C 1 1 3 1068 1 1 10 PRO CA C 5.761 -2.143 0.760 1.00 . A A . 10 PRO CA 1 1 3 1069 1 1 10 PRO CB C 4.742 -2.967 1.541 1.00 . A A . 10 PRO CB 1 1 3 1070 1 1 10 PRO CD C 3.678 -2.299 -0.525 1.00 . A A . 10 PRO CD 1 1 3 1071 1 1 10 PRO CG C 3.708 -3.367 0.539 1.00 . A A . 10 PRO CG 1 1 3 1072 1 1 10 PRO HA H 6.112 -1.326 1.367 1.00 . A A . 10 PRO HA 1 1 3 1073 1 1 10 PRO HB2 H 5.215 -3.842 1.965 1.00 . A A . 10 PRO HB2 1 1 3 1074 1 1 10 PRO HB3 H 4.292 -2.369 2.317 1.00 . A A . 10 PRO HB3 1 1 3 1075 1 1 10 PRO HD2 H 3.572 -2.745 -1.504 1.00 . A A . 10 PRO HD2 1 1 3 1076 1 1 10 PRO HD3 H 2.881 -1.597 -0.337 1.00 . A A . 10 PRO HD3 1 1 3 1077 1 1 10 PRO HG2 H 3.969 -4.321 0.101 1.00 . A A . 10 PRO HG2 1 1 3 1078 1 1 10 PRO HG3 H 2.741 -3.431 1.014 1.00 . A A . 10 PRO HG3 1 1 3 1079 1 1 10 PRO N N 4.981 -1.631 -0.401 1.00 . A A . 10 PRO N 1 1 3 1080 1 1 10 PRO O O 7.931 -3.132 0.997 1.00 . A A . 10 PRO O 1 1 3 1081 1 1 11 LYS C C 9.134 -3.592 -1.865 1.00 . A A . 11 LYS C 1 1 3 1082 1 1 11 LYS CA C 7.986 -4.474 -1.348 1.00 . A A . 11 LYS CA 1 1 3 1083 1 1 11 LYS CB C 7.409 -5.316 -2.492 1.00 . A A . 11 LYS CB 1 1 3 1084 1 1 11 LYS CD C 8.860 -7.298 -1.995 1.00 . A A . 11 LYS CD 1 1 3 1085 1 1 11 LYS CE C 8.912 -8.799 -2.295 1.00 . A A . 11 LYS CE 1 1 3 1086 1 1 11 LYS CG C 7.415 -6.799 -2.103 1.00 . A A . 11 LYS CG 1 1 3 1087 1 1 11 LYS H H 6.050 -3.514 -1.411 1.00 . A A . 11 LYS H 1 1 3 1088 1 1 11 LYS HA H 8.337 -5.119 -0.558 1.00 . A A . 11 LYS HA 1 1 3 1089 1 1 11 LYS HB2 H 6.394 -5.002 -2.693 1.00 . A A . 11 LYS HB2 1 1 3 1090 1 1 11 LYS HB3 H 8.008 -5.177 -3.379 1.00 . A A . 11 LYS HB3 1 1 3 1091 1 1 11 LYS HD2 H 9.478 -6.766 -2.705 1.00 . A A . 11 LYS HD2 1 1 3 1092 1 1 11 LYS HD3 H 9.226 -7.120 -0.996 1.00 . A A . 11 LYS HD3 1 1 3 1093 1 1 11 LYS HE2 H 8.541 -9.362 -1.448 1.00 . A A . 11 LYS HE2 1 1 3 1094 1 1 11 LYS HE3 H 8.338 -9.028 -3.180 1.00 . A A . 11 LYS HE3 1 1 3 1095 1 1 11 LYS HG2 H 6.919 -6.923 -1.151 1.00 . A A . 11 LYS HG2 1 1 3 1096 1 1 11 LYS HG3 H 6.896 -7.371 -2.857 1.00 . A A . 11 LYS HG3 1 1 3 1097 1 1 11 LYS HZ1 H 10.574 -10.035 -2.165 1.00 . A A . 11 LYS HZ1 1 1 3 1098 1 1 11 LYS HZ3 H 10.932 -8.397 -2.042 1.00 . A A . 11 LYS HZ3 1 1 3 1099 1 1 11 LYS N N 6.854 -3.623 -0.860 1.00 . A A . 11 LYS N 1 1 3 1100 1 1 11 LYS NZ N 10.354 -9.097 -2.528 1.00 . A A . 11 LYS NZ 1 1 3 1101 1 1 11 LYS O O 10.277 -4.008 -1.895 1.00 . A A . 11 LYS O 1 1 3 1102 1 1 12 MET C C 10.249 -0.381 -1.769 1.00 . A A . 12 MET C 1 1 3 1103 1 1 12 MET CA C 9.902 -1.472 -2.797 1.00 . A A . 12 MET CA 1 1 3 1104 1 1 12 MET CB C 9.302 -0.846 -4.060 1.00 . A A . 12 MET CB 1 1 3 1105 1 1 12 MET CE C 10.835 0.116 -7.587 1.00 . A A . 12 MET CE 1 1 3 1106 1 1 12 MET CG C 10.203 -1.144 -5.263 1.00 . A A . 12 MET CG 1 1 3 1107 1 1 12 MET H H 7.905 -2.070 -2.244 1.00 . A A . 12 MET H 1 1 3 1108 1 1 12 MET HA H 10.783 -2.037 -3.054 1.00 . A A . 12 MET HA 1 1 3 1109 1 1 12 MET HB2 H 8.321 -1.259 -4.236 1.00 . A A . 12 MET HB2 1 1 3 1110 1 1 12 MET HB3 H 9.224 0.223 -3.930 1.00 . A A . 12 MET HB3 1 1 3 1111 1 1 12 MET HE1 H 11.780 -0.216 -7.993 1.00 . A A . 12 MET HE1 1 1 3 1112 1 1 12 MET HE2 H 10.083 -0.634 -7.770 1.00 . A A . 12 MET HE2 1 1 3 1113 1 1 12 MET HE3 H 10.540 1.043 -8.062 1.00 . A A . 12 MET HE3 1 1 3 1114 1 1 12 MET HG2 H 10.954 -1.866 -4.981 1.00 . A A . 12 MET HG2 1 1 3 1115 1 1 12 MET HG3 H 9.606 -1.543 -6.069 1.00 . A A . 12 MET HG3 1 1 3 1116 1 1 12 MET N N 8.835 -2.382 -2.275 1.00 . A A . 12 MET N 1 1 3 1117 1 1 12 MET O O 11.341 0.155 -1.780 1.00 . A A . 12 MET O 1 1 3 1118 1 1 12 MET SD S 11.007 0.384 -5.806 1.00 . A A . 12 MET SD 1 1 3 1119 1 1 13 ASP C C 9.784 0.397 1.526 1.00 . A A . 13 ASP C 1 1 3 1120 1 1 13 ASP CA C 9.624 1.014 0.129 1.00 . A A . 13 ASP CA 1 1 3 1121 1 1 13 ASP CB C 8.405 1.940 0.086 1.00 . A A . 13 ASP CB 1 1 3 1122 1 1 13 ASP CG C 8.738 3.265 0.777 1.00 . A A . 13 ASP CG 1 1 3 1123 1 1 13 ASP H H 8.458 -0.484 -0.892 1.00 . A A . 13 ASP H 1 1 3 1124 1 1 13 ASP HA H 10.512 1.564 -0.142 1.00 . A A . 13 ASP HA 1 1 3 1125 1 1 13 ASP HB2 H 8.136 2.129 -0.944 1.00 . A A . 13 ASP HB2 1 1 3 1126 1 1 13 ASP HB3 H 7.576 1.469 0.592 1.00 . A A . 13 ASP HB3 1 1 3 1127 1 1 13 ASP N N 9.336 -0.043 -0.888 1.00 . A A . 13 ASP N 1 1 3 1128 1 1 13 ASP O O 10.320 1.019 2.424 1.00 . A A . 13 ASP O 1 1 3 1129 1 1 13 ASP OD1 O 8.535 3.351 1.978 1.00 . A A . 13 ASP OD1 1 1 3 1130 1 1 13 ASP OD2 O 9.183 4.172 0.094 1.00 . A A . 13 ASP OD2 1 1 3 1131 1 1 14 GLY C C 8.335 -0.950 3.992 1.00 . A A . 14 GLY C 1 1 3 1132 1 1 14 GLY CA C 9.440 -1.463 3.057 1.00 . A A . 14 GLY CA 1 1 3 1133 1 1 14 GLY H H 8.888 -1.296 0.984 1.00 . A A . 14 GLY H 1 1 3 1134 1 1 14 GLY HA2 H 9.349 -2.534 2.946 1.00 . A A . 14 GLY HA2 1 1 3 1135 1 1 14 GLY HA3 H 10.403 -1.227 3.484 1.00 . A A . 14 GLY HA3 1 1 3 1136 1 1 14 GLY N N 9.321 -0.814 1.718 1.00 . A A . 14 GLY N 1 1 3 1137 1 1 14 GLY O O 8.348 -1.224 5.177 1.00 . A A . 14 GLY O 1 1 3 1138 1 1 15 VAL C C 4.909 -0.079 3.789 1.00 . A A . 15 VAL C 1 1 3 1139 1 1 15 VAL CA C 6.281 0.309 4.354 1.00 . A A . 15 VAL CA 1 1 3 1140 1 1 15 VAL CB C 6.445 1.835 4.364 1.00 . A A . 15 VAL CB 1 1 3 1141 1 1 15 VAL CG1 C 5.244 2.479 5.069 1.00 . A A . 15 VAL CG1 1 1 3 1142 1 1 15 VAL CG2 C 7.727 2.208 5.116 1.00 . A A . 15 VAL CG2 1 1 3 1143 1 1 15 VAL H H 7.377 0.003 2.516 1.00 . A A . 15 VAL H 1 1 3 1144 1 1 15 VAL HA H 6.394 -0.074 5.357 1.00 . A A . 15 VAL HA 1 1 3 1145 1 1 15 VAL HB H 6.503 2.196 3.348 1.00 . A A . 15 VAL HB 1 1 3 1146 1 1 15 VAL HG11 H 4.331 2.167 4.585 1.00 . A A . 15 VAL HG11 1 1 3 1147 1 1 15 VAL HG12 H 5.226 2.169 6.104 1.00 . A A . 15 VAL HG12 1 1 3 1148 1 1 15 VAL HG13 H 5.329 3.554 5.017 1.00 . A A . 15 VAL HG13 1 1 3 1149 1 1 15 VAL HG21 H 7.573 3.133 5.654 1.00 . A A . 15 VAL HG21 1 1 3 1150 1 1 15 VAL HG22 H 7.978 1.424 5.815 1.00 . A A . 15 VAL HG22 1 1 3 1151 1 1 15 VAL HG23 H 8.535 2.334 4.410 1.00 . A A . 15 VAL HG23 1 1 3 1152 1 1 15 VAL N N 7.377 -0.210 3.476 1.00 . A A . 15 VAL N 1 1 3 1153 1 1 15 VAL O O 4.543 0.344 2.710 1.00 . A A . 15 VAL O 1 1 3 1154 1 1 16 PRO C C 1.811 -0.203 4.454 1.00 . A A . 16 PRO C 1 1 3 1155 1 1 16 PRO CA C 2.831 -1.302 4.131 1.00 . A A . 16 PRO CA 1 1 3 1156 1 1 16 PRO CB C 2.567 -2.524 5.005 1.00 . A A . 16 PRO CB 1 1 3 1157 1 1 16 PRO CD C 4.569 -1.434 5.849 1.00 . A A . 16 PRO CD 1 1 3 1158 1 1 16 PRO CG C 3.411 -2.322 6.228 1.00 . A A . 16 PRO CG 1 1 3 1159 1 1 16 PRO HA H 2.808 -1.568 3.088 1.00 . A A . 16 PRO HA 1 1 3 1160 1 1 16 PRO HB2 H 1.520 -2.574 5.271 1.00 . A A . 16 PRO HB2 1 1 3 1161 1 1 16 PRO HB3 H 2.870 -3.424 4.492 1.00 . A A . 16 PRO HB3 1 1 3 1162 1 1 16 PRO HD2 H 4.698 -0.651 6.584 1.00 . A A . 16 PRO HD2 1 1 3 1163 1 1 16 PRO HD3 H 5.474 -2.014 5.751 1.00 . A A . 16 PRO HD3 1 1 3 1164 1 1 16 PRO HG2 H 2.822 -1.845 7.001 1.00 . A A . 16 PRO HG2 1 1 3 1165 1 1 16 PRO HG3 H 3.781 -3.271 6.582 1.00 . A A . 16 PRO HG3 1 1 3 1166 1 1 16 PRO N N 4.188 -0.868 4.549 1.00 . A A . 16 PRO N 1 1 3 1167 1 1 16 PRO O O 2.095 0.707 5.212 1.00 . A A . 16 PRO O 1 1 3 1168 1 1 17 CYS C C -0.682 0.741 5.743 1.00 . A A . 17 CYS C 1 1 3 1169 1 1 17 CYS CA C -0.415 0.747 4.232 1.00 . A A . 17 CYS CA 1 1 3 1170 1 1 17 CYS CB C -1.670 0.341 3.454 1.00 . A A . 17 CYS CB 1 1 3 1171 1 1 17 CYS H H 0.397 -1.039 3.319 1.00 . A A . 17 CYS H 1 1 3 1172 1 1 17 CYS HA H -0.081 1.720 3.916 1.00 . A A . 17 CYS HA 1 1 3 1173 1 1 17 CYS HB2 H -1.387 -0.244 2.592 1.00 . A A . 17 CYS HB2 1 1 3 1174 1 1 17 CYS HB3 H -2.317 -0.245 4.090 1.00 . A A . 17 CYS HB3 1 1 3 1175 1 1 17 CYS N N 0.618 -0.289 3.913 1.00 . A A . 17 CYS N 1 1 3 1176 1 1 17 CYS O O -0.265 -0.162 6.447 1.00 . A A . 17 CYS O 1 1 3 1177 1 1 17 CYS SG S -2.546 1.828 2.909 1.00 . A A . 17 CYS SG 1 1 3 1178 1 1 18 CYS C C -2.388 0.522 8.178 1.00 . A A . 18 CYS C 1 1 3 1179 1 1 18 CYS CA C -1.623 1.778 7.727 1.00 . A A . 18 CYS CA 1 1 3 1180 1 1 18 CYS CB C -2.443 3.045 7.963 1.00 . A A . 18 CYS CB 1 1 3 1181 1 1 18 CYS H H -1.674 2.466 5.668 1.00 . A A . 18 CYS H 1 1 3 1182 1 1 18 CYS HA H -0.691 1.848 8.264 1.00 . A A . 18 CYS HA 1 1 3 1183 1 1 18 CYS HB2 H -2.641 3.530 7.018 1.00 . A A . 18 CYS HB2 1 1 3 1184 1 1 18 CYS HB3 H -3.376 2.792 8.441 1.00 . A A . 18 CYS HB3 1 1 3 1185 1 1 18 CYS N N -1.356 1.740 6.252 1.00 . A A . 18 CYS N 1 1 3 1186 1 1 18 CYS O O -2.998 -0.167 7.382 1.00 . A A . 18 CYS O 1 1 3 1187 1 1 18 CYS SG S -1.500 4.163 9.031 1.00 . A A . 18 CYS SG 1 1 3 1188 1 1 19 GLU C C -4.508 -1.061 9.582 1.00 . A A . 19 GLU C 1 1 3 1189 1 1 19 GLU CA C -3.023 -1.009 9.984 1.00 . A A . 19 GLU CA 1 1 3 1190 1 1 19 GLU CB C -2.872 -0.928 11.507 1.00 . A A . 19 GLU CB 1 1 3 1191 1 1 19 GLU CD C -3.531 -2.083 13.624 1.00 . A A . 19 GLU CD 1 1 3 1192 1 1 19 GLU CG C -3.228 -2.278 12.136 1.00 . A A . 19 GLU CG 1 1 3 1193 1 1 19 GLU H H -1.816 0.780 10.065 1.00 . A A . 19 GLU H 1 1 3 1194 1 1 19 GLU HA H -2.527 -1.890 9.620 1.00 . A A . 19 GLU HA 1 1 3 1195 1 1 19 GLU HB2 H -1.852 -0.674 11.753 1.00 . A A . 19 GLU HB2 1 1 3 1196 1 1 19 GLU HB3 H -3.535 -0.168 11.893 1.00 . A A . 19 GLU HB3 1 1 3 1197 1 1 19 GLU HG2 H -4.096 -2.689 11.642 1.00 . A A . 19 GLU HG2 1 1 3 1198 1 1 19 GLU HG3 H -2.395 -2.958 12.027 1.00 . A A . 19 GLU HG3 1 1 3 1199 1 1 19 GLU N N -2.332 0.212 9.453 1.00 . A A . 19 GLU N 1 1 3 1200 1 1 19 GLU O O -4.970 -2.090 9.128 1.00 . A A . 19 GLU O 1 1 3 1201 1 1 19 GLU OE1 O -4.603 -1.587 13.931 1.00 . A A . 19 GLU OE1 1 1 3 1202 1 1 19 GLU OE2 O -2.686 -2.434 14.432 1.00 . A A . 19 GLU OE2 1 1 3 1203 1 1 20 PRO C C -6.865 0.002 7.851 1.00 . A A . 20 PRO C 1 1 3 1204 1 1 20 PRO CA C -6.660 0.061 9.380 1.00 . A A . 20 PRO CA 1 1 3 1205 1 1 20 PRO CB C -7.152 1.393 9.943 1.00 . A A . 20 PRO CB 1 1 3 1206 1 1 20 PRO CD C -4.770 1.333 10.286 1.00 . A A . 20 PRO CD 1 1 3 1207 1 1 20 PRO CG C -5.933 2.252 10.026 1.00 . A A . 20 PRO CG 1 1 3 1208 1 1 20 PRO HA H -7.181 -0.751 9.860 1.00 . A A . 20 PRO HA 1 1 3 1209 1 1 20 PRO HB2 H -7.880 1.833 9.276 1.00 . A A . 20 PRO HB2 1 1 3 1210 1 1 20 PRO HB3 H -7.573 1.254 10.926 1.00 . A A . 20 PRO HB3 1 1 3 1211 1 1 20 PRO HD2 H -3.892 1.684 9.764 1.00 . A A . 20 PRO HD2 1 1 3 1212 1 1 20 PRO HD3 H -4.578 1.252 11.344 1.00 . A A . 20 PRO HD3 1 1 3 1213 1 1 20 PRO HG2 H -5.789 2.778 9.092 1.00 . A A . 20 PRO HG2 1 1 3 1214 1 1 20 PRO HG3 H -6.029 2.954 10.838 1.00 . A A . 20 PRO HG3 1 1 3 1215 1 1 20 PRO N N -5.217 0.037 9.749 1.00 . A A . 20 PRO N 1 1 3 1216 1 1 20 PRO O O -7.983 0.073 7.378 1.00 . A A . 20 PRO O 1 1 3 1217 1 1 21 TYR C C -5.089 -1.290 4.981 1.00 . A A . 21 TYR C 1 1 3 1218 1 1 21 TYR CA C -5.979 -0.192 5.582 1.00 . A A . 21 TYR CA 1 1 3 1219 1 1 21 TYR CB C -5.550 1.187 5.063 1.00 . A A . 21 TYR CB 1 1 3 1220 1 1 21 TYR CD1 C -7.793 2.303 5.394 1.00 . A A . 21 TYR CD1 1 1 3 1221 1 1 21 TYR CD2 C -5.851 3.226 6.515 1.00 . A A . 21 TYR CD2 1 1 3 1222 1 1 21 TYR CE1 C -8.594 3.301 5.958 1.00 . A A . 21 TYR CE1 1 1 3 1223 1 1 21 TYR CE2 C -6.652 4.226 7.079 1.00 . A A . 21 TYR CE2 1 1 3 1224 1 1 21 TYR CG C -6.421 2.264 5.673 1.00 . A A . 21 TYR CG 1 1 3 1225 1 1 21 TYR CZ C -8.024 4.264 6.801 1.00 . A A . 21 TYR CZ 1 1 3 1226 1 1 21 TYR H H -4.908 -0.191 7.464 1.00 . A A . 21 TYR H 1 1 3 1227 1 1 21 TYR HA H -7.013 -0.371 5.331 1.00 . A A . 21 TYR HA 1 1 3 1228 1 1 21 TYR HB2 H -4.518 1.367 5.329 1.00 . A A . 21 TYR HB2 1 1 3 1229 1 1 21 TYR HB3 H -5.653 1.211 3.989 1.00 . A A . 21 TYR HB3 1 1 3 1230 1 1 21 TYR HD1 H -8.232 1.560 4.743 1.00 . A A . 21 TYR HD1 1 1 3 1231 1 1 21 TYR HD2 H -4.793 3.196 6.730 1.00 . A A . 21 TYR HD2 1 1 3 1232 1 1 21 TYR HE1 H -9.651 3.331 5.743 1.00 . A A . 21 TYR HE1 1 1 3 1233 1 1 21 TYR HE2 H -6.212 4.966 7.728 1.00 . A A . 21 TYR HE2 1 1 3 1234 1 1 21 TYR HH H -8.960 5.923 6.690 1.00 . A A . 21 TYR HH 1 1 3 1235 1 1 21 TYR N N -5.808 -0.130 7.073 1.00 . A A . 21 TYR N 1 1 3 1236 1 1 21 TYR O O -4.229 -1.837 5.646 1.00 . A A . 21 TYR O 1 1 3 1237 1 1 21 TYR OH O -8.814 5.250 7.357 1.00 . A A . 21 TYR OH 1 1 3 1238 1 1 22 THR C C -4.166 -2.320 1.611 1.00 . A A . 22 THR C 1 1 3 1239 1 1 22 THR CA C -4.465 -2.681 3.071 1.00 . A A . 22 THR CA 1 1 3 1240 1 1 22 THR CB C -5.310 -3.961 3.134 1.00 . A A . 22 THR CB 1 1 3 1241 1 1 22 THR CG2 C -5.302 -4.521 4.558 1.00 . A A . 22 THR CG2 1 1 3 1242 1 1 22 THR H H -5.995 -1.162 3.209 1.00 . A A . 22 THR H 1 1 3 1243 1 1 22 THR HA H -3.544 -2.824 3.616 1.00 . A A . 22 THR HA 1 1 3 1244 1 1 22 THR HB H -4.890 -4.696 2.464 1.00 . A A . 22 THR HB 1 1 3 1245 1 1 22 THR HG1 H -6.798 -4.064 1.878 1.00 . A A . 22 THR HG1 1 1 3 1246 1 1 22 THR HG21 H -5.297 -5.600 4.521 1.00 . A A . 22 THR HG21 1 1 3 1247 1 1 22 THR HG22 H -4.419 -4.175 5.077 1.00 . A A . 22 THR HG22 1 1 3 1248 1 1 22 THR HG23 H -6.182 -4.181 5.083 1.00 . A A . 22 THR HG23 1 1 3 1249 1 1 22 THR N N -5.295 -1.616 3.724 1.00 . A A . 22 THR N 1 1 3 1250 1 1 22 THR O O -4.903 -1.589 0.976 1.00 . A A . 22 THR O 1 1 3 1251 1 1 22 THR OG1 O -6.649 -3.673 2.743 1.00 . A A . 22 THR OG1 1 1 3 1252 1 1 23 CYS C C -3.271 -3.615 -1.288 1.00 . A A . 23 CYS C 1 1 3 1253 1 1 23 CYS CA C -2.721 -2.540 -0.344 1.00 . A A . 23 CYS CA 1 1 3 1254 1 1 23 CYS CB C -1.191 -2.553 -0.371 1.00 . A A . 23 CYS CB 1 1 3 1255 1 1 23 CYS H H -2.515 -3.427 1.613 1.00 . A A . 23 CYS H 1 1 3 1256 1 1 23 CYS HA H -3.083 -1.566 -0.631 1.00 . A A . 23 CYS HA 1 1 3 1257 1 1 23 CYS HB2 H -0.826 -3.348 0.263 1.00 . A A . 23 CYS HB2 1 1 3 1258 1 1 23 CYS HB3 H -0.850 -2.715 -1.383 1.00 . A A . 23 CYS HB3 1 1 3 1259 1 1 23 CYS N N -3.087 -2.837 1.077 1.00 . A A . 23 CYS N 1 1 3 1260 1 1 23 CYS O O -3.783 -4.633 -0.859 1.00 . A A . 23 CYS O 1 1 3 1261 1 1 23 CYS SG S -0.565 -0.967 0.228 1.00 . A A . 23 CYS SG 1 1 3 1262 1 1 24 THR C C -2.503 -5.262 -4.066 1.00 . A A . 24 THR C 1 1 3 1263 1 1 24 THR CA C -3.663 -4.395 -3.565 1.00 . A A . 24 THR CA 1 1 3 1264 1 1 24 THR CB C -4.256 -3.569 -4.714 1.00 . A A . 24 THR CB 1 1 3 1265 1 1 24 THR CG2 C -4.897 -4.504 -5.743 1.00 . A A . 24 THR CG2 1 1 3 1266 1 1 24 THR H H -2.737 -2.568 -2.891 1.00 . A A . 24 THR H 1 1 3 1267 1 1 24 THR HA H -4.426 -5.010 -3.121 1.00 . A A . 24 THR HA 1 1 3 1268 1 1 24 THR HB H -3.473 -3.001 -5.192 1.00 . A A . 24 THR HB 1 1 3 1269 1 1 24 THR HG1 H -5.737 -3.132 -3.520 1.00 . A A . 24 THR HG1 1 1 3 1270 1 1 24 THR HG21 H -4.138 -5.142 -6.171 1.00 . A A . 24 THR HG21 1 1 3 1271 1 1 24 THR HG22 H -5.648 -5.111 -5.259 1.00 . A A . 24 THR HG22 1 1 3 1272 1 1 24 THR HG23 H -5.357 -3.918 -6.525 1.00 . A A . 24 THR HG23 1 1 3 1273 1 1 24 THR N N -3.160 -3.394 -2.575 1.00 . A A . 24 THR N 1 1 3 1274 1 1 24 THR O O -2.642 -6.458 -4.239 1.00 . A A . 24 THR O 1 1 3 1275 1 1 24 THR OG1 O -5.242 -2.676 -4.207 1.00 . A A . 24 THR OG1 1 1 3 1276 1 1 25 SER C C 1.039 -5.149 -3.891 1.00 . A A . 25 SER C 1 1 3 1277 1 1 25 SER CA C -0.180 -5.437 -4.780 1.00 . A A . 25 SER CA 1 1 3 1278 1 1 25 SER CB C 0.062 -4.935 -6.204 1.00 . A A . 25 SER CB 1 1 3 1279 1 1 25 SER H H -1.282 -3.699 -4.142 1.00 . A A . 25 SER H 1 1 3 1280 1 1 25 SER HA H -0.398 -6.494 -4.792 1.00 . A A . 25 SER HA 1 1 3 1281 1 1 25 SER HB2 H 0.152 -3.862 -6.199 1.00 . A A . 25 SER HB2 1 1 3 1282 1 1 25 SER HB3 H 0.978 -5.368 -6.585 1.00 . A A . 25 SER HB3 1 1 3 1283 1 1 25 SER HG H -0.681 -5.645 -7.858 1.00 . A A . 25 SER HG 1 1 3 1284 1 1 25 SER N N -1.363 -4.663 -4.295 1.00 . A A . 25 SER N 1 1 3 1285 1 1 25 SER O O 0.931 -4.491 -2.873 1.00 . A A . 25 SER O 1 1 3 1286 1 1 25 SER OG O -1.032 -5.310 -7.031 1.00 . A A . 25 SER OG 1 1 3 1287 1 1 26 ASP C C 4.317 -4.343 -4.110 1.00 . A A . 26 ASP C 1 1 3 1288 1 1 26 ASP CA C 3.422 -5.395 -3.445 1.00 . A A . 26 ASP CA 1 1 3 1289 1 1 26 ASP CB C 4.135 -6.746 -3.383 1.00 . A A . 26 ASP CB 1 1 3 1290 1 1 26 ASP CG C 3.406 -7.663 -2.398 1.00 . A A . 26 ASP CG 1 1 3 1291 1 1 26 ASP H H 2.257 -6.167 -5.092 1.00 . A A . 26 ASP H 1 1 3 1292 1 1 26 ASP HA H 3.149 -5.079 -2.449 1.00 . A A . 26 ASP HA 1 1 3 1293 1 1 26 ASP HB2 H 4.139 -7.199 -4.364 1.00 . A A . 26 ASP HB2 1 1 3 1294 1 1 26 ASP HB3 H 5.150 -6.601 -3.050 1.00 . A A . 26 ASP HB3 1 1 3 1295 1 1 26 ASP N N 2.194 -5.638 -4.267 1.00 . A A . 26 ASP N 1 1 3 1296 1 1 26 ASP O O 4.780 -3.419 -3.468 1.00 . A A . 26 ASP O 1 1 3 1297 1 1 26 ASP OD1 O 2.481 -8.339 -2.819 1.00 . A A . 26 ASP OD1 1 1 3 1298 1 1 26 ASP OD2 O 3.782 -7.670 -1.238 1.00 . A A . 26 ASP OD2 1 1 3 1299 1 1 27 TYR C C 4.607 -2.255 -6.498 1.00 . A A . 27 TYR C 1 1 3 1300 1 1 27 TYR CA C 5.435 -3.483 -6.097 1.00 . A A . 27 TYR CA 1 1 3 1301 1 1 27 TYR CB C 5.967 -4.216 -7.333 1.00 . A A . 27 TYR CB 1 1 3 1302 1 1 27 TYR CD1 C 8.239 -4.918 -6.483 1.00 . A A . 27 TYR CD1 1 1 3 1303 1 1 27 TYR CD2 C 6.579 -6.632 -6.923 1.00 . A A . 27 TYR CD2 1 1 3 1304 1 1 27 TYR CE1 C 9.149 -5.904 -6.082 1.00 . A A . 27 TYR CE1 1 1 3 1305 1 1 27 TYR CE2 C 7.490 -7.617 -6.523 1.00 . A A . 27 TYR CE2 1 1 3 1306 1 1 27 TYR CG C 6.953 -5.282 -6.904 1.00 . A A . 27 TYR CG 1 1 3 1307 1 1 27 TYR CZ C 8.776 -7.253 -6.102 1.00 . A A . 27 TYR CZ 1 1 3 1308 1 1 27 TYR H H 4.183 -5.230 -5.886 1.00 . A A . 27 TYR H 1 1 3 1309 1 1 27 TYR HA H 6.254 -3.188 -5.465 1.00 . A A . 27 TYR HA 1 1 3 1310 1 1 27 TYR HB2 H 5.144 -4.677 -7.861 1.00 . A A . 27 TYR HB2 1 1 3 1311 1 1 27 TYR HB3 H 6.462 -3.511 -7.985 1.00 . A A . 27 TYR HB3 1 1 3 1312 1 1 27 TYR HD1 H 8.528 -3.878 -6.468 1.00 . A A . 27 TYR HD1 1 1 3 1313 1 1 27 TYR HD2 H 5.589 -6.914 -7.248 1.00 . A A . 27 TYR HD2 1 1 3 1314 1 1 27 TYR HE1 H 10.141 -5.623 -5.759 1.00 . A A . 27 TYR HE1 1 1 3 1315 1 1 27 TYR HE2 H 7.202 -8.657 -6.538 1.00 . A A . 27 TYR HE2 1 1 3 1316 1 1 27 TYR HH H 10.142 -8.531 -6.485 1.00 . A A . 27 TYR HH 1 1 3 1317 1 1 27 TYR N N 4.567 -4.476 -5.390 1.00 . A A . 27 TYR N 1 1 3 1318 1 1 27 TYR O O 4.931 -1.138 -6.142 1.00 . A A . 27 TYR O 1 1 3 1319 1 1 27 TYR OH O 9.673 -8.224 -5.705 1.00 . A A . 27 TYR OH 1 1 3 1320 1 1 28 TYR C C 1.196 -1.649 -7.390 1.00 . A A . 28 TYR C 1 1 3 1321 1 1 28 TYR CA C 2.673 -1.317 -7.646 1.00 . A A . 28 TYR CA 1 1 3 1322 1 1 28 TYR CB C 2.937 -1.138 -9.146 1.00 . A A . 28 TYR CB 1 1 3 1323 1 1 28 TYR CD1 C 2.713 1.338 -9.594 1.00 . A A . 28 TYR CD1 1 1 3 1324 1 1 28 TYR CD2 C 0.874 -0.127 -10.193 1.00 . A A . 28 TYR CD2 1 1 3 1325 1 1 28 TYR CE1 C 1.988 2.439 -10.066 1.00 . A A . 28 TYR CE1 1 1 3 1326 1 1 28 TYR CE2 C 0.150 0.974 -10.663 1.00 . A A . 28 TYR CE2 1 1 3 1327 1 1 28 TYR CG C 2.156 0.053 -9.658 1.00 . A A . 28 TYR CG 1 1 3 1328 1 1 28 TYR CZ C 0.706 2.257 -10.601 1.00 . A A . 28 TYR CZ 1 1 3 1329 1 1 28 TYR H H 3.302 -3.374 -7.488 1.00 . A A . 28 TYR H 1 1 3 1330 1 1 28 TYR HA H 2.951 -0.419 -7.116 1.00 . A A . 28 TYR HA 1 1 3 1331 1 1 28 TYR HB2 H 3.992 -0.975 -9.308 1.00 . A A . 28 TYR HB2 1 1 3 1332 1 1 28 TYR HB3 H 2.625 -2.027 -9.675 1.00 . A A . 28 TYR HB3 1 1 3 1333 1 1 28 TYR HD1 H 3.702 1.479 -9.182 1.00 . A A . 28 TYR HD1 1 1 3 1334 1 1 28 TYR HD2 H 0.445 -1.117 -10.243 1.00 . A A . 28 TYR HD2 1 1 3 1335 1 1 28 TYR HE1 H 2.417 3.428 -10.016 1.00 . A A . 28 TYR HE1 1 1 3 1336 1 1 28 TYR HE2 H -0.838 0.833 -11.074 1.00 . A A . 28 TYR HE2 1 1 3 1337 1 1 28 TYR HH H -0.400 3.106 -11.910 1.00 . A A . 28 TYR HH 1 1 3 1338 1 1 28 TYR N N 3.538 -2.461 -7.225 1.00 . A A . 28 TYR N 1 1 3 1339 1 1 28 TYR O O 0.595 -2.439 -8.096 1.00 . A A . 28 TYR O 1 1 3 1340 1 1 28 TYR OH O -0.009 3.345 -11.065 1.00 . A A . 28 TYR OH 1 1 3 1341 1 1 29 GLY C C -1.436 -0.123 -5.333 1.00 . A A . 29 GLY C 1 1 3 1342 1 1 29 GLY CA C -0.824 -1.322 -6.069 1.00 . A A . 29 GLY CA 1 1 3 1343 1 1 29 GLY H H 1.120 -0.419 -5.830 1.00 . A A . 29 GLY H 1 1 3 1344 1 1 29 GLY HA2 H -1.364 -1.494 -6.990 1.00 . A A . 29 GLY HA2 1 1 3 1345 1 1 29 GLY HA3 H -0.894 -2.198 -5.444 1.00 . A A . 29 GLY HA3 1 1 3 1346 1 1 29 GLY N N 0.613 -1.049 -6.382 1.00 . A A . 29 GLY N 1 1 3 1347 1 1 29 GLY O O -0.754 0.831 -5.007 1.00 . A A . 29 GLY O 1 1 3 1348 1 1 30 ASN C C -3.904 0.514 -2.984 1.00 . A A . 30 ASN C 1 1 3 1349 1 1 30 ASN CA C -3.383 0.969 -4.352 1.00 . A A . 30 ASN CA 1 1 3 1350 1 1 30 ASN CB C -4.554 1.393 -5.245 1.00 . A A . 30 ASN CB 1 1 3 1351 1 1 30 ASN CG C -4.025 1.853 -6.608 1.00 . A A . 30 ASN CG 1 1 3 1352 1 1 30 ASN H H -3.248 -0.947 -5.340 1.00 . A A . 30 ASN H 1 1 3 1353 1 1 30 ASN HA H -2.696 1.791 -4.236 1.00 . A A . 30 ASN HA 1 1 3 1354 1 1 30 ASN HB2 H -5.224 0.556 -5.380 1.00 . A A . 30 ASN HB2 1 1 3 1355 1 1 30 ASN HB3 H -5.085 2.207 -4.774 1.00 . A A . 30 ASN HB3 1 1 3 1356 1 1 30 ASN HD21 H -4.727 0.269 -7.580 1.00 . A A . 30 ASN HD21 1 1 3 1357 1 1 30 ASN HD22 H -3.896 1.398 -8.536 1.00 . A A . 30 ASN HD22 1 1 3 1358 1 1 30 ASN N N -2.720 -0.167 -5.068 1.00 . A A . 30 ASN N 1 1 3 1359 1 1 30 ASN ND2 N -4.235 1.113 -7.662 1.00 . A A . 30 ASN ND2 1 1 3 1360 1 1 30 ASN O O -3.964 -0.664 -2.690 1.00 . A A . 30 ASN O 1 1 3 1361 1 1 30 ASN OD1 O -3.416 2.899 -6.712 1.00 . A A . 30 ASN OD1 1 1 3 1362 1 1 31 CYS C C -6.243 1.630 -0.641 1.00 . A A . 31 CYS C 1 1 3 1363 1 1 31 CYS CA C -4.814 1.096 -0.797 1.00 . A A . 31 CYS CA 1 1 3 1364 1 1 31 CYS CB C -3.863 1.789 0.188 1.00 . A A . 31 CYS CB 1 1 3 1365 1 1 31 CYS H H -4.231 2.391 -2.419 1.00 . A A . 31 CYS H 1 1 3 1366 1 1 31 CYS HA H -4.790 0.029 -0.648 1.00 . A A . 31 CYS HA 1 1 3 1367 1 1 31 CYS HB2 H -2.841 1.619 -0.118 1.00 . A A . 31 CYS HB2 1 1 3 1368 1 1 31 CYS HB3 H -4.063 2.850 0.197 1.00 . A A . 31 CYS HB3 1 1 3 1369 1 1 31 CYS N N -4.285 1.450 -2.150 1.00 . A A . 31 CYS N 1 1 3 1370 1 1 31 CYS O O -6.699 2.439 -1.426 1.00 . A A . 31 CYS O 1 1 3 1371 1 1 31 CYS SG S -4.111 1.117 1.849 1.00 . A A . 31 CYS SG 1 1 3 1372 1 1 32 SER C C -8.808 1.402 2.022 1.00 . A A . 32 SER C 1 1 3 1373 1 1 32 SER CA C -8.355 1.674 0.580 1.00 . A A . 32 SER CA 1 1 3 1374 1 1 32 SER CB C -9.218 0.890 -0.415 1.00 . A A . 32 SER CB 1 1 3 1375 1 1 32 SER H H -6.564 0.536 0.991 1.00 . A A . 32 SER H 1 1 3 1376 1 1 32 SER HA H -8.417 2.730 0.365 1.00 . A A . 32 SER HA 1 1 3 1377 1 1 32 SER HB2 H -10.258 1.109 -0.240 1.00 . A A . 32 SER HB2 1 1 3 1378 1 1 32 SER HB3 H -8.958 1.184 -1.423 1.00 . A A . 32 SER HB3 1 1 3 1379 1 1 32 SER HG H -8.595 -0.846 -1.044 1.00 . A A . 32 SER HG 1 1 3 1380 1 1 32 SER N N -6.953 1.187 0.369 1.00 . A A . 32 SER N 1 1 3 1381 1 1 32 SER O O -8.455 0.359 2.552 1.00 . A A . 32 SER O 1 1 3 1382 1 1 32 SER OXT O -9.498 2.245 2.570 1.00 . A A . 32 SER OXT 1 1 3 1383 1 1 32 SER OG O -8.998 -0.507 -0.241 1.00 . A A . 32 SER OG 1 1 4 1384 1 1 1 CYS C C 1.812 4.807 5.704 1.00 . A A . 1 CYS C 1 1 4 1385 1 1 1 CYS CA C 2.442 3.896 6.764 1.00 . A A . 1 CYS CA 1 1 4 1386 1 1 1 CYS CB C 1.367 3.276 7.658 1.00 . A A . 1 CYS CB 1 1 4 1387 1 1 1 CYS H1 H 3.450 5.634 7.303 1.00 . A A . 1 CYS H1 1 1 4 1388 1 1 1 CYS H2 H 2.874 4.748 8.612 1.00 . A A . 1 CYS H2 1 1 4 1389 1 1 1 CYS H3 H 2.398 6.365 4.924 1.00 . A A . 1 CYS H3 1 1 4 1390 1 1 1 CYS HA H 3.008 3.114 6.290 1.00 . A A . 1 CYS HA 1 1 4 1391 1 1 1 CYS HB2 H 0.732 2.645 7.057 1.00 . A A . 1 CYS HB2 1 1 4 1392 1 1 1 CYS HB3 H 1.841 2.678 8.425 1.00 . A A . 1 CYS HB3 1 1 4 1393 1 1 1 CYS N N 3.317 4.686 7.684 1.00 . A A . 1 CYS N 1 1 4 1394 1 1 1 CYS O O 1.921 6.018 5.768 1.00 . A A . 1 CYS O 1 1 4 1395 1 1 1 CYS SG S 0.370 4.576 8.436 1.00 . A A . 1 CYS SG 1 1 4 1396 1 1 2 ILE C C -0.982 5.216 3.932 1.00 . A A . 2 ILE C 1 1 4 1397 1 1 2 ILE CA C 0.518 5.067 3.661 1.00 . A A . 2 ILE CA 1 1 4 1398 1 1 2 ILE CB C 0.753 4.306 2.352 1.00 . A A . 2 ILE CB 1 1 4 1399 1 1 2 ILE CD1 C 2.779 2.861 2.066 1.00 . A A . 2 ILE CD1 1 1 4 1400 1 1 2 ILE CG1 C 2.252 4.296 2.025 1.00 . A A . 2 ILE CG1 1 1 4 1401 1 1 2 ILE CG2 C -0.006 4.988 1.209 1.00 . A A . 2 ILE CG2 1 1 4 1402 1 1 2 ILE H H 1.074 3.256 4.696 1.00 . A A . 2 ILE H 1 1 4 1403 1 1 2 ILE HA H 0.990 6.035 3.612 1.00 . A A . 2 ILE HA 1 1 4 1404 1 1 2 ILE HB H 0.398 3.292 2.461 1.00 . A A . 2 ILE HB 1 1 4 1405 1 1 2 ILE HD11 H 3.570 2.789 2.797 1.00 . A A . 2 ILE HD11 1 1 4 1406 1 1 2 ILE HD12 H 1.978 2.188 2.334 1.00 . A A . 2 ILE HD12 1 1 4 1407 1 1 2 ILE HD13 H 3.165 2.592 1.092 1.00 . A A . 2 ILE HD13 1 1 4 1408 1 1 2 ILE HG12 H 2.409 4.710 1.039 1.00 . A A . 2 ILE HG12 1 1 4 1409 1 1 2 ILE HG13 H 2.783 4.891 2.753 1.00 . A A . 2 ILE HG13 1 1 4 1410 1 1 2 ILE HG21 H -1.048 5.081 1.474 1.00 . A A . 2 ILE HG21 1 1 4 1411 1 1 2 ILE HG22 H 0.410 5.970 1.037 1.00 . A A . 2 ILE HG22 1 1 4 1412 1 1 2 ILE HG23 H 0.085 4.395 0.311 1.00 . A A . 2 ILE HG23 1 1 4 1413 1 1 2 ILE N N 1.152 4.234 4.728 1.00 . A A . 2 ILE N 1 1 4 1414 1 1 2 ILE O O -1.632 4.275 4.346 1.00 . A A . 2 ILE O 1 1 4 1415 1 1 3 PRO C C -3.781 5.930 2.858 1.00 . A A . 3 PRO C 1 1 4 1416 1 1 3 PRO CA C -2.929 6.673 3.894 1.00 . A A . 3 PRO CA 1 1 4 1417 1 1 3 PRO CB C -3.038 8.185 3.707 1.00 . A A . 3 PRO CB 1 1 4 1418 1 1 3 PRO CD C -0.771 7.581 3.177 1.00 . A A . 3 PRO CD 1 1 4 1419 1 1 3 PRO CG C -1.872 8.552 2.847 1.00 . A A . 3 PRO CG 1 1 4 1420 1 1 3 PRO HA H -3.222 6.402 4.894 1.00 . A A . 3 PRO HA 1 1 4 1421 1 1 3 PRO HB2 H -3.967 8.434 3.211 1.00 . A A . 3 PRO HB2 1 1 4 1422 1 1 3 PRO HB3 H -2.969 8.689 4.657 1.00 . A A . 3 PRO HB3 1 1 4 1423 1 1 3 PRO HD2 H -0.202 7.338 2.290 1.00 . A A . 3 PRO HD2 1 1 4 1424 1 1 3 PRO HD3 H -0.128 7.981 3.945 1.00 . A A . 3 PRO HD3 1 1 4 1425 1 1 3 PRO HG2 H -2.142 8.469 1.803 1.00 . A A . 3 PRO HG2 1 1 4 1426 1 1 3 PRO HG3 H -1.548 9.557 3.068 1.00 . A A . 3 PRO HG3 1 1 4 1427 1 1 3 PRO N N -1.485 6.399 3.680 1.00 . A A . 3 PRO N 1 1 4 1428 1 1 3 PRO O O -3.325 5.612 1.778 1.00 . A A . 3 PRO O 1 1 4 1429 1 1 4 LYS C C -6.081 5.731 0.934 1.00 . A A . 4 LYS C 1 1 4 1430 1 1 4 LYS CA C -5.909 4.929 2.231 1.00 . A A . 4 LYS CA 1 1 4 1431 1 1 4 LYS CB C -7.250 4.794 2.957 1.00 . A A . 4 LYS CB 1 1 4 1432 1 1 4 LYS CD C -9.326 5.988 3.689 1.00 . A A . 4 LYS CD 1 1 4 1433 1 1 4 LYS CE C -9.707 7.292 4.400 1.00 . A A . 4 LYS CE 1 1 4 1434 1 1 4 LYS CG C -7.964 6.151 3.009 1.00 . A A . 4 LYS CG 1 1 4 1435 1 1 4 LYS H H -5.351 5.911 4.070 1.00 . A A . 4 LYS H 1 1 4 1436 1 1 4 LYS HA H -5.510 3.951 2.018 1.00 . A A . 4 LYS HA 1 1 4 1437 1 1 4 LYS HB2 H -7.870 4.080 2.433 1.00 . A A . 4 LYS HB2 1 1 4 1438 1 1 4 LYS HB3 H -7.076 4.446 3.961 1.00 . A A . 4 LYS HB3 1 1 4 1439 1 1 4 LYS HD2 H -10.072 5.752 2.944 1.00 . A A . 4 LYS HD2 1 1 4 1440 1 1 4 LYS HD3 H -9.273 5.189 4.412 1.00 . A A . 4 LYS HD3 1 1 4 1441 1 1 4 LYS HE2 H -8.980 7.529 5.165 1.00 . A A . 4 LYS HE2 1 1 4 1442 1 1 4 LYS HE3 H -9.783 8.100 3.689 1.00 . A A . 4 LYS HE3 1 1 4 1443 1 1 4 LYS HG2 H -7.362 6.854 3.566 1.00 . A A . 4 LYS HG2 1 1 4 1444 1 1 4 LYS HG3 H -8.109 6.520 2.004 1.00 . A A . 4 LYS HG3 1 1 4 1445 1 1 4 LYS HZ1 H -11.271 6.026 4.906 1.00 . A A . 4 LYS HZ1 1 1 4 1446 1 1 4 LYS HZ3 H -11.755 7.595 4.544 1.00 . A A . 4 LYS HZ3 1 1 4 1447 1 1 4 LYS N N -5.015 5.650 3.189 1.00 . A A . 4 LYS N 1 1 4 1448 1 1 4 LYS NZ N -11.039 7.023 5.013 1.00 . A A . 4 LYS NZ 1 1 4 1449 1 1 4 LYS O O -5.740 6.899 0.865 1.00 . A A . 4 LYS O 1 1 4 1450 1 1 5 TRP C C -5.512 6.361 -1.958 1.00 . A A . 5 TRP C 1 1 4 1451 1 1 5 TRP CA C -6.828 5.800 -1.399 1.00 . A A . 5 TRP CA 1 1 4 1452 1 1 5 TRP CB C -7.823 6.922 -1.101 1.00 . A A . 5 TRP CB 1 1 4 1453 1 1 5 TRP CD1 C -9.807 5.671 -0.175 1.00 . A A . 5 TRP CD1 1 1 4 1454 1 1 5 TRP CD2 C -10.158 6.419 -2.263 1.00 . A A . 5 TRP CD2 1 1 4 1455 1 1 5 TRP CE2 C -11.338 5.748 -1.871 1.00 . A A . 5 TRP CE2 1 1 4 1456 1 1 5 TRP CE3 C -10.112 6.988 -3.547 1.00 . A A . 5 TRP CE3 1 1 4 1457 1 1 5 TRP CG C -9.206 6.364 -1.166 1.00 . A A . 5 TRP CG 1 1 4 1458 1 1 5 TRP CH2 C -12.375 6.212 -3.997 1.00 . A A . 5 TRP CH2 1 1 4 1459 1 1 5 TRP CZ2 C -12.437 5.642 -2.723 1.00 . A A . 5 TRP CZ2 1 1 4 1460 1 1 5 TRP CZ3 C -11.215 6.883 -4.409 1.00 . A A . 5 TRP CZ3 1 1 4 1461 1 1 5 TRP H H -6.873 4.166 0.003 1.00 . A A . 5 TRP H 1 1 4 1462 1 1 5 TRP HA H -7.268 5.117 -2.108 1.00 . A A . 5 TRP HA 1 1 4 1463 1 1 5 TRP HB2 H -7.640 7.321 -0.115 1.00 . A A . 5 TRP HB2 1 1 4 1464 1 1 5 TRP HB3 H -7.717 7.706 -1.834 1.00 . A A . 5 TRP HB3 1 1 4 1465 1 1 5 TRP HD1 H -9.368 5.442 0.782 1.00 . A A . 5 TRP HD1 1 1 4 1466 1 1 5 TRP HE1 H -11.722 4.804 -0.053 1.00 . A A . 5 TRP HE1 1 1 4 1467 1 1 5 TRP HE3 H -9.220 7.503 -3.872 1.00 . A A . 5 TRP HE3 1 1 4 1468 1 1 5 TRP HH2 H -13.219 6.132 -4.664 1.00 . A A . 5 TRP HH2 1 1 4 1469 1 1 5 TRP HZ2 H -13.327 5.125 -2.401 1.00 . A A . 5 TRP HZ2 1 1 4 1470 1 1 5 TRP HZ3 H -11.170 7.322 -5.395 1.00 . A A . 5 TRP HZ3 1 1 4 1471 1 1 5 TRP N N -6.611 5.104 -0.090 1.00 . A A . 5 TRP N 1 1 4 1472 1 1 5 TRP NE1 N -11.076 5.309 -0.588 1.00 . A A . 5 TRP NE1 1 1 4 1473 1 1 5 TRP O O -5.512 7.267 -2.772 1.00 . A A . 5 TRP O 1 1 4 1474 1 1 6 ASN C C -2.229 5.128 -2.528 1.00 . A A . 6 ASN C 1 1 4 1475 1 1 6 ASN CA C -3.081 6.314 -2.063 1.00 . A A . 6 ASN CA 1 1 4 1476 1 1 6 ASN CB C -2.415 7.028 -0.883 1.00 . A A . 6 ASN CB 1 1 4 1477 1 1 6 ASN CG C -2.895 8.481 -0.824 1.00 . A A . 6 ASN CG 1 1 4 1478 1 1 6 ASN H H -4.411 5.083 -0.895 1.00 . A A . 6 ASN H 1 1 4 1479 1 1 6 ASN HA H -3.236 7.007 -2.874 1.00 . A A . 6 ASN HA 1 1 4 1480 1 1 6 ASN HB2 H -2.675 6.526 0.034 1.00 . A A . 6 ASN HB2 1 1 4 1481 1 1 6 ASN HB3 H -1.343 7.011 -1.011 1.00 . A A . 6 ASN HB3 1 1 4 1482 1 1 6 ASN HD21 H -4.177 8.154 0.660 1.00 . A A . 6 ASN HD21 1 1 4 1483 1 1 6 ASN HD22 H -4.117 9.753 0.092 1.00 . A A . 6 ASN HD22 1 1 4 1484 1 1 6 ASN N N -4.391 5.821 -1.543 1.00 . A A . 6 ASN N 1 1 4 1485 1 1 6 ASN ND2 N -3.805 8.824 0.049 1.00 . A A . 6 ASN ND2 1 1 4 1486 1 1 6 ASN O O -2.484 3.992 -2.175 1.00 . A A . 6 ASN O 1 1 4 1487 1 1 6 ASN OD1 O -2.435 9.316 -1.580 1.00 . A A . 6 ASN OD1 1 1 4 1488 1 1 7 ARG C C 0.584 3.784 -2.705 1.00 . A A . 7 ARG C 1 1 4 1489 1 1 7 ARG CA C -0.351 4.275 -3.820 1.00 . A A . 7 ARG CA 1 1 4 1490 1 1 7 ARG CB C 0.451 4.884 -4.978 1.00 . A A . 7 ARG CB 1 1 4 1491 1 1 7 ARG CD C 1.550 7.087 -5.450 1.00 . A A . 7 ARG CD 1 1 4 1492 1 1 7 ARG CG C 1.420 5.943 -4.441 1.00 . A A . 7 ARG CG 1 1 4 1493 1 1 7 ARG CZ C 3.389 7.239 -7.023 1.00 . A A . 7 ARG CZ 1 1 4 1494 1 1 7 ARG H H -1.041 6.310 -3.595 1.00 . A A . 7 ARG H 1 1 4 1495 1 1 7 ARG HA H -0.958 3.461 -4.185 1.00 . A A . 7 ARG HA 1 1 4 1496 1 1 7 ARG HB2 H 1.010 4.105 -5.476 1.00 . A A . 7 ARG HB2 1 1 4 1497 1 1 7 ARG HB3 H -0.228 5.345 -5.682 1.00 . A A . 7 ARG HB3 1 1 4 1498 1 1 7 ARG HD2 H 0.970 6.872 -6.337 1.00 . A A . 7 ARG HD2 1 1 4 1499 1 1 7 ARG HD3 H 1.232 8.017 -5.007 1.00 . A A . 7 ARG HD3 1 1 4 1500 1 1 7 ARG HG2 H 1.044 6.332 -3.505 1.00 . A A . 7 ARG HG2 1 1 4 1501 1 1 7 ARG HG3 H 2.389 5.495 -4.280 1.00 . A A . 7 ARG HG3 1 1 4 1502 1 1 7 ARG HH11 H 2.768 5.396 -7.513 1.00 . A A . 7 ARG HH11 1 1 4 1503 1 1 7 ARG HH12 H 3.500 6.304 -8.793 1.00 . A A . 7 ARG HH12 1 1 4 1504 1 1 7 ARG HH21 H 4.099 9.103 -6.822 1.00 . A A . 7 ARG HH21 1 1 4 1505 1 1 7 ARG HH22 H 4.255 8.408 -8.402 1.00 . A A . 7 ARG HH22 1 1 4 1506 1 1 7 ARG N N -1.222 5.386 -3.323 1.00 . A A . 7 ARG N 1 1 4 1507 1 1 7 ARG NE N 3.002 7.148 -5.778 1.00 . A A . 7 ARG NE 1 1 4 1508 1 1 7 ARG NH1 N 3.205 6.234 -7.840 1.00 . A A . 7 ARG NH1 1 1 4 1509 1 1 7 ARG NH2 N 3.958 8.335 -7.449 1.00 . A A . 7 ARG NH2 1 1 4 1510 1 1 7 ARG O O 1.083 4.563 -1.914 1.00 . A A . 7 ARG O 1 1 4 1511 1 1 8 CYS C C 2.650 0.874 -2.157 1.00 . A A . 8 CYS C 1 1 4 1512 1 1 8 CYS CA C 1.730 1.956 -1.578 1.00 . A A . 8 CYS CA 1 1 4 1513 1 1 8 CYS CB C 0.801 1.370 -0.509 1.00 . A A . 8 CYS CB 1 1 4 1514 1 1 8 CYS H H 0.413 1.889 -3.288 1.00 . A A . 8 CYS H 1 1 4 1515 1 1 8 CYS HA H 2.318 2.753 -1.151 1.00 . A A . 8 CYS HA 1 1 4 1516 1 1 8 CYS HB2 H 1.395 0.949 0.290 1.00 . A A . 8 CYS HB2 1 1 4 1517 1 1 8 CYS HB3 H 0.172 2.154 -0.112 1.00 . A A . 8 CYS HB3 1 1 4 1518 1 1 8 CYS N N 0.825 2.497 -2.639 1.00 . A A . 8 CYS N 1 1 4 1519 1 1 8 CYS O O 2.227 0.025 -2.920 1.00 . A A . 8 CYS O 1 1 4 1520 1 1 8 CYS SG S -0.235 0.073 -1.231 1.00 . A A . 8 CYS SG 1 1 4 1521 1 1 9 GLY C C 5.695 -0.673 -1.149 1.00 . A A . 9 GLY C 1 1 4 1522 1 1 9 GLY CA C 4.872 -0.114 -2.314 1.00 . A A . 9 GLY CA 1 1 4 1523 1 1 9 GLY H H 4.223 1.600 -1.182 1.00 . A A . 9 GLY H 1 1 4 1524 1 1 9 GLY HA2 H 4.328 -0.916 -2.792 1.00 . A A . 9 GLY HA2 1 1 4 1525 1 1 9 GLY HA3 H 5.535 0.348 -3.028 1.00 . A A . 9 GLY HA3 1 1 4 1526 1 1 9 GLY N N 3.909 0.904 -1.797 1.00 . A A . 9 GLY N 1 1 4 1527 1 1 9 GLY O O 6.783 -0.200 -0.883 1.00 . A A . 9 GLY O 1 1 4 1528 1 1 10 PRO C C 7.068 -3.100 0.188 1.00 . A A . 10 PRO C 1 1 4 1529 1 1 10 PRO CA C 5.847 -2.300 0.662 1.00 . A A . 10 PRO CA 1 1 4 1530 1 1 10 PRO CB C 4.787 -3.219 1.266 1.00 . A A . 10 PRO CB 1 1 4 1531 1 1 10 PRO CD C 3.842 -2.294 -0.747 1.00 . A A . 10 PRO CD 1 1 4 1532 1 1 10 PRO CG C 3.845 -3.509 0.143 1.00 . A A . 10 PRO CG 1 1 4 1533 1 1 10 PRO HA H 6.142 -1.554 1.378 1.00 . A A . 10 PRO HA 1 1 4 1534 1 1 10 PRO HB2 H 5.243 -4.133 1.625 1.00 . A A . 10 PRO HB2 1 1 4 1535 1 1 10 PRO HB3 H 4.265 -2.718 2.066 1.00 . A A . 10 PRO HB3 1 1 4 1536 1 1 10 PRO HD2 H 3.754 -2.586 -1.785 1.00 . A A . 10 PRO HD2 1 1 4 1537 1 1 10 PRO HD3 H 3.046 -1.621 -0.470 1.00 . A A . 10 PRO HD3 1 1 4 1538 1 1 10 PRO HG2 H 4.187 -4.375 -0.409 1.00 . A A . 10 PRO HG2 1 1 4 1539 1 1 10 PRO HG3 H 2.852 -3.682 0.526 1.00 . A A . 10 PRO HG3 1 1 4 1540 1 1 10 PRO N N 5.147 -1.668 -0.490 1.00 . A A . 10 PRO N 1 1 4 1541 1 1 10 PRO O O 8.053 -3.205 0.890 1.00 . A A . 10 PRO O 1 1 4 1542 1 1 11 LYS C C 9.239 -3.469 -2.098 1.00 . A A . 11 LYS C 1 1 4 1543 1 1 11 LYS CA C 8.191 -4.426 -1.510 1.00 . A A . 11 LYS CA 1 1 4 1544 1 1 11 LYS CB C 7.626 -5.339 -2.602 1.00 . A A . 11 LYS CB 1 1 4 1545 1 1 11 LYS CD C 9.620 -6.846 -2.639 1.00 . A A . 11 LYS CD 1 1 4 1546 1 1 11 LYS CE C 10.138 -8.241 -2.277 1.00 . A A . 11 LYS CE 1 1 4 1547 1 1 11 LYS CG C 8.115 -6.772 -2.374 1.00 . A A . 11 LYS CG 1 1 4 1548 1 1 11 LYS H H 6.219 -3.551 -1.555 1.00 . A A . 11 LYS H 1 1 4 1549 1 1 11 LYS HA H 8.624 -5.019 -0.720 1.00 . A A . 11 LYS HA 1 1 4 1550 1 1 11 LYS HB2 H 6.547 -5.316 -2.569 1.00 . A A . 11 LYS HB2 1 1 4 1551 1 1 11 LYS HB3 H 7.964 -4.995 -3.569 1.00 . A A . 11 LYS HB3 1 1 4 1552 1 1 11 LYS HD2 H 9.812 -6.651 -3.684 1.00 . A A . 11 LYS HD2 1 1 4 1553 1 1 11 LYS HD3 H 10.129 -6.108 -2.037 1.00 . A A . 11 LYS HD3 1 1 4 1554 1 1 11 LYS HE2 H 9.338 -8.845 -1.870 1.00 . A A . 11 LYS HE2 1 1 4 1555 1 1 11 LYS HE3 H 10.569 -8.718 -3.142 1.00 . A A . 11 LYS HE3 1 1 4 1556 1 1 11 LYS HG2 H 7.913 -7.061 -1.352 1.00 . A A . 11 LYS HG2 1 1 4 1557 1 1 11 LYS HG3 H 7.599 -7.440 -3.047 1.00 . A A . 11 LYS HG3 1 1 4 1558 1 1 11 LYS HZ1 H 10.975 -8.562 -0.404 1.00 . A A . 11 LYS HZ1 1 1 4 1559 1 1 11 LYS HZ3 H 11.216 -7.008 -1.001 1.00 . A A . 11 LYS HZ3 1 1 4 1560 1 1 11 LYS N N 7.019 -3.652 -0.997 1.00 . A A . 11 LYS N 1 1 4 1561 1 1 11 LYS NZ N 11.190 -8.008 -1.246 1.00 . A A . 11 LYS NZ 1 1 4 1562 1 1 11 LYS O O 10.388 -3.828 -2.269 1.00 . A A . 11 LYS O 1 1 4 1563 1 1 12 MET C C 10.426 -0.389 -1.896 1.00 . A A . 12 MET C 1 1 4 1564 1 1 12 MET CA C 9.813 -1.275 -2.991 1.00 . A A . 12 MET CA 1 1 4 1565 1 1 12 MET CB C 8.975 -0.430 -3.956 1.00 . A A . 12 MET CB 1 1 4 1566 1 1 12 MET CE C 9.590 1.617 -7.188 1.00 . A A . 12 MET CE 1 1 4 1567 1 1 12 MET CG C 9.679 -0.344 -5.312 1.00 . A A . 12 MET CG 1 1 4 1568 1 1 12 MET H H 7.916 -1.991 -2.266 1.00 . A A . 12 MET H 1 1 4 1569 1 1 12 MET HA H 10.589 -1.788 -3.536 1.00 . A A . 12 MET HA 1 1 4 1570 1 1 12 MET HB2 H 8.004 -0.885 -4.084 1.00 . A A . 12 MET HB2 1 1 4 1571 1 1 12 MET HB3 H 8.854 0.565 -3.553 1.00 . A A . 12 MET HB3 1 1 4 1572 1 1 12 MET HE1 H 10.272 1.276 -7.950 1.00 . A A . 12 MET HE1 1 1 4 1573 1 1 12 MET HE2 H 8.660 1.070 -7.268 1.00 . A A . 12 MET HE2 1 1 4 1574 1 1 12 MET HE3 H 9.404 2.674 -7.320 1.00 . A A . 12 MET HE3 1 1 4 1575 1 1 12 MET HG2 H 10.500 -1.046 -5.336 1.00 . A A . 12 MET HG2 1 1 4 1576 1 1 12 MET HG3 H 8.978 -0.581 -6.096 1.00 . A A . 12 MET HG3 1 1 4 1577 1 1 12 MET N N 8.848 -2.256 -2.410 1.00 . A A . 12 MET N 1 1 4 1578 1 1 12 MET O O 11.561 0.036 -2.005 1.00 . A A . 12 MET O 1 1 4 1579 1 1 12 MET SD S 10.314 1.334 -5.555 1.00 . A A . 12 MET SD 1 1 4 1580 1 1 13 ASP C C 10.272 0.023 1.578 1.00 . A A . 13 ASP C 1 1 4 1581 1 1 13 ASP CA C 10.240 0.770 0.236 1.00 . A A . 13 ASP CA 1 1 4 1582 1 1 13 ASP CB C 9.281 1.961 0.307 1.00 . A A . 13 ASP CB 1 1 4 1583 1 1 13 ASP CG C 10.022 3.183 0.852 1.00 . A A . 13 ASP CG 1 1 4 1584 1 1 13 ASP H H 8.769 -0.443 -0.782 1.00 . A A . 13 ASP H 1 1 4 1585 1 1 13 ASP HA H 11.228 1.113 -0.024 1.00 . A A . 13 ASP HA 1 1 4 1586 1 1 13 ASP HB2 H 8.904 2.178 -0.682 1.00 . A A . 13 ASP HB2 1 1 4 1587 1 1 13 ASP HB3 H 8.456 1.721 0.961 1.00 . A A . 13 ASP HB3 1 1 4 1588 1 1 13 ASP N N 9.688 -0.098 -0.851 1.00 . A A . 13 ASP N 1 1 4 1589 1 1 13 ASP O O 11.053 0.347 2.452 1.00 . A A . 13 ASP O 1 1 4 1590 1 1 13 ASP OD1 O 10.636 3.882 0.061 1.00 . A A . 13 ASP OD1 1 1 4 1591 1 1 13 ASP OD2 O 9.962 3.401 2.051 1.00 . A A . 13 ASP OD2 1 1 4 1592 1 1 14 GLY C C 8.306 -1.150 3.953 1.00 . A A . 14 GLY C 1 1 4 1593 1 1 14 GLY CA C 9.398 -1.721 3.039 1.00 . A A . 14 GLY CA 1 1 4 1594 1 1 14 GLY H H 8.799 -1.201 1.038 1.00 . A A . 14 GLY H 1 1 4 1595 1 1 14 GLY HA2 H 9.191 -2.762 2.837 1.00 . A A . 14 GLY HA2 1 1 4 1596 1 1 14 GLY HA3 H 10.354 -1.633 3.529 1.00 . A A . 14 GLY HA3 1 1 4 1597 1 1 14 GLY N N 9.424 -0.962 1.752 1.00 . A A . 14 GLY N 1 1 4 1598 1 1 14 GLY O O 8.324 -1.360 5.152 1.00 . A A . 14 GLY O 1 1 4 1599 1 1 15 VAL C C 4.921 0.039 3.513 1.00 . A A . 15 VAL C 1 1 4 1600 1 1 15 VAL CA C 6.269 0.159 4.239 1.00 . A A . 15 VAL CA 1 1 4 1601 1 1 15 VAL CB C 6.660 1.632 4.428 1.00 . A A . 15 VAL CB 1 1 4 1602 1 1 15 VAL CG1 C 5.560 2.367 5.204 1.00 . A A . 15 VAL CG1 1 1 4 1603 1 1 15 VAL CG2 C 7.974 1.719 5.211 1.00 . A A . 15 VAL CG2 1 1 4 1604 1 1 15 VAL H H 7.362 -0.268 2.435 1.00 . A A . 15 VAL H 1 1 4 1605 1 1 15 VAL HA H 6.226 -0.333 5.199 1.00 . A A . 15 VAL HA 1 1 4 1606 1 1 15 VAL HB H 6.786 2.096 3.458 1.00 . A A . 15 VAL HB 1 1 4 1607 1 1 15 VAL HG11 H 4.592 2.078 4.822 1.00 . A A . 15 VAL HG11 1 1 4 1608 1 1 15 VAL HG12 H 5.626 2.109 6.251 1.00 . A A . 15 VAL HG12 1 1 4 1609 1 1 15 VAL HG13 H 5.689 3.433 5.088 1.00 . A A . 15 VAL HG13 1 1 4 1610 1 1 15 VAL HG21 H 8.127 2.732 5.553 1.00 . A A . 15 VAL HG21 1 1 4 1611 1 1 15 VAL HG22 H 7.930 1.055 6.063 1.00 . A A . 15 VAL HG22 1 1 4 1612 1 1 15 VAL HG23 H 8.795 1.427 4.571 1.00 . A A . 15 VAL HG23 1 1 4 1613 1 1 15 VAL N N 7.357 -0.427 3.401 1.00 . A A . 15 VAL N 1 1 4 1614 1 1 15 VAL O O 4.674 0.738 2.549 1.00 . A A . 15 VAL O 1 1 4 1615 1 1 16 PRO C C 1.793 0.063 3.833 1.00 . A A . 16 PRO C 1 1 4 1616 1 1 16 PRO CA C 2.749 -1.062 3.403 1.00 . A A . 16 PRO CA 1 1 4 1617 1 1 16 PRO CB C 2.301 -2.395 3.995 1.00 . A A . 16 PRO CB 1 1 4 1618 1 1 16 PRO CD C 4.324 -1.732 5.157 1.00 . A A . 16 PRO CD 1 1 4 1619 1 1 16 PRO CG C 3.044 -2.518 5.290 1.00 . A A . 16 PRO CG 1 1 4 1620 1 1 16 PRO HA H 2.813 -1.130 2.329 1.00 . A A . 16 PRO HA 1 1 4 1621 1 1 16 PRO HB2 H 1.234 -2.387 4.170 1.00 . A A . 16 PRO HB2 1 1 4 1622 1 1 16 PRO HB3 H 2.569 -3.208 3.338 1.00 . A A . 16 PRO HB3 1 1 4 1623 1 1 16 PRO HD2 H 4.504 -1.153 6.052 1.00 . A A . 16 PRO HD2 1 1 4 1624 1 1 16 PRO HD3 H 5.154 -2.391 4.956 1.00 . A A . 16 PRO HD3 1 1 4 1625 1 1 16 PRO HG2 H 2.444 -2.111 6.093 1.00 . A A . 16 PRO HG2 1 1 4 1626 1 1 16 PRO HG3 H 3.273 -3.552 5.488 1.00 . A A . 16 PRO HG3 1 1 4 1627 1 1 16 PRO N N 4.091 -0.849 4.007 1.00 . A A . 16 PRO N 1 1 4 1628 1 1 16 PRO O O 2.186 0.990 4.519 1.00 . A A . 16 PRO O 1 1 4 1629 1 1 17 CYS C C -0.619 1.003 5.387 1.00 . A A . 17 CYS C 1 1 4 1630 1 1 17 CYS CA C -0.430 1.043 3.868 1.00 . A A . 17 CYS CA 1 1 4 1631 1 1 17 CYS CB C -1.741 0.702 3.153 1.00 . A A . 17 CYS CB 1 1 4 1632 1 1 17 CYS H H 0.235 -0.776 2.913 1.00 . A A . 17 CYS H 1 1 4 1633 1 1 17 CYS HA H -0.082 2.012 3.559 1.00 . A A . 17 CYS HA 1 1 4 1634 1 1 17 CYS HB2 H -1.713 -0.326 2.821 1.00 . A A . 17 CYS HB2 1 1 4 1635 1 1 17 CYS HB3 H -2.567 0.838 3.834 1.00 . A A . 17 CYS HB3 1 1 4 1636 1 1 17 CYS N N 0.540 -0.017 3.454 1.00 . A A . 17 CYS N 1 1 4 1637 1 1 17 CYS O O -0.169 0.086 6.053 1.00 . A A . 17 CYS O 1 1 4 1638 1 1 17 CYS SG S -1.951 1.790 1.723 1.00 . A A . 17 CYS SG 1 1 4 1639 1 1 18 CYS C C -2.247 0.745 7.882 1.00 . A A . 18 CYS C 1 1 4 1640 1 1 18 CYS CA C -1.482 1.999 7.430 1.00 . A A . 18 CYS CA 1 1 4 1641 1 1 18 CYS CB C -2.276 3.271 7.720 1.00 . A A . 18 CYS CB 1 1 4 1642 1 1 18 CYS H H -1.621 2.722 5.387 1.00 . A A . 18 CYS H 1 1 4 1643 1 1 18 CYS HA H -0.533 2.043 7.936 1.00 . A A . 18 CYS HA 1 1 4 1644 1 1 18 CYS HB2 H -3.183 3.268 7.138 1.00 . A A . 18 CYS HB2 1 1 4 1645 1 1 18 CYS HB3 H -2.519 3.310 8.770 1.00 . A A . 18 CYS HB3 1 1 4 1646 1 1 18 CYS N N -1.274 1.988 5.944 1.00 . A A . 18 CYS N 1 1 4 1647 1 1 18 CYS O O -2.730 -0.027 7.076 1.00 . A A . 18 CYS O 1 1 4 1648 1 1 18 CYS SG S -1.280 4.719 7.277 1.00 . A A . 18 CYS SG 1 1 4 1649 1 1 19 GLU C C -4.477 -0.803 9.224 1.00 . A A . 19 GLU C 1 1 4 1650 1 1 19 GLU CA C -3.025 -0.687 9.712 1.00 . A A . 19 GLU CA 1 1 4 1651 1 1 19 GLU CB C -2.985 -0.536 11.237 1.00 . A A . 19 GLU CB 1 1 4 1652 1 1 19 GLU CD C -0.969 0.565 12.233 1.00 . A A . 19 GLU CD 1 1 4 1653 1 1 19 GLU CG C -1.557 -0.762 11.745 1.00 . A A . 19 GLU CG 1 1 4 1654 1 1 19 GLU H H -1.910 1.163 9.793 1.00 . A A . 19 GLU H 1 1 4 1655 1 1 19 GLU HA H -2.484 -1.568 9.424 1.00 . A A . 19 GLU HA 1 1 4 1656 1 1 19 GLU HB2 H -3.311 0.458 11.509 1.00 . A A . 19 GLU HB2 1 1 4 1657 1 1 19 GLU HB3 H -3.644 -1.265 11.688 1.00 . A A . 19 GLU HB3 1 1 4 1658 1 1 19 GLU HG2 H -1.575 -1.471 12.561 1.00 . A A . 19 GLU HG2 1 1 4 1659 1 1 19 GLU HG3 H -0.947 -1.151 10.944 1.00 . A A . 19 GLU HG3 1 1 4 1660 1 1 19 GLU N N -2.329 0.530 9.173 1.00 . A A . 19 GLU N 1 1 4 1661 1 1 19 GLU O O -4.885 -1.870 8.803 1.00 . A A . 19 GLU O 1 1 4 1662 1 1 19 GLU OE1 O -0.381 1.264 11.423 1.00 . A A . 19 GLU OE1 1 1 4 1663 1 1 19 GLU OE2 O -1.119 0.861 13.407 1.00 . A A . 19 GLU OE2 1 1 4 1664 1 1 20 PRO C C -6.753 0.101 7.311 1.00 . A A . 20 PRO C 1 1 4 1665 1 1 20 PRO CA C -6.642 0.232 8.843 1.00 . A A . 20 PRO CA 1 1 4 1666 1 1 20 PRO CB C -7.214 1.564 9.322 1.00 . A A . 20 PRO CB 1 1 4 1667 1 1 20 PRO CD C -4.848 1.614 9.779 1.00 . A A . 20 PRO CD 1 1 4 1668 1 1 20 PRO CG C -6.035 2.475 9.435 1.00 . A A . 20 PRO CG 1 1 4 1669 1 1 20 PRO HA H -7.162 -0.580 9.326 1.00 . A A . 20 PRO HA 1 1 4 1670 1 1 20 PRO HB2 H -7.922 1.949 8.600 1.00 . A A . 20 PRO HB2 1 1 4 1671 1 1 20 PRO HB3 H -7.684 1.447 10.285 1.00 . A A . 20 PRO HB3 1 1 4 1672 1 1 20 PRO HD2 H -3.966 1.974 9.268 1.00 . A A . 20 PRO HD2 1 1 4 1673 1 1 20 PRO HD3 H -4.692 1.592 10.844 1.00 . A A . 20 PRO HD3 1 1 4 1674 1 1 20 PRO HG2 H -5.869 2.981 8.494 1.00 . A A . 20 PRO HG2 1 1 4 1675 1 1 20 PRO HG3 H -6.200 3.197 10.220 1.00 . A A . 20 PRO HG3 1 1 4 1676 1 1 20 PRO N N -5.225 0.277 9.292 1.00 . A A . 20 PRO N 1 1 4 1677 1 1 20 PRO O O -7.846 0.073 6.776 1.00 . A A . 20 PRO O 1 1 4 1678 1 1 21 TYR C C -4.823 -1.261 4.620 1.00 . A A . 21 TYR C 1 1 4 1679 1 1 21 TYR CA C -5.724 -0.122 5.108 1.00 . A A . 21 TYR CA 1 1 4 1680 1 1 21 TYR CB C -5.241 1.220 4.542 1.00 . A A . 21 TYR CB 1 1 4 1681 1 1 21 TYR CD1 C -7.407 2.352 5.196 1.00 . A A . 21 TYR CD1 1 1 4 1682 1 1 21 TYR CD2 C -5.305 3.424 5.757 1.00 . A A . 21 TYR CD2 1 1 4 1683 1 1 21 TYR CE1 C -8.105 3.409 5.795 1.00 . A A . 21 TYR CE1 1 1 4 1684 1 1 21 TYR CE2 C -6.002 4.480 6.354 1.00 . A A . 21 TYR CE2 1 1 4 1685 1 1 21 TYR CG C -6.004 2.360 5.178 1.00 . A A . 21 TYR CG 1 1 4 1686 1 1 21 TYR CZ C -7.403 4.472 6.373 1.00 . A A . 21 TYR CZ 1 1 4 1687 1 1 21 TYR H H -4.769 0.023 7.046 1.00 . A A . 21 TYR H 1 1 4 1688 1 1 21 TYR HA H -6.744 -0.301 4.802 1.00 . A A . 21 TYR HA 1 1 4 1689 1 1 21 TYR HB2 H -4.187 1.336 4.747 1.00 . A A . 21 TYR HB2 1 1 4 1690 1 1 21 TYR HB3 H -5.401 1.235 3.474 1.00 . A A . 21 TYR HB3 1 1 4 1691 1 1 21 TYR HD1 H -7.949 1.532 4.750 1.00 . A A . 21 TYR HD1 1 1 4 1692 1 1 21 TYR HD2 H -4.226 3.432 5.741 1.00 . A A . 21 TYR HD2 1 1 4 1693 1 1 21 TYR HE1 H -9.185 3.404 5.809 1.00 . A A . 21 TYR HE1 1 1 4 1694 1 1 21 TYR HE2 H -5.461 5.300 6.799 1.00 . A A . 21 TYR HE2 1 1 4 1695 1 1 21 TYR HH H -8.059 6.264 6.363 1.00 . A A . 21 TYR HH 1 1 4 1696 1 1 21 TYR N N -5.646 0.010 6.601 1.00 . A A . 21 TYR N 1 1 4 1697 1 1 21 TYR O O -3.908 -1.683 5.303 1.00 . A A . 21 TYR O 1 1 4 1698 1 1 21 TYR OH O -8.088 5.514 6.962 1.00 . A A . 21 TYR OH 1 1 4 1699 1 1 22 THR C C -3.919 -2.619 1.411 1.00 . A A . 22 THR C 1 1 4 1700 1 1 22 THR CA C -4.252 -2.879 2.887 1.00 . A A . 22 THR CA 1 1 4 1701 1 1 22 THR CB C -5.123 -4.137 3.026 1.00 . A A . 22 THR CB 1 1 4 1702 1 1 22 THR CG2 C -5.302 -4.487 4.508 1.00 . A A . 22 THR CG2 1 1 4 1703 1 1 22 THR H H -5.826 -1.404 2.910 1.00 . A A . 22 THR H 1 1 4 1704 1 1 22 THR HA H -3.347 -2.994 3.462 1.00 . A A . 22 THR HA 1 1 4 1705 1 1 22 THR HB H -4.640 -4.961 2.525 1.00 . A A . 22 THR HB 1 1 4 1706 1 1 22 THR HG1 H -6.927 -3.388 3.041 1.00 . A A . 22 THR HG1 1 1 4 1707 1 1 22 THR HG21 H -5.582 -5.526 4.601 1.00 . A A . 22 THR HG21 1 1 4 1708 1 1 22 THR HG22 H -4.373 -4.317 5.034 1.00 . A A . 22 THR HG22 1 1 4 1709 1 1 22 THR HG23 H -6.076 -3.865 4.935 1.00 . A A . 22 THR HG23 1 1 4 1710 1 1 22 THR N N -5.081 -1.762 3.438 1.00 . A A . 22 THR N 1 1 4 1711 1 1 22 THR O O -4.623 -1.904 0.724 1.00 . A A . 22 THR O 1 1 4 1712 1 1 22 THR OG1 O -6.398 -3.908 2.430 1.00 . A A . 22 THR OG1 1 1 4 1713 1 1 23 CYS C C -2.821 -4.236 -1.340 1.00 . A A . 23 CYS C 1 1 4 1714 1 1 23 CYS CA C -2.472 -2.995 -0.514 1.00 . A A . 23 CYS CA 1 1 4 1715 1 1 23 CYS CB C -0.956 -2.776 -0.509 1.00 . A A . 23 CYS CB 1 1 4 1716 1 1 23 CYS H H -2.302 -3.779 1.492 1.00 . A A . 23 CYS H 1 1 4 1717 1 1 23 CYS HA H -2.968 -2.123 -0.913 1.00 . A A . 23 CYS HA 1 1 4 1718 1 1 23 CYS HB2 H -0.478 -3.584 0.025 1.00 . A A . 23 CYS HB2 1 1 4 1719 1 1 23 CYS HB3 H -0.594 -2.756 -1.527 1.00 . A A . 23 CYS HB3 1 1 4 1720 1 1 23 CYS N N -2.852 -3.201 0.920 1.00 . A A . 23 CYS N 1 1 4 1721 1 1 23 CYS O O -2.679 -5.356 -0.883 1.00 . A A . 23 CYS O 1 1 4 1722 1 1 23 CYS SG S -0.566 -1.204 0.298 1.00 . A A . 23 CYS SG 1 1 4 1723 1 1 24 THR C C -2.344 -5.791 -4.083 1.00 . A A . 24 THR C 1 1 4 1724 1 1 24 THR CA C -3.610 -5.220 -3.421 1.00 . A A . 24 THR CA 1 1 4 1725 1 1 24 THR CB C -4.582 -4.677 -4.478 1.00 . A A . 24 THR CB 1 1 4 1726 1 1 24 THR CG2 C -3.847 -3.742 -5.445 1.00 . A A . 24 THR CG2 1 1 4 1727 1 1 24 THR H H -3.361 -3.136 -2.906 1.00 . A A . 24 THR H 1 1 4 1728 1 1 24 THR HA H -4.099 -5.983 -2.834 1.00 . A A . 24 THR HA 1 1 4 1729 1 1 24 THR HB H -5.375 -4.130 -3.990 1.00 . A A . 24 THR HB 1 1 4 1730 1 1 24 THR HG1 H -6.048 -5.544 -5.422 1.00 . A A . 24 THR HG1 1 1 4 1731 1 1 24 THR HG21 H -4.493 -2.918 -5.709 1.00 . A A . 24 THR HG21 1 1 4 1732 1 1 24 THR HG22 H -2.955 -3.361 -4.970 1.00 . A A . 24 THR HG22 1 1 4 1733 1 1 24 THR HG23 H -3.576 -4.286 -6.337 1.00 . A A . 24 THR HG23 1 1 4 1734 1 1 24 THR N N -3.264 -4.047 -2.557 1.00 . A A . 24 THR N 1 1 4 1735 1 1 24 THR O O -2.332 -6.919 -4.539 1.00 . A A . 24 THR O 1 1 4 1736 1 1 24 THR OG1 O -5.138 -5.764 -5.206 1.00 . A A . 24 THR OG1 1 1 4 1737 1 1 25 SER C C 1.186 -5.213 -3.866 1.00 . A A . 25 SER C 1 1 4 1738 1 1 25 SER CA C -0.018 -5.517 -4.768 1.00 . A A . 25 SER CA 1 1 4 1739 1 1 25 SER CB C 0.091 -4.746 -6.085 1.00 . A A . 25 SER CB 1 1 4 1740 1 1 25 SER H H -1.313 -4.117 -3.763 1.00 . A A . 25 SER H 1 1 4 1741 1 1 25 SER HA H -0.085 -6.574 -4.965 1.00 . A A . 25 SER HA 1 1 4 1742 1 1 25 SER HB2 H -0.103 -3.702 -5.910 1.00 . A A . 25 SER HB2 1 1 4 1743 1 1 25 SER HB3 H 1.089 -4.861 -6.485 1.00 . A A . 25 SER HB3 1 1 4 1744 1 1 25 SER HG H -1.570 -4.603 -7.091 1.00 . A A . 25 SER HG 1 1 4 1745 1 1 25 SER N N -1.281 -5.022 -4.137 1.00 . A A . 25 SER N 1 1 4 1746 1 1 25 SER O O 1.067 -4.538 -2.859 1.00 . A A . 25 SER O 1 1 4 1747 1 1 25 SER OG O -0.866 -5.251 -7.008 1.00 . A A . 25 SER OG 1 1 4 1748 1 1 26 ASP C C 4.422 -4.348 -4.021 1.00 . A A . 26 ASP C 1 1 4 1749 1 1 26 ASP CA C 3.565 -5.454 -3.393 1.00 . A A . 26 ASP CA 1 1 4 1750 1 1 26 ASP CB C 4.326 -6.783 -3.387 1.00 . A A . 26 ASP CB 1 1 4 1751 1 1 26 ASP CG C 3.844 -7.640 -2.215 1.00 . A A . 26 ASP CG 1 1 4 1752 1 1 26 ASP H H 2.414 -6.247 -5.038 1.00 . A A . 26 ASP H 1 1 4 1753 1 1 26 ASP HA H 3.286 -5.186 -2.387 1.00 . A A . 26 ASP HA 1 1 4 1754 1 1 26 ASP HB2 H 4.146 -7.305 -4.315 1.00 . A A . 26 ASP HB2 1 1 4 1755 1 1 26 ASP HB3 H 5.383 -6.592 -3.280 1.00 . A A . 26 ASP HB3 1 1 4 1756 1 1 26 ASP N N 2.346 -5.708 -4.223 1.00 . A A . 26 ASP N 1 1 4 1757 1 1 26 ASP O O 5.079 -3.594 -3.329 1.00 . A A . 26 ASP O 1 1 4 1758 1 1 26 ASP OD1 O 4.395 -7.497 -1.136 1.00 . A A . 26 ASP OD1 1 1 4 1759 1 1 26 ASP OD2 O 2.932 -8.425 -2.417 1.00 . A A . 26 ASP OD2 1 1 4 1760 1 1 27 TYR C C 4.378 -1.941 -6.227 1.00 . A A . 27 TYR C 1 1 4 1761 1 1 27 TYR CA C 5.232 -3.190 -6.005 1.00 . A A . 27 TYR CA 1 1 4 1762 1 1 27 TYR CB C 5.654 -3.800 -7.348 1.00 . A A . 27 TYR CB 1 1 4 1763 1 1 27 TYR CD1 C 7.496 -5.159 -6.287 1.00 . A A . 27 TYR CD1 1 1 4 1764 1 1 27 TYR CD2 C 5.895 -6.285 -7.718 1.00 . A A . 27 TYR CD2 1 1 4 1765 1 1 27 TYR CE1 C 8.155 -6.373 -6.068 1.00 . A A . 27 TYR CE1 1 1 4 1766 1 1 27 TYR CE2 C 6.555 -7.501 -7.499 1.00 . A A . 27 TYR CE2 1 1 4 1767 1 1 27 TYR CG C 6.367 -5.113 -7.113 1.00 . A A . 27 TYR CG 1 1 4 1768 1 1 27 TYR CZ C 7.685 -7.544 -6.673 1.00 . A A . 27 TYR CZ 1 1 4 1769 1 1 27 TYR H H 3.881 -4.867 -5.863 1.00 . A A . 27 TYR H 1 1 4 1770 1 1 27 TYR HA H 6.102 -2.950 -5.420 1.00 . A A . 27 TYR HA 1 1 4 1771 1 1 27 TYR HB2 H 4.778 -3.970 -7.955 1.00 . A A . 27 TYR HB2 1 1 4 1772 1 1 27 TYR HB3 H 6.318 -3.118 -7.857 1.00 . A A . 27 TYR HB3 1 1 4 1773 1 1 27 TYR HD1 H 7.860 -4.256 -5.820 1.00 . A A . 27 TYR HD1 1 1 4 1774 1 1 27 TYR HD2 H 5.024 -6.252 -8.355 1.00 . A A . 27 TYR HD2 1 1 4 1775 1 1 27 TYR HE1 H 9.026 -6.406 -5.430 1.00 . A A . 27 TYR HE1 1 1 4 1776 1 1 27 TYR HE2 H 6.192 -8.404 -7.966 1.00 . A A . 27 TYR HE2 1 1 4 1777 1 1 27 TYR HH H 8.997 -8.847 -7.146 1.00 . A A . 27 TYR HH 1 1 4 1778 1 1 27 TYR N N 4.419 -4.247 -5.327 1.00 . A A . 27 TYR N 1 1 4 1779 1 1 27 TYR O O 4.753 -0.846 -5.851 1.00 . A A . 27 TYR O 1 1 4 1780 1 1 27 TYR OH O 8.336 -8.741 -6.458 1.00 . A A . 27 TYR OH 1 1 4 1781 1 1 28 TYR C C 0.879 -1.328 -6.759 1.00 . A A . 28 TYR C 1 1 4 1782 1 1 28 TYR CA C 2.329 -0.940 -7.074 1.00 . A A . 28 TYR CA 1 1 4 1783 1 1 28 TYR CB C 2.498 -0.606 -8.560 1.00 . A A . 28 TYR CB 1 1 4 1784 1 1 28 TYR CD1 C 1.706 1.755 -8.138 1.00 . A A . 28 TYR CD1 1 1 4 1785 1 1 28 TYR CD2 C 0.772 0.527 -10.010 1.00 . A A . 28 TYR CD2 1 1 4 1786 1 1 28 TYR CE1 C 0.909 2.859 -8.464 1.00 . A A . 28 TYR CE1 1 1 4 1787 1 1 28 TYR CE2 C -0.026 1.631 -10.335 1.00 . A A . 28 TYR CE2 1 1 4 1788 1 1 28 TYR CG C 1.638 0.589 -8.912 1.00 . A A . 28 TYR CG 1 1 4 1789 1 1 28 TYR CZ C 0.042 2.796 -9.562 1.00 . A A . 28 TYR CZ 1 1 4 1790 1 1 28 TYR H H 2.954 -3.002 -7.109 1.00 . A A . 28 TYR H 1 1 4 1791 1 1 28 TYR HA H 2.632 -0.098 -6.470 1.00 . A A . 28 TYR HA 1 1 4 1792 1 1 28 TYR HB2 H 3.534 -0.375 -8.761 1.00 . A A . 28 TYR HB2 1 1 4 1793 1 1 28 TYR HB3 H 2.196 -1.454 -9.156 1.00 . A A . 28 TYR HB3 1 1 4 1794 1 1 28 TYR HD1 H 2.373 1.804 -7.291 1.00 . A A . 28 TYR HD1 1 1 4 1795 1 1 28 TYR HD2 H 0.718 -0.372 -10.606 1.00 . A A . 28 TYR HD2 1 1 4 1796 1 1 28 TYR HE1 H 0.961 3.757 -7.868 1.00 . A A . 28 TYR HE1 1 1 4 1797 1 1 28 TYR HE2 H -0.693 1.583 -11.182 1.00 . A A . 28 TYR HE2 1 1 4 1798 1 1 28 TYR HH H -0.245 4.445 -10.483 1.00 . A A . 28 TYR HH 1 1 4 1799 1 1 28 TYR N N 3.228 -2.105 -6.827 1.00 . A A . 28 TYR N 1 1 4 1800 1 1 28 TYR O O 0.150 -1.793 -7.615 1.00 . A A . 28 TYR O 1 1 4 1801 1 1 28 TYR OH O -0.744 3.884 -9.884 1.00 . A A . 28 TYR OH 1 1 4 1802 1 1 29 GLY C C -1.632 -0.278 -4.544 1.00 . A A . 29 GLY C 1 1 4 1803 1 1 29 GLY CA C -0.933 -1.498 -5.144 1.00 . A A . 29 GLY CA 1 1 4 1804 1 1 29 GLY H H 1.075 -0.770 -4.860 1.00 . A A . 29 GLY H 1 1 4 1805 1 1 29 GLY HA2 H -1.476 -1.831 -6.018 1.00 . A A . 29 GLY HA2 1 1 4 1806 1 1 29 GLY HA3 H -0.910 -2.291 -4.413 1.00 . A A . 29 GLY HA3 1 1 4 1807 1 1 29 GLY N N 0.464 -1.142 -5.532 1.00 . A A . 29 GLY N 1 1 4 1808 1 1 29 GLY O O -1.003 0.706 -4.198 1.00 . A A . 29 GLY O 1 1 4 1809 1 1 30 ASN C C -4.446 0.368 -2.576 1.00 . A A . 30 ASN C 1 1 4 1810 1 1 30 ASN CA C -3.690 0.811 -3.833 1.00 . A A . 30 ASN CA 1 1 4 1811 1 1 30 ASN CB C -4.675 1.233 -4.927 1.00 . A A . 30 ASN CB 1 1 4 1812 1 1 30 ASN CG C -3.943 2.070 -5.981 1.00 . A A . 30 ASN CG 1 1 4 1813 1 1 30 ASN H H -3.413 -1.143 -4.698 1.00 . A A . 30 ASN H 1 1 4 1814 1 1 30 ASN HA H -3.022 1.627 -3.604 1.00 . A A . 30 ASN HA 1 1 4 1815 1 1 30 ASN HB2 H -5.094 0.352 -5.392 1.00 . A A . 30 ASN HB2 1 1 4 1816 1 1 30 ASN HB3 H -5.468 1.821 -4.491 1.00 . A A . 30 ASN HB3 1 1 4 1817 1 1 30 ASN HD21 H -4.932 3.740 -5.554 1.00 . A A . 30 ASN HD21 1 1 4 1818 1 1 30 ASN HD22 H -3.775 3.878 -6.789 1.00 . A A . 30 ASN HD22 1 1 4 1819 1 1 30 ASN N N -2.933 -0.338 -4.414 1.00 . A A . 30 ASN N 1 1 4 1820 1 1 30 ASN ND2 N -4.242 3.334 -6.119 1.00 . A A . 30 ASN ND2 1 1 4 1821 1 1 30 ASN O O -4.639 -0.810 -2.336 1.00 . A A . 30 ASN O 1 1 4 1822 1 1 30 ASN OD1 O -3.090 1.570 -6.687 1.00 . A A . 30 ASN OD1 1 1 4 1823 1 1 31 CYS C C -6.981 1.707 -0.518 1.00 . A A . 31 CYS C 1 1 4 1824 1 1 31 CYS CA C -5.637 0.966 -0.534 1.00 . A A . 31 CYS CA 1 1 4 1825 1 1 31 CYS CB C -4.744 1.439 0.621 1.00 . A A . 31 CYS CB 1 1 4 1826 1 1 31 CYS H H -4.715 2.252 -2.000 1.00 . A A . 31 CYS H 1 1 4 1827 1 1 31 CYS HA H -5.793 -0.099 -0.468 1.00 . A A . 31 CYS HA 1 1 4 1828 1 1 31 CYS HB2 H -4.668 2.516 0.601 1.00 . A A . 31 CYS HB2 1 1 4 1829 1 1 31 CYS HB3 H -5.176 1.126 1.560 1.00 . A A . 31 CYS HB3 1 1 4 1830 1 1 31 CYS N N -4.883 1.311 -1.778 1.00 . A A . 31 CYS N 1 1 4 1831 1 1 31 CYS O O -7.175 2.666 -1.243 1.00 . A A . 31 CYS O 1 1 4 1832 1 1 31 CYS SG S -3.093 0.717 0.451 1.00 . A A . 31 CYS SG 1 1 4 1833 1 1 32 SER C C -10.084 1.376 1.512 1.00 . A A . 32 SER C 1 1 4 1834 1 1 32 SER CA C -9.246 1.951 0.363 1.00 . A A . 32 SER CA 1 1 4 1835 1 1 32 SER CB C -9.917 1.668 -0.990 1.00 . A A . 32 SER CB 1 1 4 1836 1 1 32 SER H H -7.731 0.495 0.872 1.00 . A A . 32 SER H 1 1 4 1837 1 1 32 SER HA H -9.117 3.015 0.492 1.00 . A A . 32 SER HA 1 1 4 1838 1 1 32 SER HB2 H -10.956 1.948 -0.942 1.00 . A A . 32 SER HB2 1 1 4 1839 1 1 32 SER HB3 H -9.428 2.248 -1.762 1.00 . A A . 32 SER HB3 1 1 4 1840 1 1 32 SER HG H -10.282 0.125 -2.122 1.00 . A A . 32 SER HG 1 1 4 1841 1 1 32 SER N N -7.911 1.271 0.298 1.00 . A A . 32 SER N 1 1 4 1842 1 1 32 SER O O -10.164 0.161 1.621 1.00 . A A . 32 SER O 1 1 4 1843 1 1 32 SER OXT O -10.635 2.162 2.266 1.00 . A A . 32 SER OXT 1 1 4 1844 1 1 32 SER OG O -9.824 0.279 -1.292 1.00 . A A . 32 SER OG 1 1 5 1845 1 1 1 CYS C C 1.970 4.822 5.489 1.00 . A A . 1 CYS C 1 1 5 1846 1 1 1 CYS CA C 2.502 3.887 6.581 1.00 . A A . 1 CYS CA 1 1 5 1847 1 1 1 CYS CB C 1.357 3.442 7.498 1.00 . A A . 1 CYS CB 1 1 5 1848 1 1 1 CYS H1 H 3.862 5.413 6.965 1.00 . A A . 1 CYS H1 1 1 5 1849 1 1 1 CYS H2 H 2.975 4.938 8.312 1.00 . A A . 1 CYS H2 1 1 5 1850 1 1 1 CYS H3 H 2.786 6.135 4.494 1.00 . A A . 1 CYS H3 1 1 5 1851 1 1 1 CYS HA H 2.973 3.023 6.138 1.00 . A A . 1 CYS HA 1 1 5 1852 1 1 1 CYS HB2 H 0.764 2.697 6.988 1.00 . A A . 1 CYS HB2 1 1 5 1853 1 1 1 CYS HB3 H 1.763 3.018 8.405 1.00 . A A . 1 CYS HB3 1 1 5 1854 1 1 1 CYS N N 3.466 4.607 7.470 1.00 . A A . 1 CYS N 1 1 5 1855 1 1 1 CYS O O 2.340 5.980 5.409 1.00 . A A . 1 CYS O 1 1 5 1856 1 1 1 CYS SG S 0.318 4.878 7.906 1.00 . A A . 1 CYS SG 1 1 5 1857 1 1 2 ILE C C -0.992 5.376 3.860 1.00 . A A . 2 ILE C 1 1 5 1858 1 1 2 ILE CA C 0.502 5.165 3.579 1.00 . A A . 2 ILE CA 1 1 5 1859 1 1 2 ILE CB C 0.707 4.352 2.293 1.00 . A A . 2 ILE CB 1 1 5 1860 1 1 2 ILE CD1 C 2.771 2.994 1.873 1.00 . A A . 2 ILE CD1 1 1 5 1861 1 1 2 ILE CG1 C 2.183 4.405 1.879 1.00 . A A . 2 ILE CG1 1 1 5 1862 1 1 2 ILE CG2 C -0.153 4.925 1.161 1.00 . A A . 2 ILE CG2 1 1 5 1863 1 1 2 ILE H H 0.804 3.391 4.761 1.00 . A A . 2 ILE H 1 1 5 1864 1 1 2 ILE HA H 1.016 6.111 3.508 1.00 . A A . 2 ILE HA 1 1 5 1865 1 1 2 ILE HB H 0.418 3.328 2.475 1.00 . A A . 2 ILE HB 1 1 5 1866 1 1 2 ILE HD11 H 3.619 2.955 2.540 1.00 . A A . 2 ILE HD11 1 1 5 1867 1 1 2 ILE HD12 H 2.022 2.288 2.202 1.00 . A A . 2 ILE HD12 1 1 5 1868 1 1 2 ILE HD13 H 3.088 2.740 0.873 1.00 . A A . 2 ILE HD13 1 1 5 1869 1 1 2 ILE HG12 H 2.262 4.832 0.889 1.00 . A A . 2 ILE HG12 1 1 5 1870 1 1 2 ILE HG13 H 2.731 5.019 2.578 1.00 . A A . 2 ILE HG13 1 1 5 1871 1 1 2 ILE HG21 H -1.190 4.925 1.461 1.00 . A A . 2 ILE HG21 1 1 5 1872 1 1 2 ILE HG22 H 0.161 5.937 0.948 1.00 . A A . 2 ILE HG22 1 1 5 1873 1 1 2 ILE HG23 H -0.034 4.318 0.277 1.00 . A A . 2 ILE HG23 1 1 5 1874 1 1 2 ILE N N 1.090 4.324 4.662 1.00 . A A . 2 ILE N 1 1 5 1875 1 1 2 ILE O O -1.650 4.489 4.376 1.00 . A A . 2 ILE O 1 1 5 1876 1 1 3 PRO C C -3.798 6.018 2.787 1.00 . A A . 3 PRO C 1 1 5 1877 1 1 3 PRO CA C -2.921 6.847 3.730 1.00 . A A . 3 PRO CA 1 1 5 1878 1 1 3 PRO CB C -3.024 8.333 3.401 1.00 . A A . 3 PRO CB 1 1 5 1879 1 1 3 PRO CD C -0.773 7.662 2.884 1.00 . A A . 3 PRO CD 1 1 5 1880 1 1 3 PRO CG C -1.877 8.603 2.483 1.00 . A A . 3 PRO CG 1 1 5 1881 1 1 3 PRO HA H -3.195 6.675 4.758 1.00 . A A . 3 PRO HA 1 1 5 1882 1 1 3 PRO HB2 H -3.964 8.542 2.906 1.00 . A A . 3 PRO HB2 1 1 5 1883 1 1 3 PRO HB3 H -2.929 8.925 4.296 1.00 . A A . 3 PRO HB3 1 1 5 1884 1 1 3 PRO HD2 H -0.223 7.333 2.012 1.00 . A A . 3 PRO HD2 1 1 5 1885 1 1 3 PRO HD3 H -0.114 8.130 3.597 1.00 . A A . 3 PRO HD3 1 1 5 1886 1 1 3 PRO HG2 H -2.172 8.419 1.459 1.00 . A A . 3 PRO HG2 1 1 5 1887 1 1 3 PRO HG3 H -1.544 9.624 2.595 1.00 . A A . 3 PRO HG3 1 1 5 1888 1 1 3 PRO N N -1.485 6.537 3.510 1.00 . A A . 3 PRO N 1 1 5 1889 1 1 3 PRO O O -3.393 5.671 1.695 1.00 . A A . 3 PRO O 1 1 5 1890 1 1 4 LYS C C -6.186 5.633 1.018 1.00 . A A . 4 LYS C 1 1 5 1891 1 1 4 LYS CA C -5.905 4.891 2.331 1.00 . A A . 4 LYS CA 1 1 5 1892 1 1 4 LYS CB C -7.196 4.705 3.137 1.00 . A A . 4 LYS CB 1 1 5 1893 1 1 4 LYS CD C -9.376 5.762 3.774 1.00 . A A . 4 LYS CD 1 1 5 1894 1 1 4 LYS CE C -10.001 7.083 4.239 1.00 . A A . 4 LYS CE 1 1 5 1895 1 1 4 LYS CG C -7.980 6.023 3.199 1.00 . A A . 4 LYS CG 1 1 5 1896 1 1 4 LYS H H -5.296 5.979 4.091 1.00 . A A . 4 LYS H 1 1 5 1897 1 1 4 LYS HA H -5.464 3.930 2.126 1.00 . A A . 4 LYS HA 1 1 5 1898 1 1 4 LYS HB2 H -7.804 3.947 2.666 1.00 . A A . 4 LYS HB2 1 1 5 1899 1 1 4 LYS HB3 H -6.946 4.393 4.136 1.00 . A A . 4 LYS HB3 1 1 5 1900 1 1 4 LYS HD2 H -10.000 5.317 3.012 1.00 . A A . 4 LYS HD2 1 1 5 1901 1 1 4 LYS HD3 H -9.299 5.088 4.614 1.00 . A A . 4 LYS HD3 1 1 5 1902 1 1 4 LYS HE2 H -9.540 7.412 5.160 1.00 . A A . 4 LYS HE2 1 1 5 1903 1 1 4 LYS HE3 H -9.897 7.838 3.475 1.00 . A A . 4 LYS HE3 1 1 5 1904 1 1 4 LYS HG2 H -7.454 6.724 3.830 1.00 . A A . 4 LYS HG2 1 1 5 1905 1 1 4 LYS HG3 H -8.074 6.434 2.205 1.00 . A A . 4 LYS HG3 1 1 5 1906 1 1 4 LYS HZ1 H -11.588 5.758 4.454 1.00 . A A . 4 LYS HZ1 1 1 5 1907 1 1 4 LYS HZ3 H -12.007 7.207 3.711 1.00 . A A . 4 LYS HZ3 1 1 5 1908 1 1 4 LYS N N -4.996 5.695 3.203 1.00 . A A . 4 LYS N 1 1 5 1909 1 1 4 LYS NZ N -11.447 6.778 4.461 1.00 . A A . 4 LYS NZ 1 1 5 1910 1 1 4 LYS O O -5.886 6.806 0.879 1.00 . A A . 4 LYS O 1 1 5 1911 1 1 5 TRP C C -5.803 6.178 -1.906 1.00 . A A . 5 TRP C 1 1 5 1912 1 1 5 TRP CA C -7.069 5.585 -1.265 1.00 . A A . 5 TRP CA 1 1 5 1913 1 1 5 TRP CB C -8.099 6.676 -0.964 1.00 . A A . 5 TRP CB 1 1 5 1914 1 1 5 TRP CD1 C -10.019 5.396 0.041 1.00 . A A . 5 TRP CD1 1 1 5 1915 1 1 5 TRP CD2 C -10.428 6.036 -2.073 1.00 . A A . 5 TRP CD2 1 1 5 1916 1 1 5 TRP CE2 C -11.574 5.334 -1.634 1.00 . A A . 5 TRP CE2 1 1 5 1917 1 1 5 TRP CE3 C -10.424 6.548 -3.382 1.00 . A A . 5 TRP CE3 1 1 5 1918 1 1 5 TRP CG C -9.459 6.066 -0.987 1.00 . A A . 5 TRP CG 1 1 5 1919 1 1 5 TRP CH2 C -12.659 5.660 -3.761 1.00 . A A . 5 TRP CH2 1 1 5 1920 1 1 5 TRP CZ2 C -12.679 5.148 -2.463 1.00 . A A . 5 TRP CZ2 1 1 5 1921 1 1 5 TRP CZ3 C -11.535 6.361 -4.221 1.00 . A A . 5 TRP CZ3 1 1 5 1922 1 1 5 TRP H H -6.983 4.010 0.203 1.00 . A A . 5 TRP H 1 1 5 1923 1 1 5 TRP HA H -7.511 4.853 -1.924 1.00 . A A . 5 TRP HA 1 1 5 1924 1 1 5 TRP HB2 H -7.908 7.100 0.012 1.00 . A A . 5 TRP HB2 1 1 5 1925 1 1 5 TRP HB3 H -8.037 7.451 -1.713 1.00 . A A . 5 TRP HB3 1 1 5 1926 1 1 5 TRP HD1 H -9.559 5.228 1.000 1.00 . A A . 5 TRP HD1 1 1 5 1927 1 1 5 TRP HE1 H -11.895 4.457 0.229 1.00 . A A . 5 TRP HE1 1 1 5 1928 1 1 5 TRP HE3 H -9.561 7.088 -3.744 1.00 . A A . 5 TRP HE3 1 1 5 1929 1 1 5 TRP HH2 H -13.508 5.516 -4.409 1.00 . A A . 5 TRP HH2 1 1 5 1930 1 1 5 TRP HZ2 H -13.543 4.608 -2.104 1.00 . A A . 5 TRP HZ2 1 1 5 1931 1 1 5 TRP HZ3 H -11.522 6.757 -5.226 1.00 . A A . 5 TRP HZ3 1 1 5 1932 1 1 5 TRP N N -6.758 4.951 0.056 1.00 . A A . 5 TRP N 1 1 5 1933 1 1 5 TRP NE1 N -11.277 4.964 -0.337 1.00 . A A . 5 TRP NE1 1 1 5 1934 1 1 5 TRP O O -5.876 7.093 -2.705 1.00 . A A . 5 TRP O 1 1 5 1935 1 1 6 ASN C C -2.486 5.016 -2.615 1.00 . A A . 6 ASN C 1 1 5 1936 1 1 6 ASN CA C -3.378 6.181 -2.168 1.00 . A A . 6 ASN CA 1 1 5 1937 1 1 6 ASN CB C -2.694 6.974 -1.049 1.00 . A A . 6 ASN CB 1 1 5 1938 1 1 6 ASN CG C -3.244 8.403 -1.008 1.00 . A A . 6 ASN CG 1 1 5 1939 1 1 6 ASN H H -4.609 4.913 -0.931 1.00 . A A . 6 ASN H 1 1 5 1940 1 1 6 ASN HA H -3.596 6.830 -3.000 1.00 . A A . 6 ASN HA 1 1 5 1941 1 1 6 ASN HB2 H -2.880 6.491 -0.104 1.00 . A A . 6 ASN HB2 1 1 5 1942 1 1 6 ASN HB3 H -1.631 7.006 -1.230 1.00 . A A . 6 ASN HB3 1 1 5 1943 1 1 6 ASN HD21 H -4.325 8.101 0.633 1.00 . A A . 6 ASN HD21 1 1 5 1944 1 1 6 ASN HD22 H -4.414 9.666 -0.017 1.00 . A A . 6 ASN HD22 1 1 5 1945 1 1 6 ASN N N -4.645 5.656 -1.571 1.00 . A A . 6 ASN N 1 1 5 1946 1 1 6 ASN ND2 N -4.063 8.752 -0.052 1.00 . A A . 6 ASN ND2 1 1 5 1947 1 1 6 ASN O O -2.632 3.898 -2.155 1.00 . A A . 6 ASN O 1 1 5 1948 1 1 6 ASN OD1 O -2.920 9.214 -1.853 1.00 . A A . 6 ASN OD1 1 1 5 1949 1 1 7 ARG C C 0.339 3.790 -2.879 1.00 . A A . 7 ARG C 1 1 5 1950 1 1 7 ARG CA C -0.652 4.183 -3.985 1.00 . A A . 7 ARG CA 1 1 5 1951 1 1 7 ARG CB C 0.088 4.759 -5.204 1.00 . A A . 7 ARG CB 1 1 5 1952 1 1 7 ARG CD C 2.002 6.219 -5.897 1.00 . A A . 7 ARG CD 1 1 5 1953 1 1 7 ARG CG C 0.992 5.925 -4.782 1.00 . A A . 7 ARG CG 1 1 5 1954 1 1 7 ARG CZ C 2.347 8.262 -7.155 1.00 . A A . 7 ARG CZ 1 1 5 1955 1 1 7 ARG H H -1.462 6.184 -3.860 1.00 . A A . 7 ARG H 1 1 5 1956 1 1 7 ARG HA H -1.231 3.325 -4.285 1.00 . A A . 7 ARG HA 1 1 5 1957 1 1 7 ARG HB2 H 0.692 3.983 -5.651 1.00 . A A . 7 ARG HB2 1 1 5 1958 1 1 7 ARG HB3 H -0.633 5.111 -5.928 1.00 . A A . 7 ARG HB3 1 1 5 1959 1 1 7 ARG HD2 H 2.984 6.386 -5.477 1.00 . A A . 7 ARG HD2 1 1 5 1960 1 1 7 ARG HD3 H 2.029 5.404 -6.605 1.00 . A A . 7 ARG HD3 1 1 5 1961 1 1 7 ARG HG2 H 0.387 6.803 -4.602 1.00 . A A . 7 ARG HG2 1 1 5 1962 1 1 7 ARG HG3 H 1.524 5.664 -3.880 1.00 . A A . 7 ARG HG3 1 1 5 1963 1 1 7 ARG HH11 H 2.658 7.040 -8.715 1.00 . A A . 7 ARG HH11 1 1 5 1964 1 1 7 ARG HH12 H 3.534 8.535 -8.749 1.00 . A A . 7 ARG HH12 1 1 5 1965 1 1 7 ARG HH21 H 2.236 9.673 -5.735 1.00 . A A . 7 ARG HH21 1 1 5 1966 1 1 7 ARG HH22 H 3.294 10.027 -7.058 1.00 . A A . 7 ARG HH22 1 1 5 1967 1 1 7 ARG N N -1.561 5.274 -3.507 1.00 . A A . 7 ARG N 1 1 5 1968 1 1 7 ARG NE N 1.505 7.457 -6.563 1.00 . A A . 7 ARG NE 1 1 5 1969 1 1 7 ARG NH1 N 2.889 7.920 -8.295 1.00 . A A . 7 ARG NH1 1 1 5 1970 1 1 7 ARG NH2 N 2.650 9.411 -6.607 1.00 . A A . 7 ARG NH2 1 1 5 1971 1 1 7 ARG O O 0.702 4.595 -2.042 1.00 . A A . 7 ARG O 1 1 5 1972 1 1 8 CYS C C 2.719 1.068 -2.417 1.00 . A A . 8 CYS C 1 1 5 1973 1 1 8 CYS CA C 1.738 2.092 -1.828 1.00 . A A . 8 CYS CA 1 1 5 1974 1 1 8 CYS CB C 0.872 1.441 -0.745 1.00 . A A . 8 CYS CB 1 1 5 1975 1 1 8 CYS H H 0.460 1.927 -3.561 1.00 . A A . 8 CYS H 1 1 5 1976 1 1 8 CYS HA H 2.274 2.933 -1.414 1.00 . A A . 8 CYS HA 1 1 5 1977 1 1 8 CYS HB2 H 1.502 1.112 0.068 1.00 . A A . 8 CYS HB2 1 1 5 1978 1 1 8 CYS HB3 H 0.156 2.160 -0.376 1.00 . A A . 8 CYS HB3 1 1 5 1979 1 1 8 CYS N N 0.773 2.554 -2.874 1.00 . A A . 8 CYS N 1 1 5 1980 1 1 8 CYS O O 2.497 0.527 -3.485 1.00 . A A . 8 CYS O 1 1 5 1981 1 1 8 CYS SG S -0.007 0.018 -1.443 1.00 . A A . 8 CYS SG 1 1 5 1982 1 1 9 GLY C C 5.665 -0.692 -1.078 1.00 . A A . 9 GLY C 1 1 5 1983 1 1 9 GLY CA C 4.795 -0.189 -2.237 1.00 . A A . 9 GLY CA 1 1 5 1984 1 1 9 GLY H H 3.953 1.248 -0.866 1.00 . A A . 9 GLY H 1 1 5 1985 1 1 9 GLY HA2 H 4.275 -1.023 -2.688 1.00 . A A . 9 GLY HA2 1 1 5 1986 1 1 9 GLY HA3 H 5.424 0.284 -2.975 1.00 . A A . 9 GLY HA3 1 1 5 1987 1 1 9 GLY N N 3.798 0.800 -1.725 1.00 . A A . 9 GLY N 1 1 5 1988 1 1 9 GLY O O 6.752 -0.192 -0.865 1.00 . A A . 9 GLY O 1 1 5 1989 1 1 10 PRO C C 7.109 -3.065 0.296 1.00 . A A . 10 PRO C 1 1 5 1990 1 1 10 PRO CA C 5.901 -2.252 0.781 1.00 . A A . 10 PRO CA 1 1 5 1991 1 1 10 PRO CB C 4.872 -3.147 1.467 1.00 . A A . 10 PRO CB 1 1 5 1992 1 1 10 PRO CD C 3.855 -2.330 -0.565 1.00 . A A . 10 PRO CD 1 1 5 1993 1 1 10 PRO CG C 3.884 -3.490 0.397 1.00 . A A . 10 PRO CG 1 1 5 1994 1 1 10 PRO HA H 6.221 -1.472 1.453 1.00 . A A . 10 PRO HA 1 1 5 1995 1 1 10 PRO HB2 H 5.346 -4.042 1.846 1.00 . A A . 10 PRO HB2 1 1 5 1996 1 1 10 PRO HB3 H 4.380 -2.613 2.265 1.00 . A A . 10 PRO HB3 1 1 5 1997 1 1 10 PRO HD2 H 3.754 -2.687 -1.581 1.00 . A A . 10 PRO HD2 1 1 5 1998 1 1 10 PRO HD3 H 3.053 -1.652 -0.319 1.00 . A A . 10 PRO HD3 1 1 5 1999 1 1 10 PRO HG2 H 4.192 -4.391 -0.115 1.00 . A A . 10 PRO HG2 1 1 5 2000 1 1 10 PRO HG3 H 2.904 -3.628 0.829 1.00 . A A . 10 PRO HG3 1 1 5 2001 1 1 10 PRO N N 5.156 -1.673 -0.369 1.00 . A A . 10 PRO N 1 1 5 2002 1 1 10 PRO O O 8.129 -3.116 0.955 1.00 . A A . 10 PRO O 1 1 5 2003 1 1 11 LYS C C 9.224 -3.534 -1.987 1.00 . A A . 11 LYS C 1 1 5 2004 1 1 11 LYS CA C 8.169 -4.474 -1.376 1.00 . A A . 11 LYS CA 1 1 5 2005 1 1 11 LYS CB C 7.582 -5.396 -2.449 1.00 . A A . 11 LYS CB 1 1 5 2006 1 1 11 LYS CD C 7.885 -7.495 -1.111 1.00 . A A . 11 LYS CD 1 1 5 2007 1 1 11 LYS CE C 7.316 -8.874 -1.459 1.00 . A A . 11 LYS CE 1 1 5 2008 1 1 11 LYS CG C 8.282 -6.758 -2.395 1.00 . A A . 11 LYS CG 1 1 5 2009 1 1 11 LYS H H 6.183 -3.625 -1.376 1.00 . A A . 11 LYS H 1 1 5 2010 1 1 11 LYS HA H 8.606 -5.064 -0.586 1.00 . A A . 11 LYS HA 1 1 5 2011 1 1 11 LYS HB2 H 6.524 -5.526 -2.274 1.00 . A A . 11 LYS HB2 1 1 5 2012 1 1 11 LYS HB3 H 7.733 -4.955 -3.424 1.00 . A A . 11 LYS HB3 1 1 5 2013 1 1 11 LYS HD2 H 8.756 -7.613 -0.483 1.00 . A A . 11 LYS HD2 1 1 5 2014 1 1 11 LYS HD3 H 7.138 -6.922 -0.583 1.00 . A A . 11 LYS HD3 1 1 5 2015 1 1 11 LYS HE2 H 6.545 -8.782 -2.211 1.00 . A A . 11 LYS HE2 1 1 5 2016 1 1 11 LYS HE3 H 8.101 -9.529 -1.802 1.00 . A A . 11 LYS HE3 1 1 5 2017 1 1 11 LYS HG2 H 7.990 -7.346 -3.254 1.00 . A A . 11 LYS HG2 1 1 5 2018 1 1 11 LYS HG3 H 9.352 -6.612 -2.407 1.00 . A A . 11 LYS HG3 1 1 5 2019 1 1 11 LYS HZ1 H 6.510 -10.390 -0.289 1.00 . A A . 11 LYS HZ1 1 1 5 2020 1 1 11 LYS HZ3 H 5.888 -8.865 0.049 1.00 . A A . 11 LYS HZ3 1 1 5 2021 1 1 11 LYS N N 7.011 -3.687 -0.854 1.00 . A A . 11 LYS N 1 1 5 2022 1 1 11 LYS NZ N 6.742 -9.392 -0.182 1.00 . A A . 11 LYS NZ 1 1 5 2023 1 1 11 LYS O O 10.309 -3.960 -2.337 1.00 . A A . 11 LYS O 1 1 5 2024 1 1 12 MET C C 10.685 -0.588 -1.596 1.00 . A A . 12 MET C 1 1 5 2025 1 1 12 MET CA C 9.890 -1.298 -2.704 1.00 . A A . 12 MET CA 1 1 5 2026 1 1 12 MET CB C 9.032 -0.291 -3.477 1.00 . A A . 12 MET CB 1 1 5 2027 1 1 12 MET CE C 8.648 -0.364 -7.238 1.00 . A A . 12 MET CE 1 1 5 2028 1 1 12 MET CG C 9.734 0.095 -4.781 1.00 . A A . 12 MET CG 1 1 5 2029 1 1 12 MET H H 8.033 -1.943 -1.829 1.00 . A A . 12 MET H 1 1 5 2030 1 1 12 MET HA H 10.560 -1.805 -3.381 1.00 . A A . 12 MET HA 1 1 5 2031 1 1 12 MET HB2 H 8.073 -0.734 -3.702 1.00 . A A . 12 MET HB2 1 1 5 2032 1 1 12 MET HB3 H 8.886 0.594 -2.874 1.00 . A A . 12 MET HB3 1 1 5 2033 1 1 12 MET HE1 H 7.668 -0.118 -6.854 1.00 . A A . 12 MET HE1 1 1 5 2034 1 1 12 MET HE2 H 9.168 0.544 -7.500 1.00 . A A . 12 MET HE2 1 1 5 2035 1 1 12 MET HE3 H 8.550 -0.985 -8.119 1.00 . A A . 12 MET HE3 1 1 5 2036 1 1 12 MET HG2 H 9.276 0.985 -5.186 1.00 . A A . 12 MET HG2 1 1 5 2037 1 1 12 MET HG3 H 10.779 0.289 -4.585 1.00 . A A . 12 MET HG3 1 1 5 2038 1 1 12 MET N N 8.912 -2.264 -2.117 1.00 . A A . 12 MET N 1 1 5 2039 1 1 12 MET O O 11.875 -0.372 -1.727 1.00 . A A . 12 MET O 1 1 5 2040 1 1 12 MET SD S 9.585 -1.260 -5.974 1.00 . A A . 12 MET SD 1 1 5 2041 1 1 13 ASP C C 10.622 -0.267 1.925 1.00 . A A . 13 ASP C 1 1 5 2042 1 1 13 ASP CA C 10.766 0.487 0.593 1.00 . A A . 13 ASP CA 1 1 5 2043 1 1 13 ASP CB C 10.132 1.887 0.666 1.00 . A A . 13 ASP CB 1 1 5 2044 1 1 13 ASP CG C 8.928 1.890 1.614 1.00 . A A . 13 ASP CG 1 1 5 2045 1 1 13 ASP H H 9.073 -0.396 -0.430 1.00 . A A . 13 ASP H 1 1 5 2046 1 1 13 ASP HA H 11.808 0.583 0.345 1.00 . A A . 13 ASP HA 1 1 5 2047 1 1 13 ASP HB2 H 10.870 2.590 1.025 1.00 . A A . 13 ASP HB2 1 1 5 2048 1 1 13 ASP HB3 H 9.809 2.184 -0.320 1.00 . A A . 13 ASP HB3 1 1 5 2049 1 1 13 ASP N N 10.037 -0.216 -0.513 1.00 . A A . 13 ASP N 1 1 5 2050 1 1 13 ASP O O 11.489 -0.194 2.774 1.00 . A A . 13 ASP O 1 1 5 2051 1 1 13 ASP OD1 O 7.860 1.480 1.189 1.00 . A A . 13 ASP OD1 1 1 5 2052 1 1 13 ASP OD2 O 9.097 2.302 2.750 1.00 . A A . 13 ASP OD2 1 1 5 2053 1 1 14 GLY C C 8.222 -1.113 4.216 1.00 . A A . 14 GLY C 1 1 5 2054 1 1 14 GLY CA C 9.355 -1.737 3.390 1.00 . A A . 14 GLY CA 1 1 5 2055 1 1 14 GLY H H 8.856 -1.031 1.419 1.00 . A A . 14 GLY H 1 1 5 2056 1 1 14 GLY HA2 H 9.112 -2.764 3.166 1.00 . A A . 14 GLY HA2 1 1 5 2057 1 1 14 GLY HA3 H 10.269 -1.702 3.964 1.00 . A A . 14 GLY HA3 1 1 5 2058 1 1 14 GLY N N 9.543 -0.985 2.115 1.00 . A A . 14 GLY N 1 1 5 2059 1 1 14 GLY O O 8.144 -1.316 5.412 1.00 . A A . 14 GLY O 1 1 5 2060 1 1 15 VAL C C 4.917 0.173 3.569 1.00 . A A . 15 VAL C 1 1 5 2061 1 1 15 VAL CA C 6.230 0.271 4.362 1.00 . A A . 15 VAL CA 1 1 5 2062 1 1 15 VAL CB C 6.651 1.734 4.547 1.00 . A A . 15 VAL CB 1 1 5 2063 1 1 15 VAL CG1 C 5.479 2.541 5.106 1.00 . A A . 15 VAL CG1 1 1 5 2064 1 1 15 VAL CG2 C 7.831 1.806 5.524 1.00 . A A . 15 VAL CG2 1 1 5 2065 1 1 15 VAL H H 7.422 -0.200 2.632 1.00 . A A . 15 VAL H 1 1 5 2066 1 1 15 VAL HA H 6.123 -0.202 5.325 1.00 . A A . 15 VAL HA 1 1 5 2067 1 1 15 VAL HB H 6.946 2.146 3.594 1.00 . A A . 15 VAL HB 1 1 5 2068 1 1 15 VAL HG11 H 4.866 1.902 5.726 1.00 . A A . 15 VAL HG11 1 1 5 2069 1 1 15 VAL HG12 H 5.853 3.364 5.696 1.00 . A A . 15 VAL HG12 1 1 5 2070 1 1 15 VAL HG13 H 4.885 2.923 4.289 1.00 . A A . 15 VAL HG13 1 1 5 2071 1 1 15 VAL HG21 H 7.533 1.402 6.481 1.00 . A A . 15 VAL HG21 1 1 5 2072 1 1 15 VAL HG22 H 8.657 1.231 5.133 1.00 . A A . 15 VAL HG22 1 1 5 2073 1 1 15 VAL HG23 H 8.135 2.835 5.646 1.00 . A A . 15 VAL HG23 1 1 5 2074 1 1 15 VAL N N 7.346 -0.356 3.596 1.00 . A A . 15 VAL N 1 1 5 2075 1 1 15 VAL O O 4.706 0.914 2.629 1.00 . A A . 15 VAL O 1 1 5 2076 1 1 16 PRO C C 1.780 0.166 3.726 1.00 . A A . 16 PRO C 1 1 5 2077 1 1 16 PRO CA C 2.757 -0.941 3.307 1.00 . A A . 16 PRO CA 1 1 5 2078 1 1 16 PRO CB C 2.279 -2.284 3.853 1.00 . A A . 16 PRO CB 1 1 5 2079 1 1 16 PRO CD C 4.261 -1.685 5.097 1.00 . A A . 16 PRO CD 1 1 5 2080 1 1 16 PRO CG C 2.948 -2.415 5.185 1.00 . A A . 16 PRO CG 1 1 5 2081 1 1 16 PRO HA H 2.867 -0.985 2.236 1.00 . A A . 16 PRO HA 1 1 5 2082 1 1 16 PRO HB2 H 1.204 -2.283 3.966 1.00 . A A . 16 PRO HB2 1 1 5 2083 1 1 16 PRO HB3 H 2.591 -3.086 3.203 1.00 . A A . 16 PRO HB3 1 1 5 2084 1 1 16 PRO HD2 H 4.457 -1.153 6.019 1.00 . A A . 16 PRO HD2 1 1 5 2085 1 1 16 PRO HD3 H 5.062 -2.370 4.874 1.00 . A A . 16 PRO HD3 1 1 5 2086 1 1 16 PRO HG2 H 2.328 -1.967 5.951 1.00 . A A . 16 PRO HG2 1 1 5 2087 1 1 16 PRO HG3 H 3.123 -3.453 5.413 1.00 . A A . 16 PRO HG3 1 1 5 2088 1 1 16 PRO N N 4.073 -0.746 3.982 1.00 . A A . 16 PRO N 1 1 5 2089 1 1 16 PRO O O 2.157 1.118 4.388 1.00 . A A . 16 PRO O 1 1 5 2090 1 1 17 CYS C C -0.657 0.983 5.319 1.00 . A A . 17 CYS C 1 1 5 2091 1 1 17 CYS CA C -0.478 1.064 3.801 1.00 . A A . 17 CYS CA 1 1 5 2092 1 1 17 CYS CB C -1.779 0.707 3.073 1.00 . A A . 17 CYS CB 1 1 5 2093 1 1 17 CYS H H 0.228 -0.750 2.869 1.00 . A A . 17 CYS H 1 1 5 2094 1 1 17 CYS HA H -0.149 2.048 3.514 1.00 . A A . 17 CYS HA 1 1 5 2095 1 1 17 CYS HB2 H -1.719 -0.303 2.697 1.00 . A A . 17 CYS HB2 1 1 5 2096 1 1 17 CYS HB3 H -2.609 0.789 3.759 1.00 . A A . 17 CYS HB3 1 1 5 2097 1 1 17 CYS N N 0.519 0.035 3.380 1.00 . A A . 17 CYS N 1 1 5 2098 1 1 17 CYS O O -0.223 0.033 5.946 1.00 . A A . 17 CYS O 1 1 5 2099 1 1 17 CYS SG S -2.024 1.851 1.691 1.00 . A A . 17 CYS SG 1 1 5 2100 1 1 18 CYS C C -2.207 0.668 7.850 1.00 . A A . 18 CYS C 1 1 5 2101 1 1 18 CYS CA C -1.441 1.927 7.415 1.00 . A A . 18 CYS CA 1 1 5 2102 1 1 18 CYS CB C -2.204 3.199 7.783 1.00 . A A . 18 CYS CB 1 1 5 2103 1 1 18 CYS H H -1.601 2.738 5.404 1.00 . A A . 18 CYS H 1 1 5 2104 1 1 18 CYS HA H -0.474 1.941 7.893 1.00 . A A . 18 CYS HA 1 1 5 2105 1 1 18 CYS HB2 H -2.363 3.797 6.899 1.00 . A A . 18 CYS HB2 1 1 5 2106 1 1 18 CYS HB3 H -3.156 2.938 8.220 1.00 . A A . 18 CYS HB3 1 1 5 2107 1 1 18 CYS N N -1.269 1.970 5.924 1.00 . A A . 18 CYS N 1 1 5 2108 1 1 18 CYS O O -2.840 0.007 7.051 1.00 . A A . 18 CYS O 1 1 5 2109 1 1 18 CYS SG S -1.224 4.135 8.982 1.00 . A A . 18 CYS SG 1 1 5 2110 1 1 19 GLU C C -4.290 -0.980 9.216 1.00 . A A . 19 GLU C 1 1 5 2111 1 1 19 GLU CA C -2.813 -0.903 9.639 1.00 . A A . 19 GLU CA 1 1 5 2112 1 1 19 GLU CB C -2.689 -0.821 11.165 1.00 . A A . 19 GLU CB 1 1 5 2113 1 1 19 GLU CD C -0.574 -2.117 11.521 1.00 . A A . 19 GLU CD 1 1 5 2114 1 1 19 GLU CG C -2.095 -2.127 11.705 1.00 . A A . 19 GLU CG 1 1 5 2115 1 1 19 GLU H H -1.587 0.875 9.727 1.00 . A A . 19 GLU H 1 1 5 2116 1 1 19 GLU HA H -2.300 -1.777 9.284 1.00 . A A . 19 GLU HA 1 1 5 2117 1 1 19 GLU HB2 H -2.045 0.004 11.431 1.00 . A A . 19 GLU HB2 1 1 5 2118 1 1 19 GLU HB3 H -3.666 -0.669 11.598 1.00 . A A . 19 GLU HB3 1 1 5 2119 1 1 19 GLU HG2 H -2.331 -2.221 12.755 1.00 . A A . 19 GLU HG2 1 1 5 2120 1 1 19 GLU HG3 H -2.515 -2.963 11.167 1.00 . A A . 19 GLU HG3 1 1 5 2121 1 1 19 GLU N N -2.124 0.327 9.116 1.00 . A A . 19 GLU N 1 1 5 2122 1 1 19 GLU O O -4.725 -2.016 8.751 1.00 . A A . 19 GLU O 1 1 5 2123 1 1 19 GLU OE1 O -0.125 -2.445 10.434 1.00 . A A . 19 GLU OE1 1 1 5 2124 1 1 19 GLU OE2 O 0.116 -1.783 12.471 1.00 . A A . 19 GLU OE2 1 1 5 2125 1 1 20 PRO C C -6.638 0.014 7.465 1.00 . A A . 20 PRO C 1 1 5 2126 1 1 20 PRO CA C -6.460 0.100 8.994 1.00 . A A . 20 PRO CA 1 1 5 2127 1 1 20 PRO CB C -6.978 1.432 9.533 1.00 . A A . 20 PRO CB 1 1 5 2128 1 1 20 PRO CD C -4.607 1.400 9.935 1.00 . A A . 20 PRO CD 1 1 5 2129 1 1 20 PRO CG C -5.769 2.306 9.624 1.00 . A A . 20 PRO CG 1 1 5 2130 1 1 20 PRO HA H -6.978 -0.713 9.477 1.00 . A A . 20 PRO HA 1 1 5 2131 1 1 20 PRO HB2 H -7.701 1.858 8.851 1.00 . A A . 20 PRO HB2 1 1 5 2132 1 1 20 PRO HB3 H -7.413 1.300 10.511 1.00 . A A . 20 PRO HB3 1 1 5 2133 1 1 20 PRO HD2 H -3.713 1.759 9.448 1.00 . A A . 20 PRO HD2 1 1 5 2134 1 1 20 PRO HD3 H -4.459 1.323 11.000 1.00 . A A . 20 PRO HD3 1 1 5 2135 1 1 20 PRO HG2 H -5.608 2.811 8.683 1.00 . A A . 20 PRO HG2 1 1 5 2136 1 1 20 PRO HG3 H -5.891 3.026 10.418 1.00 . A A . 20 PRO HG3 1 1 5 2137 1 1 20 PRO N N -5.023 0.101 9.383 1.00 . A A . 20 PRO N 1 1 5 2138 1 1 20 PRO O O -7.751 0.001 6.974 1.00 . A A . 20 PRO O 1 1 5 2139 1 1 21 TYR C C -4.816 -1.275 4.674 1.00 . A A . 21 TYR C 1 1 5 2140 1 1 21 TYR CA C -5.692 -0.139 5.218 1.00 . A A . 21 TYR CA 1 1 5 2141 1 1 21 TYR CB C -5.204 1.215 4.684 1.00 . A A . 21 TYR CB 1 1 5 2142 1 1 21 TYR CD1 C -7.360 2.366 5.323 1.00 . A A . 21 TYR CD1 1 1 5 2143 1 1 21 TYR CD2 C -5.257 3.346 6.030 1.00 . A A . 21 TYR CD2 1 1 5 2144 1 1 21 TYR CE1 C -8.056 3.403 5.953 1.00 . A A . 21 TYR CE1 1 1 5 2145 1 1 21 TYR CE2 C -5.952 4.383 6.661 1.00 . A A . 21 TYR CE2 1 1 5 2146 1 1 21 TYR CG C -5.959 2.337 5.361 1.00 . A A . 21 TYR CG 1 1 5 2147 1 1 21 TYR CZ C -7.352 4.413 6.624 1.00 . A A . 21 TYR CZ 1 1 5 2148 1 1 21 TYR H H -4.669 -0.047 7.119 1.00 . A A . 21 TYR H 1 1 5 2149 1 1 21 TYR HA H -6.721 -0.294 4.939 1.00 . A A . 21 TYR HA 1 1 5 2150 1 1 21 TYR HB2 H -4.148 1.322 4.885 1.00 . A A . 21 TYR HB2 1 1 5 2151 1 1 21 TYR HB3 H -5.373 1.261 3.618 1.00 . A A . 21 TYR HB3 1 1 5 2152 1 1 21 TYR HD1 H -7.904 1.589 4.805 1.00 . A A . 21 TYR HD1 1 1 5 2153 1 1 21 TYR HD2 H -4.177 3.324 6.059 1.00 . A A . 21 TYR HD2 1 1 5 2154 1 1 21 TYR HE1 H -9.135 3.426 5.923 1.00 . A A . 21 TYR HE1 1 1 5 2155 1 1 21 TYR HE2 H -5.409 5.161 7.176 1.00 . A A . 21 TYR HE2 1 1 5 2156 1 1 21 TYR HH H -8.803 5.060 7.686 1.00 . A A . 21 TYR HH 1 1 5 2157 1 1 21 TYR N N -5.561 -0.051 6.709 1.00 . A A . 21 TYR N 1 1 5 2158 1 1 21 TYR O O -3.920 -1.755 5.344 1.00 . A A . 21 TYR O 1 1 5 2159 1 1 21 TYR OH O -8.038 5.439 7.245 1.00 . A A . 21 TYR OH 1 1 5 2160 1 1 22 THR C C -3.942 -2.526 1.399 1.00 . A A . 22 THR C 1 1 5 2161 1 1 22 THR CA C -4.256 -2.816 2.872 1.00 . A A . 22 THR CA 1 1 5 2162 1 1 22 THR CB C -5.119 -4.079 2.992 1.00 . A A . 22 THR CB 1 1 5 2163 1 1 22 THR CG2 C -5.211 -4.507 4.461 1.00 . A A . 22 THR CG2 1 1 5 2164 1 1 22 THR H H -5.798 -1.306 2.944 1.00 . A A . 22 THR H 1 1 5 2165 1 1 22 THR HA H -3.340 -2.945 3.428 1.00 . A A . 22 THR HA 1 1 5 2166 1 1 22 THR HB H -4.664 -4.874 2.423 1.00 . A A . 22 THR HB 1 1 5 2167 1 1 22 THR HG1 H -6.925 -3.345 3.144 1.00 . A A . 22 THR HG1 1 1 5 2168 1 1 22 THR HG21 H -5.519 -5.541 4.515 1.00 . A A . 22 THR HG21 1 1 5 2169 1 1 22 THR HG22 H -4.243 -4.395 4.930 1.00 . A A . 22 THR HG22 1 1 5 2170 1 1 22 THR HG23 H -5.934 -3.890 4.974 1.00 . A A . 22 THR HG23 1 1 5 2171 1 1 22 THR N N -5.071 -1.709 3.464 1.00 . A A . 22 THR N 1 1 5 2172 1 1 22 THR O O -4.665 -1.811 0.730 1.00 . A A . 22 THR O 1 1 5 2173 1 1 22 THR OG1 O -6.425 -3.824 2.478 1.00 . A A . 22 THR OG1 1 1 5 2174 1 1 23 CYS C C -2.911 -4.052 -1.398 1.00 . A A . 23 CYS C 1 1 5 2175 1 1 23 CYS CA C -2.497 -2.850 -0.537 1.00 . A A . 23 CYS CA 1 1 5 2176 1 1 23 CYS CB C -0.973 -2.701 -0.533 1.00 . A A . 23 CYS CB 1 1 5 2177 1 1 23 CYS H H -2.309 -3.659 1.455 1.00 . A A . 23 CYS H 1 1 5 2178 1 1 23 CYS HA H -2.956 -1.946 -0.905 1.00 . A A . 23 CYS HA 1 1 5 2179 1 1 23 CYS HB2 H -0.537 -3.486 0.066 1.00 . A A . 23 CYS HB2 1 1 5 2180 1 1 23 CYS HB3 H -0.603 -2.773 -1.545 1.00 . A A . 23 CYS HB3 1 1 5 2181 1 1 23 CYS N N -2.870 -3.083 0.893 1.00 . A A . 23 CYS N 1 1 5 2182 1 1 23 CYS O O -3.037 -5.160 -0.913 1.00 . A A . 23 CYS O 1 1 5 2183 1 1 23 CYS SG S -0.520 -1.092 0.163 1.00 . A A . 23 CYS SG 1 1 5 2184 1 1 24 THR C C -2.266 -5.720 -4.060 1.00 . A A . 24 THR C 1 1 5 2185 1 1 24 THR CA C -3.511 -4.968 -3.575 1.00 . A A . 24 THR CA 1 1 5 2186 1 1 24 THR CB C -4.251 -4.331 -4.762 1.00 . A A . 24 THR CB 1 1 5 2187 1 1 24 THR CG2 C -5.500 -3.596 -4.265 1.00 . A A . 24 THR CG2 1 1 5 2188 1 1 24 THR H H -3.001 -2.936 -3.043 1.00 . A A . 24 THR H 1 1 5 2189 1 1 24 THR HA H -4.170 -5.643 -3.054 1.00 . A A . 24 THR HA 1 1 5 2190 1 1 24 THR HB H -4.551 -5.107 -5.450 1.00 . A A . 24 THR HB 1 1 5 2191 1 1 24 THR HG1 H -3.414 -2.581 -4.975 1.00 . A A . 24 THR HG1 1 1 5 2192 1 1 24 THR HG21 H -6.269 -3.637 -5.024 1.00 . A A . 24 THR HG21 1 1 5 2193 1 1 24 THR HG22 H -5.861 -4.067 -3.362 1.00 . A A . 24 THR HG22 1 1 5 2194 1 1 24 THR HG23 H -5.254 -2.564 -4.060 1.00 . A A . 24 THR HG23 1 1 5 2195 1 1 24 THR N N -3.114 -3.837 -2.676 1.00 . A A . 24 THR N 1 1 5 2196 1 1 24 THR O O -2.275 -6.930 -4.192 1.00 . A A . 24 THR O 1 1 5 2197 1 1 24 THR OG1 O -3.388 -3.420 -5.438 1.00 . A A . 24 THR OG1 1 1 5 2198 1 1 25 SER C C 1.261 -5.218 -3.976 1.00 . A A . 25 SER C 1 1 5 2199 1 1 25 SER CA C 0.055 -5.674 -4.807 1.00 . A A . 25 SER CA 1 1 5 2200 1 1 25 SER CB C 0.206 -5.224 -6.259 1.00 . A A . 25 SER CB 1 1 5 2201 1 1 25 SER H H -1.218 -4.038 -4.212 1.00 . A A . 25 SER H 1 1 5 2202 1 1 25 SER HA H -0.047 -6.747 -4.763 1.00 . A A . 25 SER HA 1 1 5 2203 1 1 25 SER HB2 H -0.251 -4.258 -6.388 1.00 . A A . 25 SER HB2 1 1 5 2204 1 1 25 SER HB3 H 1.258 -5.157 -6.506 1.00 . A A . 25 SER HB3 1 1 5 2205 1 1 25 SER HG H -1.364 -5.930 -7.167 1.00 . A A . 25 SER HG 1 1 5 2206 1 1 25 SER N N -1.197 -5.010 -4.327 1.00 . A A . 25 SER N 1 1 5 2207 1 1 25 SER O O 1.184 -4.270 -3.216 1.00 . A A . 25 SER O 1 1 5 2208 1 1 25 SER OG O -0.435 -6.164 -7.112 1.00 . A A . 25 SER OG 1 1 5 2209 1 1 26 ASP C C 4.401 -4.429 -4.108 1.00 . A A . 26 ASP C 1 1 5 2210 1 1 26 ASP CA C 3.604 -5.501 -3.353 1.00 . A A . 26 ASP CA 1 1 5 2211 1 1 26 ASP CB C 4.424 -6.789 -3.228 1.00 . A A . 26 ASP CB 1 1 5 2212 1 1 26 ASP CG C 4.230 -7.388 -1.833 1.00 . A A . 26 ASP CG 1 1 5 2213 1 1 26 ASP H H 2.415 -6.644 -4.748 1.00 . A A . 26 ASP H 1 1 5 2214 1 1 26 ASP HA H 3.331 -5.144 -2.373 1.00 . A A . 26 ASP HA 1 1 5 2215 1 1 26 ASP HB2 H 4.097 -7.499 -3.975 1.00 . A A . 26 ASP HB2 1 1 5 2216 1 1 26 ASP HB3 H 5.469 -6.565 -3.379 1.00 . A A . 26 ASP HB3 1 1 5 2217 1 1 26 ASP N N 2.380 -5.887 -4.125 1.00 . A A . 26 ASP N 1 1 5 2218 1 1 26 ASP O O 4.976 -3.540 -3.508 1.00 . A A . 26 ASP O 1 1 5 2219 1 1 26 ASP OD1 O 4.693 -6.783 -0.879 1.00 . A A . 26 ASP OD1 1 1 5 2220 1 1 26 ASP OD2 O 3.623 -8.442 -1.742 1.00 . A A . 26 ASP OD2 1 1 5 2221 1 1 27 TYR C C 4.372 -2.201 -6.332 1.00 . A A . 27 TYR C 1 1 5 2222 1 1 27 TYR CA C 5.199 -3.486 -6.207 1.00 . A A . 27 TYR CA 1 1 5 2223 1 1 27 TYR CB C 5.421 -4.118 -7.588 1.00 . A A . 27 TYR CB 1 1 5 2224 1 1 27 TYR CD1 C 7.942 -4.003 -7.543 1.00 . A A . 27 TYR CD1 1 1 5 2225 1 1 27 TYR CD2 C 6.879 -6.169 -7.785 1.00 . A A . 27 TYR CD2 1 1 5 2226 1 1 27 TYR CE1 C 9.200 -4.615 -7.593 1.00 . A A . 27 TYR CE1 1 1 5 2227 1 1 27 TYR CE2 C 8.138 -6.781 -7.835 1.00 . A A . 27 TYR CE2 1 1 5 2228 1 1 27 TYR CG C 6.780 -4.780 -7.638 1.00 . A A . 27 TYR CG 1 1 5 2229 1 1 27 TYR CZ C 9.298 -6.003 -7.740 1.00 . A A . 27 TYR CZ 1 1 5 2230 1 1 27 TYR H H 3.967 -5.228 -5.882 1.00 . A A . 27 TYR H 1 1 5 2231 1 1 27 TYR HA H 6.145 -3.277 -5.740 1.00 . A A . 27 TYR HA 1 1 5 2232 1 1 27 TYR HB2 H 4.655 -4.856 -7.774 1.00 . A A . 27 TYR HB2 1 1 5 2233 1 1 27 TYR HB3 H 5.370 -3.350 -8.346 1.00 . A A . 27 TYR HB3 1 1 5 2234 1 1 27 TYR HD1 H 7.867 -2.932 -7.430 1.00 . A A . 27 TYR HD1 1 1 5 2235 1 1 27 TYR HD2 H 5.984 -6.769 -7.860 1.00 . A A . 27 TYR HD2 1 1 5 2236 1 1 27 TYR HE1 H 10.095 -4.014 -7.520 1.00 . A A . 27 TYR HE1 1 1 5 2237 1 1 27 TYR HE2 H 8.212 -7.852 -7.948 1.00 . A A . 27 TYR HE2 1 1 5 2238 1 1 27 TYR HH H 10.786 -6.852 -6.896 1.00 . A A . 27 TYR HH 1 1 5 2239 1 1 27 TYR N N 4.439 -4.504 -5.419 1.00 . A A . 27 TYR N 1 1 5 2240 1 1 27 TYR O O 4.783 -1.145 -5.887 1.00 . A A . 27 TYR O 1 1 5 2241 1 1 27 TYR OH O 10.539 -6.606 -7.791 1.00 . A A . 27 TYR OH 1 1 5 2242 1 1 28 TYR C C 0.873 -1.456 -6.817 1.00 . A A . 28 TYR C 1 1 5 2243 1 1 28 TYR CA C 2.339 -1.084 -7.077 1.00 . A A . 28 TYR CA 1 1 5 2244 1 1 28 TYR CB C 2.534 -0.627 -8.528 1.00 . A A . 28 TYR CB 1 1 5 2245 1 1 28 TYR CD1 C 1.609 1.662 -7.988 1.00 . A A . 28 TYR CD1 1 1 5 2246 1 1 28 TYR CD2 C 0.766 0.496 -9.942 1.00 . A A . 28 TYR CD2 1 1 5 2247 1 1 28 TYR CE1 C 0.757 2.738 -8.264 1.00 . A A . 28 TYR CE1 1 1 5 2248 1 1 28 TYR CE2 C -0.085 1.573 -10.217 1.00 . A A . 28 TYR CE2 1 1 5 2249 1 1 28 TYR CG C 1.614 0.539 -8.827 1.00 . A A . 28 TYR CG 1 1 5 2250 1 1 28 TYR CZ C -0.090 2.695 -9.377 1.00 . A A . 28 TYR CZ 1 1 5 2251 1 1 28 TYR H H 2.907 -3.158 -7.266 1.00 . A A . 28 TYR H 1 1 5 2252 1 1 28 TYR HA H 2.654 -0.306 -6.400 1.00 . A A . 28 TYR HA 1 1 5 2253 1 1 28 TYR HB2 H 3.560 -0.319 -8.672 1.00 . A A . 28 TYR HB2 1 1 5 2254 1 1 28 TYR HB3 H 2.307 -1.443 -9.197 1.00 . A A . 28 TYR HB3 1 1 5 2255 1 1 28 TYR HD1 H 2.263 1.697 -7.129 1.00 . A A . 28 TYR HD1 1 1 5 2256 1 1 28 TYR HD2 H 0.769 -0.368 -10.589 1.00 . A A . 28 TYR HD2 1 1 5 2257 1 1 28 TYR HE1 H 0.753 3.603 -7.616 1.00 . A A . 28 TYR HE1 1 1 5 2258 1 1 28 TYR HE2 H -0.738 1.540 -11.075 1.00 . A A . 28 TYR HE2 1 1 5 2259 1 1 28 TYR HH H -0.601 4.201 -10.435 1.00 . A A . 28 TYR HH 1 1 5 2260 1 1 28 TYR N N 3.210 -2.291 -6.925 1.00 . A A . 28 TYR N 1 1 5 2261 1 1 28 TYR O O 0.323 -2.333 -7.455 1.00 . A A . 28 TYR O 1 1 5 2262 1 1 28 TYR OH O -0.930 3.756 -9.647 1.00 . A A . 28 TYR OH 1 1 5 2263 1 1 29 GLY C C -1.804 0.056 -4.772 1.00 . A A . 29 GLY C 1 1 5 2264 1 1 29 GLY CA C -1.190 -1.095 -5.575 1.00 . A A . 29 GLY CA 1 1 5 2265 1 1 29 GLY H H 0.707 -0.085 -5.385 1.00 . A A . 29 GLY H 1 1 5 2266 1 1 29 GLY HA2 H -1.736 -1.225 -6.499 1.00 . A A . 29 GLY HA2 1 1 5 2267 1 1 29 GLY HA3 H -1.245 -2.002 -4.994 1.00 . A A . 29 GLY HA3 1 1 5 2268 1 1 29 GLY N N 0.241 -0.789 -5.883 1.00 . A A . 29 GLY N 1 1 5 2269 1 1 29 GLY O O -1.103 0.869 -4.199 1.00 . A A . 29 GLY O 1 1 5 2270 1 1 30 ASN C C -4.537 0.649 -2.754 1.00 . A A . 30 ASN C 1 1 5 2271 1 1 30 ASN CA C -3.780 1.228 -3.957 1.00 . A A . 30 ASN CA 1 1 5 2272 1 1 30 ASN CB C -4.756 1.874 -4.945 1.00 . A A . 30 ASN CB 1 1 5 2273 1 1 30 ASN CG C -3.981 2.659 -6.010 1.00 . A A . 30 ASN CG 1 1 5 2274 1 1 30 ASN H H -3.656 -0.537 -5.194 1.00 . A A . 30 ASN H 1 1 5 2275 1 1 30 ASN HA H -3.052 1.954 -3.630 1.00 . A A . 30 ASN HA 1 1 5 2276 1 1 30 ASN HB2 H -5.344 1.105 -5.423 1.00 . A A . 30 ASN HB2 1 1 5 2277 1 1 30 ASN HB3 H -5.411 2.548 -4.413 1.00 . A A . 30 ASN HB3 1 1 5 2278 1 1 30 ASN HD21 H -4.909 1.786 -7.534 1.00 . A A . 30 ASN HD21 1 1 5 2279 1 1 30 ASN HD22 H -3.740 2.942 -7.960 1.00 . A A . 30 ASN HD22 1 1 5 2280 1 1 30 ASN N N -3.112 0.130 -4.725 1.00 . A A . 30 ASN N 1 1 5 2281 1 1 30 ASN ND2 N -4.231 2.445 -7.273 1.00 . A A . 30 ASN ND2 1 1 5 2282 1 1 30 ASN O O -4.774 -0.543 -2.675 1.00 . A A . 30 ASN O 1 1 5 2283 1 1 30 ASN OD1 O -3.141 3.478 -5.688 1.00 . A A . 30 ASN OD1 1 1 5 2284 1 1 31 CYS C C -7.036 1.668 -0.521 1.00 . A A . 31 CYS C 1 1 5 2285 1 1 31 CYS CA C -5.663 0.991 -0.617 1.00 . A A . 31 CYS CA 1 1 5 2286 1 1 31 CYS CB C -4.795 1.388 0.583 1.00 . A A . 31 CYS CB 1 1 5 2287 1 1 31 CYS H H -4.716 2.441 -1.908 1.00 . A A . 31 CYS H 1 1 5 2288 1 1 31 CYS HA H -5.771 -0.083 -0.654 1.00 . A A . 31 CYS HA 1 1 5 2289 1 1 31 CYS HB2 H -4.784 2.464 0.677 1.00 . A A . 31 CYS HB2 1 1 5 2290 1 1 31 CYS HB3 H -5.206 0.953 1.481 1.00 . A A . 31 CYS HB3 1 1 5 2291 1 1 31 CYS N N -4.919 1.485 -1.820 1.00 . A A . 31 CYS N 1 1 5 2292 1 1 31 CYS O O -7.387 2.502 -1.334 1.00 . A A . 31 CYS O 1 1 5 2293 1 1 31 CYS SG S -3.102 0.792 0.349 1.00 . A A . 31 CYS SG 1 1 5 2294 1 1 32 SER C C -9.737 1.599 2.034 1.00 . A A . 32 SER C 1 1 5 2295 1 1 32 SER CA C -9.161 1.952 0.654 1.00 . A A . 32 SER CA 1 1 5 2296 1 1 32 SER CB C -10.044 1.384 -0.467 1.00 . A A . 32 SER CB 1 1 5 2297 1 1 32 SER H H -7.500 0.654 1.129 1.00 . A A . 32 SER H 1 1 5 2298 1 1 32 SER HA H -9.083 3.024 0.551 1.00 . A A . 32 SER HA 1 1 5 2299 1 1 32 SER HB2 H -11.079 1.589 -0.250 1.00 . A A . 32 SER HB2 1 1 5 2300 1 1 32 SER HB3 H -9.779 1.855 -1.406 1.00 . A A . 32 SER HB3 1 1 5 2301 1 1 32 SER HG H -10.149 -0.305 -1.433 1.00 . A A . 32 SER HG 1 1 5 2302 1 1 32 SER N N -7.811 1.323 0.482 1.00 . A A . 32 SER N 1 1 5 2303 1 1 32 SER O O -9.873 0.416 2.319 1.00 . A A . 32 SER O 1 1 5 2304 1 1 32 SER OXT O -10.026 2.520 2.784 1.00 . A A . 32 SER OXT 1 1 5 2305 1 1 32 SER OG O -9.858 -0.025 -0.561 1.00 . A A . 32 SER OG 1 1 6 2306 1 1 1 CYS C C 1.920 4.854 5.918 1.00 . A A . 1 CYS C 1 1 6 2307 1 1 1 CYS CA C 2.304 4.040 7.162 1.00 . A A . 1 CYS CA 1 1 6 2308 1 1 1 CYS CB C 1.050 3.525 7.874 1.00 . A A . 1 CYS CB 1 1 6 2309 1 1 1 CYS H1 H 2.808 5.896 7.956 1.00 . A A . 1 CYS H1 1 1 6 2310 1 1 1 CYS H2 H 2.662 4.680 9.109 1.00 . A A . 1 CYS H2 1 1 6 2311 1 1 1 CYS H3 H 2.805 6.022 4.808 1.00 . A A . 1 CYS H3 1 1 6 2312 1 1 1 CYS HA H 2.931 3.210 6.884 1.00 . A A . 1 CYS HA 1 1 6 2313 1 1 1 CYS HB2 H 0.554 2.806 7.239 1.00 . A A . 1 CYS HB2 1 1 6 2314 1 1 1 CYS HB3 H 1.335 3.047 8.801 1.00 . A A . 1 CYS HB3 1 1 6 2315 1 1 1 CYS N N 3.002 4.905 8.163 1.00 . A A . 1 CYS N 1 1 6 2316 1 1 1 CYS O O 2.359 5.975 5.735 1.00 . A A . 1 CYS O 1 1 6 2317 1 1 1 CYS SG S -0.069 4.912 8.218 1.00 . A A . 1 CYS SG 1 1 6 2318 1 1 2 ILE C C -0.786 5.452 3.948 1.00 . A A . 2 ILE C 1 1 6 2319 1 1 2 ILE CA C 0.681 5.013 3.825 1.00 . A A . 2 ILE CA 1 1 6 2320 1 1 2 ILE CB C 0.868 3.984 2.694 1.00 . A A . 2 ILE CB 1 1 6 2321 1 1 2 ILE CD1 C 3.356 4.020 2.999 1.00 . A A . 2 ILE CD1 1 1 6 2322 1 1 2 ILE CG1 C 2.215 4.223 2.001 1.00 . A A . 2 ILE CG1 1 1 6 2323 1 1 2 ILE CG2 C -0.254 4.110 1.657 1.00 . A A . 2 ILE CG2 1 1 6 2324 1 1 2 ILE H H 0.767 3.385 5.235 1.00 . A A . 2 ILE H 1 1 6 2325 1 1 2 ILE HA H 1.317 5.868 3.654 1.00 . A A . 2 ILE HA 1 1 6 2326 1 1 2 ILE HB H 0.851 2.989 3.114 1.00 . A A . 2 ILE HB 1 1 6 2327 1 1 2 ILE HD11 H 3.597 4.963 3.466 1.00 . A A . 2 ILE HD11 1 1 6 2328 1 1 2 ILE HD12 H 3.051 3.312 3.755 1.00 . A A . 2 ILE HD12 1 1 6 2329 1 1 2 ILE HD13 H 4.224 3.643 2.481 1.00 . A A . 2 ILE HD13 1 1 6 2330 1 1 2 ILE HG12 H 2.325 3.525 1.183 1.00 . A A . 2 ILE HG12 1 1 6 2331 1 1 2 ILE HG13 H 2.248 5.231 1.619 1.00 . A A . 2 ILE HG13 1 1 6 2332 1 1 2 ILE HG21 H -0.313 5.131 1.310 1.00 . A A . 2 ILE HG21 1 1 6 2333 1 1 2 ILE HG22 H -0.046 3.459 0.821 1.00 . A A . 2 ILE HG22 1 1 6 2334 1 1 2 ILE HG23 H -1.194 3.828 2.107 1.00 . A A . 2 ILE HG23 1 1 6 2335 1 1 2 ILE N N 1.104 4.290 5.063 1.00 . A A . 2 ILE N 1 1 6 2336 1 1 2 ILE O O -1.579 4.787 4.589 1.00 . A A . 2 ILE O 1 1 6 2337 1 1 3 PRO C C -3.412 6.169 2.523 1.00 . A A . 3 PRO C 1 1 6 2338 1 1 3 PRO CA C -2.491 7.082 3.338 1.00 . A A . 3 PRO CA 1 1 6 2339 1 1 3 PRO CB C -2.367 8.459 2.687 1.00 . A A . 3 PRO CB 1 1 6 2340 1 1 3 PRO CD C -0.206 7.413 2.519 1.00 . A A . 3 PRO CD 1 1 6 2341 1 1 3 PRO CG C -1.143 8.372 1.833 1.00 . A A . 3 PRO CG 1 1 6 2342 1 1 3 PRO HA H -2.845 7.180 4.351 1.00 . A A . 3 PRO HA 1 1 6 2343 1 1 3 PRO HB2 H -3.238 8.666 2.079 1.00 . A A . 3 PRO HB2 1 1 6 2344 1 1 3 PRO HB3 H -2.239 9.222 3.439 1.00 . A A . 3 PRO HB3 1 1 6 2345 1 1 3 PRO HD2 H 0.337 6.829 1.788 1.00 . A A . 3 PRO HD2 1 1 6 2346 1 1 3 PRO HD3 H 0.474 7.943 3.167 1.00 . A A . 3 PRO HD3 1 1 6 2347 1 1 3 PRO HG2 H -1.403 8.001 0.851 1.00 . A A . 3 PRO HG2 1 1 6 2348 1 1 3 PRO HG3 H -0.676 9.341 1.753 1.00 . A A . 3 PRO HG3 1 1 6 2349 1 1 3 PRO N N -1.100 6.557 3.313 1.00 . A A . 3 PRO N 1 1 6 2350 1 1 3 PRO O O -3.026 5.646 1.495 1.00 . A A . 3 PRO O 1 1 6 2351 1 1 4 LYS C C -5.859 5.647 0.836 1.00 . A A . 4 LYS C 1 1 6 2352 1 1 4 LYS CA C -5.563 5.077 2.233 1.00 . A A . 4 LYS CA 1 1 6 2353 1 1 4 LYS CB C -6.837 5.008 3.090 1.00 . A A . 4 LYS CB 1 1 6 2354 1 1 4 LYS CD C -7.558 7.179 4.118 1.00 . A A . 4 LYS CD 1 1 6 2355 1 1 4 LYS CE C -7.536 8.644 3.665 1.00 . A A . 4 LYS CE 1 1 6 2356 1 1 4 LYS CG C -7.697 6.265 2.897 1.00 . A A . 4 LYS CG 1 1 6 2357 1 1 4 LYS H H -4.906 6.387 3.814 1.00 . A A . 4 LYS H 1 1 6 2358 1 1 4 LYS HA H -5.137 4.092 2.144 1.00 . A A . 4 LYS HA 1 1 6 2359 1 1 4 LYS HB2 H -7.410 4.139 2.803 1.00 . A A . 4 LYS HB2 1 1 6 2360 1 1 4 LYS HB3 H -6.560 4.923 4.131 1.00 . A A . 4 LYS HB3 1 1 6 2361 1 1 4 LYS HD2 H -8.396 7.021 4.782 1.00 . A A . 4 LYS HD2 1 1 6 2362 1 1 4 LYS HD3 H -6.640 6.951 4.639 1.00 . A A . 4 LYS HD3 1 1 6 2363 1 1 4 LYS HE2 H -7.723 8.709 2.601 1.00 . A A . 4 LYS HE2 1 1 6 2364 1 1 4 LYS HE3 H -8.267 9.218 4.212 1.00 . A A . 4 LYS HE3 1 1 6 2365 1 1 4 LYS HG2 H -7.376 6.793 2.014 1.00 . A A . 4 LYS HG2 1 1 6 2366 1 1 4 LYS HG3 H -8.731 5.976 2.785 1.00 . A A . 4 LYS HG3 1 1 6 2367 1 1 4 LYS HZ1 H -5.825 8.675 4.841 1.00 . A A . 4 LYS HZ1 1 1 6 2368 1 1 4 LYS HZ3 H -6.184 10.152 4.121 1.00 . A A . 4 LYS HZ3 1 1 6 2369 1 1 4 LYS N N -4.622 5.965 2.979 1.00 . A A . 4 LYS N 1 1 6 2370 1 1 4 LYS NZ N -6.163 9.132 3.982 1.00 . A A . 4 LYS NZ 1 1 6 2371 1 1 4 LYS O O -5.655 6.818 0.573 1.00 . A A . 4 LYS O 1 1 6 2372 1 1 5 TRP C C -5.466 5.946 -2.115 1.00 . A A . 5 TRP C 1 1 6 2373 1 1 5 TRP CA C -6.666 5.254 -1.447 1.00 . A A . 5 TRP CA 1 1 6 2374 1 1 5 TRP CB C -7.851 6.205 -1.293 1.00 . A A . 5 TRP CB 1 1 6 2375 1 1 5 TRP CD1 C -9.432 4.792 0.073 1.00 . A A . 5 TRP CD1 1 1 6 2376 1 1 5 TRP CD2 C -10.121 5.050 -2.047 1.00 . A A . 5 TRP CD2 1 1 6 2377 1 1 5 TRP CE2 C -11.092 4.250 -1.401 1.00 . A A . 5 TRP CE2 1 1 6 2378 1 1 5 TRP CE3 C -10.312 5.361 -3.402 1.00 . A A . 5 TRP CE3 1 1 6 2379 1 1 5 TRP CG C -9.085 5.389 -1.087 1.00 . A A . 5 TRP CG 1 1 6 2380 1 1 5 TRP CH2 C -12.392 4.096 -3.426 1.00 . A A . 5 TRP CH2 1 1 6 2381 1 1 5 TRP CZ2 C -12.216 3.777 -2.077 1.00 . A A . 5 TRP CZ2 1 1 6 2382 1 1 5 TRP CZ3 C -11.441 4.886 -4.089 1.00 . A A . 5 TRP CZ3 1 1 6 2383 1 1 5 TRP H H -6.488 3.880 0.200 1.00 . A A . 5 TRP H 1 1 6 2384 1 1 5 TRP HA H -6.973 4.404 -2.035 1.00 . A A . 5 TRP HA 1 1 6 2385 1 1 5 TRP HB2 H -7.694 6.850 -0.440 1.00 . A A . 5 TRP HB2 1 1 6 2386 1 1 5 TRP HB3 H -7.958 6.802 -2.186 1.00 . A A . 5 TRP HB3 1 1 6 2387 1 1 5 TRP HD1 H -8.869 4.835 0.990 1.00 . A A . 5 TRP HD1 1 1 6 2388 1 1 5 TRP HE1 H -11.102 3.613 0.583 1.00 . A A . 5 TRP HE1 1 1 6 2389 1 1 5 TRP HE3 H -9.581 5.966 -3.918 1.00 . A A . 5 TRP HE3 1 1 6 2390 1 1 5 TRP HH2 H -13.257 3.732 -3.959 1.00 . A A . 5 TRP HH2 1 1 6 2391 1 1 5 TRP HZ2 H -12.946 3.170 -1.562 1.00 . A A . 5 TRP HZ2 1 1 6 2392 1 1 5 TRP HZ3 H -11.578 5.131 -5.131 1.00 . A A . 5 TRP HZ3 1 1 6 2393 1 1 5 TRP N N -6.337 4.812 -0.052 1.00 . A A . 5 TRP N 1 1 6 2394 1 1 5 TRP NE1 N -10.628 4.122 -0.108 1.00 . A A . 5 TRP NE1 1 1 6 2395 1 1 5 TRP O O -5.620 6.895 -2.861 1.00 . A A . 5 TRP O 1 1 6 2396 1 1 6 ASN C C -2.108 4.963 -2.967 1.00 . A A . 6 ASN C 1 1 6 2397 1 1 6 ASN CA C -3.057 6.069 -2.486 1.00 . A A . 6 ASN CA 1 1 6 2398 1 1 6 ASN CB C -2.401 6.893 -1.376 1.00 . A A . 6 ASN CB 1 1 6 2399 1 1 6 ASN CG C -2.826 8.358 -1.502 1.00 . A A . 6 ASN CG 1 1 6 2400 1 1 6 ASN H H -4.176 4.690 -1.265 1.00 . A A . 6 ASN H 1 1 6 2401 1 1 6 ASN HA H -3.335 6.710 -3.308 1.00 . A A . 6 ASN HA 1 1 6 2402 1 1 6 ASN HB2 H -2.708 6.511 -0.415 1.00 . A A . 6 ASN HB2 1 1 6 2403 1 1 6 ASN HB3 H -1.327 6.825 -1.462 1.00 . A A . 6 ASN HB3 1 1 6 2404 1 1 6 ASN HD21 H -4.391 8.158 -0.294 1.00 . A A . 6 ASN HD21 1 1 6 2405 1 1 6 ASN HD22 H -4.158 9.715 -0.928 1.00 . A A . 6 ASN HD22 1 1 6 2406 1 1 6 ASN N N -4.273 5.462 -1.861 1.00 . A A . 6 ASN N 1 1 6 2407 1 1 6 ASN ND2 N -3.880 8.779 -0.854 1.00 . A A . 6 ASN ND2 1 1 6 2408 1 1 6 ASN O O -2.187 3.832 -2.523 1.00 . A A . 6 ASN O 1 1 6 2409 1 1 6 ASN OD1 O -2.194 9.128 -2.197 1.00 . A A . 6 ASN OD1 1 1 6 2410 1 1 7 ARG C C 0.721 3.837 -3.276 1.00 . A A . 7 ARG C 1 1 6 2411 1 1 7 ARG CA C -0.258 4.249 -4.382 1.00 . A A . 7 ARG CA 1 1 6 2412 1 1 7 ARG CB C 0.490 4.923 -5.537 1.00 . A A . 7 ARG CB 1 1 6 2413 1 1 7 ARG CD C 0.869 4.322 -7.940 1.00 . A A . 7 ARG CD 1 1 6 2414 1 1 7 ARG CG C -0.193 4.579 -6.864 1.00 . A A . 7 ARG CG 1 1 6 2415 1 1 7 ARG CZ C 1.012 6.533 -8.933 1.00 . A A . 7 ARG CZ 1 1 6 2416 1 1 7 ARG H H -1.172 6.201 -4.211 1.00 . A A . 7 ARG H 1 1 6 2417 1 1 7 ARG HA H -0.797 3.389 -4.746 1.00 . A A . 7 ARG HA 1 1 6 2418 1 1 7 ARG HB2 H 0.483 5.994 -5.395 1.00 . A A . 7 ARG HB2 1 1 6 2419 1 1 7 ARG HB3 H 1.510 4.570 -5.557 1.00 . A A . 7 ARG HB3 1 1 6 2420 1 1 7 ARG HD2 H 1.578 3.582 -7.598 1.00 . A A . 7 ARG HD2 1 1 6 2421 1 1 7 ARG HD3 H 0.403 4.001 -8.859 1.00 . A A . 7 ARG HD3 1 1 6 2422 1 1 7 ARG HG2 H -0.798 3.692 -6.739 1.00 . A A . 7 ARG HG2 1 1 6 2423 1 1 7 ARG HG3 H -0.821 5.402 -7.170 1.00 . A A . 7 ARG HG3 1 1 6 2424 1 1 7 ARG HH11 H 1.817 5.765 -10.601 1.00 . A A . 7 ARG HH11 1 1 6 2425 1 1 7 ARG HH12 H 0.832 7.171 -10.826 1.00 . A A . 7 ARG HH12 1 1 6 2426 1 1 7 ARG HH21 H 0.085 7.511 -7.448 1.00 . A A . 7 ARG HH21 1 1 6 2427 1 1 7 ARG HH22 H -0.153 8.163 -9.035 1.00 . A A . 7 ARG HH22 1 1 6 2428 1 1 7 ARG N N -1.214 5.283 -3.870 1.00 . A A . 7 ARG N 1 1 6 2429 1 1 7 ARG NE N 1.544 5.637 -8.144 1.00 . A A . 7 ARG NE 1 1 6 2430 1 1 7 ARG NH1 N 1.238 6.486 -10.220 1.00 . A A . 7 ARG NH1 1 1 6 2431 1 1 7 ARG NH2 N 0.255 7.476 -8.433 1.00 . A A . 7 ARG NH2 1 1 6 2432 1 1 7 ARG O O 1.402 4.663 -2.699 1.00 . A A . 7 ARG O 1 1 6 2433 1 1 8 CYS C C 2.676 1.019 -2.480 1.00 . A A . 8 CYS C 1 1 6 2434 1 1 8 CYS CA C 1.726 2.082 -1.917 1.00 . A A . 8 CYS CA 1 1 6 2435 1 1 8 CYS CB C 0.826 1.485 -0.830 1.00 . A A . 8 CYS CB 1 1 6 2436 1 1 8 CYS H H 0.233 1.917 -3.464 1.00 . A A . 8 CYS H 1 1 6 2437 1 1 8 CYS HA H 2.290 2.908 -1.513 1.00 . A A . 8 CYS HA 1 1 6 2438 1 1 8 CYS HB2 H 1.404 1.334 0.070 1.00 . A A . 8 CYS HB2 1 1 6 2439 1 1 8 CYS HB3 H 0.014 2.165 -0.623 1.00 . A A . 8 CYS HB3 1 1 6 2440 1 1 8 CYS N N 0.793 2.562 -2.981 1.00 . A A . 8 CYS N 1 1 6 2441 1 1 8 CYS O O 2.386 0.373 -3.472 1.00 . A A . 8 CYS O 1 1 6 2442 1 1 8 CYS SG S 0.155 -0.104 -1.386 1.00 . A A . 8 CYS SG 1 1 6 2443 1 1 9 GLY C C 5.543 -0.779 -1.151 1.00 . A A . 9 GLY C 1 1 6 2444 1 1 9 GLY CA C 4.783 -0.185 -2.340 1.00 . A A . 9 GLY CA 1 1 6 2445 1 1 9 GLY H H 4.018 1.365 -1.055 1.00 . A A . 9 GLY H 1 1 6 2446 1 1 9 GLY HA2 H 4.253 -0.971 -2.860 1.00 . A A . 9 GLY HA2 1 1 6 2447 1 1 9 GLY HA3 H 5.484 0.283 -3.013 1.00 . A A . 9 GLY HA3 1 1 6 2448 1 1 9 GLY N N 3.808 0.832 -1.851 1.00 . A A . 9 GLY N 1 1 6 2449 1 1 9 GLY O O 6.594 -0.286 -0.788 1.00 . A A . 9 GLY O 1 1 6 2450 1 1 10 PRO C C 6.907 -3.227 0.135 1.00 . A A . 10 PRO C 1 1 6 2451 1 1 10 PRO CA C 5.635 -2.494 0.579 1.00 . A A . 10 PRO CA 1 1 6 2452 1 1 10 PRO CB C 4.569 -3.471 1.072 1.00 . A A . 10 PRO CB 1 1 6 2453 1 1 10 PRO CD C 3.725 -2.479 -0.957 1.00 . A A . 10 PRO CD 1 1 6 2454 1 1 10 PRO CG C 3.704 -3.732 -0.119 1.00 . A A . 10 PRO CG 1 1 6 2455 1 1 10 PRO HA H 5.864 -1.774 1.349 1.00 . A A . 10 PRO HA 1 1 6 2456 1 1 10 PRO HB2 H 5.031 -4.388 1.414 1.00 . A A . 10 PRO HB2 1 1 6 2457 1 1 10 PRO HB3 H 3.984 -3.025 1.862 1.00 . A A . 10 PRO HB3 1 1 6 2458 1 1 10 PRO HD2 H 3.720 -2.728 -2.009 1.00 . A A . 10 PRO HD2 1 1 6 2459 1 1 10 PRO HD3 H 2.889 -1.843 -0.711 1.00 . A A . 10 PRO HD3 1 1 6 2460 1 1 10 PRO HG2 H 4.099 -4.565 -0.685 1.00 . A A . 10 PRO HG2 1 1 6 2461 1 1 10 PRO HG3 H 2.694 -3.942 0.195 1.00 . A A . 10 PRO HG3 1 1 6 2462 1 1 10 PRO N N 4.988 -1.826 -0.582 1.00 . A A . 10 PRO N 1 1 6 2463 1 1 10 PRO O O 7.928 -3.155 0.790 1.00 . A A . 10 PRO O 1 1 6 2464 1 1 11 LYS C C 9.080 -3.616 -2.058 1.00 . A A . 11 LYS C 1 1 6 2465 1 1 11 LYS CA C 8.077 -4.626 -1.471 1.00 . A A . 11 LYS CA 1 1 6 2466 1 1 11 LYS CB C 7.575 -5.582 -2.558 1.00 . A A . 11 LYS CB 1 1 6 2467 1 1 11 LYS CD C 7.340 -8.071 -2.488 1.00 . A A . 11 LYS CD 1 1 6 2468 1 1 11 LYS CE C 8.095 -9.405 -2.473 1.00 . A A . 11 LYS CE 1 1 6 2469 1 1 11 LYS CG C 8.336 -6.910 -2.472 1.00 . A A . 11 LYS CG 1 1 6 2470 1 1 11 LYS H H 6.035 -3.949 -1.499 1.00 . A A . 11 LYS H 1 1 6 2471 1 1 11 LYS HA H 8.527 -5.183 -0.669 1.00 . A A . 11 LYS HA 1 1 6 2472 1 1 11 LYS HB2 H 6.518 -5.763 -2.418 1.00 . A A . 11 LYS HB2 1 1 6 2473 1 1 11 LYS HB3 H 7.737 -5.139 -3.529 1.00 . A A . 11 LYS HB3 1 1 6 2474 1 1 11 LYS HD2 H 6.704 -8.010 -1.617 1.00 . A A . 11 LYS HD2 1 1 6 2475 1 1 11 LYS HD3 H 6.735 -8.014 -3.380 1.00 . A A . 11 LYS HD3 1 1 6 2476 1 1 11 LYS HE2 H 9.059 -9.295 -2.953 1.00 . A A . 11 LYS HE2 1 1 6 2477 1 1 11 LYS HE3 H 8.217 -9.757 -1.461 1.00 . A A . 11 LYS HE3 1 1 6 2478 1 1 11 LYS HG2 H 9.005 -6.995 -3.317 1.00 . A A . 11 LYS HG2 1 1 6 2479 1 1 11 LYS HG3 H 8.908 -6.940 -1.556 1.00 . A A . 11 LYS HG3 1 1 6 2480 1 1 11 LYS HZ1 H 7.814 -10.884 -3.902 1.00 . A A . 11 LYS HZ1 1 1 6 2481 1 1 11 LYS HZ3 H 6.522 -9.817 -3.763 1.00 . A A . 11 LYS HZ3 1 1 6 2482 1 1 11 LYS N N 6.861 -3.914 -0.980 1.00 . A A . 11 LYS N 1 1 6 2483 1 1 11 LYS NZ N 7.234 -10.349 -3.241 1.00 . A A . 11 LYS NZ 1 1 6 2484 1 1 11 LYS O O 10.222 -3.947 -2.313 1.00 . A A . 11 LYS O 1 1 6 2485 1 1 12 MET C C 10.204 -0.505 -1.736 1.00 . A A . 12 MET C 1 1 6 2486 1 1 12 MET CA C 9.570 -1.357 -2.849 1.00 . A A . 12 MET CA 1 1 6 2487 1 1 12 MET CB C 8.670 -0.492 -3.738 1.00 . A A . 12 MET CB 1 1 6 2488 1 1 12 MET CE C 7.606 2.350 -4.907 1.00 . A A . 12 MET CE 1 1 6 2489 1 1 12 MET CG C 9.528 0.452 -4.585 1.00 . A A . 12 MET CG 1 1 6 2490 1 1 12 MET H H 7.730 -2.149 -2.068 1.00 . A A . 12 MET H 1 1 6 2491 1 1 12 MET HA H 10.336 -1.823 -3.448 1.00 . A A . 12 MET HA 1 1 6 2492 1 1 12 MET HB2 H 8.090 -1.131 -4.387 1.00 . A A . 12 MET HB2 1 1 6 2493 1 1 12 MET HB3 H 8.005 0.088 -3.117 1.00 . A A . 12 MET HB3 1 1 6 2494 1 1 12 MET HE1 H 6.554 2.295 -5.148 1.00 . A A . 12 MET HE1 1 1 6 2495 1 1 12 MET HE2 H 7.746 2.126 -3.862 1.00 . A A . 12 MET HE2 1 1 6 2496 1 1 12 MET HE3 H 7.976 3.346 -5.111 1.00 . A A . 12 MET HE3 1 1 6 2497 1 1 12 MET HG2 H 9.907 1.249 -3.963 1.00 . A A . 12 MET HG2 1 1 6 2498 1 1 12 MET HG3 H 10.354 -0.096 -5.012 1.00 . A A . 12 MET HG3 1 1 6 2499 1 1 12 MET N N 8.656 -2.390 -2.276 1.00 . A A . 12 MET N 1 1 6 2500 1 1 12 MET O O 11.360 -0.138 -1.821 1.00 . A A . 12 MET O 1 1 6 2501 1 1 12 MET SD S 8.516 1.152 -5.914 1.00 . A A . 12 MET SD 1 1 6 2502 1 1 13 ASP C C 9.978 -0.084 1.739 1.00 . A A . 13 ASP C 1 1 6 2503 1 1 13 ASP CA C 10.035 0.655 0.399 1.00 . A A . 13 ASP CA 1 1 6 2504 1 1 13 ASP CB C 9.155 1.906 0.446 1.00 . A A . 13 ASP CB 1 1 6 2505 1 1 13 ASP CG C 9.808 3.018 -0.375 1.00 . A A . 13 ASP CG 1 1 6 2506 1 1 13 ASP H H 8.523 -0.480 -0.648 1.00 . A A . 13 ASP H 1 1 6 2507 1 1 13 ASP HA H 11.051 0.933 0.168 1.00 . A A . 13 ASP HA 1 1 6 2508 1 1 13 ASP HB2 H 8.181 1.679 0.038 1.00 . A A . 13 ASP HB2 1 1 6 2509 1 1 13 ASP HB3 H 9.048 2.232 1.471 1.00 . A A . 13 ASP HB3 1 1 6 2510 1 1 13 ASP N N 9.460 -0.181 -0.701 1.00 . A A . 13 ASP N 1 1 6 2511 1 1 13 ASP O O 10.838 0.084 2.582 1.00 . A A . 13 ASP O 1 1 6 2512 1 1 13 ASP OD1 O 9.643 3.011 -1.583 1.00 . A A . 13 ASP OD1 1 1 6 2513 1 1 13 ASP OD2 O 10.464 3.858 0.218 1.00 . A A . 13 ASP OD2 1 1 6 2514 1 1 14 GLY C C 7.708 -1.019 4.074 1.00 . A A . 14 GLY C 1 1 6 2515 1 1 14 GLY CA C 8.841 -1.627 3.234 1.00 . A A . 14 GLY CA 1 1 6 2516 1 1 14 GLY H H 8.280 -1.000 1.255 1.00 . A A . 14 GLY H 1 1 6 2517 1 1 14 GLY HA2 H 8.622 -2.666 3.031 1.00 . A A . 14 GLY HA2 1 1 6 2518 1 1 14 GLY HA3 H 9.768 -1.556 3.782 1.00 . A A . 14 GLY HA3 1 1 6 2519 1 1 14 GLY N N 8.967 -0.889 1.945 1.00 . A A . 14 GLY N 1 1 6 2520 1 1 14 GLY O O 7.515 -1.391 5.216 1.00 . A A . 14 GLY O 1 1 6 2521 1 1 15 VAL C C 4.511 0.350 3.546 1.00 . A A . 15 VAL C 1 1 6 2522 1 1 15 VAL CA C 5.836 0.531 4.300 1.00 . A A . 15 VAL CA 1 1 6 2523 1 1 15 VAL CB C 6.192 2.020 4.430 1.00 . A A . 15 VAL CB 1 1 6 2524 1 1 15 VAL CG1 C 5.110 2.739 5.246 1.00 . A A . 15 VAL CG1 1 1 6 2525 1 1 15 VAL CG2 C 7.539 2.172 5.145 1.00 . A A . 15 VAL CG2 1 1 6 2526 1 1 15 VAL H H 7.122 0.197 2.596 1.00 . A A . 15 VAL H 1 1 6 2527 1 1 15 VAL HA H 5.772 0.085 5.280 1.00 . A A . 15 VAL HA 1 1 6 2528 1 1 15 VAL HB H 6.251 2.462 3.445 1.00 . A A . 15 VAL HB 1 1 6 2529 1 1 15 VAL HG11 H 4.136 2.380 4.949 1.00 . A A . 15 VAL HG11 1 1 6 2530 1 1 15 VAL HG12 H 5.261 2.541 6.297 1.00 . A A . 15 VAL HG12 1 1 6 2531 1 1 15 VAL HG13 H 5.171 3.802 5.068 1.00 . A A . 15 VAL HG13 1 1 6 2532 1 1 15 VAL HG21 H 7.429 1.891 6.181 1.00 . A A . 15 VAL HG21 1 1 6 2533 1 1 15 VAL HG22 H 8.271 1.532 4.674 1.00 . A A . 15 VAL HG22 1 1 6 2534 1 1 15 VAL HG23 H 7.864 3.200 5.082 1.00 . A A . 15 VAL HG23 1 1 6 2535 1 1 15 VAL N N 6.954 -0.090 3.522 1.00 . A A . 15 VAL N 1 1 6 2536 1 1 15 VAL O O 4.230 1.067 2.604 1.00 . A A . 15 VAL O 1 1 6 2537 1 1 16 PRO C C 1.404 0.176 3.751 1.00 . A A . 16 PRO C 1 1 6 2538 1 1 16 PRO CA C 2.422 -0.899 3.358 1.00 . A A . 16 PRO CA 1 1 6 2539 1 1 16 PRO CB C 2.021 -2.236 3.976 1.00 . A A . 16 PRO CB 1 1 6 2540 1 1 16 PRO CD C 4.017 -1.516 5.116 1.00 . A A . 16 PRO CD 1 1 6 2541 1 1 16 PRO CG C 2.729 -2.272 5.293 1.00 . A A . 16 PRO CG 1 1 6 2542 1 1 16 PRO HA H 2.511 -0.987 2.288 1.00 . A A . 16 PRO HA 1 1 6 2543 1 1 16 PRO HB2 H 0.949 -2.279 4.120 1.00 . A A . 16 PRO HB2 1 1 6 2544 1 1 16 PRO HB3 H 2.352 -3.053 3.356 1.00 . A A . 16 PRO HB3 1 1 6 2545 1 1 16 PRO HD2 H 4.253 -0.957 6.011 1.00 . A A . 16 PRO HD2 1 1 6 2546 1 1 16 PRO HD3 H 4.821 -2.189 4.862 1.00 . A A . 16 PRO HD3 1 1 6 2547 1 1 16 PRO HG2 H 2.120 -1.791 6.050 1.00 . A A . 16 PRO HG2 1 1 6 2548 1 1 16 PRO HG3 H 2.938 -3.288 5.578 1.00 . A A . 16 PRO HG3 1 1 6 2549 1 1 16 PRO N N 3.739 -0.611 3.992 1.00 . A A . 16 PRO N 1 1 6 2550 1 1 16 PRO O O 1.741 1.158 4.389 1.00 . A A . 16 PRO O 1 1 6 2551 1 1 17 CYS C C -1.041 0.919 5.335 1.00 . A A . 17 CYS C 1 1 6 2552 1 1 17 CYS CA C -0.884 0.979 3.813 1.00 . A A . 17 CYS CA 1 1 6 2553 1 1 17 CYS CB C -2.180 0.541 3.119 1.00 . A A . 17 CYS CB 1 1 6 2554 1 1 17 CYS H H -0.105 -0.829 2.926 1.00 . A A . 17 CYS H 1 1 6 2555 1 1 17 CYS HA H -0.603 1.971 3.496 1.00 . A A . 17 CYS HA 1 1 6 2556 1 1 17 CYS HB2 H -2.508 -0.400 3.536 1.00 . A A . 17 CYS HB2 1 1 6 2557 1 1 17 CYS HB3 H -2.942 1.290 3.280 1.00 . A A . 17 CYS HB3 1 1 6 2558 1 1 17 CYS N N 0.152 -0.018 3.412 1.00 . A A . 17 CYS N 1 1 6 2559 1 1 17 CYS O O -0.671 -0.061 5.958 1.00 . A A . 17 CYS O 1 1 6 2560 1 1 17 CYS SG S -1.896 0.342 1.341 1.00 . A A . 17 CYS SG 1 1 6 2561 1 1 18 CYS C C -2.458 0.665 7.899 1.00 . A A . 18 CYS C 1 1 6 2562 1 1 18 CYS CA C -1.725 1.936 7.439 1.00 . A A . 18 CYS CA 1 1 6 2563 1 1 18 CYS CB C -2.525 3.193 7.781 1.00 . A A . 18 CYS CB 1 1 6 2564 1 1 18 CYS H H -1.843 2.738 5.427 1.00 . A A . 18 CYS H 1 1 6 2565 1 1 18 CYS HA H -0.758 1.984 7.910 1.00 . A A . 18 CYS HA 1 1 6 2566 1 1 18 CYS HB2 H -2.589 3.828 6.911 1.00 . A A . 18 CYS HB2 1 1 6 2567 1 1 18 CYS HB3 H -3.516 2.917 8.103 1.00 . A A . 18 CYS HB3 1 1 6 2568 1 1 18 CYS N N -1.565 1.952 5.946 1.00 . A A . 18 CYS N 1 1 6 2569 1 1 18 CYS O O -3.049 -0.042 7.108 1.00 . A A . 18 CYS O 1 1 6 2570 1 1 18 CYS SG S -1.679 4.078 9.115 1.00 . A A . 18 CYS SG 1 1 6 2571 1 1 19 GLU C C -4.525 -0.982 9.315 1.00 . A A . 19 GLU C 1 1 6 2572 1 1 19 GLU CA C -3.051 -0.890 9.696 1.00 . A A . 19 GLU CA 1 1 6 2573 1 1 19 GLU CB C -2.865 -0.863 11.216 1.00 . A A . 19 GLU CB 1 1 6 2574 1 1 19 GLU CD C -2.994 -3.279 11.855 1.00 . A A . 19 GLU CD 1 1 6 2575 1 1 19 GLU CG C -2.055 -2.086 11.656 1.00 . A A . 19 GLU CG 1 1 6 2576 1 1 19 GLU H H -1.888 0.932 9.786 1.00 . A A . 19 GLU H 1 1 6 2577 1 1 19 GLU HA H -2.555 -1.740 9.279 1.00 . A A . 19 GLU HA 1 1 6 2578 1 1 19 GLU HB2 H -2.339 0.038 11.499 1.00 . A A . 19 GLU HB2 1 1 6 2579 1 1 19 GLU HB3 H -3.830 -0.882 11.698 1.00 . A A . 19 GLU HB3 1 1 6 2580 1 1 19 GLU HG2 H -1.324 -2.325 10.895 1.00 . A A . 19 GLU HG2 1 1 6 2581 1 1 19 GLU HG3 H -1.549 -1.868 12.584 1.00 . A A . 19 GLU HG3 1 1 6 2582 1 1 19 GLU N N -2.392 0.357 9.174 1.00 . A A . 19 GLU N 1 1 6 2583 1 1 19 GLU O O -4.967 -2.040 8.908 1.00 . A A . 19 GLU O 1 1 6 2584 1 1 19 GLU OE1 O -3.279 -3.954 10.880 1.00 . A A . 19 GLU OE1 1 1 6 2585 1 1 19 GLU OE2 O -3.412 -3.496 12.980 1.00 . A A . 19 GLU OE2 1 1 6 2586 1 1 20 PRO C C -6.762 -0.048 7.444 1.00 . A A . 20 PRO C 1 1 6 2587 1 1 20 PRO CA C -6.666 0.068 8.982 1.00 . A A . 20 PRO CA 1 1 6 2588 1 1 20 PRO CB C -7.227 1.399 9.478 1.00 . A A . 20 PRO CB 1 1 6 2589 1 1 20 PRO CD C -4.851 1.438 9.884 1.00 . A A . 20 PRO CD 1 1 6 2590 1 1 20 PRO CG C -6.042 2.305 9.573 1.00 . A A . 20 PRO CG 1 1 6 2591 1 1 20 PRO HA H -7.181 -0.752 9.459 1.00 . A A . 20 PRO HA 1 1 6 2592 1 1 20 PRO HB2 H -7.947 1.789 8.773 1.00 . A A . 20 PRO HB2 1 1 6 2593 1 1 20 PRO HB3 H -7.677 1.279 10.451 1.00 . A A . 20 PRO HB3 1 1 6 2594 1 1 20 PRO HD2 H -3.980 1.796 9.357 1.00 . A A . 20 PRO HD2 1 1 6 2595 1 1 20 PRO HD3 H -4.669 1.409 10.947 1.00 . A A . 20 PRO HD3 1 1 6 2596 1 1 20 PRO HG2 H -5.894 2.816 8.631 1.00 . A A . 20 PRO HG2 1 1 6 2597 1 1 20 PRO HG3 H -6.186 3.023 10.365 1.00 . A A . 20 PRO HG3 1 1 6 2598 1 1 20 PRO N N -5.249 0.107 9.400 1.00 . A A . 20 PRO N 1 1 6 2599 1 1 20 PRO O O -7.818 0.150 6.875 1.00 . A A . 20 PRO O 1 1 6 2600 1 1 21 TYR C C -4.711 -1.566 4.796 1.00 . A A . 21 TYR C 1 1 6 2601 1 1 21 TYR CA C -5.710 -0.498 5.272 1.00 . A A . 21 TYR CA 1 1 6 2602 1 1 21 TYR CB C -5.307 0.886 4.740 1.00 . A A . 21 TYR CB 1 1 6 2603 1 1 21 TYR CD1 C -7.617 1.830 4.371 1.00 . A A . 21 TYR CD1 1 1 6 2604 1 1 21 TYR CD2 C -6.186 2.871 6.028 1.00 . A A . 21 TYR CD2 1 1 6 2605 1 1 21 TYR CE1 C -8.629 2.751 4.664 1.00 . A A . 21 TYR CE1 1 1 6 2606 1 1 21 TYR CE2 C -7.198 3.793 6.321 1.00 . A A . 21 TYR CE2 1 1 6 2607 1 1 21 TYR CG C -6.396 1.888 5.052 1.00 . A A . 21 TYR CG 1 1 6 2608 1 1 21 TYR CZ C -8.419 3.733 5.639 1.00 . A A . 21 TYR CZ 1 1 6 2609 1 1 21 TYR H H -4.811 -0.539 7.240 1.00 . A A . 21 TYR H 1 1 6 2610 1 1 21 TYR HA H -6.707 -0.742 4.943 1.00 . A A . 21 TYR HA 1 1 6 2611 1 1 21 TYR HB2 H -4.386 1.198 5.208 1.00 . A A . 21 TYR HB2 1 1 6 2612 1 1 21 TYR HB3 H -5.166 0.833 3.671 1.00 . A A . 21 TYR HB3 1 1 6 2613 1 1 21 TYR HD1 H -7.779 1.073 3.619 1.00 . A A . 21 TYR HD1 1 1 6 2614 1 1 21 TYR HD2 H -5.244 2.916 6.554 1.00 . A A . 21 TYR HD2 1 1 6 2615 1 1 21 TYR HE1 H -9.570 2.706 4.138 1.00 . A A . 21 TYR HE1 1 1 6 2616 1 1 21 TYR HE2 H -7.036 4.551 7.074 1.00 . A A . 21 TYR HE2 1 1 6 2617 1 1 21 TYR HH H -9.489 5.249 5.186 1.00 . A A . 21 TYR HH 1 1 6 2618 1 1 21 TYR N N -5.666 -0.373 6.765 1.00 . A A . 21 TYR N 1 1 6 2619 1 1 21 TYR O O -3.945 -2.102 5.574 1.00 . A A . 21 TYR O 1 1 6 2620 1 1 21 TYR OH O -9.415 4.644 5.928 1.00 . A A . 21 TYR OH 1 1 6 2621 1 1 22 THR C C -3.395 -2.587 1.529 1.00 . A A . 22 THR C 1 1 6 2622 1 1 22 THR CA C -3.770 -2.910 2.982 1.00 . A A . 22 THR CA 1 1 6 2623 1 1 22 THR CB C -4.524 -4.247 3.050 1.00 . A A . 22 THR CB 1 1 6 2624 1 1 22 THR CG2 C -4.363 -4.860 4.444 1.00 . A A . 22 THR CG2 1 1 6 2625 1 1 22 THR H H -5.344 -1.429 2.912 1.00 . A A . 22 THR H 1 1 6 2626 1 1 22 THR HA H -2.883 -2.958 3.594 1.00 . A A . 22 THR HA 1 1 6 2627 1 1 22 THR HB H -4.110 -4.925 2.319 1.00 . A A . 22 THR HB 1 1 6 2628 1 1 22 THR HG1 H -6.261 -4.858 2.417 1.00 . A A . 22 THR HG1 1 1 6 2629 1 1 22 THR HG21 H -4.404 -5.937 4.370 1.00 . A A . 22 THR HG21 1 1 6 2630 1 1 22 THR HG22 H -3.412 -4.565 4.861 1.00 . A A . 22 THR HG22 1 1 6 2631 1 1 22 THR HG23 H -5.160 -4.513 5.084 1.00 . A A . 22 THR HG23 1 1 6 2632 1 1 22 THR N N -4.718 -1.876 3.519 1.00 . A A . 22 THR N 1 1 6 2633 1 1 22 THR O O -4.122 -1.907 0.828 1.00 . A A . 22 THR O 1 1 6 2634 1 1 22 THR OG1 O -5.905 -4.041 2.775 1.00 . A A . 22 THR OG1 1 1 6 2635 1 1 23 CYS C C -2.428 -3.862 -1.279 1.00 . A A . 23 CYS C 1 1 6 2636 1 1 23 CYS CA C -1.841 -2.806 -0.337 1.00 . A A . 23 CYS CA 1 1 6 2637 1 1 23 CYS CB C -0.311 -2.903 -0.327 1.00 . A A . 23 CYS CB 1 1 6 2638 1 1 23 CYS H H -1.703 -3.626 1.657 1.00 . A A . 23 CYS H 1 1 6 2639 1 1 23 CYS HA H -2.145 -1.818 -0.641 1.00 . A A . 23 CYS HA 1 1 6 2640 1 1 23 CYS HB2 H -0.005 -3.683 0.355 1.00 . A A . 23 CYS HB2 1 1 6 2641 1 1 23 CYS HB3 H 0.040 -3.138 -1.321 1.00 . A A . 23 CYS HB3 1 1 6 2642 1 1 23 CYS N N -2.267 -3.076 1.073 1.00 . A A . 23 CYS N 1 1 6 2643 1 1 23 CYS O O -2.386 -5.046 -1.000 1.00 . A A . 23 CYS O 1 1 6 2644 1 1 23 CYS SG S 0.400 -1.326 0.205 1.00 . A A . 23 CYS SG 1 1 6 2645 1 1 24 THR C C -2.424 -5.264 -4.001 1.00 . A A . 24 THR C 1 1 6 2646 1 1 24 THR CA C -3.545 -4.425 -3.370 1.00 . A A . 24 THR CA 1 1 6 2647 1 1 24 THR CB C -4.252 -3.576 -4.435 1.00 . A A . 24 THR CB 1 1 6 2648 1 1 24 THR CG2 C -4.910 -4.490 -5.473 1.00 . A A . 24 THR CG2 1 1 6 2649 1 1 24 THR H H -2.979 -2.484 -2.606 1.00 . A A . 24 THR H 1 1 6 2650 1 1 24 THR HA H -4.258 -5.063 -2.876 1.00 . A A . 24 THR HA 1 1 6 2651 1 1 24 THR HB H -3.531 -2.942 -4.927 1.00 . A A . 24 THR HB 1 1 6 2652 1 1 24 THR HG1 H -5.285 -1.933 -4.279 1.00 . A A . 24 THR HG1 1 1 6 2653 1 1 24 THR HG21 H -4.282 -4.550 -6.348 1.00 . A A . 24 THR HG21 1 1 6 2654 1 1 24 THR HG22 H -5.038 -5.477 -5.053 1.00 . A A . 24 THR HG22 1 1 6 2655 1 1 24 THR HG23 H -5.874 -4.089 -5.747 1.00 . A A . 24 THR HG23 1 1 6 2656 1 1 24 THR N N -2.965 -3.442 -2.400 1.00 . A A . 24 THR N 1 1 6 2657 1 1 24 THR O O -2.617 -6.416 -4.342 1.00 . A A . 24 THR O 1 1 6 2658 1 1 24 THR OG1 O -5.247 -2.772 -3.813 1.00 . A A . 24 THR OG1 1 1 6 2659 1 1 25 SER C C 1.160 -5.220 -3.910 1.00 . A A . 25 SER C 1 1 6 2660 1 1 25 SER CA C -0.107 -5.440 -4.748 1.00 . A A . 25 SER CA 1 1 6 2661 1 1 25 SER CB C 0.068 -4.849 -6.149 1.00 . A A . 25 SER CB 1 1 6 2662 1 1 25 SER H H -1.127 -3.765 -3.861 1.00 . A A . 25 SER H 1 1 6 2663 1 1 25 SER HA H -0.336 -6.491 -4.817 1.00 . A A . 25 SER HA 1 1 6 2664 1 1 25 SER HB2 H 0.187 -3.781 -6.079 1.00 . A A . 25 SER HB2 1 1 6 2665 1 1 25 SER HB3 H 0.950 -5.276 -6.610 1.00 . A A . 25 SER HB3 1 1 6 2666 1 1 25 SER HG H -0.884 -5.910 -7.474 1.00 . A A . 25 SER HG 1 1 6 2667 1 1 25 SER N N -1.254 -4.691 -4.150 1.00 . A A . 25 SER N 1 1 6 2668 1 1 25 SER O O 1.140 -4.530 -2.907 1.00 . A A . 25 SER O 1 1 6 2669 1 1 25 SER OG O -1.080 -5.142 -6.934 1.00 . A A . 25 SER OG 1 1 6 2670 1 1 26 ASP C C 4.372 -4.481 -4.134 1.00 . A A . 26 ASP C 1 1 6 2671 1 1 26 ASP CA C 3.534 -5.627 -3.548 1.00 . A A . 26 ASP CA 1 1 6 2672 1 1 26 ASP CB C 4.274 -6.959 -3.693 1.00 . A A . 26 ASP CB 1 1 6 2673 1 1 26 ASP CG C 3.813 -7.921 -2.596 1.00 . A A . 26 ASP CG 1 1 6 2674 1 1 26 ASP H H 2.252 -6.351 -5.127 1.00 . A A . 26 ASP H 1 1 6 2675 1 1 26 ASP HA H 3.321 -5.439 -2.507 1.00 . A A . 26 ASP HA 1 1 6 2676 1 1 26 ASP HB2 H 4.060 -7.386 -4.663 1.00 . A A . 26 ASP HB2 1 1 6 2677 1 1 26 ASP HB3 H 5.335 -6.792 -3.600 1.00 . A A . 26 ASP HB3 1 1 6 2678 1 1 26 ASP N N 2.261 -5.801 -4.315 1.00 . A A . 26 ASP N 1 1 6 2679 1 1 26 ASP O O 5.174 -3.879 -3.444 1.00 . A A . 26 ASP O 1 1 6 2680 1 1 26 ASP OD1 O 4.274 -7.777 -1.476 1.00 . A A . 26 ASP OD1 1 1 6 2681 1 1 26 ASP OD2 O 3.003 -8.784 -2.895 1.00 . A A . 26 ASP OD2 1 1 6 2682 1 1 27 TYR C C 4.106 -1.850 -6.259 1.00 . A A . 27 TYR C 1 1 6 2683 1 1 27 TYR CA C 4.994 -3.075 -6.022 1.00 . A A . 27 TYR CA 1 1 6 2684 1 1 27 TYR CB C 5.501 -3.650 -7.351 1.00 . A A . 27 TYR CB 1 1 6 2685 1 1 27 TYR CD1 C 6.086 -6.048 -6.818 1.00 . A A . 27 TYR CD1 1 1 6 2686 1 1 27 TYR CD2 C 7.883 -4.441 -7.081 1.00 . A A . 27 TYR CD2 1 1 6 2687 1 1 27 TYR CE1 C 7.023 -7.056 -6.562 1.00 . A A . 27 TYR CE1 1 1 6 2688 1 1 27 TYR CE2 C 8.821 -5.449 -6.825 1.00 . A A . 27 TYR CE2 1 1 6 2689 1 1 27 TYR CG C 6.516 -4.740 -7.077 1.00 . A A . 27 TYR CG 1 1 6 2690 1 1 27 TYR CZ C 8.390 -6.757 -6.566 1.00 . A A . 27 TYR CZ 1 1 6 2691 1 1 27 TYR H H 3.552 -4.677 -5.938 1.00 . A A . 27 TYR H 1 1 6 2692 1 1 27 TYR HA H 5.826 -2.814 -5.396 1.00 . A A . 27 TYR HA 1 1 6 2693 1 1 27 TYR HB2 H 4.671 -4.061 -7.906 1.00 . A A . 27 TYR HB2 1 1 6 2694 1 1 27 TYR HB3 H 5.965 -2.864 -7.928 1.00 . A A . 27 TYR HB3 1 1 6 2695 1 1 27 TYR HD1 H 5.030 -6.279 -6.815 1.00 . A A . 27 TYR HD1 1 1 6 2696 1 1 27 TYR HD2 H 8.217 -3.433 -7.280 1.00 . A A . 27 TYR HD2 1 1 6 2697 1 1 27 TYR HE1 H 6.691 -8.064 -6.363 1.00 . A A . 27 TYR HE1 1 1 6 2698 1 1 27 TYR HE2 H 9.876 -5.219 -6.827 1.00 . A A . 27 TYR HE2 1 1 6 2699 1 1 27 TYR HH H 9.451 -7.795 -5.365 1.00 . A A . 27 TYR HH 1 1 6 2700 1 1 27 TYR N N 4.200 -4.178 -5.399 1.00 . A A . 27 TYR N 1 1 6 2701 1 1 27 TYR O O 4.344 -0.789 -5.713 1.00 . A A . 27 TYR O 1 1 6 2702 1 1 27 TYR OH O 9.314 -7.751 -6.314 1.00 . A A . 27 TYR OH 1 1 6 2703 1 1 28 TYR C C 0.734 -1.213 -6.965 1.00 . A A . 28 TYR C 1 1 6 2704 1 1 28 TYR CA C 2.173 -0.840 -7.337 1.00 . A A . 28 TYR CA 1 1 6 2705 1 1 28 TYR CB C 2.290 -0.572 -8.843 1.00 . A A . 28 TYR CB 1 1 6 2706 1 1 28 TYR CD1 C 4.397 0.787 -8.535 1.00 . A A . 28 TYR CD1 1 1 6 2707 1 1 28 TYR CD2 C 4.381 -0.983 -10.194 1.00 . A A . 28 TYR CD2 1 1 6 2708 1 1 28 TYR CE1 C 5.724 1.084 -8.866 1.00 . A A . 28 TYR CE1 1 1 6 2709 1 1 28 TYR CE2 C 5.707 -0.685 -10.525 1.00 . A A . 28 TYR CE2 1 1 6 2710 1 1 28 TYR CG C 3.725 -0.247 -9.199 1.00 . A A . 28 TYR CG 1 1 6 2711 1 1 28 TYR CZ C 6.380 0.348 -9.861 1.00 . A A . 28 TYR CZ 1 1 6 2712 1 1 28 TYR H H 2.917 -2.860 -7.485 1.00 . A A . 28 TYR H 1 1 6 2713 1 1 28 TYR HA H 2.488 0.031 -6.784 1.00 . A A . 28 TYR HA 1 1 6 2714 1 1 28 TYR HB2 H 1.975 -1.450 -9.389 1.00 . A A . 28 TYR HB2 1 1 6 2715 1 1 28 TYR HB3 H 1.658 0.262 -9.110 1.00 . A A . 28 TYR HB3 1 1 6 2716 1 1 28 TYR HD1 H 3.892 1.354 -7.768 1.00 . A A . 28 TYR HD1 1 1 6 2717 1 1 28 TYR HD2 H 3.862 -1.781 -10.706 1.00 . A A . 28 TYR HD2 1 1 6 2718 1 1 28 TYR HE1 H 6.243 1.881 -8.354 1.00 . A A . 28 TYR HE1 1 1 6 2719 1 1 28 TYR HE2 H 6.213 -1.252 -11.292 1.00 . A A . 28 TYR HE2 1 1 6 2720 1 1 28 TYR HH H 8.255 0.000 -9.752 1.00 . A A . 28 TYR HH 1 1 6 2721 1 1 28 TYR N N 3.085 -1.992 -7.063 1.00 . A A . 28 TYR N 1 1 6 2722 1 1 28 TYR O O -0.006 -1.751 -7.768 1.00 . A A . 28 TYR O 1 1 6 2723 1 1 28 TYR OH O 7.688 0.642 -10.188 1.00 . A A . 28 TYR OH 1 1 6 2724 1 1 29 GLY C C -1.694 -0.054 -4.645 1.00 . A A . 29 GLY C 1 1 6 2725 1 1 29 GLY CA C -1.049 -1.270 -5.314 1.00 . A A . 29 GLY CA 1 1 6 2726 1 1 29 GLY H H 0.954 -0.501 -5.121 1.00 . A A . 29 GLY H 1 1 6 2727 1 1 29 GLY HA2 H -1.637 -1.560 -6.174 1.00 . A A . 29 GLY HA2 1 1 6 2728 1 1 29 GLY HA3 H -1.015 -2.085 -4.611 1.00 . A A . 29 GLY HA3 1 1 6 2729 1 1 29 GLY N N 0.337 -0.932 -5.750 1.00 . A A . 29 GLY N 1 1 6 2730 1 1 29 GLY O O -1.031 0.915 -4.323 1.00 . A A . 29 GLY O 1 1 6 2731 1 1 30 ASN C C -4.230 0.630 -2.411 1.00 . A A . 30 ASN C 1 1 6 2732 1 1 30 ASN CA C -3.685 1.047 -3.781 1.00 . A A . 30 ASN CA 1 1 6 2733 1 1 30 ASN CB C -4.832 1.405 -4.730 1.00 . A A . 30 ASN CB 1 1 6 2734 1 1 30 ASN CG C -4.706 2.872 -5.153 1.00 . A A . 30 ASN CG 1 1 6 2735 1 1 30 ASN H H -3.493 -0.893 -4.700 1.00 . A A . 30 ASN H 1 1 6 2736 1 1 30 ASN HA H -3.016 1.887 -3.680 1.00 . A A . 30 ASN HA 1 1 6 2737 1 1 30 ASN HB2 H -4.787 0.772 -5.606 1.00 . A A . 30 ASN HB2 1 1 6 2738 1 1 30 ASN HB3 H -5.776 1.258 -4.228 1.00 . A A . 30 ASN HB3 1 1 6 2739 1 1 30 ASN HD21 H -4.336 2.442 -7.057 1.00 . A A . 30 ASN HD21 1 1 6 2740 1 1 30 ASN HD22 H -4.365 4.096 -6.678 1.00 . A A . 30 ASN HD22 1 1 6 2741 1 1 30 ASN N N -2.984 -0.101 -4.432 1.00 . A A . 30 ASN N 1 1 6 2742 1 1 30 ASN ND2 N -4.447 3.160 -6.400 1.00 . A A . 30 ASN ND2 1 1 6 2743 1 1 30 ASN O O -4.476 -0.535 -2.157 1.00 . A A . 30 ASN O 1 1 6 2744 1 1 30 ASN OD1 O -4.844 3.764 -4.340 1.00 . A A . 30 ASN OD1 1 1 6 2745 1 1 31 CYS C C -6.469 1.504 -0.130 1.00 . A A . 31 CYS C 1 1 6 2746 1 1 31 CYS CA C -4.958 1.250 -0.171 1.00 . A A . 31 CYS CA 1 1 6 2747 1 1 31 CYS CB C -4.234 2.197 0.792 1.00 . A A . 31 CYS CB 1 1 6 2748 1 1 31 CYS H H -4.221 2.509 -1.761 1.00 . A A . 31 CYS H 1 1 6 2749 1 1 31 CYS HA H -4.739 0.224 0.084 1.00 . A A . 31 CYS HA 1 1 6 2750 1 1 31 CYS HB2 H -4.569 3.208 0.617 1.00 . A A . 31 CYS HB2 1 1 6 2751 1 1 31 CYS HB3 H -4.461 1.916 1.809 1.00 . A A . 31 CYS HB3 1 1 6 2752 1 1 31 CYS N N -4.423 1.577 -1.529 1.00 . A A . 31 CYS N 1 1 6 2753 1 1 31 CYS O O -6.994 2.276 -0.911 1.00 . A A . 31 CYS O 1 1 6 2754 1 1 31 CYS SG S -2.445 2.107 0.528 1.00 . A A . 31 CYS SG 1 1 6 2755 1 1 32 SER C C -9.240 0.149 1.961 1.00 . A A . 32 SER C 1 1 6 2756 1 1 32 SER CA C -8.651 1.077 0.887 1.00 . A A . 32 SER CA 1 1 6 2757 1 1 32 SER CB C -9.218 0.736 -0.498 1.00 . A A . 32 SER CB 1 1 6 2758 1 1 32 SER H H -6.720 0.260 1.402 1.00 . A A . 32 SER H 1 1 6 2759 1 1 32 SER HA H -8.862 2.107 1.128 1.00 . A A . 32 SER HA 1 1 6 2760 1 1 32 SER HB2 H -9.193 1.614 -1.123 1.00 . A A . 32 SER HB2 1 1 6 2761 1 1 32 SER HB3 H -8.616 -0.040 -0.952 1.00 . A A . 32 SER HB3 1 1 6 2762 1 1 32 SER HG H -10.597 -0.636 -0.598 1.00 . A A . 32 SER HG 1 1 6 2763 1 1 32 SER N N -7.169 0.870 0.780 1.00 . A A . 32 SER N 1 1 6 2764 1 1 32 SER O O -10.135 0.587 2.664 1.00 . A A . 32 SER O 1 1 6 2765 1 1 32 SER OXT O -8.788 -0.981 2.060 1.00 . A A . 32 SER OXT 1 1 6 2766 1 1 32 SER OG O -10.566 0.297 -0.373 1.00 . A A . 32 SER OG 1 1 7 2767 1 1 1 CYS C C 1.931 4.855 5.689 1.00 . A A . 1 CYS C 1 1 7 2768 1 1 1 CYS CA C 2.442 3.997 6.853 1.00 . A A . 1 CYS CA 1 1 7 2769 1 1 1 CYS CB C 1.275 3.575 7.755 1.00 . A A . 1 CYS CB 1 1 7 2770 1 1 1 CYS H1 H 3.934 5.415 7.151 1.00 . A A . 1 CYS H1 1 1 7 2771 1 1 1 CYS H2 H 2.797 5.354 8.389 1.00 . A A . 1 CYS H2 1 1 7 2772 1 1 1 CYS H3 H 3.176 6.138 5.260 1.00 . A A . 1 CYS H3 1 1 7 2773 1 1 1 CYS HA H 2.949 3.122 6.478 1.00 . A A . 1 CYS HA 1 1 7 2774 1 1 1 CYS HB2 H 0.765 2.734 7.307 1.00 . A A . 1 CYS HB2 1 1 7 2775 1 1 1 CYS HB3 H 1.656 3.288 8.725 1.00 . A A . 1 CYS HB3 1 1 7 2776 1 1 1 CYS N N 3.356 4.791 7.731 1.00 . A A . 1 CYS N 1 1 7 2777 1 1 1 CYS O O 2.210 6.037 5.604 1.00 . A A . 1 CYS O 1 1 7 2778 1 1 1 CYS SG S 0.117 4.961 7.941 1.00 . A A . 1 CYS SG 1 1 7 2779 1 1 2 ILE C C -0.860 5.351 3.901 1.00 . A A . 2 ILE C 1 1 7 2780 1 1 2 ILE CA C 0.617 5.034 3.647 1.00 . A A . 2 ILE CA 1 1 7 2781 1 1 2 ILE CB C 0.764 4.101 2.439 1.00 . A A . 2 ILE CB 1 1 7 2782 1 1 2 ILE CD1 C 2.554 2.433 1.932 1.00 . A A . 2 ILE CD1 1 1 7 2783 1 1 2 ILE CG1 C 2.249 3.921 2.108 1.00 . A A . 2 ILE CG1 1 1 7 2784 1 1 2 ILE CG2 C 0.044 4.698 1.224 1.00 . A A . 2 ILE CG2 1 1 7 2785 1 1 2 ILE H H 0.952 3.316 4.903 1.00 . A A . 2 ILE H 1 1 7 2786 1 1 2 ILE HA H 1.182 5.941 3.489 1.00 . A A . 2 ILE HA 1 1 7 2787 1 1 2 ILE HB H 0.326 3.144 2.678 1.00 . A A . 2 ILE HB 1 1 7 2788 1 1 2 ILE HD11 H 2.814 2.004 2.888 1.00 . A A . 2 ILE HD11 1 1 7 2789 1 1 2 ILE HD12 H 1.684 1.929 1.537 1.00 . A A . 2 ILE HD12 1 1 7 2790 1 1 2 ILE HD13 H 3.382 2.315 1.248 1.00 . A A . 2 ILE HD13 1 1 7 2791 1 1 2 ILE HG12 H 2.480 4.449 1.195 1.00 . A A . 2 ILE HG12 1 1 7 2792 1 1 2 ILE HG13 H 2.848 4.317 2.915 1.00 . A A . 2 ILE HG13 1 1 7 2793 1 1 2 ILE HG21 H -1.002 4.831 1.454 1.00 . A A . 2 ILE HG21 1 1 7 2794 1 1 2 ILE HG22 H 0.483 5.653 0.977 1.00 . A A . 2 ILE HG22 1 1 7 2795 1 1 2 ILE HG23 H 0.144 4.028 0.382 1.00 . A A . 2 ILE HG23 1 1 7 2796 1 1 2 ILE N N 1.170 4.266 4.803 1.00 . A A . 2 ILE N 1 1 7 2797 1 1 2 ILE O O -1.573 4.544 4.470 1.00 . A A . 2 ILE O 1 1 7 2798 1 1 3 PRO C C -3.607 6.088 2.732 1.00 . A A . 3 PRO C 1 1 7 2799 1 1 3 PRO CA C -2.695 6.919 3.640 1.00 . A A . 3 PRO CA 1 1 7 2800 1 1 3 PRO CB C -2.703 8.390 3.229 1.00 . A A . 3 PRO CB 1 1 7 2801 1 1 3 PRO CD C -0.495 7.544 2.766 1.00 . A A . 3 PRO CD 1 1 7 2802 1 1 3 PRO CG C -1.528 8.544 2.319 1.00 . A A . 3 PRO CG 1 1 7 2803 1 1 3 PRO HA H -2.991 6.822 4.672 1.00 . A A . 3 PRO HA 1 1 7 2804 1 1 3 PRO HB2 H -3.620 8.625 2.705 1.00 . A A . 3 PRO HB2 1 1 7 2805 1 1 3 PRO HB3 H -2.589 9.023 4.093 1.00 . A A . 3 PRO HB3 1 1 7 2806 1 1 3 PRO HD2 H 0.019 7.124 1.912 1.00 . A A . 3 PRO HD2 1 1 7 2807 1 1 3 PRO HD3 H 0.207 7.999 3.448 1.00 . A A . 3 PRO HD3 1 1 7 2808 1 1 3 PRO HG2 H -1.824 8.345 1.298 1.00 . A A . 3 PRO HG2 1 1 7 2809 1 1 3 PRO HG3 H -1.127 9.543 2.400 1.00 . A A . 3 PRO HG3 1 1 7 2810 1 1 3 PRO N N -1.280 6.513 3.461 1.00 . A A . 3 PRO N 1 1 7 2811 1 1 3 PRO O O -3.240 5.732 1.629 1.00 . A A . 3 PRO O 1 1 7 2812 1 1 4 LYS C C -6.002 5.644 1.012 1.00 . A A . 4 LYS C 1 1 7 2813 1 1 4 LYS CA C -5.734 4.956 2.361 1.00 . A A . 4 LYS CA 1 1 7 2814 1 1 4 LYS CB C -7.022 4.855 3.193 1.00 . A A . 4 LYS CB 1 1 7 2815 1 1 4 LYS CD C -7.371 7.144 4.165 1.00 . A A . 4 LYS CD 1 1 7 2816 1 1 4 LYS CE C -8.585 7.816 4.812 1.00 . A A . 4 LYS CE 1 1 7 2817 1 1 4 LYS CG C -7.840 6.153 3.095 1.00 . A A . 4 LYS CG 1 1 7 2818 1 1 4 LYS H H -5.054 6.056 4.091 1.00 . A A . 4 LYS H 1 1 7 2819 1 1 4 LYS HA H -5.328 3.971 2.202 1.00 . A A . 4 LYS HA 1 1 7 2820 1 1 4 LYS HB2 H -7.617 4.030 2.830 1.00 . A A . 4 LYS HB2 1 1 7 2821 1 1 4 LYS HB3 H -6.763 4.679 4.225 1.00 . A A . 4 LYS HB3 1 1 7 2822 1 1 4 LYS HD2 H -6.806 6.616 4.921 1.00 . A A . 4 LYS HD2 1 1 7 2823 1 1 4 LYS HD3 H -6.745 7.895 3.709 1.00 . A A . 4 LYS HD3 1 1 7 2824 1 1 4 LYS HE2 H -8.995 8.563 4.148 1.00 . A A . 4 LYS HE2 1 1 7 2825 1 1 4 LYS HE3 H -9.333 7.081 5.061 1.00 . A A . 4 LYS HE3 1 1 7 2826 1 1 4 LYS HG2 H -7.711 6.589 2.116 1.00 . A A . 4 LYS HG2 1 1 7 2827 1 1 4 LYS HG3 H -8.884 5.928 3.250 1.00 . A A . 4 LYS HG3 1 1 7 2828 1 1 4 LYS HZ1 H -8.822 8.529 6.748 1.00 . A A . 4 LYS HZ1 1 1 7 2829 1 1 4 LYS HZ3 H -7.705 9.394 5.836 1.00 . A A . 4 LYS HZ3 1 1 7 2830 1 1 4 LYS N N -4.789 5.768 3.194 1.00 . A A . 4 LYS N 1 1 7 2831 1 1 4 LYS NZ N -8.063 8.454 6.056 1.00 . A A . 4 LYS NZ 1 1 7 2832 1 1 4 LYS O O -5.731 6.819 0.838 1.00 . A A . 4 LYS O 1 1 7 2833 1 1 5 TRP C C -5.574 6.100 -1.927 1.00 . A A . 5 TRP C 1 1 7 2834 1 1 5 TRP CA C -6.834 5.487 -1.288 1.00 . A A . 5 TRP CA 1 1 7 2835 1 1 5 TRP CB C -7.906 6.552 -1.046 1.00 . A A . 5 TRP CB 1 1 7 2836 1 1 5 TRP CD1 C -9.764 5.245 0.048 1.00 . A A . 5 TRP CD1 1 1 7 2837 1 1 5 TRP CD2 C -10.235 5.796 -2.078 1.00 . A A . 5 TRP CD2 1 1 7 2838 1 1 5 TRP CE2 C -11.354 5.082 -1.589 1.00 . A A . 5 TRP CE2 1 1 7 2839 1 1 5 TRP CE3 C -10.271 6.259 -3.403 1.00 . A A . 5 TRP CE3 1 1 7 2840 1 1 5 TRP CG C -9.245 5.893 -1.017 1.00 . A A . 5 TRP CG 1 1 7 2841 1 1 5 TRP CH2 C -12.492 5.305 -3.706 1.00 . A A . 5 TRP CH2 1 1 7 2842 1 1 5 TRP CZ2 C -12.471 4.837 -2.389 1.00 . A A . 5 TRP CZ2 1 1 7 2843 1 1 5 TRP CZ3 C -11.393 6.014 -4.213 1.00 . A A . 5 TRP CZ3 1 1 7 2844 1 1 5 TRP H H -6.739 3.968 0.239 1.00 . A A . 5 TRP H 1 1 7 2845 1 1 5 TRP HA H -7.237 4.720 -1.931 1.00 . A A . 5 TRP HA 1 1 7 2846 1 1 5 TRP HB2 H -7.724 7.045 -0.103 1.00 . A A . 5 TRP HB2 1 1 7 2847 1 1 5 TRP HB3 H -7.880 7.280 -1.844 1.00 . A A . 5 TRP HB3 1 1 7 2848 1 1 5 TRP HD1 H -9.279 5.124 1.002 1.00 . A A . 5 TRP HD1 1 1 7 2849 1 1 5 TRP HE1 H -11.612 4.266 0.312 1.00 . A A . 5 TRP HE1 1 1 7 2850 1 1 5 TRP HE3 H -9.427 6.803 -3.803 1.00 . A A . 5 TRP HE3 1 1 7 2851 1 1 5 TRP HH2 H -13.350 5.119 -4.333 1.00 . A A . 5 TRP HH2 1 1 7 2852 1 1 5 TRP HZ2 H -13.315 4.291 -1.992 1.00 . A A . 5 TRP HZ2 1 1 7 2853 1 1 5 TRP HZ3 H -11.409 6.374 -5.231 1.00 . A A . 5 TRP HZ3 1 1 7 2854 1 1 5 TRP N N -6.533 4.909 0.063 1.00 . A A . 5 TRP N 1 1 7 2855 1 1 5 TRP NE1 N -11.019 4.768 -0.287 1.00 . A A . 5 TRP NE1 1 1 7 2856 1 1 5 TRP O O -5.657 7.029 -2.708 1.00 . A A . 5 TRP O 1 1 7 2857 1 1 6 ASN C C -2.237 4.989 -2.659 1.00 . A A . 6 ASN C 1 1 7 2858 1 1 6 ASN CA C -3.149 6.128 -2.190 1.00 . A A . 6 ASN CA 1 1 7 2859 1 1 6 ASN CB C -2.486 6.910 -1.056 1.00 . A A . 6 ASN CB 1 1 7 2860 1 1 6 ASN CG C -2.459 8.396 -1.411 1.00 . A A . 6 ASN CG 1 1 7 2861 1 1 6 ASN H H -4.368 4.835 -0.970 1.00 . A A . 6 ASN H 1 1 7 2862 1 1 6 ASN HA H -3.372 6.791 -3.011 1.00 . A A . 6 ASN HA 1 1 7 2863 1 1 6 ASN HB2 H -3.049 6.771 -0.146 1.00 . A A . 6 ASN HB2 1 1 7 2864 1 1 6 ASN HB3 H -1.476 6.557 -0.914 1.00 . A A . 6 ASN HB3 1 1 7 2865 1 1 6 ASN HD21 H -4.410 8.642 -1.121 1.00 . A A . 6 ASN HD21 1 1 7 2866 1 1 6 ASN HD22 H -3.565 10.033 -1.601 1.00 . A A . 6 ASN HD22 1 1 7 2867 1 1 6 ASN N N -4.411 5.583 -1.601 1.00 . A A . 6 ASN N 1 1 7 2868 1 1 6 ASN ND2 N -3.570 9.081 -1.375 1.00 . A A . 6 ASN ND2 1 1 7 2869 1 1 6 ASN O O -2.364 3.859 -2.221 1.00 . A A . 6 ASN O 1 1 7 2870 1 1 6 ASN OD1 O -1.418 8.940 -1.725 1.00 . A A . 6 ASN OD1 1 1 7 2871 1 1 7 ARG C C 0.408 3.604 -2.893 1.00 . A A . 7 ARG C 1 1 7 2872 1 1 7 ARG CA C -0.386 4.221 -4.054 1.00 . A A . 7 ARG CA 1 1 7 2873 1 1 7 ARG CB C 0.550 4.936 -5.041 1.00 . A A . 7 ARG CB 1 1 7 2874 1 1 7 ARG CD C 1.528 7.244 -5.067 1.00 . A A . 7 ARG CD 1 1 7 2875 1 1 7 ARG CG C 1.452 5.925 -4.292 1.00 . A A . 7 ARG CG 1 1 7 2876 1 1 7 ARG CZ C 2.342 9.139 -3.787 1.00 . A A . 7 ARG CZ 1 1 7 2877 1 1 7 ARG H H -1.238 6.200 -3.882 1.00 . A A . 7 ARG H 1 1 7 2878 1 1 7 ARG HA H -0.944 3.457 -4.570 1.00 . A A . 7 ARG HA 1 1 7 2879 1 1 7 ARG HB2 H 1.163 4.204 -5.547 1.00 . A A . 7 ARG HB2 1 1 7 2880 1 1 7 ARG HB3 H -0.042 5.472 -5.770 1.00 . A A . 7 ARG HB3 1 1 7 2881 1 1 7 ARG HD2 H 2.488 7.337 -5.556 1.00 . A A . 7 ARG HD2 1 1 7 2882 1 1 7 ARG HD3 H 0.728 7.306 -5.789 1.00 . A A . 7 ARG HD3 1 1 7 2883 1 1 7 ARG HG2 H 1.045 6.108 -3.309 1.00 . A A . 7 ARG HG2 1 1 7 2884 1 1 7 ARG HG3 H 2.443 5.508 -4.200 1.00 . A A . 7 ARG HG3 1 1 7 2885 1 1 7 ARG HH11 H 3.555 7.733 -3.027 1.00 . A A . 7 ARG HH11 1 1 7 2886 1 1 7 ARG HH12 H 4.201 9.339 -3.060 1.00 . A A . 7 ARG HH12 1 1 7 2887 1 1 7 ARG HH21 H 1.358 10.741 -4.483 1.00 . A A . 7 ARG HH21 1 1 7 2888 1 1 7 ARG HH22 H 2.955 11.046 -3.885 1.00 . A A . 7 ARG HH22 1 1 7 2889 1 1 7 ARG N N -1.317 5.281 -3.547 1.00 . A A . 7 ARG N 1 1 7 2890 1 1 7 ARG NE N 1.363 8.306 -4.034 1.00 . A A . 7 ARG NE 1 1 7 2891 1 1 7 ARG NH1 N 3.452 8.702 -3.250 1.00 . A A . 7 ARG NH1 1 1 7 2892 1 1 7 ARG NH2 N 2.207 10.407 -4.074 1.00 . A A . 7 ARG NH2 1 1 7 2893 1 1 7 ARG O O 0.774 4.280 -1.947 1.00 . A A . 7 ARG O 1 1 7 2894 1 1 8 CYS C C 2.437 0.640 -2.446 1.00 . A A . 8 CYS C 1 1 7 2895 1 1 8 CYS CA C 1.438 1.649 -1.861 1.00 . A A . 8 CYS CA 1 1 7 2896 1 1 8 CYS CB C 0.385 0.933 -1.008 1.00 . A A . 8 CYS CB 1 1 7 2897 1 1 8 CYS H H 0.364 1.799 -3.729 1.00 . A A . 8 CYS H 1 1 7 2898 1 1 8 CYS HA H 1.957 2.381 -1.263 1.00 . A A . 8 CYS HA 1 1 7 2899 1 1 8 CYS HB2 H 0.875 0.246 -0.336 1.00 . A A . 8 CYS HB2 1 1 7 2900 1 1 8 CYS HB3 H -0.168 1.663 -0.434 1.00 . A A . 8 CYS HB3 1 1 7 2901 1 1 8 CYS N N 0.673 2.322 -2.958 1.00 . A A . 8 CYS N 1 1 7 2902 1 1 8 CYS O O 2.165 -0.011 -3.438 1.00 . A A . 8 CYS O 1 1 7 2903 1 1 8 CYS SG S -0.759 0.014 -2.072 1.00 . A A . 8 CYS SG 1 1 7 2904 1 1 9 GLY C C 5.542 -0.882 -1.205 1.00 . A A . 9 GLY C 1 1 7 2905 1 1 9 GLY CA C 4.611 -0.455 -2.348 1.00 . A A . 9 GLY CA 1 1 7 2906 1 1 9 GLY H H 3.784 1.046 -1.038 1.00 . A A . 9 GLY H 1 1 7 2907 1 1 9 GLY HA2 H 4.113 -1.325 -2.753 1.00 . A A . 9 GLY HA2 1 1 7 2908 1 1 9 GLY HA3 H 5.193 0.018 -3.123 1.00 . A A . 9 GLY HA3 1 1 7 2909 1 1 9 GLY N N 3.590 0.509 -1.835 1.00 . A A . 9 GLY N 1 1 7 2910 1 1 9 GLY O O 6.594 -0.301 -1.020 1.00 . A A . 9 GLY O 1 1 7 2911 1 1 10 PRO C C 7.163 -3.186 0.165 1.00 . A A . 10 PRO C 1 1 7 2912 1 1 10 PRO CA C 5.933 -2.404 0.663 1.00 . A A . 10 PRO CA 1 1 7 2913 1 1 10 PRO CB C 4.967 -3.327 1.405 1.00 . A A . 10 PRO CB 1 1 7 2914 1 1 10 PRO CD C 3.865 -2.638 -0.634 1.00 . A A . 10 PRO CD 1 1 7 2915 1 1 10 PRO CG C 3.967 -3.752 0.376 1.00 . A A . 10 PRO CG 1 1 7 2916 1 1 10 PRO HA H 6.236 -1.595 1.309 1.00 . A A . 10 PRO HA 1 1 7 2917 1 1 10 PRO HB2 H 5.495 -4.185 1.798 1.00 . A A . 10 PRO HB2 1 1 7 2918 1 1 10 PRO HB3 H 4.472 -2.791 2.200 1.00 . A A . 10 PRO HB3 1 1 7 2919 1 1 10 PRO HD2 H 3.786 -3.043 -1.634 1.00 . A A . 10 PRO HD2 1 1 7 2920 1 1 10 PRO HD3 H 3.025 -2.001 -0.413 1.00 . A A . 10 PRO HD3 1 1 7 2921 1 1 10 PRO HG2 H 4.301 -4.661 -0.106 1.00 . A A . 10 PRO HG2 1 1 7 2922 1 1 10 PRO HG3 H 3.006 -3.910 0.839 1.00 . A A . 10 PRO HG3 1 1 7 2923 1 1 10 PRO N N 5.122 -1.891 -0.474 1.00 . A A . 10 PRO N 1 1 7 2924 1 1 10 PRO O O 8.122 -3.362 0.892 1.00 . A A . 10 PRO O 1 1 7 2925 1 1 11 LYS C C 9.441 -3.461 -2.034 1.00 . A A . 11 LYS C 1 1 7 2926 1 1 11 LYS CA C 8.323 -4.417 -1.589 1.00 . A A . 11 LYS CA 1 1 7 2927 1 1 11 LYS CB C 7.789 -5.211 -2.785 1.00 . A A . 11 LYS CB 1 1 7 2928 1 1 11 LYS CD C 7.231 -7.452 -1.819 1.00 . A A . 11 LYS CD 1 1 7 2929 1 1 11 LYS CE C 7.887 -7.876 -0.501 1.00 . A A . 11 LYS CE 1 1 7 2930 1 1 11 LYS CG C 8.237 -6.672 -2.669 1.00 . A A . 11 LYS CG 1 1 7 2931 1 1 11 LYS H H 6.366 -3.501 -1.636 1.00 . A A . 11 LYS H 1 1 7 2932 1 1 11 LYS HA H 8.693 -5.095 -0.837 1.00 . A A . 11 LYS HA 1 1 7 2933 1 1 11 LYS HB2 H 6.710 -5.165 -2.798 1.00 . A A . 11 LYS HB2 1 1 7 2934 1 1 11 LYS HB3 H 8.177 -4.790 -3.701 1.00 . A A . 11 LYS HB3 1 1 7 2935 1 1 11 LYS HD2 H 6.375 -6.826 -1.610 1.00 . A A . 11 LYS HD2 1 1 7 2936 1 1 11 LYS HD3 H 6.910 -8.331 -2.357 1.00 . A A . 11 LYS HD3 1 1 7 2937 1 1 11 LYS HE2 H 8.326 -8.859 -0.600 1.00 . A A . 11 LYS HE2 1 1 7 2938 1 1 11 LYS HE3 H 8.637 -7.158 -0.204 1.00 . A A . 11 LYS HE3 1 1 7 2939 1 1 11 LYS HG2 H 8.294 -7.110 -3.656 1.00 . A A . 11 LYS HG2 1 1 7 2940 1 1 11 LYS HG3 H 9.210 -6.713 -2.202 1.00 . A A . 11 LYS HG3 1 1 7 2941 1 1 11 LYS HZ1 H 6.078 -8.599 0.217 1.00 . A A . 11 LYS HZ1 1 1 7 2942 1 1 11 LYS HZ3 H 6.335 -6.968 0.537 1.00 . A A . 11 LYS HZ3 1 1 7 2943 1 1 11 LYS N N 7.148 -3.653 -1.062 1.00 . A A . 11 LYS N 1 1 7 2944 1 1 11 LYS NZ N 6.778 -7.897 0.496 1.00 . A A . 11 LYS NZ 1 1 7 2945 1 1 11 LYS O O 10.576 -3.868 -2.201 1.00 . A A . 11 LYS O 1 1 7 2946 1 1 12 MET C C 10.555 -0.274 -1.519 1.00 . A A . 12 MET C 1 1 7 2947 1 1 12 MET CA C 10.183 -1.228 -2.664 1.00 . A A . 12 MET CA 1 1 7 2948 1 1 12 MET CB C 9.552 -0.456 -3.826 1.00 . A A . 12 MET CB 1 1 7 2949 1 1 12 MET CE C 12.735 -1.854 -5.019 1.00 . A A . 12 MET CE 1 1 7 2950 1 1 12 MET CG C 10.195 -0.894 -5.144 1.00 . A A . 12 MET CG 1 1 7 2951 1 1 12 MET H H 8.214 -1.891 -2.091 1.00 . A A . 12 MET H 1 1 7 2952 1 1 12 MET HA H 11.059 -1.754 -3.009 1.00 . A A . 12 MET HA 1 1 7 2953 1 1 12 MET HB2 H 8.491 -0.658 -3.857 1.00 . A A . 12 MET HB2 1 1 7 2954 1 1 12 MET HB3 H 9.711 0.603 -3.684 1.00 . A A . 12 MET HB3 1 1 7 2955 1 1 12 MET HE1 H 12.659 -2.170 -3.987 1.00 . A A . 12 MET HE1 1 1 7 2956 1 1 12 MET HE2 H 12.277 -2.593 -5.663 1.00 . A A . 12 MET HE2 1 1 7 2957 1 1 12 MET HE3 H 13.775 -1.748 -5.283 1.00 . A A . 12 MET HE3 1 1 7 2958 1 1 12 MET HG2 H 10.206 -1.973 -5.199 1.00 . A A . 12 MET HG2 1 1 7 2959 1 1 12 MET HG3 H 9.623 -0.499 -5.972 1.00 . A A . 12 MET HG3 1 1 7 2960 1 1 12 MET N N 9.134 -2.200 -2.228 1.00 . A A . 12 MET N 1 1 7 2961 1 1 12 MET O O 11.698 0.120 -1.387 1.00 . A A . 12 MET O 1 1 7 2962 1 1 12 MET SD S 11.891 -0.267 -5.230 1.00 . A A . 12 MET SD 1 1 7 2963 1 1 13 ASP C C 9.905 0.292 1.778 1.00 . A A . 13 ASP C 1 1 7 2964 1 1 13 ASP CA C 9.915 1.034 0.434 1.00 . A A . 13 ASP CA 1 1 7 2965 1 1 13 ASP CB C 8.803 2.085 0.399 1.00 . A A . 13 ASP CB 1 1 7 2966 1 1 13 ASP CG C 9.368 3.443 0.822 1.00 . A A . 13 ASP CG 1 1 7 2967 1 1 13 ASP H H 8.687 -0.225 -0.815 1.00 . A A . 13 ASP H 1 1 7 2968 1 1 13 ASP HA H 10.870 1.509 0.277 1.00 . A A . 13 ASP HA 1 1 7 2969 1 1 13 ASP HB2 H 8.404 2.155 -0.603 1.00 . A A . 13 ASP HB2 1 1 7 2970 1 1 13 ASP HB3 H 8.015 1.799 1.081 1.00 . A A . 13 ASP HB3 1 1 7 2971 1 1 13 ASP N N 9.604 0.103 -0.694 1.00 . A A . 13 ASP N 1 1 7 2972 1 1 13 ASP O O 10.358 0.814 2.779 1.00 . A A . 13 ASP O 1 1 7 2973 1 1 13 ASP OD1 O 9.835 4.165 -0.044 1.00 . A A . 13 ASP OD1 1 1 7 2974 1 1 13 ASP OD2 O 9.327 3.737 2.006 1.00 . A A . 13 ASP OD2 1 1 7 2975 1 1 14 GLY C C 8.254 -1.101 4.009 1.00 . A A . 14 GLY C 1 1 7 2976 1 1 14 GLY CA C 9.343 -1.678 3.096 1.00 . A A . 14 GLY CA 1 1 7 2977 1 1 14 GLY H H 9.020 -1.316 1.000 1.00 . A A . 14 GLY H 1 1 7 2978 1 1 14 GLY HA2 H 9.127 -2.715 2.888 1.00 . A A . 14 GLY HA2 1 1 7 2979 1 1 14 GLY HA3 H 10.299 -1.602 3.593 1.00 . A A . 14 GLY HA3 1 1 7 2980 1 1 14 GLY N N 9.387 -0.914 1.814 1.00 . A A . 14 GLY N 1 1 7 2981 1 1 14 GLY O O 8.258 -1.332 5.204 1.00 . A A . 14 GLY O 1 1 7 2982 1 1 15 VAL C C 4.865 -0.030 3.685 1.00 . A A . 15 VAL C 1 1 7 2983 1 1 15 VAL CA C 6.241 0.235 4.313 1.00 . A A . 15 VAL CA 1 1 7 2984 1 1 15 VAL CB C 6.538 1.741 4.363 1.00 . A A . 15 VAL CB 1 1 7 2985 1 1 15 VAL CG1 C 5.322 2.494 4.921 1.00 . A A . 15 VAL CG1 1 1 7 2986 1 1 15 VAL CG2 C 7.748 1.992 5.270 1.00 . A A . 15 VAL CG2 1 1 7 2987 1 1 15 VAL H H 7.334 -0.176 2.496 1.00 . A A . 15 VAL H 1 1 7 2988 1 1 15 VAL HA H 6.284 -0.178 5.307 1.00 . A A . 15 VAL HA 1 1 7 2989 1 1 15 VAL HB H 6.753 2.098 3.365 1.00 . A A . 15 VAL HB 1 1 7 2990 1 1 15 VAL HG11 H 4.833 1.888 5.670 1.00 . A A . 15 VAL HG11 1 1 7 2991 1 1 15 VAL HG12 H 5.647 3.423 5.367 1.00 . A A . 15 VAL HG12 1 1 7 2992 1 1 15 VAL HG13 H 4.628 2.704 4.120 1.00 . A A . 15 VAL HG13 1 1 7 2993 1 1 15 VAL HG21 H 7.489 2.723 6.023 1.00 . A A . 15 VAL HG21 1 1 7 2994 1 1 15 VAL HG22 H 8.037 1.068 5.751 1.00 . A A . 15 VAL HG22 1 1 7 2995 1 1 15 VAL HG23 H 8.571 2.361 4.678 1.00 . A A . 15 VAL HG23 1 1 7 2996 1 1 15 VAL N N 7.322 -0.352 3.463 1.00 . A A . 15 VAL N 1 1 7 2997 1 1 15 VAL O O 4.543 0.516 2.648 1.00 . A A . 15 VAL O 1 1 7 2998 1 1 16 PRO C C 1.764 -0.037 4.211 1.00 . A A . 16 PRO C 1 1 7 2999 1 1 16 PRO CA C 2.725 -1.185 3.868 1.00 . A A . 16 PRO CA 1 1 7 3000 1 1 16 PRO CB C 2.355 -2.428 4.671 1.00 . A A . 16 PRO CB 1 1 7 3001 1 1 16 PRO CD C 4.420 -1.564 5.597 1.00 . A A . 16 PRO CD 1 1 7 3002 1 1 16 PRO CG C 3.169 -2.339 5.924 1.00 . A A . 16 PRO CG 1 1 7 3003 1 1 16 PRO HA H 2.723 -1.400 2.812 1.00 . A A . 16 PRO HA 1 1 7 3004 1 1 16 PRO HB2 H 1.299 -2.421 4.905 1.00 . A A . 16 PRO HB2 1 1 7 3005 1 1 16 PRO HB3 H 2.615 -3.320 4.124 1.00 . A A . 16 PRO HB3 1 1 7 3006 1 1 16 PRO HD2 H 4.644 -0.861 6.388 1.00 . A A . 16 PRO HD2 1 1 7 3007 1 1 16 PRO HD3 H 5.249 -2.235 5.437 1.00 . A A . 16 PRO HD3 1 1 7 3008 1 1 16 PRO HG2 H 2.605 -1.822 6.689 1.00 . A A . 16 PRO HG2 1 1 7 3009 1 1 16 PRO HG3 H 3.433 -3.326 6.265 1.00 . A A . 16 PRO HG3 1 1 7 3010 1 1 16 PRO N N 4.093 -0.856 4.351 1.00 . A A . 16 PRO N 1 1 7 3011 1 1 16 PRO O O 2.142 0.923 4.856 1.00 . A A . 16 PRO O 1 1 7 3012 1 1 17 CYS C C -0.729 0.901 5.668 1.00 . A A . 17 CYS C 1 1 7 3013 1 1 17 CYS CA C -0.456 0.936 4.160 1.00 . A A . 17 CYS CA 1 1 7 3014 1 1 17 CYS CB C -1.722 0.614 3.363 1.00 . A A . 17 CYS CB 1 1 7 3015 1 1 17 CYS H H 0.224 -0.931 3.314 1.00 . A A . 17 CYS H 1 1 7 3016 1 1 17 CYS HA H -0.071 1.900 3.871 1.00 . A A . 17 CYS HA 1 1 7 3017 1 1 17 CYS HB2 H -1.666 -0.398 2.988 1.00 . A A . 17 CYS HB2 1 1 7 3018 1 1 17 CYS HB3 H -2.587 0.713 4.002 1.00 . A A . 17 CYS HB3 1 1 7 3019 1 1 17 CYS N N 0.520 -0.141 3.815 1.00 . A A . 17 CYS N 1 1 7 3020 1 1 17 CYS O O -0.374 -0.051 6.340 1.00 . A A . 17 CYS O 1 1 7 3021 1 1 17 CYS SG S -1.861 1.768 1.976 1.00 . A A . 17 CYS SG 1 1 7 3022 1 1 18 CYS C C -2.424 0.695 8.101 1.00 . A A . 18 CYS C 1 1 7 3023 1 1 18 CYS CA C -1.604 1.929 7.687 1.00 . A A . 18 CYS CA 1 1 7 3024 1 1 18 CYS CB C -2.366 3.223 7.965 1.00 . A A . 18 CYS CB 1 1 7 3025 1 1 18 CYS H H -1.604 2.693 5.654 1.00 . A A . 18 CYS H 1 1 7 3026 1 1 18 CYS HA H -0.668 1.939 8.227 1.00 . A A . 18 CYS HA 1 1 7 3027 1 1 18 CYS HB2 H -2.525 3.757 7.039 1.00 . A A . 18 CYS HB2 1 1 7 3028 1 1 18 CYS HB3 H -3.316 2.995 8.419 1.00 . A A . 18 CYS HB3 1 1 7 3029 1 1 18 CYS N N -1.336 1.925 6.211 1.00 . A A . 18 CYS N 1 1 7 3030 1 1 18 CYS O O -2.979 0.003 7.273 1.00 . A A . 18 CYS O 1 1 7 3031 1 1 18 CYS SG S -1.385 4.246 9.091 1.00 . A A . 18 CYS SG 1 1 7 3032 1 1 19 GLU C C -4.648 -0.878 9.315 1.00 . A A . 19 GLU C 1 1 7 3033 1 1 19 GLU CA C -3.224 -0.795 9.881 1.00 . A A . 19 GLU CA 1 1 7 3034 1 1 19 GLU CB C -3.261 -0.647 11.403 1.00 . A A . 19 GLU CB 1 1 7 3035 1 1 19 GLU CD C -1.722 -0.529 13.368 1.00 . A A . 19 GLU CD 1 1 7 3036 1 1 19 GLU CG C -1.956 -1.174 12.000 1.00 . A A . 19 GLU CG 1 1 7 3037 1 1 19 GLU H H -1.995 0.978 10.020 1.00 . A A . 19 GLU H 1 1 7 3038 1 1 19 GLU HA H -2.687 -1.688 9.620 1.00 . A A . 19 GLU HA 1 1 7 3039 1 1 19 GLU HB2 H -3.382 0.396 11.660 1.00 . A A . 19 GLU HB2 1 1 7 3040 1 1 19 GLU HB3 H -4.091 -1.213 11.800 1.00 . A A . 19 GLU HB3 1 1 7 3041 1 1 19 GLU HG2 H -2.018 -2.246 12.112 1.00 . A A . 19 GLU HG2 1 1 7 3042 1 1 19 GLU HG3 H -1.134 -0.929 11.344 1.00 . A A . 19 GLU HG3 1 1 7 3043 1 1 19 GLU N N -2.473 0.408 9.382 1.00 . A A . 19 GLU N 1 1 7 3044 1 1 19 GLU O O -5.029 -1.911 8.794 1.00 . A A . 19 GLU O 1 1 7 3045 1 1 19 GLU OE1 O -2.181 -1.087 14.351 1.00 . A A . 19 GLU OE1 1 1 7 3046 1 1 19 GLU OE2 O -1.084 0.512 13.409 1.00 . A A . 19 GLU OE2 1 1 7 3047 1 1 20 PRO C C -6.817 0.112 7.357 1.00 . A A . 20 PRO C 1 1 7 3048 1 1 20 PRO CA C -6.791 0.198 8.896 1.00 . A A . 20 PRO CA 1 1 7 3049 1 1 20 PRO CB C -7.355 1.533 9.380 1.00 . A A . 20 PRO CB 1 1 7 3050 1 1 20 PRO CD C -5.044 1.492 10.026 1.00 . A A . 20 PRO CD 1 1 7 3051 1 1 20 PRO CG C -6.157 2.400 9.584 1.00 . A A . 20 PRO CG 1 1 7 3052 1 1 20 PRO HA H -7.356 -0.614 9.327 1.00 . A A . 20 PRO HA 1 1 7 3053 1 1 20 PRO HB2 H -8.010 1.958 8.632 1.00 . A A . 20 PRO HB2 1 1 7 3054 1 1 20 PRO HB3 H -7.880 1.404 10.314 1.00 . A A . 20 PRO HB3 1 1 7 3055 1 1 20 PRO HD2 H -4.095 1.847 9.650 1.00 . A A . 20 PRO HD2 1 1 7 3056 1 1 20 PRO HD3 H -5.024 1.409 11.101 1.00 . A A . 20 PRO HD3 1 1 7 3057 1 1 20 PRO HG2 H -5.893 2.889 8.656 1.00 . A A . 20 PRO HG2 1 1 7 3058 1 1 20 PRO HG3 H -6.354 3.133 10.349 1.00 . A A . 20 PRO HG3 1 1 7 3059 1 1 20 PRO N N -5.398 0.196 9.422 1.00 . A A . 20 PRO N 1 1 7 3060 1 1 20 PRO O O -7.875 0.114 6.757 1.00 . A A . 20 PRO O 1 1 7 3061 1 1 21 TYR C C -4.689 -1.161 4.762 1.00 . A A . 21 TYR C 1 1 7 3062 1 1 21 TYR CA C -5.647 -0.053 5.219 1.00 . A A . 21 TYR CA 1 1 7 3063 1 1 21 TYR CB C -5.149 1.320 4.738 1.00 . A A . 21 TYR CB 1 1 7 3064 1 1 21 TYR CD1 C -7.372 2.429 5.195 1.00 . A A . 21 TYR CD1 1 1 7 3065 1 1 21 TYR CD2 C -5.362 3.421 6.122 1.00 . A A . 21 TYR CD2 1 1 7 3066 1 1 21 TYR CE1 C -8.143 3.440 5.780 1.00 . A A . 21 TYR CE1 1 1 7 3067 1 1 21 TYR CE2 C -6.133 4.433 6.707 1.00 . A A . 21 TYR CE2 1 1 7 3068 1 1 21 TYR CG C -5.982 2.419 5.365 1.00 . A A . 21 TYR CG 1 1 7 3069 1 1 21 TYR CZ C -7.524 4.443 6.537 1.00 . A A . 21 TYR CZ 1 1 7 3070 1 1 21 TYR H H -4.822 0.027 7.212 1.00 . A A . 21 TYR H 1 1 7 3071 1 1 21 TYR HA H -6.640 -0.235 4.837 1.00 . A A . 21 TYR HA 1 1 7 3072 1 1 21 TYR HB2 H -4.114 1.447 5.021 1.00 . A A . 21 TYR HB2 1 1 7 3073 1 1 21 TYR HB3 H -5.235 1.376 3.663 1.00 . A A . 21 TYR HB3 1 1 7 3074 1 1 21 TYR HD1 H -7.849 1.656 4.611 1.00 . A A . 21 TYR HD1 1 1 7 3075 1 1 21 TYR HD2 H -4.290 3.415 6.253 1.00 . A A . 21 TYR HD2 1 1 7 3076 1 1 21 TYR HE1 H -9.214 3.447 5.648 1.00 . A A . 21 TYR HE1 1 1 7 3077 1 1 21 TYR HE2 H -5.655 5.207 7.290 1.00 . A A . 21 TYR HE2 1 1 7 3078 1 1 21 TYR HH H -8.819 5.047 7.806 1.00 . A A . 21 TYR HH 1 1 7 3079 1 1 21 TYR N N -5.670 0.032 6.713 1.00 . A A . 21 TYR N 1 1 7 3080 1 1 21 TYR O O -3.876 -1.647 5.524 1.00 . A A . 21 TYR O 1 1 7 3081 1 1 21 TYR OH O -8.283 5.443 7.113 1.00 . A A . 21 TYR OH 1 1 7 3082 1 1 22 THR C C -3.566 -2.388 1.517 1.00 . A A . 22 THR C 1 1 7 3083 1 1 22 THR CA C -3.869 -2.632 2.996 1.00 . A A . 22 THR CA 1 1 7 3084 1 1 22 THR CB C -4.620 -3.959 3.174 1.00 . A A . 22 THR CB 1 1 7 3085 1 1 22 THR CG2 C -4.292 -4.557 4.546 1.00 . A A . 22 THR CG2 1 1 7 3086 1 1 22 THR H H -5.438 -1.148 2.920 1.00 . A A . 22 THR H 1 1 7 3087 1 1 22 THR HA H -2.951 -2.651 3.564 1.00 . A A . 22 THR HA 1 1 7 3088 1 1 22 THR HB H -4.301 -4.647 2.407 1.00 . A A . 22 THR HB 1 1 7 3089 1 1 22 THR HG1 H -6.357 -3.458 3.914 1.00 . A A . 22 THR HG1 1 1 7 3090 1 1 22 THR HG21 H -4.754 -5.529 4.634 1.00 . A A . 22 THR HG21 1 1 7 3091 1 1 22 THR HG22 H -3.220 -4.658 4.647 1.00 . A A . 22 THR HG22 1 1 7 3092 1 1 22 THR HG23 H -4.668 -3.908 5.322 1.00 . A A . 22 THR HG23 1 1 7 3093 1 1 22 THR N N -4.776 -1.558 3.517 1.00 . A A . 22 THR N 1 1 7 3094 1 1 22 THR O O -4.333 -1.755 0.815 1.00 . A A . 22 THR O 1 1 7 3095 1 1 22 THR OG1 O -6.026 -3.750 3.061 1.00 . A A . 22 THR OG1 1 1 7 3096 1 1 23 CYS C C -2.514 -3.899 -1.230 1.00 . A A . 23 CYS C 1 1 7 3097 1 1 23 CYS CA C -2.099 -2.683 -0.397 1.00 . A A . 23 CYS CA 1 1 7 3098 1 1 23 CYS CB C -0.579 -2.511 -0.412 1.00 . A A . 23 CYS CB 1 1 7 3099 1 1 23 CYS H H -1.859 -3.397 1.626 1.00 . A A . 23 CYS H 1 1 7 3100 1 1 23 CYS HA H -2.571 -1.791 -0.778 1.00 . A A . 23 CYS HA 1 1 7 3101 1 1 23 CYS HB2 H -0.288 -1.811 0.358 1.00 . A A . 23 CYS HB2 1 1 7 3102 1 1 23 CYS HB3 H -0.107 -3.465 -0.231 1.00 . A A . 23 CYS HB3 1 1 7 3103 1 1 23 CYS N N -2.456 -2.886 1.039 1.00 . A A . 23 CYS N 1 1 7 3104 1 1 23 CYS O O -2.187 -5.026 -0.905 1.00 . A A . 23 CYS O 1 1 7 3105 1 1 23 CYS SG S -0.060 -1.880 -2.028 1.00 . A A . 23 CYS SG 1 1 7 3106 1 1 24 THR C C -2.464 -5.557 -3.744 1.00 . A A . 24 THR C 1 1 7 3107 1 1 24 THR CA C -3.675 -4.810 -3.176 1.00 . A A . 24 THR CA 1 1 7 3108 1 1 24 THR CB C -4.485 -4.169 -4.313 1.00 . A A . 24 THR CB 1 1 7 3109 1 1 24 THR CG2 C -5.849 -3.716 -3.788 1.00 . A A . 24 THR CG2 1 1 7 3110 1 1 24 THR H H -3.474 -2.753 -2.541 1.00 . A A . 24 THR H 1 1 7 3111 1 1 24 THR HA H -4.299 -5.484 -2.617 1.00 . A A . 24 THR HA 1 1 7 3112 1 1 24 THR HB H -4.632 -4.894 -5.097 1.00 . A A . 24 THR HB 1 1 7 3113 1 1 24 THR HG1 H -3.449 -3.286 -5.705 1.00 . A A . 24 THR HG1 1 1 7 3114 1 1 24 THR HG21 H -6.510 -4.567 -3.722 1.00 . A A . 24 THR HG21 1 1 7 3115 1 1 24 THR HG22 H -5.731 -3.274 -2.810 1.00 . A A . 24 THR HG22 1 1 7 3116 1 1 24 THR HG23 H -6.270 -2.986 -4.464 1.00 . A A . 24 THR HG23 1 1 7 3117 1 1 24 THR N N -3.230 -3.673 -2.305 1.00 . A A . 24 THR N 1 1 7 3118 1 1 24 THR O O -2.431 -6.772 -3.767 1.00 . A A . 24 THR O 1 1 7 3119 1 1 24 THR OG1 O -3.779 -3.050 -4.835 1.00 . A A . 24 THR OG1 1 1 7 3120 1 1 25 SER C C 0.966 -5.212 -3.883 1.00 . A A . 25 SER C 1 1 7 3121 1 1 25 SER CA C -0.257 -5.490 -4.768 1.00 . A A . 25 SER CA 1 1 7 3122 1 1 25 SER CB C -0.079 -4.855 -6.148 1.00 . A A . 25 SER CB 1 1 7 3123 1 1 25 SER H H -1.529 -3.858 -4.165 1.00 . A A . 25 SER H 1 1 7 3124 1 1 25 SER HA H -0.414 -6.553 -4.869 1.00 . A A . 25 SER HA 1 1 7 3125 1 1 25 SER HB2 H -1.017 -4.447 -6.485 1.00 . A A . 25 SER HB2 1 1 7 3126 1 1 25 SER HB3 H 0.652 -4.061 -6.084 1.00 . A A . 25 SER HB3 1 1 7 3127 1 1 25 SER HG H -0.370 -6.046 -7.661 1.00 . A A . 25 SER HG 1 1 7 3128 1 1 25 SER N N -1.472 -4.835 -4.198 1.00 . A A . 25 SER N 1 1 7 3129 1 1 25 SER O O 0.867 -4.567 -2.856 1.00 . A A . 25 SER O 1 1 7 3130 1 1 25 SER OG O 0.359 -5.847 -7.069 1.00 . A A . 25 SER OG 1 1 7 3131 1 1 26 ASP C C 4.283 -4.460 -4.182 1.00 . A A . 26 ASP C 1 1 7 3132 1 1 26 ASP CA C 3.356 -5.460 -3.471 1.00 . A A . 26 ASP CA 1 1 7 3133 1 1 26 ASP CB C 4.020 -6.838 -3.350 1.00 . A A . 26 ASP CB 1 1 7 3134 1 1 26 ASP CG C 4.616 -7.264 -4.699 1.00 . A A . 26 ASP CG 1 1 7 3135 1 1 26 ASP H H 2.169 -6.206 -5.113 1.00 . A A . 26 ASP H 1 1 7 3136 1 1 26 ASP HA H 3.098 -5.092 -2.490 1.00 . A A . 26 ASP HA 1 1 7 3137 1 1 26 ASP HB2 H 4.804 -6.790 -2.609 1.00 . A A . 26 ASP HB2 1 1 7 3138 1 1 26 ASP HB3 H 3.283 -7.564 -3.041 1.00 . A A . 26 ASP HB3 1 1 7 3139 1 1 26 ASP N N 2.117 -5.692 -4.279 1.00 . A A . 26 ASP N 1 1 7 3140 1 1 26 ASP O O 4.995 -3.706 -3.547 1.00 . A A . 26 ASP O 1 1 7 3141 1 1 26 ASP OD1 O 3.849 -7.632 -5.575 1.00 . A A . 26 ASP OD1 1 1 7 3142 1 1 26 ASP OD2 O 5.827 -7.215 -4.832 1.00 . A A . 26 ASP OD2 1 1 7 3143 1 1 27 TYR C C 4.391 -2.206 -6.530 1.00 . A A . 27 TYR C 1 1 7 3144 1 1 27 TYR CA C 5.154 -3.500 -6.243 1.00 . A A . 27 TYR CA 1 1 7 3145 1 1 27 TYR CB C 5.506 -4.221 -7.550 1.00 . A A . 27 TYR CB 1 1 7 3146 1 1 27 TYR CD1 C 7.949 -4.369 -6.922 1.00 . A A . 27 TYR CD1 1 1 7 3147 1 1 27 TYR CD2 C 6.814 -6.374 -7.682 1.00 . A A . 27 TYR CD2 1 1 7 3148 1 1 27 TYR CE1 C 9.135 -5.098 -6.771 1.00 . A A . 27 TYR CE1 1 1 7 3149 1 1 27 TYR CE2 C 8.000 -7.102 -7.532 1.00 . A A . 27 TYR CE2 1 1 7 3150 1 1 27 TYR CG C 6.787 -5.007 -7.377 1.00 . A A . 27 TYR CG 1 1 7 3151 1 1 27 TYR CZ C 9.160 -6.464 -7.076 1.00 . A A . 27 TYR CZ 1 1 7 3152 1 1 27 TYR H H 3.693 -5.063 -5.986 1.00 . A A . 27 TYR H 1 1 7 3153 1 1 27 TYR HA H 6.048 -3.292 -5.682 1.00 . A A . 27 TYR HA 1 1 7 3154 1 1 27 TYR HB2 H 4.705 -4.895 -7.816 1.00 . A A . 27 TYR HB2 1 1 7 3155 1 1 27 TYR HB3 H 5.637 -3.493 -8.337 1.00 . A A . 27 TYR HB3 1 1 7 3156 1 1 27 TYR HD1 H 7.929 -3.315 -6.686 1.00 . A A . 27 TYR HD1 1 1 7 3157 1 1 27 TYR HD2 H 5.919 -6.867 -8.032 1.00 . A A . 27 TYR HD2 1 1 7 3158 1 1 27 TYR HE1 H 10.029 -4.606 -6.420 1.00 . A A . 27 TYR HE1 1 1 7 3159 1 1 27 TYR HE2 H 8.020 -8.155 -7.768 1.00 . A A . 27 TYR HE2 1 1 7 3160 1 1 27 TYR HH H 10.387 -7.475 -6.018 1.00 . A A . 27 TYR HH 1 1 7 3161 1 1 27 TYR N N 4.277 -4.448 -5.494 1.00 . A A . 27 TYR N 1 1 7 3162 1 1 27 TYR O O 4.877 -1.120 -6.278 1.00 . A A . 27 TYR O 1 1 7 3163 1 1 27 TYR OH O 10.330 -7.182 -6.930 1.00 . A A . 27 TYR OH 1 1 7 3164 1 1 28 TYR C C 0.889 -1.405 -7.152 1.00 . A A . 28 TYR C 1 1 7 3165 1 1 28 TYR CA C 2.383 -1.106 -7.355 1.00 . A A . 28 TYR CA 1 1 7 3166 1 1 28 TYR CB C 2.694 -0.760 -8.822 1.00 . A A . 28 TYR CB 1 1 7 3167 1 1 28 TYR CD1 C 2.590 -3.032 -9.924 1.00 . A A . 28 TYR CD1 1 1 7 3168 1 1 28 TYR CD2 C 0.871 -1.403 -10.451 1.00 . A A . 28 TYR CD2 1 1 7 3169 1 1 28 TYR CE1 C 1.979 -3.954 -10.781 1.00 . A A . 28 TYR CE1 1 1 7 3170 1 1 28 TYR CE2 C 0.262 -2.325 -11.311 1.00 . A A . 28 TYR CE2 1 1 7 3171 1 1 28 TYR CG C 2.037 -1.757 -9.757 1.00 . A A . 28 TYR CG 1 1 7 3172 1 1 28 TYR CZ C 0.816 -3.601 -11.474 1.00 . A A . 28 TYR CZ 1 1 7 3173 1 1 28 TYR H H 2.835 -3.210 -7.236 1.00 . A A . 28 TYR H 1 1 7 3174 1 1 28 TYR HA H 2.686 -0.289 -6.717 1.00 . A A . 28 TYR HA 1 1 7 3175 1 1 28 TYR HB2 H 2.322 0.231 -9.039 1.00 . A A . 28 TYR HB2 1 1 7 3176 1 1 28 TYR HB3 H 3.764 -0.778 -8.974 1.00 . A A . 28 TYR HB3 1 1 7 3177 1 1 28 TYR HD1 H 3.487 -3.306 -9.390 1.00 . A A . 28 TYR HD1 1 1 7 3178 1 1 28 TYR HD2 H 0.445 -0.419 -10.325 1.00 . A A . 28 TYR HD2 1 1 7 3179 1 1 28 TYR HE1 H 2.407 -4.937 -10.910 1.00 . A A . 28 TYR HE1 1 1 7 3180 1 1 28 TYR HE2 H -0.636 -2.054 -11.847 1.00 . A A . 28 TYR HE2 1 1 7 3181 1 1 28 TYR HH H -0.418 -5.022 -11.801 1.00 . A A . 28 TYR HH 1 1 7 3182 1 1 28 TYR N N 3.197 -2.320 -7.051 1.00 . A A . 28 TYR N 1 1 7 3183 1 1 28 TYR O O 0.369 -2.386 -7.648 1.00 . A A . 28 TYR O 1 1 7 3184 1 1 28 TYR OH O 0.214 -4.513 -12.317 1.00 . A A . 28 TYR OH 1 1 7 3185 1 1 29 GLY C C -1.821 0.339 -5.316 1.00 . A A . 29 GLY C 1 1 7 3186 1 1 29 GLY CA C -1.253 -0.797 -6.172 1.00 . A A . 29 GLY CA 1 1 7 3187 1 1 29 GLY H H 0.649 0.213 -6.022 1.00 . A A . 29 GLY H 1 1 7 3188 1 1 29 GLY HA2 H -1.773 -0.830 -7.119 1.00 . A A . 29 GLY HA2 1 1 7 3189 1 1 29 GLY HA3 H -1.386 -1.734 -5.655 1.00 . A A . 29 GLY HA3 1 1 7 3190 1 1 29 GLY N N 0.204 -0.567 -6.417 1.00 . A A . 29 GLY N 1 1 7 3191 1 1 29 GLY O O -1.202 1.373 -5.156 1.00 . A A . 29 GLY O 1 1 7 3192 1 1 30 ASN C C -4.366 0.611 -2.735 1.00 . A A . 30 ASN C 1 1 7 3193 1 1 30 ASN CA C -3.609 1.226 -3.919 1.00 . A A . 30 ASN CA 1 1 7 3194 1 1 30 ASN CB C -4.580 1.965 -4.846 1.00 . A A . 30 ASN CB 1 1 7 3195 1 1 30 ASN CG C -4.036 3.363 -5.153 1.00 . A A . 30 ASN CG 1 1 7 3196 1 1 30 ASN H H -3.477 -0.688 -4.911 1.00 . A A . 30 ASN H 1 1 7 3197 1 1 30 ASN HA H -2.850 1.906 -3.566 1.00 . A A . 30 ASN HA 1 1 7 3198 1 1 30 ASN HB2 H -4.692 1.411 -5.767 1.00 . A A . 30 ASN HB2 1 1 7 3199 1 1 30 ASN HB3 H -5.542 2.055 -4.361 1.00 . A A . 30 ASN HB3 1 1 7 3200 1 1 30 ASN HD21 H -5.379 4.291 -4.021 1.00 . A A . 30 ASN HD21 1 1 7 3201 1 1 30 ASN HD22 H -4.264 5.303 -4.806 1.00 . A A . 30 ASN HD22 1 1 7 3202 1 1 30 ASN N N -2.996 0.155 -4.766 1.00 . A A . 30 ASN N 1 1 7 3203 1 1 30 ASN ND2 N -4.608 4.405 -4.615 1.00 . A A . 30 ASN ND2 1 1 7 3204 1 1 30 ASN O O -4.718 -0.555 -2.749 1.00 . A A . 30 ASN O 1 1 7 3205 1 1 30 ASN OD1 O -3.081 3.508 -5.889 1.00 . A A . 30 ASN OD1 1 1 7 3206 1 1 31 CYS C C -6.778 1.448 -0.487 1.00 . A A . 31 CYS C 1 1 7 3207 1 1 31 CYS CA C -5.360 0.863 -0.524 1.00 . A A . 31 CYS CA 1 1 7 3208 1 1 31 CYS CB C -4.552 1.331 0.688 1.00 . A A . 31 CYS CB 1 1 7 3209 1 1 31 CYS H H -4.330 2.327 -1.729 1.00 . A A . 31 CYS H 1 1 7 3210 1 1 31 CYS HA H -5.397 -0.214 -0.550 1.00 . A A . 31 CYS HA 1 1 7 3211 1 1 31 CYS HB2 H -4.547 2.411 0.722 1.00 . A A . 31 CYS HB2 1 1 7 3212 1 1 31 CYS HB3 H -5.003 0.945 1.591 1.00 . A A . 31 CYS HB3 1 1 7 3213 1 1 31 CYS N N -4.621 1.391 -1.713 1.00 . A A . 31 CYS N 1 1 7 3214 1 1 31 CYS O O -7.050 2.471 -1.084 1.00 . A A . 31 CYS O 1 1 7 3215 1 1 31 CYS SG S -2.851 0.727 0.560 1.00 . A A . 31 CYS SG 1 1 7 3216 1 1 32 SER C C -9.880 0.569 1.364 1.00 . A A . 32 SER C 1 1 7 3217 1 1 32 SER CA C -9.086 1.321 0.284 1.00 . A A . 32 SER CA 1 1 7 3218 1 1 32 SER CB C -9.685 1.071 -1.106 1.00 . A A . 32 SER CB 1 1 7 3219 1 1 32 SER H H -7.440 -0.021 0.681 1.00 . A A . 32 SER H 1 1 7 3220 1 1 32 SER HA H -9.083 2.381 0.495 1.00 . A A . 32 SER HA 1 1 7 3221 1 1 32 SER HB2 H -10.754 1.197 -1.068 1.00 . A A . 32 SER HB2 1 1 7 3222 1 1 32 SER HB3 H -9.269 1.783 -1.807 1.00 . A A . 32 SER HB3 1 1 7 3223 1 1 32 SER HG H -10.215 -0.730 -1.623 1.00 . A A . 32 SER HG 1 1 7 3224 1 1 32 SER N N -7.682 0.804 0.209 1.00 . A A . 32 SER N 1 1 7 3225 1 1 32 SER O O -9.827 -0.652 1.376 1.00 . A A . 32 SER O 1 1 7 3226 1 1 32 SER OXT O -10.525 1.230 2.161 1.00 . A A . 32 SER OXT 1 1 7 3227 1 1 32 SER OG O -9.386 -0.257 -1.526 1.00 . A A . 32 SER OG 1 1 8 3228 1 1 1 CYS C C 1.771 4.770 5.888 1.00 . A A . 1 CYS C 1 1 8 3229 1 1 1 CYS CA C 2.284 3.948 7.078 1.00 . A A . 1 CYS CA 1 1 8 3230 1 1 1 CYS CB C 1.123 3.328 7.855 1.00 . A A . 1 CYS CB 1 1 8 3231 1 1 1 CYS H1 H 3.269 5.704 7.601 1.00 . A A . 1 CYS H1 1 1 8 3232 1 1 1 CYS H2 H 2.384 5.020 8.857 1.00 . A A . 1 CYS H2 1 1 8 3233 1 1 1 CYS H3 H 2.839 6.108 5.218 1.00 . A A . 1 CYS H3 1 1 8 3234 1 1 1 CYS HA H 2.934 3.167 6.729 1.00 . A A . 1 CYS HA 1 1 8 3235 1 1 1 CYS HB2 H 0.542 2.715 7.184 1.00 . A A . 1 CYS HB2 1 1 8 3236 1 1 1 CYS HB3 H 1.514 2.715 8.653 1.00 . A A . 1 CYS HB3 1 1 8 3237 1 1 1 CYS N N 3.002 4.820 8.058 1.00 . A A . 1 CYS N 1 1 8 3238 1 1 1 CYS O O 2.001 5.963 5.798 1.00 . A A . 1 CYS O 1 1 8 3239 1 1 1 CYS SG S 0.070 4.628 8.551 1.00 . A A . 1 CYS SG 1 1 8 3240 1 1 2 ILE C C -0.926 5.200 3.958 1.00 . A A . 2 ILE C 1 1 8 3241 1 1 2 ILE CA C 0.559 4.864 3.776 1.00 . A A . 2 ILE CA 1 1 8 3242 1 1 2 ILE CB C 0.764 3.892 2.604 1.00 . A A . 2 ILE CB 1 1 8 3243 1 1 2 ILE CD1 C 3.224 3.447 2.529 1.00 . A A . 2 ILE CD1 1 1 8 3244 1 1 2 ILE CG1 C 2.076 4.229 1.889 1.00 . A A . 2 ILE CG1 1 1 8 3245 1 1 2 ILE CG2 C -0.393 4.007 1.606 1.00 . A A . 2 ILE CG2 1 1 8 3246 1 1 2 ILE H H 0.919 3.173 5.065 1.00 . A A . 2 ILE H 1 1 8 3247 1 1 2 ILE HA H 1.129 5.764 3.607 1.00 . A A . 2 ILE HA 1 1 8 3248 1 1 2 ILE HB H 0.808 2.882 2.983 1.00 . A A . 2 ILE HB 1 1 8 3249 1 1 2 ILE HD11 H 3.593 3.989 3.386 1.00 . A A . 2 ILE HD11 1 1 8 3250 1 1 2 ILE HD12 H 2.868 2.476 2.841 1.00 . A A . 2 ILE HD12 1 1 8 3251 1 1 2 ILE HD13 H 4.021 3.325 1.809 1.00 . A A . 2 ILE HD13 1 1 8 3252 1 1 2 ILE HG12 H 1.994 3.962 0.844 1.00 . A A . 2 ILE HG12 1 1 8 3253 1 1 2 ILE HG13 H 2.271 5.287 1.974 1.00 . A A . 2 ILE HG13 1 1 8 3254 1 1 2 ILE HG21 H -0.619 5.049 1.436 1.00 . A A . 2 ILE HG21 1 1 8 3255 1 1 2 ILE HG22 H -0.112 3.541 0.672 1.00 . A A . 2 ILE HG22 1 1 8 3256 1 1 2 ILE HG23 H -1.264 3.513 2.008 1.00 . A A . 2 ILE HG23 1 1 8 3257 1 1 2 ILE N N 1.084 4.134 4.970 1.00 . A A . 2 ILE N 1 1 8 3258 1 1 2 ILE O O -1.678 4.416 4.505 1.00 . A A . 2 ILE O 1 1 8 3259 1 1 3 PRO C C -3.601 5.969 2.629 1.00 . A A . 3 PRO C 1 1 8 3260 1 1 3 PRO CA C -2.715 6.805 3.561 1.00 . A A . 3 PRO CA 1 1 8 3261 1 1 3 PRO CB C -2.659 8.261 3.099 1.00 . A A . 3 PRO CB 1 1 8 3262 1 1 3 PRO CD C -0.455 7.348 2.789 1.00 . A A . 3 PRO CD 1 1 8 3263 1 1 3 PRO CG C -1.439 8.347 2.241 1.00 . A A . 3 PRO CG 1 1 8 3264 1 1 3 PRO HA H -3.068 6.752 4.578 1.00 . A A . 3 PRO HA 1 1 8 3265 1 1 3 PRO HB2 H -3.543 8.507 2.526 1.00 . A A . 3 PRO HB2 1 1 8 3266 1 1 3 PRO HB3 H -2.562 8.921 3.945 1.00 . A A . 3 PRO HB3 1 1 8 3267 1 1 3 PRO HD2 H 0.103 6.888 1.983 1.00 . A A . 3 PRO HD2 1 1 8 3268 1 1 3 PRO HD3 H 0.210 7.817 3.495 1.00 . A A . 3 PRO HD3 1 1 8 3269 1 1 3 PRO HG2 H -1.690 8.100 1.220 1.00 . A A . 3 PRO HG2 1 1 8 3270 1 1 3 PRO HG3 H -1.018 9.339 2.292 1.00 . A A . 3 PRO HG3 1 1 8 3271 1 1 3 PRO N N -1.302 6.357 3.470 1.00 . A A . 3 PRO N 1 1 8 3272 1 1 3 PRO O O -3.174 5.539 1.575 1.00 . A A . 3 PRO O 1 1 8 3273 1 1 4 LYS C C -5.966 5.599 0.796 1.00 . A A . 4 LYS C 1 1 8 3274 1 1 4 LYS CA C -5.747 4.920 2.159 1.00 . A A . 4 LYS CA 1 1 8 3275 1 1 4 LYS CB C -7.065 4.839 2.945 1.00 . A A . 4 LYS CB 1 1 8 3276 1 1 4 LYS CD C -8.243 6.660 4.208 1.00 . A A . 4 LYS CD 1 1 8 3277 1 1 4 LYS CE C -7.915 8.152 4.333 1.00 . A A . 4 LYS CE 1 1 8 3278 1 1 4 LYS CG C -7.839 6.159 2.819 1.00 . A A . 4 LYS CG 1 1 8 3279 1 1 4 LYS H H -5.145 6.081 3.873 1.00 . A A . 4 LYS H 1 1 8 3280 1 1 4 LYS HA H -5.346 3.929 2.023 1.00 . A A . 4 LYS HA 1 1 8 3281 1 1 4 LYS HB2 H -7.667 4.033 2.550 1.00 . A A . 4 LYS HB2 1 1 8 3282 1 1 4 LYS HB3 H -6.851 4.649 3.986 1.00 . A A . 4 LYS HB3 1 1 8 3283 1 1 4 LYS HD2 H -9.303 6.511 4.350 1.00 . A A . 4 LYS HD2 1 1 8 3284 1 1 4 LYS HD3 H -7.698 6.112 4.962 1.00 . A A . 4 LYS HD3 1 1 8 3285 1 1 4 LYS HE2 H -7.870 8.439 5.375 1.00 . A A . 4 LYS HE2 1 1 8 3286 1 1 4 LYS HE3 H -6.980 8.375 3.841 1.00 . A A . 4 LYS HE3 1 1 8 3287 1 1 4 LYS HG2 H -7.214 6.898 2.339 1.00 . A A . 4 LYS HG2 1 1 8 3288 1 1 4 LYS HG3 H -8.726 6.000 2.226 1.00 . A A . 4 LYS HG3 1 1 8 3289 1 1 4 LYS HZ1 H -9.640 8.172 3.178 1.00 . A A . 4 LYS HZ1 1 1 8 3290 1 1 4 LYS HZ3 H -8.651 9.512 2.948 1.00 . A A . 4 LYS HZ3 1 1 8 3291 1 1 4 LYS N N -4.828 5.731 3.016 1.00 . A A . 4 LYS N 1 1 8 3292 1 1 4 LYS NZ N -9.034 8.860 3.647 1.00 . A A . 4 LYS NZ 1 1 8 3293 1 1 4 LYS O O -5.755 6.788 0.641 1.00 . A A . 4 LYS O 1 1 8 3294 1 1 5 TRP C C -5.438 6.166 -2.096 1.00 . A A . 5 TRP C 1 1 8 3295 1 1 5 TRP CA C -6.656 5.402 -1.551 1.00 . A A . 5 TRP CA 1 1 8 3296 1 1 5 TRP CB C -7.863 6.327 -1.381 1.00 . A A . 5 TRP CB 1 1 8 3297 1 1 5 TRP CD1 C -9.545 4.793 -0.301 1.00 . A A . 5 TRP CD1 1 1 8 3298 1 1 5 TRP CD2 C -10.034 5.229 -2.449 1.00 . A A . 5 TRP CD2 1 1 8 3299 1 1 5 TRP CE2 C -11.048 4.366 -1.970 1.00 . A A . 5 TRP CE2 1 1 8 3300 1 1 5 TRP CE3 C -10.104 5.657 -3.784 1.00 . A A . 5 TRP CE3 1 1 8 3301 1 1 5 TRP CG C -9.098 5.489 -1.367 1.00 . A A . 5 TRP CG 1 1 8 3302 1 1 5 TRP CH2 C -12.146 4.375 -4.116 1.00 . A A . 5 TRP CH2 1 1 8 3303 1 1 5 TRP CZ2 C -12.093 3.941 -2.789 1.00 . A A . 5 TRP CZ2 1 1 8 3304 1 1 5 TRP CZ3 C -11.154 5.231 -4.613 1.00 . A A . 5 TRP CZ3 1 1 8 3305 1 1 5 TRP H H -6.563 3.892 -0.018 1.00 . A A . 5 TRP H 1 1 8 3306 1 1 5 TRP HA H -6.920 4.603 -2.225 1.00 . A A . 5 TRP HA 1 1 8 3307 1 1 5 TRP HB2 H -7.779 6.870 -0.451 1.00 . A A . 5 TRP HB2 1 1 8 3308 1 1 5 TRP HB3 H -7.908 7.023 -2.206 1.00 . A A . 5 TRP HB3 1 1 8 3309 1 1 5 TRP HD1 H -9.072 4.764 0.667 1.00 . A A . 5 TRP HD1 1 1 8 3310 1 1 5 TRP HE1 H -11.233 3.555 -0.058 1.00 . A A . 5 TRP HE1 1 1 8 3311 1 1 5 TRP HE3 H -9.341 6.315 -4.175 1.00 . A A . 5 TRP HE3 1 1 8 3312 1 1 5 TRP HH2 H -12.951 4.050 -4.758 1.00 . A A . 5 TRP HH2 1 1 8 3313 1 1 5 TRP HZ2 H -12.855 3.282 -2.401 1.00 . A A . 5 TRP HZ2 1 1 8 3314 1 1 5 TRP HZ3 H -11.197 5.565 -5.640 1.00 . A A . 5 TRP HZ3 1 1 8 3315 1 1 5 TRP N N -6.397 4.841 -0.183 1.00 . A A . 5 TRP N 1 1 8 3316 1 1 5 TRP NE1 N -10.705 4.128 -0.653 1.00 . A A . 5 TRP NE1 1 1 8 3317 1 1 5 TRP O O -5.577 7.167 -2.775 1.00 . A A . 5 TRP O 1 1 8 3318 1 1 6 ASN C C -2.018 5.323 -2.816 1.00 . A A . 6 ASN C 1 1 8 3319 1 1 6 ASN CA C -3.022 6.379 -2.320 1.00 . A A . 6 ASN CA 1 1 8 3320 1 1 6 ASN CB C -2.490 7.157 -1.107 1.00 . A A . 6 ASN CB 1 1 8 3321 1 1 6 ASN CG C -0.991 7.418 -1.251 1.00 . A A . 6 ASN CG 1 1 8 3322 1 1 6 ASN H H -4.157 4.884 -1.271 1.00 . A A . 6 ASN H 1 1 8 3323 1 1 6 ASN HA H -3.273 7.062 -3.118 1.00 . A A . 6 ASN HA 1 1 8 3324 1 1 6 ASN HB2 H -3.009 8.101 -1.032 1.00 . A A . 6 ASN HB2 1 1 8 3325 1 1 6 ASN HB3 H -2.665 6.583 -0.212 1.00 . A A . 6 ASN HB3 1 1 8 3326 1 1 6 ASN HD21 H -0.487 5.782 -0.255 1.00 . A A . 6 ASN HD21 1 1 8 3327 1 1 6 ASN HD22 H 0.811 6.722 -0.808 1.00 . A A . 6 ASN HD22 1 1 8 3328 1 1 6 ASN N N -4.248 5.696 -1.814 1.00 . A A . 6 ASN N 1 1 8 3329 1 1 6 ASN ND2 N -0.152 6.570 -0.729 1.00 . A A . 6 ASN ND2 1 1 8 3330 1 1 6 ASN O O -2.122 4.157 -2.480 1.00 . A A . 6 ASN O 1 1 8 3331 1 1 6 ASN OD1 O -0.582 8.397 -1.842 1.00 . A A . 6 ASN OD1 1 1 8 3332 1 1 7 ARG C C 0.543 3.885 -3.031 1.00 . A A . 7 ARG C 1 1 8 3333 1 1 7 ARG CA C -0.057 4.740 -4.159 1.00 . A A . 7 ARG CA 1 1 8 3334 1 1 7 ARG CB C 1.028 5.593 -4.833 1.00 . A A . 7 ARG CB 1 1 8 3335 1 1 7 ARG CD C 2.488 7.595 -4.488 1.00 . A A . 7 ARG CD 1 1 8 3336 1 1 7 ARG CG C 1.768 6.437 -3.788 1.00 . A A . 7 ARG CG 1 1 8 3337 1 1 7 ARG CZ C 4.206 8.988 -3.492 1.00 . A A . 7 ARG CZ 1 1 8 3338 1 1 7 ARG H H -1.009 6.662 -3.887 1.00 . A A . 7 ARG H 1 1 8 3339 1 1 7 ARG HA H -0.523 4.103 -4.895 1.00 . A A . 7 ARG HA 1 1 8 3340 1 1 7 ARG HB2 H 1.733 4.945 -5.333 1.00 . A A . 7 ARG HB2 1 1 8 3341 1 1 7 ARG HB3 H 0.568 6.247 -5.559 1.00 . A A . 7 ARG HB3 1 1 8 3342 1 1 7 ARG HD2 H 2.700 7.335 -5.516 1.00 . A A . 7 ARG HD2 1 1 8 3343 1 1 7 ARG HD3 H 1.890 8.491 -4.440 1.00 . A A . 7 ARG HD3 1 1 8 3344 1 1 7 ARG HG2 H 1.059 6.831 -3.075 1.00 . A A . 7 ARG HG2 1 1 8 3345 1 1 7 ARG HG3 H 2.492 5.821 -3.277 1.00 . A A . 7 ARG HG3 1 1 8 3346 1 1 7 ARG HH11 H 4.848 9.279 -5.369 1.00 . A A . 7 ARG HH11 1 1 8 3347 1 1 7 ARG HH12 H 5.111 10.597 -4.276 1.00 . A A . 7 ARG HH12 1 1 8 3348 1 1 7 ARG HH21 H 3.674 8.976 -1.559 1.00 . A A . 7 ARG HH21 1 1 8 3349 1 1 7 ARG HH22 H 4.444 10.425 -2.114 1.00 . A A . 7 ARG HH22 1 1 8 3350 1 1 7 ARG N N -1.061 5.720 -3.623 1.00 . A A . 7 ARG N 1 1 8 3351 1 1 7 ARG NE N 3.757 7.784 -3.726 1.00 . A A . 7 ARG NE 1 1 8 3352 1 1 7 ARG NH1 N 4.765 9.676 -4.455 1.00 . A A . 7 ARG NH1 1 1 8 3353 1 1 7 ARG NH2 N 4.099 9.503 -2.295 1.00 . A A . 7 ARG NH2 1 1 8 3354 1 1 7 ARG O O 0.860 4.376 -1.964 1.00 . A A . 7 ARG O 1 1 8 3355 1 1 8 CYS C C 2.463 0.926 -2.776 1.00 . A A . 8 CYS C 1 1 8 3356 1 1 8 CYS CA C 1.265 1.705 -2.217 1.00 . A A . 8 CYS CA 1 1 8 3357 1 1 8 CYS CB C 0.125 0.751 -1.857 1.00 . A A . 8 CYS CB 1 1 8 3358 1 1 8 CYS H H 0.427 2.233 -4.132 1.00 . A A . 8 CYS H 1 1 8 3359 1 1 8 CYS HA H 1.558 2.273 -1.348 1.00 . A A . 8 CYS HA 1 1 8 3360 1 1 8 CYS HB2 H -0.726 1.322 -1.521 1.00 . A A . 8 CYS HB2 1 1 8 3361 1 1 8 CYS HB3 H -0.150 0.174 -2.728 1.00 . A A . 8 CYS HB3 1 1 8 3362 1 1 8 CYS N N 0.694 2.605 -3.265 1.00 . A A . 8 CYS N 1 1 8 3363 1 1 8 CYS O O 2.593 0.742 -3.972 1.00 . A A . 8 CYS O 1 1 8 3364 1 1 8 CYS SG S 0.659 -0.367 -0.538 1.00 . A A . 8 CYS SG 1 1 8 3365 1 1 9 GLY C C 5.363 -0.754 -1.182 1.00 . A A . 9 GLY C 1 1 8 3366 1 1 9 GLY CA C 4.525 -0.302 -2.384 1.00 . A A . 9 GLY CA 1 1 8 3367 1 1 9 GLY H H 3.205 0.629 -0.955 1.00 . A A . 9 GLY H 1 1 8 3368 1 1 9 GLY HA2 H 4.194 -1.168 -2.939 1.00 . A A . 9 GLY HA2 1 1 8 3369 1 1 9 GLY HA3 H 5.129 0.325 -3.022 1.00 . A A . 9 GLY HA3 1 1 8 3370 1 1 9 GLY N N 3.335 0.467 -1.913 1.00 . A A . 9 GLY N 1 1 8 3371 1 1 9 GLY O O 6.411 -0.196 -0.921 1.00 . A A . 9 GLY O 1 1 8 3372 1 1 10 PRO C C 6.862 -3.050 0.270 1.00 . A A . 10 PRO C 1 1 8 3373 1 1 10 PRO CA C 5.596 -2.292 0.696 1.00 . A A . 10 PRO CA 1 1 8 3374 1 1 10 PRO CB C 4.582 -3.232 1.343 1.00 . A A . 10 PRO CB 1 1 8 3375 1 1 10 PRO CD C 3.619 -2.482 -0.737 1.00 . A A . 10 PRO CD 1 1 8 3376 1 1 10 PRO CG C 3.663 -3.632 0.235 1.00 . A A . 10 PRO CG 1 1 8 3377 1 1 10 PRO HA H 5.847 -1.494 1.376 1.00 . A A . 10 PRO HA 1 1 8 3378 1 1 10 PRO HB2 H 5.083 -4.099 1.752 1.00 . A A . 10 PRO HB2 1 1 8 3379 1 1 10 PRO HB3 H 4.031 -2.717 2.113 1.00 . A A . 10 PRO HB3 1 1 8 3380 1 1 10 PRO HD2 H 3.581 -2.849 -1.754 1.00 . A A . 10 PRO HD2 1 1 8 3381 1 1 10 PRO HD3 H 2.775 -1.843 -0.531 1.00 . A A . 10 PRO HD3 1 1 8 3382 1 1 10 PRO HG2 H 4.040 -4.520 -0.255 1.00 . A A . 10 PRO HG2 1 1 8 3383 1 1 10 PRO HG3 H 2.673 -3.817 0.623 1.00 . A A . 10 PRO HG3 1 1 8 3384 1 1 10 PRO N N 4.873 -1.758 -0.490 1.00 . A A . 10 PRO N 1 1 8 3385 1 1 10 PRO O O 7.850 -3.063 0.981 1.00 . A A . 10 PRO O 1 1 8 3386 1 1 11 LYS C C 9.095 -3.448 -1.943 1.00 . A A . 11 LYS C 1 1 8 3387 1 1 11 LYS CA C 8.061 -4.418 -1.348 1.00 . A A . 11 LYS CA 1 1 8 3388 1 1 11 LYS CB C 7.554 -5.382 -2.422 1.00 . A A . 11 LYS CB 1 1 8 3389 1 1 11 LYS CD C 7.118 -7.837 -2.613 1.00 . A A . 11 LYS CD 1 1 8 3390 1 1 11 LYS CE C 7.102 -9.082 -1.719 1.00 . A A . 11 LYS CE 1 1 8 3391 1 1 11 LYS CG C 6.895 -6.589 -1.754 1.00 . A A . 11 LYS CG 1 1 8 3392 1 1 11 LYS H H 6.046 -3.649 -1.445 1.00 . A A . 11 LYS H 1 1 8 3393 1 1 11 LYS HA H 8.495 -4.975 -0.532 1.00 . A A . 11 LYS HA 1 1 8 3394 1 1 11 LYS HB2 H 6.832 -4.877 -3.048 1.00 . A A . 11 LYS HB2 1 1 8 3395 1 1 11 LYS HB3 H 8.384 -5.715 -3.026 1.00 . A A . 11 LYS HB3 1 1 8 3396 1 1 11 LYS HD2 H 6.332 -7.909 -3.351 1.00 . A A . 11 LYS HD2 1 1 8 3397 1 1 11 LYS HD3 H 8.074 -7.766 -3.110 1.00 . A A . 11 LYS HD3 1 1 8 3398 1 1 11 LYS HE2 H 7.922 -9.737 -1.977 1.00 . A A . 11 LYS HE2 1 1 8 3399 1 1 11 LYS HE3 H 7.158 -8.799 -0.680 1.00 . A A . 11 LYS HE3 1 1 8 3400 1 1 11 LYS HG2 H 7.331 -6.742 -0.777 1.00 . A A . 11 LYS HG2 1 1 8 3401 1 1 11 LYS HG3 H 5.837 -6.409 -1.652 1.00 . A A . 11 LYS HG3 1 1 8 3402 1 1 11 LYS HZ1 H 5.955 -10.749 -2.184 1.00 . A A . 11 LYS HZ1 1 1 8 3403 1 1 11 LYS HZ3 H 5.353 -9.311 -2.815 1.00 . A A . 11 LYS HZ3 1 1 8 3404 1 1 11 LYS N N 6.848 -3.675 -0.882 1.00 . A A . 11 LYS N 1 1 8 3405 1 1 11 LYS NZ N 5.797 -9.749 -1.995 1.00 . A A . 11 LYS NZ 1 1 8 3406 1 1 11 LYS O O 10.228 -3.818 -2.187 1.00 . A A . 11 LYS O 1 1 8 3407 1 1 12 MET C C 10.205 -0.275 -1.671 1.00 . A A . 12 MET C 1 1 8 3408 1 1 12 MET CA C 9.671 -1.221 -2.758 1.00 . A A . 12 MET CA 1 1 8 3409 1 1 12 MET CB C 8.856 -0.441 -3.794 1.00 . A A . 12 MET CB 1 1 8 3410 1 1 12 MET CE C 9.903 0.660 -7.444 1.00 . A A . 12 MET CE 1 1 8 3411 1 1 12 MET CG C 9.366 -0.770 -5.198 1.00 . A A . 12 MET CG 1 1 8 3412 1 1 12 MET H H 7.796 -1.936 -1.975 1.00 . A A . 12 MET H 1 1 8 3413 1 1 12 MET HA H 10.488 -1.730 -3.244 1.00 . A A . 12 MET HA 1 1 8 3414 1 1 12 MET HB2 H 7.813 -0.716 -3.716 1.00 . A A . 12 MET HB2 1 1 8 3415 1 1 12 MET HB3 H 8.962 0.620 -3.614 1.00 . A A . 12 MET HB3 1 1 8 3416 1 1 12 MET HE1 H 10.329 -0.135 -8.041 1.00 . A A . 12 MET HE1 1 1 8 3417 1 1 12 MET HE2 H 8.825 0.585 -7.449 1.00 . A A . 12 MET HE2 1 1 8 3418 1 1 12 MET HE3 H 10.196 1.612 -7.856 1.00 . A A . 12 MET HE3 1 1 8 3419 1 1 12 MET HG2 H 9.881 -1.719 -5.181 1.00 . A A . 12 MET HG2 1 1 8 3420 1 1 12 MET HG3 H 8.530 -0.826 -5.881 1.00 . A A . 12 MET HG3 1 1 8 3421 1 1 12 MET N N 8.713 -2.212 -2.178 1.00 . A A . 12 MET N 1 1 8 3422 1 1 12 MET O O 11.340 0.157 -1.727 1.00 . A A . 12 MET O 1 1 8 3423 1 1 12 MET SD S 10.507 0.524 -5.745 1.00 . A A . 12 MET SD 1 1 8 3424 1 1 13 ASP C C 9.930 0.262 1.747 1.00 . A A . 13 ASP C 1 1 8 3425 1 1 13 ASP CA C 9.865 0.981 0.391 1.00 . A A . 13 ASP CA 1 1 8 3426 1 1 13 ASP CB C 8.821 2.101 0.430 1.00 . A A . 13 ASP CB 1 1 8 3427 1 1 13 ASP CG C 9.449 3.402 -0.071 1.00 . A A . 13 ASP CG 1 1 8 3428 1 1 13 ASP H H 8.482 -0.298 -0.663 1.00 . A A . 13 ASP H 1 1 8 3429 1 1 13 ASP HA H 10.830 1.392 0.141 1.00 . A A . 13 ASP HA 1 1 8 3430 1 1 13 ASP HB2 H 7.985 1.837 -0.202 1.00 . A A . 13 ASP HB2 1 1 8 3431 1 1 13 ASP HB3 H 8.476 2.238 1.444 1.00 . A A . 13 ASP HB3 1 1 8 3432 1 1 13 ASP N N 9.398 0.057 -0.689 1.00 . A A . 13 ASP N 1 1 8 3433 1 1 13 ASP O O 10.637 0.687 2.642 1.00 . A A . 13 ASP O 1 1 8 3434 1 1 13 ASP OD1 O 10.096 4.068 0.720 1.00 . A A . 13 ASP OD1 1 1 8 3435 1 1 13 ASP OD2 O 9.274 3.710 -1.238 1.00 . A A . 13 ASP OD2 1 1 8 3436 1 1 14 GLY C C 8.084 -1.018 4.118 1.00 . A A . 14 GLY C 1 1 8 3437 1 1 14 GLY CA C 9.207 -1.545 3.212 1.00 . A A . 14 GLY CA 1 1 8 3438 1 1 14 GLY H H 8.626 -1.131 1.181 1.00 . A A . 14 GLY H 1 1 8 3439 1 1 14 GLY HA2 H 9.057 -2.600 3.029 1.00 . A A . 14 GLY HA2 1 1 8 3440 1 1 14 GLY HA3 H 10.158 -1.397 3.702 1.00 . A A . 14 GLY HA3 1 1 8 3441 1 1 14 GLY N N 9.195 -0.811 1.912 1.00 . A A . 14 GLY N 1 1 8 3442 1 1 14 GLY O O 8.058 -1.292 5.302 1.00 . A A . 14 GLY O 1 1 8 3443 1 1 15 VAL C C 4.699 0.082 3.668 1.00 . A A . 15 VAL C 1 1 8 3444 1 1 15 VAL CA C 6.036 0.281 4.401 1.00 . A A . 15 VAL CA 1 1 8 3445 1 1 15 VAL CB C 6.349 1.775 4.571 1.00 . A A . 15 VAL CB 1 1 8 3446 1 1 15 VAL CG1 C 5.225 2.452 5.363 1.00 . A A . 15 VAL CG1 1 1 8 3447 1 1 15 VAL CG2 C 7.672 1.946 5.328 1.00 . A A . 15 VAL CG2 1 1 8 3448 1 1 15 VAL H H 7.193 -0.054 2.614 1.00 . A A . 15 VAL H 1 1 8 3449 1 1 15 VAL HA H 6.013 -0.203 5.365 1.00 . A A . 15 VAL HA 1 1 8 3450 1 1 15 VAL HB H 6.429 2.236 3.597 1.00 . A A . 15 VAL HB 1 1 8 3451 1 1 15 VAL HG11 H 4.490 1.714 5.649 1.00 . A A . 15 VAL HG11 1 1 8 3452 1 1 15 VAL HG12 H 5.635 2.913 6.248 1.00 . A A . 15 VAL HG12 1 1 8 3453 1 1 15 VAL HG13 H 4.757 3.207 4.749 1.00 . A A . 15 VAL HG13 1 1 8 3454 1 1 15 VAL HG21 H 7.840 2.994 5.526 1.00 . A A . 15 VAL HG21 1 1 8 3455 1 1 15 VAL HG22 H 7.625 1.406 6.263 1.00 . A A . 15 VAL HG22 1 1 8 3456 1 1 15 VAL HG23 H 8.483 1.558 4.729 1.00 . A A . 15 VAL HG23 1 1 8 3457 1 1 15 VAL N N 7.155 -0.264 3.572 1.00 . A A . 15 VAL N 1 1 8 3458 1 1 15 VAL O O 4.435 0.735 2.675 1.00 . A A . 15 VAL O 1 1 8 3459 1 1 16 PRO C C 1.561 -0.022 3.928 1.00 . A A . 16 PRO C 1 1 8 3460 1 1 16 PRO CA C 2.576 -1.117 3.568 1.00 . A A . 16 PRO CA 1 1 8 3461 1 1 16 PRO CB C 2.176 -2.443 4.212 1.00 . A A . 16 PRO CB 1 1 8 3462 1 1 16 PRO CD C 4.153 -1.653 5.368 1.00 . A A . 16 PRO CD 1 1 8 3463 1 1 16 PRO CG C 2.903 -2.480 5.520 1.00 . A A . 16 PRO CG 1 1 8 3464 1 1 16 PRO HA H 2.662 -1.232 2.500 1.00 . A A . 16 PRO HA 1 1 8 3465 1 1 16 PRO HB2 H 1.107 -2.474 4.373 1.00 . A A . 16 PRO HB2 1 1 8 3466 1 1 16 PRO HB3 H 2.488 -3.271 3.593 1.00 . A A . 16 PRO HB3 1 1 8 3467 1 1 16 PRO HD2 H 4.302 -1.034 6.242 1.00 . A A . 16 PRO HD2 1 1 8 3468 1 1 16 PRO HD3 H 5.010 -2.287 5.202 1.00 . A A . 16 PRO HD3 1 1 8 3469 1 1 16 PRO HG2 H 2.278 -2.063 6.298 1.00 . A A . 16 PRO HG2 1 1 8 3470 1 1 16 PRO HG3 H 3.169 -3.496 5.767 1.00 . A A . 16 PRO HG3 1 1 8 3471 1 1 16 PRO N N 3.900 -0.823 4.182 1.00 . A A . 16 PRO N 1 1 8 3472 1 1 16 PRO O O 1.904 0.986 4.519 1.00 . A A . 16 PRO O 1 1 8 3473 1 1 17 CYS C C -0.906 0.841 5.465 1.00 . A A . 17 CYS C 1 1 8 3474 1 1 17 CYS CA C -0.736 0.794 3.941 1.00 . A A . 17 CYS CA 1 1 8 3475 1 1 17 CYS CB C -2.033 0.313 3.277 1.00 . A A . 17 CYS CB 1 1 8 3476 1 1 17 CYS H H 0.050 -1.051 3.135 1.00 . A A . 17 CYS H 1 1 8 3477 1 1 17 CYS HA H -0.460 1.765 3.561 1.00 . A A . 17 CYS HA 1 1 8 3478 1 1 17 CYS HB2 H -2.370 -0.591 3.761 1.00 . A A . 17 CYS HB2 1 1 8 3479 1 1 17 CYS HB3 H -2.791 1.077 3.377 1.00 . A A . 17 CYS HB3 1 1 8 3480 1 1 17 CYS N N 0.306 -0.224 3.595 1.00 . A A . 17 CYS N 1 1 8 3481 1 1 17 CYS O O -0.494 -0.069 6.165 1.00 . A A . 17 CYS O 1 1 8 3482 1 1 17 CYS SG S -1.743 -0.021 1.520 1.00 . A A . 17 CYS SG 1 1 8 3483 1 1 18 CYS C C -2.410 0.726 8.005 1.00 . A A . 18 CYS C 1 1 8 3484 1 1 18 CYS CA C -1.680 1.973 7.475 1.00 . A A . 18 CYS CA 1 1 8 3485 1 1 18 CYS CB C -2.501 3.242 7.720 1.00 . A A . 18 CYS CB 1 1 8 3486 1 1 18 CYS H H -1.815 2.612 5.406 1.00 . A A . 18 CYS H 1 1 8 3487 1 1 18 CYS HA H -0.723 2.061 7.961 1.00 . A A . 18 CYS HA 1 1 8 3488 1 1 18 CYS HB2 H -3.384 3.220 7.106 1.00 . A A . 18 CYS HB2 1 1 8 3489 1 1 18 CYS HB3 H -2.783 3.289 8.760 1.00 . A A . 18 CYS HB3 1 1 8 3490 1 1 18 CYS N N -1.498 1.886 5.988 1.00 . A A . 18 CYS N 1 1 8 3491 1 1 18 CYS O O -2.996 -0.030 7.253 1.00 . A A . 18 CYS O 1 1 8 3492 1 1 18 CYS SG S -1.515 4.704 7.301 1.00 . A A . 18 CYS SG 1 1 8 3493 1 1 19 GLU C C -4.479 -0.852 9.499 1.00 . A A . 19 GLU C 1 1 8 3494 1 1 19 GLU CA C -3.002 -0.707 9.905 1.00 . A A . 19 GLU CA 1 1 8 3495 1 1 19 GLU CB C -2.875 -0.512 11.419 1.00 . A A . 19 GLU CB 1 1 8 3496 1 1 19 GLU CD C -3.980 -1.760 13.285 1.00 . A A . 19 GLU CD 1 1 8 3497 1 1 19 GLU CG C -2.986 -1.866 12.126 1.00 . A A . 19 GLU CG 1 1 8 3498 1 1 19 GLU H H -1.848 1.120 9.869 1.00 . A A . 19 GLU H 1 1 8 3499 1 1 19 GLU HA H -2.466 -1.591 9.611 1.00 . A A . 19 GLU HA 1 1 8 3500 1 1 19 GLU HB2 H -1.916 -0.066 11.645 1.00 . A A . 19 GLU HB2 1 1 8 3501 1 1 19 GLU HB3 H -3.664 0.139 11.766 1.00 . A A . 19 GLU HB3 1 1 8 3502 1 1 19 GLU HG2 H -3.329 -2.613 11.424 1.00 . A A . 19 GLU HG2 1 1 8 3503 1 1 19 GLU HG3 H -2.018 -2.153 12.511 1.00 . A A . 19 GLU HG3 1 1 8 3504 1 1 19 GLU N N -2.347 0.500 9.296 1.00 . A A . 19 GLU N 1 1 8 3505 1 1 19 GLU O O -4.900 -1.938 9.146 1.00 . A A . 19 GLU O 1 1 8 3506 1 1 19 GLU OE1 O -5.159 -1.976 13.051 1.00 . A A . 19 GLU OE1 1 1 8 3507 1 1 19 GLU OE2 O -3.547 -1.463 14.387 1.00 . A A . 19 GLU OE2 1 1 8 3508 1 1 20 PRO C C -6.853 -0.072 7.663 1.00 . A A . 20 PRO C 1 1 8 3509 1 1 20 PRO CA C -6.669 0.162 9.176 1.00 . A A . 20 PRO CA 1 1 8 3510 1 1 20 PRO CB C -7.213 1.528 9.594 1.00 . A A . 20 PRO CB 1 1 8 3511 1 1 20 PRO CD C -4.836 1.587 9.965 1.00 . A A . 20 PRO CD 1 1 8 3512 1 1 20 PRO CG C -6.025 2.432 9.596 1.00 . A A . 20 PRO CG 1 1 8 3513 1 1 20 PRO HA H -7.167 -0.612 9.737 1.00 . A A . 20 PRO HA 1 1 8 3514 1 1 20 PRO HB2 H -7.950 1.871 8.880 1.00 . A A . 20 PRO HB2 1 1 8 3515 1 1 20 PRO HB3 H -7.641 1.477 10.583 1.00 . A A . 20 PRO HB3 1 1 8 3516 1 1 20 PRO HD2 H -3.962 1.916 9.423 1.00 . A A . 20 PRO HD2 1 1 8 3517 1 1 20 PRO HD3 H -4.662 1.620 11.029 1.00 . A A . 20 PRO HD3 1 1 8 3518 1 1 20 PRO HG2 H -5.886 2.859 8.612 1.00 . A A . 20 PRO HG2 1 1 8 3519 1 1 20 PRO HG3 H -6.156 3.215 10.325 1.00 . A A . 20 PRO HG3 1 1 8 3520 1 1 20 PRO N N -5.229 0.228 9.555 1.00 . A A . 20 PRO N 1 1 8 3521 1 1 20 PRO O O -7.966 -0.144 7.181 1.00 . A A . 20 PRO O 1 1 8 3522 1 1 21 TYR C C -4.944 -1.539 4.987 1.00 . A A . 21 TYR C 1 1 8 3523 1 1 21 TYR CA C -5.912 -0.436 5.436 1.00 . A A . 21 TYR CA 1 1 8 3524 1 1 21 TYR CB C -5.555 0.898 4.766 1.00 . A A . 21 TYR CB 1 1 8 3525 1 1 21 TYR CD1 C -7.825 1.944 5.130 1.00 . A A . 21 TYR CD1 1 1 8 3526 1 1 21 TYR CD2 C -5.864 3.064 6.013 1.00 . A A . 21 TYR CD2 1 1 8 3527 1 1 21 TYR CE1 C -8.639 2.956 5.650 1.00 . A A . 21 TYR CE1 1 1 8 3528 1 1 21 TYR CE2 C -6.678 4.079 6.530 1.00 . A A . 21 TYR CE2 1 1 8 3529 1 1 21 TYR CG C -6.436 1.997 5.314 1.00 . A A . 21 TYR CG 1 1 8 3530 1 1 21 TYR CZ C -8.065 4.025 6.350 1.00 . A A . 21 TYR CZ 1 1 8 3531 1 1 21 TYR H H -4.883 -0.148 7.315 1.00 . A A . 21 TYR H 1 1 8 3532 1 1 21 TYR HA H -6.928 -0.710 5.191 1.00 . A A . 21 TYR HA 1 1 8 3533 1 1 21 TYR HB2 H -4.520 1.134 4.965 1.00 . A A . 21 TYR HB2 1 1 8 3534 1 1 21 TYR HB3 H -5.706 0.815 3.699 1.00 . A A . 21 TYR HB3 1 1 8 3535 1 1 21 TYR HD1 H -8.267 1.120 4.590 1.00 . A A . 21 TYR HD1 1 1 8 3536 1 1 21 TYR HD2 H -4.796 3.106 6.151 1.00 . A A . 21 TYR HD2 1 1 8 3537 1 1 21 TYR HE1 H -9.708 2.916 5.509 1.00 . A A . 21 TYR HE1 1 1 8 3538 1 1 21 TYR HE2 H -6.234 4.903 7.070 1.00 . A A . 21 TYR HE2 1 1 8 3539 1 1 21 TYR HH H -9.452 5.326 6.170 1.00 . A A . 21 TYR HH 1 1 8 3540 1 1 21 TYR N N -5.777 -0.199 6.911 1.00 . A A . 21 TYR N 1 1 8 3541 1 1 21 TYR O O -4.124 -2.008 5.757 1.00 . A A . 21 TYR O 1 1 8 3542 1 1 21 TYR OH O -8.865 5.023 6.866 1.00 . A A . 21 TYR OH 1 1 8 3543 1 1 22 THR C C -3.668 -2.724 1.816 1.00 . A A . 22 THR C 1 1 8 3544 1 1 22 THR CA C -4.126 -3.034 3.246 1.00 . A A . 22 THR CA 1 1 8 3545 1 1 22 THR CB C -4.957 -4.327 3.268 1.00 . A A . 22 THR CB 1 1 8 3546 1 1 22 THR CG2 C -5.043 -4.863 4.702 1.00 . A A . 22 THR CG2 1 1 8 3547 1 1 22 THR H H -5.706 -1.567 3.150 1.00 . A A . 22 THR H 1 1 8 3548 1 1 22 THR HA H -3.271 -3.138 3.895 1.00 . A A . 22 THR HA 1 1 8 3549 1 1 22 THR HB H -4.476 -5.067 2.646 1.00 . A A . 22 THR HB 1 1 8 3550 1 1 22 THR HG1 H -6.799 -3.710 3.478 1.00 . A A . 22 THR HG1 1 1 8 3551 1 1 22 THR HG21 H -4.052 -5.110 5.054 1.00 . A A . 22 THR HG21 1 1 8 3552 1 1 22 THR HG22 H -5.475 -4.109 5.343 1.00 . A A . 22 THR HG22 1 1 8 3553 1 1 22 THR HG23 H -5.662 -5.749 4.718 1.00 . A A . 22 THR HG23 1 1 8 3554 1 1 22 THR N N -5.036 -1.958 3.749 1.00 . A A . 22 THR N 1 1 8 3555 1 1 22 THR O O -4.331 -2.015 1.081 1.00 . A A . 22 THR O 1 1 8 3556 1 1 22 THR OG1 O -6.266 -4.071 2.766 1.00 . A A . 22 THR OG1 1 1 8 3557 1 1 23 CYS C C -2.553 -4.087 -0.921 1.00 . A A . 23 CYS C 1 1 8 3558 1 1 23 CYS CA C -2.034 -3.006 0.035 1.00 . A A . 23 CYS CA 1 1 8 3559 1 1 23 CYS CB C -0.508 -3.071 0.150 1.00 . A A . 23 CYS CB 1 1 8 3560 1 1 23 CYS H H -2.030 -3.830 2.028 1.00 . A A . 23 CYS H 1 1 8 3561 1 1 23 CYS HA H -2.335 -2.028 -0.304 1.00 . A A . 23 CYS HA 1 1 8 3562 1 1 23 CYS HB2 H -0.197 -2.598 1.069 1.00 . A A . 23 CYS HB2 1 1 8 3563 1 1 23 CYS HB3 H -0.189 -4.103 0.151 1.00 . A A . 23 CYS HB3 1 1 8 3564 1 1 23 CYS N N -2.541 -3.258 1.418 1.00 . A A . 23 CYS N 1 1 8 3565 1 1 23 CYS O O -2.337 -5.267 -0.714 1.00 . A A . 23 CYS O 1 1 8 3566 1 1 23 CYS SG S 0.239 -2.208 -1.254 1.00 . A A . 23 CYS SG 1 1 8 3567 1 1 24 THR C C -2.633 -5.398 -3.671 1.00 . A A . 24 THR C 1 1 8 3568 1 1 24 THR CA C -3.780 -4.686 -2.942 1.00 . A A . 24 THR CA 1 1 8 3569 1 1 24 THR CB C -4.630 -3.877 -3.934 1.00 . A A . 24 THR CB 1 1 8 3570 1 1 24 THR CG2 C -5.874 -3.333 -3.224 1.00 . A A . 24 THR CG2 1 1 8 3571 1 1 24 THR H H -3.397 -2.730 -2.107 1.00 . A A . 24 THR H 1 1 8 3572 1 1 24 THR HA H -4.399 -5.405 -2.434 1.00 . A A . 24 THR HA 1 1 8 3573 1 1 24 THR HB H -4.940 -4.517 -4.746 1.00 . A A . 24 THR HB 1 1 8 3574 1 1 24 THR HG1 H -3.555 -3.041 -5.326 1.00 . A A . 24 THR HG1 1 1 8 3575 1 1 24 THR HG21 H -6.761 -3.717 -3.707 1.00 . A A . 24 THR HG21 1 1 8 3576 1 1 24 THR HG22 H -5.865 -3.645 -2.190 1.00 . A A . 24 THR HG22 1 1 8 3577 1 1 24 THR HG23 H -5.875 -2.255 -3.274 1.00 . A A . 24 THR HG23 1 1 8 3578 1 1 24 THR N N -3.239 -3.687 -1.965 1.00 . A A . 24 THR N 1 1 8 3579 1 1 24 THR O O -2.699 -6.584 -3.934 1.00 . A A . 24 THR O 1 1 8 3580 1 1 24 THR OG1 O -3.865 -2.795 -4.451 1.00 . A A . 24 THR OG1 1 1 8 3581 1 1 25 SER C C 0.846 -5.183 -3.837 1.00 . A A . 25 SER C 1 1 8 3582 1 1 25 SER CA C -0.424 -5.309 -4.694 1.00 . A A . 25 SER CA 1 1 8 3583 1 1 25 SER CB C -0.277 -4.525 -6.003 1.00 . A A . 25 SER CB 1 1 8 3584 1 1 25 SER H H -1.559 -3.730 -3.760 1.00 . A A . 25 SER H 1 1 8 3585 1 1 25 SER HA H -0.628 -6.346 -4.909 1.00 . A A . 25 SER HA 1 1 8 3586 1 1 25 SER HB2 H 0.025 -3.514 -5.787 1.00 . A A . 25 SER HB2 1 1 8 3587 1 1 25 SER HB3 H 0.476 -4.998 -6.619 1.00 . A A . 25 SER HB3 1 1 8 3588 1 1 25 SER HG H -1.599 -5.320 -7.192 1.00 . A A . 25 SER HG 1 1 8 3589 1 1 25 SER N N -1.584 -4.683 -3.989 1.00 . A A . 25 SER N 1 1 8 3590 1 1 25 SER O O 0.776 -4.984 -2.637 1.00 . A A . 25 SER O 1 1 8 3591 1 1 25 SER OG O -1.523 -4.506 -6.688 1.00 . A A . 25 SER OG 1 1 8 3592 1 1 26 ASP C C 4.193 -4.136 -4.290 1.00 . A A . 26 ASP C 1 1 8 3593 1 1 26 ASP CA C 3.276 -5.193 -3.666 1.00 . A A . 26 ASP CA 1 1 8 3594 1 1 26 ASP CB C 3.908 -6.584 -3.753 1.00 . A A . 26 ASP CB 1 1 8 3595 1 1 26 ASP CG C 3.298 -7.483 -2.675 1.00 . A A . 26 ASP CG 1 1 8 3596 1 1 26 ASP H H 2.034 -5.467 -5.407 1.00 . A A . 26 ASP H 1 1 8 3597 1 1 26 ASP HA H 3.070 -4.949 -2.635 1.00 . A A . 26 ASP HA 1 1 8 3598 1 1 26 ASP HB2 H 3.713 -7.006 -4.730 1.00 . A A . 26 ASP HB2 1 1 8 3599 1 1 26 ASP HB3 H 4.973 -6.507 -3.599 1.00 . A A . 26 ASP HB3 1 1 8 3600 1 1 26 ASP N N 2.002 -5.302 -4.441 1.00 . A A . 26 ASP N 1 1 8 3601 1 1 26 ASP O O 4.754 -3.309 -3.598 1.00 . A A . 26 ASP O 1 1 8 3602 1 1 26 ASP OD1 O 3.783 -7.446 -1.557 1.00 . A A . 26 ASP OD1 1 1 8 3603 1 1 26 ASP OD2 O 2.350 -8.186 -2.985 1.00 . A A . 26 ASP OD2 1 1 8 3604 1 1 27 TYR C C 4.370 -2.066 -6.937 1.00 . A A . 27 TYR C 1 1 8 3605 1 1 27 TYR CA C 5.224 -3.146 -6.258 1.00 . A A . 27 TYR CA 1 1 8 3606 1 1 27 TYR CB C 6.025 -3.933 -7.298 1.00 . A A . 27 TYR CB 1 1 8 3607 1 1 27 TYR CD1 C 8.275 -3.871 -6.160 1.00 . A A . 27 TYR CD1 1 1 8 3608 1 1 27 TYR CD2 C 7.175 -6.012 -6.446 1.00 . A A . 27 TYR CD2 1 1 8 3609 1 1 27 TYR CE1 C 9.351 -4.507 -5.529 1.00 . A A . 27 TYR CE1 1 1 8 3610 1 1 27 TYR CE2 C 8.250 -6.649 -5.814 1.00 . A A . 27 TYR CE2 1 1 8 3611 1 1 27 TYR CG C 7.187 -4.623 -6.619 1.00 . A A . 27 TYR CG 1 1 8 3612 1 1 27 TYR CZ C 9.339 -5.896 -5.355 1.00 . A A . 27 TYR CZ 1 1 8 3613 1 1 27 TYR H H 3.884 -4.831 -6.127 1.00 . A A . 27 TYR H 1 1 8 3614 1 1 27 TYR HA H 5.891 -2.698 -5.542 1.00 . A A . 27 TYR HA 1 1 8 3615 1 1 27 TYR HB2 H 5.387 -4.671 -7.762 1.00 . A A . 27 TYR HB2 1 1 8 3616 1 1 27 TYR HB3 H 6.401 -3.256 -8.051 1.00 . A A . 27 TYR HB3 1 1 8 3617 1 1 27 TYR HD1 H 8.286 -2.799 -6.294 1.00 . A A . 27 TYR HD1 1 1 8 3618 1 1 27 TYR HD2 H 6.336 -6.594 -6.799 1.00 . A A . 27 TYR HD2 1 1 8 3619 1 1 27 TYR HE1 H 10.190 -3.926 -5.176 1.00 . A A . 27 TYR HE1 1 1 8 3620 1 1 27 TYR HE2 H 8.241 -7.721 -5.681 1.00 . A A . 27 TYR HE2 1 1 8 3621 1 1 27 TYR HH H 11.126 -6.570 -5.352 1.00 . A A . 27 TYR HH 1 1 8 3622 1 1 27 TYR N N 4.347 -4.155 -5.590 1.00 . A A . 27 TYR N 1 1 8 3623 1 1 27 TYR O O 4.772 -0.922 -7.038 1.00 . A A . 27 TYR O 1 1 8 3624 1 1 27 TYR OH O 10.397 -6.523 -4.730 1.00 . A A . 27 TYR OH 1 1 8 3625 1 1 28 TYR C C 0.855 -1.642 -7.652 1.00 . A A . 28 TYR C 1 1 8 3626 1 1 28 TYR CA C 2.314 -1.421 -8.070 1.00 . A A . 28 TYR CA 1 1 8 3627 1 1 28 TYR CB C 2.499 -1.673 -9.571 1.00 . A A . 28 TYR CB 1 1 8 3628 1 1 28 TYR CD1 C 2.654 0.746 -10.271 1.00 . A A . 28 TYR CD1 1 1 8 3629 1 1 28 TYR CD2 C 0.854 -0.612 -11.162 1.00 . A A . 28 TYR CD2 1 1 8 3630 1 1 28 TYR CE1 C 2.182 1.848 -10.995 1.00 . A A . 28 TYR CE1 1 1 8 3631 1 1 28 TYR CE2 C 0.382 0.490 -11.887 1.00 . A A . 28 TYR CE2 1 1 8 3632 1 1 28 TYR CG C 1.989 -0.483 -10.354 1.00 . A A . 28 TYR CG 1 1 8 3633 1 1 28 TYR CZ C 1.046 1.719 -11.803 1.00 . A A . 28 TYR CZ 1 1 8 3634 1 1 28 TYR H H 2.896 -3.349 -7.305 1.00 . A A . 28 TYR H 1 1 8 3635 1 1 28 TYR HA H 2.627 -0.420 -7.823 1.00 . A A . 28 TYR HA 1 1 8 3636 1 1 28 TYR HB2 H 3.548 -1.820 -9.783 1.00 . A A . 28 TYR HB2 1 1 8 3637 1 1 28 TYR HB3 H 1.947 -2.556 -9.858 1.00 . A A . 28 TYR HB3 1 1 8 3638 1 1 28 TYR HD1 H 3.530 0.846 -9.646 1.00 . A A . 28 TYR HD1 1 1 8 3639 1 1 28 TYR HD2 H 0.340 -1.560 -11.226 1.00 . A A . 28 TYR HD2 1 1 8 3640 1 1 28 TYR HE1 H 2.695 2.796 -10.930 1.00 . A A . 28 TYR HE1 1 1 8 3641 1 1 28 TYR HE2 H -0.494 0.390 -12.511 1.00 . A A . 28 TYR HE2 1 1 8 3642 1 1 28 TYR HH H -0.134 3.207 -12.016 1.00 . A A . 28 TYR HH 1 1 8 3643 1 1 28 TYR N N 3.196 -2.423 -7.401 1.00 . A A . 28 TYR N 1 1 8 3644 1 1 28 TYR O O 0.112 -2.357 -8.301 1.00 . A A . 28 TYR O 1 1 8 3645 1 1 28 TYR OH O 0.580 2.806 -12.518 1.00 . A A . 28 TYR OH 1 1 8 3646 1 1 29 GLY C C -1.405 0.039 -5.315 1.00 . A A . 29 GLY C 1 1 8 3647 1 1 29 GLY CA C -0.965 -1.202 -6.097 1.00 . A A . 29 GLY CA 1 1 8 3648 1 1 29 GLY H H 1.062 -0.466 -6.062 1.00 . A A . 29 GLY H 1 1 8 3649 1 1 29 GLY HA2 H -1.615 -1.339 -6.950 1.00 . A A . 29 GLY HA2 1 1 8 3650 1 1 29 GLY HA3 H -1.029 -2.066 -5.454 1.00 . A A . 29 GLY HA3 1 1 8 3651 1 1 29 GLY N N 0.443 -1.034 -6.567 1.00 . A A . 29 GLY N 1 1 8 3652 1 1 29 GLY O O -0.766 1.074 -5.360 1.00 . A A . 29 GLY O 1 1 8 3653 1 1 30 ASN C C -3.677 0.625 -2.522 1.00 . A A . 30 ASN C 1 1 8 3654 1 1 30 ASN CA C -2.995 1.105 -3.810 1.00 . A A . 30 ASN CA 1 1 8 3655 1 1 30 ASN CB C -4.002 1.811 -4.728 1.00 . A A . 30 ASN CB 1 1 8 3656 1 1 30 ASN CG C -5.202 0.894 -4.994 1.00 . A A . 30 ASN CG 1 1 8 3657 1 1 30 ASN H H -2.993 -0.908 -4.585 1.00 . A A . 30 ASN H 1 1 8 3658 1 1 30 ASN HA H -2.181 1.773 -3.576 1.00 . A A . 30 ASN HA 1 1 8 3659 1 1 30 ASN HB2 H -4.343 2.720 -4.253 1.00 . A A . 30 ASN HB2 1 1 8 3660 1 1 30 ASN HB3 H -3.524 2.055 -5.665 1.00 . A A . 30 ASN HB3 1 1 8 3661 1 1 30 ASN HD21 H -6.320 1.698 -3.561 1.00 . A A . 30 ASN HD21 1 1 8 3662 1 1 30 ASN HD22 H -7.051 0.438 -4.431 1.00 . A A . 30 ASN HD22 1 1 8 3663 1 1 30 ASN N N -2.497 -0.062 -4.602 1.00 . A A . 30 ASN N 1 1 8 3664 1 1 30 ASN ND2 N -6.281 1.021 -4.268 1.00 . A A . 30 ASN ND2 1 1 8 3665 1 1 30 ASN O O -3.943 -0.551 -2.350 1.00 . A A . 30 ASN O 1 1 8 3666 1 1 30 ASN OD1 O -5.158 0.056 -5.872 1.00 . A A . 30 ASN OD1 1 1 8 3667 1 1 31 CYS C C -6.123 1.498 -0.390 1.00 . A A . 31 CYS C 1 1 8 3668 1 1 31 CYS CA C -4.634 1.134 -0.342 1.00 . A A . 31 CYS CA 1 1 8 3669 1 1 31 CYS CB C -3.926 1.939 0.751 1.00 . A A . 31 CYS CB 1 1 8 3670 1 1 31 CYS H H -3.743 2.470 -1.784 1.00 . A A . 31 CYS H 1 1 8 3671 1 1 31 CYS HA H -4.510 0.078 -0.162 1.00 . A A . 31 CYS HA 1 1 8 3672 1 1 31 CYS HB2 H -4.177 2.984 0.647 1.00 . A A . 31 CYS HB2 1 1 8 3673 1 1 31 CYS HB3 H -4.246 1.588 1.722 1.00 . A A . 31 CYS HB3 1 1 8 3674 1 1 31 CYS N N -3.965 1.528 -1.620 1.00 . A A . 31 CYS N 1 1 8 3675 1 1 31 CYS O O -6.558 2.254 -1.239 1.00 . A A . 31 CYS O 1 1 8 3676 1 1 31 CYS SG S -2.133 1.733 0.598 1.00 . A A . 31 CYS SG 1 1 8 3677 1 1 32 SER C C -9.022 0.736 1.817 1.00 . A A . 32 SER C 1 1 8 3678 1 1 32 SER CA C -8.370 1.284 0.538 1.00 . A A . 32 SER CA 1 1 8 3679 1 1 32 SER CB C -8.956 0.600 -0.703 1.00 . A A . 32 SER CB 1 1 8 3680 1 1 32 SER H H -6.529 0.364 1.193 1.00 . A A . 32 SER H 1 1 8 3681 1 1 32 SER HA H -8.521 2.351 0.473 1.00 . A A . 32 SER HA 1 1 8 3682 1 1 32 SER HB2 H -10.029 0.695 -0.696 1.00 . A A . 32 SER HB2 1 1 8 3683 1 1 32 SER HB3 H -8.563 1.075 -1.593 1.00 . A A . 32 SER HB3 1 1 8 3684 1 1 32 SER HG H -9.410 -1.287 -0.551 1.00 . A A . 32 SER HG 1 1 8 3685 1 1 32 SER N N -6.905 0.968 0.519 1.00 . A A . 32 SER N 1 1 8 3686 1 1 32 SER O O -9.962 1.354 2.288 1.00 . A A . 32 SER O 1 1 8 3687 1 1 32 SER OXT O -8.572 -0.291 2.303 1.00 . A A . 32 SER OXT 1 1 8 3688 1 1 32 SER OG O -8.608 -0.780 -0.696 1.00 . A A . 32 SER OG 1 1 9 3689 1 1 1 CYS C C 1.912 4.698 5.737 1.00 . A A . 1 CYS C 1 1 9 3690 1 1 1 CYS CA C 2.333 3.846 6.939 1.00 . A A . 1 CYS CA 1 1 9 3691 1 1 1 CYS CB C 1.102 3.451 7.762 1.00 . A A . 1 CYS CB 1 1 9 3692 1 1 1 CYS H1 H 3.751 5.318 7.332 1.00 . A A . 1 CYS H1 1 1 9 3693 1 1 1 CYS H2 H 2.602 5.140 8.547 1.00 . A A . 1 CYS H2 1 1 9 3694 1 1 1 CYS H3 H 3.285 5.921 5.700 1.00 . A A . 1 CYS H3 1 1 9 3695 1 1 1 CYS HA H 2.853 2.961 6.609 1.00 . A A . 1 CYS HA 1 1 9 3696 1 1 1 CYS HB2 H 0.608 2.620 7.281 1.00 . A A . 1 CYS HB2 1 1 9 3697 1 1 1 CYS HB3 H 1.411 3.160 8.755 1.00 . A A . 1 CYS HB3 1 1 9 3698 1 1 1 CYS N N 3.196 4.638 7.871 1.00 . A A . 1 CYS N 1 1 9 3699 1 1 1 CYS O O 2.259 5.861 5.632 1.00 . A A . 1 CYS O 1 1 9 3700 1 1 1 CYS SG S -0.041 4.861 7.867 1.00 . A A . 1 CYS SG 1 1 9 3701 1 1 2 ILE C C -0.792 5.270 3.824 1.00 . A A . 2 ILE C 1 1 9 3702 1 1 2 ILE CA C 0.685 4.894 3.647 1.00 . A A . 2 ILE CA 1 1 9 3703 1 1 2 ILE CB C 0.872 3.943 2.457 1.00 . A A . 2 ILE CB 1 1 9 3704 1 1 2 ILE CD1 C 3.092 2.796 2.523 1.00 . A A . 2 ILE CD1 1 1 9 3705 1 1 2 ILE CG1 C 2.327 4.005 1.983 1.00 . A A . 2 ILE CG1 1 1 9 3706 1 1 2 ILE CG2 C -0.054 4.348 1.305 1.00 . A A . 2 ILE CG2 1 1 9 3707 1 1 2 ILE H H 0.878 3.192 4.953 1.00 . A A . 2 ILE H 1 1 9 3708 1 1 2 ILE HA H 1.287 5.780 3.510 1.00 . A A . 2 ILE HA 1 1 9 3709 1 1 2 ILE HB H 0.637 2.937 2.767 1.00 . A A . 2 ILE HB 1 1 9 3710 1 1 2 ILE HD11 H 4.119 2.841 2.191 1.00 . A A . 2 ILE HD11 1 1 9 3711 1 1 2 ILE HD12 H 3.063 2.803 3.603 1.00 . A A . 2 ILE HD12 1 1 9 3712 1 1 2 ILE HD13 H 2.635 1.888 2.158 1.00 . A A . 2 ILE HD13 1 1 9 3713 1 1 2 ILE HG12 H 2.353 3.995 0.903 1.00 . A A . 2 ILE HG12 1 1 9 3714 1 1 2 ILE HG13 H 2.786 4.910 2.348 1.00 . A A . 2 ILE HG13 1 1 9 3715 1 1 2 ILE HG21 H 0.125 5.381 1.044 1.00 . A A . 2 ILE HG21 1 1 9 3716 1 1 2 ILE HG22 H 0.144 3.722 0.448 1.00 . A A . 2 ILE HG22 1 1 9 3717 1 1 2 ILE HG23 H -1.082 4.227 1.610 1.00 . A A . 2 ILE HG23 1 1 9 3718 1 1 2 ILE N N 1.152 4.126 4.838 1.00 . A A . 2 ILE N 1 1 9 3719 1 1 2 ILE O O -1.570 4.489 4.340 1.00 . A A . 2 ILE O 1 1 9 3720 1 1 3 PRO C C -3.439 6.170 2.527 1.00 . A A . 3 PRO C 1 1 9 3721 1 1 3 PRO CA C -2.530 6.940 3.492 1.00 . A A . 3 PRO CA 1 1 9 3722 1 1 3 PRO CB C -2.435 8.411 3.094 1.00 . A A . 3 PRO CB 1 1 9 3723 1 1 3 PRO CD C -0.254 7.455 2.752 1.00 . A A . 3 PRO CD 1 1 9 3724 1 1 3 PRO CG C -1.208 8.503 2.246 1.00 . A A . 3 PRO CG 1 1 9 3725 1 1 3 PRO HA H -2.887 6.853 4.506 1.00 . A A . 3 PRO HA 1 1 9 3726 1 1 3 PRO HB2 H -3.309 8.704 2.528 1.00 . A A . 3 PRO HB2 1 1 9 3727 1 1 3 PRO HB3 H -2.327 9.032 3.969 1.00 . A A . 3 PRO HB3 1 1 9 3728 1 1 3 PRO HD2 H 0.296 7.017 1.930 1.00 . A A . 3 PRO HD2 1 1 9 3729 1 1 3 PRO HD3 H 0.422 7.874 3.482 1.00 . A A . 3 PRO HD3 1 1 9 3730 1 1 3 PRO HG2 H -1.458 8.312 1.212 1.00 . A A . 3 PRO HG2 1 1 9 3731 1 1 3 PRO HG3 H -0.760 9.481 2.345 1.00 . A A . 3 PRO HG3 1 1 9 3732 1 1 3 PRO N N -1.130 6.458 3.385 1.00 . A A . 3 PRO N 1 1 9 3733 1 1 3 PRO O O -3.056 5.863 1.416 1.00 . A A . 3 PRO O 1 1 9 3734 1 1 4 LYS C C -5.839 5.894 0.760 1.00 . A A . 4 LYS C 1 1 9 3735 1 1 4 LYS CA C -5.578 5.106 2.055 1.00 . A A . 4 LYS CA 1 1 9 3736 1 1 4 LYS CB C -6.873 4.943 2.867 1.00 . A A . 4 LYS CB 1 1 9 3737 1 1 4 LYS CD C -7.644 6.723 4.459 1.00 . A A . 4 LYS CD 1 1 9 3738 1 1 4 LYS CE C -8.392 8.055 4.580 1.00 . A A . 4 LYS CE 1 1 9 3739 1 1 4 LYS CG C -7.601 6.290 2.991 1.00 . A A . 4 LYS CG 1 1 9 3740 1 1 4 LYS H H -4.921 6.107 3.851 1.00 . A A . 4 LYS H 1 1 9 3741 1 1 4 LYS HA H -5.171 4.135 1.824 1.00 . A A . 4 LYS HA 1 1 9 3742 1 1 4 LYS HB2 H -7.520 4.234 2.370 1.00 . A A . 4 LYS HB2 1 1 9 3743 1 1 4 LYS HB3 H -6.634 4.575 3.853 1.00 . A A . 4 LYS HB3 1 1 9 3744 1 1 4 LYS HD2 H -8.155 5.969 5.040 1.00 . A A . 4 LYS HD2 1 1 9 3745 1 1 4 LYS HD3 H -6.637 6.841 4.830 1.00 . A A . 4 LYS HD3 1 1 9 3746 1 1 4 LYS HE2 H -9.081 8.174 3.755 1.00 . A A . 4 LYS HE2 1 1 9 3747 1 1 4 LYS HE3 H -8.919 8.107 5.520 1.00 . A A . 4 LYS HE3 1 1 9 3748 1 1 4 LYS HG2 H -7.079 7.038 2.413 1.00 . A A . 4 LYS HG2 1 1 9 3749 1 1 4 LYS HG3 H -8.610 6.189 2.619 1.00 . A A . 4 LYS HG3 1 1 9 3750 1 1 4 LYS HZ1 H -7.623 9.854 3.882 1.00 . A A . 4 LYS HZ1 1 1 9 3751 1 1 4 LYS HZ3 H -6.451 8.691 4.201 1.00 . A A . 4 LYS HZ3 1 1 9 3752 1 1 4 LYS N N -4.639 5.854 2.948 1.00 . A A . 4 LYS N 1 1 9 3753 1 1 4 LYS NZ N -7.335 9.107 4.529 1.00 . A A . 4 LYS NZ 1 1 9 3754 1 1 4 LYS O O -5.600 7.087 0.688 1.00 . A A . 4 LYS O 1 1 9 3755 1 1 5 TRP C C -5.376 6.582 -2.145 1.00 . A A . 5 TRP C 1 1 9 3756 1 1 5 TRP CA C -6.627 5.906 -1.564 1.00 . A A . 5 TRP CA 1 1 9 3757 1 1 5 TRP CB C -7.712 6.934 -1.244 1.00 . A A . 5 TRP CB 1 1 9 3758 1 1 5 TRP CD1 C -9.546 5.502 -0.275 1.00 . A A . 5 TRP CD1 1 1 9 3759 1 1 5 TRP CD2 C -10.014 6.221 -2.350 1.00 . A A . 5 TRP CD2 1 1 9 3760 1 1 5 TRP CE2 C -11.116 5.441 -1.935 1.00 . A A . 5 TRP CE2 1 1 9 3761 1 1 5 TRP CE3 C -10.049 6.796 -3.630 1.00 . A A . 5 TRP CE3 1 1 9 3762 1 1 5 TRP CG C -9.036 6.250 -1.277 1.00 . A A . 5 TRP CG 1 1 9 3763 1 1 5 TRP CH2 C -12.239 5.815 -4.034 1.00 . A A . 5 TRP CH2 1 1 9 3764 1 1 5 TRP CZ2 C -12.220 5.238 -2.763 1.00 . A A . 5 TRP CZ2 1 1 9 3765 1 1 5 TRP CZ3 C -11.157 6.593 -4.468 1.00 . A A . 5 TRP CZ3 1 1 9 3766 1 1 5 TRP H H -6.512 4.269 -0.167 1.00 . A A . 5 TRP H 1 1 9 3767 1 1 5 TRP HA H -7.016 5.188 -2.267 1.00 . A A . 5 TRP HA 1 1 9 3768 1 1 5 TRP HB2 H -7.543 7.352 -0.263 1.00 . A A . 5 TRP HB2 1 1 9 3769 1 1 5 TRP HB3 H -7.695 7.722 -1.983 1.00 . A A . 5 TRP HB3 1 1 9 3770 1 1 5 TRP HD1 H -9.064 5.311 0.671 1.00 . A A . 5 TRP HD1 1 1 9 3771 1 1 5 TRP HE1 H -11.369 4.458 -0.114 1.00 . A A . 5 TRP HE1 1 1 9 3772 1 1 5 TRP HE3 H -9.217 7.393 -3.972 1.00 . A A . 5 TRP HE3 1 1 9 3773 1 1 5 TRP HH2 H -13.087 5.658 -4.681 1.00 . A A . 5 TRP HH2 1 1 9 3774 1 1 5 TRP HZ2 H -13.050 4.637 -2.424 1.00 . A A . 5 TRP HZ2 1 1 9 3775 1 1 5 TRP HZ3 H -11.175 7.038 -5.452 1.00 . A A . 5 TRP HZ3 1 1 9 3776 1 1 5 TRP N N -6.331 5.228 -0.259 1.00 . A A . 5 TRP N 1 1 9 3777 1 1 5 TRP NE1 N -10.785 5.024 -0.661 1.00 . A A . 5 TRP NE1 1 1 9 3778 1 1 5 TRP O O -5.463 7.593 -2.820 1.00 . A A . 5 TRP O 1 1 9 3779 1 1 6 ASN C C -2.066 5.524 -3.026 1.00 . A A . 6 ASN C 1 1 9 3780 1 1 6 ASN CA C -2.960 6.625 -2.442 1.00 . A A . 6 ASN CA 1 1 9 3781 1 1 6 ASN CB C -2.285 7.290 -1.239 1.00 . A A . 6 ASN CB 1 1 9 3782 1 1 6 ASN CG C -2.342 8.811 -1.391 1.00 . A A . 6 ASN CG 1 1 9 3783 1 1 6 ASN H H -4.169 5.211 -1.358 1.00 . A A . 6 ASN H 1 1 9 3784 1 1 6 ASN HA H -3.188 7.364 -3.195 1.00 . A A . 6 ASN HA 1 1 9 3785 1 1 6 ASN HB2 H -2.797 7.002 -0.335 1.00 . A A . 6 ASN HB2 1 1 9 3786 1 1 6 ASN HB3 H -1.253 6.974 -1.183 1.00 . A A . 6 ASN HB3 1 1 9 3787 1 1 6 ASN HD21 H -4.205 8.951 -0.717 1.00 . A A . 6 ASN HD21 1 1 9 3788 1 1 6 ASN HD22 H -3.479 10.421 -1.152 1.00 . A A . 6 ASN HD22 1 1 9 3789 1 1 6 ASN N N -4.216 6.027 -1.898 1.00 . A A . 6 ASN N 1 1 9 3790 1 1 6 ASN ND2 N -3.432 9.447 -1.059 1.00 . A A . 6 ASN ND2 1 1 9 3791 1 1 6 ASN O O -2.491 4.396 -3.204 1.00 . A A . 6 ASN O 1 1 9 3792 1 1 6 ASN OD1 O -1.384 9.427 -1.814 1.00 . A A . 6 ASN OD1 1 1 9 3793 1 1 7 ARG C C 0.642 3.924 -2.769 1.00 . A A . 7 ARG C 1 1 9 3794 1 1 7 ARG CA C 0.095 4.814 -3.890 1.00 . A A . 7 ARG CA 1 1 9 3795 1 1 7 ARG CB C 1.228 5.610 -4.545 1.00 . A A . 7 ARG CB 1 1 9 3796 1 1 7 ARG CD C 0.856 5.369 -7.013 1.00 . A A . 7 ARG CD 1 1 9 3797 1 1 7 ARG CG C 0.709 6.305 -5.809 1.00 . A A . 7 ARG CG 1 1 9 3798 1 1 7 ARG CZ C 2.709 4.869 -8.495 1.00 . A A . 7 ARG CZ 1 1 9 3799 1 1 7 ARG H H -0.510 6.755 -3.166 1.00 . A A . 7 ARG H 1 1 9 3800 1 1 7 ARG HA H -0.415 4.218 -4.631 1.00 . A A . 7 ARG HA 1 1 9 3801 1 1 7 ARG HB2 H 1.595 6.352 -3.851 1.00 . A A . 7 ARG HB2 1 1 9 3802 1 1 7 ARG HB3 H 2.031 4.939 -4.810 1.00 . A A . 7 ARG HB3 1 1 9 3803 1 1 7 ARG HD2 H 0.751 4.338 -6.702 1.00 . A A . 7 ARG HD2 1 1 9 3804 1 1 7 ARG HD3 H 0.123 5.611 -7.768 1.00 . A A . 7 ARG HD3 1 1 9 3805 1 1 7 ARG HG2 H -0.333 6.560 -5.675 1.00 . A A . 7 ARG HG2 1 1 9 3806 1 1 7 ARG HG3 H 1.279 7.205 -5.983 1.00 . A A . 7 ARG HG3 1 1 9 3807 1 1 7 ARG HH11 H 3.294 3.400 -7.263 1.00 . A A . 7 ARG HH11 1 1 9 3808 1 1 7 ARG HH12 H 3.616 3.140 -8.944 1.00 . A A . 7 ARG HH12 1 1 9 3809 1 1 7 ARG HH21 H 2.238 6.163 -9.953 1.00 . A A . 7 ARG HH21 1 1 9 3810 1 1 7 ARG HH22 H 3.015 4.705 -10.471 1.00 . A A . 7 ARG HH22 1 1 9 3811 1 1 7 ARG N N -0.831 5.841 -3.321 1.00 . A A . 7 ARG N 1 1 9 3812 1 1 7 ARG NE N 2.229 5.618 -7.538 1.00 . A A . 7 ARG NE 1 1 9 3813 1 1 7 ARG NH1 N 3.248 3.712 -8.212 1.00 . A A . 7 ARG NH1 1 1 9 3814 1 1 7 ARG NH2 N 2.649 5.278 -9.736 1.00 . A A . 7 ARG NH2 1 1 9 3815 1 1 7 ARG O O 1.135 4.406 -1.766 1.00 . A A . 7 ARG O 1 1 9 3816 1 1 8 CYS C C 2.143 0.771 -2.477 1.00 . A A . 8 CYS C 1 1 9 3817 1 1 8 CYS CA C 1.071 1.695 -1.884 1.00 . A A . 8 CYS CA 1 1 9 3818 1 1 8 CYS CB C -0.153 0.892 -1.437 1.00 . A A . 8 CYS CB 1 1 9 3819 1 1 8 CYS H H 0.156 2.265 -3.752 1.00 . A A . 8 CYS H 1 1 9 3820 1 1 8 CYS HA H 1.472 2.250 -1.051 1.00 . A A . 8 CYS HA 1 1 9 3821 1 1 8 CYS HB2 H -0.900 1.566 -1.046 1.00 . A A . 8 CYS HB2 1 1 9 3822 1 1 8 CYS HB3 H -0.559 0.354 -2.280 1.00 . A A . 8 CYS HB3 1 1 9 3823 1 1 8 CYS N N 0.557 2.627 -2.934 1.00 . A A . 8 CYS N 1 1 9 3824 1 1 8 CYS O O 2.194 0.548 -3.672 1.00 . A A . 8 CYS O 1 1 9 3825 1 1 8 CYS SG S 0.326 -0.284 -0.147 1.00 . A A . 8 CYS SG 1 1 9 3826 1 1 9 GLY C C 5.082 -0.960 -1.036 1.00 . A A . 9 GLY C 1 1 9 3827 1 1 9 GLY CA C 4.073 -0.675 -2.155 1.00 . A A . 9 GLY CA 1 1 9 3828 1 1 9 GLY H H 2.938 0.427 -0.687 1.00 . A A . 9 GLY H 1 1 9 3829 1 1 9 GLY HA2 H 3.630 -1.603 -2.487 1.00 . A A . 9 GLY HA2 1 1 9 3830 1 1 9 GLY HA3 H 4.582 -0.203 -2.981 1.00 . A A . 9 GLY HA3 1 1 9 3831 1 1 9 GLY N N 3.001 0.233 -1.646 1.00 . A A . 9 GLY N 1 1 9 3832 1 1 9 GLY O O 6.117 -0.326 -0.964 1.00 . A A . 9 GLY O 1 1 9 3833 1 1 10 PRO C C 6.881 -3.034 0.446 1.00 . A A . 10 PRO C 1 1 9 3834 1 1 10 PRO CA C 5.633 -2.284 0.938 1.00 . A A . 10 PRO CA 1 1 9 3835 1 1 10 PRO CB C 4.756 -3.190 1.798 1.00 . A A . 10 PRO CB 1 1 9 3836 1 1 10 PRO CD C 3.515 -2.717 -0.219 1.00 . A A . 10 PRO CD 1 1 9 3837 1 1 10 PRO CG C 3.734 -3.747 0.859 1.00 . A A . 10 PRO CG 1 1 9 3838 1 1 10 PRO HA H 5.917 -1.409 1.498 1.00 . A A . 10 PRO HA 1 1 9 3839 1 1 10 PRO HB2 H 5.350 -3.986 2.229 1.00 . A A . 10 PRO HB2 1 1 9 3840 1 1 10 PRO HB3 H 4.273 -2.619 2.574 1.00 . A A . 10 PRO HB3 1 1 9 3841 1 1 10 PRO HD2 H 3.392 -3.197 -1.180 1.00 . A A . 10 PRO HD2 1 1 9 3842 1 1 10 PRO HD3 H 2.661 -2.100 0.012 1.00 . A A . 10 PRO HD3 1 1 9 3843 1 1 10 PRO HG2 H 4.098 -4.668 0.424 1.00 . A A . 10 PRO HG2 1 1 9 3844 1 1 10 PRO HG3 H 2.809 -3.925 1.384 1.00 . A A . 10 PRO HG3 1 1 9 3845 1 1 10 PRO N N 4.743 -1.909 -0.195 1.00 . A A . 10 PRO N 1 1 9 3846 1 1 10 PRO O O 7.894 -3.060 1.116 1.00 . A A . 10 PRO O 1 1 9 3847 1 1 11 LYS C C 8.995 -3.392 -1.909 1.00 . A A . 11 LYS C 1 1 9 3848 1 1 11 LYS CA C 8.013 -4.372 -1.243 1.00 . A A . 11 LYS CA 1 1 9 3849 1 1 11 LYS CB C 7.445 -5.356 -2.273 1.00 . A A . 11 LYS CB 1 1 9 3850 1 1 11 LYS CD C 8.912 -7.321 -1.760 1.00 . A A . 11 LYS CD 1 1 9 3851 1 1 11 LYS CE C 9.260 -8.642 -2.458 1.00 . A A . 11 LYS CE 1 1 9 3852 1 1 11 LYS CG C 8.562 -6.259 -2.807 1.00 . A A . 11 LYS CG 1 1 9 3853 1 1 11 LYS H H 5.997 -3.603 -1.245 1.00 . A A . 11 LYS H 1 1 9 3854 1 1 11 LYS HA H 8.502 -4.913 -0.449 1.00 . A A . 11 LYS HA 1 1 9 3855 1 1 11 LYS HB2 H 6.684 -5.964 -1.803 1.00 . A A . 11 LYS HB2 1 1 9 3856 1 1 11 LYS HB3 H 7.009 -4.806 -3.092 1.00 . A A . 11 LYS HB3 1 1 9 3857 1 1 11 LYS HD2 H 9.759 -6.987 -1.179 1.00 . A A . 11 LYS HD2 1 1 9 3858 1 1 11 LYS HD3 H 8.066 -7.476 -1.105 1.00 . A A . 11 LYS HD3 1 1 9 3859 1 1 11 LYS HE2 H 9.590 -8.454 -3.471 1.00 . A A . 11 LYS HE2 1 1 9 3860 1 1 11 LYS HE3 H 10.023 -9.169 -1.906 1.00 . A A . 11 LYS HE3 1 1 9 3861 1 1 11 LYS HG2 H 8.229 -6.744 -3.712 1.00 . A A . 11 LYS HG2 1 1 9 3862 1 1 11 LYS HG3 H 9.437 -5.665 -3.018 1.00 . A A . 11 LYS HG3 1 1 9 3863 1 1 11 LYS HZ1 H 7.759 -9.700 -3.425 1.00 . A A . 11 LYS HZ1 1 1 9 3864 1 1 11 LYS HZ3 H 7.233 -8.859 -2.067 1.00 . A A . 11 LYS HZ3 1 1 9 3865 1 1 11 LYS N N 6.821 -3.637 -0.717 1.00 . A A . 11 LYS N 1 1 9 3866 1 1 11 LYS NZ N 7.995 -9.430 -2.459 1.00 . A A . 11 LYS NZ 1 1 9 3867 1 1 11 LYS O O 10.174 -3.671 -2.027 1.00 . A A . 11 LYS O 1 1 9 3868 1 1 12 MET C C 9.997 -0.259 -1.993 1.00 . A A . 12 MET C 1 1 9 3869 1 1 12 MET CA C 9.415 -1.254 -3.012 1.00 . A A . 12 MET CA 1 1 9 3870 1 1 12 MET CB C 8.516 -0.524 -4.013 1.00 . A A . 12 MET CB 1 1 9 3871 1 1 12 MET CE C 9.368 1.310 -7.483 1.00 . A A . 12 MET CE 1 1 9 3872 1 1 12 MET CG C 9.373 0.340 -4.942 1.00 . A A . 12 MET CG 1 1 9 3873 1 1 12 MET H H 7.563 -2.048 -2.244 1.00 . A A . 12 MET H 1 1 9 3874 1 1 12 MET HA H 10.211 -1.758 -3.536 1.00 . A A . 12 MET HA 1 1 9 3875 1 1 12 MET HB2 H 7.968 -1.248 -4.599 1.00 . A A . 12 MET HB2 1 1 9 3876 1 1 12 MET HB3 H 7.822 0.106 -3.480 1.00 . A A . 12 MET HB3 1 1 9 3877 1 1 12 MET HE1 H 10.294 1.815 -7.243 1.00 . A A . 12 MET HE1 1 1 9 3878 1 1 12 MET HE2 H 9.574 0.292 -7.782 1.00 . A A . 12 MET HE2 1 1 9 3879 1 1 12 MET HE3 H 8.879 1.828 -8.293 1.00 . A A . 12 MET HE3 1 1 9 3880 1 1 12 MET HG2 H 9.981 1.010 -4.352 1.00 . A A . 12 MET HG2 1 1 9 3881 1 1 12 MET HG3 H 10.010 -0.295 -5.538 1.00 . A A . 12 MET HG3 1 1 9 3882 1 1 12 MET N N 8.517 -2.250 -2.347 1.00 . A A . 12 MET N 1 1 9 3883 1 1 12 MET O O 11.089 0.248 -2.177 1.00 . A A . 12 MET O 1 1 9 3884 1 1 12 MET SD S 8.292 1.305 -6.029 1.00 . A A . 12 MET SD 1 1 9 3885 1 1 13 ASP C C 10.005 0.350 1.443 1.00 . A A . 13 ASP C 1 1 9 3886 1 1 13 ASP CA C 9.809 1.017 0.075 1.00 . A A . 13 ASP CA 1 1 9 3887 1 1 13 ASP CB C 8.743 2.114 0.166 1.00 . A A . 13 ASP CB 1 1 9 3888 1 1 13 ASP CG C 8.569 2.784 -1.202 1.00 . A A . 13 ASP CG 1 1 9 3889 1 1 13 ASP H H 8.396 -0.368 -0.798 1.00 . A A . 13 ASP H 1 1 9 3890 1 1 13 ASP HA H 10.738 1.441 -0.269 1.00 . A A . 13 ASP HA 1 1 9 3891 1 1 13 ASP HB2 H 7.805 1.677 0.476 1.00 . A A . 13 ASP HB2 1 1 9 3892 1 1 13 ASP HB3 H 9.051 2.853 0.889 1.00 . A A . 13 ASP HB3 1 1 9 3893 1 1 13 ASP N N 9.281 0.039 -0.931 1.00 . A A . 13 ASP N 1 1 9 3894 1 1 13 ASP O O 10.811 0.793 2.240 1.00 . A A . 13 ASP O 1 1 9 3895 1 1 13 ASP OD1 O 9.283 3.736 -1.469 1.00 . A A . 13 ASP OD1 1 1 9 3896 1 1 13 ASP OD2 O 7.724 2.330 -1.958 1.00 . A A . 13 ASP OD2 1 1 9 3897 1 1 14 GLY C C 8.268 -0.962 3.980 1.00 . A A . 14 GLY C 1 1 9 3898 1 1 14 GLY CA C 9.412 -1.382 3.046 1.00 . A A . 14 GLY CA 1 1 9 3899 1 1 14 GLY H H 8.623 -1.035 1.075 1.00 . A A . 14 GLY H 1 1 9 3900 1 1 14 GLY HA2 H 9.381 -2.452 2.899 1.00 . A A . 14 GLY HA2 1 1 9 3901 1 1 14 GLY HA3 H 10.355 -1.110 3.494 1.00 . A A . 14 GLY HA3 1 1 9 3902 1 1 14 GLY N N 9.271 -0.698 1.726 1.00 . A A . 14 GLY N 1 1 9 3903 1 1 14 GLY O O 8.202 -1.399 5.114 1.00 . A A . 14 GLY O 1 1 9 3904 1 1 15 VAL C C 4.892 -0.021 3.724 1.00 . A A . 15 VAL C 1 1 9 3905 1 1 15 VAL CA C 6.233 0.317 4.391 1.00 . A A . 15 VAL CA 1 1 9 3906 1 1 15 VAL CB C 6.393 1.837 4.538 1.00 . A A . 15 VAL CB 1 1 9 3907 1 1 15 VAL CG1 C 5.219 2.402 5.348 1.00 . A A . 15 VAL CG1 1 1 9 3908 1 1 15 VAL CG2 C 7.702 2.150 5.271 1.00 . A A . 15 VAL CG2 1 1 9 3909 1 1 15 VAL H H 7.434 0.221 2.600 1.00 . A A . 15 VAL H 1 1 9 3910 1 1 15 VAL HA H 6.302 -0.153 5.359 1.00 . A A . 15 VAL HA 1 1 9 3911 1 1 15 VAL HB H 6.406 2.294 3.559 1.00 . A A . 15 VAL HB 1 1 9 3912 1 1 15 VAL HG11 H 4.347 1.781 5.206 1.00 . A A . 15 VAL HG11 1 1 9 3913 1 1 15 VAL HG12 H 5.478 2.419 6.396 1.00 . A A . 15 VAL HG12 1 1 9 3914 1 1 15 VAL HG13 H 5.001 3.407 5.015 1.00 . A A . 15 VAL HG13 1 1 9 3915 1 1 15 VAL HG21 H 7.628 1.822 6.298 1.00 . A A . 15 VAL HG21 1 1 9 3916 1 1 15 VAL HG22 H 8.518 1.635 4.788 1.00 . A A . 15 VAL HG22 1 1 9 3917 1 1 15 VAL HG23 H 7.882 3.214 5.246 1.00 . A A . 15 VAL HG23 1 1 9 3918 1 1 15 VAL N N 7.367 -0.120 3.519 1.00 . A A . 15 VAL N 1 1 9 3919 1 1 15 VAL O O 4.605 0.448 2.639 1.00 . A A . 15 VAL O 1 1 9 3920 1 1 16 PRO C C 1.744 -0.131 4.165 1.00 . A A . 16 PRO C 1 1 9 3921 1 1 16 PRO CA C 2.782 -1.226 3.879 1.00 . A A . 16 PRO CA 1 1 9 3922 1 1 16 PRO CB C 2.448 -2.475 4.686 1.00 . A A . 16 PRO CB 1 1 9 3923 1 1 16 PRO CD C 4.398 -1.442 5.705 1.00 . A A . 16 PRO CD 1 1 9 3924 1 1 16 PRO CG C 3.213 -2.336 5.967 1.00 . A A . 16 PRO CG 1 1 9 3925 1 1 16 PRO HA H 2.830 -1.457 2.828 1.00 . A A . 16 PRO HA 1 1 9 3926 1 1 16 PRO HB2 H 1.385 -2.519 4.883 1.00 . A A . 16 PRO HB2 1 1 9 3927 1 1 16 PRO HB3 H 2.769 -3.360 4.159 1.00 . A A . 16 PRO HB3 1 1 9 3928 1 1 16 PRO HD2 H 4.477 -0.686 6.475 1.00 . A A . 16 PRO HD2 1 1 9 3929 1 1 16 PRO HD3 H 5.307 -2.022 5.648 1.00 . A A . 16 PRO HD3 1 1 9 3930 1 1 16 PRO HG2 H 2.578 -1.892 6.724 1.00 . A A . 16 PRO HG2 1 1 9 3931 1 1 16 PRO HG3 H 3.556 -3.303 6.300 1.00 . A A . 16 PRO HG3 1 1 9 3932 1 1 16 PRO N N 4.112 -0.825 4.403 1.00 . A A . 16 PRO N 1 1 9 3933 1 1 16 PRO O O 2.034 0.846 4.830 1.00 . A A . 16 PRO O 1 1 9 3934 1 1 17 CYS C C -0.793 0.742 5.493 1.00 . A A . 17 CYS C 1 1 9 3935 1 1 17 CYS CA C -0.525 0.716 3.984 1.00 . A A . 17 CYS CA 1 1 9 3936 1 1 17 CYS CB C -1.768 0.247 3.225 1.00 . A A . 17 CYS CB 1 1 9 3937 1 1 17 CYS H H 0.307 -1.106 3.182 1.00 . A A . 17 CYS H 1 1 9 3938 1 1 17 CYS HA H -0.221 1.689 3.637 1.00 . A A . 17 CYS HA 1 1 9 3939 1 1 17 CYS HB2 H -1.475 -0.147 2.262 1.00 . A A . 17 CYS HB2 1 1 9 3940 1 1 17 CYS HB3 H -2.268 -0.523 3.793 1.00 . A A . 17 CYS HB3 1 1 9 3941 1 1 17 CYS N N 0.529 -0.302 3.698 1.00 . A A . 17 CYS N 1 1 9 3942 1 1 17 CYS O O -0.421 -0.172 6.206 1.00 . A A . 17 CYS O 1 1 9 3943 1 1 17 CYS SG S -2.890 1.648 2.990 1.00 . A A . 17 CYS SG 1 1 9 3944 1 1 18 CYS C C -2.441 0.592 7.946 1.00 . A A . 18 CYS C 1 1 9 3945 1 1 18 CYS CA C -1.686 1.843 7.466 1.00 . A A . 18 CYS CA 1 1 9 3946 1 1 18 CYS CB C -2.512 3.110 7.682 1.00 . A A . 18 CYS CB 1 1 9 3947 1 1 18 CYS H H -1.703 2.514 5.403 1.00 . A A . 18 CYS H 1 1 9 3948 1 1 18 CYS HA H -0.755 1.928 8.002 1.00 . A A . 18 CYS HA 1 1 9 3949 1 1 18 CYS HB2 H -2.622 3.637 6.744 1.00 . A A . 18 CYS HB2 1 1 9 3950 1 1 18 CYS HB3 H -3.487 2.850 8.067 1.00 . A A . 18 CYS HB3 1 1 9 3951 1 1 18 CYS N N -1.419 1.778 5.992 1.00 . A A . 18 CYS N 1 1 9 3952 1 1 18 CYS O O -3.095 -0.085 7.178 1.00 . A A . 18 CYS O 1 1 9 3953 1 1 18 CYS SG S -1.653 4.168 8.873 1.00 . A A . 18 CYS SG 1 1 9 3954 1 1 19 GLU C C -4.496 -1.003 9.456 1.00 . A A . 19 GLU C 1 1 9 3955 1 1 19 GLU CA C -2.993 -0.940 9.784 1.00 . A A . 19 GLU CA 1 1 9 3956 1 1 19 GLU CB C -2.776 -0.850 11.297 1.00 . A A . 19 GLU CB 1 1 9 3957 1 1 19 GLU CD C -0.807 -0.934 12.836 1.00 . A A . 19 GLU CD 1 1 9 3958 1 1 19 GLU CG C -1.523 -1.641 11.683 1.00 . A A . 19 GLU CG 1 1 9 3959 1 1 19 GLU H H -1.769 0.840 9.800 1.00 . A A . 19 GLU H 1 1 9 3960 1 1 19 GLU HA H -2.511 -1.826 9.408 1.00 . A A . 19 GLU HA 1 1 9 3961 1 1 19 GLU HB2 H -2.652 0.185 11.582 1.00 . A A . 19 GLU HB2 1 1 9 3962 1 1 19 GLU HB3 H -3.632 -1.264 11.809 1.00 . A A . 19 GLU HB3 1 1 9 3963 1 1 19 GLU HG2 H -1.806 -2.637 11.989 1.00 . A A . 19 GLU HG2 1 1 9 3964 1 1 19 GLU HG3 H -0.860 -1.702 10.833 1.00 . A A . 19 GLU HG3 1 1 9 3965 1 1 19 GLU N N -2.322 0.278 9.216 1.00 . A A . 19 GLU N 1 1 9 3966 1 1 19 GLU O O -4.981 -2.055 9.083 1.00 . A A . 19 GLU O 1 1 9 3967 1 1 19 GLU OE1 O 0.036 -0.095 12.558 1.00 . A A . 19 GLU OE1 1 1 9 3968 1 1 19 GLU OE2 O -1.113 -1.241 13.976 1.00 . A A . 19 GLU OE2 1 1 9 3969 1 1 20 PRO C C -6.921 -0.108 7.779 1.00 . A A . 20 PRO C 1 1 9 3970 1 1 20 PRO CA C -6.656 0.111 9.283 1.00 . A A . 20 PRO CA 1 1 9 3971 1 1 20 PRO CB C -7.113 1.497 9.735 1.00 . A A . 20 PRO CB 1 1 9 3972 1 1 20 PRO CD C -4.733 1.430 10.034 1.00 . A A . 20 PRO CD 1 1 9 3973 1 1 20 PRO CG C -5.880 2.338 9.690 1.00 . A A . 20 PRO CG 1 1 9 3974 1 1 20 PRO HA H -7.162 -0.644 9.864 1.00 . A A . 20 PRO HA 1 1 9 3975 1 1 20 PRO HB2 H -7.863 1.884 9.057 1.00 . A A . 20 PRO HB2 1 1 9 3976 1 1 20 PRO HB3 H -7.497 1.457 10.741 1.00 . A A . 20 PRO HB3 1 1 9 3977 1 1 20 PRO HD2 H -3.846 1.729 9.496 1.00 . A A . 20 PRO HD2 1 1 9 3978 1 1 20 PRO HD3 H -4.553 1.428 11.097 1.00 . A A . 20 PRO HD3 1 1 9 3979 1 1 20 PRO HG2 H -5.748 2.749 8.699 1.00 . A A . 20 PRO HG2 1 1 9 3980 1 1 20 PRO HG3 H -5.947 3.133 10.417 1.00 . A A . 20 PRO HG3 1 1 9 3981 1 1 20 PRO N N -5.198 0.105 9.592 1.00 . A A . 20 PRO N 1 1 9 3982 1 1 20 PRO O O -8.059 -0.153 7.352 1.00 . A A . 20 PRO O 1 1 9 3983 1 1 21 TYR C C -5.134 -1.587 5.022 1.00 . A A . 21 TYR C 1 1 9 3984 1 1 21 TYR CA C -6.092 -0.492 5.511 1.00 . A A . 21 TYR CA 1 1 9 3985 1 1 21 TYR CB C -5.773 0.847 4.833 1.00 . A A . 21 TYR CB 1 1 9 3986 1 1 21 TYR CD1 C -8.024 1.966 5.084 1.00 . A A . 21 TYR CD1 1 1 9 3987 1 1 21 TYR CD2 C -6.110 2.912 6.232 1.00 . A A . 21 TYR CD2 1 1 9 3988 1 1 21 TYR CE1 C -8.839 2.975 5.612 1.00 . A A . 21 TYR CE1 1 1 9 3989 1 1 21 TYR CE2 C -6.923 3.919 6.760 1.00 . A A . 21 TYR CE2 1 1 9 3990 1 1 21 TYR CG C -6.659 1.935 5.394 1.00 . A A . 21 TYR CG 1 1 9 3991 1 1 21 TYR CZ C -8.289 3.951 6.451 1.00 . A A . 21 TYR CZ 1 1 9 3992 1 1 21 TYR H H -4.976 -0.232 7.337 1.00 . A A . 21 TYR H 1 1 9 3993 1 1 21 TYR HA H -7.115 -0.772 5.314 1.00 . A A . 21 TYR HA 1 1 9 3994 1 1 21 TYR HB2 H -4.738 1.100 5.009 1.00 . A A . 21 TYR HB2 1 1 9 3995 1 1 21 TYR HB3 H -5.943 0.758 3.771 1.00 . A A . 21 TYR HB3 1 1 9 3996 1 1 21 TYR HD1 H -8.447 1.212 4.435 1.00 . A A . 21 TYR HD1 1 1 9 3997 1 1 21 TYR HD2 H -5.058 2.887 6.471 1.00 . A A . 21 TYR HD2 1 1 9 3998 1 1 21 TYR HE1 H -9.891 2.999 5.372 1.00 . A A . 21 TYR HE1 1 1 9 3999 1 1 21 TYR HE2 H -6.498 4.671 7.407 1.00 . A A . 21 TYR HE2 1 1 9 4000 1 1 21 TYR HH H -8.900 5.024 7.912 1.00 . A A . 21 TYR HH 1 1 9 4001 1 1 21 TYR N N -5.888 -0.260 6.977 1.00 . A A . 21 TYR N 1 1 9 4002 1 1 21 TYR O O -4.241 -2.006 5.733 1.00 . A A . 21 TYR O 1 1 9 4003 1 1 21 TYR OH O -9.092 4.947 6.974 1.00 . A A . 21 TYR OH 1 1 9 4004 1 1 22 THR C C -3.923 -2.776 1.878 1.00 . A A . 22 THR C 1 1 9 4005 1 1 22 THR CA C -4.417 -3.131 3.283 1.00 . A A . 22 THR CA 1 1 9 4006 1 1 22 THR CB C -5.275 -4.402 3.241 1.00 . A A . 22 THR CB 1 1 9 4007 1 1 22 THR CG2 C -5.422 -4.972 4.654 1.00 . A A . 22 THR CG2 1 1 9 4008 1 1 22 THR H H -6.044 -1.712 3.256 1.00 . A A . 22 THR H 1 1 9 4009 1 1 22 THR HA H -3.578 -3.280 3.946 1.00 . A A . 22 THR HA 1 1 9 4010 1 1 22 THR HB H -4.794 -5.135 2.612 1.00 . A A . 22 THR HB 1 1 9 4011 1 1 22 THR HG1 H -6.523 -4.190 1.760 1.00 . A A . 22 THR HG1 1 1 9 4012 1 1 22 THR HG21 H -4.545 -5.553 4.899 1.00 . A A . 22 THR HG21 1 1 9 4013 1 1 22 THR HG22 H -5.525 -4.163 5.362 1.00 . A A . 22 THR HG22 1 1 9 4014 1 1 22 THR HG23 H -6.296 -5.603 4.698 1.00 . A A . 22 THR HG23 1 1 9 4015 1 1 22 THR N N -5.317 -2.059 3.813 1.00 . A A . 22 THR N 1 1 9 4016 1 1 22 THR O O -4.562 -2.038 1.150 1.00 . A A . 22 THR O 1 1 9 4017 1 1 22 THR OG1 O -6.563 -4.098 2.714 1.00 . A A . 22 THR OG1 1 1 9 4018 1 1 23 CYS C C -2.737 -4.076 -0.867 1.00 . A A . 23 CYS C 1 1 9 4019 1 1 23 CYS CA C -2.246 -3.019 0.129 1.00 . A A . 23 CYS CA 1 1 9 4020 1 1 23 CYS CB C -0.725 -3.087 0.283 1.00 . A A . 23 CYS CB 1 1 9 4021 1 1 23 CYS H H -2.302 -3.907 2.095 1.00 . A A . 23 CYS H 1 1 9 4022 1 1 23 CYS HA H -2.540 -2.032 -0.191 1.00 . A A . 23 CYS HA 1 1 9 4023 1 1 23 CYS HB2 H -0.444 -2.701 1.254 1.00 . A A . 23 CYS HB2 1 1 9 4024 1 1 23 CYS HB3 H -0.398 -4.111 0.196 1.00 . A A . 23 CYS HB3 1 1 9 4025 1 1 23 CYS N N -2.791 -3.309 1.491 1.00 . A A . 23 CYS N 1 1 9 4026 1 1 23 CYS O O -3.064 -5.187 -0.494 1.00 . A A . 23 CYS O 1 1 9 4027 1 1 23 CYS SG S 0.059 -2.091 -1.009 1.00 . A A . 23 CYS SG 1 1 9 4028 1 1 24 THR C C -2.090 -5.482 -3.762 1.00 . A A . 24 THR C 1 1 9 4029 1 1 24 THR CA C -3.271 -4.721 -3.151 1.00 . A A . 24 THR CA 1 1 9 4030 1 1 24 THR CB C -3.980 -3.880 -4.220 1.00 . A A . 24 THR CB 1 1 9 4031 1 1 24 THR CG2 C -4.552 -4.800 -5.300 1.00 . A A . 24 THR CG2 1 1 9 4032 1 1 24 THR H H -2.527 -2.835 -2.408 1.00 . A A . 24 THR H 1 1 9 4033 1 1 24 THR HA H -3.968 -5.410 -2.708 1.00 . A A . 24 THR HA 1 1 9 4034 1 1 24 THR HB H -3.272 -3.201 -4.670 1.00 . A A . 24 THR HB 1 1 9 4035 1 1 24 THR HG1 H -5.671 -3.759 -3.257 1.00 . A A . 24 THR HG1 1 1 9 4036 1 1 24 THR HG21 H -3.758 -5.117 -5.959 1.00 . A A . 24 THR HG21 1 1 9 4037 1 1 24 THR HG22 H -5.001 -5.666 -4.836 1.00 . A A . 24 THR HG22 1 1 9 4038 1 1 24 THR HG23 H -5.301 -4.268 -5.867 1.00 . A A . 24 THR HG23 1 1 9 4039 1 1 24 THR N N -2.794 -3.738 -2.130 1.00 . A A . 24 THR N 1 1 9 4040 1 1 24 THR O O -2.141 -6.686 -3.934 1.00 . A A . 24 THR O 1 1 9 4041 1 1 24 THR OG1 O -5.034 -3.137 -3.619 1.00 . A A . 24 THR OG1 1 1 9 4042 1 1 25 SER C C 1.436 -5.089 -3.942 1.00 . A A . 25 SER C 1 1 9 4043 1 1 25 SER CA C 0.155 -5.460 -4.703 1.00 . A A . 25 SER CA 1 1 9 4044 1 1 25 SER CB C 0.213 -4.935 -6.138 1.00 . A A . 25 SER CB 1 1 9 4045 1 1 25 SER H H -1.025 -3.822 -3.947 1.00 . A A . 25 SER H 1 1 9 4046 1 1 25 SER HA H 0.020 -6.530 -4.711 1.00 . A A . 25 SER HA 1 1 9 4047 1 1 25 SER HB2 H 0.126 -3.862 -6.134 1.00 . A A . 25 SER HB2 1 1 9 4048 1 1 25 SER HB3 H 1.158 -5.216 -6.585 1.00 . A A . 25 SER HB3 1 1 9 4049 1 1 25 SER HG H -0.492 -6.015 -7.596 1.00 . A A . 25 SER HG 1 1 9 4050 1 1 25 SER N N -1.034 -4.787 -4.095 1.00 . A A . 25 SER N 1 1 9 4051 1 1 25 SER O O 1.410 -4.323 -2.996 1.00 . A A . 25 SER O 1 1 9 4052 1 1 25 SER OG O -0.863 -5.488 -6.885 1.00 . A A . 25 SER OG 1 1 9 4053 1 1 26 ASP C C 4.569 -4.168 -4.355 1.00 . A A . 26 ASP C 1 1 9 4054 1 1 26 ASP CA C 3.845 -5.329 -3.661 1.00 . A A . 26 ASP CA 1 1 9 4055 1 1 26 ASP CB C 4.669 -6.616 -3.776 1.00 . A A . 26 ASP CB 1 1 9 4056 1 1 26 ASP CG C 4.255 -7.590 -2.669 1.00 . A A . 26 ASP CG 1 1 9 4057 1 1 26 ASP H H 2.545 -6.250 -5.115 1.00 . A A . 26 ASP H 1 1 9 4058 1 1 26 ASP HA H 3.671 -5.096 -2.622 1.00 . A A . 26 ASP HA 1 1 9 4059 1 1 26 ASP HB2 H 4.492 -7.070 -4.741 1.00 . A A . 26 ASP HB2 1 1 9 4060 1 1 26 ASP HB3 H 5.717 -6.384 -3.676 1.00 . A A . 26 ASP HB3 1 1 9 4061 1 1 26 ASP N N 2.555 -5.635 -4.351 1.00 . A A . 26 ASP N 1 1 9 4062 1 1 26 ASP O O 5.140 -3.310 -3.709 1.00 . A A . 26 ASP O 1 1 9 4063 1 1 26 ASP OD1 O 3.332 -8.356 -2.896 1.00 . A A . 26 ASP OD1 1 1 9 4064 1 1 26 ASP OD2 O 4.867 -7.553 -1.615 1.00 . A A . 26 ASP OD2 1 1 9 4065 1 1 27 TYR C C 4.247 -1.908 -6.722 1.00 . A A . 27 TYR C 1 1 9 4066 1 1 27 TYR CA C 5.236 -3.035 -6.410 1.00 . A A . 27 TYR CA 1 1 9 4067 1 1 27 TYR CB C 5.743 -3.678 -7.705 1.00 . A A . 27 TYR CB 1 1 9 4068 1 1 27 TYR CD1 C 7.376 -5.256 -6.606 1.00 . A A . 27 TYR CD1 1 1 9 4069 1 1 27 TYR CD2 C 8.212 -3.640 -8.209 1.00 . A A . 27 TYR CD2 1 1 9 4070 1 1 27 TYR CE1 C 8.673 -5.744 -6.419 1.00 . A A . 27 TYR CE1 1 1 9 4071 1 1 27 TYR CE2 C 9.511 -4.128 -8.023 1.00 . A A . 27 TYR CE2 1 1 9 4072 1 1 27 TYR CG C 7.144 -4.204 -7.501 1.00 . A A . 27 TYR CG 1 1 9 4073 1 1 27 TYR CZ C 9.742 -5.179 -7.128 1.00 . A A . 27 TYR CZ 1 1 9 4074 1 1 27 TYR H H 4.082 -4.840 -6.165 1.00 . A A . 27 TYR H 1 1 9 4075 1 1 27 TYR HA H 6.065 -2.656 -5.840 1.00 . A A . 27 TYR HA 1 1 9 4076 1 1 27 TYR HB2 H 5.091 -4.496 -7.980 1.00 . A A . 27 TYR HB2 1 1 9 4077 1 1 27 TYR HB3 H 5.748 -2.943 -8.495 1.00 . A A . 27 TYR HB3 1 1 9 4078 1 1 27 TYR HD1 H 6.553 -5.691 -6.059 1.00 . A A . 27 TYR HD1 1 1 9 4079 1 1 27 TYR HD2 H 8.034 -2.828 -8.899 1.00 . A A . 27 TYR HD2 1 1 9 4080 1 1 27 TYR HE1 H 8.851 -6.555 -5.729 1.00 . A A . 27 TYR HE1 1 1 9 4081 1 1 27 TYR HE2 H 10.334 -3.693 -8.570 1.00 . A A . 27 TYR HE2 1 1 9 4082 1 1 27 TYR HH H 11.471 -5.085 -6.322 1.00 . A A . 27 TYR HH 1 1 9 4083 1 1 27 TYR N N 4.549 -4.137 -5.667 1.00 . A A . 27 TYR N 1 1 9 4084 1 1 27 TYR O O 4.420 -0.783 -6.293 1.00 . A A . 27 TYR O 1 1 9 4085 1 1 27 TYR OH O 11.022 -5.662 -6.945 1.00 . A A . 27 TYR OH 1 1 9 4086 1 1 28 TYR C C 0.819 -1.593 -7.319 1.00 . A A . 28 TYR C 1 1 9 4087 1 1 28 TYR CA C 2.201 -1.166 -7.819 1.00 . A A . 28 TYR CA 1 1 9 4088 1 1 28 TYR CB C 2.219 -1.078 -9.350 1.00 . A A . 28 TYR CB 1 1 9 4089 1 1 28 TYR CD1 C 4.231 0.439 -9.470 1.00 . A A . 28 TYR CD1 1 1 9 4090 1 1 28 TYR CD2 C 4.311 -1.699 -10.611 1.00 . A A . 28 TYR CD2 1 1 9 4091 1 1 28 TYR CE1 C 5.531 0.719 -9.901 1.00 . A A . 28 TYR CE1 1 1 9 4092 1 1 28 TYR CE2 C 5.610 -1.419 -11.045 1.00 . A A . 28 TYR CE2 1 1 9 4093 1 1 28 TYR CG C 3.621 -0.770 -9.824 1.00 . A A . 28 TYR CG 1 1 9 4094 1 1 28 TYR CZ C 6.222 -0.210 -10.690 1.00 . A A . 28 TYR CZ 1 1 9 4095 1 1 28 TYR H H 3.106 -3.124 -7.796 1.00 . A A . 28 TYR H 1 1 9 4096 1 1 28 TYR HA H 2.477 -0.215 -7.392 1.00 . A A . 28 TYR HA 1 1 9 4097 1 1 28 TYR HB2 H 1.897 -2.020 -9.769 1.00 . A A . 28 TYR HB2 1 1 9 4098 1 1 28 TYR HB3 H 1.551 -0.294 -9.672 1.00 . A A . 28 TYR HB3 1 1 9 4099 1 1 28 TYR HD1 H 3.697 1.154 -8.863 1.00 . A A . 28 TYR HD1 1 1 9 4100 1 1 28 TYR HD2 H 3.838 -2.631 -10.886 1.00 . A A . 28 TYR HD2 1 1 9 4101 1 1 28 TYR HE1 H 6.000 1.651 -9.627 1.00 . A A . 28 TYR HE1 1 1 9 4102 1 1 28 TYR HE2 H 6.142 -2.135 -11.654 1.00 . A A . 28 TYR HE2 1 1 9 4103 1 1 28 TYR HH H 8.109 -0.166 -10.403 1.00 . A A . 28 TYR HH 1 1 9 4104 1 1 28 TYR N N 3.214 -2.209 -7.467 1.00 . A A . 28 TYR N 1 1 9 4105 1 1 28 TYR O O 0.108 -2.329 -7.980 1.00 . A A . 28 TYR O 1 1 9 4106 1 1 28 TYR OH O 7.506 0.065 -11.114 1.00 . A A . 28 TYR OH 1 1 9 4107 1 1 29 GLY C C -1.534 -0.299 -4.930 1.00 . A A . 29 GLY C 1 1 9 4108 1 1 29 GLY CA C -0.894 -1.517 -5.596 1.00 . A A . 29 GLY CA 1 1 9 4109 1 1 29 GLY H H 1.033 -0.553 -5.638 1.00 . A A . 29 GLY H 1 1 9 4110 1 1 29 GLY HA2 H -1.532 -1.870 -6.393 1.00 . A A . 29 GLY HA2 1 1 9 4111 1 1 29 GLY HA3 H -0.768 -2.297 -4.864 1.00 . A A . 29 GLY HA3 1 1 9 4112 1 1 29 GLY N N 0.439 -1.141 -6.152 1.00 . A A . 29 GLY N 1 1 9 4113 1 1 29 GLY O O -0.862 0.650 -4.571 1.00 . A A . 29 GLY O 1 1 9 4114 1 1 30 ASN C C -4.076 0.430 -2.747 1.00 . A A . 30 ASN C 1 1 9 4115 1 1 30 ASN CA C -3.525 0.833 -4.117 1.00 . A A . 30 ASN CA 1 1 9 4116 1 1 30 ASN CB C -4.667 1.197 -5.067 1.00 . A A . 30 ASN CB 1 1 9 4117 1 1 30 ASN CG C -4.181 2.244 -6.073 1.00 . A A . 30 ASN CG 1 1 9 4118 1 1 30 ASN H H -3.351 -1.099 -5.057 1.00 . A A . 30 ASN H 1 1 9 4119 1 1 30 ASN HA H -2.850 1.668 -4.018 1.00 . A A . 30 ASN HA 1 1 9 4120 1 1 30 ASN HB2 H -4.994 0.313 -5.594 1.00 . A A . 30 ASN HB2 1 1 9 4121 1 1 30 ASN HB3 H -5.492 1.603 -4.500 1.00 . A A . 30 ASN HB3 1 1 9 4122 1 1 30 ASN HD21 H -5.196 3.731 -5.234 1.00 . A A . 30 ASN HD21 1 1 9 4123 1 1 30 ASN HD22 H -4.282 4.157 -6.599 1.00 . A A . 30 ASN HD22 1 1 9 4124 1 1 30 ASN N N -2.832 -0.322 -4.761 1.00 . A A . 30 ASN N 1 1 9 4125 1 1 30 ASN ND2 N -4.585 3.480 -5.959 1.00 . A A . 30 ASN ND2 1 1 9 4126 1 1 30 ASN O O -3.974 -0.711 -2.331 1.00 . A A . 30 ASN O 1 1 9 4127 1 1 30 ASN OD1 O -3.424 1.935 -6.972 1.00 . A A . 30 ASN OD1 1 1 9 4128 1 1 31 CYS C C -6.602 1.712 -0.551 1.00 . A A . 31 CYS C 1 1 9 4129 1 1 31 CYS CA C -5.223 1.061 -0.698 1.00 . A A . 31 CYS CA 1 1 9 4130 1 1 31 CYS CB C -4.226 1.670 0.287 1.00 . A A . 31 CYS CB 1 1 9 4131 1 1 31 CYS H H -4.725 2.276 -2.403 1.00 . A A . 31 CYS H 1 1 9 4132 1 1 31 CYS HA H -5.289 -0.005 -0.546 1.00 . A A . 31 CYS HA 1 1 9 4133 1 1 31 CYS HB2 H -3.221 1.509 -0.073 1.00 . A A . 31 CYS HB2 1 1 9 4134 1 1 31 CYS HB3 H -4.411 2.730 0.378 1.00 . A A . 31 CYS HB3 1 1 9 4135 1 1 31 CYS N N -4.659 1.365 -2.044 1.00 . A A . 31 CYS N 1 1 9 4136 1 1 31 CYS O O -6.878 2.736 -1.148 1.00 . A A . 31 CYS O 1 1 9 4137 1 1 31 CYS SG S -4.412 0.887 1.904 1.00 . A A . 31 CYS SG 1 1 9 4138 1 1 32 SER C C -9.527 1.094 1.638 1.00 . A A . 32 SER C 1 1 9 4139 1 1 32 SER CA C -8.835 1.721 0.420 1.00 . A A . 32 SER CA 1 1 9 4140 1 1 32 SER CB C -9.605 1.403 -0.871 1.00 . A A . 32 SER CB 1 1 9 4141 1 1 32 SER H H -7.229 0.303 0.706 1.00 . A A . 32 SER H 1 1 9 4142 1 1 32 SER HA H -8.759 2.790 0.545 1.00 . A A . 32 SER HA 1 1 9 4143 1 1 32 SER HB2 H -10.662 1.521 -0.701 1.00 . A A . 32 SER HB2 1 1 9 4144 1 1 32 SER HB3 H -9.293 2.088 -1.651 1.00 . A A . 32 SER HB3 1 1 9 4145 1 1 32 SER HG H -10.133 -0.278 -1.700 1.00 . A A . 32 SER HG 1 1 9 4146 1 1 32 SER N N -7.471 1.130 0.236 1.00 . A A . 32 SER N 1 1 9 4147 1 1 32 SER O O -9.824 1.831 2.563 1.00 . A A . 32 SER O 1 1 9 4148 1 1 32 SER OXT O -9.744 -0.108 1.628 1.00 . A A . 32 SER OXT 1 1 9 4149 1 1 32 SER OG O -9.344 0.061 -1.271 1.00 . A A . 32 SER OG 1 1 10 4150 1 1 1 CYS C C 1.679 4.847 5.871 1.00 . A A . 1 CYS C 1 1 10 4151 1 1 1 CYS CA C 2.240 4.029 7.039 1.00 . A A . 1 CYS CA 1 1 10 4152 1 1 1 CYS CB C 1.112 3.479 7.916 1.00 . A A . 1 CYS CB 1 1 10 4153 1 1 1 CYS H1 H 3.163 5.828 7.525 1.00 . A A . 1 CYS H1 1 1 10 4154 1 1 1 CYS H2 H 2.614 4.964 8.859 1.00 . A A . 1 CYS H2 1 1 10 4155 1 1 1 CYS H3 H 2.680 6.305 5.365 1.00 . A A . 1 CYS H3 1 1 10 4156 1 1 1 CYS HA H 2.827 3.210 6.662 1.00 . A A . 1 CYS HA 1 1 10 4157 1 1 1 CYS HB2 H 0.537 2.770 7.342 1.00 . A A . 1 CYS HB2 1 1 10 4158 1 1 1 CYS HB3 H 1.541 2.979 8.772 1.00 . A A . 1 CYS HB3 1 1 10 4159 1 1 1 CYS N N 3.070 4.889 7.938 1.00 . A A . 1 CYS N 1 1 10 4160 1 1 1 CYS O O 1.797 6.059 5.834 1.00 . A A . 1 CYS O 1 1 10 4161 1 1 1 CYS SG S 0.031 4.827 8.479 1.00 . A A . 1 CYS SG 1 1 10 4162 1 1 2 ILE C C -0.986 5.169 3.938 1.00 . A A . 2 ILE C 1 1 10 4163 1 1 2 ILE CA C 0.513 4.919 3.737 1.00 . A A . 2 ILE CA 1 1 10 4164 1 1 2 ILE CB C 0.754 3.990 2.540 1.00 . A A . 2 ILE CB 1 1 10 4165 1 1 2 ILE CD1 C 2.917 2.733 2.656 1.00 . A A . 2 ILE CD1 1 1 10 4166 1 1 2 ILE CG1 C 2.242 4.015 2.168 1.00 . A A . 2 ILE CG1 1 1 10 4167 1 1 2 ILE CG2 C -0.075 4.459 1.338 1.00 . A A . 2 ILE CG2 1 1 10 4168 1 1 2 ILE H H 0.997 3.212 4.964 1.00 . A A . 2 ILE H 1 1 10 4169 1 1 2 ILE HA H 1.035 5.850 3.590 1.00 . A A . 2 ILE HA 1 1 10 4170 1 1 2 ILE HB H 0.463 2.983 2.805 1.00 . A A . 2 ILE HB 1 1 10 4171 1 1 2 ILE HD11 H 3.803 2.987 3.221 1.00 . A A . 2 ILE HD11 1 1 10 4172 1 1 2 ILE HD12 H 2.235 2.183 3.286 1.00 . A A . 2 ILE HD12 1 1 10 4173 1 1 2 ILE HD13 H 3.195 2.126 1.807 1.00 . A A . 2 ILE HD13 1 1 10 4174 1 1 2 ILE HG12 H 2.343 4.089 1.093 1.00 . A A . 2 ILE HG12 1 1 10 4175 1 1 2 ILE HG13 H 2.714 4.868 2.631 1.00 . A A . 2 ILE HG13 1 1 10 4176 1 1 2 ILE HG21 H 0.127 5.502 1.146 1.00 . A A . 2 ILE HG21 1 1 10 4177 1 1 2 ILE HG22 H 0.190 3.875 0.469 1.00 . A A . 2 ILE HG22 1 1 10 4178 1 1 2 ILE HG23 H -1.125 4.329 1.552 1.00 . A A . 2 ILE HG23 1 1 10 4179 1 1 2 ILE N N 1.076 4.190 4.912 1.00 . A A . 2 ILE N 1 1 10 4180 1 1 2 ILE O O -1.695 4.306 4.419 1.00 . A A . 2 ILE O 1 1 10 4181 1 1 3 PRO C C -3.698 5.893 2.689 1.00 . A A . 3 PRO C 1 1 10 4182 1 1 3 PRO CA C -2.853 6.702 3.677 1.00 . A A . 3 PRO CA 1 1 10 4183 1 1 3 PRO CB C -2.886 8.188 3.333 1.00 . A A . 3 PRO CB 1 1 10 4184 1 1 3 PRO CD C -0.634 7.431 2.948 1.00 . A A . 3 PRO CD 1 1 10 4185 1 1 3 PRO CG C -1.675 8.415 2.488 1.00 . A A . 3 PRO CG 1 1 10 4186 1 1 3 PRO HA H -3.195 6.549 4.688 1.00 . A A . 3 PRO HA 1 1 10 4187 1 1 3 PRO HB2 H -3.786 8.423 2.778 1.00 . A A . 3 PRO HB2 1 1 10 4188 1 1 3 PRO HB3 H -2.829 8.784 4.229 1.00 . A A . 3 PRO HB3 1 1 10 4189 1 1 3 PRO HD2 H -0.057 7.071 2.107 1.00 . A A . 3 PRO HD2 1 1 10 4190 1 1 3 PRO HD3 H 0.010 7.877 3.690 1.00 . A A . 3 PRO HD3 1 1 10 4191 1 1 3 PRO HG2 H -1.915 8.246 1.447 1.00 . A A . 3 PRO HG2 1 1 10 4192 1 1 3 PRO HG3 H -1.310 9.421 2.625 1.00 . A A . 3 PRO HG3 1 1 10 4193 1 1 3 PRO N N -1.420 6.342 3.546 1.00 . A A . 3 PRO N 1 1 10 4194 1 1 3 PRO O O -3.260 5.569 1.602 1.00 . A A . 3 PRO O 1 1 10 4195 1 1 4 LYS C C -6.054 5.515 0.853 1.00 . A A . 4 LYS C 1 1 10 4196 1 1 4 LYS CA C -5.784 4.761 2.166 1.00 . A A . 4 LYS CA 1 1 10 4197 1 1 4 LYS CB C -7.086 4.551 2.952 1.00 . A A . 4 LYS CB 1 1 10 4198 1 1 4 LYS CD C -7.819 6.399 4.484 1.00 . A A . 4 LYS CD 1 1 10 4199 1 1 4 LYS CE C -7.194 7.798 4.492 1.00 . A A . 4 LYS CE 1 1 10 4200 1 1 4 LYS CG C -7.875 5.867 3.050 1.00 . A A . 4 LYS CG 1 1 10 4201 1 1 4 LYS H H -5.223 5.822 3.955 1.00 . A A . 4 LYS H 1 1 10 4202 1 1 4 LYS HA H -5.330 3.808 1.958 1.00 . A A . 4 LYS HA 1 1 10 4203 1 1 4 LYS HB2 H -7.689 3.810 2.448 1.00 . A A . 4 LYS HB2 1 1 10 4204 1 1 4 LYS HB3 H -6.850 4.201 3.947 1.00 . A A . 4 LYS HB3 1 1 10 4205 1 1 4 LYS HD2 H -8.822 6.450 4.887 1.00 . A A . 4 LYS HD2 1 1 10 4206 1 1 4 LYS HD3 H -7.222 5.736 5.092 1.00 . A A . 4 LYS HD3 1 1 10 4207 1 1 4 LYS HE2 H -6.138 7.734 4.717 1.00 . A A . 4 LYS HE2 1 1 10 4208 1 1 4 LYS HE3 H -7.348 8.285 3.542 1.00 . A A . 4 LYS HE3 1 1 10 4209 1 1 4 LYS HG2 H -7.445 6.597 2.380 1.00 . A A . 4 LYS HG2 1 1 10 4210 1 1 4 LYS HG3 H -8.904 5.689 2.775 1.00 . A A . 4 LYS HG3 1 1 10 4211 1 1 4 LYS HZ1 H -8.836 8.117 5.722 1.00 . A A . 4 LYS HZ1 1 1 10 4212 1 1 4 LYS HZ3 H -8.027 9.526 5.287 1.00 . A A . 4 LYS HZ3 1 1 10 4213 1 1 4 LYS N N -4.902 5.558 3.070 1.00 . A A . 4 LYS N 1 1 10 4214 1 1 4 LYS NZ N -7.910 8.542 5.569 1.00 . A A . 4 LYS NZ 1 1 10 4215 1 1 4 LYS O O -5.952 6.728 0.784 1.00 . A A . 4 LYS O 1 1 10 4216 1 1 5 TRP C C -5.529 6.228 -2.048 1.00 . A A . 5 TRP C 1 1 10 4217 1 1 5 TRP CA C -6.711 5.407 -1.511 1.00 . A A . 5 TRP CA 1 1 10 4218 1 1 5 TRP CB C -7.944 6.279 -1.275 1.00 . A A . 5 TRP CB 1 1 10 4219 1 1 5 TRP CD1 C -9.536 4.621 -0.239 1.00 . A A . 5 TRP CD1 1 1 10 4220 1 1 5 TRP CD2 C -10.092 5.148 -2.350 1.00 . A A . 5 TRP CD2 1 1 10 4221 1 1 5 TRP CE2 C -11.058 4.221 -1.896 1.00 . A A . 5 TRP CE2 1 1 10 4222 1 1 5 TRP CE3 C -10.209 5.643 -3.658 1.00 . A A . 5 TRP CE3 1 1 10 4223 1 1 5 TRP CG C -9.145 5.392 -1.275 1.00 . A A . 5 TRP CG 1 1 10 4224 1 1 5 TRP CH2 C -12.206 4.298 -4.016 1.00 . A A . 5 TRP CH2 1 1 10 4225 1 1 5 TRP CZ2 C -12.105 3.797 -2.715 1.00 . A A . 5 TRP CZ2 1 1 10 4226 1 1 5 TRP CZ3 C -11.258 5.218 -4.487 1.00 . A A . 5 TRP CZ3 1 1 10 4227 1 1 5 TRP H H -6.484 3.819 -0.080 1.00 . A A . 5 TRP H 1 1 10 4228 1 1 5 TRP HA H -6.965 4.632 -2.216 1.00 . A A . 5 TRP HA 1 1 10 4229 1 1 5 TRP HB2 H -7.861 6.782 -0.323 1.00 . A A . 5 TRP HB2 1 1 10 4230 1 1 5 TRP HB3 H -8.032 7.008 -2.066 1.00 . A A . 5 TRP HB3 1 1 10 4231 1 1 5 TRP HD1 H -9.040 4.559 0.714 1.00 . A A . 5 TRP HD1 1 1 10 4232 1 1 5 TRP HE1 H -11.167 3.304 -0.027 1.00 . A A . 5 TRP HE1 1 1 10 4233 1 1 5 TRP HE3 H -9.482 6.351 -4.028 1.00 . A A . 5 TRP HE3 1 1 10 4234 1 1 5 TRP HH2 H -13.009 3.974 -4.656 1.00 . A A . 5 TRP HH2 1 1 10 4235 1 1 5 TRP HZ2 H -12.830 3.087 -2.347 1.00 . A A . 5 TRP HZ2 1 1 10 4236 1 1 5 TRP HZ3 H -11.338 5.605 -5.492 1.00 . A A . 5 TRP HZ3 1 1 10 4237 1 1 5 TRP N N -6.408 4.789 -0.180 1.00 . A A . 5 TRP N 1 1 10 4238 1 1 5 TRP NE1 N -10.677 3.929 -0.602 1.00 . A A . 5 TRP NE1 1 1 10 4239 1 1 5 TRP O O -5.711 7.234 -2.708 1.00 . A A . 5 TRP O 1 1 10 4240 1 1 6 ASN C C -2.124 5.514 -2.889 1.00 . A A . 6 ASN C 1 1 10 4241 1 1 6 ASN CA C -3.125 6.516 -2.302 1.00 . A A . 6 ASN CA 1 1 10 4242 1 1 6 ASN CB C -2.529 7.227 -1.085 1.00 . A A . 6 ASN CB 1 1 10 4243 1 1 6 ASN CG C -3.139 8.624 -0.960 1.00 . A A . 6 ASN CG 1 1 10 4244 1 1 6 ASN H H -4.205 4.966 -1.268 1.00 . A A . 6 ASN H 1 1 10 4245 1 1 6 ASN HA H -3.414 7.240 -3.049 1.00 . A A . 6 ASN HA 1 1 10 4246 1 1 6 ASN HB2 H -2.745 6.657 -0.194 1.00 . A A . 6 ASN HB2 1 1 10 4247 1 1 6 ASN HB3 H -1.459 7.313 -1.208 1.00 . A A . 6 ASN HB3 1 1 10 4248 1 1 6 ASN HD21 H -4.330 8.127 0.550 1.00 . A A . 6 ASN HD21 1 1 10 4249 1 1 6 ASN HD22 H -4.440 9.743 0.040 1.00 . A A . 6 ASN HD22 1 1 10 4250 1 1 6 ASN N N -4.323 5.787 -1.790 1.00 . A A . 6 ASN N 1 1 10 4251 1 1 6 ASN ND2 N -4.045 8.850 -0.047 1.00 . A A . 6 ASN ND2 1 1 10 4252 1 1 6 ASN O O -2.356 4.318 -2.875 1.00 . A A . 6 ASN O 1 1 10 4253 1 1 6 ASN OD1 O -2.787 9.522 -1.701 1.00 . A A . 6 ASN OD1 1 1 10 4254 1 1 7 ARG C C 0.593 4.169 -2.895 1.00 . A A . 7 ARG C 1 1 10 4255 1 1 7 ARG CA C -0.006 5.056 -3.991 1.00 . A A . 7 ARG CA 1 1 10 4256 1 1 7 ARG CB C 1.072 5.954 -4.603 1.00 . A A . 7 ARG CB 1 1 10 4257 1 1 7 ARG CD C 2.635 5.984 -6.551 1.00 . A A . 7 ARG CD 1 1 10 4258 1 1 7 ARG CG C 1.222 5.626 -6.089 1.00 . A A . 7 ARG CG 1 1 10 4259 1 1 7 ARG CZ C 3.200 6.706 -8.794 1.00 . A A . 7 ARG CZ 1 1 10 4260 1 1 7 ARG H H -0.854 6.955 -3.405 1.00 . A A . 7 ARG H 1 1 10 4261 1 1 7 ARG HA H -0.459 4.448 -4.760 1.00 . A A . 7 ARG HA 1 1 10 4262 1 1 7 ARG HB2 H 0.788 6.990 -4.489 1.00 . A A . 7 ARG HB2 1 1 10 4263 1 1 7 ARG HB3 H 2.012 5.779 -4.103 1.00 . A A . 7 ARG HB3 1 1 10 4264 1 1 7 ARG HD2 H 2.869 7.005 -6.281 1.00 . A A . 7 ARG HD2 1 1 10 4265 1 1 7 ARG HD3 H 3.355 5.305 -6.123 1.00 . A A . 7 ARG HD3 1 1 10 4266 1 1 7 ARG HG2 H 1.049 4.570 -6.245 1.00 . A A . 7 ARG HG2 1 1 10 4267 1 1 7 ARG HG3 H 0.503 6.196 -6.659 1.00 . A A . 7 ARG HG3 1 1 10 4268 1 1 7 ARG HH11 H 1.798 8.114 -8.528 1.00 . A A . 7 ARG HH11 1 1 10 4269 1 1 7 ARG HH12 H 3.120 8.558 -9.556 1.00 . A A . 7 ARG HH12 1 1 10 4270 1 1 7 ARG HH21 H 4.741 5.501 -9.233 1.00 . A A . 7 ARG HH21 1 1 10 4271 1 1 7 ARG HH22 H 4.790 7.074 -9.957 1.00 . A A . 7 ARG HH22 1 1 10 4272 1 1 7 ARG N N -1.019 5.988 -3.405 1.00 . A A . 7 ARG N 1 1 10 4273 1 1 7 ARG NE N 2.604 5.828 -8.032 1.00 . A A . 7 ARG NE 1 1 10 4274 1 1 7 ARG NH1 N 2.664 7.885 -8.974 1.00 . A A . 7 ARG NH1 1 1 10 4275 1 1 7 ARG NH2 N 4.332 6.404 -9.374 1.00 . A A . 7 ARG NH2 1 1 10 4276 1 1 7 ARG O O 0.982 4.645 -1.845 1.00 . A A . 7 ARG O 1 1 10 4277 1 1 8 CYS C C 2.220 0.980 -2.756 1.00 . A A . 8 CYS C 1 1 10 4278 1 1 8 CYS CA C 1.234 1.960 -2.107 1.00 . A A . 8 CYS CA 1 1 10 4279 1 1 8 CYS CB C 0.024 1.216 -1.533 1.00 . A A . 8 CYS CB 1 1 10 4280 1 1 8 CYS H H 0.341 2.525 -3.987 1.00 . A A . 8 CYS H 1 1 10 4281 1 1 8 CYS HA H 1.723 2.521 -1.326 1.00 . A A . 8 CYS HA 1 1 10 4282 1 1 8 CYS HB2 H -0.623 1.919 -1.031 1.00 . A A . 8 CYS HB2 1 1 10 4283 1 1 8 CYS HB3 H -0.518 0.739 -2.337 1.00 . A A . 8 CYS HB3 1 1 10 4284 1 1 8 CYS N N 0.664 2.883 -3.133 1.00 . A A . 8 CYS N 1 1 10 4285 1 1 8 CYS O O 2.170 0.728 -3.947 1.00 . A A . 8 CYS O 1 1 10 4286 1 1 8 CYS SG S 0.578 -0.039 -0.352 1.00 . A A . 8 CYS SG 1 1 10 4287 1 1 9 GLY C C 5.056 -0.983 -1.406 1.00 . A A . 9 GLY C 1 1 10 4288 1 1 9 GLY CA C 4.116 -0.530 -2.529 1.00 . A A . 9 GLY CA 1 1 10 4289 1 1 9 GLY H H 3.133 0.656 -1.022 1.00 . A A . 9 GLY H 1 1 10 4290 1 1 9 GLY HA2 H 3.602 -1.387 -2.943 1.00 . A A . 9 GLY HA2 1 1 10 4291 1 1 9 GLY HA3 H 4.693 -0.047 -3.303 1.00 . A A . 9 GLY HA3 1 1 10 4292 1 1 9 GLY N N 3.117 0.432 -1.977 1.00 . A A . 9 GLY N 1 1 10 4293 1 1 9 GLY O O 6.084 -0.373 -1.183 1.00 . A A . 9 GLY O 1 1 10 4294 1 1 10 PRO C C 6.799 -3.191 -0.135 1.00 . A A . 10 PRO C 1 1 10 4295 1 1 10 PRO CA C 5.491 -2.581 0.388 1.00 . A A . 10 PRO CA 1 1 10 4296 1 1 10 PRO CB C 4.591 -3.648 1.011 1.00 . A A . 10 PRO CB 1 1 10 4297 1 1 10 PRO CD C 3.448 -2.832 -0.940 1.00 . A A . 10 PRO CD 1 1 10 4298 1 1 10 PRO CG C 3.664 -4.054 -0.088 1.00 . A A . 10 PRO CG 1 1 10 4299 1 1 10 PRO HA H 5.700 -1.806 1.109 1.00 . A A . 10 PRO HA 1 1 10 4300 1 1 10 PRO HB2 H 5.182 -4.492 1.342 1.00 . A A . 10 PRO HB2 1 1 10 4301 1 1 10 PRO HB3 H 4.030 -3.233 1.834 1.00 . A A . 10 PRO HB3 1 1 10 4302 1 1 10 PRO HD2 H 3.342 -3.111 -1.980 1.00 . A A . 10 PRO HD2 1 1 10 4303 1 1 10 PRO HD3 H 2.586 -2.281 -0.602 1.00 . A A . 10 PRO HD3 1 1 10 4304 1 1 10 PRO HG2 H 4.113 -4.844 -0.675 1.00 . A A . 10 PRO HG2 1 1 10 4305 1 1 10 PRO HG3 H 2.723 -4.384 0.322 1.00 . A A . 10 PRO HG3 1 1 10 4306 1 1 10 PRO N N 4.670 -2.041 -0.731 1.00 . A A . 10 PRO N 1 1 10 4307 1 1 10 PRO O O 7.808 -3.171 0.539 1.00 . A A . 10 PRO O 1 1 10 4308 1 1 11 LYS C C 8.979 -3.199 -2.408 1.00 . A A . 11 LYS C 1 1 10 4309 1 1 11 LYS CA C 8.047 -4.313 -1.897 1.00 . A A . 11 LYS CA 1 1 10 4310 1 1 11 LYS CB C 7.586 -5.201 -3.057 1.00 . A A . 11 LYS CB 1 1 10 4311 1 1 11 LYS CD C 8.263 -7.578 -2.645 1.00 . A A . 11 LYS CD 1 1 10 4312 1 1 11 LYS CE C 8.759 -8.769 -3.473 1.00 . A A . 11 LYS CE 1 1 10 4313 1 1 11 LYS CG C 8.647 -6.269 -3.344 1.00 . A A . 11 LYS CG 1 1 10 4314 1 1 11 LYS H H 5.972 -3.720 -1.868 1.00 . A A . 11 LYS H 1 1 10 4315 1 1 11 LYS HA H 8.548 -4.912 -1.153 1.00 . A A . 11 LYS HA 1 1 10 4316 1 1 11 LYS HB2 H 6.654 -5.679 -2.796 1.00 . A A . 11 LYS HB2 1 1 10 4317 1 1 11 LYS HB3 H 7.444 -4.594 -3.939 1.00 . A A . 11 LYS HB3 1 1 10 4318 1 1 11 LYS HD2 H 8.714 -7.607 -1.664 1.00 . A A . 11 LYS HD2 1 1 10 4319 1 1 11 LYS HD3 H 7.189 -7.633 -2.549 1.00 . A A . 11 LYS HD3 1 1 10 4320 1 1 11 LYS HE2 H 8.188 -9.655 -3.231 1.00 . A A . 11 LYS HE2 1 1 10 4321 1 1 11 LYS HE3 H 8.687 -8.552 -4.527 1.00 . A A . 11 LYS HE3 1 1 10 4322 1 1 11 LYS HG2 H 8.710 -6.433 -4.408 1.00 . A A . 11 LYS HG2 1 1 10 4323 1 1 11 LYS HG3 H 9.605 -5.935 -2.974 1.00 . A A . 11 LYS HG3 1 1 10 4324 1 1 11 LYS HZ1 H 10.636 -9.623 -3.726 1.00 . A A . 11 LYS HZ1 1 1 10 4325 1 1 11 LYS HZ3 H 10.242 -9.309 -2.122 1.00 . A A . 11 LYS HZ3 1 1 10 4326 1 1 11 LYS N N 6.794 -3.721 -1.334 1.00 . A A . 11 LYS N 1 1 10 4327 1 1 11 LYS NZ N 10.189 -8.951 -3.086 1.00 . A A . 11 LYS NZ 1 1 10 4328 1 1 11 LYS O O 10.140 -3.435 -2.685 1.00 . A A . 11 LYS O 1 1 10 4329 1 1 12 MET C C 9.867 -0.026 -1.861 1.00 . A A . 12 MET C 1 1 10 4330 1 1 12 MET CA C 9.328 -0.864 -3.033 1.00 . A A . 12 MET CA 1 1 10 4331 1 1 12 MET CB C 8.390 -0.025 -3.914 1.00 . A A . 12 MET CB 1 1 10 4332 1 1 12 MET CE C 10.895 2.779 -5.602 1.00 . A A . 12 MET CE 1 1 10 4333 1 1 12 MET CG C 9.050 1.315 -4.258 1.00 . A A . 12 MET CG 1 1 10 4334 1 1 12 MET H H 7.540 -1.822 -2.312 1.00 . A A . 12 MET H 1 1 10 4335 1 1 12 MET HA H 10.144 -1.243 -3.627 1.00 . A A . 12 MET HA 1 1 10 4336 1 1 12 MET HB2 H 8.178 -0.565 -4.825 1.00 . A A . 12 MET HB2 1 1 10 4337 1 1 12 MET HB3 H 7.468 0.158 -3.382 1.00 . A A . 12 MET HB3 1 1 10 4338 1 1 12 MET HE1 H 11.339 2.942 -6.571 1.00 . A A . 12 MET HE1 1 1 10 4339 1 1 12 MET HE2 H 10.033 3.421 -5.491 1.00 . A A . 12 MET HE2 1 1 10 4340 1 1 12 MET HE3 H 11.622 3.006 -4.834 1.00 . A A . 12 MET HE3 1 1 10 4341 1 1 12 MET HG2 H 8.312 1.978 -4.685 1.00 . A A . 12 MET HG2 1 1 10 4342 1 1 12 MET HG3 H 9.454 1.760 -3.360 1.00 . A A . 12 MET HG3 1 1 10 4343 1 1 12 MET N N 8.478 -1.989 -2.537 1.00 . A A . 12 MET N 1 1 10 4344 1 1 12 MET O O 10.998 0.421 -1.889 1.00 . A A . 12 MET O 1 1 10 4345 1 1 12 MET SD S 10.383 1.050 -5.453 1.00 . A A . 12 MET SD 1 1 10 4346 1 1 13 ASP C C 9.696 0.178 1.581 1.00 . A A . 13 ASP C 1 1 10 4347 1 1 13 ASP CA C 9.550 1.027 0.311 1.00 . A A . 13 ASP CA 1 1 10 4348 1 1 13 ASP CB C 8.469 2.093 0.508 1.00 . A A . 13 ASP CB 1 1 10 4349 1 1 13 ASP CG C 9.121 3.476 0.575 1.00 . A A . 13 ASP CG 1 1 10 4350 1 1 13 ASP H H 8.155 -0.160 -0.838 1.00 . A A . 13 ASP H 1 1 10 4351 1 1 13 ASP HA H 10.488 1.500 0.068 1.00 . A A . 13 ASP HA 1 1 10 4352 1 1 13 ASP HB2 H 7.776 2.062 -0.320 1.00 . A A . 13 ASP HB2 1 1 10 4353 1 1 13 ASP HB3 H 7.939 1.903 1.430 1.00 . A A . 13 ASP HB3 1 1 10 4354 1 1 13 ASP N N 9.071 0.202 -0.842 1.00 . A A . 13 ASP N 1 1 10 4355 1 1 13 ASP O O 10.408 0.547 2.496 1.00 . A A . 13 ASP O 1 1 10 4356 1 1 13 ASP OD1 O 9.537 3.862 1.654 1.00 . A A . 13 ASP OD1 1 1 10 4357 1 1 13 ASP OD2 O 9.194 4.125 -0.456 1.00 . A A . 13 ASP OD2 1 1 10 4358 1 1 14 GLY C C 8.079 -1.330 3.903 1.00 . A A . 14 GLY C 1 1 10 4359 1 1 14 GLY CA C 9.112 -1.798 2.871 1.00 . A A . 14 GLY CA 1 1 10 4360 1 1 14 GLY H H 8.443 -1.216 0.910 1.00 . A A . 14 GLY H 1 1 10 4361 1 1 14 GLY HA2 H 8.917 -2.827 2.603 1.00 . A A . 14 GLY HA2 1 1 10 4362 1 1 14 GLY HA3 H 10.102 -1.718 3.295 1.00 . A A . 14 GLY HA3 1 1 10 4363 1 1 14 GLY N N 9.021 -0.942 1.652 1.00 . A A . 14 GLY N 1 1 10 4364 1 1 14 GLY O O 8.173 -1.657 5.071 1.00 . A A . 14 GLY O 1 1 10 4365 1 1 15 VAL C C 4.653 -0.365 3.883 1.00 . A A . 15 VAL C 1 1 10 4366 1 1 15 VAL CA C 6.054 -0.080 4.440 1.00 . A A . 15 VAL CA 1 1 10 4367 1 1 15 VAL CB C 6.286 1.433 4.564 1.00 . A A . 15 VAL CB 1 1 10 4368 1 1 15 VAL CG1 C 5.187 2.054 5.435 1.00 . A A . 15 VAL CG1 1 1 10 4369 1 1 15 VAL CG2 C 7.650 1.694 5.212 1.00 . A A . 15 VAL CG2 1 1 10 4370 1 1 15 VAL H H 7.034 -0.317 2.535 1.00 . A A . 15 VAL H 1 1 10 4371 1 1 15 VAL HA H 6.181 -0.550 5.402 1.00 . A A . 15 VAL HA 1 1 10 4372 1 1 15 VAL HB H 6.261 1.879 3.580 1.00 . A A . 15 VAL HB 1 1 10 4373 1 1 15 VAL HG11 H 4.220 1.709 5.098 1.00 . A A . 15 VAL HG11 1 1 10 4374 1 1 15 VAL HG12 H 5.336 1.761 6.464 1.00 . A A . 15 VAL HG12 1 1 10 4375 1 1 15 VAL HG13 H 5.230 3.131 5.358 1.00 . A A . 15 VAL HG13 1 1 10 4376 1 1 15 VAL HG21 H 7.671 1.249 6.196 1.00 . A A . 15 VAL HG21 1 1 10 4377 1 1 15 VAL HG22 H 8.428 1.258 4.602 1.00 . A A . 15 VAL HG22 1 1 10 4378 1 1 15 VAL HG23 H 7.811 2.758 5.294 1.00 . A A . 15 VAL HG23 1 1 10 4379 1 1 15 VAL N N 7.093 -0.567 3.483 1.00 . A A . 15 VAL N 1 1 10 4380 1 1 15 VAL O O 4.290 0.134 2.835 1.00 . A A . 15 VAL O 1 1 10 4381 1 1 16 PRO C C 1.587 -0.328 4.468 1.00 . A A . 16 PRO C 1 1 10 4382 1 1 16 PRO CA C 2.528 -1.506 4.196 1.00 . A A . 16 PRO CA 1 1 10 4383 1 1 16 PRO CB C 2.171 -2.692 5.087 1.00 . A A . 16 PRO CB 1 1 10 4384 1 1 16 PRO CD C 4.277 -1.801 5.882 1.00 . A A . 16 PRO CD 1 1 10 4385 1 1 16 PRO CG C 3.035 -2.543 6.300 1.00 . A A . 16 PRO CG 1 1 10 4386 1 1 16 PRO HA H 2.497 -1.793 3.158 1.00 . A A . 16 PRO HA 1 1 10 4387 1 1 16 PRO HB2 H 1.125 -2.652 5.360 1.00 . A A . 16 PRO HB2 1 1 10 4388 1 1 16 PRO HB3 H 2.395 -3.621 4.585 1.00 . A A . 16 PRO HB3 1 1 10 4389 1 1 16 PRO HD2 H 4.539 -1.058 6.624 1.00 . A A . 16 PRO HD2 1 1 10 4390 1 1 16 PRO HD3 H 5.095 -2.486 5.726 1.00 . A A . 16 PRO HD3 1 1 10 4391 1 1 16 PRO HG2 H 2.507 -1.981 7.059 1.00 . A A . 16 PRO HG2 1 1 10 4392 1 1 16 PRO HG3 H 3.305 -3.514 6.682 1.00 . A A . 16 PRO HG3 1 1 10 4393 1 1 16 PRO N N 3.908 -1.158 4.614 1.00 . A A . 16 PRO N 1 1 10 4394 1 1 16 PRO O O 1.968 0.650 5.088 1.00 . A A . 16 PRO O 1 1 10 4395 1 1 17 CYS C C -0.850 0.821 5.791 1.00 . A A . 17 CYS C 1 1 10 4396 1 1 17 CYS CA C -0.604 0.694 4.284 1.00 . A A . 17 CYS CA 1 1 10 4397 1 1 17 CYS CB C -1.893 0.303 3.559 1.00 . A A . 17 CYS CB 1 1 10 4398 1 1 17 CYS H H 0.066 -1.218 3.542 1.00 . A A . 17 CYS H 1 1 10 4399 1 1 17 CYS HA H -0.221 1.620 3.886 1.00 . A A . 17 CYS HA 1 1 10 4400 1 1 17 CYS HB2 H -1.655 -0.332 2.718 1.00 . A A . 17 CYS HB2 1 1 10 4401 1 1 17 CYS HB3 H -2.543 -0.228 4.240 1.00 . A A . 17 CYS HB3 1 1 10 4402 1 1 17 CYS N N 0.358 -0.418 4.029 1.00 . A A . 17 CYS N 1 1 10 4403 1 1 17 CYS O O -0.497 -0.055 6.559 1.00 . A A . 17 CYS O 1 1 10 4404 1 1 17 CYS SG S -2.725 1.799 2.974 1.00 . A A . 17 CYS SG 1 1 10 4405 1 1 18 CYS C C -2.436 0.887 8.278 1.00 . A A . 18 CYS C 1 1 10 4406 1 1 18 CYS CA C -1.701 2.099 7.683 1.00 . A A . 18 CYS CA 1 1 10 4407 1 1 18 CYS CB C -2.545 3.366 7.779 1.00 . A A . 18 CYS CB 1 1 10 4408 1 1 18 CYS H H -1.704 2.605 5.577 1.00 . A A . 18 CYS H 1 1 10 4409 1 1 18 CYS HA H -0.771 2.246 8.205 1.00 . A A . 18 CYS HA 1 1 10 4410 1 1 18 CYS HB2 H -3.417 3.267 7.150 1.00 . A A . 18 CYS HB2 1 1 10 4411 1 1 18 CYS HB3 H -2.851 3.517 8.803 1.00 . A A . 18 CYS HB3 1 1 10 4412 1 1 18 CYS N N -1.441 1.907 6.218 1.00 . A A . 18 CYS N 1 1 10 4413 1 1 18 CYS O O -3.009 0.082 7.571 1.00 . A A . 18 CYS O 1 1 10 4414 1 1 18 CYS SG S -1.560 4.784 7.229 1.00 . A A . 18 CYS SG 1 1 10 4415 1 1 19 GLU C C -4.497 -0.631 9.829 1.00 . A A . 19 GLU C 1 1 10 4416 1 1 19 GLU CA C -3.038 -0.420 10.264 1.00 . A A . 19 GLU CA 1 1 10 4417 1 1 19 GLU CB C -2.965 -0.101 11.763 1.00 . A A . 19 GLU CB 1 1 10 4418 1 1 19 GLU CD C -2.820 -2.398 12.742 1.00 . A A . 19 GLU CD 1 1 10 4419 1 1 19 GLU CG C -2.043 -1.112 12.452 1.00 . A A . 19 GLU CG 1 1 10 4420 1 1 19 GLU H H -1.894 1.405 10.117 1.00 . A A . 19 GLU H 1 1 10 4421 1 1 19 GLU HA H -2.476 -1.312 10.061 1.00 . A A . 19 GLU HA 1 1 10 4422 1 1 19 GLU HB2 H -2.577 0.897 11.902 1.00 . A A . 19 GLU HB2 1 1 10 4423 1 1 19 GLU HB3 H -3.953 -0.167 12.195 1.00 . A A . 19 GLU HB3 1 1 10 4424 1 1 19 GLU HG2 H -1.206 -1.334 11.805 1.00 . A A . 19 GLU HG2 1 1 10 4425 1 1 19 GLU HG3 H -1.680 -0.693 13.380 1.00 . A A . 19 GLU HG3 1 1 10 4426 1 1 19 GLU N N -2.387 0.748 9.581 1.00 . A A . 19 GLU N 1 1 10 4427 1 1 19 GLU O O -4.869 -1.741 9.496 1.00 . A A . 19 GLU O 1 1 10 4428 1 1 19 GLU OE1 O -3.109 -3.122 11.802 1.00 . A A . 19 GLU OE1 1 1 10 4429 1 1 19 GLU OE2 O -3.116 -2.638 13.901 1.00 . A A . 19 GLU OE2 1 1 10 4430 1 1 20 PRO C C -6.861 0.059 7.922 1.00 . A A . 20 PRO C 1 1 10 4431 1 1 20 PRO CA C -6.712 0.297 9.439 1.00 . A A . 20 PRO CA 1 1 10 4432 1 1 20 PRO CB C -7.314 1.639 9.847 1.00 . A A . 20 PRO CB 1 1 10 4433 1 1 20 PRO CD C -4.941 1.797 10.227 1.00 . A A . 20 PRO CD 1 1 10 4434 1 1 20 PRO CG C -6.165 2.593 9.863 1.00 . A A . 20 PRO CG 1 1 10 4435 1 1 20 PRO HA H -7.190 -0.497 9.989 1.00 . A A . 20 PRO HA 1 1 10 4436 1 1 20 PRO HB2 H -8.057 1.953 9.124 1.00 . A A . 20 PRO HB2 1 1 10 4437 1 1 20 PRO HB3 H -7.752 1.571 10.830 1.00 . A A . 20 PRO HB3 1 1 10 4438 1 1 20 PRO HD2 H -4.086 2.150 9.668 1.00 . A A . 20 PRO HD2 1 1 10 4439 1 1 20 PRO HD3 H -4.752 1.852 11.288 1.00 . A A . 20 PRO HD3 1 1 10 4440 1 1 20 PRO HG2 H -6.041 3.038 8.887 1.00 . A A . 20 PRO HG2 1 1 10 4441 1 1 20 PRO HG3 H -6.331 3.361 10.602 1.00 . A A . 20 PRO HG3 1 1 10 4442 1 1 20 PRO N N -5.284 0.421 9.843 1.00 . A A . 20 PRO N 1 1 10 4443 1 1 20 PRO O O -7.963 0.043 7.407 1.00 . A A . 20 PRO O 1 1 10 4444 1 1 21 TYR C C -4.838 -1.406 5.275 1.00 . A A . 21 TYR C 1 1 10 4445 1 1 21 TYR CA C -5.879 -0.374 5.727 1.00 . A A . 21 TYR CA 1 1 10 4446 1 1 21 TYR CB C -5.607 0.986 5.074 1.00 . A A . 21 TYR CB 1 1 10 4447 1 1 21 TYR CD1 C -7.974 1.815 4.798 1.00 . A A . 21 TYR CD1 1 1 10 4448 1 1 21 TYR CD2 C -6.511 2.952 6.363 1.00 . A A . 21 TYR CD2 1 1 10 4449 1 1 21 TYR CE1 C -9.011 2.696 5.126 1.00 . A A . 21 TYR CE1 1 1 10 4450 1 1 21 TYR CE2 C -7.546 3.833 6.691 1.00 . A A . 21 TYR CE2 1 1 10 4451 1 1 21 TYR CG C -6.725 1.943 5.417 1.00 . A A . 21 TYR CG 1 1 10 4452 1 1 21 TYR CZ C -8.797 3.706 6.073 1.00 . A A . 21 TYR CZ 1 1 10 4453 1 1 21 TYR H H -4.890 -0.123 7.630 1.00 . A A . 21 TYR H 1 1 10 4454 1 1 21 TYR HA H -6.872 -0.710 5.474 1.00 . A A . 21 TYR HA 1 1 10 4455 1 1 21 TYR HB2 H -4.668 1.379 5.437 1.00 . A A . 21 TYR HB2 1 1 10 4456 1 1 21 TYR HB3 H -5.555 0.865 4.002 1.00 . A A . 21 TYR HB3 1 1 10 4457 1 1 21 TYR HD1 H -8.138 1.038 4.067 1.00 . A A . 21 TYR HD1 1 1 10 4458 1 1 21 TYR HD2 H -5.545 3.050 6.838 1.00 . A A . 21 TYR HD2 1 1 10 4459 1 1 21 TYR HE1 H -9.975 2.598 4.650 1.00 . A A . 21 TYR HE1 1 1 10 4460 1 1 21 TYR HE2 H -7.381 4.611 7.420 1.00 . A A . 21 TYR HE2 1 1 10 4461 1 1 21 TYR HH H -9.448 5.444 6.544 1.00 . A A . 21 TYR HH 1 1 10 4462 1 1 21 TYR N N -5.774 -0.132 7.203 1.00 . A A . 21 TYR N 1 1 10 4463 1 1 21 TYR O O -4.045 -1.886 6.065 1.00 . A A . 21 TYR O 1 1 10 4464 1 1 21 TYR OH O -9.823 4.571 6.399 1.00 . A A . 21 TYR OH 1 1 10 4465 1 1 22 THR C C -3.522 -2.477 2.025 1.00 . A A . 22 THR C 1 1 10 4466 1 1 22 THR CA C -3.849 -2.757 3.499 1.00 . A A . 22 THR CA 1 1 10 4467 1 1 22 THR CB C -4.526 -4.131 3.647 1.00 . A A . 22 THR CB 1 1 10 4468 1 1 22 THR CG2 C -3.992 -4.830 4.900 1.00 . A A . 22 THR CG2 1 1 10 4469 1 1 22 THR H H -5.487 -1.352 3.395 1.00 . A A . 22 THR H 1 1 10 4470 1 1 22 THR HA H -2.947 -2.727 4.090 1.00 . A A . 22 THR HA 1 1 10 4471 1 1 22 THR HB H -4.298 -4.737 2.783 1.00 . A A . 22 THR HB 1 1 10 4472 1 1 22 THR HG1 H -6.353 -4.740 3.352 1.00 . A A . 22 THR HG1 1 1 10 4473 1 1 22 THR HG21 H -2.934 -5.013 4.787 1.00 . A A . 22 THR HG21 1 1 10 4474 1 1 22 THR HG22 H -4.159 -4.200 5.761 1.00 . A A . 22 THR HG22 1 1 10 4475 1 1 22 THR HG23 H -4.508 -5.769 5.035 1.00 . A A . 22 THR HG23 1 1 10 4476 1 1 22 THR N N -4.837 -1.752 4.011 1.00 . A A . 22 THR N 1 1 10 4477 1 1 22 THR O O -4.258 -1.799 1.334 1.00 . A A . 22 THR O 1 1 10 4478 1 1 22 THR OG1 O -5.937 -3.976 3.754 1.00 . A A . 22 THR OG1 1 1 10 4479 1 1 23 CYS C C -2.618 -3.862 -0.783 1.00 . A A . 23 CYS C 1 1 10 4480 1 1 23 CYS CA C -2.036 -2.766 0.116 1.00 . A A . 23 CYS CA 1 1 10 4481 1 1 23 CYS CB C -0.505 -2.822 0.099 1.00 . A A . 23 CYS CB 1 1 10 4482 1 1 23 CYS H H -1.844 -3.544 2.122 1.00 . A A . 23 CYS H 1 1 10 4483 1 1 23 CYS HA H -2.370 -1.794 -0.210 1.00 . A A . 23 CYS HA 1 1 10 4484 1 1 23 CYS HB2 H -0.121 -2.459 1.041 1.00 . A A . 23 CYS HB2 1 1 10 4485 1 1 23 CYS HB3 H -0.183 -3.842 -0.050 1.00 . A A . 23 CYS HB3 1 1 10 4486 1 1 23 CYS N N -2.420 -2.998 1.544 1.00 . A A . 23 CYS N 1 1 10 4487 1 1 23 CYS O O -2.906 -4.957 -0.335 1.00 . A A . 23 CYS O 1 1 10 4488 1 1 23 CYS SG S 0.121 -1.788 -1.247 1.00 . A A . 23 CYS SG 1 1 10 4489 1 1 24 THR C C -2.203 -5.405 -3.623 1.00 . A A . 24 THR C 1 1 10 4490 1 1 24 THR CA C -3.343 -4.606 -2.985 1.00 . A A . 24 THR CA 1 1 10 4491 1 1 24 THR CB C -4.116 -3.816 -4.047 1.00 . A A . 24 THR CB 1 1 10 4492 1 1 24 THR CG2 C -4.748 -4.781 -5.053 1.00 . A A . 24 THR CG2 1 1 10 4493 1 1 24 THR H H -2.543 -2.689 -2.394 1.00 . A A . 24 THR H 1 1 10 4494 1 1 24 THR HA H -4.012 -5.264 -2.459 1.00 . A A . 24 THR HA 1 1 10 4495 1 1 24 THR HB H -3.438 -3.155 -4.567 1.00 . A A . 24 THR HB 1 1 10 4496 1 1 24 THR HG1 H -4.881 -2.126 -3.460 1.00 . A A . 24 THR HG1 1 1 10 4497 1 1 24 THR HG21 H -4.948 -4.258 -5.976 1.00 . A A . 24 THR HG21 1 1 10 4498 1 1 24 THR HG22 H -4.070 -5.599 -5.243 1.00 . A A . 24 THR HG22 1 1 10 4499 1 1 24 THR HG23 H -5.674 -5.166 -4.650 1.00 . A A . 24 THR HG23 1 1 10 4500 1 1 24 THR N N -2.787 -3.578 -2.052 1.00 . A A . 24 THR N 1 1 10 4501 1 1 24 THR O O -2.228 -6.621 -3.652 1.00 . A A . 24 THR O 1 1 10 4502 1 1 24 THR OG1 O -5.137 -3.051 -3.419 1.00 . A A . 24 THR OG1 1 1 10 4503 1 1 25 SER C C 1.228 -5.215 -3.957 1.00 . A A . 25 SER C 1 1 10 4504 1 1 25 SER CA C -0.055 -5.433 -4.772 1.00 . A A . 25 SER CA 1 1 10 4505 1 1 25 SER CB C 0.072 -4.803 -6.160 1.00 . A A . 25 SER CB 1 1 10 4506 1 1 25 SER H H -1.216 -3.748 -4.090 1.00 . A A . 25 SER H 1 1 10 4507 1 1 25 SER HA H -0.266 -6.487 -4.866 1.00 . A A . 25 SER HA 1 1 10 4508 1 1 25 SER HB2 H -0.368 -3.821 -6.152 1.00 . A A . 25 SER HB2 1 1 10 4509 1 1 25 SER HB3 H 1.118 -4.724 -6.425 1.00 . A A . 25 SER HB3 1 1 10 4510 1 1 25 SER HG H 0.022 -6.229 -7.484 1.00 . A A . 25 SER HG 1 1 10 4511 1 1 25 SER N N -1.207 -4.726 -4.132 1.00 . A A . 25 SER N 1 1 10 4512 1 1 25 SER O O 1.230 -4.516 -2.960 1.00 . A A . 25 SER O 1 1 10 4513 1 1 25 SER OG O -0.611 -5.613 -7.108 1.00 . A A . 25 SER OG 1 1 10 4514 1 1 26 ASP C C 4.444 -4.523 -4.241 1.00 . A A . 26 ASP C 1 1 10 4515 1 1 26 ASP CA C 3.603 -5.649 -3.628 1.00 . A A . 26 ASP CA 1 1 10 4516 1 1 26 ASP CB C 4.325 -6.991 -3.774 1.00 . A A . 26 ASP CB 1 1 10 4517 1 1 26 ASP CG C 3.982 -7.889 -2.584 1.00 . A A . 26 ASP CG 1 1 10 4518 1 1 26 ASP H H 2.287 -6.372 -5.179 1.00 . A A . 26 ASP H 1 1 10 4519 1 1 26 ASP HA H 3.410 -5.449 -2.585 1.00 . A A . 26 ASP HA 1 1 10 4520 1 1 26 ASP HB2 H 4.011 -7.471 -4.691 1.00 . A A . 26 ASP HB2 1 1 10 4521 1 1 26 ASP HB3 H 5.391 -6.825 -3.802 1.00 . A A . 26 ASP HB3 1 1 10 4522 1 1 26 ASP N N 2.317 -5.812 -4.374 1.00 . A A . 26 ASP N 1 1 10 4523 1 1 26 ASP O O 4.934 -3.657 -3.544 1.00 . A A . 26 ASP O 1 1 10 4524 1 1 26 ASP OD1 O 4.606 -7.731 -1.548 1.00 . A A . 26 ASP OD1 1 1 10 4525 1 1 26 ASP OD2 O 3.102 -8.721 -2.730 1.00 . A A . 26 ASP OD2 1 1 10 4526 1 1 27 TYR C C 4.594 -2.221 -6.437 1.00 . A A . 27 TYR C 1 1 10 4527 1 1 27 TYR CA C 5.438 -3.475 -6.200 1.00 . A A . 27 TYR CA 1 1 10 4528 1 1 27 TYR CB C 5.887 -4.086 -7.532 1.00 . A A . 27 TYR CB 1 1 10 4529 1 1 27 TYR CD1 C 8.356 -4.548 -7.330 1.00 . A A . 27 TYR CD1 1 1 10 4530 1 1 27 TYR CD2 C 6.797 -6.381 -7.023 1.00 . A A . 27 TYR CD2 1 1 10 4531 1 1 27 TYR CE1 C 9.425 -5.420 -7.100 1.00 . A A . 27 TYR CE1 1 1 10 4532 1 1 27 TYR CE2 C 7.867 -7.253 -6.794 1.00 . A A . 27 TYR CE2 1 1 10 4533 1 1 27 TYR CG C 7.041 -5.028 -7.290 1.00 . A A . 27 TYR CG 1 1 10 4534 1 1 27 TYR CZ C 9.181 -6.772 -6.833 1.00 . A A . 27 TYR CZ 1 1 10 4535 1 1 27 TYR H H 4.219 -5.253 -6.078 1.00 . A A . 27 TYR H 1 1 10 4536 1 1 27 TYR HA H 6.297 -3.237 -5.599 1.00 . A A . 27 TYR HA 1 1 10 4537 1 1 27 TYR HB2 H 5.064 -4.629 -7.975 1.00 . A A . 27 TYR HB2 1 1 10 4538 1 1 27 TYR HB3 H 6.200 -3.298 -8.201 1.00 . A A . 27 TYR HB3 1 1 10 4539 1 1 27 TYR HD1 H 8.544 -3.506 -7.537 1.00 . A A . 27 TYR HD1 1 1 10 4540 1 1 27 TYR HD2 H 5.783 -6.752 -6.992 1.00 . A A . 27 TYR HD2 1 1 10 4541 1 1 27 TYR HE1 H 10.440 -5.048 -7.131 1.00 . A A . 27 TYR HE1 1 1 10 4542 1 1 27 TYR HE2 H 7.681 -8.296 -6.588 1.00 . A A . 27 TYR HE2 1 1 10 4543 1 1 27 TYR HH H 10.463 -7.579 -5.671 1.00 . A A . 27 TYR HH 1 1 10 4544 1 1 27 TYR N N 4.621 -4.538 -5.538 1.00 . A A . 27 TYR N 1 1 10 4545 1 1 27 TYR O O 4.886 -1.159 -5.918 1.00 . A A . 27 TYR O 1 1 10 4546 1 1 27 TYR OH O 10.237 -7.630 -6.604 1.00 . A A . 27 TYR OH 1 1 10 4547 1 1 28 TYR C C 1.212 -1.518 -7.248 1.00 . A A . 28 TYR C 1 1 10 4548 1 1 28 TYR CA C 2.681 -1.160 -7.500 1.00 . A A . 28 TYR CA 1 1 10 4549 1 1 28 TYR CB C 2.911 -0.838 -8.979 1.00 . A A . 28 TYR CB 1 1 10 4550 1 1 28 TYR CD1 C 5.395 -0.394 -9.087 1.00 . A A . 28 TYR CD1 1 1 10 4551 1 1 28 TYR CD2 C 3.864 1.479 -9.271 1.00 . A A . 28 TYR CD2 1 1 10 4552 1 1 28 TYR CE1 C 6.479 0.479 -9.215 1.00 . A A . 28 TYR CE1 1 1 10 4553 1 1 28 TYR CE2 C 4.950 2.352 -9.399 1.00 . A A . 28 TYR CE2 1 1 10 4554 1 1 28 TYR CG C 4.085 0.105 -9.116 1.00 . A A . 28 TYR CG 1 1 10 4555 1 1 28 TYR CZ C 6.257 1.853 -9.372 1.00 . A A . 28 TYR CZ 1 1 10 4556 1 1 28 TYR H H 3.344 -3.206 -7.620 1.00 . A A . 28 TYR H 1 1 10 4557 1 1 28 TYR HA H 2.972 -0.318 -6.889 1.00 . A A . 28 TYR HA 1 1 10 4558 1 1 28 TYR HB2 H 3.118 -1.752 -9.518 1.00 . A A . 28 TYR HB2 1 1 10 4559 1 1 28 TYR HB3 H 2.028 -0.372 -9.387 1.00 . A A . 28 TYR HB3 1 1 10 4560 1 1 28 TYR HD1 H 5.566 -1.454 -8.967 1.00 . A A . 28 TYR HD1 1 1 10 4561 1 1 28 TYR HD2 H 2.855 1.865 -9.294 1.00 . A A . 28 TYR HD2 1 1 10 4562 1 1 28 TYR HE1 H 7.488 0.096 -9.192 1.00 . A A . 28 TYR HE1 1 1 10 4563 1 1 28 TYR HE2 H 4.779 3.412 -9.520 1.00 . A A . 28 TYR HE2 1 1 10 4564 1 1 28 TYR HH H 7.715 2.579 -10.368 1.00 . A A . 28 TYR HH 1 1 10 4565 1 1 28 TYR N N 3.552 -2.338 -7.217 1.00 . A A . 28 TYR N 1 1 10 4566 1 1 28 TYR O O 0.616 -2.282 -7.983 1.00 . A A . 28 TYR O 1 1 10 4567 1 1 28 TYR OH O 7.327 2.714 -9.500 1.00 . A A . 28 TYR OH 1 1 10 4568 1 1 29 GLY C C -1.475 -0.033 -5.313 1.00 . A A . 29 GLY C 1 1 10 4569 1 1 29 GLY CA C -0.799 -1.273 -5.903 1.00 . A A . 29 GLY CA 1 1 10 4570 1 1 29 GLY H H 1.136 -0.360 -5.634 1.00 . A A . 29 GLY H 1 1 10 4571 1 1 29 GLY HA2 H -1.309 -1.562 -6.811 1.00 . A A . 29 GLY HA2 1 1 10 4572 1 1 29 GLY HA3 H -0.850 -2.081 -5.191 1.00 . A A . 29 GLY HA3 1 1 10 4573 1 1 29 GLY N N 0.630 -0.971 -6.212 1.00 . A A . 29 GLY N 1 1 10 4574 1 1 29 GLY O O -0.832 0.960 -5.022 1.00 . A A . 29 GLY O 1 1 10 4575 1 1 30 ASN C C -4.209 0.676 -3.263 1.00 . A A . 30 ASN C 1 1 10 4576 1 1 30 ASN CA C -3.495 1.089 -4.549 1.00 . A A . 30 ASN CA 1 1 10 4577 1 1 30 ASN CB C -4.513 1.519 -5.609 1.00 . A A . 30 ASN CB 1 1 10 4578 1 1 30 ASN CG C -3.786 1.905 -6.900 1.00 . A A . 30 ASN CG 1 1 10 4579 1 1 30 ASN H H -3.267 -0.898 -5.362 1.00 . A A . 30 ASN H 1 1 10 4580 1 1 30 ASN HA H -2.805 1.895 -4.352 1.00 . A A . 30 ASN HA 1 1 10 4581 1 1 30 ASN HB2 H -5.194 0.702 -5.807 1.00 . A A . 30 ASN HB2 1 1 10 4582 1 1 30 ASN HB3 H -5.071 2.370 -5.244 1.00 . A A . 30 ASN HB3 1 1 10 4583 1 1 30 ASN HD21 H -4.228 0.205 -7.830 1.00 . A A . 30 ASN HD21 1 1 10 4584 1 1 30 ASN HD22 H -3.315 1.313 -8.737 1.00 . A A . 30 ASN HD22 1 1 10 4585 1 1 30 ASN N N -2.771 -0.085 -5.127 1.00 . A A . 30 ASN N 1 1 10 4586 1 1 30 ASN ND2 N -3.774 1.072 -7.906 1.00 . A A . 30 ASN ND2 1 1 10 4587 1 1 30 ASN O O -4.964 -0.277 -3.239 1.00 . A A . 30 ASN O 1 1 10 4588 1 1 30 ASN OD1 O -3.222 2.978 -6.996 1.00 . A A . 30 ASN OD1 1 1 10 4589 1 1 31 CYS C C -6.089 1.554 -0.905 1.00 . A A . 31 CYS C 1 1 10 4590 1 1 31 CYS CA C -4.640 1.051 -0.902 1.00 . A A . 31 CYS CA 1 1 10 4591 1 1 31 CYS CB C -3.818 1.781 0.161 1.00 . A A . 31 CYS CB 1 1 10 4592 1 1 31 CYS H H -3.364 2.155 -2.244 1.00 . A A . 31 CYS H 1 1 10 4593 1 1 31 CYS HA H -4.608 -0.013 -0.728 1.00 . A A . 31 CYS HA 1 1 10 4594 1 1 31 CYS HB2 H -2.765 1.640 -0.039 1.00 . A A . 31 CYS HB2 1 1 10 4595 1 1 31 CYS HB3 H -4.051 2.835 0.135 1.00 . A A . 31 CYS HB3 1 1 10 4596 1 1 31 CYS N N -3.977 1.391 -2.194 1.00 . A A . 31 CYS N 1 1 10 4597 1 1 31 CYS O O -6.430 2.473 -1.624 1.00 . A A . 31 CYS O 1 1 10 4598 1 1 31 CYS SG S -4.213 1.118 1.796 1.00 . A A . 31 CYS SG 1 1 10 4599 1 1 32 SER C C -9.117 0.711 1.088 1.00 . A A . 32 SER C 1 1 10 4600 1 1 32 SER CA C -8.370 1.419 -0.049 1.00 . A A . 32 SER CA 1 1 10 4601 1 1 32 SER CB C -8.967 1.046 -1.411 1.00 . A A . 32 SER CB 1 1 10 4602 1 1 32 SER H H -6.643 0.229 0.475 1.00 . A A . 32 SER H 1 1 10 4603 1 1 32 SER HA H -8.411 2.488 0.087 1.00 . A A . 32 SER HA 1 1 10 4604 1 1 32 SER HB2 H -8.585 1.714 -2.164 1.00 . A A . 32 SER HB2 1 1 10 4605 1 1 32 SER HB3 H -8.690 0.031 -1.659 1.00 . A A . 32 SER HB3 1 1 10 4606 1 1 32 SER HG H -10.764 0.334 -1.644 1.00 . A A . 32 SER HG 1 1 10 4607 1 1 32 SER N N -6.942 0.966 -0.101 1.00 . A A . 32 SER N 1 1 10 4608 1 1 32 SER O O -8.965 -0.494 1.218 1.00 . A A . 32 SER O 1 1 10 4609 1 1 32 SER OXT O -9.831 1.389 1.812 1.00 . A A . 32 SER OXT 1 1 10 4610 1 1 32 SER OG O -10.383 1.168 -1.357 1.00 . A A . 32 SER OG 1 1 stop_ save_
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