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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
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616429 |
5lo4 ![]() ![]() |
34033 | cing | 4-filtered-FRED | STAR | entry | full | 335 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5lo4 # This FRED archive file contains, for PDB entry <5lo4>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_5lo4 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5lo4 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 3374.84 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 $PPa_CH3 A . 1 1 stop_ loop_ _PDBX_nonpoly_scheme.Entity_assembly_ID _PDBX_nonpoly_scheme.Entity_ID _PDBX_nonpoly_scheme.Mon_ID _PDBX_nonpoly_scheme.Comp_index_ID _PDBX_nonpoly_scheme.Comp_ID _PDBX_nonpoly_scheme.Entry_ID _PDBX_nonpoly_scheme.Assembly_ID 1 1 ACE 1 ACE 1 1 1 1 PRO 2 PRO 1 1 1 1 PRO 3 PRO 1 1 1 1 THR 4 THR 1 1 1 1 LYS 5 LYS 1 1 1 1 PRO 6 PRO 1 1 1 1 THR 7 THR 1 1 1 1 LYS 8 LYS 1 1 1 1 PRO 9 PRO 1 1 1 1 GLY 10 GLY 1 1 1 1 ASP 11 ASP 1 1 1 1 ASN 12 ASN 1 1 1 1 ALA 13 ALA 1 1 1 1 THR 14 THR 1 1 1 1 PRO 15 PRO 1 1 1 1 GLU 16 GLU 1 1 1 1 LYS 17 LYS 1 1 1 1 LEU 18 LEU 1 1 1 1 ALA 19 ALA 1 1 1 1 LYS 20 LYS 1 1 1 1 4PH 21 4PH 1 1 1 1 GLN 22 GLN 1 1 1 1 ALA 23 ALA 1 1 1 1 ASP 24 ASP 1 1 1 1 LEU 25 LEU 1 1 1 1 ALA 26 ALA 1 1 1 1 LYS 27 LYS 1 1 1 1 4PH 28 4PH 1 1 1 1 GLN 29 GLN 1 1 1 1 LYS 30 LYS 1 1 1 1 ASP 31 ASP 1 1 1 1 LEU 32 LEU 1 1 1 1 ALA 33 ALA 1 1 1 1 ASP 34 ASP 1 1 1 1 4PH 35 4PH 1 1 1 1 NH2 36 NH2 1 1 stop_ save_ save_PPa_CH3 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "PPa CH3" _Entity.Type non-polymer 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 ACE $ACE 1 1 2 PRO . 1 1 3 PRO . 1 1 4 THR . 1 1 5 LYS . 1 1 6 PRO . 1 1 7 THR . 1 1 8 LYS . 1 1 9 PRO . 1 1 10 GLY . 1 1 11 ASP . 1 1 12 ASN . 1 1 13 ALA . 1 1 14 THR . 1 1 15 PRO . 1 1 16 GLU . 1 1 17 LYS . 1 1 18 LEU . 1 1 19 ALA . 1 1 20 LYS . 1 1 21 4PH $4PH 1 1 22 GLN . 1 1 23 ALA . 1 1 24 ASP . 1 1 25 LEU . 1 1 26 ALA . 1 1 27 LYS . 1 1 28 4PH $4PH 1 1 29 GLN . 1 1 30 LYS . 1 1 31 ASP . 1 1 32 LEU . 1 1 33 ALA . 1 1 34 ASP . 1 1 35 4PH $4PH 1 1 36 NH2 $NH2 1 1 stop_ save_ save_4PH _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID 4PH _Chem_comp.Type non-polymer save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _Chem_comp.Type non-polymer 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 2 . OR 1 1 32 2 . 3 . 1 1 32 3 . . . 1 1 33 1 2 . OR 1 1 33 2 . 3 . 1 1 33 3 . . . 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 2 . OR 1 1 43 2 . 3 . 1 1 43 3 . . . 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 2 . OR 1 1 55 2 . 3 . 1 1 55 3 . . . 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 2 . OR 1 1 89 2 . 3 . 1 1 89 3 . . . 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 2 . OR 1 1 97 2 . 3 . 1 1 97 3 . 4 . 1 1 97 4 . . . 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 2 . OR 1 1 119 2 . 3 . 1 1 119 3 . . . 1 1 120 1 . . . 1 1 121 1 2 . OR 1 1 121 2 . 3 . 1 1 121 3 . . . 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 2 . OR 1 1 128 2 . 3 . 1 1 128 3 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 2 . OR 1 1 132 2 . 3 . 1 1 132 3 . . . 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 2 . OR 1 1 209 2 . 3 . 1 1 209 3 . . . 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 2 . OR 1 1 238 2 . 3 . 1 1 238 3 . . . 1 1 239 1 . . . 1 1 240 1 2 . OR 1 1 240 2 . 3 . 1 1 240 3 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 PRO HA . 1 . HA 1 1 1 1 2 1 1 2 PRO HB2 . 1 . HB1 1 1 2 1 1 1 1 2 PRO HA . 1 . HA 1 1 2 1 2 1 1 3 PRO HD2 . 2 . HD1 1 1 3 1 1 1 1 2 PRO HA . 1 . HA 1 1 3 1 2 1 1 3 PRO HD3 . 2 . HD2 1 1 4 1 1 1 1 2 PRO HB2 . 1 . HB1 1 1 4 1 1 1 1 2 PRO HG3 . 1 . HG2 1 1 4 1 2 1 1 3 PRO HD2 . 2 . HD1 1 1 5 1 1 1 1 2 PRO HB2 . 1 . HB1 1 1 5 1 1 1 1 2 PRO HG3 . 1 . HG2 1 1 5 1 2 1 1 3 PRO HD3 . 2 . HD2 1 1 6 1 1 1 1 2 PRO HD3 . 1 . HD2 1 1 6 1 2 1 1 2 PRO HG3 . 1 . HG2 1 1 7 1 1 1 1 3 PRO HA . 2 . HA 1 1 7 1 2 1 1 3 PRO HB3 . 2 . HB2 1 1 8 1 1 1 1 3 PRO HA . 2 . HA 1 1 8 1 2 1 1 4 THR H . 3 . HN 1 1 9 1 1 1 1 3 PRO HB2 . 2 . HB1 1 1 9 1 2 1 1 4 THR H . 3 . HN 1 1 10 1 1 1 1 3 PRO HB3 . 2 . HB2 1 1 10 1 2 1 1 4 THR H . 3 . HN 1 1 11 1 1 1 1 3 PRO HD2 . 2 . HD1 1 1 11 1 2 1 1 3 PRO HG3 . 2 . HG2 1 1 12 1 1 1 1 3 PRO HD3 . 2 . HD2 1 1 12 1 2 1 1 3 PRO HG2 . 2 . HG1 1 1 13 1 1 1 1 3 PRO HD3 . 2 . HD2 1 1 13 1 2 1 1 3 PRO HG3 . 2 . HG2 1 1 14 1 1 1 1 3 PRO HG2 . 2 . HG1 1 1 14 1 2 1 1 32 LEU HA . 31 . HA 1 1 15 1 1 1 1 3 PRO HG3 . 2 . HG2 1 1 15 1 2 1 1 32 LEU HA . 31 . HA 1 1 16 1 1 1 1 4 THR H . 3 . HN 1 1 16 1 2 1 1 4 THR HA . 3 . HA 1 1 17 1 1 1 1 4 THR H . 3 . HN 1 1 17 1 2 1 1 4 THR HB . 3 . HB 1 1 18 1 1 1 1 4 THR H . 3 . HN 1 1 18 1 2 1 1 4 THR MG . 3 . HG21 1 1 19 1 1 1 1 4 THR HA . 3 . HA 1 1 19 1 2 1 1 4 THR HB . 3 . HB 1 1 20 1 1 1 1 4 THR HA . 3 . HA 1 1 20 1 2 1 1 4 THR MG . 3 . HG21 1 1 21 1 1 1 1 4 THR HA . 3 . HA 1 1 21 1 2 1 1 5 LYS H . 4 . HN 1 1 22 1 1 1 1 4 THR HB . 3 . HB 1 1 22 1 2 1 1 4 THR MG . 3 . HG21 1 1 23 1 1 1 1 4 THR HB . 3 . HB 1 1 23 1 1 1 1 7 THR HB . 6 . HB 1 1 23 1 2 1 1 6 PRO HA . 5 . HA 1 1 24 1 1 1 1 4 THR MG . 3 . HG21 1 1 24 1 2 1 1 5 LYS H . 4 . HN 1 1 25 1 1 1 1 5 LYS H . 4 . HN 1 1 25 1 2 1 1 5 LYS HA . 4 . HA 1 1 26 1 1 1 1 5 LYS H . 4 . HN 1 1 26 1 2 1 1 5 LYS HB3 . 4 . HB2 1 1 27 1 1 1 1 5 LYS H . 4 . HN 1 1 27 1 2 1 1 5 LYS QG . 4 . HG1 1 1 28 1 1 1 1 5 LYS HA . 4 . HA 1 1 28 1 2 1 1 5 LYS HB2 . 4 . HB1 1 1 29 1 1 1 1 5 LYS HA . 4 . HA 1 1 29 1 1 1 1 5 LYS HE3 . 4 . HE2 1 1 29 1 2 1 1 5 LYS QG . 4 . HG1 1 1 30 1 1 1 1 5 LYS HA . 4 . HA 1 1 30 1 2 1 1 5 LYS QG . 4 . HG2 1 1 31 1 1 1 1 5 LYS HA . 4 . HA 1 1 31 1 2 1 1 6 PRO QD . 5 . HD2 1 1 32 2 1 1 1 5 LYS HA . 4 . HA 1 1 32 2 2 1 1 6 PRO QG . 5 . HG2 1 1 32 3 1 1 1 23 ALA MB . 22 . HB1 1 1 32 3 1 1 1 25 LEU HB2 . 24 . HB1 1 1 32 3 2 1 1 24 ASP HB3 . 23 . HB2 1 1 33 2 1 1 1 5 LYS HA . 4 . HA 1 1 33 2 1 1 1 9 PRO HD3 . 8 . HD1 1 1 33 2 2 1 1 25 LEU H . 24 . HN 1 1 33 3 1 1 1 12 ASN QB . 11 . HB1 1 1 33 3 2 1 1 16 GLU H . 15 . HN 1 1 34 1 1 1 1 5 LYS HB3 . 4 . HB2 1 1 34 1 2 1 1 5 LYS QG . 4 . HG2 1 1 35 1 1 1 1 5 LYS QG . 4 . HG1 1 1 35 1 2 1 1 6 PRO QD . 5 . HD2 1 1 36 1 1 1 1 5 LYS QG . 4 . HG1 1 1 36 1 2 1 1 6 PRO QG . 5 . HG2 1 1 37 1 1 1 1 6 PRO HA . 5 . HA 1 1 37 1 2 1 1 6 PRO HB3 . 5 . HB2 1 1 38 1 1 1 1 6 PRO HA . 5 . HA 1 1 38 1 2 1 1 7 THR H . 6 . HN 1 1 39 1 1 1 1 6 PRO HB3 . 5 . HB2 1 1 39 1 2 1 1 7 THR H . 6 . HN 1 1 40 1 1 1 1 6 PRO QD . 5 . HD2 1 1 40 1 2 1 1 6 PRO QG . 5 . HG2 1 1 41 1 1 1 1 6 PRO QD . 5 . HD2 1 1 41 1 2 1 1 25 LEU QD . 24 . HD11 1 1 42 1 1 1 1 6 PRO QG . 5 . HG2 1 1 42 1 1 1 1 25 LEU HB2 . 24 . HB1 1 1 42 1 2 1 1 25 LEU HA . 24 . HA 1 1 43 2 1 1 1 6 PRO QG . 5 . HG2 1 1 43 2 2 1 1 25 LEU MD1 . 24 . HD11 1 1 43 3 1 1 1 25 LEU HB2 . 24 . HB1 1 1 43 3 2 1 1 25 LEU MD2 . 24 . HD21 1 1 44 1 1 1 1 7 THR H . 6 . HN 1 1 44 1 2 1 1 7 THR HA . 6 . HA 1 1 45 1 1 1 1 7 THR H . 6 . HN 1 1 45 1 2 1 1 7 THR HB . 6 . HB 1 1 46 1 1 1 1 7 THR H . 6 . HN 1 1 46 1 2 1 1 7 THR MG . 6 . HG21 1 1 47 1 1 1 1 7 THR HA . 6 . HA 1 1 47 1 2 1 1 7 THR HB . 6 . HB 1 1 48 1 1 1 1 7 THR HA . 6 . HA 1 1 48 1 2 1 1 7 THR MG . 6 . HG21 1 1 49 1 1 1 1 7 THR HA . 6 . HA 1 1 49 1 2 1 1 8 LYS H . 7 . HN 1 1 50 1 1 1 1 7 THR HB . 6 . HB 1 1 50 1 2 1 1 7 THR MG . 6 . HG21 1 1 51 1 1 1 1 7 THR HB . 6 . HB 1 1 51 1 2 1 1 8 LYS H . 7 . HN 1 1 52 1 1 1 1 7 THR MG . 6 . HG21 1 1 52 1 2 1 1 8 LYS H . 7 . HN 1 1 53 1 1 1 1 8 LYS H . 7 . HN 1 1 53 1 2 1 1 8 LYS HA . 7 . HA 1 1 54 1 1 1 1 8 LYS H . 7 . HN 1 1 54 1 2 1 1 8 LYS HD2 . 7 . HD1 1 1 55 2 1 1 1 8 LYS H . 7 . HN 1 1 55 2 2 1 1 8 LYS HD3 . 7 . HD2 1 1 55 3 1 1 1 12 ASN H . 11 . HN 1 1 55 3 2 1 1 14 THR MG . 13 . HG21 1 1 56 1 1 1 1 8 LYS HA . 7 . HA 1 1 56 1 2 1 1 8 LYS HD2 . 7 . HD1 1 1 57 1 1 1 1 8 LYS HA . 7 . HA 1 1 57 1 2 1 1 8 LYS HD3 . 7 . HD2 1 1 58 1 1 1 1 8 LYS HA . 7 . HA 1 1 58 1 2 1 1 8 LYS QG . 7 . HG1 1 1 59 1 1 1 1 8 LYS HA . 7 . HA 1 1 59 1 2 1 1 9 PRO HD2 . 8 . HD2 1 1 60 1 1 1 1 8 LYS HA . 7 . HA 1 1 60 1 2 1 1 9 PRO HD3 . 8 . HD1 1 1 61 1 1 1 1 8 LYS HD2 . 7 . HD1 1 1 61 1 2 1 1 8 LYS QG . 7 . HG1 1 1 62 1 1 1 1 8 LYS HD3 . 7 . HD2 1 1 62 1 2 1 1 8 LYS QG . 7 . HG1 1 1 63 1 1 1 1 8 LYS QE . 7 . HE1 1 1 63 1 2 1 1 8 LYS QG . 7 . HG1 1 1 64 1 1 1 1 9 PRO HA . 8 . HA 1 1 64 1 2 1 1 9 PRO HB3 . 8 . HB2 1 1 65 1 1 1 1 9 PRO HA . 8 . HA 1 1 65 1 2 1 1 9 PRO HG2 . 8 . HG1 1 1 66 1 1 1 1 9 PRO HA . 8 . HA 1 1 66 1 2 1 1 9 PRO QG . 8 . HG1 1 1 67 1 1 1 1 9 PRO HA . 8 . HA 1 1 67 1 2 1 1 9 PRO HG3 . 8 . HG2 1 1 68 1 1 1 1 9 PRO HA . 8 . HA 1 1 68 1 2 1 1 10 GLY H . 9 . HN 1 1 69 1 1 1 1 9 PRO HA . 8 . HA 1 1 69 1 1 1 1 11 ASP HA . 10 . HA 1 1 69 1 2 1 1 10 GLY HA3 . 9 . HA2 1 1 70 1 1 1 1 9 PRO HA . 8 . HA 1 1 70 1 1 1 1 11 ASP HA . 10 . HA 1 1 70 1 2 1 1 12 ASN H . 11 . HN 1 1 71 1 1 1 1 9 PRO HA . 8 . HA 1 1 71 1 1 1 1 11 ASP HA . 10 . HA 1 1 71 1 2 1 1 13 ALA MB . 12 . HB1 1 1 72 1 1 1 1 9 PRO HB2 . 8 . HB1 1 1 72 1 2 1 1 9 PRO HD2 . 8 . HD2 1 1 73 1 1 1 1 9 PRO HB2 . 8 . HB1 1 1 73 1 2 1 1 13 ALA MB . 12 . HB1 1 1 74 1 1 1 1 9 PRO HB2 . 8 . HB1 1 1 74 1 2 1 1 14 THR H . 13 . HN 1 1 75 1 1 1 1 9 PRO HB3 . 8 . HB2 1 1 75 1 2 1 1 10 GLY H . 9 . HN 1 1 76 1 1 1 1 9 PRO HB3 . 8 . HB2 1 1 76 1 2 1 1 13 ALA MB . 12 . HB1 1 1 77 1 1 1 1 9 PRO HD2 . 8 . HD2 1 1 77 1 2 1 1 9 PRO HG2 . 8 . HG1 1 1 78 1 1 1 1 9 PRO HD2 . 8 . HD2 1 1 78 1 2 1 1 9 PRO QG . 8 . HG1 1 1 79 1 1 1 1 9 PRO HD2 . 8 . HD2 1 1 79 1 2 1 1 18 LEU MD1 . 17 . HD11 1 1 80 1 1 1 1 9 PRO HD3 . 8 . HD1 1 1 80 1 1 1 1 12 ASN HB3 . 11 . HB2 1 1 80 1 2 1 1 18 LEU MD1 . 17 . HD11 1 1 81 1 1 1 1 10 GLY H . 9 . HN 1 1 81 1 2 1 1 10 GLY HA2 . 9 . HA1 1 1 82 1 1 1 1 10 GLY H . 9 . HN 1 1 82 1 2 1 1 10 GLY HA3 . 9 . HA2 1 1 83 1 1 1 1 10 GLY H . 9 . HN 1 1 83 1 2 1 1 13 ALA MB . 12 . HB1 1 1 84 1 1 1 1 10 GLY HA2 . 9 . HA1 1 1 84 1 2 1 1 11 ASP H . 10 . HN 1 1 85 1 1 1 1 10 GLY HA3 . 9 . HA2 1 1 85 1 2 1 1 11 ASP H . 10 . HN 1 1 86 1 1 1 1 11 ASP H . 10 . HN 1 1 86 1 2 1 1 11 ASP HB2 . 10 . HB1 1 1 87 1 1 1 1 11 ASP H . 10 . HN 1 1 87 1 2 1 1 11 ASP HB3 . 10 . HB2 1 1 88 1 1 1 1 11 ASP HA . 10 . HA 1 1 88 1 2 1 1 11 ASP HB2 . 10 . HB1 1 1 89 2 1 1 1 11 ASP HA . 10 . HA 1 1 89 2 2 1 1 11 ASP HB2 . 10 . HB1 1 1 89 3 1 1 1 31 ASP HA . 30 . HA 1 1 89 3 2 1 1 34 ASP HB2 . 33 . HB1 1 1 90 1 1 1 1 12 ASN H . 11 . HN 1 1 90 1 2 1 1 12 ASN HA . 11 . HA 1 1 91 1 1 1 1 12 ASN H . 11 . HN 1 1 91 1 2 1 1 12 ASN HB3 . 11 . HB2 1 1 92 1 1 1 1 12 ASN H . 11 . HN 1 1 92 1 2 1 1 13 ALA H . 12 . HN 1 1 93 1 1 1 1 12 ASN HA . 11 . HA 1 1 93 1 2 1 1 12 ASN QB . 11 . HB1 1 1 94 1 1 1 1 12 ASN HA . 11 . HA 1 1 94 1 2 1 1 13 ALA H . 12 . HN 1 1 95 1 1 1 1 12 ASN QB . 11 . HB1 1 1 95 1 2 1 1 12 ASN HD21 . 11 . HD21 1 1 96 1 1 1 1 12 ASN QB . 11 . HB1 1 1 96 1 2 1 1 13 ALA H . 12 . HN 1 1 97 2 1 1 1 12 ASN HB2 . 11 . HB1 1 1 97 2 2 1 1 19 ALA MB . 18 . HB1 1 1 97 2 2 1 1 20 LYS QG . 19 . HG1 1 1 97 3 1 1 1 12 ASN HB3 . 11 . HB2 1 1 97 3 2 1 1 20 LYS HG3 . 19 . HG2 1 1 97 4 1 1 1 20 LYS QG . 19 . HG1 1 1 97 4 1 1 1 26 ALA MB . 25 . HB1 1 1 97 4 1 1 1 27 LYS QG . 26 . HG1 1 1 97 4 2 1 1 24 ASP HB3 . 23 . HB2 1 1 98 1 1 1 1 12 ASN HB2 . 11 . HB1 1 1 98 1 2 1 1 12 ASN HD22 . 11 . HD22 1 1 99 1 1 1 1 13 ALA H . 12 . HN 1 1 99 1 2 1 1 13 ALA HA . 12 . HA 1 1 100 1 1 1 1 13 ALA H . 12 . HN 1 1 100 1 2 1 1 13 ALA MB . 12 . HB1 1 1 101 1 1 1 1 13 ALA H . 12 . HN 1 1 101 1 2 1 1 18 LEU MD1 . 17 . HD11 1 1 102 1 1 1 1 13 ALA HA . 12 . HA 1 1 102 1 2 1 1 13 ALA MB . 12 . HB1 1 1 103 1 1 1 1 13 ALA HA . 12 . HA 1 1 103 1 2 1 1 14 THR H . 13 . HN 1 1 104 1 1 1 1 13 ALA MB . 12 . HB1 1 1 104 1 2 1 1 14 THR H . 13 . HN 1 1 105 1 1 1 1 14 THR H . 13 . HN 1 1 105 1 2 1 1 14 THR HA . 13 . HA 1 1 106 1 1 1 1 14 THR H . 13 . HN 1 1 106 1 2 1 1 14 THR HB . 13 . HB 1 1 107 1 1 1 1 14 THR H . 13 . HN 1 1 107 1 2 1 1 14 THR MG . 13 . HG21 1 1 108 1 1 1 1 14 THR H . 13 . HN 1 1 108 1 2 1 1 17 LYS HB2 . 16 . HB2 1 1 109 1 1 1 1 14 THR HA . 13 . HA 1 1 109 1 2 1 1 14 THR HB . 13 . HB 1 1 110 1 1 1 1 14 THR HA . 13 . HA 1 1 110 1 2 1 1 14 THR MG . 13 . HG21 1 1 111 1 1 1 1 14 THR HA . 13 . HA 1 1 111 1 2 1 1 15 PRO QD . 14 . HD2 1 1 112 1 1 1 1 14 THR HB . 13 . HB 1 1 112 1 2 1 1 14 THR MG . 13 . HG21 1 1 113 1 1 1 1 14 THR HB . 13 . HB 1 1 113 1 1 1 1 15 PRO HA . 14 . HA 1 1 113 1 2 1 1 16 GLU H . 15 . HN 1 1 114 1 1 1 1 14 THR HB . 13 . HB 1 1 114 1 1 1 1 15 PRO HA . 14 . HA 1 1 114 1 2 1 1 17 LYS H . 16 . HN 1 1 115 1 1 1 1 14 THR HB . 13 . HB 1 1 115 1 2 1 1 15 PRO QD . 14 . HD2 1 1 116 1 1 1 1 14 THR MG . 13 . HG21 1 1 116 1 2 1 1 15 PRO QD . 14 . HD2 1 1 117 1 1 1 1 15 PRO HA . 14 . HA 1 1 117 1 2 1 1 16 GLU H . 15 . HN 1 1 118 1 1 1 1 15 PRO QB . 14 . HB1 1 1 118 1 2 1 1 15 PRO QD . 14 . HD2 1 1 119 2 1 1 1 15 PRO HB2 . 14 . HB1 1 1 119 2 1 1 1 16 GLU HB2 . 15 . HB1 1 1 119 2 2 1 1 16 GLU HA . 15 . HA 1 1 119 3 1 1 1 17 LYS HA . 16 . HA 1 1 119 3 2 1 1 20 LYS HB3 . 19 . HB2 1 1 120 1 1 1 1 15 PRO QD . 14 . HD2 1 1 120 1 2 1 1 15 PRO HG2 . 14 . HG1 1 1 121 2 1 1 1 15 PRO QD . 14 . HD1 1 1 121 2 2 1 1 16 GLU H . 15 . HN 1 1 121 3 1 1 1 25 LEU H . 24 . HN 1 1 121 3 2 1 1 25 LEU HA . 24 . HA 1 1 122 1 1 1 1 15 PRO QD . 14 . HD2 1 1 122 1 2 1 1 16 GLU QG . 15 . HG1 1 1 123 1 1 1 1 16 GLU H . 15 . HN 1 1 123 1 2 1 1 16 GLU HA . 15 . HA 1 1 124 1 1 1 1 16 GLU H . 15 . HN 1 1 124 1 2 1 1 16 GLU HB2 . 15 . HB1 1 1 125 1 1 1 1 16 GLU H . 15 . HN 1 1 125 1 2 1 1 16 GLU HB3 . 15 . HB2 1 1 126 1 1 1 1 16 GLU H . 15 . HN 1 1 126 1 2 1 1 16 GLU QG . 15 . HG1 1 1 127 1 1 1 1 16 GLU H . 15 . HN 1 1 127 1 2 1 1 17 LYS H . 16 . HN 1 1 128 2 1 1 1 16 GLU H . 15 . HN 1 1 128 2 2 1 1 19 ALA MB . 18 . HB1 1 1 128 3 1 1 1 25 LEU H . 24 . HN 1 1 128 3 2 1 1 26 ALA MB . 25 . HB1 1 1 129 1 1 1 1 16 GLU HA . 15 . HA 1 1 129 1 2 1 1 16 GLU HB3 . 15 . HB2 1 1 130 1 1 1 1 16 GLU HA . 15 . HA 1 1 130 1 2 1 1 16 GLU QG . 15 . HG2 1 1 131 1 1 1 1 16 GLU HA . 15 . HA 1 1 131 1 1 1 1 17 LYS HA . 16 . HA 1 1 131 1 2 1 1 17 LYS H . 16 . HN 1 1 132 2 1 1 1 16 GLU HA . 15 . HA 1 1 132 2 1 1 1 17 LYS HA . 16 . HA 1 1 132 2 1 1 1 18 LEU HA . 17 . HA 1 1 132 2 2 1 1 19 ALA MB . 18 . HB1 1 1 132 3 1 1 1 17 LYS HA . 16 . HA 1 1 132 3 2 1 1 20 LYS QG . 19 . HG2 1 1 133 1 1 1 1 16 GLU HB2 . 15 . HB1 1 1 133 1 2 1 1 16 GLU QG . 15 . HG2 1 1 134 1 1 1 1 16 GLU HB2 . 15 . HB1 1 1 134 1 2 1 1 17 LYS H . 16 . HN 1 1 135 1 1 1 1 16 GLU HB3 . 15 . HB2 1 1 135 1 2 1 1 17 LYS H . 16 . HN 1 1 136 1 1 1 1 17 LYS H . 16 . HN 1 1 136 1 2 1 1 17 LYS HA . 16 . HA 1 1 137 1 1 1 1 17 LYS H . 16 . HN 1 1 137 1 2 1 1 17 LYS HB2 . 16 . HB2 1 1 138 1 1 1 1 17 LYS H . 16 . HN 1 1 138 1 2 1 1 17 LYS HB3 . 16 . HB1 1 1 139 1 1 1 1 17 LYS H . 16 . HN 1 1 139 1 2 1 1 18 LEU H . 17 . HN 1 1 140 1 1 1 1 17 LYS HA . 16 . HA 1 1 140 1 2 1 1 17 LYS HB2 . 16 . HB2 1 1 141 1 1 1 1 17 LYS HA . 16 . HA 1 1 141 1 1 1 1 18 LEU HA . 17 . HA 1 1 141 1 2 1 1 18 LEU H . 17 . HN 1 1 142 1 1 1 1 17 LYS HA . 16 . HA 1 1 142 1 1 1 1 18 LEU HA . 17 . HA 1 1 142 1 2 1 1 19 ALA H . 18 . HN 1 1 143 1 1 1 1 17 LYS HA . 16 . HA 1 1 143 1 1 1 1 20 LYS HA . 19 . HA 1 1 143 1 2 1 1 20 LYS H . 19 . HN 1 1 144 1 1 1 1 17 LYS HB3 . 16 . HB1 1 1 144 1 2 1 1 18 LEU H . 17 . HN 1 1 145 1 1 1 1 18 LEU H . 17 . HN 1 1 145 1 2 1 1 18 LEU HA . 17 . HA 1 1 146 1 1 1 1 18 LEU H . 17 . HN 1 1 146 1 2 1 1 18 LEU HB2 . 17 . HB1 1 1 147 1 1 1 1 18 LEU H . 17 . HN 1 1 147 1 2 1 1 18 LEU HB3 . 17 . HB2 1 1 148 1 1 1 1 18 LEU H . 17 . HN 1 1 148 1 2 1 1 18 LEU MD1 . 17 . HD11 1 1 149 1 1 1 1 18 LEU H . 17 . HN 1 1 149 1 2 1 1 18 LEU MD2 . 17 . HD21 1 1 150 1 1 1 1 18 LEU H . 17 . HN 1 1 150 1 2 1 1 19 ALA MB . 18 . HB1 1 1 151 1 1 1 1 18 LEU HA . 17 . HA 1 1 151 1 2 1 1 18 LEU HB2 . 17 . HB1 1 1 152 1 1 1 1 18 LEU HA . 17 . HA 1 1 152 1 2 1 1 18 LEU HB3 . 17 . HB2 1 1 153 1 1 1 1 18 LEU HA . 17 . HA 1 1 153 1 2 1 1 18 LEU MD1 . 17 . HD11 1 1 154 1 1 1 1 18 LEU HA . 17 . HA 1 1 154 1 2 1 1 18 LEU MD2 . 17 . HD21 1 1 155 1 1 1 1 18 LEU HA . 17 . HA 1 1 155 1 2 1 1 19 ALA H . 18 . HN 1 1 156 1 1 1 1 18 LEU HB2 . 17 . HB1 1 1 156 1 2 1 1 18 LEU MD1 . 17 . HD11 1 1 157 1 1 1 1 18 LEU HB2 . 17 . HB1 1 1 157 1 2 1 1 18 LEU MD2 . 17 . HD21 1 1 158 1 1 1 1 18 LEU HB2 . 17 . HB1 1 1 158 1 2 1 1 19 ALA H . 18 . HN 1 1 159 1 1 1 1 18 LEU HB3 . 17 . HB2 1 1 159 1 2 1 1 18 LEU MD1 . 17 . HD11 1 1 160 1 1 1 1 18 LEU HB3 . 17 . HB2 1 1 160 1 2 1 1 18 LEU MD2 . 17 . HD21 1 1 161 1 1 1 1 18 LEU HB3 . 17 . HB2 1 1 161 1 2 1 1 19 ALA H . 18 . HN 1 1 162 1 1 1 1 18 LEU HB3 . 17 . HB2 1 1 162 1 2 1 1 19 ALA HA . 18 . HA 1 1 163 1 1 1 1 19 ALA H . 18 . HN 1 1 163 1 2 1 1 19 ALA HA . 18 . HA 1 1 164 1 1 1 1 19 ALA H . 18 . HN 1 1 164 1 2 1 1 19 ALA MB . 18 . HB1 1 1 165 1 1 1 1 19 ALA H . 18 . HN 1 1 165 1 2 1 1 20 LYS H . 19 . HN 1 1 166 1 1 1 1 19 ALA HA . 18 . HA 1 1 166 1 2 1 1 19 ALA MB . 18 . HB1 1 1 167 1 1 1 1 19 ALA HA . 18 . HA 1 1 167 1 2 1 1 20 LYS H . 19 . HN 1 1 167 1 2 1 1 22 GLN H . 21 . HN 1 1 168 1 1 1 1 19 ALA HA . 18 . HA 1 1 168 1 2 1 1 22 GLN H . 21 . HN 1 1 169 1 1 1 1 19 ALA HA . 18 . HA 1 1 169 1 2 1 1 22 GLN HB2 . 21 . HB2 1 1 170 1 1 1 1 19 ALA HA . 18 . HA 1 1 170 1 2 1 1 22 GLN HG2 . 21 . HG2 1 1 171 1 1 1 1 19 ALA MB . 18 . HB1 1 1 171 1 1 1 1 20 LYS QG . 19 . HG2 1 1 171 1 2 1 1 20 LYS H . 19 . HN 1 1 172 1 1 1 1 20 LYS H . 19 . HN 1 1 172 1 2 1 1 20 LYS HA . 19 . HA 1 1 173 1 1 1 1 20 LYS H . 19 . HN 1 1 173 1 2 1 1 20 LYS HB2 . 19 . HB1 1 1 174 1 1 1 1 20 LYS H . 19 . HN 1 1 174 1 2 1 1 20 LYS HB3 . 19 . HB2 1 1 175 1 1 1 1 20 LYS H . 19 . HN 1 1 175 1 2 1 1 20 LYS QG . 19 . HG2 1 1 176 1 1 1 1 20 LYS HA . 19 . HA 1 1 176 1 2 1 1 20 LYS HB2 . 19 . HB1 1 1 177 1 1 1 1 20 LYS HA . 19 . HA 1 1 177 1 2 1 1 20 LYS HB3 . 19 . HB2 1 1 178 1 1 1 1 20 LYS QG . 19 . HG1 1 1 178 1 1 1 1 26 ALA MB . 25 . HB1 1 1 178 1 1 1 1 27 LYS HG3 . 26 . HG2 1 1 178 1 2 1 1 24 ASP H . 23 . HN 1 1 179 1 1 1 1 22 GLN H . 21 . HN 1 1 179 1 2 1 1 22 GLN HA . 21 . HA 1 1 180 1 1 1 1 22 GLN H . 21 . HN 1 1 180 1 2 1 1 22 GLN HB2 . 21 . HB2 1 1 181 1 1 1 1 22 GLN H . 21 . HN 1 1 181 1 2 1 1 22 GLN HG2 . 21 . HG2 1 1 182 1 1 1 1 22 GLN H . 21 . HN 1 1 182 1 2 1 1 23 ALA MB . 22 . HB1 1 1 182 1 2 1 1 25 LEU HB2 . 24 . HB1 1 1 183 1 1 1 1 22 GLN HA . 21 . HA 1 1 183 1 2 1 1 22 GLN HB2 . 21 . HB2 1 1 184 1 1 1 1 22 GLN HA . 21 . HA 1 1 184 1 2 1 1 22 GLN HG2 . 21 . HG2 1 1 185 1 1 1 1 22 GLN HA . 21 . HA 1 1 185 1 2 1 1 23 ALA H . 22 . HN 1 1 186 1 1 1 1 22 GLN HA . 21 . HA 1 1 186 1 2 1 1 25 LEU H . 24 . HN 1 1 187 1 1 1 1 22 GLN HA . 21 . HA 1 1 187 1 2 1 1 25 LEU HB2 . 24 . HB1 1 1 188 1 1 1 1 22 GLN HA . 21 . HA 1 1 188 1 2 1 1 25 LEU HB3 . 24 . HB2 1 1 189 1 1 1 1 22 GLN HA . 21 . HA 1 1 189 1 2 1 1 25 LEU QD . 24 . HD21 1 1 190 1 1 1 1 22 GLN QB . 21 . HB1 1 1 190 1 2 1 1 22 GLN HG2 . 21 . HG2 1 1 191 1 1 1 1 22 GLN QB . 21 . HB1 1 1 191 1 2 1 1 22 GLN HG3 . 21 . HG1 1 1 192 1 1 1 1 22 GLN QB . 21 . HB1 1 1 192 1 2 1 1 23 ALA H . 22 . HN 1 1 193 1 1 1 1 22 GLN HB2 . 21 . HB2 1 1 193 1 2 1 1 22 GLN HG2 . 21 . HG2 1 1 194 1 1 1 1 22 GLN HB2 . 21 . HB2 1 1 194 1 2 1 1 23 ALA H . 22 . HN 1 1 195 1 1 1 1 22 GLN HE21 . 21 . HE21 1 1 195 1 2 1 1 22 GLN HG2 . 21 . HG2 1 1 196 1 1 1 1 23 ALA H . 22 . HN 1 1 196 1 2 1 1 23 ALA MB . 22 . HB1 1 1 197 1 1 1 1 23 ALA H . 22 . HN 1 1 197 1 2 1 1 24 ASP H . 23 . HN 1 1 198 1 1 1 1 23 ALA HA . 22 . HA 1 1 198 1 2 1 1 23 ALA MB . 22 . HB1 1 1 199 1 1 1 1 23 ALA HA . 22 . HA 1 1 199 1 2 1 1 24 ASP H . 23 . HN 1 1 200 1 1 1 1 23 ALA HA . 22 . HA 1 1 200 1 2 1 1 26 ALA H . 25 . HN 1 1 201 1 1 1 1 23 ALA MB . 22 . HB1 1 1 201 1 2 1 1 24 ASP H . 23 . HN 1 1 202 1 1 1 1 24 ASP H . 23 . HN 1 1 202 1 2 1 1 24 ASP HA . 23 . HA 1 1 203 1 1 1 1 24 ASP H . 23 . HN 1 1 203 1 2 1 1 24 ASP HB2 . 23 . HB1 1 1 204 1 1 1 1 24 ASP H . 23 . HN 1 1 204 1 2 1 1 24 ASP HB3 . 23 . HB2 1 1 205 1 1 1 1 24 ASP H . 23 . HN 1 1 205 1 2 1 1 25 LEU H . 24 . HN 1 1 206 1 1 1 1 24 ASP HA . 23 . HA 1 1 206 1 2 1 1 24 ASP HB2 . 23 . HB1 1 1 207 1 1 1 1 24 ASP HA . 23 . HA 1 1 207 1 2 1 1 27 LYS H . 26 . HN 1 1 208 1 1 1 1 24 ASP HA . 23 . HA 1 1 208 1 2 1 1 27 LYS HB2 . 26 . HB1 1 1 209 2 1 1 1 24 ASP HA . 23 . HA 1 1 209 2 2 1 1 27 LYS QG . 26 . HG1 1 1 209 3 1 1 1 33 ALA MB . 32 . HB1 1 1 209 3 2 1 1 34 ASP HA . 33 . HA 1 1 210 1 1 1 1 25 LEU H . 24 . HN 1 1 210 1 2 1 1 25 LEU HA . 24 . HA 1 1 211 1 1 1 1 25 LEU H . 24 . HN 1 1 211 1 2 1 1 25 LEU HB2 . 24 . HB1 1 1 212 1 1 1 1 25 LEU H . 24 . HN 1 1 212 1 2 1 1 25 LEU HB3 . 24 . HB2 1 1 213 1 1 1 1 25 LEU H . 24 . HN 1 1 213 1 2 1 1 25 LEU QD . 24 . HD11 1 1 214 1 1 1 1 25 LEU H . 24 . HN 1 1 214 1 2 1 1 26 ALA H . 25 . HN 1 1 215 1 1 1 1 25 LEU HA . 24 . HA 1 1 215 1 2 1 1 25 LEU HB2 . 24 . HB1 1 1 216 1 1 1 1 25 LEU HA . 24 . HA 1 1 216 1 2 1 1 25 LEU HB3 . 24 . HB2 1 1 217 1 1 1 1 25 LEU HA . 24 . HA 1 1 217 1 2 1 1 25 LEU QD . 24 . HD11 1 1 218 1 1 1 1 25 LEU HA . 24 . HA 1 1 218 1 2 1 1 26 ALA H . 25 . HN 1 1 219 1 1 1 1 25 LEU HB2 . 24 . HB1 1 1 219 1 2 1 1 25 LEU QD . 24 . HD21 1 1 220 1 1 1 1 25 LEU HB2 . 24 . HB1 1 1 220 1 2 1 1 26 ALA H . 25 . HN 1 1 221 1 1 1 1 25 LEU HB3 . 24 . HB2 1 1 221 1 2 1 1 25 LEU QD . 24 . HD11 1 1 222 1 1 1 1 25 LEU HB3 . 24 . HB2 1 1 222 1 2 1 1 26 ALA H . 25 . HN 1 1 223 1 1 1 1 25 LEU QD . 24 . HD11 1 1 223 1 2 1 1 26 ALA H . 25 . HN 1 1 224 1 1 1 1 25 LEU QD . 24 . HD21 1 1 224 1 2 1 1 29 GLN HE21 . 28 . HE21 1 1 225 1 1 1 1 25 LEU QD . 24 . HD11 1 1 225 1 2 1 1 29 GLN HG2 . 28 . HG1 1 1 226 1 1 1 1 25 LEU QD . 24 . HD11 1 1 226 1 2 1 1 29 GLN HG3 . 28 . HG2 1 1 227 1 1 1 1 26 ALA H . 25 . HN 1 1 227 1 2 1 1 26 ALA HA . 25 . HA 1 1 228 1 1 1 1 26 ALA H . 25 . HN 1 1 228 1 2 1 1 26 ALA MB . 25 . HB1 1 1 229 1 1 1 1 26 ALA H . 25 . HN 1 1 229 1 2 1 1 27 LYS H . 26 . HN 1 1 230 1 1 1 1 26 ALA HA . 25 . HA 1 1 230 1 2 1 1 26 ALA MB . 25 . HB1 1 1 231 1 1 1 1 26 ALA HA . 25 . HA 1 1 231 1 2 1 1 29 GLN H . 28 . HN 1 1 232 1 1 1 1 26 ALA HA . 25 . HA 1 1 232 1 2 1 1 29 GLN HB2 . 28 . HB1 1 1 233 1 1 1 1 26 ALA MB . 25 . HB1 1 1 233 1 1 1 1 27 LYS HG3 . 26 . HG2 1 1 233 1 2 1 1 27 LYS H . 26 . HN 1 1 234 1 1 1 1 27 LYS H . 26 . HN 1 1 234 1 2 1 1 27 LYS HA . 26 . HA 1 1 235 1 1 1 1 27 LYS H . 26 . HN 1 1 235 1 2 1 1 27 LYS HB2 . 26 . HB1 1 1 236 1 1 1 1 27 LYS H . 26 . HN 1 1 236 1 2 1 1 27 LYS HB3 . 26 . HB2 1 1 237 1 1 1 1 27 LYS H . 26 . HN 1 1 237 1 2 1 1 27 LYS HG3 . 26 . HG2 1 1 238 2 1 1 1 27 LYS HA . 26 . HA 1 1 238 2 2 1 1 27 LYS HB2 . 26 . HB1 1 1 238 3 1 1 1 27 LYS HA . 26 . HA 1 1 238 3 1 1 1 30 LYS HA . 29 . HA 1 1 238 3 2 1 1 30 LYS HB2 . 29 . HB1 1 1 239 1 1 1 1 27 LYS HA . 26 . HA 1 1 239 1 2 1 1 27 LYS HB2 . 26 . HB1 1 1 240 2 1 1 1 27 LYS HA . 26 . HA 1 1 240 2 2 1 1 27 LYS HB3 . 26 . HB2 1 1 240 3 1 1 1 30 LYS HA . 29 . HA 1 1 240 3 2 1 1 30 LYS HB3 . 29 . HB2 1 1 241 1 1 1 1 27 LYS HA . 26 . HA 1 1 241 1 1 1 1 30 LYS HA . 29 . HA 1 1 241 1 2 1 1 30 LYS H . 29 . HN 1 1 242 1 1 1 1 27 LYS HA . 26 . HA 1 1 242 1 1 1 1 30 LYS HA . 29 . HA 1 1 242 1 2 1 1 30 LYS HB2 . 29 . HB1 1 1 243 1 1 1 1 29 GLN H . 28 . HN 1 1 243 1 2 1 1 29 GLN HA . 28 . HA 1 1 244 1 1 1 1 29 GLN H . 28 . HN 1 1 244 1 2 1 1 29 GLN HB2 . 28 . HB1 1 1 245 1 1 1 1 29 GLN H . 28 . HN 1 1 245 1 2 1 1 29 GLN HB3 . 28 . HB2 1 1 246 1 1 1 1 29 GLN H . 28 . HN 1 1 246 1 2 1 1 29 GLN HG2 . 28 . HG1 1 1 247 1 1 1 1 29 GLN H . 28 . HN 1 1 247 1 2 1 1 29 GLN HG3 . 28 . HG2 1 1 248 1 1 1 1 29 GLN H . 28 . HN 1 1 248 1 2 1 1 30 LYS H . 29 . HN 1 1 249 1 1 1 1 29 GLN HA . 28 . HA 1 1 249 1 2 1 1 29 GLN HB2 . 28 . HB1 1 1 250 1 1 1 1 29 GLN HA . 28 . HA 1 1 250 1 2 1 1 29 GLN HB3 . 28 . HB2 1 1 251 1 1 1 1 29 GLN HA . 28 . HA 1 1 251 1 2 1 1 29 GLN HG2 . 28 . HG1 1 1 252 1 1 1 1 29 GLN HA . 28 . HA 1 1 252 1 2 1 1 29 GLN HG3 . 28 . HG2 1 1 253 1 1 1 1 29 GLN HA . 28 . HA 1 1 253 1 2 1 1 32 LEU H . 31 . HN 1 1 254 1 1 1 1 29 GLN HA . 28 . HA 1 1 254 1 2 1 1 32 LEU HB3 . 31 . HB2 1 1 255 1 1 1 1 29 GLN HA . 28 . HA 1 1 255 1 2 1 1 32 LEU QD . 31 . HD21 1 1 256 1 1 1 1 29 GLN HB2 . 28 . HB1 1 1 256 1 2 1 1 30 LYS H . 29 . HN 1 1 257 1 1 1 1 29 GLN HB3 . 28 . HB2 1 1 257 1 2 1 1 29 GLN HG2 . 28 . HG1 1 1 258 1 1 1 1 29 GLN HE21 . 28 . HE21 1 1 258 1 2 1 1 29 GLN HG3 . 28 . HG2 1 1 259 1 1 1 1 30 LYS H . 29 . HN 1 1 259 1 2 1 1 30 LYS HA . 29 . HA 1 1 260 1 1 1 1 30 LYS H . 29 . HN 1 1 260 1 2 1 1 30 LYS HB2 . 29 . HB1 1 1 261 1 1 1 1 30 LYS H . 29 . HN 1 1 261 1 2 1 1 30 LYS HB3 . 29 . HB2 1 1 262 1 1 1 1 30 LYS H . 29 . HN 1 1 262 1 2 1 1 31 ASP H . 30 . HN 1 1 263 1 1 1 1 30 LYS HA . 29 . HA 1 1 263 1 2 1 1 31 ASP H . 30 . HN 1 1 264 1 1 1 1 30 LYS HB2 . 29 . HB1 1 1 264 1 2 1 1 31 ASP H . 30 . HN 1 1 265 1 1 1 1 30 LYS HB3 . 29 . HB2 1 1 265 1 2 1 1 31 ASP H . 30 . HN 1 1 266 1 1 1 1 31 ASP H . 30 . HN 1 1 266 1 2 1 1 31 ASP HA . 30 . HA 1 1 267 1 1 1 1 31 ASP H . 30 . HN 1 1 267 1 2 1 1 31 ASP HB2 . 30 . HB1 1 1 268 1 1 1 1 31 ASP H . 30 . HN 1 1 268 1 2 1 1 31 ASP HB3 . 30 . HB2 1 1 269 1 1 1 1 31 ASP H . 30 . HN 1 1 269 1 2 1 1 32 LEU H . 31 . HN 1 1 270 1 1 1 1 31 ASP H . 30 . HN 1 1 270 1 2 1 1 33 ALA H . 32 . HN 1 1 271 1 1 1 1 31 ASP HA . 30 . HA 1 1 271 1 2 1 1 31 ASP HB3 . 30 . HB2 1 1 272 1 1 1 1 31 ASP HA . 30 . HA 1 1 272 1 2 1 1 34 ASP H . 33 . HN 1 1 273 1 1 1 1 31 ASP HA . 30 . HA 1 1 273 1 2 1 1 34 ASP HB2 . 33 . HB1 1 1 274 1 1 1 1 31 ASP HB2 . 30 . HB1 1 1 274 1 2 1 1 32 LEU H . 31 . HN 1 1 275 1 1 1 1 31 ASP HB3 . 30 . HB2 1 1 275 1 2 1 1 32 LEU H . 31 . HN 1 1 276 1 1 1 1 32 LEU H . 31 . HN 1 1 276 1 2 1 1 32 LEU HA . 31 . HA 1 1 277 1 1 1 1 32 LEU H . 31 . HN 1 1 277 1 2 1 1 32 LEU HB3 . 31 . HB2 1 1 278 1 1 1 1 32 LEU H . 31 . HN 1 1 278 1 2 1 1 32 LEU QD . 31 . HD21 1 1 279 1 1 1 1 32 LEU H . 31 . HN 1 1 279 1 2 1 1 33 ALA H . 32 . HN 1 1 280 1 1 1 1 32 LEU HA . 31 . HA 1 1 280 1 2 1 1 32 LEU HB3 . 31 . HB2 1 1 281 1 1 1 1 32 LEU HA . 31 . HA 1 1 281 1 2 1 1 32 LEU QD . 31 . HD11 1 1 282 1 1 1 1 32 LEU HA . 31 . HA 1 1 282 1 2 1 1 33 ALA H . 32 . HN 1 1 283 1 1 1 1 32 LEU HB2 . 31 . HB1 1 1 283 1 2 1 1 32 LEU QD . 31 . HD21 1 1 284 1 1 1 1 32 LEU HB3 . 31 . HB2 1 1 284 1 2 1 1 32 LEU QD . 31 . HD21 1 1 285 1 1 1 1 32 LEU MD1 . 31 . HD11 1 1 285 1 2 1 1 32 LEU MD2 . 31 . HD21 1 1 286 1 1 1 1 32 LEU QD . 31 . HD11 1 1 286 1 2 1 1 33 ALA H . 32 . HN 1 1 287 1 1 1 1 33 ALA H . 32 . HN 1 1 287 1 2 1 1 33 ALA HA . 32 . HA 1 1 288 1 1 1 1 33 ALA H . 32 . HN 1 1 288 1 2 1 1 33 ALA MB . 32 . HB1 1 1 289 1 1 1 1 33 ALA H . 32 . HN 1 1 289 1 2 1 1 34 ASP H . 33 . HN 1 1 290 1 1 1 1 33 ALA HA . 32 . HA 1 1 290 1 2 1 1 33 ALA MB . 32 . HB1 1 1 291 1 1 1 1 33 ALA HA . 32 . HA 1 1 291 1 2 1 1 34 ASP H . 33 . HN 1 1 292 1 1 1 1 33 ALA MB . 32 . HB1 1 1 292 1 2 1 1 34 ASP H . 33 . HN 1 1 293 1 1 1 1 34 ASP H . 33 . HN 1 1 293 1 2 1 1 34 ASP HA . 33 . HA 1 1 294 1 1 1 1 34 ASP H . 33 . HN 1 1 294 1 2 1 1 34 ASP HB2 . 33 . HB1 1 1 295 1 1 1 1 34 ASP HA . 33 . HA 1 1 295 1 2 1 1 34 ASP QB . 33 . HB1 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 . . . . . 2.427 1.691 3.163 1 1 2 1 . . . . . 2.432 1.693 3.171 1 1 3 1 . . . . . 2.374 1.67 3.078 1 1 4 1 . . . . . 4.217 1.994 6.44 1 1 5 1 . . . . . 3.615 1.981 5.249 1 1 6 1 . . . . . 2.648 1.771 3.525 1 1 7 1 . . . . . 2.554 1.739 3.369 1 1 8 1 . . . . . 2.188 1.59 2.786 1 1 9 1 . . . . . 3.58 1.978 5.182 1 1 10 1 . . . . . 4.179 1.996 6.362 1 1 11 1 . . . . . 2.579 1.748 3.41 1 1 12 1 . . . . . 2.481 1.711 3.251 1 1 13 1 . . . . . 2.965 1.866 4.064 1 1 14 1 . . . . . 3.499 1.969 5.029 1 1 15 1 . . . . . 3.057 1.889 4.225 1 1 16 1 . . . . . 2.805 2.198 3.412 1 1 17 1 . . . . . 2.595 1.753 3.437 1 1 18 1 . . . . . 3.556 1.975 5.137 1 1 19 1 . . . . . 2.724 1.797 3.651 1 1 20 1 . . . . . 2.159 1.576 2.742 1 1 21 1 . . . . . 2.075 1.537 2.613 1 1 22 1 . . . . . 1.98 1.49 2.47 1 1 23 1 . . . . . 4.048 2.0 6.096 1 1 24 1 . . . . . 2.325 1.65 3.0 1 1 25 1 . . . . . 2.996 1.874 4.118 1 1 26 1 . . . . . 2.594 1.753 3.435 1 1 27 1 . . . . . 4.572 1.959 7.185 1 1 28 1 . . . . . 2.922 1.854 3.99 1 1 29 1 . . . . . 3.209 1.922 4.496 1 1 30 1 . . . . . 3.068 1.891 4.227 1 1 31 1 . . . . . 2.499 1.804 3.28 1 1 32 2 . . . . . 3.519 1.971 5.067 1 1 32 3 . . . . . 3.519 1.971 5.067 1 1 33 2 . . . . . 5.024 3.099 6.949 1 1 33 3 . . . . . 5.024 3.099 6.949 1 1 34 1 . . . . . 2.196 1.593 2.799 1 1 35 1 . . . . . 2.838 1.983 3.845 1 1 36 1 . . . . . 3.311 2.323 4.299 1 1 37 1 . . . . . 2.717 1.794 3.64 1 1 38 1 . . . . . 2.082 1.54 2.624 1 1 39 1 . . . . . 3.168 1.913 4.423 1 1 40 1 . . . . . 2.176 1.926 2.768 1 1 41 1 . . . . . 2.681 1.994 3.58 1 1 42 1 . . . . . 3.17 1.914 4.426 1 1 43 2 . . . . . 2.175 1.584 2.766 1 1 43 3 . . . . . 2.175 1.584 2.766 1 1 44 1 . . . . . 2.768 1.81 3.726 1 1 45 1 . . . . . 2.866 2.106 3.626 1 1 46 1 . . . . . 2.915 1.853 3.977 1 1 47 1 . . . . . 2.304 1.64 2.968 1 1 48 1 . . . . . 2.058 1.529 2.587 1 1 49 1 . . . . . 2.026 1.513 2.539 1 1 50 1 . . . . . 1.951 1.475 2.427 1 1 51 1 . . . . . 3.012 1.878 4.146 1 1 52 1 . . . . . 2.812 2.085 3.539 1 1 53 1 . . . . . 2.832 1.829 3.835 1 1 54 1 . . . . . 3.729 1.991 5.467 1 1 55 2 . . . . . 3.243 1.928 4.558 1 1 55 3 . . . . . 3.243 1.928 4.558 1 1 56 1 . . . . . 4.751 1.93 7.572 1 1 57 1 . . . . . 3.393 1.954 4.832 1 1 58 1 . . . . . 2.942 1.86 4.024 1 1 59 1 . . . . . 2.469 1.707 3.231 1 1 60 1 . . . . . 2.263 1.623 2.903 1 1 61 1 . . . . . 2.356 1.662 3.05 1 1 62 1 . . . . . 2.518 1.725 3.311 1 1 63 1 . . . . . 3.188 1.917 4.459 1 1 64 1 . . . . . 2.363 1.665 3.061 1 1 65 1 . . . . . 3.299 1.939 4.659 1 1 66 1 . . . . . 3.48 1.966 4.994 1 1 67 1 . . . . . 3.807 1.996 5.618 1 1 68 1 . . . . . 2.212 1.6 2.824 1 1 69 1 . . . . . 3.988 2.0 5.976 1 1 70 1 . . . . . 3.48 1.967 4.993 1 1 71 1 . . . . . 3.319 1.942 4.696 1 1 72 1 . . . . . 2.825 2.15 3.5 1 1 73 1 . . . . . 2.301 1.639 2.963 1 1 74 1 . . . . . 3.825 2.358 5.292 1 1 75 1 . . . . . 3.56 1.976 5.144 1 1 76 1 . . . . . 3.303 1.939 4.667 1 1 77 1 . . . . . 2.872 1.841 3.903 1 1 78 1 . . . . . 2.621 1.762 3.48 1 1 79 1 . . . . . 3.543 1.974 5.112 1 1 80 1 . . . . . 3.952 1.999 5.905 1 1 81 1 . . . . . 2.651 1.772 3.53 1 1 82 1 . . . . . 2.743 1.802 3.684 1 1 83 1 . . . . . 3.082 1.894 4.27 1 1 84 1 . . . . . 2.637 1.768 3.506 1 1 85 1 . . . . . 3.199 1.919 4.479 1 1 86 1 . . . . . 3.18 1.916 4.444 1 1 87 1 . . . . . 2.691 1.786 3.596 1 1 88 1 . . . . . 2.545 1.735 3.355 1 1 89 2 . . . . . 2.283 1.632 2.934 1 1 89 3 . . . . . 2.283 1.632 2.934 1 1 90 1 . . . . . 2.747 1.803 3.691 1 1 91 1 . . . . . 2.846 1.833 3.859 1 1 92 1 . . . . . 3.003 1.876 4.13 1 1 93 1 . . . . . 2.255 1.619 2.891 1 1 94 1 . . . . . 2.785 1.816 3.754 1 1 95 1 . . . . . 3.396 1.954 4.838 1 1 96 1 . . . . . 3.553 1.975 5.131 1 1 97 2 . . . . . 3.851 2.53 5.172 1 1 97 3 . . . . . 3.851 2.53 5.172 1 1 97 4 . . . . . 3.851 2.53 5.172 1 1 98 1 . . . . . 2.814 2.085 3.543 1 1 99 1 . . . . . 2.659 1.775 3.543 1 1 100 1 . . . . . 2.002 1.501 2.503 1 1 101 1 . . . . . 3.813 1.996 5.63 1 1 102 1 . . . . . 1.91 1.454 2.366 1 1 103 1 . . . . . 2.833 2.21 3.456 1 1 104 1 . . . . . 2.883 2.049 3.717 1 1 105 1 . . . . . 2.681 1.782 3.58 1 1 106 1 . . . . . 3.645 1.984 5.306 1 1 107 1 . . . . . 2.076 1.537 2.615 1 1 108 1 . . . . . 5.068 4.0 6.136 1 1 109 1 . . . . . 2.681 1.783 3.579 1 1 110 1 . . . . . 2.033 1.516 2.55 1 1 111 1 . . . . . 2.047 1.876 2.571 1 1 112 1 . . . . . 2.03 1.515 2.545 1 1 113 1 . . . . . 2.948 1.861 4.035 1 1 114 1 . . . . . 3.993 1.999 5.987 1 1 115 1 . . . . . 2.94 1.859 3.27 1 1 116 1 . . . . . 3.343 1.966 4.74 1 1 117 1 . . . . . 2.701 1.789 3.613 1 1 118 1 . . . . . 3.743 1.992 4.742 1 1 119 2 . . . . . 2.569 1.744 3.394 1 1 119 3 . . . . . 2.569 1.744 3.394 1 1 120 1 . . . . . 2.7 1.971 3.612 1 1 121 2 . . . . . 2.798 1.819 3.777 1 1 121 3 . . . . . 2.798 1.819 3.777 1 1 122 1 . . . . . 4.304 2.181 4.467 1 1 123 1 . . . . . 2.622 1.763 3.481 1 1 124 1 . . . . . 2.472 1.708 3.236 1 1 125 1 . . . . . 3.281 1.936 4.626 1 1 126 1 . . . . . 3.21 2.0 4.498 1 1 127 1 . . . . . 2.706 1.791 3.621 1 1 128 2 . . . . . 3.616 1.981 5.251 1 1 128 3 . . . . . 3.616 1.981 5.251 1 1 129 1 . . . . . 2.608 1.758 3.458 1 1 130 1 . . . . . 2.898 1.988 3.808 1 1 131 1 . . . . . 2.605 1.756 3.454 1 1 132 2 . . . . . 3.061 2.304 3.818 1 1 132 3 . . . . . 3.061 2.304 3.818 1 1 133 1 . . . . . . 1.877 2.558 1 1 134 1 . . . . . 2.88 1.844 3.916 1 1 135 1 . . . . . 3.51 1.97 5.05 1 1 136 1 . . . . . 2.623 1.763 3.483 1 1 137 1 . . . . . 3.429 1.959 4.899 1 1 138 1 . . . . . 2.473 1.709 3.237 1 1 139 1 . . . . . 2.504 1.72 3.288 1 1 140 1 . . . . . 2.476 1.71 3.242 1 1 141 1 . . . . . 2.809 1.823 3.795 1 1 142 1 . . . . . 2.769 1.811 3.727 1 1 143 1 . . . . . 2.681 1.782 3.58 1 1 144 1 . . . . . 3.061 1.89 4.232 1 1 145 1 . . . . . 2.671 1.779 3.563 1 1 146 1 . . . . . 2.872 2.227 3.517 1 1 147 1 . . . . . 2.69 1.786 3.594 1 1 148 1 . . . . . 3.234 1.927 4.541 1 1 149 1 . . . . . 3.459 1.964 4.954 1 1 150 1 . . . . . 3.432 1.959 4.905 1 1 151 1 . . . . . 2.38 1.672 3.088 1 1 152 1 . . . . . 2.901 1.849 3.953 1 1 153 1 . . . . . 2.083 1.541 2.625 1 1 154 1 . . . . . 3.094 1.897 4.291 1 1 155 1 . . . . . 2.938 1.859 4.017 1 1 156 1 . . . . . 2.217 1.758 2.676 1 1 157 1 . . . . . 2.878 2.338 3.418 1 1 158 1 . . . . . 3.424 1.958 4.89 1 1 159 1 . . . . . 3.022 1.881 4.163 1 1 160 1 . . . . . 2.86 2.221 3.499 1 1 161 1 . . . . . 2.803 1.821 3.785 1 1 162 1 . . . . . 3.327 2.256 4.398 1 1 163 1 . . . . . 2.51 1.723 3.297 1 1 164 1 . . . . . 2.055 1.527 2.583 1 1 165 1 . . . . . 2.52 1.726 3.314 1 1 166 1 . . . . . 1.861 1.428 2.294 1 1 167 1 . . . . . 3.111 1.901 4.321 1 1 168 1 . . . . . 3.028 1.882 4.174 1 1 169 1 . . . . . 2.922 1.855 3.989 1 1 170 1 . . . . . 2.921 1.854 3.988 1 1 171 1 . . . . . 2.504 1.72 3.288 1 1 172 1 . . . . . 2.557 1.74 3.374 1 1 173 1 . . . . . 2.789 1.816 3.762 1 1 174 1 . . . . . 3.018 2.287 3.749 1 1 175 1 . . . . . 3.088 2.251 3.925 1 1 176 1 . . . . . 2.492 1.716 3.268 1 1 177 1 . . . . . 2.547 1.736 3.358 1 1 178 1 . . . . . 3.613 1.981 5.245 1 1 179 1 . . . . . 2.699 1.789 3.609 1 1 180 1 . . . . . 2.542 1.734 3.35 1 1 181 1 . . . . . 2.309 1.642 2.976 1 1 182 1 . . . . . 3.154 1.911 4.397 1 1 183 1 . . . . . 2.666 1.778 3.554 1 1 184 1 . . . . . 2.655 1.774 3.536 1 1 185 1 . . . . . 3.395 1.954 4.836 1 1 186 1 . . . . . 3.428 1.959 4.897 1 1 187 1 . . . . . 2.621 1.762 3.48 1 1 188 1 . . . . . 3.928 2.0 5.856 1 1 189 1 . . . . . 2.915 1.853 3.977 1 1 190 1 . . . . . 2.468 1.707 3.229 1 1 191 1 . . . . . 2.969 1.867 4.071 1 1 192 1 . . . . . 3.039 1.885 4.193 1 1 193 1 . . . . . 2.308 1.642 2.974 1 1 194 1 . . . . . 3.205 1.921 4.489 1 1 195 1 . . . . . 2.579 1.748 3.41 1 1 196 1 . . . . . 2.024 1.512 2.536 1 1 197 1 . . . . . 2.538 1.733 3.343 1 1 198 1 . . . . . 1.869 1.432 2.306 1 1 199 1 . . . . . 3.251 1.93 4.572 1 1 200 1 . . . . . 3.06 1.89 4.23 1 1 201 1 . . . . . 2.363 1.665 3.061 1 1 202 1 . . . . . 2.704 1.79 3.618 1 1 203 1 . . . . . 3.252 1.93 4.574 1 1 204 1 . . . . . 2.715 1.793 3.637 1 1 205 1 . . . . . 2.883 1.844 3.922 1 1 206 1 . . . . . 2.889 1.846 3.932 1 1 207 1 . . . . . 3.241 1.928 4.554 1 1 208 1 . . . . . 2.839 1.832 3.846 1 1 209 2 . . . . . 3.285 1.936 4.634 1 1 209 3 . . . . . 3.285 1.936 4.634 1 1 210 1 . . . . . 2.726 1.797 3.655 1 1 211 1 . . . . . 2.645 1.771 3.519 1 1 212 1 . . . . . 2.721 1.796 3.646 1 1 213 1 . . . . . 3.453 1.962 4.944 1 1 214 1 . . . . . 2.725 1.797 3.653 1 1 215 1 . . . . . 2.838 1.831 3.845 1 1 216 1 . . . . . 2.61 1.758 3.462 1 1 217 1 . . . . . 2.104 1.55 2.658 1 1 218 1 . . . . . 3.378 1.952 4.804 1 1 219 1 . . . . . 2.532 1.731 3.333 1 1 220 1 . . . . . 2.702 1.789 3.615 1 1 221 1 . . . . . 2.202 1.596 2.808 1 1 222 1 . . . . . 3.86 1.997 5.723 1 1 223 1 . . . . . 3.574 1.978 5.17 1 1 224 1 . . . . . 3.451 1.962 4.94 1 1 225 1 . . . . . 3.676 1.987 5.365 1 1 226 1 . . . . . 3.343 1.946 4.74 1 1 227 1 . . . . . 2.586 1.75 3.422 1 1 228 1 . . . . . 2.044 1.522 2.566 1 1 229 1 . . . . . 2.679 1.782 3.576 1 1 230 1 . . . . . 2.05 1.525 2.575 1 1 231 1 . . . . . 3.078 1.894 4.262 1 1 232 1 . . . . . 2.906 1.85 3.962 1 1 233 1 . . . . . 2.414 1.685 3.143 1 1 234 1 . . . . . 2.607 1.758 3.456 1 1 235 1 . . . . . 2.494 1.717 3.271 1 1 236 1 . . . . . 2.787 1.816 3.758 1 1 237 1 . . . . . 3.355 2.601 4.109 1 1 238 2 . . . . . 2.778 1.813 3.743 1 1 238 3 . . . . . 2.778 1.813 3.743 1 1 239 1 . . . . . 2.986 1.871 4.101 1 1 240 2 . . . . . 2.312 1.644 2.98 1 1 240 3 . . . . . 2.312 1.644 2.98 1 1 241 1 . . . . . 2.744 1.803 3.685 1 1 242 1 . . . . . 2.667 1.778 3.556 1 1 243 1 . . . . . 2.74 1.801 3.679 1 1 244 1 . . . . . 2.605 1.757 3.453 1 1 245 1 . . . . . 3.541 1.974 5.108 1 1 246 1 . . . . . 3.369 1.95 4.788 1 1 247 1 . . . . . 2.738 1.801 3.675 1 1 248 1 . . . . . 2.729 1.798 3.66 1 1 249 1 . . . . . 2.999 1.874 4.124 1 1 250 1 . . . . . 2.616 1.76 3.472 1 1 251 1 . . . . . 2.951 1.862 4.04 1 1 252 1 . . . . . 3.033 1.883 4.183 1 1 253 1 . . . . . 3.616 1.982 5.25 1 1 254 1 . . . . . 3.255 1.931 4.579 1 1 255 1 . . . . . 3.249 1.93 4.568 1 1 256 1 . . . . . 3.136 1.907 4.365 1 1 257 1 . . . . . 2.944 1.861 4.027 1 1 258 1 . . . . . 3.977 2.0 5.954 1 1 259 1 . . . . . 2.679 1.782 3.576 1 1 260 1 . . . . . 2.478 1.71 3.246 1 1 261 1 . . . . . 2.694 1.787 3.601 1 1 262 1 . . . . . 2.671 1.779 3.563 1 1 263 1 . . . . . 3.428 1.959 4.897 1 1 264 1 . . . . . 2.827 1.828 3.826 1 1 265 1 . . . . . 3.798 1.995 5.601 1 1 266 1 . . . . . 2.818 1.826 3.81 1 1 267 1 . . . . . 2.773 1.812 3.734 1 1 268 1 . . . . . 3.456 1.963 4.949 1 1 269 1 . . . . . 2.844 1.833 3.855 1 1 270 1 . . . . . 4.485 1.971 6.999 1 1 271 1 . . . . . 2.532 1.73 3.334 1 1 272 1 . . . . . 3.523 1.971 5.075 1 1 273 1 . . . . . 2.606 1.757 3.455 1 1 274 1 . . . . . 3.248 1.929 4.567 1 1 275 1 . . . . . 3.769 1.993 5.545 1 1 276 1 . . . . . 2.825 1.827 3.823 1 1 277 1 . . . . . 2.821 1.827 3.815 1 1 278 1 . . . . . 3.348 1.947 4.559 1 1 279 1 . . . . . 2.777 1.813 3.741 1 1 280 1 . . . . . 2.906 1.85 3.962 1 1 281 1 . . . . . . 2.406 2.662 1 1 282 1 . . . . . 3.253 1.93 4.576 1 1 283 1 . . . . . 2.004 1.502 2.506 1 1 284 1 . . . . . 2.708 1.791 2.977 1 1 285 1 . . . . . 1.826 1.409 2.243 1 1 286 1 . . . . . 3.712 1.999 5.434 1 1 287 1 . . . . . 2.51 1.722 3.298 1 1 288 1 . . . . . 1.952 1.476 2.428 1 1 289 1 . . . . . 2.648 1.772 3.524 1 1 290 1 . . . . . 1.99 1.495 2.485 1 1 291 1 . . . . . 3.214 1.923 4.505 1 1 292 1 . . . . . 2.579 1.747 3.411 1 1 293 1 . . . . . 2.669 1.778 3.56 1 1 294 1 . . . . . 2.54 1.734 3.346 1 1 295 1 . . . . . 2.568 1.744 3.392 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 3 PRO C 1 1 4 THR N 1 1 4 THR CA 1 1 4 THR C -100.0 -43.62 A 2 . C A 3 . N A 3 . CA A 3 . C 1 1 2 . 1 1 4 THR N 1 1 4 THR CA 1 1 4 THR C 1 1 5 LYS N 110.0 179.08 A 3 . N A 3 . CA A 3 . C A 4 . N 1 1 3 . 1 1 5 LYS C 1 1 6 PRO N 1 1 6 PRO CA 1 1 6 PRO C -89.99999 -38.42 A 4 . C A 5 . N A 5 . CA A 5 . C 1 1 4 . 1 1 6 PRO N 1 1 6 PRO CA 1 1 6 PRO C 1 1 7 THR N 120.0 170.84 A 5 . N A 5 . CA A 5 . C A 6 . N 1 1 5 . 1 1 7 THR C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -140.0 -17.62 A 6 . C A 7 . N A 7 . CA A 7 . C 1 1 6 . 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C 1 1 9 PRO N 89.99999 211.36 A 7 . N A 7 . CA A 7 . C A 8 . N 1 1 7 . 1 1 9 PRO C 1 1 10 GLY N 1 1 10 GLY CA 1 1 10 GLY C -100.0 -27.88 A 8 . C A 9 . N A 9 . CA A 9 . C 1 1 8 . 1 1 10 GLY N 1 1 10 GLY CA 1 1 10 GLY C 1 1 11 ASP N -70.0 35.62 A 9 . N A 9 . CA A 9 . C A 10 . N 1 1 9 . 1 1 10 GLY C 1 1 11 ASP N 1 1 11 ASP CA 1 1 11 ASP C -100.0 -29.94 A 9 . C A 10 . N A 10 . CA A 10 . C 1 1 10 . 1 1 12 ASN N 1 1 12 ASN CA 1 1 12 ASN C 1 1 13 ALA N -66.5 7.5 A 11 . N A 11 . CA A 11 . C A 12 . N 1 1 11 . 1 1 12 ASN C 1 1 13 ALA N 1 1 13 ALA CA 1 1 13 ALA C -122.45999 -48.46 A 11 . C A 12 . N A 12 . CA A 12 . C 1 1 12 . 1 1 13 ALA N 1 1 13 ALA CA 1 1 13 ALA C 1 1 14 THR N -50.0 24.12 A 12 . N A 12 . CA A 12 . C A 13 . N 1 1 13 . 1 1 15 PRO C 1 1 16 GLU N 1 1 16 GLU CA 1 1 16 GLU C -100.0 -32.24 A 14 . C A 15 . N A 15 . CA A 15 . C 1 1 14 . 1 1 16 GLU N 1 1 16 GLU CA 1 1 16 GLU C 1 1 17 LYS N -60.0 10.5 A 15 . N A 15 . CA A 15 . C A 16 . N 1 1 15 . 1 1 16 GLU C 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS C -89.99999 -44.14 A 15 . C A 16 . N A 16 . CA A 16 . C 1 1 16 . 1 1 17 LYS N 1 1 17 LYS CA 1 1 17 LYS C 1 1 18 LEU N -70.0 12.64 A 16 . N A 16 . CA A 16 . C A 17 . N 1 1 17 . 1 1 17 LYS C 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C -89.99999 -39.52 A 16 . C A 17 . N A 17 . CA A 17 . C 1 1 18 . 1 1 18 LEU N 1 1 18 LEU CA 1 1 18 LEU C 1 1 19 ALA N -70.0 -6.48 A 17 . N A 17 . CA A 17 . C A 18 . N 1 1 19 . 1 1 18 LEU C 1 1 19 ALA N 1 1 19 ALA CA 1 1 19 ALA C -89.99999 -43.06 A 17 . C A 18 . N A 18 . CA A 18 . C 1 1 20 . 1 1 19 ALA N 1 1 19 ALA CA 1 1 19 ALA C 1 1 20 LYS N -70.0 0.98 A 18 . N A 18 . CA A 18 . C A 19 . N 1 1 21 . 1 1 19 ALA C 1 1 20 LYS N 1 1 20 LYS CA 1 1 20 LYS C -89.99999 -39.3 A 18 . C A 19 . N A 19 . CA A 19 . C 1 1 22 . 1 1 22 GLN N 1 1 22 GLN CA 1 1 22 GLN C 1 1 23 ALA N -70.0 7.14 A 21 . N A 21 . CA A 21 . C A 22 . N 1 1 23 . 1 1 22 GLN C 1 1 23 ALA N 1 1 23 ALA CA 1 1 23 ALA C -89.99999 -45.58 A 21 . C A 22 . N A 22 . CA A 22 . C 1 1 24 . 1 1 23 ALA N 1 1 23 ALA CA 1 1 23 ALA C 1 1 24 ASP N -70.0 -6.44 A 22 . N A 22 . CA A 22 . C A 23 . N 1 1 25 . 1 1 23 ALA C 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C -89.99999 -38.1 A 22 . C A 23 . N A 23 . CA A 23 . C 1 1 26 . 1 1 24 ASP N 1 1 24 ASP CA 1 1 24 ASP C 1 1 25 LEU N -73.67 -3.6700003 A 23 . N A 23 . CA A 23 . C A 24 . N 1 1 27 . 1 1 24 ASP C 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C -89.99999 -36.98 A 23 . C A 24 . N A 24 . CA A 24 . C 1 1 28 . 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C 1 1 26 ALA N -70.0 -16.179998 A 24 . N A 24 . CA A 24 . C A 25 . N 1 1 29 . 1 1 25 LEU C 1 1 26 ALA N 1 1 26 ALA CA 1 1 26 ALA C -89.99999 -32.28 A 24 . C A 25 . N A 25 . CA A 25 . C 1 1 30 . 1 1 26 ALA N 1 1 26 ALA CA 1 1 26 ALA C 1 1 27 LYS N -70.0 -18.68 A 25 . N A 25 . CA A 25 . C A 26 . N 1 1 31 . 1 1 26 ALA C 1 1 27 LYS N 1 1 27 LYS CA 1 1 27 LYS C -89.99999 -36.3 A 25 . C A 26 . N A 26 . CA A 26 . C 1 1 32 . 1 1 29 GLN N 1 1 29 GLN CA 1 1 29 GLN C 1 1 30 LYS N -70.0 -10.04 A 28 . N A 28 . CA A 28 . C A 29 . N 1 1 33 . 1 1 29 GLN C 1 1 30 LYS N 1 1 30 LYS CA 1 1 30 LYS C -80.0 -49.08 A 28 . C A 29 . N A 29 . CA A 29 . C 1 1 34 . 1 1 30 LYS N 1 1 30 LYS CA 1 1 30 LYS C 1 1 31 ASP N -70.0 -19.86 A 29 . N A 29 . CA A 29 . C A 30 . N 1 1 35 . 1 1 30 LYS C 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP C -89.99999 -39.78 A 29 . C A 30 . N A 30 . CA A 30 . C 1 1 36 . 1 1 31 ASP N 1 1 31 ASP CA 1 1 31 ASP C 1 1 32 LEU N -74.16999 -14.17 A 30 . N A 30 . CA A 30 . C A 31 . N 1 1 37 . 1 1 31 ASP C 1 1 32 LEU N 1 1 32 LEU CA 1 1 32 LEU C -89.99999 -39.6 A 30 . C A 31 . N A 31 . CA A 31 . C 1 1 38 . 1 1 32 LEU N 1 1 32 LEU CA 1 1 32 LEU C 1 1 33 ALA N -70.0 -17.62 A 31 . N A 31 . CA A 31 . C A 32 . N 1 1 39 . 1 1 32 LEU C 1 1 33 ALA N 1 1 33 ALA CA 1 1 33 ALA C -89.99999 -39.3 A 31 . C A 32 . N A 32 . CA A 32 . C 1 1 40 . 1 1 33 ALA N 1 1 33 ALA CA 1 1 33 ALA C 1 1 34 ASP N -70.0 -15.699999 A 32 . N A 32 . CA A 32 . C A 33 . N 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 ACE C C 13.214 -5.374 4.182 1.00 . A A . 0 ACE C 1 1 1 2 1 1 1 ACE CH3 C 14.099 -4.242 3.741 1.00 . A A . 0 ACE CH3 1 1 1 3 1 1 1 ACE H1 H 13.536 -3.601 3.073 1.00 . A A . 0 ACE H1 1 1 1 4 1 1 1 ACE H2 H 14.952 -4.639 3.226 1.00 . A A . 0 ACE H2 1 1 1 5 1 1 1 ACE H3 H 14.429 -3.697 4.619 1.00 . A A . 0 ACE H3 1 1 1 6 1 1 1 ACE O O 12.797 -5.438 5.342 1.00 . A A . 0 ACE O 1 1 1 7 1 1 2 PRO C C 10.763 -5.424 2.405 1.00 . A A . 1 PRO C 1 1 1 8 1 1 2 PRO CA C 12.127 -6.018 2.065 1.00 . A A . 1 PRO CA 1 1 1 9 1 1 2 PRO CB C 11.960 -7.395 1.408 1.00 . A A . 1 PRO CB 1 1 1 10 1 1 2 PRO CD C 13.328 -7.717 3.339 1.00 . A A . 1 PRO CD 1 1 1 11 1 1 2 PRO CG C 13.070 -8.225 1.949 1.00 . A A . 1 PRO CG 1 1 1 12 1 1 2 PRO HA H 12.655 -5.356 1.394 1.00 . A A . 1 PRO HA 1 1 1 13 1 1 2 PRO HB2 H 10.997 -7.815 1.676 1.00 . A A . 1 PRO HB2 1 1 1 14 1 1 2 PRO HB3 H 12.048 -7.313 0.337 1.00 . A A . 1 PRO HB3 1 1 1 15 1 1 2 PRO HD2 H 12.729 -8.257 4.059 1.00 . A A . 1 PRO HD2 1 1 1 16 1 1 2 PRO HD3 H 14.378 -7.796 3.583 1.00 . A A . 1 PRO HD3 1 1 1 17 1 1 2 PRO HG2 H 12.770 -9.266 1.973 1.00 . A A . 1 PRO HG2 1 1 1 18 1 1 2 PRO HG3 H 13.954 -8.101 1.341 1.00 . A A . 1 PRO HG3 1 1 1 19 1 1 2 PRO N N 12.913 -6.306 3.270 1.00 . A A . 1 PRO N 1 1 1 20 1 1 2 PRO O O 10.005 -6.014 3.178 1.00 . A A . 1 PRO O 1 1 1 21 1 1 3 PRO C C 7.989 -4.523 1.687 1.00 . A A . 2 PRO C 1 1 1 22 1 1 3 PRO CA C 9.141 -3.597 2.068 1.00 . A A . 2 PRO CA 1 1 1 23 1 1 3 PRO CB C 9.179 -2.387 1.127 1.00 . A A . 2 PRO CB 1 1 1 24 1 1 3 PRO CD C 11.330 -3.424 1.003 1.00 . A A . 2 PRO CD 1 1 1 25 1 1 3 PRO CG C 10.618 -2.102 0.900 1.00 . A A . 2 PRO CG 1 1 1 26 1 1 3 PRO HA H 9.021 -3.266 3.089 1.00 . A A . 2 PRO HA 1 1 1 27 1 1 3 PRO HB2 H 8.686 -2.634 0.196 1.00 . A A . 2 PRO HB2 1 1 1 28 1 1 3 PRO HB3 H 8.701 -1.537 1.588 1.00 . A A . 2 PRO HB3 1 1 1 29 1 1 3 PRO HD2 H 11.437 -3.870 0.026 1.00 . A A . 2 PRO HD2 1 1 1 30 1 1 3 PRO HD3 H 12.298 -3.293 1.467 1.00 . A A . 2 PRO HD3 1 1 1 31 1 1 3 PRO HG2 H 10.752 -1.676 -0.085 1.00 . A A . 2 PRO HG2 1 1 1 32 1 1 3 PRO HG3 H 10.982 -1.425 1.656 1.00 . A A . 2 PRO HG3 1 1 1 33 1 1 3 PRO N N 10.444 -4.237 1.859 1.00 . A A . 2 PRO N 1 1 1 34 1 1 3 PRO O O 7.809 -4.849 0.515 1.00 . A A . 2 PRO O 1 1 1 35 1 1 4 THR C C 4.838 -5.089 2.186 1.00 . A A . 3 THR C 1 1 1 36 1 1 4 THR CA C 6.121 -5.870 2.429 1.00 . A A . 3 THR CA 1 1 1 37 1 1 4 THR CB C 5.921 -6.843 3.606 1.00 . A A . 3 THR CB 1 1 1 38 1 1 4 THR CG2 C 6.948 -7.965 3.566 1.00 . A A . 3 THR CG2 1 1 1 39 1 1 4 THR H H 7.423 -4.683 3.596 1.00 . A A . 3 THR H 1 1 1 40 1 1 4 THR HA H 6.350 -6.449 1.547 1.00 . A A . 3 THR HA 1 1 1 41 1 1 4 THR HB H 4.934 -7.276 3.529 1.00 . A A . 3 THR HB 1 1 1 42 1 1 4 THR HG1 H 5.631 -5.256 4.749 1.00 . A A . 3 THR HG1 1 1 1 43 1 1 4 THR HG21 H 6.874 -8.486 2.624 1.00 . A A . 3 THR HG21 1 1 1 44 1 1 4 THR HG22 H 6.757 -8.656 4.375 1.00 . A A . 3 THR HG22 1 1 1 45 1 1 4 THR HG23 H 7.941 -7.555 3.673 1.00 . A A . 3 THR HG23 1 1 1 46 1 1 4 THR N N 7.233 -4.968 2.676 1.00 . A A . 3 THR N 1 1 1 47 1 1 4 THR O O 4.375 -4.352 3.061 1.00 . A A . 3 THR O 1 1 1 48 1 1 4 THR OG1 O 6.023 -6.133 4.848 1.00 . A A . 3 THR OG1 1 1 1 49 1 1 5 LYS C C 1.826 -5.304 1.058 1.00 . A A . 4 LYS C 1 1 1 50 1 1 5 LYS CA C 3.066 -4.517 0.640 1.00 . A A . 4 LYS CA 1 1 1 51 1 1 5 LYS CB C 3.016 -4.239 -0.871 1.00 . A A . 4 LYS CB 1 1 1 52 1 1 5 LYS CD C 2.534 -5.111 -3.176 1.00 . A A . 4 LYS CD 1 1 1 53 1 1 5 LYS CE C 2.085 -6.314 -3.989 1.00 . A A . 4 LYS CE 1 1 1 54 1 1 5 LYS CG C 2.732 -5.469 -1.712 1.00 . A A . 4 LYS CG 1 1 1 55 1 1 5 LYS H H 4.676 -5.863 0.350 1.00 . A A . 4 LYS H 1 1 1 56 1 1 5 LYS HA H 3.079 -3.579 1.171 1.00 . A A . 4 LYS HA 1 1 1 57 1 1 5 LYS HB2 H 2.241 -3.512 -1.068 1.00 . A A . 4 LYS HB2 1 1 1 58 1 1 5 LYS HB3 H 3.967 -3.832 -1.183 1.00 . A A . 4 LYS HB3 1 1 1 59 1 1 5 LYS HD2 H 1.783 -4.339 -3.250 1.00 . A A . 4 LYS HD2 1 1 1 60 1 1 5 LYS HD3 H 3.469 -4.747 -3.577 1.00 . A A . 4 LYS HD3 1 1 1 61 1 1 5 LYS HE2 H 1.154 -6.680 -3.582 1.00 . A A . 4 LYS HE2 1 1 1 62 1 1 5 LYS HE3 H 1.930 -6.002 -5.011 1.00 . A A . 4 LYS HE3 1 1 1 63 1 1 5 LYS HG2 H 3.566 -6.147 -1.628 1.00 . A A . 4 LYS HG2 1 1 1 64 1 1 5 LYS HG3 H 1.837 -5.945 -1.340 1.00 . A A . 4 LYS HG3 1 1 1 65 1 1 5 LYS HZ1 H 3.967 -7.109 -4.421 1.00 . A A . 4 LYS HZ1 1 1 1 66 1 1 5 LYS HZ2 H 2.715 -8.243 -4.475 1.00 . A A . 4 LYS HZ2 1 1 1 67 1 1 5 LYS HZ3 H 3.289 -7.693 -2.985 1.00 . A A . 4 LYS HZ3 1 1 1 68 1 1 5 LYS N N 4.274 -5.242 0.998 1.00 . A A . 4 LYS N 1 1 1 69 1 1 5 LYS NZ N 3.084 -7.415 -3.966 1.00 . A A . 4 LYS NZ 1 1 1 70 1 1 5 LYS O O 1.863 -6.534 1.152 1.00 . A A . 4 LYS O 1 1 1 71 1 1 6 PRO C C -1.185 -5.821 0.335 1.00 . A A . 5 PRO C 1 1 1 72 1 1 6 PRO CA C -0.576 -5.228 1.605 1.00 . A A . 5 PRO CA 1 1 1 73 1 1 6 PRO CB C -1.427 -4.065 2.120 1.00 . A A . 5 PRO CB 1 1 1 74 1 1 6 PRO CD C 0.657 -3.125 1.430 1.00 . A A . 5 PRO CD 1 1 1 75 1 1 6 PRO CG C -0.812 -2.848 1.525 1.00 . A A . 5 PRO CG 1 1 1 76 1 1 6 PRO HA H -0.502 -5.995 2.363 1.00 . A A . 5 PRO HA 1 1 1 77 1 1 6 PRO HB2 H -2.451 -4.185 1.793 1.00 . A A . 5 PRO HB2 1 1 1 78 1 1 6 PRO HB3 H -1.379 -4.016 3.196 1.00 . A A . 5 PRO HB3 1 1 1 79 1 1 6 PRO HD2 H 1.068 -2.666 0.544 1.00 . A A . 5 PRO HD2 1 1 1 80 1 1 6 PRO HD3 H 1.169 -2.772 2.315 1.00 . A A . 5 PRO HD3 1 1 1 81 1 1 6 PRO HG2 H -1.224 -2.676 0.540 1.00 . A A . 5 PRO HG2 1 1 1 82 1 1 6 PRO HG3 H -0.986 -1.995 2.162 1.00 . A A . 5 PRO HG3 1 1 1 83 1 1 6 PRO N N 0.723 -4.597 1.338 1.00 . A A . 5 PRO N 1 1 1 84 1 1 6 PRO O O -0.738 -5.522 -0.774 1.00 . A A . 5 PRO O 1 1 1 85 1 1 7 THR C C -3.962 -6.397 -1.183 1.00 . A A . 6 THR C 1 1 1 86 1 1 7 THR CA C -2.840 -7.287 -0.652 1.00 . A A . 6 THR CA 1 1 1 87 1 1 7 THR CB C -3.393 -8.690 -0.308 1.00 . A A . 6 THR CB 1 1 1 88 1 1 7 THR CG2 C -4.635 -8.599 0.565 1.00 . A A . 6 THR CG2 1 1 1 89 1 1 7 THR H H -2.505 -6.879 1.400 1.00 . A A . 6 THR H 1 1 1 90 1 1 7 THR HA H -2.097 -7.401 -1.427 1.00 . A A . 6 THR HA 1 1 1 91 1 1 7 THR HB H -2.634 -9.233 0.231 1.00 . A A . 6 THR HB 1 1 1 92 1 1 7 THR HG1 H -2.962 -9.360 -2.119 1.00 . A A . 6 THR HG1 1 1 1 93 1 1 7 THR HG21 H -5.405 -8.057 0.037 1.00 . A A . 6 THR HG21 1 1 1 94 1 1 7 THR HG22 H -4.395 -8.082 1.482 1.00 . A A . 6 THR HG22 1 1 1 95 1 1 7 THR HG23 H -4.987 -9.593 0.793 1.00 . A A . 6 THR HG23 1 1 1 96 1 1 7 THR N N -2.191 -6.668 0.493 1.00 . A A . 6 THR N 1 1 1 97 1 1 7 THR O O -4.470 -5.524 -0.472 1.00 . A A . 6 THR O 1 1 1 98 1 1 7 THR OG1 O -3.714 -9.408 -1.509 1.00 . A A . 6 THR OG1 1 1 1 99 1 1 8 LYS C C -6.719 -6.048 -2.419 1.00 . A A . 7 LYS C 1 1 1 100 1 1 8 LYS CA C -5.368 -5.841 -3.101 1.00 . A A . 7 LYS CA 1 1 1 101 1 1 8 LYS CB C -5.463 -6.236 -4.579 1.00 . A A . 7 LYS CB 1 1 1 102 1 1 8 LYS CD C -3.600 -4.716 -5.394 1.00 . A A . 7 LYS CD 1 1 1 103 1 1 8 LYS CE C -4.531 -3.781 -6.152 1.00 . A A . 7 LYS CE 1 1 1 104 1 1 8 LYS CG C -4.141 -6.142 -5.337 1.00 . A A . 7 LYS CG 1 1 1 105 1 1 8 LYS H H -3.887 -7.344 -2.934 1.00 . A A . 7 LYS H 1 1 1 106 1 1 8 LYS HA H -5.100 -4.802 -3.031 1.00 . A A . 7 LYS HA 1 1 1 107 1 1 8 LYS HB2 H -5.814 -7.255 -4.642 1.00 . A A . 7 LYS HB2 1 1 1 108 1 1 8 LYS HB3 H -6.179 -5.590 -5.065 1.00 . A A . 7 LYS HB3 1 1 1 109 1 1 8 LYS HD2 H -3.477 -4.346 -4.389 1.00 . A A . 7 LYS HD2 1 1 1 110 1 1 8 LYS HD3 H -2.640 -4.731 -5.893 1.00 . A A . 7 LYS HD3 1 1 1 111 1 1 8 LYS HE2 H -5.513 -3.835 -5.709 1.00 . A A . 7 LYS HE2 1 1 1 112 1 1 8 LYS HE3 H -4.154 -2.773 -6.063 1.00 . A A . 7 LYS HE3 1 1 1 113 1 1 8 LYS HG2 H -3.413 -6.766 -4.842 1.00 . A A . 7 LYS HG2 1 1 1 114 1 1 8 LYS HG3 H -4.292 -6.500 -6.346 1.00 . A A . 7 LYS HG3 1 1 1 115 1 1 8 LYS HZ1 H -4.939 -5.122 -7.698 1.00 . A A . 7 LYS HZ1 1 1 1 116 1 1 8 LYS HZ2 H -3.705 -4.022 -8.052 1.00 . A A . 7 LYS HZ2 1 1 1 117 1 1 8 LYS HZ3 H -5.318 -3.515 -8.066 1.00 . A A . 7 LYS HZ3 1 1 1 118 1 1 8 LYS N N -4.328 -6.622 -2.439 1.00 . A A . 7 LYS N 1 1 1 119 1 1 8 LYS NZ N -4.629 -4.136 -7.591 1.00 . A A . 7 LYS NZ 1 1 1 120 1 1 8 LYS O O -7.200 -7.179 -2.316 1.00 . A A . 7 LYS O 1 1 1 121 1 1 9 PRO C C -9.727 -5.638 -2.136 1.00 . A A . 8 PRO C 1 1 1 122 1 1 9 PRO CA C -8.642 -5.012 -1.265 1.00 . A A . 8 PRO CA 1 1 1 123 1 1 9 PRO CB C -8.966 -3.540 -0.994 1.00 . A A . 8 PRO CB 1 1 1 124 1 1 9 PRO CD C -6.787 -3.589 -1.960 1.00 . A A . 8 PRO CD 1 1 1 125 1 1 9 PRO CG C -7.653 -2.844 -0.981 1.00 . A A . 8 PRO CG 1 1 1 126 1 1 9 PRO HA H -8.587 -5.549 -0.330 1.00 . A A . 8 PRO HA 1 1 1 127 1 1 9 PRO HB2 H -9.600 -3.152 -1.785 1.00 . A A . 8 PRO HB2 1 1 1 128 1 1 9 PRO HB3 H -9.456 -3.438 -0.037 1.00 . A A . 8 PRO HB3 1 1 1 129 1 1 9 PRO HD2 H -6.878 -3.162 -2.949 1.00 . A A . 8 PRO HD2 1 1 1 130 1 1 9 PRO HD3 H -5.756 -3.578 -1.634 1.00 . A A . 8 PRO HD3 1 1 1 131 1 1 9 PRO HG2 H -7.781 -1.816 -1.292 1.00 . A A . 8 PRO HG2 1 1 1 132 1 1 9 PRO HG3 H -7.215 -2.887 0.007 1.00 . A A . 8 PRO HG3 1 1 1 133 1 1 9 PRO N N -7.334 -4.960 -1.929 1.00 . A A . 8 PRO N 1 1 1 134 1 1 9 PRO O O -9.907 -5.260 -3.297 1.00 . A A . 8 PRO O 1 1 1 135 1 1 10 GLY C C -12.875 -6.671 -1.837 1.00 . A A . 9 GLY C 1 1 1 136 1 1 10 GLY CA C -11.538 -7.222 -2.278 1.00 . A A . 9 GLY CA 1 1 1 137 1 1 10 GLY H H -10.224 -6.884 -0.656 1.00 . A A . 9 GLY H 1 1 1 138 1 1 10 GLY HA2 H -11.414 -7.048 -3.336 1.00 . A A . 9 GLY HA2 1 1 1 139 1 1 10 GLY HA3 H -11.519 -8.285 -2.092 1.00 . A A . 9 GLY HA3 1 1 1 140 1 1 10 GLY N N -10.442 -6.599 -1.570 1.00 . A A . 9 GLY N 1 1 1 141 1 1 10 GLY O O -13.516 -5.917 -2.566 1.00 . A A . 9 GLY O 1 1 1 142 1 1 11 ASP C C -14.300 -5.256 0.714 1.00 . A A . 10 ASP C 1 1 1 143 1 1 11 ASP CA C -14.537 -6.542 -0.065 1.00 . A A . 10 ASP CA 1 1 1 144 1 1 11 ASP CB C -15.160 -7.602 0.852 1.00 . A A . 10 ASP CB 1 1 1 145 1 1 11 ASP CG C -14.449 -7.721 2.185 1.00 . A A . 10 ASP CG 1 1 1 146 1 1 11 ASP H H -12.723 -7.634 -0.095 1.00 . A A . 10 ASP H 1 1 1 147 1 1 11 ASP HA H -15.212 -6.338 -0.882 1.00 . A A . 10 ASP HA 1 1 1 148 1 1 11 ASP HB2 H -16.190 -7.341 1.039 1.00 . A A . 10 ASP HB2 1 1 1 149 1 1 11 ASP HB3 H -15.122 -8.561 0.357 1.00 . A A . 10 ASP HB3 1 1 1 150 1 1 11 ASP N N -13.280 -7.023 -0.626 1.00 . A A . 10 ASP N 1 1 1 151 1 1 11 ASP O O -15.212 -4.460 0.930 1.00 . A A . 10 ASP O 1 1 1 152 1 1 11 ASP OD1 O -15.090 -7.476 3.229 1.00 . A A . 10 ASP OD1 1 1 1 153 1 1 11 ASP OD2 O -13.244 -8.053 2.200 1.00 . A A . 10 ASP OD2 1 1 1 154 1 1 12 ASN C C -12.276 -2.739 0.900 1.00 . A A . 11 ASN C 1 1 1 155 1 1 12 ASN CA C -12.645 -3.868 1.855 1.00 . A A . 11 ASN CA 1 1 1 156 1 1 12 ASN CB C -11.468 -4.182 2.789 1.00 . A A . 11 ASN CB 1 1 1 157 1 1 12 ASN CG C -10.271 -4.801 2.079 1.00 . A A . 11 ASN CG 1 1 1 158 1 1 12 ASN H H -12.379 -5.744 0.922 1.00 . A A . 11 ASN H 1 1 1 159 1 1 12 ASN HA H -13.486 -3.551 2.450 1.00 . A A . 11 ASN HA 1 1 1 160 1 1 12 ASN HB2 H -11.144 -3.266 3.259 1.00 . A A . 11 ASN HB2 1 1 1 161 1 1 12 ASN HB3 H -11.802 -4.870 3.553 1.00 . A A . 11 ASN HB3 1 1 1 162 1 1 12 ASN HD21 H -9.025 -3.897 3.332 1.00 . A A . 11 ASN HD21 1 1 1 163 1 1 12 ASN HD22 H -8.285 -4.873 2.118 1.00 . A A . 11 ASN HD22 1 1 1 164 1 1 12 ASN N N -13.054 -5.058 1.118 1.00 . A A . 11 ASN N 1 1 1 165 1 1 12 ASN ND2 N -9.074 -4.496 2.557 1.00 . A A . 11 ASN ND2 1 1 1 166 1 1 12 ASN O O -11.743 -1.710 1.311 1.00 . A A . 11 ASN O 1 1 1 167 1 1 12 ASN OD1 O -10.420 -5.551 1.112 1.00 . A A . 11 ASN OD1 1 1 1 168 1 1 13 ALA C C -13.255 -0.822 -1.461 1.00 . A A . 12 ALA C 1 1 1 169 1 1 13 ALA CA C -12.254 -1.977 -1.424 1.00 . A A . 12 ALA CA 1 1 1 170 1 1 13 ALA CB C -12.208 -2.679 -2.771 1.00 . A A . 12 ALA CB 1 1 1 171 1 1 13 ALA H H -13.037 -3.766 -0.624 1.00 . A A . 12 ALA H 1 1 1 172 1 1 13 ALA HA H -11.273 -1.582 -1.219 1.00 . A A . 12 ALA HA 1 1 1 173 1 1 13 ALA HB1 H -13.191 -3.055 -3.015 1.00 . A A . 12 ALA HB1 1 1 1 174 1 1 13 ALA HB2 H -11.510 -3.502 -2.725 1.00 . A A . 12 ALA HB2 1 1 1 175 1 1 13 ALA HB3 H -11.893 -1.979 -3.530 1.00 . A A . 12 ALA HB3 1 1 1 176 1 1 13 ALA N N -12.575 -2.942 -0.377 1.00 . A A . 12 ALA N 1 1 1 177 1 1 13 ALA O O -13.442 -0.184 -2.500 1.00 . A A . 12 ALA O 1 1 1 178 1 1 14 THR C C -14.105 1.880 -0.456 1.00 . A A . 13 THR C 1 1 1 179 1 1 14 THR CA C -14.825 0.555 -0.220 1.00 . A A . 13 THR CA 1 1 1 180 1 1 14 THR CB C -15.510 0.559 1.156 1.00 . A A . 13 THR CB 1 1 1 181 1 1 14 THR CG2 C -16.622 -0.475 1.209 1.00 . A A . 13 THR CG2 1 1 1 182 1 1 14 THR H H -13.713 -1.104 0.459 1.00 . A A . 13 THR H 1 1 1 183 1 1 14 THR HA H -15.585 0.431 -0.977 1.00 . A A . 13 THR HA 1 1 1 184 1 1 14 THR HB H -15.941 1.534 1.320 1.00 . A A . 13 THR HB 1 1 1 185 1 1 14 THR HG1 H -14.367 1.104 2.674 1.00 . A A . 13 THR HG1 1 1 1 186 1 1 14 THR HG21 H -17.086 -0.455 2.183 1.00 . A A . 13 THR HG21 1 1 1 187 1 1 14 THR HG22 H -16.208 -1.456 1.027 1.00 . A A . 13 THR HG22 1 1 1 188 1 1 14 THR HG23 H -17.359 -0.249 0.453 1.00 . A A . 13 THR HG23 1 1 1 189 1 1 14 THR N N -13.893 -0.554 -0.330 1.00 . A A . 13 THR N 1 1 1 190 1 1 14 THR O O -13.022 2.093 0.081 1.00 . A A . 13 THR O 1 1 1 191 1 1 14 THR OG1 O -14.550 0.291 2.187 1.00 . A A . 13 THR OG1 1 1 1 192 1 1 15 PRO C C -13.193 4.717 -0.698 1.00 . A A . 14 PRO C 1 1 1 193 1 1 15 PRO CA C -14.082 4.024 -1.731 1.00 . A A . 14 PRO CA 1 1 1 194 1 1 15 PRO CB C -15.292 4.894 -2.058 1.00 . A A . 14 PRO CB 1 1 1 195 1 1 15 PRO CD C -16.071 2.623 -1.809 1.00 . A A . 14 PRO CD 1 1 1 196 1 1 15 PRO CG C -16.348 3.941 -2.501 1.00 . A A . 14 PRO CG 1 1 1 197 1 1 15 PRO HA H -13.509 3.859 -2.632 1.00 . A A . 14 PRO HA 1 1 1 198 1 1 15 PRO HB2 H -15.605 5.435 -1.173 1.00 . A A . 14 PRO HB2 1 1 1 199 1 1 15 PRO HB3 H -15.055 5.582 -2.854 1.00 . A A . 14 PRO HB3 1 1 1 200 1 1 15 PRO HD2 H -16.781 2.459 -1.013 1.00 . A A . 14 PRO HD2 1 1 1 201 1 1 15 PRO HD3 H -16.112 1.809 -2.517 1.00 . A A . 14 PRO HD3 1 1 1 202 1 1 15 PRO HG2 H -17.320 4.321 -2.212 1.00 . A A . 14 PRO HG2 1 1 1 203 1 1 15 PRO HG3 H -16.297 3.813 -3.573 1.00 . A A . 14 PRO HG3 1 1 1 204 1 1 15 PRO N N -14.706 2.774 -1.268 1.00 . A A . 14 PRO N 1 1 1 205 1 1 15 PRO O O -12.032 5.023 -0.982 1.00 . A A . 14 PRO O 1 1 1 206 1 1 16 GLU C C -11.761 4.926 1.996 1.00 . A A . 15 GLU C 1 1 1 207 1 1 16 GLU CA C -13.000 5.685 1.525 1.00 . A A . 15 GLU CA 1 1 1 208 1 1 16 GLU CB C -13.904 5.997 2.720 1.00 . A A . 15 GLU CB 1 1 1 209 1 1 16 GLU CD C -15.878 6.936 1.422 1.00 . A A . 15 GLU CD 1 1 1 210 1 1 16 GLU CG C -14.847 7.174 2.504 1.00 . A A . 15 GLU CG 1 1 1 211 1 1 16 GLU H H -14.624 4.599 0.693 1.00 . A A . 15 GLU H 1 1 1 212 1 1 16 GLU HA H -12.681 6.615 1.084 1.00 . A A . 15 GLU HA 1 1 1 213 1 1 16 GLU HB2 H -14.504 5.127 2.937 1.00 . A A . 15 GLU HB2 1 1 1 214 1 1 16 GLU HB3 H -13.280 6.214 3.574 1.00 . A A . 15 GLU HB3 1 1 1 215 1 1 16 GLU HG2 H -15.366 7.368 3.427 1.00 . A A . 15 GLU HG2 1 1 1 216 1 1 16 GLU HG3 H -14.261 8.042 2.237 1.00 . A A . 15 GLU HG3 1 1 1 217 1 1 16 GLU N N -13.726 4.943 0.496 1.00 . A A . 15 GLU N 1 1 1 218 1 1 16 GLU O O -10.680 5.504 2.137 1.00 . A A . 15 GLU O 1 1 1 219 1 1 16 GLU OE1 O -16.905 6.290 1.700 1.00 . A A . 15 GLU OE1 1 1 1 220 1 1 16 GLU OE2 O -15.657 7.383 0.278 1.00 . A A . 15 GLU OE2 1 1 1 221 1 1 17 LYS C C -9.854 2.475 1.590 1.00 . A A . 16 LYS C 1 1 1 222 1 1 17 LYS CA C -10.822 2.813 2.720 1.00 . A A . 16 LYS CA 1 1 1 223 1 1 17 LYS CB C -11.379 1.540 3.366 1.00 . A A . 16 LYS CB 1 1 1 224 1 1 17 LYS CD C -11.022 -0.356 4.965 1.00 . A A . 16 LYS CD 1 1 1 225 1 1 17 LYS CE C -10.066 -0.977 5.970 1.00 . A A . 16 LYS CE 1 1 1 226 1 1 17 LYS CG C -10.362 0.771 4.190 1.00 . A A . 16 LYS CG 1 1 1 227 1 1 17 LYS H H -12.773 3.212 2.014 1.00 . A A . 16 LYS H 1 1 1 228 1 1 17 LYS HA H -10.298 3.389 3.467 1.00 . A A . 16 LYS HA 1 1 1 229 1 1 17 LYS HB2 H -12.199 1.812 4.016 1.00 . A A . 16 LYS HB2 1 1 1 230 1 1 17 LYS HB3 H -11.749 0.887 2.586 1.00 . A A . 16 LYS HB3 1 1 1 231 1 1 17 LYS HD2 H -11.877 0.038 5.494 1.00 . A A . 16 LYS HD2 1 1 1 232 1 1 17 LYS HD3 H -11.346 -1.118 4.271 1.00 . A A . 16 LYS HD3 1 1 1 233 1 1 17 LYS HE2 H -9.253 -1.443 5.435 1.00 . A A . 16 LYS HE2 1 1 1 234 1 1 17 LYS HE3 H -9.677 -0.196 6.606 1.00 . A A . 16 LYS HE3 1 1 1 235 1 1 17 LYS HG2 H -9.618 0.354 3.528 1.00 . A A . 16 LYS HG2 1 1 1 236 1 1 17 LYS HG3 H -9.890 1.449 4.886 1.00 . A A . 16 LYS HG3 1 1 1 237 1 1 17 LYS HZ1 H -11.578 -1.589 7.274 1.00 . A A . 16 LYS HZ1 1 1 1 238 1 1 17 LYS HZ2 H -10.091 -2.340 7.550 1.00 . A A . 16 LYS HZ2 1 1 1 239 1 1 17 LYS HZ3 H -11.039 -2.808 6.231 1.00 . A A . 16 LYS HZ3 1 1 1 240 1 1 17 LYS N N -11.912 3.631 2.213 1.00 . A A . 16 LYS N 1 1 1 241 1 1 17 LYS NZ N -10.739 -1.999 6.815 1.00 . A A . 16 LYS NZ 1 1 1 242 1 1 17 LYS O O -8.657 2.279 1.811 1.00 . A A . 16 LYS O 1 1 1 243 1 1 18 LEU C C -8.634 3.372 -1.046 1.00 . A A . 17 LEU C 1 1 1 244 1 1 18 LEU CA C -9.588 2.203 -0.820 1.00 . A A . 17 LEU CA 1 1 1 245 1 1 18 LEU CB C -10.514 2.027 -2.027 1.00 . A A . 17 LEU CB 1 1 1 246 1 1 18 LEU CD1 C -9.147 0.268 -3.166 1.00 . A A . 17 LEU CD1 1 1 1 247 1 1 18 LEU CD2 C -10.872 1.533 -4.440 1.00 . A A . 17 LEU CD2 1 1 1 248 1 1 18 LEU CG C -9.841 1.609 -3.331 1.00 . A A . 17 LEU CG 1 1 1 249 1 1 18 LEU H H -11.355 2.564 0.278 1.00 . A A . 17 LEU H 1 1 1 250 1 1 18 LEU HA H -9.018 1.302 -0.673 1.00 . A A . 17 LEU HA 1 1 1 251 1 1 18 LEU HB2 H -11.251 1.276 -1.778 1.00 . A A . 17 LEU HB2 1 1 1 252 1 1 18 LEU HB3 H -11.023 2.963 -2.197 1.00 . A A . 17 LEU HB3 1 1 1 253 1 1 18 LEU HD11 H -8.732 -0.041 -4.114 1.00 . A A . 17 LEU HD11 1 1 1 254 1 1 18 LEU HD12 H -9.864 -0.467 -2.829 1.00 . A A . 17 LEU HD12 1 1 1 255 1 1 18 LEU HD13 H -8.357 0.361 -2.440 1.00 . A A . 17 LEU HD13 1 1 1 256 1 1 18 LEU HD21 H -11.333 2.501 -4.569 1.00 . A A . 17 LEU HD21 1 1 1 257 1 1 18 LEU HD22 H -11.627 0.807 -4.173 1.00 . A A . 17 LEU HD22 1 1 1 258 1 1 18 LEU HD23 H -10.392 1.235 -5.359 1.00 . A A . 17 LEU HD23 1 1 1 259 1 1 18 LEU HG H -9.100 2.345 -3.606 1.00 . A A . 17 LEU HG 1 1 1 260 1 1 18 LEU N N -10.385 2.438 0.374 1.00 . A A . 17 LEU N 1 1 1 261 1 1 18 LEU O O -7.501 3.194 -1.498 1.00 . A A . 17 LEU O 1 1 1 262 1 1 19 ALA C C -7.150 5.729 0.196 1.00 . A A . 18 ALA C 1 1 1 263 1 1 19 ALA CA C -8.292 5.769 -0.810 1.00 . A A . 18 ALA CA 1 1 1 264 1 1 19 ALA CB C -9.156 6.999 -0.591 1.00 . A A . 18 ALA CB 1 1 1 265 1 1 19 ALA H H -10.022 4.641 -0.378 1.00 . A A . 18 ALA H 1 1 1 266 1 1 19 ALA HA H -7.883 5.811 -1.808 1.00 . A A . 18 ALA HA 1 1 1 267 1 1 19 ALA HB1 H -9.573 6.971 0.404 1.00 . A A . 18 ALA HB1 1 1 1 268 1 1 19 ALA HB2 H -9.956 7.008 -1.316 1.00 . A A . 18 ALA HB2 1 1 1 269 1 1 19 ALA HB3 H -8.553 7.887 -0.707 1.00 . A A . 18 ALA HB3 1 1 1 270 1 1 19 ALA N N -9.101 4.567 -0.706 1.00 . A A . 18 ALA N 1 1 1 271 1 1 19 ALA O O -6.013 6.087 -0.123 1.00 . A A . 18 ALA O 1 1 1 272 1 1 20 LYS C C -5.422 4.065 1.977 1.00 . A A . 19 LYS C 1 1 1 273 1 1 20 LYS CA C -6.451 5.088 2.442 1.00 . A A . 19 LYS CA 1 1 1 274 1 1 20 LYS CB C -7.088 4.620 3.757 1.00 . A A . 19 LYS CB 1 1 1 275 1 1 20 LYS CD C -6.709 3.783 6.109 1.00 . A A . 19 LYS CD 1 1 1 276 1 1 20 LYS CE C -5.659 3.308 7.100 1.00 . A A . 19 LYS CE 1 1 1 277 1 1 20 LYS CG C -6.060 4.257 4.818 1.00 . A A . 19 LYS CG 1 1 1 278 1 1 20 LYS H H -8.401 5.089 1.621 1.00 . A A . 19 LYS H 1 1 1 279 1 1 20 LYS HA H -5.957 6.033 2.606 1.00 . A A . 19 LYS HA 1 1 1 280 1 1 20 LYS HB2 H -7.716 5.410 4.144 1.00 . A A . 19 LYS HB2 1 1 1 281 1 1 20 LYS HB3 H -7.696 3.750 3.564 1.00 . A A . 19 LYS HB3 1 1 1 282 1 1 20 LYS HD2 H -7.261 4.601 6.546 1.00 . A A . 19 LYS HD2 1 1 1 283 1 1 20 LYS HD3 H -7.381 2.967 5.887 1.00 . A A . 19 LYS HD3 1 1 1 284 1 1 20 LYS HE2 H -5.134 2.467 6.671 1.00 . A A . 19 LYS HE2 1 1 1 285 1 1 20 LYS HE3 H -4.960 4.111 7.274 1.00 . A A . 19 LYS HE3 1 1 1 286 1 1 20 LYS HG2 H -5.432 3.466 4.433 1.00 . A A . 19 LYS HG2 1 1 1 287 1 1 20 LYS HG3 H -5.453 5.125 5.029 1.00 . A A . 19 LYS HG3 1 1 1 288 1 1 20 LYS HZ1 H -6.952 2.136 8.250 1.00 . A A . 19 LYS HZ1 1 1 1 289 1 1 20 LYS HZ2 H -6.717 3.697 8.858 1.00 . A A . 19 LYS HZ2 1 1 1 290 1 1 20 LYS HZ3 H -5.505 2.533 9.030 1.00 . A A . 19 LYS HZ3 1 1 1 291 1 1 20 LYS N N -7.464 5.284 1.412 1.00 . A A . 19 LYS N 1 1 1 292 1 1 20 LYS NZ N -6.249 2.891 8.399 1.00 . A A . 19 LYS NZ 1 1 1 293 1 1 20 LYS O O -4.223 4.231 2.194 1.00 . A A . 19 LYS O 1 1 1 294 1 1 21 4PH C33 C -2.705 -3.207 -2.168 1.00 . A A . 20 4PH C33 1 1 1 295 1 1 21 4PH H33 H -1.914 -3.453 -1.476 1.00 . A A . 20 4PH H33 1 1 1 296 1 1 21 4PH H33A H -3.286 -4.089 -2.382 1.00 . A A . 20 4PH H33A 1 1 1 297 1 1 21 4PH H33B H -2.272 -2.821 -3.081 1.00 . A A . 20 4PH H33B 1 1 1 298 1 1 22 GLN C C -2.690 4.962 -1.458 1.00 . A A . 21 GLN C 1 1 1 299 1 1 22 GLN CA C -3.695 4.034 -2.137 1.00 . A A . 21 GLN CA 1 1 1 300 1 1 22 GLN CB C -4.543 4.820 -3.139 1.00 . A A . 21 GLN CB 1 1 1 301 1 1 22 GLN CD C -4.488 3.175 -5.051 1.00 . A A . 21 GLN CD 1 1 1 302 1 1 22 GLN CG C -5.356 3.935 -4.066 1.00 . A A . 21 GLN CG 1 1 1 303 1 1 22 GLN H H -5.524 3.503 -1.198 1.00 . A A . 21 GLN H 1 1 1 304 1 1 22 GLN HA H -3.151 3.266 -2.667 1.00 . A A . 21 GLN HA 1 1 1 305 1 1 22 GLN HB2 H -5.224 5.457 -2.596 1.00 . A A . 21 GLN HB2 1 1 1 306 1 1 22 GLN HB3 H -3.891 5.435 -3.741 1.00 . A A . 21 GLN HB3 1 1 1 307 1 1 22 GLN HE21 H -4.258 1.680 -3.766 1.00 . A A . 21 GLN HE21 1 1 1 308 1 1 22 GLN HE22 H -3.453 1.496 -5.281 1.00 . A A . 21 GLN HE22 1 1 1 309 1 1 22 GLN HG2 H -5.908 3.225 -3.470 1.00 . A A . 21 GLN HG2 1 1 1 310 1 1 22 GLN HG3 H -6.048 4.555 -4.620 1.00 . A A . 21 GLN HG3 1 1 1 311 1 1 22 GLN N N -4.550 3.369 -1.155 1.00 . A A . 21 GLN N 1 1 1 312 1 1 22 GLN NE2 N -4.022 1.999 -4.659 1.00 . A A . 21 GLN NE2 1 1 1 313 1 1 22 GLN O O -1.560 5.116 -1.924 1.00 . A A . 21 GLN O 1 1 1 314 1 1 22 GLN OE1 O -4.231 3.644 -6.160 1.00 . A A . 21 GLN OE1 1 1 1 315 1 1 23 ALA C C -1.128 5.672 1.093 1.00 . A A . 22 ALA C 1 1 1 316 1 1 23 ALA CA C -2.240 6.455 0.407 1.00 . A A . 22 ALA CA 1 1 1 317 1 1 23 ALA CB C -3.057 7.224 1.431 1.00 . A A . 22 ALA CB 1 1 1 318 1 1 23 ALA H H -4.018 5.409 -0.037 1.00 . A A . 22 ALA H 1 1 1 319 1 1 23 ALA HA H -1.802 7.163 -0.277 1.00 . A A . 22 ALA HA 1 1 1 320 1 1 23 ALA HB1 H -3.491 6.530 2.136 1.00 . A A . 22 ALA HB1 1 1 1 321 1 1 23 ALA HB2 H -3.844 7.765 0.928 1.00 . A A . 22 ALA HB2 1 1 1 322 1 1 23 ALA HB3 H -2.418 7.918 1.954 1.00 . A A . 22 ALA HB3 1 1 1 323 1 1 23 ALA N N -3.104 5.566 -0.353 1.00 . A A . 22 ALA N 1 1 1 324 1 1 23 ALA O O 0.025 6.102 1.129 1.00 . A A . 22 ALA O 1 1 1 325 1 1 24 ASP C C 0.454 3.039 1.297 1.00 . A A . 23 ASP C 1 1 1 326 1 1 24 ASP CA C -0.513 3.660 2.303 1.00 . A A . 23 ASP CA 1 1 1 327 1 1 24 ASP CB C -1.226 2.571 3.113 1.00 . A A . 23 ASP CB 1 1 1 328 1 1 24 ASP CG C -0.266 1.761 3.955 1.00 . A A . 23 ASP CG 1 1 1 329 1 1 24 ASP H H -2.419 4.224 1.562 1.00 . A A . 23 ASP H 1 1 1 330 1 1 24 ASP HA H 0.053 4.285 2.981 1.00 . A A . 23 ASP HA 1 1 1 331 1 1 24 ASP HB2 H -1.948 3.031 3.771 1.00 . A A . 23 ASP HB2 1 1 1 332 1 1 24 ASP HB3 H -1.736 1.900 2.436 1.00 . A A . 23 ASP HB3 1 1 1 333 1 1 24 ASP N N -1.480 4.511 1.622 1.00 . A A . 23 ASP N 1 1 1 334 1 1 24 ASP O O 1.629 2.820 1.598 1.00 . A A . 23 ASP O 1 1 1 335 1 1 24 ASP OD1 O 0.326 2.329 4.895 1.00 . A A . 23 ASP OD1 1 1 1 336 1 1 24 ASP OD2 O -0.108 0.550 3.694 1.00 . A A . 23 ASP OD2 1 1 1 337 1 1 25 LEU C C 1.831 3.318 -1.408 1.00 . A A . 24 LEU C 1 1 1 338 1 1 25 LEU CA C 0.813 2.273 -0.988 1.00 . A A . 24 LEU CA 1 1 1 339 1 1 25 LEU CB C -0.015 1.826 -2.198 1.00 . A A . 24 LEU CB 1 1 1 340 1 1 25 LEU CD1 C 0.657 -0.578 -2.455 1.00 . A A . 24 LEU CD1 1 1 1 341 1 1 25 LEU CD2 C -1.128 0.032 -0.837 1.00 . A A . 24 LEU CD2 1 1 1 342 1 1 25 LEU CG C -0.497 0.371 -2.173 1.00 . A A . 24 LEU CG 1 1 1 343 1 1 25 LEU H H -0.996 2.905 -0.077 1.00 . A A . 24 LEU H 1 1 1 344 1 1 25 LEU HA H 1.344 1.418 -0.602 1.00 . A A . 24 LEU HA 1 1 1 345 1 1 25 LEU HB2 H -0.883 2.467 -2.266 1.00 . A A . 24 LEU HB2 1 1 1 346 1 1 25 LEU HB3 H 0.585 1.966 -3.086 1.00 . A A . 24 LEU HB3 1 1 1 347 1 1 25 LEU HD11 H 0.284 -1.590 -2.512 1.00 . A A . 24 LEU HD11 1 1 1 348 1 1 25 LEU HD12 H 1.384 -0.507 -1.661 1.00 . A A . 24 LEU HD12 1 1 1 349 1 1 25 LEU HD13 H 1.123 -0.311 -3.393 1.00 . A A . 24 LEU HD13 1 1 1 350 1 1 25 LEU HD21 H -1.481 -0.989 -0.854 1.00 . A A . 24 LEU HD21 1 1 1 351 1 1 25 LEU HD22 H -1.959 0.698 -0.654 1.00 . A A . 24 LEU HD22 1 1 1 352 1 1 25 LEU HD23 H -0.395 0.146 -0.052 1.00 . A A . 24 LEU HD23 1 1 1 353 1 1 25 LEU HG H -1.242 0.230 -2.943 1.00 . A A . 24 LEU HG 1 1 1 354 1 1 25 LEU N N -0.037 2.772 0.091 1.00 . A A . 24 LEU N 1 1 1 355 1 1 25 LEU O O 2.927 2.980 -1.848 1.00 . A A . 24 LEU O 1 1 1 356 1 1 26 ALA C C 3.604 5.595 -0.618 1.00 . A A . 25 ALA C 1 1 1 357 1 1 26 ALA CA C 2.399 5.672 -1.545 1.00 . A A . 25 ALA CA 1 1 1 358 1 1 26 ALA CB C 1.705 7.015 -1.408 1.00 . A A . 25 ALA CB 1 1 1 359 1 1 26 ALA H H 0.561 4.797 -0.963 1.00 . A A . 25 ALA H 1 1 1 360 1 1 26 ALA HA H 2.736 5.566 -2.567 1.00 . A A . 25 ALA HA 1 1 1 361 1 1 26 ALA HB1 H 1.374 7.146 -0.389 1.00 . A A . 25 ALA HB1 1 1 1 362 1 1 26 ALA HB2 H 0.852 7.047 -2.069 1.00 . A A . 25 ALA HB2 1 1 1 363 1 1 26 ALA HB3 H 2.393 7.804 -1.669 1.00 . A A . 25 ALA HB3 1 1 1 364 1 1 26 ALA N N 1.472 4.586 -1.261 1.00 . A A . 25 ALA N 1 1 1 365 1 1 26 ALA O O 4.737 5.843 -1.032 1.00 . A A . 25 ALA O 1 1 1 366 1 1 27 LYS C C 5.280 3.840 1.232 1.00 . A A . 26 LYS C 1 1 1 367 1 1 27 LYS CA C 4.423 5.044 1.607 1.00 . A A . 26 LYS CA 1 1 1 368 1 1 27 LYS CB C 3.850 4.872 3.019 1.00 . A A . 26 LYS CB 1 1 1 369 1 1 27 LYS CD C 4.505 7.119 3.942 1.00 . A A . 26 LYS CD 1 1 1 370 1 1 27 LYS CE C 4.020 8.417 4.569 1.00 . A A . 26 LYS CE 1 1 1 371 1 1 27 LYS CG C 3.355 6.168 3.648 1.00 . A A . 26 LYS CG 1 1 1 372 1 1 27 LYS H H 2.427 5.052 0.905 1.00 . A A . 26 LYS H 1 1 1 373 1 1 27 LYS HA H 5.040 5.929 1.581 1.00 . A A . 26 LYS HA 1 1 1 374 1 1 27 LYS HB2 H 3.022 4.180 2.977 1.00 . A A . 26 LYS HB2 1 1 1 375 1 1 27 LYS HB3 H 4.618 4.459 3.655 1.00 . A A . 26 LYS HB3 1 1 1 376 1 1 27 LYS HD2 H 5.190 6.638 4.625 1.00 . A A . 26 LYS HD2 1 1 1 377 1 1 27 LYS HD3 H 5.017 7.345 3.020 1.00 . A A . 26 LYS HD3 1 1 1 378 1 1 27 LYS HE2 H 3.500 8.187 5.486 1.00 . A A . 26 LYS HE2 1 1 1 379 1 1 27 LYS HE3 H 4.877 9.035 4.790 1.00 . A A . 26 LYS HE3 1 1 1 380 1 1 27 LYS HG2 H 2.668 6.649 2.970 1.00 . A A . 26 LYS HG2 1 1 1 381 1 1 27 LYS HG3 H 2.847 5.936 4.574 1.00 . A A . 26 LYS HG3 1 1 1 382 1 1 27 LYS HZ1 H 3.560 9.343 2.755 1.00 . A A . 26 LYS HZ1 1 1 1 383 1 1 27 LYS HZ2 H 2.850 10.078 4.098 1.00 . A A . 26 LYS HZ2 1 1 1 384 1 1 27 LYS HZ3 H 2.232 8.622 3.512 1.00 . A A . 26 LYS HZ3 1 1 1 385 1 1 27 LYS N N 3.354 5.222 0.634 1.00 . A A . 26 LYS N 1 1 1 386 1 1 27 LYS NZ N 3.103 9.165 3.671 1.00 . A A . 26 LYS NZ 1 1 1 387 1 1 27 LYS O O 6.508 3.880 1.325 1.00 . A A . 26 LYS O 1 1 1 388 1 1 28 4PH C33 C 6.343 -3.886 -2.934 1.00 . A A . 27 4PH C33 1 1 1 389 1 1 28 4PH H33 H 6.374 -3.630 -3.981 1.00 . A A . 27 4PH H33 1 1 1 390 1 1 28 4PH H33A H 7.336 -4.126 -2.585 1.00 . A A . 27 4PH H33A 1 1 1 391 1 1 28 4PH H33B H 5.692 -4.738 -2.797 1.00 . A A . 27 4PH H33B 1 1 1 392 1 1 29 GLN C C 7.542 3.777 -2.782 1.00 . A A . 28 GLN C 1 1 1 393 1 1 29 GLN CA C 6.361 2.854 -3.078 1.00 . A A . 28 GLN CA 1 1 1 394 1 1 29 GLN CB C 5.434 3.488 -4.119 1.00 . A A . 28 GLN CB 1 1 1 395 1 1 29 GLN CD C 3.461 3.177 -5.675 1.00 . A A . 28 GLN CD 1 1 1 396 1 1 29 GLN CG C 4.425 2.509 -4.714 1.00 . A A . 28 GLN CG 1 1 1 397 1 1 29 GLN H H 4.688 2.831 -1.773 1.00 . A A . 28 GLN H 1 1 1 398 1 1 29 GLN HA H 6.745 1.926 -3.474 1.00 . A A . 28 GLN HA 1 1 1 399 1 1 29 GLN HB2 H 4.888 4.298 -3.653 1.00 . A A . 28 GLN HB2 1 1 1 400 1 1 29 GLN HB3 H 6.037 3.888 -4.922 1.00 . A A . 28 GLN HB3 1 1 1 401 1 1 29 GLN HE21 H 2.074 1.813 -5.271 1.00 . A A . 28 GLN HE21 1 1 1 402 1 1 29 GLN HE22 H 1.619 3.035 -6.404 1.00 . A A . 28 GLN HE22 1 1 1 403 1 1 29 GLN HG2 H 4.959 1.737 -5.247 1.00 . A A . 28 GLN HG2 1 1 1 404 1 1 29 GLN HG3 H 3.857 2.062 -3.910 1.00 . A A . 28 GLN HG3 1 1 1 405 1 1 29 GLN N N 5.624 2.537 -1.859 1.00 . A A . 28 GLN N 1 1 1 406 1 1 29 GLN NE2 N 2.266 2.619 -5.797 1.00 . A A . 28 GLN NE2 1 1 1 407 1 1 29 GLN O O 8.589 3.686 -3.424 1.00 . A A . 28 GLN O 1 1 1 408 1 1 29 GLN OE1 O 3.792 4.176 -6.314 1.00 . A A . 28 GLN OE1 1 1 1 409 1 1 30 LYS C C 9.583 4.741 -0.759 1.00 . A A . 29 LYS C 1 1 1 410 1 1 30 LYS CA C 8.442 5.546 -1.369 1.00 . A A . 29 LYS CA 1 1 1 411 1 1 30 LYS CB C 7.914 6.562 -0.347 1.00 . A A . 29 LYS CB 1 1 1 412 1 1 30 LYS CD C 8.406 8.430 1.262 1.00 . A A . 29 LYS CD 1 1 1 413 1 1 30 LYS CE C 9.487 9.293 1.898 1.00 . A A . 29 LYS CE 1 1 1 414 1 1 30 LYS CG C 8.984 7.482 0.224 1.00 . A A . 29 LYS CG 1 1 1 415 1 1 30 LYS H H 6.499 4.706 -1.352 1.00 . A A . 29 LYS H 1 1 1 416 1 1 30 LYS HA H 8.808 6.072 -2.238 1.00 . A A . 29 LYS HA 1 1 1 417 1 1 30 LYS HB2 H 7.162 7.174 -0.821 1.00 . A A . 29 LYS HB2 1 1 1 418 1 1 30 LYS HB3 H 7.460 6.025 0.473 1.00 . A A . 29 LYS HB3 1 1 1 419 1 1 30 LYS HD2 H 7.681 9.073 0.785 1.00 . A A . 29 LYS HD2 1 1 1 420 1 1 30 LYS HD3 H 7.920 7.850 2.033 1.00 . A A . 29 LYS HD3 1 1 1 421 1 1 30 LYS HE2 H 10.012 9.823 1.117 1.00 . A A . 29 LYS HE2 1 1 1 422 1 1 30 LYS HE3 H 9.017 10.005 2.562 1.00 . A A . 29 LYS HE3 1 1 1 423 1 1 30 LYS HG2 H 9.751 6.881 0.688 1.00 . A A . 29 LYS HG2 1 1 1 424 1 1 30 LYS HG3 H 9.414 8.061 -0.581 1.00 . A A . 29 LYS HG3 1 1 1 425 1 1 30 LYS HZ1 H 10.932 7.791 2.052 1.00 . A A . 29 LYS HZ1 1 1 1 426 1 1 30 LYS HZ2 H 9.985 7.971 3.438 1.00 . A A . 29 LYS HZ2 1 1 1 427 1 1 30 LYS HZ3 H 11.194 9.100 3.090 1.00 . A A . 29 LYS HZ3 1 1 1 428 1 1 30 LYS N N 7.371 4.655 -1.799 1.00 . A A . 29 LYS N 1 1 1 429 1 1 30 LYS NZ N 10.467 8.482 2.673 1.00 . A A . 29 LYS NZ 1 1 1 430 1 1 30 LYS O O 10.755 4.963 -1.071 1.00 . A A . 29 LYS O 1 1 1 431 1 1 31 ASP C C 10.809 1.928 -0.171 1.00 . A A . 30 ASP C 1 1 1 432 1 1 31 ASP CA C 10.214 2.964 0.782 1.00 . A A . 30 ASP CA 1 1 1 433 1 1 31 ASP CB C 9.579 2.280 2.000 1.00 . A A . 30 ASP CB 1 1 1 434 1 1 31 ASP CG C 10.564 1.441 2.788 1.00 . A A . 30 ASP CG 1 1 1 435 1 1 31 ASP H H 8.270 3.637 0.265 1.00 . A A . 30 ASP H 1 1 1 436 1 1 31 ASP HA H 11.006 3.616 1.119 1.00 . A A . 30 ASP HA 1 1 1 437 1 1 31 ASP HB2 H 9.175 3.033 2.661 1.00 . A A . 30 ASP HB2 1 1 1 438 1 1 31 ASP HB3 H 8.778 1.637 1.667 1.00 . A A . 30 ASP HB3 1 1 1 439 1 1 31 ASP N N 9.226 3.789 0.094 1.00 . A A . 30 ASP N 1 1 1 440 1 1 31 ASP O O 11.958 1.518 -0.021 1.00 . A A . 30 ASP O 1 1 1 441 1 1 31 ASP OD1 O 11.676 1.927 3.078 1.00 . A A . 30 ASP OD1 1 1 1 442 1 1 31 ASP OD2 O 10.214 0.301 3.156 1.00 . A A . 30 ASP OD2 1 1 1 443 1 1 32 LEU C C 11.619 1.217 -2.982 1.00 . A A . 31 LEU C 1 1 1 444 1 1 32 LEU CA C 10.486 0.585 -2.176 1.00 . A A . 31 LEU CA 1 1 1 445 1 1 32 LEU CB C 9.319 0.196 -3.101 1.00 . A A . 31 LEU CB 1 1 1 446 1 1 32 LEU CD1 C 10.564 -1.202 -4.799 1.00 . A A . 31 LEU CD1 1 1 1 447 1 1 32 LEU CD2 C 9.582 -2.273 -2.772 1.00 . A A . 31 LEU CD2 1 1 1 448 1 1 32 LEU CG C 9.421 -1.168 -3.800 1.00 . A A . 31 LEU CG 1 1 1 449 1 1 32 LEU H H 9.101 1.856 -1.205 1.00 . A A . 31 LEU H 1 1 1 450 1 1 32 LEU HA H 10.856 -0.293 -1.673 1.00 . A A . 31 LEU HA 1 1 1 451 1 1 32 LEU HB2 H 8.410 0.203 -2.517 1.00 . A A . 31 LEU HB2 1 1 1 452 1 1 32 LEU HB3 H 9.236 0.953 -3.865 1.00 . A A . 31 LEU HB3 1 1 1 453 1 1 32 LEU HD11 H 10.407 -0.446 -5.553 1.00 . A A . 31 LEU HD11 1 1 1 454 1 1 32 LEU HD12 H 10.605 -2.175 -5.266 1.00 . A A . 31 LEU HD12 1 1 1 455 1 1 32 LEU HD13 H 11.496 -1.011 -4.286 1.00 . A A . 31 LEU HD13 1 1 1 456 1 1 32 LEU HD21 H 9.540 -3.231 -3.266 1.00 . A A . 31 LEU HD21 1 1 1 457 1 1 32 LEU HD22 H 8.786 -2.202 -2.045 1.00 . A A . 31 LEU HD22 1 1 1 458 1 1 32 LEU HD23 H 10.533 -2.165 -2.276 1.00 . A A . 31 LEU HD23 1 1 1 459 1 1 32 LEU HG H 8.506 -1.353 -4.343 1.00 . A A . 31 LEU HG 1 1 1 460 1 1 32 LEU N N 10.025 1.526 -1.163 1.00 . A A . 31 LEU N 1 1 1 461 1 1 32 LEU O O 12.599 0.556 -3.324 1.00 . A A . 31 LEU O 1 1 1 462 1 1 33 ALA C C 13.824 3.247 -3.241 1.00 . A A . 32 ALA C 1 1 1 463 1 1 33 ALA CA C 12.496 3.261 -3.987 1.00 . A A . 32 ALA CA 1 1 1 464 1 1 33 ALA CB C 12.026 4.687 -4.208 1.00 . A A . 32 ALA CB 1 1 1 465 1 1 33 ALA H H 10.662 2.967 -2.981 1.00 . A A . 32 ALA H 1 1 1 466 1 1 33 ALA HA H 12.629 2.798 -4.951 1.00 . A A . 32 ALA HA 1 1 1 467 1 1 33 ALA HB1 H 11.100 4.679 -4.761 1.00 . A A . 32 ALA HB1 1 1 1 468 1 1 33 ALA HB2 H 12.774 5.232 -4.763 1.00 . A A . 32 ALA HB2 1 1 1 469 1 1 33 ALA HB3 H 11.869 5.162 -3.251 1.00 . A A . 32 ALA HB3 1 1 1 470 1 1 33 ALA N N 11.479 2.508 -3.263 1.00 . A A . 32 ALA N 1 1 1 471 1 1 33 ALA O O 14.892 3.259 -3.849 1.00 . A A . 32 ALA O 1 1 1 472 1 1 34 ASP C C 15.550 1.741 -1.160 1.00 . A A . 33 ASP C 1 1 1 473 1 1 34 ASP CA C 14.928 3.131 -1.069 1.00 . A A . 33 ASP CA 1 1 1 474 1 1 34 ASP CB C 14.567 3.454 0.387 1.00 . A A . 33 ASP CB 1 1 1 475 1 1 34 ASP CG C 15.700 3.167 1.353 1.00 . A A . 33 ASP CG 1 1 1 476 1 1 34 ASP H H 12.858 3.259 -1.500 1.00 . A A . 33 ASP H 1 1 1 477 1 1 34 ASP HA H 15.644 3.856 -1.425 1.00 . A A . 33 ASP HA 1 1 1 478 1 1 34 ASP HB2 H 14.314 4.500 0.465 1.00 . A A . 33 ASP HB2 1 1 1 479 1 1 34 ASP HB3 H 13.713 2.861 0.679 1.00 . A A . 33 ASP HB3 1 1 1 480 1 1 34 ASP N N 13.742 3.219 -1.918 1.00 . A A . 33 ASP N 1 1 1 481 1 1 34 ASP O O 16.774 1.592 -1.181 1.00 . A A . 33 ASP O 1 1 1 482 1 1 34 ASP OD1 O 16.637 3.988 1.442 1.00 . A A . 33 ASP OD1 1 1 1 483 1 1 34 ASP OD2 O 15.648 2.126 2.040 1.00 . A A . 33 ASP OD2 1 1 1 484 1 1 35 4PH C33 C 15.130 -7.112 -1.152 1.00 . A A . 34 4PH C33 1 1 1 485 1 1 35 4PH H33 H 14.304 -7.653 -1.587 1.00 . A A . 34 4PH H33 1 1 1 486 1 1 35 4PH H33A H 16.026 -7.296 -1.724 1.00 . A A . 34 4PH H33A 1 1 1 487 1 1 35 4PH H33B H 15.274 -7.446 -0.133 1.00 . A A . 34 4PH H33B 1 1 1 488 1 1 36 NH2 HN1 H 17.537 -1.206 -1.739 1.00 . A A . 35 NH2 HN1 1 1 1 489 1 1 36 NH2 HN2 H 17.550 -1.396 -3.456 1.00 . A A . 35 NH2 HN2 1 1 1 490 1 1 36 NH2 N N 17.092 -1.207 -2.611 1.00 . A A . 35 NH2 N 1 1 2 491 1 1 1 ACE C C 13.353 -4.575 6.522 1.00 . A A . 0 ACE C 1 1 2 492 1 1 1 ACE CH3 C 14.304 -3.712 5.742 1.00 . A A . 0 ACE CH3 1 1 2 493 1 1 1 ACE H1 H 15.191 -4.295 5.513 1.00 . A A . 0 ACE H1 1 1 2 494 1 1 1 ACE H2 H 14.580 -2.859 6.332 1.00 . A A . 0 ACE H2 1 1 2 495 1 1 1 ACE H3 H 13.810 -3.381 4.835 1.00 . A A . 0 ACE H3 1 1 2 496 1 1 1 ACE O O 12.922 -4.212 7.613 1.00 . A A . 0 ACE O 1 1 2 497 1 1 2 PRO C C 10.908 -5.186 4.778 1.00 . A A . 1 PRO C 1 1 2 498 1 1 2 PRO CA C 12.281 -5.858 4.712 1.00 . A A . 1 PRO CA 1 1 2 499 1 1 2 PRO CB C 12.132 -7.373 4.511 1.00 . A A . 1 PRO CB 1 1 2 500 1 1 2 PRO CD C 13.323 -7.063 6.557 1.00 . A A . 1 PRO CD 1 1 2 501 1 1 2 PRO CG C 12.366 -7.978 5.850 1.00 . A A . 1 PRO CG 1 1 2 502 1 1 2 PRO HA H 12.850 -5.436 3.895 1.00 . A A . 1 PRO HA 1 1 2 503 1 1 2 PRO HB2 H 11.134 -7.599 4.154 1.00 . A A . 1 PRO HB2 1 1 2 504 1 1 2 PRO HB3 H 12.870 -7.728 3.811 1.00 . A A . 1 PRO HB3 1 1 2 505 1 1 2 PRO HD2 H 13.141 -7.070 7.622 1.00 . A A . 1 PRO HD2 1 1 2 506 1 1 2 PRO HD3 H 14.344 -7.344 6.344 1.00 . A A . 1 PRO HD3 1 1 2 507 1 1 2 PRO HG2 H 11.431 -8.041 6.392 1.00 . A A . 1 PRO HG2 1 1 2 508 1 1 2 PRO HG3 H 12.807 -8.958 5.741 1.00 . A A . 1 PRO HG3 1 1 2 509 1 1 2 PRO N N 13.012 -5.748 5.980 1.00 . A A . 1 PRO N 1 1 2 510 1 1 2 PRO O O 10.109 -5.480 5.669 1.00 . A A . 1 PRO O 1 1 2 511 1 1 3 PRO C C 8.151 -4.437 3.515 1.00 . A A . 2 PRO C 1 1 2 512 1 1 3 PRO CA C 9.349 -3.536 3.821 1.00 . A A . 2 PRO CA 1 1 2 513 1 1 3 PRO CB C 9.544 -2.503 2.704 1.00 . A A . 2 PRO CB 1 1 2 514 1 1 3 PRO CD C 11.501 -3.890 2.722 1.00 . A A . 2 PRO CD 1 1 2 515 1 1 3 PRO CG C 10.619 -3.051 1.835 1.00 . A A . 2 PRO CG 1 1 2 516 1 1 3 PRO HA H 9.183 -3.029 4.762 1.00 . A A . 2 PRO HA 1 1 2 517 1 1 3 PRO HB2 H 8.620 -2.384 2.147 1.00 . A A . 2 PRO HB2 1 1 2 518 1 1 3 PRO HB3 H 9.854 -1.556 3.121 1.00 . A A . 2 PRO HB3 1 1 2 519 1 1 3 PRO HD2 H 11.847 -4.764 2.188 1.00 . A A . 2 PRO HD2 1 1 2 520 1 1 3 PRO HD3 H 12.340 -3.309 3.079 1.00 . A A . 2 PRO HD3 1 1 2 521 1 1 3 PRO HG2 H 10.181 -3.658 1.053 1.00 . A A . 2 PRO HG2 1 1 2 522 1 1 3 PRO HG3 H 11.189 -2.242 1.405 1.00 . A A . 2 PRO HG3 1 1 2 523 1 1 3 PRO N N 10.617 -4.274 3.837 1.00 . A A . 2 PRO N 1 1 2 524 1 1 3 PRO O O 8.134 -5.144 2.504 1.00 . A A . 2 PRO O 1 1 2 525 1 1 4 THR C C 5.029 -4.610 3.181 1.00 . A A . 3 THR C 1 1 2 526 1 1 4 THR CA C 5.962 -5.222 4.220 1.00 . A A . 3 THR CA 1 1 2 527 1 1 4 THR CB C 5.213 -5.402 5.554 1.00 . A A . 3 THR CB 1 1 2 528 1 1 4 THR CG2 C 5.921 -6.417 6.434 1.00 . A A . 3 THR CG2 1 1 2 529 1 1 4 THR H H 7.226 -3.837 5.182 1.00 . A A . 3 THR H 1 1 2 530 1 1 4 THR HA H 6.275 -6.196 3.876 1.00 . A A . 3 THR HA 1 1 2 531 1 1 4 THR HB H 4.218 -5.765 5.343 1.00 . A A . 3 THR HB 1 1 2 532 1 1 4 THR HG1 H 5.368 -3.432 5.643 1.00 . A A . 3 THR HG1 1 1 2 533 1 1 4 THR HG21 H 5.365 -6.550 7.348 1.00 . A A . 3 THR HG21 1 1 2 534 1 1 4 THR HG22 H 6.914 -6.065 6.664 1.00 . A A . 3 THR HG22 1 1 2 535 1 1 4 THR HG23 H 5.987 -7.361 5.912 1.00 . A A . 3 THR HG23 1 1 2 536 1 1 4 THR N N 7.157 -4.414 4.395 1.00 . A A . 3 THR N 1 1 2 537 1 1 4 THR O O 4.646 -3.442 3.283 1.00 . A A . 3 THR O 1 1 2 538 1 1 4 THR OG1 O 5.115 -4.147 6.242 1.00 . A A . 3 THR OG1 1 1 2 539 1 1 5 LYS C C 2.347 -5.195 1.431 1.00 . A A . 4 LYS C 1 1 2 540 1 1 5 LYS CA C 3.820 -4.944 1.102 1.00 . A A . 4 LYS CA 1 1 2 541 1 1 5 LYS CB C 4.193 -5.645 -0.213 1.00 . A A . 4 LYS CB 1 1 2 542 1 1 5 LYS CD C 4.243 -7.766 -1.563 1.00 . A A . 4 LYS CD 1 1 2 543 1 1 5 LYS CE C 3.737 -7.062 -2.813 1.00 . A A . 4 LYS CE 1 1 2 544 1 1 5 LYS CG C 3.745 -7.092 -0.293 1.00 . A A . 4 LYS CG 1 1 2 545 1 1 5 LYS H H 5.024 -6.323 2.163 1.00 . A A . 4 LYS H 1 1 2 546 1 1 5 LYS HA H 3.970 -3.882 0.990 1.00 . A A . 4 LYS HA 1 1 2 547 1 1 5 LYS HB2 H 3.741 -5.109 -1.034 1.00 . A A . 4 LYS HB2 1 1 2 548 1 1 5 LYS HB3 H 5.267 -5.620 -0.327 1.00 . A A . 4 LYS HB3 1 1 2 549 1 1 5 LYS HD2 H 5.323 -7.752 -1.568 1.00 . A A . 4 LYS HD2 1 1 2 550 1 1 5 LYS HD3 H 3.898 -8.789 -1.574 1.00 . A A . 4 LYS HD3 1 1 2 551 1 1 5 LYS HE2 H 4.080 -6.038 -2.797 1.00 . A A . 4 LYS HE2 1 1 2 552 1 1 5 LYS HE3 H 4.140 -7.561 -3.680 1.00 . A A . 4 LYS HE3 1 1 2 553 1 1 5 LYS HG2 H 4.132 -7.626 0.560 1.00 . A A . 4 LYS HG2 1 1 2 554 1 1 5 LYS HG3 H 2.665 -7.120 -0.282 1.00 . A A . 4 LYS HG3 1 1 2 555 1 1 5 LYS HZ1 H 1.838 -6.566 -2.088 1.00 . A A . 4 LYS HZ1 1 1 2 556 1 1 5 LYS HZ2 H 1.897 -8.045 -2.900 1.00 . A A . 4 LYS HZ2 1 1 2 557 1 1 5 LYS HZ3 H 1.940 -6.603 -3.775 1.00 . A A . 4 LYS HZ3 1 1 2 558 1 1 5 LYS N N 4.683 -5.404 2.179 1.00 . A A . 4 LYS N 1 1 2 559 1 1 5 LYS NZ N 2.251 -7.069 -2.899 1.00 . A A . 4 LYS NZ 1 1 2 560 1 1 5 LYS O O 2.010 -6.154 2.129 1.00 . A A . 4 LYS O 1 1 2 561 1 1 6 PRO C C -0.606 -5.447 0.127 1.00 . A A . 5 PRO C 1 1 2 562 1 1 6 PRO CA C 0.014 -4.466 1.122 1.00 . A A . 5 PRO CA 1 1 2 563 1 1 6 PRO CB C -0.498 -3.053 0.873 1.00 . A A . 5 PRO CB 1 1 2 564 1 1 6 PRO CD C 1.800 -3.092 0.192 1.00 . A A . 5 PRO CD 1 1 2 565 1 1 6 PRO CG C 0.466 -2.453 -0.085 1.00 . A A . 5 PRO CG 1 1 2 566 1 1 6 PRO HA H -0.233 -4.772 2.128 1.00 . A A . 5 PRO HA 1 1 2 567 1 1 6 PRO HB2 H -1.488 -3.095 0.448 1.00 . A A . 5 PRO HB2 1 1 2 568 1 1 6 PRO HB3 H -0.506 -2.491 1.792 1.00 . A A . 5 PRO HB3 1 1 2 569 1 1 6 PRO HD2 H 2.297 -3.335 -0.737 1.00 . A A . 5 PRO HD2 1 1 2 570 1 1 6 PRO HD3 H 2.416 -2.436 0.791 1.00 . A A . 5 PRO HD3 1 1 2 571 1 1 6 PRO HG2 H 0.152 -2.662 -1.099 1.00 . A A . 5 PRO HG2 1 1 2 572 1 1 6 PRO HG3 H 0.528 -1.388 0.078 1.00 . A A . 5 PRO HG3 1 1 2 573 1 1 6 PRO N N 1.459 -4.320 0.942 1.00 . A A . 5 PRO N 1 1 2 574 1 1 6 PRO O O 0.056 -5.903 -0.811 1.00 . A A . 5 PRO O 1 1 2 575 1 1 7 THR C C -3.834 -6.009 -1.119 1.00 . A A . 6 THR C 1 1 2 576 1 1 7 THR CA C -2.593 -6.686 -0.533 1.00 . A A . 6 THR CA 1 1 2 577 1 1 7 THR CB C -2.991 -7.979 0.217 1.00 . A A . 6 THR CB 1 1 2 578 1 1 7 THR CG2 C -3.978 -7.685 1.336 1.00 . A A . 6 THR CG2 1 1 2 579 1 1 7 THR H H -2.346 -5.380 1.110 1.00 . A A . 6 THR H 1 1 2 580 1 1 7 THR HA H -1.932 -6.955 -1.343 1.00 . A A . 6 THR HA 1 1 2 581 1 1 7 THR HB H -2.100 -8.404 0.653 1.00 . A A . 6 THR HB 1 1 2 582 1 1 7 THR HG1 H -4.503 -9.040 -0.487 1.00 . A A . 6 THR HG1 1 1 2 583 1 1 7 THR HG21 H -4.865 -7.231 0.921 1.00 . A A . 6 THR HG21 1 1 2 584 1 1 7 THR HG22 H -3.526 -7.012 2.048 1.00 . A A . 6 THR HG22 1 1 2 585 1 1 7 THR HG23 H -4.245 -8.607 1.830 1.00 . A A . 6 THR HG23 1 1 2 586 1 1 7 THR N N -1.875 -5.771 0.341 1.00 . A A . 6 THR N 1 1 2 587 1 1 7 THR O O -4.449 -5.155 -0.476 1.00 . A A . 6 THR O 1 1 2 588 1 1 7 THR OG1 O -3.564 -8.932 -0.690 1.00 . A A . 6 THR OG1 1 1 2 589 1 1 8 LYS C C -6.636 -6.043 -2.350 1.00 . A A . 7 LYS C 1 1 2 590 1 1 8 LYS CA C -5.309 -5.795 -3.063 1.00 . A A . 7 LYS CA 1 1 2 591 1 1 8 LYS CB C -5.380 -6.348 -4.490 1.00 . A A . 7 LYS CB 1 1 2 592 1 1 8 LYS CD C -4.285 -4.346 -5.548 1.00 . A A . 7 LYS CD 1 1 2 593 1 1 8 LYS CE C -3.334 -3.864 -6.632 1.00 . A A . 7 LYS CE 1 1 2 594 1 1 8 LYS CG C -4.263 -5.860 -5.402 1.00 . A A . 7 LYS CG 1 1 2 595 1 1 8 LYS H H -3.661 -7.098 -2.782 1.00 . A A . 7 LYS H 1 1 2 596 1 1 8 LYS HA H -5.144 -4.732 -3.117 1.00 . A A . 7 LYS HA 1 1 2 597 1 1 8 LYS HB2 H -5.333 -7.427 -4.446 1.00 . A A . 7 LYS HB2 1 1 2 598 1 1 8 LYS HB3 H -6.324 -6.058 -4.927 1.00 . A A . 7 LYS HB3 1 1 2 599 1 1 8 LYS HD2 H -5.288 -4.033 -5.798 1.00 . A A . 7 LYS HD2 1 1 2 600 1 1 8 LYS HD3 H -3.993 -3.902 -4.606 1.00 . A A . 7 LYS HD3 1 1 2 601 1 1 8 LYS HE2 H -3.621 -4.309 -7.572 1.00 . A A . 7 LYS HE2 1 1 2 602 1 1 8 LYS HE3 H -3.411 -2.789 -6.706 1.00 . A A . 7 LYS HE3 1 1 2 603 1 1 8 LYS HG2 H -3.314 -6.158 -4.982 1.00 . A A . 7 LYS HG2 1 1 2 604 1 1 8 LYS HG3 H -4.385 -6.310 -6.376 1.00 . A A . 7 LYS HG3 1 1 2 605 1 1 8 LYS HZ1 H -1.827 -5.257 -6.251 1.00 . A A . 7 LYS HZ1 1 1 2 606 1 1 8 LYS HZ2 H -1.614 -3.785 -5.448 1.00 . A A . 7 LYS HZ2 1 1 2 607 1 1 8 LYS HZ3 H -1.302 -3.897 -7.104 1.00 . A A . 7 LYS HZ3 1 1 2 608 1 1 8 LYS N N -4.180 -6.388 -2.346 1.00 . A A . 7 LYS N 1 1 2 609 1 1 8 LYS NZ N -1.922 -4.226 -6.337 1.00 . A A . 7 LYS NZ 1 1 2 610 1 1 8 LYS O O -7.048 -7.191 -2.168 1.00 . A A . 7 LYS O 1 1 2 611 1 1 9 PRO C C -9.707 -5.514 -2.300 1.00 . A A . 8 PRO C 1 1 2 612 1 1 9 PRO CA C -8.641 -5.053 -1.311 1.00 . A A . 8 PRO CA 1 1 2 613 1 1 9 PRO CB C -8.934 -3.617 -0.853 1.00 . A A . 8 PRO CB 1 1 2 614 1 1 9 PRO CD C -6.836 -3.573 -1.988 1.00 . A A . 8 PRO CD 1 1 2 615 1 1 9 PRO CG C -7.633 -2.895 -0.909 1.00 . A A . 8 PRO CG 1 1 2 616 1 1 9 PRO HA H -8.637 -5.714 -0.457 1.00 . A A . 8 PRO HA 1 1 2 617 1 1 9 PRO HB2 H -9.653 -3.161 -1.524 1.00 . A A . 8 PRO HB2 1 1 2 618 1 1 9 PRO HB3 H -9.317 -3.621 0.157 1.00 . A A . 8 PRO HB3 1 1 2 619 1 1 9 PRO HD2 H -7.049 -3.132 -2.953 1.00 . A A . 8 PRO HD2 1 1 2 620 1 1 9 PRO HD3 H -5.779 -3.517 -1.767 1.00 . A A . 8 PRO HD3 1 1 2 621 1 1 9 PRO HG2 H -7.801 -1.855 -1.156 1.00 . A A . 8 PRO HG2 1 1 2 622 1 1 9 PRO HG3 H -7.118 -2.978 0.038 1.00 . A A . 8 PRO HG3 1 1 2 623 1 1 9 PRO N N -7.315 -4.965 -1.926 1.00 . A A . 8 PRO N 1 1 2 624 1 1 9 PRO O O -9.844 -4.952 -3.389 1.00 . A A . 8 PRO O 1 1 2 625 1 1 10 GLY C C -12.879 -6.548 -2.216 1.00 . A A . 9 GLY C 1 1 2 626 1 1 10 GLY CA C -11.543 -7.019 -2.748 1.00 . A A . 9 GLY CA 1 1 2 627 1 1 10 GLY H H -10.247 -6.995 -1.073 1.00 . A A . 9 GLY H 1 1 2 628 1 1 10 GLY HA2 H -11.412 -6.647 -3.753 1.00 . A A . 9 GLY HA2 1 1 2 629 1 1 10 GLY HA3 H -11.533 -8.098 -2.769 1.00 . A A . 9 GLY HA3 1 1 2 630 1 1 10 GLY N N -10.444 -6.549 -1.926 1.00 . A A . 9 GLY N 1 1 2 631 1 1 10 GLY O O -13.521 -5.673 -2.798 1.00 . A A . 9 GLY O 1 1 2 632 1 1 11 ASP C C -14.325 -5.514 0.442 1.00 . A A . 10 ASP C 1 1 2 633 1 1 11 ASP CA C -14.543 -6.722 -0.452 1.00 . A A . 10 ASP CA 1 1 2 634 1 1 11 ASP CB C -15.123 -7.874 0.369 1.00 . A A . 10 ASP CB 1 1 2 635 1 1 11 ASP CG C -15.664 -8.995 -0.496 1.00 . A A . 10 ASP CG 1 1 2 636 1 1 11 ASP H H -12.735 -7.808 -0.675 1.00 . A A . 10 ASP H 1 1 2 637 1 1 11 ASP HA H -15.244 -6.458 -1.230 1.00 . A A . 10 ASP HA 1 1 2 638 1 1 11 ASP HB2 H -14.351 -8.279 1.006 1.00 . A A . 10 ASP HB2 1 1 2 639 1 1 11 ASP HB3 H -15.927 -7.498 0.981 1.00 . A A . 10 ASP HB3 1 1 2 640 1 1 11 ASP N N -13.289 -7.110 -1.090 1.00 . A A . 10 ASP N 1 1 2 641 1 1 11 ASP O O -15.221 -4.691 0.627 1.00 . A A . 10 ASP O 1 1 2 642 1 1 11 ASP OD1 O -16.811 -8.878 -0.976 1.00 . A A . 10 ASP OD1 1 1 2 643 1 1 11 ASP OD2 O -14.957 -10.003 -0.689 1.00 . A A . 10 ASP OD2 1 1 2 644 1 1 12 ASN C C -12.295 -3.095 1.006 1.00 . A A . 11 ASN C 1 1 2 645 1 1 12 ASN CA C -12.746 -4.291 1.839 1.00 . A A . 11 ASN CA 1 1 2 646 1 1 12 ASN CB C -11.644 -4.693 2.831 1.00 . A A . 11 ASN CB 1 1 2 647 1 1 12 ASN CG C -10.361 -5.164 2.163 1.00 . A A . 11 ASN CG 1 1 2 648 1 1 12 ASN H H -12.454 -6.109 0.799 1.00 . A A . 11 ASN H 1 1 2 649 1 1 12 ASN HA H -13.625 -4.006 2.394 1.00 . A A . 11 ASN HA 1 1 2 650 1 1 12 ASN HB2 H -11.407 -3.842 3.449 1.00 . A A . 11 ASN HB2 1 1 2 651 1 1 12 ASN HB3 H -12.013 -5.491 3.457 1.00 . A A . 11 ASN HB3 1 1 2 652 1 1 12 ASN HD21 H -9.279 -4.424 3.656 1.00 . A A . 11 ASN HD21 1 1 2 653 1 1 12 ASN HD22 H -8.386 -5.187 2.393 1.00 . A A . 11 ASN HD22 1 1 2 654 1 1 12 ASN N N -13.119 -5.409 0.980 1.00 . A A . 11 ASN N 1 1 2 655 1 1 12 ASN ND2 N -9.229 -4.899 2.802 1.00 . A A . 11 ASN ND2 1 1 2 656 1 1 12 ASN O O -11.777 -2.116 1.539 1.00 . A A . 11 ASN O 1 1 2 657 1 1 12 ASN OD1 O -10.381 -5.764 1.088 1.00 . A A . 11 ASN OD1 1 1 2 658 1 1 13 ALA C C -13.070 -0.947 -1.201 1.00 . A A . 12 ALA C 1 1 2 659 1 1 13 ALA CA C -12.119 -2.140 -1.244 1.00 . A A . 12 ALA CA 1 1 2 660 1 1 13 ALA CB C -12.059 -2.708 -2.651 1.00 . A A . 12 ALA CB 1 1 2 661 1 1 13 ALA H H -12.943 -3.988 -0.649 1.00 . A A . 12 ALA H 1 1 2 662 1 1 13 ALA HA H -11.130 -1.805 -0.976 1.00 . A A . 12 ALA HA 1 1 2 663 1 1 13 ALA HB1 H -11.405 -3.569 -2.663 1.00 . A A . 12 ALA HB1 1 1 2 664 1 1 13 ALA HB2 H -11.677 -1.955 -3.326 1.00 . A A . 12 ALA HB2 1 1 2 665 1 1 13 ALA HB3 H -13.049 -3.004 -2.963 1.00 . A A . 12 ALA HB3 1 1 2 666 1 1 13 ALA N N -12.507 -3.186 -0.302 1.00 . A A . 12 ALA N 1 1 2 667 1 1 13 ALA O O -13.211 -0.223 -2.189 1.00 . A A . 12 ALA O 1 1 2 668 1 1 14 THR C C -13.910 1.688 -0.165 1.00 . A A . 13 THR C 1 1 2 669 1 1 14 THR CA C -14.625 0.371 0.125 1.00 . A A . 13 THR CA 1 1 2 670 1 1 14 THR CB C -15.188 0.393 1.558 1.00 . A A . 13 THR CB 1 1 2 671 1 1 14 THR CG2 C -16.226 -0.699 1.749 1.00 . A A . 13 THR CG2 1 1 2 672 1 1 14 THR H H -13.557 -1.361 0.683 1.00 . A A . 13 THR H 1 1 2 673 1 1 14 THR HA H -15.448 0.258 -0.562 1.00 . A A . 13 THR HA 1 1 2 674 1 1 14 THR HB H -15.662 1.350 1.723 1.00 . A A . 13 THR HB 1 1 2 675 1 1 14 THR HG1 H -14.246 0.850 3.231 1.00 . A A . 13 THR HG1 1 1 2 676 1 1 14 THR HG21 H -17.036 -0.549 1.051 1.00 . A A . 13 THR HG21 1 1 2 677 1 1 14 THR HG22 H -16.608 -0.656 2.758 1.00 . A A . 13 THR HG22 1 1 2 678 1 1 14 THR HG23 H -15.773 -1.662 1.575 1.00 . A A . 13 THR HG23 1 1 2 679 1 1 14 THR N N -13.719 -0.749 -0.063 1.00 . A A . 13 THR N 1 1 2 680 1 1 14 THR O O -12.788 1.889 0.289 1.00 . A A . 13 THR O 1 1 2 681 1 1 14 THR OG1 O -14.128 0.222 2.508 1.00 . A A . 13 THR OG1 1 1 2 682 1 1 15 PRO C C -13.198 4.598 -0.262 1.00 . A A . 14 PRO C 1 1 2 683 1 1 15 PRO CA C -13.947 3.857 -1.371 1.00 . A A . 14 PRO CA 1 1 2 684 1 1 15 PRO CB C -15.156 4.672 -1.829 1.00 . A A . 14 PRO CB 1 1 2 685 1 1 15 PRO CD C -15.930 2.430 -1.438 1.00 . A A . 14 PRO CD 1 1 2 686 1 1 15 PRO CG C -16.156 3.666 -2.276 1.00 . A A . 14 PRO CG 1 1 2 687 1 1 15 PRO HA H -13.281 3.701 -2.205 1.00 . A A . 14 PRO HA 1 1 2 688 1 1 15 PRO HB2 H -15.538 5.259 -1.003 1.00 . A A . 14 PRO HB2 1 1 2 689 1 1 15 PRO HB3 H -14.885 5.316 -2.651 1.00 . A A . 14 PRO HB3 1 1 2 690 1 1 15 PRO HD2 H -16.638 2.390 -0.621 1.00 . A A . 14 PRO HD2 1 1 2 691 1 1 15 PRO HD3 H -16.012 1.542 -2.046 1.00 . A A . 14 PRO HD3 1 1 2 692 1 1 15 PRO HG2 H -17.154 4.054 -2.116 1.00 . A A . 14 PRO HG2 1 1 2 693 1 1 15 PRO HG3 H -16.004 3.436 -3.322 1.00 . A A . 14 PRO HG3 1 1 2 694 1 1 15 PRO N N -14.552 2.589 -0.929 1.00 . A A . 14 PRO N 1 1 2 695 1 1 15 PRO O O -12.132 5.168 -0.490 1.00 . A A . 14 PRO O 1 1 2 696 1 1 16 GLU C C -11.833 4.665 2.495 1.00 . A A . 15 GLU C 1 1 2 697 1 1 16 GLU CA C -13.170 5.274 2.075 1.00 . A A . 15 GLU CA 1 1 2 698 1 1 16 GLU CB C -14.144 5.260 3.249 1.00 . A A . 15 GLU CB 1 1 2 699 1 1 16 GLU CD C -16.403 5.934 4.138 1.00 . A A . 15 GLU CD 1 1 2 700 1 1 16 GLU CG C -15.439 6.003 2.975 1.00 . A A . 15 GLU CG 1 1 2 701 1 1 16 GLU H H -14.565 4.035 1.075 1.00 . A A . 15 GLU H 1 1 2 702 1 1 16 GLU HA H -13.006 6.293 1.769 1.00 . A A . 15 GLU HA 1 1 2 703 1 1 16 GLU HB2 H -14.390 4.236 3.483 1.00 . A A . 15 GLU HB2 1 1 2 704 1 1 16 GLU HB3 H -13.667 5.712 4.104 1.00 . A A . 15 GLU HB3 1 1 2 705 1 1 16 GLU HG2 H -15.213 7.040 2.777 1.00 . A A . 15 GLU HG2 1 1 2 706 1 1 16 GLU HG3 H -15.912 5.566 2.108 1.00 . A A . 15 GLU HG3 1 1 2 707 1 1 16 GLU N N -13.750 4.561 0.943 1.00 . A A . 15 GLU N 1 1 2 708 1 1 16 GLU O O -10.905 5.376 2.885 1.00 . A A . 15 GLU O 1 1 2 709 1 1 16 GLU OE1 O -17.352 5.123 4.083 1.00 . A A . 15 GLU OE1 1 1 2 710 1 1 16 GLU OE2 O -16.217 6.694 5.112 1.00 . A A . 15 GLU OE2 1 1 2 711 1 1 17 LYS C C -9.595 2.530 1.582 1.00 . A A . 16 LYS C 1 1 2 712 1 1 17 LYS CA C -10.529 2.638 2.782 1.00 . A A . 16 LYS CA 1 1 2 713 1 1 17 LYS CB C -10.883 1.243 3.311 1.00 . A A . 16 LYS CB 1 1 2 714 1 1 17 LYS CD C -10.095 -0.925 4.303 1.00 . A A . 16 LYS CD 1 1 2 715 1 1 17 LYS CE C -8.923 -1.671 4.920 1.00 . A A . 16 LYS CE 1 1 2 716 1 1 17 LYS CG C -9.687 0.456 3.823 1.00 . A A . 16 LYS CG 1 1 2 717 1 1 17 LYS H H -12.501 2.842 2.058 1.00 . A A . 16 LYS H 1 1 2 718 1 1 17 LYS HA H -10.039 3.202 3.559 1.00 . A A . 16 LYS HA 1 1 2 719 1 1 17 LYS HB2 H -11.588 1.347 4.125 1.00 . A A . 16 LYS HB2 1 1 2 720 1 1 17 LYS HB3 H -11.346 0.674 2.515 1.00 . A A . 16 LYS HB3 1 1 2 721 1 1 17 LYS HD2 H -10.874 -0.822 5.044 1.00 . A A . 16 LYS HD2 1 1 2 722 1 1 17 LYS HD3 H -10.469 -1.491 3.462 1.00 . A A . 16 LYS HD3 1 1 2 723 1 1 17 LYS HE2 H -9.237 -2.676 5.158 1.00 . A A . 16 LYS HE2 1 1 2 724 1 1 17 LYS HE3 H -8.119 -1.708 4.199 1.00 . A A . 16 LYS HE3 1 1 2 725 1 1 17 LYS HG2 H -8.968 0.351 3.024 1.00 . A A . 16 LYS HG2 1 1 2 726 1 1 17 LYS HG3 H -9.240 0.994 4.644 1.00 . A A . 16 LYS HG3 1 1 2 727 1 1 17 LYS HZ1 H -7.639 -1.546 6.561 1.00 . A A . 16 LYS HZ1 1 1 2 728 1 1 17 LYS HZ2 H -9.193 -0.964 6.864 1.00 . A A . 16 LYS HZ2 1 1 2 729 1 1 17 LYS HZ3 H -8.111 -0.043 5.948 1.00 . A A . 16 LYS HZ3 1 1 2 730 1 1 17 LYS N N -11.740 3.349 2.403 1.00 . A A . 16 LYS N 1 1 2 731 1 1 17 LYS NZ N -8.432 -1.009 6.157 1.00 . A A . 16 LYS NZ 1 1 2 732 1 1 17 LYS O O -8.374 2.542 1.724 1.00 . A A . 16 LYS O 1 1 2 733 1 1 18 LEU C C -8.607 3.576 -1.092 1.00 . A A . 17 LEU C 1 1 2 734 1 1 18 LEU CA C -9.448 2.327 -0.847 1.00 . A A . 17 LEU CA 1 1 2 735 1 1 18 LEU CB C -10.424 2.106 -2.003 1.00 . A A . 17 LEU CB 1 1 2 736 1 1 18 LEU CD1 C -9.008 0.464 -3.251 1.00 . A A . 17 LEU CD1 1 1 2 737 1 1 18 LEU CD2 C -10.885 1.628 -4.399 1.00 . A A . 17 LEU CD2 1 1 2 738 1 1 18 LEU CG C -9.799 1.756 -3.349 1.00 . A A . 17 LEU CG 1 1 2 739 1 1 18 LEU H H -11.172 2.464 0.361 1.00 . A A . 17 LEU H 1 1 2 740 1 1 18 LEU HA H -8.798 1.472 -0.766 1.00 . A A . 17 LEU HA 1 1 2 741 1 1 18 LEU HB2 H -11.094 1.304 -1.732 1.00 . A A . 17 LEU HB2 1 1 2 742 1 1 18 LEU HB3 H -11.001 3.008 -2.129 1.00 . A A . 17 LEU HB3 1 1 2 743 1 1 18 LEU HD11 H -9.660 -0.331 -2.916 1.00 . A A . 17 LEU HD11 1 1 2 744 1 1 18 LEU HD12 H -8.204 0.589 -2.548 1.00 . A A . 17 LEU HD12 1 1 2 745 1 1 18 LEU HD13 H -8.606 0.213 -4.221 1.00 . A A . 17 LEU HD13 1 1 2 746 1 1 18 LEU HD21 H -11.404 2.570 -4.494 1.00 . A A . 17 LEU HD21 1 1 2 747 1 1 18 LEU HD22 H -11.583 0.860 -4.095 1.00 . A A . 17 LEU HD22 1 1 2 748 1 1 18 LEU HD23 H -10.442 1.361 -5.345 1.00 . A A . 17 LEU HD23 1 1 2 749 1 1 18 LEU HG H -9.126 2.544 -3.651 1.00 . A A . 17 LEU HG 1 1 2 750 1 1 18 LEU N N -10.190 2.448 0.398 1.00 . A A . 17 LEU N 1 1 2 751 1 1 18 LEU O O -7.493 3.500 -1.610 1.00 . A A . 17 LEU O 1 1 2 752 1 1 19 ALA C C -7.223 6.032 0.062 1.00 . A A . 18 ALA C 1 1 2 753 1 1 19 ALA CA C -8.452 5.989 -0.840 1.00 . A A . 18 ALA CA 1 1 2 754 1 1 19 ALA CB C -9.393 7.136 -0.516 1.00 . A A . 18 ALA CB 1 1 2 755 1 1 19 ALA H H -10.048 4.713 -0.313 1.00 . A A . 18 ALA H 1 1 2 756 1 1 19 ALA HA H -8.138 6.088 -1.868 1.00 . A A . 18 ALA HA 1 1 2 757 1 1 19 ALA HB1 H -10.254 7.087 -1.166 1.00 . A A . 18 ALA HB1 1 1 2 758 1 1 19 ALA HB2 H -8.881 8.075 -0.663 1.00 . A A . 18 ALA HB2 1 1 2 759 1 1 19 ALA HB3 H -9.715 7.056 0.512 1.00 . A A . 18 ALA HB3 1 1 2 760 1 1 19 ALA N N -9.149 4.721 -0.701 1.00 . A A . 18 ALA N 1 1 2 761 1 1 19 ALA O O -6.138 6.440 -0.365 1.00 . A A . 18 ALA O 1 1 2 762 1 1 20 LYS C C -5.301 4.451 1.817 1.00 . A A . 19 LYS C 1 1 2 763 1 1 20 LYS CA C -6.289 5.529 2.249 1.00 . A A . 19 LYS CA 1 1 2 764 1 1 20 LYS CB C -6.795 5.250 3.667 1.00 . A A . 19 LYS CB 1 1 2 765 1 1 20 LYS CD C -6.262 5.130 6.125 1.00 . A A . 19 LYS CD 1 1 2 766 1 1 20 LYS CE C -5.196 5.323 7.195 1.00 . A A . 19 LYS CE 1 1 2 767 1 1 20 LYS CG C -5.704 5.339 4.726 1.00 . A A . 19 LYS CG 1 1 2 768 1 1 20 LYS H H -8.290 5.316 1.596 1.00 . A A . 19 LYS H 1 1 2 769 1 1 20 LYS HA H -5.788 6.485 2.236 1.00 . A A . 19 LYS HA 1 1 2 770 1 1 20 LYS HB2 H -7.566 5.968 3.910 1.00 . A A . 19 LYS HB2 1 1 2 771 1 1 20 LYS HB3 H -7.217 4.256 3.700 1.00 . A A . 19 LYS HB3 1 1 2 772 1 1 20 LYS HD2 H -7.058 5.841 6.294 1.00 . A A . 19 LYS HD2 1 1 2 773 1 1 20 LYS HD3 H -6.652 4.126 6.198 1.00 . A A . 19 LYS HD3 1 1 2 774 1 1 20 LYS HE2 H -4.779 6.312 7.094 1.00 . A A . 19 LYS HE2 1 1 2 775 1 1 20 LYS HE3 H -5.661 5.228 8.164 1.00 . A A . 19 LYS HE3 1 1 2 776 1 1 20 LYS HG2 H -4.965 4.577 4.529 1.00 . A A . 19 LYS HG2 1 1 2 777 1 1 20 LYS HG3 H -5.242 6.314 4.673 1.00 . A A . 19 LYS HG3 1 1 2 778 1 1 20 LYS HZ1 H -3.635 4.394 6.158 1.00 . A A . 19 LYS HZ1 1 1 2 779 1 1 20 LYS HZ2 H -4.478 3.362 7.199 1.00 . A A . 19 LYS HZ2 1 1 2 780 1 1 20 LYS HZ3 H -3.389 4.490 7.828 1.00 . A A . 19 LYS HZ3 1 1 2 781 1 1 20 LYS N N -7.396 5.594 1.306 1.00 . A A . 19 LYS N 1 1 2 782 1 1 20 LYS NZ N -4.100 4.324 7.086 1.00 . A A . 19 LYS NZ 1 1 2 783 1 1 20 LYS O O -4.098 4.579 2.024 1.00 . A A . 19 LYS O 1 1 2 784 1 1 21 4PH C33 C -2.915 -2.876 -2.449 1.00 . A A . 20 4PH C33 1 1 2 785 1 1 21 4PH H33 H -2.603 -2.525 -3.421 1.00 . A A . 20 4PH H33 1 1 2 786 1 1 21 4PH H33A H -2.047 -3.082 -1.841 1.00 . A A . 20 4PH H33A 1 1 2 787 1 1 21 4PH H33B H -3.499 -3.776 -2.567 1.00 . A A . 20 4PH H33B 1 1 2 788 1 1 22 GLN C C -2.710 5.289 -1.693 1.00 . A A . 21 GLN C 1 1 2 789 1 1 22 GLN CA C -3.792 4.409 -2.319 1.00 . A A . 21 GLN CA 1 1 2 790 1 1 22 GLN CB C -4.685 5.237 -3.243 1.00 . A A . 21 GLN CB 1 1 2 791 1 1 22 GLN CD C -4.968 3.552 -5.105 1.00 . A A . 21 GLN CD 1 1 2 792 1 1 22 GLN CG C -5.660 4.395 -4.051 1.00 . A A . 21 GLN CG 1 1 2 793 1 1 22 GLN H H -5.562 3.945 -1.241 1.00 . A A . 21 GLN H 1 1 2 794 1 1 22 GLN HA H -3.313 3.634 -2.898 1.00 . A A . 21 GLN HA 1 1 2 795 1 1 22 GLN HB2 H -5.254 5.935 -2.648 1.00 . A A . 21 GLN HB2 1 1 2 796 1 1 22 GLN HB3 H -4.061 5.788 -3.932 1.00 . A A . 21 GLN HB3 1 1 2 797 1 1 22 GLN HE21 H -4.688 2.075 -3.808 1.00 . A A . 21 GLN HE21 1 1 2 798 1 1 22 GLN HE22 H -4.085 1.798 -5.401 1.00 . A A . 21 GLN HE22 1 1 2 799 1 1 22 GLN HG2 H -6.189 3.740 -3.376 1.00 . A A . 21 GLN HG2 1 1 2 800 1 1 22 GLN HG3 H -6.365 5.051 -4.540 1.00 . A A . 21 GLN HG3 1 1 2 801 1 1 22 GLN N N -4.597 3.757 -1.288 1.00 . A A . 21 GLN N 1 1 2 802 1 1 22 GLN NE2 N -4.538 2.356 -4.734 1.00 . A A . 21 GLN NE2 1 1 2 803 1 1 22 GLN O O -1.615 5.425 -2.242 1.00 . A A . 21 GLN O 1 1 2 804 1 1 22 GLN OE1 O -4.815 3.977 -6.249 1.00 . A A . 21 GLN OE1 1 1 2 805 1 1 23 ALA C C -1.013 5.777 0.854 1.00 . A A . 22 ALA C 1 1 2 806 1 1 23 ALA CA C -2.053 6.676 0.198 1.00 . A A . 22 ALA CA 1 1 2 807 1 1 23 ALA CB C -2.765 7.519 1.242 1.00 . A A . 22 ALA CB 1 1 2 808 1 1 23 ALA H H -3.920 5.758 -0.174 1.00 . A A . 22 ALA H 1 1 2 809 1 1 23 ALA HA H -1.562 7.337 -0.498 1.00 . A A . 22 ALA HA 1 1 2 810 1 1 23 ALA HB1 H -3.496 8.147 0.757 1.00 . A A . 22 ALA HB1 1 1 2 811 1 1 23 ALA HB2 H -2.046 8.134 1.759 1.00 . A A . 22 ALA HB2 1 1 2 812 1 1 23 ALA HB3 H -3.262 6.868 1.948 1.00 . A A . 22 ALA HB3 1 1 2 813 1 1 23 ALA N N -3.019 5.872 -0.541 1.00 . A A . 22 ALA N 1 1 2 814 1 1 23 ALA O O 0.167 6.119 0.939 1.00 . A A . 22 ALA O 1 1 2 815 1 1 24 ASP C C 0.389 3.077 0.878 1.00 . A A . 23 ASP C 1 1 2 816 1 1 24 ASP CA C -0.593 3.621 1.912 1.00 . A A . 23 ASP CA 1 1 2 817 1 1 24 ASP CB C -1.422 2.480 2.512 1.00 . A A . 23 ASP CB 1 1 2 818 1 1 24 ASP CG C -0.564 1.379 3.091 1.00 . A A . 23 ASP CG 1 1 2 819 1 1 24 ASP H H -2.433 4.440 1.254 1.00 . A A . 23 ASP H 1 1 2 820 1 1 24 ASP HA H -0.034 4.101 2.702 1.00 . A A . 23 ASP HA 1 1 2 821 1 1 24 ASP HB2 H -2.044 2.873 3.304 1.00 . A A . 23 ASP HB2 1 1 2 822 1 1 24 ASP HB3 H -2.052 2.055 1.744 1.00 . A A . 23 ASP HB3 1 1 2 823 1 1 24 ASP N N -1.468 4.621 1.312 1.00 . A A . 23 ASP N 1 1 2 824 1 1 24 ASP O O 1.566 2.862 1.174 1.00 . A A . 23 ASP O 1 1 2 825 1 1 24 ASP OD1 O -0.128 1.513 4.255 1.00 . A A . 23 ASP OD1 1 1 2 826 1 1 24 ASP OD2 O -0.347 0.362 2.403 1.00 . A A . 23 ASP OD2 1 1 2 827 1 1 25 LEU C C 1.831 3.476 -1.740 1.00 . A A . 24 LEU C 1 1 2 828 1 1 25 LEU CA C 0.760 2.444 -1.446 1.00 . A A . 24 LEU CA 1 1 2 829 1 1 25 LEU CB C -0.056 2.165 -2.713 1.00 . A A . 24 LEU CB 1 1 2 830 1 1 25 LEU CD1 C 0.492 -0.233 -3.193 1.00 . A A . 24 LEU CD1 1 1 2 831 1 1 25 LEU CD2 C -1.293 0.316 -1.555 1.00 . A A . 24 LEU CD2 1 1 2 832 1 1 25 LEU CG C -0.616 0.745 -2.840 1.00 . A A . 24 LEU CG 1 1 2 833 1 1 25 LEU H H -1.056 3.008 -0.507 1.00 . A A . 24 LEU H 1 1 2 834 1 1 25 LEU HA H 1.244 1.529 -1.138 1.00 . A A . 24 LEU HA 1 1 2 835 1 1 25 LEU HB2 H -0.888 2.857 -2.738 1.00 . A A . 24 LEU HB2 1 1 2 836 1 1 25 LEU HB3 H 0.575 2.355 -3.568 1.00 . A A . 24 LEU HB3 1 1 2 837 1 1 25 LEU HD11 H 1.251 -0.218 -2.425 1.00 . A A . 24 LEU HD11 1 1 2 838 1 1 25 LEU HD12 H 0.934 0.049 -4.139 1.00 . A A . 24 LEU HD12 1 1 2 839 1 1 25 LEU HD13 H 0.080 -1.229 -3.271 1.00 . A A . 24 LEU HD13 1 1 2 840 1 1 25 LEU HD21 H -1.676 -0.687 -1.668 1.00 . A A . 24 LEU HD21 1 1 2 841 1 1 25 LEU HD22 H -2.109 0.990 -1.338 1.00 . A A . 24 LEU HD22 1 1 2 842 1 1 25 LEU HD23 H -0.580 0.341 -0.745 1.00 . A A . 24 LEU HD23 1 1 2 843 1 1 25 LEU HG H -1.350 0.722 -3.632 1.00 . A A . 24 LEU HG 1 1 2 844 1 1 25 LEU N N -0.094 2.875 -0.344 1.00 . A A . 24 LEU N 1 1 2 845 1 1 25 LEU O O 2.937 3.129 -2.137 1.00 . A A . 24 LEU O 1 1 2 846 1 1 26 ALA C C 3.597 5.671 -0.712 1.00 . A A . 25 ALA C 1 1 2 847 1 1 26 ALA CA C 2.474 5.806 -1.732 1.00 . A A . 25 ALA CA 1 1 2 848 1 1 26 ALA CB C 1.800 7.163 -1.618 1.00 . A A . 25 ALA CB 1 1 2 849 1 1 26 ALA H H 0.589 4.965 -1.265 1.00 . A A . 25 ALA H 1 1 2 850 1 1 26 ALA HA H 2.889 5.712 -2.726 1.00 . A A . 25 ALA HA 1 1 2 851 1 1 26 ALA HB1 H 1.403 7.283 -0.622 1.00 . A A . 25 ALA HB1 1 1 2 852 1 1 26 ALA HB2 H 0.997 7.226 -2.337 1.00 . A A . 25 ALA HB2 1 1 2 853 1 1 26 ALA HB3 H 2.523 7.941 -1.815 1.00 . A A . 25 ALA HB3 1 1 2 854 1 1 26 ALA N N 1.503 4.741 -1.544 1.00 . A A . 25 ALA N 1 1 2 855 1 1 26 ALA O O 4.771 5.850 -1.035 1.00 . A A . 25 ALA O 1 1 2 856 1 1 27 LYS C C 5.077 3.896 1.211 1.00 . A A . 26 LYS C 1 1 2 857 1 1 27 LYS CA C 4.188 5.080 1.575 1.00 . A A . 26 LYS CA 1 1 2 858 1 1 27 LYS CB C 3.471 4.786 2.897 1.00 . A A . 26 LYS CB 1 1 2 859 1 1 27 LYS CD C 1.809 5.477 4.633 1.00 . A A . 26 LYS CD 1 1 2 860 1 1 27 LYS CE C 0.778 6.510 5.054 1.00 . A A . 26 LYS CE 1 1 2 861 1 1 27 LYS CG C 2.553 5.898 3.374 1.00 . A A . 26 LYS CG 1 1 2 862 1 1 27 LYS H H 2.268 5.211 0.708 1.00 . A A . 26 LYS H 1 1 2 863 1 1 27 LYS HA H 4.798 5.963 1.686 1.00 . A A . 26 LYS HA 1 1 2 864 1 1 27 LYS HB2 H 2.877 3.893 2.778 1.00 . A A . 26 LYS HB2 1 1 2 865 1 1 27 LYS HB3 H 4.213 4.610 3.661 1.00 . A A . 26 LYS HB3 1 1 2 866 1 1 27 LYS HD2 H 1.306 4.540 4.445 1.00 . A A . 26 LYS HD2 1 1 2 867 1 1 27 LYS HD3 H 2.523 5.348 5.433 1.00 . A A . 26 LYS HD3 1 1 2 868 1 1 27 LYS HE2 H 0.069 6.638 4.251 1.00 . A A . 26 LYS HE2 1 1 2 869 1 1 27 LYS HE3 H 0.263 6.147 5.932 1.00 . A A . 26 LYS HE3 1 1 2 870 1 1 27 LYS HG2 H 3.143 6.777 3.589 1.00 . A A . 26 LYS HG2 1 1 2 871 1 1 27 LYS HG3 H 1.836 6.122 2.599 1.00 . A A . 26 LYS HG3 1 1 2 872 1 1 27 LYS HZ1 H 0.675 8.484 5.720 1.00 . A A . 26 LYS HZ1 1 1 2 873 1 1 27 LYS HZ2 H 1.826 8.229 4.509 1.00 . A A . 26 LYS HZ2 1 1 2 874 1 1 27 LYS HZ3 H 2.136 7.712 6.089 1.00 . A A . 26 LYS HZ3 1 1 2 875 1 1 27 LYS N N 3.223 5.319 0.514 1.00 . A A . 26 LYS N 1 1 2 876 1 1 27 LYS NZ N 1.397 7.823 5.365 1.00 . A A . 26 LYS NZ 1 1 2 877 1 1 27 LYS O O 6.306 3.972 1.297 1.00 . A A . 26 LYS O 1 1 2 878 1 1 28 4PH C33 C 6.390 -4.088 -2.357 1.00 . A A . 27 4PH C33 1 1 2 879 1 1 28 4PH H33 H 7.279 -3.787 -2.888 1.00 . A A . 27 4PH H33 1 1 2 880 1 1 28 4PH H33A H 6.644 -4.831 -1.616 1.00 . A A . 27 4PH H33A 1 1 2 881 1 1 28 4PH H33B H 5.678 -4.498 -3.059 1.00 . A A . 27 4PH H33B 1 1 2 882 1 1 29 GLN C C 7.560 3.434 -2.788 1.00 . A A . 28 GLN C 1 1 2 883 1 1 29 GLN CA C 6.342 2.554 -3.045 1.00 . A A . 28 GLN CA 1 1 2 884 1 1 29 GLN CB C 5.479 3.155 -4.158 1.00 . A A . 28 GLN CB 1 1 2 885 1 1 29 GLN CD C 3.432 2.895 -5.621 1.00 . A A . 28 GLN CD 1 1 2 886 1 1 29 GLN CG C 4.376 2.222 -4.647 1.00 . A A . 28 GLN CG 1 1 2 887 1 1 29 GLN H H 4.631 2.702 -1.795 1.00 . A A . 28 GLN H 1 1 2 888 1 1 29 GLN HA H 6.685 1.579 -3.357 1.00 . A A . 28 GLN HA 1 1 2 889 1 1 29 GLN HB2 H 5.018 4.061 -3.790 1.00 . A A . 28 GLN HB2 1 1 2 890 1 1 29 GLN HB3 H 6.116 3.402 -4.998 1.00 . A A . 28 GLN HB3 1 1 2 891 1 1 29 GLN HE21 H 2.313 3.542 -4.118 1.00 . A A . 28 GLN HE21 1 1 2 892 1 1 29 GLN HE22 H 1.767 3.973 -5.697 1.00 . A A . 28 GLN HE22 1 1 2 893 1 1 29 GLN HG2 H 4.828 1.374 -5.139 1.00 . A A . 28 GLN HG2 1 1 2 894 1 1 29 GLN HG3 H 3.806 1.879 -3.795 1.00 . A A . 28 GLN HG3 1 1 2 895 1 1 29 GLN N N 5.559 2.373 -1.824 1.00 . A A . 28 GLN N 1 1 2 896 1 1 29 GLN NE2 N 2.402 3.536 -5.094 1.00 . A A . 28 GLN NE2 1 1 2 897 1 1 29 GLN O O 8.648 3.165 -3.299 1.00 . A A . 28 GLN O 1 1 2 898 1 1 29 GLN OE1 O 3.629 2.846 -6.835 1.00 . A A . 28 GLN OE1 1 1 2 899 1 1 30 LYS C C 9.545 4.652 -0.848 1.00 . A A . 29 LYS C 1 1 2 900 1 1 30 LYS CA C 8.453 5.380 -1.626 1.00 . A A . 29 LYS CA 1 1 2 901 1 1 30 LYS CB C 7.913 6.545 -0.793 1.00 . A A . 29 LYS CB 1 1 2 902 1 1 30 LYS CD C 8.400 8.643 0.507 1.00 . A A . 29 LYS CD 1 1 2 903 1 1 30 LYS CE C 7.426 9.506 -0.282 1.00 . A A . 29 LYS CE 1 1 2 904 1 1 30 LYS CG C 8.983 7.523 -0.341 1.00 . A A . 29 LYS CG 1 1 2 905 1 1 30 LYS H H 6.478 4.627 -1.606 1.00 . A A . 29 LYS H 1 1 2 906 1 1 30 LYS HA H 8.873 5.765 -2.543 1.00 . A A . 29 LYS HA 1 1 2 907 1 1 30 LYS HB2 H 7.187 7.085 -1.381 1.00 . A A . 29 LYS HB2 1 1 2 908 1 1 30 LYS HB3 H 7.425 6.148 0.085 1.00 . A A . 29 LYS HB3 1 1 2 909 1 1 30 LYS HD2 H 7.877 8.208 1.345 1.00 . A A . 29 LYS HD2 1 1 2 910 1 1 30 LYS HD3 H 9.206 9.264 0.868 1.00 . A A . 29 LYS HD3 1 1 2 911 1 1 30 LYS HE2 H 6.629 8.880 -0.654 1.00 . A A . 29 LYS HE2 1 1 2 912 1 1 30 LYS HE3 H 7.012 10.253 0.380 1.00 . A A . 29 LYS HE3 1 1 2 913 1 1 30 LYS HG2 H 9.720 6.991 0.243 1.00 . A A . 29 LYS HG2 1 1 2 914 1 1 30 LYS HG3 H 9.455 7.951 -1.212 1.00 . A A . 29 LYS HG3 1 1 2 915 1 1 30 LYS HZ1 H 8.427 9.487 -2.117 1.00 . A A . 29 LYS HZ1 1 1 2 916 1 1 30 LYS HZ2 H 8.888 10.755 -1.100 1.00 . A A . 29 LYS HZ2 1 1 2 917 1 1 30 LYS HZ3 H 7.405 10.818 -1.906 1.00 . A A . 29 LYS HZ3 1 1 2 918 1 1 30 LYS N N 7.372 4.468 -1.977 1.00 . A A . 29 LYS N 1 1 2 919 1 1 30 LYS NZ N 8.081 10.187 -1.432 1.00 . A A . 29 LYS NZ 1 1 2 920 1 1 30 LYS O O 10.736 4.802 -1.133 1.00 . A A . 29 LYS O 1 1 2 921 1 1 31 ASP C C 10.724 1.988 0.213 1.00 . A A . 30 ASP C 1 1 2 922 1 1 31 ASP CA C 10.073 3.138 0.976 1.00 . A A . 30 ASP CA 1 1 2 923 1 1 31 ASP CB C 9.379 2.621 2.240 1.00 . A A . 30 ASP CB 1 1 2 924 1 1 31 ASP CG C 10.338 1.926 3.183 1.00 . A A . 30 ASP CG 1 1 2 925 1 1 31 ASP H H 8.164 3.741 0.273 1.00 . A A . 30 ASP H 1 1 2 926 1 1 31 ASP HA H 10.844 3.838 1.265 1.00 . A A . 30 ASP HA 1 1 2 927 1 1 31 ASP HB2 H 8.930 3.451 2.765 1.00 . A A . 30 ASP HB2 1 1 2 928 1 1 31 ASP HB3 H 8.607 1.918 1.962 1.00 . A A . 30 ASP HB3 1 1 2 929 1 1 31 ASP N N 9.129 3.854 0.125 1.00 . A A . 30 ASP N 1 1 2 930 1 1 31 ASP O O 11.898 1.683 0.416 1.00 . A A . 30 ASP O 1 1 2 931 1 1 31 ASP OD1 O 11.265 2.591 3.696 1.00 . A A . 30 ASP OD1 1 1 2 932 1 1 31 ASP OD2 O 10.156 0.721 3.435 1.00 . A A . 30 ASP OD2 1 1 2 933 1 1 32 LEU C C 11.562 0.850 -2.448 1.00 . A A . 31 LEU C 1 1 2 934 1 1 32 LEU CA C 10.480 0.294 -1.523 1.00 . A A . 31 LEU CA 1 1 2 935 1 1 32 LEU CB C 9.334 -0.330 -2.340 1.00 . A A . 31 LEU CB 1 1 2 936 1 1 32 LEU CD1 C 10.625 -1.896 -3.849 1.00 . A A . 31 LEU CD1 1 1 2 937 1 1 32 LEU CD2 C 9.827 -2.680 -1.622 1.00 . A A . 31 LEU CD2 1 1 2 938 1 1 32 LEU CG C 9.527 -1.781 -2.806 1.00 . A A . 31 LEU CG 1 1 2 939 1 1 32 LEU H H 9.021 1.632 -0.773 1.00 . A A . 31 LEU H 1 1 2 940 1 1 32 LEU HA H 10.915 -0.455 -0.880 1.00 . A A . 31 LEU HA 1 1 2 941 1 1 32 LEU HB2 H 8.436 -0.290 -1.743 1.00 . A A . 31 LEU HB2 1 1 2 942 1 1 32 LEU HB3 H 9.184 0.281 -3.216 1.00 . A A . 31 LEU HB3 1 1 2 943 1 1 32 LEU HD11 H 10.361 -1.310 -4.717 1.00 . A A . 31 LEU HD11 1 1 2 944 1 1 32 LEU HD12 H 10.742 -2.931 -4.135 1.00 . A A . 31 LEU HD12 1 1 2 945 1 1 32 LEU HD13 H 11.552 -1.527 -3.435 1.00 . A A . 31 LEU HD13 1 1 2 946 1 1 32 LEU HD21 H 10.789 -2.421 -1.207 1.00 . A A . 31 LEU HD21 1 1 2 947 1 1 32 LEU HD22 H 9.839 -3.711 -1.944 1.00 . A A . 31 LEU HD22 1 1 2 948 1 1 32 LEU HD23 H 9.064 -2.545 -0.869 1.00 . A A . 31 LEU HD23 1 1 2 949 1 1 32 LEU HG H 8.609 -2.126 -3.257 1.00 . A A . 31 LEU HG 1 1 2 950 1 1 32 LEU N N 9.963 1.368 -0.682 1.00 . A A . 31 LEU N 1 1 2 951 1 1 32 LEU O O 12.595 0.218 -2.667 1.00 . A A . 31 LEU O 1 1 2 952 1 1 33 ALA C C 13.555 3.046 -3.066 1.00 . A A . 32 ALA C 1 1 2 953 1 1 33 ALA CA C 12.277 2.724 -3.831 1.00 . A A . 32 ALA CA 1 1 2 954 1 1 33 ALA CB C 11.666 3.996 -4.387 1.00 . A A . 32 ALA CB 1 1 2 955 1 1 33 ALA H H 10.455 2.474 -2.792 1.00 . A A . 32 ALA H 1 1 2 956 1 1 33 ALA HA H 12.514 2.072 -4.656 1.00 . A A . 32 ALA HA 1 1 2 957 1 1 33 ALA HB1 H 10.765 3.753 -4.932 1.00 . A A . 32 ALA HB1 1 1 2 958 1 1 33 ALA HB2 H 12.370 4.474 -5.050 1.00 . A A . 32 ALA HB2 1 1 2 959 1 1 33 ALA HB3 H 11.424 4.663 -3.573 1.00 . A A . 32 ALA HB3 1 1 2 960 1 1 33 ALA N N 11.317 2.042 -2.975 1.00 . A A . 32 ALA N 1 1 2 961 1 1 33 ALA O O 14.648 3.059 -3.631 1.00 . A A . 32 ALA O 1 1 2 962 1 1 34 ASP C C 15.310 2.335 -0.566 1.00 . A A . 33 ASP C 1 1 2 963 1 1 34 ASP CA C 14.542 3.609 -0.916 1.00 . A A . 33 ASP CA 1 1 2 964 1 1 34 ASP CB C 14.070 4.316 0.361 1.00 . A A . 33 ASP CB 1 1 2 965 1 1 34 ASP CG C 15.182 4.512 1.370 1.00 . A A . 33 ASP CG 1 1 2 966 1 1 34 ASP H H 12.500 3.321 -1.400 1.00 . A A . 33 ASP H 1 1 2 967 1 1 34 ASP HA H 15.200 4.270 -1.458 1.00 . A A . 33 ASP HA 1 1 2 968 1 1 34 ASP HB2 H 13.674 5.285 0.102 1.00 . A A . 33 ASP HB2 1 1 2 969 1 1 34 ASP HB3 H 13.293 3.727 0.822 1.00 . A A . 33 ASP HB3 1 1 2 970 1 1 34 ASP N N 13.404 3.314 -1.779 1.00 . A A . 33 ASP N 1 1 2 971 1 1 34 ASP O O 16.542 2.319 -0.579 1.00 . A A . 33 ASP O 1 1 2 972 1 1 34 ASP OD1 O 16.014 5.423 1.167 1.00 . A A . 33 ASP OD1 1 1 2 973 1 1 34 ASP OD2 O 15.240 3.748 2.360 1.00 . A A . 33 ASP OD2 1 1 2 974 1 1 35 4PH C33 C 16.131 -5.991 2.302 1.00 . A A . 34 4PH C33 1 1 2 975 1 1 35 4PH H33 H 15.434 -6.444 2.988 1.00 . A A . 34 4PH H33 1 1 2 976 1 1 35 4PH H33A H 16.272 -6.637 1.447 1.00 . A A . 34 4PH H33A 1 1 2 977 1 1 35 4PH H33B H 17.077 -5.841 2.806 1.00 . A A . 34 4PH H33B 1 1 2 978 1 1 36 NH2 HN1 H 14.204 -0.647 -2.144 1.00 . A A . 35 NH2 HN1 1 1 2 979 1 1 36 NH2 HN2 H 15.597 -1.255 -2.969 1.00 . A A . 35 NH2 HN2 1 1 2 980 1 1 36 NH2 N N 15.161 -0.865 -2.184 1.00 . A A . 35 NH2 N 1 1 3 981 1 1 1 ACE C C 13.692 -6.094 4.608 1.00 . A A . 0 ACE C 1 1 3 982 1 1 1 ACE CH3 C 14.649 -4.952 4.416 1.00 . A A . 0 ACE CH3 1 1 3 983 1 1 1 ACE H1 H 14.967 -4.597 5.390 1.00 . A A . 0 ACE H1 1 1 3 984 1 1 1 ACE H2 H 14.158 -4.158 3.887 1.00 . A A . 0 ACE H2 1 1 3 985 1 1 1 ACE H3 H 15.494 -5.304 3.835 1.00 . A A . 0 ACE H3 1 1 3 986 1 1 1 ACE O O 13.164 -6.301 5.702 1.00 . A A . 0 ACE O 1 1 3 987 1 1 2 PRO C C 11.380 -5.833 2.632 1.00 . A A . 1 PRO C 1 1 3 988 1 1 2 PRO CA C 12.781 -6.365 2.334 1.00 . A A . 1 PRO CA 1 1 3 989 1 1 2 PRO CB C 12.705 -7.598 1.423 1.00 . A A . 1 PRO CB 1 1 3 990 1 1 2 PRO CD C 13.792 -8.291 3.435 1.00 . A A . 1 PRO CD 1 1 3 991 1 1 2 PRO CG C 13.721 -8.550 1.955 1.00 . A A . 1 PRO CG 1 1 3 992 1 1 2 PRO HA H 13.364 -5.592 1.857 1.00 . A A . 1 PRO HA 1 1 3 993 1 1 2 PRO HB2 H 11.711 -8.029 1.470 1.00 . A A . 1 PRO HB2 1 1 3 994 1 1 2 PRO HB3 H 12.949 -7.325 0.410 1.00 . A A . 1 PRO HB3 1 1 3 995 1 1 2 PRO HD2 H 13.074 -8.903 3.964 1.00 . A A . 1 PRO HD2 1 1 3 996 1 1 2 PRO HD3 H 14.791 -8.470 3.804 1.00 . A A . 1 PRO HD3 1 1 3 997 1 1 2 PRO HG2 H 13.405 -9.567 1.759 1.00 . A A . 1 PRO HG2 1 1 3 998 1 1 2 PRO HG3 H 14.681 -8.355 1.500 1.00 . A A . 1 PRO HG3 1 1 3 999 1 1 2 PRO N N 13.443 -6.867 3.544 1.00 . A A . 1 PRO N 1 1 3 1000 1 1 2 PRO O O 10.652 -6.413 3.441 1.00 . A A . 1 PRO O 1 1 3 1001 1 1 3 PRO C C 8.522 -4.977 1.761 1.00 . A A . 2 PRO C 1 1 3 1002 1 1 3 PRO CA C 9.683 -4.098 2.224 1.00 . A A . 2 PRO CA 1 1 3 1003 1 1 3 PRO CB C 9.740 -2.802 1.404 1.00 . A A . 2 PRO CB 1 1 3 1004 1 1 3 PRO CD C 11.784 -3.999 0.981 1.00 . A A . 2 PRO CD 1 1 3 1005 1 1 3 PRO CG C 10.820 -2.999 0.398 1.00 . A A . 2 PRO CG 1 1 3 1006 1 1 3 PRO HA H 9.555 -3.859 3.271 1.00 . A A . 2 PRO HA 1 1 3 1007 1 1 3 PRO HB2 H 8.786 -2.635 0.914 1.00 . A A . 2 PRO HB2 1 1 3 1008 1 1 3 PRO HB3 H 9.982 -1.968 2.044 1.00 . A A . 2 PRO HB3 1 1 3 1009 1 1 3 PRO HD2 H 12.136 -4.674 0.214 1.00 . A A . 2 PRO HD2 1 1 3 1010 1 1 3 PRO HD3 H 12.618 -3.493 1.445 1.00 . A A . 2 PRO HD3 1 1 3 1011 1 1 3 PRO HG2 H 10.396 -3.373 -0.524 1.00 . A A . 2 PRO HG2 1 1 3 1012 1 1 3 PRO HG3 H 11.326 -2.063 0.223 1.00 . A A . 2 PRO HG3 1 1 3 1013 1 1 3 PRO N N 10.987 -4.724 1.986 1.00 . A A . 2 PRO N 1 1 3 1014 1 1 3 PRO O O 8.506 -5.458 0.625 1.00 . A A . 2 PRO O 1 1 3 1015 1 1 4 THR C C 5.315 -5.141 1.675 1.00 . A A . 3 THR C 1 1 3 1016 1 1 4 THR CA C 6.393 -5.995 2.329 1.00 . A A . 3 THR CA 1 1 3 1017 1 1 4 THR CB C 5.819 -6.654 3.597 1.00 . A A . 3 THR CB 1 1 3 1018 1 1 4 THR CG2 C 6.731 -7.764 4.092 1.00 . A A . 3 THR CG2 1 1 3 1019 1 1 4 THR H H 7.642 -4.809 3.545 1.00 . A A . 3 THR H 1 1 3 1020 1 1 4 THR HA H 6.693 -6.775 1.643 1.00 . A A . 3 THR HA 1 1 3 1021 1 1 4 THR HB H 4.856 -7.079 3.361 1.00 . A A . 3 THR HB 1 1 3 1022 1 1 4 THR HG1 H 5.433 -4.817 4.218 1.00 . A A . 3 THR HG1 1 1 3 1023 1 1 4 THR HG21 H 6.865 -8.495 3.309 1.00 . A A . 3 THR HG21 1 1 3 1024 1 1 4 THR HG22 H 6.285 -8.236 4.955 1.00 . A A . 3 THR HG22 1 1 3 1025 1 1 4 THR HG23 H 7.690 -7.349 4.365 1.00 . A A . 3 THR HG23 1 1 3 1026 1 1 4 THR N N 7.563 -5.195 2.647 1.00 . A A . 3 THR N 1 1 3 1027 1 1 4 THR O O 4.879 -4.139 2.245 1.00 . A A . 3 THR O 1 1 3 1028 1 1 4 THR OG1 O 5.655 -5.665 4.626 1.00 . A A . 3 THR OG1 1 1 3 1029 1 1 5 LYS C C 2.509 -4.995 0.506 1.00 . A A . 4 LYS C 1 1 3 1030 1 1 5 LYS CA C 3.841 -4.812 -0.226 1.00 . A A . 4 LYS CA 1 1 3 1031 1 1 5 LYS CB C 3.707 -5.295 -1.681 1.00 . A A . 4 LYS CB 1 1 3 1032 1 1 5 LYS CD C 3.015 -7.132 -3.260 1.00 . A A . 4 LYS CD 1 1 3 1033 1 1 5 LYS CE C 1.956 -6.315 -3.986 1.00 . A A . 4 LYS CE 1 1 3 1034 1 1 5 LYS CG C 3.162 -6.705 -1.808 1.00 . A A . 4 LYS CG 1 1 3 1035 1 1 5 LYS H H 5.337 -6.293 0.042 1.00 . A A . 4 LYS H 1 1 3 1036 1 1 5 LYS HA H 4.096 -3.764 -0.221 1.00 . A A . 4 LYS HA 1 1 3 1037 1 1 5 LYS HB2 H 3.043 -4.628 -2.211 1.00 . A A . 4 LYS HB2 1 1 3 1038 1 1 5 LYS HB3 H 4.679 -5.267 -2.151 1.00 . A A . 4 LYS HB3 1 1 3 1039 1 1 5 LYS HD2 H 3.961 -6.999 -3.760 1.00 . A A . 4 LYS HD2 1 1 3 1040 1 1 5 LYS HD3 H 2.735 -8.174 -3.290 1.00 . A A . 4 LYS HD3 1 1 3 1041 1 1 5 LYS HE2 H 1.034 -6.367 -3.429 1.00 . A A . 4 LYS HE2 1 1 3 1042 1 1 5 LYS HE3 H 2.287 -5.287 -4.039 1.00 . A A . 4 LYS HE3 1 1 3 1043 1 1 5 LYS HG2 H 3.837 -7.382 -1.313 1.00 . A A . 4 LYS HG2 1 1 3 1044 1 1 5 LYS HG3 H 2.193 -6.743 -1.330 1.00 . A A . 4 LYS HG3 1 1 3 1045 1 1 5 LYS HZ1 H 1.391 -7.805 -5.335 1.00 . A A . 4 LYS HZ1 1 1 3 1046 1 1 5 LYS HZ2 H 2.593 -6.770 -5.925 1.00 . A A . 4 LYS HZ2 1 1 3 1047 1 1 5 LYS HZ3 H 0.990 -6.241 -5.834 1.00 . A A . 4 LYS HZ3 1 1 3 1048 1 1 5 LYS N N 4.905 -5.524 0.472 1.00 . A A . 4 LYS N 1 1 3 1049 1 1 5 LYS NZ N 1.717 -6.816 -5.366 1.00 . A A . 4 LYS NZ 1 1 3 1050 1 1 5 LYS O O 2.255 -6.050 1.096 1.00 . A A . 4 LYS O 1 1 3 1051 1 1 6 PRO C C -0.585 -5.044 0.436 1.00 . A A . 5 PRO C 1 1 3 1052 1 1 6 PRO CA C 0.328 -4.024 1.119 1.00 . A A . 5 PRO CA 1 1 3 1053 1 1 6 PRO CB C -0.220 -2.605 0.943 1.00 . A A . 5 PRO CB 1 1 3 1054 1 1 6 PRO CD C 1.927 -2.637 -0.096 1.00 . A A . 5 PRO CD 1 1 3 1055 1 1 6 PRO CG C 0.572 -2.001 -0.160 1.00 . A A . 5 PRO CG 1 1 3 1056 1 1 6 PRO HA H 0.395 -4.257 2.169 1.00 . A A . 5 PRO HA 1 1 3 1057 1 1 6 PRO HB2 H -1.265 -2.647 0.685 1.00 . A A . 5 PRO HB2 1 1 3 1058 1 1 6 PRO HB3 H -0.081 -2.039 1.848 1.00 . A A . 5 PRO HB3 1 1 3 1059 1 1 6 PRO HD2 H 2.340 -2.737 -1.091 1.00 . A A . 5 PRO HD2 1 1 3 1060 1 1 6 PRO HD3 H 2.589 -2.059 0.535 1.00 . A A . 5 PRO HD3 1 1 3 1061 1 1 6 PRO HG2 H 0.100 -2.212 -1.111 1.00 . A A . 5 PRO HG2 1 1 3 1062 1 1 6 PRO HG3 H 0.656 -0.937 -0.010 1.00 . A A . 5 PRO HG3 1 1 3 1063 1 1 6 PRO N N 1.656 -3.959 0.499 1.00 . A A . 5 PRO N 1 1 3 1064 1 1 6 PRO O O -0.383 -5.391 -0.729 1.00 . A A . 5 PRO O 1 1 3 1065 1 1 7 THR C C -3.687 -5.902 -0.065 1.00 . A A . 6 THR C 1 1 3 1066 1 1 7 THR CA C -2.490 -6.538 0.654 1.00 . A A . 6 THR CA 1 1 3 1067 1 1 7 THR CB C -2.977 -7.480 1.784 1.00 . A A . 6 THR CB 1 1 3 1068 1 1 7 THR CG2 C -3.857 -6.745 2.785 1.00 . A A . 6 THR CG2 1 1 3 1069 1 1 7 THR H H -1.708 -5.187 2.081 1.00 . A A . 6 THR H 1 1 3 1070 1 1 7 THR HA H -1.940 -7.133 -0.062 1.00 . A A . 6 THR HA 1 1 3 1071 1 1 7 THR HB H -2.112 -7.861 2.305 1.00 . A A . 6 THR HB 1 1 3 1072 1 1 7 THR HG1 H -4.652 -8.413 1.317 1.00 . A A . 6 THR HG1 1 1 3 1073 1 1 7 THR HG21 H -4.181 -7.432 3.551 1.00 . A A . 6 THR HG21 1 1 3 1074 1 1 7 THR HG22 H -4.718 -6.339 2.277 1.00 . A A . 6 THR HG22 1 1 3 1075 1 1 7 THR HG23 H -3.294 -5.942 3.237 1.00 . A A . 6 THR HG23 1 1 3 1076 1 1 7 THR N N -1.581 -5.523 1.168 1.00 . A A . 6 THR N 1 1 3 1077 1 1 7 THR O O -4.282 -4.935 0.420 1.00 . A A . 6 THR O 1 1 3 1078 1 1 7 THR OG1 O -3.705 -8.583 1.235 1.00 . A A . 6 THR OG1 1 1 3 1079 1 1 8 LYS C C -6.467 -6.115 -1.414 1.00 . A A . 7 LYS C 1 1 3 1080 1 1 8 LYS CA C -5.100 -5.939 -2.072 1.00 . A A . 7 LYS CA 1 1 3 1081 1 1 8 LYS CB C -5.098 -6.654 -3.426 1.00 . A A . 7 LYS CB 1 1 3 1082 1 1 8 LYS CD C -3.760 -4.966 -4.762 1.00 . A A . 7 LYS CD 1 1 3 1083 1 1 8 LYS CE C -4.941 -4.598 -5.647 1.00 . A A . 7 LYS CE 1 1 3 1084 1 1 8 LYS CG C -3.850 -6.405 -4.263 1.00 . A A . 7 LYS CG 1 1 3 1085 1 1 8 LYS H H -3.499 -7.226 -1.548 1.00 . A A . 7 LYS H 1 1 3 1086 1 1 8 LYS HA H -4.930 -4.891 -2.235 1.00 . A A . 7 LYS HA 1 1 3 1087 1 1 8 LYS HB2 H -5.179 -7.718 -3.254 1.00 . A A . 7 LYS HB2 1 1 3 1088 1 1 8 LYS HB3 H -5.956 -6.327 -3.992 1.00 . A A . 7 LYS HB3 1 1 3 1089 1 1 8 LYS HD2 H -3.739 -4.298 -3.914 1.00 . A A . 7 LYS HD2 1 1 3 1090 1 1 8 LYS HD3 H -2.848 -4.854 -5.332 1.00 . A A . 7 LYS HD3 1 1 3 1091 1 1 8 LYS HE2 H -5.847 -4.663 -5.066 1.00 . A A . 7 LYS HE2 1 1 3 1092 1 1 8 LYS HE3 H -4.809 -3.583 -5.991 1.00 . A A . 7 LYS HE3 1 1 3 1093 1 1 8 LYS HG2 H -2.979 -6.617 -3.661 1.00 . A A . 7 LYS HG2 1 1 3 1094 1 1 8 LYS HG3 H -3.865 -7.070 -5.115 1.00 . A A . 7 LYS HG3 1 1 3 1095 1 1 8 LYS HZ1 H -4.212 -5.408 -7.425 1.00 . A A . 7 LYS HZ1 1 1 3 1096 1 1 8 LYS HZ2 H -5.890 -5.243 -7.387 1.00 . A A . 7 LYS HZ2 1 1 3 1097 1 1 8 LYS HZ3 H -5.145 -6.484 -6.517 1.00 . A A . 7 LYS HZ3 1 1 3 1098 1 1 8 LYS N N -4.013 -6.450 -1.233 1.00 . A A . 7 LYS N 1 1 3 1099 1 1 8 LYS NZ N -5.055 -5.497 -6.824 1.00 . A A . 7 LYS NZ 1 1 3 1100 1 1 8 LYS O O -6.851 -7.229 -1.051 1.00 . A A . 7 LYS O 1 1 3 1101 1 1 9 PRO C C -9.542 -5.636 -1.809 1.00 . A A . 8 PRO C 1 1 3 1102 1 1 9 PRO CA C -8.593 -5.059 -0.761 1.00 . A A . 8 PRO CA 1 1 3 1103 1 1 9 PRO CB C -8.941 -3.586 -0.496 1.00 . A A . 8 PRO CB 1 1 3 1104 1 1 9 PRO CD C -6.770 -3.633 -1.488 1.00 . A A . 8 PRO CD 1 1 3 1105 1 1 9 PRO CG C -7.655 -2.836 -0.575 1.00 . A A . 8 PRO CG 1 1 3 1106 1 1 9 PRO HA H -8.677 -5.627 0.153 1.00 . A A . 8 PRO HA 1 1 3 1107 1 1 9 PRO HB2 H -9.635 -3.235 -1.250 1.00 . A A . 8 PRO HB2 1 1 3 1108 1 1 9 PRO HB3 H -9.376 -3.481 0.486 1.00 . A A . 8 PRO HB3 1 1 3 1109 1 1 9 PRO HD2 H -6.932 -3.350 -2.520 1.00 . A A . 8 PRO HD2 1 1 3 1110 1 1 9 PRO HD3 H -5.731 -3.504 -1.213 1.00 . A A . 8 PRO HD3 1 1 3 1111 1 1 9 PRO HG2 H -7.834 -1.849 -0.983 1.00 . A A . 8 PRO HG2 1 1 3 1112 1 1 9 PRO HG3 H -7.207 -2.762 0.404 1.00 . A A . 8 PRO HG3 1 1 3 1113 1 1 9 PRO N N -7.213 -5.014 -1.245 1.00 . A A . 8 PRO N 1 1 3 1114 1 1 9 PRO O O -9.493 -5.253 -2.979 1.00 . A A . 8 PRO O 1 1 3 1115 1 1 10 GLY C C -12.732 -6.524 -2.130 1.00 . A A . 9 GLY C 1 1 3 1116 1 1 10 GLY CA C -11.358 -7.128 -2.317 1.00 . A A . 9 GLY CA 1 1 3 1117 1 1 10 GLY H H -10.357 -6.873 -0.467 1.00 . A A . 9 GLY H 1 1 3 1118 1 1 10 GLY HA2 H -11.029 -6.944 -3.328 1.00 . A A . 9 GLY HA2 1 1 3 1119 1 1 10 GLY HA3 H -11.419 -8.192 -2.157 1.00 . A A . 9 GLY HA3 1 1 3 1120 1 1 10 GLY N N -10.389 -6.566 -1.398 1.00 . A A . 9 GLY N 1 1 3 1121 1 1 10 GLY O O -13.199 -5.740 -2.955 1.00 . A A . 9 GLY O 1 1 3 1122 1 1 11 ASP C C -14.540 -5.021 0.040 1.00 . A A . 10 ASP C 1 1 3 1123 1 1 11 ASP CA C -14.684 -6.343 -0.695 1.00 . A A . 10 ASP CA 1 1 3 1124 1 1 11 ASP CB C -15.476 -7.332 0.166 1.00 . A A . 10 ASP CB 1 1 3 1125 1 1 11 ASP CG C -15.781 -8.628 -0.555 1.00 . A A . 10 ASP CG 1 1 3 1126 1 1 11 ASP H H -12.940 -7.504 -0.408 1.00 . A A . 10 ASP H 1 1 3 1127 1 1 11 ASP HA H -15.216 -6.173 -1.620 1.00 . A A . 10 ASP HA 1 1 3 1128 1 1 11 ASP HB2 H -14.906 -7.564 1.053 1.00 . A A . 10 ASP HB2 1 1 3 1129 1 1 11 ASP HB3 H -16.410 -6.875 0.454 1.00 . A A . 10 ASP HB3 1 1 3 1130 1 1 11 ASP N N -13.368 -6.871 -1.023 1.00 . A A . 10 ASP N 1 1 3 1131 1 1 11 ASP O O -15.401 -4.148 -0.049 1.00 . A A . 10 ASP O 1 1 3 1132 1 1 11 ASP OD1 O -16.832 -8.704 -1.229 1.00 . A A . 10 ASP OD1 1 1 3 1133 1 1 11 ASP OD2 O -14.971 -9.577 -0.458 1.00 . A A . 10 ASP OD2 1 1 3 1134 1 1 12 ASN C C -12.508 -2.598 0.594 1.00 . A A . 11 ASN C 1 1 3 1135 1 1 12 ASN CA C -13.151 -3.648 1.497 1.00 . A A . 11 ASN CA 1 1 3 1136 1 1 12 ASN CB C -12.257 -3.932 2.715 1.00 . A A . 11 ASN CB 1 1 3 1137 1 1 12 ASN CG C -10.798 -4.173 2.359 1.00 . A A . 11 ASN CG 1 1 3 1138 1 1 12 ASN H H -12.779 -5.610 0.782 1.00 . A A . 11 ASN H 1 1 3 1139 1 1 12 ASN HA H -14.098 -3.264 1.843 1.00 . A A . 11 ASN HA 1 1 3 1140 1 1 12 ASN HB2 H -12.304 -3.088 3.384 1.00 . A A . 11 ASN HB2 1 1 3 1141 1 1 12 ASN HB3 H -12.630 -4.807 3.226 1.00 . A A . 11 ASN HB3 1 1 3 1142 1 1 12 ASN HD21 H -10.362 -2.269 2.722 1.00 . A A . 11 ASN HD21 1 1 3 1143 1 1 12 ASN HD22 H -9.038 -3.260 2.239 1.00 . A A . 11 ASN HD22 1 1 3 1144 1 1 12 ASN N N -13.426 -4.872 0.749 1.00 . A A . 11 ASN N 1 1 3 1145 1 1 12 ASN ND2 N -9.986 -3.130 2.445 1.00 . A A . 11 ASN ND2 1 1 3 1146 1 1 12 ASN O O -12.057 -1.555 1.062 1.00 . A A . 11 ASN O 1 1 3 1147 1 1 12 ASN OD1 O -10.401 -5.291 2.028 1.00 . A A . 11 ASN OD1 1 1 3 1148 1 1 13 ALA C C -12.847 -0.818 -2.010 1.00 . A A . 12 ALA C 1 1 3 1149 1 1 13 ALA CA C -11.909 -1.978 -1.698 1.00 . A A . 12 ALA CA 1 1 3 1150 1 1 13 ALA CB C -11.581 -2.740 -2.974 1.00 . A A . 12 ALA CB 1 1 3 1151 1 1 13 ALA H H -12.878 -3.722 -1.011 1.00 . A A . 12 ALA H 1 1 3 1152 1 1 13 ALA HA H -10.990 -1.586 -1.296 1.00 . A A . 12 ALA HA 1 1 3 1153 1 1 13 ALA HB1 H -12.497 -3.074 -3.437 1.00 . A A . 12 ALA HB1 1 1 3 1154 1 1 13 ALA HB2 H -10.967 -3.596 -2.733 1.00 . A A . 12 ALA HB2 1 1 3 1155 1 1 13 ALA HB3 H -11.049 -2.091 -3.654 1.00 . A A . 12 ALA HB3 1 1 3 1156 1 1 13 ALA N N -12.487 -2.882 -0.707 1.00 . A A . 12 ALA N 1 1 3 1157 1 1 13 ALA O O -12.769 -0.211 -3.077 1.00 . A A . 12 ALA O 1 1 3 1158 1 1 14 THR C C -13.878 1.902 -1.288 1.00 . A A . 13 THR C 1 1 3 1159 1 1 14 THR CA C -14.648 0.593 -1.209 1.00 . A A . 13 THR CA 1 1 3 1160 1 1 14 THR CB C -15.626 0.641 -0.023 1.00 . A A . 13 THR CB 1 1 3 1161 1 1 14 THR CG2 C -16.628 -0.501 -0.100 1.00 . A A . 13 THR CG2 1 1 3 1162 1 1 14 THR H H -13.725 -1.028 -0.238 1.00 . A A . 13 THR H 1 1 3 1163 1 1 14 THR HA H -15.214 0.457 -2.117 1.00 . A A . 13 THR HA 1 1 3 1164 1 1 14 THR HB H -16.167 1.574 -0.058 1.00 . A A . 13 THR HB 1 1 3 1165 1 1 14 THR HG1 H -15.518 0.455 1.941 1.00 . A A . 13 THR HG1 1 1 3 1166 1 1 14 THR HG21 H -16.106 -1.444 -0.034 1.00 . A A . 13 THR HG21 1 1 3 1167 1 1 14 THR HG22 H -17.157 -0.448 -1.038 1.00 . A A . 13 THR HG22 1 1 3 1168 1 1 14 THR HG23 H -17.331 -0.420 0.714 1.00 . A A . 13 THR HG23 1 1 3 1169 1 1 14 THR N N -13.723 -0.513 -1.069 1.00 . A A . 13 THR N 1 1 3 1170 1 1 14 THR O O -12.855 2.053 -0.622 1.00 . A A . 13 THR O 1 1 3 1171 1 1 14 THR OG1 O -14.898 0.564 1.210 1.00 . A A . 13 THR OG1 1 1 3 1172 1 1 15 PRO C C -13.303 4.829 -0.958 1.00 . A A . 14 PRO C 1 1 3 1173 1 1 15 PRO CA C -13.684 4.162 -2.284 1.00 . A A . 14 PRO CA 1 1 3 1174 1 1 15 PRO CB C -14.741 4.994 -3.011 1.00 . A A . 14 PRO CB 1 1 3 1175 1 1 15 PRO CD C -15.554 2.734 -2.951 1.00 . A A . 14 PRO CD 1 1 3 1176 1 1 15 PRO CG C -15.572 4.011 -3.756 1.00 . A A . 14 PRO CG 1 1 3 1177 1 1 15 PRO HA H -12.804 4.073 -2.903 1.00 . A A . 14 PRO HA 1 1 3 1178 1 1 15 PRO HB2 H -15.337 5.537 -2.291 1.00 . A A . 14 PRO HB2 1 1 3 1179 1 1 15 PRO HB3 H -14.271 5.678 -3.699 1.00 . A A . 14 PRO HB3 1 1 3 1180 1 1 15 PRO HD2 H -16.444 2.655 -2.343 1.00 . A A . 14 PRO HD2 1 1 3 1181 1 1 15 PRO HD3 H -15.473 1.878 -3.607 1.00 . A A . 14 PRO HD3 1 1 3 1182 1 1 15 PRO HG2 H -16.585 4.390 -3.846 1.00 . A A . 14 PRO HG2 1 1 3 1183 1 1 15 PRO HG3 H -15.146 3.838 -4.735 1.00 . A A . 14 PRO HG3 1 1 3 1184 1 1 15 PRO N N -14.348 2.859 -2.107 1.00 . A A . 14 PRO N 1 1 3 1185 1 1 15 PRO O O -12.362 5.619 -0.898 1.00 . A A . 14 PRO O 1 1 3 1186 1 1 16 GLU C C -12.504 4.536 2.033 1.00 . A A . 15 GLU C 1 1 3 1187 1 1 16 GLU CA C -13.816 5.040 1.427 1.00 . A A . 15 GLU CA 1 1 3 1188 1 1 16 GLU CB C -14.987 4.653 2.327 1.00 . A A . 15 GLU CB 1 1 3 1189 1 1 16 GLU CD C -17.491 4.406 2.474 1.00 . A A . 15 GLU CD 1 1 3 1190 1 1 16 GLU CG C -16.332 5.087 1.781 1.00 . A A . 15 GLU CG 1 1 3 1191 1 1 16 GLU H H -14.743 3.820 -0.023 1.00 . A A . 15 GLU H 1 1 3 1192 1 1 16 GLU HA H -13.776 6.114 1.339 1.00 . A A . 15 GLU HA 1 1 3 1193 1 1 16 GLU HB2 H -15.001 3.582 2.440 1.00 . A A . 15 GLU HB2 1 1 3 1194 1 1 16 GLU HB3 H -14.851 5.110 3.296 1.00 . A A . 15 GLU HB3 1 1 3 1195 1 1 16 GLU HG2 H -16.434 6.155 1.909 1.00 . A A . 15 GLU HG2 1 1 3 1196 1 1 16 GLU HG3 H -16.369 4.846 0.731 1.00 . A A . 15 GLU HG3 1 1 3 1197 1 1 16 GLU N N -14.034 4.483 0.098 1.00 . A A . 15 GLU N 1 1 3 1198 1 1 16 GLU O O -11.690 5.322 2.520 1.00 . A A . 15 GLU O 1 1 3 1199 1 1 16 GLU OE1 O -17.896 3.318 2.023 1.00 . A A . 15 GLU OE1 1 1 3 1200 1 1 16 GLU OE2 O -18.008 4.959 3.465 1.00 . A A . 15 GLU OE2 1 1 3 1201 1 1 17 LYS C C -9.992 2.555 1.552 1.00 . A A . 16 LYS C 1 1 3 1202 1 1 17 LYS CA C -11.116 2.614 2.581 1.00 . A A . 16 LYS CA 1 1 3 1203 1 1 17 LYS CB C -11.437 1.204 3.100 1.00 . A A . 16 LYS CB 1 1 3 1204 1 1 17 LYS CD C -9.884 1.214 5.080 1.00 . A A . 16 LYS CD 1 1 3 1205 1 1 17 LYS CE C -8.553 0.716 5.625 1.00 . A A . 16 LYS CE 1 1 3 1206 1 1 17 LYS CG C -10.258 0.520 3.780 1.00 . A A . 16 LYS CG 1 1 3 1207 1 1 17 LYS H H -12.963 2.653 1.552 1.00 . A A . 16 LYS H 1 1 3 1208 1 1 17 LYS HA H -10.800 3.232 3.406 1.00 . A A . 16 LYS HA 1 1 3 1209 1 1 17 LYS HB2 H -12.245 1.270 3.814 1.00 . A A . 16 LYS HB2 1 1 3 1210 1 1 17 LYS HB3 H -11.750 0.587 2.266 1.00 . A A . 16 LYS HB3 1 1 3 1211 1 1 17 LYS HD2 H -9.810 2.276 4.902 1.00 . A A . 16 LYS HD2 1 1 3 1212 1 1 17 LYS HD3 H -10.654 1.025 5.813 1.00 . A A . 16 LYS HD3 1 1 3 1213 1 1 17 LYS HE2 H -7.779 0.959 4.915 1.00 . A A . 16 LYS HE2 1 1 3 1214 1 1 17 LYS HE3 H -8.353 1.221 6.558 1.00 . A A . 16 LYS HE3 1 1 3 1215 1 1 17 LYS HG2 H -10.524 -0.504 3.995 1.00 . A A . 16 LYS HG2 1 1 3 1216 1 1 17 LYS HG3 H -9.409 0.540 3.113 1.00 . A A . 16 LYS HG3 1 1 3 1217 1 1 17 LYS HZ1 H -8.639 -1.265 4.958 1.00 . A A . 16 LYS HZ1 1 1 3 1218 1 1 17 LYS HZ2 H -9.336 -1.022 6.477 1.00 . A A . 16 LYS HZ2 1 1 3 1219 1 1 17 LYS HZ3 H -7.656 -1.037 6.314 1.00 . A A . 16 LYS HZ3 1 1 3 1220 1 1 17 LYS N N -12.303 3.224 1.995 1.00 . A A . 16 LYS N 1 1 3 1221 1 1 17 LYS NZ N -8.546 -0.753 5.859 1.00 . A A . 16 LYS NZ 1 1 3 1222 1 1 17 LYS O O -8.811 2.594 1.899 1.00 . A A . 16 LYS O 1 1 3 1223 1 1 18 LEU C C -8.551 3.661 -0.839 1.00 . A A . 17 LEU C 1 1 3 1224 1 1 18 LEU CA C -9.424 2.411 -0.814 1.00 . A A . 17 LEU CA 1 1 3 1225 1 1 18 LEU CB C -10.176 2.254 -2.138 1.00 . A A . 17 LEU CB 1 1 3 1226 1 1 18 LEU CD1 C -8.519 0.686 -3.169 1.00 . A A . 17 LEU CD1 1 1 3 1227 1 1 18 LEU CD2 C -10.213 1.829 -4.588 1.00 . A A . 17 LEU CD2 1 1 3 1228 1 1 18 LEU CG C -9.321 1.960 -3.369 1.00 . A A . 17 LEU CG 1 1 3 1229 1 1 18 LEU H H -11.337 2.475 0.078 1.00 . A A . 17 LEU H 1 1 3 1230 1 1 18 LEU HA H -8.802 1.547 -0.658 1.00 . A A . 17 LEU HA 1 1 3 1231 1 1 18 LEU HB2 H -10.885 1.448 -2.028 1.00 . A A . 17 LEU HB2 1 1 3 1232 1 1 18 LEU HB3 H -10.721 3.166 -2.321 1.00 . A A . 17 LEU HB3 1 1 3 1233 1 1 18 LEU HD11 H -7.886 0.792 -2.304 1.00 . A A . 17 LEU HD11 1 1 3 1234 1 1 18 LEU HD12 H -7.910 0.502 -4.042 1.00 . A A . 17 LEU HD12 1 1 3 1235 1 1 18 LEU HD13 H -9.196 -0.142 -3.021 1.00 . A A . 17 LEU HD13 1 1 3 1236 1 1 18 LEU HD21 H -10.731 2.762 -4.756 1.00 . A A . 17 LEU HD21 1 1 3 1237 1 1 18 LEU HD22 H -10.934 1.042 -4.416 1.00 . A A . 17 LEU HD22 1 1 3 1238 1 1 18 LEU HD23 H -9.613 1.587 -5.452 1.00 . A A . 17 LEU HD23 1 1 3 1239 1 1 18 LEU HG H -8.632 2.775 -3.535 1.00 . A A . 17 LEU HG 1 1 3 1240 1 1 18 LEU N N -10.376 2.484 0.284 1.00 . A A . 17 LEU N 1 1 3 1241 1 1 18 LEU O O -7.373 3.605 -1.191 1.00 . A A . 17 LEU O 1 1 3 1242 1 1 19 ALA C C -7.309 5.991 0.659 1.00 . A A . 18 ALA C 1 1 3 1243 1 1 19 ALA CA C -8.432 6.049 -0.369 1.00 . A A . 18 ALA CA 1 1 3 1244 1 1 19 ALA CB C -9.405 7.167 -0.037 1.00 . A A . 18 ALA CB 1 1 3 1245 1 1 19 ALA H H -10.081 4.750 -0.172 1.00 . A A . 18 ALA H 1 1 3 1246 1 1 19 ALA HA H -8.009 6.244 -1.342 1.00 . A A . 18 ALA HA 1 1 3 1247 1 1 19 ALA HB1 H -10.184 7.196 -0.783 1.00 . A A . 18 ALA HB1 1 1 3 1248 1 1 19 ALA HB2 H -8.880 8.110 -0.027 1.00 . A A . 18 ALA HB2 1 1 3 1249 1 1 19 ALA HB3 H -9.842 6.985 0.933 1.00 . A A . 18 ALA HB3 1 1 3 1250 1 1 19 ALA N N -9.139 4.780 -0.432 1.00 . A A . 18 ALA N 1 1 3 1251 1 1 19 ALA O O -6.213 6.507 0.430 1.00 . A A . 18 ALA O 1 1 3 1252 1 1 20 LYS C C -5.543 4.150 2.364 1.00 . A A . 19 LYS C 1 1 3 1253 1 1 20 LYS CA C -6.579 5.167 2.824 1.00 . A A . 19 LYS CA 1 1 3 1254 1 1 20 LYS CB C -7.218 4.703 4.135 1.00 . A A . 19 LYS CB 1 1 3 1255 1 1 20 LYS CD C -6.867 3.999 6.528 1.00 . A A . 19 LYS CD 1 1 3 1256 1 1 20 LYS CE C -5.846 3.762 7.632 1.00 . A A . 19 LYS CE 1 1 3 1257 1 1 20 LYS CG C -6.207 4.498 5.253 1.00 . A A . 19 LYS CG 1 1 3 1258 1 1 20 LYS H H -8.493 5.015 1.938 1.00 . A A . 19 LYS H 1 1 3 1259 1 1 20 LYS HA H -6.089 6.114 2.986 1.00 . A A . 19 LYS HA 1 1 3 1260 1 1 20 LYS HB2 H -7.936 5.443 4.455 1.00 . A A . 19 LYS HB2 1 1 3 1261 1 1 20 LYS HB3 H -7.728 3.767 3.965 1.00 . A A . 19 LYS HB3 1 1 3 1262 1 1 20 LYS HD2 H -7.580 4.738 6.864 1.00 . A A . 19 LYS HD2 1 1 3 1263 1 1 20 LYS HD3 H -7.379 3.072 6.318 1.00 . A A . 19 LYS HD3 1 1 3 1264 1 1 20 LYS HE2 H -6.351 3.343 8.488 1.00 . A A . 19 LYS HE2 1 1 3 1265 1 1 20 LYS HE3 H -5.107 3.060 7.274 1.00 . A A . 19 LYS HE3 1 1 3 1266 1 1 20 LYS HG2 H -5.476 3.769 4.932 1.00 . A A . 19 LYS HG2 1 1 3 1267 1 1 20 LYS HG3 H -5.713 5.437 5.457 1.00 . A A . 19 LYS HG3 1 1 3 1268 1 1 20 LYS HZ1 H -4.638 5.420 7.239 1.00 . A A . 19 LYS HZ1 1 1 3 1269 1 1 20 LYS HZ2 H -4.494 4.825 8.815 1.00 . A A . 19 LYS HZ2 1 1 3 1270 1 1 20 LYS HZ3 H -5.861 5.714 8.370 1.00 . A A . 19 LYS HZ3 1 1 3 1271 1 1 20 LYS N N -7.588 5.358 1.793 1.00 . A A . 19 LYS N 1 1 3 1272 1 1 20 LYS NZ N -5.162 5.017 8.042 1.00 . A A . 19 LYS NZ 1 1 3 1273 1 1 20 LYS O O -4.357 4.277 2.655 1.00 . A A . 19 LYS O 1 1 3 1274 1 1 21 4PH C33 C -2.708 -3.028 -1.846 1.00 . A A . 20 4PH C33 1 1 3 1275 1 1 21 4PH H33 H -3.255 -3.946 -1.961 1.00 . A A . 20 4PH H33 1 1 3 1276 1 1 21 4PH H33A H -2.352 -2.692 -2.807 1.00 . A A . 20 4PH H33A 1 1 3 1277 1 1 21 4PH H33B H -1.869 -3.198 -1.185 1.00 . A A . 20 4PH H33B 1 1 3 1278 1 1 22 GLN C C -2.595 5.161 -0.852 1.00 . A A . 21 GLN C 1 1 3 1279 1 1 22 GLN CA C -3.697 4.413 -1.604 1.00 . A A . 21 GLN CA 1 1 3 1280 1 1 22 GLN CB C -4.496 5.392 -2.466 1.00 . A A . 21 GLN CB 1 1 3 1281 1 1 22 GLN CD C -4.864 3.679 -4.289 1.00 . A A . 21 GLN CD 1 1 3 1282 1 1 22 GLN CG C -5.500 4.716 -3.384 1.00 . A A . 21 GLN CG 1 1 3 1283 1 1 22 GLN H H -5.535 3.924 -0.657 1.00 . A A . 21 GLN H 1 1 3 1284 1 1 22 GLN HA H -3.239 3.678 -2.248 1.00 . A A . 21 GLN HA 1 1 3 1285 1 1 22 GLN HB2 H -5.031 6.070 -1.819 1.00 . A A . 21 GLN HB2 1 1 3 1286 1 1 22 GLN HB3 H -3.807 5.960 -3.077 1.00 . A A . 21 GLN HB3 1 1 3 1287 1 1 22 GLN HE21 H -5.254 2.248 -2.972 1.00 . A A . 21 GLN HE21 1 1 3 1288 1 1 22 GLN HE22 H -4.457 1.740 -4.414 1.00 . A A . 21 GLN HE22 1 1 3 1289 1 1 22 GLN HG2 H -6.248 4.229 -2.777 1.00 . A A . 21 GLN HG2 1 1 3 1290 1 1 22 GLN HG3 H -5.971 5.471 -3.998 1.00 . A A . 21 GLN HG3 1 1 3 1291 1 1 22 GLN N N -4.576 3.701 -0.677 1.00 . A A . 21 GLN N 1 1 3 1292 1 1 22 GLN NE2 N -4.856 2.432 -3.846 1.00 . A A . 21 GLN NE2 1 1 3 1293 1 1 22 GLN O O -1.518 5.410 -1.394 1.00 . A A . 21 GLN O 1 1 3 1294 1 1 22 GLN OE1 O -4.396 3.993 -5.383 1.00 . A A . 21 GLN OE1 1 1 3 1295 1 1 23 ALA C C -0.803 5.183 1.650 1.00 . A A . 22 ALA C 1 1 3 1296 1 1 23 ALA CA C -1.891 6.169 1.244 1.00 . A A . 22 ALA CA 1 1 3 1297 1 1 23 ALA CB C -2.570 6.746 2.472 1.00 . A A . 22 ALA CB 1 1 3 1298 1 1 23 ALA H H -3.758 5.316 0.762 1.00 . A A . 22 ALA H 1 1 3 1299 1 1 23 ALA HA H -1.448 6.977 0.684 1.00 . A A . 22 ALA HA 1 1 3 1300 1 1 23 ALA HB1 H -1.832 7.207 3.111 1.00 . A A . 22 ALA HB1 1 1 3 1301 1 1 23 ALA HB2 H -3.071 5.954 3.008 1.00 . A A . 22 ALA HB2 1 1 3 1302 1 1 23 ALA HB3 H -3.295 7.486 2.165 1.00 . A A . 22 ALA HB3 1 1 3 1303 1 1 23 ALA N N -2.871 5.511 0.396 1.00 . A A . 22 ALA N 1 1 3 1304 1 1 23 ALA O O 0.376 5.528 1.716 1.00 . A A . 22 ALA O 1 1 3 1305 1 1 24 ASP C C 0.631 2.576 1.075 1.00 . A A . 23 ASP C 1 1 3 1306 1 1 24 ASP CA C -0.276 2.886 2.262 1.00 . A A . 23 ASP CA 1 1 3 1307 1 1 24 ASP CB C -1.034 1.624 2.687 1.00 . A A . 23 ASP CB 1 1 3 1308 1 1 24 ASP CG C -0.222 0.733 3.609 1.00 . A A . 23 ASP CG 1 1 3 1309 1 1 24 ASP H H -2.171 3.747 1.851 1.00 . A A . 23 ASP H 1 1 3 1310 1 1 24 ASP HA H 0.330 3.236 3.086 1.00 . A A . 23 ASP HA 1 1 3 1311 1 1 24 ASP HB2 H -1.942 1.906 3.198 1.00 . A A . 23 ASP HB2 1 1 3 1312 1 1 24 ASP HB3 H -1.286 1.055 1.803 1.00 . A A . 23 ASP HB3 1 1 3 1313 1 1 24 ASP N N -1.212 3.948 1.903 1.00 . A A . 23 ASP N 1 1 3 1314 1 1 24 ASP O O 1.815 2.275 1.239 1.00 . A A . 23 ASP O 1 1 3 1315 1 1 24 ASP OD1 O -0.239 0.955 4.835 1.00 . A A . 23 ASP OD1 1 1 3 1316 1 1 24 ASP OD2 O 0.455 -0.188 3.105 1.00 . A A . 23 ASP OD2 1 1 3 1317 1 1 25 LEU C C 1.866 3.584 -1.516 1.00 . A A . 24 LEU C 1 1 3 1318 1 1 25 LEU CA C 0.832 2.486 -1.357 1.00 . A A . 24 LEU CA 1 1 3 1319 1 1 25 LEU CB C -0.079 2.457 -2.592 1.00 . A A . 24 LEU CB 1 1 3 1320 1 1 25 LEU CD1 C 0.435 0.154 -3.456 1.00 . A A . 24 LEU CD1 1 1 3 1321 1 1 25 LEU CD2 C -1.382 0.478 -1.783 1.00 . A A . 24 LEU CD2 1 1 3 1322 1 1 25 LEU CG C -0.661 1.090 -2.964 1.00 . A A . 24 LEU CG 1 1 3 1323 1 1 25 LEU H H -0.899 2.846 -0.185 1.00 . A A . 24 LEU H 1 1 3 1324 1 1 25 LEU HA H 1.344 1.541 -1.281 1.00 . A A . 24 LEU HA 1 1 3 1325 1 1 25 LEU HB2 H -0.902 3.137 -2.419 1.00 . A A . 24 LEU HB2 1 1 3 1326 1 1 25 LEU HB3 H 0.490 2.819 -3.435 1.00 . A A . 24 LEU HB3 1 1 3 1327 1 1 25 LEU HD11 H 0.919 0.588 -4.319 1.00 . A A . 24 LEU HD11 1 1 3 1328 1 1 25 LEU HD12 H 0.000 -0.796 -3.727 1.00 . A A . 24 LEU HD12 1 1 3 1329 1 1 25 LEU HD13 H 1.163 0.005 -2.674 1.00 . A A . 24 LEU HD13 1 1 3 1330 1 1 25 LEU HD21 H -0.691 0.353 -0.964 1.00 . A A . 24 LEU HD21 1 1 3 1331 1 1 25 LEU HD22 H -1.785 -0.484 -2.065 1.00 . A A . 24 LEU HD22 1 1 3 1332 1 1 25 LEU HD23 H -2.188 1.129 -1.478 1.00 . A A . 24 LEU HD23 1 1 3 1333 1 1 25 LEU HG H -1.374 1.216 -3.766 1.00 . A A . 24 LEU HG 1 1 3 1334 1 1 25 LEU N N 0.064 2.665 -0.127 1.00 . A A . 24 LEU N 1 1 3 1335 1 1 25 LEU O O 2.975 3.333 -1.974 1.00 . A A . 24 LEU O 1 1 3 1336 1 1 26 ALA C C 3.644 5.675 -0.337 1.00 . A A . 25 ALA C 1 1 3 1337 1 1 26 ALA CA C 2.422 5.926 -1.212 1.00 . A A . 25 ALA CA 1 1 3 1338 1 1 26 ALA CB C 1.723 7.208 -0.800 1.00 . A A . 25 ALA CB 1 1 3 1339 1 1 26 ALA H H 0.594 4.946 -0.791 1.00 . A A . 25 ALA H 1 1 3 1340 1 1 26 ALA HA H 2.742 6.026 -2.239 1.00 . A A . 25 ALA HA 1 1 3 1341 1 1 26 ALA HB1 H 1.394 7.124 0.226 1.00 . A A . 25 ALA HB1 1 1 3 1342 1 1 26 ALA HB2 H 0.869 7.373 -1.440 1.00 . A A . 25 ALA HB2 1 1 3 1343 1 1 26 ALA HB3 H 2.408 8.038 -0.892 1.00 . A A . 25 ALA HB3 1 1 3 1344 1 1 26 ALA N N 1.504 4.800 -1.135 1.00 . A A . 25 ALA N 1 1 3 1345 1 1 26 ALA O O 4.767 6.006 -0.712 1.00 . A A . 25 ALA O 1 1 3 1346 1 1 27 LYS C C 5.335 3.589 1.130 1.00 . A A . 26 LYS C 1 1 3 1347 1 1 27 LYS CA C 4.495 4.713 1.726 1.00 . A A . 26 LYS CA 1 1 3 1348 1 1 27 LYS CB C 3.929 4.282 3.081 1.00 . A A . 26 LYS CB 1 1 3 1349 1 1 27 LYS CD C 2.517 4.857 5.073 1.00 . A A . 26 LYS CD 1 1 3 1350 1 1 27 LYS CE C 1.571 5.878 5.680 1.00 . A A . 26 LYS CE 1 1 3 1351 1 1 27 LYS CG C 3.085 5.347 3.753 1.00 . A A . 26 LYS CG 1 1 3 1352 1 1 27 LYS H H 2.490 4.856 1.073 1.00 . A A . 26 LYS H 1 1 3 1353 1 1 27 LYS HA H 5.116 5.585 1.861 1.00 . A A . 26 LYS HA 1 1 3 1354 1 1 27 LYS HB2 H 3.315 3.406 2.939 1.00 . A A . 26 LYS HB2 1 1 3 1355 1 1 27 LYS HB3 H 4.749 4.032 3.737 1.00 . A A . 26 LYS HB3 1 1 3 1356 1 1 27 LYS HD2 H 1.978 3.936 4.903 1.00 . A A . 26 LYS HD2 1 1 3 1357 1 1 27 LYS HD3 H 3.331 4.679 5.760 1.00 . A A . 26 LYS HD3 1 1 3 1358 1 1 27 LYS HE2 H 2.108 6.800 5.838 1.00 . A A . 26 LYS HE2 1 1 3 1359 1 1 27 LYS HE3 H 0.759 6.050 4.990 1.00 . A A . 26 LYS HE3 1 1 3 1360 1 1 27 LYS HG2 H 3.699 6.217 3.938 1.00 . A A . 26 LYS HG2 1 1 3 1361 1 1 27 LYS HG3 H 2.269 5.615 3.099 1.00 . A A . 26 LYS HG3 1 1 3 1362 1 1 27 LYS HZ1 H 1.775 5.300 7.674 1.00 . A A . 26 LYS HZ1 1 1 3 1363 1 1 27 LYS HZ2 H 0.533 4.501 6.856 1.00 . A A . 26 LYS HZ2 1 1 3 1364 1 1 27 LYS HZ3 H 0.329 6.108 7.341 1.00 . A A . 26 LYS HZ3 1 1 3 1365 1 1 27 LYS N N 3.414 5.067 0.820 1.00 . A A . 26 LYS N 1 1 3 1366 1 1 27 LYS NZ N 1.014 5.416 6.977 1.00 . A A . 26 LYS NZ 1 1 3 1367 1 1 27 LYS O O 6.564 3.616 1.183 1.00 . A A . 26 LYS O 1 1 3 1368 1 1 28 4PH C33 C 6.282 -3.738 -3.772 1.00 . A A . 27 4PH C33 1 1 3 1369 1 1 28 4PH H33 H 7.107 -3.364 -4.357 1.00 . A A . 27 4PH H33 1 1 3 1370 1 1 28 4PH H33A H 6.611 -4.567 -3.163 1.00 . A A . 27 4PH H33A 1 1 3 1371 1 1 28 4PH H33B H 5.494 -4.064 -4.439 1.00 . A A . 27 4PH H33B 1 1 3 1372 1 1 29 GLN C C 7.456 3.935 -3.086 1.00 . A A . 28 GLN C 1 1 3 1373 1 1 29 GLN CA C 6.240 3.060 -3.392 1.00 . A A . 28 GLN CA 1 1 3 1374 1 1 29 GLN CB C 5.274 3.786 -4.338 1.00 . A A . 28 GLN CB 1 1 3 1375 1 1 29 GLN CD C 3.204 3.609 -5.808 1.00 . A A . 28 GLN CD 1 1 3 1376 1 1 29 GLN CG C 4.158 2.886 -4.873 1.00 . A A . 28 GLN CG 1 1 3 1377 1 1 29 GLN H H 4.638 2.969 -2.001 1.00 . A A . 28 GLN H 1 1 3 1378 1 1 29 GLN HA H 6.585 2.160 -3.876 1.00 . A A . 28 GLN HA 1 1 3 1379 1 1 29 GLN HB2 H 4.820 4.612 -3.807 1.00 . A A . 28 GLN HB2 1 1 3 1380 1 1 29 GLN HB3 H 5.833 4.172 -5.179 1.00 . A A . 28 GLN HB3 1 1 3 1381 1 1 29 GLN HE21 H 3.544 5.333 -4.886 1.00 . A A . 28 GLN HE21 1 1 3 1382 1 1 29 GLN HE22 H 2.437 5.394 -6.206 1.00 . A A . 28 GLN HE22 1 1 3 1383 1 1 29 GLN HG2 H 4.603 2.064 -5.413 1.00 . A A . 28 GLN HG2 1 1 3 1384 1 1 29 GLN HG3 H 3.593 2.497 -4.037 1.00 . A A . 28 GLN HG3 1 1 3 1385 1 1 29 GLN N N 5.559 2.658 -2.166 1.00 . A A . 28 GLN N 1 1 3 1386 1 1 29 GLN NE2 N 3.046 4.908 -5.613 1.00 . A A . 28 GLN NE2 1 1 3 1387 1 1 29 GLN O O 8.466 3.871 -3.789 1.00 . A A . 28 GLN O 1 1 3 1388 1 1 29 GLN OE1 O 2.619 3.003 -6.707 1.00 . A A . 28 GLN OE1 1 1 3 1389 1 1 30 LYS C C 9.593 4.661 -1.024 1.00 . A A . 29 LYS C 1 1 3 1390 1 1 30 LYS CA C 8.494 5.551 -1.598 1.00 . A A . 29 LYS CA 1 1 3 1391 1 1 30 LYS CB C 8.059 6.584 -0.549 1.00 . A A . 29 LYS CB 1 1 3 1392 1 1 30 LYS CD C 8.774 8.308 1.163 1.00 . A A . 29 LYS CD 1 1 3 1393 1 1 30 LYS CE C 8.404 9.688 0.627 1.00 . A A . 29 LYS CE 1 1 3 1394 1 1 30 LYS CG C 9.223 7.357 0.060 1.00 . A A . 29 LYS CG 1 1 3 1395 1 1 30 LYS H H 6.514 4.800 -1.546 1.00 . A A . 29 LYS H 1 1 3 1396 1 1 30 LYS HA H 8.883 6.068 -2.463 1.00 . A A . 29 LYS HA 1 1 3 1397 1 1 30 LYS HB2 H 7.391 7.292 -1.014 1.00 . A A . 29 LYS HB2 1 1 3 1398 1 1 30 LYS HB3 H 7.536 6.075 0.246 1.00 . A A . 29 LYS HB3 1 1 3 1399 1 1 30 LYS HD2 H 7.911 7.887 1.655 1.00 . A A . 29 LYS HD2 1 1 3 1400 1 1 30 LYS HD3 H 9.576 8.415 1.877 1.00 . A A . 29 LYS HD3 1 1 3 1401 1 1 30 LYS HE2 H 8.201 10.340 1.463 1.00 . A A . 29 LYS HE2 1 1 3 1402 1 1 30 LYS HE3 H 9.244 10.076 0.070 1.00 . A A . 29 LYS HE3 1 1 3 1403 1 1 30 LYS HG2 H 9.927 6.651 0.477 1.00 . A A . 29 LYS HG2 1 1 3 1404 1 1 30 LYS HG3 H 9.707 7.927 -0.718 1.00 . A A . 29 LYS HG3 1 1 3 1405 1 1 30 LYS HZ1 H 6.898 10.630 -0.471 1.00 . A A . 29 LYS HZ1 1 1 3 1406 1 1 30 LYS HZ2 H 6.431 9.152 0.199 1.00 . A A . 29 LYS HZ2 1 1 3 1407 1 1 30 LYS HZ3 H 7.440 9.184 -1.155 1.00 . A A . 29 LYS HZ3 1 1 3 1408 1 1 30 LYS N N 7.363 4.742 -2.033 1.00 . A A . 29 LYS N 1 1 3 1409 1 1 30 LYS NZ N 7.211 9.661 -0.260 1.00 . A A . 29 LYS NZ 1 1 3 1410 1 1 30 LYS O O 10.766 4.794 -1.381 1.00 . A A . 29 LYS O 1 1 3 1411 1 1 31 ASP C C 10.746 1.835 -0.409 1.00 . A A . 30 ASP C 1 1 3 1412 1 1 31 ASP CA C 10.151 2.874 0.539 1.00 . A A . 30 ASP CA 1 1 3 1413 1 1 31 ASP CB C 9.483 2.181 1.734 1.00 . A A . 30 ASP CB 1 1 3 1414 1 1 31 ASP CG C 10.454 1.324 2.521 1.00 . A A . 30 ASP CG 1 1 3 1415 1 1 31 ASP H H 8.237 3.643 0.034 1.00 . A A . 30 ASP H 1 1 3 1416 1 1 31 ASP HA H 10.951 3.500 0.904 1.00 . A A . 30 ASP HA 1 1 3 1417 1 1 31 ASP HB2 H 9.078 2.929 2.400 1.00 . A A . 30 ASP HB2 1 1 3 1418 1 1 31 ASP HB3 H 8.681 1.550 1.379 1.00 . A A . 30 ASP HB3 1 1 3 1419 1 1 31 ASP N N 9.197 3.741 -0.152 1.00 . A A . 30 ASP N 1 1 3 1420 1 1 31 ASP O O 11.889 1.416 -0.243 1.00 . A A . 30 ASP O 1 1 3 1421 1 1 31 ASP OD1 O 11.404 1.880 3.111 1.00 . A A . 30 ASP OD1 1 1 3 1422 1 1 31 ASP OD2 O 10.260 0.095 2.577 1.00 . A A . 30 ASP OD2 1 1 3 1423 1 1 32 LEU C C 11.581 1.083 -3.214 1.00 . A A . 31 LEU C 1 1 3 1424 1 1 32 LEU CA C 10.443 0.471 -2.404 1.00 . A A . 31 LEU CA 1 1 3 1425 1 1 32 LEU CB C 9.280 0.054 -3.323 1.00 . A A . 31 LEU CB 1 1 3 1426 1 1 32 LEU CD1 C 10.482 -1.233 -5.132 1.00 . A A . 31 LEU CD1 1 1 3 1427 1 1 32 LEU CD2 C 9.756 -2.388 -3.048 1.00 . A A . 31 LEU CD2 1 1 3 1428 1 1 32 LEU CG C 9.425 -1.292 -4.044 1.00 . A A . 31 LEU CG 1 1 3 1429 1 1 32 LEU H H 9.054 1.772 -1.472 1.00 . A A . 31 LEU H 1 1 3 1430 1 1 32 LEU HA H 10.815 -0.395 -1.882 1.00 . A A . 31 LEU HA 1 1 3 1431 1 1 32 LEU HB2 H 8.380 0.017 -2.728 1.00 . A A . 31 LEU HB2 1 1 3 1432 1 1 32 LEU HB3 H 9.160 0.821 -4.072 1.00 . A A . 31 LEU HB3 1 1 3 1433 1 1 32 LEU HD11 H 10.558 -2.197 -5.613 1.00 . A A . 31 LEU HD11 1 1 3 1434 1 1 32 LEU HD12 H 11.434 -0.972 -4.693 1.00 . A A . 31 LEU HD12 1 1 3 1435 1 1 32 LEU HD13 H 10.204 -0.487 -5.861 1.00 . A A . 31 LEU HD13 1 1 3 1436 1 1 32 LEU HD21 H 9.042 -2.360 -2.238 1.00 . A A . 31 LEU HD21 1 1 3 1437 1 1 32 LEU HD22 H 10.752 -2.236 -2.661 1.00 . A A . 31 LEU HD22 1 1 3 1438 1 1 32 LEU HD23 H 9.705 -3.348 -3.540 1.00 . A A . 31 LEU HD23 1 1 3 1439 1 1 32 LEU HG H 8.484 -1.544 -4.511 1.00 . A A . 31 LEU HG 1 1 3 1440 1 1 32 LEU N N 9.974 1.431 -1.410 1.00 . A A . 31 LEU N 1 1 3 1441 1 1 32 LEU O O 12.625 0.459 -3.409 1.00 . A A . 31 LEU O 1 1 3 1442 1 1 33 ALA C C 13.587 3.315 -3.471 1.00 . A A . 32 ALA C 1 1 3 1443 1 1 33 ALA CA C 12.402 3.046 -4.387 1.00 . A A . 32 ALA CA 1 1 3 1444 1 1 33 ALA CB C 11.835 4.351 -4.914 1.00 . A A . 32 ALA CB 1 1 3 1445 1 1 33 ALA H H 10.496 2.727 -3.539 1.00 . A A . 32 ALA H 1 1 3 1446 1 1 33 ALA HA H 12.728 2.451 -5.226 1.00 . A A . 32 ALA HA 1 1 3 1447 1 1 33 ALA HB1 H 12.602 4.889 -5.449 1.00 . A A . 32 ALA HB1 1 1 3 1448 1 1 33 ALA HB2 H 11.487 4.950 -4.085 1.00 . A A . 32 ALA HB2 1 1 3 1449 1 1 33 ALA HB3 H 11.010 4.144 -5.577 1.00 . A A . 32 ALA HB3 1 1 3 1450 1 1 33 ALA N N 11.372 2.309 -3.676 1.00 . A A . 32 ALA N 1 1 3 1451 1 1 33 ALA O O 14.746 3.243 -3.885 1.00 . A A . 32 ALA O 1 1 3 1452 1 1 34 ASP C C 15.151 2.629 -0.975 1.00 . A A . 33 ASP C 1 1 3 1453 1 1 34 ASP CA C 14.289 3.866 -1.200 1.00 . A A . 33 ASP CA 1 1 3 1454 1 1 34 ASP CB C 13.629 4.290 0.116 1.00 . A A . 33 ASP CB 1 1 3 1455 1 1 34 ASP CG C 14.637 4.596 1.202 1.00 . A A . 33 ASP CG 1 1 3 1456 1 1 34 ASP H H 12.328 3.676 -1.970 1.00 . A A . 33 ASP H 1 1 3 1457 1 1 34 ASP HA H 14.919 4.668 -1.553 1.00 . A A . 33 ASP HA 1 1 3 1458 1 1 34 ASP HB2 H 13.036 5.175 -0.054 1.00 . A A . 33 ASP HB2 1 1 3 1459 1 1 34 ASP HB3 H 12.987 3.494 0.463 1.00 . A A . 33 ASP HB3 1 1 3 1460 1 1 34 ASP N N 13.276 3.614 -2.217 1.00 . A A . 33 ASP N 1 1 3 1461 1 1 34 ASP O O 16.369 2.724 -0.823 1.00 . A A . 33 ASP O 1 1 3 1462 1 1 34 ASP OD1 O 15.155 5.732 1.228 1.00 . A A . 33 ASP OD1 1 1 3 1463 1 1 34 ASP OD2 O 14.903 3.712 2.041 1.00 . A A . 33 ASP OD2 1 1 3 1464 1 1 35 4PH C33 C 16.630 -5.886 0.686 1.00 . A A . 34 4PH C33 1 1 3 1465 1 1 35 4PH H33 H 17.673 -5.851 0.416 1.00 . A A . 34 4PH H33 1 1 3 1466 1 1 35 4PH H33A H 16.534 -6.084 1.742 1.00 . A A . 34 4PH H33A 1 1 3 1467 1 1 35 4PH H33B H 16.147 -6.673 0.122 1.00 . A A . 34 4PH H33B 1 1 3 1468 1 1 36 NH2 HN1 H 14.668 0.636 -3.202 1.00 . A A . 35 NH2 HN1 1 1 3 1469 1 1 36 NH2 HN2 H 16.090 0.047 -3.988 1.00 . A A . 35 NH2 HN2 1 1 3 1470 1 1 36 NH2 N N 15.561 0.228 -3.185 1.00 . A A . 35 NH2 N 1 1 4 1471 1 1 1 ACE C C 12.639 -2.814 6.448 1.00 . A A . 0 ACE C 1 1 4 1472 1 1 1 ACE CH3 C 13.640 -1.928 5.763 1.00 . A A . 0 ACE CH3 1 1 4 1473 1 1 1 ACE H1 H 14.617 -2.394 5.829 1.00 . A A . 0 ACE H1 1 1 4 1474 1 1 1 ACE H2 H 13.665 -0.973 6.252 1.00 . A A . 0 ACE H2 1 1 4 1475 1 1 1 ACE H3 H 13.338 -1.797 4.730 1.00 . A A . 0 ACE H3 1 1 4 1476 1 1 1 ACE O O 11.941 -2.388 7.368 1.00 . A A . 0 ACE O 1 1 4 1477 1 1 2 PRO C C 10.717 -3.973 4.343 1.00 . A A . 1 PRO C 1 1 4 1478 1 1 2 PRO CA C 12.145 -4.428 4.653 1.00 . A A . 1 PRO CA 1 1 4 1479 1 1 2 PRO CB C 12.236 -5.960 4.628 1.00 . A A . 1 PRO CB 1 1 4 1480 1 1 2 PRO CD C 12.861 -5.265 6.827 1.00 . A A . 1 PRO CD 1 1 4 1481 1 1 2 PRO CG C 12.213 -6.382 6.056 1.00 . A A . 1 PRO CG 1 1 4 1482 1 1 2 PRO HA H 12.823 -4.010 3.922 1.00 . A A . 1 PRO HA 1 1 4 1483 1 1 2 PRO HB2 H 11.389 -6.370 4.089 1.00 . A A . 1 PRO HB2 1 1 4 1484 1 1 2 PRO HB3 H 13.161 -6.270 4.166 1.00 . A A . 1 PRO HB3 1 1 4 1485 1 1 2 PRO HD2 H 12.426 -5.179 7.813 1.00 . A A . 1 PRO HD2 1 1 4 1486 1 1 2 PRO HD3 H 13.930 -5.418 6.897 1.00 . A A . 1 PRO HD3 1 1 4 1487 1 1 2 PRO HG2 H 11.186 -6.522 6.378 1.00 . A A . 1 PRO HG2 1 1 4 1488 1 1 2 PRO HG3 H 12.776 -7.295 6.181 1.00 . A A . 1 PRO HG3 1 1 4 1489 1 1 2 PRO N N 12.554 -4.078 6.017 1.00 . A A . 1 PRO N 1 1 4 1490 1 1 2 PRO O O 9.787 -4.274 5.093 1.00 . A A . 1 PRO O 1 1 4 1491 1 1 3 PRO C C 8.316 -3.909 2.346 1.00 . A A . 2 PRO C 1 1 4 1492 1 1 3 PRO CA C 9.199 -2.763 2.833 1.00 . A A . 2 PRO CA 1 1 4 1493 1 1 3 PRO CB C 9.494 -1.787 1.688 1.00 . A A . 2 PRO CB 1 1 4 1494 1 1 3 PRO CD C 11.586 -2.773 2.325 1.00 . A A . 2 PRO CD 1 1 4 1495 1 1 3 PRO CG C 10.827 -2.183 1.164 1.00 . A A . 2 PRO CG 1 1 4 1496 1 1 3 PRO HA H 8.701 -2.242 3.639 1.00 . A A . 2 PRO HA 1 1 4 1497 1 1 3 PRO HB2 H 8.735 -1.880 0.919 1.00 . A A . 2 PRO HB2 1 1 4 1498 1 1 3 PRO HB3 H 9.530 -0.773 2.060 1.00 . A A . 2 PRO HB3 1 1 4 1499 1 1 3 PRO HD2 H 12.190 -3.605 1.994 1.00 . A A . 2 PRO HD2 1 1 4 1500 1 1 3 PRO HD3 H 12.204 -2.021 2.795 1.00 . A A . 2 PRO HD3 1 1 4 1501 1 1 3 PRO HG2 H 10.705 -2.918 0.380 1.00 . A A . 2 PRO HG2 1 1 4 1502 1 1 3 PRO HG3 H 11.342 -1.315 0.789 1.00 . A A . 2 PRO HG3 1 1 4 1503 1 1 3 PRO N N 10.526 -3.227 3.244 1.00 . A A . 2 PRO N 1 1 4 1504 1 1 3 PRO O O 8.682 -4.639 1.417 1.00 . A A . 2 PRO O 1 1 4 1505 1 1 4 THR C C 5.121 -4.623 1.729 1.00 . A A . 3 THR C 1 1 4 1506 1 1 4 THR CA C 6.245 -5.140 2.618 1.00 . A A . 3 THR CA 1 1 4 1507 1 1 4 THR CB C 5.652 -5.807 3.874 1.00 . A A . 3 THR CB 1 1 4 1508 1 1 4 THR CG2 C 6.657 -6.754 4.513 1.00 . A A . 3 THR CG2 1 1 4 1509 1 1 4 THR H H 6.908 -3.448 3.689 1.00 . A A . 3 THR H 1 1 4 1510 1 1 4 THR HA H 6.805 -5.885 2.074 1.00 . A A . 3 THR HA 1 1 4 1511 1 1 4 THR HB H 4.783 -6.375 3.582 1.00 . A A . 3 THR HB 1 1 4 1512 1 1 4 THR HG1 H 5.885 -4.786 5.553 1.00 . A A . 3 THR HG1 1 1 4 1513 1 1 4 THR HG21 H 6.957 -7.498 3.791 1.00 . A A . 3 THR HG21 1 1 4 1514 1 1 4 THR HG22 H 6.200 -7.240 5.362 1.00 . A A . 3 THR HG22 1 1 4 1515 1 1 4 THR HG23 H 7.523 -6.198 4.838 1.00 . A A . 3 THR HG23 1 1 4 1516 1 1 4 THR N N 7.160 -4.071 2.973 1.00 . A A . 3 THR N 1 1 4 1517 1 1 4 THR O O 4.480 -3.617 2.042 1.00 . A A . 3 THR O 1 1 4 1518 1 1 4 THR OG1 O 5.255 -4.803 4.821 1.00 . A A . 3 THR OG1 1 1 4 1519 1 1 5 LYS C C 2.468 -5.182 0.243 1.00 . A A . 4 LYS C 1 1 4 1520 1 1 5 LYS CA C 3.861 -4.914 -0.332 1.00 . A A . 4 LYS CA 1 1 4 1521 1 1 5 LYS CB C 4.042 -5.640 -1.675 1.00 . A A . 4 LYS CB 1 1 4 1522 1 1 5 LYS CD C 4.192 -7.806 -2.940 1.00 . A A . 4 LYS CD 1 1 4 1523 1 1 5 LYS CE C 4.130 -9.323 -2.854 1.00 . A A . 4 LYS CE 1 1 4 1524 1 1 5 LYS CG C 3.919 -7.152 -1.592 1.00 . A A . 4 LYS CG 1 1 4 1525 1 1 5 LYS H H 5.462 -6.085 0.414 1.00 . A A . 4 LYS H 1 1 4 1526 1 1 5 LYS HA H 3.964 -3.856 -0.497 1.00 . A A . 4 LYS HA 1 1 4 1527 1 1 5 LYS HB2 H 3.295 -5.281 -2.368 1.00 . A A . 4 LYS HB2 1 1 4 1528 1 1 5 LYS HB3 H 5.021 -5.404 -2.064 1.00 . A A . 4 LYS HB3 1 1 4 1529 1 1 5 LYS HD2 H 3.452 -7.466 -3.649 1.00 . A A . 4 LYS HD2 1 1 4 1530 1 1 5 LYS HD3 H 5.176 -7.514 -3.277 1.00 . A A . 4 LYS HD3 1 1 4 1531 1 1 5 LYS HE2 H 4.477 -9.739 -3.788 1.00 . A A . 4 LYS HE2 1 1 4 1532 1 1 5 LYS HE3 H 4.780 -9.650 -2.056 1.00 . A A . 4 LYS HE3 1 1 4 1533 1 1 5 LYS HG2 H 4.634 -7.524 -0.874 1.00 . A A . 4 LYS HG2 1 1 4 1534 1 1 5 LYS HG3 H 2.919 -7.401 -1.273 1.00 . A A . 4 LYS HG3 1 1 4 1535 1 1 5 LYS HZ1 H 2.751 -10.859 -2.541 1.00 . A A . 4 LYS HZ1 1 1 4 1536 1 1 5 LYS HZ2 H 2.112 -9.519 -3.350 1.00 . A A . 4 LYS HZ2 1 1 4 1537 1 1 5 LYS HZ3 H 2.403 -9.443 -1.688 1.00 . A A . 4 LYS HZ3 1 1 4 1538 1 1 5 LYS N N 4.900 -5.306 0.613 1.00 . A A . 4 LYS N 1 1 4 1539 1 1 5 LYS NZ N 2.755 -9.820 -2.590 1.00 . A A . 4 LYS NZ 1 1 4 1540 1 1 5 LYS O O 2.209 -6.250 0.803 1.00 . A A . 4 LYS O 1 1 4 1541 1 1 6 PRO C C -0.653 -5.290 -0.229 1.00 . A A . 5 PRO C 1 1 4 1542 1 1 6 PRO CA C 0.183 -4.334 0.624 1.00 . A A . 5 PRO CA 1 1 4 1543 1 1 6 PRO CB C -0.360 -2.910 0.528 1.00 . A A . 5 PRO CB 1 1 4 1544 1 1 6 PRO CD C 1.818 -2.871 -0.452 1.00 . A A . 5 PRO CD 1 1 4 1545 1 1 6 PRO CG C 0.456 -2.247 -0.521 1.00 . A A . 5 PRO CG 1 1 4 1546 1 1 6 PRO HA H 0.158 -4.662 1.652 1.00 . A A . 5 PRO HA 1 1 4 1547 1 1 6 PRO HB2 H -1.400 -2.935 0.248 1.00 . A A . 5 PRO HB2 1 1 4 1548 1 1 6 PRO HB3 H -0.236 -2.401 1.469 1.00 . A A . 5 PRO HB3 1 1 4 1549 1 1 6 PRO HD2 H 2.236 -2.963 -1.445 1.00 . A A . 5 PRO HD2 1 1 4 1550 1 1 6 PRO HD3 H 2.470 -2.287 0.184 1.00 . A A . 5 PRO HD3 1 1 4 1551 1 1 6 PRO HG2 H 0.012 -2.418 -1.493 1.00 . A A . 5 PRO HG2 1 1 4 1552 1 1 6 PRO HG3 H 0.524 -1.191 -0.319 1.00 . A A . 5 PRO HG3 1 1 4 1553 1 1 6 PRO N N 1.562 -4.201 0.136 1.00 . A A . 5 PRO N 1 1 4 1554 1 1 6 PRO O O -0.311 -5.572 -1.380 1.00 . A A . 5 PRO O 1 1 4 1555 1 1 7 THR C C -3.845 -6.088 -0.914 1.00 . A A . 6 THR C 1 1 4 1556 1 1 7 THR CA C -2.596 -6.754 -0.333 1.00 . A A . 6 THR CA 1 1 4 1557 1 1 7 THR CB C -3.000 -7.900 0.626 1.00 . A A . 6 THR CB 1 1 4 1558 1 1 7 THR CG2 C -3.821 -7.380 1.796 1.00 . A A . 6 THR CG2 1 1 4 1559 1 1 7 THR H H -1.999 -5.468 1.237 1.00 . A A . 6 THR H 1 1 4 1560 1 1 7 THR HA H -2.025 -7.180 -1.143 1.00 . A A . 6 THR HA 1 1 4 1561 1 1 7 THR HB H -2.099 -8.346 1.017 1.00 . A A . 6 THR HB 1 1 4 1562 1 1 7 THR HG1 H -3.322 -9.767 0.065 1.00 . A A . 6 THR HG1 1 1 4 1563 1 1 7 THR HG21 H -4.704 -6.882 1.424 1.00 . A A . 6 THR HG21 1 1 4 1564 1 1 7 THR HG22 H -3.230 -6.683 2.370 1.00 . A A . 6 THR HG22 1 1 4 1565 1 1 7 THR HG23 H -4.113 -8.207 2.425 1.00 . A A . 6 THR HG23 1 1 4 1566 1 1 7 THR N N -1.748 -5.779 0.340 1.00 . A A . 6 THR N 1 1 4 1567 1 1 7 THR O O -4.399 -5.162 -0.322 1.00 . A A . 6 THR O 1 1 4 1568 1 1 7 THR OG1 O -3.747 -8.906 -0.071 1.00 . A A . 6 THR OG1 1 1 4 1569 1 1 8 LYS C C -6.709 -6.177 -1.949 1.00 . A A . 7 LYS C 1 1 4 1570 1 1 8 LYS CA C -5.435 -6.010 -2.775 1.00 . A A . 7 LYS CA 1 1 4 1571 1 1 8 LYS CB C -5.623 -6.699 -4.132 1.00 . A A . 7 LYS CB 1 1 4 1572 1 1 8 LYS CD C -4.228 -5.060 -5.475 1.00 . A A . 7 LYS CD 1 1 4 1573 1 1 8 LYS CE C -5.496 -4.385 -5.986 1.00 . A A . 7 LYS CE 1 1 4 1574 1 1 8 LYS CG C -4.459 -6.522 -5.101 1.00 . A A . 7 LYS CG 1 1 4 1575 1 1 8 LYS H H -3.774 -7.301 -2.500 1.00 . A A . 7 LYS H 1 1 4 1576 1 1 8 LYS HA H -5.264 -4.959 -2.938 1.00 . A A . 7 LYS HA 1 1 4 1577 1 1 8 LYS HB2 H -5.759 -7.756 -3.964 1.00 . A A . 7 LYS HB2 1 1 4 1578 1 1 8 LYS HB3 H -6.513 -6.304 -4.600 1.00 . A A . 7 LYS HB3 1 1 4 1579 1 1 8 LYS HD2 H -3.876 -4.525 -4.605 1.00 . A A . 7 LYS HD2 1 1 4 1580 1 1 8 LYS HD3 H -3.473 -5.017 -6.249 1.00 . A A . 7 LYS HD3 1 1 4 1581 1 1 8 LYS HE2 H -6.217 -4.348 -5.184 1.00 . A A . 7 LYS HE2 1 1 4 1582 1 1 8 LYS HE3 H -5.250 -3.378 -6.291 1.00 . A A . 7 LYS HE3 1 1 4 1583 1 1 8 LYS HG2 H -3.563 -6.907 -4.638 1.00 . A A . 7 LYS HG2 1 1 4 1584 1 1 8 LYS HG3 H -4.667 -7.084 -6.000 1.00 . A A . 7 LYS HG3 1 1 4 1585 1 1 8 LYS HZ1 H -6.940 -4.598 -7.480 1.00 . A A . 7 LYS HZ1 1 1 4 1586 1 1 8 LYS HZ2 H -6.374 -6.066 -6.866 1.00 . A A . 7 LYS HZ2 1 1 4 1587 1 1 8 LYS HZ3 H -5.411 -5.167 -7.923 1.00 . A A . 7 LYS HZ3 1 1 4 1588 1 1 8 LYS N N -4.267 -6.559 -2.085 1.00 . A A . 7 LYS N 1 1 4 1589 1 1 8 LYS NZ N -6.096 -5.105 -7.143 1.00 . A A . 7 LYS NZ 1 1 4 1590 1 1 8 LYS O O -7.100 -7.298 -1.622 1.00 . A A . 7 LYS O 1 1 4 1591 1 1 9 PRO C C -9.760 -5.695 -1.773 1.00 . A A . 8 PRO C 1 1 4 1592 1 1 9 PRO CA C -8.661 -5.090 -0.903 1.00 . A A . 8 PRO CA 1 1 4 1593 1 1 9 PRO CB C -8.963 -3.612 -0.619 1.00 . A A . 8 PRO CB 1 1 4 1594 1 1 9 PRO CD C -6.907 -3.682 -1.832 1.00 . A A . 8 PRO CD 1 1 4 1595 1 1 9 PRO CG C -7.676 -2.889 -0.811 1.00 . A A . 8 PRO CG 1 1 4 1596 1 1 9 PRO HA H -8.598 -5.636 0.026 1.00 . A A . 8 PRO HA 1 1 4 1597 1 1 9 PRO HB2 H -9.712 -3.252 -1.315 1.00 . A A . 8 PRO HB2 1 1 4 1598 1 1 9 PRO HB3 H -9.310 -3.493 0.397 1.00 . A A . 8 PRO HB3 1 1 4 1599 1 1 9 PRO HD2 H -7.156 -3.354 -2.833 1.00 . A A . 8 PRO HD2 1 1 4 1600 1 1 9 PRO HD3 H -5.843 -3.595 -1.654 1.00 . A A . 8 PRO HD3 1 1 4 1601 1 1 9 PRO HG2 H -7.872 -1.888 -1.174 1.00 . A A . 8 PRO HG2 1 1 4 1602 1 1 9 PRO HG3 H -7.127 -2.852 0.119 1.00 . A A . 8 PRO HG3 1 1 4 1603 1 1 9 PRO N N -7.370 -5.061 -1.599 1.00 . A A . 8 PRO N 1 1 4 1604 1 1 9 PRO O O -9.868 -5.378 -2.960 1.00 . A A . 8 PRO O 1 1 4 1605 1 1 10 GLY C C -12.981 -6.542 -1.639 1.00 . A A . 9 GLY C 1 1 4 1606 1 1 10 GLY CA C -11.644 -7.196 -1.922 1.00 . A A . 9 GLY CA 1 1 4 1607 1 1 10 GLY H H -10.428 -6.782 -0.237 1.00 . A A . 9 GLY H 1 1 4 1608 1 1 10 GLY HA2 H -11.436 -7.122 -2.978 1.00 . A A . 9 GLY HA2 1 1 4 1609 1 1 10 GLY HA3 H -11.700 -8.239 -1.648 1.00 . A A . 9 GLY HA3 1 1 4 1610 1 1 10 GLY N N -10.564 -6.568 -1.184 1.00 . A A . 9 GLY N 1 1 4 1611 1 1 10 GLY O O -13.525 -5.831 -2.486 1.00 . A A . 9 GLY O 1 1 4 1612 1 1 11 ASP C C -14.499 -4.788 0.582 1.00 . A A . 10 ASP C 1 1 4 1613 1 1 11 ASP CA C -14.760 -6.157 -0.018 1.00 . A A . 10 ASP CA 1 1 4 1614 1 1 11 ASP CB C -15.477 -7.042 1.006 1.00 . A A . 10 ASP CB 1 1 4 1615 1 1 11 ASP CG C -16.765 -6.418 1.509 1.00 . A A . 10 ASP CG 1 1 4 1616 1 1 11 ASP H H -13.015 -7.349 0.188 1.00 . A A . 10 ASP H 1 1 4 1617 1 1 11 ASP HA H -15.385 -6.046 -0.894 1.00 . A A . 10 ASP HA 1 1 4 1618 1 1 11 ASP HB2 H -15.717 -7.990 0.548 1.00 . A A . 10 ASP HB2 1 1 4 1619 1 1 11 ASP HB3 H -14.824 -7.209 1.851 1.00 . A A . 10 ASP HB3 1 1 4 1620 1 1 11 ASP N N -13.496 -6.762 -0.437 1.00 . A A . 10 ASP N 1 1 4 1621 1 1 11 ASP O O -15.302 -3.863 0.454 1.00 . A A . 10 ASP O 1 1 4 1622 1 1 11 ASP OD1 O -17.833 -6.666 0.909 1.00 . A A . 10 ASP OD1 1 1 4 1623 1 1 11 ASP OD2 O -16.718 -5.672 2.511 1.00 . A A . 10 ASP OD2 1 1 4 1624 1 1 12 ASN C C -12.372 -2.440 0.813 1.00 . A A . 11 ASN C 1 1 4 1625 1 1 12 ASN CA C -12.932 -3.417 1.845 1.00 . A A . 11 ASN CA 1 1 4 1626 1 1 12 ASN CB C -11.897 -3.680 2.946 1.00 . A A . 11 ASN CB 1 1 4 1627 1 1 12 ASN CG C -10.648 -4.380 2.436 1.00 . A A . 11 ASN CG 1 1 4 1628 1 1 12 ASN H H -12.742 -5.436 1.257 1.00 . A A . 11 ASN H 1 1 4 1629 1 1 12 ASN HA H -13.810 -2.975 2.291 1.00 . A A . 11 ASN HA 1 1 4 1630 1 1 12 ASN HB2 H -11.604 -2.738 3.384 1.00 . A A . 11 ASN HB2 1 1 4 1631 1 1 12 ASN HB3 H -12.346 -4.298 3.711 1.00 . A A . 11 ASN HB3 1 1 4 1632 1 1 12 ASN HD21 H -9.535 -3.465 3.802 1.00 . A A . 11 ASN HD21 1 1 4 1633 1 1 12 ASN HD22 H -8.694 -4.536 2.744 1.00 . A A . 11 ASN HD22 1 1 4 1634 1 1 12 ASN N N -13.345 -4.662 1.213 1.00 . A A . 11 ASN N 1 1 4 1635 1 1 12 ASN ND2 N -9.512 -4.098 3.056 1.00 . A A . 11 ASN ND2 1 1 4 1636 1 1 12 ASN O O -11.819 -1.405 1.163 1.00 . A A . 11 ASN O 1 1 4 1637 1 1 12 ASN OD1 O -10.699 -5.174 1.497 1.00 . A A . 11 ASN OD1 1 1 4 1638 1 1 13 ALA C C -13.013 -0.748 -1.786 1.00 . A A . 12 ALA C 1 1 4 1639 1 1 13 ALA CA C -12.067 -1.927 -1.557 1.00 . A A . 12 ALA CA 1 1 4 1640 1 1 13 ALA CB C -11.926 -2.747 -2.827 1.00 . A A . 12 ALA CB 1 1 4 1641 1 1 13 ALA H H -12.971 -3.621 -0.676 1.00 . A A . 12 ALA H 1 1 4 1642 1 1 13 ALA HA H -11.094 -1.545 -1.293 1.00 . A A . 12 ALA HA 1 1 4 1643 1 1 13 ALA HB1 H -12.896 -3.104 -3.135 1.00 . A A . 12 ALA HB1 1 1 4 1644 1 1 13 ALA HB2 H -11.276 -3.589 -2.638 1.00 . A A . 12 ALA HB2 1 1 4 1645 1 1 13 ALA HB3 H -11.502 -2.131 -3.608 1.00 . A A . 12 ALA HB3 1 1 4 1646 1 1 13 ALA N N -12.528 -2.777 -0.463 1.00 . A A . 12 ALA N 1 1 4 1647 1 1 13 ALA O O -13.067 -0.182 -2.879 1.00 . A A . 12 ALA O 1 1 4 1648 1 1 14 THR C C -13.878 2.042 -0.985 1.00 . A A . 13 THR C 1 1 4 1649 1 1 14 THR CA C -14.654 0.746 -0.806 1.00 . A A . 13 THR CA 1 1 4 1650 1 1 14 THR CB C -15.514 0.817 0.467 1.00 . A A . 13 THR CB 1 1 4 1651 1 1 14 THR CG2 C -16.579 -0.264 0.448 1.00 . A A . 13 THR CG2 1 1 4 1652 1 1 14 THR H H -13.636 -0.861 0.097 1.00 . A A . 13 THR H 1 1 4 1653 1 1 14 THR HA H -15.310 0.608 -1.653 1.00 . A A . 13 THR HA 1 1 4 1654 1 1 14 THR HB H -16.001 1.778 0.502 1.00 . A A . 13 THR HB 1 1 4 1655 1 1 14 THR HG1 H -14.987 -0.103 2.136 1.00 . A A . 13 THR HG1 1 1 4 1656 1 1 14 THR HG21 H -17.185 -0.154 -0.437 1.00 . A A . 13 THR HG21 1 1 4 1657 1 1 14 THR HG22 H -17.201 -0.169 1.325 1.00 . A A . 13 THR HG22 1 1 4 1658 1 1 14 THR HG23 H -16.108 -1.235 0.444 1.00 . A A . 13 THR HG23 1 1 4 1659 1 1 14 THR N N -13.740 -0.379 -0.748 1.00 . A A . 13 THR N 1 1 4 1660 1 1 14 THR O O -12.804 2.190 -0.415 1.00 . A A . 13 THR O 1 1 4 1661 1 1 14 THR OG1 O -14.688 0.665 1.632 1.00 . A A . 13 THR OG1 1 1 4 1662 1 1 15 PRO C C -12.962 4.874 -0.962 1.00 . A A . 14 PRO C 1 1 4 1663 1 1 15 PRO CA C -13.731 4.246 -2.128 1.00 . A A . 14 PRO CA 1 1 4 1664 1 1 15 PRO CB C -14.892 5.146 -2.545 1.00 . A A . 14 PRO CB 1 1 4 1665 1 1 15 PRO CD C -15.724 2.882 -2.453 1.00 . A A . 14 PRO CD 1 1 4 1666 1 1 15 PRO CG C -15.915 4.228 -3.119 1.00 . A A . 14 PRO CG 1 1 4 1667 1 1 15 PRO HA H -13.060 4.114 -2.963 1.00 . A A . 14 PRO HA 1 1 4 1668 1 1 15 PRO HB2 H -15.282 5.668 -1.679 1.00 . A A . 14 PRO HB2 1 1 4 1669 1 1 15 PRO HB3 H -14.568 5.853 -3.292 1.00 . A A . 14 PRO HB3 1 1 4 1670 1 1 15 PRO HD2 H -16.504 2.704 -1.728 1.00 . A A . 14 PRO HD2 1 1 4 1671 1 1 15 PRO HD3 H -15.715 2.093 -3.190 1.00 . A A . 14 PRO HD3 1 1 4 1672 1 1 15 PRO HG2 H -16.905 4.617 -2.910 1.00 . A A . 14 PRO HG2 1 1 4 1673 1 1 15 PRO HG3 H -15.765 4.136 -4.186 1.00 . A A . 14 PRO HG3 1 1 4 1674 1 1 15 PRO N N -14.408 2.984 -1.788 1.00 . A A . 14 PRO N 1 1 4 1675 1 1 15 PRO O O -11.829 5.328 -1.131 1.00 . A A . 14 PRO O 1 1 4 1676 1 1 16 GLU C C -11.762 4.686 1.900 1.00 . A A . 15 GLU C 1 1 4 1677 1 1 16 GLU CA C -12.962 5.495 1.392 1.00 . A A . 15 GLU CA 1 1 4 1678 1 1 16 GLU CB C -14.013 5.658 2.492 1.00 . A A . 15 GLU CB 1 1 4 1679 1 1 16 GLU CD C -16.275 6.603 3.098 1.00 . A A . 15 GLU CD 1 1 4 1680 1 1 16 GLU CG C -15.128 6.619 2.115 1.00 . A A . 15 GLU CG 1 1 4 1681 1 1 16 GLU H H -14.451 4.449 0.301 1.00 . A A . 15 GLU H 1 1 4 1682 1 1 16 GLU HA H -12.614 6.473 1.099 1.00 . A A . 15 GLU HA 1 1 4 1683 1 1 16 GLU HB2 H -14.454 4.696 2.700 1.00 . A A . 15 GLU HB2 1 1 4 1684 1 1 16 GLU HB3 H -13.533 6.028 3.384 1.00 . A A . 15 GLU HB3 1 1 4 1685 1 1 16 GLU HG2 H -14.724 7.620 2.073 1.00 . A A . 15 GLU HG2 1 1 4 1686 1 1 16 GLU HG3 H -15.503 6.344 1.142 1.00 . A A . 15 GLU HG3 1 1 4 1687 1 1 16 GLU N N -13.569 4.877 0.217 1.00 . A A . 15 GLU N 1 1 4 1688 1 1 16 GLU O O -10.687 5.238 2.138 1.00 . A A . 15 GLU O 1 1 4 1689 1 1 16 GLU OE1 O -17.176 5.748 2.960 1.00 . A A . 15 GLU OE1 1 1 4 1690 1 1 16 GLU OE2 O -16.281 7.450 4.020 1.00 . A A . 15 GLU OE2 1 1 4 1691 1 1 17 LYS C C -9.823 2.304 1.428 1.00 . A A . 16 LYS C 1 1 4 1692 1 1 17 LYS CA C -10.868 2.508 2.523 1.00 . A A . 16 LYS CA 1 1 4 1693 1 1 17 LYS CB C -11.449 1.161 2.976 1.00 . A A . 16 LYS CB 1 1 4 1694 1 1 17 LYS CD C -9.817 0.650 4.833 1.00 . A A . 16 LYS CD 1 1 4 1695 1 1 17 LYS CE C -8.890 -0.401 5.424 1.00 . A A . 16 LYS CE 1 1 4 1696 1 1 17 LYS CG C -10.420 0.178 3.520 1.00 . A A . 16 LYS CG 1 1 4 1697 1 1 17 LYS H H -12.796 2.985 1.786 1.00 . A A . 16 LYS H 1 1 4 1698 1 1 17 LYS HA H -10.401 2.997 3.365 1.00 . A A . 16 LYS HA 1 1 4 1699 1 1 17 LYS HB2 H -12.176 1.344 3.754 1.00 . A A . 16 LYS HB2 1 1 4 1700 1 1 17 LYS HB3 H -11.945 0.698 2.133 1.00 . A A . 16 LYS HB3 1 1 4 1701 1 1 17 LYS HD2 H -9.255 1.554 4.659 1.00 . A A . 16 LYS HD2 1 1 4 1702 1 1 17 LYS HD3 H -10.616 0.847 5.535 1.00 . A A . 16 LYS HD3 1 1 4 1703 1 1 17 LYS HE2 H -9.456 -1.302 5.603 1.00 . A A . 16 LYS HE2 1 1 4 1704 1 1 17 LYS HE3 H -8.103 -0.608 4.714 1.00 . A A . 16 LYS HE3 1 1 4 1705 1 1 17 LYS HG2 H -10.898 -0.775 3.680 1.00 . A A . 16 LYS HG2 1 1 4 1706 1 1 17 LYS HG3 H -9.628 0.066 2.793 1.00 . A A . 16 LYS HG3 1 1 4 1707 1 1 17 LYS HZ1 H -9.017 0.170 7.427 1.00 . A A . 16 LYS HZ1 1 1 4 1708 1 1 17 LYS HZ2 H -7.792 0.954 6.571 1.00 . A A . 16 LYS HZ2 1 1 4 1709 1 1 17 LYS HZ3 H -7.594 -0.655 7.041 1.00 . A A . 16 LYS HZ3 1 1 4 1710 1 1 17 LYS N N -11.936 3.379 2.036 1.00 . A A . 16 LYS N 1 1 4 1711 1 1 17 LYS NZ N -8.281 0.046 6.704 1.00 . A A . 16 LYS NZ 1 1 4 1712 1 1 17 LYS O O -8.639 2.100 1.703 1.00 . A A . 16 LYS O 1 1 4 1713 1 1 18 LEU C C -8.477 3.468 -1.053 1.00 . A A . 17 LEU C 1 1 4 1714 1 1 18 LEU CA C -9.410 2.265 -0.974 1.00 . A A . 17 LEU CA 1 1 4 1715 1 1 18 LEU CB C -10.254 2.159 -2.247 1.00 . A A . 17 LEU CB 1 1 4 1716 1 1 18 LEU CD1 C -8.749 0.527 -3.400 1.00 . A A . 17 LEU CD1 1 1 4 1717 1 1 18 LEU CD2 C -10.464 1.783 -4.698 1.00 . A A . 17 LEU CD2 1 1 4 1718 1 1 18 LEU CG C -9.494 1.843 -3.533 1.00 . A A . 17 LEU CG 1 1 4 1719 1 1 18 LEU H H -11.240 2.526 0.041 1.00 . A A . 17 LEU H 1 1 4 1720 1 1 18 LEU HA H -8.826 1.368 -0.862 1.00 . A A . 17 LEU HA 1 1 4 1721 1 1 18 LEU HB2 H -10.991 1.384 -2.100 1.00 . A A . 17 LEU HB2 1 1 4 1722 1 1 18 LEU HB3 H -10.768 3.099 -2.385 1.00 . A A . 17 LEU HB3 1 1 4 1723 1 1 18 LEU HD11 H -9.458 -0.265 -3.214 1.00 . A A . 17 LEU HD11 1 1 4 1724 1 1 18 LEU HD12 H -8.055 0.589 -2.578 1.00 . A A . 17 LEU HD12 1 1 4 1725 1 1 18 LEU HD13 H -8.211 0.323 -4.313 1.00 . A A . 17 LEU HD13 1 1 4 1726 1 1 18 LEU HD21 H -11.182 0.995 -4.520 1.00 . A A . 17 LEU HD21 1 1 4 1727 1 1 18 LEU HD22 H -9.923 1.579 -5.610 1.00 . A A . 17 LEU HD22 1 1 4 1728 1 1 18 LEU HD23 H -10.980 2.727 -4.786 1.00 . A A . 17 LEU HD23 1 1 4 1729 1 1 18 LEU HG H -8.773 2.625 -3.730 1.00 . A A . 17 LEU HG 1 1 4 1730 1 1 18 LEU N N -10.277 2.386 0.185 1.00 . A A . 17 LEU N 1 1 4 1731 1 1 18 LEU O O -7.321 3.348 -1.455 1.00 . A A . 17 LEU O 1 1 4 1732 1 1 19 ALA C C -7.105 5.698 0.458 1.00 . A A . 18 ALA C 1 1 4 1733 1 1 19 ALA CA C -8.202 5.841 -0.587 1.00 . A A . 18 ALA CA 1 1 4 1734 1 1 19 ALA CB C -9.096 7.028 -0.268 1.00 . A A . 18 ALA CB 1 1 4 1735 1 1 19 ALA H H -9.938 4.658 -0.395 1.00 . A A . 18 ALA H 1 1 4 1736 1 1 19 ALA HA H -7.751 6.002 -1.554 1.00 . A A . 18 ALA HA 1 1 4 1737 1 1 19 ALA HB1 H -9.559 6.880 0.697 1.00 . A A . 18 ALA HB1 1 1 4 1738 1 1 19 ALA HB2 H -9.863 7.112 -1.023 1.00 . A A . 18 ALA HB2 1 1 4 1739 1 1 19 ALA HB3 H -8.506 7.932 -0.250 1.00 . A A . 18 ALA HB3 1 1 4 1740 1 1 19 ALA N N -8.992 4.623 -0.651 1.00 . A A . 18 ALA N 1 1 4 1741 1 1 19 ALA O O -5.948 6.050 0.222 1.00 . A A . 18 ALA O 1 1 4 1742 1 1 20 LYS C C -5.486 3.864 2.174 1.00 . A A . 19 LYS C 1 1 4 1743 1 1 20 LYS CA C -6.522 4.871 2.670 1.00 . A A . 19 LYS CA 1 1 4 1744 1 1 20 LYS CB C -7.244 4.323 3.904 1.00 . A A . 19 LYS CB 1 1 4 1745 1 1 20 LYS CD C -5.672 5.294 5.608 1.00 . A A . 19 LYS CD 1 1 4 1746 1 1 20 LYS CE C -4.741 5.000 6.772 1.00 . A A . 19 LYS CE 1 1 4 1747 1 1 20 LYS CG C -6.320 4.028 5.074 1.00 . A A . 19 LYS CG 1 1 4 1748 1 1 20 LYS H H -8.427 4.950 1.755 1.00 . A A . 19 LYS H 1 1 4 1749 1 1 20 LYS HA H -6.024 5.791 2.927 1.00 . A A . 19 LYS HA 1 1 4 1750 1 1 20 LYS HB2 H -7.979 5.047 4.226 1.00 . A A . 19 LYS HB2 1 1 4 1751 1 1 20 LYS HB3 H -7.751 3.407 3.635 1.00 . A A . 19 LYS HB3 1 1 4 1752 1 1 20 LYS HD2 H -5.104 5.757 4.816 1.00 . A A . 19 LYS HD2 1 1 4 1753 1 1 20 LYS HD3 H -6.446 5.970 5.940 1.00 . A A . 19 LYS HD3 1 1 4 1754 1 1 20 LYS HE2 H -5.305 4.518 7.555 1.00 . A A . 19 LYS HE2 1 1 4 1755 1 1 20 LYS HE3 H -3.958 4.337 6.432 1.00 . A A . 19 LYS HE3 1 1 4 1756 1 1 20 LYS HG2 H -6.891 3.565 5.866 1.00 . A A . 19 LYS HG2 1 1 4 1757 1 1 20 LYS HG3 H -5.546 3.350 4.743 1.00 . A A . 19 LYS HG3 1 1 4 1758 1 1 20 LYS HZ1 H -4.858 6.876 7.678 1.00 . A A . 19 LYS HZ1 1 1 4 1759 1 1 20 LYS HZ2 H -3.596 6.733 6.564 1.00 . A A . 19 LYS HZ2 1 1 4 1760 1 1 20 LYS HZ3 H -3.467 6.006 8.082 1.00 . A A . 19 LYS HZ3 1 1 4 1761 1 1 20 LYS N N -7.479 5.157 1.611 1.00 . A A . 19 LYS N 1 1 4 1762 1 1 20 LYS NZ N -4.123 6.239 7.312 1.00 . A A . 19 LYS NZ 1 1 4 1763 1 1 20 LYS O O -4.306 3.941 2.519 1.00 . A A . 19 LYS O 1 1 4 1764 1 1 21 4PH C33 C -2.868 -3.145 -2.519 1.00 . A A . 20 4PH C33 1 1 4 1765 1 1 21 4PH H33 H -2.042 -3.412 -1.876 1.00 . A A . 20 4PH H33 1 1 4 1766 1 1 21 4PH H33A H -3.470 -4.015 -2.716 1.00 . A A . 20 4PH H33A 1 1 4 1767 1 1 21 4PH H33B H -2.482 -2.747 -3.449 1.00 . A A . 20 4PH H33B 1 1 4 1768 1 1 22 GLN C C -2.559 5.032 -1.102 1.00 . A A . 21 GLN C 1 1 4 1769 1 1 22 GLN CA C -3.631 4.275 -1.883 1.00 . A A . 21 GLN CA 1 1 4 1770 1 1 22 GLN CB C -4.432 5.241 -2.757 1.00 . A A . 21 GLN CB 1 1 4 1771 1 1 22 GLN CD C -4.697 3.618 -4.672 1.00 . A A . 21 GLN CD 1 1 4 1772 1 1 22 GLN CG C -5.402 4.533 -3.688 1.00 . A A . 21 GLN CG 1 1 4 1773 1 1 22 GLN H H -5.474 3.769 -0.960 1.00 . A A . 21 GLN H 1 1 4 1774 1 1 22 GLN HA H -3.149 3.550 -2.520 1.00 . A A . 21 GLN HA 1 1 4 1775 1 1 22 GLN HB2 H -4.995 5.906 -2.120 1.00 . A A . 21 GLN HB2 1 1 4 1776 1 1 22 GLN HB3 H -3.747 5.821 -3.357 1.00 . A A . 21 GLN HB3 1 1 4 1777 1 1 22 GLN HE21 H -4.755 2.119 -3.374 1.00 . A A . 21 GLN HE21 1 1 4 1778 1 1 22 GLN HE22 H -3.999 1.772 -4.884 1.00 . A A . 21 GLN HE22 1 1 4 1779 1 1 22 GLN HG2 H -6.082 3.941 -3.094 1.00 . A A . 21 GLN HG2 1 1 4 1780 1 1 22 GLN HG3 H -5.958 5.275 -4.242 1.00 . A A . 21 GLN HG3 1 1 4 1781 1 1 22 GLN N N -4.517 3.546 -0.977 1.00 . A A . 21 GLN N 1 1 4 1782 1 1 22 GLN NE2 N -4.464 2.378 -4.270 1.00 . A A . 21 GLN NE2 1 1 4 1783 1 1 22 GLN O O -1.423 5.174 -1.562 1.00 . A A . 21 GLN O 1 1 4 1784 1 1 22 GLN OE1 O -4.357 4.024 -5.782 1.00 . A A . 21 GLN OE1 1 1 4 1785 1 1 23 ALA C C -0.930 5.184 1.473 1.00 . A A . 22 ALA C 1 1 4 1786 1 1 23 ALA CA C -1.979 6.168 0.967 1.00 . A A . 22 ALA CA 1 1 4 1787 1 1 23 ALA CB C -2.718 6.805 2.129 1.00 . A A . 22 ALA CB 1 1 4 1788 1 1 23 ALA H H -3.850 5.390 0.378 1.00 . A A . 22 ALA H 1 1 4 1789 1 1 23 ALA HA H -1.490 6.948 0.405 1.00 . A A . 22 ALA HA 1 1 4 1790 1 1 23 ALA HB1 H -3.445 7.507 1.750 1.00 . A A . 22 ALA HB1 1 1 4 1791 1 1 23 ALA HB2 H -2.016 7.320 2.765 1.00 . A A . 22 ALA HB2 1 1 4 1792 1 1 23 ALA HB3 H -3.224 6.036 2.695 1.00 . A A . 22 ALA HB3 1 1 4 1793 1 1 23 ALA N N -2.921 5.497 0.086 1.00 . A A . 22 ALA N 1 1 4 1794 1 1 23 ALA O O 0.240 5.532 1.644 1.00 . A A . 22 ALA O 1 1 4 1795 1 1 24 ASP C C 0.477 2.506 0.990 1.00 . A A . 23 ASP C 1 1 4 1796 1 1 24 ASP CA C -0.462 2.881 2.131 1.00 . A A . 23 ASP CA 1 1 4 1797 1 1 24 ASP CB C -1.249 1.649 2.583 1.00 . A A . 23 ASP CB 1 1 4 1798 1 1 24 ASP CG C -0.387 0.655 3.332 1.00 . A A . 23 ASP CG 1 1 4 1799 1 1 24 ASP H H -2.322 3.759 1.602 1.00 . A A . 23 ASP H 1 1 4 1800 1 1 24 ASP HA H 0.126 3.250 2.960 1.00 . A A . 23 ASP HA 1 1 4 1801 1 1 24 ASP HB2 H -2.060 1.956 3.225 1.00 . A A . 23 ASP HB2 1 1 4 1802 1 1 24 ASP HB3 H -1.653 1.154 1.711 1.00 . A A . 23 ASP HB3 1 1 4 1803 1 1 24 ASP N N -1.364 3.952 1.707 1.00 . A A . 23 ASP N 1 1 4 1804 1 1 24 ASP O O 1.657 2.226 1.207 1.00 . A A . 23 ASP O 1 1 4 1805 1 1 24 ASP OD1 O 0.008 0.946 4.479 1.00 . A A . 23 ASP OD1 1 1 4 1806 1 1 24 ASP OD2 O -0.094 -0.423 2.776 1.00 . A A . 23 ASP OD2 1 1 4 1807 1 1 25 LEU C C 1.828 3.375 -1.528 1.00 . A A . 24 LEU C 1 1 4 1808 1 1 25 LEU CA C 0.761 2.307 -1.427 1.00 . A A . 24 LEU CA 1 1 4 1809 1 1 25 LEU CB C -0.087 2.312 -2.707 1.00 . A A . 24 LEU CB 1 1 4 1810 1 1 25 LEU CD1 C 0.431 0.049 -3.651 1.00 . A A . 24 LEU CD1 1 1 4 1811 1 1 25 LEU CD2 C -1.394 0.302 -1.973 1.00 . A A . 24 LEU CD2 1 1 4 1812 1 1 25 LEU CG C -0.669 0.961 -3.129 1.00 . A A . 24 LEU CG 1 1 4 1813 1 1 25 LEU H H -1.027 2.627 -0.326 1.00 . A A . 24 LEU H 1 1 4 1814 1 1 25 LEU HA H 1.244 1.346 -1.334 1.00 . A A . 24 LEU HA 1 1 4 1815 1 1 25 LEU HB2 H -0.906 3.001 -2.564 1.00 . A A . 24 LEU HB2 1 1 4 1816 1 1 25 LEU HB3 H 0.530 2.676 -3.516 1.00 . A A . 24 LEU HB3 1 1 4 1817 1 1 25 LEU HD11 H 0.882 0.496 -4.526 1.00 . A A . 24 LEU HD11 1 1 4 1818 1 1 25 LEU HD12 H 0.008 -0.910 -3.913 1.00 . A A . 24 LEU HD12 1 1 4 1819 1 1 25 LEU HD13 H 1.183 -0.087 -2.888 1.00 . A A . 24 LEU HD13 1 1 4 1820 1 1 25 LEU HD21 H -0.712 0.178 -1.146 1.00 . A A . 24 LEU HD21 1 1 4 1821 1 1 25 LEU HD22 H -1.764 -0.663 -2.283 1.00 . A A . 24 LEU HD22 1 1 4 1822 1 1 25 LEU HD23 H -2.220 0.925 -1.666 1.00 . A A . 24 LEU HD23 1 1 4 1823 1 1 25 LEU HG H -1.380 1.117 -3.927 1.00 . A A . 24 LEU HG 1 1 4 1824 1 1 25 LEU N N -0.056 2.504 -0.230 1.00 . A A . 24 LEU N 1 1 4 1825 1 1 25 LEU O O 2.962 3.086 -1.891 1.00 . A A . 24 LEU O 1 1 4 1826 1 1 26 ALA C C 3.563 5.424 -0.241 1.00 . A A . 25 ALA C 1 1 4 1827 1 1 26 ALA CA C 2.415 5.702 -1.203 1.00 . A A . 25 ALA CA 1 1 4 1828 1 1 26 ALA CB C 1.719 7.004 -0.849 1.00 . A A . 25 ALA CB 1 1 4 1829 1 1 26 ALA H H 0.532 4.778 -0.936 1.00 . A A . 25 ALA H 1 1 4 1830 1 1 26 ALA HA H 2.811 5.791 -2.204 1.00 . A A . 25 ALA HA 1 1 4 1831 1 1 26 ALA HB1 H 2.428 7.816 -0.899 1.00 . A A . 25 ALA HB1 1 1 4 1832 1 1 26 ALA HB2 H 1.320 6.935 0.152 1.00 . A A . 25 ALA HB2 1 1 4 1833 1 1 26 ALA HB3 H 0.915 7.183 -1.546 1.00 . A A . 25 ALA HB3 1 1 4 1834 1 1 26 ALA N N 1.465 4.604 -1.192 1.00 . A A . 25 ALA N 1 1 4 1835 1 1 26 ALA O O 4.716 5.736 -0.528 1.00 . A A . 25 ALA O 1 1 4 1836 1 1 27 LYS C C 5.145 3.333 1.320 1.00 . A A . 26 LYS C 1 1 4 1837 1 1 27 LYS CA C 4.248 4.433 1.875 1.00 . A A . 26 LYS CA 1 1 4 1838 1 1 27 LYS CB C 3.581 3.955 3.167 1.00 . A A . 26 LYS CB 1 1 4 1839 1 1 27 LYS CD C 2.141 4.495 5.148 1.00 . A A . 26 LYS CD 1 1 4 1840 1 1 27 LYS CE C 1.278 5.545 5.824 1.00 . A A . 26 LYS CE 1 1 4 1841 1 1 27 LYS CG C 2.752 5.021 3.861 1.00 . A A . 26 LYS CG 1 1 4 1842 1 1 27 LYS H H 2.299 4.598 1.071 1.00 . A A . 26 LYS H 1 1 4 1843 1 1 27 LYS HA H 4.847 5.303 2.086 1.00 . A A . 26 LYS HA 1 1 4 1844 1 1 27 LYS HB2 H 2.933 3.122 2.939 1.00 . A A . 26 LYS HB2 1 1 4 1845 1 1 27 LYS HB3 H 4.347 3.623 3.851 1.00 . A A . 26 LYS HB3 1 1 4 1846 1 1 27 LYS HD2 H 1.532 3.634 4.921 1.00 . A A . 26 LYS HD2 1 1 4 1847 1 1 27 LYS HD3 H 2.936 4.208 5.821 1.00 . A A . 26 LYS HD3 1 1 4 1848 1 1 27 LYS HE2 H 1.876 6.423 6.001 1.00 . A A . 26 LYS HE2 1 1 4 1849 1 1 27 LYS HE3 H 0.458 5.795 5.168 1.00 . A A . 26 LYS HE3 1 1 4 1850 1 1 27 LYS HG2 H 3.384 5.865 4.092 1.00 . A A . 26 LYS HG2 1 1 4 1851 1 1 27 LYS HG3 H 1.959 5.335 3.198 1.00 . A A . 26 LYS HG3 1 1 4 1852 1 1 27 LYS HZ1 H 1.504 4.910 7.800 1.00 . A A . 26 LYS HZ1 1 1 4 1853 1 1 27 LYS HZ2 H 0.223 4.169 6.984 1.00 . A A . 26 LYS HZ2 1 1 4 1854 1 1 27 LYS HZ3 H 0.074 5.767 7.515 1.00 . A A . 26 LYS HZ3 1 1 4 1855 1 1 27 LYS N N 3.240 4.808 0.892 1.00 . A A . 26 LYS N 1 1 4 1856 1 1 27 LYS NZ N 0.731 5.063 7.121 1.00 . A A . 26 LYS NZ 1 1 4 1857 1 1 27 LYS O O 6.357 3.326 1.542 1.00 . A A . 26 LYS O 1 1 4 1858 1 1 28 4PH C33 C 6.691 -3.866 -3.604 1.00 . A A . 27 4PH C33 1 1 4 1859 1 1 28 4PH H33 H 7.550 -3.463 -4.119 1.00 . A A . 27 4PH H33 1 1 4 1860 1 1 28 4PH H33A H 6.999 -4.677 -2.962 1.00 . A A . 27 4PH H33A 1 1 4 1861 1 1 28 4PH H33B H 5.978 -4.225 -4.333 1.00 . A A . 27 4PH H33B 1 1 4 1862 1 1 29 GLN C C 7.430 3.952 -2.850 1.00 . A A . 28 GLN C 1 1 4 1863 1 1 29 GLN CA C 6.261 3.054 -3.242 1.00 . A A . 28 GLN CA 1 1 4 1864 1 1 29 GLN CB C 5.305 3.819 -4.166 1.00 . A A . 28 GLN CB 1 1 4 1865 1 1 29 GLN CD C 3.172 3.784 -5.524 1.00 . A A . 28 GLN CD 1 1 4 1866 1 1 29 GLN CG C 4.194 2.960 -4.763 1.00 . A A . 28 GLN CG 1 1 4 1867 1 1 29 GLN H H 4.612 2.817 -1.933 1.00 . A A . 28 GLN H 1 1 4 1868 1 1 29 GLN HA H 6.647 2.196 -3.770 1.00 . A A . 28 GLN HA 1 1 4 1869 1 1 29 GLN HB2 H 4.846 4.620 -3.604 1.00 . A A . 28 GLN HB2 1 1 4 1870 1 1 29 GLN HB3 H 5.878 4.248 -4.978 1.00 . A A . 28 GLN HB3 1 1 4 1871 1 1 29 GLN HE21 H 2.776 2.254 -6.722 1.00 . A A . 28 GLN HE21 1 1 4 1872 1 1 29 GLN HE22 H 1.879 3.695 -7.029 1.00 . A A . 28 GLN HE22 1 1 4 1873 1 1 29 GLN HG2 H 4.632 2.243 -5.443 1.00 . A A . 28 GLN HG2 1 1 4 1874 1 1 29 GLN HG3 H 3.689 2.433 -3.967 1.00 . A A . 28 GLN HG3 1 1 4 1875 1 1 29 GLN N N 5.556 2.566 -2.063 1.00 . A A . 28 GLN N 1 1 4 1876 1 1 29 GLN NE2 N 2.547 3.185 -6.525 1.00 . A A . 28 GLN NE2 1 1 4 1877 1 1 29 GLN O O 8.517 3.865 -3.426 1.00 . A A . 28 GLN O 1 1 4 1878 1 1 29 GLN OE1 O 2.939 4.952 -5.209 1.00 . A A . 28 GLN OE1 1 1 4 1879 1 1 30 LYS C C 9.388 5.030 -0.761 1.00 . A A . 29 LYS C 1 1 4 1880 1 1 30 LYS CA C 8.205 5.750 -1.400 1.00 . A A . 29 LYS CA 1 1 4 1881 1 1 30 LYS CB C 7.580 6.729 -0.401 1.00 . A A . 29 LYS CB 1 1 4 1882 1 1 30 LYS CD C 7.841 8.771 1.048 1.00 . A A . 29 LYS CD 1 1 4 1883 1 1 30 LYS CE C 6.691 9.509 0.374 1.00 . A A . 29 LYS CE 1 1 4 1884 1 1 30 LYS CG C 8.533 7.802 0.100 1.00 . A A . 29 LYS CG 1 1 4 1885 1 1 30 LYS H H 6.320 4.793 -1.418 1.00 . A A . 29 LYS H 1 1 4 1886 1 1 30 LYS HA H 8.555 6.301 -2.260 1.00 . A A . 29 LYS HA 1 1 4 1887 1 1 30 LYS HB2 H 6.742 7.216 -0.875 1.00 . A A . 29 LYS HB2 1 1 4 1888 1 1 30 LYS HB3 H 7.222 6.171 0.452 1.00 . A A . 29 LYS HB3 1 1 4 1889 1 1 30 LYS HD2 H 7.453 8.218 1.890 1.00 . A A . 29 LYS HD2 1 1 4 1890 1 1 30 LYS HD3 H 8.565 9.495 1.397 1.00 . A A . 29 LYS HD3 1 1 4 1891 1 1 30 LYS HE2 H 5.975 8.784 0.017 1.00 . A A . 29 LYS HE2 1 1 4 1892 1 1 30 LYS HE3 H 6.216 10.147 1.103 1.00 . A A . 29 LYS HE3 1 1 4 1893 1 1 30 LYS HG2 H 9.350 7.328 0.620 1.00 . A A . 29 LYS HG2 1 1 4 1894 1 1 30 LYS HG3 H 8.913 8.350 -0.746 1.00 . A A . 29 LYS HG3 1 1 4 1895 1 1 30 LYS HZ1 H 7.571 9.743 -1.508 1.00 . A A . 29 LYS HZ1 1 1 4 1896 1 1 30 LYS HZ2 H 7.855 11.030 -0.453 1.00 . A A . 29 LYS HZ2 1 1 4 1897 1 1 30 LYS HZ3 H 6.341 10.856 -1.181 1.00 . A A . 29 LYS HZ3 1 1 4 1898 1 1 30 LYS N N 7.198 4.801 -1.857 1.00 . A A . 29 LYS N 1 1 4 1899 1 1 30 LYS NZ N 7.147 10.341 -0.771 1.00 . A A . 29 LYS NZ 1 1 4 1900 1 1 30 LYS O O 10.545 5.401 -0.974 1.00 . A A . 29 LYS O 1 1 4 1901 1 1 31 ASP C C 10.839 2.274 -0.208 1.00 . A A . 30 ASP C 1 1 4 1902 1 1 31 ASP CA C 10.144 3.266 0.720 1.00 . A A . 30 ASP CA 1 1 4 1903 1 1 31 ASP CB C 9.577 2.543 1.948 1.00 . A A . 30 ASP CB 1 1 4 1904 1 1 31 ASP CG C 10.663 1.974 2.838 1.00 . A A . 30 ASP CG 1 1 4 1905 1 1 31 ASP H H 8.159 3.719 0.116 1.00 . A A . 30 ASP H 1 1 4 1906 1 1 31 ASP HA H 10.876 3.988 1.052 1.00 . A A . 30 ASP HA 1 1 4 1907 1 1 31 ASP HB2 H 8.991 3.237 2.533 1.00 . A A . 30 ASP HB2 1 1 4 1908 1 1 31 ASP HB3 H 8.943 1.731 1.622 1.00 . A A . 30 ASP HB3 1 1 4 1909 1 1 31 ASP N N 9.097 3.995 0.014 1.00 . A A . 30 ASP N 1 1 4 1910 1 1 31 ASP O O 12.046 2.072 -0.116 1.00 . A A . 30 ASP O 1 1 4 1911 1 1 31 ASP OD1 O 11.483 2.749 3.359 1.00 . A A . 30 ASP OD1 1 1 4 1912 1 1 31 ASP OD2 O 10.711 0.738 3.004 1.00 . A A . 30 ASP OD2 1 1 4 1913 1 1 32 LEU C C 11.651 1.388 -2.975 1.00 . A A . 31 LEU C 1 1 4 1914 1 1 32 LEU CA C 10.610 0.717 -2.078 1.00 . A A . 31 LEU CA 1 1 4 1915 1 1 32 LEU CB C 9.461 0.132 -2.920 1.00 . A A . 31 LEU CB 1 1 4 1916 1 1 32 LEU CD1 C 10.733 -1.220 -4.631 1.00 . A A . 31 LEU CD1 1 1 4 1917 1 1 32 LEU CD2 C 10.083 -2.251 -2.454 1.00 . A A . 31 LEU CD2 1 1 4 1918 1 1 32 LEU CG C 9.687 -1.258 -3.532 1.00 . A A . 31 LEU CG 1 1 4 1919 1 1 32 LEU H H 9.113 1.887 -1.146 1.00 . A A . 31 LEU H 1 1 4 1920 1 1 32 LEU HA H 11.086 -0.074 -1.524 1.00 . A A . 31 LEU HA 1 1 4 1921 1 1 32 LEU HB2 H 8.581 0.080 -2.293 1.00 . A A . 31 LEU HB2 1 1 4 1922 1 1 32 LEU HB3 H 9.258 0.821 -3.725 1.00 . A A . 31 LEU HB3 1 1 4 1923 1 1 32 LEU HD11 H 10.890 -2.218 -5.013 1.00 . A A . 31 LEU HD11 1 1 4 1924 1 1 32 LEU HD12 H 11.660 -0.837 -4.231 1.00 . A A . 31 LEU HD12 1 1 4 1925 1 1 32 LEU HD13 H 10.392 -0.578 -5.431 1.00 . A A . 31 LEU HD13 1 1 4 1926 1 1 32 LEU HD21 H 10.111 -3.244 -2.874 1.00 . A A . 31 LEU HD21 1 1 4 1927 1 1 32 LEU HD22 H 9.358 -2.217 -1.652 1.00 . A A . 31 LEU HD22 1 1 4 1928 1 1 32 LEU HD23 H 11.059 -1.995 -2.070 1.00 . A A . 31 LEU HD23 1 1 4 1929 1 1 32 LEU HG H 8.761 -1.599 -3.972 1.00 . A A . 31 LEU HG 1 1 4 1930 1 1 32 LEU N N 10.074 1.681 -1.120 1.00 . A A . 31 LEU N 1 1 4 1931 1 1 32 LEU O O 12.697 0.813 -3.269 1.00 . A A . 31 LEU O 1 1 4 1932 1 1 33 ALA C C 13.577 3.676 -3.546 1.00 . A A . 32 ALA C 1 1 4 1933 1 1 33 ALA CA C 12.257 3.373 -4.249 1.00 . A A . 32 ALA CA 1 1 4 1934 1 1 33 ALA CB C 11.586 4.666 -4.677 1.00 . A A . 32 ALA CB 1 1 4 1935 1 1 33 ALA H H 10.506 3.014 -3.121 1.00 . A A . 32 ALA H 1 1 4 1936 1 1 33 ALA HA H 12.454 2.786 -5.130 1.00 . A A . 32 ALA HA 1 1 4 1937 1 1 33 ALA HB1 H 10.658 4.439 -5.182 1.00 . A A . 32 ALA HB1 1 1 4 1938 1 1 33 ALA HB2 H 12.238 5.208 -5.348 1.00 . A A . 32 ALA HB2 1 1 4 1939 1 1 33 ALA HB3 H 11.384 5.270 -3.806 1.00 . A A . 32 ALA HB3 1 1 4 1940 1 1 33 ALA N N 11.358 2.612 -3.391 1.00 . A A . 32 ALA N 1 1 4 1941 1 1 33 ALA O O 14.631 3.760 -4.180 1.00 . A A . 32 ALA O 1 1 4 1942 1 1 34 ASP C C 15.432 2.888 -1.026 1.00 . A A . 33 ASP C 1 1 4 1943 1 1 34 ASP CA C 14.687 4.157 -1.434 1.00 . A A . 33 ASP CA 1 1 4 1944 1 1 34 ASP CB C 14.276 4.956 -0.192 1.00 . A A . 33 ASP CB 1 1 4 1945 1 1 34 ASP CG C 15.442 5.259 0.727 1.00 . A A . 33 ASP CG 1 1 4 1946 1 1 34 ASP H H 12.638 3.755 -1.794 1.00 . A A . 33 ASP H 1 1 4 1947 1 1 34 ASP HA H 15.342 4.762 -2.039 1.00 . A A . 33 ASP HA 1 1 4 1948 1 1 34 ASP HB2 H 13.839 5.893 -0.504 1.00 . A A . 33 ASP HB2 1 1 4 1949 1 1 34 ASP HB3 H 13.543 4.392 0.365 1.00 . A A . 33 ASP HB3 1 1 4 1950 1 1 34 ASP N N 13.508 3.842 -2.235 1.00 . A A . 33 ASP N 1 1 4 1951 1 1 34 ASP O O 16.648 2.901 -0.839 1.00 . A A . 33 ASP O 1 1 4 1952 1 1 34 ASP OD1 O 16.338 6.029 0.330 1.00 . A A . 33 ASP OD1 1 1 4 1953 1 1 34 ASP OD2 O 15.453 4.745 1.866 1.00 . A A . 33 ASP OD2 1 1 4 1954 1 1 35 4PH C33 C 16.032 -5.173 2.446 1.00 . A A . 34 4PH C33 1 1 4 1955 1 1 35 4PH H33 H 15.380 -5.983 2.162 1.00 . A A . 34 4PH H33 1 1 4 1956 1 1 35 4PH H33A H 17.038 -5.383 2.117 1.00 . A A . 34 4PH H33A 1 1 4 1957 1 1 35 4PH H33B H 16.015 -5.064 3.522 1.00 . A A . 34 4PH H33B 1 1 4 1958 1 1 36 NH2 HN1 H 17.691 -0.101 -0.682 1.00 . A A . 35 NH2 HN1 1 1 4 1959 1 1 36 NH2 HN2 H 17.731 -0.842 -2.242 1.00 . A A . 35 NH2 HN2 1 1 4 1960 1 1 36 NH2 N N 17.258 -0.394 -1.512 1.00 . A A . 35 NH2 N 1 1 5 1961 1 1 1 ACE C C 13.400 -4.276 6.084 1.00 . A A . 0 ACE C 1 1 5 1962 1 1 1 ACE CH3 C 14.236 -3.162 5.522 1.00 . A A . 0 ACE CH3 1 1 5 1963 1 1 1 ACE H1 H 14.704 -2.632 6.344 1.00 . A A . 0 ACE H1 1 1 5 1964 1 1 1 ACE H2 H 13.609 -2.488 4.970 1.00 . A A . 0 ACE H2 1 1 5 1965 1 1 1 ACE H3 H 14.979 -3.592 4.858 1.00 . A A . 0 ACE H3 1 1 5 1966 1 1 1 ACE O O 12.942 -4.212 7.226 1.00 . A A . 0 ACE O 1 1 5 1967 1 1 2 PRO C C 11.065 -4.682 4.170 1.00 . A A . 1 PRO C 1 1 5 1968 1 1 2 PRO CA C 12.483 -5.231 4.009 1.00 . A A . 1 PRO CA 1 1 5 1969 1 1 2 PRO CB C 12.444 -6.681 3.501 1.00 . A A . 1 PRO CB 1 1 5 1970 1 1 2 PRO CD C 13.617 -6.705 5.580 1.00 . A A . 1 PRO CD 1 1 5 1971 1 1 2 PRO CG C 12.733 -7.530 4.691 1.00 . A A . 1 PRO CG 1 1 5 1972 1 1 2 PRO HA H 13.030 -4.617 3.309 1.00 . A A . 1 PRO HA 1 1 5 1973 1 1 2 PRO HB2 H 11.462 -6.901 3.098 1.00 . A A . 1 PRO HB2 1 1 5 1974 1 1 2 PRO HB3 H 13.201 -6.832 2.748 1.00 . A A . 1 PRO HB3 1 1 5 1975 1 1 2 PRO HD2 H 13.450 -6.951 6.618 1.00 . A A . 1 PRO HD2 1 1 5 1976 1 1 2 PRO HD3 H 14.658 -6.842 5.319 1.00 . A A . 1 PRO HD3 1 1 5 1977 1 1 2 PRO HG2 H 11.807 -7.777 5.198 1.00 . A A . 1 PRO HG2 1 1 5 1978 1 1 2 PRO HG3 H 13.249 -8.428 4.385 1.00 . A A . 1 PRO HG3 1 1 5 1979 1 1 2 PRO N N 13.185 -5.331 5.292 1.00 . A A . 1 PRO N 1 1 5 1980 1 1 2 PRO O O 10.310 -5.146 5.031 1.00 . A A . 1 PRO O 1 1 5 1981 1 1 3 PRO C C 8.251 -4.154 3.265 1.00 . A A . 2 PRO C 1 1 5 1982 1 1 3 PRO CA C 9.348 -3.092 3.353 1.00 . A A . 2 PRO CA 1 1 5 1983 1 1 3 PRO CB C 9.338 -2.234 2.084 1.00 . A A . 2 PRO CB 1 1 5 1984 1 1 3 PRO CD C 11.590 -2.999 2.388 1.00 . A A . 2 PRO CD 1 1 5 1985 1 1 3 PRO CG C 10.757 -1.868 1.845 1.00 . A A . 2 PRO CG 1 1 5 1986 1 1 3 PRO HA H 9.183 -2.470 4.219 1.00 . A A . 2 PRO HA 1 1 5 1987 1 1 3 PRO HB2 H 8.945 -2.813 1.257 1.00 . A A . 2 PRO HB2 1 1 5 1988 1 1 3 PRO HB3 H 8.746 -1.344 2.234 1.00 . A A . 2 PRO HB3 1 1 5 1989 1 1 3 PRO HD2 H 11.872 -3.675 1.594 1.00 . A A . 2 PRO HD2 1 1 5 1990 1 1 3 PRO HD3 H 12.471 -2.613 2.884 1.00 . A A . 2 PRO HD3 1 1 5 1991 1 1 3 PRO HG2 H 10.924 -1.749 0.782 1.00 . A A . 2 PRO HG2 1 1 5 1992 1 1 3 PRO HG3 H 10.989 -0.953 2.366 1.00 . A A . 2 PRO HG3 1 1 5 1993 1 1 3 PRO N N 10.698 -3.673 3.356 1.00 . A A . 2 PRO N 1 1 5 1994 1 1 3 PRO O O 8.412 -5.167 2.578 1.00 . A A . 2 PRO O 1 1 5 1995 1 1 4 THR C C 5.026 -4.428 2.841 1.00 . A A . 3 THR C 1 1 5 1996 1 1 4 THR CA C 6.020 -4.840 3.921 1.00 . A A . 3 THR CA 1 1 5 1997 1 1 4 THR CB C 5.312 -4.898 5.290 1.00 . A A . 3 THR CB 1 1 5 1998 1 1 4 THR CG2 C 6.108 -5.733 6.283 1.00 . A A . 3 THR CG2 1 1 5 1999 1 1 4 THR H H 7.069 -3.098 4.485 1.00 . A A . 3 THR H 1 1 5 2000 1 1 4 THR HA H 6.400 -5.826 3.691 1.00 . A A . 3 THR HA 1 1 5 2001 1 1 4 THR HB H 4.343 -5.357 5.155 1.00 . A A . 3 THR HB 1 1 5 2002 1 1 4 THR HG1 H 5.646 -3.465 6.614 1.00 . A A . 3 THR HG1 1 1 5 2003 1 1 4 THR HG21 H 5.579 -5.774 7.224 1.00 . A A . 3 THR HG21 1 1 5 2004 1 1 4 THR HG22 H 7.079 -5.286 6.437 1.00 . A A . 3 THR HG22 1 1 5 2005 1 1 4 THR HG23 H 6.229 -6.732 5.895 1.00 . A A . 3 THR HG23 1 1 5 2006 1 1 4 THR N N 7.143 -3.920 3.953 1.00 . A A . 3 THR N 1 1 5 2007 1 1 4 THR O O 4.447 -3.342 2.898 1.00 . A A . 3 THR O 1 1 5 2008 1 1 4 THR OG1 O 5.130 -3.571 5.807 1.00 . A A . 3 THR OG1 1 1 5 2009 1 1 5 LYS C C 2.498 -5.270 1.140 1.00 . A A . 4 LYS C 1 1 5 2010 1 1 5 LYS CA C 3.944 -4.975 0.747 1.00 . A A . 4 LYS CA 1 1 5 2011 1 1 5 LYS CB C 4.320 -5.756 -0.522 1.00 . A A . 4 LYS CB 1 1 5 2012 1 1 5 LYS CD C 4.311 -7.908 -1.797 1.00 . A A . 4 LYS CD 1 1 5 2013 1 1 5 LYS CE C 3.846 -9.351 -1.825 1.00 . A A . 4 LYS CE 1 1 5 2014 1 1 5 LYS CG C 3.961 -7.229 -0.484 1.00 . A A . 4 LYS CG 1 1 5 2015 1 1 5 LYS H H 5.349 -6.125 1.839 1.00 . A A . 4 LYS H 1 1 5 2016 1 1 5 LYS HA H 4.031 -3.919 0.544 1.00 . A A . 4 LYS HA 1 1 5 2017 1 1 5 LYS HB2 H 3.814 -5.311 -1.366 1.00 . A A . 4 LYS HB2 1 1 5 2018 1 1 5 LYS HB3 H 5.388 -5.677 -0.675 1.00 . A A . 4 LYS HB3 1 1 5 2019 1 1 5 LYS HD2 H 3.836 -7.374 -2.604 1.00 . A A . 4 LYS HD2 1 1 5 2020 1 1 5 LYS HD3 H 5.383 -7.882 -1.928 1.00 . A A . 4 LYS HD3 1 1 5 2021 1 1 5 LYS HE2 H 4.362 -9.899 -1.050 1.00 . A A . 4 LYS HE2 1 1 5 2022 1 1 5 LYS HE3 H 2.783 -9.377 -1.636 1.00 . A A . 4 LYS HE3 1 1 5 2023 1 1 5 LYS HG2 H 4.508 -7.703 0.316 1.00 . A A . 4 LYS HG2 1 1 5 2024 1 1 5 LYS HG3 H 2.897 -7.324 -0.310 1.00 . A A . 4 LYS HG3 1 1 5 2025 1 1 5 LYS HZ1 H 5.143 -9.991 -3.330 1.00 . A A . 4 LYS HZ1 1 1 5 2026 1 1 5 LYS HZ2 H 3.639 -9.471 -3.898 1.00 . A A . 4 LYS HZ2 1 1 5 2027 1 1 5 LYS HZ3 H 3.778 -10.974 -3.135 1.00 . A A . 4 LYS HZ3 1 1 5 2028 1 1 5 LYS N N 4.852 -5.280 1.843 1.00 . A A . 4 LYS N 1 1 5 2029 1 1 5 LYS NZ N 4.121 -9.993 -3.137 1.00 . A A . 4 LYS NZ 1 1 5 2030 1 1 5 LYS O O 2.223 -6.217 1.876 1.00 . A A . 4 LYS O 1 1 5 2031 1 1 6 PRO C C -0.548 -5.554 -0.038 1.00 . A A . 5 PRO C 1 1 5 2032 1 1 6 PRO CA C 0.139 -4.603 0.942 1.00 . A A . 5 PRO CA 1 1 5 2033 1 1 6 PRO CB C -0.394 -3.186 0.765 1.00 . A A . 5 PRO CB 1 1 5 2034 1 1 6 PRO CD C 1.837 -3.231 -0.140 1.00 . A A . 5 PRO CD 1 1 5 2035 1 1 6 PRO CG C 0.495 -2.554 -0.248 1.00 . A A . 5 PRO CG 1 1 5 2036 1 1 6 PRO HA H -0.041 -4.935 1.953 1.00 . A A . 5 PRO HA 1 1 5 2037 1 1 6 PRO HB2 H -1.413 -3.222 0.414 1.00 . A A . 5 PRO HB2 1 1 5 2038 1 1 6 PRO HB3 H -0.336 -2.648 1.695 1.00 . A A . 5 PRO HB3 1 1 5 2039 1 1 6 PRO HD2 H 2.198 -3.502 -1.121 1.00 . A A . 5 PRO HD2 1 1 5 2040 1 1 6 PRO HD3 H 2.547 -2.584 0.358 1.00 . A A . 5 PRO HD3 1 1 5 2041 1 1 6 PRO HG2 H 0.085 -2.700 -1.237 1.00 . A A . 5 PRO HG2 1 1 5 2042 1 1 6 PRO HG3 H 0.598 -1.503 -0.036 1.00 . A A . 5 PRO HG3 1 1 5 2043 1 1 6 PRO N N 1.565 -4.434 0.672 1.00 . A A . 5 PRO N 1 1 5 2044 1 1 6 PRO O O 0.004 -5.897 -1.087 1.00 . A A . 5 PRO O 1 1 5 2045 1 1 7 THR C C -3.767 -6.091 -1.086 1.00 . A A . 6 THR C 1 1 5 2046 1 1 7 THR CA C -2.550 -6.841 -0.544 1.00 . A A . 6 THR CA 1 1 5 2047 1 1 7 THR CB C -2.997 -8.118 0.209 1.00 . A A . 6 THR CB 1 1 5 2048 1 1 7 THR CG2 C -3.763 -7.775 1.479 1.00 . A A . 6 THR CG2 1 1 5 2049 1 1 7 THR H H -2.125 -5.695 1.176 1.00 . A A . 6 THR H 1 1 5 2050 1 1 7 THR HA H -1.931 -7.139 -1.375 1.00 . A A . 6 THR HA 1 1 5 2051 1 1 7 THR HB H -2.113 -8.671 0.486 1.00 . A A . 6 THR HB 1 1 5 2052 1 1 7 THR HG1 H -3.249 -9.404 -1.270 1.00 . A A . 6 THR HG1 1 1 5 2053 1 1 7 THR HG21 H -3.120 -7.225 2.149 1.00 . A A . 6 THR HG21 1 1 5 2054 1 1 7 THR HG22 H -4.092 -8.685 1.959 1.00 . A A . 6 THR HG22 1 1 5 2055 1 1 7 THR HG23 H -4.622 -7.170 1.228 1.00 . A A . 6 THR HG23 1 1 5 2056 1 1 7 THR N N -1.756 -5.975 0.312 1.00 . A A . 6 THR N 1 1 5 2057 1 1 7 THR O O -4.367 -5.272 -0.386 1.00 . A A . 6 THR O 1 1 5 2058 1 1 7 THR OG1 O -3.811 -8.943 -0.636 1.00 . A A . 6 THR OG1 1 1 5 2059 1 1 8 LYS C C -6.550 -5.979 -2.297 1.00 . A A . 7 LYS C 1 1 5 2060 1 1 8 LYS CA C -5.227 -5.699 -3.009 1.00 . A A . 7 LYS CA 1 1 5 2061 1 1 8 LYS CB C -5.315 -6.146 -4.471 1.00 . A A . 7 LYS CB 1 1 5 2062 1 1 8 LYS CD C -4.218 -4.104 -5.456 1.00 . A A . 7 LYS CD 1 1 5 2063 1 1 8 LYS CE C -3.132 -3.575 -6.382 1.00 . A A . 7 LYS CE 1 1 5 2064 1 1 8 LYS CG C -4.181 -5.623 -5.344 1.00 . A A . 7 LYS CG 1 1 5 2065 1 1 8 LYS H H -3.583 -7.027 -2.840 1.00 . A A . 7 LYS H 1 1 5 2066 1 1 8 LYS HA H -5.045 -4.637 -2.985 1.00 . A A . 7 LYS HA 1 1 5 2067 1 1 8 LYS HB2 H -5.297 -7.224 -4.507 1.00 . A A . 7 LYS HB2 1 1 5 2068 1 1 8 LYS HB3 H -6.249 -5.796 -4.884 1.00 . A A . 7 LYS HB3 1 1 5 2069 1 1 8 LYS HD2 H -5.182 -3.805 -5.840 1.00 . A A . 7 LYS HD2 1 1 5 2070 1 1 8 LYS HD3 H -4.075 -3.679 -4.473 1.00 . A A . 7 LYS HD3 1 1 5 2071 1 1 8 LYS HE2 H -3.192 -2.497 -6.405 1.00 . A A . 7 LYS HE2 1 1 5 2072 1 1 8 LYS HE3 H -2.170 -3.871 -5.992 1.00 . A A . 7 LYS HE3 1 1 5 2073 1 1 8 LYS HG2 H -3.238 -5.919 -4.909 1.00 . A A . 7 LYS HG2 1 1 5 2074 1 1 8 LYS HG3 H -4.274 -6.051 -6.330 1.00 . A A . 7 LYS HG3 1 1 5 2075 1 1 8 LYS HZ1 H -3.134 -5.125 -7.782 1.00 . A A . 7 LYS HZ1 1 1 5 2076 1 1 8 LYS HZ2 H -2.562 -3.653 -8.390 1.00 . A A . 7 LYS HZ2 1 1 5 2077 1 1 8 LYS HZ3 H -4.218 -3.878 -8.139 1.00 . A A . 7 LYS HZ3 1 1 5 2078 1 1 8 LYS N N -4.105 -6.359 -2.344 1.00 . A A . 7 LYS N 1 1 5 2079 1 1 8 LYS NZ N -3.271 -4.094 -7.768 1.00 . A A . 7 LYS NZ 1 1 5 2080 1 1 8 LYS O O -6.961 -7.133 -2.170 1.00 . A A . 7 LYS O 1 1 5 2081 1 1 9 PRO C C -9.601 -5.568 -2.099 1.00 . A A . 8 PRO C 1 1 5 2082 1 1 9 PRO CA C -8.526 -5.041 -1.154 1.00 . A A . 8 PRO CA 1 1 5 2083 1 1 9 PRO CB C -8.860 -3.604 -0.728 1.00 . A A . 8 PRO CB 1 1 5 2084 1 1 9 PRO CD C -6.750 -3.524 -1.848 1.00 . A A . 8 PRO CD 1 1 5 2085 1 1 9 PRO CG C -7.576 -2.852 -0.787 1.00 . A A . 8 PRO CG 1 1 5 2086 1 1 9 PRO HA H -8.474 -5.675 -0.282 1.00 . A A . 8 PRO HA 1 1 5 2087 1 1 9 PRO HB2 H -9.583 -3.177 -1.415 1.00 . A A . 8 PRO HB2 1 1 5 2088 1 1 9 PRO HB3 H -9.252 -3.598 0.277 1.00 . A A . 8 PRO HB3 1 1 5 2089 1 1 9 PRO HD2 H -6.940 -3.079 -2.816 1.00 . A A . 8 PRO HD2 1 1 5 2090 1 1 9 PRO HD3 H -5.698 -3.462 -1.600 1.00 . A A . 8 PRO HD3 1 1 5 2091 1 1 9 PRO HG2 H -7.770 -1.821 -1.052 1.00 . A A . 8 PRO HG2 1 1 5 2092 1 1 9 PRO HG3 H -7.068 -2.907 0.165 1.00 . A A . 8 PRO HG3 1 1 5 2093 1 1 9 PRO N N -7.220 -4.921 -1.809 1.00 . A A . 8 PRO N 1 1 5 2094 1 1 9 PRO O O -9.729 -5.100 -3.233 1.00 . A A . 8 PRO O 1 1 5 2095 1 1 10 GLY C C -12.789 -6.531 -1.955 1.00 . A A . 9 GLY C 1 1 5 2096 1 1 10 GLY CA C -11.455 -7.071 -2.423 1.00 . A A . 9 GLY CA 1 1 5 2097 1 1 10 GLY H H -10.167 -6.929 -0.752 1.00 . A A . 9 GLY H 1 1 5 2098 1 1 10 GLY HA2 H -11.307 -6.793 -3.455 1.00 . A A . 9 GLY HA2 1 1 5 2099 1 1 10 GLY HA3 H -11.465 -8.148 -2.348 1.00 . A A . 9 GLY HA3 1 1 5 2100 1 1 10 GLY N N -10.357 -6.551 -1.637 1.00 . A A . 9 GLY N 1 1 5 2101 1 1 10 GLY O O -13.404 -5.703 -2.628 1.00 . A A . 9 GLY O 1 1 5 2102 1 1 11 ASP C C -14.337 -5.233 0.529 1.00 . A A . 10 ASP C 1 1 5 2103 1 1 11 ASP CA C -14.497 -6.551 -0.218 1.00 . A A . 10 ASP CA 1 1 5 2104 1 1 11 ASP CB C -15.058 -7.621 0.726 1.00 . A A . 10 ASP CB 1 1 5 2105 1 1 11 ASP CG C -14.283 -7.730 2.025 1.00 . A A . 10 ASP CG 1 1 5 2106 1 1 11 ASP H H -12.674 -7.632 -0.291 1.00 . A A . 10 ASP H 1 1 5 2107 1 1 11 ASP HA H -15.189 -6.404 -1.035 1.00 . A A . 10 ASP HA 1 1 5 2108 1 1 11 ASP HB2 H -16.082 -7.379 0.961 1.00 . A A . 10 ASP HB2 1 1 5 2109 1 1 11 ASP HB3 H -15.025 -8.579 0.230 1.00 . A A . 10 ASP HB3 1 1 5 2110 1 1 11 ASP N N -13.221 -6.982 -0.784 1.00 . A A . 10 ASP N 1 1 5 2111 1 1 11 ASP O O -15.250 -4.411 0.565 1.00 . A A . 10 ASP O 1 1 5 2112 1 1 11 ASP OD1 O -14.843 -7.389 3.089 1.00 . A A . 10 ASP OD1 1 1 5 2113 1 1 11 ASP OD2 O -13.106 -8.146 1.988 1.00 . A A . 10 ASP OD2 1 1 5 2114 1 1 12 ASN C C -12.378 -2.708 0.918 1.00 . A A . 11 ASN C 1 1 5 2115 1 1 12 ASN CA C -12.883 -3.801 1.855 1.00 . A A . 11 ASN CA 1 1 5 2116 1 1 12 ASN CB C -11.880 -4.054 2.990 1.00 . A A . 11 ASN CB 1 1 5 2117 1 1 12 ASN CG C -10.468 -4.326 2.503 1.00 . A A . 11 ASN CG 1 1 5 2118 1 1 12 ASN H H -12.469 -5.717 1.049 1.00 . A A . 11 ASN H 1 1 5 2119 1 1 12 ASN HA H -13.816 -3.470 2.284 1.00 . A A . 11 ASN HA 1 1 5 2120 1 1 12 ASN HB2 H -11.853 -3.188 3.634 1.00 . A A . 11 ASN HB2 1 1 5 2121 1 1 12 ASN HB3 H -12.211 -4.908 3.566 1.00 . A A . 11 ASN HB3 1 1 5 2122 1 1 12 ASN HD21 H -9.987 -2.411 2.712 1.00 . A A . 11 ASN HD21 1 1 5 2123 1 1 12 ASN HD22 H -8.723 -3.444 2.153 1.00 . A A . 11 ASN HD22 1 1 5 2124 1 1 12 ASN N N -13.162 -5.025 1.110 1.00 . A A . 11 ASN N 1 1 5 2125 1 1 12 ASN ND2 N -9.645 -3.289 2.446 1.00 . A A . 11 ASN ND2 1 1 5 2126 1 1 12 ASN O O -11.904 -1.663 1.362 1.00 . A A . 11 ASN O 1 1 5 2127 1 1 12 ASN OD1 O -10.118 -5.461 2.190 1.00 . A A . 11 ASN OD1 1 1 5 2128 1 1 13 ALA C C -13.036 -0.869 -1.568 1.00 . A A . 12 ALA C 1 1 5 2129 1 1 13 ALA CA C -12.051 -2.024 -1.409 1.00 . A A . 12 ALA CA 1 1 5 2130 1 1 13 ALA CB C -11.877 -2.747 -2.732 1.00 . A A . 12 ALA CB 1 1 5 2131 1 1 13 ALA H H -12.889 -3.812 -0.663 1.00 . A A . 12 ALA H 1 1 5 2132 1 1 13 ALA HA H -11.093 -1.629 -1.112 1.00 . A A . 12 ALA HA 1 1 5 2133 1 1 13 ALA HB1 H -11.199 -3.577 -2.602 1.00 . A A . 12 ALA HB1 1 1 5 2134 1 1 13 ALA HB2 H -11.478 -2.064 -3.468 1.00 . A A . 12 ALA HB2 1 1 5 2135 1 1 13 ALA HB3 H -12.836 -3.116 -3.067 1.00 . A A . 12 ALA HB3 1 1 5 2136 1 1 13 ALA N N -12.488 -2.965 -0.383 1.00 . A A . 12 ALA N 1 1 5 2137 1 1 13 ALA O O -13.088 -0.221 -2.614 1.00 . A A . 12 ALA O 1 1 5 2138 1 1 14 THR C C -14.014 1.813 -0.658 1.00 . A A . 13 THR C 1 1 5 2139 1 1 14 THR CA C -14.748 0.483 -0.508 1.00 . A A . 13 THR CA 1 1 5 2140 1 1 14 THR CB C -15.569 0.459 0.788 1.00 . A A . 13 THR CB 1 1 5 2141 1 1 14 THR CG2 C -16.776 -0.449 0.641 1.00 . A A . 13 THR CG2 1 1 5 2142 1 1 14 THR H H -13.731 -1.185 0.269 1.00 . A A . 13 THR H 1 1 5 2143 1 1 14 THR HA H -15.425 0.361 -1.340 1.00 . A A . 13 THR HA 1 1 5 2144 1 1 14 THR HB H -15.912 1.460 1.000 1.00 . A A . 13 THR HB 1 1 5 2145 1 1 14 THR HG1 H -14.279 0.741 2.258 1.00 . A A . 13 THR HG1 1 1 5 2146 1 1 14 THR HG21 H -16.446 -1.460 0.450 1.00 . A A . 13 THR HG21 1 1 5 2147 1 1 14 THR HG22 H -17.383 -0.109 -0.185 1.00 . A A . 13 THR HG22 1 1 5 2148 1 1 14 THR HG23 H -17.358 -0.425 1.548 1.00 . A A . 13 THR HG23 1 1 5 2149 1 1 14 THR N N -13.809 -0.619 -0.526 1.00 . A A . 13 THR N 1 1 5 2150 1 1 14 THR O O -12.986 2.026 -0.019 1.00 . A A . 13 THR O 1 1 5 2151 1 1 14 THR OG1 O -14.750 -0.006 1.872 1.00 . A A . 13 THR OG1 1 1 5 2152 1 1 15 PRO C C -13.127 4.680 -0.791 1.00 . A A . 14 PRO C 1 1 5 2153 1 1 15 PRO CA C -13.893 3.970 -1.910 1.00 . A A . 14 PRO CA 1 1 5 2154 1 1 15 PRO CB C -15.076 4.822 -2.354 1.00 . A A . 14 PRO CB 1 1 5 2155 1 1 15 PRO CD C -15.841 2.543 -2.205 1.00 . A A . 14 PRO CD 1 1 5 2156 1 1 15 PRO CG C -16.047 3.855 -2.933 1.00 . A A . 14 PRO CG 1 1 5 2157 1 1 15 PRO HA H -13.230 3.821 -2.748 1.00 . A A . 14 PRO HA 1 1 5 2158 1 1 15 PRO HB2 H -15.500 5.334 -1.500 1.00 . A A . 14 PRO HB2 1 1 5 2159 1 1 15 PRO HB3 H -14.769 5.533 -3.104 1.00 . A A . 14 PRO HB3 1 1 5 2160 1 1 15 PRO HD2 H -16.633 2.380 -1.489 1.00 . A A . 14 PRO HD2 1 1 5 2161 1 1 15 PRO HD3 H -15.799 1.724 -2.908 1.00 . A A . 14 PRO HD3 1 1 5 2162 1 1 15 PRO HG2 H -17.056 4.220 -2.779 1.00 . A A . 14 PRO HG2 1 1 5 2163 1 1 15 PRO HG3 H -15.851 3.726 -3.989 1.00 . A A . 14 PRO HG3 1 1 5 2164 1 1 15 PRO N N -14.542 2.708 -1.519 1.00 . A A . 14 PRO N 1 1 5 2165 1 1 15 PRO O O -12.004 5.143 -1.005 1.00 . A A . 14 PRO O 1 1 5 2166 1 1 16 GLU C C -11.839 4.830 1.988 1.00 . A A . 15 GLU C 1 1 5 2167 1 1 16 GLU CA C -13.122 5.504 1.496 1.00 . A A . 15 GLU CA 1 1 5 2168 1 1 16 GLU CB C -14.117 5.661 2.650 1.00 . A A . 15 GLU CB 1 1 5 2169 1 1 16 GLU CD C -16.303 6.637 3.453 1.00 . A A . 15 GLU CD 1 1 5 2170 1 1 16 GLU CG C -15.399 6.379 2.264 1.00 . A A . 15 GLU CG 1 1 5 2171 1 1 16 GLU H H -14.570 4.284 0.534 1.00 . A A . 15 GLU H 1 1 5 2172 1 1 16 GLU HA H -12.869 6.484 1.120 1.00 . A A . 15 GLU HA 1 1 5 2173 1 1 16 GLU HB2 H -14.382 4.683 3.014 1.00 . A A . 15 GLU HB2 1 1 5 2174 1 1 16 GLU HB3 H -13.643 6.216 3.446 1.00 . A A . 15 GLU HB3 1 1 5 2175 1 1 16 GLU HG2 H -15.145 7.327 1.813 1.00 . A A . 15 GLU HG2 1 1 5 2176 1 1 16 GLU HG3 H -15.932 5.772 1.549 1.00 . A A . 15 GLU HG3 1 1 5 2177 1 1 16 GLU N N -13.721 4.755 0.394 1.00 . A A . 15 GLU N 1 1 5 2178 1 1 16 GLU O O -10.812 5.488 2.176 1.00 . A A . 15 GLU O 1 1 5 2179 1 1 16 GLU OE1 O -16.913 5.675 3.960 1.00 . A A . 15 GLU OE1 1 1 5 2180 1 1 16 GLU OE2 O -16.421 7.804 3.883 1.00 . A A . 15 GLU OE2 1 1 5 2181 1 1 17 LYS C C -9.786 2.449 1.520 1.00 . A A . 16 LYS C 1 1 5 2182 1 1 17 LYS CA C -10.742 2.771 2.662 1.00 . A A . 16 LYS CA 1 1 5 2183 1 1 17 LYS CB C -11.191 1.486 3.367 1.00 . A A . 16 LYS CB 1 1 5 2184 1 1 17 LYS CD C -10.561 -0.373 4.932 1.00 . A A . 16 LYS CD 1 1 5 2185 1 1 17 LYS CE C -9.422 -1.051 5.670 1.00 . A A . 16 LYS CE 1 1 5 2186 1 1 17 LYS CG C -10.049 0.716 4.008 1.00 . A A . 16 LYS CG 1 1 5 2187 1 1 17 LYS H H -12.720 3.040 1.963 1.00 . A A . 16 LYS H 1 1 5 2188 1 1 17 LYS HA H -10.227 3.399 3.374 1.00 . A A . 16 LYS HA 1 1 5 2189 1 1 17 LYS HB2 H -11.900 1.743 4.143 1.00 . A A . 16 LYS HB2 1 1 5 2190 1 1 17 LYS HB3 H -11.673 0.840 2.646 1.00 . A A . 16 LYS HB3 1 1 5 2191 1 1 17 LYS HD2 H -11.233 0.068 5.653 1.00 . A A . 16 LYS HD2 1 1 5 2192 1 1 17 LYS HD3 H -11.090 -1.110 4.345 1.00 . A A . 16 LYS HD3 1 1 5 2193 1 1 17 LYS HE2 H -8.854 -1.640 4.965 1.00 . A A . 16 LYS HE2 1 1 5 2194 1 1 17 LYS HE3 H -8.784 -0.292 6.099 1.00 . A A . 16 LYS HE3 1 1 5 2195 1 1 17 LYS HG2 H -9.452 0.263 3.231 1.00 . A A . 16 LYS HG2 1 1 5 2196 1 1 17 LYS HG3 H -9.439 1.403 4.578 1.00 . A A . 16 LYS HG3 1 1 5 2197 1 1 17 LYS HZ1 H -10.455 -1.387 7.450 1.00 . A A . 16 LYS HZ1 1 1 5 2198 1 1 17 LYS HZ2 H -9.115 -2.393 7.237 1.00 . A A . 16 LYS HZ2 1 1 5 2199 1 1 17 LYS HZ3 H -10.533 -2.679 6.361 1.00 . A A . 16 LYS HZ3 1 1 5 2200 1 1 17 LYS N N -11.891 3.518 2.170 1.00 . A A . 16 LYS N 1 1 5 2201 1 1 17 LYS NZ N -9.915 -1.938 6.754 1.00 . A A . 16 LYS NZ 1 1 5 2202 1 1 17 LYS O O -8.587 2.264 1.730 1.00 . A A . 16 LYS O 1 1 5 2203 1 1 18 LEU C C -8.576 3.391 -1.063 1.00 . A A . 17 LEU C 1 1 5 2204 1 1 18 LEU CA C -9.510 2.200 -0.882 1.00 . A A . 17 LEU CA 1 1 5 2205 1 1 18 LEU CB C -10.406 2.035 -2.110 1.00 . A A . 17 LEU CB 1 1 5 2206 1 1 18 LEU CD1 C -8.942 0.374 -3.281 1.00 . A A . 17 LEU CD1 1 1 5 2207 1 1 18 LEU CD2 C -10.694 1.607 -4.548 1.00 . A A . 17 LEU CD2 1 1 5 2208 1 1 18 LEU CG C -9.691 1.689 -3.415 1.00 . A A . 17 LEU CG 1 1 5 2209 1 1 18 LEU H H -11.297 2.483 0.213 1.00 . A A . 17 LEU H 1 1 5 2210 1 1 18 LEU HA H -8.924 1.306 -0.746 1.00 . A A . 17 LEU HA 1 1 5 2211 1 1 18 LEU HB2 H -11.120 1.250 -1.906 1.00 . A A . 17 LEU HB2 1 1 5 2212 1 1 18 LEU HB3 H -10.945 2.958 -2.258 1.00 . A A . 17 LEU HB3 1 1 5 2213 1 1 18 LEU HD11 H -8.189 0.467 -2.518 1.00 . A A . 17 LEU HD11 1 1 5 2214 1 1 18 LEU HD12 H -8.475 0.128 -4.223 1.00 . A A . 17 LEU HD12 1 1 5 2215 1 1 18 LEU HD13 H -9.637 -0.405 -3.008 1.00 . A A . 17 LEU HD13 1 1 5 2216 1 1 18 LEU HD21 H -11.417 0.837 -4.325 1.00 . A A . 17 LEU HD21 1 1 5 2217 1 1 18 LEU HD22 H -10.182 1.369 -5.467 1.00 . A A . 17 LEU HD22 1 1 5 2218 1 1 18 LEU HD23 H -11.199 2.556 -4.649 1.00 . A A . 17 LEU HD23 1 1 5 2219 1 1 18 LEU HG H -8.976 2.464 -3.648 1.00 . A A . 17 LEU HG 1 1 5 2220 1 1 18 LEU N N -10.322 2.395 0.309 1.00 . A A . 17 LEU N 1 1 5 2221 1 1 18 LEU O O -7.435 3.249 -1.503 1.00 . A A . 17 LEU O 1 1 5 2222 1 1 19 ALA C C -7.194 5.770 0.302 1.00 . A A . 18 ALA C 1 1 5 2223 1 1 19 ALA CA C -8.300 5.787 -0.748 1.00 . A A . 18 ALA CA 1 1 5 2224 1 1 19 ALA CB C -9.210 6.983 -0.547 1.00 . A A . 18 ALA CB 1 1 5 2225 1 1 19 ALA H H -10.002 4.602 -0.375 1.00 . A A . 18 ALA H 1 1 5 2226 1 1 19 ALA HA H -7.856 5.859 -1.728 1.00 . A A . 18 ALA HA 1 1 5 2227 1 1 19 ALA HB1 H -8.632 7.892 -0.614 1.00 . A A . 18 ALA HB1 1 1 5 2228 1 1 19 ALA HB2 H -9.675 6.920 0.428 1.00 . A A . 18 ALA HB2 1 1 5 2229 1 1 19 ALA HB3 H -9.974 6.983 -1.309 1.00 . A A . 18 ALA HB3 1 1 5 2230 1 1 19 ALA N N -9.075 4.562 -0.692 1.00 . A A . 18 ALA N 1 1 5 2231 1 1 19 ALA O O -6.066 6.187 0.037 1.00 . A A . 18 ALA O 1 1 5 2232 1 1 20 LYS C C -5.501 4.087 2.151 1.00 . A A . 19 LYS C 1 1 5 2233 1 1 20 LYS CA C -6.540 5.129 2.556 1.00 . A A . 19 LYS CA 1 1 5 2234 1 1 20 LYS CB C -7.209 4.717 3.870 1.00 . A A . 19 LYS CB 1 1 5 2235 1 1 20 LYS CD C -6.890 4.137 6.303 1.00 . A A . 19 LYS CD 1 1 5 2236 1 1 20 LYS CE C -5.907 4.131 7.464 1.00 . A A . 19 LYS CE 1 1 5 2237 1 1 20 LYS CG C -6.244 4.695 5.046 1.00 . A A . 19 LYS CG 1 1 5 2238 1 1 20 LYS H H -8.457 5.027 1.663 1.00 . A A . 19 LYS H 1 1 5 2239 1 1 20 LYS HA H -6.047 6.080 2.691 1.00 . A A . 19 LYS HA 1 1 5 2240 1 1 20 LYS HB2 H -8.005 5.414 4.092 1.00 . A A . 19 LYS HB2 1 1 5 2241 1 1 20 LYS HB3 H -7.628 3.728 3.758 1.00 . A A . 19 LYS HB3 1 1 5 2242 1 1 20 LYS HD2 H -7.739 4.750 6.566 1.00 . A A . 19 LYS HD2 1 1 5 2243 1 1 20 LYS HD3 H -7.216 3.125 6.113 1.00 . A A . 19 LYS HD3 1 1 5 2244 1 1 20 LYS HE2 H -5.020 3.593 7.164 1.00 . A A . 19 LYS HE2 1 1 5 2245 1 1 20 LYS HE3 H -5.644 5.151 7.699 1.00 . A A . 19 LYS HE3 1 1 5 2246 1 1 20 LYS HG2 H -5.397 4.078 4.786 1.00 . A A . 19 LYS HG2 1 1 5 2247 1 1 20 LYS HG3 H -5.908 5.702 5.241 1.00 . A A . 19 LYS HG3 1 1 5 2248 1 1 20 LYS HZ1 H -5.793 3.549 9.463 1.00 . A A . 19 LYS HZ1 1 1 5 2249 1 1 20 LYS HZ2 H -6.673 2.482 8.491 1.00 . A A . 19 LYS HZ2 1 1 5 2250 1 1 20 LYS HZ3 H -7.353 3.958 8.956 1.00 . A A . 19 LYS HZ3 1 1 5 2251 1 1 20 LYS N N -7.526 5.282 1.493 1.00 . A A . 19 LYS N 1 1 5 2252 1 1 20 LYS NZ N -6.471 3.486 8.678 1.00 . A A . 19 LYS NZ 1 1 5 2253 1 1 20 LYS O O -4.321 4.200 2.484 1.00 . A A . 19 LYS O 1 1 5 2254 1 1 21 4PH C33 C -2.704 -2.969 -2.331 1.00 . A A . 20 4PH C33 1 1 5 2255 1 1 21 4PH H33 H -1.921 -3.257 -1.649 1.00 . A A . 20 4PH H33 1 1 5 2256 1 1 21 4PH H33A H -3.283 -3.835 -2.603 1.00 . A A . 20 4PH H33A 1 1 5 2257 1 1 21 4PH H33B H -2.260 -2.530 -3.215 1.00 . A A . 20 4PH H33B 1 1 5 2258 1 1 22 GLN C C -2.606 5.087 -1.108 1.00 . A A . 21 GLN C 1 1 5 2259 1 1 22 GLN CA C -3.640 4.260 -1.864 1.00 . A A . 21 GLN CA 1 1 5 2260 1 1 22 GLN CB C -4.451 5.153 -2.802 1.00 . A A . 21 GLN CB 1 1 5 2261 1 1 22 GLN CD C -4.335 3.612 -4.787 1.00 . A A . 21 GLN CD 1 1 5 2262 1 1 22 GLN CG C -5.239 4.367 -3.833 1.00 . A A . 21 GLN CG 1 1 5 2263 1 1 22 GLN H H -5.492 3.707 -0.992 1.00 . A A . 21 GLN H 1 1 5 2264 1 1 22 GLN HA H -3.123 3.520 -2.454 1.00 . A A . 21 GLN HA 1 1 5 2265 1 1 22 GLN HB2 H -5.144 5.740 -2.217 1.00 . A A . 21 GLN HB2 1 1 5 2266 1 1 22 GLN HB3 H -3.777 5.817 -3.322 1.00 . A A . 21 GLN HB3 1 1 5 2267 1 1 22 GLN HE21 H -4.313 2.033 -3.586 1.00 . A A . 21 GLN HE21 1 1 5 2268 1 1 22 GLN HE22 H -3.396 1.883 -5.037 1.00 . A A . 21 GLN HE22 1 1 5 2269 1 1 22 GLN HG2 H -5.871 3.660 -3.319 1.00 . A A . 21 GLN HG2 1 1 5 2270 1 1 22 GLN HG3 H -5.851 5.053 -4.402 1.00 . A A . 21 GLN HG3 1 1 5 2271 1 1 22 GLN N N -4.523 3.548 -0.945 1.00 . A A . 21 GLN N 1 1 5 2272 1 1 22 GLN NE2 N -3.981 2.387 -4.434 1.00 . A A . 21 GLN NE2 1 1 5 2273 1 1 22 GLN O O -1.469 5.234 -1.558 1.00 . A A . 21 GLN O 1 1 5 2274 1 1 22 GLN OE1 O -3.951 4.132 -5.833 1.00 . A A . 21 GLN OE1 1 1 5 2275 1 1 23 ALA C C -0.982 5.466 1.411 1.00 . A A . 22 ALA C 1 1 5 2276 1 1 23 ALA CA C -2.094 6.367 0.890 1.00 . A A . 22 ALA CA 1 1 5 2277 1 1 23 ALA CB C -2.856 6.995 2.043 1.00 . A A . 22 ALA CB 1 1 5 2278 1 1 23 ALA H H -3.928 5.487 0.332 1.00 . A A . 22 ALA H 1 1 5 2279 1 1 23 ALA HA H -1.660 7.158 0.298 1.00 . A A . 22 ALA HA 1 1 5 2280 1 1 23 ALA HB1 H -2.176 7.570 2.653 1.00 . A A . 22 ALA HB1 1 1 5 2281 1 1 23 ALA HB2 H -3.309 6.216 2.640 1.00 . A A . 22 ALA HB2 1 1 5 2282 1 1 23 ALA HB3 H -3.628 7.642 1.654 1.00 . A A . 22 ALA HB3 1 1 5 2283 1 1 23 ALA N N -3.002 5.612 0.043 1.00 . A A . 22 ALA N 1 1 5 2284 1 1 23 ALA O O 0.192 5.831 1.392 1.00 . A A . 22 ALA O 1 1 5 2285 1 1 24 ASP C C 0.565 2.889 1.250 1.00 . A A . 23 ASP C 1 1 5 2286 1 1 24 ASP CA C -0.396 3.299 2.363 1.00 . A A . 23 ASP CA 1 1 5 2287 1 1 24 ASP CB C -1.116 2.059 2.907 1.00 . A A . 23 ASP CB 1 1 5 2288 1 1 24 ASP CG C -0.314 1.334 3.972 1.00 . A A . 23 ASP CG 1 1 5 2289 1 1 24 ASP H H -2.317 4.045 1.845 1.00 . A A . 23 ASP H 1 1 5 2290 1 1 24 ASP HA H 0.168 3.766 3.158 1.00 . A A . 23 ASP HA 1 1 5 2291 1 1 24 ASP HB2 H -2.063 2.353 3.335 1.00 . A A . 23 ASP HB2 1 1 5 2292 1 1 24 ASP HB3 H -1.294 1.372 2.093 1.00 . A A . 23 ASP HB3 1 1 5 2293 1 1 24 ASP N N -1.361 4.272 1.852 1.00 . A A . 23 ASP N 1 1 5 2294 1 1 24 ASP O O 1.765 2.713 1.477 1.00 . A A . 23 ASP O 1 1 5 2295 1 1 24 ASP OD1 O -0.522 1.590 5.174 1.00 . A A . 23 ASP OD1 1 1 5 2296 1 1 24 ASP OD2 O 0.550 0.507 3.602 1.00 . A A . 23 ASP OD2 1 1 5 2297 1 1 25 LEU C C 1.823 3.554 -1.426 1.00 . A A . 24 LEU C 1 1 5 2298 1 1 25 LEU CA C 0.826 2.447 -1.141 1.00 . A A . 24 LEU CA 1 1 5 2299 1 1 25 LEU CB C -0.061 2.224 -2.374 1.00 . A A . 24 LEU CB 1 1 5 2300 1 1 25 LEU CD1 C 0.510 -0.121 -3.068 1.00 . A A . 24 LEU CD1 1 1 5 2301 1 1 25 LEU CD2 C -1.173 0.267 -1.273 1.00 . A A . 24 LEU CD2 1 1 5 2302 1 1 25 LEU CG C -0.592 0.801 -2.566 1.00 . A A . 24 LEU CG 1 1 5 2303 1 1 25 LEU H H -0.950 2.858 -0.057 1.00 . A A . 24 LEU H 1 1 5 2304 1 1 25 LEU HA H 1.369 1.537 -0.934 1.00 . A A . 24 LEU HA 1 1 5 2305 1 1 25 LEU HB2 H -0.907 2.893 -2.303 1.00 . A A . 24 LEU HB2 1 1 5 2306 1 1 25 LEU HB3 H 0.513 2.490 -3.249 1.00 . A A . 24 LEU HB3 1 1 5 2307 1 1 25 LEU HD11 H 1.331 -0.119 -2.366 1.00 . A A . 24 LEU HD11 1 1 5 2308 1 1 25 LEU HD12 H 0.858 0.225 -4.030 1.00 . A A . 24 LEU HD12 1 1 5 2309 1 1 25 LEU HD13 H 0.121 -1.125 -3.166 1.00 . A A . 24 LEU HD13 1 1 5 2310 1 1 25 LEU HD21 H -2.000 0.891 -0.966 1.00 . A A . 24 LEU HD21 1 1 5 2311 1 1 25 LEU HD22 H -0.412 0.276 -0.507 1.00 . A A . 24 LEU HD22 1 1 5 2312 1 1 25 LEU HD23 H -1.522 -0.745 -1.423 1.00 . A A . 24 LEU HD23 1 1 5 2313 1 1 25 LEU HG H -1.380 0.815 -3.307 1.00 . A A . 24 LEU HG 1 1 5 2314 1 1 25 LEU N N 0.023 2.756 0.040 1.00 . A A . 24 LEU N 1 1 5 2315 1 1 25 LEU O O 2.952 3.286 -1.818 1.00 . A A . 24 LEU O 1 1 5 2316 1 1 26 ALA C C 3.531 5.830 -0.579 1.00 . A A . 25 ALA C 1 1 5 2317 1 1 26 ALA CA C 2.278 5.940 -1.439 1.00 . A A . 25 ALA CA 1 1 5 2318 1 1 26 ALA CB C 1.541 7.235 -1.148 1.00 . A A . 25 ALA CB 1 1 5 2319 1 1 26 ALA H H 0.485 4.947 -0.901 1.00 . A A . 25 ALA H 1 1 5 2320 1 1 26 ALA HA H 2.568 5.939 -2.481 1.00 . A A . 25 ALA HA 1 1 5 2321 1 1 26 ALA HB1 H 2.183 8.073 -1.375 1.00 . A A . 25 ALA HB1 1 1 5 2322 1 1 26 ALA HB2 H 1.265 7.264 -0.104 1.00 . A A . 25 ALA HB2 1 1 5 2323 1 1 26 ALA HB3 H 0.651 7.288 -1.757 1.00 . A A . 25 ALA HB3 1 1 5 2324 1 1 26 ALA N N 1.405 4.795 -1.215 1.00 . A A . 25 ALA N 1 1 5 2325 1 1 26 ALA O O 4.639 6.109 -1.041 1.00 . A A . 25 ALA O 1 1 5 2326 1 1 27 LYS C C 5.304 3.995 1.110 1.00 . A A . 26 LYS C 1 1 5 2327 1 1 27 LYS CA C 4.462 5.181 1.572 1.00 . A A . 26 LYS CA 1 1 5 2328 1 1 27 LYS CB C 3.970 4.939 3.004 1.00 . A A . 26 LYS CB 1 1 5 2329 1 1 27 LYS CD C 2.383 6.897 3.228 1.00 . A A . 26 LYS CD 1 1 5 2330 1 1 27 LYS CE C 1.965 8.065 4.107 1.00 . A A . 26 LYS CE 1 1 5 2331 1 1 27 LYS CG C 3.616 6.204 3.779 1.00 . A A . 26 LYS CG 1 1 5 2332 1 1 27 LYS H H 2.431 5.232 0.978 1.00 . A A . 26 LYS H 1 1 5 2333 1 1 27 LYS HA H 5.076 6.067 1.557 1.00 . A A . 26 LYS HA 1 1 5 2334 1 1 27 LYS HB2 H 3.089 4.315 2.966 1.00 . A A . 26 LYS HB2 1 1 5 2335 1 1 27 LYS HB3 H 4.742 4.414 3.547 1.00 . A A . 26 LYS HB3 1 1 5 2336 1 1 27 LYS HD2 H 2.602 7.265 2.237 1.00 . A A . 26 LYS HD2 1 1 5 2337 1 1 27 LYS HD3 H 1.573 6.185 3.180 1.00 . A A . 26 LYS HD3 1 1 5 2338 1 1 27 LYS HE2 H 2.793 8.753 4.188 1.00 . A A . 26 LYS HE2 1 1 5 2339 1 1 27 LYS HE3 H 1.127 8.564 3.644 1.00 . A A . 26 LYS HE3 1 1 5 2340 1 1 27 LYS HG2 H 3.432 5.942 4.807 1.00 . A A . 26 LYS HG2 1 1 5 2341 1 1 27 LYS HG3 H 4.452 6.888 3.728 1.00 . A A . 26 LYS HG3 1 1 5 2342 1 1 27 LYS HZ1 H 0.739 7.000 5.419 1.00 . A A . 26 LYS HZ1 1 1 5 2343 1 1 27 LYS HZ2 H 1.335 8.445 6.061 1.00 . A A . 26 LYS HZ2 1 1 5 2344 1 1 27 LYS HZ3 H 2.352 7.103 5.920 1.00 . A A . 26 LYS HZ3 1 1 5 2345 1 1 27 LYS N N 3.346 5.402 0.664 1.00 . A A . 26 LYS N 1 1 5 2346 1 1 27 LYS NZ N 1.572 7.623 5.471 1.00 . A A . 26 LYS NZ 1 1 5 2347 1 1 27 LYS O O 6.531 4.078 1.055 1.00 . A A . 26 LYS O 1 1 5 2348 1 1 28 4PH C33 C 6.509 -3.976 -2.487 1.00 . A A . 27 4PH C33 1 1 5 2349 1 1 28 4PH H33 H 7.341 -3.650 -3.090 1.00 . A A . 27 4PH H33 1 1 5 2350 1 1 28 4PH H33A H 6.846 -4.706 -1.767 1.00 . A A . 27 4PH H33A 1 1 5 2351 1 1 28 4PH H33B H 5.759 -4.415 -3.131 1.00 . A A . 27 4PH H33B 1 1 5 2352 1 1 29 GLN C C 7.331 3.603 -3.130 1.00 . A A . 28 GLN C 1 1 5 2353 1 1 29 GLN CA C 6.117 2.685 -3.238 1.00 . A A . 28 GLN CA 1 1 5 2354 1 1 29 GLN CB C 5.101 3.246 -4.236 1.00 . A A . 28 GLN CB 1 1 5 2355 1 1 29 GLN CD C 2.862 2.867 -5.383 1.00 . A A . 28 GLN CD 1 1 5 2356 1 1 29 GLN CG C 4.005 2.247 -4.604 1.00 . A A . 28 GLN CG 1 1 5 2357 1 1 29 GLN H H 4.564 2.812 -1.797 1.00 . A A . 28 GLN H 1 1 5 2358 1 1 29 GLN HA H 6.449 1.719 -3.584 1.00 . A A . 28 GLN HA 1 1 5 2359 1 1 29 GLN HB2 H 4.634 4.121 -3.803 1.00 . A A . 28 GLN HB2 1 1 5 2360 1 1 29 GLN HB3 H 5.621 3.533 -5.139 1.00 . A A . 28 GLN HB3 1 1 5 2361 1 1 29 GLN HE21 H 3.100 4.600 -4.447 1.00 . A A . 28 GLN HE21 1 1 5 2362 1 1 29 GLN HE22 H 1.829 4.545 -5.612 1.00 . A A . 28 GLN HE22 1 1 5 2363 1 1 29 GLN HG2 H 4.438 1.461 -5.205 1.00 . A A . 28 GLN HG2 1 1 5 2364 1 1 29 GLN HG3 H 3.608 1.819 -3.695 1.00 . A A . 28 GLN HG3 1 1 5 2365 1 1 29 GLN N N 5.484 2.489 -1.936 1.00 . A A . 28 GLN N 1 1 5 2366 1 1 29 GLN NE2 N 2.571 4.130 -5.121 1.00 . A A . 28 GLN NE2 1 1 5 2367 1 1 29 GLN O O 8.270 3.502 -3.919 1.00 . A A . 28 GLN O 1 1 5 2368 1 1 29 GLN OE1 O 2.232 2.206 -6.209 1.00 . A A . 28 GLN OE1 1 1 5 2369 1 1 30 LYS C C 9.533 4.628 -1.123 1.00 . A A . 29 LYS C 1 1 5 2370 1 1 30 LYS CA C 8.443 5.370 -1.896 1.00 . A A . 29 LYS CA 1 1 5 2371 1 1 30 LYS CB C 7.994 6.610 -1.117 1.00 . A A . 29 LYS CB 1 1 5 2372 1 1 30 LYS CD C 8.658 8.734 0.064 1.00 . A A . 29 LYS CD 1 1 5 2373 1 1 30 LYS CE C 7.813 9.695 -0.758 1.00 . A A . 29 LYS CE 1 1 5 2374 1 1 30 LYS CG C 9.137 7.549 -0.762 1.00 . A A . 29 LYS CG 1 1 5 2375 1 1 30 LYS H H 6.515 4.559 -1.582 1.00 . A A . 29 LYS H 1 1 5 2376 1 1 30 LYS HA H 8.841 5.679 -2.851 1.00 . A A . 29 LYS HA 1 1 5 2377 1 1 30 LYS HB2 H 7.280 7.156 -1.713 1.00 . A A . 29 LYS HB2 1 1 5 2378 1 1 30 LYS HB3 H 7.520 6.295 -0.200 1.00 . A A . 29 LYS HB3 1 1 5 2379 1 1 30 LYS HD2 H 8.065 8.367 0.887 1.00 . A A . 29 LYS HD2 1 1 5 2380 1 1 30 LYS HD3 H 9.519 9.262 0.447 1.00 . A A . 29 LYS HD3 1 1 5 2381 1 1 30 LYS HE2 H 7.001 9.147 -1.208 1.00 . A A . 29 LYS HE2 1 1 5 2382 1 1 30 LYS HE3 H 7.413 10.454 -0.101 1.00 . A A . 29 LYS HE3 1 1 5 2383 1 1 30 LYS HG2 H 9.875 7.004 -0.193 1.00 . A A . 29 LYS HG2 1 1 5 2384 1 1 30 LYS HG3 H 9.582 7.915 -1.675 1.00 . A A . 29 LYS HG3 1 1 5 2385 1 1 30 LYS HZ1 H 8.970 9.645 -2.497 1.00 . A A . 29 LYS HZ1 1 1 5 2386 1 1 30 LYS HZ2 H 9.410 10.869 -1.421 1.00 . A A . 29 LYS HZ2 1 1 5 2387 1 1 30 LYS HZ3 H 8.011 11.029 -2.353 1.00 . A A . 29 LYS HZ3 1 1 5 2388 1 1 30 LYS N N 7.310 4.491 -2.148 1.00 . A A . 29 LYS N 1 1 5 2389 1 1 30 LYS NZ N 8.605 10.354 -1.831 1.00 . A A . 29 LYS NZ 1 1 5 2390 1 1 30 LYS O O 10.709 4.678 -1.484 1.00 . A A . 29 LYS O 1 1 5 2391 1 1 31 ASP C C 10.728 2.046 0.024 1.00 . A A . 30 ASP C 1 1 5 2392 1 1 31 ASP CA C 10.084 3.205 0.782 1.00 . A A . 30 ASP CA 1 1 5 2393 1 1 31 ASP CB C 9.394 2.698 2.058 1.00 . A A . 30 ASP CB 1 1 5 2394 1 1 31 ASP CG C 10.333 1.946 2.982 1.00 . A A . 30 ASP CG 1 1 5 2395 1 1 31 ASP H H 8.171 3.878 0.139 1.00 . A A . 30 ASP H 1 1 5 2396 1 1 31 ASP HA H 10.859 3.905 1.059 1.00 . A A . 30 ASP HA 1 1 5 2397 1 1 31 ASP HB2 H 8.992 3.540 2.601 1.00 . A A . 30 ASP HB2 1 1 5 2398 1 1 31 ASP HB3 H 8.586 2.037 1.783 1.00 . A A . 30 ASP HB3 1 1 5 2399 1 1 31 ASP N N 9.133 3.922 -0.070 1.00 . A A . 30 ASP N 1 1 5 2400 1 1 31 ASP O O 11.901 1.734 0.226 1.00 . A A . 30 ASP O 1 1 5 2401 1 1 31 ASP OD1 O 11.406 2.491 3.318 1.00 . A A . 30 ASP OD1 1 1 5 2402 1 1 31 ASP OD2 O 10.012 0.802 3.369 1.00 . A A . 30 ASP OD2 1 1 5 2403 1 1 32 LEU C C 11.503 0.885 -2.675 1.00 . A A . 31 LEU C 1 1 5 2404 1 1 32 LEU CA C 10.459 0.343 -1.701 1.00 . A A . 31 LEU CA 1 1 5 2405 1 1 32 LEU CB C 9.291 -0.310 -2.462 1.00 . A A . 31 LEU CB 1 1 5 2406 1 1 32 LEU CD1 C 10.513 -1.791 -4.110 1.00 . A A . 31 LEU CD1 1 1 5 2407 1 1 32 LEU CD2 C 9.969 -2.640 -1.830 1.00 . A A . 31 LEU CD2 1 1 5 2408 1 1 32 LEU CG C 9.514 -1.744 -2.968 1.00 . A A . 31 LEU CG 1 1 5 2409 1 1 32 LEU H H 9.016 1.696 -0.948 1.00 . A A . 31 LEU H 1 1 5 2410 1 1 32 LEU HA H 10.922 -0.388 -1.058 1.00 . A A . 31 LEU HA 1 1 5 2411 1 1 32 LEU HB2 H 8.429 -0.318 -1.811 1.00 . A A . 31 LEU HB2 1 1 5 2412 1 1 32 LEU HB3 H 9.063 0.310 -3.316 1.00 . A A . 31 LEU HB3 1 1 5 2413 1 1 32 LEU HD11 H 10.143 -1.204 -4.937 1.00 . A A . 31 LEU HD11 1 1 5 2414 1 1 32 LEU HD12 H 10.649 -2.814 -4.427 1.00 . A A . 31 LEU HD12 1 1 5 2415 1 1 32 LEU HD13 H 11.458 -1.387 -3.776 1.00 . A A . 31 LEU HD13 1 1 5 2416 1 1 32 LEU HD21 H 9.992 -3.665 -2.166 1.00 . A A . 31 LEU HD21 1 1 5 2417 1 1 32 LEU HD22 H 9.280 -2.545 -1.002 1.00 . A A . 31 LEU HD22 1 1 5 2418 1 1 32 LEU HD23 H 10.956 -2.344 -1.512 1.00 . A A . 31 LEU HD23 1 1 5 2419 1 1 32 LEU HG H 8.577 -2.132 -3.337 1.00 . A A . 31 LEU HG 1 1 5 2420 1 1 32 LEU N N 9.959 1.427 -0.864 1.00 . A A . 31 LEU N 1 1 5 2421 1 1 32 LEU O O 12.544 0.266 -2.897 1.00 . A A . 31 LEU O 1 1 5 2422 1 1 33 ALA C C 13.434 3.073 -3.444 1.00 . A A . 32 ALA C 1 1 5 2423 1 1 33 ALA CA C 12.139 2.709 -4.159 1.00 . A A . 32 ALA CA 1 1 5 2424 1 1 33 ALA CB C 11.492 3.951 -4.748 1.00 . A A . 32 ALA CB 1 1 5 2425 1 1 33 ALA H H 10.362 2.480 -3.044 1.00 . A A . 32 ALA H 1 1 5 2426 1 1 33 ALA HA H 12.360 2.026 -4.964 1.00 . A A . 32 ALA HA 1 1 5 2427 1 1 33 ALA HB1 H 10.578 3.674 -5.254 1.00 . A A . 32 ALA HB1 1 1 5 2428 1 1 33 ALA HB2 H 12.169 4.411 -5.452 1.00 . A A . 32 ALA HB2 1 1 5 2429 1 1 33 ALA HB3 H 11.267 4.648 -3.954 1.00 . A A . 32 ALA HB3 1 1 5 2430 1 1 33 ALA N N 11.218 2.050 -3.244 1.00 . A A . 32 ALA N 1 1 5 2431 1 1 33 ALA O O 14.523 2.970 -4.008 1.00 . A A . 32 ALA O 1 1 5 2432 1 1 34 ASP C C 15.249 2.552 -1.039 1.00 . A A . 33 ASP C 1 1 5 2433 1 1 34 ASP CA C 14.447 3.810 -1.354 1.00 . A A . 33 ASP CA 1 1 5 2434 1 1 34 ASP CB C 13.989 4.482 -0.055 1.00 . A A . 33 ASP CB 1 1 5 2435 1 1 34 ASP CG C 15.113 4.633 0.950 1.00 . A A . 33 ASP CG 1 1 5 2436 1 1 34 ASP H H 12.392 3.614 -1.833 1.00 . A A . 33 ASP H 1 1 5 2437 1 1 34 ASP HA H 15.076 4.495 -1.901 1.00 . A A . 33 ASP HA 1 1 5 2438 1 1 34 ASP HB2 H 13.600 5.463 -0.280 1.00 . A A . 33 ASP HB2 1 1 5 2439 1 1 34 ASP HB3 H 13.210 3.888 0.396 1.00 . A A . 33 ASP HB3 1 1 5 2440 1 1 34 ASP N N 13.297 3.496 -2.195 1.00 . A A . 33 ASP N 1 1 5 2441 1 1 34 ASP O O 16.477 2.551 -1.113 1.00 . A A . 33 ASP O 1 1 5 2442 1 1 34 ASP OD1 O 15.928 5.567 0.792 1.00 . A A . 33 ASP OD1 1 1 5 2443 1 1 34 ASP OD2 O 15.189 3.820 1.894 1.00 . A A . 33 ASP OD2 1 1 5 2444 1 1 35 4PH C33 C 16.210 -5.848 1.576 1.00 . A A . 34 4PH C33 1 1 5 2445 1 1 35 4PH H33 H 17.175 -5.989 1.113 1.00 . A A . 34 4PH H33 1 1 5 2446 1 1 35 4PH H33A H 16.311 -5.898 2.650 1.00 . A A . 34 4PH H33A 1 1 5 2447 1 1 35 4PH H33B H 15.536 -6.621 1.237 1.00 . A A . 34 4PH H33B 1 1 5 2448 1 1 36 NH2 HN1 H 14.452 0.230 -2.782 1.00 . A A . 35 NH2 HN1 1 1 5 2449 1 1 36 NH2 HN2 H 15.786 -0.557 -3.553 1.00 . A A . 35 NH2 HN2 1 1 5 2450 1 1 36 NH2 N N 15.328 -0.216 -2.758 1.00 . A A . 35 NH2 N 1 1 6 2451 1 1 1 ACE C C 13.871 -4.794 4.800 1.00 . A A . 0 ACE C 1 1 6 2452 1 1 1 ACE CH3 C 14.447 -3.473 4.367 1.00 . A A . 0 ACE CH3 1 1 6 2453 1 1 1 ACE H1 H 13.867 -2.675 4.818 1.00 . A A . 0 ACE H1 1 1 6 2454 1 1 1 ACE H2 H 14.396 -3.395 3.299 1.00 . A A . 0 ACE H2 1 1 6 2455 1 1 1 ACE H3 H 15.485 -3.428 4.683 1.00 . A A . 0 ACE H3 1 1 6 2456 1 1 1 ACE O O 13.527 -4.981 5.969 1.00 . A A . 0 ACE O 1 1 6 2457 1 1 2 PRO C C 11.435 -5.335 3.074 1.00 . A A . 1 PRO C 1 1 6 2458 1 1 2 PRO CA C 12.888 -5.599 2.688 1.00 . A A . 1 PRO CA 1 1 6 2459 1 1 2 PRO CB C 13.010 -6.956 1.983 1.00 . A A . 1 PRO CB 1 1 6 2460 1 1 2 PRO CD C 14.464 -7.030 3.876 1.00 . A A . 1 PRO CD 1 1 6 2461 1 1 2 PRO CG C 14.287 -7.541 2.472 1.00 . A A . 1 PRO CG 1 1 6 2462 1 1 2 PRO HA H 13.238 -4.815 2.034 1.00 . A A . 1 PRO HA 1 1 6 2463 1 1 2 PRO HB2 H 12.169 -7.585 2.250 1.00 . A A . 1 PRO HB2 1 1 6 2464 1 1 2 PRO HB3 H 13.052 -6.820 0.915 1.00 . A A . 1 PRO HB3 1 1 6 2465 1 1 2 PRO HD2 H 14.017 -7.709 4.588 1.00 . A A . 1 PRO HD2 1 1 6 2466 1 1 2 PRO HD3 H 15.512 -6.887 4.097 1.00 . A A . 1 PRO HD3 1 1 6 2467 1 1 2 PRO HG2 H 14.218 -8.621 2.464 1.00 . A A . 1 PRO HG2 1 1 6 2468 1 1 2 PRO HG3 H 15.106 -7.208 1.852 1.00 . A A . 1 PRO HG3 1 1 6 2469 1 1 2 PRO N N 13.753 -5.743 3.864 1.00 . A A . 1 PRO N 1 1 6 2470 1 1 2 PRO O O 10.819 -6.136 3.781 1.00 . A A . 1 PRO O 1 1 6 2471 1 1 3 PRO C C 8.505 -4.725 2.099 1.00 . A A . 2 PRO C 1 1 6 2472 1 1 3 PRO CA C 9.473 -3.861 2.910 1.00 . A A . 2 PRO CA 1 1 6 2473 1 1 3 PRO CB C 9.370 -2.388 2.494 1.00 . A A . 2 PRO CB 1 1 6 2474 1 1 3 PRO CD C 11.552 -3.157 1.833 1.00 . A A . 2 PRO CD 1 1 6 2475 1 1 3 PRO CG C 10.454 -2.179 1.495 1.00 . A A . 2 PRO CG 1 1 6 2476 1 1 3 PRO HA H 9.248 -3.963 3.964 1.00 . A A . 2 PRO HA 1 1 6 2477 1 1 3 PRO HB2 H 8.398 -2.195 2.051 1.00 . A A . 2 PRO HB2 1 1 6 2478 1 1 3 PRO HB3 H 9.528 -1.745 3.348 1.00 . A A . 2 PRO HB3 1 1 6 2479 1 1 3 PRO HD2 H 11.969 -3.577 0.929 1.00 . A A . 2 PRO HD2 1 1 6 2480 1 1 3 PRO HD3 H 12.324 -2.672 2.414 1.00 . A A . 2 PRO HD3 1 1 6 2481 1 1 3 PRO HG2 H 10.072 -2.372 0.501 1.00 . A A . 2 PRO HG2 1 1 6 2482 1 1 3 PRO HG3 H 10.826 -1.167 1.563 1.00 . A A . 2 PRO HG3 1 1 6 2483 1 1 3 PRO N N 10.871 -4.200 2.631 1.00 . A A . 2 PRO N 1 1 6 2484 1 1 3 PRO O O 8.798 -5.102 0.959 1.00 . A A . 2 PRO O 1 1 6 2485 1 1 4 THR C C 5.242 -5.027 1.463 1.00 . A A . 3 THR C 1 1 6 2486 1 1 4 THR CA C 6.373 -5.877 2.023 1.00 . A A . 3 THR CA 1 1 6 2487 1 1 4 THR CB C 5.792 -6.937 2.976 1.00 . A A . 3 THR CB 1 1 6 2488 1 1 4 THR CG2 C 6.766 -8.089 3.160 1.00 . A A . 3 THR CG2 1 1 6 2489 1 1 4 THR H H 7.180 -4.730 3.600 1.00 . A A . 3 THR H 1 1 6 2490 1 1 4 THR HA H 6.858 -6.389 1.206 1.00 . A A . 3 THR HA 1 1 6 2491 1 1 4 THR HB H 4.880 -7.324 2.546 1.00 . A A . 3 THR HB 1 1 6 2492 1 1 4 THR HG1 H 6.083 -6.715 4.916 1.00 . A A . 3 THR HG1 1 1 6 2493 1 1 4 THR HG21 H 6.327 -8.829 3.812 1.00 . A A . 3 THR HG21 1 1 6 2494 1 1 4 THR HG22 H 7.682 -7.722 3.596 1.00 . A A . 3 THR HG22 1 1 6 2495 1 1 4 THR HG23 H 6.977 -8.537 2.199 1.00 . A A . 3 THR HG23 1 1 6 2496 1 1 4 THR N N 7.367 -5.055 2.692 1.00 . A A . 3 THR N 1 1 6 2497 1 1 4 THR O O 4.947 -3.946 1.977 1.00 . A A . 3 THR O 1 1 6 2498 1 1 4 THR OG1 O 5.495 -6.347 4.247 1.00 . A A . 3 THR OG1 1 1 6 2499 1 1 5 LYS C C 2.181 -5.455 0.313 1.00 . A A . 4 LYS C 1 1 6 2500 1 1 5 LYS CA C 3.479 -4.829 -0.185 1.00 . A A . 4 LYS CA 1 1 6 2501 1 1 5 LYS CB C 3.527 -4.870 -1.717 1.00 . A A . 4 LYS CB 1 1 6 2502 1 1 5 LYS CD C 3.390 -6.236 -3.816 1.00 . A A . 4 LYS CD 1 1 6 2503 1 1 5 LYS CE C 3.316 -7.638 -4.395 1.00 . A A . 4 LYS CE 1 1 6 2504 1 1 5 LYS CG C 3.455 -6.265 -2.298 1.00 . A A . 4 LYS CG 1 1 6 2505 1 1 5 LYS H H 4.943 -6.347 0.002 1.00 . A A . 4 LYS H 1 1 6 2506 1 1 5 LYS HA H 3.516 -3.802 0.139 1.00 . A A . 4 LYS HA 1 1 6 2507 1 1 5 LYS HB2 H 2.698 -4.298 -2.108 1.00 . A A . 4 LYS HB2 1 1 6 2508 1 1 5 LYS HB3 H 4.450 -4.416 -2.046 1.00 . A A . 4 LYS HB3 1 1 6 2509 1 1 5 LYS HD2 H 2.513 -5.684 -4.119 1.00 . A A . 4 LYS HD2 1 1 6 2510 1 1 5 LYS HD3 H 4.274 -5.746 -4.193 1.00 . A A . 4 LYS HD3 1 1 6 2511 1 1 5 LYS HE2 H 2.394 -8.099 -4.075 1.00 . A A . 4 LYS HE2 1 1 6 2512 1 1 5 LYS HE3 H 3.328 -7.569 -5.472 1.00 . A A . 4 LYS HE3 1 1 6 2513 1 1 5 LYS HG2 H 4.336 -6.810 -1.999 1.00 . A A . 4 LYS HG2 1 1 6 2514 1 1 5 LYS HG3 H 2.574 -6.754 -1.914 1.00 . A A . 4 LYS HG3 1 1 6 2515 1 1 5 LYS HZ1 H 4.411 -8.638 -2.924 1.00 . A A . 4 LYS HZ1 1 1 6 2516 1 1 5 LYS HZ2 H 5.359 -8.016 -4.179 1.00 . A A . 4 LYS HZ2 1 1 6 2517 1 1 5 LYS HZ3 H 4.429 -9.404 -4.432 1.00 . A A . 4 LYS HZ3 1 1 6 2518 1 1 5 LYS N N 4.623 -5.510 0.398 1.00 . A A . 4 LYS N 1 1 6 2519 1 1 5 LYS NZ N 4.457 -8.482 -3.951 1.00 . A A . 4 LYS NZ 1 1 6 2520 1 1 5 LYS O O 2.103 -6.671 0.503 1.00 . A A . 4 LYS O 1 1 6 2521 1 1 6 PRO C C -0.910 -5.825 -0.151 1.00 . A A . 5 PRO C 1 1 6 2522 1 1 6 PRO CA C -0.165 -5.111 0.976 1.00 . A A . 5 PRO CA 1 1 6 2523 1 1 6 PRO CB C -0.892 -3.825 1.374 1.00 . A A . 5 PRO CB 1 1 6 2524 1 1 6 PRO CD C 1.204 -3.160 0.440 1.00 . A A . 5 PRO CD 1 1 6 2525 1 1 6 PRO CG C -0.231 -2.747 0.588 1.00 . A A . 5 PRO CG 1 1 6 2526 1 1 6 PRO HA H -0.095 -5.768 1.831 1.00 . A A . 5 PRO HA 1 1 6 2527 1 1 6 PRO HB2 H -1.942 -3.904 1.121 1.00 . A A . 5 PRO HB2 1 1 6 2528 1 1 6 PRO HB3 H -0.774 -3.640 2.428 1.00 . A A . 5 PRO HB3 1 1 6 2529 1 1 6 PRO HD2 H 1.582 -2.860 -0.528 1.00 . A A . 5 PRO HD2 1 1 6 2530 1 1 6 PRO HD3 H 1.806 -2.733 1.232 1.00 . A A . 5 PRO HD3 1 1 6 2531 1 1 6 PRO HG2 H -0.699 -2.664 -0.383 1.00 . A A . 5 PRO HG2 1 1 6 2532 1 1 6 PRO HG3 H -0.294 -1.809 1.117 1.00 . A A . 5 PRO HG3 1 1 6 2533 1 1 6 PRO N N 1.155 -4.631 0.552 1.00 . A A . 5 PRO N 1 1 6 2534 1 1 6 PRO O O -0.550 -5.697 -1.326 1.00 . A A . 5 PRO O 1 1 6 2535 1 1 7 THR C C -3.878 -6.410 -1.280 1.00 . A A . 6 THR C 1 1 6 2536 1 1 7 THR CA C -2.737 -7.292 -0.781 1.00 . A A . 6 THR CA 1 1 6 2537 1 1 7 THR CB C -3.300 -8.617 -0.213 1.00 . A A . 6 THR CB 1 1 6 2538 1 1 7 THR CG2 C -4.288 -8.359 0.912 1.00 . A A . 6 THR CG2 1 1 6 2539 1 1 7 THR H H -2.166 -6.663 1.157 1.00 . A A . 6 THR H 1 1 6 2540 1 1 7 THR HA H -2.095 -7.530 -1.613 1.00 . A A . 6 THR HA 1 1 6 2541 1 1 7 THR HB H -2.478 -9.195 0.180 1.00 . A A . 6 THR HB 1 1 6 2542 1 1 7 THR HG1 H -4.758 -9.766 -0.895 1.00 . A A . 6 THR HG1 1 1 6 2543 1 1 7 THR HG21 H -5.111 -7.767 0.536 1.00 . A A . 6 THR HG21 1 1 6 2544 1 1 7 THR HG22 H -3.795 -7.825 1.708 1.00 . A A . 6 THR HG22 1 1 6 2545 1 1 7 THR HG23 H -4.663 -9.301 1.286 1.00 . A A . 6 THR HG23 1 1 6 2546 1 1 7 THR N N -1.938 -6.581 0.206 1.00 . A A . 6 THR N 1 1 6 2547 1 1 7 THR O O -4.328 -5.499 -0.578 1.00 . A A . 6 THR O 1 1 6 2548 1 1 7 THR OG1 O -3.946 -9.371 -1.248 1.00 . A A . 6 THR OG1 1 1 6 2549 1 1 8 LYS C C -6.714 -6.096 -2.369 1.00 . A A . 7 LYS C 1 1 6 2550 1 1 8 LYS CA C -5.400 -5.909 -3.121 1.00 . A A . 7 LYS CA 1 1 6 2551 1 1 8 LYS CB C -5.582 -6.325 -4.584 1.00 . A A . 7 LYS CB 1 1 6 2552 1 1 8 LYS CD C -3.849 -4.733 -5.489 1.00 . A A . 7 LYS CD 1 1 6 2553 1 1 8 LYS CE C -2.660 -4.573 -6.425 1.00 . A A . 7 LYS CE 1 1 6 2554 1 1 8 LYS CG C -4.331 -6.174 -5.437 1.00 . A A . 7 LYS CG 1 1 6 2555 1 1 8 LYS H H -3.939 -7.437 -2.983 1.00 . A A . 7 LYS H 1 1 6 2556 1 1 8 LYS HA H -5.125 -4.869 -3.086 1.00 . A A . 7 LYS HA 1 1 6 2557 1 1 8 LYS HB2 H -5.886 -7.360 -4.615 1.00 . A A . 7 LYS HB2 1 1 6 2558 1 1 8 LYS HB3 H -6.362 -5.720 -5.021 1.00 . A A . 7 LYS HB3 1 1 6 2559 1 1 8 LYS HD2 H -4.657 -4.106 -5.835 1.00 . A A . 7 LYS HD2 1 1 6 2560 1 1 8 LYS HD3 H -3.554 -4.429 -4.495 1.00 . A A . 7 LYS HD3 1 1 6 2561 1 1 8 LYS HE2 H -2.971 -4.830 -7.426 1.00 . A A . 7 LYS HE2 1 1 6 2562 1 1 8 LYS HE3 H -2.339 -3.542 -6.401 1.00 . A A . 7 LYS HE3 1 1 6 2563 1 1 8 LYS HG2 H -3.548 -6.786 -5.017 1.00 . A A . 7 LYS HG2 1 1 6 2564 1 1 8 LYS HG3 H -4.550 -6.508 -6.441 1.00 . A A . 7 LYS HG3 1 1 6 2565 1 1 8 LYS HZ1 H -1.770 -6.445 -6.164 1.00 . A A . 7 LYS HZ1 1 1 6 2566 1 1 8 LYS HZ2 H -1.273 -5.290 -5.037 1.00 . A A . 7 LYS HZ2 1 1 6 2567 1 1 8 LYS HZ3 H -0.687 -5.229 -6.620 1.00 . A A . 7 LYS HZ3 1 1 6 2568 1 1 8 LYS N N -4.331 -6.683 -2.496 1.00 . A A . 7 LYS N 1 1 6 2569 1 1 8 LYS NZ N -1.520 -5.444 -6.035 1.00 . A A . 7 LYS NZ 1 1 6 2570 1 1 8 LYS O O -7.207 -7.217 -2.244 1.00 . A A . 7 LYS O 1 1 6 2571 1 1 9 PRO C C -9.691 -5.613 -2.012 1.00 . A A . 8 PRO C 1 1 6 2572 1 1 9 PRO CA C -8.576 -5.037 -1.144 1.00 . A A . 8 PRO CA 1 1 6 2573 1 1 9 PRO CB C -8.860 -3.565 -0.827 1.00 . A A . 8 PRO CB 1 1 6 2574 1 1 9 PRO CD C -6.720 -3.639 -1.874 1.00 . A A . 8 PRO CD 1 1 6 2575 1 1 9 PRO CG C -7.535 -2.895 -0.853 1.00 . A A . 8 PRO CG 1 1 6 2576 1 1 9 PRO HA H -8.512 -5.602 -0.227 1.00 . A A . 8 PRO HA 1 1 6 2577 1 1 9 PRO HB2 H -9.515 -3.147 -1.583 1.00 . A A . 8 PRO HB2 1 1 6 2578 1 1 9 PRO HB3 H -9.307 -3.474 0.151 1.00 . A A . 8 PRO HB3 1 1 6 2579 1 1 9 PRO HD2 H -6.839 -3.195 -2.854 1.00 . A A . 8 PRO HD2 1 1 6 2580 1 1 9 PRO HD3 H -5.676 -3.651 -1.588 1.00 . A A . 8 PRO HD3 1 1 6 2581 1 1 9 PRO HG2 H -7.655 -1.859 -1.143 1.00 . A A . 8 PRO HG2 1 1 6 2582 1 1 9 PRO HG3 H -7.063 -2.961 0.117 1.00 . A A . 8 PRO HG3 1 1 6 2583 1 1 9 PRO N N -7.289 -5.000 -1.844 1.00 . A A . 8 PRO N 1 1 6 2584 1 1 9 PRO O O -9.882 -5.192 -3.156 1.00 . A A . 8 PRO O 1 1 6 2585 1 1 10 GLY C C -12.847 -6.630 -1.743 1.00 . A A . 9 GLY C 1 1 6 2586 1 1 10 GLY CA C -11.512 -7.183 -2.188 1.00 . A A . 9 GLY CA 1 1 6 2587 1 1 10 GLY H H -10.186 -6.899 -0.565 1.00 . A A . 9 GLY H 1 1 6 2588 1 1 10 GLY HA2 H -11.389 -6.991 -3.241 1.00 . A A . 9 GLY HA2 1 1 6 2589 1 1 10 GLY HA3 H -11.503 -8.250 -2.022 1.00 . A A . 9 GLY HA3 1 1 6 2590 1 1 10 GLY N N -10.410 -6.584 -1.467 1.00 . A A . 9 GLY N 1 1 6 2591 1 1 10 GLY O O -13.482 -5.865 -2.465 1.00 . A A . 9 GLY O 1 1 6 2592 1 1 11 ASP C C -14.341 -5.253 0.793 1.00 . A A . 10 ASP C 1 1 6 2593 1 1 11 ASP CA C -14.538 -6.533 -0.003 1.00 . A A . 10 ASP CA 1 1 6 2594 1 1 11 ASP CB C -15.175 -7.608 0.880 1.00 . A A . 10 ASP CB 1 1 6 2595 1 1 11 ASP CG C -15.478 -8.881 0.117 1.00 . A A . 10 ASP CG 1 1 6 2596 1 1 11 ASP H H -12.702 -7.594 -0.002 1.00 . A A . 10 ASP H 1 1 6 2597 1 1 11 ASP HA H -15.195 -6.329 -0.836 1.00 . A A . 10 ASP HA 1 1 6 2598 1 1 11 ASP HB2 H -14.501 -7.847 1.689 1.00 . A A . 10 ASP HB2 1 1 6 2599 1 1 11 ASP HB3 H -16.097 -7.226 1.287 1.00 . A A . 10 ASP HB3 1 1 6 2600 1 1 11 ASP N N -13.263 -6.993 -0.541 1.00 . A A . 10 ASP N 1 1 6 2601 1 1 11 ASP O O -15.282 -4.493 1.018 1.00 . A A . 10 ASP O 1 1 6 2602 1 1 11 ASP OD1 O -16.531 -8.940 -0.551 1.00 . A A . 10 ASP OD1 1 1 6 2603 1 1 11 ASP OD2 O -14.670 -9.836 0.189 1.00 . A A . 10 ASP OD2 1 1 6 2604 1 1 12 ASN C C -12.329 -2.695 1.018 1.00 . A A . 11 ASN C 1 1 6 2605 1 1 12 ASN CA C -12.743 -3.824 1.959 1.00 . A A . 11 ASN CA 1 1 6 2606 1 1 12 ASN CB C -11.613 -4.128 2.960 1.00 . A A . 11 ASN CB 1 1 6 2607 1 1 12 ASN CG C -10.354 -4.681 2.303 1.00 . A A . 11 ASN CG 1 1 6 2608 1 1 12 ASN H H -12.403 -5.673 0.995 1.00 . A A . 11 ASN H 1 1 6 2609 1 1 12 ASN HA H -13.618 -3.509 2.507 1.00 . A A . 11 ASN HA 1 1 6 2610 1 1 12 ASN HB2 H -11.352 -3.220 3.479 1.00 . A A . 11 ASN HB2 1 1 6 2611 1 1 12 ASN HB3 H -11.967 -4.855 3.677 1.00 . A A . 11 ASN HB3 1 1 6 2612 1 1 12 ASN HD21 H -9.211 -3.822 3.686 1.00 . A A . 11 ASN HD21 1 1 6 2613 1 1 12 ASN HD22 H -8.373 -4.722 2.474 1.00 . A A . 11 ASN HD22 1 1 6 2614 1 1 12 ASN N N -13.104 -5.019 1.203 1.00 . A A . 11 ASN N 1 1 6 2615 1 1 12 ASN ND2 N -9.198 -4.378 2.878 1.00 . A A . 11 ASN ND2 1 1 6 2616 1 1 12 ASN O O -11.851 -1.650 1.457 1.00 . A A . 11 ASN O 1 1 6 2617 1 1 12 ASN OD1 O -10.420 -5.380 1.292 1.00 . A A . 11 ASN OD1 1 1 6 2618 1 1 13 ALA C C -13.120 -0.801 -1.454 1.00 . A A . 12 ALA C 1 1 6 2619 1 1 13 ALA CA C -12.127 -1.954 -1.304 1.00 . A A . 12 ALA CA 1 1 6 2620 1 1 13 ALA CB C -11.953 -2.672 -2.631 1.00 . A A . 12 ALA CB 1 1 6 2621 1 1 13 ALA H H -12.999 -3.724 -0.553 1.00 . A A . 12 ALA H 1 1 6 2622 1 1 13 ALA HA H -11.172 -1.552 -1.014 1.00 . A A . 12 ALA HA 1 1 6 2623 1 1 13 ALA HB1 H -12.915 -3.011 -2.983 1.00 . A A . 12 ALA HB1 1 1 6 2624 1 1 13 ALA HB2 H -11.301 -3.522 -2.496 1.00 . A A . 12 ALA HB2 1 1 6 2625 1 1 13 ALA HB3 H -11.521 -1.995 -3.353 1.00 . A A . 12 ALA HB3 1 1 6 2626 1 1 13 ALA N N -12.541 -2.906 -0.277 1.00 . A A . 12 ALA N 1 1 6 2627 1 1 13 ALA O O -13.197 -0.172 -2.510 1.00 . A A . 12 ALA O 1 1 6 2628 1 1 14 THR C C -14.069 1.899 -0.650 1.00 . A A . 13 THR C 1 1 6 2629 1 1 14 THR CA C -14.803 0.587 -0.380 1.00 . A A . 13 THR CA 1 1 6 2630 1 1 14 THR CB C -15.540 0.664 0.966 1.00 . A A . 13 THR CB 1 1 6 2631 1 1 14 THR CG2 C -16.589 -0.431 1.073 1.00 . A A . 13 THR CG2 1 1 6 2632 1 1 14 THR H H -13.781 -1.088 0.402 1.00 . A A . 13 THR H 1 1 6 2633 1 1 14 THR HA H -15.532 0.425 -1.160 1.00 . A A . 13 THR HA 1 1 6 2634 1 1 14 THR HB H -16.034 1.620 1.032 1.00 . A A . 13 THR HB 1 1 6 2635 1 1 14 THR HG1 H -13.704 0.650 1.692 1.00 . A A . 13 THR HG1 1 1 6 2636 1 1 14 THR HG21 H -17.121 -0.332 2.007 1.00 . A A . 13 THR HG21 1 1 6 2637 1 1 14 THR HG22 H -16.108 -1.398 1.034 1.00 . A A . 13 THR HG22 1 1 6 2638 1 1 14 THR HG23 H -17.284 -0.343 0.251 1.00 . A A . 13 THR HG23 1 1 6 2639 1 1 14 THR N N -13.868 -0.527 -0.395 1.00 . A A . 13 THR N 1 1 6 2640 1 1 14 THR O O -13.008 2.132 -0.079 1.00 . A A . 13 THR O 1 1 6 2641 1 1 14 THR OG1 O -14.598 0.544 2.042 1.00 . A A . 13 THR OG1 1 1 6 2642 1 1 15 PRO C C -13.166 4.748 -0.967 1.00 . A A . 14 PRO C 1 1 6 2643 1 1 15 PRO CA C -13.986 3.988 -2.014 1.00 . A A . 14 PRO CA 1 1 6 2644 1 1 15 PRO CB C -15.175 4.834 -2.465 1.00 . A A . 14 PRO CB 1 1 6 2645 1 1 15 PRO CD C -15.982 2.590 -2.105 1.00 . A A . 14 PRO CD 1 1 6 2646 1 1 15 PRO CG C -16.207 3.855 -2.906 1.00 . A A . 14 PRO CG 1 1 6 2647 1 1 15 PRO HA H -13.356 3.776 -2.866 1.00 . A A . 14 PRO HA 1 1 6 2648 1 1 15 PRO HB2 H -15.535 5.431 -1.636 1.00 . A A . 14 PRO HB2 1 1 6 2649 1 1 15 PRO HB3 H -14.892 5.471 -3.289 1.00 . A A . 14 PRO HB3 1 1 6 2650 1 1 15 PRO HD2 H -16.727 2.497 -1.327 1.00 . A A . 14 PRO HD2 1 1 6 2651 1 1 15 PRO HD3 H -16.011 1.725 -2.752 1.00 . A A . 14 PRO HD3 1 1 6 2652 1 1 15 PRO HG2 H -17.194 4.258 -2.708 1.00 . A A . 14 PRO HG2 1 1 6 2653 1 1 15 PRO HG3 H -16.090 3.650 -3.961 1.00 . A A . 14 PRO HG3 1 1 6 2654 1 1 15 PRO N N -14.636 2.759 -1.521 1.00 . A A . 14 PRO N 1 1 6 2655 1 1 15 PRO O O -12.006 5.086 -1.206 1.00 . A A . 14 PRO O 1 1 6 2656 1 1 16 GLU C C -11.901 5.093 1.813 1.00 . A A . 15 GLU C 1 1 6 2657 1 1 16 GLU CA C -13.110 5.811 1.222 1.00 . A A . 15 GLU CA 1 1 6 2658 1 1 16 GLU CB C -14.101 6.151 2.332 1.00 . A A . 15 GLU CB 1 1 6 2659 1 1 16 GLU CD C -16.230 7.319 2.988 1.00 . A A . 15 GLU CD 1 1 6 2660 1 1 16 GLU CG C -15.293 6.960 1.858 1.00 . A A . 15 GLU CG 1 1 6 2661 1 1 16 GLU H H -14.648 4.615 0.371 1.00 . A A . 15 GLU H 1 1 6 2662 1 1 16 GLU HA H -12.777 6.724 0.756 1.00 . A A . 15 GLU HA 1 1 6 2663 1 1 16 GLU HB2 H -14.469 5.233 2.762 1.00 . A A . 15 GLU HB2 1 1 6 2664 1 1 16 GLU HB3 H -13.589 6.717 3.095 1.00 . A A . 15 GLU HB3 1 1 6 2665 1 1 16 GLU HG2 H -14.938 7.872 1.402 1.00 . A A . 15 GLU HG2 1 1 6 2666 1 1 16 GLU HG3 H -15.836 6.381 1.129 1.00 . A A . 15 GLU HG3 1 1 6 2667 1 1 16 GLU N N -13.759 4.997 0.194 1.00 . A A . 15 GLU N 1 1 6 2668 1 1 16 GLU O O -10.876 5.709 2.115 1.00 . A A . 15 GLU O 1 1 6 2669 1 1 16 GLU OE1 O -17.038 6.455 3.389 1.00 . A A . 15 GLU OE1 1 1 6 2670 1 1 16 GLU OE2 O -16.174 8.465 3.477 1.00 . A A . 15 GLU OE2 1 1 6 2671 1 1 17 LYS C C -9.935 2.628 1.468 1.00 . A A . 16 LYS C 1 1 6 2672 1 1 17 LYS CA C -10.968 2.974 2.536 1.00 . A A . 16 LYS CA 1 1 6 2673 1 1 17 LYS CB C -11.567 1.702 3.144 1.00 . A A . 16 LYS CB 1 1 6 2674 1 1 17 LYS CD C -11.248 -0.368 4.517 1.00 . A A . 16 LYS CD 1 1 6 2675 1 1 17 LYS CE C -10.261 -1.241 5.272 1.00 . A A . 16 LYS CE 1 1 6 2676 1 1 17 LYS CG C -10.565 0.832 3.882 1.00 . A A . 16 LYS CG 1 1 6 2677 1 1 17 LYS H H -12.846 3.352 1.652 1.00 . A A . 16 LYS H 1 1 6 2678 1 1 17 LYS HA H -10.491 3.552 3.313 1.00 . A A . 16 LYS HA 1 1 6 2679 1 1 17 LYS HB2 H -12.342 1.985 3.844 1.00 . A A . 16 LYS HB2 1 1 6 2680 1 1 17 LYS HB3 H -12.006 1.110 2.351 1.00 . A A . 16 LYS HB3 1 1 6 2681 1 1 17 LYS HD2 H -12.003 -0.017 5.205 1.00 . A A . 16 LYS HD2 1 1 6 2682 1 1 17 LYS HD3 H -11.714 -0.955 3.739 1.00 . A A . 16 LYS HD3 1 1 6 2683 1 1 17 LYS HE2 H -10.793 -2.077 5.700 1.00 . A A . 16 LYS HE2 1 1 6 2684 1 1 17 LYS HE3 H -9.520 -1.607 4.576 1.00 . A A . 16 LYS HE3 1 1 6 2685 1 1 17 LYS HG2 H -9.819 0.483 3.183 1.00 . A A . 16 LYS HG2 1 1 6 2686 1 1 17 LYS HG3 H -10.092 1.419 4.657 1.00 . A A . 16 LYS HG3 1 1 6 2687 1 1 17 LYS HZ1 H -8.964 -1.140 6.902 1.00 . A A . 16 LYS HZ1 1 1 6 2688 1 1 17 LYS HZ2 H -10.277 -0.078 7.007 1.00 . A A . 16 LYS HZ2 1 1 6 2689 1 1 17 LYS HZ3 H -8.993 0.264 5.961 1.00 . A A . 16 LYS HZ3 1 1 6 2690 1 1 17 LYS N N -12.025 3.787 1.957 1.00 . A A . 16 LYS N 1 1 6 2691 1 1 17 LYS NZ N -9.576 -0.496 6.361 1.00 . A A . 16 LYS NZ 1 1 6 2692 1 1 17 LYS O O -8.753 2.446 1.761 1.00 . A A . 16 LYS O 1 1 6 2693 1 1 18 LEU C C -8.563 3.447 -1.119 1.00 . A A . 17 LEU C 1 1 6 2694 1 1 18 LEU CA C -9.525 2.285 -0.908 1.00 . A A . 17 LEU CA 1 1 6 2695 1 1 18 LEU CB C -10.370 2.051 -2.162 1.00 . A A . 17 LEU CB 1 1 6 2696 1 1 18 LEU CD1 C -8.836 0.338 -3.149 1.00 . A A . 17 LEU CD1 1 1 6 2697 1 1 18 LEU CD2 C -10.568 1.432 -4.565 1.00 . A A . 17 LEU CD2 1 1 6 2698 1 1 18 LEU CG C -9.603 1.622 -3.410 1.00 . A A . 17 LEU CG 1 1 6 2699 1 1 18 LEU H H -11.351 2.706 0.062 1.00 . A A . 17 LEU H 1 1 6 2700 1 1 18 LEU HA H -8.963 1.394 -0.688 1.00 . A A . 17 LEU HA 1 1 6 2701 1 1 18 LEU HB2 H -11.100 1.285 -1.941 1.00 . A A . 17 LEU HB2 1 1 6 2702 1 1 18 LEU HB3 H -10.893 2.967 -2.390 1.00 . A A . 17 LEU HB3 1 1 6 2703 1 1 18 LEU HD11 H -8.137 0.497 -2.343 1.00 . A A . 17 LEU HD11 1 1 6 2704 1 1 18 LEU HD12 H -8.300 0.049 -4.041 1.00 . A A . 17 LEU HD12 1 1 6 2705 1 1 18 LEU HD13 H -9.527 -0.444 -2.874 1.00 . A A . 17 LEU HD13 1 1 6 2706 1 1 18 LEU HD21 H -10.019 1.166 -5.454 1.00 . A A . 17 LEU HD21 1 1 6 2707 1 1 18 LEU HD22 H -11.109 2.352 -4.733 1.00 . A A . 17 LEU HD22 1 1 6 2708 1 1 18 LEU HD23 H -11.266 0.644 -4.320 1.00 . A A . 17 LEU HD23 1 1 6 2709 1 1 18 LEU HG H -8.896 2.391 -3.682 1.00 . A A . 17 LEU HG 1 1 6 2710 1 1 18 LEU N N -10.392 2.563 0.224 1.00 . A A . 17 LEU N 1 1 6 2711 1 1 18 LEU O O -7.403 3.261 -1.486 1.00 . A A . 17 LEU O 1 1 6 2712 1 1 19 ALA C C -7.169 5.829 0.145 1.00 . A A . 18 ALA C 1 1 6 2713 1 1 19 ALA CA C -8.249 5.851 -0.929 1.00 . A A . 18 ALA CA 1 1 6 2714 1 1 19 ALA CB C -9.128 7.081 -0.775 1.00 . A A . 18 ALA CB 1 1 6 2715 1 1 19 ALA H H -10.006 4.728 -0.622 1.00 . A A . 18 ALA H 1 1 6 2716 1 1 19 ALA HA H -7.783 5.887 -1.901 1.00 . A A . 18 ALA HA 1 1 6 2717 1 1 19 ALA HB1 H -8.523 7.971 -0.861 1.00 . A A . 18 ALA HB1 1 1 6 2718 1 1 19 ALA HB2 H -9.605 7.060 0.194 1.00 . A A . 18 ALA HB2 1 1 6 2719 1 1 19 ALA HB3 H -9.883 7.081 -1.547 1.00 . A A . 18 ALA HB3 1 1 6 2720 1 1 19 ALA N N -9.059 4.648 -0.858 1.00 . A A . 18 ALA N 1 1 6 2721 1 1 19 ALA O O -6.032 6.245 -0.088 1.00 . A A . 18 ALA O 1 1 6 2722 1 1 20 LYS C C -5.576 4.095 2.110 1.00 . A A . 19 LYS C 1 1 6 2723 1 1 20 LYS CA C -6.586 5.197 2.421 1.00 . A A . 19 LYS CA 1 1 6 2724 1 1 20 LYS CB C -7.324 4.895 3.728 1.00 . A A . 19 LYS CB 1 1 6 2725 1 1 20 LYS CD C -7.202 4.649 6.227 1.00 . A A . 19 LYS CD 1 1 6 2726 1 1 20 LYS CE C -6.315 4.749 7.459 1.00 . A A . 19 LYS CE 1 1 6 2727 1 1 20 LYS CG C -6.436 4.983 4.957 1.00 . A A . 19 LYS CG 1 1 6 2728 1 1 20 LYS H H -8.462 5.054 1.454 1.00 . A A . 19 LYS H 1 1 6 2729 1 1 20 LYS HA H -6.060 6.135 2.522 1.00 . A A . 19 LYS HA 1 1 6 2730 1 1 20 LYS HB2 H -8.135 5.600 3.841 1.00 . A A . 19 LYS HB2 1 1 6 2731 1 1 20 LYS HB3 H -7.732 3.896 3.675 1.00 . A A . 19 LYS HB3 1 1 6 2732 1 1 20 LYS HD2 H -8.025 5.341 6.331 1.00 . A A . 19 LYS HD2 1 1 6 2733 1 1 20 LYS HD3 H -7.585 3.642 6.150 1.00 . A A . 19 LYS HD3 1 1 6 2734 1 1 20 LYS HE2 H -5.912 5.748 7.514 1.00 . A A . 19 LYS HE2 1 1 6 2735 1 1 20 LYS HE3 H -6.917 4.557 8.335 1.00 . A A . 19 LYS HE3 1 1 6 2736 1 1 20 LYS HG2 H -5.619 4.287 4.847 1.00 . A A . 19 LYS HG2 1 1 6 2737 1 1 20 LYS HG3 H -6.046 5.987 5.037 1.00 . A A . 19 LYS HG3 1 1 6 2738 1 1 20 LYS HZ1 H -4.601 3.942 6.579 1.00 . A A . 19 LYS HZ1 1 1 6 2739 1 1 20 LYS HZ2 H -5.555 2.804 7.384 1.00 . A A . 19 LYS HZ2 1 1 6 2740 1 1 20 LYS HZ3 H -4.599 3.881 8.267 1.00 . A A . 19 LYS HZ3 1 1 6 2741 1 1 20 LYS N N -7.532 5.332 1.322 1.00 . A A . 19 LYS N 1 1 6 2742 1 1 20 LYS NZ N -5.191 3.777 7.420 1.00 . A A . 19 LYS NZ 1 1 6 2743 1 1 20 LYS O O -4.416 4.161 2.515 1.00 . A A . 19 LYS O 1 1 6 2744 1 1 21 4PH C33 C -2.866 -3.019 -2.400 1.00 . A A . 20 4PH C33 1 1 6 2745 1 1 21 4PH H33 H -2.495 -2.617 -3.331 1.00 . A A . 20 4PH H33 1 1 6 2746 1 1 21 4PH H33A H -2.037 -3.292 -1.767 1.00 . A A . 20 4PH H33A 1 1 6 2747 1 1 21 4PH H33B H -3.468 -3.891 -2.606 1.00 . A A . 20 4PH H33B 1 1 6 2748 1 1 22 GLN C C -2.527 4.943 -1.057 1.00 . A A . 21 GLN C 1 1 6 2749 1 1 22 GLN CA C -3.595 4.170 -1.829 1.00 . A A . 21 GLN CA 1 1 6 2750 1 1 22 GLN CB C -4.356 5.117 -2.759 1.00 . A A . 21 GLN CB 1 1 6 2751 1 1 22 GLN CD C -4.497 3.563 -4.744 1.00 . A A . 21 GLN CD 1 1 6 2752 1 1 22 GLN CG C -5.267 4.398 -3.741 1.00 . A A . 21 GLN CG 1 1 6 2753 1 1 22 GLN H H -5.477 3.703 -0.971 1.00 . A A . 21 GLN H 1 1 6 2754 1 1 22 GLN HA H -3.110 3.412 -2.425 1.00 . A A . 21 GLN HA 1 1 6 2755 1 1 22 GLN HB2 H -4.962 5.782 -2.160 1.00 . A A . 21 GLN HB2 1 1 6 2756 1 1 22 GLN HB3 H -3.644 5.701 -3.322 1.00 . A A . 21 GLN HB3 1 1 6 2757 1 1 22 GLN HE21 H -4.581 1.978 -3.552 1.00 . A A . 21 GLN HE21 1 1 6 2758 1 1 22 GLN HE22 H -3.761 1.745 -5.052 1.00 . A A . 21 GLN HE22 1 1 6 2759 1 1 22 GLN HG2 H -5.929 3.749 -3.187 1.00 . A A . 21 GLN HG2 1 1 6 2760 1 1 22 GLN HG3 H -5.849 5.133 -4.279 1.00 . A A . 21 GLN HG3 1 1 6 2761 1 1 22 GLN N N -4.517 3.496 -0.918 1.00 . A A . 21 GLN N 1 1 6 2762 1 1 22 GLN NE2 N -4.255 2.304 -4.415 1.00 . A A . 21 GLN NE2 1 1 6 2763 1 1 22 GLN O O -1.387 5.068 -1.511 1.00 . A A . 21 GLN O 1 1 6 2764 1 1 22 GLN OE1 O -4.120 4.049 -5.811 1.00 . A A . 21 GLN OE1 1 1 6 2765 1 1 23 ALA C C -0.886 5.252 1.504 1.00 . A A . 22 ALA C 1 1 6 2766 1 1 23 ALA CA C -1.975 6.176 0.966 1.00 . A A . 22 ALA CA 1 1 6 2767 1 1 23 ALA CB C -2.731 6.832 2.107 1.00 . A A . 22 ALA CB 1 1 6 2768 1 1 23 ALA H H -3.822 5.318 0.415 1.00 . A A . 22 ALA H 1 1 6 2769 1 1 23 ALA HA H -1.517 6.952 0.374 1.00 . A A . 22 ALA HA 1 1 6 2770 1 1 23 ALA HB1 H -2.048 7.414 2.704 1.00 . A A . 22 ALA HB1 1 1 6 2771 1 1 23 ALA HB2 H -3.188 6.067 2.718 1.00 . A A . 22 ALA HB2 1 1 6 2772 1 1 23 ALA HB3 H -3.498 7.476 1.704 1.00 . A A . 22 ALA HB3 1 1 6 2773 1 1 23 ALA N N -2.898 5.445 0.113 1.00 . A A . 22 ALA N 1 1 6 2774 1 1 23 ALA O O 0.289 5.617 1.555 1.00 . A A . 22 ALA O 1 1 6 2775 1 1 24 ASP C C 0.592 2.603 1.259 1.00 . A A . 23 ASP C 1 1 6 2776 1 1 24 ASP CA C -0.337 3.048 2.386 1.00 . A A . 23 ASP CA 1 1 6 2777 1 1 24 ASP CB C -1.071 1.837 2.968 1.00 . A A . 23 ASP CB 1 1 6 2778 1 1 24 ASP CG C -0.150 0.931 3.764 1.00 . A A . 23 ASP CG 1 1 6 2779 1 1 24 ASP H H -2.241 3.824 1.849 1.00 . A A . 23 ASP H 1 1 6 2780 1 1 24 ASP HA H 0.256 3.510 3.162 1.00 . A A . 23 ASP HA 1 1 6 2781 1 1 24 ASP HB2 H -1.865 2.175 3.617 1.00 . A A . 23 ASP HB2 1 1 6 2782 1 1 24 ASP HB3 H -1.493 1.261 2.159 1.00 . A A . 23 ASP HB3 1 1 6 2783 1 1 24 ASP N N -1.285 4.045 1.890 1.00 . A A . 23 ASP N 1 1 6 2784 1 1 24 ASP O O 1.764 2.293 1.484 1.00 . A A . 23 ASP O 1 1 6 2785 1 1 24 ASP OD1 O 0.371 1.373 4.811 1.00 . A A . 23 ASP OD1 1 1 6 2786 1 1 24 ASP OD2 O 0.045 -0.235 3.357 1.00 . A A . 23 ASP OD2 1 1 6 2787 1 1 25 LEU C C 1.881 3.338 -1.426 1.00 . A A . 24 LEU C 1 1 6 2788 1 1 25 LEU CA C 0.852 2.259 -1.141 1.00 . A A . 24 LEU CA 1 1 6 2789 1 1 25 LEU CB C -0.037 2.045 -2.372 1.00 . A A . 24 LEU CB 1 1 6 2790 1 1 25 LEU CD1 C 0.525 -0.326 -2.974 1.00 . A A . 24 LEU CD1 1 1 6 2791 1 1 25 LEU CD2 C -1.229 0.137 -1.276 1.00 . A A . 24 LEU CD2 1 1 6 2792 1 1 25 LEU CG C -0.583 0.626 -2.554 1.00 . A A . 24 LEU CG 1 1 6 2793 1 1 25 LEU H H -0.896 2.786 -0.063 1.00 . A A . 24 LEU H 1 1 6 2794 1 1 25 LEU HA H 1.374 1.339 -0.930 1.00 . A A . 24 LEU HA 1 1 6 2795 1 1 25 LEU HB2 H -0.877 2.722 -2.303 1.00 . A A . 24 LEU HB2 1 1 6 2796 1 1 25 LEU HB3 H 0.538 2.299 -3.251 1.00 . A A . 24 LEU HB3 1 1 6 2797 1 1 25 LEU HD11 H 1.294 -0.345 -2.215 1.00 . A A . 24 LEU HD11 1 1 6 2798 1 1 25 LEU HD12 H 0.951 0.009 -3.909 1.00 . A A . 24 LEU HD12 1 1 6 2799 1 1 25 LEU HD13 H 0.117 -1.318 -3.099 1.00 . A A . 24 LEU HD13 1 1 6 2800 1 1 25 LEU HD21 H -0.493 0.117 -0.485 1.00 . A A . 24 LEU HD21 1 1 6 2801 1 1 25 LEU HD22 H -1.622 -0.858 -1.428 1.00 . A A . 24 LEU HD22 1 1 6 2802 1 1 25 LEU HD23 H -2.033 0.805 -1.001 1.00 . A A . 24 LEU HD23 1 1 6 2803 1 1 25 LEU HG H -1.334 0.631 -3.331 1.00 . A A . 24 LEU HG 1 1 6 2804 1 1 25 LEU N N 0.059 2.586 0.041 1.00 . A A . 24 LEU N 1 1 6 2805 1 1 25 LEU O O 2.969 3.044 -1.907 1.00 . A A . 24 LEU O 1 1 6 2806 1 1 26 ALA C C 3.655 5.490 -0.334 1.00 . A A . 25 ALA C 1 1 6 2807 1 1 26 ALA CA C 2.478 5.680 -1.281 1.00 . A A . 25 ALA CA 1 1 6 2808 1 1 26 ALA CB C 1.789 7.010 -1.028 1.00 . A A . 25 ALA CB 1 1 6 2809 1 1 26 ALA H H 0.630 4.767 -0.796 1.00 . A A . 25 ALA H 1 1 6 2810 1 1 26 ALA HA H 2.843 5.673 -2.299 1.00 . A A . 25 ALA HA 1 1 6 2811 1 1 26 ALA HB1 H 2.494 7.814 -1.173 1.00 . A A . 25 ALA HB1 1 1 6 2812 1 1 26 ALA HB2 H 1.418 7.035 -0.014 1.00 . A A . 25 ALA HB2 1 1 6 2813 1 1 26 ALA HB3 H 0.965 7.124 -1.714 1.00 . A A . 25 ALA HB3 1 1 6 2814 1 1 26 ALA N N 1.537 4.582 -1.128 1.00 . A A . 25 ALA N 1 1 6 2815 1 1 26 ALA O O 4.807 5.722 -0.700 1.00 . A A . 25 ALA O 1 1 6 2816 1 1 27 LYS C C 5.258 3.587 1.346 1.00 . A A . 26 LYS C 1 1 6 2817 1 1 27 LYS CA C 4.375 4.718 1.862 1.00 . A A . 26 LYS CA 1 1 6 2818 1 1 27 LYS CB C 3.734 4.296 3.188 1.00 . A A . 26 LYS CB 1 1 6 2819 1 1 27 LYS CD C 2.150 4.800 5.057 1.00 . A A . 26 LYS CD 1 1 6 2820 1 1 27 LYS CE C 1.182 5.802 5.663 1.00 . A A . 26 LYS CE 1 1 6 2821 1 1 27 LYS CG C 2.853 5.356 3.829 1.00 . A A . 26 LYS CG 1 1 6 2822 1 1 27 LYS H H 2.408 4.901 1.113 1.00 . A A . 26 LYS H 1 1 6 2823 1 1 27 LYS HA H 4.978 5.599 2.017 1.00 . A A . 26 LYS HA 1 1 6 2824 1 1 27 LYS HB2 H 3.128 3.420 3.014 1.00 . A A . 26 LYS HB2 1 1 6 2825 1 1 27 LYS HB3 H 4.518 4.042 3.884 1.00 . A A . 26 LYS HB3 1 1 6 2826 1 1 27 LYS HD2 H 1.601 3.914 4.775 1.00 . A A . 26 LYS HD2 1 1 6 2827 1 1 27 LYS HD3 H 2.894 4.540 5.797 1.00 . A A . 26 LYS HD3 1 1 6 2828 1 1 27 LYS HE2 H 0.491 6.122 4.898 1.00 . A A . 26 LYS HE2 1 1 6 2829 1 1 27 LYS HE3 H 0.636 5.318 6.459 1.00 . A A . 26 LYS HE3 1 1 6 2830 1 1 27 LYS HG2 H 3.466 6.196 4.123 1.00 . A A . 26 LYS HG2 1 1 6 2831 1 1 27 LYS HG3 H 2.111 5.680 3.114 1.00 . A A . 26 LYS HG3 1 1 6 2832 1 1 27 LYS HZ1 H 2.419 7.472 5.463 1.00 . A A . 26 LYS HZ1 1 1 6 2833 1 1 27 LYS HZ2 H 2.536 6.707 6.965 1.00 . A A . 26 LYS HZ2 1 1 6 2834 1 1 27 LYS HZ3 H 1.189 7.662 6.607 1.00 . A A . 26 LYS HZ3 1 1 6 2835 1 1 27 LYS N N 3.351 5.033 0.877 1.00 . A A . 26 LYS N 1 1 6 2836 1 1 27 LYS NZ N 1.880 6.994 6.211 1.00 . A A . 26 LYS NZ 1 1 6 2837 1 1 27 LYS O O 6.483 3.633 1.462 1.00 . A A . 26 LYS O 1 1 6 2838 1 1 28 4PH C33 C 6.604 -3.820 -3.278 1.00 . A A . 27 4PH C33 1 1 6 2839 1 1 28 4PH H33 H 6.902 -4.642 -2.646 1.00 . A A . 27 4PH H33 1 1 6 2840 1 1 28 4PH H33A H 5.886 -4.160 -4.008 1.00 . A A . 27 4PH H33A 1 1 6 2841 1 1 28 4PH H33B H 7.477 -3.424 -3.780 1.00 . A A . 27 4PH H33B 1 1 6 2842 1 1 29 GLN C C 7.496 3.626 -2.933 1.00 . A A . 28 GLN C 1 1 6 2843 1 1 29 GLN CA C 6.285 2.737 -3.186 1.00 . A A . 28 GLN CA 1 1 6 2844 1 1 29 GLN CB C 5.346 3.405 -4.195 1.00 . A A . 28 GLN CB 1 1 6 2845 1 1 29 GLN CD C 3.435 3.141 -5.831 1.00 . A A . 28 GLN CD 1 1 6 2846 1 1 29 GLN CG C 4.296 2.466 -4.781 1.00 . A A . 28 GLN CG 1 1 6 2847 1 1 29 GLN H H 4.644 2.696 -1.842 1.00 . A A . 28 GLN H 1 1 6 2848 1 1 29 GLN HA H 6.632 1.804 -3.603 1.00 . A A . 28 GLN HA 1 1 6 2849 1 1 29 GLN HB2 H 4.832 4.223 -3.706 1.00 . A A . 28 GLN HB2 1 1 6 2850 1 1 29 GLN HB3 H 5.938 3.802 -5.007 1.00 . A A . 28 GLN HB3 1 1 6 2851 1 1 29 GLN HE21 H 1.907 1.954 -5.397 1.00 . A A . 28 GLN HE21 1 1 6 2852 1 1 29 GLN HE22 H 1.627 3.109 -6.647 1.00 . A A . 28 GLN HE22 1 1 6 2853 1 1 29 GLN HG2 H 4.795 1.622 -5.238 1.00 . A A . 28 GLN HG2 1 1 6 2854 1 1 29 GLN HG3 H 3.656 2.114 -3.984 1.00 . A A . 28 GLN HG3 1 1 6 2855 1 1 29 GLN N N 5.585 2.422 -1.945 1.00 . A A . 28 GLN N 1 1 6 2856 1 1 29 GLN NE2 N 2.198 2.691 -5.971 1.00 . A A . 28 GLN NE2 1 1 6 2857 1 1 29 GLN O O 8.546 3.439 -3.542 1.00 . A A . 28 GLN O 1 1 6 2858 1 1 29 GLN OE1 O 3.885 4.058 -6.519 1.00 . A A . 28 GLN OE1 1 1 6 2859 1 1 30 LYS C C 9.569 4.788 -0.972 1.00 . A A . 29 LYS C 1 1 6 2860 1 1 30 LYS CA C 8.442 5.497 -1.722 1.00 . A A . 29 LYS CA 1 1 6 2861 1 1 30 LYS CB C 7.927 6.692 -0.912 1.00 . A A . 29 LYS CB 1 1 6 2862 1 1 30 LYS CD C 9.603 8.268 -1.959 1.00 . A A . 29 LYS CD 1 1 6 2863 1 1 30 LYS CE C 8.577 8.914 -2.878 1.00 . A A . 29 LYS CE 1 1 6 2864 1 1 30 LYS CG C 8.980 7.765 -0.661 1.00 . A A . 29 LYS CG 1 1 6 2865 1 1 30 LYS H H 6.504 4.664 -1.540 1.00 . A A . 29 LYS H 1 1 6 2866 1 1 30 LYS HA H 8.830 5.856 -2.663 1.00 . A A . 29 LYS HA 1 1 6 2867 1 1 30 LYS HB2 H 7.104 7.143 -1.443 1.00 . A A . 29 LYS HB2 1 1 6 2868 1 1 30 LYS HB3 H 7.574 6.337 0.044 1.00 . A A . 29 LYS HB3 1 1 6 2869 1 1 30 LYS HD2 H 10.359 8.998 -1.720 1.00 . A A . 29 LYS HD2 1 1 6 2870 1 1 30 LYS HD3 H 10.060 7.435 -2.474 1.00 . A A . 29 LYS HD3 1 1 6 2871 1 1 30 LYS HE2 H 9.061 9.184 -3.803 1.00 . A A . 29 LYS HE2 1 1 6 2872 1 1 30 LYS HE3 H 7.792 8.200 -3.080 1.00 . A A . 29 LYS HE3 1 1 6 2873 1 1 30 LYS HG2 H 8.516 8.596 -0.153 1.00 . A A . 29 LYS HG2 1 1 6 2874 1 1 30 LYS HG3 H 9.758 7.349 -0.037 1.00 . A A . 29 LYS HG3 1 1 6 2875 1 1 30 LYS HZ1 H 7.344 10.593 -2.957 1.00 . A A . 29 LYS HZ1 1 1 6 2876 1 1 30 LYS HZ2 H 8.725 10.804 -2.006 1.00 . A A . 29 LYS HZ2 1 1 6 2877 1 1 30 LYS HZ3 H 7.429 9.882 -1.426 1.00 . A A . 29 LYS HZ3 1 1 6 2878 1 1 30 LYS N N 7.356 4.577 -2.020 1.00 . A A . 29 LYS N 1 1 6 2879 1 1 30 LYS NZ N 7.979 10.132 -2.274 1.00 . A A . 29 LYS NZ 1 1 6 2880 1 1 30 LYS O O 10.746 4.975 -1.284 1.00 . A A . 29 LYS O 1 1 6 2881 1 1 31 ASP C C 10.872 2.160 -0.067 1.00 . A A . 30 ASP C 1 1 6 2882 1 1 31 ASP CA C 10.206 3.235 0.787 1.00 . A A . 30 ASP CA 1 1 6 2883 1 1 31 ASP CB C 9.577 2.613 2.041 1.00 . A A . 30 ASP CB 1 1 6 2884 1 1 31 ASP CG C 10.611 1.992 2.959 1.00 . A A . 30 ASP CG 1 1 6 2885 1 1 31 ASP H H 8.251 3.831 0.195 1.00 . A A . 30 ASP H 1 1 6 2886 1 1 31 ASP HA H 10.962 3.947 1.090 1.00 . A A . 30 ASP HA 1 1 6 2887 1 1 31 ASP HB2 H 9.050 3.378 2.594 1.00 . A A . 30 ASP HB2 1 1 6 2888 1 1 31 ASP HB3 H 8.878 1.844 1.745 1.00 . A A . 30 ASP HB3 1 1 6 2889 1 1 31 ASP N N 9.206 3.960 0.001 1.00 . A A . 30 ASP N 1 1 6 2890 1 1 31 ASP O O 12.048 1.837 0.119 1.00 . A A . 30 ASP O 1 1 6 2891 1 1 31 ASP OD1 O 11.430 2.742 3.532 1.00 . A A . 30 ASP OD1 1 1 6 2892 1 1 31 ASP OD2 O 10.603 0.756 3.131 1.00 . A A . 30 ASP OD2 1 1 6 2893 1 1 32 LEU C C 11.596 1.340 -2.922 1.00 . A A . 31 LEU C 1 1 6 2894 1 1 32 LEU CA C 10.630 0.646 -1.964 1.00 . A A . 31 LEU CA 1 1 6 2895 1 1 32 LEU CB C 9.464 0.007 -2.740 1.00 . A A . 31 LEU CB 1 1 6 2896 1 1 32 LEU CD1 C 10.767 -1.383 -4.399 1.00 . A A . 31 LEU CD1 1 1 6 2897 1 1 32 LEU CD2 C 10.077 -2.365 -2.211 1.00 . A A . 31 LEU CD2 1 1 6 2898 1 1 32 LEU CG C 9.702 -1.396 -3.317 1.00 . A A . 31 LEU CG 1 1 6 2899 1 1 32 LEU H H 9.163 1.873 -1.063 1.00 . A A . 31 LEU H 1 1 6 2900 1 1 32 LEU HA H 11.160 -0.114 -1.413 1.00 . A A . 31 LEU HA 1 1 6 2901 1 1 32 LEU HB2 H 8.610 -0.047 -2.080 1.00 . A A . 31 LEU HB2 1 1 6 2902 1 1 32 LEU HB3 H 9.215 0.663 -3.559 1.00 . A A . 31 LEU HB3 1 1 6 2903 1 1 32 LEU HD11 H 10.912 -2.386 -4.772 1.00 . A A . 31 LEU HD11 1 1 6 2904 1 1 32 LEU HD12 H 11.694 -1.016 -3.986 1.00 . A A . 31 LEU HD12 1 1 6 2905 1 1 32 LEU HD13 H 10.452 -0.740 -5.207 1.00 . A A . 31 LEU HD13 1 1 6 2906 1 1 32 LEU HD21 H 10.146 -3.363 -2.616 1.00 . A A . 31 LEU HD21 1 1 6 2907 1 1 32 LEU HD22 H 9.320 -2.337 -1.440 1.00 . A A . 31 LEU HD22 1 1 6 2908 1 1 32 LEU HD23 H 11.030 -2.080 -1.791 1.00 . A A . 31 LEU HD23 1 1 6 2909 1 1 32 LEU HG H 8.784 -1.747 -3.765 1.00 . A A . 31 LEU HG 1 1 6 2910 1 1 32 LEU N N 10.111 1.619 -1.013 1.00 . A A . 31 LEU N 1 1 6 2911 1 1 32 LEU O O 12.652 0.807 -3.254 1.00 . A A . 31 LEU O 1 1 6 2912 1 1 33 ALA C C 13.396 3.658 -3.628 1.00 . A A . 32 ALA C 1 1 6 2913 1 1 33 ALA CA C 12.042 3.338 -4.248 1.00 . A A . 32 ALA CA 1 1 6 2914 1 1 33 ALA CB C 11.316 4.619 -4.614 1.00 . A A . 32 ALA CB 1 1 6 2915 1 1 33 ALA H H 10.355 2.897 -3.062 1.00 . A A . 32 ALA H 1 1 6 2916 1 1 33 ALA HA H 12.195 2.769 -5.150 1.00 . A A . 32 ALA HA 1 1 6 2917 1 1 33 ALA HB1 H 10.348 4.377 -5.027 1.00 . A A . 32 ALA HB1 1 1 6 2918 1 1 33 ALA HB2 H 11.894 5.166 -5.344 1.00 . A A . 32 ALA HB2 1 1 6 2919 1 1 33 ALA HB3 H 11.187 5.224 -3.728 1.00 . A A . 32 ALA HB3 1 1 6 2920 1 1 33 ALA N N 11.222 2.541 -3.349 1.00 . A A . 32 ALA N 1 1 6 2921 1 1 33 ALA O O 14.424 3.638 -4.308 1.00 . A A . 32 ALA O 1 1 6 2922 1 1 34 ASP C C 15.451 2.949 -1.450 1.00 . A A . 33 ASP C 1 1 6 2923 1 1 34 ASP CA C 14.627 4.225 -1.612 1.00 . A A . 33 ASP CA 1 1 6 2924 1 1 34 ASP CB C 14.328 4.839 -0.242 1.00 . A A . 33 ASP CB 1 1 6 2925 1 1 34 ASP CG C 15.577 5.002 0.601 1.00 . A A . 33 ASP CG 1 1 6 2926 1 1 34 ASP H H 12.530 4.013 -1.868 1.00 . A A . 33 ASP H 1 1 6 2927 1 1 34 ASP HA H 15.200 4.929 -2.193 1.00 . A A . 33 ASP HA 1 1 6 2928 1 1 34 ASP HB2 H 13.880 5.812 -0.379 1.00 . A A . 33 ASP HB2 1 1 6 2929 1 1 34 ASP HB3 H 13.638 4.201 0.290 1.00 . A A . 33 ASP HB3 1 1 6 2930 1 1 34 ASP N N 13.390 3.956 -2.339 1.00 . A A . 33 ASP N 1 1 6 2931 1 1 34 ASP O O 16.682 2.987 -1.466 1.00 . A A . 33 ASP O 1 1 6 2932 1 1 34 ASP OD1 O 16.407 5.873 0.273 1.00 . A A . 33 ASP OD1 1 1 6 2933 1 1 34 ASP OD2 O 15.732 4.267 1.602 1.00 . A A . 33 ASP OD2 1 1 6 2934 1 1 35 4PH C33 C 16.652 -5.661 0.148 1.00 . A A . 34 4PH C33 1 1 6 2935 1 1 35 4PH H33 H 17.616 -5.718 -0.332 1.00 . A A . 34 4PH H33 1 1 6 2936 1 1 35 4PH H33A H 16.764 -5.822 1.210 1.00 . A A . 34 4PH H33A 1 1 6 2937 1 1 35 4PH H33B H 16.003 -6.417 -0.273 1.00 . A A . 34 4PH H33B 1 1 6 2938 1 1 36 NH2 HN1 H 17.875 0.184 -1.578 1.00 . A A . 35 NH2 HN1 1 1 6 2939 1 1 36 NH2 HN2 H 17.889 -0.235 -3.254 1.00 . A A . 35 NH2 HN2 1 1 6 2940 1 1 36 NH2 N N 17.421 0.017 -2.431 1.00 . A A . 35 NH2 N 1 1 7 2941 1 1 1 ACE C C 12.636 -1.762 5.972 1.00 . A A . 0 ACE C 1 1 7 2942 1 1 1 ACE CH3 C 11.650 -0.623 5.957 1.00 . A A . 0 ACE CH3 1 1 7 2943 1 1 1 ACE H1 H 11.511 -0.297 4.933 1.00 . A A . 0 ACE H1 1 1 7 2944 1 1 1 ACE H2 H 12.034 0.189 6.544 1.00 . A A . 0 ACE H2 1 1 7 2945 1 1 1 ACE H3 H 10.716 -0.970 6.388 1.00 . A A . 0 ACE H3 1 1 7 2946 1 1 1 ACE O O 13.827 -1.562 5.731 1.00 . A A . 0 ACE O 1 1 7 2947 1 1 2 PRO C C 10.049 -3.213 4.946 1.00 . A A . 1 PRO C 1 1 7 2948 1 1 2 PRO CA C 11.413 -3.808 5.290 1.00 . A A . 1 PRO CA 1 1 7 2949 1 1 2 PRO CB C 11.240 -5.153 6.010 1.00 . A A . 1 PRO CB 1 1 7 2950 1 1 2 PRO CD C 12.321 -3.673 7.539 1.00 . A A . 1 PRO CD 1 1 7 2951 1 1 2 PRO CG C 12.179 -5.119 7.166 1.00 . A A . 1 PRO CG 1 1 7 2952 1 1 2 PRO HA H 11.974 -3.960 4.379 1.00 . A A . 1 PRO HA 1 1 7 2953 1 1 2 PRO HB2 H 10.216 -5.257 6.348 1.00 . A A . 1 PRO HB2 1 1 7 2954 1 1 2 PRO HB3 H 11.498 -5.962 5.346 1.00 . A A . 1 PRO HB3 1 1 7 2955 1 1 2 PRO HD2 H 11.540 -3.382 8.226 1.00 . A A . 1 PRO HD2 1 1 7 2956 1 1 2 PRO HD3 H 13.295 -3.480 7.965 1.00 . A A . 1 PRO HD3 1 1 7 2957 1 1 2 PRO HG2 H 11.765 -5.685 7.991 1.00 . A A . 1 PRO HG2 1 1 7 2958 1 1 2 PRO HG3 H 13.139 -5.522 6.875 1.00 . A A . 1 PRO HG3 1 1 7 2959 1 1 2 PRO N N 12.168 -2.990 6.250 1.00 . A A . 1 PRO N 1 1 7 2960 1 1 2 PRO O O 9.133 -3.217 5.772 1.00 . A A . 1 PRO O 1 1 7 2961 1 1 3 PRO C C 7.621 -3.194 2.985 1.00 . A A . 2 PRO C 1 1 7 2962 1 1 3 PRO CA C 8.648 -2.103 3.257 1.00 . A A . 2 PRO CA 1 1 7 2963 1 1 3 PRO CB C 9.019 -1.388 1.949 1.00 . A A . 2 PRO CB 1 1 7 2964 1 1 3 PRO CD C 10.973 -2.546 2.730 1.00 . A A . 2 PRO CD 1 1 7 2965 1 1 3 PRO CG C 10.508 -1.401 1.876 1.00 . A A . 2 PRO CG 1 1 7 2966 1 1 3 PRO HA H 8.242 -1.392 3.964 1.00 . A A . 2 PRO HA 1 1 7 2967 1 1 3 PRO HB2 H 8.590 -1.920 1.108 1.00 . A A . 2 PRO HB2 1 1 7 2968 1 1 3 PRO HB3 H 8.661 -0.370 1.968 1.00 . A A . 2 PRO HB3 1 1 7 2969 1 1 3 PRO HD2 H 11.055 -3.452 2.146 1.00 . A A . 2 PRO HD2 1 1 7 2970 1 1 3 PRO HD3 H 11.917 -2.309 3.197 1.00 . A A . 2 PRO HD3 1 1 7 2971 1 1 3 PRO HG2 H 10.818 -1.545 0.850 1.00 . A A . 2 PRO HG2 1 1 7 2972 1 1 3 PRO HG3 H 10.900 -0.471 2.261 1.00 . A A . 2 PRO HG3 1 1 7 2973 1 1 3 PRO N N 9.910 -2.666 3.732 1.00 . A A . 2 PRO N 1 1 7 2974 1 1 3 PRO O O 7.802 -4.020 2.089 1.00 . A A . 2 PRO O 1 1 7 2975 1 1 4 THR C C 4.639 -3.920 2.422 1.00 . A A . 3 THR C 1 1 7 2976 1 1 4 THR CA C 5.518 -4.198 3.636 1.00 . A A . 3 THR CA 1 1 7 2977 1 1 4 THR CB C 4.650 -4.234 4.905 1.00 . A A . 3 THR CB 1 1 7 2978 1 1 4 THR CG2 C 5.379 -4.930 6.044 1.00 . A A . 3 THR CG2 1 1 7 2979 1 1 4 THR H H 6.457 -2.502 4.441 1.00 . A A . 3 THR H 1 1 7 2980 1 1 4 THR HA H 5.991 -5.159 3.518 1.00 . A A . 3 THR HA 1 1 7 2981 1 1 4 THR HB H 3.744 -4.777 4.690 1.00 . A A . 3 THR HB 1 1 7 2982 1 1 4 THR HG1 H 3.696 -2.927 6.035 1.00 . A A . 3 THR HG1 1 1 7 2983 1 1 4 THR HG21 H 4.743 -4.951 6.917 1.00 . A A . 3 THR HG21 1 1 7 2984 1 1 4 THR HG22 H 6.287 -4.395 6.274 1.00 . A A . 3 THR HG22 1 1 7 2985 1 1 4 THR HG23 H 5.620 -5.941 5.752 1.00 . A A . 3 THR HG23 1 1 7 2986 1 1 4 THR N N 6.556 -3.198 3.764 1.00 . A A . 3 THR N 1 1 7 2987 1 1 4 THR O O 4.069 -2.833 2.291 1.00 . A A . 3 THR O 1 1 7 2988 1 1 4 THR OG1 O 4.313 -2.897 5.297 1.00 . A A . 3 THR OG1 1 1 7 2989 1 1 5 LYS C C 2.229 -4.855 0.743 1.00 . A A . 4 LYS C 1 1 7 2990 1 1 5 LYS CA C 3.701 -4.741 0.353 1.00 . A A . 4 LYS CA 1 1 7 2991 1 1 5 LYS CB C 4.052 -5.780 -0.724 1.00 . A A . 4 LYS CB 1 1 7 2992 1 1 5 LYS CD C 3.849 -8.135 -1.558 1.00 . A A . 4 LYS CD 1 1 7 2993 1 1 5 LYS CE C 3.254 -9.509 -1.302 1.00 . A A . 4 LYS CE 1 1 7 2994 1 1 5 LYS CG C 3.575 -7.184 -0.407 1.00 . A A . 4 LYS CG 1 1 7 2995 1 1 5 LYS H H 5.047 -5.724 1.663 1.00 . A A . 4 LYS H 1 1 7 2996 1 1 5 LYS HA H 3.873 -3.752 -0.041 1.00 . A A . 4 LYS HA 1 1 7 2997 1 1 5 LYS HB2 H 3.604 -5.477 -1.660 1.00 . A A . 4 LYS HB2 1 1 7 2998 1 1 5 LYS HB3 H 5.126 -5.810 -0.844 1.00 . A A . 4 LYS HB3 1 1 7 2999 1 1 5 LYS HD2 H 3.416 -7.728 -2.460 1.00 . A A . 4 LYS HD2 1 1 7 3000 1 1 5 LYS HD3 H 4.917 -8.233 -1.683 1.00 . A A . 4 LYS HD3 1 1 7 3001 1 1 5 LYS HE2 H 3.740 -9.943 -0.442 1.00 . A A . 4 LYS HE2 1 1 7 3002 1 1 5 LYS HE3 H 2.198 -9.399 -1.099 1.00 . A A . 4 LYS HE3 1 1 7 3003 1 1 5 LYS HG2 H 4.091 -7.537 0.472 1.00 . A A . 4 LYS HG2 1 1 7 3004 1 1 5 LYS HG3 H 2.510 -7.156 -0.219 1.00 . A A . 4 LYS HG3 1 1 7 3005 1 1 5 LYS HZ1 H 2.921 -11.308 -2.307 1.00 . A A . 4 LYS HZ1 1 1 7 3006 1 1 5 LYS HZ2 H 4.439 -10.628 -2.605 1.00 . A A . 4 LYS HZ2 1 1 7 3007 1 1 5 LYS HZ3 H 3.062 -9.969 -3.327 1.00 . A A . 4 LYS HZ3 1 1 7 3008 1 1 5 LYS N N 4.541 -4.892 1.530 1.00 . A A . 4 LYS N 1 1 7 3009 1 1 5 LYS NZ N 3.431 -10.416 -2.465 1.00 . A A . 4 LYS NZ 1 1 7 3010 1 1 5 LYS O O 1.852 -5.702 1.556 1.00 . A A . 4 LYS O 1 1 7 3011 1 1 6 PRO C C -0.761 -5.032 -0.419 1.00 . A A . 5 PRO C 1 1 7 3012 1 1 6 PRO CA C -0.047 -4.002 0.452 1.00 . A A . 5 PRO CA 1 1 7 3013 1 1 6 PRO CB C -0.478 -2.583 0.094 1.00 . A A . 5 PRO CB 1 1 7 3014 1 1 6 PRO CD C 1.774 -2.882 -0.712 1.00 . A A . 5 PRO CD 1 1 7 3015 1 1 6 PRO CG C 0.498 -2.113 -0.929 1.00 . A A . 5 PRO CG 1 1 7 3016 1 1 6 PRO HA H -0.264 -4.199 1.491 1.00 . A A . 5 PRO HA 1 1 7 3017 1 1 6 PRO HB2 H -1.479 -2.594 -0.307 1.00 . A A . 5 PRO HB2 1 1 7 3018 1 1 6 PRO HB3 H -0.431 -1.950 0.965 1.00 . A A . 5 PRO HB3 1 1 7 3019 1 1 6 PRO HD2 H 2.137 -3.274 -1.651 1.00 . A A . 5 PRO HD2 1 1 7 3020 1 1 6 PRO HD3 H 2.521 -2.252 -0.253 1.00 . A A . 5 PRO HD3 1 1 7 3021 1 1 6 PRO HG2 H 0.107 -2.308 -1.920 1.00 . A A . 5 PRO HG2 1 1 7 3022 1 1 6 PRO HG3 H 0.680 -1.059 -0.800 1.00 . A A . 5 PRO HG3 1 1 7 3023 1 1 6 PRO N N 1.387 -3.978 0.196 1.00 . A A . 5 PRO N 1 1 7 3024 1 1 6 PRO O O -0.288 -5.375 -1.502 1.00 . A A . 5 PRO O 1 1 7 3025 1 1 7 THR C C -3.910 -5.968 -1.254 1.00 . A A . 6 THR C 1 1 7 3026 1 1 7 THR CA C -2.626 -6.552 -0.674 1.00 . A A . 6 THR CA 1 1 7 3027 1 1 7 THR CB C -2.950 -7.775 0.216 1.00 . A A . 6 THR CB 1 1 7 3028 1 1 7 THR CG2 C -4.014 -7.444 1.251 1.00 . A A . 6 THR CG2 1 1 7 3029 1 1 7 THR H H -2.231 -5.217 0.920 1.00 . A A . 6 THR H 1 1 7 3030 1 1 7 THR HA H -2.004 -6.886 -1.491 1.00 . A A . 6 THR HA 1 1 7 3031 1 1 7 THR HB H -2.049 -8.068 0.731 1.00 . A A . 6 THR HB 1 1 7 3032 1 1 7 THR HG1 H -4.256 -9.178 -0.269 1.00 . A A . 6 THR HG1 1 1 7 3033 1 1 7 THR HG21 H -4.930 -7.171 0.750 1.00 . A A . 6 THR HG21 1 1 7 3034 1 1 7 THR HG22 H -3.678 -6.619 1.860 1.00 . A A . 6 THR HG22 1 1 7 3035 1 1 7 THR HG23 H -4.189 -8.305 1.878 1.00 . A A . 6 THR HG23 1 1 7 3036 1 1 7 THR N N -1.887 -5.538 0.059 1.00 . A A . 6 THR N 1 1 7 3037 1 1 7 THR O O -4.521 -5.077 -0.658 1.00 . A A . 6 THR O 1 1 7 3038 1 1 7 THR OG1 O -3.400 -8.870 -0.593 1.00 . A A . 6 THR OG1 1 1 7 3039 1 1 8 LYS C C -6.745 -6.159 -2.281 1.00 . A A . 7 LYS C 1 1 7 3040 1 1 8 LYS CA C -5.486 -5.977 -3.119 1.00 . A A . 7 LYS CA 1 1 7 3041 1 1 8 LYS CB C -5.649 -6.697 -4.460 1.00 . A A . 7 LYS CB 1 1 7 3042 1 1 8 LYS CD C -4.747 -4.825 -5.872 1.00 . A A . 7 LYS CD 1 1 7 3043 1 1 8 LYS CE C -3.784 -4.440 -6.981 1.00 . A A . 7 LYS CE 1 1 7 3044 1 1 8 LYS CG C -4.617 -6.295 -5.502 1.00 . A A . 7 LYS CG 1 1 7 3045 1 1 8 LYS H H -3.772 -7.186 -2.828 1.00 . A A . 7 LYS H 1 1 7 3046 1 1 8 LYS HA H -5.350 -4.925 -3.307 1.00 . A A . 7 LYS HA 1 1 7 3047 1 1 8 LYS HB2 H -5.567 -7.761 -4.295 1.00 . A A . 7 LYS HB2 1 1 7 3048 1 1 8 LYS HB3 H -6.631 -6.478 -4.854 1.00 . A A . 7 LYS HB3 1 1 7 3049 1 1 8 LYS HD2 H -5.757 -4.633 -6.204 1.00 . A A . 7 LYS HD2 1 1 7 3050 1 1 8 LYS HD3 H -4.532 -4.226 -5.002 1.00 . A A . 7 LYS HD3 1 1 7 3051 1 1 8 LYS HE2 H -2.774 -4.598 -6.634 1.00 . A A . 7 LYS HE2 1 1 7 3052 1 1 8 LYS HE3 H -3.970 -5.070 -7.838 1.00 . A A . 7 LYS HE3 1 1 7 3053 1 1 8 LYS HG2 H -3.629 -6.470 -5.103 1.00 . A A . 7 LYS HG2 1 1 7 3054 1 1 8 LYS HG3 H -4.762 -6.897 -6.389 1.00 . A A . 7 LYS HG3 1 1 7 3055 1 1 8 LYS HZ1 H -3.740 -2.394 -6.576 1.00 . A A . 7 LYS HZ1 1 1 7 3056 1 1 8 LYS HZ2 H -4.914 -2.841 -7.706 1.00 . A A . 7 LYS HZ2 1 1 7 3057 1 1 8 LYS HZ3 H -3.283 -2.790 -8.154 1.00 . A A . 7 LYS HZ3 1 1 7 3058 1 1 8 LYS N N -4.299 -6.463 -2.423 1.00 . A A . 7 LYS N 1 1 7 3059 1 1 8 LYS NZ N -3.941 -3.018 -7.382 1.00 . A A . 7 LYS NZ 1 1 7 3060 1 1 8 LYS O O -7.105 -7.282 -1.926 1.00 . A A . 7 LYS O 1 1 7 3061 1 1 9 PRO C C -9.803 -5.673 -2.102 1.00 . A A . 8 PRO C 1 1 7 3062 1 1 9 PRO CA C -8.696 -5.094 -1.229 1.00 . A A . 8 PRO CA 1 1 7 3063 1 1 9 PRO CB C -8.989 -3.620 -0.899 1.00 . A A . 8 PRO CB 1 1 7 3064 1 1 9 PRO CD C -6.975 -3.667 -2.176 1.00 . A A . 8 PRO CD 1 1 7 3065 1 1 9 PRO CG C -7.705 -2.897 -1.114 1.00 . A A . 8 PRO CG 1 1 7 3066 1 1 9 PRO HA H -8.627 -5.666 -0.316 1.00 . A A . 8 PRO HA 1 1 7 3067 1 1 9 PRO HB2 H -9.756 -3.240 -1.563 1.00 . A A . 8 PRO HB2 1 1 7 3068 1 1 9 PRO HB3 H -9.304 -3.526 0.129 1.00 . A A . 8 PRO HB3 1 1 7 3069 1 1 9 PRO HD2 H -7.271 -3.331 -3.163 1.00 . A A . 8 PRO HD2 1 1 7 3070 1 1 9 PRO HD3 H -5.905 -3.572 -2.044 1.00 . A A . 8 PRO HD3 1 1 7 3071 1 1 9 PRO HG2 H -7.905 -1.887 -1.444 1.00 . A A . 8 PRO HG2 1 1 7 3072 1 1 9 PRO HG3 H -7.126 -2.886 -0.201 1.00 . A A . 8 PRO HG3 1 1 7 3073 1 1 9 PRO N N -7.417 -5.050 -1.934 1.00 . A A . 8 PRO N 1 1 7 3074 1 1 9 PRO O O -9.946 -5.300 -3.272 1.00 . A A . 8 PRO O 1 1 7 3075 1 1 10 GLY C C -12.996 -6.587 -1.865 1.00 . A A . 9 GLY C 1 1 7 3076 1 1 10 GLY CA C -11.669 -7.186 -2.271 1.00 . A A . 9 GLY CA 1 1 7 3077 1 1 10 GLY H H -10.390 -6.872 -0.614 1.00 . A A . 9 GLY H 1 1 7 3078 1 1 10 GLY HA2 H -11.518 -7.020 -3.325 1.00 . A A . 9 GLY HA2 1 1 7 3079 1 1 10 GLY HA3 H -11.691 -8.248 -2.080 1.00 . A A . 9 GLY HA3 1 1 7 3080 1 1 10 GLY N N -10.568 -6.597 -1.541 1.00 . A A . 9 GLY N 1 1 7 3081 1 1 10 GLY O O -13.601 -5.826 -2.618 1.00 . A A . 9 GLY O 1 1 7 3082 1 1 11 ASP C C -14.406 -5.105 0.628 1.00 . A A . 10 ASP C 1 1 7 3083 1 1 11 ASP CA C -14.685 -6.390 -0.131 1.00 . A A . 10 ASP CA 1 1 7 3084 1 1 11 ASP CB C -15.348 -7.403 0.802 1.00 . A A . 10 ASP CB 1 1 7 3085 1 1 11 ASP CG C -15.468 -8.781 0.185 1.00 . A A . 10 ASP CG 1 1 7 3086 1 1 11 ASP H H -12.909 -7.539 -0.116 1.00 . A A . 10 ASP H 1 1 7 3087 1 1 11 ASP HA H -15.346 -6.178 -0.960 1.00 . A A . 10 ASP HA 1 1 7 3088 1 1 11 ASP HB2 H -14.762 -7.485 1.704 1.00 . A A . 10 ASP HB2 1 1 7 3089 1 1 11 ASP HB3 H -16.338 -7.053 1.053 1.00 . A A . 10 ASP HB3 1 1 7 3090 1 1 11 ASP N N -13.436 -6.917 -0.662 1.00 . A A . 10 ASP N 1 1 7 3091 1 1 11 ASP O O -15.248 -4.214 0.712 1.00 . A A . 10 ASP O 1 1 7 3092 1 1 11 ASP OD1 O -16.168 -8.926 -0.838 1.00 . A A . 10 ASP OD1 1 1 7 3093 1 1 11 ASP OD2 O -14.863 -9.730 0.728 1.00 . A A . 10 ASP OD2 1 1 7 3094 1 1 12 ASN C C -12.286 -2.746 0.939 1.00 . A A . 11 ASN C 1 1 7 3095 1 1 12 ASN CA C -12.744 -3.841 1.897 1.00 . A A . 11 ASN CA 1 1 7 3096 1 1 12 ASN CB C -11.609 -4.202 2.868 1.00 . A A . 11 ASN CB 1 1 7 3097 1 1 12 ASN CG C -10.402 -4.824 2.179 1.00 . A A . 11 ASN CG 1 1 7 3098 1 1 12 ASN H H -12.574 -5.771 1.051 1.00 . A A . 11 ASN H 1 1 7 3099 1 1 12 ASN HA H -13.584 -3.471 2.463 1.00 . A A . 11 ASN HA 1 1 7 3100 1 1 12 ASN HB2 H -11.284 -3.307 3.374 1.00 . A A . 11 ASN HB2 1 1 7 3101 1 1 12 ASN HB3 H -11.983 -4.904 3.600 1.00 . A A . 11 ASN HB3 1 1 7 3102 1 1 12 ASN HD21 H -9.175 -3.962 3.480 1.00 . A A . 11 ASN HD21 1 1 7 3103 1 1 12 ASN HD22 H -8.423 -4.939 2.275 1.00 . A A . 11 ASN HD22 1 1 7 3104 1 1 12 ASN N N -13.195 -5.016 1.159 1.00 . A A . 11 ASN N 1 1 7 3105 1 1 12 ASN ND2 N -9.214 -4.547 2.694 1.00 . A A . 11 ASN ND2 1 1 7 3106 1 1 12 ASN O O -11.714 -1.738 1.352 1.00 . A A . 11 ASN O 1 1 7 3107 1 1 12 ASN OD1 O -10.532 -5.544 1.188 1.00 . A A . 11 ASN OD1 1 1 7 3108 1 1 13 ALA C C -13.145 -0.822 -1.445 1.00 . A A . 12 ALA C 1 1 7 3109 1 1 13 ALA CA C -12.175 -2.001 -1.384 1.00 . A A . 12 ALA CA 1 1 7 3110 1 1 13 ALA CB C -12.109 -2.700 -2.731 1.00 . A A . 12 ALA CB 1 1 7 3111 1 1 13 ALA H H -13.020 -3.770 -0.605 1.00 . A A . 12 ALA H 1 1 7 3112 1 1 13 ALA HA H -11.192 -1.630 -1.150 1.00 . A A . 12 ALA HA 1 1 7 3113 1 1 13 ALA HB1 H -13.099 -3.017 -3.020 1.00 . A A . 12 ALA HB1 1 1 7 3114 1 1 13 ALA HB2 H -11.464 -3.563 -2.658 1.00 . A A . 12 ALA HB2 1 1 7 3115 1 1 13 ALA HB3 H -11.719 -2.017 -3.472 1.00 . A A . 12 ALA HB3 1 1 7 3116 1 1 13 ALA N N -12.550 -2.951 -0.347 1.00 . A A . 12 ALA N 1 1 7 3117 1 1 13 ALA O O -13.297 -0.181 -2.488 1.00 . A A . 12 ALA O 1 1 7 3118 1 1 14 THR C C -13.956 1.882 -0.392 1.00 . A A . 13 THR C 1 1 7 3119 1 1 14 THR CA C -14.716 0.571 -0.223 1.00 . A A . 13 THR CA 1 1 7 3120 1 1 14 THR CB C -15.455 0.562 1.129 1.00 . A A . 13 THR CB 1 1 7 3121 1 1 14 THR CG2 C -16.502 -0.541 1.164 1.00 . A A . 13 THR CG2 1 1 7 3122 1 1 14 THR H H -13.648 -1.111 0.460 1.00 . A A . 13 THR H 1 1 7 3123 1 1 14 THR HA H -15.448 0.485 -1.011 1.00 . A A . 13 THR HA 1 1 7 3124 1 1 14 THR HB H -15.954 1.512 1.252 1.00 . A A . 13 THR HB 1 1 7 3125 1 1 14 THR HG1 H -14.849 -0.308 2.802 1.00 . A A . 13 THR HG1 1 1 7 3126 1 1 14 THR HG21 H -16.019 -1.502 1.068 1.00 . A A . 13 THR HG21 1 1 7 3127 1 1 14 THR HG22 H -17.193 -0.405 0.346 1.00 . A A . 13 THR HG22 1 1 7 3128 1 1 14 THR HG23 H -17.040 -0.499 2.099 1.00 . A A . 13 THR HG23 1 1 7 3129 1 1 14 THR N N -13.802 -0.551 -0.327 1.00 . A A . 13 THR N 1 1 7 3130 1 1 14 THR O O -12.903 2.064 0.215 1.00 . A A . 13 THR O 1 1 7 3131 1 1 14 THR OG1 O -14.520 0.378 2.204 1.00 . A A . 13 THR OG1 1 1 7 3132 1 1 15 PRO C C -13.174 4.766 -0.379 1.00 . A A . 14 PRO C 1 1 7 3133 1 1 15 PRO CA C -13.809 4.065 -1.578 1.00 . A A . 14 PRO CA 1 1 7 3134 1 1 15 PRO CB C -14.951 4.911 -2.135 1.00 . A A . 14 PRO CB 1 1 7 3135 1 1 15 PRO CD C -15.773 2.660 -1.928 1.00 . A A . 14 PRO CD 1 1 7 3136 1 1 15 PRO CG C -15.905 3.936 -2.727 1.00 . A A . 14 PRO CG 1 1 7 3137 1 1 15 PRO HA H -13.062 3.919 -2.343 1.00 . A A . 14 PRO HA 1 1 7 3138 1 1 15 PRO HB2 H -15.417 5.471 -1.333 1.00 . A A . 14 PRO HB2 1 1 7 3139 1 1 15 PRO HB3 H -14.585 5.581 -2.896 1.00 . A A . 14 PRO HB3 1 1 7 3140 1 1 15 PRO HD2 H -16.581 2.571 -1.217 1.00 . A A . 14 PRO HD2 1 1 7 3141 1 1 15 PRO HD3 H -15.761 1.803 -2.585 1.00 . A A . 14 PRO HD3 1 1 7 3142 1 1 15 PRO HG2 H -16.911 4.327 -2.652 1.00 . A A . 14 PRO HG2 1 1 7 3143 1 1 15 PRO HG3 H -15.647 3.752 -3.761 1.00 . A A . 14 PRO HG3 1 1 7 3144 1 1 15 PRO N N -14.477 2.799 -1.233 1.00 . A A . 14 PRO N 1 1 7 3145 1 1 15 PRO O O -12.075 5.313 -0.476 1.00 . A A . 14 PRO O 1 1 7 3146 1 1 16 GLU C C -12.063 4.848 2.436 1.00 . A A . 15 GLU C 1 1 7 3147 1 1 16 GLU CA C -13.414 5.386 1.965 1.00 . A A . 15 GLU CA 1 1 7 3148 1 1 16 GLU CB C -14.465 5.218 3.059 1.00 . A A . 15 GLU CB 1 1 7 3149 1 1 16 GLU CD C -16.895 5.471 3.666 1.00 . A A . 15 GLU CD 1 1 7 3150 1 1 16 GLU CG C -15.785 5.887 2.729 1.00 . A A . 15 GLU CG 1 1 7 3151 1 1 16 GLU H H -14.702 4.206 0.774 1.00 . A A . 15 GLU H 1 1 7 3152 1 1 16 GLU HA H -13.308 6.434 1.740 1.00 . A A . 15 GLU HA 1 1 7 3153 1 1 16 GLU HB2 H -14.650 4.167 3.207 1.00 . A A . 15 GLU HB2 1 1 7 3154 1 1 16 GLU HB3 H -14.088 5.645 3.976 1.00 . A A . 15 GLU HB3 1 1 7 3155 1 1 16 GLU HG2 H -15.660 6.957 2.796 1.00 . A A . 15 GLU HG2 1 1 7 3156 1 1 16 GLU HG3 H -16.064 5.621 1.723 1.00 . A A . 15 GLU HG3 1 1 7 3157 1 1 16 GLU N N -13.864 4.717 0.752 1.00 . A A . 15 GLU N 1 1 7 3158 1 1 16 GLU O O -11.135 5.614 2.687 1.00 . A A . 15 GLU O 1 1 7 3159 1 1 16 GLU OE1 O -17.746 4.654 3.260 1.00 . A A . 15 GLU OE1 1 1 7 3160 1 1 16 GLU OE2 O -16.922 5.956 4.815 1.00 . A A . 15 GLU OE2 1 1 7 3161 1 1 17 LYS C C -9.772 2.617 1.857 1.00 . A A . 16 LYS C 1 1 7 3162 1 1 17 LYS CA C -10.716 2.918 3.019 1.00 . A A . 16 LYS CA 1 1 7 3163 1 1 17 LYS CB C -11.018 1.637 3.802 1.00 . A A . 16 LYS CB 1 1 7 3164 1 1 17 LYS CD C -10.150 -0.150 5.345 1.00 . A A . 16 LYS CD 1 1 7 3165 1 1 17 LYS CE C -9.011 -0.546 6.272 1.00 . A A . 16 LYS CE 1 1 7 3166 1 1 17 LYS CG C -9.821 1.117 4.578 1.00 . A A . 16 LYS CG 1 1 7 3167 1 1 17 LYS H H -12.694 2.960 2.270 1.00 . A A . 16 LYS H 1 1 7 3168 1 1 17 LYS HA H -10.236 3.626 3.678 1.00 . A A . 16 LYS HA 1 1 7 3169 1 1 17 LYS HB2 H -11.818 1.836 4.503 1.00 . A A . 16 LYS HB2 1 1 7 3170 1 1 17 LYS HB3 H -11.335 0.868 3.108 1.00 . A A . 16 LYS HB3 1 1 7 3171 1 1 17 LYS HD2 H -11.039 0.018 5.933 1.00 . A A . 16 LYS HD2 1 1 7 3172 1 1 17 LYS HD3 H -10.326 -0.951 4.641 1.00 . A A . 16 LYS HD3 1 1 7 3173 1 1 17 LYS HE2 H -8.862 0.243 6.993 1.00 . A A . 16 LYS HE2 1 1 7 3174 1 1 17 LYS HE3 H -9.284 -1.454 6.786 1.00 . A A . 16 LYS HE3 1 1 7 3175 1 1 17 LYS HG2 H -9.019 0.909 3.887 1.00 . A A . 16 LYS HG2 1 1 7 3176 1 1 17 LYS HG3 H -9.503 1.878 5.278 1.00 . A A . 16 LYS HG3 1 1 7 3177 1 1 17 LYS HZ1 H -7.841 -1.570 4.876 1.00 . A A . 16 LYS HZ1 1 1 7 3178 1 1 17 LYS HZ2 H -6.972 -0.982 6.204 1.00 . A A . 16 LYS HZ2 1 1 7 3179 1 1 17 LYS HZ3 H -7.484 0.079 4.994 1.00 . A A . 16 LYS HZ3 1 1 7 3180 1 1 17 LYS N N -11.946 3.530 2.537 1.00 . A A . 16 LYS N 1 1 7 3181 1 1 17 LYS NZ N -7.741 -0.771 5.535 1.00 . A A . 16 LYS NZ 1 1 7 3182 1 1 17 LYS O O -8.576 2.401 2.047 1.00 . A A . 16 LYS O 1 1 7 3183 1 1 18 LEU C C -8.573 3.559 -0.758 1.00 . A A . 17 LEU C 1 1 7 3184 1 1 18 LEU CA C -9.518 2.383 -0.547 1.00 . A A . 17 LEU CA 1 1 7 3185 1 1 18 LEU CB C -10.426 2.201 -1.762 1.00 . A A . 17 LEU CB 1 1 7 3186 1 1 18 LEU CD1 C -8.965 0.510 -2.889 1.00 . A A . 17 LEU CD1 1 1 7 3187 1 1 18 LEU CD2 C -10.753 1.670 -4.167 1.00 . A A . 17 LEU CD2 1 1 7 3188 1 1 18 LEU CG C -9.729 1.809 -3.062 1.00 . A A . 17 LEU CG 1 1 7 3189 1 1 18 LEU H H -11.286 2.743 0.558 1.00 . A A . 17 LEU H 1 1 7 3190 1 1 18 LEU HA H -8.938 1.486 -0.399 1.00 . A A . 17 LEU HA 1 1 7 3191 1 1 18 LEU HB2 H -11.153 1.435 -1.530 1.00 . A A . 17 LEU HB2 1 1 7 3192 1 1 18 LEU HB3 H -10.947 3.130 -1.929 1.00 . A A . 17 LEU HB3 1 1 7 3193 1 1 18 LEU HD11 H -8.222 0.631 -2.118 1.00 . A A . 17 LEU HD11 1 1 7 3194 1 1 18 LEU HD12 H -8.483 0.251 -3.819 1.00 . A A . 17 LEU HD12 1 1 7 3195 1 1 18 LEU HD13 H -9.651 -0.273 -2.608 1.00 . A A . 17 LEU HD13 1 1 7 3196 1 1 18 LEU HD21 H -10.261 1.377 -5.081 1.00 . A A . 17 LEU HD21 1 1 7 3197 1 1 18 LEU HD22 H -11.255 2.615 -4.313 1.00 . A A . 17 LEU HD22 1 1 7 3198 1 1 18 LEU HD23 H -11.475 0.917 -3.890 1.00 . A A . 17 LEU HD23 1 1 7 3199 1 1 18 LEU HG H -9.028 2.581 -3.342 1.00 . A A . 17 LEU HG 1 1 7 3200 1 1 18 LEU N N -10.316 2.605 0.649 1.00 . A A . 17 LEU N 1 1 7 3201 1 1 18 LEU O O -7.482 3.409 -1.309 1.00 . A A . 17 LEU O 1 1 7 3202 1 1 19 ALA C C -6.944 5.727 0.538 1.00 . A A . 18 ALA C 1 1 7 3203 1 1 19 ALA CA C -8.180 5.919 -0.334 1.00 . A A . 18 ALA CA 1 1 7 3204 1 1 19 ALA CB C -8.986 7.119 0.129 1.00 . A A . 18 ALA CB 1 1 7 3205 1 1 19 ALA H H -9.913 4.787 0.062 1.00 . A A . 18 ALA H 1 1 7 3206 1 1 19 ALA HA H -7.873 6.087 -1.354 1.00 . A A . 18 ALA HA 1 1 7 3207 1 1 19 ALA HB1 H -9.842 7.245 -0.516 1.00 . A A . 18 ALA HB1 1 1 7 3208 1 1 19 ALA HB2 H -8.370 8.003 0.090 1.00 . A A . 18 ALA HB2 1 1 7 3209 1 1 19 ALA HB3 H -9.322 6.954 1.142 1.00 . A A . 18 ALA HB3 1 1 7 3210 1 1 19 ALA N N -9.006 4.726 -0.301 1.00 . A A . 18 ALA N 1 1 7 3211 1 1 19 ALA O O -5.830 6.075 0.142 1.00 . A A . 18 ALA O 1 1 7 3212 1 1 20 LYS C C -5.117 3.818 1.940 1.00 . A A . 19 LYS C 1 1 7 3213 1 1 20 LYS CA C -6.048 4.819 2.613 1.00 . A A . 19 LYS CA 1 1 7 3214 1 1 20 LYS CB C -6.575 4.245 3.935 1.00 . A A . 19 LYS CB 1 1 7 3215 1 1 20 LYS CD C -4.536 4.846 5.314 1.00 . A A . 19 LYS CD 1 1 7 3216 1 1 20 LYS CE C -5.234 5.856 6.210 1.00 . A A . 19 LYS CE 1 1 7 3217 1 1 20 LYS CG C -5.481 3.736 4.867 1.00 . A A . 19 LYS CG 1 1 7 3218 1 1 20 LYS H H -8.067 4.962 2.003 1.00 . A A . 19 LYS H 1 1 7 3219 1 1 20 LYS HA H -5.498 5.725 2.815 1.00 . A A . 19 LYS HA 1 1 7 3220 1 1 20 LYS HB2 H -7.126 5.016 4.450 1.00 . A A . 19 LYS HB2 1 1 7 3221 1 1 20 LYS HB3 H -7.241 3.424 3.718 1.00 . A A . 19 LYS HB3 1 1 7 3222 1 1 20 LYS HD2 H -3.715 4.406 5.860 1.00 . A A . 19 LYS HD2 1 1 7 3223 1 1 20 LYS HD3 H -4.156 5.354 4.439 1.00 . A A . 19 LYS HD3 1 1 7 3224 1 1 20 LYS HE2 H -6.047 6.307 5.661 1.00 . A A . 19 LYS HE2 1 1 7 3225 1 1 20 LYS HE3 H -5.625 5.340 7.074 1.00 . A A . 19 LYS HE3 1 1 7 3226 1 1 20 LYS HG2 H -5.942 3.300 5.740 1.00 . A A . 19 LYS HG2 1 1 7 3227 1 1 20 LYS HG3 H -4.910 2.979 4.346 1.00 . A A . 19 LYS HG3 1 1 7 3228 1 1 20 LYS HZ1 H -4.790 7.555 7.337 1.00 . A A . 19 LYS HZ1 1 1 7 3229 1 1 20 LYS HZ2 H -3.983 7.487 5.853 1.00 . A A . 19 LYS HZ2 1 1 7 3230 1 1 20 LYS HZ3 H -3.478 6.508 7.133 1.00 . A A . 19 LYS HZ3 1 1 7 3231 1 1 20 LYS N N -7.150 5.155 1.722 1.00 . A A . 19 LYS N 1 1 7 3232 1 1 20 LYS NZ N -4.308 6.925 6.664 1.00 . A A . 19 LYS NZ 1 1 7 3233 1 1 20 LYS O O -3.897 3.912 2.061 1.00 . A A . 19 LYS O 1 1 7 3234 1 1 21 4PH C33 C -2.994 -3.048 -3.095 1.00 . A A . 20 4PH C33 1 1 7 3235 1 1 21 4PH H33 H -2.633 -2.603 -4.008 1.00 . A A . 20 4PH H33 1 1 7 3236 1 1 21 4PH H33A H -2.158 -3.381 -2.499 1.00 . A A . 20 4PH H33A 1 1 7 3237 1 1 21 4PH H33B H -3.626 -3.888 -3.337 1.00 . A A . 20 4PH H33B 1 1 7 3238 1 1 22 GLN C C -2.716 5.049 -1.607 1.00 . A A . 21 GLN C 1 1 7 3239 1 1 22 GLN CA C -3.864 4.300 -2.277 1.00 . A A . 21 GLN CA 1 1 7 3240 1 1 22 GLN CB C -4.777 5.287 -3.008 1.00 . A A . 21 GLN CB 1 1 7 3241 1 1 22 GLN CD C -5.208 3.862 -5.044 1.00 . A A . 21 GLN CD 1 1 7 3242 1 1 22 GLN CG C -5.823 4.611 -3.878 1.00 . A A . 21 GLN CG 1 1 7 3243 1 1 22 GLN H H -5.579 3.717 -1.171 1.00 . A A . 21 GLN H 1 1 7 3244 1 1 22 GLN HA H -3.452 3.606 -2.995 1.00 . A A . 21 GLN HA 1 1 7 3245 1 1 22 GLN HB2 H -5.287 5.899 -2.279 1.00 . A A . 21 GLN HB2 1 1 7 3246 1 1 22 GLN HB3 H -4.172 5.922 -3.639 1.00 . A A . 21 GLN HB3 1 1 7 3247 1 1 22 GLN HE21 H -4.985 2.234 -3.934 1.00 . A A . 21 GLN HE21 1 1 7 3248 1 1 22 GLN HE22 H -4.444 2.108 -5.566 1.00 . A A . 21 GLN HE22 1 1 7 3249 1 1 22 GLN HG2 H -6.378 3.912 -3.271 1.00 . A A . 21 GLN HG2 1 1 7 3250 1 1 22 GLN HG3 H -6.494 5.365 -4.265 1.00 . A A . 21 GLN HG3 1 1 7 3251 1 1 22 GLN N N -4.621 3.529 -1.293 1.00 . A A . 21 GLN N 1 1 7 3252 1 1 22 GLN NE2 N -4.843 2.609 -4.825 1.00 . A A . 21 GLN NE2 1 1 7 3253 1 1 22 GLN O O -1.625 5.168 -2.169 1.00 . A A . 21 GLN O 1 1 7 3254 1 1 22 GLN OE1 O -5.046 4.411 -6.133 1.00 . A A . 21 GLN OE1 1 1 7 3255 1 1 23 ALA C C -0.848 5.238 0.785 1.00 . A A . 22 ALA C 1 1 7 3256 1 1 23 ALA CA C -1.945 6.213 0.381 1.00 . A A . 22 ALA CA 1 1 7 3257 1 1 23 ALA CB C -2.564 6.858 1.610 1.00 . A A . 22 ALA CB 1 1 7 3258 1 1 23 ALA H H -3.863 5.428 -0.016 1.00 . A A . 22 ALA H 1 1 7 3259 1 1 23 ALA HA H -1.518 6.992 -0.232 1.00 . A A . 22 ALA HA 1 1 7 3260 1 1 23 ALA HB1 H -2.989 6.090 2.239 1.00 . A A . 22 ALA HB1 1 1 7 3261 1 1 23 ALA HB2 H -3.340 7.543 1.304 1.00 . A A . 22 ALA HB2 1 1 7 3262 1 1 23 ALA HB3 H -1.802 7.392 2.157 1.00 . A A . 22 ALA HB3 1 1 7 3263 1 1 23 ALA N N -2.966 5.533 -0.397 1.00 . A A . 22 ALA N 1 1 7 3264 1 1 23 ALA O O 0.337 5.564 0.737 1.00 . A A . 22 ALA O 1 1 7 3265 1 1 24 ASP C C 0.594 2.620 0.389 1.00 . A A . 23 ASP C 1 1 7 3266 1 1 24 ASP CA C -0.310 2.989 1.559 1.00 . A A . 23 ASP CA 1 1 7 3267 1 1 24 ASP CB C -1.037 1.740 2.063 1.00 . A A . 23 ASP CB 1 1 7 3268 1 1 24 ASP CG C -0.120 0.816 2.842 1.00 . A A . 23 ASP CG 1 1 7 3269 1 1 24 ASP H H -2.220 3.845 1.202 1.00 . A A . 23 ASP H 1 1 7 3270 1 1 24 ASP HA H 0.302 3.383 2.357 1.00 . A A . 23 ASP HA 1 1 7 3271 1 1 24 ASP HB2 H -1.857 2.033 2.703 1.00 . A A . 23 ASP HB2 1 1 7 3272 1 1 24 ASP HB3 H -1.424 1.195 1.215 1.00 . A A . 23 ASP HB3 1 1 7 3273 1 1 24 ASP N N -1.255 4.032 1.167 1.00 . A A . 23 ASP N 1 1 7 3274 1 1 24 ASP O O 1.775 2.337 0.577 1.00 . A A . 23 ASP O 1 1 7 3275 1 1 24 ASP OD1 O 0.199 1.130 4.008 1.00 . A A . 23 ASP OD1 1 1 7 3276 1 1 24 ASP OD2 O 0.281 -0.236 2.300 1.00 . A A . 23 ASP OD2 1 1 7 3277 1 1 25 LEU C C 1.867 3.506 -2.208 1.00 . A A . 24 LEU C 1 1 7 3278 1 1 25 LEU CA C 0.829 2.413 -2.034 1.00 . A A . 24 LEU CA 1 1 7 3279 1 1 25 LEU CB C -0.051 2.335 -3.291 1.00 . A A . 24 LEU CB 1 1 7 3280 1 1 25 LEU CD1 C 0.556 0.030 -4.075 1.00 . A A . 24 LEU CD1 1 1 7 3281 1 1 25 LEU CD2 C -1.345 0.338 -2.486 1.00 . A A . 24 LEU CD2 1 1 7 3282 1 1 25 LEU CG C -0.585 0.945 -3.648 1.00 . A A . 24 LEU CG 1 1 7 3283 1 1 25 LEU H H -0.933 2.774 -0.899 1.00 . A A . 24 LEU H 1 1 7 3284 1 1 25 LEU HA H 1.343 1.473 -1.914 1.00 . A A . 24 LEU HA 1 1 7 3285 1 1 25 LEU HB2 H -0.899 2.993 -3.151 1.00 . A A . 24 LEU HB2 1 1 7 3286 1 1 25 LEU HB3 H 0.527 2.697 -4.127 1.00 . A A . 24 LEU HB3 1 1 7 3287 1 1 25 LEU HD11 H 1.280 -0.045 -3.277 1.00 . A A . 24 LEU HD11 1 1 7 3288 1 1 25 LEU HD12 H 1.034 0.438 -4.955 1.00 . A A . 24 LEU HD12 1 1 7 3289 1 1 25 LEU HD13 H 0.166 -0.951 -4.301 1.00 . A A . 24 LEU HD13 1 1 7 3290 1 1 25 LEU HD21 H -2.182 0.972 -2.231 1.00 . A A . 24 LEU HD21 1 1 7 3291 1 1 25 LEU HD22 H -0.687 0.252 -1.633 1.00 . A A . 24 LEU HD22 1 1 7 3292 1 1 25 LEU HD23 H -1.707 -0.641 -2.762 1.00 . A A . 24 LEU HD23 1 1 7 3293 1 1 25 LEU HG H -1.266 1.036 -4.482 1.00 . A A . 24 LEU HG 1 1 7 3294 1 1 25 LEU N N 0.036 2.628 -0.822 1.00 . A A . 24 LEU N 1 1 7 3295 1 1 25 LEU O O 3.010 3.230 -2.558 1.00 . A A . 24 LEU O 1 1 7 3296 1 1 26 ALA C C 3.496 5.739 -1.024 1.00 . A A . 25 ALA C 1 1 7 3297 1 1 26 ALA CA C 2.382 5.871 -2.054 1.00 . A A . 25 ALA CA 1 1 7 3298 1 1 26 ALA CB C 1.631 7.179 -1.869 1.00 . A A . 25 ALA CB 1 1 7 3299 1 1 26 ALA H H 0.535 4.903 -1.689 1.00 . A A . 25 ALA H 1 1 7 3300 1 1 26 ALA HA H 2.817 5.863 -3.044 1.00 . A A . 25 ALA HA 1 1 7 3301 1 1 26 ALA HB1 H 1.177 7.197 -0.889 1.00 . A A . 25 ALA HB1 1 1 7 3302 1 1 26 ALA HB2 H 0.862 7.261 -2.624 1.00 . A A . 25 ALA HB2 1 1 7 3303 1 1 26 ALA HB3 H 2.319 8.006 -1.963 1.00 . A A . 25 ALA HB3 1 1 7 3304 1 1 26 ALA N N 1.467 4.744 -1.954 1.00 . A A . 25 ALA N 1 1 7 3305 1 1 26 ALA O O 4.656 6.051 -1.300 1.00 . A A . 25 ALA O 1 1 7 3306 1 1 27 LYS C C 5.008 3.849 0.831 1.00 . A A . 26 LYS C 1 1 7 3307 1 1 27 LYS CA C 4.110 5.019 1.213 1.00 . A A . 26 LYS CA 1 1 7 3308 1 1 27 LYS CB C 3.405 4.731 2.540 1.00 . A A . 26 LYS CB 1 1 7 3309 1 1 27 LYS CD C 1.831 5.540 4.334 1.00 . A A . 26 LYS CD 1 1 7 3310 1 1 27 LYS CE C 2.784 5.292 5.495 1.00 . A A . 26 LYS CE 1 1 7 3311 1 1 27 LYS CG C 2.571 5.896 3.052 1.00 . A A . 26 LYS CG 1 1 7 3312 1 1 27 LYS H H 2.188 5.086 0.336 1.00 . A A . 26 LYS H 1 1 7 3313 1 1 27 LYS HA H 4.716 5.905 1.320 1.00 . A A . 26 LYS HA 1 1 7 3314 1 1 27 LYS HB2 H 2.754 3.880 2.412 1.00 . A A . 26 LYS HB2 1 1 7 3315 1 1 27 LYS HB3 H 4.148 4.493 3.283 1.00 . A A . 26 LYS HB3 1 1 7 3316 1 1 27 LYS HD2 H 1.171 6.354 4.593 1.00 . A A . 26 LYS HD2 1 1 7 3317 1 1 27 LYS HD3 H 1.248 4.645 4.163 1.00 . A A . 26 LYS HD3 1 1 7 3318 1 1 27 LYS HE2 H 2.208 5.002 6.359 1.00 . A A . 26 LYS HE2 1 1 7 3319 1 1 27 LYS HE3 H 3.458 4.491 5.228 1.00 . A A . 26 LYS HE3 1 1 7 3320 1 1 27 LYS HG2 H 3.224 6.734 3.248 1.00 . A A . 26 LYS HG2 1 1 7 3321 1 1 27 LYS HG3 H 1.851 6.169 2.296 1.00 . A A . 26 LYS HG3 1 1 7 3322 1 1 27 LYS HZ1 H 4.115 6.348 6.710 1.00 . A A . 26 LYS HZ1 1 1 7 3323 1 1 27 LYS HZ2 H 2.955 7.322 5.963 1.00 . A A . 26 LYS HZ2 1 1 7 3324 1 1 27 LYS HZ3 H 4.251 6.715 5.069 1.00 . A A . 26 LYS HZ3 1 1 7 3325 1 1 27 LYS N N 3.136 5.266 0.162 1.00 . A A . 26 LYS N 1 1 7 3326 1 1 27 LYS NZ N 3.581 6.502 5.832 1.00 . A A . 26 LYS NZ 1 1 7 3327 1 1 27 LYS O O 6.220 3.898 1.028 1.00 . A A . 26 LYS O 1 1 7 3328 1 1 28 4PH C33 C 6.595 -4.011 -2.956 1.00 . A A . 27 4PH C33 1 1 7 3329 1 1 28 4PH H33 H 5.952 -4.420 -3.717 1.00 . A A . 27 4PH H33 1 1 7 3330 1 1 28 4PH H33A H 7.541 -3.725 -3.392 1.00 . A A . 27 4PH H33A 1 1 7 3331 1 1 28 4PH H33B H 6.758 -4.759 -2.191 1.00 . A A . 27 4PH H33B 1 1 7 3332 1 1 29 GLN C C 7.710 3.823 -2.969 1.00 . A A . 28 GLN C 1 1 7 3333 1 1 29 GLN CA C 6.528 2.967 -3.416 1.00 . A A . 28 GLN CA 1 1 7 3334 1 1 29 GLN CB C 5.720 3.688 -4.500 1.00 . A A . 28 GLN CB 1 1 7 3335 1 1 29 GLN CD C 3.724 3.589 -6.051 1.00 . A A . 28 GLN CD 1 1 7 3336 1 1 29 GLN CG C 4.684 2.801 -5.182 1.00 . A A . 28 GLN CG 1 1 7 3337 1 1 29 GLN H H 4.732 2.933 -2.289 1.00 . A A . 28 GLN H 1 1 7 3338 1 1 29 GLN HA H 6.909 2.043 -3.821 1.00 . A A . 28 GLN HA 1 1 7 3339 1 1 29 GLN HB2 H 5.204 4.526 -4.050 1.00 . A A . 28 GLN HB2 1 1 7 3340 1 1 29 GLN HB3 H 6.403 4.060 -5.253 1.00 . A A . 28 GLN HB3 1 1 7 3341 1 1 29 GLN HE21 H 3.525 2.045 -7.279 1.00 . A A . 28 GLN HE21 1 1 7 3342 1 1 29 GLN HE22 H 2.615 3.455 -7.691 1.00 . A A . 28 GLN HE22 1 1 7 3343 1 1 29 GLN HG2 H 5.195 2.078 -5.801 1.00 . A A . 28 GLN HG2 1 1 7 3344 1 1 29 GLN HG3 H 4.115 2.282 -4.424 1.00 . A A . 28 GLN HG3 1 1 7 3345 1 1 29 GLN N N 5.671 2.633 -2.285 1.00 . A A . 28 GLN N 1 1 7 3346 1 1 29 GLN NE2 N 3.239 2.968 -7.113 1.00 . A A . 28 GLN NE2 1 1 7 3347 1 1 29 GLN O O 8.848 3.605 -3.394 1.00 . A A . 28 GLN O 1 1 7 3348 1 1 29 GLN OE1 O 3.420 4.748 -5.770 1.00 . A A . 28 GLN OE1 1 1 7 3349 1 1 30 LYS C C 9.428 4.887 -0.652 1.00 . A A . 29 LYS C 1 1 7 3350 1 1 30 LYS CA C 8.456 5.657 -1.545 1.00 . A A . 29 LYS CA 1 1 7 3351 1 1 30 LYS CB C 7.788 6.789 -0.755 1.00 . A A . 29 LYS CB 1 1 7 3352 1 1 30 LYS CD C 8.022 8.814 0.705 1.00 . A A . 29 LYS CD 1 1 7 3353 1 1 30 LYS CE C 8.915 9.565 1.679 1.00 . A A . 29 LYS CE 1 1 7 3354 1 1 30 LYS CG C 8.751 7.659 0.039 1.00 . A A . 29 LYS CG 1 1 7 3355 1 1 30 LYS H H 6.501 4.902 -1.808 1.00 . A A . 29 LYS H 1 1 7 3356 1 1 30 LYS HA H 9.005 6.082 -2.372 1.00 . A A . 29 LYS HA 1 1 7 3357 1 1 30 LYS HB2 H 7.255 7.424 -1.445 1.00 . A A . 29 LYS HB2 1 1 7 3358 1 1 30 LYS HB3 H 7.082 6.356 -0.064 1.00 . A A . 29 LYS HB3 1 1 7 3359 1 1 30 LYS HD2 H 7.684 9.501 -0.057 1.00 . A A . 29 LYS HD2 1 1 7 3360 1 1 30 LYS HD3 H 7.169 8.424 1.241 1.00 . A A . 29 LYS HD3 1 1 7 3361 1 1 30 LYS HE2 H 9.852 9.782 1.190 1.00 . A A . 29 LYS HE2 1 1 7 3362 1 1 30 LYS HE3 H 8.431 10.491 1.952 1.00 . A A . 29 LYS HE3 1 1 7 3363 1 1 30 LYS HG2 H 9.225 7.056 0.799 1.00 . A A . 29 LYS HG2 1 1 7 3364 1 1 30 LYS HG3 H 9.500 8.053 -0.631 1.00 . A A . 29 LYS HG3 1 1 7 3365 1 1 30 LYS HZ1 H 9.560 7.839 2.666 1.00 . A A . 29 LYS HZ1 1 1 7 3366 1 1 30 LYS HZ2 H 8.309 8.655 3.458 1.00 . A A . 29 LYS HZ2 1 1 7 3367 1 1 30 LYS HZ3 H 9.881 9.272 3.506 1.00 . A A . 29 LYS HZ3 1 1 7 3368 1 1 30 LYS N N 7.431 4.777 -2.093 1.00 . A A . 29 LYS N 1 1 7 3369 1 1 30 LYS NZ N 9.185 8.777 2.912 1.00 . A A . 29 LYS NZ 1 1 7 3370 1 1 30 LYS O O 10.645 5.078 -0.728 1.00 . A A . 29 LYS O 1 1 7 3371 1 1 31 ASP C C 10.475 2.140 0.459 1.00 . A A . 30 ASP C 1 1 7 3372 1 1 31 ASP CA C 9.705 3.269 1.144 1.00 . A A . 30 ASP CA 1 1 7 3373 1 1 31 ASP CB C 8.837 2.713 2.277 1.00 . A A . 30 ASP CB 1 1 7 3374 1 1 31 ASP CG C 9.656 2.254 3.465 1.00 . A A . 30 ASP CG 1 1 7 3375 1 1 31 ASP H H 7.917 3.853 0.155 1.00 . A A . 30 ASP H 1 1 7 3376 1 1 31 ASP HA H 10.418 3.965 1.563 1.00 . A A . 30 ASP HA 1 1 7 3377 1 1 31 ASP HB2 H 8.156 3.481 2.615 1.00 . A A . 30 ASP HB2 1 1 7 3378 1 1 31 ASP HB3 H 8.269 1.872 1.910 1.00 . A A . 30 ASP HB3 1 1 7 3379 1 1 31 ASP N N 8.890 4.007 0.182 1.00 . A A . 30 ASP N 1 1 7 3380 1 1 31 ASP O O 11.600 1.826 0.840 1.00 . A A . 30 ASP O 1 1 7 3381 1 1 31 ASP OD1 O 10.578 2.993 3.874 1.00 . A A . 30 ASP OD1 1 1 7 3382 1 1 31 ASP OD2 O 9.352 1.183 4.029 1.00 . A A . 30 ASP OD2 1 1 7 3383 1 1 32 LEU C C 11.732 1.037 -2.043 1.00 . A A . 31 LEU C 1 1 7 3384 1 1 32 LEU CA C 10.500 0.486 -1.338 1.00 . A A . 31 LEU CA 1 1 7 3385 1 1 32 LEU CB C 9.497 -0.081 -2.361 1.00 . A A . 31 LEU CB 1 1 7 3386 1 1 32 LEU CD1 C 10.971 -1.539 -3.802 1.00 . A A . 31 LEU CD1 1 1 7 3387 1 1 32 LEU CD2 C 9.955 -2.458 -1.717 1.00 . A A . 31 LEU CD2 1 1 7 3388 1 1 32 LEU CG C 9.766 -1.501 -2.880 1.00 . A A . 31 LEU CG 1 1 7 3389 1 1 32 LEU H H 8.948 1.818 -0.794 1.00 . A A . 31 LEU H 1 1 7 3390 1 1 32 LEU HA H 10.802 -0.293 -0.661 1.00 . A A . 31 LEU HA 1 1 7 3391 1 1 32 LEU HB2 H 8.517 -0.077 -1.906 1.00 . A A . 31 LEU HB2 1 1 7 3392 1 1 32 LEU HB3 H 9.478 0.584 -3.209 1.00 . A A . 31 LEU HB3 1 1 7 3393 1 1 32 LEU HD11 H 10.786 -0.916 -4.664 1.00 . A A . 31 LEU HD11 1 1 7 3394 1 1 32 LEU HD12 H 11.146 -2.555 -4.124 1.00 . A A . 31 LEU HD12 1 1 7 3395 1 1 32 LEU HD13 H 11.839 -1.173 -3.274 1.00 . A A . 31 LEU HD13 1 1 7 3396 1 1 32 LEU HD21 H 9.131 -2.347 -1.027 1.00 . A A . 31 LEU HD21 1 1 7 3397 1 1 32 LEU HD22 H 10.884 -2.234 -1.214 1.00 . A A . 31 LEU HD22 1 1 7 3398 1 1 32 LEU HD23 H 9.980 -3.471 -2.087 1.00 . A A . 31 LEU HD23 1 1 7 3399 1 1 32 LEU HG H 8.908 -1.834 -3.445 1.00 . A A . 31 LEU HG 1 1 7 3400 1 1 32 LEU N N 9.865 1.547 -0.562 1.00 . A A . 31 LEU N 1 1 7 3401 1 1 32 LEU O O 12.788 0.404 -2.066 1.00 . A A . 31 LEU O 1 1 7 3402 1 1 33 ALA C C 13.787 3.278 -2.297 1.00 . A A . 32 ALA C 1 1 7 3403 1 1 33 ALA CA C 12.679 2.905 -3.278 1.00 . A A . 32 ALA CA 1 1 7 3404 1 1 33 ALA CB C 12.153 4.141 -3.983 1.00 . A A . 32 ALA CB 1 1 7 3405 1 1 33 ALA H H 10.713 2.670 -2.556 1.00 . A A . 32 ALA H 1 1 7 3406 1 1 33 ALA HA H 13.077 2.234 -4.023 1.00 . A A . 32 ALA HA 1 1 7 3407 1 1 33 ALA HB1 H 11.343 3.862 -4.640 1.00 . A A . 32 ALA HB1 1 1 7 3408 1 1 33 ALA HB2 H 12.944 4.591 -4.560 1.00 . A A . 32 ALA HB2 1 1 7 3409 1 1 33 ALA HB3 H 11.794 4.846 -3.248 1.00 . A A . 32 ALA HB3 1 1 7 3410 1 1 33 ALA N N 11.587 2.231 -2.598 1.00 . A A . 32 ALA N 1 1 7 3411 1 1 33 ALA O O 14.966 3.294 -2.645 1.00 . A A . 32 ALA O 1 1 7 3412 1 1 34 ASP C C 15.058 2.680 0.512 1.00 . A A . 33 ASP C 1 1 7 3413 1 1 34 ASP CA C 14.332 3.924 -0.004 1.00 . A A . 33 ASP CA 1 1 7 3414 1 1 34 ASP CB C 13.587 4.618 1.144 1.00 . A A . 33 ASP CB 1 1 7 3415 1 1 34 ASP CG C 14.491 4.991 2.302 1.00 . A A . 33 ASP CG 1 1 7 3416 1 1 34 ASP H H 12.429 3.572 -0.870 1.00 . A A . 33 ASP H 1 1 7 3417 1 1 34 ASP HA H 15.058 4.607 -0.416 1.00 . A A . 33 ASP HA 1 1 7 3418 1 1 34 ASP HB2 H 13.125 5.519 0.773 1.00 . A A . 33 ASP HB2 1 1 7 3419 1 1 34 ASP HB3 H 12.820 3.955 1.515 1.00 . A A . 33 ASP HB3 1 1 7 3420 1 1 34 ASP N N 13.389 3.576 -1.068 1.00 . A A . 33 ASP N 1 1 7 3421 1 1 34 ASP O O 16.177 2.765 1.017 1.00 . A A . 33 ASP O 1 1 7 3422 1 1 34 ASP OD1 O 15.243 5.980 2.177 1.00 . A A . 33 ASP OD1 1 1 7 3423 1 1 34 ASP OD2 O 14.468 4.288 3.337 1.00 . A A . 33 ASP OD2 1 1 7 3424 1 1 35 4PH C33 C 15.409 -5.944 2.642 1.00 . A A . 34 4PH C33 1 1 7 3425 1 1 35 4PH H33 H 15.827 -6.519 1.830 1.00 . A A . 34 4PH H33 1 1 7 3426 1 1 35 4PH H33A H 16.139 -5.843 3.431 1.00 . A A . 34 4PH H33A 1 1 7 3427 1 1 35 4PH H33B H 14.531 -6.453 3.019 1.00 . A A . 34 4PH H33B 1 1 7 3428 1 1 36 NH2 HN1 H 15.395 0.811 -1.604 1.00 . A A . 35 NH2 HN1 1 1 7 3429 1 1 36 NH2 HN2 H 16.912 0.030 -1.876 1.00 . A A . 35 NH2 HN2 1 1 7 3430 1 1 36 NH2 N N 16.157 0.272 -1.301 1.00 . A A . 35 NH2 N 1 1 8 3431 1 1 1 ACE C C 12.038 -2.883 6.629 1.00 . A A . 0 ACE C 1 1 8 3432 1 1 1 ACE CH3 C 13.023 -1.901 6.059 1.00 . A A . 0 ACE CH3 1 1 8 3433 1 1 1 ACE H1 H 13.843 -2.452 5.613 1.00 . A A . 0 ACE H1 1 1 8 3434 1 1 1 ACE H2 H 13.398 -1.275 6.846 1.00 . A A . 0 ACE H2 1 1 8 3435 1 1 1 ACE H3 H 12.515 -1.289 5.321 1.00 . A A . 0 ACE H3 1 1 8 3436 1 1 1 ACE O O 11.278 -2.561 7.544 1.00 . A A . 0 ACE O 1 1 8 3437 1 1 2 PRO C C 10.186 -3.894 4.449 1.00 . A A . 1 PRO C 1 1 8 3438 1 1 2 PRO CA C 11.613 -4.369 4.714 1.00 . A A . 1 PRO CA 1 1 8 3439 1 1 2 PRO CB C 11.696 -5.896 4.593 1.00 . A A . 1 PRO CB 1 1 8 3440 1 1 2 PRO CD C 12.415 -5.339 6.802 1.00 . A A . 1 PRO CD 1 1 8 3441 1 1 2 PRO CG C 12.606 -6.331 5.688 1.00 . A A . 1 PRO CG 1 1 8 3442 1 1 2 PRO HA H 12.286 -3.909 4.006 1.00 . A A . 1 PRO HA 1 1 8 3443 1 1 2 PRO HB2 H 10.710 -6.327 4.715 1.00 . A A . 1 PRO HB2 1 1 8 3444 1 1 2 PRO HB3 H 12.110 -6.172 3.636 1.00 . A A . 1 PRO HB3 1 1 8 3445 1 1 2 PRO HD2 H 11.631 -5.662 7.472 1.00 . A A . 1 PRO HD2 1 1 8 3446 1 1 2 PRO HD3 H 13.340 -5.194 7.344 1.00 . A A . 1 PRO HD3 1 1 8 3447 1 1 2 PRO HG2 H 12.335 -7.329 6.013 1.00 . A A . 1 PRO HG2 1 1 8 3448 1 1 2 PRO HG3 H 13.631 -6.309 5.347 1.00 . A A . 1 PRO HG3 1 1 8 3449 1 1 2 PRO N N 12.026 -4.108 6.096 1.00 . A A . 1 PRO N 1 1 8 3450 1 1 2 PRO O O 9.245 -4.363 5.090 1.00 . A A . 1 PRO O 1 1 8 3451 1 1 3 PRO C C 7.804 -3.553 2.586 1.00 . A A . 2 PRO C 1 1 8 3452 1 1 3 PRO CA C 8.681 -2.440 3.150 1.00 . A A . 2 PRO CA 1 1 8 3453 1 1 3 PRO CB C 8.960 -1.391 2.066 1.00 . A A . 2 PRO CB 1 1 8 3454 1 1 3 PRO CD C 11.084 -2.272 2.768 1.00 . A A . 2 PRO CD 1 1 8 3455 1 1 3 PRO CG C 10.410 -1.070 2.165 1.00 . A A . 2 PRO CG 1 1 8 3456 1 1 3 PRO HA H 8.186 -1.977 3.992 1.00 . A A . 2 PRO HA 1 1 8 3457 1 1 3 PRO HB2 H 8.725 -1.803 1.093 1.00 . A A . 2 PRO HB2 1 1 8 3458 1 1 3 PRO HB3 H 8.373 -0.503 2.246 1.00 . A A . 2 PRO HB3 1 1 8 3459 1 1 3 PRO HD2 H 11.469 -2.919 1.992 1.00 . A A . 2 PRO HD2 1 1 8 3460 1 1 3 PRO HD3 H 11.881 -1.962 3.429 1.00 . A A . 2 PRO HD3 1 1 8 3461 1 1 3 PRO HG2 H 10.803 -0.873 1.177 1.00 . A A . 2 PRO HG2 1 1 8 3462 1 1 3 PRO HG3 H 10.551 -0.210 2.802 1.00 . A A . 2 PRO HG3 1 1 8 3463 1 1 3 PRO N N 10.009 -2.939 3.520 1.00 . A A . 2 PRO N 1 1 8 3464 1 1 3 PRO O O 8.142 -4.164 1.570 1.00 . A A . 2 PRO O 1 1 8 3465 1 1 4 THR C C 4.673 -4.354 1.959 1.00 . A A . 3 THR C 1 1 8 3466 1 1 4 THR CA C 5.799 -4.884 2.834 1.00 . A A . 3 THR CA 1 1 8 3467 1 1 4 THR CB C 5.207 -5.605 4.058 1.00 . A A . 3 THR CB 1 1 8 3468 1 1 4 THR CG2 C 6.232 -6.537 4.685 1.00 . A A . 3 THR CG2 1 1 8 3469 1 1 4 THR H H 6.444 -3.267 4.019 1.00 . A A . 3 THR H 1 1 8 3470 1 1 4 THR HA H 6.376 -5.599 2.266 1.00 . A A . 3 THR HA 1 1 8 3471 1 1 4 THR HB H 4.362 -6.192 3.734 1.00 . A A . 3 THR HB 1 1 8 3472 1 1 4 THR HG1 H 4.476 -5.109 5.826 1.00 . A A . 3 THR HG1 1 1 8 3473 1 1 4 THR HG21 H 7.103 -5.973 4.983 1.00 . A A . 3 THR HG21 1 1 8 3474 1 1 4 THR HG22 H 6.520 -7.290 3.967 1.00 . A A . 3 THR HG22 1 1 8 3475 1 1 4 THR HG23 H 5.799 -7.014 5.552 1.00 . A A . 3 THR HG23 1 1 8 3476 1 1 4 THR N N 6.688 -3.815 3.243 1.00 . A A . 3 THR N 1 1 8 3477 1 1 4 THR O O 4.172 -3.246 2.169 1.00 . A A . 3 THR O 1 1 8 3478 1 1 4 THR OG1 O 4.762 -4.645 5.027 1.00 . A A . 3 THR OG1 1 1 8 3479 1 1 5 LYS C C 1.864 -5.052 0.726 1.00 . A A . 4 LYS C 1 1 8 3480 1 1 5 LYS CA C 3.211 -4.746 0.076 1.00 . A A . 4 LYS CA 1 1 8 3481 1 1 5 LYS CB C 3.318 -5.475 -1.275 1.00 . A A . 4 LYS CB 1 1 8 3482 1 1 5 LYS CD C 2.976 -7.607 -2.574 1.00 . A A . 4 LYS CD 1 1 8 3483 1 1 5 LYS CE C 2.410 -9.017 -2.517 1.00 . A A . 4 LYS CE 1 1 8 3484 1 1 5 LYS CG C 2.893 -6.931 -1.215 1.00 . A A . 4 LYS CG 1 1 8 3485 1 1 5 LYS H H 4.735 -5.999 0.839 1.00 . A A . 4 LYS H 1 1 8 3486 1 1 5 LYS HA H 3.287 -3.683 -0.087 1.00 . A A . 4 LYS HA 1 1 8 3487 1 1 5 LYS HB2 H 2.692 -4.970 -1.997 1.00 . A A . 4 LYS HB2 1 1 8 3488 1 1 5 LYS HB3 H 4.343 -5.437 -1.613 1.00 . A A . 4 LYS HB3 1 1 8 3489 1 1 5 LYS HD2 H 2.411 -7.030 -3.291 1.00 . A A . 4 LYS HD2 1 1 8 3490 1 1 5 LYS HD3 H 4.010 -7.656 -2.882 1.00 . A A . 4 LYS HD3 1 1 8 3491 1 1 5 LYS HE2 H 2.959 -9.583 -1.783 1.00 . A A . 4 LYS HE2 1 1 8 3492 1 1 5 LYS HE3 H 1.372 -8.962 -2.224 1.00 . A A . 4 LYS HE3 1 1 8 3493 1 1 5 LYS HG2 H 3.538 -7.452 -0.526 1.00 . A A . 4 LYS HG2 1 1 8 3494 1 1 5 LYS HG3 H 1.872 -6.976 -0.861 1.00 . A A . 4 LYS HG3 1 1 8 3495 1 1 5 LYS HZ1 H 1.993 -9.171 -4.551 1.00 . A A . 4 LYS HZ1 1 1 8 3496 1 1 5 LYS HZ2 H 2.086 -10.659 -3.759 1.00 . A A . 4 LYS HZ2 1 1 8 3497 1 1 5 LYS HZ3 H 3.498 -9.800 -4.112 1.00 . A A . 4 LYS HZ3 1 1 8 3498 1 1 5 LYS N N 4.288 -5.136 0.967 1.00 . A A . 4 LYS N 1 1 8 3499 1 1 5 LYS NZ N 2.503 -9.708 -3.826 1.00 . A A . 4 LYS NZ 1 1 8 3500 1 1 5 LYS O O 1.701 -6.084 1.379 1.00 . A A . 4 LYS O 1 1 8 3501 1 1 6 PRO C C -1.207 -5.304 0.043 1.00 . A A . 5 PRO C 1 1 8 3502 1 1 6 PRO CA C -0.472 -4.413 1.038 1.00 . A A . 5 PRO CA 1 1 8 3503 1 1 6 PRO CB C -1.089 -3.020 1.087 1.00 . A A . 5 PRO CB 1 1 8 3504 1 1 6 PRO CD C 1.036 -2.797 0.013 1.00 . A A . 5 PRO CD 1 1 8 3505 1 1 6 PRO CG C -0.370 -2.258 0.029 1.00 . A A . 5 PRO CG 1 1 8 3506 1 1 6 PRO HA H -0.496 -4.865 2.020 1.00 . A A . 5 PRO HA 1 1 8 3507 1 1 6 PRO HB2 H -2.148 -3.079 0.879 1.00 . A A . 5 PRO HB2 1 1 8 3508 1 1 6 PRO HB3 H -0.918 -2.569 2.050 1.00 . A A . 5 PRO HB3 1 1 8 3509 1 1 6 PRO HD2 H 1.404 -2.849 -1.002 1.00 . A A . 5 PRO HD2 1 1 8 3510 1 1 6 PRO HD3 H 1.684 -2.183 0.624 1.00 . A A . 5 PRO HD3 1 1 8 3511 1 1 6 PRO HG2 H -0.848 -2.422 -0.929 1.00 . A A . 5 PRO HG2 1 1 8 3512 1 1 6 PRO HG3 H -0.361 -1.208 0.272 1.00 . A A . 5 PRO HG3 1 1 8 3513 1 1 6 PRO N N 0.892 -4.149 0.593 1.00 . A A . 5 PRO N 1 1 8 3514 1 1 6 PRO O O -0.870 -5.327 -1.146 1.00 . A A . 5 PRO O 1 1 8 3515 1 1 7 THR C C -4.009 -6.179 -1.110 1.00 . A A . 6 THR C 1 1 8 3516 1 1 7 THR CA C -2.926 -6.940 -0.357 1.00 . A A . 6 THR CA 1 1 8 3517 1 1 7 THR CB C -3.545 -8.127 0.413 1.00 . A A . 6 THR CB 1 1 8 3518 1 1 7 THR CG2 C -4.701 -7.677 1.295 1.00 . A A . 6 THR CG2 1 1 8 3519 1 1 7 THR H H -2.437 -5.977 1.463 1.00 . A A . 6 THR H 1 1 8 3520 1 1 7 THR HA H -2.227 -7.338 -1.077 1.00 . A A . 6 THR HA 1 1 8 3521 1 1 7 THR HB H -2.783 -8.562 1.039 1.00 . A A . 6 THR HB 1 1 8 3522 1 1 7 THR HG1 H -4.967 -9.197 -0.443 1.00 . A A . 6 THR HG1 1 1 8 3523 1 1 7 THR HG21 H -5.451 -7.193 0.687 1.00 . A A . 6 THR HG21 1 1 8 3524 1 1 7 THR HG22 H -4.337 -6.985 2.038 1.00 . A A . 6 THR HG22 1 1 8 3525 1 1 7 THR HG23 H -5.134 -8.536 1.784 1.00 . A A . 6 THR HG23 1 1 8 3526 1 1 7 THR N N -2.192 -6.044 0.516 1.00 . A A . 6 THR N 1 1 8 3527 1 1 7 THR O O -4.453 -5.113 -0.680 1.00 . A A . 6 THR O 1 1 8 3528 1 1 7 THR OG1 O -4.008 -9.121 -0.512 1.00 . A A . 6 THR OG1 1 1 8 3529 1 1 8 LYS C C -6.761 -6.052 -2.395 1.00 . A A . 7 LYS C 1 1 8 3530 1 1 8 LYS CA C -5.407 -6.098 -3.091 1.00 . A A . 7 LYS CA 1 1 8 3531 1 1 8 LYS CB C -5.527 -6.859 -4.410 1.00 . A A . 7 LYS CB 1 1 8 3532 1 1 8 LYS CD C -3.713 -5.554 -5.552 1.00 . A A . 7 LYS CD 1 1 8 3533 1 1 8 LYS CE C -2.473 -5.635 -6.422 1.00 . A A . 7 LYS CE 1 1 8 3534 1 1 8 LYS CG C -4.227 -6.936 -5.188 1.00 . A A . 7 LYS CG 1 1 8 3535 1 1 8 LYS H H -4.027 -7.587 -2.507 1.00 . A A . 7 LYS H 1 1 8 3536 1 1 8 LYS HA H -5.080 -5.091 -3.295 1.00 . A A . 7 LYS HA 1 1 8 3537 1 1 8 LYS HB2 H -5.858 -7.865 -4.203 1.00 . A A . 7 LYS HB2 1 1 8 3538 1 1 8 LYS HB3 H -6.262 -6.368 -5.029 1.00 . A A . 7 LYS HB3 1 1 8 3539 1 1 8 LYS HD2 H -4.485 -5.022 -6.090 1.00 . A A . 7 LYS HD2 1 1 8 3540 1 1 8 LYS HD3 H -3.468 -5.022 -4.644 1.00 . A A . 7 LYS HD3 1 1 8 3541 1 1 8 LYS HE2 H -2.134 -4.632 -6.634 1.00 . A A . 7 LYS HE2 1 1 8 3542 1 1 8 LYS HE3 H -1.705 -6.168 -5.884 1.00 . A A . 7 LYS HE3 1 1 8 3543 1 1 8 LYS HG2 H -3.486 -7.434 -4.581 1.00 . A A . 7 LYS HG2 1 1 8 3544 1 1 8 LYS HG3 H -4.393 -7.499 -6.092 1.00 . A A . 7 LYS HG3 1 1 8 3545 1 1 8 LYS HZ1 H -1.894 -6.327 -8.303 1.00 . A A . 7 LYS HZ1 1 1 8 3546 1 1 8 LYS HZ2 H -3.518 -5.863 -8.212 1.00 . A A . 7 LYS HZ2 1 1 8 3547 1 1 8 LYS HZ3 H -3.017 -7.321 -7.524 1.00 . A A . 7 LYS HZ3 1 1 8 3548 1 1 8 LYS N N -4.411 -6.727 -2.240 1.00 . A A . 7 LYS N 1 1 8 3549 1 1 8 LYS NZ N -2.744 -6.335 -7.704 1.00 . A A . 7 LYS NZ 1 1 8 3550 1 1 8 LYS O O -7.280 -7.089 -1.976 1.00 . A A . 7 LYS O 1 1 8 3551 1 1 9 PRO C C -9.763 -5.367 -2.396 1.00 . A A . 8 PRO C 1 1 8 3552 1 1 9 PRO CA C -8.648 -4.687 -1.614 1.00 . A A . 8 PRO CA 1 1 8 3553 1 1 9 PRO CB C -8.870 -3.170 -1.596 1.00 . A A . 8 PRO CB 1 1 8 3554 1 1 9 PRO CD C -6.772 -3.561 -2.670 1.00 . A A . 8 PRO CD 1 1 8 3555 1 1 9 PRO CG C -7.539 -2.561 -1.852 1.00 . A A . 8 PRO CG 1 1 8 3556 1 1 9 PRO HA H -8.644 -5.065 -0.603 1.00 . A A . 8 PRO HA 1 1 8 3557 1 1 9 PRO HB2 H -9.573 -2.894 -2.373 1.00 . A A . 8 PRO HB2 1 1 8 3558 1 1 9 PRO HB3 H -9.241 -2.865 -0.629 1.00 . A A . 8 PRO HB3 1 1 8 3559 1 1 9 PRO HD2 H -6.936 -3.391 -3.726 1.00 . A A . 8 PRO HD2 1 1 8 3560 1 1 9 PRO HD3 H -5.718 -3.505 -2.434 1.00 . A A . 8 PRO HD3 1 1 8 3561 1 1 9 PRO HG2 H -7.662 -1.637 -2.402 1.00 . A A . 8 PRO HG2 1 1 8 3562 1 1 9 PRO HG3 H -7.026 -2.376 -0.919 1.00 . A A . 8 PRO HG3 1 1 8 3563 1 1 9 PRO N N -7.343 -4.851 -2.247 1.00 . A A . 8 PRO N 1 1 8 3564 1 1 9 PRO O O -10.103 -4.958 -3.507 1.00 . A A . 8 PRO O 1 1 8 3565 1 1 10 GLY C C -12.698 -6.644 -1.565 1.00 . A A . 9 GLY C 1 1 8 3566 1 1 10 GLY CA C -11.484 -7.048 -2.364 1.00 . A A . 9 GLY CA 1 1 8 3567 1 1 10 GLY H H -9.873 -6.802 -1.025 1.00 . A A . 9 GLY H 1 1 8 3568 1 1 10 GLY HA2 H -11.610 -6.736 -3.388 1.00 . A A . 9 GLY HA2 1 1 8 3569 1 1 10 GLY HA3 H -11.378 -8.121 -2.327 1.00 . A A . 9 GLY HA3 1 1 8 3570 1 1 10 GLY N N -10.295 -6.430 -1.826 1.00 . A A . 9 GLY N 1 1 8 3571 1 1 10 GLY O O -13.630 -6.026 -2.084 1.00 . A A . 9 GLY O 1 1 8 3572 1 1 11 ASP C C -13.595 -5.173 1.107 1.00 . A A . 10 ASP C 1 1 8 3573 1 1 11 ASP CA C -13.735 -6.617 0.637 1.00 . A A . 10 ASP CA 1 1 8 3574 1 1 11 ASP CB C -13.721 -7.562 1.840 1.00 . A A . 10 ASP CB 1 1 8 3575 1 1 11 ASP CG C -14.712 -7.160 2.912 1.00 . A A . 10 ASP CG 1 1 8 3576 1 1 11 ASP H H -11.881 -7.459 0.056 1.00 . A A . 10 ASP H 1 1 8 3577 1 1 11 ASP HA H -14.672 -6.726 0.113 1.00 . A A . 10 ASP HA 1 1 8 3578 1 1 11 ASP HB2 H -13.968 -8.558 1.510 1.00 . A A . 10 ASP HB2 1 1 8 3579 1 1 11 ASP HB3 H -12.731 -7.567 2.276 1.00 . A A . 10 ASP HB3 1 1 8 3580 1 1 11 ASP N N -12.661 -6.965 -0.284 1.00 . A A . 10 ASP N 1 1 8 3581 1 1 11 ASP O O -14.565 -4.416 1.132 1.00 . A A . 10 ASP O 1 1 8 3582 1 1 11 ASP OD1 O -15.845 -7.684 2.911 1.00 . A A . 10 ASP OD1 1 1 8 3583 1 1 11 ASP OD2 O -14.359 -6.330 3.772 1.00 . A A . 10 ASP OD2 1 1 8 3584 1 1 12 ASN C C -11.946 -2.424 0.869 1.00 . A A . 11 ASN C 1 1 8 3585 1 1 12 ASN CA C -12.111 -3.452 1.986 1.00 . A A . 11 ASN CA 1 1 8 3586 1 1 12 ASN CB C -10.877 -3.456 2.902 1.00 . A A . 11 ASN CB 1 1 8 3587 1 1 12 ASN CG C -9.579 -3.766 2.178 1.00 . A A . 11 ASN CG 1 1 8 3588 1 1 12 ASN H H -11.629 -5.416 1.351 1.00 . A A . 11 ASN H 1 1 8 3589 1 1 12 ASN HA H -12.971 -3.171 2.573 1.00 . A A . 11 ASN HA 1 1 8 3590 1 1 12 ASN HB2 H -10.781 -2.487 3.363 1.00 . A A . 11 ASN HB2 1 1 8 3591 1 1 12 ASN HB3 H -11.020 -4.198 3.675 1.00 . A A . 11 ASN HB3 1 1 8 3592 1 1 12 ASN HD21 H -9.201 -1.831 1.930 1.00 . A A . 11 ASN HD21 1 1 8 3593 1 1 12 ASN HD22 H -8.008 -2.916 1.307 1.00 . A A . 11 ASN HD22 1 1 8 3594 1 1 12 ASN N N -12.373 -4.786 1.452 1.00 . A A . 11 ASN N 1 1 8 3595 1 1 12 ASN ND2 N -8.862 -2.733 1.760 1.00 . A A . 11 ASN ND2 1 1 8 3596 1 1 12 ASN O O -11.545 -1.287 1.117 1.00 . A A . 11 ASN O 1 1 8 3597 1 1 12 ASN OD1 O -9.213 -4.927 2.012 1.00 . A A . 11 ASN OD1 1 1 8 3598 1 1 13 ALA C C -13.139 -0.819 -1.545 1.00 . A A . 12 ALA C 1 1 8 3599 1 1 13 ALA CA C -12.133 -1.969 -1.533 1.00 . A A . 12 ALA CA 1 1 8 3600 1 1 13 ALA CB C -12.280 -2.797 -2.797 1.00 . A A . 12 ALA CB 1 1 8 3601 1 1 13 ALA H H -12.638 -3.730 -0.471 1.00 . A A . 12 ALA H 1 1 8 3602 1 1 13 ALA HA H -11.137 -1.559 -1.520 1.00 . A A . 12 ALA HA 1 1 8 3603 1 1 13 ALA HB1 H -11.588 -3.626 -2.767 1.00 . A A . 12 ALA HB1 1 1 8 3604 1 1 13 ALA HB2 H -12.065 -2.179 -3.657 1.00 . A A . 12 ALA HB2 1 1 8 3605 1 1 13 ALA HB3 H -13.290 -3.173 -2.865 1.00 . A A . 12 ALA HB3 1 1 8 3606 1 1 13 ALA N N -12.277 -2.827 -0.355 1.00 . A A . 12 ALA N 1 1 8 3607 1 1 13 ALA O O -13.250 -0.097 -2.535 1.00 . A A . 12 ALA O 1 1 8 3608 1 1 14 THR C C -14.162 1.782 -0.556 1.00 . A A . 13 THR C 1 1 8 3609 1 1 14 THR CA C -14.823 0.427 -0.298 1.00 . A A . 13 THR CA 1 1 8 3610 1 1 14 THR CB C -15.421 0.418 1.113 1.00 . A A . 13 THR CB 1 1 8 3611 1 1 14 THR CG2 C -16.389 -0.739 1.283 1.00 . A A . 13 THR CG2 1 1 8 3612 1 1 14 THR H H -13.748 -1.294 0.287 1.00 . A A . 13 THR H 1 1 8 3613 1 1 14 THR HA H -15.622 0.280 -1.007 1.00 . A A . 13 THR HA 1 1 8 3614 1 1 14 THR HB H -15.958 1.342 1.261 1.00 . A A . 13 THR HB 1 1 8 3615 1 1 14 THR HG1 H -13.519 0.254 1.627 1.00 . A A . 13 THR HG1 1 1 8 3616 1 1 14 THR HG21 H -16.817 -0.706 2.273 1.00 . A A . 13 THR HG21 1 1 8 3617 1 1 14 THR HG22 H -15.864 -1.674 1.149 1.00 . A A . 13 THR HG22 1 1 8 3618 1 1 14 THR HG23 H -17.174 -0.659 0.547 1.00 . A A . 13 THR HG23 1 1 8 3619 1 1 14 THR N N -13.865 -0.661 -0.449 1.00 . A A . 13 THR N 1 1 8 3620 1 1 14 THR O O -13.048 2.018 -0.097 1.00 . A A . 13 THR O 1 1 8 3621 1 1 14 THR OG1 O -14.368 0.321 2.083 1.00 . A A . 13 THR OG1 1 1 8 3622 1 1 15 PRO C C -13.542 4.724 -0.605 1.00 . A A . 14 PRO C 1 1 8 3623 1 1 15 PRO CA C -14.324 3.991 -1.699 1.00 . A A . 14 PRO CA 1 1 8 3624 1 1 15 PRO CB C -15.590 4.772 -2.047 1.00 . A A . 14 PRO CB 1 1 8 3625 1 1 15 PRO CD C -16.230 2.468 -1.781 1.00 . A A . 14 PRO CD 1 1 8 3626 1 1 15 PRO CG C -16.568 3.750 -2.507 1.00 . A A . 14 PRO CG 1 1 8 3627 1 1 15 PRO HA H -13.703 3.902 -2.578 1.00 . A A . 14 PRO HA 1 1 8 3628 1 1 15 PRO HB2 H -15.955 5.289 -1.168 1.00 . A A . 14 PRO HB2 1 1 8 3629 1 1 15 PRO HB3 H -15.391 5.477 -2.839 1.00 . A A . 14 PRO HB3 1 1 8 3630 1 1 15 PRO HD2 H -16.912 2.308 -0.959 1.00 . A A . 14 PRO HD2 1 1 8 3631 1 1 15 PRO HD3 H -16.264 1.631 -2.461 1.00 . A A . 14 PRO HD3 1 1 8 3632 1 1 15 PRO HG2 H -17.572 4.074 -2.259 1.00 . A A . 14 PRO HG2 1 1 8 3633 1 1 15 PRO HG3 H -16.471 3.606 -3.574 1.00 . A A . 14 PRO HG3 1 1 8 3634 1 1 15 PRO N N -14.855 2.679 -1.285 1.00 . A A . 14 PRO N 1 1 8 3635 1 1 15 PRO O O -12.482 5.296 -0.865 1.00 . A A . 14 PRO O 1 1 8 3636 1 1 16 GLU C C -12.084 4.775 2.091 1.00 . A A . 15 GLU C 1 1 8 3637 1 1 16 GLU CA C -13.427 5.406 1.725 1.00 . A A . 15 GLU CA 1 1 8 3638 1 1 16 GLU CB C -14.353 5.416 2.945 1.00 . A A . 15 GLU CB 1 1 8 3639 1 1 16 GLU CD C -16.568 6.130 3.915 1.00 . A A . 15 GLU CD 1 1 8 3640 1 1 16 GLU CG C -15.617 6.229 2.740 1.00 . A A . 15 GLU CG 1 1 8 3641 1 1 16 GLU H H -14.880 4.182 0.778 1.00 . A A . 15 GLU H 1 1 8 3642 1 1 16 GLU HA H -13.256 6.422 1.409 1.00 . A A . 15 GLU HA 1 1 8 3643 1 1 16 GLU HB2 H -14.641 4.402 3.173 1.00 . A A . 15 GLU HB2 1 1 8 3644 1 1 16 GLU HB3 H -13.818 5.827 3.787 1.00 . A A . 15 GLU HB3 1 1 8 3645 1 1 16 GLU HG2 H -15.348 7.265 2.601 1.00 . A A . 15 GLU HG2 1 1 8 3646 1 1 16 GLU HG3 H -16.120 5.865 1.859 1.00 . A A . 15 GLU HG3 1 1 8 3647 1 1 16 GLU N N -14.059 4.696 0.616 1.00 . A A . 15 GLU N 1 1 8 3648 1 1 16 GLU O O -11.072 5.466 2.212 1.00 . A A . 15 GLU O 1 1 8 3649 1 1 16 GLU OE1 O -17.421 5.220 3.928 1.00 . A A . 15 GLU OE1 1 1 8 3650 1 1 16 GLU OE2 O -16.463 6.967 4.834 1.00 . A A . 15 GLU OE2 1 1 8 3651 1 1 17 LYS C C -9.940 2.489 1.494 1.00 . A A . 16 LYS C 1 1 8 3652 1 1 17 LYS CA C -10.885 2.744 2.668 1.00 . A A . 16 LYS CA 1 1 8 3653 1 1 17 LYS CB C -11.296 1.434 3.342 1.00 . A A . 16 LYS CB 1 1 8 3654 1 1 17 LYS CD C -10.711 -0.307 5.036 1.00 . A A . 16 LYS CD 1 1 8 3655 1 1 17 LYS CE C -9.601 -1.032 5.779 1.00 . A A . 16 LYS CE 1 1 8 3656 1 1 17 LYS CG C -10.165 0.726 4.068 1.00 . A A . 16 LYS CG 1 1 8 3657 1 1 17 LYS H H -12.881 2.953 2.010 1.00 . A A . 16 LYS H 1 1 8 3658 1 1 17 LYS HA H -10.379 3.367 3.391 1.00 . A A . 16 LYS HA 1 1 8 3659 1 1 17 LYS HB2 H -12.075 1.644 4.061 1.00 . A A . 16 LYS HB2 1 1 8 3660 1 1 17 LYS HB3 H -11.686 0.762 2.587 1.00 . A A . 16 LYS HB3 1 1 8 3661 1 1 17 LYS HD2 H -11.341 0.192 5.756 1.00 . A A . 16 LYS HD2 1 1 8 3662 1 1 17 LYS HD3 H -11.296 -1.027 4.486 1.00 . A A . 16 LYS HD3 1 1 8 3663 1 1 17 LYS HE2 H -9.016 -1.596 5.068 1.00 . A A . 16 LYS HE2 1 1 8 3664 1 1 17 LYS HE3 H -8.970 -0.299 6.262 1.00 . A A . 16 LYS HE3 1 1 8 3665 1 1 17 LYS HG2 H -9.533 0.233 3.344 1.00 . A A . 16 LYS HG2 1 1 8 3666 1 1 17 LYS HG3 H -9.590 1.455 4.619 1.00 . A A . 16 LYS HG3 1 1 8 3667 1 1 17 LYS HZ1 H -9.367 -2.446 7.295 1.00 . A A . 16 LYS HZ1 1 1 8 3668 1 1 17 LYS HZ2 H -10.756 -2.669 6.361 1.00 . A A . 16 LYS HZ2 1 1 8 3669 1 1 17 LYS HZ3 H -10.701 -1.431 7.507 1.00 . A A . 16 LYS HZ3 1 1 8 3670 1 1 17 LYS N N -12.073 3.459 2.225 1.00 . A A . 16 LYS N 1 1 8 3671 1 1 17 LYS NZ N -10.142 -1.958 6.806 1.00 . A A . 16 LYS NZ 1 1 8 3672 1 1 17 LYS O O -8.767 2.166 1.679 1.00 . A A . 16 LYS O 1 1 8 3673 1 1 18 LEU C C -8.645 3.650 -1.001 1.00 . A A . 17 LEU C 1 1 8 3674 1 1 18 LEU CA C -9.665 2.520 -0.924 1.00 . A A . 17 LEU CA 1 1 8 3675 1 1 18 LEU CB C -10.575 2.537 -2.153 1.00 . A A . 17 LEU CB 1 1 8 3676 1 1 18 LEU CD1 C -9.264 0.882 -3.493 1.00 . A A . 17 LEU CD1 1 1 8 3677 1 1 18 LEU CD2 C -10.891 2.399 -4.617 1.00 . A A . 17 LEU CD2 1 1 8 3678 1 1 18 LEU CG C -9.889 2.266 -3.488 1.00 . A A . 17 LEU CG 1 1 8 3679 1 1 18 LEU H H -11.418 2.859 0.205 1.00 . A A . 17 LEU H 1 1 8 3680 1 1 18 LEU HA H -9.145 1.576 -0.879 1.00 . A A . 17 LEU HA 1 1 8 3681 1 1 18 LEU HB2 H -11.342 1.788 -2.017 1.00 . A A . 17 LEU HB2 1 1 8 3682 1 1 18 LEU HB3 H -11.047 3.505 -2.210 1.00 . A A . 17 LEU HB3 1 1 8 3683 1 1 18 LEU HD11 H -8.789 0.706 -4.445 1.00 . A A . 17 LEU HD11 1 1 8 3684 1 1 18 LEU HD12 H -10.033 0.141 -3.331 1.00 . A A . 17 LEU HD12 1 1 8 3685 1 1 18 LEU HD13 H -8.531 0.816 -2.706 1.00 . A A . 17 LEU HD13 1 1 8 3686 1 1 18 LEU HD21 H -10.405 2.193 -5.558 1.00 . A A . 17 LEU HD21 1 1 8 3687 1 1 18 LEU HD22 H -11.289 3.404 -4.627 1.00 . A A . 17 LEU HD22 1 1 8 3688 1 1 18 LEU HD23 H -11.696 1.696 -4.463 1.00 . A A . 17 LEU HD23 1 1 8 3689 1 1 18 LEU HG H -9.105 2.993 -3.642 1.00 . A A . 17 LEU HG 1 1 8 3690 1 1 18 LEU N N -10.461 2.653 0.287 1.00 . A A . 17 LEU N 1 1 8 3691 1 1 18 LEU O O -7.513 3.459 -1.449 1.00 . A A . 17 LEU O 1 1 8 3692 1 1 19 ALA C C -7.082 5.737 0.570 1.00 . A A . 18 ALA C 1 1 8 3693 1 1 19 ALA CA C -8.164 5.973 -0.470 1.00 . A A . 18 ALA CA 1 1 8 3694 1 1 19 ALA CB C -8.952 7.227 -0.142 1.00 . A A . 18 ALA CB 1 1 8 3695 1 1 19 ALA H H -9.976 4.917 -0.227 1.00 . A A . 18 ALA H 1 1 8 3696 1 1 19 ALA HA H -7.706 6.099 -1.438 1.00 . A A . 18 ALA HA 1 1 8 3697 1 1 19 ALA HB1 H -8.279 8.069 -0.079 1.00 . A A . 18 ALA HB1 1 1 8 3698 1 1 19 ALA HB2 H -9.457 7.096 0.803 1.00 . A A . 18 ALA HB2 1 1 8 3699 1 1 19 ALA HB3 H -9.679 7.406 -0.918 1.00 . A A . 18 ALA HB3 1 1 8 3700 1 1 19 ALA N N -9.052 4.823 -0.535 1.00 . A A . 18 ALA N 1 1 8 3701 1 1 19 ALA O O -5.920 6.099 0.375 1.00 . A A . 18 ALA O 1 1 8 3702 1 1 20 LYS C C -5.541 3.722 2.197 1.00 . A A . 19 LYS C 1 1 8 3703 1 1 20 LYS CA C -6.558 4.731 2.728 1.00 . A A . 19 LYS CA 1 1 8 3704 1 1 20 LYS CB C -7.341 4.140 3.902 1.00 . A A . 19 LYS CB 1 1 8 3705 1 1 20 LYS CD C -7.340 3.245 6.234 1.00 . A A . 19 LYS CD 1 1 8 3706 1 1 20 LYS CE C -6.513 2.949 7.471 1.00 . A A . 19 LYS CE 1 1 8 3707 1 1 20 LYS CG C -6.484 3.773 5.098 1.00 . A A . 19 LYS CG 1 1 8 3708 1 1 20 LYS H H -8.435 4.913 1.780 1.00 . A A . 19 LYS H 1 1 8 3709 1 1 20 LYS HA H -6.038 5.619 3.058 1.00 . A A . 19 LYS HA 1 1 8 3710 1 1 20 LYS HB2 H -8.079 4.858 4.224 1.00 . A A . 19 LYS HB2 1 1 8 3711 1 1 20 LYS HB3 H -7.847 3.246 3.566 1.00 . A A . 19 LYS HB3 1 1 8 3712 1 1 20 LYS HD2 H -8.085 3.982 6.482 1.00 . A A . 19 LYS HD2 1 1 8 3713 1 1 20 LYS HD3 H -7.825 2.335 5.910 1.00 . A A . 19 LYS HD3 1 1 8 3714 1 1 20 LYS HE2 H -5.784 2.190 7.230 1.00 . A A . 19 LYS HE2 1 1 8 3715 1 1 20 LYS HE3 H -6.005 3.852 7.774 1.00 . A A . 19 LYS HE3 1 1 8 3716 1 1 20 LYS HG2 H -5.780 3.010 4.803 1.00 . A A . 19 LYS HG2 1 1 8 3717 1 1 20 LYS HG3 H -5.950 4.650 5.435 1.00 . A A . 19 LYS HG3 1 1 8 3718 1 1 20 LYS HZ1 H -8.061 3.195 8.849 1.00 . A A . 19 LYS HZ1 1 1 8 3719 1 1 20 LYS HZ2 H -6.773 2.264 9.427 1.00 . A A . 19 LYS HZ2 1 1 8 3720 1 1 20 LYS HZ3 H -7.864 1.602 8.318 1.00 . A A . 19 LYS HZ3 1 1 8 3721 1 1 20 LYS N N -7.482 5.115 1.671 1.00 . A A . 19 LYS N 1 1 8 3722 1 1 20 LYS NZ N -7.360 2.468 8.594 1.00 . A A . 19 LYS NZ 1 1 8 3723 1 1 20 LYS O O -4.362 3.756 2.556 1.00 . A A . 19 LYS O 1 1 8 3724 1 1 21 4PH C33 C -3.004 -2.826 -3.219 1.00 . A A . 20 4PH C33 1 1 8 3725 1 1 21 4PH H33 H -1.991 -2.466 -3.324 1.00 . A A . 20 4PH H33 1 1 8 3726 1 1 21 4PH H33A H -3.001 -3.791 -2.731 1.00 . A A . 20 4PH H33A 1 1 8 3727 1 1 21 4PH H33B H -3.450 -2.914 -4.202 1.00 . A A . 20 4PH H33B 1 1 8 3728 1 1 22 GLN C C -2.713 5.052 -1.180 1.00 . A A . 21 GLN C 1 1 8 3729 1 1 22 GLN CA C -3.778 4.283 -1.953 1.00 . A A . 21 GLN CA 1 1 8 3730 1 1 22 GLN CB C -4.612 5.251 -2.792 1.00 . A A . 21 GLN CB 1 1 8 3731 1 1 22 GLN CD C -4.663 3.851 -4.884 1.00 . A A . 21 GLN CD 1 1 8 3732 1 1 22 GLN CG C -5.483 4.559 -3.823 1.00 . A A . 21 GLN CG 1 1 8 3733 1 1 22 GLN H H -5.607 3.671 -1.066 1.00 . A A . 21 GLN H 1 1 8 3734 1 1 22 GLN HA H -3.287 3.587 -2.616 1.00 . A A . 21 GLN HA 1 1 8 3735 1 1 22 GLN HB2 H -5.251 5.822 -2.135 1.00 . A A . 21 GLN HB2 1 1 8 3736 1 1 22 GLN HB3 H -3.947 5.928 -3.309 1.00 . A A . 21 GLN HB3 1 1 8 3737 1 1 22 GLN HE21 H -4.612 2.189 -3.802 1.00 . A A . 21 GLN HE21 1 1 8 3738 1 1 22 GLN HE22 H -3.805 2.114 -5.324 1.00 . A A . 21 GLN HE22 1 1 8 3739 1 1 22 GLN HG2 H -6.102 3.831 -3.319 1.00 . A A . 21 GLN HG2 1 1 8 3740 1 1 22 GLN HG3 H -6.109 5.296 -4.304 1.00 . A A . 21 GLN HG3 1 1 8 3741 1 1 22 GLN N N -4.636 3.510 -1.055 1.00 . A A . 21 GLN N 1 1 8 3742 1 1 22 GLN NE2 N -4.323 2.595 -4.642 1.00 . A A . 21 GLN NE2 1 1 8 3743 1 1 22 GLN O O -1.588 5.215 -1.657 1.00 . A A . 21 GLN O 1 1 8 3744 1 1 22 GLN OE1 O -4.325 4.435 -5.912 1.00 . A A . 21 GLN OE1 1 1 8 3745 1 1 23 ALA C C -0.981 5.350 1.284 1.00 . A A . 22 ALA C 1 1 8 3746 1 1 23 ALA CA C -2.152 6.234 0.874 1.00 . A A . 22 ALA CA 1 1 8 3747 1 1 23 ALA CB C -2.885 6.747 2.102 1.00 . A A . 22 ALA CB 1 1 8 3748 1 1 23 ALA H H -3.991 5.354 0.326 1.00 . A A . 22 ALA H 1 1 8 3749 1 1 23 ALA HA H -1.778 7.084 0.325 1.00 . A A . 22 ALA HA 1 1 8 3750 1 1 23 ALA HB1 H -3.245 5.908 2.681 1.00 . A A . 22 ALA HB1 1 1 8 3751 1 1 23 ALA HB2 H -3.722 7.354 1.791 1.00 . A A . 22 ALA HB2 1 1 8 3752 1 1 23 ALA HB3 H -2.212 7.339 2.703 1.00 . A A . 22 ALA HB3 1 1 8 3753 1 1 23 ALA N N -3.073 5.508 0.014 1.00 . A A . 22 ALA N 1 1 8 3754 1 1 23 ALA O O 0.170 5.790 1.295 1.00 . A A . 22 ALA O 1 1 8 3755 1 1 24 ASP C C 0.648 2.831 0.799 1.00 . A A . 23 ASP C 1 1 8 3756 1 1 24 ASP CA C -0.245 3.142 1.989 1.00 . A A . 23 ASP CA 1 1 8 3757 1 1 24 ASP CB C -0.853 1.844 2.522 1.00 . A A . 23 ASP CB 1 1 8 3758 1 1 24 ASP CG C 0.185 0.950 3.172 1.00 . A A . 23 ASP CG 1 1 8 3759 1 1 24 ASP H H -2.221 3.815 1.597 1.00 . A A . 23 ASP H 1 1 8 3760 1 1 24 ASP HA H 0.356 3.597 2.765 1.00 . A A . 23 ASP HA 1 1 8 3761 1 1 24 ASP HB2 H -1.613 2.076 3.251 1.00 . A A . 23 ASP HB2 1 1 8 3762 1 1 24 ASP HB3 H -1.299 1.301 1.702 1.00 . A A . 23 ASP HB3 1 1 8 3763 1 1 24 ASP N N -1.281 4.099 1.609 1.00 . A A . 23 ASP N 1 1 8 3764 1 1 24 ASP O O 1.858 2.681 0.944 1.00 . A A . 23 ASP O 1 1 8 3765 1 1 24 ASP OD1 O 0.848 1.392 4.133 1.00 . A A . 23 ASP OD1 1 1 8 3766 1 1 24 ASP OD2 O 0.349 -0.200 2.716 1.00 . A A . 23 ASP OD2 1 1 8 3767 1 1 25 LEU C C 1.783 3.627 -1.874 1.00 . A A . 24 LEU C 1 1 8 3768 1 1 25 LEU CA C 0.793 2.505 -1.610 1.00 . A A . 24 LEU CA 1 1 8 3769 1 1 25 LEU CB C -0.139 2.344 -2.817 1.00 . A A . 24 LEU CB 1 1 8 3770 1 1 25 LEU CD1 C 0.438 -0.018 -3.466 1.00 . A A . 24 LEU CD1 1 1 8 3771 1 1 25 LEU CD2 C -1.389 0.409 -1.829 1.00 . A A . 24 LEU CD2 1 1 8 3772 1 1 25 LEU CG C -0.682 0.931 -3.061 1.00 . A A . 24 LEU CG 1 1 8 3773 1 1 25 LEU H H -0.932 2.845 -0.425 1.00 . A A . 24 LEU H 1 1 8 3774 1 1 25 LEU HA H 1.343 1.590 -1.473 1.00 . A A . 24 LEU HA 1 1 8 3775 1 1 25 LEU HB2 H -0.982 3.007 -2.680 1.00 . A A . 24 LEU HB2 1 1 8 3776 1 1 25 LEU HB3 H 0.399 2.654 -3.701 1.00 . A A . 24 LEU HB3 1 1 8 3777 1 1 25 LEU HD11 H 0.928 0.361 -4.351 1.00 . A A . 24 LEU HD11 1 1 8 3778 1 1 25 LEU HD12 H 0.022 -0.993 -3.675 1.00 . A A . 24 LEU HD12 1 1 8 3779 1 1 25 LEU HD13 H 1.155 -0.097 -2.662 1.00 . A A . 24 LEU HD13 1 1 8 3780 1 1 25 LEU HD21 H -2.222 1.054 -1.593 1.00 . A A . 24 LEU HD21 1 1 8 3781 1 1 25 LEU HD22 H -0.698 0.394 -1.000 1.00 . A A . 24 LEU HD22 1 1 8 3782 1 1 25 LEU HD23 H -1.751 -0.592 -2.017 1.00 . A A . 24 LEU HD23 1 1 8 3783 1 1 25 LEU HG H -1.399 0.965 -3.869 1.00 . A A . 24 LEU HG 1 1 8 3784 1 1 25 LEU N N 0.044 2.748 -0.382 1.00 . A A . 24 LEU N 1 1 8 3785 1 1 25 LEU O O 2.873 3.391 -2.387 1.00 . A A . 24 LEU O 1 1 8 3786 1 1 26 ALA C C 3.522 5.838 -0.800 1.00 . A A . 25 ALA C 1 1 8 3787 1 1 26 ALA CA C 2.286 5.991 -1.680 1.00 . A A . 25 ALA CA 1 1 8 3788 1 1 26 ALA CB C 1.546 7.276 -1.349 1.00 . A A . 25 ALA CB 1 1 8 3789 1 1 26 ALA H H 0.506 4.980 -1.140 1.00 . A A . 25 ALA H 1 1 8 3790 1 1 26 ALA HA H 2.597 6.032 -2.715 1.00 . A A . 25 ALA HA 1 1 8 3791 1 1 26 ALA HB1 H 1.233 7.253 -0.316 1.00 . A A . 25 ALA HB1 1 1 8 3792 1 1 26 ALA HB2 H 0.678 7.366 -1.985 1.00 . A A . 25 ALA HB2 1 1 8 3793 1 1 26 ALA HB3 H 2.200 8.121 -1.510 1.00 . A A . 25 ALA HB3 1 1 8 3794 1 1 26 ALA N N 1.404 4.846 -1.519 1.00 . A A . 25 ALA N 1 1 8 3795 1 1 26 ALA O O 4.641 6.113 -1.233 1.00 . A A . 25 ALA O 1 1 8 3796 1 1 27 LYS C C 5.225 3.934 0.924 1.00 . A A . 26 LYS C 1 1 8 3797 1 1 27 LYS CA C 4.407 5.147 1.354 1.00 . A A . 26 LYS CA 1 1 8 3798 1 1 27 LYS CB C 3.874 4.951 2.776 1.00 . A A . 26 LYS CB 1 1 8 3799 1 1 27 LYS CD C 2.620 5.929 4.732 1.00 . A A . 26 LYS CD 1 1 8 3800 1 1 27 LYS CE C 3.672 5.510 5.750 1.00 . A A . 26 LYS CE 1 1 8 3801 1 1 27 LYS CG C 3.222 6.196 3.359 1.00 . A A . 26 LYS CG 1 1 8 3802 1 1 27 LYS H H 2.392 5.186 0.713 1.00 . A A . 26 LYS H 1 1 8 3803 1 1 27 LYS HA H 5.043 6.018 1.334 1.00 . A A . 26 LYS HA 1 1 8 3804 1 1 27 LYS HB2 H 3.141 4.158 2.768 1.00 . A A . 26 LYS HB2 1 1 8 3805 1 1 27 LYS HB3 H 4.694 4.665 3.416 1.00 . A A . 26 LYS HB3 1 1 8 3806 1 1 27 LYS HD2 H 2.139 6.830 5.082 1.00 . A A . 26 LYS HD2 1 1 8 3807 1 1 27 LYS HD3 H 1.887 5.141 4.642 1.00 . A A . 26 LYS HD3 1 1 8 3808 1 1 27 LYS HE2 H 3.179 5.274 6.681 1.00 . A A . 26 LYS HE2 1 1 8 3809 1 1 27 LYS HE3 H 4.180 4.631 5.383 1.00 . A A . 26 LYS HE3 1 1 8 3810 1 1 27 LYS HG2 H 3.967 6.973 3.450 1.00 . A A . 26 LYS HG2 1 1 8 3811 1 1 27 LYS HG3 H 2.439 6.523 2.691 1.00 . A A . 26 LYS HG3 1 1 8 3812 1 1 27 LYS HZ1 H 5.149 6.842 5.106 1.00 . A A . 26 LYS HZ1 1 1 8 3813 1 1 27 LYS HZ2 H 5.391 6.253 6.669 1.00 . A A . 26 LYS HZ2 1 1 8 3814 1 1 27 LYS HZ3 H 4.210 7.425 6.386 1.00 . A A . 26 LYS HZ3 1 1 8 3815 1 1 27 LYS N N 3.310 5.377 0.425 1.00 . A A . 26 LYS N 1 1 8 3816 1 1 27 LYS NZ N 4.674 6.582 5.994 1.00 . A A . 26 LYS NZ 1 1 8 3817 1 1 27 LYS O O 6.455 3.970 0.927 1.00 . A A . 26 LYS O 1 1 8 3818 1 1 28 4PH C33 C 6.226 -3.946 -2.940 1.00 . A A . 27 4PH C33 1 1 8 3819 1 1 28 4PH H33 H 5.483 -4.335 -3.619 1.00 . A A . 27 4PH H33 1 1 8 3820 1 1 28 4PH H33A H 7.102 -3.642 -3.491 1.00 . A A . 27 4PH H33A 1 1 8 3821 1 1 28 4PH H33B H 6.490 -4.714 -2.226 1.00 . A A . 27 4PH H33B 1 1 8 3822 1 1 29 GLN C C 7.501 3.575 -3.163 1.00 . A A . 28 GLN C 1 1 8 3823 1 1 29 GLN CA C 6.256 2.722 -3.391 1.00 . A A . 28 GLN CA 1 1 8 3824 1 1 29 GLN CB C 5.366 3.384 -4.450 1.00 . A A . 28 GLN CB 1 1 8 3825 1 1 29 GLN CD C 3.381 3.188 -6.006 1.00 . A A . 28 GLN CD 1 1 8 3826 1 1 29 GLN CG C 4.266 2.479 -4.997 1.00 . A A . 28 GLN CG 1 1 8 3827 1 1 29 GLN H H 4.599 2.850 -2.066 1.00 . A A . 28 GLN H 1 1 8 3828 1 1 29 GLN HA H 6.567 1.754 -3.752 1.00 . A A . 28 GLN HA 1 1 8 3829 1 1 29 GLN HB2 H 4.897 4.257 -4.015 1.00 . A A . 28 GLN HB2 1 1 8 3830 1 1 29 GLN HB3 H 5.989 3.698 -5.277 1.00 . A A . 28 GLN HB3 1 1 8 3831 1 1 29 GLN HE21 H 2.182 3.812 -4.557 1.00 . A A . 28 GLN HE21 1 1 8 3832 1 1 29 GLN HE22 H 1.734 4.289 -6.153 1.00 . A A . 28 GLN HE22 1 1 8 3833 1 1 29 GLN HG2 H 4.720 1.625 -5.477 1.00 . A A . 28 GLN HG2 1 1 8 3834 1 1 29 GLN HG3 H 3.651 2.140 -4.174 1.00 . A A . 28 GLN HG3 1 1 8 3835 1 1 29 GLN N N 5.519 2.510 -2.145 1.00 . A A . 28 GLN N 1 1 8 3836 1 1 29 GLN NE2 N 2.328 3.828 -5.523 1.00 . A A . 28 GLN NE2 1 1 8 3837 1 1 29 GLN O O 8.534 3.363 -3.801 1.00 . A A . 28 GLN O 1 1 8 3838 1 1 29 GLN OE1 O 3.647 3.165 -7.208 1.00 . A A . 28 GLN OE1 1 1 8 3839 1 1 30 LYS C C 9.568 4.779 -1.098 1.00 . A A . 29 LYS C 1 1 8 3840 1 1 30 LYS CA C 8.517 5.432 -1.996 1.00 . A A . 29 LYS CA 1 1 8 3841 1 1 30 LYS CB C 8.014 6.730 -1.365 1.00 . A A . 29 LYS CB 1 1 8 3842 1 1 30 LYS CD C 8.579 9.062 -0.602 1.00 . A A . 29 LYS CD 1 1 8 3843 1 1 30 LYS CE C 9.643 10.147 -0.596 1.00 . A A . 29 LYS CE 1 1 8 3844 1 1 30 LYS CG C 9.077 7.810 -1.301 1.00 . A A . 29 LYS CG 1 1 8 3845 1 1 30 LYS H H 6.578 4.631 -1.743 1.00 . A A . 29 LYS H 1 1 8 3846 1 1 30 LYS HA H 8.974 5.663 -2.946 1.00 . A A . 29 LYS HA 1 1 8 3847 1 1 30 LYS HB2 H 7.184 7.103 -1.947 1.00 . A A . 29 LYS HB2 1 1 8 3848 1 1 30 LYS HB3 H 7.676 6.525 -0.360 1.00 . A A . 29 LYS HB3 1 1 8 3849 1 1 30 LYS HD2 H 7.706 9.430 -1.120 1.00 . A A . 29 LYS HD2 1 1 8 3850 1 1 30 LYS HD3 H 8.321 8.816 0.417 1.00 . A A . 29 LYS HD3 1 1 8 3851 1 1 30 LYS HE2 H 9.841 10.444 -1.614 1.00 . A A . 29 LYS HE2 1 1 8 3852 1 1 30 LYS HE3 H 9.271 10.995 -0.041 1.00 . A A . 29 LYS HE3 1 1 8 3853 1 1 30 LYS HG2 H 9.928 7.427 -0.762 1.00 . A A . 29 LYS HG2 1 1 8 3854 1 1 30 LYS HG3 H 9.374 8.066 -2.308 1.00 . A A . 29 LYS HG3 1 1 8 3855 1 1 30 LYS HZ1 H 10.745 9.397 1.011 1.00 . A A . 29 LYS HZ1 1 1 8 3856 1 1 30 LYS HZ2 H 11.621 10.436 0.008 1.00 . A A . 29 LYS HZ2 1 1 8 3857 1 1 30 LYS HZ3 H 11.284 8.860 -0.499 1.00 . A A . 29 LYS HZ3 1 1 8 3858 1 1 30 LYS N N 7.409 4.528 -2.251 1.00 . A A . 29 LYS N 1 1 8 3859 1 1 30 LYS NZ N 10.910 9.679 0.024 1.00 . A A . 29 LYS NZ 1 1 8 3860 1 1 30 LYS O O 10.769 4.898 -1.349 1.00 . A A . 29 LYS O 1 1 8 3861 1 1 31 ASP C C 10.703 2.219 0.260 1.00 . A A . 30 ASP C 1 1 8 3862 1 1 31 ASP CA C 10.057 3.457 0.879 1.00 . A A . 30 ASP CA 1 1 8 3863 1 1 31 ASP CB C 9.367 3.094 2.200 1.00 . A A . 30 ASP CB 1 1 8 3864 1 1 31 ASP CG C 10.367 2.780 3.296 1.00 . A A . 30 ASP CG 1 1 8 3865 1 1 31 ASP H H 8.153 3.984 0.082 1.00 . A A . 30 ASP H 1 1 8 3866 1 1 31 ASP HA H 10.835 4.179 1.082 1.00 . A A . 30 ASP HA 1 1 8 3867 1 1 31 ASP HB2 H 8.756 3.923 2.525 1.00 . A A . 30 ASP HB2 1 1 8 3868 1 1 31 ASP HB3 H 8.740 2.227 2.050 1.00 . A A . 30 ASP HB3 1 1 8 3869 1 1 31 ASP N N 9.123 4.078 -0.060 1.00 . A A . 30 ASP N 1 1 8 3870 1 1 31 ASP O O 11.837 1.869 0.591 1.00 . A A . 30 ASP O 1 1 8 3871 1 1 31 ASP OD1 O 11.072 3.708 3.742 1.00 . A A . 30 ASP OD1 1 1 8 3872 1 1 31 ASP OD2 O 10.450 1.613 3.729 1.00 . A A . 30 ASP OD2 1 1 8 3873 1 1 32 LEU C C 11.707 0.870 -2.230 1.00 . A A . 31 LEU C 1 1 8 3874 1 1 32 LEU CA C 10.518 0.423 -1.385 1.00 . A A . 31 LEU CA 1 1 8 3875 1 1 32 LEU CB C 9.420 -0.192 -2.276 1.00 . A A . 31 LEU CB 1 1 8 3876 1 1 32 LEU CD1 C 10.781 -1.766 -3.723 1.00 . A A . 31 LEU CD1 1 1 8 3877 1 1 32 LEU CD2 C 9.852 -2.550 -1.544 1.00 . A A . 31 LEU CD2 1 1 8 3878 1 1 32 LEU CG C 9.627 -1.643 -2.740 1.00 . A A . 31 LEU CG 1 1 8 3879 1 1 32 LEU H H 9.059 1.853 -0.824 1.00 . A A . 31 LEU H 1 1 8 3880 1 1 32 LEU HA H 10.852 -0.308 -0.669 1.00 . A A . 31 LEU HA 1 1 8 3881 1 1 32 LEU HB2 H 8.487 -0.150 -1.731 1.00 . A A . 31 LEU HB2 1 1 8 3882 1 1 32 LEU HB3 H 9.323 0.426 -3.154 1.00 . A A . 31 LEU HB3 1 1 8 3883 1 1 32 LEU HD11 H 10.893 -2.799 -4.018 1.00 . A A . 31 LEU HD11 1 1 8 3884 1 1 32 LEU HD12 H 11.691 -1.425 -3.252 1.00 . A A . 31 LEU HD12 1 1 8 3885 1 1 32 LEU HD13 H 10.577 -1.162 -4.594 1.00 . A A . 31 LEU HD13 1 1 8 3886 1 1 32 LEU HD21 H 9.031 -2.437 -0.852 1.00 . A A . 31 LEU HD21 1 1 8 3887 1 1 32 LEU HD22 H 10.776 -2.281 -1.057 1.00 . A A . 31 LEU HD22 1 1 8 3888 1 1 32 LEU HD23 H 9.903 -3.575 -1.876 1.00 . A A . 31 LEU HD23 1 1 8 3889 1 1 32 LEU HG H 8.731 -1.979 -3.242 1.00 . A A . 31 LEU HG 1 1 8 3890 1 1 32 LEU N N 9.984 1.567 -0.651 1.00 . A A . 31 LEU N 1 1 8 3891 1 1 32 LEU O O 12.727 0.187 -2.299 1.00 . A A . 31 LEU O 1 1 8 3892 1 1 33 ALA C C 13.881 2.866 -2.837 1.00 . A A . 32 ALA C 1 1 8 3893 1 1 33 ALA CA C 12.628 2.607 -3.667 1.00 . A A . 32 ALA CA 1 1 8 3894 1 1 33 ALA CB C 12.145 3.897 -4.307 1.00 . A A . 32 ALA CB 1 1 8 3895 1 1 33 ALA H H 10.727 2.522 -2.758 1.00 . A A . 32 ALA H 1 1 8 3896 1 1 33 ALA HA H 12.862 1.907 -4.453 1.00 . A A . 32 ALA HA 1 1 8 3897 1 1 33 ALA HB1 H 11.898 4.608 -3.533 1.00 . A A . 32 ALA HB1 1 1 8 3898 1 1 33 ALA HB2 H 11.268 3.695 -4.904 1.00 . A A . 32 ALA HB2 1 1 8 3899 1 1 33 ALA HB3 H 12.923 4.302 -4.934 1.00 . A A . 32 ALA HB3 1 1 8 3900 1 1 33 ALA N N 11.569 2.035 -2.849 1.00 . A A . 32 ALA N 1 1 8 3901 1 1 33 ALA O O 15.004 2.772 -3.332 1.00 . A A . 32 ALA O 1 1 8 3902 1 1 34 ASP C C 15.443 2.146 -0.222 1.00 . A A . 33 ASP C 1 1 8 3903 1 1 34 ASP CA C 14.775 3.454 -0.647 1.00 . A A . 33 ASP CA 1 1 8 3904 1 1 34 ASP CB C 14.262 4.213 0.582 1.00 . A A . 33 ASP CB 1 1 8 3905 1 1 34 ASP CG C 15.368 4.590 1.545 1.00 . A A . 33 ASP CG 1 1 8 3906 1 1 34 ASP H H 12.751 3.283 -1.254 1.00 . A A . 33 ASP H 1 1 8 3907 1 1 34 ASP HA H 15.501 4.064 -1.160 1.00 . A A . 33 ASP HA 1 1 8 3908 1 1 34 ASP HB2 H 13.772 5.118 0.259 1.00 . A A . 33 ASP HB2 1 1 8 3909 1 1 34 ASP HB3 H 13.550 3.593 1.108 1.00 . A A . 33 ASP HB3 1 1 8 3910 1 1 34 ASP N N 13.674 3.198 -1.572 1.00 . A A . 33 ASP N 1 1 8 3911 1 1 34 ASP O O 16.636 2.114 0.086 1.00 . A A . 33 ASP O 1 1 8 3912 1 1 34 ASP OD1 O 16.094 5.569 1.267 1.00 . A A . 33 ASP OD1 1 1 8 3913 1 1 34 ASP OD2 O 15.498 3.930 2.593 1.00 . A A . 33 ASP OD2 1 1 8 3914 1 1 35 4PH C33 C 15.450 -6.315 2.364 1.00 . A A . 34 4PH C33 1 1 8 3915 1 1 35 4PH H33 H 15.497 -6.318 3.442 1.00 . A A . 34 4PH H33 1 1 8 3916 1 1 35 4PH H33A H 14.719 -7.035 2.028 1.00 . A A . 34 4PH H33A 1 1 8 3917 1 1 35 4PH H33B H 16.424 -6.571 1.966 1.00 . A A . 34 4PH H33B 1 1 8 3918 1 1 36 NH2 HN1 H 17.657 -0.516 -0.032 1.00 . A A . 35 NH2 HN1 1 1 8 3919 1 1 36 NH2 HN2 H 17.802 -1.303 -1.564 1.00 . A A . 35 NH2 HN2 1 1 8 3920 1 1 36 NH2 N N 17.269 -0.904 -0.845 1.00 . A A . 35 NH2 N 1 1 9 3921 1 1 1 ACE C C 13.144 -6.120 4.414 1.00 . A A . 0 ACE C 1 1 9 3922 1 1 1 ACE CH3 C 13.952 -4.863 4.248 1.00 . A A . 0 ACE CH3 1 1 9 3923 1 1 1 ACE H1 H 13.636 -4.146 4.996 1.00 . A A . 0 ACE H1 1 1 9 3924 1 1 1 ACE H2 H 13.784 -4.457 3.268 1.00 . A A . 0 ACE H2 1 1 9 3925 1 1 1 ACE H3 H 15.002 -5.110 4.361 1.00 . A A . 0 ACE H3 1 1 9 3926 1 1 1 ACE O O 12.571 -6.371 5.475 1.00 . A A . 0 ACE O 1 1 9 3927 1 1 2 PRO C C 10.975 -6.169 2.318 1.00 . A A . 1 PRO C 1 1 9 3928 1 1 2 PRO CA C 12.427 -6.583 2.103 1.00 . A A . 1 PRO CA 1 1 9 3929 1 1 2 PRO CB C 12.493 -7.875 1.280 1.00 . A A . 1 PRO CB 1 1 9 3930 1 1 2 PRO CD C 13.653 -8.299 3.328 1.00 . A A . 1 PRO CD 1 1 9 3931 1 1 2 PRO CG C 13.612 -8.660 1.869 1.00 . A A . 1 PRO CG 1 1 9 3932 1 1 2 PRO HA H 12.959 -5.795 1.592 1.00 . A A . 1 PRO HA 1 1 9 3933 1 1 2 PRO HB2 H 11.556 -8.412 1.366 1.00 . A A . 1 PRO HB2 1 1 9 3934 1 1 2 PRO HB3 H 12.703 -7.651 0.247 1.00 . A A . 1 PRO HB3 1 1 9 3935 1 1 2 PRO HD2 H 13.050 -8.983 3.908 1.00 . A A . 1 PRO HD2 1 1 9 3936 1 1 2 PRO HD3 H 14.672 -8.293 3.688 1.00 . A A . 1 PRO HD3 1 1 9 3937 1 1 2 PRO HG2 H 13.420 -9.719 1.744 1.00 . A A . 1 PRO HG2 1 1 9 3938 1 1 2 PRO HG3 H 14.543 -8.386 1.396 1.00 . A A . 1 PRO HG3 1 1 9 3939 1 1 2 PRO N N 13.081 -6.947 3.363 1.00 . A A . 1 PRO N 1 1 9 3940 1 1 2 PRO O O 10.171 -6.955 2.825 1.00 . A A . 1 PRO O 1 1 9 3941 1 1 3 PRO C C 8.283 -5.085 1.141 1.00 . A A . 2 PRO C 1 1 9 3942 1 1 3 PRO CA C 9.257 -4.427 2.114 1.00 . A A . 2 PRO CA 1 1 9 3943 1 1 3 PRO CB C 9.387 -2.927 1.828 1.00 . A A . 2 PRO CB 1 1 9 3944 1 1 3 PRO CD C 11.512 -3.928 1.327 1.00 . A A . 2 PRO CD 1 1 9 3945 1 1 3 PRO CG C 10.588 -2.795 0.961 1.00 . A A . 2 PRO CG 1 1 9 3946 1 1 3 PRO HA H 8.908 -4.578 3.127 1.00 . A A . 2 PRO HA 1 1 9 3947 1 1 3 PRO HB2 H 8.499 -2.573 1.316 1.00 . A A . 2 PRO HB2 1 1 9 3948 1 1 3 PRO HB3 H 9.532 -2.381 2.747 1.00 . A A . 2 PRO HB3 1 1 9 3949 1 1 3 PRO HD2 H 11.983 -4.328 0.441 1.00 . A A . 2 PRO HD2 1 1 9 3950 1 1 3 PRO HD3 H 12.259 -3.596 2.033 1.00 . A A . 2 PRO HD3 1 1 9 3951 1 1 3 PRO HG2 H 10.296 -2.866 -0.079 1.00 . A A . 2 PRO HG2 1 1 9 3952 1 1 3 PRO HG3 H 11.071 -1.848 1.149 1.00 . A A . 2 PRO HG3 1 1 9 3953 1 1 3 PRO N N 10.618 -4.930 1.944 1.00 . A A . 2 PRO N 1 1 9 3954 1 1 3 PRO O O 8.334 -4.846 -0.066 1.00 . A A . 2 PRO O 1 1 9 3955 1 1 4 THR C C 5.211 -5.755 0.625 1.00 . A A . 3 THR C 1 1 9 3956 1 1 4 THR CA C 6.439 -6.625 0.854 1.00 . A A . 3 THR CA 1 1 9 3957 1 1 4 THR CB C 6.020 -7.953 1.509 1.00 . A A . 3 THR CB 1 1 9 3958 1 1 4 THR CG2 C 7.052 -9.041 1.246 1.00 . A A . 3 THR CG2 1 1 9 3959 1 1 4 THR H H 7.429 -6.090 2.635 1.00 . A A . 3 THR H 1 1 9 3960 1 1 4 THR HA H 6.893 -6.846 -0.100 1.00 . A A . 3 THR HA 1 1 9 3961 1 1 4 THR HB H 5.077 -8.264 1.084 1.00 . A A . 3 THR HB 1 1 9 3962 1 1 4 THR HG1 H 5.738 -8.627 3.343 1.00 . A A . 3 THR HG1 1 1 9 3963 1 1 4 THR HG21 H 7.160 -9.182 0.181 1.00 . A A . 3 THR HG21 1 1 9 3964 1 1 4 THR HG22 H 6.723 -9.964 1.698 1.00 . A A . 3 THR HG22 1 1 9 3965 1 1 4 THR HG23 H 8.001 -8.750 1.669 1.00 . A A . 3 THR HG23 1 1 9 3966 1 1 4 THR N N 7.417 -5.931 1.668 1.00 . A A . 3 THR N 1 1 9 3967 1 1 4 THR O O 4.778 -5.025 1.521 1.00 . A A . 3 THR O 1 1 9 3968 1 1 4 THR OG1 O 5.856 -7.767 2.923 1.00 . A A . 3 THR OG1 1 1 9 3969 1 1 5 LYS C C 2.273 -5.463 -0.151 1.00 . A A . 4 LYS C 1 1 9 3970 1 1 5 LYS CA C 3.505 -5.025 -0.941 1.00 . A A . 4 LYS CA 1 1 9 3971 1 1 5 LYS CB C 3.231 -5.130 -2.449 1.00 . A A . 4 LYS CB 1 1 9 3972 1 1 5 LYS CD C 2.660 -6.631 -4.385 1.00 . A A . 4 LYS CD 1 1 9 3973 1 1 5 LYS CE C 2.168 -8.011 -4.789 1.00 . A A . 4 LYS CE 1 1 9 3974 1 1 5 LYS CG C 2.707 -6.485 -2.875 1.00 . A A . 4 LYS CG 1 1 9 3975 1 1 5 LYS H H 5.048 -6.447 -1.234 1.00 . A A . 4 LYS H 1 1 9 3976 1 1 5 LYS HA H 3.731 -4.001 -0.692 1.00 . A A . 4 LYS HA 1 1 9 3977 1 1 5 LYS HB2 H 2.502 -4.382 -2.726 1.00 . A A . 4 LYS HB2 1 1 9 3978 1 1 5 LYS HB3 H 4.149 -4.940 -2.987 1.00 . A A . 4 LYS HB3 1 1 9 3979 1 1 5 LYS HD2 H 1.993 -5.886 -4.790 1.00 . A A . 4 LYS HD2 1 1 9 3980 1 1 5 LYS HD3 H 3.654 -6.483 -4.782 1.00 . A A . 4 LYS HD3 1 1 9 3981 1 1 5 LYS HE2 H 1.144 -8.124 -4.467 1.00 . A A . 4 LYS HE2 1 1 9 3982 1 1 5 LYS HE3 H 2.218 -8.097 -5.865 1.00 . A A . 4 LYS HE3 1 1 9 3983 1 1 5 LYS HG2 H 3.353 -7.248 -2.472 1.00 . A A . 4 LYS HG2 1 1 9 3984 1 1 5 LYS HG3 H 1.709 -6.608 -2.478 1.00 . A A . 4 LYS HG3 1 1 9 3985 1 1 5 LYS HZ1 H 3.994 -8.950 -4.407 1.00 . A A . 4 LYS HZ1 1 1 9 3986 1 1 5 LYS HZ2 H 2.695 -10.020 -4.551 1.00 . A A . 4 LYS HZ2 1 1 9 3987 1 1 5 LYS HZ3 H 2.876 -9.095 -3.145 1.00 . A A . 4 LYS HZ3 1 1 9 3988 1 1 5 LYS N N 4.662 -5.831 -0.575 1.00 . A A . 4 LYS N 1 1 9 3989 1 1 5 LYS NZ N 2.990 -9.094 -4.180 1.00 . A A . 4 LYS NZ 1 1 9 3990 1 1 5 LYS O O 2.113 -6.647 0.165 1.00 . A A . 4 LYS O 1 1 9 3991 1 1 6 PRO C C -0.803 -5.625 0.032 1.00 . A A . 5 PRO C 1 1 9 3992 1 1 6 PRO CA C 0.146 -4.794 0.896 1.00 . A A . 5 PRO CA 1 1 9 3993 1 1 6 PRO CB C -0.443 -3.406 1.168 1.00 . A A . 5 PRO CB 1 1 9 3994 1 1 6 PRO CD C 1.624 -3.059 0.021 1.00 . A A . 5 PRO CD 1 1 9 3995 1 1 6 PRO CG C 0.263 -2.477 0.240 1.00 . A A . 5 PRO CG 1 1 9 3996 1 1 6 PRO HA H 0.311 -5.306 1.833 1.00 . A A . 5 PRO HA 1 1 9 3997 1 1 6 PRO HB2 H -1.504 -3.418 0.971 1.00 . A A . 5 PRO HB2 1 1 9 3998 1 1 6 PRO HB3 H -0.258 -3.118 2.189 1.00 . A A . 5 PRO HB3 1 1 9 3999 1 1 6 PRO HD2 H 1.963 -2.849 -0.985 1.00 . A A . 5 PRO HD2 1 1 9 4000 1 1 6 PRO HD3 H 2.325 -2.672 0.748 1.00 . A A . 5 PRO HD3 1 1 9 4001 1 1 6 PRO HG2 H -0.272 -2.415 -0.698 1.00 . A A . 5 PRO HG2 1 1 9 4002 1 1 6 PRO HG3 H 0.346 -1.500 0.690 1.00 . A A . 5 PRO HG3 1 1 9 4003 1 1 6 PRO N N 1.413 -4.505 0.215 1.00 . A A . 5 PRO N 1 1 9 4004 1 1 6 PRO O O -0.649 -5.695 -1.192 1.00 . A A . 5 PRO O 1 1 9 4005 1 1 7 THR C C -3.833 -6.294 -0.675 1.00 . A A . 6 THR C 1 1 9 4006 1 1 7 THR CA C -2.716 -7.118 -0.027 1.00 . A A . 6 THR CA 1 1 9 4007 1 1 7 THR CB C -3.315 -8.183 0.924 1.00 . A A . 6 THR CB 1 1 9 4008 1 1 7 THR CG2 C -4.185 -7.543 1.995 1.00 . A A . 6 THR CG2 1 1 9 4009 1 1 7 THR H H -1.860 -6.143 1.643 1.00 . A A . 6 THR H 1 1 9 4010 1 1 7 THR HA H -2.174 -7.633 -0.807 1.00 . A A . 6 THR HA 1 1 9 4011 1 1 7 THR HB H -2.500 -8.699 1.411 1.00 . A A . 6 THR HB 1 1 9 4012 1 1 7 THR HG1 H -5.009 -9.095 0.470 1.00 . A A . 6 THR HG1 1 1 9 4013 1 1 7 THR HG21 H -3.598 -6.835 2.560 1.00 . A A . 6 THR HG21 1 1 9 4014 1 1 7 THR HG22 H -4.562 -8.307 2.657 1.00 . A A . 6 THR HG22 1 1 9 4015 1 1 7 THR HG23 H -5.011 -7.031 1.526 1.00 . A A . 6 THR HG23 1 1 9 4016 1 1 7 THR N N -1.774 -6.259 0.672 1.00 . A A . 6 THR N 1 1 9 4017 1 1 7 THR O O -4.305 -5.306 -0.107 1.00 . A A . 6 THR O 1 1 9 4018 1 1 7 THR OG1 O -4.087 -9.139 0.185 1.00 . A A . 6 THR OG1 1 1 9 4019 1 1 8 LYS C C -6.628 -6.171 -1.988 1.00 . A A . 7 LYS C 1 1 9 4020 1 1 8 LYS CA C -5.259 -5.997 -2.636 1.00 . A A . 7 LYS CA 1 1 9 4021 1 1 8 LYS CB C -5.308 -6.513 -4.080 1.00 . A A . 7 LYS CB 1 1 9 4022 1 1 8 LYS CD C -3.600 -4.901 -5.044 1.00 . A A . 7 LYS CD 1 1 9 4023 1 1 8 LYS CE C -4.643 -4.104 -5.817 1.00 . A A . 7 LYS CE 1 1 9 4024 1 1 8 LYS CG C -4.003 -6.360 -4.853 1.00 . A A . 7 LYS CG 1 1 9 4025 1 1 8 LYS H H -3.816 -7.502 -2.261 1.00 . A A . 7 LYS H 1 1 9 4026 1 1 8 LYS HA H -5.012 -4.949 -2.647 1.00 . A A . 7 LYS HA 1 1 9 4027 1 1 8 LYS HB2 H -5.565 -7.560 -4.061 1.00 . A A . 7 LYS HB2 1 1 9 4028 1 1 8 LYS HB3 H -6.079 -5.978 -4.612 1.00 . A A . 7 LYS HB3 1 1 9 4029 1 1 8 LYS HD2 H -3.463 -4.445 -4.077 1.00 . A A . 7 LYS HD2 1 1 9 4030 1 1 8 LYS HD3 H -2.666 -4.873 -5.589 1.00 . A A . 7 LYS HD3 1 1 9 4031 1 1 8 LYS HE2 H -5.584 -4.161 -5.292 1.00 . A A . 7 LYS HE2 1 1 9 4032 1 1 8 LYS HE3 H -4.323 -3.073 -5.867 1.00 . A A . 7 LYS HE3 1 1 9 4033 1 1 8 LYS HG2 H -3.220 -6.866 -4.310 1.00 . A A . 7 LYS HG2 1 1 9 4034 1 1 8 LYS HG3 H -4.121 -6.821 -5.824 1.00 . A A . 7 LYS HG3 1 1 9 4035 1 1 8 LYS HZ1 H -5.469 -3.992 -7.731 1.00 . A A . 7 LYS HZ1 1 1 9 4036 1 1 8 LYS HZ2 H -5.241 -5.572 -7.178 1.00 . A A . 7 LYS HZ2 1 1 9 4037 1 1 8 LYS HZ3 H -3.915 -4.659 -7.694 1.00 . A A . 7 LYS HZ3 1 1 9 4038 1 1 8 LYS N N -4.227 -6.699 -1.877 1.00 . A A . 7 LYS N 1 1 9 4039 1 1 8 LYS NZ N -4.831 -4.618 -7.200 1.00 . A A . 7 LYS NZ 1 1 9 4040 1 1 8 LYS O O -7.109 -7.294 -1.834 1.00 . A A . 7 LYS O 1 1 9 4041 1 1 9 PRO C C -9.644 -5.687 -1.956 1.00 . A A . 8 PRO C 1 1 9 4042 1 1 9 PRO CA C -8.613 -5.080 -1.010 1.00 . A A . 8 PRO CA 1 1 9 4043 1 1 9 PRO CB C -8.925 -3.598 -0.764 1.00 . A A . 8 PRO CB 1 1 9 4044 1 1 9 PRO CD C -6.724 -3.689 -1.669 1.00 . A A . 8 PRO CD 1 1 9 4045 1 1 9 PRO CG C -7.607 -2.915 -0.730 1.00 . A A . 8 PRO CG 1 1 9 4046 1 1 9 PRO HA H -8.629 -5.617 -0.074 1.00 . A A . 8 PRO HA 1 1 9 4047 1 1 9 PRO HB2 H -9.536 -3.212 -1.572 1.00 . A A . 8 PRO HB2 1 1 9 4048 1 1 9 PRO HB3 H -9.435 -3.477 0.181 1.00 . A A . 8 PRO HB3 1 1 9 4049 1 1 9 PRO HD2 H -6.801 -3.298 -2.674 1.00 . A A . 8 PRO HD2 1 1 9 4050 1 1 9 PRO HD3 H -5.697 -3.663 -1.327 1.00 . A A . 8 PRO HD3 1 1 9 4051 1 1 9 PRO HG2 H -7.715 -1.892 -1.068 1.00 . A A . 8 PRO HG2 1 1 9 4052 1 1 9 PRO HG3 H -7.196 -2.940 0.269 1.00 . A A . 8 PRO HG3 1 1 9 4053 1 1 9 PRO N N -7.268 -5.057 -1.594 1.00 . A A . 8 PRO N 1 1 9 4054 1 1 9 PRO O O -9.685 -5.354 -3.144 1.00 . A A . 8 PRO O 1 1 9 4055 1 1 10 GLY C C -12.846 -6.567 -2.052 1.00 . A A . 9 GLY C 1 1 9 4056 1 1 10 GLY CA C -11.490 -7.208 -2.244 1.00 . A A . 9 GLY CA 1 1 9 4057 1 1 10 GLY H H -10.391 -6.809 -0.479 1.00 . A A . 9 GLY H 1 1 9 4058 1 1 10 GLY HA2 H -11.208 -7.127 -3.280 1.00 . A A . 9 GLY HA2 1 1 9 4059 1 1 10 GLY HA3 H -11.557 -8.253 -1.979 1.00 . A A . 9 GLY HA3 1 1 9 4060 1 1 10 GLY N N -10.471 -6.579 -1.431 1.00 . A A . 9 GLY N 1 1 9 4061 1 1 10 GLY O O -13.336 -5.865 -2.936 1.00 . A A . 9 GLY O 1 1 9 4062 1 1 11 ASP C C -14.519 -4.990 0.356 1.00 . A A . 10 ASP C 1 1 9 4063 1 1 11 ASP CA C -14.727 -6.185 -0.558 1.00 . A A . 10 ASP CA 1 1 9 4064 1 1 11 ASP CB C -15.662 -7.197 0.100 1.00 . A A . 10 ASP CB 1 1 9 4065 1 1 11 ASP CG C -16.109 -8.276 -0.863 1.00 . A A . 10 ASP CG 1 1 9 4066 1 1 11 ASP H H -13.014 -7.390 -0.242 1.00 . A A . 10 ASP H 1 1 9 4067 1 1 11 ASP HA H -15.176 -5.843 -1.478 1.00 . A A . 10 ASP HA 1 1 9 4068 1 1 11 ASP HB2 H -15.152 -7.667 0.928 1.00 . A A . 10 ASP HB2 1 1 9 4069 1 1 11 ASP HB3 H -16.536 -6.682 0.465 1.00 . A A . 10 ASP HB3 1 1 9 4070 1 1 11 ASP N N -13.444 -6.794 -0.892 1.00 . A A . 10 ASP N 1 1 9 4071 1 1 11 ASP O O -15.404 -4.152 0.523 1.00 . A A . 10 ASP O 1 1 9 4072 1 1 11 ASP OD1 O -16.898 -7.967 -1.780 1.00 . A A . 10 ASP OD1 1 1 9 4073 1 1 11 ASP OD2 O -15.681 -9.438 -0.701 1.00 . A A . 10 ASP OD2 1 1 9 4074 1 1 12 ASN C C -12.416 -2.653 0.840 1.00 . A A . 11 ASN C 1 1 9 4075 1 1 12 ASN CA C -12.942 -3.763 1.746 1.00 . A A . 11 ASN CA 1 1 9 4076 1 1 12 ASN CB C -11.890 -4.142 2.806 1.00 . A A . 11 ASN CB 1 1 9 4077 1 1 12 ASN CG C -10.613 -4.722 2.217 1.00 . A A . 11 ASN CG 1 1 9 4078 1 1 12 ASN H H -12.702 -5.665 0.845 1.00 . A A . 11 ASN H 1 1 9 4079 1 1 12 ASN HA H -13.828 -3.404 2.246 1.00 . A A . 11 ASN HA 1 1 9 4080 1 1 12 ASN HB2 H -11.631 -3.258 3.368 1.00 . A A . 11 ASN HB2 1 1 9 4081 1 1 12 ASN HB3 H -12.319 -4.872 3.478 1.00 . A A . 11 ASN HB3 1 1 9 4082 1 1 12 ASN HD21 H -9.529 -3.944 3.690 1.00 . A A . 11 ASN HD21 1 1 9 4083 1 1 12 ASN HD22 H -8.648 -4.845 2.510 1.00 . A A . 11 ASN HD22 1 1 9 4084 1 1 12 ASN N N -13.335 -4.917 0.945 1.00 . A A . 11 ASN N 1 1 9 4085 1 1 12 ASN ND2 N -9.485 -4.477 2.872 1.00 . A A . 11 ASN ND2 1 1 9 4086 1 1 12 ASN O O -11.881 -1.651 1.307 1.00 . A A . 11 ASN O 1 1 9 4087 1 1 12 ASN OD1 O -10.637 -5.390 1.188 1.00 . A A . 11 ASN OD1 1 1 9 4088 1 1 13 ALA C C -13.093 -0.746 -1.665 1.00 . A A . 12 ALA C 1 1 9 4089 1 1 13 ALA CA C -12.118 -1.906 -1.472 1.00 . A A . 12 ALA CA 1 1 9 4090 1 1 13 ALA CB C -11.896 -2.631 -2.790 1.00 . A A . 12 ALA CB 1 1 9 4091 1 1 13 ALA H H -13.059 -3.652 -0.762 1.00 . A A . 12 ALA H 1 1 9 4092 1 1 13 ALA HA H -11.170 -1.513 -1.142 1.00 . A A . 12 ALA HA 1 1 9 4093 1 1 13 ALA HB1 H -11.244 -3.477 -2.631 1.00 . A A . 12 ALA HB1 1 1 9 4094 1 1 13 ALA HB2 H -11.442 -1.954 -3.501 1.00 . A A . 12 ALA HB2 1 1 9 4095 1 1 13 ALA HB3 H -12.845 -2.974 -3.176 1.00 . A A . 12 ALA HB3 1 1 9 4096 1 1 13 ALA N N -12.589 -2.847 -0.465 1.00 . A A . 12 ALA N 1 1 9 4097 1 1 13 ALA O O -13.125 -0.121 -2.727 1.00 . A A . 12 ALA O 1 1 9 4098 1 1 14 THR C C -14.029 1.970 -0.863 1.00 . A A . 13 THR C 1 1 9 4099 1 1 14 THR CA C -14.799 0.666 -0.665 1.00 . A A . 13 THR CA 1 1 9 4100 1 1 14 THR CB C -15.621 0.726 0.632 1.00 . A A . 13 THR CB 1 1 9 4101 1 1 14 THR CG2 C -16.852 -0.157 0.539 1.00 . A A . 13 THR CG2 1 1 9 4102 1 1 14 THR H H -13.838 -1.019 0.163 1.00 . A A . 13 THR H 1 1 9 4103 1 1 14 THR HA H -15.478 0.531 -1.492 1.00 . A A . 13 THR HA 1 1 9 4104 1 1 14 THR HB H -15.939 1.747 0.788 1.00 . A A . 13 THR HB 1 1 9 4105 1 1 14 THR HG1 H -14.586 1.075 2.282 1.00 . A A . 13 THR HG1 1 1 9 4106 1 1 14 THR HG21 H -17.409 -0.097 1.463 1.00 . A A . 13 THR HG21 1 1 9 4107 1 1 14 THR HG22 H -16.548 -1.180 0.367 1.00 . A A . 13 THR HG22 1 1 9 4108 1 1 14 THR HG23 H -17.473 0.177 -0.278 1.00 . A A . 13 THR HG23 1 1 9 4109 1 1 14 THR N N -13.884 -0.464 -0.641 1.00 . A A . 13 THR N 1 1 9 4110 1 1 14 THR O O -12.993 2.171 -0.235 1.00 . A A . 13 THR O 1 1 9 4111 1 1 14 THR OG1 O -14.812 0.308 1.743 1.00 . A A . 13 THR OG1 1 1 9 4112 1 1 15 PRO C C -13.115 4.812 -1.010 1.00 . A A . 14 PRO C 1 1 9 4113 1 1 15 PRO CA C -13.850 4.100 -2.149 1.00 . A A . 14 PRO CA 1 1 9 4114 1 1 15 PRO CB C -15.008 4.957 -2.652 1.00 . A A . 14 PRO CB 1 1 9 4115 1 1 15 PRO CD C -15.808 2.689 -2.472 1.00 . A A . 14 PRO CD 1 1 9 4116 1 1 15 PRO CG C -15.984 3.990 -3.227 1.00 . A A . 14 PRO CG 1 1 9 4117 1 1 15 PRO HA H -13.157 3.925 -2.957 1.00 . A A . 14 PRO HA 1 1 9 4118 1 1 15 PRO HB2 H -15.443 5.506 -1.827 1.00 . A A . 14 PRO HB2 1 1 9 4119 1 1 15 PRO HB3 H -14.667 5.636 -3.416 1.00 . A A . 14 PRO HB3 1 1 9 4120 1 1 15 PRO HD2 H -16.620 2.542 -1.776 1.00 . A A . 14 PRO HD2 1 1 9 4121 1 1 15 PRO HD3 H -15.755 1.858 -3.161 1.00 . A A . 14 PRO HD3 1 1 9 4122 1 1 15 PRO HG2 H -16.991 4.371 -3.092 1.00 . A A . 14 PRO HG2 1 1 9 4123 1 1 15 PRO HG3 H -15.776 3.839 -4.277 1.00 . A A . 14 PRO HG3 1 1 9 4124 1 1 15 PRO N N -14.526 2.852 -1.755 1.00 . A A . 14 PRO N 1 1 9 4125 1 1 15 PRO O O -11.976 5.253 -1.180 1.00 . A A . 14 PRO O 1 1 9 4126 1 1 16 GLU C C -11.928 4.875 1.808 1.00 . A A . 15 GLU C 1 1 9 4127 1 1 16 GLU CA C -13.166 5.606 1.289 1.00 . A A . 15 GLU CA 1 1 9 4128 1 1 16 GLU CB C -14.187 5.757 2.415 1.00 . A A . 15 GLU CB 1 1 9 4129 1 1 16 GLU CD C -16.325 6.810 3.218 1.00 . A A . 15 GLU CD 1 1 9 4130 1 1 16 GLU CG C -15.379 6.620 2.052 1.00 . A A . 15 GLU CG 1 1 9 4131 1 1 16 GLU H H -14.644 4.502 0.239 1.00 . A A . 15 GLU H 1 1 9 4132 1 1 16 GLU HA H -12.870 6.587 0.954 1.00 . A A . 15 GLU HA 1 1 9 4133 1 1 16 GLU HB2 H -14.554 4.778 2.682 1.00 . A A . 15 GLU HB2 1 1 9 4134 1 1 16 GLU HB3 H -13.699 6.195 3.272 1.00 . A A . 15 GLU HB3 1 1 9 4135 1 1 16 GLU HG2 H -15.026 7.590 1.733 1.00 . A A . 15 GLU HG2 1 1 9 4136 1 1 16 GLU HG3 H -15.915 6.149 1.245 1.00 . A A . 15 GLU HG3 1 1 9 4137 1 1 16 GLU N N -13.756 4.910 0.149 1.00 . A A . 15 GLU N 1 1 9 4138 1 1 16 GLU O O -10.881 5.484 2.029 1.00 . A A . 15 GLU O 1 1 9 4139 1 1 16 GLU OE1 O -17.087 5.869 3.534 1.00 . A A . 15 GLU OE1 1 1 9 4140 1 1 16 GLU OE2 O -16.307 7.896 3.829 1.00 . A A . 15 GLU OE2 1 1 9 4141 1 1 17 LYS C C -9.913 2.481 1.453 1.00 . A A . 16 LYS C 1 1 9 4142 1 1 17 LYS CA C -10.954 2.774 2.529 1.00 . A A . 16 LYS CA 1 1 9 4143 1 1 17 LYS CB C -11.486 1.471 3.135 1.00 . A A . 16 LYS CB 1 1 9 4144 1 1 17 LYS CD C -10.948 -0.596 4.470 1.00 . A A . 16 LYS CD 1 1 9 4145 1 1 17 LYS CE C -9.834 -1.528 4.922 1.00 . A A . 16 LYS CE 1 1 9 4146 1 1 17 LYS CG C -10.392 0.582 3.692 1.00 . A A . 16 LYS CG 1 1 9 4147 1 1 17 LYS H H -12.875 3.124 1.726 1.00 . A A . 16 LYS H 1 1 9 4148 1 1 17 LYS HA H -10.488 3.356 3.309 1.00 . A A . 16 LYS HA 1 1 9 4149 1 1 17 LYS HB2 H -12.171 1.711 3.937 1.00 . A A . 16 LYS HB2 1 1 9 4150 1 1 17 LYS HB3 H -12.016 0.919 2.369 1.00 . A A . 16 LYS HB3 1 1 9 4151 1 1 17 LYS HD2 H -11.473 -0.227 5.339 1.00 . A A . 16 LYS HD2 1 1 9 4152 1 1 17 LYS HD3 H -11.631 -1.144 3.838 1.00 . A A . 16 LYS HD3 1 1 9 4153 1 1 17 LYS HE2 H -10.266 -2.332 5.496 1.00 . A A . 16 LYS HE2 1 1 9 4154 1 1 17 LYS HE3 H -9.347 -1.935 4.048 1.00 . A A . 16 LYS HE3 1 1 9 4155 1 1 17 LYS HG2 H -9.799 0.205 2.872 1.00 . A A . 16 LYS HG2 1 1 9 4156 1 1 17 LYS HG3 H -9.767 1.171 4.346 1.00 . A A . 16 LYS HG3 1 1 9 4157 1 1 17 LYS HZ1 H -8.032 -1.474 5.978 1.00 . A A . 16 LYS HZ1 1 1 9 4158 1 1 17 LYS HZ2 H -9.245 -0.508 6.649 1.00 . A A . 16 LYS HZ2 1 1 9 4159 1 1 17 LYS HZ3 H -8.442 -0.004 5.250 1.00 . A A . 16 LYS HZ3 1 1 9 4160 1 1 17 LYS N N -12.045 3.568 1.985 1.00 . A A . 16 LYS N 1 1 9 4161 1 1 17 LYS NZ N -8.818 -0.831 5.758 1.00 . A A . 16 LYS NZ 1 1 9 4162 1 1 17 LYS O O -8.732 2.298 1.746 1.00 . A A . 16 LYS O 1 1 9 4163 1 1 18 LEU C C -8.502 3.425 -1.041 1.00 . A A . 17 LEU C 1 1 9 4164 1 1 18 LEU CA C -9.465 2.250 -0.924 1.00 . A A . 17 LEU CA 1 1 9 4165 1 1 18 LEU CB C -10.272 2.091 -2.212 1.00 . A A . 17 LEU CB 1 1 9 4166 1 1 18 LEU CD1 C -8.722 0.422 -3.244 1.00 . A A . 17 LEU CD1 1 1 9 4167 1 1 18 LEU CD2 C -10.387 1.625 -4.655 1.00 . A A . 17 LEU CD2 1 1 9 4168 1 1 18 LEU CG C -9.466 1.729 -3.456 1.00 . A A . 17 LEU CG 1 1 9 4169 1 1 18 LEU H H -11.320 2.574 0.039 1.00 . A A . 17 LEU H 1 1 9 4170 1 1 18 LEU HA H -8.904 1.348 -0.744 1.00 . A A . 17 LEU HA 1 1 9 4171 1 1 18 LEU HB2 H -11.013 1.318 -2.056 1.00 . A A . 17 LEU HB2 1 1 9 4172 1 1 18 LEU HB3 H -10.785 3.021 -2.406 1.00 . A A . 17 LEU HB3 1 1 9 4173 1 1 18 LEU HD11 H -8.176 0.168 -4.141 1.00 . A A . 17 LEU HD11 1 1 9 4174 1 1 18 LEU HD12 H -9.431 -0.362 -3.019 1.00 . A A . 17 LEU HD12 1 1 9 4175 1 1 18 LEU HD13 H -8.033 0.530 -2.422 1.00 . A A . 17 LEU HD13 1 1 9 4176 1 1 18 LEU HD21 H -9.812 1.383 -5.534 1.00 . A A . 17 LEU HD21 1 1 9 4177 1 1 18 LEU HD22 H -10.895 2.567 -4.802 1.00 . A A . 17 LEU HD22 1 1 9 4178 1 1 18 LEU HD23 H -11.116 0.847 -4.475 1.00 . A A . 17 LEU HD23 1 1 9 4179 1 1 18 LEU HG H -8.740 2.504 -3.652 1.00 . A A . 17 LEU HG 1 1 9 4180 1 1 18 LEU N N -10.358 2.456 0.205 1.00 . A A . 17 LEU N 1 1 9 4181 1 1 18 LEU O O -7.341 3.263 -1.421 1.00 . A A . 17 LEU O 1 1 9 4182 1 1 19 ALA C C -7.143 5.710 0.452 1.00 . A A . 18 ALA C 1 1 9 4183 1 1 19 ALA CA C -8.178 5.804 -0.662 1.00 . A A . 18 ALA CA 1 1 9 4184 1 1 19 ALA CB C -9.060 7.023 -0.479 1.00 . A A . 18 ALA CB 1 1 9 4185 1 1 19 ALA H H -9.939 4.668 -0.438 1.00 . A A . 18 ALA H 1 1 9 4186 1 1 19 ALA HA H -7.671 5.887 -1.610 1.00 . A A . 18 ALA HA 1 1 9 4187 1 1 19 ALA HB1 H -9.731 7.109 -1.321 1.00 . A A . 18 ALA HB1 1 1 9 4188 1 1 19 ALA HB2 H -8.444 7.908 -0.415 1.00 . A A . 18 ALA HB2 1 1 9 4189 1 1 19 ALA HB3 H -9.635 6.915 0.428 1.00 . A A . 18 ALA HB3 1 1 9 4190 1 1 19 ALA N N -8.994 4.604 -0.688 1.00 . A A . 18 ALA N 1 1 9 4191 1 1 19 ALA O O -5.970 6.025 0.256 1.00 . A A . 18 ALA O 1 1 9 4192 1 1 20 LYS C C -5.654 3.960 2.350 1.00 . A A . 19 LYS C 1 1 9 4193 1 1 20 LYS CA C -6.708 4.991 2.747 1.00 . A A . 19 LYS CA 1 1 9 4194 1 1 20 LYS CB C -7.525 4.485 3.943 1.00 . A A . 19 LYS CB 1 1 9 4195 1 1 20 LYS CD C -5.921 5.154 5.775 1.00 . A A . 19 LYS CD 1 1 9 4196 1 1 20 LYS CE C -5.129 4.660 6.976 1.00 . A A . 19 LYS CE 1 1 9 4197 1 1 20 LYS CG C -6.687 4.015 5.122 1.00 . A A . 19 LYS CG 1 1 9 4198 1 1 20 LYS H H -8.558 5.119 1.731 1.00 . A A . 19 LYS H 1 1 9 4199 1 1 20 LYS HA H -6.217 5.914 3.015 1.00 . A A . 19 LYS HA 1 1 9 4200 1 1 20 LYS HB2 H -8.167 5.284 4.284 1.00 . A A . 19 LYS HB2 1 1 9 4201 1 1 20 LYS HB3 H -8.140 3.659 3.617 1.00 . A A . 19 LYS HB3 1 1 9 4202 1 1 20 LYS HD2 H -5.238 5.578 5.054 1.00 . A A . 19 LYS HD2 1 1 9 4203 1 1 20 LYS HD3 H -6.621 5.908 6.100 1.00 . A A . 19 LYS HD3 1 1 9 4204 1 1 20 LYS HE2 H -5.810 4.192 7.671 1.00 . A A . 19 LYS HE2 1 1 9 4205 1 1 20 LYS HE3 H -4.407 3.931 6.639 1.00 . A A . 19 LYS HE3 1 1 9 4206 1 1 20 LYS HG2 H -7.339 3.569 5.857 1.00 . A A . 19 LYS HG2 1 1 9 4207 1 1 20 LYS HG3 H -5.984 3.274 4.771 1.00 . A A . 19 LYS HG3 1 1 9 4208 1 1 20 LYS HZ1 H -3.853 5.382 8.460 1.00 . A A . 19 LYS HZ1 1 1 9 4209 1 1 20 LYS HZ2 H -5.097 6.451 8.049 1.00 . A A . 19 LYS HZ2 1 1 9 4210 1 1 20 LYS HZ3 H -3.779 6.251 7.013 1.00 . A A . 19 LYS HZ3 1 1 9 4211 1 1 20 LYS N N -7.595 5.261 1.620 1.00 . A A . 19 LYS N 1 1 9 4212 1 1 20 LYS NZ N -4.415 5.762 7.672 1.00 . A A . 19 LYS NZ 1 1 9 4213 1 1 20 LYS O O -4.495 4.043 2.756 1.00 . A A . 19 LYS O 1 1 9 4214 1 1 21 4PH C33 C -2.737 -3.133 -2.014 1.00 . A A . 20 4PH C33 1 1 9 4215 1 1 21 4PH H33 H -3.318 -4.015 -2.221 1.00 . A A . 20 4PH H33 1 1 9 4216 1 1 21 4PH H33A H -2.300 -2.758 -2.929 1.00 . A A . 20 4PH H33A 1 1 9 4217 1 1 21 4PH H33B H -1.956 -3.385 -1.312 1.00 . A A . 20 4PH H33B 1 1 9 4218 1 1 22 GLN C C -2.567 4.973 -0.869 1.00 . A A . 21 GLN C 1 1 9 4219 1 1 22 GLN CA C -3.597 4.166 -1.657 1.00 . A A . 21 GLN CA 1 1 9 4220 1 1 22 GLN CB C -4.355 5.086 -2.614 1.00 . A A . 21 GLN CB 1 1 9 4221 1 1 22 GLN CD C -4.341 3.512 -4.588 1.00 . A A . 21 GLN CD 1 1 9 4222 1 1 22 GLN CG C -5.190 4.340 -3.641 1.00 . A A . 21 GLN CG 1 1 9 4223 1 1 22 GLN H H -5.488 3.647 -0.846 1.00 . A A . 21 GLN H 1 1 9 4224 1 1 22 GLN HA H -3.079 3.417 -2.237 1.00 . A A . 21 GLN HA 1 1 9 4225 1 1 22 GLN HB2 H -5.012 5.723 -2.041 1.00 . A A . 21 GLN HB2 1 1 9 4226 1 1 22 GLN HB3 H -3.641 5.702 -3.142 1.00 . A A . 21 GLN HB3 1 1 9 4227 1 1 22 GLN HE21 H -4.458 1.937 -3.387 1.00 . A A . 21 GLN HE21 1 1 9 4228 1 1 22 GLN HE22 H -3.545 1.713 -4.832 1.00 . A A . 21 GLN HE22 1 1 9 4229 1 1 22 GLN HG2 H -5.872 3.682 -3.121 1.00 . A A . 21 GLN HG2 1 1 9 4230 1 1 22 GLN HG3 H -5.754 5.059 -4.219 1.00 . A A . 21 GLN HG3 1 1 9 4231 1 1 22 GLN N N -4.525 3.470 -0.765 1.00 . A A . 21 GLN N 1 1 9 4232 1 1 22 GLN NE2 N -4.090 2.263 -4.232 1.00 . A A . 21 GLN NE2 1 1 9 4233 1 1 22 GLN O O -1.424 5.123 -1.299 1.00 . A A . 21 GLN O 1 1 9 4234 1 1 22 GLN OE1 O -3.913 3.994 -5.636 1.00 . A A . 21 GLN OE1 1 1 9 4235 1 1 23 ALA C C -0.934 5.390 1.653 1.00 . A A . 22 ALA C 1 1 9 4236 1 1 23 ALA CA C -2.093 6.247 1.150 1.00 . A A . 22 ALA CA 1 1 9 4237 1 1 23 ALA CB C -2.876 6.823 2.314 1.00 . A A . 22 ALA CB 1 1 9 4238 1 1 23 ALA H H -3.906 5.333 0.570 1.00 . A A . 22 ALA H 1 1 9 4239 1 1 23 ALA HA H -1.696 7.067 0.572 1.00 . A A . 22 ALA HA 1 1 9 4240 1 1 23 ALA HB1 H -3.263 6.015 2.920 1.00 . A A . 22 ALA HB1 1 1 9 4241 1 1 23 ALA HB2 H -3.697 7.415 1.937 1.00 . A A . 22 ALA HB2 1 1 9 4242 1 1 23 ALA HB3 H -2.227 7.444 2.913 1.00 . A A . 22 ALA HB3 1 1 9 4243 1 1 23 ALA N N -2.977 5.477 0.288 1.00 . A A . 22 ALA N 1 1 9 4244 1 1 23 ALA O O 0.186 5.875 1.816 1.00 . A A . 22 ALA O 1 1 9 4245 1 1 24 ASP C C 0.715 2.802 1.142 1.00 . A A . 23 ASP C 1 1 9 4246 1 1 24 ASP CA C -0.164 3.183 2.324 1.00 . A A . 23 ASP CA 1 1 9 4247 1 1 24 ASP CB C -0.761 1.919 2.946 1.00 . A A . 23 ASP CB 1 1 9 4248 1 1 24 ASP CG C 0.292 1.061 3.625 1.00 . A A . 23 ASP CG 1 1 9 4249 1 1 24 ASP H H -2.131 3.798 1.801 1.00 . A A . 23 ASP H 1 1 9 4250 1 1 24 ASP HA H 0.446 3.684 3.062 1.00 . A A . 23 ASP HA 1 1 9 4251 1 1 24 ASP HB2 H -1.502 2.196 3.678 1.00 . A A . 23 ASP HB2 1 1 9 4252 1 1 24 ASP HB3 H -1.229 1.331 2.169 1.00 . A A . 23 ASP HB3 1 1 9 4253 1 1 24 ASP N N -1.207 4.115 1.899 1.00 . A A . 23 ASP N 1 1 9 4254 1 1 24 ASP O O 1.926 2.638 1.281 1.00 . A A . 23 ASP O 1 1 9 4255 1 1 24 ASP OD1 O 0.809 1.478 4.685 1.00 . A A . 23 ASP OD1 1 1 9 4256 1 1 24 ASP OD2 O 0.599 -0.038 3.114 1.00 . A A . 23 ASP OD2 1 1 9 4257 1 1 25 LEU C C 1.837 3.454 -1.575 1.00 . A A . 24 LEU C 1 1 9 4258 1 1 25 LEU CA C 0.828 2.367 -1.253 1.00 . A A . 24 LEU CA 1 1 9 4259 1 1 25 LEU CB C -0.121 2.170 -2.441 1.00 . A A . 24 LEU CB 1 1 9 4260 1 1 25 LEU CD1 C 0.390 -0.205 -3.083 1.00 . A A . 24 LEU CD1 1 1 9 4261 1 1 25 LEU CD2 C -1.293 0.265 -1.310 1.00 . A A . 24 LEU CD2 1 1 9 4262 1 1 25 LEU CG C -0.690 0.758 -2.610 1.00 . A A . 24 LEU CG 1 1 9 4263 1 1 25 LEU H H -0.876 2.788 -0.066 1.00 . A A . 24 LEU H 1 1 9 4264 1 1 25 LEU HA H 1.362 1.446 -1.083 1.00 . A A . 24 LEU HA 1 1 9 4265 1 1 25 LEU HB2 H -0.949 2.856 -2.327 1.00 . A A . 24 LEU HB2 1 1 9 4266 1 1 25 LEU HB3 H 0.413 2.426 -3.344 1.00 . A A . 24 LEU HB3 1 1 9 4267 1 1 25 LEU HD11 H 0.800 0.147 -4.018 1.00 . A A . 24 LEU HD11 1 1 9 4268 1 1 25 LEU HD12 H -0.041 -1.186 -3.224 1.00 . A A . 24 LEU HD12 1 1 9 4269 1 1 25 LEU HD13 H 1.173 -0.259 -2.343 1.00 . A A . 24 LEU HD13 1 1 9 4270 1 1 25 LEU HD21 H -1.683 -0.733 -1.449 1.00 . A A . 24 LEU HD21 1 1 9 4271 1 1 25 LEU HD22 H -2.095 0.926 -1.011 1.00 . A A . 24 LEU HD22 1 1 9 4272 1 1 25 LEU HD23 H -0.533 0.252 -0.543 1.00 . A A . 24 LEU HD23 1 1 9 4273 1 1 25 LEU HG H -1.471 0.777 -3.356 1.00 . A A . 24 LEU HG 1 1 9 4274 1 1 25 LEU N N 0.097 2.677 -0.028 1.00 . A A . 24 LEU N 1 1 9 4275 1 1 25 LEU O O 2.917 3.176 -2.090 1.00 . A A . 24 LEU O 1 1 9 4276 1 1 26 ALA C C 3.635 5.626 -0.580 1.00 . A A . 25 ALA C 1 1 9 4277 1 1 26 ALA CA C 2.398 5.809 -1.451 1.00 . A A . 25 ALA CA 1 1 9 4278 1 1 26 ALA CB C 1.701 7.118 -1.126 1.00 . A A . 25 ALA CB 1 1 9 4279 1 1 26 ALA H H 0.576 4.864 -0.923 1.00 . A A . 25 ALA H 1 1 9 4280 1 1 26 ALA HA H 2.700 5.832 -2.489 1.00 . A A . 25 ALA HA 1 1 9 4281 1 1 26 ALA HB1 H 0.834 7.230 -1.760 1.00 . A A . 25 ALA HB1 1 1 9 4282 1 1 26 ALA HB2 H 2.381 7.941 -1.296 1.00 . A A . 25 ALA HB2 1 1 9 4283 1 1 26 ALA HB3 H 1.393 7.112 -0.091 1.00 . A A . 25 ALA HB3 1 1 9 4284 1 1 26 ALA N N 1.482 4.694 -1.270 1.00 . A A . 25 ALA N 1 1 9 4285 1 1 26 ALA O O 4.758 5.904 -1.008 1.00 . A A . 25 ALA O 1 1 9 4286 1 1 27 LYS C C 5.328 3.663 1.104 1.00 . A A . 26 LYS C 1 1 9 4287 1 1 27 LYS CA C 4.513 4.869 1.556 1.00 . A A . 26 LYS CA 1 1 9 4288 1 1 27 LYS CB C 3.975 4.645 2.971 1.00 . A A . 26 LYS CB 1 1 9 4289 1 1 27 LYS CD C 4.321 7.021 3.702 1.00 . A A . 26 LYS CD 1 1 9 4290 1 1 27 LYS CE C 3.699 8.228 4.377 1.00 . A A . 26 LYS CE 1 1 9 4291 1 1 27 LYS CG C 3.329 5.877 3.582 1.00 . A A . 26 LYS CG 1 1 9 4292 1 1 27 LYS H H 2.505 4.916 0.906 1.00 . A A . 26 LYS H 1 1 9 4293 1 1 27 LYS HA H 5.153 5.736 1.557 1.00 . A A . 26 LYS HA 1 1 9 4294 1 1 27 LYS HB2 H 3.239 3.856 2.943 1.00 . A A . 26 LYS HB2 1 1 9 4295 1 1 27 LYS HB3 H 4.792 4.340 3.607 1.00 . A A . 26 LYS HB3 1 1 9 4296 1 1 27 LYS HD2 H 5.167 6.691 4.285 1.00 . A A . 26 LYS HD2 1 1 9 4297 1 1 27 LYS HD3 H 4.652 7.303 2.713 1.00 . A A . 26 LYS HD3 1 1 9 4298 1 1 27 LYS HE2 H 2.854 8.557 3.793 1.00 . A A . 26 LYS HE2 1 1 9 4299 1 1 27 LYS HE3 H 3.366 7.940 5.363 1.00 . A A . 26 LYS HE3 1 1 9 4300 1 1 27 LYS HG2 H 2.508 6.189 2.954 1.00 . A A . 26 LYS HG2 1 1 9 4301 1 1 27 LYS HG3 H 2.958 5.627 4.566 1.00 . A A . 26 LYS HG3 1 1 9 4302 1 1 27 LYS HZ1 H 4.220 10.159 4.969 1.00 . A A . 26 LYS HZ1 1 1 9 4303 1 1 27 LYS HZ2 H 4.996 9.643 3.560 1.00 . A A . 26 LYS HZ2 1 1 9 4304 1 1 27 LYS HZ3 H 5.492 9.047 5.062 1.00 . A A . 26 LYS HZ3 1 1 9 4305 1 1 27 LYS N N 3.422 5.126 0.631 1.00 . A A . 26 LYS N 1 1 9 4306 1 1 27 LYS NZ N 4.668 9.345 4.502 1.00 . A A . 26 LYS NZ 1 1 9 4307 1 1 27 LYS O O 6.559 3.681 1.152 1.00 . A A . 26 LYS O 1 1 9 4308 1 1 28 4PH C33 C 6.376 -3.709 -3.565 1.00 . A A . 27 4PH C33 1 1 9 4309 1 1 28 4PH H33 H 7.195 -3.285 -4.125 1.00 . A A . 27 4PH H33 1 1 9 4310 1 1 28 4PH H33A H 6.732 -4.541 -2.976 1.00 . A A . 27 4PH H33A 1 1 9 4311 1 1 28 4PH H33B H 5.613 -4.046 -4.254 1.00 . A A . 27 4PH H33B 1 1 9 4312 1 1 29 GLN C C 7.486 3.727 -2.954 1.00 . A A . 28 GLN C 1 1 9 4313 1 1 29 GLN CA C 6.312 2.794 -3.240 1.00 . A A . 28 GLN CA 1 1 9 4314 1 1 29 GLN CB C 5.365 3.413 -4.272 1.00 . A A . 28 GLN CB 1 1 9 4315 1 1 29 GLN CD C 3.324 3.081 -5.738 1.00 . A A . 28 GLN CD 1 1 9 4316 1 1 29 GLN CG C 4.289 2.446 -4.760 1.00 . A A . 28 GLN CG 1 1 9 4317 1 1 29 GLN H H 4.664 2.774 -1.903 1.00 . A A . 28 GLN H 1 1 9 4318 1 1 29 GLN HA H 6.701 1.870 -3.639 1.00 . A A . 28 GLN HA 1 1 9 4319 1 1 29 GLN HB2 H 4.875 4.271 -3.827 1.00 . A A . 28 GLN HB2 1 1 9 4320 1 1 29 GLN HB3 H 5.944 3.741 -5.123 1.00 . A A . 28 GLN HB3 1 1 9 4321 1 1 29 GLN HE21 H 2.164 3.681 -4.247 1.00 . A A . 28 GLN HE21 1 1 9 4322 1 1 29 GLN HE22 H 1.621 4.099 -5.829 1.00 . A A . 28 GLN HE22 1 1 9 4323 1 1 29 GLN HG2 H 4.767 1.609 -5.249 1.00 . A A . 28 GLN HG2 1 1 9 4324 1 1 29 GLN HG3 H 3.729 2.086 -3.908 1.00 . A A . 28 GLN HG3 1 1 9 4325 1 1 29 GLN N N 5.592 2.465 -2.016 1.00 . A A . 28 GLN N 1 1 9 4326 1 1 29 GLN NE2 N 2.264 3.680 -5.220 1.00 . A A . 28 GLN NE2 1 1 9 4327 1 1 29 GLN O O 8.530 3.633 -3.601 1.00 . A A . 28 GLN O 1 1 9 4328 1 1 29 GLN OE1 O 3.533 3.035 -6.950 1.00 . A A . 28 GLN OE1 1 1 9 4329 1 1 30 LYS C C 9.544 4.772 -0.944 1.00 . A A . 29 LYS C 1 1 9 4330 1 1 30 LYS CA C 8.381 5.531 -1.577 1.00 . A A . 29 LYS CA 1 1 9 4331 1 1 30 LYS CB C 7.842 6.581 -0.594 1.00 . A A . 29 LYS CB 1 1 9 4332 1 1 30 LYS CD C 9.174 8.568 -1.413 1.00 . A A . 29 LYS CD 1 1 9 4333 1 1 30 LYS CE C 7.973 9.407 -1.837 1.00 . A A . 29 LYS CE 1 1 9 4334 1 1 30 LYS CG C 8.848 7.666 -0.229 1.00 . A A . 29 LYS CG 1 1 9 4335 1 1 30 LYS H H 6.468 4.624 -1.485 1.00 . A A . 29 LYS H 1 1 9 4336 1 1 30 LYS HA H 8.732 6.027 -2.469 1.00 . A A . 29 LYS HA 1 1 9 4337 1 1 30 LYS HB2 H 6.977 7.055 -1.032 1.00 . A A . 29 LYS HB2 1 1 9 4338 1 1 30 LYS HB3 H 7.542 6.082 0.315 1.00 . A A . 29 LYS HB3 1 1 9 4339 1 1 30 LYS HD2 H 9.980 9.230 -1.137 1.00 . A A . 29 LYS HD2 1 1 9 4340 1 1 30 LYS HD3 H 9.482 7.953 -2.246 1.00 . A A . 29 LYS HD3 1 1 9 4341 1 1 30 LYS HE2 H 8.242 9.980 -2.712 1.00 . A A . 29 LYS HE2 1 1 9 4342 1 1 30 LYS HE3 H 7.155 8.746 -2.082 1.00 . A A . 29 LYS HE3 1 1 9 4343 1 1 30 LYS HG2 H 8.438 8.270 0.565 1.00 . A A . 29 LYS HG2 1 1 9 4344 1 1 30 LYS HG3 H 9.759 7.195 0.112 1.00 . A A . 29 LYS HG3 1 1 9 4345 1 1 30 LYS HZ1 H 7.287 9.813 0.094 1.00 . A A . 29 LYS HZ1 1 1 9 4346 1 1 30 LYS HZ2 H 6.706 10.883 -1.075 1.00 . A A . 29 LYS HZ2 1 1 9 4347 1 1 30 LYS HZ3 H 8.302 11.009 -0.538 1.00 . A A . 29 LYS HZ3 1 1 9 4348 1 1 30 LYS N N 7.321 4.603 -1.966 1.00 . A A . 29 LYS N 1 1 9 4349 1 1 30 LYS NZ N 7.538 10.341 -0.765 1.00 . A A . 29 LYS NZ 1 1 9 4350 1 1 30 LYS O O 10.703 4.963 -1.315 1.00 . A A . 29 LYS O 1 1 9 4351 1 1 31 ASP C C 10.864 2.085 -0.248 1.00 . A A . 30 ASP C 1 1 9 4352 1 1 31 ASP CA C 10.242 3.111 0.694 1.00 . A A . 30 ASP CA 1 1 9 4353 1 1 31 ASP CB C 9.648 2.416 1.926 1.00 . A A . 30 ASP CB 1 1 9 4354 1 1 31 ASP CG C 10.664 1.572 2.673 1.00 . A A . 30 ASP CG 1 1 9 4355 1 1 31 ASP H H 8.276 3.771 0.235 1.00 . A A . 30 ASP H 1 1 9 4356 1 1 31 ASP HA H 11.014 3.794 1.016 1.00 . A A . 30 ASP HA 1 1 9 4357 1 1 31 ASP HB2 H 9.268 3.164 2.607 1.00 . A A . 30 ASP HB2 1 1 9 4358 1 1 31 ASP HB3 H 8.836 1.775 1.617 1.00 . A A . 30 ASP HB3 1 1 9 4359 1 1 31 ASP N N 9.223 3.895 -0.001 1.00 . A A . 30 ASP N 1 1 9 4360 1 1 31 ASP O O 12.062 1.816 -0.179 1.00 . A A . 30 ASP O 1 1 9 4361 1 1 31 ASP OD1 O 11.595 2.146 3.279 1.00 . A A . 30 ASP OD1 1 1 9 4362 1 1 31 ASP OD2 O 10.516 0.332 2.686 1.00 . A A . 30 ASP OD2 1 1 9 4363 1 1 32 LEU C C 11.536 1.291 -3.055 1.00 . A A . 31 LEU C 1 1 9 4364 1 1 32 LEU CA C 10.526 0.593 -2.148 1.00 . A A . 31 LEU CA 1 1 9 4365 1 1 32 LEU CB C 9.337 0.059 -2.971 1.00 . A A . 31 LEU CB 1 1 9 4366 1 1 32 LEU CD1 C 10.534 -1.212 -4.798 1.00 . A A . 31 LEU CD1 1 1 9 4367 1 1 32 LEU CD2 C 9.941 -2.356 -2.663 1.00 . A A . 31 LEU CD2 1 1 9 4368 1 1 32 LEU CG C 9.525 -1.298 -3.667 1.00 . A A . 31 LEU CG 1 1 9 4369 1 1 32 LEU H H 9.090 1.755 -1.113 1.00 . A A . 31 LEU H 1 1 9 4370 1 1 32 LEU HA H 11.010 -0.226 -1.641 1.00 . A A . 31 LEU HA 1 1 9 4371 1 1 32 LEU HB2 H 8.484 -0.022 -2.313 1.00 . A A . 31 LEU HB2 1 1 9 4372 1 1 32 LEU HB3 H 9.109 0.792 -3.729 1.00 . A A . 31 LEU HB3 1 1 9 4373 1 1 32 LEU HD11 H 10.643 -2.183 -5.257 1.00 . A A . 31 LEU HD11 1 1 9 4374 1 1 32 LEU HD12 H 11.488 -0.890 -4.405 1.00 . A A . 31 LEU HD12 1 1 9 4375 1 1 32 LEU HD13 H 10.190 -0.502 -5.536 1.00 . A A . 31 LEU HD13 1 1 9 4376 1 1 32 LEU HD21 H 9.962 -3.321 -3.145 1.00 . A A . 31 LEU HD21 1 1 9 4377 1 1 32 LEU HD22 H 9.231 -2.373 -1.848 1.00 . A A . 31 LEU HD22 1 1 9 4378 1 1 32 LEU HD23 H 10.923 -2.122 -2.282 1.00 . A A . 31 LEU HD23 1 1 9 4379 1 1 32 LEU HG H 8.581 -1.602 -4.095 1.00 . A A . 31 LEU HG 1 1 9 4380 1 1 32 LEU N N 10.049 1.533 -1.140 1.00 . A A . 31 LEU N 1 1 9 4381 1 1 32 LEU O O 12.565 0.720 -3.421 1.00 . A A . 31 LEU O 1 1 9 4382 1 1 33 ALA C C 13.473 3.533 -3.547 1.00 . A A . 32 ALA C 1 1 9 4383 1 1 33 ALA CA C 12.125 3.341 -4.226 1.00 . A A . 32 ALA CA 1 1 9 4384 1 1 33 ALA CB C 11.485 4.684 -4.529 1.00 . A A . 32 ALA CB 1 1 9 4385 1 1 33 ALA H H 10.401 2.932 -3.078 1.00 . A A . 32 ALA H 1 1 9 4386 1 1 33 ALA HA H 12.272 2.820 -5.159 1.00 . A A . 32 ALA HA 1 1 9 4387 1 1 33 ALA HB1 H 10.533 4.528 -5.015 1.00 . A A . 32 ALA HB1 1 1 9 4388 1 1 33 ALA HB2 H 12.133 5.255 -5.178 1.00 . A A . 32 ALA HB2 1 1 9 4389 1 1 33 ALA HB3 H 11.333 5.224 -3.605 1.00 . A A . 32 ALA HB3 1 1 9 4390 1 1 33 ALA N N 11.239 2.538 -3.398 1.00 . A A . 32 ALA N 1 1 9 4391 1 1 33 ALA O O 14.518 3.469 -4.191 1.00 . A A . 32 ALA O 1 1 9 4392 1 1 34 ASP C C 15.406 2.616 -1.292 1.00 . A A . 33 ASP C 1 1 9 4393 1 1 34 ASP CA C 14.662 3.939 -1.463 1.00 . A A . 33 ASP CA 1 1 9 4394 1 1 34 ASP CB C 14.343 4.543 -0.092 1.00 . A A . 33 ASP CB 1 1 9 4395 1 1 34 ASP CG C 15.579 4.701 0.774 1.00 . A A . 33 ASP CG 1 1 9 4396 1 1 34 ASP H H 12.570 3.820 -1.792 1.00 . A A . 33 ASP H 1 1 9 4397 1 1 34 ASP HA H 15.295 4.622 -2.005 1.00 . A A . 33 ASP HA 1 1 9 4398 1 1 34 ASP HB2 H 13.897 5.516 -0.228 1.00 . A A . 33 ASP HB2 1 1 9 4399 1 1 34 ASP HB3 H 13.645 3.901 0.424 1.00 . A A . 33 ASP HB3 1 1 9 4400 1 1 34 ASP N N 13.440 3.760 -2.242 1.00 . A A . 33 ASP N 1 1 9 4401 1 1 34 ASP O O 16.634 2.567 -1.383 1.00 . A A . 33 ASP O 1 1 9 4402 1 1 34 ASP OD1 O 16.339 5.667 0.559 1.00 . A A . 33 ASP OD1 1 1 9 4403 1 1 34 ASP OD2 O 15.791 3.868 1.680 1.00 . A A . 33 ASP OD2 1 1 9 4404 1 1 35 4PH C33 C 15.970 -6.015 0.552 1.00 . A A . 34 4PH C33 1 1 9 4405 1 1 35 4PH H33 H 15.343 -6.729 0.042 1.00 . A A . 34 4PH H33 1 1 9 4406 1 1 35 4PH H33A H 16.988 -6.110 0.206 1.00 . A A . 34 4PH H33A 1 1 9 4407 1 1 35 4PH H33B H 15.926 -6.201 1.617 1.00 . A A . 34 4PH H33B 1 1 9 4408 1 1 36 NH2 HN1 H 14.350 0.167 -3.211 1.00 . A A . 35 NH2 HN1 1 1 9 4409 1 1 36 NH2 HN2 H 15.711 -0.469 -4.068 1.00 . A A . 35 NH2 HN2 1 1 9 4410 1 1 36 NH2 N N 15.270 -0.176 -3.246 1.00 . A A . 35 NH2 N 1 1 10 4411 1 1 1 ACE C C 12.498 -3.198 6.797 1.00 . A A . 0 ACE C 1 1 10 4412 1 1 1 ACE CH3 C 13.515 -2.447 5.986 1.00 . A A . 0 ACE CH3 1 1 10 4413 1 1 1 ACE H1 H 14.104 -3.162 5.422 1.00 . A A . 0 ACE H1 1 1 10 4414 1 1 1 ACE H2 H 14.160 -1.896 6.644 1.00 . A A . 0 ACE H2 1 1 10 4415 1 1 1 ACE H3 H 12.997 -1.758 5.328 1.00 . A A . 0 ACE H3 1 1 10 4416 1 1 1 ACE O O 11.943 -2.672 7.764 1.00 . A A . 0 ACE O 1 1 10 4417 1 1 2 PRO C C 10.171 -4.101 5.070 1.00 . A A . 1 PRO C 1 1 10 4418 1 1 2 PRO CA C 11.537 -4.784 5.169 1.00 . A A . 1 PRO CA 1 1 10 4419 1 1 2 PRO CB C 11.367 -6.311 5.242 1.00 . A A . 1 PRO CB 1 1 10 4420 1 1 2 PRO CD C 12.590 -5.655 7.180 1.00 . A A . 1 PRO CD 1 1 10 4421 1 1 2 PRO CG C 11.621 -6.678 6.663 1.00 . A A . 1 PRO CG 1 1 10 4422 1 1 2 PRO HA H 12.134 -4.528 4.311 1.00 . A A . 1 PRO HA 1 1 10 4423 1 1 2 PRO HB2 H 10.360 -6.584 4.948 1.00 . A A . 1 PRO HB2 1 1 10 4424 1 1 2 PRO HB3 H 12.088 -6.796 4.602 1.00 . A A . 1 PRO HB3 1 1 10 4425 1 1 2 PRO HD2 H 12.454 -5.498 8.240 1.00 . A A . 1 PRO HD2 1 1 10 4426 1 1 2 PRO HD3 H 13.610 -5.951 6.965 1.00 . A A . 1 PRO HD3 1 1 10 4427 1 1 2 PRO HG2 H 10.693 -6.640 7.222 1.00 . A A . 1 PRO HG2 1 1 10 4428 1 1 2 PRO HG3 H 12.056 -7.663 6.718 1.00 . A A . 1 PRO HG3 1 1 10 4429 1 1 2 PRO N N 12.226 -4.454 6.422 1.00 . A A . 1 PRO N 1 1 10 4430 1 1 2 PRO O O 9.383 -4.144 6.018 1.00 . A A . 1 PRO O 1 1 10 4431 1 1 3 PRO C C 7.446 -3.772 3.541 1.00 . A A . 2 PRO C 1 1 10 4432 1 1 3 PRO CA C 8.591 -2.780 3.723 1.00 . A A . 2 PRO CA 1 1 10 4433 1 1 3 PRO CB C 8.790 -1.971 2.430 1.00 . A A . 2 PRO CB 1 1 10 4434 1 1 3 PRO CD C 10.738 -3.348 2.747 1.00 . A A . 2 PRO CD 1 1 10 4435 1 1 3 PRO CG C 10.226 -2.115 2.056 1.00 . A A . 2 PRO CG 1 1 10 4436 1 1 3 PRO HA H 8.364 -2.114 4.543 1.00 . A A . 2 PRO HA 1 1 10 4437 1 1 3 PRO HB2 H 8.150 -2.368 1.652 1.00 . A A . 2 PRO HB2 1 1 10 4438 1 1 3 PRO HB3 H 8.559 -0.931 2.605 1.00 . A A . 2 PRO HB3 1 1 10 4439 1 1 3 PRO HD2 H 10.633 -4.213 2.108 1.00 . A A . 2 PRO HD2 1 1 10 4440 1 1 3 PRO HD3 H 11.771 -3.214 3.035 1.00 . A A . 2 PRO HD3 1 1 10 4441 1 1 3 PRO HG2 H 10.309 -2.223 0.983 1.00 . A A . 2 PRO HG2 1 1 10 4442 1 1 3 PRO HG3 H 10.779 -1.251 2.390 1.00 . A A . 2 PRO HG3 1 1 10 4443 1 1 3 PRO N N 9.870 -3.459 3.928 1.00 . A A . 2 PRO N 1 1 10 4444 1 1 3 PRO O O 7.453 -4.571 2.605 1.00 . A A . 2 PRO O 1 1 10 4445 1 1 4 THR C C 4.422 -4.202 3.184 1.00 . A A . 3 THR C 1 1 10 4446 1 1 4 THR CA C 5.320 -4.605 4.347 1.00 . A A . 3 THR CA 1 1 10 4447 1 1 4 THR CB C 4.507 -4.599 5.657 1.00 . A A . 3 THR CB 1 1 10 4448 1 1 4 THR CG2 C 5.192 -5.437 6.725 1.00 . A A . 3 THR CG2 1 1 10 4449 1 1 4 THR H H 6.518 -3.078 5.169 1.00 . A A . 3 THR H 1 1 10 4450 1 1 4 THR HA H 5.683 -5.607 4.178 1.00 . A A . 3 THR HA 1 1 10 4451 1 1 4 THR HB H 3.535 -5.025 5.458 1.00 . A A . 3 THR HB 1 1 10 4452 1 1 4 THR HG1 H 4.849 -3.128 6.935 1.00 . A A . 3 THR HG1 1 1 10 4453 1 1 4 THR HG21 H 4.594 -5.431 7.625 1.00 . A A . 3 THR HG21 1 1 10 4454 1 1 4 THR HG22 H 6.167 -5.025 6.938 1.00 . A A . 3 THR HG22 1 1 10 4455 1 1 4 THR HG23 H 5.299 -6.452 6.372 1.00 . A A . 3 THR HG23 1 1 10 4456 1 1 4 THR N N 6.469 -3.724 4.437 1.00 . A A . 3 THR N 1 1 10 4457 1 1 4 THR O O 3.926 -3.073 3.132 1.00 . A A . 3 THR O 1 1 10 4458 1 1 4 THR OG1 O 4.338 -3.254 6.126 1.00 . A A . 3 THR OG1 1 1 10 4459 1 1 5 LYS C C 1.919 -4.888 1.527 1.00 . A A . 4 LYS C 1 1 10 4460 1 1 5 LYS CA C 3.383 -4.842 1.094 1.00 . A A . 4 LYS CA 1 1 10 4461 1 1 5 LYS CB C 3.641 -5.842 -0.046 1.00 . A A . 4 LYS CB 1 1 10 4462 1 1 5 LYS CD C 3.400 -8.177 -0.931 1.00 . A A . 4 LYS CD 1 1 10 4463 1 1 5 LYS CE C 2.816 -9.556 -0.684 1.00 . A A . 4 LYS CE 1 1 10 4464 1 1 5 LYS CG C 3.116 -7.237 0.228 1.00 . A A . 4 LYS CG 1 1 10 4465 1 1 5 LYS H H 4.706 -5.971 2.302 1.00 . A A . 4 LYS H 1 1 10 4466 1 1 5 LYS HA H 3.607 -3.846 0.747 1.00 . A A . 4 LYS HA 1 1 10 4467 1 1 5 LYS HB2 H 3.167 -5.475 -0.945 1.00 . A A . 4 LYS HB2 1 1 10 4468 1 1 5 LYS HB3 H 4.706 -5.912 -0.216 1.00 . A A . 4 LYS HB3 1 1 10 4469 1 1 5 LYS HD2 H 2.965 -7.767 -1.830 1.00 . A A . 4 LYS HD2 1 1 10 4470 1 1 5 LYS HD3 H 4.471 -8.266 -1.054 1.00 . A A . 4 LYS HD3 1 1 10 4471 1 1 5 LYS HE2 H 3.120 -10.208 -1.488 1.00 . A A . 4 LYS HE2 1 1 10 4472 1 1 5 LYS HE3 H 3.202 -9.935 0.250 1.00 . A A . 4 LYS HE3 1 1 10 4473 1 1 5 LYS HG2 H 3.593 -7.621 1.115 1.00 . A A . 4 LYS HG2 1 1 10 4474 1 1 5 LYS HG3 H 2.049 -7.181 0.382 1.00 . A A . 4 LYS HG3 1 1 10 4475 1 1 5 LYS HZ1 H 1.011 -8.919 0.157 1.00 . A A . 4 LYS HZ1 1 1 10 4476 1 1 5 LYS HZ2 H 0.962 -10.491 -0.457 1.00 . A A . 4 LYS HZ2 1 1 10 4477 1 1 5 LYS HZ3 H 0.937 -9.173 -1.512 1.00 . A A . 4 LYS HZ3 1 1 10 4478 1 1 5 LYS N N 4.245 -5.108 2.233 1.00 . A A . 4 LYS N 1 1 10 4479 1 1 5 LYS NZ N 1.329 -9.533 -0.619 1.00 . A A . 4 LYS NZ 1 1 10 4480 1 1 5 LYS O O 1.524 -5.745 2.322 1.00 . A A . 4 LYS O 1 1 10 4481 1 1 6 PRO C C -1.133 -5.002 0.749 1.00 . A A . 5 PRO C 1 1 10 4482 1 1 6 PRO CA C -0.320 -3.880 1.386 1.00 . A A . 5 PRO CA 1 1 10 4483 1 1 6 PRO CB C -0.742 -2.528 0.820 1.00 . A A . 5 PRO CB 1 1 10 4484 1 1 6 PRO CD C 1.499 -2.877 0.104 1.00 . A A . 5 PRO CD 1 1 10 4485 1 1 6 PRO CG C 0.189 -2.278 -0.308 1.00 . A A . 5 PRO CG 1 1 10 4486 1 1 6 PRO HA H -0.469 -3.891 2.455 1.00 . A A . 5 PRO HA 1 1 10 4487 1 1 6 PRO HB2 H -1.764 -2.577 0.479 1.00 . A A . 5 PRO HB2 1 1 10 4488 1 1 6 PRO HB3 H -0.632 -1.762 1.568 1.00 . A A . 5 PRO HB3 1 1 10 4489 1 1 6 PRO HD2 H 2.014 -3.279 -0.758 1.00 . A A . 5 PRO HD2 1 1 10 4490 1 1 6 PRO HD3 H 2.111 -2.139 0.605 1.00 . A A . 5 PRO HD3 1 1 10 4491 1 1 6 PRO HG2 H -0.181 -2.757 -1.205 1.00 . A A . 5 PRO HG2 1 1 10 4492 1 1 6 PRO HG3 H 0.300 -1.219 -0.464 1.00 . A A . 5 PRO HG3 1 1 10 4493 1 1 6 PRO N N 1.103 -3.952 1.036 1.00 . A A . 5 PRO N 1 1 10 4494 1 1 6 PRO O O -0.761 -5.535 -0.297 1.00 . A A . 5 PRO O 1 1 10 4495 1 1 7 THR C C -4.111 -5.822 -0.117 1.00 . A A . 6 THR C 1 1 10 4496 1 1 7 THR CA C -3.101 -6.406 0.869 1.00 . A A . 6 THR CA 1 1 10 4497 1 1 7 THR CB C -3.821 -7.169 2.007 1.00 . A A . 6 THR CB 1 1 10 4498 1 1 7 THR CG2 C -4.746 -6.257 2.799 1.00 . A A . 6 THR CG2 1 1 10 4499 1 1 7 THR H H -2.489 -4.893 2.210 1.00 . A A . 6 THR H 1 1 10 4500 1 1 7 THR HA H -2.475 -7.109 0.338 1.00 . A A . 6 THR HA 1 1 10 4501 1 1 7 THR HB H -3.070 -7.557 2.679 1.00 . A A . 6 THR HB 1 1 10 4502 1 1 7 THR HG1 H -4.554 -9.000 2.104 1.00 . A A . 6 THR HG1 1 1 10 4503 1 1 7 THR HG21 H -4.172 -5.457 3.241 1.00 . A A . 6 THR HG21 1 1 10 4504 1 1 7 THR HG22 H -5.229 -6.826 3.580 1.00 . A A . 6 THR HG22 1 1 10 4505 1 1 7 THR HG23 H -5.495 -5.843 2.140 1.00 . A A . 6 THR HG23 1 1 10 4506 1 1 7 THR N N -2.240 -5.356 1.383 1.00 . A A . 6 THR N 1 1 10 4507 1 1 7 THR O O -4.675 -4.747 0.115 1.00 . A A . 6 THR O 1 1 10 4508 1 1 7 THR OG1 O -4.573 -8.267 1.476 1.00 . A A . 6 THR OG1 1 1 10 4509 1 1 8 LYS C C -6.576 -5.758 -1.840 1.00 . A A . 7 LYS C 1 1 10 4510 1 1 8 LYS CA C -5.160 -6.071 -2.317 1.00 . A A . 7 LYS CA 1 1 10 4511 1 1 8 LYS CB C -5.224 -7.140 -3.410 1.00 . A A . 7 LYS CB 1 1 10 4512 1 1 8 LYS CD C -3.104 -6.554 -4.670 1.00 . A A . 7 LYS CD 1 1 10 4513 1 1 8 LYS CE C -3.853 -6.109 -5.921 1.00 . A A . 7 LYS CE 1 1 10 4514 1 1 8 LYS CG C -3.865 -7.624 -3.894 1.00 . A A . 7 LYS CG 1 1 10 4515 1 1 8 LYS H H -3.876 -7.406 -1.300 1.00 . A A . 7 LYS H 1 1 10 4516 1 1 8 LYS HA H -4.719 -5.178 -2.725 1.00 . A A . 7 LYS HA 1 1 10 4517 1 1 8 LYS HB2 H -5.766 -7.991 -3.026 1.00 . A A . 7 LYS HB2 1 1 10 4518 1 1 8 LYS HB3 H -5.761 -6.738 -4.255 1.00 . A A . 7 LYS HB3 1 1 10 4519 1 1 8 LYS HD2 H -2.954 -5.696 -4.032 1.00 . A A . 7 LYS HD2 1 1 10 4520 1 1 8 LYS HD3 H -2.143 -6.956 -4.962 1.00 . A A . 7 LYS HD3 1 1 10 4521 1 1 8 LYS HE2 H -4.777 -5.638 -5.626 1.00 . A A . 7 LYS HE2 1 1 10 4522 1 1 8 LYS HE3 H -3.242 -5.394 -6.454 1.00 . A A . 7 LYS HE3 1 1 10 4523 1 1 8 LYS HG2 H -3.275 -7.913 -3.037 1.00 . A A . 7 LYS HG2 1 1 10 4524 1 1 8 LYS HG3 H -4.011 -8.482 -4.533 1.00 . A A . 7 LYS HG3 1 1 10 4525 1 1 8 LYS HZ1 H -4.808 -7.914 -6.357 1.00 . A A . 7 LYS HZ1 1 1 10 4526 1 1 8 LYS HZ2 H -3.283 -7.760 -7.072 1.00 . A A . 7 LYS HZ2 1 1 10 4527 1 1 8 LYS HZ3 H -4.603 -6.905 -7.698 1.00 . A A . 7 LYS HZ3 1 1 10 4528 1 1 8 LYS N N -4.312 -6.532 -1.221 1.00 . A A . 7 LYS N 1 1 10 4529 1 1 8 LYS NZ N -4.158 -7.251 -6.826 1.00 . A A . 7 LYS NZ 1 1 10 4530 1 1 8 LYS O O -7.132 -6.482 -1.012 1.00 . A A . 7 LYS O 1 1 10 4531 1 1 9 PRO C C -9.572 -5.156 -2.790 1.00 . A A . 8 PRO C 1 1 10 4532 1 1 9 PRO CA C -8.556 -4.313 -2.023 1.00 . A A . 8 PRO CA 1 1 10 4533 1 1 9 PRO CB C -8.669 -2.836 -2.431 1.00 . A A . 8 PRO CB 1 1 10 4534 1 1 9 PRO CD C -6.572 -3.670 -3.233 1.00 . A A . 8 PRO CD 1 1 10 4535 1 1 9 PRO CG C -7.301 -2.414 -2.854 1.00 . A A . 8 PRO CG 1 1 10 4536 1 1 9 PRO HA H -8.749 -4.408 -0.966 1.00 . A A . 8 PRO HA 1 1 10 4537 1 1 9 PRO HB2 H -9.370 -2.736 -3.250 1.00 . A A . 8 PRO HB2 1 1 10 4538 1 1 9 PRO HB3 H -8.995 -2.246 -1.586 1.00 . A A . 8 PRO HB3 1 1 10 4539 1 1 9 PRO HD2 H -6.750 -3.915 -4.271 1.00 . A A . 8 PRO HD2 1 1 10 4540 1 1 9 PRO HD3 H -5.516 -3.563 -3.039 1.00 . A A . 8 PRO HD3 1 1 10 4541 1 1 9 PRO HG2 H -7.370 -1.746 -3.703 1.00 . A A . 8 PRO HG2 1 1 10 4542 1 1 9 PRO HG3 H -6.793 -1.927 -2.033 1.00 . A A . 8 PRO HG3 1 1 10 4543 1 1 9 PRO N N -7.178 -4.666 -2.342 1.00 . A A . 8 PRO N 1 1 10 4544 1 1 9 PRO O O -9.869 -4.892 -3.956 1.00 . A A . 8 PRO O 1 1 10 4545 1 1 10 GLY C C -12.467 -6.590 -2.038 1.00 . A A . 9 GLY C 1 1 10 4546 1 1 10 GLY CA C -11.156 -6.977 -2.683 1.00 . A A . 9 GLY CA 1 1 10 4547 1 1 10 GLY H H -9.691 -6.425 -1.257 1.00 . A A . 9 GLY H 1 1 10 4548 1 1 10 GLY HA2 H -11.218 -6.803 -3.747 1.00 . A A . 9 GLY HA2 1 1 10 4549 1 1 10 GLY HA3 H -10.970 -8.026 -2.504 1.00 . A A . 9 GLY HA3 1 1 10 4550 1 1 10 GLY N N -10.067 -6.194 -2.135 1.00 . A A . 9 GLY N 1 1 10 4551 1 1 10 GLY O O -13.319 -5.958 -2.662 1.00 . A A . 9 GLY O 1 1 10 4552 1 1 11 ASP C C -13.403 -5.164 0.663 1.00 . A A . 10 ASP C 1 1 10 4553 1 1 11 ASP CA C -13.751 -6.501 0.029 1.00 . A A . 10 ASP CA 1 1 10 4554 1 1 11 ASP CB C -14.092 -7.522 1.116 1.00 . A A . 10 ASP CB 1 1 10 4555 1 1 11 ASP CG C -15.218 -7.052 2.015 1.00 . A A . 10 ASP CG 1 1 10 4556 1 1 11 ASP H H -11.951 -7.551 -0.368 1.00 . A A . 10 ASP H 1 1 10 4557 1 1 11 ASP HA H -14.601 -6.375 -0.626 1.00 . A A . 10 ASP HA 1 1 10 4558 1 1 11 ASP HB2 H -14.394 -8.448 0.651 1.00 . A A . 10 ASP HB2 1 1 10 4559 1 1 11 ASP HB3 H -13.220 -7.699 1.726 1.00 . A A . 10 ASP HB3 1 1 10 4560 1 1 11 ASP N N -12.617 -6.954 -0.773 1.00 . A A . 10 ASP N 1 1 10 4561 1 1 11 ASP O O -14.247 -4.282 0.811 1.00 . A A . 10 ASP O 1 1 10 4562 1 1 11 ASP OD1 O -16.395 -7.308 1.682 1.00 . A A . 10 ASP OD1 1 1 10 4563 1 1 11 ASP OD2 O -14.934 -6.428 3.058 1.00 . A A . 10 ASP OD2 1 1 10 4564 1 1 12 ASN C C -11.451 -2.697 0.517 1.00 . A A . 11 ASN C 1 1 10 4565 1 1 12 ASN CA C -11.575 -3.800 1.570 1.00 . A A . 11 ASN CA 1 1 10 4566 1 1 12 ASN CB C -10.206 -4.074 2.223 1.00 . A A . 11 ASN CB 1 1 10 4567 1 1 12 ASN CG C -9.231 -4.834 1.325 1.00 . A A . 11 ASN CG 1 1 10 4568 1 1 12 ASN H H -11.523 -5.789 0.862 1.00 . A A . 11 ASN H 1 1 10 4569 1 1 12 ASN HA H -12.260 -3.464 2.333 1.00 . A A . 11 ASN HA 1 1 10 4570 1 1 12 ASN HB2 H -9.753 -3.131 2.487 1.00 . A A . 11 ASN HB2 1 1 10 4571 1 1 12 ASN HB3 H -10.359 -4.652 3.122 1.00 . A A . 11 ASN HB3 1 1 10 4572 1 1 12 ASN HD21 H -7.676 -3.900 2.141 1.00 . A A . 11 ASN HD21 1 1 10 4573 1 1 12 ASN HD22 H -7.302 -5.057 0.916 1.00 . A A . 11 ASN HD22 1 1 10 4574 1 1 12 ASN N N -12.129 -5.025 1.000 1.00 . A A . 11 ASN N 1 1 10 4575 1 1 12 ASN ND2 N -7.943 -4.566 1.473 1.00 . A A . 11 ASN ND2 1 1 10 4576 1 1 12 ASN O O -10.831 -1.662 0.757 1.00 . A A . 11 ASN O 1 1 10 4577 1 1 12 ASN OD1 O -9.629 -5.662 0.509 1.00 . A A . 11 ASN OD1 1 1 10 4578 1 1 13 ALA C C -13.116 -0.930 -1.618 1.00 . A A . 12 ALA C 1 1 10 4579 1 1 13 ALA CA C -12.008 -1.970 -1.745 1.00 . A A . 12 ALA CA 1 1 10 4580 1 1 13 ALA CB C -12.126 -2.689 -3.076 1.00 . A A . 12 ALA CB 1 1 10 4581 1 1 13 ALA H H -12.519 -3.771 -0.776 1.00 . A A . 12 ALA H 1 1 10 4582 1 1 13 ALA HA H -11.055 -1.470 -1.718 1.00 . A A . 12 ALA HA 1 1 10 4583 1 1 13 ALA HB1 H -13.112 -3.118 -3.168 1.00 . A A . 12 ALA HB1 1 1 10 4584 1 1 13 ALA HB2 H -11.388 -3.475 -3.126 1.00 . A A . 12 ALA HB2 1 1 10 4585 1 1 13 ALA HB3 H -11.961 -1.985 -3.879 1.00 . A A . 12 ALA HB3 1 1 10 4586 1 1 13 ALA N N -12.040 -2.929 -0.650 1.00 . A A . 12 ALA N 1 1 10 4587 1 1 13 ALA O O -13.508 -0.308 -2.607 1.00 . A A . 12 ALA O 1 1 10 4588 1 1 14 THR C C -14.044 1.654 -0.431 1.00 . A A . 13 THR C 1 1 10 4589 1 1 14 THR CA C -14.625 0.272 -0.159 1.00 . A A . 13 THR CA 1 1 10 4590 1 1 14 THR CB C -15.159 0.197 1.285 1.00 . A A . 13 THR CB 1 1 10 4591 1 1 14 THR CG2 C -16.038 -1.028 1.469 1.00 . A A . 13 THR CG2 1 1 10 4592 1 1 14 THR H H -13.277 -1.274 0.341 1.00 . A A . 13 THR H 1 1 10 4593 1 1 14 THR HA H -15.447 0.096 -0.836 1.00 . A A . 13 THR HA 1 1 10 4594 1 1 14 THR HB H -15.755 1.078 1.473 1.00 . A A . 13 THR HB 1 1 10 4595 1 1 14 THR HG1 H -14.407 0.348 3.103 1.00 . A A . 13 THR HG1 1 1 10 4596 1 1 14 THR HG21 H -16.391 -1.067 2.489 1.00 . A A . 13 THR HG21 1 1 10 4597 1 1 14 THR HG22 H -15.469 -1.918 1.249 1.00 . A A . 13 THR HG22 1 1 10 4598 1 1 14 THR HG23 H -16.882 -0.966 0.799 1.00 . A A . 13 THR HG23 1 1 10 4599 1 1 14 THR N N -13.613 -0.739 -0.406 1.00 . A A . 13 THR N 1 1 10 4600 1 1 14 THR O O -12.915 1.933 -0.040 1.00 . A A . 13 THR O 1 1 10 4601 1 1 14 THR OG1 O -14.071 0.157 2.220 1.00 . A A . 13 THR OG1 1 1 10 4602 1 1 15 PRO C C -13.558 4.614 -0.466 1.00 . A A . 14 PRO C 1 1 10 4603 1 1 15 PRO CA C -14.328 3.853 -1.548 1.00 . A A . 14 PRO CA 1 1 10 4604 1 1 15 PRO CB C -15.625 4.585 -1.883 1.00 . A A . 14 PRO CB 1 1 10 4605 1 1 15 PRO CD C -16.179 2.261 -1.582 1.00 . A A . 14 PRO CD 1 1 10 4606 1 1 15 PRO CG C -16.573 3.521 -2.318 1.00 . A A . 14 PRO CG 1 1 10 4607 1 1 15 PRO HA H -13.715 3.786 -2.434 1.00 . A A . 14 PRO HA 1 1 10 4608 1 1 15 PRO HB2 H -15.995 5.098 -1.004 1.00 . A A . 14 PRO HB2 1 1 10 4609 1 1 15 PRO HB3 H -15.463 5.286 -2.685 1.00 . A A . 14 PRO HB3 1 1 10 4610 1 1 15 PRO HD2 H -16.834 2.092 -0.739 1.00 . A A . 14 PRO HD2 1 1 10 4611 1 1 15 PRO HD3 H -16.206 1.411 -2.250 1.00 . A A . 14 PRO HD3 1 1 10 4612 1 1 15 PRO HG2 H -17.586 3.811 -2.058 1.00 . A A . 14 PRO HG2 1 1 10 4613 1 1 15 PRO HG3 H -16.488 3.368 -3.385 1.00 . A A . 14 PRO HG3 1 1 10 4614 1 1 15 PRO N N -14.798 2.524 -1.127 1.00 . A A . 14 PRO N 1 1 10 4615 1 1 15 PRO O O -12.605 5.335 -0.761 1.00 . A A . 14 PRO O 1 1 10 4616 1 1 16 GLU C C -11.965 4.530 2.217 1.00 . A A . 15 GLU C 1 1 10 4617 1 1 16 GLU CA C -13.329 5.137 1.896 1.00 . A A . 15 GLU CA 1 1 10 4618 1 1 16 GLU CB C -14.231 5.080 3.125 1.00 . A A . 15 GLU CB 1 1 10 4619 1 1 16 GLU CD C -16.548 5.477 4.020 1.00 . A A . 15 GLU CD 1 1 10 4620 1 1 16 GLU CG C -15.553 5.791 2.929 1.00 . A A . 15 GLU CG 1 1 10 4621 1 1 16 GLU H H -14.718 3.840 0.961 1.00 . A A . 15 GLU H 1 1 10 4622 1 1 16 GLU HA H -13.191 6.167 1.611 1.00 . A A . 15 GLU HA 1 1 10 4623 1 1 16 GLU HB2 H -14.438 4.047 3.358 1.00 . A A . 15 GLU HB2 1 1 10 4624 1 1 16 GLU HB3 H -13.719 5.535 3.958 1.00 . A A . 15 GLU HB3 1 1 10 4625 1 1 16 GLU HG2 H -15.376 6.856 2.921 1.00 . A A . 15 GLU HG2 1 1 10 4626 1 1 16 GLU HG3 H -15.970 5.489 1.984 1.00 . A A . 15 GLU HG3 1 1 10 4627 1 1 16 GLU N N -13.968 4.447 0.783 1.00 . A A . 15 GLU N 1 1 10 4628 1 1 16 GLU O O -10.970 5.244 2.357 1.00 . A A . 15 GLU O 1 1 10 4629 1 1 16 GLU OE1 O -17.084 4.349 4.025 1.00 . A A . 15 GLU OE1 1 1 10 4630 1 1 16 GLU OE2 O -16.804 6.356 4.869 1.00 . A A . 15 GLU OE2 1 1 10 4631 1 1 17 LYS C C -9.766 2.382 1.489 1.00 . A A . 16 LYS C 1 1 10 4632 1 1 17 LYS CA C -10.694 2.520 2.692 1.00 . A A . 16 LYS CA 1 1 10 4633 1 1 17 LYS CB C -11.022 1.145 3.280 1.00 . A A . 16 LYS CB 1 1 10 4634 1 1 17 LYS CD C -10.211 -0.912 4.466 1.00 . A A . 16 LYS CD 1 1 10 4635 1 1 17 LYS CE C -9.057 -1.566 5.209 1.00 . A A . 16 LYS CE 1 1 10 4636 1 1 17 LYS CG C -9.840 0.469 3.955 1.00 . A A . 16 LYS CG 1 1 10 4637 1 1 17 LYS H H -12.715 2.685 2.105 1.00 . A A . 16 LYS H 1 1 10 4638 1 1 17 LYS HA H -10.203 3.117 3.445 1.00 . A A . 16 LYS HA 1 1 10 4639 1 1 17 LYS HB2 H -11.808 1.258 4.013 1.00 . A A . 16 LYS HB2 1 1 10 4640 1 1 17 LYS HB3 H -11.372 0.500 2.483 1.00 . A A . 16 LYS HB3 1 1 10 4641 1 1 17 LYS HD2 H -11.052 -0.822 5.137 1.00 . A A . 16 LYS HD2 1 1 10 4642 1 1 17 LYS HD3 H -10.486 -1.533 3.626 1.00 . A A . 16 LYS HD3 1 1 10 4643 1 1 17 LYS HE2 H -8.821 -0.968 6.076 1.00 . A A . 16 LYS HE2 1 1 10 4644 1 1 17 LYS HE3 H -9.362 -2.552 5.527 1.00 . A A . 16 LYS HE3 1 1 10 4645 1 1 17 LYS HG2 H -9.035 0.375 3.242 1.00 . A A . 16 LYS HG2 1 1 10 4646 1 1 17 LYS HG3 H -9.517 1.077 4.787 1.00 . A A . 16 LYS HG3 1 1 10 4647 1 1 17 LYS HZ1 H -8.068 -2.156 3.466 1.00 . A A . 16 LYS HZ1 1 1 10 4648 1 1 17 LYS HZ2 H -7.116 -2.246 4.855 1.00 . A A . 16 LYS HZ2 1 1 10 4649 1 1 17 LYS HZ3 H -7.450 -0.744 4.157 1.00 . A A . 16 LYS HZ3 1 1 10 4650 1 1 17 LYS N N -11.916 3.209 2.311 1.00 . A A . 16 LYS N 1 1 10 4651 1 1 17 LYS NZ N -7.839 -1.685 4.362 1.00 . A A . 16 LYS NZ 1 1 10 4652 1 1 17 LYS O O -8.554 2.248 1.640 1.00 . A A . 16 LYS O 1 1 10 4653 1 1 18 LEU C C -8.671 3.594 -1.056 1.00 . A A . 17 LEU C 1 1 10 4654 1 1 18 LEU CA C -9.582 2.374 -0.944 1.00 . A A . 17 LEU CA 1 1 10 4655 1 1 18 LEU CB C -10.536 2.305 -2.140 1.00 . A A . 17 LEU CB 1 1 10 4656 1 1 18 LEU CD1 C -9.078 0.845 -3.566 1.00 . A A . 17 LEU CD1 1 1 10 4657 1 1 18 LEU CD2 C -10.944 2.139 -4.591 1.00 . A A . 17 LEU CD2 1 1 10 4658 1 1 18 LEU CG C -9.881 2.135 -3.509 1.00 . A A . 17 LEU CG 1 1 10 4659 1 1 18 LEU H H -11.326 2.502 0.248 1.00 . A A . 17 LEU H 1 1 10 4660 1 1 18 LEU HA H -8.978 1.483 -0.922 1.00 . A A . 17 LEU HA 1 1 10 4661 1 1 18 LEU HB2 H -11.209 1.473 -1.989 1.00 . A A . 17 LEU HB2 1 1 10 4662 1 1 18 LEU HB3 H -11.117 3.215 -2.158 1.00 . A A . 17 LEU HB3 1 1 10 4663 1 1 18 LEU HD11 H -8.612 0.753 -4.536 1.00 . A A . 17 LEU HD11 1 1 10 4664 1 1 18 LEU HD12 H -9.738 0.006 -3.403 1.00 . A A . 17 LEU HD12 1 1 10 4665 1 1 18 LEU HD13 H -8.319 0.859 -2.801 1.00 . A A . 17 LEU HD13 1 1 10 4666 1 1 18 LEU HD21 H -11.629 1.320 -4.417 1.00 . A A . 17 LEU HD21 1 1 10 4667 1 1 18 LEU HD22 H -10.477 2.022 -5.556 1.00 . A A . 17 LEU HD22 1 1 10 4668 1 1 18 LEU HD23 H -11.485 3.073 -4.560 1.00 . A A . 17 LEU HD23 1 1 10 4669 1 1 18 LEU HG H -9.209 2.960 -3.691 1.00 . A A . 17 LEU HG 1 1 10 4670 1 1 18 LEU N N -10.345 2.432 0.297 1.00 . A A . 17 LEU N 1 1 10 4671 1 1 18 LEU O O -7.548 3.506 -1.555 1.00 . A A . 17 LEU O 1 1 10 4672 1 1 19 ALA C C -7.269 5.849 0.489 1.00 . A A . 18 ALA C 1 1 10 4673 1 1 19 ALA CA C -8.385 5.952 -0.543 1.00 . A A . 18 ALA CA 1 1 10 4674 1 1 19 ALA CB C -9.286 7.134 -0.245 1.00 . A A . 18 ALA CB 1 1 10 4675 1 1 19 ALA H H -10.078 4.734 -0.223 1.00 . A A . 18 ALA H 1 1 10 4676 1 1 19 ALA HA H -7.951 6.093 -1.521 1.00 . A A . 18 ALA HA 1 1 10 4677 1 1 19 ALA HB1 H -10.062 7.190 -0.994 1.00 . A A . 18 ALA HB1 1 1 10 4678 1 1 19 ALA HB2 H -8.705 8.043 -0.258 1.00 . A A . 18 ALA HB2 1 1 10 4679 1 1 19 ALA HB3 H -9.735 7.005 0.729 1.00 . A A . 18 ALA HB3 1 1 10 4680 1 1 19 ALA N N -9.163 4.725 -0.570 1.00 . A A . 18 ALA N 1 1 10 4681 1 1 19 ALA O O -6.139 6.281 0.248 1.00 . A A . 18 ALA O 1 1 10 4682 1 1 20 LYS C C -5.532 4.062 2.130 1.00 . A A . 19 LYS C 1 1 10 4683 1 1 20 LYS CA C -6.612 4.990 2.677 1.00 . A A . 19 LYS CA 1 1 10 4684 1 1 20 LYS CB C -7.288 4.350 3.895 1.00 . A A . 19 LYS CB 1 1 10 4685 1 1 20 LYS CD C -7.021 3.194 6.119 1.00 . A A . 19 LYS CD 1 1 10 4686 1 1 20 LYS CE C -7.953 4.118 6.891 1.00 . A A . 19 LYS CE 1 1 10 4687 1 1 20 LYS CG C -6.313 3.916 4.980 1.00 . A A . 19 LYS CG 1 1 10 4688 1 1 20 LYS H H -8.533 5.026 1.795 1.00 . A A . 19 LYS H 1 1 10 4689 1 1 20 LYS HA H -6.158 5.925 2.970 1.00 . A A . 19 LYS HA 1 1 10 4690 1 1 20 LYS HB2 H -7.979 5.061 4.323 1.00 . A A . 19 LYS HB2 1 1 10 4691 1 1 20 LYS HB3 H -7.838 3.479 3.571 1.00 . A A . 19 LYS HB3 1 1 10 4692 1 1 20 LYS HD2 H -7.600 2.380 5.709 1.00 . A A . 19 LYS HD2 1 1 10 4693 1 1 20 LYS HD3 H -6.279 2.800 6.797 1.00 . A A . 19 LYS HD3 1 1 10 4694 1 1 20 LYS HE2 H -8.661 4.552 6.203 1.00 . A A . 19 LYS HE2 1 1 10 4695 1 1 20 LYS HE3 H -8.482 3.537 7.632 1.00 . A A . 19 LYS HE3 1 1 10 4696 1 1 20 LYS HG2 H -5.583 3.250 4.544 1.00 . A A . 19 LYS HG2 1 1 10 4697 1 1 20 LYS HG3 H -5.815 4.790 5.374 1.00 . A A . 19 LYS HG3 1 1 10 4698 1 1 20 LYS HZ1 H -7.870 5.807 8.111 1.00 . A A . 19 LYS HZ1 1 1 10 4699 1 1 20 LYS HZ2 H -6.720 5.800 6.875 1.00 . A A . 19 LYS HZ2 1 1 10 4700 1 1 20 LYS HZ3 H -6.509 4.812 8.228 1.00 . A A . 19 LYS HZ3 1 1 10 4701 1 1 20 LYS N N -7.598 5.270 1.640 1.00 . A A . 19 LYS N 1 1 10 4702 1 1 20 LYS NZ N -7.212 5.210 7.572 1.00 . A A . 19 LYS NZ 1 1 10 4703 1 1 20 LYS O O -4.341 4.238 2.394 1.00 . A A . 19 LYS O 1 1 10 4704 1 1 21 4PH C33 C -2.913 -2.831 -2.819 1.00 . A A . 20 4PH C33 1 1 10 4705 1 1 21 4PH H33 H -3.003 -3.776 -2.306 1.00 . A A . 20 4PH H33 1 1 10 4706 1 1 21 4PH H33A H -3.271 -2.928 -3.832 1.00 . A A . 20 4PH H33A 1 1 10 4707 1 1 21 4PH H33B H -1.874 -2.528 -2.826 1.00 . A A . 20 4PH H33B 1 1 10 4708 1 1 22 GLN C C -2.749 5.354 -1.232 1.00 . A A . 21 GLN C 1 1 10 4709 1 1 22 GLN CA C -3.820 4.556 -1.972 1.00 . A A . 21 GLN CA 1 1 10 4710 1 1 22 GLN CB C -4.693 5.506 -2.794 1.00 . A A . 21 GLN CB 1 1 10 4711 1 1 22 GLN CD C -4.795 4.114 -4.895 1.00 . A A . 21 GLN CD 1 1 10 4712 1 1 22 GLN CG C -5.588 4.797 -3.797 1.00 . A A . 21 GLN CG 1 1 10 4713 1 1 22 GLN H H -5.618 3.906 -1.048 1.00 . A A . 21 GLN H 1 1 10 4714 1 1 22 GLN HA H -3.333 3.865 -2.643 1.00 . A A . 21 GLN HA 1 1 10 4715 1 1 22 GLN HB2 H -5.320 6.072 -2.122 1.00 . A A . 21 GLN HB2 1 1 10 4716 1 1 22 GLN HB3 H -4.053 6.188 -3.335 1.00 . A A . 21 GLN HB3 1 1 10 4717 1 1 22 GLN HE21 H -4.677 2.446 -3.829 1.00 . A A . 21 GLN HE21 1 1 10 4718 1 1 22 GLN HE22 H -3.909 2.406 -5.372 1.00 . A A . 21 GLN HE22 1 1 10 4719 1 1 22 GLN HG2 H -6.169 4.052 -3.276 1.00 . A A . 21 GLN HG2 1 1 10 4720 1 1 22 GLN HG3 H -6.249 5.524 -4.247 1.00 . A A . 21 GLN HG3 1 1 10 4721 1 1 22 GLN N N -4.644 3.773 -1.050 1.00 . A A . 21 GLN N 1 1 10 4722 1 1 22 GLN NE2 N -4.425 2.863 -4.676 1.00 . A A . 21 GLN NE2 1 1 10 4723 1 1 22 GLN O O -1.621 5.483 -1.710 1.00 . A A . 21 GLN O 1 1 10 4724 1 1 22 GLN OE1 O -4.512 4.712 -5.932 1.00 . A A . 21 GLN OE1 1 1 10 4725 1 1 23 ALA C C -1.039 5.786 1.261 1.00 . A A . 22 ALA C 1 1 10 4726 1 1 23 ALA CA C -2.175 6.659 0.737 1.00 . A A . 22 ALA CA 1 1 10 4727 1 1 23 ALA CB C -2.913 7.322 1.885 1.00 . A A . 22 ALA CB 1 1 10 4728 1 1 23 ALA H H -4.011 5.726 0.270 1.00 . A A . 22 ALA H 1 1 10 4729 1 1 23 ALA HA H -1.762 7.432 0.109 1.00 . A A . 22 ALA HA 1 1 10 4730 1 1 23 ALA HB1 H -2.224 7.926 2.457 1.00 . A A . 22 ALA HB1 1 1 10 4731 1 1 23 ALA HB2 H -3.342 6.562 2.521 1.00 . A A . 22 ALA HB2 1 1 10 4732 1 1 23 ALA HB3 H -3.700 7.947 1.492 1.00 . A A . 22 ALA HB3 1 1 10 4733 1 1 23 ALA N N -3.102 5.875 -0.064 1.00 . A A . 22 ALA N 1 1 10 4734 1 1 23 ALA O O 0.117 6.207 1.307 1.00 . A A . 22 ALA O 1 1 10 4735 1 1 24 ASP C C 0.506 3.135 0.975 1.00 . A A . 23 ASP C 1 1 10 4736 1 1 24 ASP CA C -0.381 3.607 2.122 1.00 . A A . 23 ASP CA 1 1 10 4737 1 1 24 ASP CB C -1.057 2.410 2.801 1.00 . A A . 23 ASP CB 1 1 10 4738 1 1 24 ASP CG C -0.066 1.348 3.244 1.00 . A A . 23 ASP CG 1 1 10 4739 1 1 24 ASP H H -2.318 4.289 1.582 1.00 . A A . 23 ASP H 1 1 10 4740 1 1 24 ASP HA H 0.237 4.120 2.846 1.00 . A A . 23 ASP HA 1 1 10 4741 1 1 24 ASP HB2 H -1.595 2.753 3.672 1.00 . A A . 23 ASP HB2 1 1 10 4742 1 1 24 ASP HB3 H -1.755 1.958 2.110 1.00 . A A . 23 ASP HB3 1 1 10 4743 1 1 24 ASP N N -1.377 4.560 1.635 1.00 . A A . 23 ASP N 1 1 10 4744 1 1 24 ASP O O 1.695 2.889 1.161 1.00 . A A . 23 ASP O 1 1 10 4745 1 1 24 ASP OD1 O 0.709 1.602 4.194 1.00 . A A . 23 ASP OD1 1 1 10 4746 1 1 24 ASP OD2 O -0.075 0.244 2.665 1.00 . A A . 23 ASP OD2 1 1 10 4747 1 1 25 LEU C C 1.732 3.710 -1.740 1.00 . A A . 24 LEU C 1 1 10 4748 1 1 25 LEU CA C 0.684 2.663 -1.411 1.00 . A A . 24 LEU CA 1 1 10 4749 1 1 25 LEU CB C -0.234 2.451 -2.620 1.00 . A A . 24 LEU CB 1 1 10 4750 1 1 25 LEU CD1 C 0.271 0.091 -3.304 1.00 . A A . 24 LEU CD1 1 1 10 4751 1 1 25 LEU CD2 C -1.361 0.525 -1.475 1.00 . A A . 24 LEU CD2 1 1 10 4752 1 1 25 LEU CG C -0.801 1.037 -2.786 1.00 . A A . 24 LEU CG 1 1 10 4753 1 1 25 LEU H H -1.038 3.207 -0.299 1.00 . A A . 24 LEU H 1 1 10 4754 1 1 25 LEU HA H 1.186 1.734 -1.193 1.00 . A A . 24 LEU HA 1 1 10 4755 1 1 25 LEU HB2 H -1.066 3.137 -2.535 1.00 . A A . 24 LEU HB2 1 1 10 4756 1 1 25 LEU HB3 H 0.323 2.695 -3.512 1.00 . A A . 24 LEU HB3 1 1 10 4757 1 1 25 LEU HD11 H 0.604 0.423 -4.278 1.00 . A A . 24 LEU HD11 1 1 10 4758 1 1 25 LEU HD12 H -0.137 -0.907 -3.384 1.00 . A A . 24 LEU HD12 1 1 10 4759 1 1 25 LEU HD13 H 1.109 0.084 -2.623 1.00 . A A . 24 LEU HD13 1 1 10 4760 1 1 25 LEU HD21 H -0.591 0.547 -0.719 1.00 . A A . 24 LEU HD21 1 1 10 4761 1 1 25 LEU HD22 H -1.712 -0.489 -1.605 1.00 . A A . 24 LEU HD22 1 1 10 4762 1 1 25 LEU HD23 H -2.185 1.152 -1.168 1.00 . A A . 24 LEU HD23 1 1 10 4763 1 1 25 LEU HG H -1.604 1.060 -3.507 1.00 . A A . 24 LEU HG 1 1 10 4764 1 1 25 LEU N N -0.075 3.032 -0.219 1.00 . A A . 24 LEU N 1 1 10 4765 1 1 25 LEU O O 2.803 3.382 -2.238 1.00 . A A . 24 LEU O 1 1 10 4766 1 1 26 ALA C C 3.601 5.843 -0.798 1.00 . A A . 25 ALA C 1 1 10 4767 1 1 26 ALA CA C 2.373 6.046 -1.675 1.00 . A A . 25 ALA CA 1 1 10 4768 1 1 26 ALA CB C 1.720 7.389 -1.389 1.00 . A A . 25 ALA CB 1 1 10 4769 1 1 26 ALA H H 0.532 5.173 -1.099 1.00 . A A . 25 ALA H 1 1 10 4770 1 1 26 ALA HA H 2.675 6.027 -2.713 1.00 . A A . 25 ALA HA 1 1 10 4771 1 1 26 ALA HB1 H 1.429 7.433 -0.350 1.00 . A A . 25 ALA HB1 1 1 10 4772 1 1 26 ALA HB2 H 0.844 7.502 -2.011 1.00 . A A . 25 ALA HB2 1 1 10 4773 1 1 26 ALA HB3 H 2.419 8.183 -1.603 1.00 . A A . 25 ALA HB3 1 1 10 4774 1 1 26 ALA N N 1.422 4.966 -1.460 1.00 . A A . 25 ALA N 1 1 10 4775 1 1 26 ALA O O 4.734 6.007 -1.248 1.00 . A A . 25 ALA O 1 1 10 4776 1 1 27 LYS C C 5.184 3.910 0.983 1.00 . A A . 26 LYS C 1 1 10 4777 1 1 27 LYS CA C 4.446 5.181 1.378 1.00 . A A . 26 LYS CA 1 1 10 4778 1 1 27 LYS CB C 3.906 5.057 2.801 1.00 . A A . 26 LYS CB 1 1 10 4779 1 1 27 LYS CD C 2.832 6.191 4.764 1.00 . A A . 26 LYS CD 1 1 10 4780 1 1 27 LYS CE C 2.344 7.514 5.321 1.00 . A A . 26 LYS CE 1 1 10 4781 1 1 27 LYS CG C 3.360 6.360 3.351 1.00 . A A . 26 LYS CG 1 1 10 4782 1 1 27 LYS H H 2.437 5.341 0.745 1.00 . A A . 26 LYS H 1 1 10 4783 1 1 27 LYS HA H 5.132 6.010 1.334 1.00 . A A . 26 LYS HA 1 1 10 4784 1 1 27 LYS HB2 H 3.112 4.325 2.812 1.00 . A A . 26 LYS HB2 1 1 10 4785 1 1 27 LYS HB3 H 4.702 4.720 3.449 1.00 . A A . 26 LYS HB3 1 1 10 4786 1 1 27 LYS HD2 H 2.013 5.489 4.752 1.00 . A A . 26 LYS HD2 1 1 10 4787 1 1 27 LYS HD3 H 3.625 5.814 5.393 1.00 . A A . 26 LYS HD3 1 1 10 4788 1 1 27 LYS HE2 H 3.187 8.181 5.415 1.00 . A A . 26 LYS HE2 1 1 10 4789 1 1 27 LYS HE3 H 1.630 7.934 4.632 1.00 . A A . 26 LYS HE3 1 1 10 4790 1 1 27 LYS HG2 H 4.149 7.097 3.359 1.00 . A A . 26 LYS HG2 1 1 10 4791 1 1 27 LYS HG3 H 2.556 6.698 2.714 1.00 . A A . 26 LYS HG3 1 1 10 4792 1 1 27 LYS HZ1 H 2.376 6.956 7.331 1.00 . A A . 26 LYS HZ1 1 1 10 4793 1 1 27 LYS HZ2 H 0.876 6.731 6.584 1.00 . A A . 26 LYS HZ2 1 1 10 4794 1 1 27 LYS HZ3 H 1.386 8.287 7.002 1.00 . A A . 26 LYS HZ3 1 1 10 4795 1 1 27 LYS N N 3.364 5.452 0.447 1.00 . A A . 26 LYS N 1 1 10 4796 1 1 27 LYS NZ N 1.702 7.361 6.651 1.00 . A A . 26 LYS NZ 1 1 10 4797 1 1 27 LYS O O 6.412 3.866 1.004 1.00 . A A . 26 LYS O 1 1 10 4798 1 1 28 4PH C33 C 5.722 -4.175 -2.557 1.00 . A A . 27 4PH C33 1 1 10 4799 1 1 28 4PH H33 H 4.980 -4.528 -3.256 1.00 . A A . 27 4PH H33 1 1 10 4800 1 1 28 4PH H33A H 6.648 -3.978 -3.076 1.00 . A A . 27 4PH H33A 1 1 10 4801 1 1 28 4PH H33B H 5.881 -4.932 -1.799 1.00 . A A . 27 4PH H33B 1 1 10 4802 1 1 29 GLN C C 7.469 3.410 -2.983 1.00 . A A . 28 GLN C 1 1 10 4803 1 1 29 GLN CA C 6.175 2.655 -3.269 1.00 . A A . 28 GLN CA 1 1 10 4804 1 1 29 GLN CB C 5.346 3.416 -4.310 1.00 . A A . 28 GLN CB 1 1 10 4805 1 1 29 GLN CD C 3.274 3.456 -5.750 1.00 . A A . 28 GLN CD 1 1 10 4806 1 1 29 GLN CG C 4.176 2.618 -4.868 1.00 . A A . 28 GLN CG 1 1 10 4807 1 1 29 GLN H H 4.502 2.837 -1.977 1.00 . A A . 28 GLN H 1 1 10 4808 1 1 29 GLN HA H 6.422 1.681 -3.661 1.00 . A A . 28 GLN HA 1 1 10 4809 1 1 29 GLN HB2 H 4.952 4.315 -3.853 1.00 . A A . 28 GLN HB2 1 1 10 4810 1 1 29 GLN HB3 H 5.991 3.697 -5.132 1.00 . A A . 28 GLN HB3 1 1 10 4811 1 1 29 GLN HE21 H 2.209 4.002 -4.171 1.00 . A A . 28 GLN HE21 1 1 10 4812 1 1 29 GLN HE22 H 1.693 4.657 -5.683 1.00 . A A . 28 GLN HE22 1 1 10 4813 1 1 29 GLN HG2 H 4.558 1.795 -5.454 1.00 . A A . 28 GLN HG2 1 1 10 4814 1 1 29 GLN HG3 H 3.591 2.229 -4.047 1.00 . A A . 28 GLN HG3 1 1 10 4815 1 1 29 GLN N N 5.406 2.457 -2.044 1.00 . A A . 28 GLN N 1 1 10 4816 1 1 29 GLN NE2 N 2.294 4.102 -5.141 1.00 . A A . 28 GLN NE2 1 1 10 4817 1 1 29 GLN O O 8.543 3.028 -3.456 1.00 . A A . 28 GLN O 1 1 10 4818 1 1 29 GLN OE1 O 3.458 3.528 -6.966 1.00 . A A . 28 GLN OE1 1 1 10 4819 1 1 30 LYS C C 9.502 4.532 -0.987 1.00 . A A . 29 LYS C 1 1 10 4820 1 1 30 LYS CA C 8.491 5.303 -1.834 1.00 . A A . 29 LYS CA 1 1 10 4821 1 1 30 LYS CB C 7.979 6.534 -1.081 1.00 . A A . 29 LYS CB 1 1 10 4822 1 1 30 LYS CD C 8.447 8.748 -0.010 1.00 . A A . 29 LYS CD 1 1 10 4823 1 1 30 LYS CE C 7.501 8.421 1.138 1.00 . A A . 29 LYS CE 1 1 10 4824 1 1 30 LYS CG C 9.059 7.490 -0.609 1.00 . A A . 29 LYS CG 1 1 10 4825 1 1 30 LYS H H 6.470 4.691 -1.829 1.00 . A A . 29 LYS H 1 1 10 4826 1 1 30 LYS HA H 8.969 5.623 -2.746 1.00 . A A . 29 LYS HA 1 1 10 4827 1 1 30 LYS HB2 H 7.309 7.081 -1.727 1.00 . A A . 29 LYS HB2 1 1 10 4828 1 1 30 LYS HB3 H 7.428 6.198 -0.217 1.00 . A A . 29 LYS HB3 1 1 10 4829 1 1 30 LYS HD2 H 9.239 9.381 0.360 1.00 . A A . 29 LYS HD2 1 1 10 4830 1 1 30 LYS HD3 H 7.897 9.271 -0.779 1.00 . A A . 29 LYS HD3 1 1 10 4831 1 1 30 LYS HE2 H 6.788 7.685 0.803 1.00 . A A . 29 LYS HE2 1 1 10 4832 1 1 30 LYS HE3 H 8.078 8.016 1.957 1.00 . A A . 29 LYS HE3 1 1 10 4833 1 1 30 LYS HG2 H 9.660 6.999 0.142 1.00 . A A . 29 LYS HG2 1 1 10 4834 1 1 30 LYS HG3 H 9.680 7.764 -1.449 1.00 . A A . 29 LYS HG3 1 1 10 4835 1 1 30 LYS HZ1 H 6.181 10.009 0.841 1.00 . A A . 29 LYS HZ1 1 1 10 4836 1 1 30 LYS HZ2 H 7.429 10.350 1.926 1.00 . A A . 29 LYS HZ2 1 1 10 4837 1 1 30 LYS HZ3 H 6.144 9.369 2.405 1.00 . A A . 29 LYS HZ3 1 1 10 4838 1 1 30 LYS N N 7.355 4.464 -2.190 1.00 . A A . 29 LYS N 1 1 10 4839 1 1 30 LYS NZ N 6.765 9.621 1.611 1.00 . A A . 29 LYS NZ 1 1 10 4840 1 1 30 LYS O O 10.709 4.586 -1.234 1.00 . A A . 29 LYS O 1 1 10 4841 1 1 31 ASP C C 10.463 1.830 0.190 1.00 . A A . 30 ASP C 1 1 10 4842 1 1 31 ASP CA C 9.867 3.044 0.901 1.00 . A A . 30 ASP CA 1 1 10 4843 1 1 31 ASP CB C 9.088 2.612 2.153 1.00 . A A . 30 ASP CB 1 1 10 4844 1 1 31 ASP CG C 9.983 2.040 3.233 1.00 . A A . 30 ASP CG 1 1 10 4845 1 1 31 ASP H H 8.026 3.758 0.117 1.00 . A A . 30 ASP H 1 1 10 4846 1 1 31 ASP HA H 10.674 3.696 1.199 1.00 . A A . 30 ASP HA 1 1 10 4847 1 1 31 ASP HB2 H 8.570 3.467 2.563 1.00 . A A . 30 ASP HB2 1 1 10 4848 1 1 31 ASP HB3 H 8.364 1.859 1.877 1.00 . A A . 30 ASP HB3 1 1 10 4849 1 1 31 ASP N N 9.003 3.796 -0.005 1.00 . A A . 30 ASP N 1 1 10 4850 1 1 31 ASP O O 11.588 1.418 0.481 1.00 . A A . 30 ASP O 1 1 10 4851 1 1 31 ASP OD1 O 10.853 2.770 3.740 1.00 . A A . 30 ASP OD1 1 1 10 4852 1 1 31 ASP OD2 O 9.824 0.848 3.575 1.00 . A A . 30 ASP OD2 1 1 10 4853 1 1 32 LEU C C 11.320 0.563 -2.445 1.00 . A A . 31 LEU C 1 1 10 4854 1 1 32 LEU CA C 10.163 0.140 -1.548 1.00 . A A . 31 LEU CA 1 1 10 4855 1 1 32 LEU CB C 8.998 -0.408 -2.394 1.00 . A A . 31 LEU CB 1 1 10 4856 1 1 32 LEU CD1 C 10.193 -2.062 -3.890 1.00 . A A . 31 LEU CD1 1 1 10 4857 1 1 32 LEU CD2 C 9.326 -2.784 -1.659 1.00 . A A . 31 LEU CD2 1 1 10 4858 1 1 32 LEU CG C 9.098 -1.872 -2.852 1.00 . A A . 31 LEU CG 1 1 10 4859 1 1 32 LEU H H 8.809 1.635 -0.917 1.00 . A A . 31 LEU H 1 1 10 4860 1 1 32 LEU HA H 10.507 -0.624 -0.873 1.00 . A A . 31 LEU HA 1 1 10 4861 1 1 32 LEU HB2 H 8.090 -0.303 -1.818 1.00 . A A . 31 LEU HB2 1 1 10 4862 1 1 32 LEU HB3 H 8.911 0.209 -3.275 1.00 . A A . 31 LEU HB3 1 1 10 4863 1 1 32 LEU HD11 H 9.990 -1.439 -4.748 1.00 . A A . 31 LEU HD11 1 1 10 4864 1 1 32 LEU HD12 H 10.221 -3.097 -4.195 1.00 . A A . 31 LEU HD12 1 1 10 4865 1 1 32 LEU HD13 H 11.145 -1.786 -3.461 1.00 . A A . 31 LEU HD13 1 1 10 4866 1 1 32 LEU HD21 H 10.298 -2.586 -1.235 1.00 . A A . 31 LEU HD21 1 1 10 4867 1 1 32 LEU HD22 H 9.273 -3.814 -1.978 1.00 . A A . 31 LEU HD22 1 1 10 4868 1 1 32 LEU HD23 H 8.563 -2.596 -0.915 1.00 . A A . 31 LEU HD23 1 1 10 4869 1 1 32 LEU HG H 8.161 -2.157 -3.309 1.00 . A A . 31 LEU HG 1 1 10 4870 1 1 32 LEU N N 9.710 1.276 -0.755 1.00 . A A . 31 LEU N 1 1 10 4871 1 1 32 LEU O O 12.315 -0.146 -2.567 1.00 . A A . 31 LEU O 1 1 10 4872 1 1 33 ALA C C 13.522 2.449 -3.193 1.00 . A A . 32 ALA C 1 1 10 4873 1 1 33 ALA CA C 12.208 2.267 -3.943 1.00 . A A . 32 ALA CA 1 1 10 4874 1 1 33 ALA CB C 11.748 3.590 -4.535 1.00 . A A . 32 ALA CB 1 1 10 4875 1 1 33 ALA H H 10.356 2.243 -2.927 1.00 . A A . 32 ALA H 1 1 10 4876 1 1 33 ALA HA H 12.356 1.568 -4.750 1.00 . A A . 32 ALA HA 1 1 10 4877 1 1 33 ALA HB1 H 11.605 4.309 -3.742 1.00 . A A . 32 ALA HB1 1 1 10 4878 1 1 33 ALA HB2 H 10.814 3.444 -5.059 1.00 . A A . 32 ALA HB2 1 1 10 4879 1 1 33 ALA HB3 H 12.495 3.956 -5.224 1.00 . A A . 32 ALA HB3 1 1 10 4880 1 1 33 ALA N N 11.179 1.730 -3.063 1.00 . A A . 32 ALA N 1 1 10 4881 1 1 33 ALA O O 14.589 2.074 -3.681 1.00 . A A . 32 ALA O 1 1 10 4882 1 1 34 ASP C C 15.196 1.906 -0.676 1.00 . A A . 33 ASP C 1 1 10 4883 1 1 34 ASP CA C 14.602 3.231 -1.158 1.00 . A A . 33 ASP CA 1 1 10 4884 1 1 34 ASP CB C 14.230 4.114 0.035 1.00 . A A . 33 ASP CB 1 1 10 4885 1 1 34 ASP CG C 15.387 4.332 0.987 1.00 . A A . 33 ASP CG 1 1 10 4886 1 1 34 ASP H H 12.548 3.296 -1.676 1.00 . A A . 33 ASP H 1 1 10 4887 1 1 34 ASP HA H 15.341 3.742 -1.755 1.00 . A A . 33 ASP HA 1 1 10 4888 1 1 34 ASP HB2 H 13.903 5.077 -0.327 1.00 . A A . 33 ASP HB2 1 1 10 4889 1 1 34 ASP HB3 H 13.424 3.647 0.581 1.00 . A A . 33 ASP HB3 1 1 10 4890 1 1 34 ASP N N 13.430 3.010 -1.998 1.00 . A A . 33 ASP N 1 1 10 4891 1 1 34 ASP O O 16.395 1.808 -0.413 1.00 . A A . 33 ASP O 1 1 10 4892 1 1 34 ASP OD1 O 16.330 5.062 0.620 1.00 . A A . 33 ASP OD1 1 1 10 4893 1 1 34 ASP OD2 O 15.363 3.771 2.103 1.00 . A A . 33 ASP OD2 1 1 10 4894 1 1 35 4PH C33 C 14.906 -6.297 2.551 1.00 . A A . 34 4PH C33 1 1 10 4895 1 1 35 4PH H33 H 15.102 -7.002 1.758 1.00 . A A . 34 4PH H33 1 1 10 4896 1 1 35 4PH H33A H 15.779 -6.204 3.179 1.00 . A A . 34 4PH H33A 1 1 10 4897 1 1 35 4PH H33B H 14.069 -6.650 3.138 1.00 . A A . 34 4PH H33B 1 1 10 4898 1 1 36 NH2 HN1 H 17.231 -0.982 -0.348 1.00 . A A . 35 NH2 HN1 1 1 10 4899 1 1 36 NH2 HN2 H 17.274 -1.798 -1.871 1.00 . A A . 35 NH2 HN2 1 1 10 4900 1 1 36 NH2 N N 16.796 -1.332 -1.154 1.00 . A A . 35 NH2 N 1 1 11 4901 1 1 1 ACE C C 12.505 -4.751 5.946 1.00 . A A . 0 ACE C 1 1 11 4902 1 1 1 ACE CH3 C 13.499 -3.663 5.659 1.00 . A A . 0 ACE CH3 1 1 11 4903 1 1 1 ACE H1 H 14.136 -3.981 4.841 1.00 . A A . 0 ACE H1 1 1 11 4904 1 1 1 ACE H2 H 14.101 -3.491 6.531 1.00 . A A . 0 ACE H2 1 1 11 4905 1 1 1 ACE H3 H 12.961 -2.756 5.407 1.00 . A A . 0 ACE H3 1 1 11 4906 1 1 1 ACE O O 11.669 -4.628 6.841 1.00 . A A . 0 ACE O 1 1 11 4907 1 1 2 PRO C C 10.753 -5.300 3.571 1.00 . A A . 1 PRO C 1 1 11 4908 1 1 2 PRO CA C 12.175 -5.824 3.758 1.00 . A A . 1 PRO CA 1 1 11 4909 1 1 2 PRO CB C 12.268 -7.299 3.339 1.00 . A A . 1 PRO CB 1 1 11 4910 1 1 2 PRO CD C 13.008 -7.166 5.606 1.00 . A A . 1 PRO CD 1 1 11 4911 1 1 2 PRO CG C 12.355 -8.078 4.608 1.00 . A A . 1 PRO CG 1 1 11 4912 1 1 2 PRO HA H 12.860 -5.232 3.170 1.00 . A A . 1 PRO HA 1 1 11 4913 1 1 2 PRO HB2 H 11.385 -7.577 2.776 1.00 . A A . 1 PRO HB2 1 1 11 4914 1 1 2 PRO HB3 H 13.157 -7.460 2.748 1.00 . A A . 1 PRO HB3 1 1 11 4915 1 1 2 PRO HD2 H 12.662 -7.383 6.606 1.00 . A A . 1 PRO HD2 1 1 11 4916 1 1 2 PRO HD3 H 14.086 -7.245 5.549 1.00 . A A . 1 PRO HD3 1 1 11 4917 1 1 2 PRO HG2 H 11.359 -8.351 4.938 1.00 . A A . 1 PRO HG2 1 1 11 4918 1 1 2 PRO HG3 H 12.961 -8.960 4.459 1.00 . A A . 1 PRO HG3 1 1 11 4919 1 1 2 PRO N N 12.558 -5.840 5.171 1.00 . A A . 1 PRO N 1 1 11 4920 1 1 2 PRO O O 9.819 -5.789 4.206 1.00 . A A . 1 PRO O 1 1 11 4921 1 1 3 PRO C C 8.329 -4.537 1.680 1.00 . A A . 2 PRO C 1 1 11 4922 1 1 3 PRO CA C 9.269 -3.666 2.506 1.00 . A A . 2 PRO CA 1 1 11 4923 1 1 3 PRO CB C 9.598 -2.365 1.770 1.00 . A A . 2 PRO CB 1 1 11 4924 1 1 3 PRO CD C 11.609 -3.712 1.835 1.00 . A A . 2 PRO CD 1 1 11 4925 1 1 3 PRO CG C 10.908 -2.596 1.097 1.00 . A A . 2 PRO CG 1 1 11 4926 1 1 3 PRO HA H 8.799 -3.439 3.455 1.00 . A A . 2 PRO HA 1 1 11 4927 1 1 3 PRO HB2 H 8.824 -2.149 1.041 1.00 . A A . 2 PRO HB2 1 1 11 4928 1 1 3 PRO HB3 H 9.685 -1.551 2.475 1.00 . A A . 2 PRO HB3 1 1 11 4929 1 1 3 PRO HD2 H 11.976 -4.448 1.136 1.00 . A A . 2 PRO HD2 1 1 11 4930 1 1 3 PRO HD3 H 12.426 -3.320 2.425 1.00 . A A . 2 PRO HD3 1 1 11 4931 1 1 3 PRO HG2 H 10.739 -2.875 0.066 1.00 . A A . 2 PRO HG2 1 1 11 4932 1 1 3 PRO HG3 H 11.504 -1.696 1.147 1.00 . A A . 2 PRO HG3 1 1 11 4933 1 1 3 PRO N N 10.570 -4.294 2.703 1.00 . A A . 2 PRO N 1 1 11 4934 1 1 3 PRO O O 8.504 -4.694 0.469 1.00 . A A . 2 PRO O 1 1 11 4935 1 1 4 THR C C 5.166 -5.167 1.261 1.00 . A A . 3 THR C 1 1 11 4936 1 1 4 THR CA C 6.384 -5.975 1.690 1.00 . A A . 3 THR CA 1 1 11 4937 1 1 4 THR CB C 5.953 -7.124 2.622 1.00 . A A . 3 THR CB 1 1 11 4938 1 1 4 THR CG2 C 7.084 -8.120 2.812 1.00 . A A . 3 THR CG2 1 1 11 4939 1 1 4 THR H H 7.267 -4.968 3.311 1.00 . A A . 3 THR H 1 1 11 4940 1 1 4 THR HA H 6.850 -6.401 0.814 1.00 . A A . 3 THR HA 1 1 11 4941 1 1 4 THR HB H 5.113 -7.636 2.177 1.00 . A A . 3 THR HB 1 1 11 4942 1 1 4 THR HG1 H 5.965 -7.121 4.598 1.00 . A A . 3 THR HG1 1 1 11 4943 1 1 4 THR HG21 H 6.755 -8.919 3.461 1.00 . A A . 3 THR HG21 1 1 11 4944 1 1 4 THR HG22 H 7.933 -7.623 3.256 1.00 . A A . 3 THR HG22 1 1 11 4945 1 1 4 THR HG23 H 7.366 -8.529 1.855 1.00 . A A . 3 THR HG23 1 1 11 4946 1 1 4 THR N N 7.350 -5.120 2.345 1.00 . A A . 3 THR N 1 1 11 4947 1 1 4 THR O O 4.730 -4.256 1.974 1.00 . A A . 3 THR O 1 1 11 4948 1 1 4 THR OG1 O 5.560 -6.598 3.895 1.00 . A A . 3 THR OG1 1 1 11 4949 1 1 5 LYS C C 2.214 -5.239 0.321 1.00 . A A . 4 LYS C 1 1 11 4950 1 1 5 LYS CA C 3.465 -4.766 -0.411 1.00 . A A . 4 LYS CA 1 1 11 4951 1 1 5 LYS CB C 3.304 -4.958 -1.928 1.00 . A A . 4 LYS CB 1 1 11 4952 1 1 5 LYS CD C 2.720 -6.470 -3.843 1.00 . A A . 4 LYS CD 1 1 11 4953 1 1 5 LYS CE C 2.120 -7.803 -4.261 1.00 . A A . 4 LYS CE 1 1 11 4954 1 1 5 LYS CG C 2.775 -6.321 -2.331 1.00 . A A . 4 LYS CG 1 1 11 4955 1 1 5 LYS H H 5.031 -6.193 -0.447 1.00 . A A . 4 LYS H 1 1 11 4956 1 1 5 LYS HA H 3.610 -3.717 -0.202 1.00 . A A . 4 LYS HA 1 1 11 4957 1 1 5 LYS HB2 H 2.621 -4.209 -2.305 1.00 . A A . 4 LYS HB2 1 1 11 4958 1 1 5 LYS HB3 H 4.266 -4.821 -2.401 1.00 . A A . 4 LYS HB3 1 1 11 4959 1 1 5 LYS HD2 H 2.116 -5.673 -4.251 1.00 . A A . 4 LYS HD2 1 1 11 4960 1 1 5 LYS HD3 H 3.723 -6.399 -4.235 1.00 . A A . 4 LYS HD3 1 1 11 4961 1 1 5 LYS HE2 H 1.099 -7.851 -3.913 1.00 . A A . 4 LYS HE2 1 1 11 4962 1 1 5 LYS HE3 H 2.133 -7.864 -5.339 1.00 . A A . 4 LYS HE3 1 1 11 4963 1 1 5 LYS HG2 H 3.425 -7.081 -1.925 1.00 . A A . 4 LYS HG2 1 1 11 4964 1 1 5 LYS HG3 H 1.779 -6.439 -1.928 1.00 . A A . 4 LYS HG3 1 1 11 4965 1 1 5 LYS HZ1 H 2.460 -9.849 -4.038 1.00 . A A . 4 LYS HZ1 1 1 11 4966 1 1 5 LYS HZ2 H 2.836 -8.939 -2.666 1.00 . A A . 4 LYS HZ2 1 1 11 4967 1 1 5 LYS HZ3 H 3.871 -8.914 -4.005 1.00 . A A . 4 LYS HZ3 1 1 11 4968 1 1 5 LYS N N 4.632 -5.477 0.089 1.00 . A A . 4 LYS N 1 1 11 4969 1 1 5 LYS NZ N 2.876 -8.955 -3.703 1.00 . A A . 4 LYS NZ 1 1 11 4970 1 1 5 LYS O O 2.105 -6.414 0.681 1.00 . A A . 4 LYS O 1 1 11 4971 1 1 6 PRO C C -0.891 -5.505 0.322 1.00 . A A . 5 PRO C 1 1 11 4972 1 1 6 PRO CA C 0.007 -4.672 1.231 1.00 . A A . 5 PRO CA 1 1 11 4973 1 1 6 PRO CB C -0.629 -3.312 1.515 1.00 . A A . 5 PRO CB 1 1 11 4974 1 1 6 PRO CD C 1.361 -2.885 0.274 1.00 . A A . 5 PRO CD 1 1 11 4975 1 1 6 PRO CG C -0.038 -2.393 0.504 1.00 . A A . 5 PRO CG 1 1 11 4976 1 1 6 PRO HA H 0.168 -5.202 2.157 1.00 . A A . 5 PRO HA 1 1 11 4977 1 1 6 PRO HB2 H -1.701 -3.379 1.405 1.00 . A A . 5 PRO HB2 1 1 11 4978 1 1 6 PRO HB3 H -0.372 -2.982 2.508 1.00 . A A . 5 PRO HB3 1 1 11 4979 1 1 6 PRO HD2 H 1.652 -2.727 -0.755 1.00 . A A . 5 PRO HD2 1 1 11 4980 1 1 6 PRO HD3 H 2.051 -2.392 0.945 1.00 . A A . 5 PRO HD3 1 1 11 4981 1 1 6 PRO HG2 H -0.611 -2.439 -0.413 1.00 . A A . 5 PRO HG2 1 1 11 4982 1 1 6 PRO HG3 H -0.018 -1.385 0.887 1.00 . A A . 5 PRO HG3 1 1 11 4983 1 1 6 PRO N N 1.270 -4.327 0.581 1.00 . A A . 5 PRO N 1 1 11 4984 1 1 6 PRO O O -0.768 -5.460 -0.904 1.00 . A A . 5 PRO O 1 1 11 4985 1 1 7 THR C C -3.747 -6.273 -0.546 1.00 . A A . 6 THR C 1 1 11 4986 1 1 7 THR CA C -2.697 -7.116 0.181 1.00 . A A . 6 THR CA 1 1 11 4987 1 1 7 THR CB C -3.380 -8.161 1.097 1.00 . A A . 6 THR CB 1 1 11 4988 1 1 7 THR CG2 C -4.188 -7.492 2.197 1.00 . A A . 6 THR CG2 1 1 11 4989 1 1 7 THR H H -1.831 -6.260 1.909 1.00 . A A . 6 THR H 1 1 11 4990 1 1 7 THR HA H -2.116 -7.647 -0.558 1.00 . A A . 6 THR HA 1 1 11 4991 1 1 7 THR HB H -2.609 -8.759 1.559 1.00 . A A . 6 THR HB 1 1 11 4992 1 1 7 THR HG1 H -5.134 -8.969 0.675 1.00 . A A . 6 THR HG1 1 1 11 4993 1 1 7 THR HG21 H -4.938 -6.856 1.753 1.00 . A A . 6 THR HG21 1 1 11 4994 1 1 7 THR HG22 H -3.533 -6.899 2.816 1.00 . A A . 6 THR HG22 1 1 11 4995 1 1 7 THR HG23 H -4.668 -8.248 2.801 1.00 . A A . 6 THR HG23 1 1 11 4996 1 1 7 THR N N -1.785 -6.268 0.930 1.00 . A A . 6 THR N 1 1 11 4997 1 1 7 THR O O -4.193 -5.236 -0.045 1.00 . A A . 6 THR O 1 1 11 4998 1 1 7 THR OG1 O -4.233 -9.024 0.331 1.00 . A A . 6 THR OG1 1 1 11 4999 1 1 8 LYS C C -6.476 -6.082 -1.981 1.00 . A A . 7 LYS C 1 1 11 5000 1 1 8 LYS CA C -5.070 -6.005 -2.579 1.00 . A A . 7 LYS CA 1 1 11 5001 1 1 8 LYS CB C -5.078 -6.604 -3.991 1.00 . A A . 7 LYS CB 1 1 11 5002 1 1 8 LYS CD C -3.092 -5.318 -4.871 1.00 . A A . 7 LYS CD 1 1 11 5003 1 1 8 LYS CE C -1.728 -5.423 -5.538 1.00 . A A . 7 LYS CE 1 1 11 5004 1 1 8 LYS CG C -3.704 -6.689 -4.643 1.00 . A A . 7 LYS CG 1 1 11 5005 1 1 8 LYS H H -3.725 -7.556 -2.068 1.00 . A A . 7 LYS H 1 1 11 5006 1 1 8 LYS HA H -4.763 -4.973 -2.636 1.00 . A A . 7 LYS HA 1 1 11 5007 1 1 8 LYS HB2 H -5.488 -7.601 -3.941 1.00 . A A . 7 LYS HB2 1 1 11 5008 1 1 8 LYS HB3 H -5.712 -5.997 -4.620 1.00 . A A . 7 LYS HB3 1 1 11 5009 1 1 8 LYS HD2 H -3.749 -4.738 -5.504 1.00 . A A . 7 LYS HD2 1 1 11 5010 1 1 8 LYS HD3 H -2.977 -4.828 -3.917 1.00 . A A . 7 LYS HD3 1 1 11 5011 1 1 8 LYS HE2 H -1.059 -5.950 -4.874 1.00 . A A . 7 LYS HE2 1 1 11 5012 1 1 8 LYS HE3 H -1.833 -5.981 -6.456 1.00 . A A . 7 LYS HE3 1 1 11 5013 1 1 8 LYS HG2 H -3.049 -7.254 -3.999 1.00 . A A . 7 LYS HG2 1 1 11 5014 1 1 8 LYS HG3 H -3.798 -7.195 -5.592 1.00 . A A . 7 LYS HG3 1 1 11 5015 1 1 8 LYS HZ1 H -1.010 -3.543 -4.974 1.00 . A A . 7 LYS HZ1 1 1 11 5016 1 1 8 LYS HZ2 H -1.778 -3.557 -6.475 1.00 . A A . 7 LYS HZ2 1 1 11 5017 1 1 8 LYS HZ3 H -0.222 -4.201 -6.315 1.00 . A A . 7 LYS HZ3 1 1 11 5018 1 1 8 LYS N N -4.112 -6.717 -1.741 1.00 . A A . 7 LYS N 1 1 11 5019 1 1 8 LYS NZ N -1.146 -4.089 -5.845 1.00 . A A . 7 LYS NZ 1 1 11 5020 1 1 8 LYS O O -7.009 -7.177 -1.779 1.00 . A A . 7 LYS O 1 1 11 5021 1 1 9 PRO C C -9.490 -5.361 -2.156 1.00 . A A . 8 PRO C 1 1 11 5022 1 1 9 PRO CA C -8.460 -4.870 -1.148 1.00 . A A . 8 PRO CA 1 1 11 5023 1 1 9 PRO CB C -8.686 -3.380 -0.857 1.00 . A A . 8 PRO CB 1 1 11 5024 1 1 9 PRO CD C -6.500 -3.584 -1.791 1.00 . A A . 8 PRO CD 1 1 11 5025 1 1 9 PRO CG C -7.333 -2.762 -0.847 1.00 . A A . 8 PRO CG 1 1 11 5026 1 1 9 PRO HA H -8.556 -5.438 -0.237 1.00 . A A . 8 PRO HA 1 1 11 5027 1 1 9 PRO HB2 H -9.301 -2.946 -1.637 1.00 . A A . 8 PRO HB2 1 1 11 5028 1 1 9 PRO HB3 H -9.161 -3.260 0.106 1.00 . A A . 8 PRO HB3 1 1 11 5029 1 1 9 PRO HD2 H -6.590 -3.209 -2.803 1.00 . A A . 8 PRO HD2 1 1 11 5030 1 1 9 PRO HD3 H -5.465 -3.586 -1.476 1.00 . A A . 8 PRO HD3 1 1 11 5031 1 1 9 PRO HG2 H -7.399 -1.738 -1.191 1.00 . A A . 8 PRO HG2 1 1 11 5032 1 1 9 PRO HG3 H -6.913 -2.801 0.147 1.00 . A A . 8 PRO HG3 1 1 11 5033 1 1 9 PRO N N -7.091 -4.925 -1.673 1.00 . A A . 8 PRO N 1 1 11 5034 1 1 9 PRO O O -9.609 -4.816 -3.253 1.00 . A A . 8 PRO O 1 1 11 5035 1 1 10 GLY C C -12.638 -6.445 -2.138 1.00 . A A . 9 GLY C 1 1 11 5036 1 1 10 GLY CA C -11.284 -6.901 -2.634 1.00 . A A . 9 GLY CA 1 1 11 5037 1 1 10 GLY H H -10.026 -6.843 -0.933 1.00 . A A . 9 GLY H 1 1 11 5038 1 1 10 GLY HA2 H -11.134 -6.535 -3.638 1.00 . A A . 9 GLY HA2 1 1 11 5039 1 1 10 GLY HA3 H -11.259 -7.981 -2.642 1.00 . A A . 9 GLY HA3 1 1 11 5040 1 1 10 GLY N N -10.215 -6.406 -1.790 1.00 . A A . 9 GLY N 1 1 11 5041 1 1 10 GLY O O -13.281 -5.590 -2.749 1.00 . A A . 9 GLY O 1 1 11 5042 1 1 11 ASP C C -14.199 -5.343 0.380 1.00 . A A . 10 ASP C 1 1 11 5043 1 1 11 ASP CA C -14.334 -6.639 -0.403 1.00 . A A . 10 ASP CA 1 1 11 5044 1 1 11 ASP CB C -14.828 -7.747 0.529 1.00 . A A . 10 ASP CB 1 1 11 5045 1 1 11 ASP CG C -15.157 -9.032 -0.201 1.00 . A A . 10 ASP CG 1 1 11 5046 1 1 11 ASP H H -12.493 -7.674 -0.575 1.00 . A A . 10 ASP H 1 1 11 5047 1 1 11 ASP HA H -15.052 -6.497 -1.195 1.00 . A A . 10 ASP HA 1 1 11 5048 1 1 11 ASP HB2 H -14.065 -7.959 1.263 1.00 . A A . 10 ASP HB2 1 1 11 5049 1 1 11 ASP HB3 H -15.718 -7.407 1.035 1.00 . A A . 10 ASP HB3 1 1 11 5050 1 1 11 ASP N N -13.057 -6.999 -1.010 1.00 . A A . 10 ASP N 1 1 11 5051 1 1 11 ASP O O -15.137 -4.554 0.468 1.00 . A A . 10 ASP O 1 1 11 5052 1 1 11 ASP OD1 O -16.297 -9.166 -0.693 1.00 . A A . 10 ASP OD1 1 1 11 5053 1 1 11 ASP OD2 O -14.279 -9.920 -0.279 1.00 . A A . 10 ASP OD2 1 1 11 5054 1 1 12 ASN C C -12.306 -2.767 0.830 1.00 . A A . 11 ASN C 1 1 11 5055 1 1 12 ASN CA C -12.740 -3.925 1.723 1.00 . A A . 11 ASN CA 1 1 11 5056 1 1 12 ASN CB C -11.667 -4.193 2.787 1.00 . A A . 11 ASN CB 1 1 11 5057 1 1 12 ASN CG C -10.334 -4.621 2.199 1.00 . A A . 11 ASN CG 1 1 11 5058 1 1 12 ASN H H -12.303 -5.787 0.817 1.00 . A A . 11 ASN H 1 1 11 5059 1 1 12 ASN HA H -13.656 -3.647 2.217 1.00 . A A . 11 ASN HA 1 1 11 5060 1 1 12 ASN HB2 H -11.512 -3.293 3.361 1.00 . A A . 11 ASN HB2 1 1 11 5061 1 1 12 ASN HB3 H -12.014 -4.975 3.446 1.00 . A A . 11 ASN HB3 1 1 11 5062 1 1 12 ASN HD21 H -9.360 -3.618 3.608 1.00 . A A . 11 ASN HD21 1 1 11 5063 1 1 12 ASN HD22 H -8.373 -4.446 2.462 1.00 . A A . 11 ASN HD22 1 1 11 5064 1 1 12 ASN N N -13.016 -5.122 0.936 1.00 . A A . 11 ASN N 1 1 11 5065 1 1 12 ASN ND2 N -9.248 -4.183 2.818 1.00 . A A . 11 ASN ND2 1 1 11 5066 1 1 12 ASN O O -11.864 -1.729 1.318 1.00 . A A . 11 ASN O 1 1 11 5067 1 1 12 ASN OD1 O -10.280 -5.330 1.192 1.00 . A A . 11 ASN OD1 1 1 11 5068 1 1 13 ALA C C -13.084 -0.790 -1.505 1.00 . A A . 12 ALA C 1 1 11 5069 1 1 13 ALA CA C -12.064 -1.929 -1.452 1.00 . A A . 12 ALA CA 1 1 11 5070 1 1 13 ALA CB C -11.899 -2.560 -2.821 1.00 . A A . 12 ALA CB 1 1 11 5071 1 1 13 ALA H H -12.812 -3.793 -0.800 1.00 . A A . 12 ALA H 1 1 11 5072 1 1 13 ALA HA H -11.111 -1.526 -1.150 1.00 . A A . 12 ALA HA 1 1 11 5073 1 1 13 ALA HB1 H -11.165 -3.351 -2.765 1.00 . A A . 12 ALA HB1 1 1 11 5074 1 1 13 ALA HB2 H -11.568 -1.811 -3.526 1.00 . A A . 12 ALA HB2 1 1 11 5075 1 1 13 ALA HB3 H -12.844 -2.967 -3.145 1.00 . A A . 12 ALA HB3 1 1 11 5076 1 1 13 ALA N N -12.441 -2.948 -0.478 1.00 . A A . 12 ALA N 1 1 11 5077 1 1 13 ALA O O -13.216 -0.106 -2.521 1.00 . A A . 12 ALA O 1 1 11 5078 1 1 14 THR C C -14.076 1.834 -0.475 1.00 . A A . 13 THR C 1 1 11 5079 1 1 14 THR CA C -14.762 0.480 -0.285 1.00 . A A . 13 THR CA 1 1 11 5080 1 1 14 THR CB C -15.460 0.419 1.083 1.00 . A A . 13 THR CB 1 1 11 5081 1 1 14 THR CG2 C -16.515 -0.674 1.103 1.00 . A A . 13 THR CG2 1 1 11 5082 1 1 14 THR H H -13.646 -1.183 0.363 1.00 . A A . 13 THR H 1 1 11 5083 1 1 14 THR HA H -15.509 0.353 -1.054 1.00 . A A . 13 THR HA 1 1 11 5084 1 1 14 THR HB H -15.942 1.366 1.265 1.00 . A A . 13 THR HB 1 1 11 5085 1 1 14 THR HG1 H -14.684 -0.667 2.547 1.00 . A A . 13 THR HG1 1 1 11 5086 1 1 14 THR HG21 H -16.048 -1.629 0.913 1.00 . A A . 13 THR HG21 1 1 11 5087 1 1 14 THR HG22 H -17.251 -0.475 0.339 1.00 . A A . 13 THR HG22 1 1 11 5088 1 1 14 THR HG23 H -16.995 -0.692 2.070 1.00 . A A . 13 THR HG23 1 1 11 5089 1 1 14 THR N N -13.797 -0.597 -0.407 1.00 . A A . 13 THR N 1 1 11 5090 1 1 14 THR O O -12.973 2.042 0.026 1.00 . A A . 13 THR O 1 1 11 5091 1 1 14 THR OG1 O -14.494 0.177 2.116 1.00 . A A . 13 THR OG1 1 1 11 5092 1 1 15 PRO C C -13.279 4.733 -0.566 1.00 . A A . 14 PRO C 1 1 11 5093 1 1 15 PRO CA C -14.130 4.037 -1.632 1.00 . A A . 14 PRO CA 1 1 11 5094 1 1 15 PRO CB C -15.355 4.886 -1.968 1.00 . A A . 14 PRO CB 1 1 11 5095 1 1 15 PRO CD C -16.120 2.625 -1.683 1.00 . A A . 14 PRO CD 1 1 11 5096 1 1 15 PRO CG C -16.386 3.916 -2.422 1.00 . A A . 14 PRO CG 1 1 11 5097 1 1 15 PRO HA H -13.534 3.903 -2.523 1.00 . A A . 14 PRO HA 1 1 11 5098 1 1 15 PRO HB2 H -15.685 5.419 -1.085 1.00 . A A . 14 PRO HB2 1 1 11 5099 1 1 15 PRO HB3 H -15.124 5.580 -2.761 1.00 . A A . 14 PRO HB3 1 1 11 5100 1 1 15 PRO HD2 H -16.801 2.515 -0.851 1.00 . A A . 14 PRO HD2 1 1 11 5101 1 1 15 PRO HD3 H -16.212 1.782 -2.352 1.00 . A A . 14 PRO HD3 1 1 11 5102 1 1 15 PRO HG2 H -17.373 4.297 -2.178 1.00 . A A . 14 PRO HG2 1 1 11 5103 1 1 15 PRO HG3 H -16.298 3.758 -3.488 1.00 . A A . 14 PRO HG3 1 1 11 5104 1 1 15 PRO N N -14.727 2.759 -1.204 1.00 . A A . 14 PRO N 1 1 11 5105 1 1 15 PRO O O -12.154 5.151 -0.845 1.00 . A A . 14 PRO O 1 1 11 5106 1 1 16 GLU C C -11.826 4.876 2.135 1.00 . A A . 15 GLU C 1 1 11 5107 1 1 16 GLU CA C -13.109 5.584 1.705 1.00 . A A . 15 GLU CA 1 1 11 5108 1 1 16 GLU CB C -14.018 5.790 2.917 1.00 . A A . 15 GLU CB 1 1 11 5109 1 1 16 GLU CD C -16.093 6.864 3.857 1.00 . A A . 15 GLU CD 1 1 11 5110 1 1 16 GLU CG C -15.250 6.623 2.623 1.00 . A A . 15 GLU CG 1 1 11 5111 1 1 16 GLU H H -14.658 4.404 0.851 1.00 . A A . 15 GLU H 1 1 11 5112 1 1 16 GLU HA H -12.846 6.549 1.300 1.00 . A A . 15 GLU HA 1 1 11 5113 1 1 16 GLU HB2 H -14.345 4.828 3.274 1.00 . A A . 15 GLU HB2 1 1 11 5114 1 1 16 GLU HB3 H -13.456 6.281 3.696 1.00 . A A . 15 GLU HB3 1 1 11 5115 1 1 16 GLU HG2 H -14.940 7.577 2.224 1.00 . A A . 15 GLU HG2 1 1 11 5116 1 1 16 GLU HG3 H -15.849 6.104 1.891 1.00 . A A . 15 GLU HG3 1 1 11 5117 1 1 16 GLU N N -13.799 4.841 0.652 1.00 . A A . 15 GLU N 1 1 11 5118 1 1 16 GLU O O -10.798 5.518 2.374 1.00 . A A . 15 GLU O 1 1 11 5119 1 1 16 GLU OE1 O -16.988 6.045 4.142 1.00 . A A . 15 GLU OE1 1 1 11 5120 1 1 16 GLU OE2 O -15.864 7.879 4.548 1.00 . A A . 15 GLU OE2 1 1 11 5121 1 1 17 LYS C C -9.786 2.543 1.478 1.00 . A A . 16 LYS C 1 1 11 5122 1 1 17 LYS CA C -10.742 2.767 2.642 1.00 . A A . 16 LYS CA 1 1 11 5123 1 1 17 LYS CB C -11.196 1.425 3.216 1.00 . A A . 16 LYS CB 1 1 11 5124 1 1 17 LYS CD C -10.549 -0.765 4.272 1.00 . A A . 16 LYS CD 1 1 11 5125 1 1 17 LYS CE C -11.442 -0.584 5.489 1.00 . A A . 16 LYS CE 1 1 11 5126 1 1 17 LYS CG C -10.052 0.566 3.734 1.00 . A A . 16 LYS CG 1 1 11 5127 1 1 17 LYS H H -12.717 3.101 1.976 1.00 . A A . 16 LYS H 1 1 11 5128 1 1 17 LYS HA H -10.227 3.323 3.411 1.00 . A A . 16 LYS HA 1 1 11 5129 1 1 17 LYS HB2 H -11.877 1.611 4.035 1.00 . A A . 16 LYS HB2 1 1 11 5130 1 1 17 LYS HB3 H -11.715 0.870 2.444 1.00 . A A . 16 LYS HB3 1 1 11 5131 1 1 17 LYS HD2 H -11.111 -1.265 3.499 1.00 . A A . 16 LYS HD2 1 1 11 5132 1 1 17 LYS HD3 H -9.698 -1.369 4.548 1.00 . A A . 16 LYS HD3 1 1 11 5133 1 1 17 LYS HE2 H -12.260 0.068 5.223 1.00 . A A . 16 LYS HE2 1 1 11 5134 1 1 17 LYS HE3 H -11.834 -1.548 5.775 1.00 . A A . 16 LYS HE3 1 1 11 5135 1 1 17 LYS HG2 H -9.363 0.379 2.924 1.00 . A A . 16 LYS HG2 1 1 11 5136 1 1 17 LYS HG3 H -9.545 1.098 4.525 1.00 . A A . 16 LYS HG3 1 1 11 5137 1 1 17 LYS HZ1 H -9.935 -0.624 6.934 1.00 . A A . 16 LYS HZ1 1 1 11 5138 1 1 17 LYS HZ2 H -11.355 0.133 7.447 1.00 . A A . 16 LYS HZ2 1 1 11 5139 1 1 17 LYS HZ3 H -10.313 0.931 6.383 1.00 . A A . 16 LYS HZ3 1 1 11 5140 1 1 17 LYS N N -11.885 3.557 2.217 1.00 . A A . 16 LYS N 1 1 11 5141 1 1 17 LYS NZ N -10.710 0.005 6.643 1.00 . A A . 16 LYS NZ 1 1 11 5142 1 1 17 LYS O O -8.575 2.463 1.666 1.00 . A A . 16 LYS O 1 1 11 5143 1 1 18 LEU C C -8.620 3.484 -1.114 1.00 . A A . 17 LEU C 1 1 11 5144 1 1 18 LEU CA C -9.534 2.278 -0.925 1.00 . A A . 17 LEU CA 1 1 11 5145 1 1 18 LEU CB C -10.443 2.093 -2.140 1.00 . A A . 17 LEU CB 1 1 11 5146 1 1 18 LEU CD1 C -8.942 0.464 -3.313 1.00 . A A . 17 LEU CD1 1 1 11 5147 1 1 18 LEU CD2 C -10.762 1.617 -4.560 1.00 . A A . 17 LEU CD2 1 1 11 5148 1 1 18 LEU CG C -9.739 1.751 -3.451 1.00 . A A . 17 LEU CG 1 1 11 5149 1 1 18 LEU H H -11.317 2.497 0.193 1.00 . A A . 17 LEU H 1 1 11 5150 1 1 18 LEU HA H -8.930 1.396 -0.795 1.00 . A A . 17 LEU HA 1 1 11 5151 1 1 18 LEU HB2 H -11.141 1.297 -1.921 1.00 . A A . 17 LEU HB2 1 1 11 5152 1 1 18 LEU HB3 H -11.000 3.005 -2.287 1.00 . A A . 17 LEU HB3 1 1 11 5153 1 1 18 LEU HD11 H -8.479 0.225 -4.260 1.00 . A A . 17 LEU HD11 1 1 11 5154 1 1 18 LEU HD12 H -9.604 -0.336 -3.022 1.00 . A A . 17 LEU HD12 1 1 11 5155 1 1 18 LEU HD13 H -8.181 0.592 -2.563 1.00 . A A . 17 LEU HD13 1 1 11 5156 1 1 18 LEU HD21 H -11.308 2.543 -4.657 1.00 . A A . 17 LEU HD21 1 1 11 5157 1 1 18 LEU HD22 H -11.447 0.818 -4.317 1.00 . A A . 17 LEU HD22 1 1 11 5158 1 1 18 LEU HD23 H -10.259 1.393 -5.488 1.00 . A A . 17 LEU HD23 1 1 11 5159 1 1 18 LEU HG H -9.057 2.547 -3.712 1.00 . A A . 17 LEU HG 1 1 11 5160 1 1 18 LEU N N -10.337 2.453 0.275 1.00 . A A . 17 LEU N 1 1 11 5161 1 1 18 LEU O O -7.462 3.352 -1.515 1.00 . A A . 17 LEU O 1 1 11 5162 1 1 19 ALA C C -7.300 5.898 0.223 1.00 . A A . 18 ALA C 1 1 11 5163 1 1 19 ALA CA C -8.388 5.892 -0.842 1.00 . A A . 18 ALA CA 1 1 11 5164 1 1 19 ALA CB C -9.318 7.074 -0.656 1.00 . A A . 18 ALA CB 1 1 11 5165 1 1 19 ALA H H -10.087 4.688 -0.508 1.00 . A A . 18 ALA H 1 1 11 5166 1 1 19 ALA HA H -7.933 5.966 -1.816 1.00 . A A . 18 ALA HA 1 1 11 5167 1 1 19 ALA HB1 H -10.065 7.068 -1.434 1.00 . A A . 18 ALA HB1 1 1 11 5168 1 1 19 ALA HB2 H -8.750 7.990 -0.708 1.00 . A A . 18 ALA HB2 1 1 11 5169 1 1 19 ALA HB3 H -9.800 7.000 0.307 1.00 . A A . 18 ALA HB3 1 1 11 5170 1 1 19 ALA N N -9.148 4.655 -0.789 1.00 . A A . 18 ALA N 1 1 11 5171 1 1 19 ALA O O -6.194 6.394 0.005 1.00 . A A . 18 ALA O 1 1 11 5172 1 1 20 LYS C C -5.569 4.219 2.060 1.00 . A A . 19 LYS C 1 1 11 5173 1 1 20 LYS CA C -6.664 5.204 2.463 1.00 . A A . 19 LYS CA 1 1 11 5174 1 1 20 LYS CB C -7.373 4.727 3.735 1.00 . A A . 19 LYS CB 1 1 11 5175 1 1 20 LYS CD C -5.975 6.056 5.350 1.00 . A A . 19 LYS CD 1 1 11 5176 1 1 20 LYS CE C -5.272 6.035 6.697 1.00 . A A . 19 LYS CE 1 1 11 5177 1 1 20 LYS CG C -6.481 4.675 4.965 1.00 . A A . 19 LYS CG 1 1 11 5178 1 1 20 LYS H H -8.542 5.017 1.510 1.00 . A A . 19 LYS H 1 1 11 5179 1 1 20 LYS HA H -6.221 6.171 2.643 1.00 . A A . 19 LYS HA 1 1 11 5180 1 1 20 LYS HB2 H -8.196 5.396 3.942 1.00 . A A . 19 LYS HB2 1 1 11 5181 1 1 20 LYS HB3 H -7.767 3.734 3.562 1.00 . A A . 19 LYS HB3 1 1 11 5182 1 1 20 LYS HD2 H -5.279 6.396 4.599 1.00 . A A . 19 LYS HD2 1 1 11 5183 1 1 20 LYS HD3 H -6.814 6.733 5.403 1.00 . A A . 19 LYS HD3 1 1 11 5184 1 1 20 LYS HE2 H -4.482 5.300 6.667 1.00 . A A . 19 LYS HE2 1 1 11 5185 1 1 20 LYS HE3 H -4.848 7.010 6.883 1.00 . A A . 19 LYS HE3 1 1 11 5186 1 1 20 LYS HG2 H -7.043 4.265 5.790 1.00 . A A . 19 LYS HG2 1 1 11 5187 1 1 20 LYS HG3 H -5.634 4.037 4.754 1.00 . A A . 19 LYS HG3 1 1 11 5188 1 1 20 LYS HZ1 H -6.986 6.378 7.834 1.00 . A A . 19 LYS HZ1 1 1 11 5189 1 1 20 LYS HZ2 H -5.705 5.717 8.711 1.00 . A A . 19 LYS HZ2 1 1 11 5190 1 1 20 LYS HZ3 H -6.598 4.742 7.658 1.00 . A A . 19 LYS HZ3 1 1 11 5191 1 1 20 LYS N N -7.627 5.341 1.380 1.00 . A A . 19 LYS N 1 1 11 5192 1 1 20 LYS NZ N -6.205 5.694 7.803 1.00 . A A . 19 LYS NZ 1 1 11 5193 1 1 20 LYS O O -4.391 4.410 2.367 1.00 . A A . 19 LYS O 1 1 11 5194 1 1 21 4PH C33 C -2.662 -2.855 -2.366 1.00 . A A . 20 4PH C33 1 1 11 5195 1 1 21 4PH H33 H -1.673 -2.460 -2.536 1.00 . A A . 20 4PH H33 1 1 11 5196 1 1 21 4PH H33A H -2.602 -3.746 -1.757 1.00 . A A . 20 4PH H33A 1 1 11 5197 1 1 21 4PH H33B H -3.114 -3.093 -3.318 1.00 . A A . 20 4PH H33B 1 1 11 5198 1 1 22 GLN C C -2.623 5.116 -1.278 1.00 . A A . 21 GLN C 1 1 11 5199 1 1 22 GLN CA C -3.735 4.343 -1.979 1.00 . A A . 21 GLN CA 1 1 11 5200 1 1 22 GLN CB C -4.568 5.289 -2.842 1.00 . A A . 21 GLN CB 1 1 11 5201 1 1 22 GLN CD C -4.879 3.783 -4.846 1.00 . A A . 21 GLN CD 1 1 11 5202 1 1 22 GLN CG C -5.558 4.571 -3.744 1.00 . A A . 21 GLN CG 1 1 11 5203 1 1 22 GLN H H -5.544 3.862 -0.978 1.00 . A A . 21 GLN H 1 1 11 5204 1 1 22 GLN HA H -3.289 3.594 -2.612 1.00 . A A . 21 GLN HA 1 1 11 5205 1 1 22 GLN HB2 H -5.122 5.956 -2.198 1.00 . A A . 21 GLN HB2 1 1 11 5206 1 1 22 GLN HB3 H -3.904 5.872 -3.463 1.00 . A A . 21 GLN HB3 1 1 11 5207 1 1 22 GLN HE21 H -4.782 2.168 -3.695 1.00 . A A . 21 GLN HE21 1 1 11 5208 1 1 22 GLN HE22 H -4.133 1.999 -5.286 1.00 . A A . 21 GLN HE22 1 1 11 5209 1 1 22 GLN HG2 H -6.142 3.891 -3.145 1.00 . A A . 21 GLN HG2 1 1 11 5210 1 1 22 GLN HG3 H -6.208 5.304 -4.197 1.00 . A A . 21 GLN HG3 1 1 11 5211 1 1 22 GLN N N -4.583 3.660 -1.005 1.00 . A A . 21 GLN N 1 1 11 5212 1 1 22 GLN NE2 N -4.566 2.525 -4.580 1.00 . A A . 21 GLN NE2 1 1 11 5213 1 1 22 GLN O O -1.494 5.190 -1.769 1.00 . A A . 21 GLN O 1 1 11 5214 1 1 22 GLN OE1 O -4.637 4.307 -5.933 1.00 . A A . 21 GLN OE1 1 1 11 5215 1 1 23 ALA C C -0.965 5.438 1.304 1.00 . A A . 22 ALA C 1 1 11 5216 1 1 23 ALA CA C -1.981 6.394 0.689 1.00 . A A . 22 ALA CA 1 1 11 5217 1 1 23 ALA CB C -2.696 7.180 1.771 1.00 . A A . 22 ALA CB 1 1 11 5218 1 1 23 ALA H H -3.870 5.594 0.205 1.00 . A A . 22 ALA H 1 1 11 5219 1 1 23 ALA HA H -1.465 7.093 0.048 1.00 . A A . 22 ALA HA 1 1 11 5220 1 1 23 ALA HB1 H -3.218 6.496 2.423 1.00 . A A . 22 ALA HB1 1 1 11 5221 1 1 23 ALA HB2 H -3.405 7.853 1.315 1.00 . A A . 22 ALA HB2 1 1 11 5222 1 1 23 ALA HB3 H -1.975 7.746 2.342 1.00 . A A . 22 ALA HB3 1 1 11 5223 1 1 23 ALA N N -2.949 5.671 -0.117 1.00 . A A . 22 ALA N 1 1 11 5224 1 1 23 ALA O O 0.201 5.786 1.494 1.00 . A A . 22 ALA O 1 1 11 5225 1 1 24 ASP C C 0.437 2.756 1.050 1.00 . A A . 23 ASP C 1 1 11 5226 1 1 24 ASP CA C -0.515 3.205 2.144 1.00 . A A . 23 ASP CA 1 1 11 5227 1 1 24 ASP CB C -1.286 2.000 2.683 1.00 . A A . 23 ASP CB 1 1 11 5228 1 1 24 ASP CG C -0.475 1.217 3.695 1.00 . A A . 23 ASP CG 1 1 11 5229 1 1 24 ASP H H -2.364 4.024 1.493 1.00 . A A . 23 ASP H 1 1 11 5230 1 1 24 ASP HA H 0.060 3.646 2.945 1.00 . A A . 23 ASP HA 1 1 11 5231 1 1 24 ASP HB2 H -2.198 2.335 3.154 1.00 . A A . 23 ASP HB2 1 1 11 5232 1 1 24 ASP HB3 H -1.529 1.342 1.862 1.00 . A A . 23 ASP HB3 1 1 11 5233 1 1 24 ASP N N -1.412 4.228 1.616 1.00 . A A . 23 ASP N 1 1 11 5234 1 1 24 ASP O O 1.633 2.577 1.283 1.00 . A A . 23 ASP O 1 1 11 5235 1 1 24 ASP OD1 O -0.381 1.673 4.856 1.00 . A A . 23 ASP OD1 1 1 11 5236 1 1 24 ASP OD2 O 0.072 0.151 3.346 1.00 . A A . 23 ASP OD2 1 1 11 5237 1 1 25 LEU C C 1.746 3.383 -1.550 1.00 . A A . 24 LEU C 1 1 11 5238 1 1 25 LEU CA C 0.710 2.297 -1.323 1.00 . A A . 24 LEU CA 1 1 11 5239 1 1 25 LEU CB C -0.149 2.146 -2.579 1.00 . A A . 24 LEU CB 1 1 11 5240 1 1 25 LEU CD1 C -1.543 0.739 -4.103 1.00 . A A . 24 LEU CD1 1 1 11 5241 1 1 25 LEU CD2 C 0.353 -0.296 -2.850 1.00 . A A . 24 LEU CD2 1 1 11 5242 1 1 25 LEU CG C -0.746 0.758 -2.810 1.00 . A A . 24 LEU CG 1 1 11 5243 1 1 25 LEU H H -1.080 2.668 -0.255 1.00 . A A . 24 LEU H 1 1 11 5244 1 1 25 LEU HA H 1.222 1.368 -1.133 1.00 . A A . 24 LEU HA 1 1 11 5245 1 1 25 LEU HB2 H -0.961 2.858 -2.518 1.00 . A A . 24 LEU HB2 1 1 11 5246 1 1 25 LEU HB3 H 0.462 2.396 -3.433 1.00 . A A . 24 LEU HB3 1 1 11 5247 1 1 25 LEU HD11 H -1.931 -0.255 -4.270 1.00 . A A . 24 LEU HD11 1 1 11 5248 1 1 25 LEU HD12 H -0.902 1.018 -4.926 1.00 . A A . 24 LEU HD12 1 1 11 5249 1 1 25 LEU HD13 H -2.362 1.437 -4.031 1.00 . A A . 24 LEU HD13 1 1 11 5250 1 1 25 LEU HD21 H 0.769 -0.422 -1.864 1.00 . A A . 24 LEU HD21 1 1 11 5251 1 1 25 LEU HD22 H 1.132 0.020 -3.530 1.00 . A A . 24 LEU HD22 1 1 11 5252 1 1 25 LEU HD23 H -0.059 -1.235 -3.189 1.00 . A A . 24 LEU HD23 1 1 11 5253 1 1 25 LEU HG H -1.416 0.519 -1.998 1.00 . A A . 24 LEU HG 1 1 11 5254 1 1 25 LEU N N -0.103 2.595 -0.154 1.00 . A A . 24 LEU N 1 1 11 5255 1 1 25 LEU O O 2.862 3.098 -1.960 1.00 . A A . 24 LEU O 1 1 11 5256 1 1 26 ALA C C 3.509 5.554 -0.519 1.00 . A A . 25 ALA C 1 1 11 5257 1 1 26 ALA CA C 2.288 5.749 -1.410 1.00 . A A . 25 ALA CA 1 1 11 5258 1 1 26 ALA CB C 1.585 7.055 -1.079 1.00 . A A . 25 ALA CB 1 1 11 5259 1 1 26 ALA H H 0.449 4.796 -0.981 1.00 . A A . 25 ALA H 1 1 11 5260 1 1 26 ALA HA H 2.610 5.790 -2.439 1.00 . A A . 25 ALA HA 1 1 11 5261 1 1 26 ALA HB1 H 2.266 7.879 -1.234 1.00 . A A . 25 ALA HB1 1 1 11 5262 1 1 26 ALA HB2 H 1.266 7.039 -0.047 1.00 . A A . 25 ALA HB2 1 1 11 5263 1 1 26 ALA HB3 H 0.725 7.173 -1.720 1.00 . A A . 25 ALA HB3 1 1 11 5264 1 1 26 ALA N N 1.370 4.627 -1.274 1.00 . A A . 25 ALA N 1 1 11 5265 1 1 26 ALA O O 4.642 5.805 -0.937 1.00 . A A . 25 ALA O 1 1 11 5266 1 1 27 LYS C C 5.217 3.658 1.090 1.00 . A A . 26 LYS C 1 1 11 5267 1 1 27 LYS CA C 4.359 4.794 1.629 1.00 . A A . 26 LYS CA 1 1 11 5268 1 1 27 LYS CB C 3.823 4.413 3.013 1.00 . A A . 26 LYS CB 1 1 11 5269 1 1 27 LYS CD C 2.944 5.239 5.218 1.00 . A A . 26 LYS CD 1 1 11 5270 1 1 27 LYS CE C 2.233 3.921 5.490 1.00 . A A . 26 LYS CE 1 1 11 5271 1 1 27 LYS CG C 3.070 5.525 3.725 1.00 . A A . 26 LYS CG 1 1 11 5272 1 1 27 LYS H H 2.347 4.928 0.986 1.00 . A A . 26 LYS H 1 1 11 5273 1 1 27 LYS HA H 4.967 5.679 1.716 1.00 . A A . 26 LYS HA 1 1 11 5274 1 1 27 LYS HB2 H 3.151 3.575 2.903 1.00 . A A . 26 LYS HB2 1 1 11 5275 1 1 27 LYS HB3 H 4.653 4.114 3.634 1.00 . A A . 26 LYS HB3 1 1 11 5276 1 1 27 LYS HD2 H 3.934 5.195 5.648 1.00 . A A . 26 LYS HD2 1 1 11 5277 1 1 27 LYS HD3 H 2.386 6.040 5.679 1.00 . A A . 26 LYS HD3 1 1 11 5278 1 1 27 LYS HE2 H 2.645 3.164 4.841 1.00 . A A . 26 LYS HE2 1 1 11 5279 1 1 27 LYS HE3 H 2.403 3.641 6.519 1.00 . A A . 26 LYS HE3 1 1 11 5280 1 1 27 LYS HG2 H 3.605 6.453 3.589 1.00 . A A . 26 LYS HG2 1 1 11 5281 1 1 27 LYS HG3 H 2.082 5.611 3.298 1.00 . A A . 26 LYS HG3 1 1 11 5282 1 1 27 LYS HZ1 H 0.316 4.528 6.031 1.00 . A A . 26 LYS HZ1 1 1 11 5283 1 1 27 LYS HZ2 H 0.355 3.058 5.185 1.00 . A A . 26 LYS HZ2 1 1 11 5284 1 1 27 LYS HZ3 H 0.587 4.523 4.364 1.00 . A A . 26 LYS HZ3 1 1 11 5285 1 1 27 LYS N N 3.274 5.085 0.704 1.00 . A A . 26 LYS N 1 1 11 5286 1 1 27 LYS NZ N 0.772 4.014 5.251 1.00 . A A . 26 LYS NZ 1 1 11 5287 1 1 27 LYS O O 6.446 3.727 1.110 1.00 . A A . 26 LYS O 1 1 11 5288 1 1 28 4PH C33 C 6.380 -3.732 -3.587 1.00 . A A . 27 4PH C33 1 1 11 5289 1 1 28 4PH H33 H 5.627 -4.074 -4.278 1.00 . A A . 27 4PH H33 1 1 11 5290 1 1 28 4PH H33A H 7.221 -3.334 -4.135 1.00 . A A . 27 4PH H33A 1 1 11 5291 1 1 28 4PH H33B H 6.704 -4.561 -2.973 1.00 . A A . 27 4PH H33B 1 1 11 5292 1 1 29 GLN C C 7.388 3.788 -3.057 1.00 . A A . 28 GLN C 1 1 11 5293 1 1 29 GLN CA C 6.097 3.023 -3.320 1.00 . A A . 28 GLN CA 1 1 11 5294 1 1 29 GLN CB C 5.156 3.878 -4.168 1.00 . A A . 28 GLN CB 1 1 11 5295 1 1 29 GLN CD C 4.558 2.077 -5.832 1.00 . A A . 28 GLN CD 1 1 11 5296 1 1 29 GLN CG C 4.036 3.086 -4.830 1.00 . A A . 28 GLN CG 1 1 11 5297 1 1 29 GLN H H 4.531 2.932 -1.893 1.00 . A A . 28 GLN H 1 1 11 5298 1 1 29 GLN HA H 6.335 2.124 -3.868 1.00 . A A . 28 GLN HA 1 1 11 5299 1 1 29 GLN HB2 H 4.711 4.637 -3.540 1.00 . A A . 28 GLN HB2 1 1 11 5300 1 1 29 GLN HB3 H 5.736 4.360 -4.944 1.00 . A A . 28 GLN HB3 1 1 11 5301 1 1 29 GLN HE21 H 4.567 0.656 -4.451 1.00 . A A . 28 GLN HE21 1 1 11 5302 1 1 29 GLN HE22 H 5.122 0.182 -6.014 1.00 . A A . 28 GLN HE22 1 1 11 5303 1 1 29 GLN HG2 H 3.480 2.557 -4.067 1.00 . A A . 28 GLN HG2 1 1 11 5304 1 1 29 GLN HG3 H 3.379 3.772 -5.339 1.00 . A A . 28 GLN HG3 1 1 11 5305 1 1 29 GLN N N 5.447 2.619 -2.077 1.00 . A A . 28 GLN N 1 1 11 5306 1 1 29 GLN NE2 N 4.765 0.849 -5.389 1.00 . A A . 28 GLN NE2 1 1 11 5307 1 1 29 GLN O O 8.383 3.598 -3.759 1.00 . A A . 28 GLN O 1 1 11 5308 1 1 29 GLN OE1 O 4.753 2.398 -7.004 1.00 . A A . 28 GLN OE1 1 1 11 5309 1 1 30 LYS C C 9.578 4.583 -0.978 1.00 . A A . 29 LYS C 1 1 11 5310 1 1 30 LYS CA C 8.554 5.432 -1.724 1.00 . A A . 29 LYS CA 1 1 11 5311 1 1 30 LYS CB C 8.181 6.664 -0.894 1.00 . A A . 29 LYS CB 1 1 11 5312 1 1 30 LYS CD C 10.068 8.049 -1.815 1.00 . A A . 29 LYS CD 1 1 11 5313 1 1 30 LYS CE C 11.386 8.737 -1.498 1.00 . A A . 29 LYS CE 1 1 11 5314 1 1 30 LYS CG C 9.375 7.547 -0.556 1.00 . A A . 29 LYS CG 1 1 11 5315 1 1 30 LYS H H 6.556 4.762 -1.522 1.00 . A A . 29 LYS H 1 1 11 5316 1 1 30 LYS HA H 8.992 5.758 -2.654 1.00 . A A . 29 LYS HA 1 1 11 5317 1 1 30 LYS HB2 H 7.469 7.255 -1.448 1.00 . A A . 29 LYS HB2 1 1 11 5318 1 1 30 LYS HB3 H 7.728 6.341 0.032 1.00 . A A . 29 LYS HB3 1 1 11 5319 1 1 30 LYS HD2 H 10.264 7.211 -2.466 1.00 . A A . 29 LYS HD2 1 1 11 5320 1 1 30 LYS HD3 H 9.417 8.751 -2.316 1.00 . A A . 29 LYS HD3 1 1 11 5321 1 1 30 LYS HE2 H 12.013 8.049 -0.956 1.00 . A A . 29 LYS HE2 1 1 11 5322 1 1 30 LYS HE3 H 11.868 9.006 -2.426 1.00 . A A . 29 LYS HE3 1 1 11 5323 1 1 30 LYS HG2 H 9.034 8.395 0.018 1.00 . A A . 29 LYS HG2 1 1 11 5324 1 1 30 LYS HG3 H 10.080 6.974 0.027 1.00 . A A . 29 LYS HG3 1 1 11 5325 1 1 30 LYS HZ1 H 12.117 10.410 -0.493 1.00 . A A . 29 LYS HZ1 1 1 11 5326 1 1 30 LYS HZ2 H 10.752 9.726 0.228 1.00 . A A . 29 LYS HZ2 1 1 11 5327 1 1 30 LYS HZ3 H 10.591 10.640 -1.184 1.00 . A A . 29 LYS HZ3 1 1 11 5328 1 1 30 LYS N N 7.375 4.648 -2.051 1.00 . A A . 29 LYS N 1 1 11 5329 1 1 30 LYS NZ N 11.198 9.962 -0.680 1.00 . A A . 29 LYS NZ 1 1 11 5330 1 1 30 LYS O O 10.770 4.632 -1.278 1.00 . A A . 29 LYS O 1 1 11 5331 1 1 31 ASP C C 10.660 1.884 -0.039 1.00 . A A . 30 ASP C 1 1 11 5332 1 1 31 ASP CA C 10.004 2.978 0.798 1.00 . A A . 30 ASP CA 1 1 11 5333 1 1 31 ASP CB C 9.255 2.363 1.984 1.00 . A A . 30 ASP CB 1 1 11 5334 1 1 31 ASP CG C 10.198 1.783 3.019 1.00 . A A . 30 ASP CG 1 1 11 5335 1 1 31 ASP H H 8.141 3.759 0.147 1.00 . A A . 30 ASP H 1 1 11 5336 1 1 31 ASP HA H 10.777 3.628 1.177 1.00 . A A . 30 ASP HA 1 1 11 5337 1 1 31 ASP HB2 H 8.654 3.125 2.457 1.00 . A A . 30 ASP HB2 1 1 11 5338 1 1 31 ASP HB3 H 8.612 1.572 1.627 1.00 . A A . 30 ASP HB3 1 1 11 5339 1 1 31 ASP N N 9.109 3.791 -0.021 1.00 . A A . 30 ASP N 1 1 11 5340 1 1 31 ASP O O 11.801 1.505 0.211 1.00 . A A . 30 ASP O 1 1 11 5341 1 1 31 ASP OD1 O 10.898 2.570 3.698 1.00 . A A . 30 ASP OD1 1 1 11 5342 1 1 31 ASP OD2 O 10.236 0.546 3.178 1.00 . A A . 30 ASP OD2 1 1 11 5343 1 1 32 LEU C C 11.612 1.017 -2.775 1.00 . A A . 31 LEU C 1 1 11 5344 1 1 32 LEU CA C 10.473 0.401 -1.969 1.00 . A A . 31 LEU CA 1 1 11 5345 1 1 32 LEU CB C 9.353 -0.103 -2.902 1.00 . A A . 31 LEU CB 1 1 11 5346 1 1 32 LEU CD1 C 10.645 -1.376 -4.665 1.00 . A A . 31 LEU CD1 1 1 11 5347 1 1 32 LEU CD2 C 9.950 -2.512 -2.558 1.00 . A A . 31 LEU CD2 1 1 11 5348 1 1 32 LEU CG C 9.579 -1.461 -3.586 1.00 . A A . 31 LEU CG 1 1 11 5349 1 1 32 LEU H H 9.009 1.698 -1.157 1.00 . A A . 31 LEU H 1 1 11 5350 1 1 32 LEU HA H 10.857 -0.422 -1.391 1.00 . A A . 31 LEU HA 1 1 11 5351 1 1 32 LEU HB2 H 8.443 -0.173 -2.325 1.00 . A A . 31 LEU HB2 1 1 11 5352 1 1 32 LEU HB3 H 9.208 0.637 -3.673 1.00 . A A . 31 LEU HB3 1 1 11 5353 1 1 32 LEU HD11 H 10.788 -2.352 -5.106 1.00 . A A . 31 LEU HD11 1 1 11 5354 1 1 32 LEU HD12 H 11.571 -1.037 -4.228 1.00 . A A . 31 LEU HD12 1 1 11 5355 1 1 32 LEU HD13 H 10.330 -0.679 -5.428 1.00 . A A . 31 LEU HD13 1 1 11 5356 1 1 32 LEU HD21 H 9.956 -3.486 -3.025 1.00 . A A . 31 LEU HD21 1 1 11 5357 1 1 32 LEU HD22 H 9.226 -2.498 -1.755 1.00 . A A . 31 LEU HD22 1 1 11 5358 1 1 32 LEU HD23 H 10.931 -2.297 -2.163 1.00 . A A . 31 LEU HD23 1 1 11 5359 1 1 32 LEU HG H 8.657 -1.771 -4.058 1.00 . A A . 31 LEU HG 1 1 11 5360 1 1 32 LEU N N 9.936 1.393 -1.043 1.00 . A A . 31 LEU N 1 1 11 5361 1 1 32 LEU O O 12.638 0.380 -3.011 1.00 . A A . 31 LEU O 1 1 11 5362 1 1 33 ALA C C 13.655 3.261 -3.043 1.00 . A A . 32 ALA C 1 1 11 5363 1 1 33 ALA CA C 12.437 2.996 -3.921 1.00 . A A . 32 ALA CA 1 1 11 5364 1 1 33 ALA CB C 11.860 4.302 -4.437 1.00 . A A . 32 ALA CB 1 1 11 5365 1 1 33 ALA H H 10.573 2.703 -2.983 1.00 . A A . 32 ALA H 1 1 11 5366 1 1 33 ALA HA H 12.734 2.397 -4.767 1.00 . A A . 32 ALA HA 1 1 11 5367 1 1 33 ALA HB1 H 12.613 4.832 -4.998 1.00 . A A . 32 ALA HB1 1 1 11 5368 1 1 33 ALA HB2 H 11.539 4.907 -3.601 1.00 . A A . 32 ALA HB2 1 1 11 5369 1 1 33 ALA HB3 H 11.014 4.094 -5.074 1.00 . A A . 32 ALA HB3 1 1 11 5370 1 1 33 ALA N N 11.422 2.263 -3.183 1.00 . A A . 32 ALA N 1 1 11 5371 1 1 33 ALA O O 14.797 3.105 -3.478 1.00 . A A . 32 ALA O 1 1 11 5372 1 1 34 ASP C C 15.236 2.672 -0.505 1.00 . A A . 33 ASP C 1 1 11 5373 1 1 34 ASP CA C 14.450 3.941 -0.835 1.00 . A A . 33 ASP CA 1 1 11 5374 1 1 34 ASP CB C 13.844 4.531 0.443 1.00 . A A . 33 ASP CB 1 1 11 5375 1 1 34 ASP CG C 14.875 4.810 1.518 1.00 . A A . 33 ASP CG 1 1 11 5376 1 1 34 ASP H H 12.457 3.790 -1.540 1.00 . A A . 33 ASP H 1 1 11 5377 1 1 34 ASP HA H 15.122 4.663 -1.271 1.00 . A A . 33 ASP HA 1 1 11 5378 1 1 34 ASP HB2 H 13.346 5.459 0.204 1.00 . A A . 33 ASP HB2 1 1 11 5379 1 1 34 ASP HB3 H 13.121 3.836 0.842 1.00 . A A . 33 ASP HB3 1 1 11 5380 1 1 34 ASP N N 13.394 3.664 -1.806 1.00 . A A . 33 ASP N 1 1 11 5381 1 1 34 ASP O O 16.456 2.707 -0.336 1.00 . A A . 33 ASP O 1 1 11 5382 1 1 34 ASP OD1 O 15.307 5.976 1.646 1.00 . A A . 33 ASP OD1 1 1 11 5383 1 1 34 ASP OD2 O 15.236 3.874 2.260 1.00 . A A . 33 ASP OD2 1 1 11 5384 1 1 35 4PH C33 C 15.909 -6.006 1.220 1.00 . A A . 34 4PH C33 1 1 11 5385 1 1 35 4PH H33 H 16.288 -6.482 0.329 1.00 . A A . 34 4PH H33 1 1 11 5386 1 1 35 4PH H33A H 16.690 -5.945 1.961 1.00 . A A . 34 4PH H33A 1 1 11 5387 1 1 35 4PH H33B H 15.082 -6.587 1.608 1.00 . A A . 34 4PH H33B 1 1 11 5388 1 1 36 NH2 HN1 H 17.529 -0.381 0.211 1.00 . A A . 35 NH2 HN1 1 1 11 5389 1 1 36 NH2 HN2 H 18.045 -0.662 -1.413 1.00 . A A . 35 NH2 HN2 1 1 11 5390 1 1 36 NH2 N N 17.364 -0.414 -0.755 1.00 . A A . 35 NH2 N 1 1 12 5391 1 1 1 ACE C C 13.433 -3.224 4.746 1.00 . A A . 0 ACE C 1 1 12 5392 1 1 1 ACE CH3 C 14.252 -2.264 3.931 1.00 . A A . 0 ACE CH3 1 1 12 5393 1 1 1 ACE H1 H 15.066 -2.813 3.469 1.00 . A A . 0 ACE H1 1 1 12 5394 1 1 1 ACE H2 H 14.651 -1.503 4.571 1.00 . A A . 0 ACE H2 1 1 12 5395 1 1 1 ACE H3 H 13.611 -1.809 3.184 1.00 . A A . 0 ACE H3 1 1 12 5396 1 1 1 ACE O O 12.867 -2.855 5.776 1.00 . A A . 0 ACE O 1 1 12 5397 1 1 2 PRO C C 11.104 -4.474 3.212 1.00 . A A . 1 PRO C 1 1 12 5398 1 1 2 PRO CA C 12.586 -4.832 3.085 1.00 . A A . 1 PRO CA 1 1 12 5399 1 1 2 PRO CB C 12.765 -6.353 2.978 1.00 . A A . 1 PRO CB 1 1 12 5400 1 1 2 PRO CD C 13.964 -5.651 4.919 1.00 . A A . 1 PRO CD 1 1 12 5401 1 1 2 PRO CG C 13.954 -6.672 3.815 1.00 . A A . 1 PRO CG 1 1 12 5402 1 1 2 PRO HA H 12.999 -4.351 2.209 1.00 . A A . 1 PRO HA 1 1 12 5403 1 1 2 PRO HB2 H 11.882 -6.855 3.353 1.00 . A A . 1 PRO HB2 1 1 12 5404 1 1 2 PRO HB3 H 12.949 -6.635 1.954 1.00 . A A . 1 PRO HB3 1 1 12 5405 1 1 2 PRO HD2 H 13.383 -5.995 5.764 1.00 . A A . 1 PRO HD2 1 1 12 5406 1 1 2 PRO HD3 H 14.978 -5.429 5.221 1.00 . A A . 1 PRO HD3 1 1 12 5407 1 1 2 PRO HG2 H 13.858 -7.672 4.221 1.00 . A A . 1 PRO HG2 1 1 12 5408 1 1 2 PRO HG3 H 14.854 -6.586 3.226 1.00 . A A . 1 PRO HG3 1 1 12 5409 1 1 2 PRO N N 13.336 -4.479 4.294 1.00 . A A . 1 PRO N 1 1 12 5410 1 1 2 PRO O O 10.410 -4.986 4.093 1.00 . A A . 1 PRO O 1 1 12 5411 1 1 3 PRO C C 8.264 -4.238 1.864 1.00 . A A . 2 PRO C 1 1 12 5412 1 1 3 PRO CA C 9.204 -3.150 2.384 1.00 . A A . 2 PRO CA 1 1 12 5413 1 1 3 PRO CB C 9.179 -1.924 1.467 1.00 . A A . 2 PRO CB 1 1 12 5414 1 1 3 PRO CD C 11.367 -2.899 1.278 1.00 . A A . 2 PRO CD 1 1 12 5415 1 1 3 PRO CG C 10.328 -2.096 0.538 1.00 . A A . 2 PRO CG 1 1 12 5416 1 1 3 PRO HA H 8.905 -2.866 3.384 1.00 . A A . 2 PRO HA 1 1 12 5417 1 1 3 PRO HB2 H 8.245 -1.892 0.920 1.00 . A A . 2 PRO HB2 1 1 12 5418 1 1 3 PRO HB3 H 9.305 -1.022 2.047 1.00 . A A . 2 PRO HB3 1 1 12 5419 1 1 3 PRO HD2 H 11.822 -3.623 0.617 1.00 . A A . 2 PRO HD2 1 1 12 5420 1 1 3 PRO HD3 H 12.122 -2.247 1.697 1.00 . A A . 2 PRO HD3 1 1 12 5421 1 1 3 PRO HG2 H 10.003 -2.626 -0.349 1.00 . A A . 2 PRO HG2 1 1 12 5422 1 1 3 PRO HG3 H 10.728 -1.130 0.273 1.00 . A A . 2 PRO HG3 1 1 12 5423 1 1 3 PRO N N 10.606 -3.574 2.350 1.00 . A A . 2 PRO N 1 1 12 5424 1 1 3 PRO O O 8.397 -4.701 0.728 1.00 . A A . 2 PRO O 1 1 12 5425 1 1 4 THR C C 5.241 -5.175 1.512 1.00 . A A . 3 THR C 1 1 12 5426 1 1 4 THR CA C 6.399 -5.708 2.348 1.00 . A A . 3 THR CA 1 1 12 5427 1 1 4 THR CB C 5.858 -6.405 3.609 1.00 . A A . 3 THR CB 1 1 12 5428 1 1 4 THR CG2 C 6.829 -7.466 4.099 1.00 . A A . 3 THR CG2 1 1 12 5429 1 1 4 THR H H 7.239 -4.220 3.573 1.00 . A A . 3 THR H 1 1 12 5430 1 1 4 THR HA H 6.941 -6.437 1.767 1.00 . A A . 3 THR HA 1 1 12 5431 1 1 4 THR HB H 4.923 -6.885 3.360 1.00 . A A . 3 THR HB 1 1 12 5432 1 1 4 THR HG1 H 4.867 -5.719 5.174 1.00 . A A . 3 THR HG1 1 1 12 5433 1 1 4 THR HG21 H 7.772 -7.006 4.349 1.00 . A A . 3 THR HG21 1 1 12 5434 1 1 4 THR HG22 H 6.982 -8.200 3.322 1.00 . A A . 3 THR HG22 1 1 12 5435 1 1 4 THR HG23 H 6.421 -7.949 4.974 1.00 . A A . 3 THR HG23 1 1 12 5436 1 1 4 THR N N 7.324 -4.649 2.700 1.00 . A A . 3 THR N 1 1 12 5437 1 1 4 THR O O 4.628 -4.161 1.851 1.00 . A A . 3 THR O 1 1 12 5438 1 1 4 THR OG1 O 5.626 -5.439 4.645 1.00 . A A . 3 THR OG1 1 1 12 5439 1 1 5 LYS C C 2.517 -5.764 0.082 1.00 . A A . 4 LYS C 1 1 12 5440 1 1 5 LYS CA C 3.895 -5.440 -0.495 1.00 . A A . 4 LYS CA 1 1 12 5441 1 1 5 LYS CB C 4.058 -6.103 -1.872 1.00 . A A . 4 LYS CB 1 1 12 5442 1 1 5 LYS CD C 3.972 -8.198 -3.257 1.00 . A A . 4 LYS CD 1 1 12 5443 1 1 5 LYS CE C 3.758 -9.703 -3.241 1.00 . A A . 4 LYS CE 1 1 12 5444 1 1 5 LYS CG C 3.816 -7.601 -1.869 1.00 . A A . 4 LYS CG 1 1 12 5445 1 1 5 LYS H H 5.473 -6.667 0.209 1.00 . A A . 4 LYS H 1 1 12 5446 1 1 5 LYS HA H 3.976 -4.373 -0.609 1.00 . A A . 4 LYS HA 1 1 12 5447 1 1 5 LYS HB2 H 3.359 -5.653 -2.561 1.00 . A A . 4 LYS HB2 1 1 12 5448 1 1 5 LYS HB3 H 5.062 -5.928 -2.228 1.00 . A A . 4 LYS HB3 1 1 12 5449 1 1 5 LYS HD2 H 3.248 -7.747 -3.917 1.00 . A A . 4 LYS HD2 1 1 12 5450 1 1 5 LYS HD3 H 4.969 -7.990 -3.616 1.00 . A A . 4 LYS HD3 1 1 12 5451 1 1 5 LYS HE2 H 3.836 -10.074 -4.251 1.00 . A A . 4 LYS HE2 1 1 12 5452 1 1 5 LYS HE3 H 4.526 -10.157 -2.632 1.00 . A A . 4 LYS HE3 1 1 12 5453 1 1 5 LYS HG2 H 4.523 -8.069 -1.206 1.00 . A A . 4 LYS HG2 1 1 12 5454 1 1 5 LYS HG3 H 2.810 -7.786 -1.519 1.00 . A A . 4 LYS HG3 1 1 12 5455 1 1 5 LYS HZ1 H 2.327 -9.725 -1.721 1.00 . A A . 4 LYS HZ1 1 1 12 5456 1 1 5 LYS HZ2 H 2.320 -11.109 -2.686 1.00 . A A . 4 LYS HZ2 1 1 12 5457 1 1 5 LYS HZ3 H 1.667 -9.665 -3.278 1.00 . A A . 4 LYS HZ3 1 1 12 5458 1 1 5 LYS N N 4.953 -5.860 0.415 1.00 . A A . 4 LYS N 1 1 12 5459 1 1 5 LYS NZ N 2.426 -10.075 -2.694 1.00 . A A . 4 LYS NZ 1 1 12 5460 1 1 5 LYS O O 2.288 -6.860 0.594 1.00 . A A . 4 LYS O 1 1 12 5461 1 1 6 PRO C C -0.602 -5.836 -0.526 1.00 . A A . 5 PRO C 1 1 12 5462 1 1 6 PRO CA C 0.205 -5.005 0.470 1.00 . A A . 5 PRO CA 1 1 12 5463 1 1 6 PRO CB C -0.351 -3.584 0.547 1.00 . A A . 5 PRO CB 1 1 12 5464 1 1 6 PRO CD C 1.827 -3.412 -0.422 1.00 . A A . 5 PRO CD 1 1 12 5465 1 1 6 PRO CG C 0.457 -2.797 -0.423 1.00 . A A . 5 PRO CG 1 1 12 5466 1 1 6 PRO HA H 0.159 -5.467 1.444 1.00 . A A . 5 PRO HA 1 1 12 5467 1 1 6 PRO HB2 H -1.397 -3.585 0.270 1.00 . A A . 5 PRO HB2 1 1 12 5468 1 1 6 PRO HB3 H -0.227 -3.188 1.539 1.00 . A A . 5 PRO HB3 1 1 12 5469 1 1 6 PRO HD2 H 2.241 -3.400 -1.420 1.00 . A A . 5 PRO HD2 1 1 12 5470 1 1 6 PRO HD3 H 2.475 -2.885 0.266 1.00 . A A . 5 PRO HD3 1 1 12 5471 1 1 6 PRO HG2 H 0.017 -2.864 -1.408 1.00 . A A . 5 PRO HG2 1 1 12 5472 1 1 6 PRO HG3 H 0.515 -1.770 -0.105 1.00 . A A . 5 PRO HG3 1 1 12 5473 1 1 6 PRO N N 1.591 -4.798 0.034 1.00 . A A . 5 PRO N 1 1 12 5474 1 1 6 PRO O O -0.207 -5.997 -1.683 1.00 . A A . 5 PRO O 1 1 12 5475 1 1 7 THR C C -3.726 -6.249 -1.479 1.00 . A A . 6 THR C 1 1 12 5476 1 1 7 THR CA C -2.610 -7.136 -0.934 1.00 . A A . 6 THR CA 1 1 12 5477 1 1 7 THR CB C -3.219 -8.347 -0.191 1.00 . A A . 6 THR CB 1 1 12 5478 1 1 7 THR CG2 C -4.213 -7.903 0.871 1.00 . A A . 6 THR CG2 1 1 12 5479 1 1 7 THR H H -1.970 -6.237 0.869 1.00 . A A . 6 THR H 1 1 12 5480 1 1 7 THR HA H -2.027 -7.507 -1.763 1.00 . A A . 6 THR HA 1 1 12 5481 1 1 7 THR HB H -2.421 -8.885 0.290 1.00 . A A . 6 THR HB 1 1 12 5482 1 1 7 THR HG1 H -3.366 -10.041 -1.189 1.00 . A A . 6 THR HG1 1 1 12 5483 1 1 7 THR HG21 H -5.014 -7.349 0.406 1.00 . A A . 6 THR HG21 1 1 12 5484 1 1 7 THR HG22 H -3.712 -7.276 1.593 1.00 . A A . 6 THR HG22 1 1 12 5485 1 1 7 THR HG23 H -4.617 -8.773 1.369 1.00 . A A . 6 THR HG23 1 1 12 5486 1 1 7 THR N N -1.728 -6.367 -0.072 1.00 . A A . 6 THR N 1 1 12 5487 1 1 7 THR O O -4.046 -5.211 -0.900 1.00 . A A . 6 THR O 1 1 12 5488 1 1 7 THR OG1 O -3.875 -9.223 -1.117 1.00 . A A . 6 THR OG1 1 1 12 5489 1 1 8 LYS C C -6.636 -5.925 -2.387 1.00 . A A . 7 LYS C 1 1 12 5490 1 1 8 LYS CA C -5.370 -5.899 -3.236 1.00 . A A . 7 LYS CA 1 1 12 5491 1 1 8 LYS CB C -5.660 -6.447 -4.635 1.00 . A A . 7 LYS CB 1 1 12 5492 1 1 8 LYS CD C -4.179 -4.809 -5.843 1.00 . A A . 7 LYS CD 1 1 12 5493 1 1 8 LYS CE C -3.092 -4.632 -6.891 1.00 . A A . 7 LYS CE 1 1 12 5494 1 1 8 LYS CG C -4.505 -6.277 -5.611 1.00 . A A . 7 LYS CG 1 1 12 5495 1 1 8 LYS H H -4.001 -7.497 -3.004 1.00 . A A . 7 LYS H 1 1 12 5496 1 1 8 LYS HA H -5.037 -4.878 -3.326 1.00 . A A . 7 LYS HA 1 1 12 5497 1 1 8 LYS HB2 H -5.885 -7.501 -4.556 1.00 . A A . 7 LYS HB2 1 1 12 5498 1 1 8 LYS HB3 H -6.521 -5.935 -5.038 1.00 . A A . 7 LYS HB3 1 1 12 5499 1 1 8 LYS HD2 H -5.070 -4.299 -6.173 1.00 . A A . 7 LYS HD2 1 1 12 5500 1 1 8 LYS HD3 H -3.838 -4.378 -4.914 1.00 . A A . 7 LYS HD3 1 1 12 5501 1 1 8 LYS HE2 H -3.421 -5.091 -7.810 1.00 . A A . 7 LYS HE2 1 1 12 5502 1 1 8 LYS HE3 H -2.938 -3.576 -7.052 1.00 . A A . 7 LYS HE3 1 1 12 5503 1 1 8 LYS HG2 H -3.635 -6.768 -5.206 1.00 . A A . 7 LYS HG2 1 1 12 5504 1 1 8 LYS HG3 H -4.772 -6.732 -6.553 1.00 . A A . 7 LYS HG3 1 1 12 5505 1 1 8 LYS HZ1 H -1.427 -4.772 -5.635 1.00 . A A . 7 LYS HZ1 1 1 12 5506 1 1 8 LYS HZ2 H -1.108 -5.168 -7.244 1.00 . A A . 7 LYS HZ2 1 1 12 5507 1 1 8 LYS HZ3 H -1.941 -6.258 -6.260 1.00 . A A . 7 LYS HZ3 1 1 12 5508 1 1 8 LYS N N -4.300 -6.657 -2.601 1.00 . A A . 7 LYS N 1 1 12 5509 1 1 8 LYS NZ N -1.804 -5.252 -6.479 1.00 . A A . 7 LYS NZ 1 1 12 5510 1 1 8 LYS O O -7.038 -6.981 -1.892 1.00 . A A . 7 LYS O 1 1 12 5511 1 1 9 PRO C C -9.638 -5.499 -1.981 1.00 . A A . 8 PRO C 1 1 12 5512 1 1 9 PRO CA C -8.509 -4.643 -1.418 1.00 . A A . 8 PRO CA 1 1 12 5513 1 1 9 PRO CB C -8.872 -3.158 -1.524 1.00 . A A . 8 PRO CB 1 1 12 5514 1 1 9 PRO CD C -6.802 -3.445 -2.678 1.00 . A A . 8 PRO CD 1 1 12 5515 1 1 9 PRO CG C -7.607 -2.463 -1.873 1.00 . A A . 8 PRO CG 1 1 12 5516 1 1 9 PRO HA H -8.353 -4.903 -0.382 1.00 . A A . 8 PRO HA 1 1 12 5517 1 1 9 PRO HB2 H -9.614 -3.017 -2.301 1.00 . A A . 8 PRO HB2 1 1 12 5518 1 1 9 PRO HB3 H -9.248 -2.799 -0.577 1.00 . A A . 8 PRO HB3 1 1 12 5519 1 1 9 PRO HD2 H -7.011 -3.331 -3.733 1.00 . A A . 8 PRO HD2 1 1 12 5520 1 1 9 PRO HD3 H -5.746 -3.310 -2.483 1.00 . A A . 8 PRO HD3 1 1 12 5521 1 1 9 PRO HG2 H -7.827 -1.582 -2.461 1.00 . A A . 8 PRO HG2 1 1 12 5522 1 1 9 PRO HG3 H -7.069 -2.191 -0.976 1.00 . A A . 8 PRO HG3 1 1 12 5523 1 1 9 PRO N N -7.267 -4.756 -2.188 1.00 . A A . 8 PRO N 1 1 12 5524 1 1 9 PRO O O -10.007 -5.371 -3.152 1.00 . A A . 8 PRO O 1 1 12 5525 1 1 10 GLY C C -12.602 -6.654 -0.992 1.00 . A A . 9 GLY C 1 1 12 5526 1 1 10 GLY CA C -11.298 -7.193 -1.539 1.00 . A A . 9 GLY CA 1 1 12 5527 1 1 10 GLY H H -9.798 -6.462 -0.240 1.00 . A A . 9 GLY H 1 1 12 5528 1 1 10 GLY HA2 H -11.353 -7.216 -2.617 1.00 . A A . 9 GLY HA2 1 1 12 5529 1 1 10 GLY HA3 H -11.153 -8.196 -1.172 1.00 . A A . 9 GLY HA3 1 1 12 5530 1 1 10 GLY N N -10.171 -6.375 -1.144 1.00 . A A . 9 GLY N 1 1 12 5531 1 1 10 GLY O O -13.418 -6.110 -1.733 1.00 . A A . 9 GLY O 1 1 12 5532 1 1 11 ASP C C -13.746 -4.842 1.456 1.00 . A A . 10 ASP C 1 1 12 5533 1 1 11 ASP CA C -13.987 -6.266 0.973 1.00 . A A . 10 ASP CA 1 1 12 5534 1 1 11 ASP CB C -14.391 -7.150 2.157 1.00 . A A . 10 ASP CB 1 1 12 5535 1 1 11 ASP CG C -14.802 -8.545 1.742 1.00 . A A . 10 ASP CG 1 1 12 5536 1 1 11 ASP H H -12.105 -7.235 0.854 1.00 . A A . 10 ASP H 1 1 12 5537 1 1 11 ASP HA H -14.787 -6.258 0.248 1.00 . A A . 10 ASP HA 1 1 12 5538 1 1 11 ASP HB2 H -13.558 -7.231 2.837 1.00 . A A . 10 ASP HB2 1 1 12 5539 1 1 11 ASP HB3 H -15.221 -6.689 2.669 1.00 . A A . 10 ASP HB3 1 1 12 5540 1 1 11 ASP N N -12.787 -6.781 0.316 1.00 . A A . 10 ASP N 1 1 12 5541 1 1 11 ASP O O -14.681 -4.071 1.666 1.00 . A A . 10 ASP O 1 1 12 5542 1 1 11 ASP OD1 O -15.927 -8.707 1.215 1.00 . A A . 10 ASP OD1 1 1 12 5543 1 1 11 ASP OD2 O -14.003 -9.485 1.934 1.00 . A A . 10 ASP OD2 1 1 12 5544 1 1 12 ASN C C -11.910 -2.241 0.858 1.00 . A A . 11 ASN C 1 1 12 5545 1 1 12 ASN CA C -12.061 -3.175 2.052 1.00 . A A . 11 ASN CA 1 1 12 5546 1 1 12 ASN CB C -10.745 -3.233 2.844 1.00 . A A . 11 ASN CB 1 1 12 5547 1 1 12 ASN CG C -9.589 -3.837 2.063 1.00 . A A . 11 ASN CG 1 1 12 5548 1 1 12 ASN H H -11.782 -5.183 1.457 1.00 . A A . 11 ASN H 1 1 12 5549 1 1 12 ASN HA H -12.838 -2.787 2.694 1.00 . A A . 11 ASN HA 1 1 12 5550 1 1 12 ASN HB2 H -10.467 -2.231 3.130 1.00 . A A . 11 ASN HB2 1 1 12 5551 1 1 12 ASN HB3 H -10.899 -3.823 3.736 1.00 . A A . 11 ASN HB3 1 1 12 5552 1 1 12 ASN HD21 H -8.293 -2.663 3.008 1.00 . A A . 11 ASN HD21 1 1 12 5553 1 1 12 ASN HD22 H -7.615 -3.746 1.851 1.00 . A A . 11 ASN HD22 1 1 12 5554 1 1 12 ASN N N -12.474 -4.507 1.623 1.00 . A A . 11 ASN N 1 1 12 5555 1 1 12 ASN ND2 N -8.378 -3.365 2.333 1.00 . A A . 11 ASN ND2 1 1 12 5556 1 1 12 ASN O O -11.392 -1.134 0.984 1.00 . A A . 11 ASN O 1 1 12 5557 1 1 12 ASN OD1 O -9.777 -4.724 1.232 1.00 . A A . 11 ASN OD1 1 1 12 5558 1 1 13 ALA C C -13.324 -0.857 -1.644 1.00 . A A . 12 ALA C 1 1 12 5559 1 1 13 ALA CA C -12.251 -1.938 -1.538 1.00 . A A . 12 ALA CA 1 1 12 5560 1 1 13 ALA CB C -12.330 -2.880 -2.727 1.00 . A A . 12 ALA CB 1 1 12 5561 1 1 13 ALA H H -12.804 -3.571 -0.324 1.00 . A A . 12 ALA H 1 1 12 5562 1 1 13 ALA HA H -11.281 -1.468 -1.548 1.00 . A A . 12 ALA HA 1 1 12 5563 1 1 13 ALA HB1 H -12.109 -2.335 -3.632 1.00 . A A . 12 ALA HB1 1 1 12 5564 1 1 13 ALA HB2 H -13.324 -3.296 -2.787 1.00 . A A . 12 ALA HB2 1 1 12 5565 1 1 13 ALA HB3 H -11.613 -3.679 -2.601 1.00 . A A . 12 ALA HB3 1 1 12 5566 1 1 13 ALA N N -12.366 -2.698 -0.300 1.00 . A A . 12 ALA N 1 1 12 5567 1 1 13 ALA O O -13.679 -0.427 -2.743 1.00 . A A . 12 ALA O 1 1 12 5568 1 1 14 THR C C -14.166 1.974 -0.814 1.00 . A A . 13 THR C 1 1 12 5569 1 1 14 THR CA C -14.820 0.644 -0.460 1.00 . A A . 13 THR CA 1 1 12 5570 1 1 14 THR CB C -15.467 0.734 0.933 1.00 . A A . 13 THR CB 1 1 12 5571 1 1 14 THR CG2 C -16.378 -0.455 1.181 1.00 . A A . 13 THR CG2 1 1 12 5572 1 1 14 THR H H -13.516 -0.804 0.339 1.00 . A A . 13 THR H 1 1 12 5573 1 1 14 THR HA H -15.591 0.425 -1.182 1.00 . A A . 13 THR HA 1 1 12 5574 1 1 14 THR HB H -16.056 1.637 0.983 1.00 . A A . 13 THR HB 1 1 12 5575 1 1 14 THR HG1 H -14.805 1.199 2.732 1.00 . A A . 13 THR HG1 1 1 12 5576 1 1 14 THR HG21 H -15.796 -1.364 1.166 1.00 . A A . 13 THR HG21 1 1 12 5577 1 1 14 THR HG22 H -17.131 -0.497 0.409 1.00 . A A . 13 THR HG22 1 1 12 5578 1 1 14 THR HG23 H -16.854 -0.349 2.144 1.00 . A A . 13 THR HG23 1 1 12 5579 1 1 14 THR N N -13.833 -0.419 -0.503 1.00 . A A . 13 THR N 1 1 12 5580 1 1 14 THR O O -13.013 2.200 -0.459 1.00 . A A . 13 THR O 1 1 12 5581 1 1 14 THR OG1 O -14.449 0.782 1.941 1.00 . A A . 13 THR OG1 1 1 12 5582 1 1 15 PRO C C -13.484 4.877 -0.971 1.00 . A A . 14 PRO C 1 1 12 5583 1 1 15 PRO CA C -14.349 4.143 -2.002 1.00 . A A . 14 PRO CA 1 1 12 5584 1 1 15 PRO CB C -15.611 4.948 -2.303 1.00 . A A . 14 PRO CB 1 1 12 5585 1 1 15 PRO CD C -16.288 2.663 -1.947 1.00 . A A . 14 PRO CD 1 1 12 5586 1 1 15 PRO CG C -16.643 3.940 -2.674 1.00 . A A . 14 PRO CG 1 1 12 5587 1 1 15 PRO HA H -13.778 4.014 -2.910 1.00 . A A . 14 PRO HA 1 1 12 5588 1 1 15 PRO HB2 H -15.909 5.503 -1.422 1.00 . A A . 14 PRO HB2 1 1 12 5589 1 1 15 PRO HB3 H -15.438 5.621 -3.127 1.00 . A A . 14 PRO HB3 1 1 12 5590 1 1 15 PRO HD2 H -16.929 2.526 -1.089 1.00 . A A . 14 PRO HD2 1 1 12 5591 1 1 15 PRO HD3 H -16.372 1.815 -2.612 1.00 . A A . 14 PRO HD3 1 1 12 5592 1 1 15 PRO HG2 H -17.619 4.294 -2.363 1.00 . A A . 14 PRO HG2 1 1 12 5593 1 1 15 PRO HG3 H -16.626 3.774 -3.743 1.00 . A A . 14 PRO HG3 1 1 12 5594 1 1 15 PRO N N -14.885 2.859 -1.527 1.00 . A A . 14 PRO N 1 1 12 5595 1 1 15 PRO O O -12.444 5.445 -1.316 1.00 . A A . 14 PRO O 1 1 12 5596 1 1 16 GLU C C -11.902 4.861 1.750 1.00 . A A . 15 GLU C 1 1 12 5597 1 1 16 GLU CA C -13.191 5.570 1.340 1.00 . A A . 15 GLU CA 1 1 12 5598 1 1 16 GLU CB C -14.088 5.770 2.563 1.00 . A A . 15 GLU CB 1 1 12 5599 1 1 16 GLU CD C -16.043 6.992 3.583 1.00 . A A . 15 GLU CD 1 1 12 5600 1 1 16 GLU CG C -15.171 6.814 2.360 1.00 . A A . 15 GLU CG 1 1 12 5601 1 1 16 GLU H H -14.703 4.326 0.517 1.00 . A A . 15 GLU H 1 1 12 5602 1 1 16 GLU HA H -12.932 6.540 0.944 1.00 . A A . 15 GLU HA 1 1 12 5603 1 1 16 GLU HB2 H -14.566 4.832 2.800 1.00 . A A . 15 GLU HB2 1 1 12 5604 1 1 16 GLU HB3 H -13.476 6.074 3.397 1.00 . A A . 15 GLU HB3 1 1 12 5605 1 1 16 GLU HG2 H -14.705 7.759 2.130 1.00 . A A . 15 GLU HG2 1 1 12 5606 1 1 16 GLU HG3 H -15.794 6.511 1.534 1.00 . A A . 15 GLU HG3 1 1 12 5607 1 1 16 GLU N N -13.903 4.850 0.289 1.00 . A A . 15 GLU N 1 1 12 5608 1 1 16 GLU O O -10.852 5.493 1.883 1.00 . A A . 15 GLU O 1 1 12 5609 1 1 16 GLU OE1 O -17.167 6.452 3.600 1.00 . A A . 15 GLU OE1 1 1 12 5610 1 1 16 GLU OE2 O -15.607 7.673 4.534 1.00 . A A . 15 GLU OE2 1 1 12 5611 1 1 17 LYS C C -9.894 2.451 1.248 1.00 . A A . 16 LYS C 1 1 12 5612 1 1 17 LYS CA C -10.819 2.800 2.412 1.00 . A A . 16 LYS CA 1 1 12 5613 1 1 17 LYS CB C -11.259 1.541 3.166 1.00 . A A . 16 LYS CB 1 1 12 5614 1 1 17 LYS CD C -10.605 -0.228 4.838 1.00 . A A . 16 LYS CD 1 1 12 5615 1 1 17 LYS CE C -9.441 -0.949 5.497 1.00 . A A . 16 LYS CE 1 1 12 5616 1 1 17 LYS CG C -10.111 0.827 3.863 1.00 . A A . 16 LYS CG 1 1 12 5617 1 1 17 LYS H H -12.807 3.080 1.746 1.00 . A A . 16 LYS H 1 1 12 5618 1 1 17 LYS HA H -10.280 3.441 3.093 1.00 . A A . 16 LYS HA 1 1 12 5619 1 1 17 LYS HB2 H -11.991 1.816 3.913 1.00 . A A . 16 LYS HB2 1 1 12 5620 1 1 17 LYS HB3 H -11.711 0.852 2.463 1.00 . A A . 16 LYS HB3 1 1 12 5621 1 1 17 LYS HD2 H -11.197 0.254 5.603 1.00 . A A . 16 LYS HD2 1 1 12 5622 1 1 17 LYS HD3 H -11.213 -0.944 4.309 1.00 . A A . 16 LYS HD3 1 1 12 5623 1 1 17 LYS HE2 H -8.836 -1.401 4.726 1.00 . A A . 16 LYS HE2 1 1 12 5624 1 1 17 LYS HE3 H -8.848 -0.227 6.039 1.00 . A A . 16 LYS HE3 1 1 12 5625 1 1 17 LYS HG2 H -9.494 0.349 3.118 1.00 . A A . 16 LYS HG2 1 1 12 5626 1 1 17 LYS HG3 H -9.524 1.556 4.403 1.00 . A A . 16 LYS HG3 1 1 12 5627 1 1 17 LYS HZ1 H -10.547 -1.615 7.136 1.00 . A A . 16 LYS HZ1 1 1 12 5628 1 1 17 LYS HZ2 H -9.073 -2.412 6.934 1.00 . A A . 16 LYS HZ2 1 1 12 5629 1 1 17 LYS HZ3 H -10.370 -2.771 5.915 1.00 . A A . 16 LYS HZ3 1 1 12 5630 1 1 17 LYS N N -11.972 3.551 1.939 1.00 . A A . 16 LYS N 1 1 12 5631 1 1 17 LYS NZ N -9.890 -2.009 6.435 1.00 . A A . 16 LYS NZ 1 1 12 5632 1 1 17 LYS O O -8.706 2.190 1.438 1.00 . A A . 16 LYS O 1 1 12 5633 1 1 18 LEU C C -8.662 3.454 -1.288 1.00 . A A . 17 LEU C 1 1 12 5634 1 1 18 LEU CA C -9.654 2.303 -1.172 1.00 . A A . 17 LEU CA 1 1 12 5635 1 1 18 LEU CB C -10.577 2.268 -2.395 1.00 . A A . 17 LEU CB 1 1 12 5636 1 1 18 LEU CD1 C -9.216 0.641 -3.728 1.00 . A A . 17 LEU CD1 1 1 12 5637 1 1 18 LEU CD2 C -10.922 2.072 -4.854 1.00 . A A . 17 LEU CD2 1 1 12 5638 1 1 18 LEU CG C -9.899 1.998 -3.736 1.00 . A A . 17 LEU CG 1 1 12 5639 1 1 18 LEU H H -11.418 2.585 -0.037 1.00 . A A . 17 LEU H 1 1 12 5640 1 1 18 LEU HA H -9.115 1.373 -1.101 1.00 . A A . 17 LEU HA 1 1 12 5641 1 1 18 LEU HB2 H -11.317 1.496 -2.236 1.00 . A A . 17 LEU HB2 1 1 12 5642 1 1 18 LEU HB3 H -11.084 3.219 -2.461 1.00 . A A . 17 LEU HB3 1 1 12 5643 1 1 18 LEU HD11 H -9.945 -0.125 -3.506 1.00 . A A . 17 LEU HD11 1 1 12 5644 1 1 18 LEU HD12 H -8.445 0.633 -2.977 1.00 . A A . 17 LEU HD12 1 1 12 5645 1 1 18 LEU HD13 H -8.780 0.453 -4.697 1.00 . A A . 17 LEU HD13 1 1 12 5646 1 1 18 LEU HD21 H -10.441 1.866 -5.798 1.00 . A A . 17 LEU HD21 1 1 12 5647 1 1 18 LEU HD22 H -11.358 3.060 -4.878 1.00 . A A . 17 LEU HD22 1 1 12 5648 1 1 18 LEU HD23 H -11.696 1.341 -4.676 1.00 . A A . 17 LEU HD23 1 1 12 5649 1 1 18 LEU HG H -9.147 2.753 -3.915 1.00 . A A . 17 LEU HG 1 1 12 5650 1 1 18 LEU N N -10.443 2.470 0.041 1.00 . A A . 17 LEU N 1 1 12 5651 1 1 18 LEU O O -7.535 3.284 -1.755 1.00 . A A . 17 LEU O 1 1 12 5652 1 1 19 ALA C C -7.177 5.657 0.272 1.00 . A A . 18 ALA C 1 1 12 5653 1 1 19 ALA CA C -8.252 5.802 -0.798 1.00 . A A . 18 ALA CA 1 1 12 5654 1 1 19 ALA CB C -9.099 7.035 -0.539 1.00 . A A . 18 ALA CB 1 1 12 5655 1 1 19 ALA H H -10.014 4.686 -0.498 1.00 . A A . 18 ALA H 1 1 12 5656 1 1 19 ALA HA H -7.782 5.906 -1.762 1.00 . A A . 18 ALA HA 1 1 12 5657 1 1 19 ALA HB1 H -8.463 7.907 -0.506 1.00 . A A . 18 ALA HB1 1 1 12 5658 1 1 19 ALA HB2 H -9.614 6.924 0.403 1.00 . A A . 18 ALA HB2 1 1 12 5659 1 1 19 ALA HB3 H -9.822 7.146 -1.333 1.00 . A A . 18 ALA HB3 1 1 12 5660 1 1 19 ALA N N -9.096 4.620 -0.828 1.00 . A A . 18 ALA N 1 1 12 5661 1 1 19 ALA O O -6.041 6.095 0.094 1.00 . A A . 18 ALA O 1 1 12 5662 1 1 20 LYS C C -5.553 3.746 1.938 1.00 . A A . 19 LYS C 1 1 12 5663 1 1 20 LYS CA C -6.597 4.732 2.447 1.00 . A A . 19 LYS CA 1 1 12 5664 1 1 20 LYS CB C -7.315 4.153 3.670 1.00 . A A . 19 LYS CB 1 1 12 5665 1 1 20 LYS CD C -7.118 3.213 6.006 1.00 . A A . 19 LYS CD 1 1 12 5666 1 1 20 LYS CE C -8.055 4.236 6.633 1.00 . A A . 19 LYS CE 1 1 12 5667 1 1 20 LYS CG C -6.372 3.782 4.806 1.00 . A A . 19 LYS CG 1 1 12 5668 1 1 20 LYS H H -8.486 4.781 1.500 1.00 . A A . 19 LYS H 1 1 12 5669 1 1 20 LYS HA H -6.104 5.651 2.726 1.00 . A A . 19 LYS HA 1 1 12 5670 1 1 20 LYS HB2 H -8.022 4.882 4.038 1.00 . A A . 19 LYS HB2 1 1 12 5671 1 1 20 LYS HB3 H -7.850 3.263 3.373 1.00 . A A . 19 LYS HB3 1 1 12 5672 1 1 20 LYS HD2 H -7.697 2.361 5.685 1.00 . A A . 19 LYS HD2 1 1 12 5673 1 1 20 LYS HD3 H -6.398 2.900 6.747 1.00 . A A . 19 LYS HD3 1 1 12 5674 1 1 20 LYS HE2 H -8.800 4.518 5.903 1.00 . A A . 19 LYS HE2 1 1 12 5675 1 1 20 LYS HE3 H -8.543 3.785 7.484 1.00 . A A . 19 LYS HE3 1 1 12 5676 1 1 20 LYS HG2 H -5.671 3.041 4.447 1.00 . A A . 19 LYS HG2 1 1 12 5677 1 1 20 LYS HG3 H -5.833 4.666 5.115 1.00 . A A . 19 LYS HG3 1 1 12 5678 1 1 20 LYS HZ1 H -6.581 5.204 7.749 1.00 . A A . 19 LYS HZ1 1 1 12 5679 1 1 20 LYS HZ2 H -7.992 6.107 7.555 1.00 . A A . 19 LYS HZ2 1 1 12 5680 1 1 20 LYS HZ3 H -6.912 5.945 6.269 1.00 . A A . 19 LYS HZ3 1 1 12 5681 1 1 20 LYS N N -7.548 5.036 1.387 1.00 . A A . 19 LYS N 1 1 12 5682 1 1 20 LYS NZ N -7.334 5.457 7.082 1.00 . A A . 19 LYS NZ 1 1 12 5683 1 1 20 LYS O O -4.372 3.848 2.264 1.00 . A A . 19 LYS O 1 1 12 5684 1 1 21 4PH C33 C -2.659 -3.010 -2.930 1.00 . A A . 20 4PH C33 1 1 12 5685 1 1 21 4PH H33 H -3.238 -3.877 -3.196 1.00 . A A . 20 4PH H33 1 1 12 5686 1 1 21 4PH H33A H -2.240 -2.565 -3.820 1.00 . A A . 20 4PH H33A 1 1 12 5687 1 1 21 4PH H33B H -1.864 -3.307 -2.261 1.00 . A A . 20 4PH H33B 1 1 12 5688 1 1 22 GLN C C -2.699 5.070 -1.254 1.00 . A A . 21 GLN C 1 1 12 5689 1 1 22 GLN CA C -3.694 4.257 -2.079 1.00 . A A . 21 GLN CA 1 1 12 5690 1 1 22 GLN CB C -4.509 5.181 -2.987 1.00 . A A . 21 GLN CB 1 1 12 5691 1 1 22 GLN CD C -4.495 3.726 -5.052 1.00 . A A . 21 GLN CD 1 1 12 5692 1 1 22 GLN CG C -5.344 4.437 -4.014 1.00 . A A . 21 GLN CG 1 1 12 5693 1 1 22 GLN H H -5.545 3.636 -1.244 1.00 . A A . 21 GLN H 1 1 12 5694 1 1 22 GLN HA H -3.143 3.561 -2.694 1.00 . A A . 21 GLN HA 1 1 12 5695 1 1 22 GLN HB2 H -5.172 5.775 -2.376 1.00 . A A . 21 GLN HB2 1 1 12 5696 1 1 22 GLN HB3 H -3.832 5.839 -3.512 1.00 . A A . 21 GLN HB3 1 1 12 5697 1 1 22 GLN HE21 H -4.399 2.098 -3.918 1.00 . A A . 21 GLN HE21 1 1 12 5698 1 1 22 GLN HE22 H -3.569 2.012 -5.427 1.00 . A A . 21 GLN HE22 1 1 12 5699 1 1 22 GLN HG2 H -5.950 3.705 -3.501 1.00 . A A . 21 GLN HG2 1 1 12 5700 1 1 22 GLN HG3 H -5.986 5.145 -4.519 1.00 . A A . 21 GLN HG3 1 1 12 5701 1 1 22 GLN N N -4.576 3.477 -1.213 1.00 . A A . 21 GLN N 1 1 12 5702 1 1 22 GLN NE2 N -4.116 2.488 -4.770 1.00 . A A . 21 GLN NE2 1 1 12 5703 1 1 22 GLN O O -1.552 5.262 -1.659 1.00 . A A . 21 GLN O 1 1 12 5704 1 1 22 GLN OE1 O -4.177 4.286 -6.100 1.00 . A A . 21 GLN OE1 1 1 12 5705 1 1 23 ALA C C -1.222 5.365 1.413 1.00 . A A . 22 ALA C 1 1 12 5706 1 1 23 ALA CA C -2.291 6.274 0.819 1.00 . A A . 22 ALA CA 1 1 12 5707 1 1 23 ALA CB C -3.128 6.901 1.920 1.00 . A A . 22 ALA CB 1 1 12 5708 1 1 23 ALA H H -4.081 5.381 0.151 1.00 . A A . 22 ALA H 1 1 12 5709 1 1 23 ALA HA H -1.813 7.066 0.266 1.00 . A A . 22 ALA HA 1 1 12 5710 1 1 23 ALA HB1 H -3.888 7.526 1.479 1.00 . A A . 22 ALA HB1 1 1 12 5711 1 1 23 ALA HB2 H -2.497 7.497 2.561 1.00 . A A . 22 ALA HB2 1 1 12 5712 1 1 23 ALA HB3 H -3.598 6.120 2.501 1.00 . A A . 22 ALA HB3 1 1 12 5713 1 1 23 ALA N N -3.146 5.535 -0.095 1.00 . A A . 22 ALA N 1 1 12 5714 1 1 23 ALA O O -0.068 5.766 1.577 1.00 . A A . 22 ALA O 1 1 12 5715 1 1 24 ASP C C 0.348 2.748 1.212 1.00 . A A . 23 ASP C 1 1 12 5716 1 1 24 ASP CA C -0.687 3.145 2.262 1.00 . A A . 23 ASP CA 1 1 12 5717 1 1 24 ASP CB C -1.454 1.910 2.757 1.00 . A A . 23 ASP CB 1 1 12 5718 1 1 24 ASP CG C -0.535 0.833 3.293 1.00 . A A . 23 ASP CG 1 1 12 5719 1 1 24 ASP H H -2.557 3.891 1.588 1.00 . A A . 23 ASP H 1 1 12 5720 1 1 24 ASP HA H -0.173 3.598 3.100 1.00 . A A . 23 ASP HA 1 1 12 5721 1 1 24 ASP HB2 H -2.127 2.203 3.549 1.00 . A A . 23 ASP HB2 1 1 12 5722 1 1 24 ASP HB3 H -2.025 1.495 1.939 1.00 . A A . 23 ASP HB3 1 1 12 5723 1 1 24 ASP N N -1.613 4.137 1.721 1.00 . A A . 23 ASP N 1 1 12 5724 1 1 24 ASP O O 1.525 2.554 1.527 1.00 . A A . 23 ASP O 1 1 12 5725 1 1 24 ASP OD1 O 0.052 1.031 4.376 1.00 . A A . 23 ASP OD1 1 1 12 5726 1 1 24 ASP OD2 O -0.387 -0.212 2.625 1.00 . A A . 23 ASP OD2 1 1 12 5727 1 1 25 LEU C C 1.867 3.436 -1.311 1.00 . A A . 24 LEU C 1 1 12 5728 1 1 25 LEU CA C 0.813 2.354 -1.151 1.00 . A A . 24 LEU CA 1 1 12 5729 1 1 25 LEU CB C 0.039 2.177 -2.464 1.00 . A A . 24 LEU CB 1 1 12 5730 1 1 25 LEU CD1 C 0.631 -0.145 -3.216 1.00 . A A . 24 LEU CD1 1 1 12 5731 1 1 25 LEU CD2 C -1.140 0.179 -1.500 1.00 . A A . 24 LEU CD2 1 1 12 5732 1 1 25 LEU CG C -0.492 0.765 -2.739 1.00 . A A . 24 LEU CG 1 1 12 5733 1 1 25 LEU H H -1.042 2.796 -0.225 1.00 . A A . 24 LEU H 1 1 12 5734 1 1 25 LEU HA H 1.310 1.424 -0.915 1.00 . A A . 24 LEU HA 1 1 12 5735 1 1 25 LEU HB2 H -0.801 2.858 -2.453 1.00 . A A . 24 LEU HB2 1 1 12 5736 1 1 25 LEU HB3 H 0.692 2.454 -3.278 1.00 . A A . 24 LEU HB3 1 1 12 5737 1 1 25 LEU HD11 H 0.236 -1.135 -3.401 1.00 . A A . 24 LEU HD11 1 1 12 5738 1 1 25 LEU HD12 H 1.398 -0.199 -2.458 1.00 . A A . 24 LEU HD12 1 1 12 5739 1 1 25 LEU HD13 H 1.052 0.250 -4.128 1.00 . A A . 24 LEU HD13 1 1 12 5740 1 1 25 LEU HD21 H -1.955 0.816 -1.187 1.00 . A A . 24 LEU HD21 1 1 12 5741 1 1 25 LEU HD22 H -0.410 0.112 -0.708 1.00 . A A . 24 LEU HD22 1 1 12 5742 1 1 25 LEU HD23 H -1.520 -0.807 -1.725 1.00 . A A . 24 LEU HD23 1 1 12 5743 1 1 25 LEU HG H -1.238 0.813 -3.519 1.00 . A A . 24 LEU HG 1 1 12 5744 1 1 25 LEU N N -0.088 2.658 -0.041 1.00 . A A . 24 LEU N 1 1 12 5745 1 1 25 LEU O O 2.982 3.159 -1.738 1.00 . A A . 24 LEU O 1 1 12 5746 1 1 26 ALA C C 3.623 5.542 -0.062 1.00 . A A . 25 ALA C 1 1 12 5747 1 1 26 ALA CA C 2.456 5.772 -1.019 1.00 . A A . 25 ALA CA 1 1 12 5748 1 1 26 ALA CB C 1.755 7.080 -0.703 1.00 . A A . 25 ALA CB 1 1 12 5749 1 1 26 ALA H H 0.598 4.828 -0.645 1.00 . A A . 25 ALA H 1 1 12 5750 1 1 26 ALA HA H 2.839 5.827 -2.028 1.00 . A A . 25 ALA HA 1 1 12 5751 1 1 26 ALA HB1 H 0.934 7.223 -1.390 1.00 . A A . 25 ALA HB1 1 1 12 5752 1 1 26 ALA HB2 H 2.456 7.896 -0.802 1.00 . A A . 25 ALA HB2 1 1 12 5753 1 1 26 ALA HB3 H 1.377 7.047 0.307 1.00 . A A . 25 ALA HB3 1 1 12 5754 1 1 26 ALA N N 1.515 4.663 -0.955 1.00 . A A . 25 ALA N 1 1 12 5755 1 1 26 ALA O O 4.743 5.979 -0.317 1.00 . A A . 25 ALA O 1 1 12 5756 1 1 27 LYS C C 5.237 3.336 1.425 1.00 . A A . 26 LYS C 1 1 12 5757 1 1 27 LYS CA C 4.403 4.484 1.978 1.00 . A A . 26 LYS CA 1 1 12 5758 1 1 27 LYS CB C 3.810 4.103 3.337 1.00 . A A . 26 LYS CB 1 1 12 5759 1 1 27 LYS CD C 2.900 4.879 5.542 1.00 . A A . 26 LYS CD 1 1 12 5760 1 1 27 LYS CE C 2.712 6.080 6.454 1.00 . A A . 26 LYS CE 1 1 12 5761 1 1 27 LYS CG C 3.355 5.297 4.156 1.00 . A A . 26 LYS CG 1 1 12 5762 1 1 27 LYS H H 2.432 4.555 1.207 1.00 . A A . 26 LYS H 1 1 12 5763 1 1 27 LYS HA H 5.040 5.345 2.104 1.00 . A A . 26 LYS HA 1 1 12 5764 1 1 27 LYS HB2 H 2.957 3.457 3.179 1.00 . A A . 26 LYS HB2 1 1 12 5765 1 1 27 LYS HB3 H 4.555 3.565 3.905 1.00 . A A . 26 LYS HB3 1 1 12 5766 1 1 27 LYS HD2 H 1.961 4.352 5.458 1.00 . A A . 26 LYS HD2 1 1 12 5767 1 1 27 LYS HD3 H 3.644 4.224 5.972 1.00 . A A . 26 LYS HD3 1 1 12 5768 1 1 27 LYS HE2 H 1.947 6.719 6.036 1.00 . A A . 26 LYS HE2 1 1 12 5769 1 1 27 LYS HE3 H 2.396 5.733 7.426 1.00 . A A . 26 LYS HE3 1 1 12 5770 1 1 27 LYS HG2 H 4.177 5.990 4.253 1.00 . A A . 26 LYS HG2 1 1 12 5771 1 1 27 LYS HG3 H 2.534 5.779 3.646 1.00 . A A . 26 LYS HG3 1 1 12 5772 1 1 27 LYS HZ1 H 4.248 7.275 5.692 1.00 . A A . 26 LYS HZ1 1 1 12 5773 1 1 27 LYS HZ2 H 4.736 6.251 6.943 1.00 . A A . 26 LYS HZ2 1 1 12 5774 1 1 27 LYS HZ3 H 3.833 7.635 7.290 1.00 . A A . 26 LYS HZ3 1 1 12 5775 1 1 27 LYS N N 3.355 4.843 1.035 1.00 . A A . 26 LYS N 1 1 12 5776 1 1 27 LYS NZ N 3.968 6.864 6.604 1.00 . A A . 26 LYS NZ 1 1 12 5777 1 1 27 LYS O O 6.468 3.366 1.479 1.00 . A A . 26 LYS O 1 1 12 5778 1 1 28 4PH C33 C 6.316 -3.854 -3.564 1.00 . A A . 27 4PH C33 1 1 12 5779 1 1 28 4PH H33 H 7.237 -3.489 -3.992 1.00 . A A . 27 4PH H33 1 1 12 5780 1 1 28 4PH H33A H 6.510 -4.752 -2.999 1.00 . A A . 27 4PH H33A 1 1 12 5781 1 1 28 4PH H33B H 5.615 -4.065 -4.360 1.00 . A A . 27 4PH H33B 1 1 12 5782 1 1 29 GLN C C 7.469 3.743 -2.583 1.00 . A A . 28 GLN C 1 1 12 5783 1 1 29 GLN CA C 6.283 2.867 -2.968 1.00 . A A . 28 GLN CA 1 1 12 5784 1 1 29 GLN CB C 5.359 3.633 -3.915 1.00 . A A . 28 GLN CB 1 1 12 5785 1 1 29 GLN CD C 4.918 1.678 -5.459 1.00 . A A . 28 GLN CD 1 1 12 5786 1 1 29 GLN CG C 4.310 2.759 -4.588 1.00 . A A . 28 GLN CG 1 1 12 5787 1 1 29 GLN H H 4.628 2.733 -1.648 1.00 . A A . 28 GLN H 1 1 12 5788 1 1 29 GLN HA H 6.653 1.988 -3.475 1.00 . A A . 28 GLN HA 1 1 12 5789 1 1 29 GLN HB2 H 4.850 4.406 -3.357 1.00 . A A . 28 GLN HB2 1 1 12 5790 1 1 29 GLN HB3 H 5.960 4.095 -4.686 1.00 . A A . 28 GLN HB3 1 1 12 5791 1 1 29 GLN HE21 H 3.340 0.513 -5.163 1.00 . A A . 28 GLN HE21 1 1 12 5792 1 1 29 GLN HE22 H 4.575 -0.143 -6.172 1.00 . A A . 28 GLN HE22 1 1 12 5793 1 1 29 GLN HG2 H 3.707 2.289 -3.825 1.00 . A A . 28 GLN HG2 1 1 12 5794 1 1 29 GLN HG3 H 3.680 3.383 -5.202 1.00 . A A . 28 GLN HG3 1 1 12 5795 1 1 29 GLN N N 5.554 2.421 -1.787 1.00 . A A . 28 GLN N 1 1 12 5796 1 1 29 GLN NE2 N 4.207 0.572 -5.612 1.00 . A A . 28 GLN NE2 1 1 12 5797 1 1 29 GLN O O 8.511 3.712 -3.239 1.00 . A A . 28 GLN O 1 1 12 5798 1 1 29 GLN OE1 O 6.012 1.840 -6.001 1.00 . A A . 28 GLN OE1 1 1 12 5799 1 1 30 LYS C C 9.584 4.618 -0.606 1.00 . A A . 29 LYS C 1 1 12 5800 1 1 30 LYS CA C 8.352 5.406 -1.042 1.00 . A A . 29 LYS CA 1 1 12 5801 1 1 30 LYS CB C 7.833 6.261 0.119 1.00 . A A . 29 LYS CB 1 1 12 5802 1 1 30 LYS CD C 8.303 8.058 1.827 1.00 . A A . 29 LYS CD 1 1 12 5803 1 1 30 LYS CE C 7.610 9.316 1.315 1.00 . A A . 29 LYS CE 1 1 12 5804 1 1 30 LYS CG C 8.872 7.209 0.697 1.00 . A A . 29 LYS CG 1 1 12 5805 1 1 30 LYS H H 6.451 4.484 -1.035 1.00 . A A . 29 LYS H 1 1 12 5806 1 1 30 LYS HA H 8.628 6.056 -1.858 1.00 . A A . 29 LYS HA 1 1 12 5807 1 1 30 LYS HB2 H 6.996 6.846 -0.227 1.00 . A A . 29 LYS HB2 1 1 12 5808 1 1 30 LYS HB3 H 7.498 5.607 0.910 1.00 . A A . 29 LYS HB3 1 1 12 5809 1 1 30 LYS HD2 H 7.585 7.468 2.376 1.00 . A A . 29 LYS HD2 1 1 12 5810 1 1 30 LYS HD3 H 9.109 8.346 2.485 1.00 . A A . 29 LYS HD3 1 1 12 5811 1 1 30 LYS HE2 H 7.303 9.909 2.164 1.00 . A A . 29 LYS HE2 1 1 12 5812 1 1 30 LYS HE3 H 8.316 9.881 0.723 1.00 . A A . 29 LYS HE3 1 1 12 5813 1 1 30 LYS HG2 H 9.699 6.632 1.079 1.00 . A A . 29 LYS HG2 1 1 12 5814 1 1 30 LYS HG3 H 9.221 7.863 -0.089 1.00 . A A . 29 LYS HG3 1 1 12 5815 1 1 30 LYS HZ1 H 6.688 8.495 -0.369 1.00 . A A . 29 LYS HZ1 1 1 12 5816 1 1 30 LYS HZ2 H 5.953 9.903 0.194 1.00 . A A . 29 LYS HZ2 1 1 12 5817 1 1 30 LYS HZ3 H 5.733 8.449 1.024 1.00 . A A . 29 LYS HZ3 1 1 12 5818 1 1 30 LYS N N 7.304 4.515 -1.516 1.00 . A A . 29 LYS N 1 1 12 5819 1 1 30 LYS NZ N 6.414 9.018 0.483 1.00 . A A . 29 LYS NZ 1 1 12 5820 1 1 30 LYS O O 10.702 4.907 -1.037 1.00 . A A . 29 LYS O 1 1 12 5821 1 1 31 ASP C C 11.030 1.898 -0.353 1.00 . A A . 30 ASP C 1 1 12 5822 1 1 31 ASP CA C 10.491 2.817 0.743 1.00 . A A . 30 ASP CA 1 1 12 5823 1 1 31 ASP CB C 10.074 2.002 1.975 1.00 . A A . 30 ASP CB 1 1 12 5824 1 1 31 ASP CG C 11.262 1.378 2.681 1.00 . A A . 30 ASP CG 1 1 12 5825 1 1 31 ASP H H 8.457 3.394 0.511 1.00 . A A . 30 ASP H 1 1 12 5826 1 1 31 ASP HA H 11.274 3.505 1.027 1.00 . A A . 30 ASP HA 1 1 12 5827 1 1 31 ASP HB2 H 9.566 2.649 2.675 1.00 . A A . 30 ASP HB2 1 1 12 5828 1 1 31 ASP HB3 H 9.403 1.211 1.670 1.00 . A A . 30 ASP HB3 1 1 12 5829 1 1 31 ASP N N 9.376 3.610 0.232 1.00 . A A . 30 ASP N 1 1 12 5830 1 1 31 ASP O O 12.219 1.574 -0.381 1.00 . A A . 30 ASP O 1 1 12 5831 1 1 31 ASP OD1 O 12.057 2.114 3.297 1.00 . A A . 30 ASP OD1 1 1 12 5832 1 1 31 ASP OD2 O 11.405 0.139 2.629 1.00 . A A . 30 ASP OD2 1 1 12 5833 1 1 32 LEU C C 11.512 1.462 -3.313 1.00 . A A . 31 LEU C 1 1 12 5834 1 1 32 LEU CA C 10.531 0.701 -2.425 1.00 . A A . 31 LEU CA 1 1 12 5835 1 1 32 LEU CB C 9.290 0.323 -3.237 1.00 . A A . 31 LEU CB 1 1 12 5836 1 1 32 LEU CD1 C 9.968 -1.999 -3.861 1.00 . A A . 31 LEU CD1 1 1 12 5837 1 1 32 LEU CD2 C 8.283 -0.778 -5.241 1.00 . A A . 31 LEU CD2 1 1 12 5838 1 1 32 LEU CG C 9.534 -0.645 -4.392 1.00 . A A . 31 LEU CG 1 1 12 5839 1 1 32 LEU H H 9.202 1.746 -1.154 1.00 . A A . 31 LEU H 1 1 12 5840 1 1 32 LEU HA H 11.009 -0.198 -2.068 1.00 . A A . 31 LEU HA 1 1 12 5841 1 1 32 LEU HB2 H 8.568 -0.125 -2.568 1.00 . A A . 31 LEU HB2 1 1 12 5842 1 1 32 LEU HB3 H 8.866 1.227 -3.643 1.00 . A A . 31 LEU HB3 1 1 12 5843 1 1 32 LEU HD11 H 9.231 -2.358 -3.158 1.00 . A A . 31 LEU HD11 1 1 12 5844 1 1 32 LEU HD12 H 10.923 -1.902 -3.367 1.00 . A A . 31 LEU HD12 1 1 12 5845 1 1 32 LEU HD13 H 10.053 -2.696 -4.682 1.00 . A A . 31 LEU HD13 1 1 12 5846 1 1 32 LEU HD21 H 8.018 0.187 -5.644 1.00 . A A . 31 LEU HD21 1 1 12 5847 1 1 32 LEU HD22 H 7.473 -1.150 -4.631 1.00 . A A . 31 LEU HD22 1 1 12 5848 1 1 32 LEU HD23 H 8.471 -1.468 -6.050 1.00 . A A . 31 LEU HD23 1 1 12 5849 1 1 32 LEU HG H 10.327 -0.259 -5.017 1.00 . A A . 31 LEU HG 1 1 12 5850 1 1 32 LEU N N 10.148 1.503 -1.269 1.00 . A A . 31 LEU N 1 1 12 5851 1 1 32 LEU O O 12.468 0.889 -3.835 1.00 . A A . 31 LEU O 1 1 12 5852 1 1 33 ALA C C 13.516 3.737 -3.705 1.00 . A A . 32 ALA C 1 1 12 5853 1 1 33 ALA CA C 12.114 3.612 -4.292 1.00 . A A . 32 ALA CA 1 1 12 5854 1 1 33 ALA CB C 11.479 4.983 -4.437 1.00 . A A . 32 ALA CB 1 1 12 5855 1 1 33 ALA H H 10.489 3.151 -3.024 1.00 . A A . 32 ALA H 1 1 12 5856 1 1 33 ALA HA H 12.182 3.168 -5.272 1.00 . A A . 32 ALA HA 1 1 12 5857 1 1 33 ALA HB1 H 11.418 5.451 -3.465 1.00 . A A . 32 ALA HB1 1 1 12 5858 1 1 33 ALA HB2 H 10.486 4.878 -4.848 1.00 . A A . 32 ALA HB2 1 1 12 5859 1 1 33 ALA HB3 H 12.082 5.592 -5.094 1.00 . A A . 32 ALA HB3 1 1 12 5860 1 1 33 ALA N N 11.268 2.758 -3.469 1.00 . A A . 32 ALA N 1 1 12 5861 1 1 33 ALA O O 14.492 3.921 -4.431 1.00 . A A . 32 ALA O 1 1 12 5862 1 1 34 ASP C C 15.572 2.350 -1.670 1.00 . A A . 33 ASP C 1 1 12 5863 1 1 34 ASP CA C 14.892 3.718 -1.699 1.00 . A A . 33 ASP CA 1 1 12 5864 1 1 34 ASP CB C 14.702 4.254 -0.275 1.00 . A A . 33 ASP CB 1 1 12 5865 1 1 34 ASP CG C 15.989 4.270 0.530 1.00 . A A . 33 ASP CG 1 1 12 5866 1 1 34 ASP H H 12.785 3.545 -1.862 1.00 . A A . 33 ASP H 1 1 12 5867 1 1 34 ASP HA H 15.520 4.401 -2.248 1.00 . A A . 33 ASP HA 1 1 12 5868 1 1 34 ASP HB2 H 14.322 5.264 -0.325 1.00 . A A . 33 ASP HB2 1 1 12 5869 1 1 34 ASP HB3 H 13.985 3.632 0.241 1.00 . A A . 33 ASP HB3 1 1 12 5870 1 1 34 ASP N N 13.606 3.648 -2.387 1.00 . A A . 33 ASP N 1 1 12 5871 1 1 34 ASP O O 16.788 2.247 -1.512 1.00 . A A . 33 ASP O 1 1 12 5872 1 1 34 ASP OD1 O 16.940 4.980 0.141 1.00 . A A . 33 ASP OD1 1 1 12 5873 1 1 34 ASP OD2 O 16.048 3.587 1.574 1.00 . A A . 33 ASP OD2 1 1 12 5874 1 1 35 4PH C33 C 15.838 -6.378 -0.615 1.00 . A A . 34 4PH C33 1 1 12 5875 1 1 35 4PH H33 H 15.080 -6.892 -0.043 1.00 . A A . 34 4PH H33 1 1 12 5876 1 1 35 4PH H33A H 15.995 -6.890 -1.553 1.00 . A A . 34 4PH H33A 1 1 12 5877 1 1 35 4PH H33B H 16.759 -6.362 -0.049 1.00 . A A . 34 4PH H33B 1 1 12 5878 1 1 36 NH2 HN1 H 17.514 -1.173 -2.245 1.00 . A A . 35 NH2 HN1 1 1 12 5879 1 1 36 NH2 HN2 H 17.602 -1.157 -3.971 1.00 . A A . 35 NH2 HN2 1 1 12 5880 1 1 36 NH2 N N 17.144 -0.958 -3.127 1.00 . A A . 35 NH2 N 1 1 13 5881 1 1 1 ACE C C 12.723 -4.438 6.720 1.00 . A A . 0 ACE C 1 1 13 5882 1 1 1 ACE CH3 C 13.537 -3.252 6.279 1.00 . A A . 0 ACE CH3 1 1 13 5883 1 1 1 ACE H1 H 14.579 -3.551 6.220 1.00 . A A . 0 ACE H1 1 1 13 5884 1 1 1 ACE H2 H 13.434 -2.461 6.996 1.00 . A A . 0 ACE H2 1 1 13 5885 1 1 1 ACE H3 H 13.171 -2.916 5.315 1.00 . A A . 0 ACE H3 1 1 13 5886 1 1 1 ACE O O 12.070 -4.405 7.765 1.00 . A A . 0 ACE O 1 1 13 5887 1 1 2 PRO C C 10.757 -5.147 4.498 1.00 . A A . 1 PRO C 1 1 13 5888 1 1 2 PRO CA C 12.238 -5.523 4.561 1.00 . A A . 1 PRO CA 1 1 13 5889 1 1 2 PRO CB C 12.443 -6.974 4.096 1.00 . A A . 1 PRO CB 1 1 13 5890 1 1 2 PRO CD C 13.299 -6.829 6.322 1.00 . A A . 1 PRO CD 1 1 13 5891 1 1 2 PRO CG C 12.657 -7.767 5.340 1.00 . A A . 1 PRO CG 1 1 13 5892 1 1 2 PRO HA H 12.806 -4.855 3.931 1.00 . A A . 1 PRO HA 1 1 13 5893 1 1 2 PRO HB2 H 11.562 -7.318 3.566 1.00 . A A . 1 PRO HB2 1 1 13 5894 1 1 2 PRO HB3 H 13.313 -7.040 3.461 1.00 . A A . 1 PRO HB3 1 1 13 5895 1 1 2 PRO HD2 H 13.013 -7.082 7.333 1.00 . A A . 1 PRO HD2 1 1 13 5896 1 1 2 PRO HD3 H 14.376 -6.841 6.217 1.00 . A A . 1 PRO HD3 1 1 13 5897 1 1 2 PRO HG2 H 11.705 -8.121 5.716 1.00 . A A . 1 PRO HG2 1 1 13 5898 1 1 2 PRO HG3 H 13.316 -8.597 5.137 1.00 . A A . 1 PRO HG3 1 1 13 5899 1 1 2 PRO N N 12.751 -5.522 5.935 1.00 . A A . 1 PRO N 1 1 13 5900 1 1 2 PRO O O 9.917 -5.807 5.113 1.00 . A A . 1 PRO O 1 1 13 5901 1 1 3 PRO C C 8.189 -4.604 2.805 1.00 . A A . 2 PRO C 1 1 13 5902 1 1 3 PRO CA C 9.031 -3.630 3.625 1.00 . A A . 2 PRO CA 1 1 13 5903 1 1 3 PRO CB C 9.155 -2.281 2.907 1.00 . A A . 2 PRO CB 1 1 13 5904 1 1 3 PRO CD C 11.355 -3.240 2.985 1.00 . A A . 2 PRO CD 1 1 13 5905 1 1 3 PRO CG C 10.454 -2.337 2.182 1.00 . A A . 2 PRO CG 1 1 13 5906 1 1 3 PRO HA H 8.575 -3.487 4.596 1.00 . A A . 2 PRO HA 1 1 13 5907 1 1 3 PRO HB2 H 8.331 -2.156 2.214 1.00 . A A . 2 PRO HB2 1 1 13 5908 1 1 3 PRO HB3 H 9.168 -1.475 3.625 1.00 . A A . 2 PRO HB3 1 1 13 5909 1 1 3 PRO HD2 H 11.961 -3.846 2.325 1.00 . A A . 2 PRO HD2 1 1 13 5910 1 1 3 PRO HD3 H 11.981 -2.661 3.645 1.00 . A A . 2 PRO HD3 1 1 13 5911 1 1 3 PRO HG2 H 10.299 -2.742 1.190 1.00 . A A . 2 PRO HG2 1 1 13 5912 1 1 3 PRO HG3 H 10.881 -1.347 2.121 1.00 . A A . 2 PRO HG3 1 1 13 5913 1 1 3 PRO N N 10.418 -4.083 3.754 1.00 . A A . 2 PRO N 1 1 13 5914 1 1 3 PRO O O 8.477 -4.859 1.632 1.00 . A A . 2 PRO O 1 1 13 5915 1 1 4 THR C C 5.150 -5.367 2.055 1.00 . A A . 3 THR C 1 1 13 5916 1 1 4 THR CA C 6.279 -6.099 2.767 1.00 . A A . 3 THR CA 1 1 13 5917 1 1 4 THR CB C 5.696 -7.110 3.770 1.00 . A A . 3 THR CB 1 1 13 5918 1 1 4 THR CG2 C 6.666 -8.255 4.014 1.00 . A A . 3 THR CG2 1 1 13 5919 1 1 4 THR H H 6.988 -4.928 4.369 1.00 . A A . 3 THR H 1 1 13 5920 1 1 4 THR HA H 6.859 -6.642 2.037 1.00 . A A . 3 THR HA 1 1 13 5921 1 1 4 THR HB H 4.783 -7.514 3.358 1.00 . A A . 3 THR HB 1 1 13 5922 1 1 4 THR HG1 H 5.145 -7.111 5.668 1.00 . A A . 3 THR HG1 1 1 13 5923 1 1 4 THR HG21 H 6.856 -8.770 3.085 1.00 . A A . 3 THR HG21 1 1 13 5924 1 1 4 THR HG22 H 6.235 -8.944 4.726 1.00 . A A . 3 THR HG22 1 1 13 5925 1 1 4 THR HG23 H 7.593 -7.866 4.407 1.00 . A A . 3 THR HG23 1 1 13 5926 1 1 4 THR N N 7.163 -5.160 3.432 1.00 . A A . 3 THR N 1 1 13 5927 1 1 4 THR O O 4.755 -4.272 2.457 1.00 . A A . 3 THR O 1 1 13 5928 1 1 4 THR OG1 O 5.397 -6.451 5.009 1.00 . A A . 3 THR OG1 1 1 13 5929 1 1 5 LYS C C 2.214 -5.715 0.794 1.00 . A A . 4 LYS C 1 1 13 5930 1 1 5 LYS CA C 3.579 -5.360 0.211 1.00 . A A . 4 LYS CA 1 1 13 5931 1 1 5 LYS CB C 3.647 -5.805 -1.255 1.00 . A A . 4 LYS CB 1 1 13 5932 1 1 5 LYS CD C 3.338 -7.648 -2.936 1.00 . A A . 4 LYS CD 1 1 13 5933 1 1 5 LYS CE C 4.677 -7.412 -3.612 1.00 . A A . 4 LYS CE 1 1 13 5934 1 1 5 LYS CG C 3.381 -7.283 -1.460 1.00 . A A . 4 LYS CG 1 1 13 5935 1 1 5 LYS H H 5.020 -6.829 0.708 1.00 . A A . 4 LYS H 1 1 13 5936 1 1 5 LYS HA H 3.708 -4.291 0.261 1.00 . A A . 4 LYS HA 1 1 13 5937 1 1 5 LYS HB2 H 2.916 -5.249 -1.823 1.00 . A A . 4 LYS HB2 1 1 13 5938 1 1 5 LYS HB3 H 4.632 -5.585 -1.639 1.00 . A A . 4 LYS HB3 1 1 13 5939 1 1 5 LYS HD2 H 3.077 -8.691 -3.032 1.00 . A A . 4 LYS HD2 1 1 13 5940 1 1 5 LYS HD3 H 2.588 -7.042 -3.423 1.00 . A A . 4 LYS HD3 1 1 13 5941 1 1 5 LYS HE2 H 4.947 -6.375 -3.500 1.00 . A A . 4 LYS HE2 1 1 13 5942 1 1 5 LYS HE3 H 5.419 -8.031 -3.131 1.00 . A A . 4 LYS HE3 1 1 13 5943 1 1 5 LYS HG2 H 4.170 -7.848 -0.986 1.00 . A A . 4 LYS HG2 1 1 13 5944 1 1 5 LYS HG3 H 2.434 -7.528 -1.005 1.00 . A A . 4 LYS HG3 1 1 13 5945 1 1 5 LYS HZ1 H 3.919 -7.161 -5.537 1.00 . A A . 4 LYS HZ1 1 1 13 5946 1 1 5 LYS HZ2 H 4.394 -8.745 -5.191 1.00 . A A . 4 LYS HZ2 1 1 13 5947 1 1 5 LYS HZ3 H 5.562 -7.561 -5.495 1.00 . A A . 4 LYS HZ3 1 1 13 5948 1 1 5 LYS N N 4.651 -5.965 0.986 1.00 . A A . 4 LYS N 1 1 13 5949 1 1 5 LYS NZ N 4.636 -7.744 -5.058 1.00 . A A . 4 LYS NZ 1 1 13 5950 1 1 5 LYS O O 2.008 -6.828 1.286 1.00 . A A . 4 LYS O 1 1 13 5951 1 1 6 PRO C C -0.891 -5.888 0.261 1.00 . A A . 5 PRO C 1 1 13 5952 1 1 6 PRO CA C -0.101 -4.997 1.214 1.00 . A A . 5 PRO CA 1 1 13 5953 1 1 6 PRO CB C -0.705 -3.593 1.242 1.00 . A A . 5 PRO CB 1 1 13 5954 1 1 6 PRO CD C 1.470 -3.383 0.277 1.00 . A A . 5 PRO CD 1 1 13 5955 1 1 6 PRO CG C 0.079 -2.819 0.244 1.00 . A A . 5 PRO CG 1 1 13 5956 1 1 6 PRO HA H -0.122 -5.423 2.206 1.00 . A A . 5 PRO HA 1 1 13 5957 1 1 6 PRO HB2 H -1.750 -3.636 0.967 1.00 . A A . 5 PRO HB2 1 1 13 5958 1 1 6 PRO HB3 H -0.591 -3.156 2.221 1.00 . A A . 5 PRO HB3 1 1 13 5959 1 1 6 PRO HD2 H 1.901 -3.375 -0.715 1.00 . A A . 5 PRO HD2 1 1 13 5960 1 1 6 PRO HD3 H 2.090 -2.824 0.966 1.00 . A A . 5 PRO HD3 1 1 13 5961 1 1 6 PRO HG2 H -0.353 -2.946 -0.741 1.00 . A A . 5 PRO HG2 1 1 13 5962 1 1 6 PRO HG3 H 0.096 -1.775 0.516 1.00 . A A . 5 PRO HG3 1 1 13 5963 1 1 6 PRO N N 1.270 -4.766 0.755 1.00 . A A . 5 PRO N 1 1 13 5964 1 1 6 PRO O O -0.537 -6.035 -0.913 1.00 . A A . 5 PRO O 1 1 13 5965 1 1 7 THR C C -3.845 -6.409 -0.767 1.00 . A A . 6 THR C 1 1 13 5966 1 1 7 THR CA C -2.843 -7.300 -0.036 1.00 . A A . 6 THR CA 1 1 13 5967 1 1 7 THR CB C -3.587 -8.351 0.826 1.00 . A A . 6 THR CB 1 1 13 5968 1 1 7 THR CG2 C -4.429 -7.684 1.902 1.00 . A A . 6 THR CG2 1 1 13 5969 1 1 7 THR H H -2.138 -6.387 1.733 1.00 . A A . 6 THR H 1 1 13 5970 1 1 7 THR HA H -2.245 -7.823 -0.768 1.00 . A A . 6 THR HA 1 1 13 5971 1 1 7 THR HB H -2.851 -8.973 1.309 1.00 . A A . 6 THR HB 1 1 13 5972 1 1 7 THR HG1 H -3.903 -9.561 -0.706 1.00 . A A . 6 THR HG1 1 1 13 5973 1 1 7 THR HG21 H -3.790 -7.118 2.562 1.00 . A A . 6 THR HG21 1 1 13 5974 1 1 7 THR HG22 H -4.954 -8.438 2.468 1.00 . A A . 6 THR HG22 1 1 13 5975 1 1 7 THR HG23 H -5.143 -7.020 1.437 1.00 . A A . 6 THR HG23 1 1 13 5976 1 1 7 THR N N -1.952 -6.490 0.775 1.00 . A A . 6 THR N 1 1 13 5977 1 1 7 THR O O -4.161 -5.307 -0.313 1.00 . A A . 6 THR O 1 1 13 5978 1 1 7 THR OG1 O -4.429 -9.181 0.012 1.00 . A A . 6 THR OG1 1 1 13 5979 1 1 8 LYS C C -6.656 -6.160 -2.055 1.00 . A A . 7 LYS C 1 1 13 5980 1 1 8 LYS CA C -5.278 -6.138 -2.711 1.00 . A A . 7 LYS CA 1 1 13 5981 1 1 8 LYS CB C -5.386 -6.719 -4.131 1.00 . A A . 7 LYS CB 1 1 13 5982 1 1 8 LYS CD C -2.913 -6.955 -4.625 1.00 . A A . 7 LYS CD 1 1 13 5983 1 1 8 LYS CE C -1.804 -6.654 -5.621 1.00 . A A . 7 LYS CE 1 1 13 5984 1 1 8 LYS CG C -4.238 -6.358 -5.071 1.00 . A A . 7 LYS CG 1 1 13 5985 1 1 8 LYS H H -4.019 -7.765 -2.214 1.00 . A A . 7 LYS H 1 1 13 5986 1 1 8 LYS HA H -4.937 -5.116 -2.773 1.00 . A A . 7 LYS HA 1 1 13 5987 1 1 8 LYS HB2 H -5.427 -7.795 -4.057 1.00 . A A . 7 LYS HB2 1 1 13 5988 1 1 8 LYS HB3 H -6.306 -6.369 -4.575 1.00 . A A . 7 LYS HB3 1 1 13 5989 1 1 8 LYS HD2 H -2.644 -6.537 -3.665 1.00 . A A . 7 LYS HD2 1 1 13 5990 1 1 8 LYS HD3 H -3.025 -8.027 -4.539 1.00 . A A . 7 LYS HD3 1 1 13 5991 1 1 8 LYS HE2 H -0.891 -7.110 -5.271 1.00 . A A . 7 LYS HE2 1 1 13 5992 1 1 8 LYS HE3 H -2.071 -7.078 -6.577 1.00 . A A . 7 LYS HE3 1 1 13 5993 1 1 8 LYS HG2 H -4.469 -6.733 -6.056 1.00 . A A . 7 LYS HG2 1 1 13 5994 1 1 8 LYS HG3 H -4.144 -5.283 -5.112 1.00 . A A . 7 LYS HG3 1 1 13 5995 1 1 8 LYS HZ1 H -1.277 -4.772 -4.884 1.00 . A A . 7 LYS HZ1 1 1 13 5996 1 1 8 LYS HZ2 H -2.456 -4.728 -6.096 1.00 . A A . 7 LYS HZ2 1 1 13 5997 1 1 8 LYS HZ3 H -0.844 -5.024 -6.497 1.00 . A A . 7 LYS HZ3 1 1 13 5998 1 1 8 LYS N N -4.318 -6.883 -1.908 1.00 . A A . 7 LYS N 1 1 13 5999 1 1 8 LYS NZ N -1.581 -5.194 -5.786 1.00 . A A . 7 LYS NZ 1 1 13 6000 1 1 8 LYS O O -7.186 -7.233 -1.757 1.00 . A A . 7 LYS O 1 1 13 6001 1 1 9 PRO C C -9.632 -5.594 -2.112 1.00 . A A . 8 PRO C 1 1 13 6002 1 1 9 PRO CA C -8.596 -4.881 -1.246 1.00 . A A . 8 PRO CA 1 1 13 6003 1 1 9 PRO CB C -8.864 -3.372 -1.219 1.00 . A A . 8 PRO CB 1 1 13 6004 1 1 9 PRO CD C -6.644 -3.653 -2.034 1.00 . A A . 8 PRO CD 1 1 13 6005 1 1 9 PRO CG C -7.521 -2.735 -1.229 1.00 . A A . 8 PRO CG 1 1 13 6006 1 1 9 PRO HA H -8.639 -5.276 -0.242 1.00 . A A . 8 PRO HA 1 1 13 6007 1 1 9 PRO HB2 H -9.433 -3.085 -2.097 1.00 . A A . 8 PRO HB2 1 1 13 6008 1 1 9 PRO HB3 H -9.400 -3.106 -0.320 1.00 . A A . 8 PRO HB3 1 1 13 6009 1 1 9 PRO HD2 H -6.679 -3.386 -3.083 1.00 . A A . 8 PRO HD2 1 1 13 6010 1 1 9 PRO HD3 H -5.626 -3.621 -1.667 1.00 . A A . 8 PRO HD3 1 1 13 6011 1 1 9 PRO HG2 H -7.582 -1.760 -1.694 1.00 . A A . 8 PRO HG2 1 1 13 6012 1 1 9 PRO HG3 H -7.140 -2.649 -0.221 1.00 . A A . 8 PRO HG3 1 1 13 6013 1 1 9 PRO N N -7.246 -4.981 -1.806 1.00 . A A . 8 PRO N 1 1 13 6014 1 1 9 PRO O O -9.749 -5.320 -3.309 1.00 . A A . 8 PRO O 1 1 13 6015 1 1 10 GLY C C -12.766 -6.736 -1.971 1.00 . A A . 9 GLY C 1 1 13 6016 1 1 10 GLY CA C -11.374 -7.265 -2.232 1.00 . A A . 9 GLY CA 1 1 13 6017 1 1 10 GLY H H -10.228 -6.688 -0.547 1.00 . A A . 9 GLY H 1 1 13 6018 1 1 10 GLY HA2 H -11.166 -7.198 -3.288 1.00 . A A . 9 GLY HA2 1 1 13 6019 1 1 10 GLY HA3 H -11.332 -8.301 -1.930 1.00 . A A . 9 GLY HA3 1 1 13 6020 1 1 10 GLY N N -10.364 -6.520 -1.506 1.00 . A A . 9 GLY N 1 1 13 6021 1 1 10 GLY O O -13.386 -6.134 -2.844 1.00 . A A . 9 GLY O 1 1 13 6022 1 1 11 ASP C C -14.386 -5.145 0.399 1.00 . A A . 10 ASP C 1 1 13 6023 1 1 11 ASP CA C -14.561 -6.445 -0.361 1.00 . A A . 10 ASP CA 1 1 13 6024 1 1 11 ASP CB C -15.310 -7.454 0.509 1.00 . A A . 10 ASP CB 1 1 13 6025 1 1 11 ASP CG C -15.680 -8.715 -0.240 1.00 . A A . 10 ASP CG 1 1 13 6026 1 1 11 ASP H H -12.734 -7.487 -0.125 1.00 . A A . 10 ASP H 1 1 13 6027 1 1 11 ASP HA H -15.136 -6.254 -1.255 1.00 . A A . 10 ASP HA 1 1 13 6028 1 1 11 ASP HB2 H -14.689 -7.727 1.349 1.00 . A A . 10 ASP HB2 1 1 13 6029 1 1 11 ASP HB3 H -16.216 -6.996 0.874 1.00 . A A . 10 ASP HB3 1 1 13 6030 1 1 11 ASP N N -13.258 -6.960 -0.764 1.00 . A A . 10 ASP N 1 1 13 6031 1 1 11 ASP O O -15.315 -4.351 0.530 1.00 . A A . 10 ASP O 1 1 13 6032 1 1 11 ASP OD1 O -16.413 -8.617 -1.245 1.00 . A A . 10 ASP OD1 1 1 13 6033 1 1 11 ASP OD2 O -15.238 -9.808 0.172 1.00 . A A . 10 ASP OD2 1 1 13 6034 1 1 12 ASN C C -12.357 -2.638 0.664 1.00 . A A . 11 ASN C 1 1 13 6035 1 1 12 ASN CA C -12.842 -3.719 1.622 1.00 . A A . 11 ASN CA 1 1 13 6036 1 1 12 ASN CB C -11.788 -3.983 2.707 1.00 . A A . 11 ASN CB 1 1 13 6037 1 1 12 ASN CG C -10.440 -4.414 2.151 1.00 . A A . 11 ASN CG 1 1 13 6038 1 1 12 ASN H H -12.482 -5.618 0.768 1.00 . A A . 11 ASN H 1 1 13 6039 1 1 12 ASN HA H -13.748 -3.371 2.094 1.00 . A A . 11 ASN HA 1 1 13 6040 1 1 12 ASN HB2 H -11.644 -3.082 3.282 1.00 . A A . 11 ASN HB2 1 1 13 6041 1 1 12 ASN HB3 H -12.150 -4.763 3.362 1.00 . A A . 11 ASN HB3 1 1 13 6042 1 1 12 ASN HD21 H -9.505 -3.537 3.667 1.00 . A A . 11 ASN HD21 1 1 13 6043 1 1 12 ASN HD22 H -8.489 -4.328 2.520 1.00 . A A . 11 ASN HD22 1 1 13 6044 1 1 12 ASN N N -13.176 -4.934 0.894 1.00 . A A . 11 ASN N 1 1 13 6045 1 1 12 ASN ND2 N -9.371 -4.053 2.847 1.00 . A A . 11 ASN ND2 1 1 13 6046 1 1 12 ASN O O -11.844 -1.607 1.087 1.00 . A A . 11 ASN O 1 1 13 6047 1 1 12 ASN OD1 O -10.359 -5.064 1.112 1.00 . A A . 11 ASN OD1 1 1 13 6048 1 1 13 ALA C C -13.063 -0.767 -1.782 1.00 . A A . 12 ALA C 1 1 13 6049 1 1 13 ALA CA C -12.099 -1.946 -1.663 1.00 . A A . 12 ALA CA 1 1 13 6050 1 1 13 ALA CB C -11.977 -2.665 -2.996 1.00 . A A . 12 ALA CB 1 1 13 6051 1 1 13 ALA H H -12.953 -3.721 -0.901 1.00 . A A . 12 ALA H 1 1 13 6052 1 1 13 ALA HA H -11.125 -1.574 -1.393 1.00 . A A . 12 ALA HA 1 1 13 6053 1 1 13 ALA HB1 H -11.336 -3.526 -2.883 1.00 . A A . 12 ALA HB1 1 1 13 6054 1 1 13 ALA HB2 H -11.554 -1.993 -3.729 1.00 . A A . 12 ALA HB2 1 1 13 6055 1 1 13 ALA HB3 H -12.954 -2.985 -3.324 1.00 . A A . 12 ALA HB3 1 1 13 6056 1 1 13 ALA N N -12.522 -2.885 -0.630 1.00 . A A . 12 ALA N 1 1 13 6057 1 1 13 ALA O O -13.139 -0.115 -2.826 1.00 . A A . 12 ALA O 1 1 13 6058 1 1 14 THR C C -13.907 1.939 -0.778 1.00 . A A . 13 THR C 1 1 13 6059 1 1 14 THR CA C -14.690 0.637 -0.655 1.00 . A A . 13 THR CA 1 1 13 6060 1 1 14 THR CB C -15.491 0.628 0.658 1.00 . A A . 13 THR CB 1 1 13 6061 1 1 14 THR CG2 C -16.588 -0.420 0.611 1.00 . A A . 13 THR CG2 1 1 13 6062 1 1 14 THR H H -13.686 -1.057 0.085 1.00 . A A . 13 THR H 1 1 13 6063 1 1 14 THR HA H -15.381 0.558 -1.479 1.00 . A A . 13 THR HA 1 1 13 6064 1 1 14 THR HB H -15.946 1.596 0.790 1.00 . A A . 13 THR HB 1 1 13 6065 1 1 14 THR HG1 H -14.740 1.043 2.439 1.00 . A A . 13 THR HG1 1 1 13 6066 1 1 14 THR HG21 H -16.147 -1.399 0.487 1.00 . A A . 13 THR HG21 1 1 13 6067 1 1 14 THR HG22 H -17.246 -0.214 -0.219 1.00 . A A . 13 THR HG22 1 1 13 6068 1 1 14 THR HG23 H -17.150 -0.394 1.532 1.00 . A A . 13 THR HG23 1 1 13 6069 1 1 14 THR N N -13.784 -0.492 -0.708 1.00 . A A . 13 THR N 1 1 13 6070 1 1 14 THR O O -12.799 2.041 -0.255 1.00 . A A . 13 THR O 1 1 13 6071 1 1 14 THR OG1 O -14.616 0.364 1.765 1.00 . A A . 13 THR OG1 1 1 13 6072 1 1 15 PRO C C -13.035 4.783 -0.548 1.00 . A A . 14 PRO C 1 1 13 6073 1 1 15 PRO CA C -13.810 4.225 -1.746 1.00 . A A . 14 PRO CA 1 1 13 6074 1 1 15 PRO CB C -14.987 5.136 -2.091 1.00 . A A . 14 PRO CB 1 1 13 6075 1 1 15 PRO CD C -15.790 2.864 -2.141 1.00 . A A . 14 PRO CD 1 1 13 6076 1 1 15 PRO CG C -15.990 4.243 -2.734 1.00 . A A . 14 PRO CG 1 1 13 6077 1 1 15 PRO HA H -13.145 4.163 -2.595 1.00 . A A . 14 PRO HA 1 1 13 6078 1 1 15 PRO HB2 H -15.384 5.581 -1.187 1.00 . A A . 14 PRO HB2 1 1 13 6079 1 1 15 PRO HB3 H -14.678 5.903 -2.782 1.00 . A A . 14 PRO HB3 1 1 13 6080 1 1 15 PRO HD2 H -16.561 2.649 -1.415 1.00 . A A . 14 PRO HD2 1 1 13 6081 1 1 15 PRO HD3 H -15.794 2.114 -2.919 1.00 . A A . 14 PRO HD3 1 1 13 6082 1 1 15 PRO HG2 H -16.988 4.607 -2.518 1.00 . A A . 14 PRO HG2 1 1 13 6083 1 1 15 PRO HG3 H -15.822 4.213 -3.801 1.00 . A A . 14 PRO HG3 1 1 13 6084 1 1 15 PRO N N -14.465 2.934 -1.492 1.00 . A A . 14 PRO N 1 1 13 6085 1 1 15 PRO O O -11.942 5.325 -0.715 1.00 . A A . 14 PRO O 1 1 13 6086 1 1 16 GLU C C -11.628 4.402 2.132 1.00 . A A . 15 GLU C 1 1 13 6087 1 1 16 GLU CA C -12.934 5.148 1.857 1.00 . A A . 15 GLU CA 1 1 13 6088 1 1 16 GLU CB C -13.865 5.031 3.066 1.00 . A A . 15 GLU CB 1 1 13 6089 1 1 16 GLU CD C -15.973 5.796 4.212 1.00 . A A . 15 GLU CD 1 1 13 6090 1 1 16 GLU CG C -15.026 6.009 3.051 1.00 . A A . 15 GLU CG 1 1 13 6091 1 1 16 GLU H H -14.461 4.195 0.727 1.00 . A A . 15 GLU H 1 1 13 6092 1 1 16 GLU HA H -12.705 6.188 1.693 1.00 . A A . 15 GLU HA 1 1 13 6093 1 1 16 GLU HB2 H -14.273 4.033 3.093 1.00 . A A . 15 GLU HB2 1 1 13 6094 1 1 16 GLU HB3 H -13.292 5.201 3.964 1.00 . A A . 15 GLU HB3 1 1 13 6095 1 1 16 GLU HG2 H -14.637 7.015 3.100 1.00 . A A . 15 GLU HG2 1 1 13 6096 1 1 16 GLU HG3 H -15.574 5.881 2.130 1.00 . A A . 15 GLU HG3 1 1 13 6097 1 1 16 GLU N N -13.590 4.646 0.651 1.00 . A A . 15 GLU N 1 1 13 6098 1 1 16 GLU O O -10.571 5.014 2.300 1.00 . A A . 15 GLU O 1 1 13 6099 1 1 16 GLU OE1 O -17.040 5.184 4.009 1.00 . A A . 15 GLU OE1 1 1 13 6100 1 1 16 GLU OE2 O -15.649 6.226 5.342 1.00 . A A . 15 GLU OE2 1 1 13 6101 1 1 17 LYS C C -9.586 2.208 1.279 1.00 . A A . 16 LYS C 1 1 13 6102 1 1 17 LYS CA C -10.536 2.260 2.471 1.00 . A A . 16 LYS CA 1 1 13 6103 1 1 17 LYS CB C -10.974 0.846 2.874 1.00 . A A . 16 LYS CB 1 1 13 6104 1 1 17 LYS CD C -8.928 0.295 4.255 1.00 . A A . 16 LYS CD 1 1 13 6105 1 1 17 LYS CE C -7.800 -0.702 4.467 1.00 . A A . 16 LYS CE 1 1 13 6106 1 1 17 LYS CG C -9.822 -0.128 3.100 1.00 . A A . 16 LYS CG 1 1 13 6107 1 1 17 LYS H H -12.549 2.644 1.952 1.00 . A A . 16 LYS H 1 1 13 6108 1 1 17 LYS HA H -10.023 2.719 3.303 1.00 . A A . 16 LYS HA 1 1 13 6109 1 1 17 LYS HB2 H -11.543 0.909 3.793 1.00 . A A . 16 LYS HB2 1 1 13 6110 1 1 17 LYS HB3 H -11.609 0.442 2.096 1.00 . A A . 16 LYS HB3 1 1 13 6111 1 1 17 LYS HD2 H -8.504 1.263 4.034 1.00 . A A . 16 LYS HD2 1 1 13 6112 1 1 17 LYS HD3 H -9.520 0.354 5.155 1.00 . A A . 16 LYS HD3 1 1 13 6113 1 1 17 LYS HE2 H -8.227 -1.669 4.681 1.00 . A A . 16 LYS HE2 1 1 13 6114 1 1 17 LYS HE3 H -7.216 -0.762 3.560 1.00 . A A . 16 LYS HE3 1 1 13 6115 1 1 17 LYS HG2 H -10.229 -1.104 3.318 1.00 . A A . 16 LYS HG2 1 1 13 6116 1 1 17 LYS HG3 H -9.230 -0.180 2.199 1.00 . A A . 16 LYS HG3 1 1 13 6117 1 1 17 LYS HZ1 H -7.464 -0.182 6.462 1.00 . A A . 16 LYS HZ1 1 1 13 6118 1 1 17 LYS HZ2 H -6.421 0.578 5.370 1.00 . A A . 16 LYS HZ2 1 1 13 6119 1 1 17 LYS HZ3 H -6.198 -1.049 5.755 1.00 . A A . 16 LYS HZ3 1 1 13 6120 1 1 17 LYS N N -11.698 3.081 2.162 1.00 . A A . 16 LYS N 1 1 13 6121 1 1 17 LYS NZ N -6.911 -0.311 5.591 1.00 . A A . 16 LYS NZ 1 1 13 6122 1 1 17 LYS O O -8.370 2.159 1.446 1.00 . A A . 16 LYS O 1 1 13 6123 1 1 18 LEU C C -8.517 3.477 -1.257 1.00 . A A . 17 LEU C 1 1 13 6124 1 1 18 LEU CA C -9.366 2.215 -1.145 1.00 . A A . 17 LEU CA 1 1 13 6125 1 1 18 LEU CB C -10.296 2.082 -2.352 1.00 . A A . 17 LEU CB 1 1 13 6126 1 1 18 LEU CD1 C -8.819 0.508 -3.625 1.00 . A A . 17 LEU CD1 1 1 13 6127 1 1 18 LEU CD2 C -10.663 1.715 -4.786 1.00 . A A . 17 LEU CD2 1 1 13 6128 1 1 18 LEU CG C -9.618 1.800 -3.691 1.00 . A A . 17 LEU CG 1 1 13 6129 1 1 18 LEU H H -11.133 2.298 0.018 1.00 . A A . 17 LEU H 1 1 13 6130 1 1 18 LEU HA H -8.718 1.356 -1.102 1.00 . A A . 17 LEU HA 1 1 13 6131 1 1 18 LEU HB2 H -10.991 1.278 -2.156 1.00 . A A . 17 LEU HB2 1 1 13 6132 1 1 18 LEU HB3 H -10.854 3.000 -2.446 1.00 . A A . 17 LEU HB3 1 1 13 6133 1 1 18 LEU HD11 H -8.387 0.302 -4.594 1.00 . A A . 17 LEU HD11 1 1 13 6134 1 1 18 LEU HD12 H -9.472 -0.304 -3.342 1.00 . A A . 17 LEU HD12 1 1 13 6135 1 1 18 LEU HD13 H -8.032 0.608 -2.896 1.00 . A A . 17 LEU HD13 1 1 13 6136 1 1 18 LEU HD21 H -10.180 1.534 -5.734 1.00 . A A . 17 LEU HD21 1 1 13 6137 1 1 18 LEU HD22 H -11.214 2.642 -4.830 1.00 . A A . 17 LEU HD22 1 1 13 6138 1 1 18 LEU HD23 H -11.342 0.902 -4.566 1.00 . A A . 17 LEU HD23 1 1 13 6139 1 1 18 LEU HG H -8.941 2.606 -3.930 1.00 . A A . 17 LEU HG 1 1 13 6140 1 1 18 LEU N N -10.152 2.247 0.081 1.00 . A A . 17 LEU N 1 1 13 6141 1 1 18 LEU O O -7.403 3.451 -1.781 1.00 . A A . 17 LEU O 1 1 13 6142 1 1 19 ALA C C -7.197 5.812 0.285 1.00 . A A . 18 ALA C 1 1 13 6143 1 1 19 ALA CA C -8.337 5.842 -0.723 1.00 . A A . 18 ALA CA 1 1 13 6144 1 1 19 ALA CB C -9.296 6.971 -0.406 1.00 . A A . 18 ALA CB 1 1 13 6145 1 1 19 ALA H H -9.947 4.531 -0.355 1.00 . A A . 18 ALA H 1 1 13 6146 1 1 19 ALA HA H -7.931 6.008 -1.709 1.00 . A A . 18 ALA HA 1 1 13 6147 1 1 19 ALA HB1 H -8.766 7.910 -0.424 1.00 . A A . 18 ALA HB1 1 1 13 6148 1 1 19 ALA HB2 H -9.722 6.814 0.574 1.00 . A A . 18 ALA HB2 1 1 13 6149 1 1 19 ALA HB3 H -10.085 6.987 -1.142 1.00 . A A . 18 ALA HB3 1 1 13 6150 1 1 19 ALA N N -9.046 4.575 -0.736 1.00 . A A . 18 ALA N 1 1 13 6151 1 1 19 ALA O O -6.095 6.290 0.008 1.00 . A A . 18 ALA O 1 1 13 6152 1 1 20 LYS C C -5.379 4.105 2.007 1.00 . A A . 19 LYS C 1 1 13 6153 1 1 20 LYS CA C -6.436 5.097 2.481 1.00 . A A . 19 LYS CA 1 1 13 6154 1 1 20 LYS CB C -7.042 4.625 3.803 1.00 . A A . 19 LYS CB 1 1 13 6155 1 1 20 LYS CD C -6.674 4.148 6.244 1.00 . A A . 19 LYS CD 1 1 13 6156 1 1 20 LYS CE C -5.705 4.276 7.409 1.00 . A A . 19 LYS CE 1 1 13 6157 1 1 20 LYS CG C -6.049 4.641 4.952 1.00 . A A . 19 LYS CG 1 1 13 6158 1 1 20 LYS H H -8.379 4.946 1.647 1.00 . A A . 19 LYS H 1 1 13 6159 1 1 20 LYS HA H -5.970 6.059 2.628 1.00 . A A . 19 LYS HA 1 1 13 6160 1 1 20 LYS HB2 H -7.869 5.271 4.057 1.00 . A A . 19 LYS HB2 1 1 13 6161 1 1 20 LYS HB3 H -7.406 3.615 3.682 1.00 . A A . 19 LYS HB3 1 1 13 6162 1 1 20 LYS HD2 H -7.554 4.738 6.455 1.00 . A A . 19 LYS HD2 1 1 13 6163 1 1 20 LYS HD3 H -6.951 3.111 6.128 1.00 . A A . 19 LYS HD3 1 1 13 6164 1 1 20 LYS HE2 H -6.166 3.862 8.292 1.00 . A A . 19 LYS HE2 1 1 13 6165 1 1 20 LYS HE3 H -4.809 3.720 7.177 1.00 . A A . 19 LYS HE3 1 1 13 6166 1 1 20 LYS HG2 H -5.217 4.000 4.699 1.00 . A A . 19 LYS HG2 1 1 13 6167 1 1 20 LYS HG3 H -5.695 5.651 5.094 1.00 . A A . 19 LYS HG3 1 1 13 6168 1 1 20 LYS HZ1 H -6.191 6.241 7.919 1.00 . A A . 19 LYS HZ1 1 1 13 6169 1 1 20 LYS HZ2 H -4.909 6.115 6.827 1.00 . A A . 19 LYS HZ2 1 1 13 6170 1 1 20 LYS HZ3 H -4.664 5.750 8.458 1.00 . A A . 19 LYS HZ3 1 1 13 6171 1 1 20 LYS N N -7.466 5.250 1.460 1.00 . A A . 19 LYS N 1 1 13 6172 1 1 20 LYS NZ N -5.341 5.692 7.673 1.00 . A A . 19 LYS NZ 1 1 13 6173 1 1 20 LYS O O -4.198 4.227 2.331 1.00 . A A . 19 LYS O 1 1 13 6174 1 1 21 4PH C33 C -2.770 -3.029 -2.587 1.00 . A A . 20 4PH C33 1 1 13 6175 1 1 21 4PH H33 H -2.926 -3.942 -2.032 1.00 . A A . 20 4PH H33 1 1 13 6176 1 1 21 4PH H33A H -3.085 -3.164 -3.611 1.00 . A A . 20 4PH H33A 1 1 13 6177 1 1 21 4PH H33B H -1.718 -2.773 -2.559 1.00 . A A . 20 4PH H33B 1 1 13 6178 1 1 22 GLN C C -2.489 5.417 -1.036 1.00 . A A . 21 GLN C 1 1 13 6179 1 1 22 GLN CA C -3.518 4.675 -1.884 1.00 . A A . 21 GLN CA 1 1 13 6180 1 1 22 GLN CB C -4.340 5.681 -2.691 1.00 . A A . 21 GLN CB 1 1 13 6181 1 1 22 GLN CD C -4.277 4.462 -4.892 1.00 . A A . 21 GLN CD 1 1 13 6182 1 1 22 GLN CG C -5.152 5.048 -3.805 1.00 . A A . 21 GLN CG 1 1 13 6183 1 1 22 GLN H H -5.364 3.998 -1.090 1.00 . A A . 21 GLN H 1 1 13 6184 1 1 22 GLN HA H -2.998 4.020 -2.567 1.00 . A A . 21 GLN HA 1 1 13 6185 1 1 22 GLN HB2 H -5.019 6.192 -2.024 1.00 . A A . 21 GLN HB2 1 1 13 6186 1 1 22 GLN HB3 H -3.670 6.405 -3.132 1.00 . A A . 21 GLN HB3 1 1 13 6187 1 1 22 GLN HE21 H -4.243 2.701 -3.976 1.00 . A A . 21 GLN HE21 1 1 13 6188 1 1 22 GLN HE22 H -3.348 2.800 -5.447 1.00 . A A . 21 GLN HE22 1 1 13 6189 1 1 22 GLN HG2 H -5.759 4.259 -3.384 1.00 . A A . 21 GLN HG2 1 1 13 6190 1 1 22 GLN HG3 H -5.790 5.802 -4.244 1.00 . A A . 21 GLN HG3 1 1 13 6191 1 1 22 GLN N N -4.393 3.848 -1.056 1.00 . A A . 21 GLN N 1 1 13 6192 1 1 22 GLN NE2 N -3.924 3.194 -4.759 1.00 . A A . 21 GLN NE2 1 1 13 6193 1 1 22 GLN O O -1.337 5.581 -1.445 1.00 . A A . 21 GLN O 1 1 13 6194 1 1 22 GLN OE1 O -3.918 5.148 -5.849 1.00 . A A . 21 GLN OE1 1 1 13 6195 1 1 23 ALA C C -0.933 5.694 1.603 1.00 . A A . 22 ALA C 1 1 13 6196 1 1 23 ALA CA C -2.033 6.590 1.046 1.00 . A A . 22 ALA CA 1 1 13 6197 1 1 23 ALA CB C -2.843 7.197 2.178 1.00 . A A . 22 ALA CB 1 1 13 6198 1 1 23 ALA H H -3.828 5.669 0.422 1.00 . A A . 22 ALA H 1 1 13 6199 1 1 23 ALA HA H -1.581 7.396 0.487 1.00 . A A . 22 ALA HA 1 1 13 6200 1 1 23 ALA HB1 H -3.609 7.838 1.768 1.00 . A A . 22 ALA HB1 1 1 13 6201 1 1 23 ALA HB2 H -2.193 7.775 2.817 1.00 . A A . 22 ALA HB2 1 1 13 6202 1 1 23 ALA HB3 H -3.304 6.405 2.750 1.00 . A A . 22 ALA HB3 1 1 13 6203 1 1 23 ALA N N -2.907 5.852 0.145 1.00 . A A . 22 ALA N 1 1 13 6204 1 1 23 ALA O O 0.228 6.100 1.696 1.00 . A A . 22 ALA O 1 1 13 6205 1 1 24 ASP C C 0.569 2.998 1.386 1.00 . A A . 23 ASP C 1 1 13 6206 1 1 24 ASP CA C -0.328 3.516 2.504 1.00 . A A . 23 ASP CA 1 1 13 6207 1 1 24 ASP CB C -1.021 2.345 3.207 1.00 . A A . 23 ASP CB 1 1 13 6208 1 1 24 ASP CG C -0.053 1.507 4.028 1.00 . A A . 23 ASP CG 1 1 13 6209 1 1 24 ASP H H -2.246 4.215 1.905 1.00 . A A . 23 ASP H 1 1 13 6210 1 1 24 ASP HA H 0.286 4.040 3.220 1.00 . A A . 23 ASP HA 1 1 13 6211 1 1 24 ASP HB2 H -1.790 2.724 3.864 1.00 . A A . 23 ASP HB2 1 1 13 6212 1 1 24 ASP HB3 H -1.473 1.706 2.463 1.00 . A A . 23 ASP HB3 1 1 13 6213 1 1 24 ASP N N -1.300 4.473 1.975 1.00 . A A . 23 ASP N 1 1 13 6214 1 1 24 ASP O O 1.755 2.743 1.594 1.00 . A A . 23 ASP O 1 1 13 6215 1 1 24 ASP OD1 O 0.398 1.980 5.098 1.00 . A A . 23 ASP OD1 1 1 13 6216 1 1 24 ASP OD2 O 0.244 0.362 3.623 1.00 . A A . 23 ASP OD2 1 1 13 6217 1 1 25 LEU C C 1.762 3.559 -1.364 1.00 . A A . 24 LEU C 1 1 13 6218 1 1 25 LEU CA C 0.779 2.467 -0.981 1.00 . A A . 24 LEU CA 1 1 13 6219 1 1 25 LEU CB C -0.130 2.130 -2.168 1.00 . A A . 24 LEU CB 1 1 13 6220 1 1 25 LEU CD1 C 0.488 -0.236 -2.737 1.00 . A A . 24 LEU CD1 1 1 13 6221 1 1 25 LEU CD2 C -1.106 0.209 -0.877 1.00 . A A . 24 LEU CD2 1 1 13 6222 1 1 25 LEU CG C -0.621 0.679 -2.235 1.00 . A A . 24 LEU CG 1 1 13 6223 1 1 25 LEU H H -0.967 3.002 0.101 1.00 . A A . 24 LEU H 1 1 13 6224 1 1 25 LEU HA H 1.338 1.585 -0.715 1.00 . A A . 24 LEU HA 1 1 13 6225 1 1 25 LEU HB2 H -0.996 2.778 -2.123 1.00 . A A . 24 LEU HB2 1 1 13 6226 1 1 25 LEU HB3 H 0.412 2.345 -3.078 1.00 . A A . 24 LEU HB3 1 1 13 6227 1 1 25 LEU HD11 H 0.804 0.086 -3.718 1.00 . A A . 24 LEU HD11 1 1 13 6228 1 1 25 LEU HD12 H 0.119 -1.251 -2.792 1.00 . A A . 24 LEU HD12 1 1 13 6229 1 1 25 LEU HD13 H 1.324 -0.194 -2.057 1.00 . A A . 24 LEU HD13 1 1 13 6230 1 1 25 LEU HD21 H -0.291 0.249 -0.169 1.00 . A A . 24 LEU HD21 1 1 13 6231 1 1 25 LEU HD22 H -1.467 -0.807 -0.954 1.00 . A A . 24 LEU HD22 1 1 13 6232 1 1 25 LEU HD23 H -1.906 0.851 -0.541 1.00 . A A . 24 LEU HD23 1 1 13 6233 1 1 25 LEU HG H -1.447 0.616 -2.928 1.00 . A A . 24 LEU HG 1 1 13 6234 1 1 25 LEU N N 0.002 2.856 0.192 1.00 . A A . 24 LEU N 1 1 13 6235 1 1 25 LEU O O 2.835 3.276 -1.890 1.00 . A A . 24 LEU O 1 1 13 6236 1 1 26 ALA C C 3.502 5.811 -0.370 1.00 . A A . 25 ALA C 1 1 13 6237 1 1 26 ALA CA C 2.307 5.922 -1.308 1.00 . A A . 25 ALA CA 1 1 13 6238 1 1 26 ALA CB C 1.583 7.243 -1.108 1.00 . A A . 25 ALA CB 1 1 13 6239 1 1 26 ALA H H 0.495 4.979 -0.750 1.00 . A A . 25 ALA H 1 1 13 6240 1 1 26 ALA HA H 2.658 5.875 -2.329 1.00 . A A . 25 ALA HA 1 1 13 6241 1 1 26 ALA HB1 H 1.234 7.311 -0.088 1.00 . A A . 25 ALA HB1 1 1 13 6242 1 1 26 ALA HB2 H 0.740 7.295 -1.780 1.00 . A A . 25 ALA HB2 1 1 13 6243 1 1 26 ALA HB3 H 2.260 8.059 -1.313 1.00 . A A . 25 ALA HB3 1 1 13 6244 1 1 26 ALA N N 1.399 4.805 -1.092 1.00 . A A . 25 ALA N 1 1 13 6245 1 1 26 ALA O O 4.615 6.212 -0.707 1.00 . A A . 25 ALA O 1 1 13 6246 1 1 27 LYS C C 5.182 3.822 1.235 1.00 . A A . 26 LYS C 1 1 13 6247 1 1 27 LYS CA C 4.330 4.972 1.752 1.00 . A A . 26 LYS CA 1 1 13 6248 1 1 27 LYS CB C 3.760 4.608 3.126 1.00 . A A . 26 LYS CB 1 1 13 6249 1 1 27 LYS CD C 2.195 5.255 4.977 1.00 . A A . 26 LYS CD 1 1 13 6250 1 1 27 LYS CE C 2.944 4.325 5.920 1.00 . A A . 26 LYS CE 1 1 13 6251 1 1 27 LYS CG C 3.087 5.761 3.850 1.00 . A A . 26 LYS CG 1 1 13 6252 1 1 27 LYS H H 2.340 5.029 1.054 1.00 . A A . 26 LYS H 1 1 13 6253 1 1 27 LYS HA H 4.941 5.854 1.841 1.00 . A A . 26 LYS HA 1 1 13 6254 1 1 27 LYS HB2 H 3.034 3.819 3.004 1.00 . A A . 26 LYS HB2 1 1 13 6255 1 1 27 LYS HB3 H 4.566 4.245 3.744 1.00 . A A . 26 LYS HB3 1 1 13 6256 1 1 27 LYS HD2 H 1.831 6.101 5.541 1.00 . A A . 26 LYS HD2 1 1 13 6257 1 1 27 LYS HD3 H 1.362 4.722 4.553 1.00 . A A . 26 LYS HD3 1 1 13 6258 1 1 27 LYS HE2 H 3.533 3.636 5.336 1.00 . A A . 26 LYS HE2 1 1 13 6259 1 1 27 LYS HE3 H 3.596 4.917 6.545 1.00 . A A . 26 LYS HE3 1 1 13 6260 1 1 27 LYS HG2 H 3.845 6.409 4.265 1.00 . A A . 26 LYS HG2 1 1 13 6261 1 1 27 LYS HG3 H 2.483 6.313 3.146 1.00 . A A . 26 LYS HG3 1 1 13 6262 1 1 27 LYS HZ1 H 2.553 2.909 7.403 1.00 . A A . 26 LYS HZ1 1 1 13 6263 1 1 27 LYS HZ2 H 1.365 2.984 6.195 1.00 . A A . 26 LYS HZ2 1 1 13 6264 1 1 27 LYS HZ3 H 1.452 4.195 7.376 1.00 . A A . 26 LYS HZ3 1 1 13 6265 1 1 27 LYS N N 3.261 5.256 0.812 1.00 . A A . 26 LYS N 1 1 13 6266 1 1 27 LYS NZ N 2.015 3.550 6.785 1.00 . A A . 26 LYS NZ 1 1 13 6267 1 1 27 LYS O O 6.405 3.931 1.152 1.00 . A A . 26 LYS O 1 1 13 6268 1 1 28 4PH C33 C 6.288 -4.092 -2.551 1.00 . A A . 27 4PH C33 1 1 13 6269 1 1 28 4PH H33 H 6.543 -4.867 -1.845 1.00 . A A . 27 4PH H33 1 1 13 6270 1 1 28 4PH H33A H 5.567 -4.470 -3.261 1.00 . A A . 27 4PH H33A 1 1 13 6271 1 1 28 4PH H33B H 7.182 -3.781 -3.071 1.00 . A A . 27 4PH H33B 1 1 13 6272 1 1 29 GLN C C 7.283 3.515 -2.989 1.00 . A A . 28 GLN C 1 1 13 6273 1 1 29 GLN CA C 6.071 2.602 -3.140 1.00 . A A . 28 GLN CA 1 1 13 6274 1 1 29 GLN CB C 5.115 3.168 -4.192 1.00 . A A . 28 GLN CB 1 1 13 6275 1 1 29 GLN CD C 3.259 2.696 -5.835 1.00 . A A . 28 GLN CD 1 1 13 6276 1 1 29 GLN CG C 4.082 2.161 -4.683 1.00 . A A . 28 GLN CG 1 1 13 6277 1 1 29 GLN H H 4.468 2.714 -1.748 1.00 . A A . 28 GLN H 1 1 13 6278 1 1 29 GLN HA H 6.420 1.638 -3.476 1.00 . A A . 28 GLN HA 1 1 13 6279 1 1 29 GLN HB2 H 4.588 4.013 -3.770 1.00 . A A . 28 GLN HB2 1 1 13 6280 1 1 29 GLN HB3 H 5.693 3.505 -5.042 1.00 . A A . 28 GLN HB3 1 1 13 6281 1 1 29 GLN HE21 H 1.909 3.424 -4.575 1.00 . A A . 28 GLN HE21 1 1 13 6282 1 1 29 GLN HE22 H 1.586 3.681 -6.250 1.00 . A A . 28 GLN HE22 1 1 13 6283 1 1 29 GLN HG2 H 4.593 1.268 -5.013 1.00 . A A . 28 GLN HG2 1 1 13 6284 1 1 29 GLN HG3 H 3.418 1.913 -3.868 1.00 . A A . 28 GLN HG3 1 1 13 6285 1 1 29 GLN N N 5.392 2.393 -1.863 1.00 . A A . 28 GLN N 1 1 13 6286 1 1 29 GLN NE2 N 2.142 3.331 -5.521 1.00 . A A . 28 GLN NE2 1 1 13 6287 1 1 29 GLN O O 8.352 3.227 -3.530 1.00 . A A . 28 GLN O 1 1 13 6288 1 1 29 GLN OE1 O 3.630 2.542 -6.998 1.00 . A A . 28 GLN OE1 1 1 13 6289 1 1 30 LYS C C 9.355 4.886 -1.273 1.00 . A A . 29 LYS C 1 1 13 6290 1 1 30 LYS CA C 8.210 5.548 -2.033 1.00 . A A . 29 LYS CA 1 1 13 6291 1 1 30 LYS CB C 7.711 6.773 -1.261 1.00 . A A . 29 LYS CB 1 1 13 6292 1 1 30 LYS CD C 8.272 8.945 -0.124 1.00 . A A . 29 LYS CD 1 1 13 6293 1 1 30 LYS CE C 9.379 9.920 0.243 1.00 . A A . 29 LYS CE 1 1 13 6294 1 1 30 LYS CG C 8.801 7.788 -0.955 1.00 . A A . 29 LYS CG 1 1 13 6295 1 1 30 LYS H H 6.249 4.775 -1.834 1.00 . A A . 29 LYS H 1 1 13 6296 1 1 30 LYS HA H 8.571 5.864 -3.000 1.00 . A A . 29 LYS HA 1 1 13 6297 1 1 30 LYS HB2 H 6.946 7.264 -1.842 1.00 . A A . 29 LYS HB2 1 1 13 6298 1 1 30 LYS HB3 H 7.283 6.445 -0.325 1.00 . A A . 29 LYS HB3 1 1 13 6299 1 1 30 LYS HD2 H 7.521 9.470 -0.696 1.00 . A A . 29 LYS HD2 1 1 13 6300 1 1 30 LYS HD3 H 7.831 8.555 0.781 1.00 . A A . 29 LYS HD3 1 1 13 6301 1 1 30 LYS HE2 H 9.803 10.323 -0.665 1.00 . A A . 29 LYS HE2 1 1 13 6302 1 1 30 LYS HE3 H 8.954 10.723 0.828 1.00 . A A . 29 LYS HE3 1 1 13 6303 1 1 30 LYS HG2 H 9.592 7.298 -0.407 1.00 . A A . 29 LYS HG2 1 1 13 6304 1 1 30 LYS HG3 H 9.191 8.173 -1.885 1.00 . A A . 29 LYS HG3 1 1 13 6305 1 1 30 LYS HZ1 H 11.181 9.961 1.298 1.00 . A A . 29 LYS HZ1 1 1 13 6306 1 1 30 LYS HZ2 H 10.912 8.517 0.468 1.00 . A A . 29 LYS HZ2 1 1 13 6307 1 1 30 LYS HZ3 H 10.070 8.838 1.895 1.00 . A A . 29 LYS HZ3 1 1 13 6308 1 1 30 LYS N N 7.120 4.603 -2.248 1.00 . A A . 29 LYS N 1 1 13 6309 1 1 30 LYS NZ N 10.459 9.265 1.031 1.00 . A A . 29 LYS NZ 1 1 13 6310 1 1 30 LYS O O 10.527 5.053 -1.618 1.00 . A A . 29 LYS O 1 1 13 6311 1 1 31 ASP C C 10.644 2.293 -0.128 1.00 . A A . 30 ASP C 1 1 13 6312 1 1 31 ASP CA C 10.004 3.474 0.593 1.00 . A A . 30 ASP CA 1 1 13 6313 1 1 31 ASP CB C 9.383 3.014 1.915 1.00 . A A . 30 ASP CB 1 1 13 6314 1 1 31 ASP CG C 10.392 2.344 2.819 1.00 . A A . 30 ASP CG 1 1 13 6315 1 1 31 ASP H H 8.050 3.988 -0.055 1.00 . A A . 30 ASP H 1 1 13 6316 1 1 31 ASP HA H 10.773 4.204 0.804 1.00 . A A . 30 ASP HA 1 1 13 6317 1 1 31 ASP HB2 H 8.977 3.869 2.435 1.00 . A A . 30 ASP HB2 1 1 13 6318 1 1 31 ASP HB3 H 8.589 2.310 1.713 1.00 . A A . 30 ASP HB3 1 1 13 6319 1 1 31 ASP N N 9.005 4.121 -0.249 1.00 . A A . 30 ASP N 1 1 13 6320 1 1 31 ASP O O 11.851 2.082 -0.029 1.00 . A A . 30 ASP O 1 1 13 6321 1 1 31 ASP OD1 O 11.216 3.060 3.428 1.00 . A A . 30 ASP OD1 1 1 13 6322 1 1 31 ASP OD2 O 10.352 1.104 2.944 1.00 . A A . 30 ASP OD2 1 1 13 6323 1 1 32 LEU C C 11.364 0.846 -2.639 1.00 . A A . 31 LEU C 1 1 13 6324 1 1 32 LEU CA C 10.324 0.392 -1.622 1.00 . A A . 31 LEU CA 1 1 13 6325 1 1 32 LEU CB C 9.150 -0.303 -2.334 1.00 . A A . 31 LEU CB 1 1 13 6326 1 1 32 LEU CD1 C 10.393 -1.975 -3.770 1.00 . A A . 31 LEU CD1 1 1 13 6327 1 1 32 LEU CD2 C 9.698 -2.584 -1.454 1.00 . A A . 31 LEU CD2 1 1 13 6328 1 1 32 LEU CG C 9.340 -1.784 -2.692 1.00 . A A . 31 LEU CG 1 1 13 6329 1 1 32 LEU H H 8.878 1.758 -0.900 1.00 . A A . 31 LEU H 1 1 13 6330 1 1 32 LEU HA H 10.781 -0.294 -0.927 1.00 . A A . 31 LEU HA 1 1 13 6331 1 1 32 LEU HB2 H 8.280 -0.224 -1.697 1.00 . A A . 31 LEU HB2 1 1 13 6332 1 1 32 LEU HB3 H 8.952 0.236 -3.246 1.00 . A A . 31 LEU HB3 1 1 13 6333 1 1 32 LEU HD11 H 10.507 -3.028 -3.979 1.00 . A A . 31 LEU HD11 1 1 13 6334 1 1 32 LEU HD12 H 11.334 -1.571 -3.427 1.00 . A A . 31 LEU HD12 1 1 13 6335 1 1 32 LEU HD13 H 10.086 -1.460 -4.668 1.00 . A A . 31 LEU HD13 1 1 13 6336 1 1 32 LEU HD21 H 10.682 -2.299 -1.114 1.00 . A A . 31 LEU HD21 1 1 13 6337 1 1 32 LEU HD22 H 9.688 -3.637 -1.691 1.00 . A A . 31 LEU HD22 1 1 13 6338 1 1 32 LEU HD23 H 8.975 -2.381 -0.677 1.00 . A A . 31 LEU HD23 1 1 13 6339 1 1 32 LEU HG H 8.407 -2.171 -3.074 1.00 . A A . 31 LEU HG 1 1 13 6340 1 1 32 LEU N N 9.838 1.541 -0.867 1.00 . A A . 31 LEU N 1 1 13 6341 1 1 32 LEU O O 12.401 0.208 -2.809 1.00 . A A . 31 LEU O 1 1 13 6342 1 1 33 ALA C C 13.316 2.910 -3.659 1.00 . A A . 32 ALA C 1 1 13 6343 1 1 33 ALA CA C 11.983 2.518 -4.289 1.00 . A A . 32 ALA CA 1 1 13 6344 1 1 33 ALA CB C 11.337 3.717 -4.961 1.00 . A A . 32 ALA CB 1 1 13 6345 1 1 33 ALA H H 10.233 2.421 -3.113 1.00 . A A . 32 ALA H 1 1 13 6346 1 1 33 ALA HA H 12.157 1.764 -5.041 1.00 . A A . 32 ALA HA 1 1 13 6347 1 1 33 ALA HB1 H 11.161 4.488 -4.226 1.00 . A A . 32 ALA HB1 1 1 13 6348 1 1 33 ALA HB2 H 10.397 3.417 -5.401 1.00 . A A . 32 ALA HB2 1 1 13 6349 1 1 33 ALA HB3 H 11.992 4.095 -5.732 1.00 . A A . 32 ALA HB3 1 1 13 6350 1 1 33 ALA N N 11.079 1.961 -3.296 1.00 . A A . 32 ALA N 1 1 13 6351 1 1 33 ALA O O 14.365 2.820 -4.294 1.00 . A A . 32 ALA O 1 1 13 6352 1 1 34 ASP C C 15.197 2.463 -1.169 1.00 . A A . 33 ASP C 1 1 13 6353 1 1 34 ASP CA C 14.473 3.709 -1.672 1.00 . A A . 33 ASP CA 1 1 13 6354 1 1 34 ASP CB C 14.130 4.624 -0.493 1.00 . A A . 33 ASP CB 1 1 13 6355 1 1 34 ASP CG C 15.362 5.075 0.266 1.00 . A A . 33 ASP CG 1 1 13 6356 1 1 34 ASP H H 12.393 3.416 -1.965 1.00 . A A . 33 ASP H 1 1 13 6357 1 1 34 ASP HA H 15.122 4.237 -2.351 1.00 . A A . 33 ASP HA 1 1 13 6358 1 1 34 ASP HB2 H 13.618 5.499 -0.861 1.00 . A A . 33 ASP HB2 1 1 13 6359 1 1 34 ASP HB3 H 13.483 4.096 0.192 1.00 . A A . 33 ASP HB3 1 1 13 6360 1 1 34 ASP N N 13.265 3.340 -2.406 1.00 . A A . 33 ASP N 1 1 13 6361 1 1 34 ASP O O 16.429 2.405 -1.168 1.00 . A A . 33 ASP O 1 1 13 6362 1 1 34 ASP OD1 O 15.932 6.129 -0.088 1.00 . A A . 33 ASP OD1 1 1 13 6363 1 1 34 ASP OD2 O 15.767 4.382 1.223 1.00 . A A . 33 ASP OD2 1 1 13 6364 1 1 35 4PH C33 C 15.636 -5.533 2.586 1.00 . A A . 34 4PH C33 1 1 13 6365 1 1 35 4PH H33 H 15.567 -5.476 3.661 1.00 . A A . 34 4PH H33 1 1 13 6366 1 1 35 4PH H33A H 15.027 -6.348 2.225 1.00 . A A . 34 4PH H33A 1 1 13 6367 1 1 35 4PH H33B H 16.668 -5.696 2.305 1.00 . A A . 34 4PH H33B 1 1 13 6368 1 1 36 NH2 HN1 H 14.102 -0.329 -2.559 1.00 . A A . 35 NH2 HN1 1 1 13 6369 1 1 36 NH2 HN2 H 15.454 -1.160 -3.249 1.00 . A A . 35 NH2 HN2 1 1 13 6370 1 1 36 NH2 N N 15.016 -0.688 -2.510 1.00 . A A . 35 NH2 N 1 1 14 6371 1 1 1 ACE C C 13.097 -4.927 5.044 1.00 . A A . 0 ACE C 1 1 14 6372 1 1 1 ACE CH3 C 14.322 -4.291 4.448 1.00 . A A . 0 ACE CH3 1 1 14 6373 1 1 1 ACE H1 H 14.063 -3.884 3.476 1.00 . A A . 0 ACE H1 1 1 14 6374 1 1 1 ACE H2 H 15.086 -5.034 4.332 1.00 . A A . 0 ACE H2 1 1 14 6375 1 1 1 ACE H3 H 14.670 -3.514 5.119 1.00 . A A . 0 ACE H3 1 1 14 6376 1 1 1 ACE O O 12.468 -4.367 5.943 1.00 . A A . 0 ACE O 1 1 14 6377 1 1 2 PRO C C 10.827 -5.494 3.064 1.00 . A A . 1 PRO C 1 1 14 6378 1 1 2 PRO CA C 12.153 -6.243 3.193 1.00 . A A . 1 PRO CA 1 1 14 6379 1 1 2 PRO CB C 11.940 -7.755 3.039 1.00 . A A . 1 PRO CB 1 1 14 6380 1 1 2 PRO CD C 12.830 -7.399 5.227 1.00 . A A . 1 PRO CD 1 1 14 6381 1 1 2 PRO CG C 11.924 -8.293 4.427 1.00 . A A . 1 PRO CG 1 1 14 6382 1 1 2 PRO HA H 12.843 -5.890 2.439 1.00 . A A . 1 PRO HA 1 1 14 6383 1 1 2 PRO HB2 H 10.996 -7.944 2.540 1.00 . A A . 1 PRO HB2 1 1 14 6384 1 1 2 PRO HB3 H 12.755 -8.192 2.482 1.00 . A A . 1 PRO HB3 1 1 14 6385 1 1 2 PRO HD2 H 12.481 -7.319 6.246 1.00 . A A . 1 PRO HD2 1 1 14 6386 1 1 2 PRO HD3 H 13.849 -7.763 5.201 1.00 . A A . 1 PRO HD3 1 1 14 6387 1 1 2 PRO HG2 H 10.913 -8.261 4.818 1.00 . A A . 1 PRO HG2 1 1 14 6388 1 1 2 PRO HG3 H 12.300 -9.305 4.433 1.00 . A A . 1 PRO HG3 1 1 14 6389 1 1 2 PRO N N 12.721 -6.107 4.536 1.00 . A A . 1 PRO N 1 1 14 6390 1 1 2 PRO O O 9.909 -5.698 3.863 1.00 . A A . 1 PRO O 1 1 14 6391 1 1 3 PRO C C 8.310 -4.632 1.435 1.00 . A A . 2 PRO C 1 1 14 6392 1 1 3 PRO CA C 9.512 -3.795 1.863 1.00 . A A . 2 PRO CA 1 1 14 6393 1 1 3 PRO CB C 9.919 -2.825 0.748 1.00 . A A . 2 PRO CB 1 1 14 6394 1 1 3 PRO CD C 11.731 -4.367 1.025 1.00 . A A . 2 PRO CD 1 1 14 6395 1 1 3 PRO CG C 11.015 -3.512 0.014 1.00 . A A . 2 PRO CG 1 1 14 6396 1 1 3 PRO HA H 9.264 -3.243 2.759 1.00 . A A . 2 PRO HA 1 1 14 6397 1 1 3 PRO HB2 H 9.073 -2.635 0.095 1.00 . A A . 2 PRO HB2 1 1 14 6398 1 1 3 PRO HB3 H 10.281 -1.900 1.173 1.00 . A A . 2 PRO HB3 1 1 14 6399 1 1 3 PRO HD2 H 12.052 -5.294 0.573 1.00 . A A . 2 PRO HD2 1 1 14 6400 1 1 3 PRO HD3 H 12.577 -3.837 1.439 1.00 . A A . 2 PRO HD3 1 1 14 6401 1 1 3 PRO HG2 H 10.596 -4.126 -0.773 1.00 . A A . 2 PRO HG2 1 1 14 6402 1 1 3 PRO HG3 H 11.692 -2.783 -0.400 1.00 . A A . 2 PRO HG3 1 1 14 6403 1 1 3 PRO N N 10.710 -4.616 2.059 1.00 . A A . 2 PRO N 1 1 14 6404 1 1 3 PRO O O 8.267 -5.153 0.320 1.00 . A A . 2 PRO O 1 1 14 6405 1 1 4 THR C C 5.038 -4.719 1.500 1.00 . A A . 3 THR C 1 1 14 6406 1 1 4 THR CA C 6.174 -5.581 2.032 1.00 . A A . 3 THR CA 1 1 14 6407 1 1 4 THR CB C 5.710 -6.366 3.270 1.00 . A A . 3 THR CB 1 1 14 6408 1 1 4 THR CG2 C 6.540 -7.627 3.452 1.00 . A A . 3 THR CG2 1 1 14 6409 1 1 4 THR H H 7.411 -4.325 3.192 1.00 . A A . 3 THR H 1 1 14 6410 1 1 4 THR HA H 6.450 -6.292 1.269 1.00 . A A . 3 THR HA 1 1 14 6411 1 1 4 THR HB H 4.679 -6.654 3.126 1.00 . A A . 3 THR HB 1 1 14 6412 1 1 4 THR HG1 H 6.660 -5.682 4.862 1.00 . A A . 3 THR HG1 1 1 14 6413 1 1 4 THR HG21 H 7.580 -7.363 3.557 1.00 . A A . 3 THR HG21 1 1 14 6414 1 1 4 THR HG22 H 6.416 -8.265 2.588 1.00 . A A . 3 THR HG22 1 1 14 6415 1 1 4 THR HG23 H 6.209 -8.150 4.336 1.00 . A A . 3 THR HG23 1 1 14 6416 1 1 4 THR N N 7.343 -4.778 2.324 1.00 . A A . 3 THR N 1 1 14 6417 1 1 4 THR O O 4.704 -3.680 2.077 1.00 . A A . 3 THR O 1 1 14 6418 1 1 4 THR OG1 O 5.803 -5.546 4.443 1.00 . A A . 3 THR OG1 1 1 14 6419 1 1 5 LYS C C 2.082 -4.659 0.587 1.00 . A A . 4 LYS C 1 1 14 6420 1 1 5 LYS CA C 3.354 -4.431 -0.226 1.00 . A A . 4 LYS CA 1 1 14 6421 1 1 5 LYS CB C 3.146 -4.880 -1.684 1.00 . A A . 4 LYS CB 1 1 14 6422 1 1 5 LYS CD C 2.580 -6.736 -3.279 1.00 . A A . 4 LYS CD 1 1 14 6423 1 1 5 LYS CE C 2.177 -8.195 -3.410 1.00 . A A . 4 LYS CE 1 1 14 6424 1 1 5 LYS CG C 2.662 -6.311 -1.822 1.00 . A A . 4 LYS CG 1 1 14 6425 1 1 5 LYS H H 4.814 -5.957 -0.047 1.00 . A A . 4 LYS H 1 1 14 6426 1 1 5 LYS HA H 3.591 -3.378 -0.210 1.00 . A A . 4 LYS HA 1 1 14 6427 1 1 5 LYS HB2 H 2.418 -4.233 -2.149 1.00 . A A . 4 LYS HB2 1 1 14 6428 1 1 5 LYS HB3 H 4.084 -4.791 -2.215 1.00 . A A . 4 LYS HB3 1 1 14 6429 1 1 5 LYS HD2 H 1.848 -6.123 -3.784 1.00 . A A . 4 LYS HD2 1 1 14 6430 1 1 5 LYS HD3 H 3.548 -6.596 -3.738 1.00 . A A . 4 LYS HD3 1 1 14 6431 1 1 5 LYS HE2 H 2.894 -8.800 -2.877 1.00 . A A . 4 LYS HE2 1 1 14 6432 1 1 5 LYS HE3 H 1.198 -8.324 -2.973 1.00 . A A . 4 LYS HE3 1 1 14 6433 1 1 5 LYS HG2 H 3.346 -6.963 -1.306 1.00 . A A . 4 LYS HG2 1 1 14 6434 1 1 5 LYS HG3 H 1.679 -6.388 -1.377 1.00 . A A . 4 LYS HG3 1 1 14 6435 1 1 5 LYS HZ1 H 1.427 -8.084 -5.352 1.00 . A A . 4 LYS HZ1 1 1 14 6436 1 1 5 LYS HZ2 H 1.891 -9.640 -4.885 1.00 . A A . 4 LYS HZ2 1 1 14 6437 1 1 5 LYS HZ3 H 3.065 -8.492 -5.275 1.00 . A A . 4 LYS HZ3 1 1 14 6438 1 1 5 LYS N N 4.470 -5.142 0.381 1.00 . A A . 4 LYS N 1 1 14 6439 1 1 5 LYS NZ N 2.137 -8.633 -4.828 1.00 . A A . 4 LYS NZ 1 1 14 6440 1 1 5 LYS O O 1.913 -5.717 1.198 1.00 . A A . 4 LYS O 1 1 14 6441 1 1 6 PRO C C -1.024 -4.784 0.674 1.00 . A A . 5 PRO C 1 1 14 6442 1 1 6 PRO CA C -0.089 -3.779 1.341 1.00 . A A . 5 PRO CA 1 1 14 6443 1 1 6 PRO CB C -0.668 -2.365 1.261 1.00 . A A . 5 PRO CB 1 1 14 6444 1 1 6 PRO CD C 1.344 -2.340 -0.010 1.00 . A A . 5 PRO CD 1 1 14 6445 1 1 6 PRO CG C -0.039 -1.761 0.059 1.00 . A A . 5 PRO CG 1 1 14 6446 1 1 6 PRO HA H 0.056 -4.057 2.373 1.00 . A A . 5 PRO HA 1 1 14 6447 1 1 6 PRO HB2 H -1.743 -2.412 1.160 1.00 . A A . 5 PRO HB2 1 1 14 6448 1 1 6 PRO HB3 H -0.400 -1.804 2.140 1.00 . A A . 5 PRO HB3 1 1 14 6449 1 1 6 PRO HD2 H 1.657 -2.442 -1.039 1.00 . A A . 5 PRO HD2 1 1 14 6450 1 1 6 PRO HD3 H 2.041 -1.725 0.544 1.00 . A A . 5 PRO HD3 1 1 14 6451 1 1 6 PRO HG2 H -0.606 -2.027 -0.825 1.00 . A A . 5 PRO HG2 1 1 14 6452 1 1 6 PRO HG3 H 0.013 -0.690 0.168 1.00 . A A . 5 PRO HG3 1 1 14 6453 1 1 6 PRO N N 1.186 -3.662 0.628 1.00 . A A . 5 PRO N 1 1 14 6454 1 1 6 PRO O O -0.844 -5.139 -0.494 1.00 . A A . 5 PRO O 1 1 14 6455 1 1 7 THR C C -3.886 -5.616 -0.126 1.00 . A A . 6 THR C 1 1 14 6456 1 1 7 THR CA C -2.950 -6.235 0.911 1.00 . A A . 6 THR CA 1 1 14 6457 1 1 7 THR CB C -3.775 -6.888 2.047 1.00 . A A . 6 THR CB 1 1 14 6458 1 1 7 THR CG2 C -4.607 -5.856 2.798 1.00 . A A . 6 THR CG2 1 1 14 6459 1 1 7 THR H H -2.112 -4.924 2.340 1.00 . A A . 6 THR H 1 1 14 6460 1 1 7 THR HA H -2.373 -7.009 0.429 1.00 . A A . 6 THR HA 1 1 14 6461 1 1 7 THR HB H -3.089 -7.345 2.745 1.00 . A A . 6 THR HB 1 1 14 6462 1 1 7 THR HG1 H -4.145 -8.437 0.874 1.00 . A A . 6 THR HG1 1 1 14 6463 1 1 7 THR HG21 H -5.282 -5.367 2.110 1.00 . A A . 6 THR HG21 1 1 14 6464 1 1 7 THR HG22 H -3.952 -5.121 3.242 1.00 . A A . 6 THR HG22 1 1 14 6465 1 1 7 THR HG23 H -5.175 -6.347 3.574 1.00 . A A . 6 THR HG23 1 1 14 6466 1 1 7 THR N N -2.013 -5.250 1.422 1.00 . A A . 6 THR N 1 1 14 6467 1 1 7 THR O O -4.380 -4.502 0.047 1.00 . A A . 6 THR O 1 1 14 6468 1 1 7 THR OG1 O -4.638 -7.907 1.515 1.00 . A A . 6 THR OG1 1 1 14 6469 1 1 8 LYS C C -6.445 -5.937 -1.767 1.00 . A A . 7 LYS C 1 1 14 6470 1 1 8 LYS CA C -5.001 -5.922 -2.271 1.00 . A A . 7 LYS CA 1 1 14 6471 1 1 8 LYS CB C -4.872 -6.855 -3.478 1.00 . A A . 7 LYS CB 1 1 14 6472 1 1 8 LYS CD C -3.081 -5.558 -4.673 1.00 . A A . 7 LYS CD 1 1 14 6473 1 1 8 LYS CE C -1.792 -5.650 -5.476 1.00 . A A . 7 LYS CE 1 1 14 6474 1 1 8 LYS CG C -3.480 -6.901 -4.090 1.00 . A A . 7 LYS CG 1 1 14 6475 1 1 8 LYS H H -3.614 -7.194 -1.311 1.00 . A A . 7 LYS H 1 1 14 6476 1 1 8 LYS HA H -4.735 -4.919 -2.567 1.00 . A A . 7 LYS HA 1 1 14 6477 1 1 8 LYS HB2 H -5.137 -7.856 -3.172 1.00 . A A . 7 LYS HB2 1 1 14 6478 1 1 8 LYS HB3 H -5.564 -6.531 -4.241 1.00 . A A . 7 LYS HB3 1 1 14 6479 1 1 8 LYS HD2 H -3.872 -5.209 -5.321 1.00 . A A . 7 LYS HD2 1 1 14 6480 1 1 8 LYS HD3 H -2.938 -4.856 -3.864 1.00 . A A . 7 LYS HD3 1 1 14 6481 1 1 8 LYS HE2 H -1.513 -4.659 -5.799 1.00 . A A . 7 LYS HE2 1 1 14 6482 1 1 8 LYS HE3 H -1.017 -6.053 -4.840 1.00 . A A . 7 LYS HE3 1 1 14 6483 1 1 8 LYS HG2 H -2.769 -7.172 -3.323 1.00 . A A . 7 LYS HG2 1 1 14 6484 1 1 8 LYS HG3 H -3.466 -7.643 -4.872 1.00 . A A . 7 LYS HG3 1 1 14 6485 1 1 8 LYS HZ1 H -2.749 -6.209 -7.246 1.00 . A A . 7 LYS HZ1 1 1 14 6486 1 1 8 LYS HZ2 H -2.096 -7.509 -6.383 1.00 . A A . 7 LYS HZ2 1 1 14 6487 1 1 8 LYS HZ3 H -1.079 -6.477 -7.254 1.00 . A A . 7 LYS HZ3 1 1 14 6488 1 1 8 LYS N N -4.093 -6.344 -1.214 1.00 . A A . 7 LYS N 1 1 14 6489 1 1 8 LYS NZ N -1.941 -6.522 -6.671 1.00 . A A . 7 LYS NZ 1 1 14 6490 1 1 8 LYS O O -6.968 -6.996 -1.411 1.00 . A A . 7 LYS O 1 1 14 6491 1 1 9 PRO C C -9.461 -5.346 -2.234 1.00 . A A . 8 PRO C 1 1 14 6492 1 1 9 PRO CA C -8.497 -4.670 -1.270 1.00 . A A . 8 PRO CA 1 1 14 6493 1 1 9 PRO CB C -8.767 -3.161 -1.221 1.00 . A A . 8 PRO CB 1 1 14 6494 1 1 9 PRO CD C -6.552 -3.450 -2.055 1.00 . A A . 8 PRO CD 1 1 14 6495 1 1 9 PRO CG C -7.428 -2.512 -1.274 1.00 . A A . 8 PRO CG 1 1 14 6496 1 1 9 PRO HA H -8.626 -5.093 -0.286 1.00 . A A . 8 PRO HA 1 1 14 6497 1 1 9 PRO HB2 H -9.369 -2.868 -2.074 1.00 . A A . 8 PRO HB2 1 1 14 6498 1 1 9 PRO HB3 H -9.271 -2.904 -0.301 1.00 . A A . 8 PRO HB3 1 1 14 6499 1 1 9 PRO HD2 H -6.636 -3.257 -3.116 1.00 . A A . 8 PRO HD2 1 1 14 6500 1 1 9 PRO HD3 H -5.522 -3.365 -1.732 1.00 . A A . 8 PRO HD3 1 1 14 6501 1 1 9 PRO HG2 H -7.505 -1.555 -1.775 1.00 . A A . 8 PRO HG2 1 1 14 6502 1 1 9 PRO HG3 H -7.035 -2.384 -0.275 1.00 . A A . 8 PRO HG3 1 1 14 6503 1 1 9 PRO N N -7.104 -4.769 -1.713 1.00 . A A . 8 PRO N 1 1 14 6504 1 1 9 PRO O O -9.580 -4.948 -3.393 1.00 . A A . 8 PRO O 1 1 14 6505 1 1 10 GLY C C -12.525 -6.650 -2.164 1.00 . A A . 9 GLY C 1 1 14 6506 1 1 10 GLY CA C -11.123 -7.064 -2.554 1.00 . A A . 9 GLY CA 1 1 14 6507 1 1 10 GLY H H -9.954 -6.685 -0.835 1.00 . A A . 9 GLY H 1 1 14 6508 1 1 10 GLY HA2 H -10.962 -6.823 -3.594 1.00 . A A . 9 GLY HA2 1 1 14 6509 1 1 10 GLY HA3 H -11.020 -8.130 -2.419 1.00 . A A . 9 GLY HA3 1 1 14 6510 1 1 10 GLY N N -10.129 -6.384 -1.755 1.00 . A A . 9 GLY N 1 1 14 6511 1 1 10 GLY O O -13.201 -5.935 -2.900 1.00 . A A . 9 GLY O 1 1 14 6512 1 1 11 ASP C C -14.163 -5.490 0.410 1.00 . A A . 10 ASP C 1 1 14 6513 1 1 11 ASP CA C -14.264 -6.736 -0.461 1.00 . A A . 10 ASP CA 1 1 14 6514 1 1 11 ASP CB C -14.849 -7.902 0.342 1.00 . A A . 10 ASP CB 1 1 14 6515 1 1 11 ASP CG C -16.188 -7.571 0.969 1.00 . A A . 10 ASP CG 1 1 14 6516 1 1 11 ASP H H -12.353 -7.657 -0.452 1.00 . A A . 10 ASP H 1 1 14 6517 1 1 11 ASP HA H -14.911 -6.526 -1.300 1.00 . A A . 10 ASP HA 1 1 14 6518 1 1 11 ASP HB2 H -14.982 -8.750 -0.312 1.00 . A A . 10 ASP HB2 1 1 14 6519 1 1 11 ASP HB3 H -14.159 -8.167 1.131 1.00 . A A . 10 ASP HB3 1 1 14 6520 1 1 11 ASP N N -12.946 -7.085 -0.986 1.00 . A A . 10 ASP N 1 1 14 6521 1 1 11 ASP O O -15.134 -4.760 0.599 1.00 . A A . 10 ASP O 1 1 14 6522 1 1 11 ASP OD1 O -17.163 -7.357 0.220 1.00 . A A . 10 ASP OD1 1 1 14 6523 1 1 11 ASP OD2 O -16.276 -7.538 2.215 1.00 . A A . 10 ASP OD2 1 1 14 6524 1 1 12 ASN C C -12.353 -2.867 0.845 1.00 . A A . 11 ASN C 1 1 14 6525 1 1 12 ASN CA C -12.697 -4.060 1.733 1.00 . A A . 11 ASN CA 1 1 14 6526 1 1 12 ASN CB C -11.562 -4.323 2.735 1.00 . A A . 11 ASN CB 1 1 14 6527 1 1 12 ASN CG C -10.243 -4.699 2.072 1.00 . A A . 11 ASN CG 1 1 14 6528 1 1 12 ASN H H -12.235 -5.880 0.755 1.00 . A A . 11 ASN H 1 1 14 6529 1 1 12 ASN HA H -13.599 -3.831 2.279 1.00 . A A . 11 ASN HA 1 1 14 6530 1 1 12 ASN HB2 H -11.402 -3.431 3.321 1.00 . A A . 11 ASN HB2 1 1 14 6531 1 1 12 ASN HB3 H -11.854 -5.128 3.393 1.00 . A A . 11 ASN HB3 1 1 14 6532 1 1 12 ASN HD21 H -9.223 -3.846 3.549 1.00 . A A . 11 ASN HD21 1 1 14 6533 1 1 12 ASN HD22 H -8.275 -4.571 2.302 1.00 . A A . 11 ASN HD22 1 1 14 6534 1 1 12 ASN N N -12.966 -5.244 0.922 1.00 . A A . 11 ASN N 1 1 14 6535 1 1 12 ASN ND2 N -9.135 -4.334 2.701 1.00 . A A . 11 ASN ND2 1 1 14 6536 1 1 12 ASN O O -11.939 -1.815 1.329 1.00 . A A . 11 ASN O 1 1 14 6537 1 1 12 ASN OD1 O -10.219 -5.316 1.009 1.00 . A A . 11 ASN OD1 1 1 14 6538 1 1 13 ALA C C -13.234 -0.886 -1.496 1.00 . A A . 12 ALA C 1 1 14 6539 1 1 13 ALA CA C -12.208 -2.018 -1.447 1.00 . A A . 12 ALA CA 1 1 14 6540 1 1 13 ALA CB C -12.073 -2.660 -2.817 1.00 . A A . 12 ALA CB 1 1 14 6541 1 1 13 ALA H H -12.957 -3.870 -0.768 1.00 . A A . 12 ALA H 1 1 14 6542 1 1 13 ALA HA H -11.250 -1.606 -1.177 1.00 . A A . 12 ALA HA 1 1 14 6543 1 1 13 ALA HB1 H -11.350 -3.462 -2.768 1.00 . A A . 12 ALA HB1 1 1 14 6544 1 1 13 ALA HB2 H -11.743 -1.919 -3.531 1.00 . A A . 12 ALA HB2 1 1 14 6545 1 1 13 ALA HB3 H -13.030 -3.055 -3.123 1.00 . A A . 12 ALA HB3 1 1 14 6546 1 1 13 ALA N N -12.553 -3.035 -0.459 1.00 . A A . 12 ALA N 1 1 14 6547 1 1 13 ALA O O -13.338 -0.174 -2.496 1.00 . A A . 12 ALA O 1 1 14 6548 1 1 14 THR C C -14.224 1.717 -0.442 1.00 . A A . 13 THR C 1 1 14 6549 1 1 14 THR CA C -14.930 0.372 -0.295 1.00 . A A . 13 THR CA 1 1 14 6550 1 1 14 THR CB C -15.662 0.308 1.053 1.00 . A A . 13 THR CB 1 1 14 6551 1 1 14 THR CG2 C -16.817 -0.678 0.992 1.00 . A A . 13 THR CG2 1 1 14 6552 1 1 14 THR H H -13.883 -1.352 0.326 1.00 . A A . 13 THR H 1 1 14 6553 1 1 14 THR HA H -15.660 0.273 -1.083 1.00 . A A . 13 THR HA 1 1 14 6554 1 1 14 THR HB H -16.056 1.289 1.276 1.00 . A A . 13 THR HB 1 1 14 6555 1 1 14 THR HG1 H -13.854 0.211 1.847 1.00 . A A . 13 THR HG1 1 1 14 6556 1 1 14 THR HG21 H -16.438 -1.660 0.755 1.00 . A A . 13 THR HG21 1 1 14 6557 1 1 14 THR HG22 H -17.514 -0.368 0.228 1.00 . A A . 13 THR HG22 1 1 14 6558 1 1 14 THR HG23 H -17.318 -0.704 1.947 1.00 . A A . 13 THR HG23 1 1 14 6559 1 1 14 THR N N -13.981 -0.721 -0.415 1.00 . A A . 13 THR N 1 1 14 6560 1 1 14 THR O O -13.126 1.893 0.082 1.00 . A A . 13 THR O 1 1 14 6561 1 1 14 THR OG1 O -14.743 -0.079 2.086 1.00 . A A . 13 THR OG1 1 1 14 6562 1 1 15 PRO C C -13.364 4.582 -0.461 1.00 . A A . 14 PRO C 1 1 14 6563 1 1 15 PRO CA C -14.266 3.962 -1.530 1.00 . A A . 14 PRO CA 1 1 14 6564 1 1 15 PRO CB C -15.501 4.828 -1.747 1.00 . A A . 14 PRO CB 1 1 14 6565 1 1 15 PRO CD C -16.230 2.535 -1.694 1.00 . A A . 14 PRO CD 1 1 14 6566 1 1 15 PRO CG C -16.532 3.898 -2.281 1.00 . A A . 14 PRO CG 1 1 14 6567 1 1 15 PRO HA H -13.714 3.890 -2.456 1.00 . A A . 14 PRO HA 1 1 14 6568 1 1 15 PRO HB2 H -15.816 5.260 -0.805 1.00 . A A . 14 PRO HB2 1 1 14 6569 1 1 15 PRO HB3 H -15.295 5.605 -2.464 1.00 . A A . 14 PRO HB3 1 1 14 6570 1 1 15 PRO HD2 H -16.925 2.305 -0.899 1.00 . A A . 14 PRO HD2 1 1 14 6571 1 1 15 PRO HD3 H -16.273 1.775 -2.459 1.00 . A A . 14 PRO HD3 1 1 14 6572 1 1 15 PRO HG2 H -17.516 4.233 -1.974 1.00 . A A . 14 PRO HG2 1 1 14 6573 1 1 15 PRO HG3 H -16.467 3.857 -3.360 1.00 . A A . 14 PRO HG3 1 1 14 6574 1 1 15 PRO N N -14.856 2.664 -1.163 1.00 . A A . 14 PRO N 1 1 14 6575 1 1 15 PRO O O -12.233 4.975 -0.753 1.00 . A A . 14 PRO O 1 1 14 6576 1 1 16 GLU C C -11.814 4.602 2.161 1.00 . A A . 15 GLU C 1 1 14 6577 1 1 16 GLU CA C -13.124 5.319 1.845 1.00 . A A . 15 GLU CA 1 1 14 6578 1 1 16 GLU CB C -13.994 5.412 3.097 1.00 . A A . 15 GLU CB 1 1 14 6579 1 1 16 GLU CD C -16.124 6.274 4.131 1.00 . A A . 15 GLU CD 1 1 14 6580 1 1 16 GLU CG C -15.220 6.289 2.919 1.00 . A A . 15 GLU CG 1 1 14 6581 1 1 16 GLU H H -14.719 4.225 0.968 1.00 . A A . 15 GLU H 1 1 14 6582 1 1 16 GLU HA H -12.896 6.318 1.506 1.00 . A A . 15 GLU HA 1 1 14 6583 1 1 16 GLU HB2 H -14.328 4.421 3.361 1.00 . A A . 15 GLU HB2 1 1 14 6584 1 1 16 GLU HB3 H -13.403 5.813 3.906 1.00 . A A . 15 GLU HB3 1 1 14 6585 1 1 16 GLU HG2 H -14.899 7.303 2.739 1.00 . A A . 15 GLU HG2 1 1 14 6586 1 1 16 GLU HG3 H -15.777 5.933 2.068 1.00 . A A . 15 GLU HG3 1 1 14 6587 1 1 16 GLU N N -13.853 4.648 0.771 1.00 . A A . 15 GLU N 1 1 14 6588 1 1 16 GLU O O -10.766 5.238 2.313 1.00 . A A . 15 GLU O 1 1 14 6589 1 1 16 GLU OE1 O -17.081 5.474 4.151 1.00 . A A . 15 GLU OE1 1 1 14 6590 1 1 16 GLU OE2 O -15.883 7.070 5.065 1.00 . A A . 15 GLU OE2 1 1 14 6591 1 1 17 LYS C C -9.811 2.373 1.286 1.00 . A A . 16 LYS C 1 1 14 6592 1 1 17 LYS CA C -10.695 2.476 2.523 1.00 . A A . 16 LYS CA 1 1 14 6593 1 1 17 LYS CB C -11.099 1.076 3.000 1.00 . A A . 16 LYS CB 1 1 14 6594 1 1 17 LYS CD C -9.082 0.666 4.461 1.00 . A A . 16 LYS CD 1 1 14 6595 1 1 17 LYS CE C -7.898 -0.249 4.729 1.00 . A A . 16 LYS CE 1 1 14 6596 1 1 17 LYS CG C -9.921 0.157 3.297 1.00 . A A . 16 LYS CG 1 1 14 6597 1 1 17 LYS H H -12.731 2.835 2.088 1.00 . A A . 16 LYS H 1 1 14 6598 1 1 17 LYS HA H -10.142 2.971 3.308 1.00 . A A . 16 LYS HA 1 1 14 6599 1 1 17 LYS HB2 H -11.686 1.172 3.903 1.00 . A A . 16 LYS HB2 1 1 14 6600 1 1 17 LYS HB3 H -11.706 0.608 2.234 1.00 . A A . 16 LYS HB3 1 1 14 6601 1 1 17 LYS HD2 H -8.715 1.654 4.224 1.00 . A A . 16 LYS HD2 1 1 14 6602 1 1 17 LYS HD3 H -9.699 0.711 5.346 1.00 . A A . 16 LYS HD3 1 1 14 6603 1 1 17 LYS HE2 H -8.261 -1.256 4.865 1.00 . A A . 16 LYS HE2 1 1 14 6604 1 1 17 LYS HE3 H -7.236 -0.219 3.874 1.00 . A A . 16 LYS HE3 1 1 14 6605 1 1 17 LYS HG2 H -10.295 -0.826 3.542 1.00 . A A . 16 LYS HG2 1 1 14 6606 1 1 17 LYS HG3 H -9.298 0.096 2.418 1.00 . A A . 16 LYS HG3 1 1 14 6607 1 1 17 LYS HZ1 H -6.737 1.110 5.814 1.00 . A A . 16 LYS HZ1 1 1 14 6608 1 1 17 LYS HZ2 H -6.367 -0.510 6.121 1.00 . A A . 16 LYS HZ2 1 1 14 6609 1 1 17 LYS HZ3 H -7.768 0.170 6.770 1.00 . A A . 16 LYS HZ3 1 1 14 6610 1 1 17 LYS N N -11.873 3.281 2.237 1.00 . A A . 16 LYS N 1 1 14 6611 1 1 17 LYS NZ N -7.140 0.158 5.941 1.00 . A A . 16 LYS NZ 1 1 14 6612 1 1 17 LYS O O -8.591 2.301 1.389 1.00 . A A . 16 LYS O 1 1 14 6613 1 1 18 LEU C C -8.856 3.531 -1.350 1.00 . A A . 17 LEU C 1 1 14 6614 1 1 18 LEU CA C -9.722 2.292 -1.144 1.00 . A A . 17 LEU CA 1 1 14 6615 1 1 18 LEU CB C -10.716 2.132 -2.296 1.00 . A A . 17 LEU CB 1 1 14 6616 1 1 18 LEU CD1 C -9.276 0.553 -3.604 1.00 . A A . 17 LEU CD1 1 1 14 6617 1 1 18 LEU CD2 C -11.205 1.689 -4.696 1.00 . A A . 17 LEU CD2 1 1 14 6618 1 1 18 LEU CG C -10.106 1.825 -3.660 1.00 . A A . 17 LEU CG 1 1 14 6619 1 1 18 LEU H H -11.420 2.461 0.104 1.00 . A A . 17 LEU H 1 1 14 6620 1 1 18 LEU HA H -9.089 1.423 -1.102 1.00 . A A . 17 LEU HA 1 1 14 6621 1 1 18 LEU HB2 H -11.396 1.329 -2.045 1.00 . A A . 17 LEU HB2 1 1 14 6622 1 1 18 LEU HB3 H -11.283 3.046 -2.379 1.00 . A A . 17 LEU HB3 1 1 14 6623 1 1 18 LEU HD11 H -8.442 0.698 -2.936 1.00 . A A . 17 LEU HD11 1 1 14 6624 1 1 18 LEU HD12 H -8.911 0.316 -4.592 1.00 . A A . 17 LEU HD12 1 1 14 6625 1 1 18 LEU HD13 H -9.888 -0.259 -3.241 1.00 . A A . 17 LEU HD13 1 1 14 6626 1 1 18 LEU HD21 H -10.770 1.475 -5.660 1.00 . A A . 17 LEU HD21 1 1 14 6627 1 1 18 LEU HD22 H -11.767 2.611 -4.748 1.00 . A A . 17 LEU HD22 1 1 14 6628 1 1 18 LEU HD23 H -11.865 0.882 -4.409 1.00 . A A . 17 LEU HD23 1 1 14 6629 1 1 18 LEU HG H -9.460 2.639 -3.957 1.00 . A A . 17 LEU HG 1 1 14 6630 1 1 18 LEU N N -10.439 2.387 0.118 1.00 . A A . 17 LEU N 1 1 14 6631 1 1 18 LEU O O -7.738 3.449 -1.861 1.00 . A A . 17 LEU O 1 1 14 6632 1 1 19 ALA C C -7.498 5.923 0.000 1.00 . A A . 18 ALA C 1 1 14 6633 1 1 19 ALA CA C -8.645 5.925 -1.001 1.00 . A A . 18 ALA CA 1 1 14 6634 1 1 19 ALA CB C -9.578 7.092 -0.740 1.00 . A A . 18 ALA CB 1 1 14 6635 1 1 19 ALA H H -10.292 4.676 -0.575 1.00 . A A . 18 ALA H 1 1 14 6636 1 1 19 ALA HA H -8.244 6.024 -1.997 1.00 . A A . 18 ALA HA 1 1 14 6637 1 1 19 ALA HB1 H -10.385 7.071 -1.456 1.00 . A A . 18 ALA HB1 1 1 14 6638 1 1 19 ALA HB2 H -9.034 8.019 -0.836 1.00 . A A . 18 ALA HB2 1 1 14 6639 1 1 19 ALA HB3 H -9.982 7.010 0.258 1.00 . A A . 18 ALA HB3 1 1 14 6640 1 1 19 ALA N N -9.380 4.674 -0.933 1.00 . A A . 18 ALA N 1 1 14 6641 1 1 19 ALA O O -6.381 6.343 -0.316 1.00 . A A . 18 ALA O 1 1 14 6642 1 1 20 LYS C C -5.678 4.336 1.789 1.00 . A A . 19 LYS C 1 1 14 6643 1 1 20 LYS CA C -6.766 5.306 2.242 1.00 . A A . 19 LYS CA 1 1 14 6644 1 1 20 LYS CB C -7.399 4.817 3.551 1.00 . A A . 19 LYS CB 1 1 14 6645 1 1 20 LYS CD C -5.887 6.115 5.101 1.00 . A A . 19 LYS CD 1 1 14 6646 1 1 20 LYS CE C -6.972 7.006 5.688 1.00 . A A . 19 LYS CE 1 1 14 6647 1 1 20 LYS CG C -6.422 4.742 4.719 1.00 . A A . 19 LYS CG 1 1 14 6648 1 1 20 LYS H H -8.704 5.171 1.405 1.00 . A A . 19 LYS H 1 1 14 6649 1 1 20 LYS HA H -6.327 6.277 2.402 1.00 . A A . 19 LYS HA 1 1 14 6650 1 1 20 LYS HB2 H -8.201 5.487 3.821 1.00 . A A . 19 LYS HB2 1 1 14 6651 1 1 20 LYS HB3 H -7.808 3.829 3.391 1.00 . A A . 19 LYS HB3 1 1 14 6652 1 1 20 LYS HD2 H -5.105 5.991 5.834 1.00 . A A . 19 LYS HD2 1 1 14 6653 1 1 20 LYS HD3 H -5.482 6.590 4.220 1.00 . A A . 19 LYS HD3 1 1 14 6654 1 1 20 LYS HE2 H -7.821 7.005 5.024 1.00 . A A . 19 LYS HE2 1 1 14 6655 1 1 20 LYS HE3 H -7.266 6.608 6.648 1.00 . A A . 19 LYS HE3 1 1 14 6656 1 1 20 LYS HG2 H -6.928 4.316 5.571 1.00 . A A . 19 LYS HG2 1 1 14 6657 1 1 20 LYS HG3 H -5.593 4.109 4.437 1.00 . A A . 19 LYS HG3 1 1 14 6658 1 1 20 LYS HZ1 H -5.689 8.431 6.517 1.00 . A A . 19 LYS HZ1 1 1 14 6659 1 1 20 LYS HZ2 H -7.262 8.991 6.263 1.00 . A A . 19 LYS HZ2 1 1 14 6660 1 1 20 LYS HZ3 H -6.212 8.805 4.953 1.00 . A A . 19 LYS HZ3 1 1 14 6661 1 1 20 LYS N N -7.782 5.438 1.206 1.00 . A A . 19 LYS N 1 1 14 6662 1 1 20 LYS NZ N -6.501 8.405 5.869 1.00 . A A . 19 LYS NZ 1 1 14 6663 1 1 20 LYS O O -4.496 4.537 2.064 1.00 . A A . 19 LYS O 1 1 14 6664 1 1 21 4PH C33 C -2.738 -2.600 -2.839 1.00 . A A . 20 4PH C33 1 1 14 6665 1 1 21 4PH H33 H -1.761 -2.176 -3.016 1.00 . A A . 20 4PH H33 1 1 14 6666 1 1 21 4PH H33A H -2.648 -3.490 -2.232 1.00 . A A . 20 4PH H33A 1 1 14 6667 1 1 21 4PH H33B H -3.192 -2.849 -3.788 1.00 . A A . 20 4PH H33B 1 1 14 6668 1 1 22 GLN C C -2.858 5.407 -1.567 1.00 . A A . 21 GLN C 1 1 14 6669 1 1 22 GLN CA C -3.867 4.522 -2.294 1.00 . A A . 21 GLN CA 1 1 14 6670 1 1 22 GLN CB C -4.726 5.366 -3.238 1.00 . A A . 21 GLN CB 1 1 14 6671 1 1 22 GLN CD C -4.775 3.749 -5.178 1.00 . A A . 21 GLN CD 1 1 14 6672 1 1 22 GLN CG C -5.592 4.537 -4.170 1.00 . A A . 21 GLN CG 1 1 14 6673 1 1 22 GLN H H -5.686 3.928 -1.376 1.00 . A A . 21 GLN H 1 1 14 6674 1 1 22 GLN HA H -3.326 3.790 -2.875 1.00 . A A . 21 GLN HA 1 1 14 6675 1 1 22 GLN HB2 H -5.373 6.000 -2.649 1.00 . A A . 21 GLN HB2 1 1 14 6676 1 1 22 GLN HB3 H -4.079 5.987 -3.840 1.00 . A A . 21 GLN HB3 1 1 14 6677 1 1 22 GLN HE21 H -4.620 2.219 -3.923 1.00 . A A . 21 GLN HE21 1 1 14 6678 1 1 22 GLN HE22 H -3.853 2.015 -5.453 1.00 . A A . 21 GLN HE22 1 1 14 6679 1 1 22 GLN HG2 H -6.171 3.845 -3.578 1.00 . A A . 21 GLN HG2 1 1 14 6680 1 1 22 GLN HG3 H -6.258 5.198 -4.706 1.00 . A A . 21 GLN HG3 1 1 14 6681 1 1 22 GLN N N -4.713 3.801 -1.343 1.00 . A A . 21 GLN N 1 1 14 6682 1 1 22 GLN NE2 N -4.375 2.541 -4.814 1.00 . A A . 21 GLN NE2 1 1 14 6683 1 1 22 GLN O O -1.747 5.627 -2.052 1.00 . A A . 21 GLN O 1 1 14 6684 1 1 22 GLN OE1 O -4.500 4.228 -6.277 1.00 . A A . 21 GLN OE1 1 1 14 6685 1 1 23 ALA C C -1.346 5.823 1.142 1.00 . A A . 22 ALA C 1 1 14 6686 1 1 23 ALA CA C -2.367 6.703 0.428 1.00 . A A . 22 ALA CA 1 1 14 6687 1 1 23 ALA CB C -3.183 7.490 1.435 1.00 . A A . 22 ALA CB 1 1 14 6688 1 1 23 ALA H H -4.158 5.711 -0.082 1.00 . A A . 22 ALA H 1 1 14 6689 1 1 23 ALA HA H -1.849 7.401 -0.210 1.00 . A A . 22 ALA HA 1 1 14 6690 1 1 23 ALA HB1 H -2.528 8.126 2.012 1.00 . A A . 22 ALA HB1 1 1 14 6691 1 1 23 ALA HB2 H -3.694 6.804 2.094 1.00 . A A . 22 ALA HB2 1 1 14 6692 1 1 23 ALA HB3 H -3.909 8.094 0.913 1.00 . A A . 22 ALA HB3 1 1 14 6693 1 1 23 ALA N N -3.249 5.897 -0.399 1.00 . A A . 22 ALA N 1 1 14 6694 1 1 23 ALA O O -0.213 6.236 1.383 1.00 . A A . 22 ALA O 1 1 14 6695 1 1 24 ASP C C 0.198 3.142 1.175 1.00 . A A . 23 ASP C 1 1 14 6696 1 1 24 ASP CA C -0.880 3.646 2.135 1.00 . A A . 23 ASP CA 1 1 14 6697 1 1 24 ASP CB C -1.686 2.471 2.705 1.00 . A A . 23 ASP CB 1 1 14 6698 1 1 24 ASP CG C -0.814 1.463 3.424 1.00 . A A . 23 ASP CG 1 1 14 6699 1 1 24 ASP H H -2.684 4.352 1.270 1.00 . A A . 23 ASP H 1 1 14 6700 1 1 24 ASP HA H -0.395 4.163 2.950 1.00 . A A . 23 ASP HA 1 1 14 6701 1 1 24 ASP HB2 H -2.412 2.849 3.410 1.00 . A A . 23 ASP HB2 1 1 14 6702 1 1 24 ASP HB3 H -2.200 1.967 1.899 1.00 . A A . 23 ASP HB3 1 1 14 6703 1 1 24 ASP N N -1.757 4.606 1.469 1.00 . A A . 23 ASP N 1 1 14 6704 1 1 24 ASP O O 1.309 2.809 1.594 1.00 . A A . 23 ASP O 1 1 14 6705 1 1 24 ASP OD1 O -0.265 1.802 4.491 1.00 . A A . 23 ASP OD1 1 1 14 6706 1 1 24 ASP OD2 O -0.684 0.322 2.937 1.00 . A A . 23 ASP OD2 1 1 14 6707 1 1 25 LEU C C 2.019 3.741 -1.127 1.00 . A A . 24 LEU C 1 1 14 6708 1 1 25 LEU CA C 0.848 2.772 -1.155 1.00 . A A . 24 LEU CA 1 1 14 6709 1 1 25 LEU CB C 0.210 2.781 -2.555 1.00 . A A . 24 LEU CB 1 1 14 6710 1 1 25 LEU CD1 C 0.629 0.431 -3.346 1.00 . A A . 24 LEU CD1 1 1 14 6711 1 1 25 LEU CD2 C -1.383 0.924 -1.974 1.00 . A A . 24 LEU CD2 1 1 14 6712 1 1 25 LEU CG C -0.434 1.468 -3.020 1.00 . A A . 24 LEU CG 1 1 14 6713 1 1 25 LEU H H -1.057 3.294 -0.379 1.00 . A A . 24 LEU H 1 1 14 6714 1 1 25 LEU HA H 1.221 1.779 -0.948 1.00 . A A . 24 LEU HA 1 1 14 6715 1 1 25 LEU HB2 H -0.553 3.550 -2.568 1.00 . A A . 24 LEU HB2 1 1 14 6716 1 1 25 LEU HB3 H 0.975 3.049 -3.268 1.00 . A A . 24 LEU HB3 1 1 14 6717 1 1 25 LEU HD11 H 0.153 -0.500 -3.617 1.00 . A A . 24 LEU HD11 1 1 14 6718 1 1 25 LEU HD12 H 1.259 0.276 -2.485 1.00 . A A . 24 LEU HD12 1 1 14 6719 1 1 25 LEU HD13 H 1.230 0.781 -4.174 1.00 . A A . 24 LEU HD13 1 1 14 6720 1 1 25 LEU HD21 H -0.838 0.725 -1.064 1.00 . A A . 24 LEU HD21 1 1 14 6721 1 1 25 LEU HD22 H -1.831 0.010 -2.334 1.00 . A A . 24 LEU HD22 1 1 14 6722 1 1 25 LEU HD23 H -2.156 1.652 -1.777 1.00 . A A . 24 LEU HD23 1 1 14 6723 1 1 25 LEU HG H -1.002 1.655 -3.920 1.00 . A A . 24 LEU HG 1 1 14 6724 1 1 25 LEU N N -0.131 3.104 -0.118 1.00 . A A . 24 LEU N 1 1 14 6725 1 1 25 LEU O O 3.128 3.390 -1.513 1.00 . A A . 24 LEU O 1 1 14 6726 1 1 26 ALA C C 3.945 5.509 0.344 1.00 . A A . 25 ALA C 1 1 14 6727 1 1 26 ALA CA C 2.813 5.969 -0.565 1.00 . A A . 25 ALA CA 1 1 14 6728 1 1 26 ALA CB C 2.234 7.282 -0.072 1.00 . A A . 25 ALA CB 1 1 14 6729 1 1 26 ALA H H 0.861 5.177 -0.356 1.00 . A A . 25 ALA H 1 1 14 6730 1 1 26 ALA HA H 3.207 6.126 -1.559 1.00 . A A . 25 ALA HA 1 1 14 6731 1 1 26 ALA HB1 H 3.007 8.034 -0.057 1.00 . A A . 25 ALA HB1 1 1 14 6732 1 1 26 ALA HB2 H 1.841 7.148 0.925 1.00 . A A . 25 ALA HB2 1 1 14 6733 1 1 26 ALA HB3 H 1.440 7.595 -0.732 1.00 . A A . 25 ALA HB3 1 1 14 6734 1 1 26 ALA N N 1.770 4.955 -0.653 1.00 . A A . 25 ALA N 1 1 14 6735 1 1 26 ALA O O 5.110 5.841 0.114 1.00 . A A . 25 ALA O 1 1 14 6736 1 1 27 LYS C C 5.466 3.176 1.495 1.00 . A A . 26 LYS C 1 1 14 6737 1 1 27 LYS CA C 4.611 4.174 2.261 1.00 . A A . 26 LYS CA 1 1 14 6738 1 1 27 LYS CB C 3.965 3.454 3.449 1.00 . A A . 26 LYS CB 1 1 14 6739 1 1 27 LYS CD C 2.612 3.546 5.546 1.00 . A A . 26 LYS CD 1 1 14 6740 1 1 27 LYS CE C 1.487 4.241 6.294 1.00 . A A . 26 LYS CE 1 1 14 6741 1 1 27 LYS CG C 3.031 4.304 4.293 1.00 . A A . 26 LYS CG 1 1 14 6742 1 1 27 LYS H H 2.659 4.525 1.525 1.00 . A A . 26 LYS H 1 1 14 6743 1 1 27 LYS HA H 5.232 4.979 2.620 1.00 . A A . 26 LYS HA 1 1 14 6744 1 1 27 LYS HB2 H 3.399 2.616 3.076 1.00 . A A . 26 LYS HB2 1 1 14 6745 1 1 27 LYS HB3 H 4.749 3.080 4.088 1.00 . A A . 26 LYS HB3 1 1 14 6746 1 1 27 LYS HD2 H 2.282 2.560 5.260 1.00 . A A . 26 LYS HD2 1 1 14 6747 1 1 27 LYS HD3 H 3.467 3.461 6.202 1.00 . A A . 26 LYS HD3 1 1 14 6748 1 1 27 LYS HE2 H 1.356 3.758 7.252 1.00 . A A . 26 LYS HE2 1 1 14 6749 1 1 27 LYS HE3 H 1.759 5.275 6.448 1.00 . A A . 26 LYS HE3 1 1 14 6750 1 1 27 LYS HG2 H 3.539 5.211 4.581 1.00 . A A . 26 LYS HG2 1 1 14 6751 1 1 27 LYS HG3 H 2.152 4.543 3.715 1.00 . A A . 26 LYS HG3 1 1 14 6752 1 1 27 LYS HZ1 H 0.245 4.804 4.715 1.00 . A A . 26 LYS HZ1 1 1 14 6753 1 1 27 LYS HZ2 H -0.582 4.494 6.155 1.00 . A A . 26 LYS HZ2 1 1 14 6754 1 1 27 LYS HZ3 H 0.014 3.206 5.227 1.00 . A A . 26 LYS HZ3 1 1 14 6755 1 1 27 LYS N N 3.606 4.733 1.370 1.00 . A A . 26 LYS N 1 1 14 6756 1 1 27 LYS NZ N 0.203 4.185 5.546 1.00 . A A . 26 LYS NZ 1 1 14 6757 1 1 27 LYS O O 6.699 3.221 1.535 1.00 . A A . 26 LYS O 1 1 14 6758 1 1 28 4PH C33 C 6.136 -3.789 -3.987 1.00 . A A . 27 4PH C33 1 1 14 6759 1 1 28 4PH H33 H 5.332 -4.050 -4.657 1.00 . A A . 27 4PH H33 1 1 14 6760 1 1 28 4PH H33A H 6.978 -3.422 -4.554 1.00 . A A . 27 4PH H33A 1 1 14 6761 1 1 28 4PH H33B H 6.429 -4.665 -3.424 1.00 . A A . 27 4PH H33B 1 1 14 6762 1 1 29 GLN C C 7.557 3.814 -2.840 1.00 . A A . 28 GLN C 1 1 14 6763 1 1 29 GLN CA C 6.280 3.039 -3.157 1.00 . A A . 28 GLN CA 1 1 14 6764 1 1 29 GLN CB C 5.319 3.916 -3.966 1.00 . A A . 28 GLN CB 1 1 14 6765 1 1 29 GLN CD C 3.119 4.078 -5.209 1.00 . A A . 28 GLN CD 1 1 14 6766 1 1 29 GLN CG C 4.101 3.166 -4.502 1.00 . A A . 28 GLN CG 1 1 14 6767 1 1 29 GLN H H 4.735 2.888 -1.712 1.00 . A A . 28 GLN H 1 1 14 6768 1 1 29 GLN HA H 6.543 2.174 -3.747 1.00 . A A . 28 GLN HA 1 1 14 6769 1 1 29 GLN HB2 H 4.968 4.721 -3.334 1.00 . A A . 28 GLN HB2 1 1 14 6770 1 1 29 GLN HB3 H 5.855 4.338 -4.804 1.00 . A A . 28 GLN HB3 1 1 14 6771 1 1 29 GLN HE21 H 2.520 2.583 -6.369 1.00 . A A . 28 GLN HE21 1 1 14 6772 1 1 29 GLN HE22 H 1.748 4.102 -6.644 1.00 . A A . 28 GLN HE22 1 1 14 6773 1 1 29 GLN HG2 H 4.435 2.412 -5.201 1.00 . A A . 28 GLN HG2 1 1 14 6774 1 1 29 GLN HG3 H 3.595 2.686 -3.676 1.00 . A A . 28 GLN HG3 1 1 14 6775 1 1 29 GLN N N 5.635 2.560 -1.939 1.00 . A A . 28 GLN N 1 1 14 6776 1 1 29 GLN NE2 N 2.390 3.534 -6.169 1.00 . A A . 28 GLN NE2 1 1 14 6777 1 1 29 GLN O O 8.558 3.695 -3.548 1.00 . A A . 28 GLN O 1 1 14 6778 1 1 29 GLN OE1 O 3.012 5.264 -4.890 1.00 . A A . 28 GLN OE1 1 1 14 6779 1 1 30 LYS C C 9.776 4.454 -0.819 1.00 . A A . 29 LYS C 1 1 14 6780 1 1 30 LYS CA C 8.682 5.371 -1.356 1.00 . A A . 29 LYS CA 1 1 14 6781 1 1 30 LYS CB C 8.285 6.395 -0.290 1.00 . A A . 29 LYS CB 1 1 14 6782 1 1 30 LYS CD C 8.992 8.230 1.271 1.00 . A A . 29 LYS CD 1 1 14 6783 1 1 30 LYS CE C 10.136 9.123 1.727 1.00 . A A . 29 LYS CE 1 1 14 6784 1 1 30 LYS CG C 9.437 7.265 0.186 1.00 . A A . 29 LYS CG 1 1 14 6785 1 1 30 LYS H H 6.697 4.649 -1.244 1.00 . A A . 29 LYS H 1 1 14 6786 1 1 30 LYS HA H 9.058 5.892 -2.223 1.00 . A A . 29 LYS HA 1 1 14 6787 1 1 30 LYS HB2 H 7.522 7.041 -0.696 1.00 . A A . 29 LYS HB2 1 1 14 6788 1 1 30 LYS HB3 H 7.882 5.871 0.565 1.00 . A A . 29 LYS HB3 1 1 14 6789 1 1 30 LYS HD2 H 8.198 8.851 0.885 1.00 . A A . 29 LYS HD2 1 1 14 6790 1 1 30 LYS HD3 H 8.631 7.664 2.117 1.00 . A A . 29 LYS HD3 1 1 14 6791 1 1 30 LYS HE2 H 9.778 9.771 2.514 1.00 . A A . 29 LYS HE2 1 1 14 6792 1 1 30 LYS HE3 H 10.931 8.499 2.110 1.00 . A A . 29 LYS HE3 1 1 14 6793 1 1 30 LYS HG2 H 10.216 6.631 0.580 1.00 . A A . 29 LYS HG2 1 1 14 6794 1 1 30 LYS HG3 H 9.819 7.829 -0.651 1.00 . A A . 29 LYS HG3 1 1 14 6795 1 1 30 LYS HZ1 H 9.911 10.547 0.216 1.00 . A A . 29 LYS HZ1 1 1 14 6796 1 1 30 LYS HZ2 H 11.059 9.353 -0.132 1.00 . A A . 29 LYS HZ2 1 1 14 6797 1 1 30 LYS HZ3 H 11.423 10.579 0.968 1.00 . A A . 29 LYS HZ3 1 1 14 6798 1 1 30 LYS N N 7.521 4.595 -1.770 1.00 . A A . 29 LYS N 1 1 14 6799 1 1 30 LYS NZ N 10.668 9.959 0.618 1.00 . A A . 29 LYS NZ 1 1 14 6800 1 1 30 LYS O O 10.946 4.584 -1.180 1.00 . A A . 29 LYS O 1 1 14 6801 1 1 31 ASP C C 10.917 1.624 -0.366 1.00 . A A . 30 ASP C 1 1 14 6802 1 1 31 ASP CA C 10.341 2.605 0.656 1.00 . A A . 30 ASP CA 1 1 14 6803 1 1 31 ASP CB C 9.680 1.856 1.820 1.00 . A A . 30 ASP CB 1 1 14 6804 1 1 31 ASP CG C 10.625 0.908 2.529 1.00 . A A . 30 ASP CG 1 1 14 6805 1 1 31 ASP H H 8.428 3.424 0.237 1.00 . A A . 30 ASP H 1 1 14 6806 1 1 31 ASP HA H 11.151 3.207 1.045 1.00 . A A . 30 ASP HA 1 1 14 6807 1 1 31 ASP HB2 H 9.319 2.572 2.545 1.00 . A A . 30 ASP HB2 1 1 14 6808 1 1 31 ASP HB3 H 8.845 1.283 1.444 1.00 . A A . 30 ASP HB3 1 1 14 6809 1 1 31 ASP N N 9.384 3.512 0.028 1.00 . A A . 30 ASP N 1 1 14 6810 1 1 31 ASP O O 12.094 1.272 -0.303 1.00 . A A . 30 ASP O 1 1 14 6811 1 1 31 ASP OD1 O 11.582 1.382 3.176 1.00 . A A . 30 ASP OD1 1 1 14 6812 1 1 31 ASP OD2 O 10.393 -0.314 2.475 1.00 . A A . 30 ASP OD2 1 1 14 6813 1 1 32 LEU C C 11.581 0.995 -3.244 1.00 . A A . 31 LEU C 1 1 14 6814 1 1 32 LEU CA C 10.523 0.307 -2.385 1.00 . A A . 31 LEU CA 1 1 14 6815 1 1 32 LEU CB C 9.315 -0.102 -3.250 1.00 . A A . 31 LEU CB 1 1 14 6816 1 1 32 LEU CD1 C 10.480 -1.361 -5.115 1.00 . A A . 31 LEU CD1 1 1 14 6817 1 1 32 LEU CD2 C 9.737 -2.566 -3.064 1.00 . A A . 31 LEU CD2 1 1 14 6818 1 1 32 LEU CG C 9.429 -1.428 -4.018 1.00 . A A . 31 LEU CG 1 1 14 6819 1 1 32 LEU H H 9.151 1.505 -1.303 1.00 . A A . 31 LEU H 1 1 14 6820 1 1 32 LEU HA H 10.953 -0.571 -1.930 1.00 . A A . 31 LEU HA 1 1 14 6821 1 1 32 LEU HB2 H 8.449 -0.165 -2.605 1.00 . A A . 31 LEU HB2 1 1 14 6822 1 1 32 LEU HB3 H 9.142 0.686 -3.968 1.00 . A A . 31 LEU HB3 1 1 14 6823 1 1 32 LEU HD11 H 10.517 -2.306 -5.636 1.00 . A A . 31 LEU HD11 1 1 14 6824 1 1 32 LEU HD12 H 11.443 -1.154 -4.675 1.00 . A A . 31 LEU HD12 1 1 14 6825 1 1 32 LEU HD13 H 10.226 -0.575 -5.811 1.00 . A A . 31 LEU HD13 1 1 14 6826 1 1 32 LEU HD21 H 10.737 -2.449 -2.675 1.00 . A A . 31 LEU HD21 1 1 14 6827 1 1 32 LEU HD22 H 9.661 -3.506 -3.589 1.00 . A A . 31 LEU HD22 1 1 14 6828 1 1 32 LEU HD23 H 9.028 -2.549 -2.248 1.00 . A A . 31 LEU HD23 1 1 14 6829 1 1 32 LEU HG H 8.479 -1.642 -4.487 1.00 . A A . 31 LEU HG 1 1 14 6830 1 1 32 LEU N N 10.088 1.207 -1.321 1.00 . A A . 31 LEU N 1 1 14 6831 1 1 32 LEU O O 12.578 0.384 -3.634 1.00 . A A . 31 LEU O 1 1 14 6832 1 1 33 ALA C C 13.648 3.140 -3.668 1.00 . A A . 32 ALA C 1 1 14 6833 1 1 33 ALA CA C 12.277 3.061 -4.327 1.00 . A A . 32 ALA CA 1 1 14 6834 1 1 33 ALA CB C 11.713 4.453 -4.549 1.00 . A A . 32 ALA CB 1 1 14 6835 1 1 33 ALA H H 10.543 2.696 -3.182 1.00 . A A . 32 ALA H 1 1 14 6836 1 1 33 ALA HA H 12.376 2.581 -5.289 1.00 . A A . 32 ALA HA 1 1 14 6837 1 1 33 ALA HB1 H 11.620 4.959 -3.599 1.00 . A A . 32 ALA HB1 1 1 14 6838 1 1 33 ALA HB2 H 10.741 4.379 -5.013 1.00 . A A . 32 ALA HB2 1 1 14 6839 1 1 33 ALA HB3 H 12.377 5.013 -5.190 1.00 . A A . 32 ALA HB3 1 1 14 6840 1 1 33 ALA N N 11.356 2.271 -3.525 1.00 . A A . 32 ALA N 1 1 14 6841 1 1 33 ALA O O 14.671 2.887 -4.305 1.00 . A A . 32 ALA O 1 1 14 6842 1 1 34 ASP C C 15.597 2.237 -1.494 1.00 . A A . 33 ASP C 1 1 14 6843 1 1 34 ASP CA C 14.899 3.589 -1.622 1.00 . A A . 33 ASP CA 1 1 14 6844 1 1 34 ASP CB C 14.620 4.173 -0.232 1.00 . A A . 33 ASP CB 1 1 14 6845 1 1 34 ASP CG C 15.829 4.107 0.682 1.00 . A A . 33 ASP CG 1 1 14 6846 1 1 34 ASP H H 12.801 3.658 -1.937 1.00 . A A . 33 ASP H 1 1 14 6847 1 1 34 ASP HA H 15.550 4.262 -2.158 1.00 . A A . 33 ASP HA 1 1 14 6848 1 1 34 ASP HB2 H 14.329 5.208 -0.334 1.00 . A A . 33 ASP HB2 1 1 14 6849 1 1 34 ASP HB3 H 13.814 3.622 0.231 1.00 . A A . 33 ASP HB3 1 1 14 6850 1 1 34 ASP N N 13.656 3.475 -2.384 1.00 . A A . 33 ASP N 1 1 14 6851 1 1 34 ASP O O 16.825 2.149 -1.581 1.00 . A A . 33 ASP O 1 1 14 6852 1 1 34 ASP OD1 O 16.786 4.885 0.476 1.00 . A A . 33 ASP OD1 1 1 14 6853 1 1 34 ASP OD2 O 15.826 3.284 1.621 1.00 . A A . 33 ASP OD2 1 1 14 6854 1 1 35 4PH C33 C 15.866 -6.339 0.680 1.00 . A A . 34 4PH C33 1 1 14 6855 1 1 35 4PH H33 H 16.871 -6.523 0.337 1.00 . A A . 34 4PH H33 1 1 14 6856 1 1 35 4PH H33A H 15.823 -6.441 1.755 1.00 . A A . 34 4PH H33A 1 1 14 6857 1 1 35 4PH H33B H 15.197 -7.053 0.218 1.00 . A A . 34 4PH H33B 1 1 14 6858 1 1 36 NH2 HN1 H 14.550 0.123 -3.502 1.00 . A A . 35 NH2 HN1 1 1 14 6859 1 1 36 NH2 HN2 H 15.817 -0.660 -4.381 1.00 . A A . 35 NH2 HN2 1 1 14 6860 1 1 36 NH2 N N 15.399 -0.367 -3.545 1.00 . A A . 35 NH2 N 1 1 15 6861 1 1 1 ACE C C 12.421 -3.511 6.095 1.00 . A A . 0 ACE C 1 1 15 6862 1 1 1 ACE CH3 C 13.370 -2.573 5.405 1.00 . A A . 0 ACE CH3 1 1 15 6863 1 1 1 ACE H1 H 14.110 -3.162 4.874 1.00 . A A . 0 ACE H1 1 1 15 6864 1 1 1 ACE H2 H 13.859 -1.958 6.135 1.00 . A A . 0 ACE H2 1 1 15 6865 1 1 1 ACE H3 H 12.805 -1.946 4.723 1.00 . A A . 0 ACE H3 1 1 15 6866 1 1 1 ACE O O 11.696 -3.119 7.012 1.00 . A A . 0 ACE O 1 1 15 6867 1 1 2 PRO C C 10.412 -4.704 4.179 1.00 . A A . 1 PRO C 1 1 15 6868 1 1 2 PRO CA C 11.863 -5.150 4.348 1.00 . A A . 1 PRO CA 1 1 15 6869 1 1 2 PRO CB C 11.957 -6.682 4.344 1.00 . A A . 1 PRO CB 1 1 15 6870 1 1 2 PRO CD C 12.885 -5.938 6.418 1.00 . A A . 1 PRO CD 1 1 15 6871 1 1 2 PRO CG C 12.975 -7.017 5.376 1.00 . A A . 1 PRO CG 1 1 15 6872 1 1 2 PRO HA H 12.463 -4.743 3.548 1.00 . A A . 1 PRO HA 1 1 15 6873 1 1 2 PRO HB2 H 10.993 -7.110 4.599 1.00 . A A . 1 PRO HB2 1 1 15 6874 1 1 2 PRO HB3 H 12.280 -7.034 3.378 1.00 . A A . 1 PRO HB3 1 1 15 6875 1 1 2 PRO HD2 H 12.187 -6.215 7.195 1.00 . A A . 1 PRO HD2 1 1 15 6876 1 1 2 PRO HD3 H 13.860 -5.734 6.839 1.00 . A A . 1 PRO HD3 1 1 15 6877 1 1 2 PRO HG2 H 12.752 -7.984 5.808 1.00 . A A . 1 PRO HG2 1 1 15 6878 1 1 2 PRO HG3 H 13.961 -7.020 4.932 1.00 . A A . 1 PRO HG3 1 1 15 6879 1 1 2 PRO N N 12.392 -4.776 5.662 1.00 . A A . 1 PRO N 1 1 15 6880 1 1 2 PRO O O 9.533 -5.142 4.923 1.00 . A A . 1 PRO O 1 1 15 6881 1 1 3 PRO C C 7.865 -4.354 2.388 1.00 . A A . 2 PRO C 1 1 15 6882 1 1 3 PRO CA C 8.789 -3.297 2.984 1.00 . A A . 2 PRO CA 1 1 15 6883 1 1 3 PRO CB C 8.999 -2.145 1.997 1.00 . A A . 2 PRO CB 1 1 15 6884 1 1 3 PRO CD C 11.126 -3.234 2.278 1.00 . A A . 2 PRO CD 1 1 15 6885 1 1 3 PRO CG C 10.286 -2.442 1.309 1.00 . A A . 2 PRO CG 1 1 15 6886 1 1 3 PRO HA H 8.353 -2.918 3.899 1.00 . A A . 2 PRO HA 1 1 15 6887 1 1 3 PRO HB2 H 8.182 -2.115 1.288 1.00 . A A . 2 PRO HB2 1 1 15 6888 1 1 3 PRO HB3 H 9.073 -1.207 2.526 1.00 . A A . 2 PRO HB3 1 1 15 6889 1 1 3 PRO HD2 H 11.661 -4.015 1.758 1.00 . A A . 2 PRO HD2 1 1 15 6890 1 1 3 PRO HD3 H 11.817 -2.586 2.798 1.00 . A A . 2 PRO HD3 1 1 15 6891 1 1 3 PRO HG2 H 10.093 -3.021 0.414 1.00 . A A . 2 PRO HG2 1 1 15 6892 1 1 3 PRO HG3 H 10.784 -1.519 1.058 1.00 . A A . 2 PRO HG3 1 1 15 6893 1 1 3 PRO N N 10.140 -3.809 3.216 1.00 . A A . 2 PRO N 1 1 15 6894 1 1 3 PRO O O 7.907 -4.627 1.187 1.00 . A A . 2 PRO O 1 1 15 6895 1 1 4 THR C C 4.965 -5.374 2.022 1.00 . A A . 3 THR C 1 1 15 6896 1 1 4 THR CA C 6.117 -5.984 2.813 1.00 . A A . 3 THR CA 1 1 15 6897 1 1 4 THR CB C 5.575 -6.759 4.028 1.00 . A A . 3 THR CB 1 1 15 6898 1 1 4 THR CG2 C 6.501 -7.904 4.411 1.00 . A A . 3 THR CG2 1 1 15 6899 1 1 4 THR H H 7.068 -4.703 4.183 1.00 . A A . 3 THR H 1 1 15 6900 1 1 4 THR HA H 6.650 -6.676 2.180 1.00 . A A . 3 THR HA 1 1 15 6901 1 1 4 THR HB H 4.609 -7.170 3.772 1.00 . A A . 3 THR HB 1 1 15 6902 1 1 4 THR HG1 H 4.507 -5.895 5.448 1.00 . A A . 3 THR HG1 1 1 15 6903 1 1 4 THR HG21 H 6.106 -8.414 5.278 1.00 . A A . 3 THR HG21 1 1 15 6904 1 1 4 THR HG22 H 7.483 -7.516 4.638 1.00 . A A . 3 THR HG22 1 1 15 6905 1 1 4 THR HG23 H 6.572 -8.598 3.588 1.00 . A A . 3 THR HG23 1 1 15 6906 1 1 4 THR N N 7.049 -4.958 3.239 1.00 . A A . 3 THR N 1 1 15 6907 1 1 4 THR O O 4.277 -4.470 2.505 1.00 . A A . 3 THR O 1 1 15 6908 1 1 4 THR OG1 O 5.422 -5.869 5.142 1.00 . A A . 3 THR OG1 1 1 15 6909 1 1 5 LYS C C 2.356 -5.838 0.411 1.00 . A A . 4 LYS C 1 1 15 6910 1 1 5 LYS CA C 3.722 -5.341 -0.063 1.00 . A A . 4 LYS CA 1 1 15 6911 1 1 5 LYS CB C 3.963 -5.738 -1.529 1.00 . A A . 4 LYS CB 1 1 15 6912 1 1 5 LYS CD C 4.071 -7.535 -3.274 1.00 . A A . 4 LYS CD 1 1 15 6913 1 1 5 LYS CE C 3.824 -9.003 -3.590 1.00 . A A . 4 LYS CE 1 1 15 6914 1 1 5 LYS CG C 3.787 -7.216 -1.815 1.00 . A A . 4 LYS CG 1 1 15 6915 1 1 5 LYS H H 5.381 -6.550 0.463 1.00 . A A . 4 LYS H 1 1 15 6916 1 1 5 LYS HA H 3.734 -4.264 0.013 1.00 . A A . 4 LYS HA 1 1 15 6917 1 1 5 LYS HB2 H 3.274 -5.192 -2.156 1.00 . A A . 4 LYS HB2 1 1 15 6918 1 1 5 LYS HB3 H 4.973 -5.465 -1.801 1.00 . A A . 4 LYS HB3 1 1 15 6919 1 1 5 LYS HD2 H 3.427 -6.934 -3.897 1.00 . A A . 4 LYS HD2 1 1 15 6920 1 1 5 LYS HD3 H 5.103 -7.301 -3.488 1.00 . A A . 4 LYS HD3 1 1 15 6921 1 1 5 LYS HE2 H 4.067 -9.179 -4.626 1.00 . A A . 4 LYS HE2 1 1 15 6922 1 1 5 LYS HE3 H 4.465 -9.604 -2.964 1.00 . A A . 4 LYS HE3 1 1 15 6923 1 1 5 LYS HG2 H 4.467 -7.777 -1.194 1.00 . A A . 4 LYS HG2 1 1 15 6924 1 1 5 LYS HG3 H 2.767 -7.494 -1.585 1.00 . A A . 4 LYS HG3 1 1 15 6925 1 1 5 LYS HZ1 H 2.255 -10.381 -3.649 1.00 . A A . 4 LYS HZ1 1 1 15 6926 1 1 5 LYS HZ2 H 1.769 -8.781 -3.896 1.00 . A A . 4 LYS HZ2 1 1 15 6927 1 1 5 LYS HZ3 H 2.176 -9.309 -2.344 1.00 . A A . 4 LYS HZ3 1 1 15 6928 1 1 5 LYS N N 4.782 -5.849 0.797 1.00 . A A . 4 LYS N 1 1 15 6929 1 1 5 LYS NZ N 2.408 -9.395 -3.354 1.00 . A A . 4 LYS NZ 1 1 15 6930 1 1 5 LYS O O 2.197 -7.008 0.769 1.00 . A A . 4 LYS O 1 1 15 6931 1 1 6 PRO C C -0.810 -5.942 -0.230 1.00 . A A . 5 PRO C 1 1 15 6932 1 1 6 PRO CA C 0.002 -5.271 0.876 1.00 . A A . 5 PRO CA 1 1 15 6933 1 1 6 PRO CB C -0.585 -3.906 1.227 1.00 . A A . 5 PRO CB 1 1 15 6934 1 1 6 PRO CD C 1.498 -3.516 0.084 1.00 . A A . 5 PRO CD 1 1 15 6935 1 1 6 PRO CG C 0.134 -2.933 0.355 1.00 . A A . 5 PRO CG 1 1 15 6936 1 1 6 PRO HA H 0.003 -5.902 1.753 1.00 . A A . 5 PRO HA 1 1 15 6937 1 1 6 PRO HB2 H -1.647 -3.900 1.022 1.00 . A A . 5 PRO HB2 1 1 15 6938 1 1 6 PRO HB3 H -0.403 -3.677 2.263 1.00 . A A . 5 PRO HB3 1 1 15 6939 1 1 6 PRO HD2 H 1.745 -3.413 -0.962 1.00 . A A . 5 PRO HD2 1 1 15 6940 1 1 6 PRO HD3 H 2.246 -3.032 0.699 1.00 . A A . 5 PRO HD3 1 1 15 6941 1 1 6 PRO HG2 H -0.408 -2.805 -0.572 1.00 . A A . 5 PRO HG2 1 1 15 6942 1 1 6 PRO HG3 H 0.233 -1.988 0.863 1.00 . A A . 5 PRO HG3 1 1 15 6943 1 1 6 PRO N N 1.363 -4.939 0.449 1.00 . A A . 5 PRO N 1 1 15 6944 1 1 6 PRO O O -0.422 -5.925 -1.399 1.00 . A A . 5 PRO O 1 1 15 6945 1 1 7 THR C C -3.879 -6.258 -1.318 1.00 . A A . 6 THR C 1 1 15 6946 1 1 7 THR CA C -2.794 -7.207 -0.816 1.00 . A A . 6 THR CA 1 1 15 6947 1 1 7 THR CB C -3.454 -8.466 -0.215 1.00 . A A . 6 THR CB 1 1 15 6948 1 1 7 THR CG2 C -4.437 -8.098 0.885 1.00 . A A . 6 THR CG2 1 1 15 6949 1 1 7 THR H H -2.174 -6.547 1.094 1.00 . A A . 6 THR H 1 1 15 6950 1 1 7 THR HA H -2.187 -7.512 -1.654 1.00 . A A . 6 THR HA 1 1 15 6951 1 1 7 THR HB H -2.682 -9.088 0.208 1.00 . A A . 6 THR HB 1 1 15 6952 1 1 7 THR HG1 H -3.904 -10.137 -1.163 1.00 . A A . 6 THR HG1 1 1 15 6953 1 1 7 THR HG21 H -3.917 -7.568 1.670 1.00 . A A . 6 THR HG21 1 1 15 6954 1 1 7 THR HG22 H -4.879 -8.996 1.290 1.00 . A A . 6 THR HG22 1 1 15 6955 1 1 7 THR HG23 H -5.211 -7.467 0.476 1.00 . A A . 6 THR HG23 1 1 15 6956 1 1 7 THR N N -1.928 -6.544 0.146 1.00 . A A . 6 THR N 1 1 15 6957 1 1 7 THR O O -4.234 -5.289 -0.643 1.00 . A A . 6 THR O 1 1 15 6958 1 1 7 THR OG1 O -4.140 -9.204 -1.236 1.00 . A A . 6 THR OG1 1 1 15 6959 1 1 8 LYS C C -6.769 -5.991 -2.338 1.00 . A A . 7 LYS C 1 1 15 6960 1 1 8 LYS CA C -5.464 -5.762 -3.098 1.00 . A A . 7 LYS CA 1 1 15 6961 1 1 8 LYS CB C -5.648 -6.138 -4.571 1.00 . A A . 7 LYS CB 1 1 15 6962 1 1 8 LYS CD C -4.169 -4.327 -5.508 1.00 . A A . 7 LYS CD 1 1 15 6963 1 1 8 LYS CE C -3.044 -4.002 -6.477 1.00 . A A . 7 LYS CE 1 1 15 6964 1 1 8 LYS CG C -4.444 -5.822 -5.448 1.00 . A A . 7 LYS CG 1 1 15 6965 1 1 8 LYS H H -4.034 -7.315 -2.995 1.00 . A A . 7 LYS H 1 1 15 6966 1 1 8 LYS HA H -5.197 -4.719 -3.032 1.00 . A A . 7 LYS HA 1 1 15 6967 1 1 8 LYS HB2 H -5.842 -7.198 -4.636 1.00 . A A . 7 LYS HB2 1 1 15 6968 1 1 8 LYS HB3 H -6.500 -5.602 -4.963 1.00 . A A . 7 LYS HB3 1 1 15 6969 1 1 8 LYS HD2 H -5.065 -3.817 -5.829 1.00 . A A . 7 LYS HD2 1 1 15 6970 1 1 8 LYS HD3 H -3.891 -3.984 -4.522 1.00 . A A . 7 LYS HD3 1 1 15 6971 1 1 8 LYS HE2 H -2.158 -4.539 -6.174 1.00 . A A . 7 LYS HE2 1 1 15 6972 1 1 8 LYS HE3 H -3.335 -4.321 -7.468 1.00 . A A . 7 LYS HE3 1 1 15 6973 1 1 8 LYS HG2 H -3.576 -6.321 -5.043 1.00 . A A . 7 LYS HG2 1 1 15 6974 1 1 8 LYS HG3 H -4.634 -6.185 -6.448 1.00 . A A . 7 LYS HG3 1 1 15 6975 1 1 8 LYS HZ1 H -2.022 -2.346 -7.235 1.00 . A A . 7 LYS HZ1 1 1 15 6976 1 1 8 LYS HZ2 H -2.367 -2.238 -5.586 1.00 . A A . 7 LYS HZ2 1 1 15 6977 1 1 8 LYS HZ3 H -3.597 -2.000 -6.723 1.00 . A A . 7 LYS HZ3 1 1 15 6978 1 1 8 LYS N N -4.387 -6.545 -2.506 1.00 . A A . 7 LYS N 1 1 15 6979 1 1 8 LYS NZ N -2.738 -2.546 -6.508 1.00 . A A . 7 LYS NZ 1 1 15 6980 1 1 8 LYS O O -7.235 -7.127 -2.225 1.00 . A A . 7 LYS O 1 1 15 6981 1 1 9 PRO C C -9.749 -5.566 -1.972 1.00 . A A . 8 PRO C 1 1 15 6982 1 1 9 PRO CA C -8.646 -5.001 -1.082 1.00 . A A . 8 PRO CA 1 1 15 6983 1 1 9 PRO CB C -8.946 -3.542 -0.711 1.00 . A A . 8 PRO CB 1 1 15 6984 1 1 9 PRO CD C -6.820 -3.548 -1.794 1.00 . A A . 8 PRO CD 1 1 15 6985 1 1 9 PRO CG C -7.630 -2.849 -0.736 1.00 . A A . 8 PRO CG 1 1 15 6986 1 1 9 PRO HA H -8.570 -5.599 -0.185 1.00 . A A . 8 PRO HA 1 1 15 6987 1 1 9 PRO HB2 H -9.622 -3.109 -1.440 1.00 . A A . 8 PRO HB2 1 1 15 6988 1 1 9 PRO HB3 H -9.377 -3.492 0.278 1.00 . A A . 8 PRO HB3 1 1 15 6989 1 1 9 PRO HD2 H -6.973 -3.083 -2.757 1.00 . A A . 8 PRO HD2 1 1 15 6990 1 1 9 PRO HD3 H -5.770 -3.544 -1.531 1.00 . A A . 8 PRO HD3 1 1 15 6991 1 1 9 PRO HG2 H -7.771 -1.807 -0.991 1.00 . A A . 8 PRO HG2 1 1 15 6992 1 1 9 PRO HG3 H -7.141 -2.939 0.225 1.00 . A A . 8 PRO HG3 1 1 15 6993 1 1 9 PRO N N -7.359 -4.920 -1.785 1.00 . A A . 8 PRO N 1 1 15 6994 1 1 9 PRO O O -9.886 -5.170 -3.130 1.00 . A A . 8 PRO O 1 1 15 6995 1 1 10 GLY C C -12.937 -6.534 -1.873 1.00 . A A . 9 GLY C 1 1 15 6996 1 1 10 GLY CA C -11.581 -7.118 -2.209 1.00 . A A . 9 GLY CA 1 1 15 6997 1 1 10 GLY H H -10.374 -6.769 -0.505 1.00 . A A . 9 GLY H 1 1 15 6998 1 1 10 GLY HA2 H -11.385 -6.965 -3.258 1.00 . A A . 9 GLY HA2 1 1 15 6999 1 1 10 GLY HA3 H -11.596 -8.178 -2.005 1.00 . A A . 9 GLY HA3 1 1 15 7000 1 1 10 GLY N N -10.519 -6.502 -1.437 1.00 . A A . 9 GLY N 1 1 15 7001 1 1 10 GLY O O -13.515 -5.790 -2.664 1.00 . A A . 9 GLY O 1 1 15 7002 1 1 11 ASP C C -14.478 -5.060 0.595 1.00 . A A . 10 ASP C 1 1 15 7003 1 1 11 ASP CA C -14.708 -6.316 -0.221 1.00 . A A . 10 ASP CA 1 1 15 7004 1 1 11 ASP CB C -15.472 -7.346 0.613 1.00 . A A . 10 ASP CB 1 1 15 7005 1 1 11 ASP CG C -15.971 -8.507 -0.218 1.00 . A A . 10 ASP CG 1 1 15 7006 1 1 11 ASP H H -12.926 -7.461 -0.105 1.00 . A A . 10 ASP H 1 1 15 7007 1 1 11 ASP HA H -15.298 -6.063 -1.091 1.00 . A A . 10 ASP HA 1 1 15 7008 1 1 11 ASP HB2 H -14.821 -7.733 1.383 1.00 . A A . 10 ASP HB2 1 1 15 7009 1 1 11 ASP HB3 H -16.320 -6.866 1.073 1.00 . A A . 10 ASP HB3 1 1 15 7010 1 1 11 ASP N N -13.431 -6.850 -0.684 1.00 . A A . 10 ASP N 1 1 15 7011 1 1 11 ASP O O -15.346 -4.195 0.696 1.00 . A A . 10 ASP O 1 1 15 7012 1 1 11 ASP OD1 O -16.922 -8.318 -1.004 1.00 . A A . 10 ASP OD1 1 1 15 7013 1 1 11 ASP OD2 O -15.421 -9.617 -0.088 1.00 . A A . 10 ASP OD2 1 1 15 7014 1 1 12 ASN C C -12.348 -2.705 1.001 1.00 . A A . 11 ASN C 1 1 15 7015 1 1 12 ASN CA C -12.888 -3.790 1.930 1.00 . A A . 11 ASN CA 1 1 15 7016 1 1 12 ASN CB C -11.846 -4.161 2.994 1.00 . A A . 11 ASN CB 1 1 15 7017 1 1 12 ASN CG C -10.562 -4.729 2.409 1.00 . A A . 11 ASN CG 1 1 15 7018 1 1 12 ASN H H -12.650 -5.701 1.062 1.00 . A A . 11 ASN H 1 1 15 7019 1 1 12 ASN HA H -13.770 -3.410 2.422 1.00 . A A . 11 ASN HA 1 1 15 7020 1 1 12 ASN HB2 H -11.596 -3.277 3.561 1.00 . A A . 11 ASN HB2 1 1 15 7021 1 1 12 ASN HB3 H -12.272 -4.898 3.660 1.00 . A A . 11 ASN HB3 1 1 15 7022 1 1 12 ASN HD21 H -9.519 -4.040 3.952 1.00 . A A . 11 ASN HD21 1 1 15 7023 1 1 12 ASN HD22 H -8.611 -4.886 2.753 1.00 . A A . 11 ASN HD22 1 1 15 7024 1 1 12 ASN N N -13.287 -4.961 1.161 1.00 . A A . 11 ASN N 1 1 15 7025 1 1 12 ASN ND2 N -9.453 -4.531 3.108 1.00 . A A . 11 ASN ND2 1 1 15 7026 1 1 12 ASN O O -11.792 -1.705 1.448 1.00 . A A . 11 ASN O 1 1 15 7027 1 1 12 ASN OD1 O -10.568 -5.353 1.349 1.00 . A A . 11 ASN OD1 1 1 15 7028 1 1 13 ALA C C -13.048 -0.798 -1.446 1.00 . A A . 12 ALA C 1 1 15 7029 1 1 13 ALA CA C -12.090 -1.979 -1.325 1.00 . A A . 12 ALA CA 1 1 15 7030 1 1 13 ALA CB C -11.972 -2.693 -2.661 1.00 . A A . 12 ALA CB 1 1 15 7031 1 1 13 ALA H H -12.969 -3.744 -0.580 1.00 . A A . 12 ALA H 1 1 15 7032 1 1 13 ALA HA H -11.115 -1.614 -1.049 1.00 . A A . 12 ALA HA 1 1 15 7033 1 1 13 ALA HB1 H -11.575 -2.012 -3.398 1.00 . A A . 12 ALA HB1 1 1 15 7034 1 1 13 ALA HB2 H -12.948 -3.035 -2.971 1.00 . A A . 12 ALA HB2 1 1 15 7035 1 1 13 ALA HB3 H -11.309 -3.540 -2.558 1.00 . A A . 12 ALA HB3 1 1 15 7036 1 1 13 ALA N N -12.526 -2.921 -0.300 1.00 . A A . 12 ALA N 1 1 15 7037 1 1 13 ALA O O -13.136 -0.166 -2.498 1.00 . A A . 12 ALA O 1 1 15 7038 1 1 14 THR C C -13.951 1.911 -0.603 1.00 . A A . 13 THR C 1 1 15 7039 1 1 14 THR CA C -14.689 0.607 -0.334 1.00 . A A . 13 THR CA 1 1 15 7040 1 1 14 THR CB C -15.403 0.692 1.026 1.00 . A A . 13 THR CB 1 1 15 7041 1 1 14 THR CG2 C -16.375 -0.465 1.203 1.00 . A A . 13 THR CG2 1 1 15 7042 1 1 14 THR H H -13.626 -1.040 0.444 1.00 . A A . 13 THR H 1 1 15 7043 1 1 14 THR HA H -15.432 0.455 -1.102 1.00 . A A . 13 THR HA 1 1 15 7044 1 1 14 THR HB H -15.960 1.616 1.065 1.00 . A A . 13 THR HB 1 1 15 7045 1 1 14 THR HG1 H -14.897 0.751 2.933 1.00 . A A . 13 THR HG1 1 1 15 7046 1 1 14 THR HG21 H -16.898 -0.354 2.140 1.00 . A A . 13 THR HG21 1 1 15 7047 1 1 14 THR HG22 H -15.831 -1.397 1.202 1.00 . A A . 13 THR HG22 1 1 15 7048 1 1 14 THR HG23 H -17.087 -0.462 0.392 1.00 . A A . 13 THR HG23 1 1 15 7049 1 1 14 THR N N -13.758 -0.508 -0.366 1.00 . A A . 13 THR N 1 1 15 7050 1 1 14 THR O O -12.796 2.055 -0.202 1.00 . A A . 13 THR O 1 1 15 7051 1 1 14 THR OG1 O -14.439 0.683 2.087 1.00 . A A . 13 THR OG1 1 1 15 7052 1 1 15 PRO C C -13.232 4.797 -0.471 1.00 . A A . 14 PRO C 1 1 15 7053 1 1 15 PRO CA C -13.982 4.158 -1.642 1.00 . A A . 14 PRO CA 1 1 15 7054 1 1 15 PRO CB C -15.184 5.015 -2.035 1.00 . A A . 14 PRO CB 1 1 15 7055 1 1 15 PRO CD C -15.971 2.750 -1.825 1.00 . A A . 14 PRO CD 1 1 15 7056 1 1 15 PRO CG C -16.195 4.055 -2.556 1.00 . A A . 14 PRO CG 1 1 15 7057 1 1 15 PRO HA H -13.312 4.061 -2.485 1.00 . A A . 14 PRO HA 1 1 15 7058 1 1 15 PRO HB2 H -15.560 5.542 -1.167 1.00 . A A . 14 PRO HB2 1 1 15 7059 1 1 15 PRO HB3 H -14.909 5.717 -2.808 1.00 . A A . 14 PRO HB3 1 1 15 7060 1 1 15 PRO HD2 H -16.681 2.639 -1.021 1.00 . A A . 14 PRO HD2 1 1 15 7061 1 1 15 PRO HD3 H -16.047 1.917 -2.508 1.00 . A A . 14 PRO HD3 1 1 15 7062 1 1 15 PRO HG2 H -17.191 4.433 -2.357 1.00 . A A . 14 PRO HG2 1 1 15 7063 1 1 15 PRO HG3 H -16.052 3.912 -3.619 1.00 . A A . 14 PRO HG3 1 1 15 7064 1 1 15 PRO N N -14.595 2.868 -1.298 1.00 . A A . 14 PRO N 1 1 15 7065 1 1 15 PRO O O -12.196 5.436 -0.664 1.00 . A A . 14 PRO O 1 1 15 7066 1 1 16 GLU C C -11.767 4.523 2.203 1.00 . A A . 15 GLU C 1 1 15 7067 1 1 16 GLU CA C -13.144 5.133 1.946 1.00 . A A . 15 GLU CA 1 1 15 7068 1 1 16 GLU CB C -14.051 4.874 3.154 1.00 . A A . 15 GLU CB 1 1 15 7069 1 1 16 GLU CD C -16.285 5.238 4.262 1.00 . A A . 15 GLU CD 1 1 15 7070 1 1 16 GLU CG C -15.392 5.579 3.086 1.00 . A A . 15 GLU CG 1 1 15 7071 1 1 16 GLU H H -14.559 4.043 0.815 1.00 . A A . 15 GLU H 1 1 15 7072 1 1 16 GLU HA H -13.035 6.197 1.812 1.00 . A A . 15 GLU HA 1 1 15 7073 1 1 16 GLU HB2 H -14.237 3.814 3.228 1.00 . A A . 15 GLU HB2 1 1 15 7074 1 1 16 GLU HB3 H -13.540 5.203 4.047 1.00 . A A . 15 GLU HB3 1 1 15 7075 1 1 16 GLU HG2 H -15.226 6.645 3.079 1.00 . A A . 15 GLU HG2 1 1 15 7076 1 1 16 GLU HG3 H -15.891 5.287 2.176 1.00 . A A . 15 GLU HG3 1 1 15 7077 1 1 16 GLU N N -13.749 4.588 0.737 1.00 . A A . 15 GLU N 1 1 15 7078 1 1 16 GLU O O -10.767 5.236 2.303 1.00 . A A . 15 GLU O 1 1 15 7079 1 1 16 GLU OE1 O -17.053 4.256 4.166 1.00 . A A . 15 GLU OE1 1 1 15 7080 1 1 16 GLU OE2 O -16.233 5.954 5.287 1.00 . A A . 15 GLU OE2 1 1 15 7081 1 1 17 LYS C C -9.580 2.326 1.452 1.00 . A A . 16 LYS C 1 1 15 7082 1 1 17 LYS CA C -10.492 2.509 2.658 1.00 . A A . 16 LYS CA 1 1 15 7083 1 1 17 LYS CB C -10.812 1.152 3.294 1.00 . A A . 16 LYS CB 1 1 15 7084 1 1 17 LYS CD C -9.945 -0.846 4.563 1.00 . A A . 16 LYS CD 1 1 15 7085 1 1 17 LYS CE C -8.714 -1.503 5.167 1.00 . A A . 16 LYS CE 1 1 15 7086 1 1 17 LYS CG C -9.583 0.428 3.819 1.00 . A A . 16 LYS CG 1 1 15 7087 1 1 17 LYS H H -12.513 2.673 2.070 1.00 . A A . 16 LYS H 1 1 15 7088 1 1 17 LYS HA H -9.983 3.122 3.385 1.00 . A A . 16 LYS HA 1 1 15 7089 1 1 17 LYS HB2 H -11.494 1.304 4.119 1.00 . A A . 16 LYS HB2 1 1 15 7090 1 1 17 LYS HB3 H -11.286 0.521 2.553 1.00 . A A . 16 LYS HB3 1 1 15 7091 1 1 17 LYS HD2 H -10.639 -0.606 5.355 1.00 . A A . 16 LYS HD2 1 1 15 7092 1 1 17 LYS HD3 H -10.409 -1.535 3.872 1.00 . A A . 16 LYS HD3 1 1 15 7093 1 1 17 LYS HE2 H -9.019 -2.385 5.708 1.00 . A A . 16 LYS HE2 1 1 15 7094 1 1 17 LYS HE3 H -8.046 -1.788 4.367 1.00 . A A . 16 LYS HE3 1 1 15 7095 1 1 17 LYS HG2 H -8.947 0.174 2.985 1.00 . A A . 16 LYS HG2 1 1 15 7096 1 1 17 LYS HG3 H -9.050 1.087 4.489 1.00 . A A . 16 LYS HG3 1 1 15 7097 1 1 17 LYS HZ1 H -7.563 0.193 5.571 1.00 . A A . 16 LYS HZ1 1 1 15 7098 1 1 17 LYS HZ2 H -7.241 -1.112 6.594 1.00 . A A . 16 LYS HZ2 1 1 15 7099 1 1 17 LYS HZ3 H -8.650 -0.205 6.803 1.00 . A A . 16 LYS HZ3 1 1 15 7100 1 1 17 LYS N N -11.715 3.198 2.284 1.00 . A A . 16 LYS N 1 1 15 7101 1 1 17 LYS NZ N -7.992 -0.594 6.097 1.00 . A A . 16 LYS NZ 1 1 15 7102 1 1 17 LYS O O -8.362 2.211 1.594 1.00 . A A . 16 LYS O 1 1 15 7103 1 1 18 LEU C C -8.502 3.389 -1.143 1.00 . A A . 17 LEU C 1 1 15 7104 1 1 18 LEU CA C -9.410 2.179 -0.966 1.00 . A A . 17 LEU CA 1 1 15 7105 1 1 18 LEU CB C -10.358 2.044 -2.158 1.00 . A A . 17 LEU CB 1 1 15 7106 1 1 18 LEU CD1 C -8.951 0.399 -3.411 1.00 . A A . 17 LEU CD1 1 1 15 7107 1 1 18 LEU CD2 C -10.752 1.659 -4.581 1.00 . A A . 17 LEU CD2 1 1 15 7108 1 1 18 LEU CG C -9.699 1.718 -3.493 1.00 . A A . 17 LEU CG 1 1 15 7109 1 1 18 LEU H H -11.153 2.375 0.218 1.00 . A A . 17 LEU H 1 1 15 7110 1 1 18 LEU HA H -8.806 1.292 -0.894 1.00 . A A . 17 LEU HA 1 1 15 7111 1 1 18 LEU HB2 H -11.069 1.261 -1.936 1.00 . A A . 17 LEU HB2 1 1 15 7112 1 1 18 LEU HB3 H -10.897 2.973 -2.267 1.00 . A A . 17 LEU HB3 1 1 15 7113 1 1 18 LEU HD11 H -8.174 0.473 -2.669 1.00 . A A . 17 LEU HD11 1 1 15 7114 1 1 18 LEU HD12 H -8.512 0.172 -4.371 1.00 . A A . 17 LEU HD12 1 1 15 7115 1 1 18 LEU HD13 H -9.638 -0.387 -3.134 1.00 . A A . 17 LEU HD13 1 1 15 7116 1 1 18 LEU HD21 H -10.280 1.451 -5.529 1.00 . A A . 17 LEU HD21 1 1 15 7117 1 1 18 LEU HD22 H -11.268 2.604 -4.631 1.00 . A A . 17 LEU HD22 1 1 15 7118 1 1 18 LEU HD23 H -11.457 0.873 -4.349 1.00 . A A . 17 LEU HD23 1 1 15 7119 1 1 18 LEU HG H -8.993 2.494 -3.746 1.00 . A A . 17 LEU HG 1 1 15 7120 1 1 18 LEU N N -10.171 2.308 0.267 1.00 . A A . 17 LEU N 1 1 15 7121 1 1 18 LEU O O -7.365 3.272 -1.605 1.00 . A A . 17 LEU O 1 1 15 7122 1 1 19 ALA C C -7.093 5.720 0.212 1.00 . A A . 18 ALA C 1 1 15 7123 1 1 19 ALA CA C -8.240 5.778 -0.786 1.00 . A A . 18 ALA CA 1 1 15 7124 1 1 19 ALA CB C -9.141 6.964 -0.492 1.00 . A A . 18 ALA CB 1 1 15 7125 1 1 19 ALA H H -9.928 4.572 -0.412 1.00 . A A . 18 ALA H 1 1 15 7126 1 1 19 ALA HA H -7.839 5.891 -1.781 1.00 . A A . 18 ALA HA 1 1 15 7127 1 1 19 ALA HB1 H -9.922 7.015 -1.236 1.00 . A A . 18 ALA HB1 1 1 15 7128 1 1 19 ALA HB2 H -8.559 7.873 -0.514 1.00 . A A . 18 ALA HB2 1 1 15 7129 1 1 19 ALA HB3 H -9.585 6.843 0.485 1.00 . A A . 18 ALA HB3 1 1 15 7130 1 1 19 ALA N N -9.008 4.547 -0.744 1.00 . A A . 18 ALA N 1 1 15 7131 1 1 19 ALA O O -5.966 6.115 -0.090 1.00 . A A . 18 ALA O 1 1 15 7132 1 1 20 LYS C C -5.322 4.022 1.939 1.00 . A A . 19 LYS C 1 1 15 7133 1 1 20 LYS CA C -6.369 5.017 2.426 1.00 . A A . 19 LYS CA 1 1 15 7134 1 1 20 LYS CB C -6.998 4.515 3.728 1.00 . A A . 19 LYS CB 1 1 15 7135 1 1 20 LYS CD C -5.313 5.550 5.279 1.00 . A A . 19 LYS CD 1 1 15 7136 1 1 20 LYS CE C -4.233 5.292 6.317 1.00 . A A . 19 LYS CE 1 1 15 7137 1 1 20 LYS CG C -5.983 4.261 4.832 1.00 . A A . 19 LYS CG 1 1 15 7138 1 1 20 LYS H H -8.316 4.967 1.601 1.00 . A A . 19 LYS H 1 1 15 7139 1 1 20 LYS HA H -5.892 5.968 2.604 1.00 . A A . 19 LYS HA 1 1 15 7140 1 1 20 LYS HB2 H -7.707 5.252 4.079 1.00 . A A . 19 LYS HB2 1 1 15 7141 1 1 20 LYS HB3 H -7.521 3.591 3.532 1.00 . A A . 19 LYS HB3 1 1 15 7142 1 1 20 LYS HD2 H -4.864 6.027 4.422 1.00 . A A . 19 LYS HD2 1 1 15 7143 1 1 20 LYS HD3 H -6.060 6.202 5.705 1.00 . A A . 19 LYS HD3 1 1 15 7144 1 1 20 LYS HE2 H -3.889 6.239 6.704 1.00 . A A . 19 LYS HE2 1 1 15 7145 1 1 20 LYS HE3 H -4.657 4.709 7.121 1.00 . A A . 19 LYS HE3 1 1 15 7146 1 1 20 LYS HG2 H -6.486 3.816 5.678 1.00 . A A . 19 LYS HG2 1 1 15 7147 1 1 20 LYS HG3 H -5.229 3.584 4.459 1.00 . A A . 19 LYS HG3 1 1 15 7148 1 1 20 LYS HZ1 H -3.365 3.608 5.430 1.00 . A A . 19 LYS HZ1 1 1 15 7149 1 1 20 LYS HZ2 H -2.327 4.451 6.464 1.00 . A A . 19 LYS HZ2 1 1 15 7150 1 1 20 LYS HZ3 H -2.680 5.075 4.935 1.00 . A A . 19 LYS HZ3 1 1 15 7151 1 1 20 LYS N N -7.388 5.212 1.404 1.00 . A A . 19 LYS N 1 1 15 7152 1 1 20 LYS NZ N -3.071 4.554 5.746 1.00 . A A . 19 LYS NZ 1 1 15 7153 1 1 20 LYS O O -4.131 4.177 2.200 1.00 . A A . 19 LYS O 1 1 15 7154 1 1 21 4PH C33 C -2.668 -3.135 -2.519 1.00 . A A . 20 4PH C33 1 1 15 7155 1 1 21 4PH H33 H -1.815 -3.363 -1.904 1.00 . A A . 20 4PH H33 1 1 15 7156 1 1 21 4PH H33A H -3.257 -4.026 -2.663 1.00 . A A . 20 4PH H33A 1 1 15 7157 1 1 21 4PH H33B H -2.327 -2.763 -3.476 1.00 . A A . 20 4PH H33B 1 1 15 7158 1 1 22 GLN C C -2.607 5.023 -1.544 1.00 . A A . 21 GLN C 1 1 15 7159 1 1 22 GLN CA C -3.614 4.113 -2.240 1.00 . A A . 21 GLN CA 1 1 15 7160 1 1 22 GLN CB C -4.468 4.921 -3.217 1.00 . A A . 21 GLN CB 1 1 15 7161 1 1 22 GLN CD C -4.388 3.259 -5.114 1.00 . A A . 21 GLN CD 1 1 15 7162 1 1 22 GLN CG C -5.272 4.057 -4.172 1.00 . A A . 21 GLN CG 1 1 15 7163 1 1 22 GLN H H -5.435 3.544 -1.306 1.00 . A A . 21 GLN H 1 1 15 7164 1 1 22 GLN HA H -3.072 3.359 -2.791 1.00 . A A . 21 GLN HA 1 1 15 7165 1 1 22 GLN HB2 H -5.154 5.536 -2.657 1.00 . A A . 21 GLN HB2 1 1 15 7166 1 1 22 GLN HB3 H -3.820 5.558 -3.802 1.00 . A A . 21 GLN HB3 1 1 15 7167 1 1 22 GLN HE21 H -4.307 1.746 -3.829 1.00 . A A . 21 GLN HE21 1 1 15 7168 1 1 22 GLN HE22 H -3.442 1.522 -5.304 1.00 . A A . 21 GLN HE22 1 1 15 7169 1 1 22 GLN HG2 H -5.873 3.371 -3.594 1.00 . A A . 21 GLN HG2 1 1 15 7170 1 1 22 GLN HG3 H -5.918 4.694 -4.759 1.00 . A A . 21 GLN HG3 1 1 15 7171 1 1 22 GLN N N -4.459 3.422 -1.267 1.00 . A A . 21 GLN N 1 1 15 7172 1 1 22 GLN NE2 N -4.006 2.056 -4.706 1.00 . A A . 21 GLN NE2 1 1 15 7173 1 1 22 GLN O O -1.461 5.150 -1.980 1.00 . A A . 21 GLN O 1 1 15 7174 1 1 22 GLN OE1 O -4.047 3.722 -6.203 1.00 . A A . 21 GLN OE1 1 1 15 7175 1 1 23 ALA C C -1.084 5.698 1.033 1.00 . A A . 22 ALA C 1 1 15 7176 1 1 23 ALA CA C -2.169 6.505 0.330 1.00 . A A . 22 ALA CA 1 1 15 7177 1 1 23 ALA CB C -2.995 7.278 1.335 1.00 . A A . 22 ALA CB 1 1 15 7178 1 1 23 ALA H H -3.965 5.517 -0.168 1.00 . A A . 22 ALA H 1 1 15 7179 1 1 23 ALA HA H -1.704 7.211 -0.339 1.00 . A A . 22 ALA HA 1 1 15 7180 1 1 23 ALA HB1 H -3.731 7.871 0.812 1.00 . A A . 22 ALA HB1 1 1 15 7181 1 1 23 ALA HB2 H -2.351 7.926 1.910 1.00 . A A . 22 ALA HB2 1 1 15 7182 1 1 23 ALA HB3 H -3.495 6.585 1.994 1.00 . A A . 22 ALA HB3 1 1 15 7183 1 1 23 ALA N N -3.035 5.641 -0.453 1.00 . A A . 22 ALA N 1 1 15 7184 1 1 23 ALA O O 0.066 6.128 1.127 1.00 . A A . 22 ALA O 1 1 15 7185 1 1 24 ASP C C 0.470 3.070 1.112 1.00 . A A . 23 ASP C 1 1 15 7186 1 1 24 ASP CA C -0.507 3.610 2.151 1.00 . A A . 23 ASP CA 1 1 15 7187 1 1 24 ASP CB C -1.246 2.456 2.843 1.00 . A A . 23 ASP CB 1 1 15 7188 1 1 24 ASP CG C -0.303 1.421 3.425 1.00 . A A . 23 ASP CG 1 1 15 7189 1 1 24 ASP H H -2.406 4.266 1.462 1.00 . A A . 23 ASP H 1 1 15 7190 1 1 24 ASP HA H 0.049 4.169 2.891 1.00 . A A . 23 ASP HA 1 1 15 7191 1 1 24 ASP HB2 H -1.848 2.853 3.648 1.00 . A A . 23 ASP HB2 1 1 15 7192 1 1 24 ASP HB3 H -1.889 1.966 2.128 1.00 . A A . 23 ASP HB3 1 1 15 7193 1 1 24 ASP N N -1.459 4.525 1.521 1.00 . A A . 23 ASP N 1 1 15 7194 1 1 24 ASP O O 1.656 2.891 1.390 1.00 . A A . 23 ASP O 1 1 15 7195 1 1 24 ASP OD1 O 0.268 1.672 4.508 1.00 . A A . 23 ASP OD1 1 1 15 7196 1 1 24 ASP OD2 O -0.109 0.361 2.791 1.00 . A A . 23 ASP OD2 1 1 15 7197 1 1 25 LEU C C 1.812 3.463 -1.586 1.00 . A A . 24 LEU C 1 1 15 7198 1 1 25 LEU CA C 0.809 2.394 -1.201 1.00 . A A . 24 LEU CA 1 1 15 7199 1 1 25 LEU CB C -0.028 1.987 -2.417 1.00 . A A . 24 LEU CB 1 1 15 7200 1 1 25 LEU CD1 C 0.650 -0.394 -2.819 1.00 . A A . 24 LEU CD1 1 1 15 7201 1 1 25 LEU CD2 C -1.045 0.120 -1.081 1.00 . A A . 24 LEU CD2 1 1 15 7202 1 1 25 LEU CG C -0.496 0.527 -2.433 1.00 . A A . 24 LEU CG 1 1 15 7203 1 1 25 LEU H H -0.995 2.956 -0.248 1.00 . A A . 24 LEU H 1 1 15 7204 1 1 25 LEU HA H 1.352 1.530 -0.857 1.00 . A A . 24 LEU HA 1 1 15 7205 1 1 25 LEU HB2 H -0.903 2.621 -2.452 1.00 . A A . 24 LEU HB2 1 1 15 7206 1 1 25 LEU HB3 H 0.559 2.161 -3.306 1.00 . A A . 24 LEU HB3 1 1 15 7207 1 1 25 LEU HD11 H 1.434 -0.322 -2.081 1.00 . A A . 24 LEU HD11 1 1 15 7208 1 1 25 LEU HD12 H 1.036 -0.100 -3.783 1.00 . A A . 24 LEU HD12 1 1 15 7209 1 1 25 LEU HD13 H 0.291 -1.412 -2.868 1.00 . A A . 24 LEU HD13 1 1 15 7210 1 1 25 LEU HD21 H -1.874 0.762 -0.823 1.00 . A A . 24 LEU HD21 1 1 15 7211 1 1 25 LEU HD22 H -0.271 0.215 -0.334 1.00 . A A . 24 LEU HD22 1 1 15 7212 1 1 25 LEU HD23 H -1.381 -0.905 -1.124 1.00 . A A . 24 LEU HD23 1 1 15 7213 1 1 25 LEU HG H -1.282 0.412 -3.164 1.00 . A A . 24 LEU HG 1 1 15 7214 1 1 25 LEU N N -0.031 2.837 -0.097 1.00 . A A . 24 LEU N 1 1 15 7215 1 1 25 LEU O O 2.910 3.150 -2.024 1.00 . A A . 24 LEU O 1 1 15 7216 1 1 26 ALA C C 3.553 5.724 -0.719 1.00 . A A . 25 ALA C 1 1 15 7217 1 1 26 ALA CA C 2.354 5.825 -1.655 1.00 . A A . 25 ALA CA 1 1 15 7218 1 1 26 ALA CB C 1.641 7.153 -1.473 1.00 . A A . 25 ALA CB 1 1 15 7219 1 1 26 ALA H H 0.518 4.913 -1.121 1.00 . A A . 25 ALA H 1 1 15 7220 1 1 26 ALA HA H 2.698 5.759 -2.677 1.00 . A A . 25 ALA HA 1 1 15 7221 1 1 26 ALA HB1 H 2.326 7.960 -1.684 1.00 . A A . 25 ALA HB1 1 1 15 7222 1 1 26 ALA HB2 H 1.289 7.236 -0.455 1.00 . A A . 25 ALA HB2 1 1 15 7223 1 1 26 ALA HB3 H 0.802 7.206 -2.149 1.00 . A A . 25 ALA HB3 1 1 15 7224 1 1 26 ALA N N 1.436 4.722 -1.413 1.00 . A A . 25 ALA N 1 1 15 7225 1 1 26 ALA O O 4.685 6.021 -1.099 1.00 . A A . 25 ALA O 1 1 15 7226 1 1 27 LYS C C 5.178 3.851 1.102 1.00 . A A . 26 LYS C 1 1 15 7227 1 1 27 LYS CA C 4.349 5.069 1.483 1.00 . A A . 26 LYS CA 1 1 15 7228 1 1 27 LYS CB C 3.747 4.895 2.879 1.00 . A A . 26 LYS CB 1 1 15 7229 1 1 27 LYS CD C 2.294 5.859 4.692 1.00 . A A . 26 LYS CD 1 1 15 7230 1 1 27 LYS CE C 3.261 5.481 5.802 1.00 . A A . 26 LYS CE 1 1 15 7231 1 1 27 LYS CG C 3.012 6.128 3.381 1.00 . A A . 26 LYS CG 1 1 15 7232 1 1 27 LYS H H 2.368 5.077 0.753 1.00 . A A . 26 LYS H 1 1 15 7233 1 1 27 LYS HA H 4.983 5.941 1.476 1.00 . A A . 26 LYS HA 1 1 15 7234 1 1 27 LYS HB2 H 3.049 4.071 2.858 1.00 . A A . 26 LYS HB2 1 1 15 7235 1 1 27 LYS HB3 H 4.540 4.665 3.572 1.00 . A A . 26 LYS HB3 1 1 15 7236 1 1 27 LYS HD2 H 1.757 6.746 4.984 1.00 . A A . 26 LYS HD2 1 1 15 7237 1 1 27 LYS HD3 H 1.598 5.047 4.544 1.00 . A A . 26 LYS HD3 1 1 15 7238 1 1 27 LYS HE2 H 3.797 4.592 5.509 1.00 . A A . 26 LYS HE2 1 1 15 7239 1 1 27 LYS HE3 H 3.961 6.290 5.946 1.00 . A A . 26 LYS HE3 1 1 15 7240 1 1 27 LYS HG2 H 3.725 6.926 3.531 1.00 . A A . 26 LYS HG2 1 1 15 7241 1 1 27 LYS HG3 H 2.288 6.428 2.639 1.00 . A A . 26 LYS HG3 1 1 15 7242 1 1 27 LYS HZ1 H 3.231 4.919 7.811 1.00 . A A . 26 LYS HZ1 1 1 15 7243 1 1 27 LYS HZ2 H 1.847 4.464 6.954 1.00 . A A . 26 LYS HZ2 1 1 15 7244 1 1 27 LYS HZ3 H 2.069 6.077 7.408 1.00 . A A . 26 LYS HZ3 1 1 15 7245 1 1 27 LYS N N 3.294 5.278 0.505 1.00 . A A . 26 LYS N 1 1 15 7246 1 1 27 LYS NZ N 2.554 5.217 7.082 1.00 . A A . 26 LYS NZ 1 1 15 7247 1 1 27 LYS O O 6.406 3.866 1.195 1.00 . A A . 26 LYS O 1 1 15 7248 1 1 28 4PH C33 C 6.262 -3.642 -3.390 1.00 . A A . 27 4PH C33 1 1 15 7249 1 1 28 4PH H33 H 6.441 -4.517 -2.787 1.00 . A A . 27 4PH H33 1 1 15 7250 1 1 28 4PH H33A H 5.573 -3.880 -4.187 1.00 . A A . 27 4PH H33A 1 1 15 7251 1 1 28 4PH H33B H 7.200 -3.303 -3.808 1.00 . A A . 27 4PH H33B 1 1 15 7252 1 1 29 GLN C C 7.491 3.856 -2.848 1.00 . A A . 28 GLN C 1 1 15 7253 1 1 29 GLN CA C 6.269 3.008 -3.183 1.00 . A A . 28 GLN CA 1 1 15 7254 1 1 29 GLN CB C 5.374 3.751 -4.180 1.00 . A A . 28 GLN CB 1 1 15 7255 1 1 29 GLN CD C 4.696 1.679 -5.481 1.00 . A A . 28 GLN CD 1 1 15 7256 1 1 29 GLN CG C 4.225 2.910 -4.729 1.00 . A A . 28 GLN CG 1 1 15 7257 1 1 29 GLN H H 4.607 3.000 -1.866 1.00 . A A . 28 GLN H 1 1 15 7258 1 1 29 GLN HA H 6.601 2.085 -3.634 1.00 . A A . 28 GLN HA 1 1 15 7259 1 1 29 GLN HB2 H 4.955 4.619 -3.689 1.00 . A A . 28 GLN HB2 1 1 15 7260 1 1 29 GLN HB3 H 5.983 4.078 -5.011 1.00 . A A . 28 GLN HB3 1 1 15 7261 1 1 29 GLN HE21 H 3.031 0.715 -4.997 1.00 . A A . 28 GLN HE21 1 1 15 7262 1 1 29 GLN HE22 H 4.154 -0.172 -5.961 1.00 . A A . 28 GLN HE22 1 1 15 7263 1 1 29 GLN HG2 H 3.604 2.589 -3.905 1.00 . A A . 28 GLN HG2 1 1 15 7264 1 1 29 GLN HG3 H 3.638 3.519 -5.398 1.00 . A A . 28 GLN HG3 1 1 15 7265 1 1 29 GLN N N 5.528 2.665 -1.974 1.00 . A A . 28 GLN N 1 1 15 7266 1 1 29 GLN NE2 N 3.880 0.638 -5.477 1.00 . A A . 28 GLN NE2 1 1 15 7267 1 1 29 GLN O O 8.504 3.811 -3.548 1.00 . A A . 28 GLN O 1 1 15 7268 1 1 29 GLN OE1 O 5.777 1.666 -6.068 1.00 . A A . 28 GLN OE1 1 1 15 7269 1 1 30 LYS C C 9.556 4.587 -0.639 1.00 . A A . 29 LYS C 1 1 15 7270 1 1 30 LYS CA C 8.497 5.452 -1.320 1.00 . A A . 29 LYS CA 1 1 15 7271 1 1 30 LYS CB C 7.991 6.540 -0.364 1.00 . A A . 29 LYS CB 1 1 15 7272 1 1 30 LYS CD C 9.743 8.230 -1.049 1.00 . A A . 29 LYS CD 1 1 15 7273 1 1 30 LYS CE C 8.751 9.046 -1.864 1.00 . A A . 29 LYS CE 1 1 15 7274 1 1 30 LYS CG C 9.070 7.503 0.110 1.00 . A A . 29 LYS CG 1 1 15 7275 1 1 30 LYS H H 6.541 4.651 -1.284 1.00 . A A . 29 LYS H 1 1 15 7276 1 1 30 LYS HA H 8.938 5.921 -2.186 1.00 . A A . 29 LYS HA 1 1 15 7277 1 1 30 LYS HB2 H 7.225 7.113 -0.864 1.00 . A A . 29 LYS HB2 1 1 15 7278 1 1 30 LYS HB3 H 7.560 6.065 0.505 1.00 . A A . 29 LYS HB3 1 1 15 7279 1 1 30 LYS HD2 H 10.494 8.895 -0.652 1.00 . A A . 29 LYS HD2 1 1 15 7280 1 1 30 LYS HD3 H 10.211 7.500 -1.693 1.00 . A A . 29 LYS HD3 1 1 15 7281 1 1 30 LYS HE2 H 8.029 8.376 -2.305 1.00 . A A . 29 LYS HE2 1 1 15 7282 1 1 30 LYS HE3 H 8.245 9.739 -1.209 1.00 . A A . 29 LYS HE3 1 1 15 7283 1 1 30 LYS HG2 H 8.621 8.236 0.764 1.00 . A A . 29 LYS HG2 1 1 15 7284 1 1 30 LYS HG3 H 9.818 6.947 0.656 1.00 . A A . 29 LYS HG3 1 1 15 7285 1 1 30 LYS HZ1 H 10.110 10.481 -2.543 1.00 . A A . 29 LYS HZ1 1 1 15 7286 1 1 30 LYS HZ2 H 8.725 10.339 -3.505 1.00 . A A . 29 LYS HZ2 1 1 15 7287 1 1 30 LYS HZ3 H 9.932 9.158 -3.582 1.00 . A A . 29 LYS HZ3 1 1 15 7288 1 1 30 LYS N N 7.389 4.629 -1.778 1.00 . A A . 29 LYS N 1 1 15 7289 1 1 30 LYS NZ N 9.426 9.810 -2.948 1.00 . A A . 29 LYS NZ 1 1 15 7290 1 1 30 LYS O O 10.742 4.668 -0.969 1.00 . A A . 29 LYS O 1 1 15 7291 1 1 31 ASP C C 10.697 1.875 0.094 1.00 . A A . 30 ASP C 1 1 15 7292 1 1 31 ASP CA C 10.034 2.880 1.033 1.00 . A A . 30 ASP CA 1 1 15 7293 1 1 31 ASP CB C 9.288 2.147 2.157 1.00 . A A . 30 ASP CB 1 1 15 7294 1 1 31 ASP CG C 10.222 1.554 3.194 1.00 . A A . 30 ASP CG 1 1 15 7295 1 1 31 ASP H H 8.154 3.701 0.486 1.00 . A A . 30 ASP H 1 1 15 7296 1 1 31 ASP HA H 10.799 3.507 1.467 1.00 . A A . 30 ASP HA 1 1 15 7297 1 1 31 ASP HB2 H 8.627 2.842 2.654 1.00 . A A . 30 ASP HB2 1 1 15 7298 1 1 31 ASP HB3 H 8.702 1.346 1.729 1.00 . A A . 30 ASP HB3 1 1 15 7299 1 1 31 ASP N N 9.119 3.742 0.289 1.00 . A A . 30 ASP N 1 1 15 7300 1 1 31 ASP O O 11.879 1.565 0.234 1.00 . A A . 30 ASP O 1 1 15 7301 1 1 31 ASP OD1 O 10.452 2.208 4.232 1.00 . A A . 30 ASP OD1 1 1 15 7302 1 1 31 ASP OD2 O 10.724 0.432 2.990 1.00 . A A . 30 ASP OD2 1 1 15 7303 1 1 32 LEU C C 11.544 1.085 -2.694 1.00 . A A . 31 LEU C 1 1 15 7304 1 1 32 LEU CA C 10.425 0.450 -1.873 1.00 . A A . 31 LEU CA 1 1 15 7305 1 1 32 LEU CB C 9.266 0.010 -2.787 1.00 . A A . 31 LEU CB 1 1 15 7306 1 1 32 LEU CD1 C 10.482 -1.316 -4.561 1.00 . A A . 31 LEU CD1 1 1 15 7307 1 1 32 LEU CD2 C 9.723 -2.430 -2.459 1.00 . A A . 31 LEU CD2 1 1 15 7308 1 1 32 LEU CG C 9.414 -1.352 -3.481 1.00 . A A . 31 LEU CG 1 1 15 7309 1 1 32 LEU H H 8.989 1.685 -0.930 1.00 . A A . 31 LEU H 1 1 15 7310 1 1 32 LEU HA H 10.816 -0.405 -1.351 1.00 . A A . 31 LEU HA 1 1 15 7311 1 1 32 LEU HB2 H 8.364 -0.017 -2.194 1.00 . A A . 31 LEU HB2 1 1 15 7312 1 1 32 LEU HB3 H 9.145 0.760 -3.552 1.00 . A A . 31 LEU HB3 1 1 15 7313 1 1 32 LEU HD11 H 10.192 -0.614 -5.330 1.00 . A A . 31 LEU HD11 1 1 15 7314 1 1 32 LEU HD12 H 10.591 -2.300 -4.993 1.00 . A A . 31 LEU HD12 1 1 15 7315 1 1 32 LEU HD13 H 11.420 -1.006 -4.127 1.00 . A A . 31 LEU HD13 1 1 15 7316 1 1 32 LEU HD21 H 8.981 -2.399 -1.672 1.00 . A A . 31 LEU HD21 1 1 15 7317 1 1 32 LEU HD22 H 10.704 -2.261 -2.041 1.00 . A A . 31 LEU HD22 1 1 15 7318 1 1 32 LEU HD23 H 9.699 -3.396 -2.939 1.00 . A A . 31 LEU HD23 1 1 15 7319 1 1 32 LEU HG H 8.477 -1.605 -3.953 1.00 . A A . 31 LEU HG 1 1 15 7320 1 1 32 LEU N N 9.930 1.399 -0.882 1.00 . A A . 31 LEU N 1 1 15 7321 1 1 32 LEU O O 12.577 0.462 -2.947 1.00 . A A . 31 LEU O 1 1 15 7322 1 1 33 ALA C C 13.605 3.271 -3.141 1.00 . A A . 32 ALA C 1 1 15 7323 1 1 33 ALA CA C 12.298 3.066 -3.895 1.00 . A A . 32 ALA CA 1 1 15 7324 1 1 33 ALA CB C 11.715 4.405 -4.309 1.00 . A A . 32 ALA CB 1 1 15 7325 1 1 33 ALA H H 10.496 2.775 -2.838 1.00 . A A . 32 ALA H 1 1 15 7326 1 1 33 ALA HA H 12.493 2.493 -4.788 1.00 . A A . 32 ALA HA 1 1 15 7327 1 1 33 ALA HB1 H 11.564 5.016 -3.432 1.00 . A A . 32 ALA HB1 1 1 15 7328 1 1 33 ALA HB2 H 10.769 4.247 -4.805 1.00 . A A . 32 ALA HB2 1 1 15 7329 1 1 33 ALA HB3 H 12.397 4.901 -4.983 1.00 . A A . 32 ALA HB3 1 1 15 7330 1 1 33 ALA N N 11.332 2.333 -3.092 1.00 . A A . 32 ALA N 1 1 15 7331 1 1 33 ALA O O 14.690 3.148 -3.710 1.00 . A A . 32 ALA O 1 1 15 7332 1 1 34 ASP C C 15.353 2.483 -0.677 1.00 . A A . 33 ASP C 1 1 15 7333 1 1 34 ASP CA C 14.670 3.805 -1.018 1.00 . A A . 33 ASP CA 1 1 15 7334 1 1 34 ASP CB C 14.274 4.542 0.265 1.00 . A A . 33 ASP CB 1 1 15 7335 1 1 34 ASP CG C 15.471 4.910 1.121 1.00 . A A . 33 ASP CG 1 1 15 7336 1 1 34 ASP H H 12.599 3.684 -1.469 1.00 . A A . 33 ASP H 1 1 15 7337 1 1 34 ASP HA H 15.362 4.417 -1.575 1.00 . A A . 33 ASP HA 1 1 15 7338 1 1 34 ASP HB2 H 13.753 5.449 0.005 1.00 . A A . 33 ASP HB2 1 1 15 7339 1 1 34 ASP HB3 H 13.620 3.910 0.848 1.00 . A A . 33 ASP HB3 1 1 15 7340 1 1 34 ASP N N 13.495 3.585 -1.859 1.00 . A A . 33 ASP N 1 1 15 7341 1 1 34 ASP O O 16.553 2.437 -0.418 1.00 . A A . 33 ASP O 1 1 15 7342 1 1 34 ASP OD1 O 16.195 5.865 0.765 1.00 . A A . 33 ASP OD1 1 1 15 7343 1 1 34 ASP OD2 O 15.694 4.246 2.154 1.00 . A A . 33 ASP OD2 1 1 15 7344 1 1 35 4PH C33 C 15.361 -6.050 1.681 1.00 . A A . 34 4PH C33 1 1 15 7345 1 1 35 4PH H33 H 15.309 -6.085 2.758 1.00 . A A . 34 4PH H33 1 1 15 7346 1 1 35 4PH H33A H 14.679 -6.773 1.258 1.00 . A A . 34 4PH H33A 1 1 15 7347 1 1 35 4PH H33B H 16.372 -6.275 1.369 1.00 . A A . 34 4PH H33B 1 1 15 7348 1 1 36 NH2 HN1 H 14.883 0.678 -2.824 1.00 . A A . 35 NH2 HN1 1 1 15 7349 1 1 36 NH2 HN2 H 16.117 -0.303 -3.533 1.00 . A A . 35 NH2 HN2 1 1 15 7350 1 1 36 NH2 N N 15.605 0.018 -2.761 1.00 . A A . 35 NH2 N 1 1 16 7351 1 1 1 ACE C C 13.133 -2.571 5.803 1.00 . A A . 0 ACE C 1 1 16 7352 1 1 1 ACE CH3 C 13.928 -1.653 4.919 1.00 . A A . 0 ACE CH3 1 1 16 7353 1 1 1 ACE H1 H 13.534 -1.716 3.912 1.00 . A A . 0 ACE H1 1 1 16 7354 1 1 1 ACE H2 H 14.956 -1.960 4.921 1.00 . A A . 0 ACE H2 1 1 16 7355 1 1 1 ACE H3 H 13.851 -0.643 5.308 1.00 . A A . 0 ACE H3 1 1 16 7356 1 1 1 ACE O O 12.512 -2.132 6.772 1.00 . A A . 0 ACE O 1 1 16 7357 1 1 2 PRO C C 10.880 -4.064 4.439 1.00 . A A . 1 PRO C 1 1 16 7358 1 1 2 PRO CA C 12.367 -4.388 4.328 1.00 . A A . 1 PRO CA 1 1 16 7359 1 1 2 PRO CB C 12.595 -5.903 4.401 1.00 . A A . 1 PRO CB 1 1 16 7360 1 1 2 PRO CD C 13.841 -4.929 6.192 1.00 . A A . 1 PRO CD 1 1 16 7361 1 1 2 PRO CG C 13.824 -6.077 5.220 1.00 . A A . 1 PRO CG 1 1 16 7362 1 1 2 PRO HA H 12.753 -4.002 3.397 1.00 . A A . 1 PRO HA 1 1 16 7363 1 1 2 PRO HB2 H 11.745 -6.381 4.874 1.00 . A A . 1 PRO HB2 1 1 16 7364 1 1 2 PRO HB3 H 12.749 -6.305 3.412 1.00 . A A . 1 PRO HB3 1 1 16 7365 1 1 2 PRO HD2 H 13.329 -5.193 7.107 1.00 . A A . 1 PRO HD2 1 1 16 7366 1 1 2 PRO HD3 H 14.857 -4.625 6.399 1.00 . A A . 1 PRO HD3 1 1 16 7367 1 1 2 PRO HG2 H 13.781 -7.022 5.747 1.00 . A A . 1 PRO HG2 1 1 16 7368 1 1 2 PRO HG3 H 14.699 -6.037 4.587 1.00 . A A . 1 PRO HG3 1 1 16 7369 1 1 2 PRO N N 13.116 -3.870 5.477 1.00 . A A . 1 PRO N 1 1 16 7370 1 1 2 PRO O O 10.203 -4.536 5.354 1.00 . A A . 1 PRO O 1 1 16 7371 1 1 3 PRO C C 8.012 -3.960 3.155 1.00 . A A . 2 PRO C 1 1 16 7372 1 1 3 PRO CA C 8.954 -2.828 3.557 1.00 . A A . 2 PRO CA 1 1 16 7373 1 1 3 PRO CB C 8.889 -1.687 2.539 1.00 . A A . 2 PRO CB 1 1 16 7374 1 1 3 PRO CD C 11.087 -2.645 2.384 1.00 . A A . 2 PRO CD 1 1 16 7375 1 1 3 PRO CG C 10.018 -1.928 1.600 1.00 . A A . 2 PRO CG 1 1 16 7376 1 1 3 PRO HA H 8.678 -2.462 4.538 1.00 . A A . 2 PRO HA 1 1 16 7377 1 1 3 PRO HB2 H 7.942 -1.715 2.016 1.00 . A A . 2 PRO HB2 1 1 16 7378 1 1 3 PRO HB3 H 9.017 -0.734 3.032 1.00 . A A . 2 PRO HB3 1 1 16 7379 1 1 3 PRO HD2 H 11.544 -3.414 1.778 1.00 . A A . 2 PRO HD2 1 1 16 7380 1 1 3 PRO HD3 H 11.834 -1.946 2.732 1.00 . A A . 2 PRO HD3 1 1 16 7381 1 1 3 PRO HG2 H 9.679 -2.542 0.775 1.00 . A A . 2 PRO HG2 1 1 16 7382 1 1 3 PRO HG3 H 10.396 -0.986 1.236 1.00 . A A . 2 PRO HG3 1 1 16 7383 1 1 3 PRO N N 10.356 -3.239 3.522 1.00 . A A . 2 PRO N 1 1 16 7384 1 1 3 PRO O O 8.273 -4.687 2.191 1.00 . A A . 2 PRO O 1 1 16 7385 1 1 4 THR C C 4.809 -4.547 2.757 1.00 . A A . 3 THR C 1 1 16 7386 1 1 4 THR CA C 5.935 -5.127 3.604 1.00 . A A . 3 THR CA 1 1 16 7387 1 1 4 THR CB C 5.363 -5.733 4.901 1.00 . A A . 3 THR CB 1 1 16 7388 1 1 4 THR CG2 C 6.297 -6.794 5.465 1.00 . A A . 3 THR CG2 1 1 16 7389 1 1 4 THR H H 6.782 -3.518 4.664 1.00 . A A . 3 THR H 1 1 16 7390 1 1 4 THR HA H 6.421 -5.915 3.048 1.00 . A A . 3 THR HA 1 1 16 7391 1 1 4 THR HB H 4.415 -6.198 4.673 1.00 . A A . 3 THR HB 1 1 16 7392 1 1 4 THR HG1 H 4.207 -4.499 5.925 1.00 . A A . 3 THR HG1 1 1 16 7393 1 1 4 THR HG21 H 6.440 -7.572 4.731 1.00 . A A . 3 THR HG21 1 1 16 7394 1 1 4 THR HG22 H 5.862 -7.217 6.357 1.00 . A A . 3 THR HG22 1 1 16 7395 1 1 4 THR HG23 H 7.250 -6.346 5.706 1.00 . A A . 3 THR HG23 1 1 16 7396 1 1 4 THR N N 6.927 -4.113 3.898 1.00 . A A . 3 THR N 1 1 16 7397 1 1 4 THR O O 4.246 -3.499 3.085 1.00 . A A . 3 THR O 1 1 16 7398 1 1 4 THR OG1 O 5.151 -4.699 5.875 1.00 . A A . 3 THR OG1 1 1 16 7399 1 1 5 LYS C C 2.083 -5.052 1.337 1.00 . A A . 4 LYS C 1 1 16 7400 1 1 5 LYS CA C 3.460 -4.764 0.748 1.00 . A A . 4 LYS CA 1 1 16 7401 1 1 5 LYS CB C 3.596 -5.444 -0.623 1.00 . A A . 4 LYS CB 1 1 16 7402 1 1 5 LYS CD C 3.426 -7.549 -1.986 1.00 . A A . 4 LYS CD 1 1 16 7403 1 1 5 LYS CE C 3.064 -9.025 -1.972 1.00 . A A . 4 LYS CE 1 1 16 7404 1 1 5 LYS CG C 3.221 -6.915 -0.621 1.00 . A A . 4 LYS CG 1 1 16 7405 1 1 5 LYS H H 5.006 -6.032 1.442 1.00 . A A . 4 LYS H 1 1 16 7406 1 1 5 LYS HA H 3.565 -3.697 0.626 1.00 . A A . 4 LYS HA 1 1 16 7407 1 1 5 LYS HB2 H 2.959 -4.935 -1.332 1.00 . A A . 4 LYS HB2 1 1 16 7408 1 1 5 LYS HB3 H 4.622 -5.361 -0.953 1.00 . A A . 4 LYS HB3 1 1 16 7409 1 1 5 LYS HD2 H 2.803 -7.043 -2.708 1.00 . A A . 4 LYS HD2 1 1 16 7410 1 1 5 LYS HD3 H 4.462 -7.444 -2.268 1.00 . A A . 4 LYS HD3 1 1 16 7411 1 1 5 LYS HE2 H 3.629 -9.514 -1.193 1.00 . A A . 4 LYS HE2 1 1 16 7412 1 1 5 LYS HE3 H 2.009 -9.124 -1.766 1.00 . A A . 4 LYS HE3 1 1 16 7413 1 1 5 LYS HG2 H 3.837 -7.430 0.098 1.00 . A A . 4 LYS HG2 1 1 16 7414 1 1 5 LYS HG3 H 2.180 -7.008 -0.341 1.00 . A A . 4 LYS HG3 1 1 16 7415 1 1 5 LYS HZ1 H 2.811 -9.237 -4.031 1.00 . A A . 4 LYS HZ1 1 1 16 7416 1 1 5 LYS HZ2 H 3.129 -10.691 -3.224 1.00 . A A . 4 LYS HZ2 1 1 16 7417 1 1 5 LYS HZ3 H 4.378 -9.581 -3.492 1.00 . A A . 4 LYS HZ3 1 1 16 7418 1 1 5 LYS N N 4.508 -5.215 1.654 1.00 . A A . 4 LYS N 1 1 16 7419 1 1 5 LYS NZ N 3.366 -9.678 -3.270 1.00 . A A . 4 LYS NZ 1 1 16 7420 1 1 5 LYS O O 1.896 -6.032 2.063 1.00 . A A . 4 LYS O 1 1 16 7421 1 1 6 PRO C C -1.025 -5.308 0.505 1.00 . A A . 5 PRO C 1 1 16 7422 1 1 6 PRO CA C -0.273 -4.392 1.467 1.00 . A A . 5 PRO CA 1 1 16 7423 1 1 6 PRO CB C -0.837 -2.979 1.434 1.00 . A A . 5 PRO CB 1 1 16 7424 1 1 6 PRO CD C 1.275 -2.920 0.301 1.00 . A A . 5 PRO CD 1 1 16 7425 1 1 6 PRO CG C -0.102 -2.305 0.328 1.00 . A A . 5 PRO CG 1 1 16 7426 1 1 6 PRO HA H -0.333 -4.790 2.469 1.00 . A A . 5 PRO HA 1 1 16 7427 1 1 6 PRO HB2 H -1.899 -3.011 1.243 1.00 . A A . 5 PRO HB2 1 1 16 7428 1 1 6 PRO HB3 H -0.639 -2.478 2.366 1.00 . A A . 5 PRO HB3 1 1 16 7429 1 1 6 PRO HD2 H 1.580 -3.110 -0.717 1.00 . A A . 5 PRO HD2 1 1 16 7430 1 1 6 PRO HD3 H 1.987 -2.274 0.796 1.00 . A A . 5 PRO HD3 1 1 16 7431 1 1 6 PRO HG2 H -0.612 -2.482 -0.611 1.00 . A A . 5 PRO HG2 1 1 16 7432 1 1 6 PRO HG3 H -0.032 -1.247 0.524 1.00 . A A . 5 PRO HG3 1 1 16 7433 1 1 6 PRO N N 1.108 -4.186 1.047 1.00 . A A . 5 PRO N 1 1 16 7434 1 1 6 PRO O O -0.629 -5.471 -0.654 1.00 . A A . 5 PRO O 1 1 16 7435 1 1 7 THR C C -3.940 -6.063 -0.619 1.00 . A A . 6 THR C 1 1 16 7436 1 1 7 THR CA C -2.879 -6.825 0.173 1.00 . A A . 6 THR CA 1 1 16 7437 1 1 7 THR CB C -3.543 -7.929 1.031 1.00 . A A . 6 THR CB 1 1 16 7438 1 1 7 THR CG2 C -4.623 -7.355 1.931 1.00 . A A . 6 THR CG2 1 1 16 7439 1 1 7 THR H H -2.369 -5.741 1.912 1.00 . A A . 6 THR H 1 1 16 7440 1 1 7 THR HA H -2.208 -7.301 -0.525 1.00 . A A . 6 THR HA 1 1 16 7441 1 1 7 THR HB H -2.783 -8.380 1.652 1.00 . A A . 6 THR HB 1 1 16 7442 1 1 7 THR HG1 H -4.030 -9.801 0.622 1.00 . A A . 6 THR HG1 1 1 16 7443 1 1 7 THR HG21 H -5.067 -8.149 2.510 1.00 . A A . 6 THR HG21 1 1 16 7444 1 1 7 THR HG22 H -5.380 -6.883 1.324 1.00 . A A . 6 THR HG22 1 1 16 7445 1 1 7 THR HG23 H -4.186 -6.624 2.594 1.00 . A A . 6 THR HG23 1 1 16 7446 1 1 7 THR N N -2.097 -5.913 0.987 1.00 . A A . 6 THR N 1 1 16 7447 1 1 7 THR O O -4.495 -5.067 -0.144 1.00 . A A . 6 THR O 1 1 16 7448 1 1 7 THR OG1 O -4.116 -8.939 0.191 1.00 . A A . 6 THR OG1 1 1 16 7449 1 1 8 LYS C C -6.572 -5.980 -2.088 1.00 . A A . 7 LYS C 1 1 16 7450 1 1 8 LYS CA C -5.181 -5.919 -2.716 1.00 . A A . 7 LYS CA 1 1 16 7451 1 1 8 LYS CB C -5.206 -6.645 -4.067 1.00 . A A . 7 LYS CB 1 1 16 7452 1 1 8 LYS CD C -3.317 -5.368 -5.181 1.00 . A A . 7 LYS CD 1 1 16 7453 1 1 8 LYS CE C -4.243 -4.658 -6.162 1.00 . A A . 7 LYS CE 1 1 16 7454 1 1 8 LYS CG C -3.850 -6.733 -4.762 1.00 . A A . 7 LYS CG 1 1 16 7455 1 1 8 LYS H H -3.699 -7.316 -2.148 1.00 . A A . 7 LYS H 1 1 16 7456 1 1 8 LYS HA H -4.905 -4.887 -2.870 1.00 . A A . 7 LYS HA 1 1 16 7457 1 1 8 LYS HB2 H -5.566 -7.650 -3.911 1.00 . A A . 7 LYS HB2 1 1 16 7458 1 1 8 LYS HB3 H -5.888 -6.129 -4.724 1.00 . A A . 7 LYS HB3 1 1 16 7459 1 1 8 LYS HD2 H -3.204 -4.753 -4.302 1.00 . A A . 7 LYS HD2 1 1 16 7460 1 1 8 LYS HD3 H -2.351 -5.505 -5.649 1.00 . A A . 7 LYS HD3 1 1 16 7461 1 1 8 LYS HE2 H -5.212 -4.542 -5.703 1.00 . A A . 7 LYS HE2 1 1 16 7462 1 1 8 LYS HE3 H -3.833 -3.684 -6.378 1.00 . A A . 7 LYS HE3 1 1 16 7463 1 1 8 LYS HG2 H -3.144 -7.187 -4.084 1.00 . A A . 7 LYS HG2 1 1 16 7464 1 1 8 LYS HG3 H -3.950 -7.354 -5.641 1.00 . A A . 7 LYS HG3 1 1 16 7465 1 1 8 LYS HZ1 H -3.479 -5.517 -7.907 1.00 . A A . 7 LYS HZ1 1 1 16 7466 1 1 8 LYS HZ2 H -5.042 -4.893 -8.078 1.00 . A A . 7 LYS HZ2 1 1 16 7467 1 1 8 LYS HZ3 H -4.800 -6.350 -7.256 1.00 . A A . 7 LYS HZ3 1 1 16 7468 1 1 8 LYS N N -4.193 -6.529 -1.835 1.00 . A A . 7 LYS N 1 1 16 7469 1 1 8 LYS NZ N -4.402 -5.408 -7.437 1.00 . A A . 7 LYS NZ 1 1 16 7470 1 1 8 LYS O O -7.098 -7.067 -1.841 1.00 . A A . 7 LYS O 1 1 16 7471 1 1 9 PRO C C -9.569 -5.240 -2.274 1.00 . A A . 8 PRO C 1 1 16 7472 1 1 9 PRO CA C -8.539 -4.760 -1.264 1.00 . A A . 8 PRO CA 1 1 16 7473 1 1 9 PRO CB C -8.755 -3.271 -0.959 1.00 . A A . 8 PRO CB 1 1 16 7474 1 1 9 PRO CD C -6.593 -3.481 -1.954 1.00 . A A . 8 PRO CD 1 1 16 7475 1 1 9 PRO CG C -7.403 -2.648 -1.000 1.00 . A A . 8 PRO CG 1 1 16 7476 1 1 9 PRO HA H -8.634 -5.336 -0.355 1.00 . A A . 8 PRO HA 1 1 16 7477 1 1 9 PRO HB2 H -9.403 -2.837 -1.714 1.00 . A A . 8 PRO HB2 1 1 16 7478 1 1 9 PRO HB3 H -9.193 -3.155 0.022 1.00 . A A . 8 PRO HB3 1 1 16 7479 1 1 9 PRO HD2 H -6.710 -3.123 -2.968 1.00 . A A . 8 PRO HD2 1 1 16 7480 1 1 9 PRO HD3 H -5.550 -3.479 -1.667 1.00 . A A . 8 PRO HD3 1 1 16 7481 1 1 9 PRO HG2 H -7.482 -1.631 -1.358 1.00 . A A . 8 PRO HG2 1 1 16 7482 1 1 9 PRO HG3 H -6.953 -2.668 -0.019 1.00 . A A . 8 PRO HG3 1 1 16 7483 1 1 9 PRO N N -7.180 -4.821 -1.799 1.00 . A A . 8 PRO N 1 1 16 7484 1 1 9 PRO O O -9.766 -4.614 -3.317 1.00 . A A . 8 PRO O 1 1 16 7485 1 1 10 GLY C C -12.618 -6.550 -2.255 1.00 . A A . 9 GLY C 1 1 16 7486 1 1 10 GLY CA C -11.255 -6.868 -2.826 1.00 . A A . 9 GLY CA 1 1 16 7487 1 1 10 GLY H H -9.944 -6.857 -1.169 1.00 . A A . 9 GLY H 1 1 16 7488 1 1 10 GLY HA2 H -11.167 -6.416 -3.802 1.00 . A A . 9 GLY HA2 1 1 16 7489 1 1 10 GLY HA3 H -11.155 -7.940 -2.921 1.00 . A A . 9 GLY HA3 1 1 16 7490 1 1 10 GLY N N -10.198 -6.363 -1.977 1.00 . A A . 9 GLY N 1 1 16 7491 1 1 10 GLY O O -13.365 -5.744 -2.808 1.00 . A A . 9 GLY O 1 1 16 7492 1 1 11 ASP C C -14.146 -5.678 0.401 1.00 . A A . 10 ASP C 1 1 16 7493 1 1 11 ASP CA C -14.196 -6.948 -0.446 1.00 . A A . 10 ASP CA 1 1 16 7494 1 1 11 ASP CB C -14.546 -8.158 0.425 1.00 . A A . 10 ASP CB 1 1 16 7495 1 1 11 ASP CG C -15.803 -7.950 1.248 1.00 . A A . 10 ASP CG 1 1 16 7496 1 1 11 ASP H H -12.268 -7.783 -0.729 1.00 . A A . 10 ASP H 1 1 16 7497 1 1 11 ASP HA H -14.955 -6.829 -1.204 1.00 . A A . 10 ASP HA 1 1 16 7498 1 1 11 ASP HB2 H -14.698 -9.016 -0.211 1.00 . A A . 10 ASP HB2 1 1 16 7499 1 1 11 ASP HB3 H -13.727 -8.356 1.098 1.00 . A A . 10 ASP HB3 1 1 16 7500 1 1 11 ASP N N -12.921 -7.164 -1.122 1.00 . A A . 10 ASP N 1 1 16 7501 1 1 11 ASP O O -15.123 -4.941 0.498 1.00 . A A . 10 ASP O 1 1 16 7502 1 1 11 ASP OD1 O -16.912 -8.184 0.715 1.00 . A A . 10 ASP OD1 1 1 16 7503 1 1 11 ASP OD2 O -15.691 -7.570 2.432 1.00 . A A . 10 ASP OD2 1 1 16 7504 1 1 12 ASN C C -12.427 -3.010 1.005 1.00 . A A . 11 ASN C 1 1 16 7505 1 1 12 ASN CA C -12.785 -4.245 1.837 1.00 . A A . 11 ASN CA 1 1 16 7506 1 1 12 ASN CB C -11.693 -4.523 2.878 1.00 . A A . 11 ASN CB 1 1 16 7507 1 1 12 ASN CG C -10.318 -4.711 2.261 1.00 . A A . 11 ASN CG 1 1 16 7508 1 1 12 ASN H H -12.237 -6.035 0.845 1.00 . A A . 11 ASN H 1 1 16 7509 1 1 12 ASN HA H -13.715 -4.054 2.349 1.00 . A A . 11 ASN HA 1 1 16 7510 1 1 12 ASN HB2 H -11.644 -3.692 3.567 1.00 . A A . 11 ASN HB2 1 1 16 7511 1 1 12 ASN HB3 H -11.947 -5.419 3.425 1.00 . A A . 11 ASN HB3 1 1 16 7512 1 1 12 ASN HD21 H -9.854 -2.817 2.635 1.00 . A A . 11 ASN HD21 1 1 16 7513 1 1 12 ASN HD22 H -8.622 -3.756 1.875 1.00 . A A . 11 ASN HD22 1 1 16 7514 1 1 12 ASN N N -12.985 -5.416 0.982 1.00 . A A . 11 ASN N 1 1 16 7515 1 1 12 ASN ND2 N -9.519 -3.654 2.252 1.00 . A A . 11 ASN ND2 1 1 16 7516 1 1 12 ASN O O -12.027 -1.981 1.543 1.00 . A A . 11 ASN O 1 1 16 7517 1 1 12 ASN OD1 O -9.969 -5.806 1.815 1.00 . A A . 11 ASN OD1 1 1 16 7518 1 1 13 ALA C C -13.151 -0.900 -1.280 1.00 . A A . 12 ALA C 1 1 16 7519 1 1 13 ALA CA C -12.185 -2.087 -1.260 1.00 . A A . 12 ALA CA 1 1 16 7520 1 1 13 ALA CB C -12.078 -2.681 -2.649 1.00 . A A . 12 ALA CB 1 1 16 7521 1 1 13 ALA H H -12.974 -3.953 -0.661 1.00 . A A . 12 ALA H 1 1 16 7522 1 1 13 ALA HA H -11.208 -1.735 -0.976 1.00 . A A . 12 ALA HA 1 1 16 7523 1 1 13 ALA HB1 H -11.359 -3.487 -2.641 1.00 . A A . 12 ALA HB1 1 1 16 7524 1 1 13 ALA HB2 H -11.757 -1.917 -3.343 1.00 . A A . 12 ALA HB2 1 1 16 7525 1 1 13 ALA HB3 H -13.042 -3.061 -2.951 1.00 . A A . 12 ALA HB3 1 1 16 7526 1 1 13 ALA N N -12.576 -3.131 -0.311 1.00 . A A . 12 ALA N 1 1 16 7527 1 1 13 ALA O O -13.257 -0.201 -2.290 1.00 . A A . 12 ALA O 1 1 16 7528 1 1 14 THR C C -14.063 1.767 -0.299 1.00 . A A . 13 THR C 1 1 16 7529 1 1 14 THR CA C -14.778 0.431 -0.066 1.00 . A A . 13 THR CA 1 1 16 7530 1 1 14 THR CB C -15.465 0.420 1.311 1.00 . A A . 13 THR CB 1 1 16 7531 1 1 14 THR CG2 C -16.535 -0.660 1.367 1.00 . A A . 13 THR CG2 1 1 16 7532 1 1 14 THR H H -13.697 -1.254 0.601 1.00 . A A . 13 THR H 1 1 16 7533 1 1 14 THR HA H -15.537 0.303 -0.822 1.00 . A A . 13 THR HA 1 1 16 7534 1 1 14 THR HB H -15.934 1.379 1.471 1.00 . A A . 13 THR HB 1 1 16 7535 1 1 14 THR HG1 H -14.007 1.007 2.508 1.00 . A A . 13 THR HG1 1 1 16 7536 1 1 14 THR HG21 H -17.276 -0.469 0.606 1.00 . A A . 13 THR HG21 1 1 16 7537 1 1 14 THR HG22 H -17.006 -0.651 2.337 1.00 . A A . 13 THR HG22 1 1 16 7538 1 1 14 THR HG23 H -16.083 -1.625 1.194 1.00 . A A . 13 THR HG23 1 1 16 7539 1 1 14 THR N N -13.842 -0.676 -0.175 1.00 . A A . 13 THR N 1 1 16 7540 1 1 14 THR O O -12.993 1.996 0.259 1.00 . A A . 13 THR O 1 1 16 7541 1 1 14 THR OG1 O -14.493 0.189 2.340 1.00 . A A . 13 THR OG1 1 1 16 7542 1 1 15 PRO C C -13.072 4.581 -0.684 1.00 . A A . 14 PRO C 1 1 16 7543 1 1 15 PRO CA C -14.047 3.884 -1.638 1.00 . A A . 14 PRO CA 1 1 16 7544 1 1 15 PRO CB C -15.262 4.770 -1.897 1.00 . A A . 14 PRO CB 1 1 16 7545 1 1 15 PRO CD C -16.036 2.492 -1.648 1.00 . A A . 14 PRO CD 1 1 16 7546 1 1 15 PRO CG C -16.353 3.831 -2.283 1.00 . A A . 14 PRO CG 1 1 16 7547 1 1 15 PRO HA H -13.541 3.701 -2.574 1.00 . A A . 14 PRO HA 1 1 16 7548 1 1 15 PRO HB2 H -15.517 5.314 -0.995 1.00 . A A . 14 PRO HB2 1 1 16 7549 1 1 15 PRO HB3 H -15.061 5.457 -2.705 1.00 . A A . 14 PRO HB3 1 1 16 7550 1 1 15 PRO HD2 H -16.725 2.283 -0.844 1.00 . A A . 14 PRO HD2 1 1 16 7551 1 1 15 PRO HD3 H -16.075 1.707 -2.387 1.00 . A A . 14 PRO HD3 1 1 16 7552 1 1 15 PRO HG2 H -17.298 4.209 -1.911 1.00 . A A . 14 PRO HG2 1 1 16 7553 1 1 15 PRO HG3 H -16.387 3.732 -3.359 1.00 . A A . 14 PRO HG3 1 1 16 7554 1 1 15 PRO N N -14.664 2.647 -1.127 1.00 . A A . 14 PRO N 1 1 16 7555 1 1 15 PRO O O -11.895 4.732 -1.003 1.00 . A A . 14 PRO O 1 1 16 7556 1 1 16 GLU C C -11.529 4.953 1.895 1.00 . A A . 15 GLU C 1 1 16 7557 1 1 16 GLU CA C -12.725 5.767 1.412 1.00 . A A . 15 GLU CA 1 1 16 7558 1 1 16 GLU CB C -13.549 6.246 2.607 1.00 . A A . 15 GLU CB 1 1 16 7559 1 1 16 GLU CD C -15.279 7.855 3.471 1.00 . A A . 15 GLU CD 1 1 16 7560 1 1 16 GLU CG C -14.617 7.262 2.248 1.00 . A A . 15 GLU CG 1 1 16 7561 1 1 16 GLU H H -14.479 4.781 0.725 1.00 . A A . 15 GLU H 1 1 16 7562 1 1 16 GLU HA H -12.357 6.629 0.878 1.00 . A A . 15 GLU HA 1 1 16 7563 1 1 16 GLU HB2 H -14.035 5.396 3.059 1.00 . A A . 15 GLU HB2 1 1 16 7564 1 1 16 GLU HB3 H -12.884 6.694 3.330 1.00 . A A . 15 GLU HB3 1 1 16 7565 1 1 16 GLU HG2 H -14.165 8.060 1.680 1.00 . A A . 15 GLU HG2 1 1 16 7566 1 1 16 GLU HG3 H -15.369 6.774 1.650 1.00 . A A . 15 GLU HG3 1 1 16 7567 1 1 16 GLU N N -13.554 4.999 0.482 1.00 . A A . 15 GLU N 1 1 16 7568 1 1 16 GLU O O -10.411 5.463 1.984 1.00 . A A . 15 GLU O 1 1 16 7569 1 1 16 GLU OE1 O -16.350 7.356 3.878 1.00 . A A . 15 GLU OE1 1 1 16 7570 1 1 16 GLU OE2 O -14.731 8.823 4.035 1.00 . A A . 15 GLU OE2 1 1 16 7571 1 1 17 LYS C C -9.776 2.453 1.496 1.00 . A A . 16 LYS C 1 1 16 7572 1 1 17 LYS CA C -10.716 2.797 2.649 1.00 . A A . 16 LYS CA 1 1 16 7573 1 1 17 LYS CB C -11.335 1.530 3.249 1.00 . A A . 16 LYS CB 1 1 16 7574 1 1 17 LYS CD C -11.024 -0.605 4.539 1.00 . A A . 16 LYS CD 1 1 16 7575 1 1 17 LYS CE C -11.961 -0.163 5.656 1.00 . A A . 16 LYS CE 1 1 16 7576 1 1 17 LYS CG C -10.331 0.581 3.882 1.00 . A A . 16 LYS CG 1 1 16 7577 1 1 17 LYS H H -12.673 3.335 2.064 1.00 . A A . 16 LYS H 1 1 16 7578 1 1 17 LYS HA H -10.158 3.316 3.412 1.00 . A A . 16 LYS HA 1 1 16 7579 1 1 17 LYS HB2 H -12.044 1.823 4.011 1.00 . A A . 16 LYS HB2 1 1 16 7580 1 1 17 LYS HB3 H -11.860 0.995 2.468 1.00 . A A . 16 LYS HB3 1 1 16 7581 1 1 17 LYS HD2 H -11.596 -1.133 3.791 1.00 . A A . 16 LYS HD2 1 1 16 7582 1 1 17 LYS HD3 H -10.274 -1.264 4.951 1.00 . A A . 16 LYS HD3 1 1 16 7583 1 1 17 LYS HE2 H -11.386 0.361 6.404 1.00 . A A . 16 LYS HE2 1 1 16 7584 1 1 17 LYS HE3 H -12.703 0.503 5.243 1.00 . A A . 16 LYS HE3 1 1 16 7585 1 1 17 LYS HG2 H -9.661 0.217 3.117 1.00 . A A . 16 LYS HG2 1 1 16 7586 1 1 17 LYS HG3 H -9.766 1.116 4.632 1.00 . A A . 16 LYS HG3 1 1 16 7587 1 1 17 LYS HZ1 H -13.210 -1.832 5.592 1.00 . A A . 16 LYS HZ1 1 1 16 7588 1 1 17 LYS HZ2 H -13.285 -0.978 7.046 1.00 . A A . 16 LYS HZ2 1 1 16 7589 1 1 17 LYS HZ3 H -11.952 -1.962 6.714 1.00 . A A . 16 LYS HZ3 1 1 16 7590 1 1 17 LYS N N -11.767 3.686 2.181 1.00 . A A . 16 LYS N 1 1 16 7591 1 1 17 LYS NZ N -12.649 -1.313 6.296 1.00 . A A . 16 LYS NZ 1 1 16 7592 1 1 17 LYS O O -8.577 2.254 1.688 1.00 . A A . 16 LYS O 1 1 16 7593 1 1 18 LEU C C -8.632 3.353 -1.182 1.00 . A A . 17 LEU C 1 1 16 7594 1 1 18 LEU CA C -9.562 2.174 -0.919 1.00 . A A . 17 LEU CA 1 1 16 7595 1 1 18 LEU CB C -10.512 1.965 -2.102 1.00 . A A . 17 LEU CB 1 1 16 7596 1 1 18 LEU CD1 C -9.050 0.336 -3.320 1.00 . A A . 17 LEU CD1 1 1 16 7597 1 1 18 LEU CD2 C -10.913 1.482 -4.513 1.00 . A A . 17 LEU CD2 1 1 16 7598 1 1 18 LEU CG C -9.853 1.620 -3.436 1.00 . A A . 17 LEU CG 1 1 16 7599 1 1 18 LEU H H -11.304 2.547 0.216 1.00 . A A . 17 LEU H 1 1 16 7600 1 1 18 LEU HA H -8.975 1.283 -0.773 1.00 . A A . 17 LEU HA 1 1 16 7601 1 1 18 LEU HB2 H -11.194 1.166 -1.851 1.00 . A A . 17 LEU HB2 1 1 16 7602 1 1 18 LEU HB3 H -11.083 2.871 -2.237 1.00 . A A . 17 LEU HB3 1 1 16 7603 1 1 18 LEU HD11 H -8.270 0.468 -2.589 1.00 . A A . 17 LEU HD11 1 1 16 7604 1 1 18 LEU HD12 H -8.611 0.099 -4.277 1.00 . A A . 17 LEU HD12 1 1 16 7605 1 1 18 LEU HD13 H -9.700 -0.466 -3.012 1.00 . A A . 17 LEU HD13 1 1 16 7606 1 1 18 LEU HD21 H -11.440 2.419 -4.621 1.00 . A A . 17 LEU HD21 1 1 16 7607 1 1 18 LEU HD22 H -11.611 0.708 -4.227 1.00 . A A . 17 LEU HD22 1 1 16 7608 1 1 18 LEU HD23 H -10.445 1.219 -5.448 1.00 . A A . 17 LEU HD23 1 1 16 7609 1 1 18 LEU HG H -9.182 2.415 -3.721 1.00 . A A . 17 LEU HG 1 1 16 7610 1 1 18 LEU N N -10.334 2.413 0.291 1.00 . A A . 17 LEU N 1 1 16 7611 1 1 18 LEU O O -7.491 3.182 -1.615 1.00 . A A . 17 LEU O 1 1 16 7612 1 1 19 ALA C C -7.253 5.802 0.031 1.00 . A A . 18 ALA C 1 1 16 7613 1 1 19 ALA CA C -8.347 5.765 -1.026 1.00 . A A . 18 ALA CA 1 1 16 7614 1 1 19 ALA CB C -9.251 6.978 -0.905 1.00 . A A . 18 ALA CB 1 1 16 7615 1 1 19 ALA H H -10.063 4.613 -0.602 1.00 . A A . 18 ALA H 1 1 16 7616 1 1 19 ALA HA H -7.896 5.773 -2.005 1.00 . A A . 18 ALA HA 1 1 16 7617 1 1 19 ALA HB1 H -9.729 6.972 0.063 1.00 . A A . 18 ALA HB1 1 1 16 7618 1 1 19 ALA HB2 H -10.003 6.943 -1.678 1.00 . A A . 18 ALA HB2 1 1 16 7619 1 1 19 ALA HB3 H -8.664 7.878 -1.013 1.00 . A A . 18 ALA HB3 1 1 16 7620 1 1 19 ALA N N -9.130 4.548 -0.899 1.00 . A A . 18 ALA N 1 1 16 7621 1 1 19 ALA O O -6.118 6.201 -0.241 1.00 . A A . 18 ALA O 1 1 16 7622 1 1 20 LYS C C -5.561 4.237 1.983 1.00 . A A . 19 LYS C 1 1 16 7623 1 1 20 LYS CA C -6.634 5.274 2.328 1.00 . A A . 19 LYS CA 1 1 16 7624 1 1 20 LYS CB C -7.338 4.900 3.636 1.00 . A A . 19 LYS CB 1 1 16 7625 1 1 20 LYS CD C -7.166 4.558 6.119 1.00 . A A . 19 LYS CD 1 1 16 7626 1 1 20 LYS CE C -6.278 4.689 7.348 1.00 . A A . 19 LYS CE 1 1 16 7627 1 1 20 LYS CG C -6.435 4.974 4.855 1.00 . A A . 19 LYS CG 1 1 16 7628 1 1 20 LYS H H -8.539 5.135 1.411 1.00 . A A . 19 LYS H 1 1 16 7629 1 1 20 LYS HA H -6.164 6.238 2.441 1.00 . A A . 19 LYS HA 1 1 16 7630 1 1 20 LYS HB2 H -8.170 5.572 3.788 1.00 . A A . 19 LYS HB2 1 1 16 7631 1 1 20 LYS HB3 H -7.713 3.890 3.555 1.00 . A A . 19 LYS HB3 1 1 16 7632 1 1 20 LYS HD2 H -8.033 5.190 6.245 1.00 . A A . 19 LYS HD2 1 1 16 7633 1 1 20 LYS HD3 H -7.481 3.530 6.020 1.00 . A A . 19 LYS HD3 1 1 16 7634 1 1 20 LYS HE2 H -5.999 5.727 7.463 1.00 . A A . 19 LYS HE2 1 1 16 7635 1 1 20 LYS HE3 H -6.837 4.370 8.216 1.00 . A A . 19 LYS HE3 1 1 16 7636 1 1 20 LYS HG2 H -5.597 4.313 4.706 1.00 . A A . 19 LYS HG2 1 1 16 7637 1 1 20 LYS HG3 H -6.082 5.988 4.970 1.00 . A A . 19 LYS HG3 1 1 16 7638 1 1 20 LYS HZ1 H -4.419 4.251 6.499 1.00 . A A . 19 LYS HZ1 1 1 16 7639 1 1 20 LYS HZ2 H -5.277 2.886 7.001 1.00 . A A . 19 LYS HZ2 1 1 16 7640 1 1 20 LYS HZ3 H -4.523 3.876 8.144 1.00 . A A . 19 LYS HZ3 1 1 16 7641 1 1 20 LYS N N -7.600 5.374 1.241 1.00 . A A . 19 LYS N 1 1 16 7642 1 1 20 LYS NZ N -5.039 3.869 7.240 1.00 . A A . 19 LYS NZ 1 1 16 7643 1 1 20 LYS O O -4.390 4.394 2.330 1.00 . A A . 19 LYS O 1 1 16 7644 1 1 21 4PH C33 C -2.774 -2.724 -2.735 1.00 . A A . 20 4PH C33 1 1 16 7645 1 1 21 4PH H33 H -2.721 -3.644 -2.171 1.00 . A A . 20 4PH H33 1 1 16 7646 1 1 21 4PH H33A H -3.230 -2.907 -3.696 1.00 . A A . 20 4PH H33A 1 1 16 7647 1 1 21 4PH H33B H -1.773 -2.338 -2.874 1.00 . A A . 20 4PH H33B 1 1 16 7648 1 1 22 GLN C C -2.621 5.191 -1.244 1.00 . A A . 21 GLN C 1 1 16 7649 1 1 22 GLN CA C -3.632 4.321 -1.985 1.00 . A A . 21 GLN CA 1 1 16 7650 1 1 22 GLN CB C -4.440 5.159 -2.977 1.00 . A A . 21 GLN CB 1 1 16 7651 1 1 22 GLN CD C -4.808 3.217 -4.563 1.00 . A A . 21 GLN CD 1 1 16 7652 1 1 22 GLN CG C -5.447 4.340 -3.766 1.00 . A A . 21 GLN CG 1 1 16 7653 1 1 22 GLN H H -5.477 3.849 -1.056 1.00 . A A . 21 GLN H 1 1 16 7654 1 1 22 GLN HA H -3.099 3.560 -2.528 1.00 . A A . 21 GLN HA 1 1 16 7655 1 1 22 GLN HB2 H -4.974 5.926 -2.434 1.00 . A A . 21 GLN HB2 1 1 16 7656 1 1 22 GLN HB3 H -3.760 5.627 -3.674 1.00 . A A . 21 GLN HB3 1 1 16 7657 1 1 22 GLN HE21 H -6.411 2.080 -4.295 1.00 . A A . 21 GLN HE21 1 1 16 7658 1 1 22 GLN HE22 H -5.139 1.371 -5.218 1.00 . A A . 21 GLN HE22 1 1 16 7659 1 1 22 GLN HG2 H -6.155 3.906 -3.076 1.00 . A A . 21 GLN HG2 1 1 16 7660 1 1 22 GLN HG3 H -5.966 4.994 -4.449 1.00 . A A . 21 GLN HG3 1 1 16 7661 1 1 22 GLN N N -4.516 3.649 -1.041 1.00 . A A . 21 GLN N 1 1 16 7662 1 1 22 GLN NE2 N -5.524 2.112 -4.706 1.00 . A A . 21 GLN NE2 1 1 16 7663 1 1 22 GLN O O -1.502 5.405 -1.717 1.00 . A A . 21 GLN O 1 1 16 7664 1 1 22 GLN OE1 O -3.674 3.333 -5.031 1.00 . A A . 21 GLN OE1 1 1 16 7665 1 1 23 ALA C C -1.033 5.555 1.359 1.00 . A A . 22 ALA C 1 1 16 7666 1 1 23 ALA CA C -2.126 6.446 0.779 1.00 . A A . 22 ALA CA 1 1 16 7667 1 1 23 ALA CB C -2.917 7.116 1.891 1.00 . A A . 22 ALA CB 1 1 16 7668 1 1 23 ALA H H -3.933 5.505 0.230 1.00 . A A . 22 ALA H 1 1 16 7669 1 1 23 ALA HA H -1.671 7.216 0.176 1.00 . A A . 22 ALA HA 1 1 16 7670 1 1 23 ALA HB1 H -3.358 6.359 2.521 1.00 . A A . 22 ALA HB1 1 1 16 7671 1 1 23 ALA HB2 H -3.697 7.724 1.458 1.00 . A A . 22 ALA HB2 1 1 16 7672 1 1 23 ALA HB3 H -2.258 7.738 2.478 1.00 . A A . 22 ALA HB3 1 1 16 7673 1 1 23 ALA N N -3.015 5.673 -0.072 1.00 . A A . 22 ALA N 1 1 16 7674 1 1 23 ALA O O 0.129 5.955 1.449 1.00 . A A . 22 ALA O 1 1 16 7675 1 1 24 ASP C C 0.484 2.901 1.146 1.00 . A A . 23 ASP C 1 1 16 7676 1 1 24 ASP CA C -0.440 3.375 2.262 1.00 . A A . 23 ASP CA 1 1 16 7677 1 1 24 ASP CB C -1.139 2.177 2.920 1.00 . A A . 23 ASP CB 1 1 16 7678 1 1 24 ASP CG C -0.153 1.204 3.539 1.00 . A A . 23 ASP CG 1 1 16 7679 1 1 24 ASP H H -2.350 4.081 1.653 1.00 . A A . 23 ASP H 1 1 16 7680 1 1 24 ASP HA H 0.155 3.885 3.006 1.00 . A A . 23 ASP HA 1 1 16 7681 1 1 24 ASP HB2 H -1.798 2.531 3.699 1.00 . A A . 23 ASP HB2 1 1 16 7682 1 1 24 ASP HB3 H -1.719 1.650 2.177 1.00 . A A . 23 ASP HB3 1 1 16 7683 1 1 24 ASP N N -1.407 4.337 1.735 1.00 . A A . 23 ASP N 1 1 16 7684 1 1 24 ASP O O 1.676 2.671 1.370 1.00 . A A . 23 ASP O 1 1 16 7685 1 1 24 ASP OD1 O 0.513 1.575 4.531 1.00 . A A . 23 ASP OD1 1 1 16 7686 1 1 24 ASP OD2 O -0.046 0.060 3.050 1.00 . A A . 23 ASP OD2 1 1 16 7687 1 1 25 LEU C C 1.798 3.542 -1.458 1.00 . A A . 24 LEU C 1 1 16 7688 1 1 25 LEU CA C 0.749 2.467 -1.233 1.00 . A A . 24 LEU CA 1 1 16 7689 1 1 25 LEU CB C -0.100 2.319 -2.498 1.00 . A A . 24 LEU CB 1 1 16 7690 1 1 25 LEU CD1 C -1.516 0.934 -4.027 1.00 . A A . 24 LEU CD1 1 1 16 7691 1 1 25 LEU CD2 C 0.404 -0.120 -2.838 1.00 . A A . 24 LEU CD2 1 1 16 7692 1 1 25 LEU CG C -0.697 0.931 -2.747 1.00 . A A . 24 LEU CG 1 1 16 7693 1 1 25 LEU H H -1.034 2.877 -0.166 1.00 . A A . 24 LEU H 1 1 16 7694 1 1 25 LEU HA H 1.251 1.535 -1.039 1.00 . A A . 24 LEU HA 1 1 16 7695 1 1 25 LEU HB2 H -0.912 3.030 -2.441 1.00 . A A . 24 LEU HB2 1 1 16 7696 1 1 25 LEU HB3 H 0.518 2.574 -3.347 1.00 . A A . 24 LEU HB3 1 1 16 7697 1 1 25 LEU HD11 H -2.350 1.612 -3.922 1.00 . A A . 24 LEU HD11 1 1 16 7698 1 1 25 LEU HD12 H -1.885 -0.062 -4.223 1.00 . A A . 24 LEU HD12 1 1 16 7699 1 1 25 LEU HD13 H -0.895 1.255 -4.851 1.00 . A A . 24 LEU HD13 1 1 16 7700 1 1 25 LEU HD21 H -0.028 -1.069 -3.122 1.00 . A A . 24 LEU HD21 1 1 16 7701 1 1 25 LEU HD22 H 0.889 -0.220 -1.880 1.00 . A A . 24 LEU HD22 1 1 16 7702 1 1 25 LEU HD23 H 1.130 0.181 -3.579 1.00 . A A . 24 LEU HD23 1 1 16 7703 1 1 25 LEU HG H -1.350 0.669 -1.927 1.00 . A A . 24 LEU HG 1 1 16 7704 1 1 25 LEU N N -0.063 2.774 -0.063 1.00 . A A . 24 LEU N 1 1 16 7705 1 1 25 LEU O O 2.930 3.237 -1.802 1.00 . A A . 24 LEU O 1 1 16 7706 1 1 26 ALA C C 3.549 5.758 -0.489 1.00 . A A . 25 ALA C 1 1 16 7707 1 1 26 ALA CA C 2.347 5.911 -1.415 1.00 . A A . 25 ALA CA 1 1 16 7708 1 1 26 ALA CB C 1.639 7.231 -1.160 1.00 . A A . 25 ALA CB 1 1 16 7709 1 1 26 ALA H H 0.495 4.979 -0.972 1.00 . A A . 25 ALA H 1 1 16 7710 1 1 26 ALA HA H 2.693 5.905 -2.440 1.00 . A A . 25 ALA HA 1 1 16 7711 1 1 26 ALA HB1 H 2.316 8.046 -1.358 1.00 . A A . 25 ALA HB1 1 1 16 7712 1 1 26 ALA HB2 H 1.316 7.272 -0.130 1.00 . A A . 25 ALA HB2 1 1 16 7713 1 1 26 ALA HB3 H 0.780 7.310 -1.810 1.00 . A A . 25 ALA HB3 1 1 16 7714 1 1 26 ALA N N 1.420 4.796 -1.247 1.00 . A A . 25 ALA N 1 1 16 7715 1 1 26 ALA O O 4.680 6.076 -0.863 1.00 . A A . 25 ALA O 1 1 16 7716 1 1 27 LYS C C 5.198 3.799 1.194 1.00 . A A . 26 LYS C 1 1 16 7717 1 1 27 LYS CA C 4.362 4.981 1.669 1.00 . A A . 26 LYS CA 1 1 16 7718 1 1 27 LYS CB C 3.770 4.677 3.048 1.00 . A A . 26 LYS CB 1 1 16 7719 1 1 27 LYS CD C 2.194 5.373 4.876 1.00 . A A . 26 LYS CD 1 1 16 7720 1 1 27 LYS CE C 3.110 4.990 6.031 1.00 . A A . 26 LYS CE 1 1 16 7721 1 1 27 LYS CG C 2.971 5.823 3.648 1.00 . A A . 26 LYS CG 1 1 16 7722 1 1 27 LYS H H 2.372 5.049 0.958 1.00 . A A . 26 LYS H 1 1 16 7723 1 1 27 LYS HA H 4.988 5.856 1.733 1.00 . A A . 26 LYS HA 1 1 16 7724 1 1 27 LYS HB2 H 3.114 3.824 2.963 1.00 . A A . 26 LYS HB2 1 1 16 7725 1 1 27 LYS HB3 H 4.574 4.432 3.724 1.00 . A A . 26 LYS HB3 1 1 16 7726 1 1 27 LYS HD2 H 1.552 6.178 5.196 1.00 . A A . 26 LYS HD2 1 1 16 7727 1 1 27 LYS HD3 H 1.592 4.517 4.610 1.00 . A A . 26 LYS HD3 1 1 16 7728 1 1 27 LYS HE2 H 2.516 4.541 6.812 1.00 . A A . 26 LYS HE2 1 1 16 7729 1 1 27 LYS HE3 H 3.834 4.273 5.675 1.00 . A A . 26 LYS HE3 1 1 16 7730 1 1 27 LYS HG2 H 3.650 6.614 3.933 1.00 . A A . 26 LYS HG2 1 1 16 7731 1 1 27 LYS HG3 H 2.277 6.192 2.908 1.00 . A A . 26 LYS HG3 1 1 16 7732 1 1 27 LYS HZ1 H 4.428 6.601 5.862 1.00 . A A . 26 LYS HZ1 1 1 16 7733 1 1 27 LYS HZ2 H 4.429 5.873 7.385 1.00 . A A . 26 LYS HZ2 1 1 16 7734 1 1 27 LYS HZ3 H 3.147 6.874 6.928 1.00 . A A . 26 LYS HZ3 1 1 16 7735 1 1 27 LYS N N 3.298 5.252 0.712 1.00 . A A . 26 LYS N 1 1 16 7736 1 1 27 LYS NZ N 3.828 6.166 6.589 1.00 . A A . 26 LYS NZ 1 1 16 7737 1 1 27 LYS O O 6.429 3.842 1.207 1.00 . A A . 26 LYS O 1 1 16 7738 1 1 28 4PH C33 C 6.047 -3.981 -2.945 1.00 . A A . 27 4PH C33 1 1 16 7739 1 1 28 4PH H33 H 6.936 -3.691 -3.482 1.00 . A A . 27 4PH H33 1 1 16 7740 1 1 28 4PH H33A H 6.280 -4.788 -2.264 1.00 . A A . 27 4PH H33A 1 1 16 7741 1 1 28 4PH H33B H 5.296 -4.302 -3.653 1.00 . A A . 27 4PH H33B 1 1 16 7742 1 1 29 GLN C C 7.479 3.671 -2.838 1.00 . A A . 28 GLN C 1 1 16 7743 1 1 29 GLN CA C 6.189 2.911 -3.121 1.00 . A A . 28 GLN CA 1 1 16 7744 1 1 29 GLN CB C 5.292 3.729 -4.055 1.00 . A A . 28 GLN CB 1 1 16 7745 1 1 29 GLN CD C 3.134 3.826 -5.374 1.00 . A A . 28 GLN CD 1 1 16 7746 1 1 29 GLN CG C 4.101 2.949 -4.603 1.00 . A A . 28 GLN CG 1 1 16 7747 1 1 29 GLN H H 4.581 2.965 -1.740 1.00 . A A . 28 GLN H 1 1 16 7748 1 1 29 GLN HA H 6.436 1.978 -3.603 1.00 . A A . 28 GLN HA 1 1 16 7749 1 1 29 GLN HB2 H 4.914 4.587 -3.514 1.00 . A A . 28 GLN HB2 1 1 16 7750 1 1 29 GLN HB3 H 5.886 4.076 -4.890 1.00 . A A . 28 GLN HB3 1 1 16 7751 1 1 29 GLN HE21 H 2.632 2.293 -6.531 1.00 . A A . 28 GLN HE21 1 1 16 7752 1 1 29 GLN HE22 H 1.841 3.787 -6.880 1.00 . A A . 28 GLN HE22 1 1 16 7753 1 1 29 GLN HG2 H 4.463 2.176 -5.265 1.00 . A A . 28 GLN HG2 1 1 16 7754 1 1 29 GLN HG3 H 3.571 2.494 -3.779 1.00 . A A . 28 GLN HG3 1 1 16 7755 1 1 29 GLN N N 5.482 2.594 -1.884 1.00 . A A . 28 GLN N 1 1 16 7756 1 1 29 GLN NE2 N 2.467 3.245 -6.358 1.00 . A A . 28 GLN NE2 1 1 16 7757 1 1 29 GLN O O 8.516 3.392 -3.441 1.00 . A A . 28 GLN O 1 1 16 7758 1 1 29 GLN OE1 O 2.988 5.014 -5.086 1.00 . A A . 28 GLN OE1 1 1 16 7759 1 1 30 LYS C C 9.624 4.597 -0.842 1.00 . A A . 29 LYS C 1 1 16 7760 1 1 30 LYS CA C 8.566 5.430 -1.562 1.00 . A A . 29 LYS CA 1 1 16 7761 1 1 30 LYS CB C 8.130 6.614 -0.690 1.00 . A A . 29 LYS CB 1 1 16 7762 1 1 30 LYS CD C 9.933 8.111 -1.601 1.00 . A A . 29 LYS CD 1 1 16 7763 1 1 30 LYS CE C 10.980 9.160 -1.271 1.00 . A A . 29 LYS CE 1 1 16 7764 1 1 30 LYS CG C 9.256 7.579 -0.349 1.00 . A A . 29 LYS CG 1 1 16 7765 1 1 30 LYS H H 6.564 4.764 -1.441 1.00 . A A . 29 LYS H 1 1 16 7766 1 1 30 LYS HA H 8.988 5.809 -2.480 1.00 . A A . 29 LYS HA 1 1 16 7767 1 1 30 LYS HB2 H 7.362 7.166 -1.211 1.00 . A A . 29 LYS HB2 1 1 16 7768 1 1 30 LYS HB3 H 7.721 6.233 0.234 1.00 . A A . 29 LYS HB3 1 1 16 7769 1 1 30 LYS HD2 H 10.411 7.291 -2.114 1.00 . A A . 29 LYS HD2 1 1 16 7770 1 1 30 LYS HD3 H 9.183 8.552 -2.243 1.00 . A A . 29 LYS HD3 1 1 16 7771 1 1 30 LYS HE2 H 10.485 10.034 -0.875 1.00 . A A . 29 LYS HE2 1 1 16 7772 1 1 30 LYS HE3 H 11.652 8.760 -0.525 1.00 . A A . 29 LYS HE3 1 1 16 7773 1 1 30 LYS HG2 H 8.848 8.408 0.208 1.00 . A A . 29 LYS HG2 1 1 16 7774 1 1 30 LYS HG3 H 9.988 7.062 0.254 1.00 . A A . 29 LYS HG3 1 1 16 7775 1 1 30 LYS HZ1 H 11.132 9.890 -3.220 1.00 . A A . 29 LYS HZ1 1 1 16 7776 1 1 30 LYS HZ2 H 12.302 8.735 -2.829 1.00 . A A . 29 LYS HZ2 1 1 16 7777 1 1 30 LYS HZ3 H 12.435 10.310 -2.228 1.00 . A A . 29 LYS HZ3 1 1 16 7778 1 1 30 LYS N N 7.412 4.613 -1.907 1.00 . A A . 29 LYS N 1 1 16 7779 1 1 30 LYS NZ N 11.766 9.552 -2.470 1.00 . A A . 29 LYS NZ 1 1 16 7780 1 1 30 LYS O O 10.814 4.675 -1.160 1.00 . A A . 29 LYS O 1 1 16 7781 1 1 31 ASP C C 10.701 1.862 -0.016 1.00 . A A . 30 ASP C 1 1 16 7782 1 1 31 ASP CA C 10.104 2.947 0.880 1.00 . A A . 30 ASP CA 1 1 16 7783 1 1 31 ASP CB C 9.377 2.315 2.076 1.00 . A A . 30 ASP CB 1 1 16 7784 1 1 31 ASP CG C 10.320 1.923 3.199 1.00 . A A . 30 ASP CG 1 1 16 7785 1 1 31 ASP H H 8.223 3.752 0.313 1.00 . A A . 30 ASP H 1 1 16 7786 1 1 31 ASP HA H 10.902 3.577 1.244 1.00 . A A . 30 ASP HA 1 1 16 7787 1 1 31 ASP HB2 H 8.662 3.022 2.468 1.00 . A A . 30 ASP HB2 1 1 16 7788 1 1 31 ASP HB3 H 8.855 1.429 1.746 1.00 . A A . 30 ASP HB3 1 1 16 7789 1 1 31 ASP N N 9.187 3.784 0.112 1.00 . A A . 30 ASP N 1 1 16 7790 1 1 31 ASP O O 11.866 1.487 0.131 1.00 . A A . 30 ASP O 1 1 16 7791 1 1 31 ASP OD1 O 10.641 2.774 4.050 1.00 . A A . 30 ASP OD1 1 1 16 7792 1 1 31 ASP OD2 O 10.762 0.754 3.223 1.00 . A A . 30 ASP OD2 1 1 16 7793 1 1 32 LEU C C 11.389 0.967 -2.855 1.00 . A A . 31 LEU C 1 1 16 7794 1 1 32 LEU CA C 10.342 0.368 -1.917 1.00 . A A . 31 LEU CA 1 1 16 7795 1 1 32 LEU CB C 9.135 -0.153 -2.719 1.00 . A A . 31 LEU CB 1 1 16 7796 1 1 32 LEU CD1 C 10.318 -1.651 -4.383 1.00 . A A . 31 LEU CD1 1 1 16 7797 1 1 32 LEU CD2 C 9.519 -2.575 -2.204 1.00 . A A . 31 LEU CD2 1 1 16 7798 1 1 32 LEU CG C 9.248 -1.568 -3.308 1.00 . A A . 31 LEU CG 1 1 16 7799 1 1 32 LEU H H 8.969 1.696 -1.005 1.00 . A A . 31 LEU H 1 1 16 7800 1 1 32 LEU HA H 10.785 -0.443 -1.368 1.00 . A A . 31 LEU HA 1 1 16 7801 1 1 32 LEU HB2 H 8.270 -0.132 -2.072 1.00 . A A . 31 LEU HB2 1 1 16 7802 1 1 32 LEU HB3 H 8.961 0.532 -3.535 1.00 . A A . 31 LEU HB3 1 1 16 7803 1 1 32 LEU HD11 H 10.068 -0.983 -5.193 1.00 . A A . 31 LEU HD11 1 1 16 7804 1 1 32 LEU HD12 H 10.375 -2.662 -4.756 1.00 . A A . 31 LEU HD12 1 1 16 7805 1 1 32 LEU HD13 H 11.272 -1.367 -3.964 1.00 . A A . 31 LEU HD13 1 1 16 7806 1 1 32 LEU HD21 H 8.757 -2.484 -1.444 1.00 . A A . 31 LEU HD21 1 1 16 7807 1 1 32 LEU HD22 H 10.487 -2.381 -1.771 1.00 . A A . 31 LEU HD22 1 1 16 7808 1 1 32 LEU HD23 H 9.501 -3.572 -2.614 1.00 . A A . 31 LEU HD23 1 1 16 7809 1 1 32 LEU HG H 8.304 -1.828 -3.766 1.00 . A A . 31 LEU HG 1 1 16 7810 1 1 32 LEU N N 9.898 1.377 -0.960 1.00 . A A . 31 LEU N 1 1 16 7811 1 1 32 LEU O O 12.398 0.335 -3.161 1.00 . A A . 31 LEU O 1 1 16 7812 1 1 33 ALA C C 13.429 3.070 -3.569 1.00 . A A . 32 ALA C 1 1 16 7813 1 1 33 ALA CA C 12.051 2.897 -4.194 1.00 . A A . 32 ALA CA 1 1 16 7814 1 1 33 ALA CB C 11.471 4.250 -4.570 1.00 . A A . 32 ALA CB 1 1 16 7815 1 1 33 ALA H H 10.331 2.652 -2.994 1.00 . A A . 32 ALA H 1 1 16 7816 1 1 33 ALA HA H 12.145 2.309 -5.092 1.00 . A A . 32 ALA HA 1 1 16 7817 1 1 33 ALA HB1 H 11.399 4.866 -3.685 1.00 . A A . 32 ALA HB1 1 1 16 7818 1 1 33 ALA HB2 H 10.487 4.114 -4.995 1.00 . A A . 32 ALA HB2 1 1 16 7819 1 1 33 ALA HB3 H 12.114 4.729 -5.293 1.00 . A A . 32 ALA HB3 1 1 16 7820 1 1 33 ALA N N 11.146 2.200 -3.288 1.00 . A A . 32 ALA N 1 1 16 7821 1 1 33 ALA O O 14.447 3.040 -4.262 1.00 . A A . 32 ALA O 1 1 16 7822 1 1 34 ASP C C 15.357 2.021 -1.315 1.00 . A A . 33 ASP C 1 1 16 7823 1 1 34 ASP CA C 14.712 3.388 -1.532 1.00 . A A . 33 ASP CA 1 1 16 7824 1 1 34 ASP CB C 14.489 4.085 -0.187 1.00 . A A . 33 ASP CB 1 1 16 7825 1 1 34 ASP CG C 15.771 4.227 0.605 1.00 . A A . 33 ASP CG 1 1 16 7826 1 1 34 ASP H H 12.606 3.333 -1.772 1.00 . A A . 33 ASP H 1 1 16 7827 1 1 34 ASP HA H 15.377 3.991 -2.131 1.00 . A A . 33 ASP HA 1 1 16 7828 1 1 34 ASP HB2 H 14.084 5.072 -0.361 1.00 . A A . 33 ASP HB2 1 1 16 7829 1 1 34 ASP HB3 H 13.786 3.512 0.399 1.00 . A A . 33 ASP HB3 1 1 16 7830 1 1 34 ASP N N 13.455 3.261 -2.259 1.00 . A A . 33 ASP N 1 1 16 7831 1 1 34 ASP O O 16.583 1.894 -1.317 1.00 . A A . 33 ASP O 1 1 16 7832 1 1 34 ASP OD1 O 16.574 5.134 0.289 1.00 . A A . 33 ASP OD1 1 1 16 7833 1 1 34 ASP OD2 O 15.980 3.442 1.554 1.00 . A A . 33 ASP OD2 1 1 16 7834 1 1 35 4PH C33 C 15.368 -6.366 1.448 1.00 . A A . 34 4PH C33 1 1 16 7835 1 1 35 4PH H33 H 14.570 -7.069 1.262 1.00 . A A . 34 4PH H33 1 1 16 7836 1 1 35 4PH H33A H 16.265 -6.691 0.941 1.00 . A A . 34 4PH H33A 1 1 16 7837 1 1 35 4PH H33B H 15.549 -6.313 2.513 1.00 . A A . 34 4PH H33B 1 1 16 7838 1 1 36 NH2 HN1 H 14.204 -0.137 -3.274 1.00 . A A . 35 NH2 HN1 1 1 16 7839 1 1 36 NH2 HN2 H 15.398 -1.049 -4.128 1.00 . A A . 35 NH2 HN2 1 1 16 7840 1 1 36 NH2 N N 15.018 -0.687 -3.302 1.00 . A A . 35 NH2 N 1 1 17 7841 1 1 1 ACE C C 12.807 -5.162 5.558 1.00 . A A . 0 ACE C 1 1 17 7842 1 1 1 ACE CH3 C 13.738 -4.093 5.059 1.00 . A A . 0 ACE CH3 1 1 17 7843 1 1 1 ACE H1 H 13.956 -3.413 5.875 1.00 . A A . 0 ACE H1 1 1 17 7844 1 1 1 ACE H2 H 13.267 -3.555 4.259 1.00 . A A . 0 ACE H2 1 1 17 7845 1 1 1 ACE H3 H 14.642 -4.567 4.691 1.00 . A A . 0 ACE H3 1 1 17 7846 1 1 1 ACE O O 12.249 -5.059 6.652 1.00 . A A . 0 ACE O 1 1 17 7847 1 1 2 PRO C C 10.622 -5.439 3.514 1.00 . A A . 1 PRO C 1 1 17 7848 1 1 2 PRO CA C 11.992 -6.110 3.441 1.00 . A A . 1 PRO CA 1 1 17 7849 1 1 2 PRO CB C 11.854 -7.570 2.975 1.00 . A A . 1 PRO CB 1 1 17 7850 1 1 2 PRO CD C 12.986 -7.601 5.081 1.00 . A A . 1 PRO CD 1 1 17 7851 1 1 2 PRO CG C 12.085 -8.406 4.188 1.00 . A A . 1 PRO CG 1 1 17 7852 1 1 2 PRO HA H 12.624 -5.565 2.754 1.00 . A A . 1 PRO HA 1 1 17 7853 1 1 2 PRO HB2 H 10.859 -7.735 2.577 1.00 . A A . 1 PRO HB2 1 1 17 7854 1 1 2 PRO HB3 H 12.598 -7.793 2.225 1.00 . A A . 1 PRO HB3 1 1 17 7855 1 1 2 PRO HD2 H 12.792 -7.823 6.120 1.00 . A A . 1 PRO HD2 1 1 17 7856 1 1 2 PRO HD3 H 14.023 -7.784 4.840 1.00 . A A . 1 PRO HD3 1 1 17 7857 1 1 2 PRO HG2 H 11.140 -8.603 4.680 1.00 . A A . 1 PRO HG2 1 1 17 7858 1 1 2 PRO HG3 H 12.569 -9.330 3.914 1.00 . A A . 1 PRO HG3 1 1 17 7859 1 1 2 PRO N N 12.611 -6.219 4.762 1.00 . A A . 1 PRO N 1 1 17 7860 1 1 2 PRO O O 9.742 -5.888 4.249 1.00 . A A . 1 PRO O 1 1 17 7861 1 1 3 PRO C C 8.051 -4.410 2.109 1.00 . A A . 2 PRO C 1 1 17 7862 1 1 3 PRO CA C 9.167 -3.606 2.765 1.00 . A A . 2 PRO CA 1 1 17 7863 1 1 3 PRO CB C 9.475 -2.342 1.955 1.00 . A A . 2 PRO CB 1 1 17 7864 1 1 3 PRO CD C 11.428 -3.733 1.864 1.00 . A A . 2 PRO CD 1 1 17 7865 1 1 3 PRO CG C 10.649 -2.686 1.112 1.00 . A A . 2 PRO CG 1 1 17 7866 1 1 3 PRO HA H 8.871 -3.336 3.768 1.00 . A A . 2 PRO HA 1 1 17 7867 1 1 3 PRO HB2 H 8.621 -2.082 1.339 1.00 . A A . 2 PRO HB2 1 1 17 7868 1 1 3 PRO HB3 H 9.722 -1.525 2.617 1.00 . A A . 2 PRO HB3 1 1 17 7869 1 1 3 PRO HD2 H 11.823 -4.470 1.179 1.00 . A A . 2 PRO HD2 1 1 17 7870 1 1 3 PRO HD3 H 12.228 -3.277 2.428 1.00 . A A . 2 PRO HD3 1 1 17 7871 1 1 3 PRO HG2 H 10.312 -3.077 0.161 1.00 . A A . 2 PRO HG2 1 1 17 7872 1 1 3 PRO HG3 H 11.258 -1.809 0.962 1.00 . A A . 2 PRO HG3 1 1 17 7873 1 1 3 PRO N N 10.431 -4.339 2.766 1.00 . A A . 2 PRO N 1 1 17 7874 1 1 3 PRO O O 8.036 -4.600 0.893 1.00 . A A . 2 PRO O 1 1 17 7875 1 1 4 THR C C 4.931 -4.876 1.865 1.00 . A A . 3 THR C 1 1 17 7876 1 1 4 THR CA C 6.055 -5.732 2.432 1.00 . A A . 3 THR CA 1 1 17 7877 1 1 4 THR CB C 5.507 -6.640 3.549 1.00 . A A . 3 THR CB 1 1 17 7878 1 1 4 THR CG2 C 6.543 -7.675 3.962 1.00 . A A . 3 THR CG2 1 1 17 7879 1 1 4 THR H H 7.176 -4.694 3.878 1.00 . A A . 3 THR H 1 1 17 7880 1 1 4 THR HA H 6.450 -6.358 1.648 1.00 . A A . 3 THR HA 1 1 17 7881 1 1 4 THR HB H 4.634 -7.155 3.179 1.00 . A A . 3 THR HB 1 1 17 7882 1 1 4 THR HG1 H 5.223 -6.380 5.487 1.00 . A A . 3 THR HG1 1 1 17 7883 1 1 4 THR HG21 H 7.392 -7.179 4.410 1.00 . A A . 3 THR HG21 1 1 17 7884 1 1 4 THR HG22 H 6.867 -8.224 3.092 1.00 . A A . 3 THR HG22 1 1 17 7885 1 1 4 THR HG23 H 6.106 -8.356 4.676 1.00 . A A . 3 THR HG23 1 1 17 7886 1 1 4 THR N N 7.132 -4.900 2.923 1.00 . A A . 3 THR N 1 1 17 7887 1 1 4 THR O O 4.543 -3.867 2.461 1.00 . A A . 3 THR O 1 1 17 7888 1 1 4 THR OG1 O 5.137 -5.848 4.687 1.00 . A A . 3 THR OG1 1 1 17 7889 1 1 5 LYS C C 1.997 -5.007 0.698 1.00 . A A . 4 LYS C 1 1 17 7890 1 1 5 LYS CA C 3.318 -4.552 0.089 1.00 . A A . 4 LYS CA 1 1 17 7891 1 1 5 LYS CB C 3.306 -4.761 -1.432 1.00 . A A . 4 LYS CB 1 1 17 7892 1 1 5 LYS CD C 3.065 -6.326 -3.378 1.00 . A A . 4 LYS CD 1 1 17 7893 1 1 5 LYS CE C 2.910 -7.771 -3.824 1.00 . A A . 4 LYS CE 1 1 17 7894 1 1 5 LYS CG C 3.157 -6.206 -1.864 1.00 . A A . 4 LYS CG 1 1 17 7895 1 1 5 LYS H H 4.799 -6.053 0.264 1.00 . A A . 4 LYS H 1 1 17 7896 1 1 5 LYS HA H 3.452 -3.504 0.297 1.00 . A A . 4 LYS HA 1 1 17 7897 1 1 5 LYS HB2 H 2.485 -4.200 -1.854 1.00 . A A . 4 LYS HB2 1 1 17 7898 1 1 5 LYS HB3 H 4.233 -4.383 -1.839 1.00 . A A . 4 LYS HB3 1 1 17 7899 1 1 5 LYS HD2 H 2.211 -5.761 -3.723 1.00 . A A . 4 LYS HD2 1 1 17 7900 1 1 5 LYS HD3 H 3.966 -5.919 -3.816 1.00 . A A . 4 LYS HD3 1 1 17 7901 1 1 5 LYS HE2 H 2.006 -8.172 -3.391 1.00 . A A . 4 LYS HE2 1 1 17 7902 1 1 5 LYS HE3 H 2.833 -7.795 -4.900 1.00 . A A . 4 LYS HE3 1 1 17 7903 1 1 5 LYS HG2 H 4.016 -6.761 -1.524 1.00 . A A . 4 LYS HG2 1 1 17 7904 1 1 5 LYS HG3 H 2.260 -6.610 -1.421 1.00 . A A . 4 LYS HG3 1 1 17 7905 1 1 5 LYS HZ1 H 4.089 -8.693 -2.367 1.00 . A A . 4 LYS HZ1 1 1 17 7906 1 1 5 LYS HZ2 H 4.955 -8.192 -3.730 1.00 . A A . 4 LYS HZ2 1 1 17 7907 1 1 5 LYS HZ3 H 3.973 -9.565 -3.810 1.00 . A A . 4 LYS HZ3 1 1 17 7908 1 1 5 LYS N N 4.425 -5.265 0.707 1.00 . A A . 4 LYS N 1 1 17 7909 1 1 5 LYS NZ N 4.060 -8.614 -3.404 1.00 . A A . 4 LYS NZ 1 1 17 7910 1 1 5 LYS O O 1.892 -6.135 1.186 1.00 . A A . 4 LYS O 1 1 17 7911 1 1 6 PRO C C -1.091 -5.389 0.233 1.00 . A A . 5 PRO C 1 1 17 7912 1 1 6 PRO CA C -0.346 -4.482 1.208 1.00 . A A . 5 PRO CA 1 1 17 7913 1 1 6 PRO CB C -1.040 -3.125 1.320 1.00 . A A . 5 PRO CB 1 1 17 7914 1 1 6 PRO CD C 1.062 -2.722 0.274 1.00 . A A . 5 PRO CD 1 1 17 7915 1 1 6 PRO CG C -0.372 -2.278 0.299 1.00 . A A . 5 PRO CG 1 1 17 7916 1 1 6 PRO HA H -0.303 -4.954 2.178 1.00 . A A . 5 PRO HA 1 1 17 7917 1 1 6 PRO HB2 H -2.095 -3.233 1.111 1.00 . A A . 5 PRO HB2 1 1 17 7918 1 1 6 PRO HB3 H -0.892 -2.709 2.302 1.00 . A A . 5 PRO HB3 1 1 17 7919 1 1 6 PRO HD2 H 1.461 -2.651 -0.727 1.00 . A A . 5 PRO HD2 1 1 17 7920 1 1 6 PRO HD3 H 1.653 -2.133 0.964 1.00 . A A . 5 PRO HD3 1 1 17 7921 1 1 6 PRO HG2 H -0.833 -2.438 -0.669 1.00 . A A . 5 PRO HG2 1 1 17 7922 1 1 6 PRO HG3 H -0.434 -1.239 0.579 1.00 . A A . 5 PRO HG3 1 1 17 7923 1 1 6 PRO N N 0.988 -4.131 0.716 1.00 . A A . 5 PRO N 1 1 17 7924 1 1 6 PRO O O -0.750 -5.462 -0.950 1.00 . A A . 5 PRO O 1 1 17 7925 1 1 7 THR C C -4.020 -6.213 -0.782 1.00 . A A . 6 THR C 1 1 17 7926 1 1 7 THR CA C -2.885 -6.975 -0.099 1.00 . A A . 6 THR CA 1 1 17 7927 1 1 7 THR CB C -3.448 -8.159 0.721 1.00 . A A . 6 THR CB 1 1 17 7928 1 1 7 THR CG2 C -4.384 -7.674 1.815 1.00 . A A . 6 THR CG2 1 1 17 7929 1 1 7 THR H H -2.321 -5.989 1.683 1.00 . A A . 6 THR H 1 1 17 7930 1 1 7 THR HA H -2.234 -7.376 -0.862 1.00 . A A . 6 THR HA 1 1 17 7931 1 1 7 THR HB H -2.620 -8.671 1.183 1.00 . A A . 6 THR HB 1 1 17 7932 1 1 7 THR HG1 H -5.048 -9.178 0.173 1.00 . A A . 6 THR HG1 1 1 17 7933 1 1 7 THR HG21 H -5.167 -7.075 1.375 1.00 . A A . 6 THR HG21 1 1 17 7934 1 1 7 THR HG22 H -3.831 -7.079 2.523 1.00 . A A . 6 THR HG22 1 1 17 7935 1 1 7 THR HG23 H -4.820 -8.522 2.317 1.00 . A A . 6 THR HG23 1 1 17 7936 1 1 7 THR N N -2.099 -6.082 0.731 1.00 . A A . 6 THR N 1 1 17 7937 1 1 7 THR O O -4.514 -5.209 -0.262 1.00 . A A . 6 THR O 1 1 17 7938 1 1 7 THR OG1 O -4.139 -9.079 -0.134 1.00 . A A . 6 THR OG1 1 1 17 7939 1 1 8 LYS C C -6.788 -6.065 -2.047 1.00 . A A . 7 LYS C 1 1 17 7940 1 1 8 LYS CA C -5.438 -6.047 -2.762 1.00 . A A . 7 LYS CA 1 1 17 7941 1 1 8 LYS CB C -5.580 -6.762 -4.108 1.00 . A A . 7 LYS CB 1 1 17 7942 1 1 8 LYS CD C -3.750 -5.532 -5.324 1.00 . A A . 7 LYS CD 1 1 17 7943 1 1 8 LYS CE C -2.646 -5.669 -6.360 1.00 . A A . 7 LYS CE 1 1 17 7944 1 1 8 LYS CG C -4.287 -6.887 -4.901 1.00 . A A . 7 LYS CG 1 1 17 7945 1 1 8 LYS H H -4.003 -7.523 -2.277 1.00 . A A . 7 LYS H 1 1 17 7946 1 1 8 LYS HA H -5.137 -5.025 -2.934 1.00 . A A . 7 LYS HA 1 1 17 7947 1 1 8 LYS HB2 H -5.961 -7.756 -3.931 1.00 . A A . 7 LYS HB2 1 1 17 7948 1 1 8 LYS HB3 H -6.293 -6.221 -4.713 1.00 . A A . 7 LYS HB3 1 1 17 7949 1 1 8 LYS HD2 H -4.557 -4.949 -5.746 1.00 . A A . 7 LYS HD2 1 1 17 7950 1 1 8 LYS HD3 H -3.353 -5.027 -4.455 1.00 . A A . 7 LYS HD3 1 1 17 7951 1 1 8 LYS HE2 H -2.300 -4.682 -6.630 1.00 . A A . 7 LYS HE2 1 1 17 7952 1 1 8 LYS HE3 H -1.829 -6.228 -5.925 1.00 . A A . 7 LYS HE3 1 1 17 7953 1 1 8 LYS HG2 H -3.547 -7.378 -4.288 1.00 . A A . 7 LYS HG2 1 1 17 7954 1 1 8 LYS HG3 H -4.475 -7.479 -5.783 1.00 . A A . 7 LYS HG3 1 1 17 7955 1 1 8 LYS HZ1 H -2.355 -6.390 -8.298 1.00 . A A . 7 LYS HZ1 1 1 17 7956 1 1 8 LYS HZ2 H -3.939 -5.881 -7.989 1.00 . A A . 7 LYS HZ2 1 1 17 7957 1 1 8 LYS HZ3 H -3.383 -7.349 -7.362 1.00 . A A . 7 LYS HZ3 1 1 17 7958 1 1 8 LYS N N -4.411 -6.695 -1.953 1.00 . A A . 7 LYS N 1 1 17 7959 1 1 8 LYS NZ N -3.115 -6.370 -7.586 1.00 . A A . 7 LYS NZ 1 1 17 7960 1 1 8 LYS O O -7.277 -7.132 -1.673 1.00 . A A . 7 LYS O 1 1 17 7961 1 1 9 PRO C C -9.809 -5.480 -2.073 1.00 . A A . 8 PRO C 1 1 17 7962 1 1 9 PRO CA C -8.735 -4.801 -1.227 1.00 . A A . 8 PRO CA 1 1 17 7963 1 1 9 PRO CB C -9.000 -3.291 -1.147 1.00 . A A . 8 PRO CB 1 1 17 7964 1 1 9 PRO CD C -6.854 -3.563 -2.152 1.00 . A A . 8 PRO CD 1 1 17 7965 1 1 9 PRO CG C -7.665 -2.648 -1.277 1.00 . A A . 8 PRO CG 1 1 17 7966 1 1 9 PRO HA H -8.744 -5.226 -0.235 1.00 . A A . 8 PRO HA 1 1 17 7967 1 1 9 PRO HB2 H -9.652 -2.990 -1.959 1.00 . A A . 8 PRO HB2 1 1 17 7968 1 1 9 PRO HB3 H -9.446 -3.043 -0.195 1.00 . A A . 8 PRO HB3 1 1 17 7969 1 1 9 PRO HD2 H -7.000 -3.320 -3.196 1.00 . A A . 8 PRO HD2 1 1 17 7970 1 1 9 PRO HD3 H -5.806 -3.506 -1.889 1.00 . A A . 8 PRO HD3 1 1 17 7971 1 1 9 PRO HG2 H -7.771 -1.676 -1.739 1.00 . A A . 8 PRO HG2 1 1 17 7972 1 1 9 PRO HG3 H -7.199 -2.555 -0.306 1.00 . A A . 8 PRO HG3 1 1 17 7973 1 1 9 PRO N N -7.406 -4.893 -1.838 1.00 . A A . 8 PRO N 1 1 17 7974 1 1 9 PRO O O -9.991 -5.152 -3.248 1.00 . A A . 8 PRO O 1 1 17 7975 1 1 10 GLY C C -12.931 -6.606 -1.762 1.00 . A A . 9 GLY C 1 1 17 7976 1 1 10 GLY CA C -11.573 -7.125 -2.175 1.00 . A A . 9 GLY CA 1 1 17 7977 1 1 10 GLY H H -10.289 -6.682 -0.552 1.00 . A A . 9 GLY H 1 1 17 7978 1 1 10 GLY HA2 H -11.450 -6.979 -3.237 1.00 . A A . 9 GLY HA2 1 1 17 7979 1 1 10 GLY HA3 H -11.520 -8.181 -1.956 1.00 . A A . 9 GLY HA3 1 1 17 7980 1 1 10 GLY N N -10.501 -6.441 -1.480 1.00 . A A . 9 GLY N 1 1 17 7981 1 1 10 GLY O O -13.598 -5.910 -2.526 1.00 . A A . 9 GLY O 1 1 17 7982 1 1 11 ASP C C -14.406 -5.102 0.664 1.00 . A A . 10 ASP C 1 1 17 7983 1 1 11 ASP CA C -14.599 -6.459 0.006 1.00 . A A . 10 ASP CA 1 1 17 7984 1 1 11 ASP CB C -15.151 -7.461 1.026 1.00 . A A . 10 ASP CB 1 1 17 7985 1 1 11 ASP CG C -16.485 -7.027 1.594 1.00 . A A . 10 ASP CG 1 1 17 7986 1 1 11 ASP H H -12.748 -7.490 0.015 1.00 . A A . 10 ASP H 1 1 17 7987 1 1 11 ASP HA H -15.299 -6.360 -0.811 1.00 . A A . 10 ASP HA 1 1 17 7988 1 1 11 ASP HB2 H -15.283 -8.418 0.547 1.00 . A A . 10 ASP HB2 1 1 17 7989 1 1 11 ASP HB3 H -14.448 -7.562 1.840 1.00 . A A . 10 ASP HB3 1 1 17 7990 1 1 11 ASP N N -13.327 -6.926 -0.539 1.00 . A A . 10 ASP N 1 1 17 7991 1 1 11 ASP O O -15.297 -4.253 0.662 1.00 . A A . 10 ASP O 1 1 17 7992 1 1 11 ASP OD1 O -17.508 -7.175 0.895 1.00 . A A . 10 ASP OD1 1 1 17 7993 1 1 11 ASP OD2 O -16.522 -6.542 2.745 1.00 . A A . 10 ASP OD2 1 1 17 7994 1 1 12 ASN C C -12.468 -2.581 0.833 1.00 . A A . 11 ASN C 1 1 17 7995 1 1 12 ASN CA C -12.849 -3.649 1.854 1.00 . A A . 11 ASN CA 1 1 17 7996 1 1 12 ASN CB C -11.692 -3.865 2.840 1.00 . A A . 11 ASN CB 1 1 17 7997 1 1 12 ASN CG C -10.420 -4.357 2.168 1.00 . A A . 11 ASN CG 1 1 17 7998 1 1 12 ASN H H -12.541 -5.617 1.143 1.00 . A A . 11 ASN H 1 1 17 7999 1 1 12 ASN HA H -13.714 -3.307 2.401 1.00 . A A . 11 ASN HA 1 1 17 8000 1 1 12 ASN HB2 H -11.474 -2.930 3.333 1.00 . A A . 11 ASN HB2 1 1 17 8001 1 1 12 ASN HB3 H -11.992 -4.594 3.579 1.00 . A A . 11 ASN HB3 1 1 17 8002 1 1 12 ASN HD21 H -9.306 -3.371 3.480 1.00 . A A . 11 ASN HD21 1 1 17 8003 1 1 12 ASN HD22 H -8.438 -4.261 2.282 1.00 . A A . 11 ASN HD22 1 1 17 8004 1 1 12 ASN N N -13.210 -4.899 1.196 1.00 . A A . 11 ASN N 1 1 17 8005 1 1 12 ASN ND2 N -9.274 -3.956 2.696 1.00 . A A . 11 ASN ND2 1 1 17 8006 1 1 12 ASN O O -11.999 -1.504 1.194 1.00 . A A . 11 ASN O 1 1 17 8007 1 1 12 ASN OD1 O -10.466 -5.091 1.181 1.00 . A A . 11 ASN OD1 1 1 17 8008 1 1 13 ALA C C -13.319 -0.801 -1.638 1.00 . A A . 12 ALA C 1 1 17 8009 1 1 13 ALA CA C -12.341 -1.969 -1.532 1.00 . A A . 12 ALA CA 1 1 17 8010 1 1 13 ALA CB C -12.284 -2.729 -2.845 1.00 . A A . 12 ALA CB 1 1 17 8011 1 1 13 ALA H H -13.113 -3.733 -0.661 1.00 . A A . 12 ALA H 1 1 17 8012 1 1 13 ALA HA H -11.357 -1.580 -1.329 1.00 . A A . 12 ALA HA 1 1 17 8013 1 1 13 ALA HB1 H -13.270 -3.091 -3.094 1.00 . A A . 12 ALA HB1 1 1 17 8014 1 1 13 ALA HB2 H -11.608 -3.567 -2.745 1.00 . A A . 12 ALA HB2 1 1 17 8015 1 1 13 ALA HB3 H -11.932 -2.070 -3.624 1.00 . A A . 12 ALA HB3 1 1 17 8016 1 1 13 ALA N N -12.694 -2.878 -0.444 1.00 . A A . 12 ALA N 1 1 17 8017 1 1 13 ALA O O -13.456 -0.187 -2.696 1.00 . A A . 12 ALA O 1 1 17 8018 1 1 14 THR C C -14.057 1.930 -0.686 1.00 . A A . 13 THR C 1 1 17 8019 1 1 14 THR CA C -14.861 0.656 -0.458 1.00 . A A . 13 THR CA 1 1 17 8020 1 1 14 THR CB C -15.549 0.720 0.915 1.00 . A A . 13 THR CB 1 1 17 8021 1 1 14 THR CG2 C -16.620 -0.351 1.034 1.00 . A A . 13 THR CG2 1 1 17 8022 1 1 14 THR H H -13.883 -1.072 0.249 1.00 . A A . 13 THR H 1 1 17 8023 1 1 14 THR HA H -15.620 0.569 -1.220 1.00 . A A . 13 THR HA 1 1 17 8024 1 1 14 THR HB H -16.014 1.689 1.023 1.00 . A A . 13 THR HB 1 1 17 8025 1 1 14 THR HG1 H -13.694 0.496 1.552 1.00 . A A . 13 THR HG1 1 1 17 8026 1 1 14 THR HG21 H -17.137 -0.239 1.975 1.00 . A A . 13 THR HG21 1 1 17 8027 1 1 14 THR HG22 H -16.161 -1.327 0.987 1.00 . A A . 13 THR HG22 1 1 17 8028 1 1 14 THR HG23 H -17.324 -0.245 0.223 1.00 . A A . 13 THR HG23 1 1 17 8029 1 1 14 THR N N -13.990 -0.501 -0.539 1.00 . A A . 13 THR N 1 1 17 8030 1 1 14 THR O O -12.935 2.037 -0.195 1.00 . A A . 13 THR O 1 1 17 8031 1 1 14 THR OG1 O -14.572 0.545 1.949 1.00 . A A . 13 THR OG1 1 1 17 8032 1 1 15 PRO C C -13.082 4.762 -0.710 1.00 . A A . 14 PRO C 1 1 17 8033 1 1 15 PRO CA C -13.930 4.139 -1.821 1.00 . A A . 14 PRO CA 1 1 17 8034 1 1 15 PRO CB C -15.085 5.068 -2.185 1.00 . A A . 14 PRO CB 1 1 17 8035 1 1 15 PRO CD C -15.995 2.848 -1.975 1.00 . A A . 14 PRO CD 1 1 17 8036 1 1 15 PRO CG C -16.161 4.171 -2.690 1.00 . A A . 14 PRO CG 1 1 17 8037 1 1 15 PRO HA H -13.311 3.981 -2.691 1.00 . A A . 14 PRO HA 1 1 17 8038 1 1 15 PRO HB2 H -15.412 5.609 -1.306 1.00 . A A . 14 PRO HB2 1 1 17 8039 1 1 15 PRO HB3 H -14.783 5.756 -2.959 1.00 . A A . 14 PRO HB3 1 1 17 8040 1 1 15 PRO HD2 H -16.718 2.754 -1.178 1.00 . A A . 14 PRO HD2 1 1 17 8041 1 1 15 PRO HD3 H -16.098 2.027 -2.670 1.00 . A A . 14 PRO HD3 1 1 17 8042 1 1 15 PRO HG2 H -17.128 4.605 -2.465 1.00 . A A . 14 PRO HG2 1 1 17 8043 1 1 15 PRO HG3 H -16.049 4.030 -3.757 1.00 . A A . 14 PRO HG3 1 1 17 8044 1 1 15 PRO N N -14.621 2.898 -1.431 1.00 . A A . 14 PRO N 1 1 17 8045 1 1 15 PRO O O -11.965 5.221 -0.960 1.00 . A A . 14 PRO O 1 1 17 8046 1 1 16 GLU C C -11.657 4.606 2.025 1.00 . A A . 15 GLU C 1 1 17 8047 1 1 16 GLU CA C -12.914 5.385 1.636 1.00 . A A . 15 GLU CA 1 1 17 8048 1 1 16 GLU CB C -13.854 5.510 2.836 1.00 . A A . 15 GLU CB 1 1 17 8049 1 1 16 GLU CD C -15.891 6.623 3.824 1.00 . A A . 15 GLU CD 1 1 17 8050 1 1 16 GLU CG C -15.032 6.438 2.593 1.00 . A A . 15 GLU CG 1 1 17 8051 1 1 16 GLU H H -14.463 4.315 0.662 1.00 . A A . 15 GLU H 1 1 17 8052 1 1 16 GLU HA H -12.619 6.374 1.322 1.00 . A A . 15 GLU HA 1 1 17 8053 1 1 16 GLU HB2 H -14.243 4.532 3.078 1.00 . A A . 15 GLU HB2 1 1 17 8054 1 1 16 GLU HB3 H -13.296 5.885 3.680 1.00 . A A . 15 GLU HB3 1 1 17 8055 1 1 16 GLU HG2 H -14.659 7.402 2.285 1.00 . A A . 15 GLU HG2 1 1 17 8056 1 1 16 GLU HG3 H -15.641 6.019 1.806 1.00 . A A . 15 GLU HG3 1 1 17 8057 1 1 16 GLU N N -13.601 4.757 0.513 1.00 . A A . 15 GLU N 1 1 17 8058 1 1 16 GLU O O -10.578 5.180 2.177 1.00 . A A . 15 GLU O 1 1 17 8059 1 1 16 GLU OE1 O -16.855 5.853 4.003 1.00 . A A . 15 GLU OE1 1 1 17 8060 1 1 16 GLU OE2 O -15.606 7.539 4.620 1.00 . A A . 15 GLU OE2 1 1 17 8061 1 1 17 LYS C C -9.720 2.299 1.341 1.00 . A A . 16 LYS C 1 1 17 8062 1 1 17 LYS CA C -10.663 2.451 2.530 1.00 . A A . 16 LYS CA 1 1 17 8063 1 1 17 LYS CB C -11.148 1.077 3.018 1.00 . A A . 16 LYS CB 1 1 17 8064 1 1 17 LYS CD C -9.136 0.649 4.499 1.00 . A A . 16 LYS CD 1 1 17 8065 1 1 17 LYS CE C -9.878 0.728 5.825 1.00 . A A . 16 LYS CE 1 1 17 8066 1 1 17 LYS CG C -10.021 0.111 3.379 1.00 . A A . 16 LYS CG 1 1 17 8067 1 1 17 LYS H H -12.663 2.887 2.006 1.00 . A A . 16 LYS H 1 1 17 8068 1 1 17 LYS HA H -10.133 2.943 3.331 1.00 . A A . 16 LYS HA 1 1 17 8069 1 1 17 LYS HB2 H -11.763 1.217 3.896 1.00 . A A . 16 LYS HB2 1 1 17 8070 1 1 17 LYS HB3 H -11.746 0.621 2.238 1.00 . A A . 16 LYS HB3 1 1 17 8071 1 1 17 LYS HD2 H -8.286 -0.006 4.616 1.00 . A A . 16 LYS HD2 1 1 17 8072 1 1 17 LYS HD3 H -8.793 1.637 4.230 1.00 . A A . 16 LYS HD3 1 1 17 8073 1 1 17 LYS HE2 H -9.223 1.163 6.565 1.00 . A A . 16 LYS HE2 1 1 17 8074 1 1 17 LYS HE3 H -10.747 1.358 5.700 1.00 . A A . 16 LYS HE3 1 1 17 8075 1 1 17 LYS HG2 H -10.454 -0.825 3.699 1.00 . A A . 16 LYS HG2 1 1 17 8076 1 1 17 LYS HG3 H -9.413 -0.055 2.502 1.00 . A A . 16 LYS HG3 1 1 17 8077 1 1 17 LYS HZ1 H -10.962 -1.044 5.607 1.00 . A A . 16 LYS HZ1 1 1 17 8078 1 1 17 LYS HZ2 H -10.807 -0.530 7.207 1.00 . A A . 16 LYS HZ2 1 1 17 8079 1 1 17 LYS HZ3 H -9.490 -1.236 6.417 1.00 . A A . 16 LYS HZ3 1 1 17 8080 1 1 17 LYS N N -11.792 3.295 2.163 1.00 . A A . 16 LYS N 1 1 17 8081 1 1 17 LYS NZ N -10.314 -0.612 6.296 1.00 . A A . 16 LYS NZ 1 1 17 8082 1 1 17 LYS O O -8.517 2.114 1.505 1.00 . A A . 16 LYS O 1 1 17 8083 1 1 18 LEU C C -8.573 3.525 -1.192 1.00 . A A . 17 LEU C 1 1 17 8084 1 1 18 LEU CA C -9.502 2.319 -1.079 1.00 . A A . 17 LEU CA 1 1 17 8085 1 1 18 LEU CB C -10.447 2.242 -2.279 1.00 . A A . 17 LEU CB 1 1 17 8086 1 1 18 LEU CD1 C -9.102 0.534 -3.524 1.00 . A A . 17 LEU CD1 1 1 17 8087 1 1 18 LEU CD2 C -10.873 1.828 -4.692 1.00 . A A . 17 LEU CD2 1 1 17 8088 1 1 18 LEU CG C -9.808 1.875 -3.616 1.00 . A A . 17 LEU CG 1 1 17 8089 1 1 18 LEU H H -11.249 2.551 0.084 1.00 . A A . 17 LEU H 1 1 17 8090 1 1 18 LEU HA H -8.912 1.419 -1.034 1.00 . A A . 17 LEU HA 1 1 17 8091 1 1 18 LEU HB2 H -11.207 1.506 -2.063 1.00 . A A . 17 LEU HB2 1 1 17 8092 1 1 18 LEU HB3 H -10.923 3.204 -2.390 1.00 . A A . 17 LEU HB3 1 1 17 8093 1 1 18 LEU HD11 H -8.705 0.269 -4.492 1.00 . A A . 17 LEU HD11 1 1 17 8094 1 1 18 LEU HD12 H -9.808 -0.220 -3.205 1.00 . A A . 17 LEU HD12 1 1 17 8095 1 1 18 LEU HD13 H -8.299 0.599 -2.810 1.00 . A A . 17 LEU HD13 1 1 17 8096 1 1 18 LEU HD21 H -11.391 2.774 -4.729 1.00 . A A . 17 LEU HD21 1 1 17 8097 1 1 18 LEU HD22 H -11.578 1.040 -4.461 1.00 . A A . 17 LEU HD22 1 1 17 8098 1 1 18 LEU HD23 H -10.412 1.630 -5.647 1.00 . A A . 17 LEU HD23 1 1 17 8099 1 1 18 LEU HG H -9.081 2.626 -3.888 1.00 . A A . 17 LEU HG 1 1 17 8100 1 1 18 LEU N N -10.279 2.409 0.146 1.00 . A A . 17 LEU N 1 1 17 8101 1 1 18 LEU O O -7.463 3.426 -1.717 1.00 . A A . 17 LEU O 1 1 17 8102 1 1 19 ALA C C -7.106 5.720 0.387 1.00 . A A . 18 ALA C 1 1 17 8103 1 1 19 ALA CA C -8.232 5.869 -0.628 1.00 . A A . 18 ALA CA 1 1 17 8104 1 1 19 ALA CB C -9.105 7.062 -0.284 1.00 . A A . 18 ALA CB 1 1 17 8105 1 1 19 ALA H H -9.941 4.675 -0.306 1.00 . A A . 18 ALA H 1 1 17 8106 1 1 19 ALA HA H -7.808 6.026 -1.607 1.00 . A A . 18 ALA HA 1 1 17 8107 1 1 19 ALA HB1 H -9.548 6.913 0.691 1.00 . A A . 18 ALA HB1 1 1 17 8108 1 1 19 ALA HB2 H -9.887 7.159 -1.021 1.00 . A A . 18 ALA HB2 1 1 17 8109 1 1 19 ALA HB3 H -8.504 7.958 -0.273 1.00 . A A . 18 ALA HB3 1 1 17 8110 1 1 19 ALA N N -9.033 4.656 -0.671 1.00 . A A . 18 ALA N 1 1 17 8111 1 1 19 ALA O O -5.958 6.088 0.118 1.00 . A A . 18 ALA O 1 1 17 8112 1 1 20 LYS C C -5.420 3.878 2.015 1.00 . A A . 19 LYS C 1 1 17 8113 1 1 20 LYS CA C -6.452 4.854 2.575 1.00 . A A . 19 LYS CA 1 1 17 8114 1 1 20 LYS CB C -7.134 4.248 3.809 1.00 . A A . 19 LYS CB 1 1 17 8115 1 1 20 LYS CD C -5.377 4.875 5.520 1.00 . A A . 19 LYS CD 1 1 17 8116 1 1 20 LYS CE C -6.261 5.745 6.402 1.00 . A A . 19 LYS CE 1 1 17 8117 1 1 20 LYS CG C -6.160 3.743 4.869 1.00 . A A . 19 LYS CG 1 1 17 8118 1 1 20 LYS H H -8.391 4.994 1.737 1.00 . A A . 19 LYS H 1 1 17 8119 1 1 20 LYS HA H -5.954 5.770 2.858 1.00 . A A . 19 LYS HA 1 1 17 8120 1 1 20 LYS HB2 H -7.766 4.999 4.260 1.00 . A A . 19 LYS HB2 1 1 17 8121 1 1 20 LYS HB3 H -7.748 3.418 3.495 1.00 . A A . 19 LYS HB3 1 1 17 8122 1 1 20 LYS HD2 H -4.590 4.452 6.126 1.00 . A A . 19 LYS HD2 1 1 17 8123 1 1 20 LYS HD3 H -4.942 5.489 4.744 1.00 . A A . 19 LYS HD3 1 1 17 8124 1 1 20 LYS HE2 H -5.669 6.560 6.792 1.00 . A A . 19 LYS HE2 1 1 17 8125 1 1 20 LYS HE3 H -7.065 6.143 5.802 1.00 . A A . 19 LYS HE3 1 1 17 8126 1 1 20 LYS HG2 H -6.716 3.219 5.633 1.00 . A A . 19 LYS HG2 1 1 17 8127 1 1 20 LYS HG3 H -5.465 3.060 4.399 1.00 . A A . 19 LYS HG3 1 1 17 8128 1 1 20 LYS HZ1 H -7.388 5.617 8.157 1.00 . A A . 19 LYS HZ1 1 1 17 8129 1 1 20 LYS HZ2 H -6.081 4.546 8.102 1.00 . A A . 19 LYS HZ2 1 1 17 8130 1 1 20 LYS HZ3 H -7.468 4.231 7.190 1.00 . A A . 19 LYS HZ3 1 1 17 8131 1 1 20 LYS N N -7.445 5.175 1.554 1.00 . A A . 19 LYS N 1 1 17 8132 1 1 20 LYS NZ N -6.839 4.981 7.540 1.00 . A A . 19 LYS NZ 1 1 17 8133 1 1 20 LYS O O -4.223 3.998 2.277 1.00 . A A . 19 LYS O 1 1 17 8134 1 1 21 4PH C33 C -2.920 -3.009 -2.947 1.00 . A A . 20 4PH C33 1 1 17 8135 1 1 21 4PH H33 H -2.960 -3.943 -2.409 1.00 . A A . 20 4PH H33 1 1 17 8136 1 1 21 4PH H33A H -3.316 -3.140 -3.942 1.00 . A A . 20 4PH H33A 1 1 17 8137 1 1 21 4PH H33B H -1.891 -2.677 -3.005 1.00 . A A . 20 4PH H33B 1 1 17 8138 1 1 22 GLN C C -2.579 5.096 -1.247 1.00 . A A . 21 GLN C 1 1 17 8139 1 1 22 GLN CA C -3.627 4.319 -2.043 1.00 . A A . 21 GLN CA 1 1 17 8140 1 1 22 GLN CB C -4.444 5.279 -2.912 1.00 . A A . 21 GLN CB 1 1 17 8141 1 1 22 GLN CD C -4.523 3.857 -4.994 1.00 . A A . 21 GLN CD 1 1 17 8142 1 1 22 GLN CG C -5.327 4.578 -3.929 1.00 . A A . 21 GLN CG 1 1 17 8143 1 1 22 GLN H H -5.473 3.736 -1.169 1.00 . A A . 21 GLN H 1 1 17 8144 1 1 22 GLN HA H -3.121 3.612 -2.684 1.00 . A A . 21 GLN HA 1 1 17 8145 1 1 22 GLN HB2 H -5.074 5.877 -2.271 1.00 . A A . 21 GLN HB2 1 1 17 8146 1 1 22 GLN HB3 H -3.766 5.929 -3.443 1.00 . A A . 21 GLN HB3 1 1 17 8147 1 1 22 GLN HE21 H -4.487 2.196 -3.906 1.00 . A A . 21 GLN HE21 1 1 17 8148 1 1 22 GLN HE22 H -3.678 2.113 -5.428 1.00 . A A . 21 GLN HE22 1 1 17 8149 1 1 22 GLN HG2 H -5.948 3.861 -3.413 1.00 . A A . 21 GLN HG2 1 1 17 8150 1 1 22 GLN HG3 H -5.954 5.316 -4.410 1.00 . A A . 21 GLN HG3 1 1 17 8151 1 1 22 GLN N N -4.505 3.559 -1.153 1.00 . A A . 21 GLN N 1 1 17 8152 1 1 22 GLN NE2 N -4.199 2.597 -4.750 1.00 . A A . 21 GLN NE2 1 1 17 8153 1 1 22 GLN O O -1.439 5.256 -1.690 1.00 . A A . 21 GLN O 1 1 17 8154 1 1 22 GLN OE1 O -4.191 4.431 -6.031 1.00 . A A . 21 GLN OE1 1 1 17 8155 1 1 23 ALA C C -0.989 5.362 1.367 1.00 . A A . 22 ALA C 1 1 17 8156 1 1 23 ALA CA C -2.066 6.287 0.814 1.00 . A A . 22 ALA CA 1 1 17 8157 1 1 23 ALA CB C -2.851 6.926 1.944 1.00 . A A . 22 ALA CB 1 1 17 8158 1 1 23 ALA H H -3.893 5.405 0.226 1.00 . A A . 22 ALA H 1 1 17 8159 1 1 23 ALA HA H -1.598 7.072 0.240 1.00 . A A . 22 ALA HA 1 1 17 8160 1 1 23 ALA HB1 H -3.346 6.155 2.517 1.00 . A A . 22 ALA HB1 1 1 17 8161 1 1 23 ALA HB2 H -3.589 7.600 1.534 1.00 . A A . 22 ALA HB2 1 1 17 8162 1 1 23 ALA HB3 H -2.178 7.474 2.584 1.00 . A A . 22 ALA HB3 1 1 17 8163 1 1 23 ALA N N -2.968 5.559 -0.066 1.00 . A A . 22 ALA N 1 1 17 8164 1 1 23 ALA O O 0.166 5.761 1.542 1.00 . A A . 22 ALA O 1 1 17 8165 1 1 24 ASP C C 0.532 2.715 1.028 1.00 . A A . 23 ASP C 1 1 17 8166 1 1 24 ASP CA C -0.438 3.115 2.133 1.00 . A A . 23 ASP CA 1 1 17 8167 1 1 24 ASP CB C -1.184 1.880 2.647 1.00 . A A . 23 ASP CB 1 1 17 8168 1 1 24 ASP CG C -0.345 1.049 3.599 1.00 . A A . 23 ASP CG 1 1 17 8169 1 1 24 ASP H H -2.320 3.880 1.518 1.00 . A A . 23 ASP H 1 1 17 8170 1 1 24 ASP HA H 0.123 3.552 2.943 1.00 . A A . 23 ASP HA 1 1 17 8171 1 1 24 ASP HB2 H -2.080 2.190 3.163 1.00 . A A . 23 ASP HB2 1 1 17 8172 1 1 24 ASP HB3 H -1.455 1.258 1.807 1.00 . A A . 23 ASP HB3 1 1 17 8173 1 1 24 ASP N N -1.375 4.121 1.639 1.00 . A A . 23 ASP N 1 1 17 8174 1 1 24 ASP O O 1.719 2.502 1.275 1.00 . A A . 23 ASP O 1 1 17 8175 1 1 24 ASP OD1 O -0.242 1.414 4.788 1.00 . A A . 23 ASP OD1 1 1 17 8176 1 1 24 ASP OD2 O 0.235 0.033 3.155 1.00 . A A . 23 ASP OD2 1 1 17 8177 1 1 25 LEU C C 1.895 3.441 -1.564 1.00 . A A . 24 LEU C 1 1 17 8178 1 1 25 LEU CA C 0.854 2.352 -1.365 1.00 . A A . 24 LEU CA 1 1 17 8179 1 1 25 LEU CB C 0.016 2.202 -2.643 1.00 . A A . 24 LEU CB 1 1 17 8180 1 1 25 LEU CD1 C 0.580 -0.169 -3.261 1.00 . A A . 24 LEU CD1 1 1 17 8181 1 1 25 LEU CD2 C -1.324 0.292 -1.730 1.00 . A A . 24 LEU CD2 1 1 17 8182 1 1 25 LEU CG C -0.540 0.800 -2.919 1.00 . A A . 24 LEU CG 1 1 17 8183 1 1 25 LEU H H -0.948 2.757 -0.320 1.00 . A A . 24 LEU H 1 1 17 8184 1 1 25 LEU HA H 1.365 1.423 -1.174 1.00 . A A . 24 LEU HA 1 1 17 8185 1 1 25 LEU HB2 H -0.818 2.888 -2.581 1.00 . A A . 24 LEU HB2 1 1 17 8186 1 1 25 LEU HB3 H 0.632 2.489 -3.483 1.00 . A A . 24 LEU HB3 1 1 17 8187 1 1 25 LEU HD11 H 1.278 -0.221 -2.439 1.00 . A A . 24 LEU HD11 1 1 17 8188 1 1 25 LEU HD12 H 1.094 0.171 -4.148 1.00 . A A . 24 LEU HD12 1 1 17 8189 1 1 25 LEU HD13 H 0.163 -1.150 -3.440 1.00 . A A . 24 LEU HD13 1 1 17 8190 1 1 25 LEU HD21 H -0.676 0.244 -0.867 1.00 . A A . 24 LEU HD21 1 1 17 8191 1 1 25 LEU HD22 H -1.709 -0.693 -1.947 1.00 . A A . 24 LEU HD22 1 1 17 8192 1 1 25 LEU HD23 H -2.144 0.964 -1.526 1.00 . A A . 24 LEU HD23 1 1 17 8193 1 1 25 LEU HG H -1.211 0.847 -3.766 1.00 . A A . 24 LEU HG 1 1 17 8194 1 1 25 LEU N N 0.019 2.634 -0.199 1.00 . A A . 24 LEU N 1 1 17 8195 1 1 25 LEU O O 3.003 3.167 -2.013 1.00 . A A . 24 LEU O 1 1 17 8196 1 1 26 ALA C C 3.641 5.575 -0.382 1.00 . A A . 25 ALA C 1 1 17 8197 1 1 26 ALA CA C 2.468 5.786 -1.324 1.00 . A A . 25 ALA CA 1 1 17 8198 1 1 26 ALA CB C 1.764 7.098 -1.022 1.00 . A A . 25 ALA CB 1 1 17 8199 1 1 26 ALA H H 0.622 4.835 -0.905 1.00 . A A . 25 ALA H 1 1 17 8200 1 1 26 ALA HA H 2.838 5.822 -2.338 1.00 . A A . 25 ALA HA 1 1 17 8201 1 1 26 ALA HB1 H 2.464 7.914 -1.129 1.00 . A A . 25 ALA HB1 1 1 17 8202 1 1 26 ALA HB2 H 1.386 7.077 -0.011 1.00 . A A . 25 ALA HB2 1 1 17 8203 1 1 26 ALA HB3 H 0.944 7.233 -1.711 1.00 . A A . 25 ALA HB3 1 1 17 8204 1 1 26 ALA N N 1.535 4.672 -1.225 1.00 . A A . 25 ALA N 1 1 17 8205 1 1 26 ALA O O 4.794 5.802 -0.747 1.00 . A A . 25 ALA O 1 1 17 8206 1 1 27 LYS C C 5.230 3.643 1.291 1.00 . A A . 26 LYS C 1 1 17 8207 1 1 27 LYS CA C 4.375 4.797 1.795 1.00 . A A . 26 LYS CA 1 1 17 8208 1 1 27 LYS CB C 3.758 4.422 3.143 1.00 . A A . 26 LYS CB 1 1 17 8209 1 1 27 LYS CD C 2.479 5.114 5.189 1.00 . A A . 26 LYS CD 1 1 17 8210 1 1 27 LYS CE C 1.482 3.974 5.062 1.00 . A A . 26 LYS CE 1 1 17 8211 1 1 27 LYS CG C 3.003 5.552 3.828 1.00 . A A . 26 LYS CG 1 1 17 8212 1 1 27 LYS H H 2.402 4.965 1.062 1.00 . A A . 26 LYS H 1 1 17 8213 1 1 27 LYS HA H 4.996 5.670 1.917 1.00 . A A . 26 LYS HA 1 1 17 8214 1 1 27 LYS HB2 H 3.070 3.605 2.990 1.00 . A A . 26 LYS HB2 1 1 17 8215 1 1 27 LYS HB3 H 4.544 4.093 3.804 1.00 . A A . 26 LYS HB3 1 1 17 8216 1 1 27 LYS HD2 H 3.310 4.785 5.794 1.00 . A A . 26 LYS HD2 1 1 17 8217 1 1 27 LYS HD3 H 1.995 5.955 5.664 1.00 . A A . 26 LYS HD3 1 1 17 8218 1 1 27 LYS HE2 H 0.581 4.356 4.612 1.00 . A A . 26 LYS HE2 1 1 17 8219 1 1 27 LYS HE3 H 1.905 3.210 4.428 1.00 . A A . 26 LYS HE3 1 1 17 8220 1 1 27 LYS HG2 H 3.669 6.391 3.961 1.00 . A A . 26 LYS HG2 1 1 17 8221 1 1 27 LYS HG3 H 2.170 5.845 3.207 1.00 . A A . 26 LYS HG3 1 1 17 8222 1 1 27 LYS HZ1 H 0.642 4.065 6.970 1.00 . A A . 26 LYS HZ1 1 1 17 8223 1 1 27 LYS HZ2 H 2.002 3.066 6.866 1.00 . A A . 26 LYS HZ2 1 1 17 8224 1 1 27 LYS HZ3 H 0.522 2.545 6.237 1.00 . A A . 26 LYS HZ3 1 1 17 8225 1 1 27 LYS N N 3.342 5.110 0.825 1.00 . A A . 26 LYS N 1 1 17 8226 1 1 27 LYS NZ N 1.137 3.373 6.376 1.00 . A A . 26 LYS NZ 1 1 17 8227 1 1 27 LYS O O 6.454 3.663 1.407 1.00 . A A . 26 LYS O 1 1 17 8228 1 1 28 4PH C33 C 6.413 -3.890 -3.177 1.00 . A A . 27 4PH C33 1 1 17 8229 1 1 28 4PH H33 H 6.696 -4.696 -2.520 1.00 . A A . 27 4PH H33 1 1 17 8230 1 1 28 4PH H33A H 5.683 -4.239 -3.892 1.00 . A A . 27 4PH H33A 1 1 17 8231 1 1 28 4PH H33B H 7.290 -3.530 -3.697 1.00 . A A . 27 4PH H33B 1 1 17 8232 1 1 29 GLN C C 7.486 3.652 -2.967 1.00 . A A . 28 GLN C 1 1 17 8233 1 1 29 GLN CA C 6.320 2.700 -3.211 1.00 . A A . 28 GLN CA 1 1 17 8234 1 1 29 GLN CB C 5.399 3.265 -4.296 1.00 . A A . 28 GLN CB 1 1 17 8235 1 1 29 GLN CD C 3.557 2.798 -5.976 1.00 . A A . 28 GLN CD 1 1 17 8236 1 1 29 GLN CG C 4.393 2.251 -4.836 1.00 . A A . 28 GLN CG 1 1 17 8237 1 1 29 GLN H H 4.648 2.745 -1.900 1.00 . A A . 28 GLN H 1 1 17 8238 1 1 29 GLN HA H 6.720 1.758 -3.554 1.00 . A A . 28 GLN HA 1 1 17 8239 1 1 29 GLN HB2 H 4.848 4.102 -3.885 1.00 . A A . 28 GLN HB2 1 1 17 8240 1 1 29 GLN HB3 H 6.005 3.616 -5.120 1.00 . A A . 28 GLN HB3 1 1 17 8241 1 1 29 GLN HE21 H 3.666 4.632 -5.227 1.00 . A A . 28 GLN HE21 1 1 17 8242 1 1 29 GLN HE22 H 2.775 4.470 -6.694 1.00 . A A . 28 GLN HE22 1 1 17 8243 1 1 29 GLN HG2 H 4.928 1.384 -5.193 1.00 . A A . 28 GLN HG2 1 1 17 8244 1 1 29 GLN HG3 H 3.730 1.956 -4.035 1.00 . A A . 28 GLN HG3 1 1 17 8245 1 1 29 GLN N N 5.581 2.433 -1.981 1.00 . A A . 28 GLN N 1 1 17 8246 1 1 29 GLN NE2 N 3.307 4.095 -5.964 1.00 . A A . 28 GLN NE2 1 1 17 8247 1 1 29 GLN O O 8.560 3.493 -3.552 1.00 . A A . 28 GLN O 1 1 17 8248 1 1 29 GLN OE1 O 3.135 2.053 -6.865 1.00 . A A . 28 GLN OE1 1 1 17 8249 1 1 30 LYS C C 9.450 4.921 -0.998 1.00 . A A . 29 LYS C 1 1 17 8250 1 1 30 LYS CA C 8.323 5.595 -1.779 1.00 . A A . 29 LYS CA 1 1 17 8251 1 1 30 LYS CB C 7.746 6.775 -0.988 1.00 . A A . 29 LYS CB 1 1 17 8252 1 1 30 LYS CD C 9.360 8.480 -1.928 1.00 . A A . 29 LYS CD 1 1 17 8253 1 1 30 LYS CE C 8.325 9.257 -2.729 1.00 . A A . 29 LYS CE 1 1 17 8254 1 1 30 LYS CG C 8.764 7.864 -0.669 1.00 . A A . 29 LYS CG 1 1 17 8255 1 1 30 LYS H H 6.403 4.712 -1.661 1.00 . A A . 29 LYS H 1 1 17 8256 1 1 30 LYS HA H 8.722 5.961 -2.713 1.00 . A A . 29 LYS HA 1 1 17 8257 1 1 30 LYS HB2 H 6.945 7.219 -1.559 1.00 . A A . 29 LYS HB2 1 1 17 8258 1 1 30 LYS HB3 H 7.346 6.404 -0.055 1.00 . A A . 29 LYS HB3 1 1 17 8259 1 1 30 LYS HD2 H 10.156 9.151 -1.645 1.00 . A A . 29 LYS HD2 1 1 17 8260 1 1 30 LYS HD3 H 9.760 7.690 -2.547 1.00 . A A . 29 LYS HD3 1 1 17 8261 1 1 30 LYS HE2 H 7.510 8.596 -2.981 1.00 . A A . 29 LYS HE2 1 1 17 8262 1 1 30 LYS HE3 H 7.953 10.069 -2.121 1.00 . A A . 29 LYS HE3 1 1 17 8263 1 1 30 LYS HG2 H 8.278 8.641 -0.098 1.00 . A A . 29 LYS HG2 1 1 17 8264 1 1 30 LYS HG3 H 9.561 7.433 -0.081 1.00 . A A . 29 LYS HG3 1 1 17 8265 1 1 30 LYS HZ1 H 8.197 10.404 -4.468 1.00 . A A . 29 LYS HZ1 1 1 17 8266 1 1 30 LYS HZ2 H 9.185 9.042 -4.617 1.00 . A A . 29 LYS HZ2 1 1 17 8267 1 1 30 LYS HZ3 H 9.736 10.396 -3.769 1.00 . A A . 29 LYS HZ3 1 1 17 8268 1 1 30 LYS N N 7.279 4.632 -2.096 1.00 . A A . 29 LYS N 1 1 17 8269 1 1 30 LYS NZ N 8.901 9.814 -3.981 1.00 . A A . 29 LYS NZ 1 1 17 8270 1 1 30 LYS O O 10.628 5.166 -1.259 1.00 . A A . 29 LYS O 1 1 17 8271 1 1 31 ASP C C 10.778 2.279 -0.109 1.00 . A A . 30 ASP C 1 1 17 8272 1 1 31 ASP CA C 10.083 3.339 0.742 1.00 . A A . 30 ASP CA 1 1 17 8273 1 1 31 ASP CB C 9.434 2.690 1.974 1.00 . A A . 30 ASP CB 1 1 17 8274 1 1 31 ASP CG C 10.438 1.969 2.852 1.00 . A A . 30 ASP CG 1 1 17 8275 1 1 31 ASP H H 8.130 3.910 0.120 1.00 . A A . 30 ASP H 1 1 17 8276 1 1 31 ASP HA H 10.824 4.055 1.070 1.00 . A A . 30 ASP HA 1 1 17 8277 1 1 31 ASP HB2 H 8.956 3.456 2.568 1.00 . A A . 30 ASP HB2 1 1 17 8278 1 1 31 ASP HB3 H 8.691 1.976 1.651 1.00 . A A . 30 ASP HB3 1 1 17 8279 1 1 31 ASP N N 9.087 4.060 -0.052 1.00 . A A . 30 ASP N 1 1 17 8280 1 1 31 ASP O O 11.975 2.032 0.042 1.00 . A A . 30 ASP O 1 1 17 8281 1 1 31 ASP OD1 O 11.105 2.634 3.671 1.00 . A A . 30 ASP OD1 1 1 17 8282 1 1 31 ASP OD2 O 10.577 0.733 2.713 1.00 . A A . 30 ASP OD2 1 1 17 8283 1 1 32 LEU C C 11.653 1.303 -2.795 1.00 . A A . 31 LEU C 1 1 17 8284 1 1 32 LEU CA C 10.546 0.680 -1.946 1.00 . A A . 31 LEU CA 1 1 17 8285 1 1 32 LEU CB C 9.405 0.163 -2.843 1.00 . A A . 31 LEU CB 1 1 17 8286 1 1 32 LEU CD1 C 10.694 -1.304 -4.445 1.00 . A A . 31 LEU CD1 1 1 17 8287 1 1 32 LEU CD2 C 9.784 -2.260 -2.329 1.00 . A A . 31 LEU CD2 1 1 17 8288 1 1 32 LEU CG C 9.564 -1.245 -3.435 1.00 . A A . 31 LEU CG 1 1 17 8289 1 1 32 LEU H H 9.061 1.898 -1.062 1.00 . A A . 31 LEU H 1 1 17 8290 1 1 32 LEU HA H 10.953 -0.134 -1.371 1.00 . A A . 31 LEU HA 1 1 17 8291 1 1 32 LEU HB2 H 8.493 0.176 -2.263 1.00 . A A . 31 LEU HB2 1 1 17 8292 1 1 32 LEU HB3 H 9.292 0.854 -3.662 1.00 . A A . 31 LEU HB3 1 1 17 8293 1 1 32 LEU HD11 H 10.779 -2.309 -4.832 1.00 . A A . 31 LEU HD11 1 1 17 8294 1 1 32 LEU HD12 H 11.621 -1.024 -3.965 1.00 . A A . 31 LEU HD12 1 1 17 8295 1 1 32 LEU HD13 H 10.489 -0.621 -5.255 1.00 . A A . 31 LEU HD13 1 1 17 8296 1 1 32 LEU HD21 H 9.778 -3.255 -2.747 1.00 . A A . 31 LEU HD21 1 1 17 8297 1 1 32 LEU HD22 H 8.994 -2.167 -1.597 1.00 . A A . 31 LEU HD22 1 1 17 8298 1 1 32 LEU HD23 H 10.736 -2.074 -1.857 1.00 . A A . 31 LEU HD23 1 1 17 8299 1 1 32 LEU HG H 8.652 -1.511 -3.948 1.00 . A A . 31 LEU HG 1 1 17 8300 1 1 32 LEU N N 10.019 1.676 -1.020 1.00 . A A . 31 LEU N 1 1 17 8301 1 1 32 LEU O O 12.664 0.667 -3.089 1.00 . A A . 31 LEU O 1 1 17 8302 1 1 33 ALA C C 13.756 3.440 -3.265 1.00 . A A . 32 ALA C 1 1 17 8303 1 1 33 ALA CA C 12.412 3.298 -3.974 1.00 . A A . 32 ALA CA 1 1 17 8304 1 1 33 ALA CB C 11.851 4.665 -4.322 1.00 . A A . 32 ALA CB 1 1 17 8305 1 1 33 ALA H H 10.631 3.011 -2.881 1.00 . A A . 32 ALA H 1 1 17 8306 1 1 33 ALA HA H 12.557 2.752 -4.892 1.00 . A A . 32 ALA HA 1 1 17 8307 1 1 33 ALA HB1 H 10.896 4.548 -4.812 1.00 . A A . 32 ALA HB1 1 1 17 8308 1 1 33 ALA HB2 H 12.536 5.178 -4.981 1.00 . A A . 32 ALA HB2 1 1 17 8309 1 1 33 ALA HB3 H 11.723 5.239 -3.416 1.00 . A A . 32 ALA HB3 1 1 17 8310 1 1 33 ALA N N 11.454 2.563 -3.162 1.00 . A A . 32 ALA N 1 1 17 8311 1 1 33 ALA O O 14.808 3.418 -3.903 1.00 . A A . 32 ALA O 1 1 17 8312 1 1 34 ASP C C 15.569 2.353 -0.888 1.00 . A A . 33 ASP C 1 1 17 8313 1 1 34 ASP CA C 14.938 3.716 -1.157 1.00 . A A . 33 ASP CA 1 1 17 8314 1 1 34 ASP CB C 14.651 4.428 0.169 1.00 . A A . 33 ASP CB 1 1 17 8315 1 1 34 ASP CG C 15.912 4.675 0.976 1.00 . A A . 33 ASP CG 1 1 17 8316 1 1 34 ASP H H 12.846 3.593 -1.495 1.00 . A A . 33 ASP H 1 1 17 8317 1 1 34 ASP HA H 15.632 4.309 -1.729 1.00 . A A . 33 ASP HA 1 1 17 8318 1 1 34 ASP HB2 H 14.184 5.380 -0.033 1.00 . A A . 33 ASP HB2 1 1 17 8319 1 1 34 ASP HB3 H 13.980 3.821 0.760 1.00 . A A . 33 ASP HB3 1 1 17 8320 1 1 34 ASP N N 13.716 3.579 -1.947 1.00 . A A . 33 ASP N 1 1 17 8321 1 1 34 ASP O O 16.777 2.245 -0.664 1.00 . A A . 33 ASP O 1 1 17 8322 1 1 34 ASP OD1 O 16.600 5.688 0.723 1.00 . A A . 33 ASP OD1 1 1 17 8323 1 1 34 ASP OD2 O 16.222 3.856 1.868 1.00 . A A . 33 ASP OD2 1 1 17 8324 1 1 35 4PH C33 C 15.377 -6.264 1.049 1.00 . A A . 34 4PH C33 1 1 17 8325 1 1 35 4PH H33 H 15.578 -6.822 0.148 1.00 . A A . 34 4PH H33 1 1 17 8326 1 1 35 4PH H33A H 16.250 -6.274 1.685 1.00 . A A . 34 4PH H33A 1 1 17 8327 1 1 35 4PH H33B H 14.542 -6.716 1.567 1.00 . A A . 34 4PH H33B 1 1 17 8328 1 1 36 NH2 HN1 H 17.647 -0.574 -0.961 1.00 . A A . 35 NH2 HN1 1 1 17 8329 1 1 36 NH2 HN2 H 17.685 -1.145 -2.592 1.00 . A A . 35 NH2 HN2 1 1 17 8330 1 1 36 NH2 N N 17.210 -0.791 -1.812 1.00 . A A . 35 NH2 N 1 1 18 8331 1 1 1 ACE C C 13.004 -3.005 5.354 1.00 . A A . 0 ACE C 1 1 18 8332 1 1 1 ACE CH3 C 13.912 -2.253 4.422 1.00 . A A . 0 ACE CH3 1 1 18 8333 1 1 1 ACE H1 H 14.725 -1.824 4.999 1.00 . A A . 0 ACE H1 1 1 18 8334 1 1 1 ACE H2 H 13.361 -1.468 3.941 1.00 . A A . 0 ACE H2 1 1 18 8335 1 1 1 ACE H3 H 14.287 -2.943 3.675 1.00 . A A . 0 ACE H3 1 1 18 8336 1 1 1 ACE O O 12.452 -2.433 6.295 1.00 . A A . 0 ACE O 1 1 18 8337 1 1 2 PRO C C 10.667 -4.351 3.865 1.00 . A A . 1 PRO C 1 1 18 8338 1 1 2 PRO CA C 12.124 -4.813 3.924 1.00 . A A . 1 PRO CA 1 1 18 8339 1 1 2 PRO CB C 12.193 -6.337 4.084 1.00 . A A . 1 PRO CB 1 1 18 8340 1 1 2 PRO CD C 13.334 -5.397 5.959 1.00 . A A . 1 PRO CD 1 1 18 8341 1 1 2 PRO CG C 13.306 -6.586 5.038 1.00 . A A . 1 PRO CG 1 1 18 8342 1 1 2 PRO HA H 12.627 -4.523 3.014 1.00 . A A . 1 PRO HA 1 1 18 8343 1 1 2 PRO HB2 H 11.254 -6.706 4.480 1.00 . A A . 1 PRO HB2 1 1 18 8344 1 1 2 PRO HB3 H 12.407 -6.801 3.135 1.00 . A A . 1 PRO HB3 1 1 18 8345 1 1 2 PRO HD2 H 12.687 -5.556 6.809 1.00 . A A . 1 PRO HD2 1 1 18 8346 1 1 2 PRO HD3 H 14.344 -5.191 6.281 1.00 . A A . 1 PRO HD3 1 1 18 8347 1 1 2 PRO HG2 H 13.115 -7.496 5.595 1.00 . A A . 1 PRO HG2 1 1 18 8348 1 1 2 PRO HG3 H 14.242 -6.658 4.503 1.00 . A A . 1 PRO HG3 1 1 18 8349 1 1 2 PRO N N 12.826 -4.308 5.110 1.00 . A A . 1 PRO N 1 1 18 8350 1 1 2 PRO O O 9.856 -4.714 4.721 1.00 . A A . 1 PRO O 1 1 18 8351 1 1 3 PRO C C 8.028 -4.207 2.208 1.00 . A A . 2 PRO C 1 1 18 8352 1 1 3 PRO CA C 8.944 -3.069 2.659 1.00 . A A . 2 PRO CA 1 1 18 8353 1 1 3 PRO CB C 9.062 -2.017 1.543 1.00 . A A . 2 PRO CB 1 1 18 8354 1 1 3 PRO CD C 11.243 -2.962 1.870 1.00 . A A . 2 PRO CD 1 1 18 8355 1 1 3 PRO CG C 10.515 -1.743 1.377 1.00 . A A . 2 PRO CG 1 1 18 8356 1 1 3 PRO HA H 8.541 -2.613 3.553 1.00 . A A . 2 PRO HA 1 1 18 8357 1 1 3 PRO HB2 H 8.642 -2.413 0.627 1.00 . A A . 2 PRO HB2 1 1 18 8358 1 1 3 PRO HB3 H 8.545 -1.112 1.826 1.00 . A A . 2 PRO HB3 1 1 18 8359 1 1 3 PRO HD2 H 11.411 -3.661 1.062 1.00 . A A . 2 PRO HD2 1 1 18 8360 1 1 3 PRO HD3 H 12.178 -2.680 2.329 1.00 . A A . 2 PRO HD3 1 1 18 8361 1 1 3 PRO HG2 H 10.732 -1.572 0.332 1.00 . A A . 2 PRO HG2 1 1 18 8362 1 1 3 PRO HG3 H 10.794 -0.882 1.966 1.00 . A A . 2 PRO HG3 1 1 18 8363 1 1 3 PRO N N 10.320 -3.525 2.866 1.00 . A A . 2 PRO N 1 1 18 8364 1 1 3 PRO O O 8.353 -4.940 1.271 1.00 . A A . 2 PRO O 1 1 18 8365 1 1 4 THR C C 4.793 -4.809 1.703 1.00 . A A . 3 THR C 1 1 18 8366 1 1 4 THR CA C 5.937 -5.395 2.522 1.00 . A A . 3 THR CA 1 1 18 8367 1 1 4 THR CB C 5.372 -6.084 3.779 1.00 . A A . 3 THR CB 1 1 18 8368 1 1 4 THR CG2 C 6.377 -7.065 4.363 1.00 . A A . 3 THR CG2 1 1 18 8369 1 1 4 THR H H 6.687 -3.756 3.622 1.00 . A A . 3 THR H 1 1 18 8370 1 1 4 THR HA H 6.450 -6.136 1.926 1.00 . A A . 3 THR HA 1 1 18 8371 1 1 4 THR HB H 4.483 -6.630 3.500 1.00 . A A . 3 THR HB 1 1 18 8372 1 1 4 THR HG1 H 4.214 -4.648 4.487 1.00 . A A . 3 THR HG1 1 1 18 8373 1 1 4 THR HG21 H 6.617 -7.815 3.624 1.00 . A A . 3 THR HG21 1 1 18 8374 1 1 4 THR HG22 H 5.950 -7.541 5.233 1.00 . A A . 3 THR HG22 1 1 18 8375 1 1 4 THR HG23 H 7.275 -6.538 4.645 1.00 . A A . 3 THR HG23 1 1 18 8376 1 1 4 THR N N 6.895 -4.360 2.876 1.00 . A A . 3 THR N 1 1 18 8377 1 1 4 THR O O 4.101 -3.894 2.155 1.00 . A A . 3 THR O 1 1 18 8378 1 1 4 THR OG1 O 5.024 -5.099 4.763 1.00 . A A . 3 THR OG1 1 1 18 8379 1 1 5 LYS C C 2.171 -5.295 0.093 1.00 . A A . 4 LYS C 1 1 18 8380 1 1 5 LYS CA C 3.546 -4.818 -0.369 1.00 . A A . 4 LYS CA 1 1 18 8381 1 1 5 LYS CB C 3.800 -5.164 -1.855 1.00 . A A . 4 LYS CB 1 1 18 8382 1 1 5 LYS CD C 3.011 -7.567 -2.013 1.00 . A A . 4 LYS CD 1 1 18 8383 1 1 5 LYS CE C 3.428 -9.006 -2.253 1.00 . A A . 4 LYS CE 1 1 18 8384 1 1 5 LYS CG C 4.183 -6.612 -2.163 1.00 . A A . 4 LYS CG 1 1 18 8385 1 1 5 LYS H H 5.154 -6.077 0.207 1.00 . A A . 4 LYS H 1 1 18 8386 1 1 5 LYS HA H 3.566 -3.742 -0.269 1.00 . A A . 4 LYS HA 1 1 18 8387 1 1 5 LYS HB2 H 2.905 -4.940 -2.414 1.00 . A A . 4 LYS HB2 1 1 18 8388 1 1 5 LYS HB3 H 4.595 -4.528 -2.216 1.00 . A A . 4 LYS HB3 1 1 18 8389 1 1 5 LYS HD2 H 2.614 -7.480 -1.013 1.00 . A A . 4 LYS HD2 1 1 18 8390 1 1 5 LYS HD3 H 2.247 -7.299 -2.729 1.00 . A A . 4 LYS HD3 1 1 18 8391 1 1 5 LYS HE2 H 3.800 -9.097 -3.262 1.00 . A A . 4 LYS HE2 1 1 18 8392 1 1 5 LYS HE3 H 4.212 -9.260 -1.555 1.00 . A A . 4 LYS HE3 1 1 18 8393 1 1 5 LYS HG2 H 4.538 -6.663 -3.183 1.00 . A A . 4 LYS HG2 1 1 18 8394 1 1 5 LYS HG3 H 4.973 -6.913 -1.497 1.00 . A A . 4 LYS HG3 1 1 18 8395 1 1 5 LYS HZ1 H 2.614 -10.924 -2.219 1.00 . A A . 4 LYS HZ1 1 1 18 8396 1 1 5 LYS HZ2 H 1.539 -9.737 -2.753 1.00 . A A . 4 LYS HZ2 1 1 18 8397 1 1 5 LYS HZ3 H 1.909 -9.864 -1.107 1.00 . A A . 4 LYS HZ3 1 1 18 8398 1 1 5 LYS N N 4.596 -5.327 0.501 1.00 . A A . 4 LYS N 1 1 18 8399 1 1 5 LYS NZ N 2.294 -9.948 -2.071 1.00 . A A . 4 LYS NZ 1 1 18 8400 1 1 5 LYS O O 2.001 -6.442 0.507 1.00 . A A . 4 LYS O 1 1 18 8401 1 1 6 PRO C C -0.973 -5.388 -0.656 1.00 . A A . 5 PRO C 1 1 18 8402 1 1 6 PRO CA C -0.189 -4.716 0.470 1.00 . A A . 5 PRO CA 1 1 18 8403 1 1 6 PRO CB C -0.765 -3.343 0.791 1.00 . A A . 5 PRO CB 1 1 18 8404 1 1 6 PRO CD C 1.333 -2.970 -0.295 1.00 . A A . 5 PRO CD 1 1 18 8405 1 1 6 PRO CG C -0.052 -2.409 -0.122 1.00 . A A . 5 PRO CG 1 1 18 8406 1 1 6 PRO HA H -0.218 -5.339 1.351 1.00 . A A . 5 PRO HA 1 1 18 8407 1 1 6 PRO HB2 H -1.829 -3.339 0.607 1.00 . A A . 5 PRO HB2 1 1 18 8408 1 1 6 PRO HB3 H -0.561 -3.085 1.816 1.00 . A A . 5 PRO HB3 1 1 18 8409 1 1 6 PRO HD2 H 1.651 -2.874 -1.323 1.00 . A A . 5 PRO HD2 1 1 18 8410 1 1 6 PRO HD3 H 2.030 -2.472 0.365 1.00 . A A . 5 PRO HD3 1 1 18 8411 1 1 6 PRO HG2 H -0.563 -2.367 -1.074 1.00 . A A . 5 PRO HG2 1 1 18 8412 1 1 6 PRO HG3 H 0.000 -1.426 0.320 1.00 . A A . 5 PRO HG3 1 1 18 8413 1 1 6 PRO N N 1.184 -4.394 0.079 1.00 . A A . 5 PRO N 1 1 18 8414 1 1 6 PRO O O -0.617 -5.273 -1.832 1.00 . A A . 5 PRO O 1 1 18 8415 1 1 7 THR C C -4.021 -5.939 -1.737 1.00 . A A . 6 THR C 1 1 18 8416 1 1 7 THR CA C -2.854 -6.803 -1.260 1.00 . A A . 6 THR CA 1 1 18 8417 1 1 7 THR CB C -3.385 -8.130 -0.668 1.00 . A A . 6 THR CB 1 1 18 8418 1 1 7 THR CG2 C -4.363 -7.876 0.468 1.00 . A A . 6 THR CG2 1 1 18 8419 1 1 7 THR H H -2.283 -6.120 0.657 1.00 . A A . 6 THR H 1 1 18 8420 1 1 7 THR HA H -2.231 -7.039 -2.109 1.00 . A A . 6 THR HA 1 1 18 8421 1 1 7 THR HB H -2.547 -8.686 -0.278 1.00 . A A . 6 THR HB 1 1 18 8422 1 1 7 THR HG1 H -3.940 -9.851 -1.463 1.00 . A A . 6 THR HG1 1 1 18 8423 1 1 7 THR HG21 H -4.727 -8.820 0.845 1.00 . A A . 6 THR HG21 1 1 18 8424 1 1 7 THR HG22 H -5.192 -7.288 0.102 1.00 . A A . 6 THR HG22 1 1 18 8425 1 1 7 THR HG23 H -3.863 -7.340 1.261 1.00 . A A . 6 THR HG23 1 1 18 8426 1 1 7 THR N N -2.039 -6.085 -0.291 1.00 . A A . 6 THR N 1 1 18 8427 1 1 7 THR O O -4.431 -4.998 -1.053 1.00 . A A . 6 THR O 1 1 18 8428 1 1 7 THR OG1 O -4.028 -8.913 -1.682 1.00 . A A . 6 THR OG1 1 1 18 8429 1 1 8 LYS C C -6.922 -5.709 -2.694 1.00 . A A . 7 LYS C 1 1 18 8430 1 1 8 LYS CA C -5.644 -5.516 -3.510 1.00 . A A . 7 LYS CA 1 1 18 8431 1 1 8 LYS CB C -5.880 -5.970 -4.956 1.00 . A A . 7 LYS CB 1 1 18 8432 1 1 8 LYS CD C -4.207 -4.401 -6.009 1.00 . A A . 7 LYS CD 1 1 18 8433 1 1 8 LYS CE C -3.072 -4.264 -7.016 1.00 . A A . 7 LYS CE 1 1 18 8434 1 1 8 LYS CG C -4.661 -5.845 -5.862 1.00 . A A . 7 LYS CG 1 1 18 8435 1 1 8 LYS H H -4.177 -7.039 -3.390 1.00 . A A . 7 LYS H 1 1 18 8436 1 1 8 LYS HA H -5.382 -4.470 -3.509 1.00 . A A . 7 LYS HA 1 1 18 8437 1 1 8 LYS HB2 H -6.187 -7.002 -4.947 1.00 . A A . 7 LYS HB2 1 1 18 8438 1 1 8 LYS HB3 H -6.675 -5.374 -5.379 1.00 . A A . 7 LYS HB3 1 1 18 8439 1 1 8 LYS HD2 H -5.043 -3.801 -6.340 1.00 . A A . 7 LYS HD2 1 1 18 8440 1 1 8 LYS HD3 H -3.865 -4.045 -5.049 1.00 . A A . 7 LYS HD3 1 1 18 8441 1 1 8 LYS HE2 H -3.432 -4.569 -7.987 1.00 . A A . 7 LYS HE2 1 1 18 8442 1 1 8 LYS HE3 H -2.769 -3.228 -7.056 1.00 . A A . 7 LYS HE3 1 1 18 8443 1 1 8 LYS HG2 H -3.853 -6.422 -5.440 1.00 . A A . 7 LYS HG2 1 1 18 8444 1 1 8 LYS HG3 H -4.911 -6.235 -6.838 1.00 . A A . 7 LYS HG3 1 1 18 8445 1 1 8 LYS HZ1 H -1.580 -4.880 -5.689 1.00 . A A . 7 LYS HZ1 1 1 18 8446 1 1 8 LYS HZ2 H -1.111 -4.915 -7.311 1.00 . A A . 7 LYS HZ2 1 1 18 8447 1 1 8 LYS HZ3 H -2.141 -6.109 -6.706 1.00 . A A . 7 LYS HZ3 1 1 18 8448 1 1 8 LYS N N -4.539 -6.262 -2.915 1.00 . A A . 7 LYS N 1 1 18 8449 1 1 8 LYS NZ N -1.895 -5.099 -6.654 1.00 . A A . 7 LYS NZ 1 1 18 8450 1 1 8 LYS O O -7.375 -6.840 -2.504 1.00 . A A . 7 LYS O 1 1 18 8451 1 1 9 PRO C C -9.882 -5.370 -2.124 1.00 . A A . 8 PRO C 1 1 18 8452 1 1 9 PRO CA C -8.745 -4.655 -1.400 1.00 . A A . 8 PRO CA 1 1 18 8453 1 1 9 PRO CB C -9.094 -3.179 -1.195 1.00 . A A . 8 PRO CB 1 1 18 8454 1 1 9 PRO CD C -7.002 -3.232 -2.335 1.00 . A A . 8 PRO CD 1 1 18 8455 1 1 9 PRO CG C -7.806 -2.453 -1.329 1.00 . A A . 8 PRO CG 1 1 18 8456 1 1 9 PRO HA H -8.584 -5.127 -0.442 1.00 . A A . 8 PRO HA 1 1 18 8457 1 1 9 PRO HB2 H -9.798 -2.859 -1.956 1.00 . A A . 8 PRO HB2 1 1 18 8458 1 1 9 PRO HB3 H -9.510 -3.027 -0.210 1.00 . A A . 8 PRO HB3 1 1 18 8459 1 1 9 PRO HD2 H -7.182 -2.861 -3.334 1.00 . A A . 8 PRO HD2 1 1 18 8460 1 1 9 PRO HD3 H -5.947 -3.182 -2.096 1.00 . A A . 8 PRO HD3 1 1 18 8461 1 1 9 PRO HG2 H -7.990 -1.447 -1.685 1.00 . A A . 8 PRO HG2 1 1 18 8462 1 1 9 PRO HG3 H -7.289 -2.428 -0.380 1.00 . A A . 8 PRO HG3 1 1 18 8463 1 1 9 PRO N N -7.508 -4.609 -2.190 1.00 . A A . 8 PRO N 1 1 18 8464 1 1 9 PRO O O -10.242 -5.015 -3.247 1.00 . A A . 8 PRO O 1 1 18 8465 1 1 10 GLY C C -12.850 -6.710 -1.405 1.00 . A A . 9 GLY C 1 1 18 8466 1 1 10 GLY CA C -11.538 -7.124 -2.033 1.00 . A A . 9 GLY CA 1 1 18 8467 1 1 10 GLY H H -10.058 -6.646 -0.603 1.00 . A A . 9 GLY H 1 1 18 8468 1 1 10 GLY HA2 H -11.584 -6.938 -3.095 1.00 . A A . 9 GLY HA2 1 1 18 8469 1 1 10 GLY HA3 H -11.387 -8.180 -1.867 1.00 . A A . 9 GLY HA3 1 1 18 8470 1 1 10 GLY N N -10.420 -6.391 -1.479 1.00 . A A . 9 GLY N 1 1 18 8471 1 1 10 GLY O O -13.676 -6.060 -2.044 1.00 . A A . 9 GLY O 1 1 18 8472 1 1 11 ASP C C -14.073 -5.436 1.367 1.00 . A A . 10 ASP C 1 1 18 8473 1 1 11 ASP CA C -14.255 -6.733 0.584 1.00 . A A . 10 ASP CA 1 1 18 8474 1 1 11 ASP CB C -14.651 -7.873 1.529 1.00 . A A . 10 ASP CB 1 1 18 8475 1 1 11 ASP CG C -13.682 -8.057 2.680 1.00 . A A . 10 ASP CG 1 1 18 8476 1 1 11 ASP H H -12.332 -7.584 0.314 1.00 . A A . 10 ASP H 1 1 18 8477 1 1 11 ASP HA H -15.042 -6.591 -0.143 1.00 . A A . 10 ASP HA 1 1 18 8478 1 1 11 ASP HB2 H -15.627 -7.665 1.938 1.00 . A A . 10 ASP HB2 1 1 18 8479 1 1 11 ASP HB3 H -14.691 -8.796 0.969 1.00 . A A . 10 ASP HB3 1 1 18 8480 1 1 11 ASP N N -13.033 -7.070 -0.143 1.00 . A A . 10 ASP N 1 1 18 8481 1 1 11 ASP O O -15.045 -4.796 1.772 1.00 . A A . 10 ASP O 1 1 18 8482 1 1 11 ASP OD1 O -13.949 -7.529 3.782 1.00 . A A . 10 ASP OD1 1 1 18 8483 1 1 11 ASP OD2 O -12.641 -8.717 2.488 1.00 . A A . 10 ASP OD2 1 1 18 8484 1 1 12 ASN C C -12.311 -2.672 1.238 1.00 . A A . 11 ASN C 1 1 18 8485 1 1 12 ASN CA C -12.495 -3.797 2.249 1.00 . A A . 11 ASN CA 1 1 18 8486 1 1 12 ASN CB C -11.234 -3.935 3.114 1.00 . A A . 11 ASN CB 1 1 18 8487 1 1 12 ASN CG C -9.984 -4.259 2.315 1.00 . A A . 11 ASN CG 1 1 18 8488 1 1 12 ASN H H -12.086 -5.623 1.255 1.00 . A A . 11 ASN H 1 1 18 8489 1 1 12 ASN HA H -13.330 -3.550 2.886 1.00 . A A . 11 ASN HA 1 1 18 8490 1 1 12 ASN HB2 H -11.068 -3.006 3.637 1.00 . A A . 11 ASN HB2 1 1 18 8491 1 1 12 ASN HB3 H -11.389 -4.721 3.837 1.00 . A A . 11 ASN HB3 1 1 18 8492 1 1 12 ASN HD21 H -8.869 -3.190 3.564 1.00 . A A . 11 ASN HD21 1 1 18 8493 1 1 12 ASN HD22 H -8.023 -3.941 2.265 1.00 . A A . 11 ASN HD22 1 1 18 8494 1 1 12 ASN N N -12.820 -5.048 1.567 1.00 . A A . 11 ASN N 1 1 18 8495 1 1 12 ASN ND2 N -8.845 -3.745 2.759 1.00 . A A . 11 ASN ND2 1 1 18 8496 1 1 12 ASN O O -11.860 -1.584 1.581 1.00 . A A . 11 ASN O 1 1 18 8497 1 1 12 ASN OD1 O -10.037 -4.963 1.308 1.00 . A A . 11 ASN OD1 1 1 18 8498 1 1 13 ALA C C -13.523 -0.868 -1.068 1.00 . A A . 12 ALA C 1 1 18 8499 1 1 13 ALA CA C -12.502 -2.006 -1.112 1.00 . A A . 12 ALA CA 1 1 18 8500 1 1 13 ALA CB C -12.584 -2.739 -2.439 1.00 . A A . 12 ALA CB 1 1 18 8501 1 1 13 ALA H H -13.070 -3.821 -0.199 1.00 . A A . 12 ALA H 1 1 18 8502 1 1 13 ALA HA H -11.514 -1.584 -1.030 1.00 . A A . 12 ALA HA 1 1 18 8503 1 1 13 ALA HB1 H -13.580 -3.132 -2.574 1.00 . A A . 12 ALA HB1 1 1 18 8504 1 1 13 ALA HB2 H -11.872 -3.553 -2.444 1.00 . A A . 12 ALA HB2 1 1 18 8505 1 1 13 ALA HB3 H -12.353 -2.054 -3.242 1.00 . A A . 12 ALA HB3 1 1 18 8506 1 1 13 ALA N N -12.670 -2.950 -0.009 1.00 . A A . 12 ALA N 1 1 18 8507 1 1 13 ALA O O -13.876 -0.302 -2.104 1.00 . A A . 12 ALA O 1 1 18 8508 1 1 14 THR C C -14.215 1.863 -0.149 1.00 . A A . 13 THR C 1 1 18 8509 1 1 14 THR CA C -14.903 0.581 0.311 1.00 . A A . 13 THR CA 1 1 18 8510 1 1 14 THR CB C -15.315 0.726 1.789 1.00 . A A . 13 THR CB 1 1 18 8511 1 1 14 THR CG2 C -16.181 -0.442 2.226 1.00 . A A . 13 THR CG2 1 1 18 8512 1 1 14 THR H H -13.726 -1.068 0.903 1.00 . A A . 13 THR H 1 1 18 8513 1 1 14 THR HA H -15.791 0.419 -0.280 1.00 . A A . 13 THR HA 1 1 18 8514 1 1 14 THR HB H -15.885 1.637 1.900 1.00 . A A . 13 THR HB 1 1 18 8515 1 1 14 THR HG1 H -14.330 0.390 3.472 1.00 . A A . 13 THR HG1 1 1 18 8516 1 1 14 THR HG21 H -15.616 -1.358 2.155 1.00 . A A . 13 THR HG21 1 1 18 8517 1 1 14 THR HG22 H -17.046 -0.503 1.585 1.00 . A A . 13 THR HG22 1 1 18 8518 1 1 14 THR HG23 H -16.499 -0.291 3.247 1.00 . A A . 13 THR HG23 1 1 18 8519 1 1 14 THR N N -14.007 -0.550 0.124 1.00 . A A . 13 THR N 1 1 18 8520 1 1 14 THR O O -13.005 2.002 0.016 1.00 . A A . 13 THR O 1 1 18 8521 1 1 14 THR OG1 O -14.148 0.802 2.620 1.00 . A A . 13 THR OG1 1 1 18 8522 1 1 15 PRO C C -13.535 4.773 -0.181 1.00 . A A . 14 PRO C 1 1 18 8523 1 1 15 PRO CA C -14.401 4.078 -1.231 1.00 . A A . 14 PRO CA 1 1 18 8524 1 1 15 PRO CB C -15.643 4.919 -1.533 1.00 . A A . 14 PRO CB 1 1 18 8525 1 1 15 PRO CD C -16.409 2.696 -1.032 1.00 . A A . 14 PRO CD 1 1 18 8526 1 1 15 PRO CG C -16.721 3.938 -1.832 1.00 . A A . 14 PRO CG 1 1 18 8527 1 1 15 PRO HA H -13.825 3.937 -2.134 1.00 . A A . 14 PRO HA 1 1 18 8528 1 1 15 PRO HB2 H -15.896 5.519 -0.667 1.00 . A A . 14 PRO HB2 1 1 18 8529 1 1 15 PRO HB3 H -15.469 5.552 -2.387 1.00 . A A . 14 PRO HB3 1 1 18 8530 1 1 15 PRO HD2 H -16.978 2.682 -0.115 1.00 . A A . 14 PRO HD2 1 1 18 8531 1 1 15 PRO HD3 H -16.616 1.811 -1.615 1.00 . A A . 14 PRO HD3 1 1 18 8532 1 1 15 PRO HG2 H -17.678 4.350 -1.536 1.00 . A A . 14 PRO HG2 1 1 18 8533 1 1 15 PRO HG3 H -16.723 3.707 -2.889 1.00 . A A . 14 PRO HG3 1 1 18 8534 1 1 15 PRO N N -14.963 2.807 -0.751 1.00 . A A . 14 PRO N 1 1 18 8535 1 1 15 PRO O O -12.597 5.502 -0.508 1.00 . A A . 14 PRO O 1 1 18 8536 1 1 16 GLU C C -11.733 4.483 2.324 1.00 . A A . 15 GLU C 1 1 18 8537 1 1 16 GLU CA C -13.124 5.108 2.195 1.00 . A A . 15 GLU CA 1 1 18 8538 1 1 16 GLU CB C -13.916 4.891 3.484 1.00 . A A . 15 GLU CB 1 1 18 8539 1 1 16 GLU CD C -16.176 4.974 4.592 1.00 . A A . 15 GLU CD 1 1 18 8540 1 1 16 GLU CG C -15.335 5.426 3.420 1.00 . A A . 15 GLU CG 1 1 18 8541 1 1 16 GLU H H -14.602 3.927 1.269 1.00 . A A . 15 GLU H 1 1 18 8542 1 1 16 GLU HA H -13.021 6.166 2.016 1.00 . A A . 15 GLU HA 1 1 18 8543 1 1 16 GLU HB2 H -13.966 3.834 3.689 1.00 . A A . 15 GLU HB2 1 1 18 8544 1 1 16 GLU HB3 H -13.405 5.386 4.296 1.00 . A A . 15 GLU HB3 1 1 18 8545 1 1 16 GLU HG2 H -15.302 6.505 3.413 1.00 . A A . 15 GLU HG2 1 1 18 8546 1 1 16 GLU HG3 H -15.794 5.074 2.509 1.00 . A A . 15 GLU HG3 1 1 18 8547 1 1 16 GLU N N -13.853 4.527 1.081 1.00 . A A . 15 GLU N 1 1 18 8548 1 1 16 GLU O O -10.721 5.186 2.350 1.00 . A A . 15 GLU O 1 1 18 8549 1 1 16 GLU OE1 O -16.865 3.942 4.470 1.00 . A A . 15 GLU OE1 1 1 18 8550 1 1 16 GLU OE2 O -16.149 5.646 5.645 1.00 . A A . 15 GLU OE2 1 1 18 8551 1 1 17 LYS C C -9.643 2.343 1.300 1.00 . A A . 16 LYS C 1 1 18 8552 1 1 17 LYS CA C -10.447 2.433 2.592 1.00 . A A . 16 LYS CA 1 1 18 8553 1 1 17 LYS CB C -10.745 1.028 3.132 1.00 . A A . 16 LYS CB 1 1 18 8554 1 1 17 LYS CD C -8.749 0.846 4.653 1.00 . A A . 16 LYS CD 1 1 18 8555 1 1 17 LYS CE C -7.580 -0.021 5.092 1.00 . A A . 16 LYS CE 1 1 18 8556 1 1 17 LYS CG C -9.507 0.219 3.493 1.00 . A A . 16 LYS CG 1 1 18 8557 1 1 17 LYS H H -12.518 2.649 2.247 1.00 . A A . 16 LYS H 1 1 18 8558 1 1 17 LYS HA H -9.872 2.979 3.325 1.00 . A A . 16 LYS HA 1 1 18 8559 1 1 17 LYS HB2 H -11.352 1.123 4.023 1.00 . A A . 16 LYS HB2 1 1 18 8560 1 1 17 LYS HB3 H -11.301 0.479 2.383 1.00 . A A . 16 LYS HB3 1 1 18 8561 1 1 17 LYS HD2 H -8.373 1.809 4.345 1.00 . A A . 16 LYS HD2 1 1 18 8562 1 1 17 LYS HD3 H -9.426 0.969 5.484 1.00 . A A . 16 LYS HD3 1 1 18 8563 1 1 17 LYS HE2 H -7.956 -0.990 5.384 1.00 . A A . 16 LYS HE2 1 1 18 8564 1 1 17 LYS HE3 H -6.901 -0.135 4.259 1.00 . A A . 16 LYS HE3 1 1 18 8565 1 1 17 LYS HG2 H -9.808 -0.780 3.770 1.00 . A A . 16 LYS HG2 1 1 18 8566 1 1 17 LYS HG3 H -8.855 0.173 2.631 1.00 . A A . 16 LYS HG3 1 1 18 8567 1 1 17 LYS HZ1 H -6.399 1.471 5.951 1.00 . A A . 16 LYS HZ1 1 1 18 8568 1 1 17 LYS HZ2 H -6.101 -0.073 6.566 1.00 . A A . 16 LYS HZ2 1 1 18 8569 1 1 17 LYS HZ3 H -7.496 0.765 7.026 1.00 . A A . 16 LYS HZ3 1 1 18 8570 1 1 17 LYS N N -11.692 3.157 2.374 1.00 . A A . 16 LYS N 1 1 18 8571 1 1 17 LYS NZ N -6.843 0.577 6.238 1.00 . A A . 16 LYS NZ 1 1 18 8572 1 1 17 LYS O O -8.415 2.294 1.327 1.00 . A A . 16 LYS O 1 1 18 8573 1 1 18 LEU C C -8.807 3.443 -1.387 1.00 . A A . 17 LEU C 1 1 18 8574 1 1 18 LEU CA C -9.713 2.241 -1.134 1.00 . A A . 17 LEU CA 1 1 18 8575 1 1 18 LEU CB C -10.788 2.141 -2.220 1.00 . A A . 17 LEU CB 1 1 18 8576 1 1 18 LEU CD1 C -9.509 0.536 -3.653 1.00 . A A . 17 LEU CD1 1 1 18 8577 1 1 18 LEU CD2 C -11.465 1.764 -4.583 1.00 . A A . 17 LEU CD2 1 1 18 8578 1 1 18 LEU CG C -10.288 1.839 -3.630 1.00 . A A . 17 LEU CG 1 1 18 8579 1 1 18 LEU H H -11.325 2.412 0.225 1.00 . A A . 17 LEU H 1 1 18 8580 1 1 18 LEU HA H -9.117 1.343 -1.145 1.00 . A A . 17 LEU HA 1 1 18 8581 1 1 18 LEU HB2 H -11.479 1.358 -1.939 1.00 . A A . 17 LEU HB2 1 1 18 8582 1 1 18 LEU HB3 H -11.324 3.077 -2.248 1.00 . A A . 17 LEU HB3 1 1 18 8583 1 1 18 LEU HD11 H -8.623 0.638 -3.047 1.00 . A A . 17 LEU HD11 1 1 18 8584 1 1 18 LEU HD12 H -9.229 0.301 -4.669 1.00 . A A . 17 LEU HD12 1 1 18 8585 1 1 18 LEU HD13 H -10.127 -0.258 -3.256 1.00 . A A . 17 LEU HD13 1 1 18 8586 1 1 18 LEU HD21 H -12.140 0.986 -4.254 1.00 . A A . 17 LEU HD21 1 1 18 8587 1 1 18 LEU HD22 H -11.110 1.538 -5.577 1.00 . A A . 17 LEU HD22 1 1 18 8588 1 1 18 LEU HD23 H -11.983 2.711 -4.590 1.00 . A A . 17 LEU HD23 1 1 18 8589 1 1 18 LEU HG H -9.635 2.633 -3.959 1.00 . A A . 17 LEU HG 1 1 18 8590 1 1 18 LEU N N -10.344 2.344 0.174 1.00 . A A . 17 LEU N 1 1 18 8591 1 1 18 LEU O O -7.715 3.310 -1.942 1.00 . A A . 17 LEU O 1 1 18 8592 1 1 19 ALA C C -7.285 5.825 -0.176 1.00 . A A . 18 ALA C 1 1 18 8593 1 1 19 ALA CA C -8.496 5.834 -1.098 1.00 . A A . 18 ALA CA 1 1 18 8594 1 1 19 ALA CB C -9.376 7.038 -0.810 1.00 . A A . 18 ALA CB 1 1 18 8595 1 1 19 ALA H H -10.138 4.647 -0.518 1.00 . A A . 18 ALA H 1 1 18 8596 1 1 19 ALA HA H -8.157 5.897 -2.122 1.00 . A A . 18 ALA HA 1 1 18 8597 1 1 19 ALA HB1 H -10.216 7.038 -1.487 1.00 . A A . 18 ALA HB1 1 1 18 8598 1 1 19 ALA HB2 H -8.804 7.943 -0.947 1.00 . A A . 18 ALA HB2 1 1 18 8599 1 1 19 ALA HB3 H -9.734 6.986 0.207 1.00 . A A . 18 ALA HB3 1 1 18 8600 1 1 19 ALA N N -9.261 4.609 -0.951 1.00 . A A . 18 ALA N 1 1 18 8601 1 1 19 ALA O O -6.179 6.197 -0.574 1.00 . A A . 18 ALA O 1 1 18 8602 1 1 20 LYS C C -5.420 4.204 1.581 1.00 . A A . 19 LYS C 1 1 18 8603 1 1 20 LYS CA C -6.416 5.273 2.022 1.00 . A A . 19 LYS CA 1 1 18 8604 1 1 20 LYS CB C -6.963 4.947 3.414 1.00 . A A . 19 LYS CB 1 1 18 8605 1 1 20 LYS CD C -6.467 4.669 5.871 1.00 . A A . 19 LYS CD 1 1 18 8606 1 1 20 LYS CE C -7.405 5.767 6.349 1.00 . A A . 19 LYS CE 1 1 18 8607 1 1 20 LYS CG C -5.895 4.970 4.496 1.00 . A A . 19 LYS CG 1 1 18 8608 1 1 20 LYS H H -8.407 5.126 1.324 1.00 . A A . 19 LYS H 1 1 18 8609 1 1 20 LYS HA H -5.911 6.227 2.058 1.00 . A A . 19 LYS HA 1 1 18 8610 1 1 20 LYS HB2 H -7.725 5.668 3.669 1.00 . A A . 19 LYS HB2 1 1 18 8611 1 1 20 LYS HB3 H -7.403 3.960 3.395 1.00 . A A . 19 LYS HB3 1 1 18 8612 1 1 20 LYS HD2 H -7.016 3.740 5.824 1.00 . A A . 19 LYS HD2 1 1 18 8613 1 1 20 LYS HD3 H -5.654 4.572 6.574 1.00 . A A . 19 LYS HD3 1 1 18 8614 1 1 20 LYS HE2 H -6.875 6.707 6.336 1.00 . A A . 19 LYS HE2 1 1 18 8615 1 1 20 LYS HE3 H -8.248 5.821 5.675 1.00 . A A . 19 LYS HE3 1 1 18 8616 1 1 20 LYS HG2 H -5.147 4.228 4.260 1.00 . A A . 19 LYS HG2 1 1 18 8617 1 1 20 LYS HG3 H -5.437 5.949 4.513 1.00 . A A . 19 LYS HG3 1 1 18 8618 1 1 20 LYS HZ1 H -8.528 6.285 8.030 1.00 . A A . 19 LYS HZ1 1 1 18 8619 1 1 20 LYS HZ2 H -7.105 5.448 8.389 1.00 . A A . 19 LYS HZ2 1 1 18 8620 1 1 20 LYS HZ3 H -8.436 4.619 7.757 1.00 . A A . 19 LYS HZ3 1 1 18 8621 1 1 20 LYS N N -7.498 5.380 1.057 1.00 . A A . 19 LYS N 1 1 18 8622 1 1 20 LYS NZ N -7.903 5.512 7.725 1.00 . A A . 19 LYS NZ 1 1 18 8623 1 1 20 LYS O O -4.222 4.306 1.847 1.00 . A A . 19 LYS O 1 1 18 8624 1 1 21 4PH C33 C -2.924 -2.825 -3.083 1.00 . A A . 20 4PH C33 1 1 18 8625 1 1 21 4PH H33 H -3.470 -3.748 -3.186 1.00 . A A . 20 4PH H33 1 1 18 8626 1 1 21 4PH H33A H -2.670 -2.440 -4.060 1.00 . A A . 20 4PH H33A 1 1 18 8627 1 1 21 4PH H33B H -2.020 -3.011 -2.518 1.00 . A A . 20 4PH H33B 1 1 18 8628 1 1 22 GLN C C -2.637 5.044 -1.801 1.00 . A A . 21 GLN C 1 1 18 8629 1 1 22 GLN CA C -3.717 4.235 -2.512 1.00 . A A . 21 GLN CA 1 1 18 8630 1 1 22 GLN CB C -4.538 5.131 -3.441 1.00 . A A . 21 GLN CB 1 1 18 8631 1 1 22 GLN CD C -4.690 3.495 -5.359 1.00 . A A . 21 GLN CD 1 1 18 8632 1 1 22 GLN CG C -5.457 4.351 -4.367 1.00 . A A . 21 GLN CG 1 1 18 8633 1 1 22 GLN H H -5.546 3.777 -1.541 1.00 . A A . 21 GLN H 1 1 18 8634 1 1 22 GLN HA H -3.238 3.466 -3.101 1.00 . A A . 21 GLN HA 1 1 18 8635 1 1 22 GLN HB2 H -5.143 5.797 -2.843 1.00 . A A . 21 GLN HB2 1 1 18 8636 1 1 22 GLN HB3 H -3.863 5.717 -4.048 1.00 . A A . 21 GLN HB3 1 1 18 8637 1 1 22 GLN HE21 H -4.636 1.982 -4.077 1.00 . A A . 21 GLN HE21 1 1 18 8638 1 1 22 GLN HE22 H -3.865 1.706 -5.595 1.00 . A A . 21 GLN HE22 1 1 18 8639 1 1 22 GLN HG2 H -6.086 3.709 -3.769 1.00 . A A . 21 GLN HG2 1 1 18 8640 1 1 22 GLN HG3 H -6.072 5.050 -4.916 1.00 . A A . 21 GLN HG3 1 1 18 8641 1 1 22 GLN N N -4.584 3.574 -1.542 1.00 . A A . 21 GLN N 1 1 18 8642 1 1 22 GLN NE2 N -4.368 2.272 -4.972 1.00 . A A . 21 GLN NE2 1 1 18 8643 1 1 22 GLN O O -1.500 5.132 -2.266 1.00 . A A . 21 GLN O 1 1 18 8644 1 1 22 GLN OE1 O -4.381 3.937 -6.466 1.00 . A A . 21 GLN OE1 1 1 18 8645 1 1 23 ALA C C -1.060 5.405 0.839 1.00 . A A . 22 ALA C 1 1 18 8646 1 1 23 ALA CA C -2.049 6.351 0.160 1.00 . A A . 22 ALA CA 1 1 18 8647 1 1 23 ALA CB C -2.794 7.173 1.192 1.00 . A A . 22 ALA CB 1 1 18 8648 1 1 23 ALA H H -3.922 5.526 -0.353 1.00 . A A . 22 ALA H 1 1 18 8649 1 1 23 ALA HA H -1.507 7.026 -0.483 1.00 . A A . 22 ALA HA 1 1 18 8650 1 1 23 ALA HB1 H -2.089 7.735 1.784 1.00 . A A . 22 ALA HB1 1 1 18 8651 1 1 23 ALA HB2 H -3.362 6.513 1.833 1.00 . A A . 22 ALA HB2 1 1 18 8652 1 1 23 ALA HB3 H -3.467 7.851 0.690 1.00 . A A . 22 ALA HB3 1 1 18 8653 1 1 23 ALA N N -2.994 5.608 -0.657 1.00 . A A . 22 ALA N 1 1 18 8654 1 1 23 ALA O O 0.083 5.773 1.109 1.00 . A A . 22 ALA O 1 1 18 8655 1 1 24 ASP C C 0.391 2.718 0.681 1.00 . A A . 23 ASP C 1 1 18 8656 1 1 24 ASP CA C -0.651 3.161 1.699 1.00 . A A . 23 ASP CA 1 1 18 8657 1 1 24 ASP CB C -1.475 1.953 2.156 1.00 . A A . 23 ASP CB 1 1 18 8658 1 1 24 ASP CG C -0.721 1.066 3.128 1.00 . A A . 23 ASP CG 1 1 18 8659 1 1 24 ASP H H -2.449 3.976 0.918 1.00 . A A . 23 ASP H 1 1 18 8660 1 1 24 ASP HA H -0.149 3.592 2.551 1.00 . A A . 23 ASP HA 1 1 18 8661 1 1 24 ASP HB2 H -2.379 2.296 2.637 1.00 . A A . 23 ASP HB2 1 1 18 8662 1 1 24 ASP HB3 H -1.735 1.360 1.292 1.00 . A A . 23 ASP HB3 1 1 18 8663 1 1 24 ASP N N -1.510 4.187 1.110 1.00 . A A . 23 ASP N 1 1 18 8664 1 1 24 ASP O O 1.546 2.470 1.023 1.00 . A A . 23 ASP O 1 1 18 8665 1 1 24 ASP OD1 O -0.641 1.412 4.325 1.00 . A A . 23 ASP OD1 1 1 18 8666 1 1 24 ASP OD2 O -0.193 0.018 2.694 1.00 . A A . 23 ASP OD2 1 1 18 8667 1 1 25 LEU C C 1.971 3.396 -1.783 1.00 . A A . 24 LEU C 1 1 18 8668 1 1 25 LEU CA C 0.895 2.332 -1.672 1.00 . A A . 24 LEU CA 1 1 18 8669 1 1 25 LEU CB C 0.161 2.201 -3.011 1.00 . A A . 24 LEU CB 1 1 18 8670 1 1 25 LEU CD1 C 0.727 -0.182 -3.561 1.00 . A A . 24 LEU CD1 1 1 18 8671 1 1 25 LEU CD2 C -1.299 0.330 -2.212 1.00 . A A . 24 LEU CD2 1 1 18 8672 1 1 25 LEU CG C -0.400 0.813 -3.329 1.00 . A A . 24 LEU CG 1 1 18 8673 1 1 25 LEU H H -0.981 2.754 -0.773 1.00 . A A . 24 LEU H 1 1 18 8674 1 1 25 LEU HA H 1.369 1.389 -1.443 1.00 . A A . 24 LEU HA 1 1 18 8675 1 1 25 LEU HB2 H -0.662 2.904 -3.015 1.00 . A A . 24 LEU HB2 1 1 18 8676 1 1 25 LEU HB3 H 0.847 2.473 -3.799 1.00 . A A . 24 LEU HB3 1 1 18 8677 1 1 25 LEU HD11 H 1.357 0.166 -4.366 1.00 . A A . 24 LEU HD11 1 1 18 8678 1 1 25 LEU HD12 H 0.308 -1.145 -3.821 1.00 . A A . 24 LEU HD12 1 1 18 8679 1 1 25 LEU HD13 H 1.314 -0.280 -2.661 1.00 . A A . 24 LEU HD13 1 1 18 8680 1 1 25 LEU HD21 H -0.726 0.244 -1.301 1.00 . A A . 24 LEU HD21 1 1 18 8681 1 1 25 LEU HD22 H -1.710 -0.633 -2.474 1.00 . A A . 24 LEU HD22 1 1 18 8682 1 1 25 LEU HD23 H -2.102 1.037 -2.066 1.00 . A A . 24 LEU HD23 1 1 18 8683 1 1 25 LEU HG H -0.988 0.868 -4.233 1.00 . A A . 24 LEU HG 1 1 18 8684 1 1 25 LEU N N -0.026 2.631 -0.579 1.00 . A A . 24 LEU N 1 1 18 8685 1 1 25 LEU O O 3.109 3.094 -2.123 1.00 . A A . 24 LEU O 1 1 18 8686 1 1 26 ALA C C 3.647 5.505 -0.440 1.00 . A A . 25 ALA C 1 1 18 8687 1 1 26 ALA CA C 2.571 5.731 -1.498 1.00 . A A . 25 ALA CA 1 1 18 8688 1 1 26 ALA CB C 1.867 7.059 -1.276 1.00 . A A . 25 ALA CB 1 1 18 8689 1 1 26 ALA H H 0.673 4.825 -1.264 1.00 . A A . 25 ALA H 1 1 18 8690 1 1 26 ALA HA H 3.040 5.755 -2.472 1.00 . A A . 25 ALA HA 1 1 18 8691 1 1 26 ALA HB1 H 2.587 7.861 -1.325 1.00 . A A . 25 ALA HB1 1 1 18 8692 1 1 26 ALA HB2 H 1.397 7.055 -0.305 1.00 . A A . 25 ALA HB2 1 1 18 8693 1 1 26 ALA HB3 H 1.117 7.200 -2.039 1.00 . A A . 25 ALA HB3 1 1 18 8694 1 1 26 ALA N N 1.610 4.638 -1.489 1.00 . A A . 25 ALA N 1 1 18 8695 1 1 26 ALA O O 4.804 5.872 -0.627 1.00 . A A . 25 ALA O 1 1 18 8696 1 1 27 LYS C C 5.141 3.435 1.200 1.00 . A A . 26 LYS C 1 1 18 8697 1 1 27 LYS CA C 4.206 4.521 1.712 1.00 . A A . 26 LYS CA 1 1 18 8698 1 1 27 LYS CB C 3.469 4.018 2.958 1.00 . A A . 26 LYS CB 1 1 18 8699 1 1 27 LYS CD C 1.814 4.438 4.789 1.00 . A A . 26 LYS CD 1 1 18 8700 1 1 27 LYS CE C 0.831 5.417 5.407 1.00 . A A . 26 LYS CE 1 1 18 8701 1 1 27 LYS CG C 2.514 5.027 3.574 1.00 . A A . 26 LYS CG 1 1 18 8702 1 1 27 LYS H H 2.312 4.661 0.782 1.00 . A A . 26 LYS H 1 1 18 8703 1 1 27 LYS HA H 4.782 5.398 1.964 1.00 . A A . 26 LYS HA 1 1 18 8704 1 1 27 LYS HB2 H 2.899 3.141 2.692 1.00 . A A . 26 LYS HB2 1 1 18 8705 1 1 27 LYS HB3 H 4.200 3.745 3.704 1.00 . A A . 26 LYS HB3 1 1 18 8706 1 1 27 LYS HD2 H 1.276 3.551 4.487 1.00 . A A . 26 LYS HD2 1 1 18 8707 1 1 27 LYS HD3 H 2.557 4.175 5.526 1.00 . A A . 26 LYS HD3 1 1 18 8708 1 1 27 LYS HE2 H 1.343 6.345 5.607 1.00 . A A . 26 LYS HE2 1 1 18 8709 1 1 27 LYS HE3 H 0.028 5.593 4.706 1.00 . A A . 26 LYS HE3 1 1 18 8710 1 1 27 LYS HG2 H 3.072 5.901 3.879 1.00 . A A . 26 LYS HG2 1 1 18 8711 1 1 27 LYS HG3 H 1.775 5.308 2.840 1.00 . A A . 26 LYS HG3 1 1 18 8712 1 1 27 LYS HZ1 H -0.418 5.577 7.073 1.00 . A A . 26 LYS HZ1 1 1 18 8713 1 1 27 LYS HZ2 H 1.018 4.737 7.374 1.00 . A A . 26 LYS HZ2 1 1 18 8714 1 1 27 LYS HZ3 H -0.230 3.994 6.509 1.00 . A A . 26 LYS HZ3 1 1 18 8715 1 1 27 LYS N N 3.258 4.883 0.667 1.00 . A A . 26 LYS N 1 1 18 8716 1 1 27 LYS NZ N 0.260 4.894 6.678 1.00 . A A . 26 LYS NZ 1 1 18 8717 1 1 27 LYS O O 6.356 3.494 1.389 1.00 . A A . 26 LYS O 1 1 18 8718 1 1 28 4PH C33 C 6.624 -3.828 -3.681 1.00 . A A . 27 4PH C33 1 1 18 8719 1 1 28 4PH H33 H 6.017 -4.718 -3.614 1.00 . A A . 27 4PH H33 1 1 18 8720 1 1 28 4PH H33A H 6.684 -3.504 -4.710 1.00 . A A . 27 4PH H33A 1 1 18 8721 1 1 28 4PH H33B H 7.615 -4.047 -3.308 1.00 . A A . 27 4PH H33B 1 1 18 8722 1 1 29 GLN C C 7.656 3.868 -2.822 1.00 . A A . 28 GLN C 1 1 18 8723 1 1 29 GLN CA C 6.500 2.962 -3.239 1.00 . A A . 28 GLN CA 1 1 18 8724 1 1 29 GLN CB C 5.615 3.682 -4.260 1.00 . A A . 28 GLN CB 1 1 18 8725 1 1 29 GLN CD C 5.253 1.657 -5.744 1.00 . A A . 28 GLN CD 1 1 18 8726 1 1 29 GLN CG C 4.600 2.770 -4.944 1.00 . A A . 28 GLN CG 1 1 18 8727 1 1 29 GLN H H 4.777 2.821 -2.010 1.00 . A A . 28 GLN H 1 1 18 8728 1 1 29 GLN HA H 6.907 2.076 -3.700 1.00 . A A . 28 GLN HA 1 1 18 8729 1 1 29 GLN HB2 H 5.075 4.473 -3.758 1.00 . A A . 28 GLN HB2 1 1 18 8730 1 1 29 GLN HB3 H 6.248 4.117 -5.020 1.00 . A A . 28 GLN HB3 1 1 18 8731 1 1 29 GLN HE21 H 3.670 0.493 -5.477 1.00 . A A . 28 GLN HE21 1 1 18 8732 1 1 29 GLN HE22 H 4.951 -0.189 -6.411 1.00 . A A . 28 GLN HE22 1 1 18 8733 1 1 29 GLN HG2 H 3.970 2.323 -4.190 1.00 . A A . 28 GLN HG2 1 1 18 8734 1 1 29 GLN HG3 H 3.993 3.363 -5.609 1.00 . A A . 28 GLN HG3 1 1 18 8735 1 1 29 GLN N N 5.716 2.535 -2.085 1.00 . A A . 28 GLN N 1 1 18 8736 1 1 29 GLN NE2 N 4.554 0.541 -5.888 1.00 . A A . 28 GLN NE2 1 1 18 8737 1 1 29 GLN O O 8.739 3.815 -3.407 1.00 . A A . 28 GLN O 1 1 18 8738 1 1 29 GLN OE1 O 6.368 1.804 -6.241 1.00 . A A . 28 GLN OE1 1 1 18 8739 1 1 30 LYS C C 9.546 4.858 -0.580 1.00 . A A . 29 LYS C 1 1 18 8740 1 1 30 LYS CA C 8.446 5.610 -1.324 1.00 . A A . 29 LYS CA 1 1 18 8741 1 1 30 LYS CB C 7.828 6.666 -0.403 1.00 . A A . 29 LYS CB 1 1 18 8742 1 1 30 LYS CD C 8.277 8.618 1.126 1.00 . A A . 29 LYS CD 1 1 18 8743 1 1 30 LYS CE C 6.899 9.201 0.871 1.00 . A A . 29 LYS CE 1 1 18 8744 1 1 30 LYS CG C 8.779 7.800 -0.055 1.00 . A A . 29 LYS CG 1 1 18 8745 1 1 30 LYS H H 6.547 4.680 -1.371 1.00 . A A . 29 LYS H 1 1 18 8746 1 1 30 LYS HA H 8.880 6.102 -2.182 1.00 . A A . 29 LYS HA 1 1 18 8747 1 1 30 LYS HB2 H 6.962 7.088 -0.891 1.00 . A A . 29 LYS HB2 1 1 18 8748 1 1 30 LYS HB3 H 7.516 6.190 0.515 1.00 . A A . 29 LYS HB3 1 1 18 8749 1 1 30 LYS HD2 H 8.230 7.982 1.996 1.00 . A A . 29 LYS HD2 1 1 18 8750 1 1 30 LYS HD3 H 8.970 9.427 1.308 1.00 . A A . 29 LYS HD3 1 1 18 8751 1 1 30 LYS HE2 H 6.947 9.839 0.002 1.00 . A A . 29 LYS HE2 1 1 18 8752 1 1 30 LYS HE3 H 6.209 8.390 0.685 1.00 . A A . 29 LYS HE3 1 1 18 8753 1 1 30 LYS HG2 H 9.743 7.384 0.195 1.00 . A A . 29 LYS HG2 1 1 18 8754 1 1 30 LYS HG3 H 8.877 8.448 -0.913 1.00 . A A . 29 LYS HG3 1 1 18 8755 1 1 30 LYS HZ1 H 5.456 10.357 1.839 1.00 . A A . 29 LYS HZ1 1 1 18 8756 1 1 30 LYS HZ2 H 7.048 10.801 2.203 1.00 . A A . 29 LYS HZ2 1 1 18 8757 1 1 30 LYS HZ3 H 6.384 9.402 2.885 1.00 . A A . 29 LYS HZ3 1 1 18 8758 1 1 30 LYS N N 7.426 4.689 -1.805 1.00 . A A . 29 LYS N 1 1 18 8759 1 1 30 LYS NZ N 6.413 9.994 2.030 1.00 . A A . 29 LYS NZ 1 1 18 8760 1 1 30 LYS O O 10.735 5.099 -0.798 1.00 . A A . 29 LYS O 1 1 18 8761 1 1 31 ASP C C 10.837 2.147 0.279 1.00 . A A . 30 ASP C 1 1 18 8762 1 1 31 ASP CA C 10.107 3.201 1.110 1.00 . A A . 30 ASP CA 1 1 18 8763 1 1 31 ASP CB C 9.403 2.550 2.309 1.00 . A A . 30 ASP CB 1 1 18 8764 1 1 31 ASP CG C 10.373 2.027 3.350 1.00 . A A . 30 ASP CG 1 1 18 8765 1 1 31 ASP H H 8.186 3.745 0.381 1.00 . A A . 30 ASP H 1 1 18 8766 1 1 31 ASP HA H 10.835 3.913 1.475 1.00 . A A . 30 ASP HA 1 1 18 8767 1 1 31 ASP HB2 H 8.763 3.280 2.783 1.00 . A A . 30 ASP HB2 1 1 18 8768 1 1 31 ASP HB3 H 8.800 1.725 1.960 1.00 . A A . 30 ASP HB3 1 1 18 8769 1 1 31 ASP N N 9.147 3.934 0.287 1.00 . A A . 30 ASP N 1 1 18 8770 1 1 31 ASP O O 12.000 1.833 0.537 1.00 . A A . 30 ASP O 1 1 18 8771 1 1 31 ASP OD1 O 10.844 2.828 4.184 1.00 . A A . 30 ASP OD1 1 1 18 8772 1 1 31 ASP OD2 O 10.649 0.810 3.360 1.00 . A A . 30 ASP OD2 1 1 18 8773 1 1 32 LEU C C 11.918 1.253 -2.400 1.00 . A A . 31 LEU C 1 1 18 8774 1 1 32 LEU CA C 10.747 0.642 -1.638 1.00 . A A . 31 LEU CA 1 1 18 8775 1 1 32 LEU CB C 9.701 0.139 -2.635 1.00 . A A . 31 LEU CB 1 1 18 8776 1 1 32 LEU CD1 C 10.137 -2.320 -2.534 1.00 . A A . 31 LEU CD1 1 1 18 8777 1 1 32 LEU CD2 C 9.157 -1.311 -4.602 1.00 . A A . 31 LEU CD2 1 1 18 8778 1 1 32 LEU CG C 10.105 -1.097 -3.435 1.00 . A A . 31 LEU CG 1 1 18 8779 1 1 32 LEU H H 9.221 1.895 -0.876 1.00 . A A . 31 LEU H 1 1 18 8780 1 1 32 LEU HA H 11.104 -0.185 -1.048 1.00 . A A . 31 LEU HA 1 1 18 8781 1 1 32 LEU HB2 H 8.793 -0.089 -2.092 1.00 . A A . 31 LEU HB2 1 1 18 8782 1 1 32 LEU HB3 H 9.491 0.935 -3.333 1.00 . A A . 31 LEU HB3 1 1 18 8783 1 1 32 LEU HD11 H 10.367 -3.195 -3.123 1.00 . A A . 31 LEU HD11 1 1 18 8784 1 1 32 LEU HD12 H 9.171 -2.442 -2.065 1.00 . A A . 31 LEU HD12 1 1 18 8785 1 1 32 LEU HD13 H 10.892 -2.186 -1.775 1.00 . A A . 31 LEU HD13 1 1 18 8786 1 1 32 LEU HD21 H 9.452 -2.194 -5.147 1.00 . A A . 31 LEU HD21 1 1 18 8787 1 1 32 LEU HD22 H 9.195 -0.454 -5.258 1.00 . A A . 31 LEU HD22 1 1 18 8788 1 1 32 LEU HD23 H 8.151 -1.436 -4.231 1.00 . A A . 31 LEU HD23 1 1 18 8789 1 1 32 LEU HG H 11.099 -0.951 -3.832 1.00 . A A . 31 LEU HG 1 1 18 8790 1 1 32 LEU N N 10.156 1.623 -0.736 1.00 . A A . 31 LEU N 1 1 18 8791 1 1 32 LEU O O 12.868 0.559 -2.760 1.00 . A A . 31 LEU O 1 1 18 8792 1 1 33 ALA C C 14.209 3.199 -2.599 1.00 . A A . 32 ALA C 1 1 18 8793 1 1 33 ALA CA C 12.879 3.285 -3.341 1.00 . A A . 32 ALA CA 1 1 18 8794 1 1 33 ALA CB C 12.465 4.736 -3.522 1.00 . A A . 32 ALA CB 1 1 18 8795 1 1 33 ALA H H 11.044 3.043 -2.328 1.00 . A A . 32 ALA H 1 1 18 8796 1 1 33 ALA HA H 12.991 2.842 -4.318 1.00 . A A . 32 ALA HA 1 1 18 8797 1 1 33 ALA HB1 H 13.215 5.257 -4.098 1.00 . A A . 32 ALA HB1 1 1 18 8798 1 1 33 ALA HB2 H 12.364 5.203 -2.552 1.00 . A A . 32 ALA HB2 1 1 18 8799 1 1 33 ALA HB3 H 11.518 4.776 -4.041 1.00 . A A . 32 ALA HB3 1 1 18 8800 1 1 33 ALA N N 11.836 2.556 -2.636 1.00 . A A . 32 ALA N 1 1 18 8801 1 1 33 ALA O O 15.261 3.017 -3.213 1.00 . A A . 32 ALA O 1 1 18 8802 1 1 34 ASP C C 15.906 1.827 -0.417 1.00 . A A . 33 ASP C 1 1 18 8803 1 1 34 ASP CA C 15.353 3.247 -0.446 1.00 . A A . 33 ASP CA 1 1 18 8804 1 1 34 ASP CB C 15.047 3.716 0.982 1.00 . A A . 33 ASP CB 1 1 18 8805 1 1 34 ASP CG C 16.291 3.797 1.851 1.00 . A A . 33 ASP CG 1 1 18 8806 1 1 34 ASP H H 13.277 3.450 -0.850 1.00 . A A . 33 ASP H 1 1 18 8807 1 1 34 ASP HA H 16.093 3.901 -0.880 1.00 . A A . 33 ASP HA 1 1 18 8808 1 1 34 ASP HB2 H 14.594 4.695 0.944 1.00 . A A . 33 ASP HB2 1 1 18 8809 1 1 34 ASP HB3 H 14.356 3.023 1.440 1.00 . A A . 33 ASP HB3 1 1 18 8810 1 1 34 ASP N N 14.150 3.314 -1.278 1.00 . A A . 33 ASP N 1 1 18 8811 1 1 34 ASP O O 17.098 1.612 -0.189 1.00 . A A . 33 ASP O 1 1 18 8812 1 1 34 ASP OD1 O 17.009 4.819 1.795 1.00 . A A . 33 ASP OD1 1 1 18 8813 1 1 34 ASP OD2 O 16.565 2.828 2.591 1.00 . A A . 33 ASP OD2 1 1 18 8814 1 1 35 4PH C33 C 15.189 -6.907 0.429 1.00 . A A . 34 4PH C33 1 1 18 8815 1 1 35 4PH H33 H 14.423 -7.493 -0.053 1.00 . A A . 34 4PH H33 1 1 18 8816 1 1 35 4PH H33A H 16.156 -7.168 0.024 1.00 . A A . 34 4PH H33A 1 1 18 8817 1 1 35 4PH H33B H 15.172 -7.107 1.493 1.00 . A A . 34 4PH H33B 1 1 18 8818 1 1 36 NH2 HN1 H 17.817 -0.308 -1.291 1.00 . A A . 35 NH2 HN1 1 1 18 8819 1 1 36 NH2 HN2 H 17.818 -0.922 -2.906 1.00 . A A . 35 NH2 HN2 1 1 18 8820 1 1 36 NH2 N N 17.363 -0.696 -2.069 1.00 . A A . 35 NH2 N 1 1 19 8821 1 1 1 ACE C C 13.252 -4.992 5.617 1.00 . A A . 0 ACE C 1 1 19 8822 1 1 1 ACE CH3 C 14.010 -3.761 5.209 1.00 . A A . 0 ACE CH3 1 1 19 8823 1 1 1 ACE H1 H 14.555 -3.388 6.069 1.00 . A A . 0 ACE H1 1 1 19 8824 1 1 1 ACE H2 H 13.321 -3.013 4.868 1.00 . A A . 0 ACE H2 1 1 19 8825 1 1 1 ACE H3 H 14.687 -4.024 4.401 1.00 . A A . 0 ACE H3 1 1 19 8826 1 1 1 ACE O O 12.634 -5.033 6.682 1.00 . A A . 0 ACE O 1 1 19 8827 1 1 2 PRO C C 11.178 -5.630 3.515 1.00 . A A . 1 PRO C 1 1 19 8828 1 1 2 PRO CA C 12.663 -5.982 3.443 1.00 . A A . 1 PRO CA 1 1 19 8829 1 1 2 PRO CB C 12.853 -7.408 2.902 1.00 . A A . 1 PRO CB 1 1 19 8830 1 1 2 PRO CD C 13.907 -7.322 5.044 1.00 . A A . 1 PRO CD 1 1 19 8831 1 1 2 PRO CG C 13.214 -8.244 4.082 1.00 . A A . 1 PRO CG 1 1 19 8832 1 1 2 PRO HA H 13.171 -5.277 2.801 1.00 . A A . 1 PRO HA 1 1 19 8833 1 1 2 PRO HB2 H 11.930 -7.756 2.452 1.00 . A A . 1 PRO HB2 1 1 19 8834 1 1 2 PRO HB3 H 13.652 -7.427 2.178 1.00 . A A . 1 PRO HB3 1 1 19 8835 1 1 2 PRO HD2 H 13.730 -7.630 6.064 1.00 . A A . 1 PRO HD2 1 1 19 8836 1 1 2 PRO HD3 H 14.966 -7.284 4.838 1.00 . A A . 1 PRO HD3 1 1 19 8837 1 1 2 PRO HG2 H 12.316 -8.655 4.529 1.00 . A A . 1 PRO HG2 1 1 19 8838 1 1 2 PRO HG3 H 13.885 -9.035 3.784 1.00 . A A . 1 PRO HG3 1 1 19 8839 1 1 2 PRO N N 13.275 -6.028 4.773 1.00 . A A . 1 PRO N 1 1 19 8840 1 1 2 PRO O O 10.397 -6.339 4.151 1.00 . A A . 1 PRO O 1 1 19 8841 1 1 3 PRO C C 8.438 -5.039 2.207 1.00 . A A . 2 PRO C 1 1 19 8842 1 1 3 PRO CA C 9.380 -4.067 2.915 1.00 . A A . 2 PRO CA 1 1 19 8843 1 1 3 PRO CB C 9.419 -2.720 2.180 1.00 . A A . 2 PRO CB 1 1 19 8844 1 1 3 PRO CD C 11.620 -3.659 2.036 1.00 . A A . 2 PRO CD 1 1 19 8845 1 1 3 PRO CG C 10.633 -2.770 1.324 1.00 . A A . 2 PRO CG 1 1 19 8846 1 1 3 PRO HA H 9.048 -3.922 3.933 1.00 . A A . 2 PRO HA 1 1 19 8847 1 1 3 PRO HB2 H 8.525 -2.602 1.574 1.00 . A A . 2 PRO HB2 1 1 19 8848 1 1 3 PRO HB3 H 9.501 -1.911 2.889 1.00 . A A . 2 PRO HB3 1 1 19 8849 1 1 3 PRO HD2 H 12.183 -4.242 1.321 1.00 . A A . 2 PRO HD2 1 1 19 8850 1 1 3 PRO HD3 H 12.287 -3.071 2.651 1.00 . A A . 2 PRO HD3 1 1 19 8851 1 1 3 PRO HG2 H 10.380 -3.184 0.356 1.00 . A A . 2 PRO HG2 1 1 19 8852 1 1 3 PRO HG3 H 11.043 -1.777 1.212 1.00 . A A . 2 PRO HG3 1 1 19 8853 1 1 3 PRO N N 10.768 -4.528 2.870 1.00 . A A . 2 PRO N 1 1 19 8854 1 1 3 PRO O O 8.762 -5.568 1.143 1.00 . A A . 2 PRO O 1 1 19 8855 1 1 4 THR C C 5.262 -5.404 1.442 1.00 . A A . 3 THR C 1 1 19 8856 1 1 4 THR CA C 6.309 -6.183 2.217 1.00 . A A . 3 THR CA 1 1 19 8857 1 1 4 THR CB C 5.618 -7.043 3.292 1.00 . A A . 3 THR CB 1 1 19 8858 1 1 4 THR CG2 C 6.541 -8.149 3.775 1.00 . A A . 3 THR CG2 1 1 19 8859 1 1 4 THR H H 7.074 -4.842 3.653 1.00 . A A . 3 THR H 1 1 19 8860 1 1 4 THR HA H 6.828 -6.843 1.537 1.00 . A A . 3 THR HA 1 1 19 8861 1 1 4 THR HB H 4.739 -7.494 2.858 1.00 . A A . 3 THR HB 1 1 19 8862 1 1 4 THR HG1 H 4.257 -6.147 4.410 1.00 . A A . 3 THR HG1 1 1 19 8863 1 1 4 THR HG21 H 7.438 -7.716 4.189 1.00 . A A . 3 THR HG21 1 1 19 8864 1 1 4 THR HG22 H 6.799 -8.789 2.943 1.00 . A A . 3 THR HG22 1 1 19 8865 1 1 4 THR HG23 H 6.039 -8.730 4.534 1.00 . A A . 3 THR HG23 1 1 19 8866 1 1 4 THR N N 7.283 -5.283 2.802 1.00 . A A . 3 THR N 1 1 19 8867 1 1 4 THR O O 4.858 -4.312 1.849 1.00 . A A . 3 THR O 1 1 19 8868 1 1 4 THR OG1 O 5.220 -6.224 4.400 1.00 . A A . 3 THR OG1 1 1 19 8869 1 1 5 LYS C C 2.446 -5.513 0.139 1.00 . A A . 4 LYS C 1 1 19 8870 1 1 5 LYS CA C 3.821 -5.307 -0.495 1.00 . A A . 4 LYS CA 1 1 19 8871 1 1 5 LYS CB C 3.827 -5.853 -1.932 1.00 . A A . 4 LYS CB 1 1 19 8872 1 1 5 LYS CD C 3.145 -7.658 -3.528 1.00 . A A . 4 LYS CD 1 1 19 8873 1 1 5 LYS CE C 2.394 -8.967 -3.698 1.00 . A A . 4 LYS CE 1 1 19 8874 1 1 5 LYS CG C 3.204 -7.230 -2.073 1.00 . A A . 4 LYS CG 1 1 19 8875 1 1 5 LYS H H 5.243 -6.794 0.012 1.00 . A A . 4 LYS H 1 1 19 8876 1 1 5 LYS HA H 4.038 -4.251 -0.516 1.00 . A A . 4 LYS HA 1 1 19 8877 1 1 5 LYS HB2 H 3.281 -5.173 -2.567 1.00 . A A . 4 LYS HB2 1 1 19 8878 1 1 5 LYS HB3 H 4.849 -5.912 -2.278 1.00 . A A . 4 LYS HB3 1 1 19 8879 1 1 5 LYS HD2 H 2.644 -6.891 -4.099 1.00 . A A . 4 LYS HD2 1 1 19 8880 1 1 5 LYS HD3 H 4.153 -7.781 -3.896 1.00 . A A . 4 LYS HD3 1 1 19 8881 1 1 5 LYS HE2 H 2.919 -9.741 -3.159 1.00 . A A . 4 LYS HE2 1 1 19 8882 1 1 5 LYS HE3 H 1.401 -8.853 -3.287 1.00 . A A . 4 LYS HE3 1 1 19 8883 1 1 5 LYS HG2 H 3.798 -7.940 -1.519 1.00 . A A . 4 LYS HG2 1 1 19 8884 1 1 5 LYS HG3 H 2.200 -7.200 -1.672 1.00 . A A . 4 LYS HG3 1 1 19 8885 1 1 5 LYS HZ1 H 1.787 -8.625 -5.664 1.00 . A A . 4 LYS HZ1 1 1 19 8886 1 1 5 LYS HZ2 H 1.755 -10.254 -5.210 1.00 . A A . 4 LYS HZ2 1 1 19 8887 1 1 5 LYS HZ3 H 3.232 -9.495 -5.535 1.00 . A A . 4 LYS HZ3 1 1 19 8888 1 1 5 LYS N N 4.846 -5.948 0.312 1.00 . A A . 4 LYS N 1 1 19 8889 1 1 5 LYS NZ N 2.285 -9.363 -5.125 1.00 . A A . 4 LYS NZ 1 1 19 8890 1 1 5 LYS O O 2.205 -6.523 0.809 1.00 . A A . 4 LYS O 1 1 19 8891 1 1 6 PRO C C -0.673 -5.630 -0.348 1.00 . A A . 5 PRO C 1 1 19 8892 1 1 6 PRO CA C 0.165 -4.647 0.465 1.00 . A A . 5 PRO CA 1 1 19 8893 1 1 6 PRO CB C -0.369 -3.227 0.294 1.00 . A A . 5 PRO CB 1 1 19 8894 1 1 6 PRO CD C 1.777 -3.255 -0.724 1.00 . A A . 5 PRO CD 1 1 19 8895 1 1 6 PRO CG C 0.401 -2.675 -0.847 1.00 . A A . 5 PRO CG 1 1 19 8896 1 1 6 PRO HA H 0.138 -4.925 1.506 1.00 . A A . 5 PRO HA 1 1 19 8897 1 1 6 PRO HB2 H -1.427 -3.258 0.074 1.00 . A A . 5 PRO HB2 1 1 19 8898 1 1 6 PRO HB3 H -0.185 -2.649 1.182 1.00 . A A . 5 PRO HB3 1 1 19 8899 1 1 6 PRO HD2 H 2.210 -3.407 -1.702 1.00 . A A . 5 PRO HD2 1 1 19 8900 1 1 6 PRO HD3 H 2.402 -2.610 -0.126 1.00 . A A . 5 PRO HD3 1 1 19 8901 1 1 6 PRO HG2 H -0.059 -2.979 -1.778 1.00 . A A . 5 PRO HG2 1 1 19 8902 1 1 6 PRO HG3 H 0.449 -1.601 -0.781 1.00 . A A . 5 PRO HG3 1 1 19 8903 1 1 6 PRO N N 1.538 -4.543 -0.037 1.00 . A A . 5 PRO N 1 1 19 8904 1 1 6 PRO O O -0.348 -5.941 -1.496 1.00 . A A . 5 PRO O 1 1 19 8905 1 1 7 THR C C -3.789 -6.269 -1.086 1.00 . A A . 6 THR C 1 1 19 8906 1 1 7 THR CA C -2.643 -7.034 -0.431 1.00 . A A . 6 THR CA 1 1 19 8907 1 1 7 THR CB C -3.195 -8.111 0.530 1.00 . A A . 6 THR CB 1 1 19 8908 1 1 7 THR CG2 C -4.059 -7.494 1.620 1.00 . A A . 6 THR CG2 1 1 19 8909 1 1 7 THR H H -1.945 -5.849 1.172 1.00 . A A . 6 THR H 1 1 19 8910 1 1 7 THR HA H -2.077 -7.531 -1.204 1.00 . A A . 6 THR HA 1 1 19 8911 1 1 7 THR HB H -2.360 -8.609 0.996 1.00 . A A . 6 THR HB 1 1 19 8912 1 1 7 THR HG1 H -4.779 -9.267 0.281 1.00 . A A . 6 THR HG1 1 1 19 8913 1 1 7 THR HG21 H -4.887 -6.973 1.168 1.00 . A A . 6 THR HG21 1 1 19 8914 1 1 7 THR HG22 H -3.468 -6.800 2.198 1.00 . A A . 6 THR HG22 1 1 19 8915 1 1 7 THR HG23 H -4.433 -8.274 2.266 1.00 . A A . 6 THR HG23 1 1 19 8916 1 1 7 THR N N -1.747 -6.117 0.251 1.00 . A A . 6 THR N 1 1 19 8917 1 1 7 THR O O -4.172 -5.189 -0.629 1.00 . A A . 6 THR O 1 1 19 8918 1 1 7 THR OG1 O -3.963 -9.079 -0.197 1.00 . A A . 6 THR OG1 1 1 19 8919 1 1 8 LYS C C -6.713 -6.263 -2.197 1.00 . A A . 7 LYS C 1 1 19 8920 1 1 8 LYS CA C -5.375 -6.185 -2.932 1.00 . A A . 7 LYS CA 1 1 19 8921 1 1 8 LYS CB C -5.510 -6.846 -4.309 1.00 . A A . 7 LYS CB 1 1 19 8922 1 1 8 LYS CD C -3.817 -5.337 -5.407 1.00 . A A . 7 LYS CD 1 1 19 8923 1 1 8 LYS CE C -2.697 -5.249 -6.431 1.00 . A A . 7 LYS CE 1 1 19 8924 1 1 8 LYS CG C -4.252 -6.774 -5.165 1.00 . A A . 7 LYS CG 1 1 19 8925 1 1 8 LYS H H -3.995 -7.713 -2.439 1.00 . A A . 7 LYS H 1 1 19 8926 1 1 8 LYS HA H -5.106 -5.149 -3.064 1.00 . A A . 7 LYS HA 1 1 19 8927 1 1 8 LYS HB2 H -5.763 -7.887 -4.171 1.00 . A A . 7 LYS HB2 1 1 19 8928 1 1 8 LYS HB3 H -6.311 -6.361 -4.847 1.00 . A A . 7 LYS HB3 1 1 19 8929 1 1 8 LYS HD2 H -4.666 -4.770 -5.764 1.00 . A A . 7 LYS HD2 1 1 19 8930 1 1 8 LYS HD3 H -3.470 -4.921 -4.472 1.00 . A A . 7 LYS HD3 1 1 19 8931 1 1 8 LYS HE2 H -2.365 -4.223 -6.493 1.00 . A A . 7 LYS HE2 1 1 19 8932 1 1 8 LYS HE3 H -1.878 -5.873 -6.107 1.00 . A A . 7 LYS HE3 1 1 19 8933 1 1 8 LYS HG2 H -3.456 -7.297 -4.658 1.00 . A A . 7 LYS HG2 1 1 19 8934 1 1 8 LYS HG3 H -4.448 -7.247 -6.115 1.00 . A A . 7 LYS HG3 1 1 19 8935 1 1 8 LYS HZ1 H -3.933 -5.105 -8.110 1.00 . A A . 7 LYS HZ1 1 1 19 8936 1 1 8 LYS HZ2 H -3.446 -6.685 -7.751 1.00 . A A . 7 LYS HZ2 1 1 19 8937 1 1 8 LYS HZ3 H -2.357 -5.607 -8.459 1.00 . A A . 7 LYS HZ3 1 1 19 8938 1 1 8 LYS N N -4.318 -6.830 -2.162 1.00 . A A . 7 LYS N 1 1 19 8939 1 1 8 LYS NZ N -3.139 -5.693 -7.781 1.00 . A A . 7 LYS NZ 1 1 19 8940 1 1 8 LYS O O -7.199 -7.356 -1.904 1.00 . A A . 7 LYS O 1 1 19 8941 1 1 9 PRO C C -9.732 -5.650 -2.110 1.00 . A A . 8 PRO C 1 1 19 8942 1 1 9 PRO CA C -8.635 -5.057 -1.231 1.00 . A A . 8 PRO CA 1 1 19 8943 1 1 9 PRO CB C -8.886 -3.558 -1.011 1.00 . A A . 8 PRO CB 1 1 19 8944 1 1 9 PRO CD C -6.779 -3.757 -2.123 1.00 . A A . 8 PRO CD 1 1 19 8945 1 1 9 PRO CG C -7.560 -2.897 -1.167 1.00 . A A . 8 PRO CG 1 1 19 8946 1 1 9 PRO HA H -8.623 -5.568 -0.282 1.00 . A A . 8 PRO HA 1 1 19 8947 1 1 9 PRO HB2 H -9.585 -3.192 -1.754 1.00 . A A . 8 PRO HB2 1 1 19 8948 1 1 9 PRO HB3 H -9.274 -3.390 -0.017 1.00 . A A . 8 PRO HB3 1 1 19 8949 1 1 9 PRO HD2 H -6.955 -3.445 -3.145 1.00 . A A . 8 PRO HD2 1 1 19 8950 1 1 9 PRO HD3 H -5.724 -3.716 -1.888 1.00 . A A . 8 PRO HD3 1 1 19 8951 1 1 9 PRO HG2 H -7.696 -1.904 -1.575 1.00 . A A . 8 PRO HG2 1 1 19 8952 1 1 9 PRO HG3 H -7.053 -2.846 -0.216 1.00 . A A . 8 PRO HG3 1 1 19 8953 1 1 9 PRO N N -7.322 -5.105 -1.883 1.00 . A A . 8 PRO N 1 1 19 8954 1 1 9 PRO O O -9.884 -5.263 -3.272 1.00 . A A . 8 PRO O 1 1 19 8955 1 1 10 GLY C C -12.912 -6.606 -1.962 1.00 . A A . 9 GLY C 1 1 19 8956 1 1 10 GLY CA C -11.565 -7.203 -2.309 1.00 . A A . 9 GLY CA 1 1 19 8957 1 1 10 GLY H H -10.298 -6.883 -0.644 1.00 . A A . 9 GLY H 1 1 19 8958 1 1 10 GLY HA2 H -11.381 -7.062 -3.363 1.00 . A A . 9 GLY HA2 1 1 19 8959 1 1 10 GLY HA3 H -11.586 -8.262 -2.097 1.00 . A A . 9 GLY HA3 1 1 19 8960 1 1 10 GLY N N -10.484 -6.593 -1.560 1.00 . A A . 9 GLY N 1 1 19 8961 1 1 10 GLY O O -13.494 -5.869 -2.755 1.00 . A A . 9 GLY O 1 1 19 8962 1 1 11 ASP C C -14.480 -5.102 0.494 1.00 . A A . 10 ASP C 1 1 19 8963 1 1 11 ASP CA C -14.680 -6.382 -0.309 1.00 . A A . 10 ASP CA 1 1 19 8964 1 1 11 ASP CB C -15.421 -7.428 0.531 1.00 . A A . 10 ASP CB 1 1 19 8965 1 1 11 ASP CG C -16.731 -6.911 1.094 1.00 . A A . 10 ASP CG 1 1 19 8966 1 1 11 ASP H H -12.876 -7.485 -0.171 1.00 . A A . 10 ASP H 1 1 19 8967 1 1 11 ASP HA H -15.272 -6.153 -1.184 1.00 . A A . 10 ASP HA 1 1 19 8968 1 1 11 ASP HB2 H -15.636 -8.287 -0.087 1.00 . A A . 10 ASP HB2 1 1 19 8969 1 1 11 ASP HB3 H -14.792 -7.732 1.354 1.00 . A A . 10 ASP HB3 1 1 19 8970 1 1 11 ASP N N -13.394 -6.901 -0.764 1.00 . A A . 10 ASP N 1 1 19 8971 1 1 11 ASP O O -15.325 -4.208 0.484 1.00 . A A . 10 ASP O 1 1 19 8972 1 1 11 ASP OD1 O -17.730 -6.853 0.346 1.00 . A A . 10 ASP OD1 1 1 19 8973 1 1 11 ASP OD2 O -16.775 -6.580 2.297 1.00 . A A . 10 ASP OD2 1 1 19 8974 1 1 12 ASN C C -12.512 -2.692 1.025 1.00 . A A . 11 ASN C 1 1 19 8975 1 1 12 ASN CA C -13.001 -3.807 1.945 1.00 . A A . 11 ASN CA 1 1 19 8976 1 1 12 ASN CB C -11.952 -4.097 3.033 1.00 . A A . 11 ASN CB 1 1 19 8977 1 1 12 ASN CG C -10.569 -4.425 2.490 1.00 . A A . 11 ASN CG 1 1 19 8978 1 1 12 ASN H H -12.711 -5.761 1.160 1.00 . A A . 11 ASN H 1 1 19 8979 1 1 12 ASN HA H -13.911 -3.474 2.422 1.00 . A A . 11 ASN HA 1 1 19 8980 1 1 12 ASN HB2 H -11.863 -3.229 3.668 1.00 . A A . 11 ASN HB2 1 1 19 8981 1 1 12 ASN HB3 H -12.291 -4.932 3.629 1.00 . A A . 11 ASN HB3 1 1 19 8982 1 1 12 ASN HD21 H -10.927 -6.368 2.664 1.00 . A A . 11 ASN HD21 1 1 19 8983 1 1 12 ASN HD22 H -9.363 -5.942 2.071 1.00 . A A . 11 ASN HD22 1 1 19 8984 1 1 12 ASN N N -13.337 -5.006 1.171 1.00 . A A . 11 ASN N 1 1 19 8985 1 1 12 ASN ND2 N -10.259 -5.705 2.390 1.00 . A A . 11 ASN ND2 1 1 19 8986 1 1 12 ASN O O -12.028 -1.659 1.484 1.00 . A A . 11 ASN O 1 1 19 8987 1 1 12 ASN OD1 O -9.771 -3.532 2.201 1.00 . A A . 11 ASN OD1 1 1 19 8988 1 1 13 ALA C C -13.216 -0.755 -1.363 1.00 . A A . 12 ALA C 1 1 19 8989 1 1 13 ALA CA C -12.253 -1.942 -1.291 1.00 . A A . 12 ALA CA 1 1 19 8990 1 1 13 ALA CB C -12.164 -2.631 -2.644 1.00 . A A . 12 ALA CB 1 1 19 8991 1 1 13 ALA H H -13.068 -3.746 -0.567 1.00 . A A . 12 ALA H 1 1 19 8992 1 1 13 ALA HA H -11.272 -1.581 -1.032 1.00 . A A . 12 ALA HA 1 1 19 8993 1 1 13 ALA HB1 H -13.142 -2.982 -2.934 1.00 . A A . 12 ALA HB1 1 1 19 8994 1 1 13 ALA HB2 H -11.486 -3.470 -2.575 1.00 . A A . 12 ALA HB2 1 1 19 8995 1 1 13 ALA HB3 H -11.798 -1.931 -3.382 1.00 . A A . 12 ALA HB3 1 1 19 8996 1 1 13 ALA N N -12.659 -2.907 -0.277 1.00 . A A . 12 ALA N 1 1 19 8997 1 1 13 ALA O O -13.341 -0.110 -2.403 1.00 . A A . 12 ALA O 1 1 19 8998 1 1 14 THR C C -14.093 1.944 -0.466 1.00 . A A . 13 THR C 1 1 19 8999 1 1 14 THR CA C -14.819 0.635 -0.171 1.00 . A A . 13 THR CA 1 1 19 9000 1 1 14 THR CB C -15.476 0.699 1.221 1.00 . A A . 13 THR CB 1 1 19 9001 1 1 14 THR CG2 C -16.443 -0.457 1.415 1.00 . A A . 13 THR CG2 1 1 19 9002 1 1 14 THR H H -13.741 -1.031 0.539 1.00 . A A . 13 THR H 1 1 19 9003 1 1 14 THR HA H -15.595 0.489 -0.906 1.00 . A A . 13 THR HA 1 1 19 9004 1 1 14 THR HB H -16.027 1.623 1.297 1.00 . A A . 13 THR HB 1 1 19 9005 1 1 14 THR HG1 H -14.483 -0.194 2.688 1.00 . A A . 13 THR HG1 1 1 19 9006 1 1 14 THR HG21 H -15.906 -1.391 1.368 1.00 . A A . 13 THR HG21 1 1 19 9007 1 1 14 THR HG22 H -17.188 -0.433 0.633 1.00 . A A . 13 THR HG22 1 1 19 9008 1 1 14 THR HG23 H -16.928 -0.367 2.376 1.00 . A A . 13 THR HG23 1 1 19 9009 1 1 14 THR N N -13.894 -0.481 -0.255 1.00 . A A . 13 THR N 1 1 19 9010 1 1 14 THR O O -12.959 2.127 -0.032 1.00 . A A . 13 THR O 1 1 19 9011 1 1 14 THR OG1 O -14.471 0.667 2.246 1.00 . A A . 13 THR OG1 1 1 19 9012 1 1 15 PRO C C -13.290 4.827 -0.594 1.00 . A A . 14 PRO C 1 1 19 9013 1 1 15 PRO CA C -14.115 4.115 -1.670 1.00 . A A . 14 PRO CA 1 1 19 9014 1 1 15 PRO CB C -15.323 4.968 -2.055 1.00 . A A . 14 PRO CB 1 1 19 9015 1 1 15 PRO CD C -16.121 2.723 -1.702 1.00 . A A . 14 PRO CD 1 1 19 9016 1 1 15 PRO CG C -16.371 3.998 -2.476 1.00 . A A . 14 PRO CG 1 1 19 9017 1 1 15 PRO HA H -13.495 3.954 -2.540 1.00 . A A . 14 PRO HA 1 1 19 9018 1 1 15 PRO HB2 H -15.650 5.545 -1.199 1.00 . A A . 14 PRO HB2 1 1 19 9019 1 1 15 PRO HB3 H -15.074 5.624 -2.874 1.00 . A A . 14 PRO HB3 1 1 19 9020 1 1 15 PRO HD2 H -16.810 2.643 -0.873 1.00 . A A . 14 PRO HD2 1 1 19 9021 1 1 15 PRO HD3 H -16.218 1.865 -2.351 1.00 . A A . 14 PRO HD3 1 1 19 9022 1 1 15 PRO HG2 H -17.349 4.399 -2.240 1.00 . A A . 14 PRO HG2 1 1 19 9023 1 1 15 PRO HG3 H -16.288 3.807 -3.537 1.00 . A A . 14 PRO HG3 1 1 19 9024 1 1 15 PRO N N -14.732 2.857 -1.218 1.00 . A A . 14 PRO N 1 1 19 9025 1 1 15 PRO O O -12.210 5.346 -0.873 1.00 . A A . 14 PRO O 1 1 19 9026 1 1 16 GLU C C -11.867 4.838 2.192 1.00 . A A . 15 GLU C 1 1 19 9027 1 1 16 GLU CA C -13.134 5.549 1.723 1.00 . A A . 15 GLU CA 1 1 19 9028 1 1 16 GLU CB C -14.100 5.734 2.889 1.00 . A A . 15 GLU CB 1 1 19 9029 1 1 16 GLU CD C -16.235 6.801 3.699 1.00 . A A . 15 GLU CD 1 1 19 9030 1 1 16 GLU CG C -15.169 6.779 2.628 1.00 . A A . 15 GLU CG 1 1 19 9031 1 1 16 GLU H H -14.619 4.331 0.814 1.00 . A A . 15 GLU H 1 1 19 9032 1 1 16 GLU HA H -12.858 6.521 1.347 1.00 . A A . 15 GLU HA 1 1 19 9033 1 1 16 GLU HB2 H -14.590 4.794 3.088 1.00 . A A . 15 GLU HB2 1 1 19 9034 1 1 16 GLU HB3 H -13.540 6.031 3.763 1.00 . A A . 15 GLU HB3 1 1 19 9035 1 1 16 GLU HG2 H -14.702 7.751 2.587 1.00 . A A . 15 GLU HG2 1 1 19 9036 1 1 16 GLU HG3 H -15.637 6.566 1.681 1.00 . A A . 15 GLU HG3 1 1 19 9037 1 1 16 GLU N N -13.792 4.831 0.633 1.00 . A A . 15 GLU N 1 1 19 9038 1 1 16 GLU O O -10.892 5.486 2.575 1.00 . A A . 15 GLU O 1 1 19 9039 1 1 16 GLU OE1 O -17.256 6.102 3.542 1.00 . A A . 15 GLU OE1 1 1 19 9040 1 1 16 GLU OE2 O -16.050 7.517 4.707 1.00 . A A . 15 GLU OE2 1 1 19 9041 1 1 17 LYS C C -9.774 2.521 1.398 1.00 . A A . 16 LYS C 1 1 19 9042 1 1 17 LYS CA C -10.720 2.735 2.573 1.00 . A A . 16 LYS CA 1 1 19 9043 1 1 17 LYS CB C -11.156 1.385 3.151 1.00 . A A . 16 LYS CB 1 1 19 9044 1 1 17 LYS CD C -10.474 -0.771 4.255 1.00 . A A . 16 LYS CD 1 1 19 9045 1 1 17 LYS CE C -9.328 -1.562 4.867 1.00 . A A . 16 LYS CE 1 1 19 9046 1 1 17 LYS CG C -10.000 0.557 3.690 1.00 . A A . 16 LYS CG 1 1 19 9047 1 1 17 LYS H H -12.673 3.052 1.823 1.00 . A A . 16 LYS H 1 1 19 9048 1 1 17 LYS HA H -10.206 3.297 3.338 1.00 . A A . 16 LYS HA 1 1 19 9049 1 1 17 LYS HB2 H -11.852 1.562 3.961 1.00 . A A . 16 LYS HB2 1 1 19 9050 1 1 17 LYS HB3 H -11.652 0.814 2.377 1.00 . A A . 16 LYS HB3 1 1 19 9051 1 1 17 LYS HD2 H -11.213 -0.581 5.017 1.00 . A A . 16 LYS HD2 1 1 19 9052 1 1 17 LYS HD3 H -10.916 -1.351 3.459 1.00 . A A . 16 LYS HD3 1 1 19 9053 1 1 17 LYS HE2 H -8.880 -0.975 5.653 1.00 . A A . 16 LYS HE2 1 1 19 9054 1 1 17 LYS HE3 H -9.724 -2.476 5.283 1.00 . A A . 16 LYS HE3 1 1 19 9055 1 1 17 LYS HG2 H -9.304 0.364 2.888 1.00 . A A . 16 LYS HG2 1 1 19 9056 1 1 17 LYS HG3 H -9.504 1.115 4.472 1.00 . A A . 16 LYS HG3 1 1 19 9057 1 1 17 LYS HZ1 H -8.696 -2.473 3.096 1.00 . A A . 16 LYS HZ1 1 1 19 9058 1 1 17 LYS HZ2 H -7.520 -2.444 4.314 1.00 . A A . 16 LYS HZ2 1 1 19 9059 1 1 17 LYS HZ3 H -7.880 -1.032 3.458 1.00 . A A . 16 LYS HZ3 1 1 19 9060 1 1 17 LYS N N -11.877 3.515 2.153 1.00 . A A . 16 LYS N 1 1 19 9061 1 1 17 LYS NZ N -8.284 -1.901 3.864 1.00 . A A . 16 LYS NZ 1 1 19 9062 1 1 17 LYS O O -8.559 2.450 1.570 1.00 . A A . 16 LYS O 1 1 19 9063 1 1 18 LEU C C -8.642 3.453 -1.221 1.00 . A A . 17 LEU C 1 1 19 9064 1 1 18 LEU CA C -9.560 2.255 -1.013 1.00 . A A . 17 LEU CA 1 1 19 9065 1 1 18 LEU CB C -10.496 2.081 -2.211 1.00 . A A . 17 LEU CB 1 1 19 9066 1 1 18 LEU CD1 C -9.098 0.363 -3.382 1.00 . A A . 17 LEU CD1 1 1 19 9067 1 1 18 LEU CD2 C -10.875 1.592 -4.619 1.00 . A A . 17 LEU CD2 1 1 19 9068 1 1 18 LEU CG C -9.829 1.687 -3.527 1.00 . A A . 17 LEU CG 1 1 19 9069 1 1 18 LEU H H -11.319 2.493 0.134 1.00 . A A . 17 LEU H 1 1 19 9070 1 1 18 LEU HA H -8.962 1.367 -0.898 1.00 . A A . 17 LEU HA 1 1 19 9071 1 1 18 LEU HB2 H -11.221 1.320 -1.966 1.00 . A A . 17 LEU HB2 1 1 19 9072 1 1 18 LEU HB3 H -11.017 3.014 -2.367 1.00 . A A . 17 LEU HB3 1 1 19 9073 1 1 18 LEU HD11 H -8.313 0.464 -2.652 1.00 . A A . 17 LEU HD11 1 1 19 9074 1 1 18 LEU HD12 H -8.672 0.081 -4.333 1.00 . A A . 17 LEU HD12 1 1 19 9075 1 1 18 LEU HD13 H -9.793 -0.397 -3.059 1.00 . A A . 17 LEU HD13 1 1 19 9076 1 1 18 LEU HD21 H -11.367 2.547 -4.729 1.00 . A A . 17 LEU HD21 1 1 19 9077 1 1 18 LEU HD22 H -11.604 0.841 -4.348 1.00 . A A . 17 LEU HD22 1 1 19 9078 1 1 18 LEU HD23 H -10.403 1.319 -5.551 1.00 . A A . 17 LEU HD23 1 1 19 9079 1 1 18 LEU HG H -9.112 2.443 -3.808 1.00 . A A . 17 LEU HG 1 1 19 9080 1 1 18 LEU N N -10.340 2.435 0.202 1.00 . A A . 17 LEU N 1 1 19 9081 1 1 18 LEU O O -7.528 3.326 -1.731 1.00 . A A . 17 LEU O 1 1 19 9082 1 1 19 ALA C C -7.185 5.790 0.127 1.00 . A A . 18 ALA C 1 1 19 9083 1 1 19 ALA CA C -8.343 5.840 -0.863 1.00 . A A . 18 ALA CA 1 1 19 9084 1 1 19 ALA CB C -9.234 7.034 -0.580 1.00 . A A . 18 ALA CB 1 1 19 9085 1 1 19 ALA H H -10.029 4.649 -0.437 1.00 . A A . 18 ALA H 1 1 19 9086 1 1 19 ALA HA H -7.951 5.937 -1.862 1.00 . A A . 18 ALA HA 1 1 19 9087 1 1 19 ALA HB1 H -8.654 7.942 -0.652 1.00 . A A . 18 ALA HB1 1 1 19 9088 1 1 19 ALA HB2 H -9.647 6.946 0.414 1.00 . A A . 18 ALA HB2 1 1 19 9089 1 1 19 ALA HB3 H -10.037 7.059 -1.300 1.00 . A A . 18 ALA HB3 1 1 19 9090 1 1 19 ALA N N -9.121 4.616 -0.800 1.00 . A A . 18 ALA N 1 1 19 9091 1 1 19 ALA O O -6.060 6.175 -0.197 1.00 . A A . 18 ALA O 1 1 19 9092 1 1 20 LYS C C -5.428 4.084 1.922 1.00 . A A . 19 LYS C 1 1 19 9093 1 1 20 LYS CA C -6.444 5.139 2.354 1.00 . A A . 19 LYS CA 1 1 19 9094 1 1 20 LYS CB C -7.080 4.749 3.694 1.00 . A A . 19 LYS CB 1 1 19 9095 1 1 20 LYS CD C -5.360 5.922 5.110 1.00 . A A . 19 LYS CD 1 1 19 9096 1 1 20 LYS CE C -4.297 5.757 6.182 1.00 . A A . 19 LYS CE 1 1 19 9097 1 1 20 LYS CG C -6.075 4.609 4.828 1.00 . A A . 19 LYS CG 1 1 19 9098 1 1 20 LYS H H -8.393 5.049 1.538 1.00 . A A . 19 LYS H 1 1 19 9099 1 1 20 LYS HA H -5.938 6.086 2.465 1.00 . A A . 19 LYS HA 1 1 19 9100 1 1 20 LYS HB2 H -7.800 5.506 3.969 1.00 . A A . 19 LYS HB2 1 1 19 9101 1 1 20 LYS HB3 H -7.591 3.805 3.578 1.00 . A A . 19 LYS HB3 1 1 19 9102 1 1 20 LYS HD2 H -4.890 6.267 4.202 1.00 . A A . 19 LYS HD2 1 1 19 9103 1 1 20 LYS HD3 H -6.085 6.650 5.443 1.00 . A A . 19 LYS HD3 1 1 19 9104 1 1 20 LYS HE2 H -4.772 5.432 7.095 1.00 . A A . 19 LYS HE2 1 1 19 9105 1 1 20 LYS HE3 H -3.593 5.006 5.856 1.00 . A A . 19 LYS HE3 1 1 19 9106 1 1 20 LYS HG2 H -6.595 4.293 5.721 1.00 . A A . 19 LYS HG2 1 1 19 9107 1 1 20 LYS HG3 H -5.343 3.863 4.554 1.00 . A A . 19 LYS HG3 1 1 19 9108 1 1 20 LYS HZ1 H -4.200 7.725 6.878 1.00 . A A . 19 LYS HZ1 1 1 19 9109 1 1 20 LYS HZ2 H -3.200 7.419 5.555 1.00 . A A . 19 LYS HZ2 1 1 19 9110 1 1 20 LYS HZ3 H -2.767 6.852 7.087 1.00 . A A . 19 LYS HZ3 1 1 19 9111 1 1 20 LYS N N -7.469 5.301 1.330 1.00 . A A . 19 LYS N 1 1 19 9112 1 1 20 LYS NZ N -3.566 7.026 6.443 1.00 . A A . 19 LYS NZ 1 1 19 9113 1 1 20 LYS O O -4.233 4.200 2.202 1.00 . A A . 19 LYS O 1 1 19 9114 1 1 21 4PH C33 C -2.981 -2.967 -2.841 1.00 . A A . 20 4PH C33 1 1 19 9115 1 1 21 4PH H33 H -1.966 -2.621 -2.973 1.00 . A A . 20 4PH H33 1 1 19 9116 1 1 21 4PH H33A H -2.983 -3.895 -2.285 1.00 . A A . 20 4PH H33A 1 1 19 9117 1 1 21 4PH H33B H -3.430 -3.121 -3.812 1.00 . A A . 20 4PH H33B 1 1 19 9118 1 1 22 GLN C C -2.539 5.059 -1.290 1.00 . A A . 21 GLN C 1 1 19 9119 1 1 22 GLN CA C -3.628 4.302 -2.046 1.00 . A A . 21 GLN CA 1 1 19 9120 1 1 22 GLN CB C -4.433 5.280 -2.902 1.00 . A A . 21 GLN CB 1 1 19 9121 1 1 22 GLN CD C -4.811 3.713 -4.842 1.00 . A A . 21 GLN CD 1 1 19 9122 1 1 22 GLN CG C -5.452 4.605 -3.801 1.00 . A A . 21 GLN CG 1 1 19 9123 1 1 22 GLN H H -5.467 3.799 -1.117 1.00 . A A . 21 GLN H 1 1 19 9124 1 1 22 GLN HA H -3.163 3.572 -2.690 1.00 . A A . 21 GLN HA 1 1 19 9125 1 1 22 GLN HB2 H -4.957 5.963 -2.250 1.00 . A A . 21 GLN HB2 1 1 19 9126 1 1 22 GLN HB3 H -3.751 5.841 -3.523 1.00 . A A . 21 GLN HB3 1 1 19 9127 1 1 22 GLN HE21 H -4.852 2.170 -3.599 1.00 . A A . 21 GLN HE21 1 1 19 9128 1 1 22 GLN HE22 H -4.195 1.853 -5.159 1.00 . A A . 21 GLN HE22 1 1 19 9129 1 1 22 GLN HG2 H -6.108 4.004 -3.190 1.00 . A A . 21 GLN HG2 1 1 19 9130 1 1 22 GLN HG3 H -6.028 5.368 -4.307 1.00 . A A . 21 GLN HG3 1 1 19 9131 1 1 22 GLN N N -4.507 3.589 -1.122 1.00 . A A . 21 GLN N 1 1 19 9132 1 1 22 GLN NE2 N -4.594 2.455 -4.496 1.00 . A A . 21 GLN NE2 1 1 19 9133 1 1 22 GLN O O -1.407 5.178 -1.762 1.00 . A A . 21 GLN O 1 1 19 9134 1 1 22 GLN OE1 O -4.506 4.155 -5.949 1.00 . A A . 21 GLN OE1 1 1 19 9135 1 1 23 ALA C C -0.868 5.366 1.258 1.00 . A A . 22 ALA C 1 1 19 9136 1 1 23 ALA CA C -1.955 6.290 0.726 1.00 . A A . 22 ALA CA 1 1 19 9137 1 1 23 ALA CB C -2.697 6.952 1.871 1.00 . A A . 22 ALA CB 1 1 19 9138 1 1 23 ALA H H -3.807 5.427 0.207 1.00 . A A . 22 ALA H 1 1 19 9139 1 1 23 ALA HA H -1.500 7.063 0.126 1.00 . A A . 22 ALA HA 1 1 19 9140 1 1 23 ALA HB1 H -3.152 6.191 2.489 1.00 . A A . 22 ALA HB1 1 1 19 9141 1 1 23 ALA HB2 H -3.464 7.601 1.475 1.00 . A A . 22 ALA HB2 1 1 19 9142 1 1 23 ALA HB3 H -2.004 7.530 2.463 1.00 . A A . 22 ALA HB3 1 1 19 9143 1 1 23 ALA N N -2.891 5.558 -0.112 1.00 . A A . 22 ALA N 1 1 19 9144 1 1 23 ALA O O 0.301 5.743 1.337 1.00 . A A . 22 ALA O 1 1 19 9145 1 1 24 ASP C C 0.610 2.708 0.960 1.00 . A A . 23 ASP C 1 1 19 9146 1 1 24 ASP CA C -0.301 3.155 2.099 1.00 . A A . 23 ASP CA 1 1 19 9147 1 1 24 ASP CB C -1.011 1.943 2.703 1.00 . A A . 23 ASP CB 1 1 19 9148 1 1 24 ASP CG C -0.050 1.035 3.446 1.00 . A A . 23 ASP CG 1 1 19 9149 1 1 24 ASP H H -2.213 3.923 1.571 1.00 . A A . 23 ASP H 1 1 19 9150 1 1 24 ASP HA H 0.305 3.623 2.861 1.00 . A A . 23 ASP HA 1 1 19 9151 1 1 24 ASP HB2 H -1.775 2.276 3.389 1.00 . A A . 23 ASP HB2 1 1 19 9152 1 1 24 ASP HB3 H -1.469 1.371 1.909 1.00 . A A . 23 ASP HB3 1 1 19 9153 1 1 24 ASP N N -1.258 4.150 1.618 1.00 . A A . 23 ASP N 1 1 19 9154 1 1 24 ASP O O 1.793 2.431 1.167 1.00 . A A . 23 ASP O 1 1 19 9155 1 1 24 ASP OD1 O 0.435 1.429 4.528 1.00 . A A . 23 ASP OD1 1 1 19 9156 1 1 24 ASP OD2 O 0.220 -0.082 2.956 1.00 . A A . 23 ASP OD2 1 1 19 9157 1 1 25 LEU C C 1.894 3.447 -1.650 1.00 . A A . 24 LEU C 1 1 19 9158 1 1 25 LEU CA C 0.851 2.366 -1.441 1.00 . A A . 24 LEU CA 1 1 19 9159 1 1 25 LEU CB C -0.025 2.247 -2.696 1.00 . A A . 24 LEU CB 1 1 19 9160 1 1 25 LEU CD1 C 0.511 -0.081 -3.460 1.00 . A A . 24 LEU CD1 1 1 19 9161 1 1 25 LEU CD2 C -1.279 0.283 -1.766 1.00 . A A . 24 LEU CD2 1 1 19 9162 1 1 25 LEU CG C -0.592 0.855 -2.989 1.00 . A A . 24 LEU CG 1 1 19 9163 1 1 25 LEU H H -0.915 2.774 -0.335 1.00 . A A . 24 LEU H 1 1 19 9164 1 1 25 LEU HA H 1.356 1.428 -1.279 1.00 . A A . 24 LEU HA 1 1 19 9165 1 1 25 LEU HB2 H -0.855 2.933 -2.593 1.00 . A A . 24 LEU HB2 1 1 19 9166 1 1 25 LEU HB3 H 0.567 2.552 -3.547 1.00 . A A . 24 LEU HB3 1 1 19 9167 1 1 25 LEU HD11 H 1.251 -0.190 -2.679 1.00 . A A . 24 LEU HD11 1 1 19 9168 1 1 25 LEU HD12 H 0.980 0.329 -4.342 1.00 . A A . 24 LEU HD12 1 1 19 9169 1 1 25 LEU HD13 H 0.087 -1.048 -3.693 1.00 . A A . 24 LEU HD13 1 1 19 9170 1 1 25 LEU HD21 H -2.091 0.932 -1.473 1.00 . A A . 24 LEU HD21 1 1 19 9171 1 1 25 LEU HD22 H -0.568 0.206 -0.956 1.00 . A A . 24 LEU HD22 1 1 19 9172 1 1 25 LEU HD23 H -1.669 -0.698 -1.998 1.00 . A A . 24 LEU HD23 1 1 19 9173 1 1 25 LEU HG H -1.324 0.930 -3.780 1.00 . A A . 24 LEU HG 1 1 19 9174 1 1 25 LEU N N 0.054 2.643 -0.247 1.00 . A A . 24 LEU N 1 1 19 9175 1 1 25 LEU O O 3.009 3.165 -2.078 1.00 . A A . 24 LEU O 1 1 19 9176 1 1 26 ALA C C 3.622 5.623 -0.485 1.00 . A A . 25 ALA C 1 1 19 9177 1 1 26 ALA CA C 2.452 5.801 -1.444 1.00 . A A . 25 ALA CA 1 1 19 9178 1 1 26 ALA CB C 1.724 7.106 -1.174 1.00 . A A . 25 ALA CB 1 1 19 9179 1 1 26 ALA H H 0.614 4.844 -1.016 1.00 . A A . 25 ALA H 1 1 19 9180 1 1 26 ALA HA H 2.830 5.825 -2.457 1.00 . A A . 25 ALA HA 1 1 19 9181 1 1 26 ALA HB1 H 2.410 7.931 -1.289 1.00 . A A . 25 ALA HB1 1 1 19 9182 1 1 26 ALA HB2 H 1.336 7.095 -0.167 1.00 . A A . 25 ALA HB2 1 1 19 9183 1 1 26 ALA HB3 H 0.908 7.213 -1.873 1.00 . A A . 25 ALA HB3 1 1 19 9184 1 1 26 ALA N N 1.530 4.682 -1.334 1.00 . A A . 25 ALA N 1 1 19 9185 1 1 26 ALA O O 4.760 5.974 -0.801 1.00 . A A . 25 ALA O 1 1 19 9186 1 1 27 LYS C C 5.238 3.602 1.108 1.00 . A A . 26 LYS C 1 1 19 9187 1 1 27 LYS CA C 4.377 4.736 1.650 1.00 . A A . 26 LYS CA 1 1 19 9188 1 1 27 LYS CB C 3.768 4.325 2.995 1.00 . A A . 26 LYS CB 1 1 19 9189 1 1 27 LYS CD C 4.066 6.558 4.113 1.00 . A A . 26 LYS CD 1 1 19 9190 1 1 27 LYS CE C 3.468 7.508 5.139 1.00 . A A . 26 LYS CE 1 1 19 9191 1 1 27 LYS CG C 3.086 5.457 3.745 1.00 . A A . 26 LYS CG 1 1 19 9192 1 1 27 LYS H H 2.399 4.888 0.916 1.00 . A A . 26 LYS H 1 1 19 9193 1 1 27 LYS HA H 4.994 5.610 1.791 1.00 . A A . 26 LYS HA 1 1 19 9194 1 1 27 LYS HB2 H 3.036 3.549 2.823 1.00 . A A . 26 LYS HB2 1 1 19 9195 1 1 27 LYS HB3 H 4.551 3.929 3.622 1.00 . A A . 26 LYS HB3 1 1 19 9196 1 1 27 LYS HD2 H 4.957 6.111 4.527 1.00 . A A . 26 LYS HD2 1 1 19 9197 1 1 27 LYS HD3 H 4.319 7.116 3.223 1.00 . A A . 26 LYS HD3 1 1 19 9198 1 1 27 LYS HE2 H 4.115 8.366 5.238 1.00 . A A . 26 LYS HE2 1 1 19 9199 1 1 27 LYS HE3 H 2.498 7.826 4.790 1.00 . A A . 26 LYS HE3 1 1 19 9200 1 1 27 LYS HG2 H 2.315 5.875 3.116 1.00 . A A . 26 LYS HG2 1 1 19 9201 1 1 27 LYS HG3 H 2.644 5.064 4.647 1.00 . A A . 26 LYS HG3 1 1 19 9202 1 1 27 LYS HZ1 H 2.800 7.491 7.118 1.00 . A A . 26 LYS HZ1 1 1 19 9203 1 1 27 LYS HZ2 H 4.251 6.655 6.878 1.00 . A A . 26 LYS HZ2 1 1 19 9204 1 1 27 LYS HZ3 H 2.788 5.970 6.380 1.00 . A A . 26 LYS HZ3 1 1 19 9205 1 1 27 LYS N N 3.336 5.071 0.689 1.00 . A A . 26 LYS N 1 1 19 9206 1 1 27 LYS NZ N 3.315 6.861 6.470 1.00 . A A . 26 LYS NZ 1 1 19 9207 1 1 27 LYS O O 6.465 3.679 1.121 1.00 . A A . 26 LYS O 1 1 19 9208 1 1 28 4PH C33 C 6.434 -3.770 -3.583 1.00 . A A . 27 4PH C33 1 1 19 9209 1 1 28 4PH H33 H 7.440 -3.977 -3.254 1.00 . A A . 27 4PH H33 1 1 19 9210 1 1 28 4PH H33A H 5.837 -4.668 -3.527 1.00 . A A . 27 4PH H33A 1 1 19 9211 1 1 28 4PH H33B H 6.462 -3.414 -4.604 1.00 . A A . 27 4PH H33B 1 1 19 9212 1 1 29 GLN C C 7.558 3.784 -2.896 1.00 . A A . 28 GLN C 1 1 19 9213 1 1 29 GLN CA C 6.373 2.884 -3.234 1.00 . A A . 28 GLN CA 1 1 19 9214 1 1 29 GLN CB C 5.463 3.567 -4.255 1.00 . A A . 28 GLN CB 1 1 19 9215 1 1 29 GLN CD C 5.112 1.499 -5.678 1.00 . A A . 28 GLN CD 1 1 19 9216 1 1 29 GLN CG C 4.453 2.622 -4.894 1.00 . A A . 28 GLN CG 1 1 19 9217 1 1 29 GLN H H 4.701 2.847 -1.930 1.00 . A A . 28 GLN H 1 1 19 9218 1 1 29 GLN HA H 6.751 1.971 -3.668 1.00 . A A . 28 GLN HA 1 1 19 9219 1 1 29 GLN HB2 H 4.921 4.366 -3.765 1.00 . A A . 28 GLN HB2 1 1 19 9220 1 1 29 GLN HB3 H 6.079 3.987 -5.037 1.00 . A A . 28 GLN HB3 1 1 19 9221 1 1 29 GLN HE21 H 3.562 0.311 -5.332 1.00 . A A . 28 GLN HE21 1 1 19 9222 1 1 29 GLN HE22 H 4.834 -0.375 -6.276 1.00 . A A . 28 GLN HE22 1 1 19 9223 1 1 29 GLN HG2 H 3.845 2.186 -4.115 1.00 . A A . 28 GLN HG2 1 1 19 9224 1 1 29 GLN HG3 H 3.823 3.187 -5.562 1.00 . A A . 28 GLN HG3 1 1 19 9225 1 1 29 GLN N N 5.624 2.520 -2.039 1.00 . A A . 28 GLN N 1 1 19 9226 1 1 29 GLN NE2 N 4.435 0.364 -5.768 1.00 . A A . 28 GLN NE2 1 1 19 9227 1 1 29 GLN O O 8.642 3.635 -3.464 1.00 . A A . 28 GLN O 1 1 19 9228 1 1 29 GLN OE1 O 6.215 1.651 -6.203 1.00 . A A . 28 GLN OE1 1 1 19 9229 1 1 30 LYS C C 9.510 4.862 -0.797 1.00 . A A . 29 LYS C 1 1 19 9230 1 1 30 LYS CA C 8.420 5.615 -1.557 1.00 . A A . 29 LYS CA 1 1 19 9231 1 1 30 LYS CB C 7.860 6.746 -0.686 1.00 . A A . 29 LYS CB 1 1 19 9232 1 1 30 LYS CD C 8.313 8.878 0.573 1.00 . A A . 29 LYS CD 1 1 19 9233 1 1 30 LYS CE C 9.290 10.027 0.779 1.00 . A A . 29 LYS CE 1 1 19 9234 1 1 30 LYS CG C 8.883 7.820 -0.356 1.00 . A A . 29 LYS CG 1 1 19 9235 1 1 30 LYS H H 6.473 4.783 -1.544 1.00 . A A . 29 LYS H 1 1 19 9236 1 1 30 LYS HA H 8.850 6.041 -2.451 1.00 . A A . 29 LYS HA 1 1 19 9237 1 1 30 LYS HB2 H 7.036 7.213 -1.207 1.00 . A A . 29 LYS HB2 1 1 19 9238 1 1 30 LYS HB3 H 7.498 6.326 0.241 1.00 . A A . 29 LYS HB3 1 1 19 9239 1 1 30 LYS HD2 H 7.402 9.266 0.145 1.00 . A A . 29 LYS HD2 1 1 19 9240 1 1 30 LYS HD3 H 8.099 8.425 1.529 1.00 . A A . 29 LYS HD3 1 1 19 9241 1 1 30 LYS HE2 H 9.481 10.493 -0.176 1.00 . A A . 29 LYS HE2 1 1 19 9242 1 1 30 LYS HE3 H 8.840 10.748 1.445 1.00 . A A . 29 LYS HE3 1 1 19 9243 1 1 30 LYS HG2 H 9.731 7.357 0.126 1.00 . A A . 29 LYS HG2 1 1 19 9244 1 1 30 LYS HG3 H 9.203 8.294 -1.273 1.00 . A A . 29 LYS HG3 1 1 19 9245 1 1 30 LYS HZ1 H 11.229 10.380 1.470 1.00 . A A . 29 LYS HZ1 1 1 19 9246 1 1 30 LYS HZ2 H 11.031 8.872 0.736 1.00 . A A . 29 LYS HZ2 1 1 19 9247 1 1 30 LYS HZ3 H 10.426 9.140 2.290 1.00 . A A . 29 LYS HZ3 1 1 19 9248 1 1 30 LYS N N 7.357 4.707 -1.963 1.00 . A A . 29 LYS N 1 1 19 9249 1 1 30 LYS NZ N 10.583 9.572 1.358 1.00 . A A . 29 LYS NZ 1 1 19 9250 1 1 30 LYS O O 10.705 5.100 -0.999 1.00 . A A . 29 LYS O 1 1 19 9251 1 1 31 ASP C C 10.751 2.126 0.010 1.00 . A A . 30 ASP C 1 1 19 9252 1 1 31 ASP CA C 10.033 3.164 0.867 1.00 . A A . 30 ASP CA 1 1 19 9253 1 1 31 ASP CB C 9.319 2.482 2.042 1.00 . A A . 30 ASP CB 1 1 19 9254 1 1 31 ASP CG C 10.271 1.694 2.919 1.00 . A A . 30 ASP CG 1 1 19 9255 1 1 31 ASP H H 8.126 3.791 0.175 1.00 . A A . 30 ASP H 1 1 19 9256 1 1 31 ASP HA H 10.768 3.851 1.259 1.00 . A A . 30 ASP HA 1 1 19 9257 1 1 31 ASP HB2 H 8.841 3.234 2.654 1.00 . A A . 30 ASP HB2 1 1 19 9258 1 1 31 ASP HB3 H 8.570 1.806 1.661 1.00 . A A . 30 ASP HB3 1 1 19 9259 1 1 31 ASP N N 9.093 3.943 0.066 1.00 . A A . 30 ASP N 1 1 19 9260 1 1 31 ASP O O 11.927 1.839 0.226 1.00 . A A . 30 ASP O 1 1 19 9261 1 1 31 ASP OD1 O 11.249 2.283 3.427 1.00 . A A . 30 ASP OD1 1 1 19 9262 1 1 31 ASP OD2 O 10.052 0.479 3.102 1.00 . A A . 30 ASP OD2 1 1 19 9263 1 1 32 LEU C C 11.756 1.230 -2.680 1.00 . A A . 31 LEU C 1 1 19 9264 1 1 32 LEU CA C 10.622 0.592 -1.881 1.00 . A A . 31 LEU CA 1 1 19 9265 1 1 32 LEU CB C 9.532 0.049 -2.825 1.00 . A A . 31 LEU CB 1 1 19 9266 1 1 32 LEU CD1 C 10.921 -1.368 -4.390 1.00 . A A . 31 LEU CD1 1 1 19 9267 1 1 32 LEU CD2 C 9.992 -2.357 -2.300 1.00 . A A . 31 LEU CD2 1 1 19 9268 1 1 32 LEU CG C 9.761 -1.352 -3.413 1.00 . A A . 31 LEU CG 1 1 19 9269 1 1 32 LEU H H 9.101 1.829 -1.083 1.00 . A A . 31 LEU H 1 1 19 9270 1 1 32 LEU HA H 11.022 -0.216 -1.290 1.00 . A A . 31 LEU HA 1 1 19 9271 1 1 32 LEU HB2 H 8.599 0.031 -2.281 1.00 . A A . 31 LEU HB2 1 1 19 9272 1 1 32 LEU HB3 H 9.431 0.742 -3.646 1.00 . A A . 31 LEU HB3 1 1 19 9273 1 1 32 LEU HD11 H 11.059 -2.370 -4.769 1.00 . A A . 31 LEU HD11 1 1 19 9274 1 1 32 LEU HD12 H 11.820 -1.046 -3.885 1.00 . A A . 31 LEU HD12 1 1 19 9275 1 1 32 LEU HD13 H 10.710 -0.699 -5.211 1.00 . A A . 31 LEU HD13 1 1 19 9276 1 1 32 LEU HD21 H 10.025 -3.353 -2.716 1.00 . A A . 31 LEU HD21 1 1 19 9277 1 1 32 LEU HD22 H 9.187 -2.290 -1.583 1.00 . A A . 31 LEU HD22 1 1 19 9278 1 1 32 LEU HD23 H 10.931 -2.141 -1.811 1.00 . A A . 31 LEU HD23 1 1 19 9279 1 1 32 LEU HG H 8.873 -1.655 -3.950 1.00 . A A . 31 LEU HG 1 1 19 9280 1 1 32 LEU N N 10.044 1.576 -0.973 1.00 . A A . 31 LEU N 1 1 19 9281 1 1 32 LEU O O 12.820 0.638 -2.850 1.00 . A A . 31 LEU O 1 1 19 9282 1 1 33 ALA C C 13.734 3.504 -3.030 1.00 . A A . 32 ALA C 1 1 19 9283 1 1 33 ALA CA C 12.521 3.194 -3.900 1.00 . A A . 32 ALA CA 1 1 19 9284 1 1 33 ALA CB C 11.914 4.476 -4.443 1.00 . A A . 32 ALA CB 1 1 19 9285 1 1 33 ALA H H 10.644 2.857 -2.992 1.00 . A A . 32 ALA H 1 1 19 9286 1 1 33 ALA HA H 12.833 2.587 -4.736 1.00 . A A . 32 ALA HA 1 1 19 9287 1 1 33 ALA HB1 H 11.594 5.098 -3.621 1.00 . A A . 32 ALA HB1 1 1 19 9288 1 1 33 ALA HB2 H 11.064 4.235 -5.065 1.00 . A A . 32 ALA HB2 1 1 19 9289 1 1 33 ALA HB3 H 12.651 5.004 -5.029 1.00 . A A . 32 ALA HB3 1 1 19 9290 1 1 33 ALA N N 11.521 2.449 -3.149 1.00 . A A . 32 ALA N 1 1 19 9291 1 1 33 ALA O O 14.877 3.394 -3.475 1.00 . A A . 32 ALA O 1 1 19 9292 1 1 34 ASP C C 15.347 2.917 -0.534 1.00 . A A . 33 ASP C 1 1 19 9293 1 1 34 ASP CA C 14.532 4.173 -0.824 1.00 . A A . 33 ASP CA 1 1 19 9294 1 1 34 ASP CB C 13.941 4.729 0.478 1.00 . A A . 33 ASP CB 1 1 19 9295 1 1 34 ASP CG C 14.991 4.973 1.544 1.00 . A A . 33 ASP CG 1 1 19 9296 1 1 34 ASP H H 12.534 3.982 -1.509 1.00 . A A . 33 ASP H 1 1 19 9297 1 1 34 ASP HA H 15.184 4.914 -1.260 1.00 . A A . 33 ASP HA 1 1 19 9298 1 1 34 ASP HB2 H 13.447 5.666 0.270 1.00 . A A . 33 ASP HB2 1 1 19 9299 1 1 34 ASP HB3 H 13.220 4.027 0.866 1.00 . A A . 33 ASP HB3 1 1 19 9300 1 1 34 ASP N N 13.470 3.886 -1.786 1.00 . A A . 33 ASP N 1 1 19 9301 1 1 34 ASP O O 16.567 2.974 -0.368 1.00 . A A . 33 ASP O 1 1 19 9302 1 1 34 ASP OD1 O 15.639 6.040 1.512 1.00 . A A . 33 ASP OD1 1 1 19 9303 1 1 34 ASP OD2 O 15.184 4.095 2.411 1.00 . A A . 33 ASP OD2 1 1 19 9304 1 1 35 4PH C33 C 16.249 -5.554 1.782 1.00 . A A . 34 4PH C33 1 1 19 9305 1 1 35 4PH H33 H 17.274 -5.673 1.472 1.00 . A A . 34 4PH H33 1 1 19 9306 1 1 35 4PH H33A H 16.184 -5.614 2.859 1.00 . A A . 34 4PH H33A 1 1 19 9307 1 1 35 4PH H33B H 15.650 -6.339 1.338 1.00 . A A . 34 4PH H33B 1 1 19 9308 1 1 36 NH2 HN1 H 14.649 0.604 -2.663 1.00 . A A . 35 NH2 HN1 1 1 19 9309 1 1 36 NH2 HN2 H 16.071 -0.016 -3.425 1.00 . A A . 35 NH2 HN2 1 1 19 9310 1 1 36 NH2 N N 15.562 0.238 -2.630 1.00 . A A . 35 NH2 N 1 1 20 9311 1 1 1 ACE C C 12.819 -3.440 5.258 1.00 . A A . 0 ACE C 1 1 20 9312 1 1 1 ACE CH3 C 13.776 -2.495 4.587 1.00 . A A . 0 ACE CH3 1 1 20 9313 1 1 1 ACE H1 H 14.520 -3.080 4.057 1.00 . A A . 0 ACE H1 1 1 20 9314 1 1 1 ACE H2 H 14.259 -1.889 5.329 1.00 . A A . 0 ACE H2 1 1 20 9315 1 1 1 ACE H3 H 13.219 -1.860 3.908 1.00 . A A . 0 ACE H3 1 1 20 9316 1 1 1 ACE O O 12.211 -3.105 6.274 1.00 . A A . 0 ACE O 1 1 20 9317 1 1 2 PRO C C 10.563 -4.275 3.411 1.00 . A A . 1 PRO C 1 1 20 9318 1 1 2 PRO CA C 11.987 -4.831 3.402 1.00 . A A . 1 PRO CA 1 1 20 9319 1 1 2 PRO CB C 11.965 -6.355 3.234 1.00 . A A . 1 PRO CB 1 1 20 9320 1 1 2 PRO CD C 13.132 -5.912 5.265 1.00 . A A . 1 PRO CD 1 1 20 9321 1 1 2 PRO CG C 13.065 -6.856 4.098 1.00 . A A . 1 PRO CG 1 1 20 9322 1 1 2 PRO HA H 12.548 -4.383 2.595 1.00 . A A . 1 PRO HA 1 1 20 9323 1 1 2 PRO HB2 H 11.008 -6.746 3.558 1.00 . A A . 1 PRO HB2 1 1 20 9324 1 1 2 PRO HB3 H 12.151 -6.622 2.206 1.00 . A A . 1 PRO HB3 1 1 20 9325 1 1 2 PRO HD2 H 12.480 -6.242 6.063 1.00 . A A . 1 PRO HD2 1 1 20 9326 1 1 2 PRO HD3 H 14.149 -5.815 5.618 1.00 . A A . 1 PRO HD3 1 1 20 9327 1 1 2 PRO HG2 H 12.839 -7.861 4.430 1.00 . A A . 1 PRO HG2 1 1 20 9328 1 1 2 PRO HG3 H 14.000 -6.838 3.554 1.00 . A A . 1 PRO HG3 1 1 20 9329 1 1 2 PRO N N 12.656 -4.642 4.695 1.00 . A A . 1 PRO N 1 1 20 9330 1 1 2 PRO O O 9.748 -4.655 4.253 1.00 . A A . 1 PRO O 1 1 20 9331 1 1 3 PRO C C 7.860 -3.813 2.065 1.00 . A A . 2 PRO C 1 1 20 9332 1 1 3 PRO CA C 8.918 -2.762 2.366 1.00 . A A . 2 PRO CA 1 1 20 9333 1 1 3 PRO CB C 9.036 -1.794 1.184 1.00 . A A . 2 PRO CB 1 1 20 9334 1 1 3 PRO CD C 11.197 -2.790 1.500 1.00 . A A . 2 PRO CD 1 1 20 9335 1 1 3 PRO CG C 10.491 -1.568 0.986 1.00 . A A . 2 PRO CG 1 1 20 9336 1 1 3 PRO HA H 8.643 -2.216 3.258 1.00 . A A . 2 PRO HA 1 1 20 9337 1 1 3 PRO HB2 H 8.594 -2.242 0.303 1.00 . A A . 2 PRO HB2 1 1 20 9338 1 1 3 PRO HB3 H 8.545 -0.860 1.415 1.00 . A A . 2 PRO HB3 1 1 20 9339 1 1 3 PRO HD2 H 11.372 -3.493 0.698 1.00 . A A . 2 PRO HD2 1 1 20 9340 1 1 3 PRO HD3 H 12.131 -2.514 1.971 1.00 . A A . 2 PRO HD3 1 1 20 9341 1 1 3 PRO HG2 H 10.693 -1.431 -0.065 1.00 . A A . 2 PRO HG2 1 1 20 9342 1 1 3 PRO HG3 H 10.803 -0.699 1.545 1.00 . A A . 2 PRO HG3 1 1 20 9343 1 1 3 PRO N N 10.258 -3.346 2.489 1.00 . A A . 2 PRO N 1 1 20 9344 1 1 3 PRO O O 7.817 -4.370 0.967 1.00 . A A . 2 PRO O 1 1 20 9345 1 1 4 THR C C 4.837 -4.521 2.019 1.00 . A A . 3 THR C 1 1 20 9346 1 1 4 THR CA C 5.960 -5.067 2.891 1.00 . A A . 3 THR CA 1 1 20 9347 1 1 4 THR CB C 5.405 -5.487 4.263 1.00 . A A . 3 THR CB 1 1 20 9348 1 1 4 THR CG2 C 6.337 -6.479 4.938 1.00 . A A . 3 THR CG2 1 1 20 9349 1 1 4 THR H H 7.109 -3.627 3.902 1.00 . A A . 3 THR H 1 1 20 9350 1 1 4 THR HA H 6.382 -5.939 2.416 1.00 . A A . 3 THR HA 1 1 20 9351 1 1 4 THR HB H 4.446 -5.959 4.118 1.00 . A A . 3 THR HB 1 1 20 9352 1 1 4 THR HG1 H 4.392 -4.388 5.558 1.00 . A A . 3 THR HG1 1 1 20 9353 1 1 4 THR HG21 H 6.448 -7.350 4.310 1.00 . A A . 3 THR HG21 1 1 20 9354 1 1 4 THR HG22 H 5.922 -6.771 5.890 1.00 . A A . 3 THR HG22 1 1 20 9355 1 1 4 THR HG23 H 7.303 -6.022 5.091 1.00 . A A . 3 THR HG23 1 1 20 9356 1 1 4 THR N N 7.018 -4.092 3.046 1.00 . A A . 3 THR N 1 1 20 9357 1 1 4 THR O O 4.117 -3.600 2.415 1.00 . A A . 3 THR O 1 1 20 9358 1 1 4 THR OG1 O 5.238 -4.330 5.099 1.00 . A A . 3 THR OG1 1 1 20 9359 1 1 5 LYS C C 2.287 -4.930 0.433 1.00 . A A . 4 LYS C 1 1 20 9360 1 1 5 LYS CA C 3.680 -4.635 -0.112 1.00 . A A . 4 LYS CA 1 1 20 9361 1 1 5 LYS CB C 3.859 -5.298 -1.481 1.00 . A A . 4 LYS CB 1 1 20 9362 1 1 5 LYS CD C 3.750 -7.425 -2.812 1.00 . A A . 4 LYS CD 1 1 20 9363 1 1 5 LYS CE C 4.891 -6.999 -3.724 1.00 . A A . 4 LYS CE 1 1 20 9364 1 1 5 LYS CG C 3.873 -6.811 -1.429 1.00 . A A . 4 LYS CG 1 1 20 9365 1 1 5 LYS H H 5.319 -5.796 0.564 1.00 . A A . 4 LYS H 1 1 20 9366 1 1 5 LYS HA H 3.783 -3.570 -0.227 1.00 . A A . 4 LYS HA 1 1 20 9367 1 1 5 LYS HB2 H 3.051 -4.991 -2.129 1.00 . A A . 4 LYS HB2 1 1 20 9368 1 1 5 LYS HB3 H 4.794 -4.968 -1.907 1.00 . A A . 4 LYS HB3 1 1 20 9369 1 1 5 LYS HD2 H 3.764 -8.501 -2.721 1.00 . A A . 4 LYS HD2 1 1 20 9370 1 1 5 LYS HD3 H 2.815 -7.112 -3.251 1.00 . A A . 4 LYS HD3 1 1 20 9371 1 1 5 LYS HE2 H 4.875 -5.924 -3.821 1.00 . A A . 4 LYS HE2 1 1 20 9372 1 1 5 LYS HE3 H 5.826 -7.307 -3.279 1.00 . A A . 4 LYS HE3 1 1 20 9373 1 1 5 LYS HG2 H 4.803 -7.132 -0.990 1.00 . A A . 4 LYS HG2 1 1 20 9374 1 1 5 LYS HG3 H 3.048 -7.140 -0.818 1.00 . A A . 4 LYS HG3 1 1 20 9375 1 1 5 LYS HZ1 H 5.525 -7.252 -5.694 1.00 . A A . 4 LYS HZ1 1 1 20 9376 1 1 5 LYS HZ2 H 3.852 -7.370 -5.492 1.00 . A A . 4 LYS HZ2 1 1 20 9377 1 1 5 LYS HZ3 H 4.855 -8.643 -5.005 1.00 . A A . 4 LYS HZ3 1 1 20 9378 1 1 5 LYS N N 4.708 -5.073 0.822 1.00 . A A . 4 LYS N 1 1 20 9379 1 1 5 LYS NZ N 4.773 -7.607 -5.072 1.00 . A A . 4 LYS NZ 1 1 20 9380 1 1 5 LYS O O 2.049 -5.994 1.009 1.00 . A A . 4 LYS O 1 1 20 9381 1 1 6 PRO C C -0.775 -5.200 -0.077 1.00 . A A . 5 PRO C 1 1 20 9382 1 1 6 PRO CA C -0.025 -4.149 0.731 1.00 . A A . 5 PRO CA 1 1 20 9383 1 1 6 PRO CB C -0.651 -2.774 0.506 1.00 . A A . 5 PRO CB 1 1 20 9384 1 1 6 PRO CD C 1.576 -2.656 -0.341 1.00 . A A . 5 PRO CD 1 1 20 9385 1 1 6 PRO CG C 0.184 -2.132 -0.542 1.00 . A A . 5 PRO CG 1 1 20 9386 1 1 6 PRO HA H -0.072 -4.403 1.779 1.00 . A A . 5 PRO HA 1 1 20 9387 1 1 6 PRO HB2 H -1.672 -2.888 0.173 1.00 . A A . 5 PRO HB2 1 1 20 9388 1 1 6 PRO HB3 H -0.617 -2.194 1.413 1.00 . A A . 5 PRO HB3 1 1 20 9389 1 1 6 PRO HD2 H 2.080 -2.752 -1.292 1.00 . A A . 5 PRO HD2 1 1 20 9390 1 1 6 PRO HD3 H 2.133 -2.007 0.324 1.00 . A A . 5 PRO HD3 1 1 20 9391 1 1 6 PRO HG2 H -0.184 -2.403 -1.522 1.00 . A A . 5 PRO HG2 1 1 20 9392 1 1 6 PRO HG3 H 0.171 -1.062 -0.415 1.00 . A A . 5 PRO HG3 1 1 20 9393 1 1 6 PRO N N 1.355 -3.978 0.278 1.00 . A A . 5 PRO N 1 1 20 9394 1 1 6 PRO O O -0.448 -5.457 -1.239 1.00 . A A . 5 PRO O 1 1 20 9395 1 1 7 THR C C -3.732 -6.073 -0.878 1.00 . A A . 6 THR C 1 1 20 9396 1 1 7 THR CA C -2.602 -6.780 -0.139 1.00 . A A . 6 THR CA 1 1 20 9397 1 1 7 THR CB C -3.180 -7.825 0.842 1.00 . A A . 6 THR CB 1 1 20 9398 1 1 7 THR CG2 C -4.150 -7.187 1.823 1.00 . A A . 6 THR CG2 1 1 20 9399 1 1 7 THR H H -1.956 -5.588 1.480 1.00 . A A . 6 THR H 1 1 20 9400 1 1 7 THR HA H -1.986 -7.296 -0.859 1.00 . A A . 6 THR HA 1 1 20 9401 1 1 7 THR HB H -2.364 -8.257 1.399 1.00 . A A . 6 THR HB 1 1 20 9402 1 1 7 THR HG1 H -4.633 -9.141 0.616 1.00 . A A . 6 THR HG1 1 1 20 9403 1 1 7 THR HG21 H -4.954 -6.718 1.276 1.00 . A A . 6 THR HG21 1 1 20 9404 1 1 7 THR HG22 H -3.633 -6.444 2.410 1.00 . A A . 6 THR HG22 1 1 20 9405 1 1 7 THR HG23 H -4.554 -7.946 2.475 1.00 . A A . 6 THR HG23 1 1 20 9406 1 1 7 THR N N -1.772 -5.806 0.542 1.00 . A A . 6 THR N 1 1 20 9407 1 1 7 THR O O -4.115 -4.955 -0.525 1.00 . A A . 6 THR O 1 1 20 9408 1 1 7 THR OG1 O -3.852 -8.867 0.123 1.00 . A A . 6 THR OG1 1 1 20 9409 1 1 8 LYS C C -6.656 -6.324 -2.046 1.00 . A A . 7 LYS C 1 1 20 9410 1 1 8 LYS CA C -5.301 -6.155 -2.732 1.00 . A A . 7 LYS CA 1 1 20 9411 1 1 8 LYS CB C -5.327 -6.844 -4.103 1.00 . A A . 7 LYS CB 1 1 20 9412 1 1 8 LYS CD C -3.238 -5.759 -5.068 1.00 . A A . 7 LYS CD 1 1 20 9413 1 1 8 LYS CE C -3.973 -4.977 -6.147 1.00 . A A . 7 LYS CE 1 1 20 9414 1 1 8 LYS CG C -3.946 -7.065 -4.721 1.00 . A A . 7 LYS CG 1 1 20 9415 1 1 8 LYS H H -3.911 -7.620 -2.112 1.00 . A A . 7 LYS H 1 1 20 9416 1 1 8 LYS HA H -5.101 -5.105 -2.864 1.00 . A A . 7 LYS HA 1 1 20 9417 1 1 8 LYS HB2 H -5.805 -7.806 -3.996 1.00 . A A . 7 LYS HB2 1 1 20 9418 1 1 8 LYS HB3 H -5.908 -6.241 -4.783 1.00 . A A . 7 LYS HB3 1 1 20 9419 1 1 8 LYS HD2 H -3.174 -5.150 -4.179 1.00 . A A . 7 LYS HD2 1 1 20 9420 1 1 8 LYS HD3 H -2.242 -5.989 -5.419 1.00 . A A . 7 LYS HD3 1 1 20 9421 1 1 8 LYS HE2 H -4.970 -4.756 -5.801 1.00 . A A . 7 LYS HE2 1 1 20 9422 1 1 8 LYS HE3 H -3.443 -4.053 -6.326 1.00 . A A . 7 LYS HE3 1 1 20 9423 1 1 8 LYS HG2 H -3.335 -7.608 -4.016 1.00 . A A . 7 LYS HG2 1 1 20 9424 1 1 8 LYS HG3 H -4.059 -7.651 -5.621 1.00 . A A . 7 LYS HG3 1 1 20 9425 1 1 8 LYS HZ1 H -3.110 -5.886 -7.816 1.00 . A A . 7 LYS HZ1 1 1 20 9426 1 1 8 LYS HZ2 H -4.630 -5.207 -8.114 1.00 . A A . 7 LYS HZ2 1 1 20 9427 1 1 8 LYS HZ3 H -4.506 -6.659 -7.260 1.00 . A A . 7 LYS HZ3 1 1 20 9428 1 1 8 LYS N N -4.246 -6.723 -1.906 1.00 . A A . 7 LYS N 1 1 20 9429 1 1 8 LYS NZ N -4.061 -5.734 -7.422 1.00 . A A . 7 LYS NZ 1 1 20 9430 1 1 8 LYS O O -7.116 -7.451 -1.850 1.00 . A A . 7 LYS O 1 1 20 9431 1 1 9 PRO C C -9.713 -5.756 -1.928 1.00 . A A . 8 PRO C 1 1 20 9432 1 1 9 PRO CA C -8.614 -5.260 -0.992 1.00 . A A . 8 PRO CA 1 1 20 9433 1 1 9 PRO CB C -8.878 -3.802 -0.583 1.00 . A A . 8 PRO CB 1 1 20 9434 1 1 9 PRO CD C -6.832 -3.830 -1.828 1.00 . A A . 8 PRO CD 1 1 20 9435 1 1 9 PRO CG C -7.585 -3.078 -0.766 1.00 . A A . 8 PRO CG 1 1 20 9436 1 1 9 PRO HA H -8.588 -5.885 -0.112 1.00 . A A . 8 PRO HA 1 1 20 9437 1 1 9 PRO HB2 H -9.646 -3.377 -1.218 1.00 . A A . 8 PRO HB2 1 1 20 9438 1 1 9 PRO HB3 H -9.186 -3.759 0.451 1.00 . A A . 8 PRO HB3 1 1 20 9439 1 1 9 PRO HD2 H -7.083 -3.452 -2.810 1.00 . A A . 8 PRO HD2 1 1 20 9440 1 1 9 PRO HD3 H -5.767 -3.762 -1.654 1.00 . A A . 8 PRO HD3 1 1 20 9441 1 1 9 PRO HG2 H -7.779 -2.060 -1.084 1.00 . A A . 8 PRO HG2 1 1 20 9442 1 1 9 PRO HG3 H -7.023 -3.080 0.157 1.00 . A A . 8 PRO HG3 1 1 20 9443 1 1 9 PRO N N -7.309 -5.214 -1.656 1.00 . A A . 8 PRO N 1 1 20 9444 1 1 9 PRO O O -9.812 -5.312 -3.075 1.00 . A A . 8 PRO O 1 1 20 9445 1 1 10 GLY C C -12.947 -6.605 -1.908 1.00 . A A . 9 GLY C 1 1 20 9446 1 1 10 GLY CA C -11.603 -7.211 -2.261 1.00 . A A . 9 GLY CA 1 1 20 9447 1 1 10 GLY H H -10.387 -7.024 -0.535 1.00 . A A . 9 GLY H 1 1 20 9448 1 1 10 GLY HA2 H -11.389 -7.003 -3.296 1.00 . A A . 9 GLY HA2 1 1 20 9449 1 1 10 GLY HA3 H -11.658 -8.282 -2.125 1.00 . A A . 9 GLY HA3 1 1 20 9450 1 1 10 GLY N N -10.524 -6.688 -1.447 1.00 . A A . 9 GLY N 1 1 20 9451 1 1 10 GLY O O -13.478 -5.783 -2.656 1.00 . A A . 9 GLY O 1 1 20 9452 1 1 11 ASP C C -14.603 -5.214 0.500 1.00 . A A . 10 ASP C 1 1 20 9453 1 1 11 ASP CA C -14.781 -6.492 -0.305 1.00 . A A . 10 ASP CA 1 1 20 9454 1 1 11 ASP CB C -15.498 -7.543 0.550 1.00 . A A . 10 ASP CB 1 1 20 9455 1 1 11 ASP CG C -14.881 -7.710 1.928 1.00 . A A . 10 ASP CG 1 1 20 9456 1 1 11 ASP H H -12.994 -7.629 -0.195 1.00 . A A . 10 ASP H 1 1 20 9457 1 1 11 ASP HA H -15.379 -6.276 -1.178 1.00 . A A . 10 ASP HA 1 1 20 9458 1 1 11 ASP HB2 H -16.530 -7.253 0.673 1.00 . A A . 10 ASP HB2 1 1 20 9459 1 1 11 ASP HB3 H -15.456 -8.496 0.042 1.00 . A A . 10 ASP HB3 1 1 20 9460 1 1 11 ASP N N -13.481 -6.987 -0.755 1.00 . A A . 10 ASP N 1 1 20 9461 1 1 11 ASP O O -15.492 -4.366 0.562 1.00 . A A . 10 ASP O 1 1 20 9462 1 1 11 ASP OD1 O -15.412 -7.134 2.901 1.00 . A A . 10 ASP OD1 1 1 20 9463 1 1 11 ASP OD2 O -13.860 -8.421 2.045 1.00 . A A . 10 ASP OD2 1 1 20 9464 1 1 12 ASN C C -12.492 -2.829 1.015 1.00 . A A . 11 ASN C 1 1 20 9465 1 1 12 ASN CA C -13.086 -3.919 1.900 1.00 . A A . 11 ASN CA 1 1 20 9466 1 1 12 ASN CB C -12.106 -4.304 3.016 1.00 . A A . 11 ASN CB 1 1 20 9467 1 1 12 ASN CG C -10.804 -4.892 2.495 1.00 . A A . 11 ASN CG 1 1 20 9468 1 1 12 ASN H H -12.772 -5.803 1.005 1.00 . A A . 11 ASN H 1 1 20 9469 1 1 12 ASN HA H -13.995 -3.545 2.345 1.00 . A A . 11 ASN HA 1 1 20 9470 1 1 12 ASN HB2 H -11.871 -3.422 3.594 1.00 . A A . 11 ASN HB2 1 1 20 9471 1 1 12 ASN HB3 H -12.576 -5.033 3.660 1.00 . A A . 11 ASN HB3 1 1 20 9472 1 1 12 ASN HD21 H -9.848 -4.280 4.122 1.00 . A A . 11 ASN HD21 1 1 20 9473 1 1 12 ASN HD22 H -8.890 -5.128 2.963 1.00 . A A . 11 ASN HD22 1 1 20 9474 1 1 12 ASN N N -13.433 -5.085 1.101 1.00 . A A . 11 ASN N 1 1 20 9475 1 1 12 ASN ND2 N -9.740 -4.748 3.269 1.00 . A A . 11 ASN ND2 1 1 20 9476 1 1 12 ASN O O -11.966 -1.831 1.501 1.00 . A A . 11 ASN O 1 1 20 9477 1 1 12 ASN OD1 O -10.759 -5.490 1.418 1.00 . A A . 11 ASN OD1 1 1 20 9478 1 1 13 ALA C C -13.000 -0.917 -1.486 1.00 . A A . 12 ALA C 1 1 20 9479 1 1 13 ALA CA C -12.063 -2.104 -1.279 1.00 . A A . 12 ALA CA 1 1 20 9480 1 1 13 ALA CB C -11.834 -2.826 -2.592 1.00 . A A . 12 ALA CB 1 1 20 9481 1 1 13 ALA H H -13.042 -3.843 -0.606 1.00 . A A . 12 ALA H 1 1 20 9482 1 1 13 ALA HA H -11.112 -1.742 -0.922 1.00 . A A . 12 ALA HA 1 1 20 9483 1 1 13 ALA HB1 H -11.248 -3.716 -2.416 1.00 . A A . 12 ALA HB1 1 1 20 9484 1 1 13 ALA HB2 H -11.305 -2.176 -3.272 1.00 . A A . 12 ALA HB2 1 1 20 9485 1 1 13 ALA HB3 H -12.785 -3.102 -3.021 1.00 . A A . 12 ALA HB3 1 1 20 9486 1 1 13 ALA N N -12.589 -3.037 -0.292 1.00 . A A . 12 ALA N 1 1 20 9487 1 1 13 ALA O O -12.994 -0.285 -2.544 1.00 . A A . 12 ALA O 1 1 20 9488 1 1 14 THR C C -13.990 1.803 -0.736 1.00 . A A . 13 THR C 1 1 20 9489 1 1 14 THR CA C -14.729 0.486 -0.515 1.00 . A A . 13 THR CA 1 1 20 9490 1 1 14 THR CB C -15.542 0.551 0.789 1.00 . A A . 13 THR CB 1 1 20 9491 1 1 14 THR CG2 C -16.661 -0.474 0.777 1.00 . A A . 13 THR CG2 1 1 20 9492 1 1 14 THR H H -13.735 -1.157 0.346 1.00 . A A . 13 THR H 1 1 20 9493 1 1 14 THR HA H -15.413 0.324 -1.333 1.00 . A A . 13 THR HA 1 1 20 9494 1 1 14 THR HB H -15.975 1.534 0.877 1.00 . A A . 13 THR HB 1 1 20 9495 1 1 14 THR HG1 H -14.713 1.072 2.507 1.00 . A A . 13 THR HG1 1 1 20 9496 1 1 14 THR HG21 H -17.232 -0.393 1.690 1.00 . A A . 13 THR HG21 1 1 20 9497 1 1 14 THR HG22 H -16.242 -1.466 0.703 1.00 . A A . 13 THR HG22 1 1 20 9498 1 1 14 THR HG23 H -17.306 -0.292 -0.069 1.00 . A A . 13 THR HG23 1 1 20 9499 1 1 14 THR N N -13.797 -0.625 -0.472 1.00 . A A . 13 THR N 1 1 20 9500 1 1 14 THR O O -12.891 1.987 -0.216 1.00 . A A . 13 THR O 1 1 20 9501 1 1 14 THR OG1 O -14.682 0.314 1.913 1.00 . A A . 13 THR OG1 1 1 20 9502 1 1 15 PRO C C -13.272 4.703 -0.699 1.00 . A A . 14 PRO C 1 1 20 9503 1 1 15 PRO CA C -13.975 4.014 -1.873 1.00 . A A . 14 PRO CA 1 1 20 9504 1 1 15 PRO CB C -15.179 4.837 -2.323 1.00 . A A . 14 PRO CB 1 1 20 9505 1 1 15 PRO CD C -15.893 2.540 -2.185 1.00 . A A . 14 PRO CD 1 1 20 9506 1 1 15 PRO CG C -16.127 3.849 -2.907 1.00 . A A . 14 PRO CG 1 1 20 9507 1 1 15 PRO HA H -13.282 3.917 -2.693 1.00 . A A . 14 PRO HA 1 1 20 9508 1 1 15 PRO HB2 H -15.619 5.340 -1.471 1.00 . A A . 14 PRO HB2 1 1 20 9509 1 1 15 PRO HB3 H -14.884 5.555 -3.070 1.00 . A A . 14 PRO HB3 1 1 20 9510 1 1 15 PRO HD2 H -16.667 2.370 -1.451 1.00 . A A . 14 PRO HD2 1 1 20 9511 1 1 15 PRO HD3 H -15.861 1.721 -2.888 1.00 . A A . 14 PRO HD3 1 1 20 9512 1 1 15 PRO HG2 H -17.145 4.190 -2.754 1.00 . A A . 14 PRO HG2 1 1 20 9513 1 1 15 PRO HG3 H -15.926 3.728 -3.963 1.00 . A A . 14 PRO HG3 1 1 20 9514 1 1 15 PRO N N -14.580 2.718 -1.530 1.00 . A A . 14 PRO N 1 1 20 9515 1 1 15 PRO O O -12.201 5.291 -0.871 1.00 . A A . 14 PRO O 1 1 20 9516 1 1 16 GLU C C -11.970 4.629 2.073 1.00 . A A . 15 GLU C 1 1 20 9517 1 1 16 GLU CA C -13.304 5.258 1.670 1.00 . A A . 15 GLU CA 1 1 20 9518 1 1 16 GLU CB C -14.285 5.197 2.843 1.00 . A A . 15 GLU CB 1 1 20 9519 1 1 16 GLU CD C -16.383 6.100 3.913 1.00 . A A . 15 GLU CD 1 1 20 9520 1 1 16 GLU CG C -15.477 6.130 2.701 1.00 . A A . 15 GLU CG 1 1 20 9521 1 1 16 GLU H H -14.694 4.094 0.569 1.00 . A A . 15 GLU H 1 1 20 9522 1 1 16 GLU HA H -13.128 6.293 1.421 1.00 . A A . 15 GLU HA 1 1 20 9523 1 1 16 GLU HB2 H -14.660 4.189 2.927 1.00 . A A . 15 GLU HB2 1 1 20 9524 1 1 16 GLU HB3 H -13.760 5.453 3.750 1.00 . A A . 15 GLU HB3 1 1 20 9525 1 1 16 GLU HG2 H -15.116 7.139 2.567 1.00 . A A . 15 GLU HG2 1 1 20 9526 1 1 16 GLU HG3 H -16.048 5.837 1.836 1.00 . A A . 15 GLU HG3 1 1 20 9527 1 1 16 GLU N N -13.864 4.614 0.488 1.00 . A A . 15 GLU N 1 1 20 9528 1 1 16 GLU O O -11.009 5.337 2.377 1.00 . A A . 15 GLU O 1 1 20 9529 1 1 16 GLU OE1 O -17.314 5.269 3.943 1.00 . A A . 15 GLU OE1 1 1 20 9530 1 1 16 GLU OE2 O -16.167 6.913 4.841 1.00 . A A . 15 GLU OE2 1 1 20 9531 1 1 17 LYS C C -9.723 2.547 1.265 1.00 . A A . 16 LYS C 1 1 20 9532 1 1 17 LYS CA C -10.685 2.606 2.442 1.00 . A A . 16 LYS CA 1 1 20 9533 1 1 17 LYS CB C -10.990 1.189 2.940 1.00 . A A . 16 LYS CB 1 1 20 9534 1 1 17 LYS CD C -10.069 -0.955 3.906 1.00 . A A . 16 LYS CD 1 1 20 9535 1 1 17 LYS CE C -8.878 -1.598 4.603 1.00 . A A . 16 LYS CE 1 1 20 9536 1 1 17 LYS CG C -9.769 0.483 3.513 1.00 . A A . 16 LYS CG 1 1 20 9537 1 1 17 LYS H H -12.680 2.788 1.769 1.00 . A A . 16 LYS H 1 1 20 9538 1 1 17 LYS HA H -10.222 3.168 3.240 1.00 . A A . 16 LYS HA 1 1 20 9539 1 1 17 LYS HB2 H -11.744 1.243 3.712 1.00 . A A . 16 LYS HB2 1 1 20 9540 1 1 17 LYS HB3 H -11.367 0.600 2.114 1.00 . A A . 16 LYS HB3 1 1 20 9541 1 1 17 LYS HD2 H -10.917 -0.966 4.574 1.00 . A A . 16 LYS HD2 1 1 20 9542 1 1 17 LYS HD3 H -10.302 -1.520 3.015 1.00 . A A . 16 LYS HD3 1 1 20 9543 1 1 17 LYS HE2 H -8.681 -1.062 5.518 1.00 . A A . 16 LYS HE2 1 1 20 9544 1 1 17 LYS HE3 H -9.126 -2.624 4.834 1.00 . A A . 16 LYS HE3 1 1 20 9545 1 1 17 LYS HG2 H -8.986 0.482 2.769 1.00 . A A . 16 LYS HG2 1 1 20 9546 1 1 17 LYS HG3 H -9.433 1.022 4.386 1.00 . A A . 16 LYS HG3 1 1 20 9547 1 1 17 LYS HZ1 H -6.830 -1.892 4.309 1.00 . A A . 16 LYS HZ1 1 1 20 9548 1 1 17 LYS HZ2 H -7.473 -0.613 3.411 1.00 . A A . 16 LYS HZ2 1 1 20 9549 1 1 17 LYS HZ3 H -7.770 -2.209 2.942 1.00 . A A . 16 LYS HZ3 1 1 20 9550 1 1 17 LYS N N -11.904 3.304 2.058 1.00 . A A . 16 LYS N 1 1 20 9551 1 1 17 LYS NZ N -7.655 -1.576 3.757 1.00 . A A . 16 LYS NZ 1 1 20 9552 1 1 17 LYS O O -8.512 2.459 1.444 1.00 . A A . 16 LYS O 1 1 20 9553 1 1 18 LEU C C -8.574 3.814 -1.206 1.00 . A A . 17 LEU C 1 1 20 9554 1 1 18 LEU CA C -9.470 2.580 -1.154 1.00 . A A . 17 LEU CA 1 1 20 9555 1 1 18 LEU CB C -10.376 2.531 -2.383 1.00 . A A . 17 LEU CB 1 1 20 9556 1 1 18 LEU CD1 C -9.214 0.698 -3.627 1.00 . A A . 17 LEU CD1 1 1 20 9557 1 1 18 LEU CD2 C -10.646 2.337 -4.850 1.00 . A A . 17 LEU CD2 1 1 20 9558 1 1 18 LEU CG C -9.692 2.141 -3.688 1.00 . A A . 17 LEU CG 1 1 20 9559 1 1 18 LEU H H -11.251 2.662 -0.019 1.00 . A A . 17 LEU H 1 1 20 9560 1 1 18 LEU HA H -8.856 1.697 -1.130 1.00 . A A . 17 LEU HA 1 1 20 9561 1 1 18 LEU HB2 H -11.164 1.817 -2.194 1.00 . A A . 17 LEU HB2 1 1 20 9562 1 1 18 LEU HB3 H -10.818 3.506 -2.513 1.00 . A A . 17 LEU HB3 1 1 20 9563 1 1 18 LEU HD11 H -8.482 0.594 -2.841 1.00 . A A . 17 LEU HD11 1 1 20 9564 1 1 18 LEU HD12 H -8.770 0.424 -4.573 1.00 . A A . 17 LEU HD12 1 1 20 9565 1 1 18 LEU HD13 H -10.054 0.051 -3.422 1.00 . A A . 17 LEU HD13 1 1 20 9566 1 1 18 LEU HD21 H -10.896 3.384 -4.936 1.00 . A A . 17 LEU HD21 1 1 20 9567 1 1 18 LEU HD22 H -11.546 1.767 -4.672 1.00 . A A . 17 LEU HD22 1 1 20 9568 1 1 18 LEU HD23 H -10.178 2.000 -5.762 1.00 . A A . 17 LEU HD23 1 1 20 9569 1 1 18 LEU HG H -8.832 2.775 -3.845 1.00 . A A . 17 LEU HG 1 1 20 9570 1 1 18 LEU N N -10.273 2.607 0.058 1.00 . A A . 17 LEU N 1 1 20 9571 1 1 18 LEU O O -7.464 3.778 -1.737 1.00 . A A . 17 LEU O 1 1 20 9572 1 1 19 ALA C C -7.144 5.965 0.434 1.00 . A A . 18 ALA C 1 1 20 9573 1 1 19 ALA CA C -8.311 6.134 -0.529 1.00 . A A . 18 ALA CA 1 1 20 9574 1 1 19 ALA CB C -9.217 7.264 -0.072 1.00 . A A . 18 ALA CB 1 1 20 9575 1 1 19 ALA H H -9.970 4.865 -0.250 1.00 . A A . 18 ALA H 1 1 20 9576 1 1 19 ALA HA H -7.931 6.376 -1.510 1.00 . A A . 18 ALA HA 1 1 20 9577 1 1 19 ALA HB1 H -8.638 8.167 0.046 1.00 . A A . 18 ALA HB1 1 1 20 9578 1 1 19 ALA HB2 H -9.673 6.999 0.869 1.00 . A A . 18 ALA HB2 1 1 20 9579 1 1 19 ALA HB3 H -9.989 7.424 -0.811 1.00 . A A . 18 ALA HB3 1 1 20 9580 1 1 19 ALA N N -9.067 4.900 -0.625 1.00 . A A . 18 ALA N 1 1 20 9581 1 1 19 ALA O O -6.007 6.321 0.118 1.00 . A A . 18 ALA O 1 1 20 9582 1 1 20 LYS C C -5.399 4.116 2.028 1.00 . A A . 19 LYS C 1 1 20 9583 1 1 20 LYS CA C -6.402 5.117 2.595 1.00 . A A . 19 LYS CA 1 1 20 9584 1 1 20 LYS CB C -7.039 4.566 3.876 1.00 . A A . 19 LYS CB 1 1 20 9585 1 1 20 LYS CD C -6.731 3.772 6.236 1.00 . A A . 19 LYS CD 1 1 20 9586 1 1 20 LYS CE C -5.731 3.386 7.311 1.00 . A A . 19 LYS CE 1 1 20 9587 1 1 20 LYS CG C -6.037 4.261 4.977 1.00 . A A . 19 LYS CG 1 1 20 9588 1 1 20 LYS H H -8.365 5.189 1.811 1.00 . A A . 19 LYS H 1 1 20 9589 1 1 20 LYS HA H -5.889 6.039 2.822 1.00 . A A . 19 LYS HA 1 1 20 9590 1 1 20 LYS HB2 H -7.747 5.289 4.253 1.00 . A A . 19 LYS HB2 1 1 20 9591 1 1 20 LYS HB3 H -7.565 3.653 3.639 1.00 . A A . 19 LYS HB3 1 1 20 9592 1 1 20 LYS HD2 H -7.365 4.558 6.615 1.00 . A A . 19 LYS HD2 1 1 20 9593 1 1 20 LYS HD3 H -7.333 2.909 5.989 1.00 . A A . 19 LYS HD3 1 1 20 9594 1 1 20 LYS HE2 H -5.117 2.578 6.941 1.00 . A A . 19 LYS HE2 1 1 20 9595 1 1 20 LYS HE3 H -5.107 4.240 7.527 1.00 . A A . 19 LYS HE3 1 1 20 9596 1 1 20 LYS HG2 H -5.359 3.495 4.629 1.00 . A A . 19 LYS HG2 1 1 20 9597 1 1 20 LYS HG3 H -5.484 5.159 5.205 1.00 . A A . 19 LYS HG3 1 1 20 9598 1 1 20 LYS HZ1 H -5.698 2.624 9.257 1.00 . A A . 19 LYS HZ1 1 1 20 9599 1 1 20 LYS HZ2 H -7.059 2.164 8.366 1.00 . A A . 19 LYS HZ2 1 1 20 9600 1 1 20 LYS HZ3 H -6.940 3.735 8.976 1.00 . A A . 19 LYS HZ3 1 1 20 9601 1 1 20 LYS N N -7.432 5.406 1.605 1.00 . A A . 19 LYS N 1 1 20 9602 1 1 20 LYS NZ N -6.404 2.946 8.563 1.00 . A A . 19 LYS NZ 1 1 20 9603 1 1 20 LYS O O -4.202 4.185 2.306 1.00 . A A . 19 LYS O 1 1 20 9604 1 1 21 4PH C33 C -3.170 -2.710 -3.132 1.00 . A A . 20 4PH C33 1 1 20 9605 1 1 21 4PH H33 H -2.786 -2.292 -4.049 1.00 . A A . 20 4PH H33 1 1 20 9606 1 1 21 4PH H33A H -2.353 -3.076 -2.527 1.00 . A A . 20 4PH H33A 1 1 20 9607 1 1 21 4PH H33B H -3.841 -3.524 -3.367 1.00 . A A . 20 4PH H33B 1 1 20 9608 1 1 22 GLN C C -2.500 5.398 -1.087 1.00 . A A . 21 GLN C 1 1 20 9609 1 1 22 GLN CA C -3.622 4.772 -1.909 1.00 . A A . 21 GLN CA 1 1 20 9610 1 1 22 GLN CB C -4.401 5.856 -2.652 1.00 . A A . 21 GLN CB 1 1 20 9611 1 1 22 GLN CD C -4.531 4.606 -4.829 1.00 . A A . 21 GLN CD 1 1 20 9612 1 1 22 GLN CG C -5.309 5.299 -3.730 1.00 . A A . 21 GLN CG 1 1 20 9613 1 1 22 GLN H H -5.462 4.227 -1.007 1.00 . A A . 21 GLN H 1 1 20 9614 1 1 22 GLN HA H -3.184 4.103 -2.635 1.00 . A A . 21 GLN HA 1 1 20 9615 1 1 22 GLN HB2 H -5.007 6.400 -1.944 1.00 . A A . 21 GLN HB2 1 1 20 9616 1 1 22 GLN HB3 H -3.701 6.536 -3.115 1.00 . A A . 21 GLN HB3 1 1 20 9617 1 1 22 GLN HE21 H -4.586 2.892 -3.831 1.00 . A A . 21 GLN HE21 1 1 20 9618 1 1 22 GLN HE22 H -3.768 2.852 -5.350 1.00 . A A . 21 GLN HE22 1 1 20 9619 1 1 22 GLN HG2 H -5.984 4.586 -3.280 1.00 . A A . 21 GLN HG2 1 1 20 9620 1 1 22 GLN HG3 H -5.875 6.110 -4.164 1.00 . A A . 21 GLN HG3 1 1 20 9621 1 1 22 GLN N N -4.513 3.982 -1.065 1.00 . A A . 21 GLN N 1 1 20 9622 1 1 22 GLN NE2 N -4.268 3.323 -4.651 1.00 . A A . 21 GLN NE2 1 1 20 9623 1 1 22 GLN O O -1.359 5.482 -1.542 1.00 . A A . 21 GLN O 1 1 20 9624 1 1 22 GLN OE1 O -4.156 5.223 -5.824 1.00 . A A . 21 GLN OE1 1 1 20 9625 1 1 23 ALA C C -0.847 5.294 1.460 1.00 . A A . 22 ALA C 1 1 20 9626 1 1 23 ALA CA C -1.835 6.372 1.032 1.00 . A A . 22 ALA CA 1 1 20 9627 1 1 23 ALA CB C -2.517 6.979 2.242 1.00 . A A . 22 ALA CB 1 1 20 9628 1 1 23 ALA H H -3.755 5.741 0.428 1.00 . A A . 22 ALA H 1 1 20 9629 1 1 23 ALA HA H -1.304 7.153 0.512 1.00 . A A . 22 ALA HA 1 1 20 9630 1 1 23 ALA HB1 H -3.185 7.763 1.921 1.00 . A A . 22 ALA HB1 1 1 20 9631 1 1 23 ALA HB2 H -1.773 7.390 2.909 1.00 . A A . 22 ALA HB2 1 1 20 9632 1 1 23 ALA HB3 H -3.082 6.215 2.756 1.00 . A A . 22 ALA HB3 1 1 20 9633 1 1 23 ALA N N -2.826 5.815 0.128 1.00 . A A . 22 ALA N 1 1 20 9634 1 1 23 ALA O O 0.352 5.546 1.596 1.00 . A A . 22 ALA O 1 1 20 9635 1 1 24 ASP C C 0.420 2.605 0.867 1.00 . A A . 23 ASP C 1 1 20 9636 1 1 24 ASP CA C -0.530 2.945 2.015 1.00 . A A . 23 ASP CA 1 1 20 9637 1 1 24 ASP CB C -1.409 1.738 2.366 1.00 . A A . 23 ASP CB 1 1 20 9638 1 1 24 ASP CG C -0.652 0.659 3.113 1.00 . A A . 23 ASP CG 1 1 20 9639 1 1 24 ASP H H -2.332 3.965 1.566 1.00 . A A . 23 ASP H 1 1 20 9640 1 1 24 ASP HA H 0.055 3.222 2.880 1.00 . A A . 23 ASP HA 1 1 20 9641 1 1 24 ASP HB2 H -2.225 2.068 2.990 1.00 . A A . 23 ASP HB2 1 1 20 9642 1 1 24 ASP HB3 H -1.807 1.310 1.458 1.00 . A A . 23 ASP HB3 1 1 20 9643 1 1 24 ASP N N -1.360 4.086 1.654 1.00 . A A . 23 ASP N 1 1 20 9644 1 1 24 ASP O O 1.583 2.262 1.088 1.00 . A A . 23 ASP O 1 1 20 9645 1 1 24 ASP OD1 O -0.575 0.744 4.359 1.00 . A A . 23 ASP OD1 1 1 20 9646 1 1 24 ASP OD2 O -0.144 -0.284 2.474 1.00 . A A . 23 ASP OD2 1 1 20 9647 1 1 25 LEU C C 1.810 3.627 -1.646 1.00 . A A . 24 LEU C 1 1 20 9648 1 1 25 LEU CA C 0.756 2.539 -1.549 1.00 . A A . 24 LEU CA 1 1 20 9649 1 1 25 LEU CB C -0.078 2.518 -2.837 1.00 . A A . 24 LEU CB 1 1 20 9650 1 1 25 LEU CD1 C 0.474 0.209 -3.667 1.00 . A A . 24 LEU CD1 1 1 20 9651 1 1 25 LEU CD2 C -1.451 0.544 -2.121 1.00 . A A . 24 LEU CD2 1 1 20 9652 1 1 25 LEU CG C -0.644 1.155 -3.248 1.00 . A A . 24 LEU CG 1 1 20 9653 1 1 25 LEU H H -1.029 2.941 -0.478 1.00 . A A . 24 LEU H 1 1 20 9654 1 1 25 LEU HA H 1.254 1.589 -1.443 1.00 . A A . 24 LEU HA 1 1 20 9655 1 1 25 LEU HB2 H -0.907 3.201 -2.712 1.00 . A A . 24 LEU HB2 1 1 20 9656 1 1 25 LEU HB3 H 0.542 2.880 -3.643 1.00 . A A . 24 LEU HB3 1 1 20 9657 1 1 25 LEU HD11 H 0.053 -0.747 -3.940 1.00 . A A . 24 LEU HD11 1 1 20 9658 1 1 25 LEU HD12 H 1.163 0.076 -2.846 1.00 . A A . 24 LEU HD12 1 1 20 9659 1 1 25 LEU HD13 H 1.000 0.626 -4.512 1.00 . A A . 24 LEU HD13 1 1 20 9660 1 1 25 LEU HD21 H -1.822 -0.423 -2.426 1.00 . A A . 24 LEU HD21 1 1 20 9661 1 1 25 LEU HD22 H -2.283 1.192 -1.883 1.00 . A A . 24 LEU HD22 1 1 20 9662 1 1 25 LEU HD23 H -0.824 0.431 -1.250 1.00 . A A . 24 LEU HD23 1 1 20 9663 1 1 25 LEU HG H -1.300 1.286 -4.096 1.00 . A A . 24 LEU HG 1 1 20 9664 1 1 25 LEU N N -0.077 2.727 -0.365 1.00 . A A . 24 LEU N 1 1 20 9665 1 1 25 LEU O O 2.950 3.358 -2.012 1.00 . A A . 24 LEU O 1 1 20 9666 1 1 26 ALA C C 3.516 5.727 -0.375 1.00 . A A . 25 ALA C 1 1 20 9667 1 1 26 ALA CA C 2.356 5.971 -1.334 1.00 . A A . 25 ALA CA 1 1 20 9668 1 1 26 ALA CB C 1.632 7.258 -0.982 1.00 . A A . 25 ALA CB 1 1 20 9669 1 1 26 ALA H H 0.491 5.007 -1.056 1.00 . A A . 25 ALA H 1 1 20 9670 1 1 26 ALA HA H 2.748 6.064 -2.338 1.00 . A A . 25 ALA HA 1 1 20 9671 1 1 26 ALA HB1 H 2.324 8.086 -1.033 1.00 . A A . 25 ALA HB1 1 1 20 9672 1 1 26 ALA HB2 H 1.232 7.182 0.018 1.00 . A A . 25 ALA HB2 1 1 20 9673 1 1 26 ALA HB3 H 0.825 7.419 -1.681 1.00 . A A . 25 ALA HB3 1 1 20 9674 1 1 26 ALA N N 1.428 4.850 -1.314 1.00 . A A . 25 ALA N 1 1 20 9675 1 1 26 ALA O O 4.660 6.082 -0.661 1.00 . A A . 25 ALA O 1 1 20 9676 1 1 27 LYS C C 5.114 3.621 1.178 1.00 . A A . 26 LYS C 1 1 20 9677 1 1 27 LYS CA C 4.248 4.753 1.722 1.00 . A A . 26 LYS CA 1 1 20 9678 1 1 27 LYS CB C 3.622 4.344 3.061 1.00 . A A . 26 LYS CB 1 1 20 9679 1 1 27 LYS CD C 3.773 6.669 4.005 1.00 . A A . 26 LYS CD 1 1 20 9680 1 1 27 LYS CE C 3.060 7.761 4.784 1.00 . A A . 26 LYS CE 1 1 20 9681 1 1 27 LYS CG C 2.872 5.471 3.757 1.00 . A A . 26 LYS CG 1 1 20 9682 1 1 27 LYS H H 2.279 4.892 0.957 1.00 . A A . 26 LYS H 1 1 20 9683 1 1 27 LYS HA H 4.868 5.620 1.875 1.00 . A A . 26 LYS HA 1 1 20 9684 1 1 27 LYS HB2 H 2.929 3.534 2.889 1.00 . A A . 26 LYS HB2 1 1 20 9685 1 1 27 LYS HB3 H 4.405 4.002 3.719 1.00 . A A . 26 LYS HB3 1 1 20 9686 1 1 27 LYS HD2 H 4.636 6.345 4.566 1.00 . A A . 26 LYS HD2 1 1 20 9687 1 1 27 LYS HD3 H 4.091 7.069 3.053 1.00 . A A . 26 LYS HD3 1 1 20 9688 1 1 27 LYS HE2 H 2.158 8.032 4.258 1.00 . A A . 26 LYS HE2 1 1 20 9689 1 1 27 LYS HE3 H 2.807 7.382 5.763 1.00 . A A . 26 LYS HE3 1 1 20 9690 1 1 27 LYS HG2 H 2.045 5.779 3.134 1.00 . A A . 26 LYS HG2 1 1 20 9691 1 1 27 LYS HG3 H 2.495 5.111 4.704 1.00 . A A . 26 LYS HG3 1 1 20 9692 1 1 27 LYS HZ1 H 4.830 8.712 5.354 1.00 . A A . 26 LYS HZ1 1 1 20 9693 1 1 27 LYS HZ2 H 3.447 9.661 5.561 1.00 . A A . 26 LYS HZ2 1 1 20 9694 1 1 27 LYS HZ3 H 4.076 9.414 4.012 1.00 . A A . 26 LYS HZ3 1 1 20 9695 1 1 27 LYS N N 3.217 5.108 0.760 1.00 . A A . 26 LYS N 1 1 20 9696 1 1 27 LYS NZ N 3.911 8.970 4.939 1.00 . A A . 26 LYS NZ 1 1 20 9697 1 1 27 LYS O O 6.339 3.644 1.307 1.00 . A A . 26 LYS O 1 1 20 9698 1 1 28 4PH C33 C 6.183 -3.641 -3.804 1.00 . A A . 27 4PH C33 1 1 20 9699 1 1 28 4PH H33 H 5.447 -3.903 -4.548 1.00 . A A . 27 4PH H33 1 1 20 9700 1 1 28 4PH H33A H 7.085 -3.298 -4.288 1.00 . A A . 27 4PH H33A 1 1 20 9701 1 1 28 4PH H33B H 6.400 -4.512 -3.199 1.00 . A A . 27 4PH H33B 1 1 20 9702 1 1 29 GLN C C 7.588 3.779 -2.932 1.00 . A A . 28 GLN C 1 1 20 9703 1 1 29 GLN CA C 6.297 3.051 -3.293 1.00 . A A . 28 GLN CA 1 1 20 9704 1 1 29 GLN CB C 5.436 3.925 -4.211 1.00 . A A . 28 GLN CB 1 1 20 9705 1 1 29 GLN CD C 4.686 2.044 -5.731 1.00 . A A . 28 GLN CD 1 1 20 9706 1 1 29 GLN CG C 4.256 3.185 -4.831 1.00 . A A . 28 GLN CG 1 1 20 9707 1 1 29 GLN H H 4.631 3.010 -1.981 1.00 . A A . 28 GLN H 1 1 20 9708 1 1 29 GLN HA H 6.550 2.143 -3.819 1.00 . A A . 28 GLN HA 1 1 20 9709 1 1 29 GLN HB2 H 5.051 4.760 -3.642 1.00 . A A . 28 GLN HB2 1 1 20 9710 1 1 29 GLN HB3 H 6.058 4.302 -5.011 1.00 . A A . 28 GLN HB3 1 1 20 9711 1 1 29 GLN HE21 H 3.013 1.060 -5.332 1.00 . A A . 28 GLN HE21 1 1 20 9712 1 1 29 GLN HE22 H 4.106 0.273 -6.410 1.00 . A A . 28 GLN HE22 1 1 20 9713 1 1 29 GLN HG2 H 3.642 2.782 -4.039 1.00 . A A . 28 GLN HG2 1 1 20 9714 1 1 29 GLN HG3 H 3.674 3.882 -5.412 1.00 . A A . 28 GLN HG3 1 1 20 9715 1 1 29 GLN N N 5.548 2.671 -2.099 1.00 . A A . 28 GLN N 1 1 20 9716 1 1 29 GLN NE2 N 3.851 1.023 -5.834 1.00 . A A . 28 GLN NE2 1 1 20 9717 1 1 29 GLN O O 8.647 3.499 -3.498 1.00 . A A . 28 GLN O 1 1 20 9718 1 1 29 GLN OE1 O 5.755 2.085 -6.341 1.00 . A A . 28 GLN OE1 1 1 20 9719 1 1 30 LYS C C 9.667 4.598 -0.818 1.00 . A A . 29 LYS C 1 1 20 9720 1 1 30 LYS CA C 8.655 5.472 -1.555 1.00 . A A . 29 LYS CA 1 1 20 9721 1 1 30 LYS CB C 8.218 6.633 -0.659 1.00 . A A . 29 LYS CB 1 1 20 9722 1 1 30 LYS CD C 8.910 8.573 0.779 1.00 . A A . 29 LYS CD 1 1 20 9723 1 1 30 LYS CE C 10.063 9.454 1.229 1.00 . A A . 29 LYS CE 1 1 20 9724 1 1 30 LYS CG C 9.368 7.519 -0.213 1.00 . A A . 29 LYS CG 1 1 20 9725 1 1 30 LYS H H 6.635 4.848 -1.540 1.00 . A A . 29 LYS H 1 1 20 9726 1 1 30 LYS HA H 9.122 5.871 -2.442 1.00 . A A . 29 LYS HA 1 1 20 9727 1 1 30 LYS HB2 H 7.510 7.242 -1.201 1.00 . A A . 29 LYS HB2 1 1 20 9728 1 1 30 LYS HB3 H 7.736 6.232 0.220 1.00 . A A . 29 LYS HB3 1 1 20 9729 1 1 30 LYS HD2 H 8.157 9.192 0.312 1.00 . A A . 29 LYS HD2 1 1 20 9730 1 1 30 LYS HD3 H 8.488 8.080 1.642 1.00 . A A . 29 LYS HD3 1 1 20 9731 1 1 30 LYS HE2 H 10.457 9.977 0.370 1.00 . A A . 29 LYS HE2 1 1 20 9732 1 1 30 LYS HE3 H 9.692 10.171 1.946 1.00 . A A . 29 LYS HE3 1 1 20 9733 1 1 30 LYS HG2 H 10.123 6.905 0.254 1.00 . A A . 29 LYS HG2 1 1 20 9734 1 1 30 LYS HG3 H 9.785 8.011 -1.079 1.00 . A A . 29 LYS HG3 1 1 20 9735 1 1 30 LYS HZ1 H 11.566 8.006 1.163 1.00 . A A . 29 LYS HZ1 1 1 20 9736 1 1 30 LYS HZ2 H 10.791 8.118 2.659 1.00 . A A . 29 LYS HZ2 1 1 20 9737 1 1 30 LYS HZ3 H 11.906 9.300 2.196 1.00 . A A . 29 LYS HZ3 1 1 20 9738 1 1 30 LYS N N 7.500 4.692 -1.973 1.00 . A A . 29 LYS N 1 1 20 9739 1 1 30 LYS NZ N 11.156 8.666 1.855 1.00 . A A . 29 LYS NZ 1 1 20 9740 1 1 30 LYS O O 10.874 4.696 -1.050 1.00 . A A . 29 LYS O 1 1 20 9741 1 1 31 ASP C C 10.735 1.852 -0.058 1.00 . A A . 30 ASP C 1 1 20 9742 1 1 31 ASP CA C 10.042 2.869 0.849 1.00 . A A . 30 ASP CA 1 1 20 9743 1 1 31 ASP CB C 9.238 2.153 1.944 1.00 . A A . 30 ASP CB 1 1 20 9744 1 1 31 ASP CG C 10.094 1.734 3.129 1.00 . A A . 30 ASP CG 1 1 20 9745 1 1 31 ASP H H 8.198 3.674 0.180 1.00 . A A . 30 ASP H 1 1 20 9746 1 1 31 ASP HA H 10.794 3.491 1.311 1.00 . A A . 30 ASP HA 1 1 20 9747 1 1 31 ASP HB2 H 8.465 2.815 2.303 1.00 . A A . 30 ASP HB2 1 1 20 9748 1 1 31 ASP HB3 H 8.780 1.269 1.525 1.00 . A A . 30 ASP HB3 1 1 20 9749 1 1 31 ASP N N 9.171 3.733 0.058 1.00 . A A . 30 ASP N 1 1 20 9750 1 1 31 ASP O O 11.884 1.472 0.179 1.00 . A A . 30 ASP O 1 1 20 9751 1 1 31 ASP OD1 O 10.333 2.575 4.019 1.00 . A A . 30 ASP OD1 1 1 20 9752 1 1 31 ASP OD2 O 10.513 0.561 3.198 1.00 . A A . 30 ASP OD2 1 1 20 9753 1 1 32 LEU C C 11.685 1.162 -2.888 1.00 . A A . 31 LEU C 1 1 20 9754 1 1 32 LEU CA C 10.574 0.490 -2.081 1.00 . A A . 31 LEU CA 1 1 20 9755 1 1 32 LEU CB C 9.445 -0.003 -3.007 1.00 . A A . 31 LEU CB 1 1 20 9756 1 1 32 LEU CD1 C 10.838 -1.460 -4.547 1.00 . A A . 31 LEU CD1 1 1 20 9757 1 1 32 LEU CD2 C 9.720 -2.457 -2.554 1.00 . A A . 31 LEU CD2 1 1 20 9758 1 1 32 LEU CG C 9.623 -1.397 -3.638 1.00 . A A . 31 LEU CG 1 1 20 9759 1 1 32 LEU H H 9.116 1.769 -1.235 1.00 . A A . 31 LEU H 1 1 20 9760 1 1 32 LEU HA H 10.988 -0.343 -1.542 1.00 . A A . 31 LEU HA 1 1 20 9761 1 1 32 LEU HB2 H 8.527 -0.011 -2.440 1.00 . A A . 31 LEU HB2 1 1 20 9762 1 1 32 LEU HB3 H 9.341 0.711 -3.809 1.00 . A A . 31 LEU HB3 1 1 20 9763 1 1 32 LEU HD11 H 11.724 -1.211 -3.982 1.00 . A A . 31 LEU HD11 1 1 20 9764 1 1 32 LEU HD12 H 10.719 -0.758 -5.357 1.00 . A A . 31 LEU HD12 1 1 20 9765 1 1 32 LEU HD13 H 10.937 -2.458 -4.948 1.00 . A A . 31 LEU HD13 1 1 20 9766 1 1 32 LEU HD21 H 10.624 -2.307 -1.985 1.00 . A A . 31 LEU HD21 1 1 20 9767 1 1 32 LEU HD22 H 9.737 -3.435 -3.008 1.00 . A A . 31 LEU HD22 1 1 20 9768 1 1 32 LEU HD23 H 8.864 -2.375 -1.899 1.00 . A A . 31 LEU HD23 1 1 20 9769 1 1 32 LEU HG H 8.754 -1.620 -4.237 1.00 . A A . 31 LEU HG 1 1 20 9770 1 1 32 LEU N N 10.033 1.437 -1.112 1.00 . A A . 31 LEU N 1 1 20 9771 1 1 32 LEU O O 12.715 0.554 -3.173 1.00 . A A . 31 LEU O 1 1 20 9772 1 1 33 ALA C C 13.754 3.348 -3.192 1.00 . A A . 32 ALA C 1 1 20 9773 1 1 33 ALA CA C 12.453 3.205 -3.976 1.00 . A A . 32 ALA CA 1 1 20 9774 1 1 33 ALA CB C 11.886 4.573 -4.311 1.00 . A A . 32 ALA CB 1 1 20 9775 1 1 33 ALA H H 10.626 2.850 -2.980 1.00 . A A . 32 ALA H 1 1 20 9776 1 1 33 ALA HA H 12.654 2.688 -4.901 1.00 . A A . 32 ALA HA 1 1 20 9777 1 1 33 ALA HB1 H 11.699 5.117 -3.398 1.00 . A A . 32 ALA HB1 1 1 20 9778 1 1 33 ALA HB2 H 10.962 4.456 -4.856 1.00 . A A . 32 ALA HB2 1 1 20 9779 1 1 33 ALA HB3 H 12.595 5.120 -4.918 1.00 . A A . 32 ALA HB3 1 1 20 9780 1 1 33 ALA N N 11.472 2.428 -3.230 1.00 . A A . 32 ALA N 1 1 20 9781 1 1 33 ALA O O 14.846 3.327 -3.763 1.00 . A A . 32 ALA O 1 1 20 9782 1 1 34 ASP C C 15.476 2.238 -0.868 1.00 . A A . 33 ASP C 1 1 20 9783 1 1 34 ASP CA C 14.794 3.596 -1.005 1.00 . A A . 33 ASP CA 1 1 20 9784 1 1 34 ASP CB C 14.399 4.123 0.378 1.00 . A A . 33 ASP CB 1 1 20 9785 1 1 34 ASP CG C 15.585 4.214 1.319 1.00 . A A . 33 ASP CG 1 1 20 9786 1 1 34 ASP H H 12.728 3.571 -1.492 1.00 . A A . 33 ASP H 1 1 20 9787 1 1 34 ASP HA H 15.490 4.287 -1.456 1.00 . A A . 33 ASP HA 1 1 20 9788 1 1 34 ASP HB2 H 13.970 5.108 0.273 1.00 . A A . 33 ASP HB2 1 1 20 9789 1 1 34 ASP HB3 H 13.667 3.459 0.815 1.00 . A A . 33 ASP HB3 1 1 20 9790 1 1 34 ASP N N 13.628 3.505 -1.880 1.00 . A A . 33 ASP N 1 1 20 9791 1 1 34 ASP O O 16.679 2.153 -0.619 1.00 . A A . 33 ASP O 1 1 20 9792 1 1 34 ASP OD1 O 16.487 5.040 1.066 1.00 . A A . 33 ASP OD1 1 1 20 9793 1 1 34 ASP OD2 O 15.620 3.466 2.319 1.00 . A A . 33 ASP OD2 1 1 20 9794 1 1 35 4PH C33 C 15.841 -6.326 0.929 1.00 . A A . 34 4PH C33 1 1 20 9795 1 1 35 4PH H33 H 15.089 -7.049 0.653 1.00 . A A . 34 4PH H33 1 1 20 9796 1 1 35 4PH H33A H 16.771 -6.559 0.433 1.00 . A A . 34 4PH H33A 1 1 20 9797 1 1 35 4PH H33B H 15.982 -6.356 2.002 1.00 . A A . 34 4PH H33B 1 1 20 9798 1 1 36 NH2 HN1 H 17.356 0.622 -1.993 1.00 . A A . 35 NH2 HN1 1 1 20 9799 1 1 36 NH2 HN2 H 17.384 -0.268 -3.474 1.00 . A A . 35 NH2 HN2 1 1 20 9800 1 1 36 NH2 N N 16.970 -0.026 -2.621 1.00 . A A . 35 NH2 N 1 1 stop_ save_
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