NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | item_count |
371805 | 1cw6 | 4507 | cing | recoord | dress | 4-filtered-FRED | STAR | entry | full | 337 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1cw6 # This FRED archive file contains, for PDB entry <1cw6>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend, # JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with # curated sets of experimental NMR restraints for over 4,000 protein and nucleic # acid PDB entries. (in preparation) save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_1cw6 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 1cw6 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3931.27 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 $TYPE_IIA_BACTERIOCIN_LEUCOCIN_A A . 1 1 stop_ save_ save_TYPE_IIA_BACTERIOCIN_LEUCOCIN_A _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "TYPE IIA BACTERIOCIN LEUCOCIN A" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code KYYGNGVHCTKSGCSVNWGEAFSAGVHRLANGGNGFW _Entity.Number_of_monomers 37 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 LYS . 1 1 2 TYR . 1 1 3 TYR . 1 1 4 GLY . 1 1 5 ASN . 1 1 6 GLY . 1 1 7 VAL . 1 1 8 HIS . 1 1 9 CYS . 1 1 10 THR . 1 1 11 LYS . 1 1 12 SER . 1 1 13 GLY . 1 1 14 CYS . 1 1 15 SER . 1 1 16 VAL . 1 1 17 ASN . 1 1 18 TRP . 1 1 19 GLY . 1 1 20 GLU . 1 1 21 ALA . 1 1 22 PHE . 1 1 23 SER . 1 1 24 ALA . 1 1 25 GLY . 1 1 26 VAL . 1 1 27 HIS . 1 1 28 ARG . 1 1 29 LEU . 1 1 30 ALA . 1 1 31 ASN . 1 1 32 GLY . 1 1 33 GLY . 1 1 34 ASN . 1 1 35 GLY . 1 1 36 PHE . 1 1 37 TRP . 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID LYS 1 1 1 1 TYR 2 2 1 1 TYR 3 3 1 1 GLY 4 4 1 1 ASN 5 5 1 1 GLY 6 6 1 1 VAL 7 7 1 1 HIS 8 8 1 1 CYS 9 9 1 1 THR 10 10 1 1 LYS 11 11 1 1 SER 12 12 1 1 GLY 13 13 1 1 CYS 14 14 1 1 SER 15 15 1 1 VAL 16 16 1 1 ASN 17 17 1 1 TRP 18 18 1 1 GLY 19 19 1 1 GLU 20 20 1 1 ALA 21 21 1 1 PHE 22 22 1 1 SER 23 23 1 1 ALA 24 24 1 1 GLY 25 25 1 1 VAL 26 26 1 1 HIS 27 27 1 1 ARG 28 28 1 1 LEU 29 29 1 1 ALA 30 30 1 1 ASN 31 31 1 1 GLY 32 32 1 1 GLY 33 33 1 1 ASN 34 34 1 1 GLY 35 35 1 1 PHE 36 36 1 1 TRP 37 37 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 223 1 . . . 1 1 224 1 . . . 1 1 225 1 . . . 1 1 226 1 . . . 1 1 227 1 . . . 1 1 228 1 . . . 1 1 229 1 . . . 1 1 230 1 . . . 1 1 231 1 . . . 1 1 232 1 . . . 1 1 233 1 . . . 1 1 234 1 . . . 1 1 235 1 . . . 1 1 236 1 . . . 1 1 237 1 . . . 1 1 238 1 . . . 1 1 239 1 . . . 1 1 240 1 . . . 1 1 241 1 . . . 1 1 242 1 . . . 1 1 243 1 . . . 1 1 244 1 . . . 1 1 245 1 . . . 1 1 246 1 . . . 1 1 247 1 . . . 1 1 248 1 . . . 1 1 249 1 . . . 1 1 250 1 . . . 1 1 251 1 . . . 1 1 252 1 . . . 1 1 253 1 . . . 1 1 254 1 . . . 1 1 255 1 . . . 1 1 256 1 . . . 1 1 257 1 . . . 1 1 258 1 . . . 1 1 259 1 . . . 1 1 260 1 . . . 1 1 261 1 . . . 1 1 262 1 . . . 1 1 263 1 . . . 1 1 264 1 . . . 1 1 265 1 . . . 1 1 266 1 . . . 1 1 267 1 . . . 1 1 268 1 . . . 1 1 269 1 . . . 1 1 270 1 . . . 1 1 271 1 . . . 1 1 272 1 . . . 1 1 273 1 . . . 1 1 274 1 . . . 1 1 275 1 . . . 1 1 276 1 . . . 1 1 277 1 . . . 1 1 278 1 . . . 1 1 279 1 . . . 1 1 280 1 . . . 1 1 281 1 . . . 1 1 282 1 . . . 1 1 283 1 . . . 1 1 284 1 . . . 1 1 285 1 . . . 1 1 286 1 . . . 1 1 287 1 . . . 1 1 288 1 . . . 1 1 289 1 . . . 1 1 290 1 . . . 1 1 291 1 . . . 1 1 292 1 . . . 1 1 293 1 . . . 1 1 294 1 . . . 1 1 295 1 . . . 1 1 296 1 . . . 1 1 297 1 . . . 1 1 298 1 . . . 1 1 299 1 . . . 1 1 300 1 . . . 1 1 301 1 . . . 1 1 302 1 . . . 1 1 303 1 . . . 1 1 304 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 LYS HA . 1 . HA 1 1 1 1 2 1 1 2 TYR H . 2 . HN 1 1 2 1 1 1 1 1 LYS HA . 1 . HA 1 1 2 1 2 1 1 2 TYR QB . 2 . HB* 1 1 3 1 1 1 1 1 LYS QB . 1 . HB* 1 1 3 1 2 1 1 2 TYR H . 2 . HN 1 1 4 1 1 1 1 1 LYS QB . 1 . HB* 1 1 4 1 2 1 1 3 TYR QD . 3 . HD* 1 1 5 1 1 1 1 1 LYS QB . 1 . HB* 1 1 5 1 2 1 1 3 TYR QE . 3 . HE* 1 1 6 1 1 1 1 1 LYS QG . 1 . HG* 1 1 6 1 2 1 1 2 TYR H . 2 . HN 1 1 7 1 1 1 1 1 LYS QG . 1 . HG* 1 1 7 1 2 1 1 3 TYR QD . 3 . HD* 1 1 8 1 1 1 1 1 LYS QG . 1 . HG* 1 1 8 1 2 1 1 3 TYR QE . 3 . HE* 1 1 9 1 1 1 1 1 LYS QD . 1 . HD* 1 1 9 1 2 1 1 3 TYR QE . 3 . HE* 1 1 10 1 1 1 1 1 LYS QE . 1 . HE* 1 1 10 1 2 1 1 3 TYR QE . 3 . HE* 1 1 11 1 1 1 1 2 TYR H . 2 . HN 1 1 11 1 2 1 1 2 TYR QB . 2 . HB* 1 1 12 1 1 1 1 2 TYR H . 2 . HN 1 1 12 1 2 1 1 2 TYR QD . 2 . HD* 1 1 13 1 1 1 1 2 TYR H . 2 . HN 1 1 13 1 2 1 1 2 TYR QE . 2 . HE* 1 1 14 1 1 1 1 2 TYR H . 2 . HN 1 1 14 1 2 1 1 3 TYR H . 3 . HN 1 1 15 1 1 1 1 2 TYR HA . 2 . HA 1 1 15 1 2 1 1 2 TYR QD . 2 . HD* 1 1 16 1 1 1 1 2 TYR HA . 2 . HA 1 1 16 1 2 1 1 2 TYR QE . 2 . HE* 1 1 17 1 1 1 1 2 TYR HA . 2 . HA 1 1 17 1 2 1 1 3 TYR H . 3 . HN 1 1 18 1 1 1 1 2 TYR HA . 2 . HA 1 1 18 1 2 1 1 3 TYR QB . 3 . HB* 1 1 19 1 1 1 1 2 TYR HA . 2 . HA 1 1 19 1 2 1 1 3 TYR QD . 3 . HD* 1 1 20 1 1 1 1 2 TYR HA . 2 . HA 1 1 20 1 2 1 1 8 HIS HA . 8 . HA 1 1 21 1 1 1 1 2 TYR QB . 2 . HB* 1 1 21 1 2 1 1 3 TYR H . 3 . HN 1 1 22 1 1 1 1 2 TYR QB . 2 . HB* 1 1 22 1 2 1 1 8 HIS HD2 . 8 . HD2 1 1 23 1 1 1 1 2 TYR QE . 2 . HE* 1 1 23 1 2 1 1 3 TYR H . 3 . HN 1 1 24 1 1 1 1 2 TYR QD . 2 . HD* 1 1 24 1 2 1 1 3 TYR H . 3 . HN 1 1 25 1 1 1 1 2 TYR QE . 2 . HE* 1 1 25 1 2 1 1 4 GLY QA . 4 . HA* 1 1 26 1 1 1 1 2 TYR QE . 2 . HE* 1 1 26 1 2 1 1 6 GLY H . 6 . HN 1 1 27 1 1 1 1 2 TYR QE . 2 . HE* 1 1 27 1 2 1 1 7 VAL H . 7 . HN 1 1 28 1 1 1 1 2 TYR QE . 2 . HE* 1 1 28 1 2 1 1 8 HIS HA . 8 . HA 1 1 29 1 1 1 1 2 TYR QE . 2 . HE* 1 1 29 1 2 1 1 8 HIS HB3 . 8 . HB1 1 1 30 1 1 1 1 2 TYR QE . 2 . HE* 1 1 30 1 2 1 1 8 HIS HB2 . 8 . HB2 1 1 31 1 1 1 1 2 TYR QE . 2 . HE* 1 1 31 1 2 1 1 8 HIS HD1 . 8 . HD* 1 1 31 1 2 1 1 8 HIS HD2 . 8 . HD* 1 1 32 1 1 1 1 2 TYR QE . 2 . HE* 1 1 32 1 2 1 1 20 GLU QB . 20 . HB* 1 1 33 1 1 1 1 2 TYR QD . 2 . HD* 1 1 33 1 2 1 1 4 GLY QA . 4 . HA* 1 1 34 1 1 1 1 2 TYR QD . 2 . HD* 1 1 34 1 2 1 1 6 GLY H . 6 . HN 1 1 35 1 1 1 1 2 TYR QD . 2 . HD* 1 1 35 1 2 1 1 7 VAL H . 7 . HN 1 1 36 1 1 1 1 2 TYR QD . 2 . HD* 1 1 36 1 2 1 1 8 HIS HA . 8 . HA 1 1 37 1 1 1 1 2 TYR QD . 2 . HD* 1 1 37 1 2 1 1 8 HIS QB . 8 . HB* 1 1 38 1 1 1 1 2 TYR QD . 2 . HD* 1 1 38 1 2 1 1 8 HIS HD2 . 8 . HD2 1 1 39 1 1 1 1 2 TYR QD . 2 . HD* 1 1 39 1 2 1 1 8 HIS HE1 . 8 . HE1 1 1 40 1 1 1 1 2 TYR QD . 2 . HD* 1 1 40 1 2 1 1 20 GLU QB . 20 . HB* 1 1 41 1 1 1 1 3 TYR H . 3 . HN 1 1 41 1 2 1 1 4 GLY H . 4 . HN 1 1 42 1 1 1 1 3 TYR H . 3 . HN 1 1 42 1 2 1 1 8 HIS HA . 8 . HA 1 1 43 1 1 1 1 3 TYR HA . 3 . HA 1 1 43 1 2 1 1 3 TYR QD . 3 . HD* 1 1 44 1 1 1 1 3 TYR HA . 3 . HA 1 1 44 1 2 1 1 3 TYR QE . 3 . HE* 1 1 45 1 1 1 1 3 TYR HA . 3 . HA 1 1 45 1 2 1 1 4 GLY H . 4 . HN 1 1 46 1 1 1 1 3 TYR HB3 . 3 . HB1 1 1 46 1 2 1 1 3 TYR QD . 3 . HD* 1 1 47 1 1 1 1 3 TYR HB3 . 3 . HB1 1 1 47 1 2 1 1 3 TYR QE . 3 . HE* 1 1 48 1 1 1 1 3 TYR HB3 . 3 . HB1 1 1 48 1 2 1 1 7 VAL HB . 7 . HB 1 1 49 1 1 1 1 3 TYR HB3 . 3 . HB1 1 1 49 1 2 1 1 7 VAL QG . 7 . HG* 1 1 50 1 1 1 1 3 TYR HB2 . 3 . HB2 1 1 50 1 2 1 1 3 TYR QD . 3 . HD* 1 1 51 1 1 1 1 3 TYR HB2 . 3 . HB2 1 1 51 1 2 1 1 3 TYR QE . 3 . HE* 1 1 52 1 1 1 1 3 TYR HB2 . 3 . HB2 1 1 52 1 2 1 1 7 VAL HB . 7 . HB 1 1 53 1 1 1 1 3 TYR HB2 . 3 . HB2 1 1 53 1 2 1 1 7 VAL QG . 7 . HG* 1 1 54 1 1 1 1 3 TYR QD . 3 . HD* 1 1 54 1 2 1 1 7 VAL HB . 7 . HB 1 1 55 1 1 1 1 4 GLY HA3 . 4 . HA1 1 1 55 1 2 1 1 5 ASN H . 5 . HN 1 1 56 1 1 1 1 4 GLY HA2 . 4 . HA2 1 1 56 1 2 1 1 5 ASN H . 5 . HN 1 1 57 1 1 1 1 5 ASN H . 5 . HN 1 1 57 1 2 1 1 6 GLY H . 6 . HN 1 1 58 1 1 1 1 5 ASN HA . 5 . HA 1 1 58 1 2 1 1 5 ASN HD22 . 5 . HD22 1 1 59 1 1 1 1 5 ASN HA . 5 . HA 1 1 59 1 2 1 1 6 GLY H . 6 . HN 1 1 60 1 1 1 1 5 ASN HA . 5 . HA 1 1 60 1 2 1 1 21 ALA MB . 21 . HB* 1 1 61 1 1 1 1 5 ASN HA . 5 . HA 1 1 61 1 2 1 1 24 ALA MB . 24 . HB* 1 1 62 1 1 1 1 5 ASN QB . 5 . HB* 1 1 62 1 2 1 1 7 VAL QG . 7 . HG1* 1 1 63 1 1 1 1 6 GLY H . 6 . HN 1 1 63 1 2 1 1 7 VAL H . 7 . HN 1 1 64 1 1 1 1 7 VAL H . 7 . HN 1 1 64 1 2 1 1 7 VAL HB . 7 . HB 1 1 65 1 1 1 1 7 VAL H . 7 . HN 1 1 65 1 2 1 1 8 HIS H . 8 . HN 1 1 66 1 1 1 1 7 VAL HA . 7 . HA 1 1 66 1 2 1 1 7 VAL QG . 7 . HG1* 1 1 67 1 1 1 1 7 VAL HA . 7 . HA 1 1 67 1 2 1 1 8 HIS H . 8 . HN 1 1 68 1 1 1 1 7 VAL HA . 7 . HA 1 1 68 1 2 1 1 15 SER H . 15 . HN 1 1 69 1 1 1 1 7 VAL HA . 7 . HA 1 1 69 1 2 1 1 16 VAL HA . 16 . HA 1 1 70 1 1 1 1 7 VAL HA . 7 . HA 1 1 70 1 2 1 1 16 VAL QG . 16 . HG1* 1 1 71 1 1 1 1 7 VAL HA . 7 . HA 1 1 71 1 2 1 1 17 ASN H . 17 . HN 1 1 72 1 1 1 1 7 VAL HB . 7 . HB 1 1 72 1 2 1 1 8 HIS H . 8 . HN 1 1 73 1 1 1 1 7 VAL QG . 7 . HG1* 1 1 73 1 2 1 1 8 HIS H . 8 . HN 1 1 74 1 1 1 1 7 VAL QG . 7 . HG1* 1 1 74 1 2 1 1 16 VAL HA . 16 . HA 1 1 75 1 1 1 1 7 VAL QG . 7 . HG1* 1 1 75 1 2 1 1 16 VAL QG . 16 . HG1* 1 1 76 1 1 1 1 8 HIS H . 8 . HN 1 1 76 1 2 1 1 8 HIS QB . 8 . HB* 1 1 77 1 1 1 1 8 HIS H . 8 . HN 1 1 77 1 2 1 1 8 HIS HE1 . 8 . HE1 1 1 78 1 1 1 1 8 HIS H . 8 . HN 1 1 78 1 2 1 1 15 SER H . 15 . HN 1 1 79 1 1 1 1 8 HIS H . 8 . HN 1 1 79 1 2 1 1 16 VAL HA . 16 . HA 1 1 80 1 1 1 1 8 HIS HA . 8 . HA 1 1 80 1 2 1 1 9 CYS H . 9 . HN 1 1 81 1 1 1 1 8 HIS HA . 8 . HA 1 1 81 1 2 1 1 9 CYS QB . 9 . HB* 1 1 82 1 1 1 1 8 HIS QB . 8 . HB* 1 1 82 1 2 1 1 15 SER H . 15 . HN 1 1 83 1 1 1 1 8 HIS HE1 . 8 . HE1 1 1 83 1 2 1 1 16 VAL HA . 16 . HA 1 1 84 1 1 1 1 8 HIS HE1 . 8 . HE1 1 1 84 1 2 1 1 17 ASN QB . 17 . HB* 1 1 85 1 1 1 1 9 CYS H . 9 . HN 1 1 85 1 2 1 1 15 SER H . 15 . HN 1 1 86 1 1 1 1 9 CYS HA . 9 . HA 1 1 86 1 2 1 1 9 CYS QB . 9 . HB* 1 1 87 1 1 1 1 9 CYS HA . 9 . HA 1 1 87 1 2 1 1 10 THR H . 10 . HN 1 1 88 1 1 1 1 9 CYS HA . 9 . HA 1 1 88 1 2 1 1 10 THR HG1 . 10 . HG* 1 1 88 1 2 1 1 10 THR MG . 10 . HG* 1 1 89 1 1 1 1 9 CYS HA . 9 . HA 1 1 89 1 2 1 1 13 GLY H . 13 . HN 1 1 90 1 1 1 1 9 CYS HA . 9 . HA 1 1 90 1 2 1 1 14 CYS H . 14 . HN 1 1 91 1 1 1 1 9 CYS HA . 9 . HA 1 1 91 1 2 1 1 14 CYS HA . 14 . HA 1 1 92 1 1 1 1 9 CYS HA . 9 . HA 1 1 92 1 2 1 1 14 CYS QB . 14 . HB* 1 1 93 1 1 1 1 9 CYS HA . 9 . HA 1 1 93 1 2 1 1 15 SER H . 15 . HN 1 1 94 1 1 1 1 9 CYS QB . 9 . HB* 1 1 94 1 2 1 1 14 CYS HA . 14 . HA 1 1 95 1 1 1 1 9 CYS QB . 9 . HB* 1 1 95 1 2 1 1 15 SER H . 15 . HN 1 1 96 1 1 1 1 10 THR H . 10 . HN 1 1 96 1 2 1 1 14 CYS HA . 14 . HA 1 1 97 1 1 1 1 10 THR H . 10 . HN 1 1 97 1 2 1 1 14 CYS QB . 14 . HB* 1 1 98 1 1 1 1 10 THR HA . 10 . HA 1 1 98 1 2 1 1 11 LYS H . 11 . HN 1 1 99 1 1 1 1 10 THR HA . 10 . HA 1 1 99 1 2 1 1 11 LYS QB . 11 . HB* 1 1 100 1 1 1 1 10 THR HA . 10 . HA 1 1 100 1 2 1 1 12 SER H . 12 . HN 1 1 101 1 1 1 1 10 THR HB . 10 . HB 1 1 101 1 2 1 1 11 LYS H . 11 . HN 1 1 102 1 1 1 1 10 THR HG1 . 10 . HG* 1 1 102 1 1 1 1 10 THR MG . 10 . HG* 1 1 102 1 2 1 1 11 LYS H . 11 . HN 1 1 103 1 1 1 1 11 LYS H . 11 . HN 1 1 103 1 2 1 1 11 LYS QB . 11 . HB* 1 1 104 1 1 1 1 11 LYS H . 11 . HN 1 1 104 1 2 1 1 11 LYS QG . 11 . HG* 1 1 105 1 1 1 1 11 LYS H . 11 . HN 1 1 105 1 2 1 1 12 SER H . 12 . HN 1 1 106 1 1 1 1 11 LYS HA . 11 . HA 1 1 106 1 2 1 1 12 SER H . 12 . HN 1 1 107 1 1 1 1 11 LYS QB . 11 . HB* 1 1 107 1 2 1 1 12 SER H . 12 . HN 1 1 108 1 1 1 1 11 LYS QG . 11 . HG* 1 1 108 1 2 1 1 12 SER H . 12 . HN 1 1 109 1 1 1 1 12 SER H . 12 . HN 1 1 109 1 2 1 1 13 GLY H . 13 . HN 1 1 110 1 1 1 1 12 SER HA . 12 . HA 1 1 110 1 2 1 1 12 SER HB3 . 12 . HB1 1 1 111 1 1 1 1 12 SER HA . 12 . HA 1 1 111 1 2 1 1 12 SER HB2 . 12 . HB2 1 1 112 1 1 1 1 12 SER HA . 12 . HA 1 1 112 1 2 1 1 13 GLY H . 13 . HN 1 1 113 1 1 1 1 12 SER HB3 . 12 . HB1 1 1 113 1 2 1 1 13 GLY H . 13 . HN 1 1 114 1 1 1 1 12 SER HB2 . 12 . HB2 1 1 114 1 2 1 1 13 GLY H . 13 . HN 1 1 115 1 1 1 1 13 GLY H . 13 . HN 1 1 115 1 2 1 1 14 CYS H . 14 . HN 1 1 116 1 1 1 1 13 GLY HA3 . 13 . HA1 1 1 116 1 2 1 1 14 CYS H . 14 . HN 1 1 117 1 1 1 1 13 GLY HA2 . 13 . HA2 1 1 117 1 2 1 1 14 CYS H . 14 . HN 1 1 118 1 1 1 1 14 CYS H . 14 . HN 1 1 118 1 2 1 1 14 CYS QB . 14 . HB* 1 1 119 1 1 1 1 14 CYS H . 14 . HN 1 1 119 1 2 1 1 15 SER H . 15 . HN 1 1 120 1 1 1 1 14 CYS HA . 14 . HA 1 1 120 1 2 1 1 15 SER H . 15 . HN 1 1 121 1 1 1 1 14 CYS HA . 14 . HA 1 1 121 1 2 1 1 15 SER HA . 15 . HA 1 1 122 1 1 1 1 14 CYS QB . 14 . HB* 1 1 122 1 2 1 1 15 SER HA . 15 . HA 1 1 123 1 1 1 1 15 SER HA . 15 . HA 1 1 123 1 2 1 1 16 VAL H . 16 . HN 1 1 124 1 1 1 1 15 SER HA . 15 . HA 1 1 124 1 2 1 1 16 VAL HB . 16 . HB 1 1 125 1 1 1 1 15 SER HA . 15 . HA 1 1 125 1 2 1 1 16 VAL QG . 16 . HG1* 1 1 126 1 1 1 1 15 SER HB3 . 15 . HB1 1 1 126 1 2 1 1 16 VAL H . 16 . HN 1 1 127 1 1 1 1 15 SER HB2 . 15 . HB2 1 1 127 1 2 1 1 16 VAL H . 16 . HN 1 1 128 1 1 1 1 16 VAL H . 16 . HN 1 1 128 1 2 1 1 16 VAL HB . 16 . HB 1 1 129 1 1 1 1 16 VAL H . 16 . HN 1 1 129 1 2 1 1 17 ASN H . 17 . HN 1 1 130 1 1 1 1 16 VAL HA . 16 . HA 1 1 130 1 2 1 1 17 ASN H . 17 . HN 1 1 131 1 1 1 1 16 VAL HB . 16 . HB 1 1 131 1 2 1 1 17 ASN H . 17 . HN 1 1 132 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 132 1 2 1 1 17 ASN H . 17 . HN 1 1 133 1 1 1 1 16 VAL HB . 16 . HB 1 1 133 1 2 1 1 18 TRP H . 18 . HN 1 1 134 1 1 1 1 16 VAL HB . 16 . HB 1 1 134 1 2 1 1 18 TRP HD1 . 18 . HD1 1 1 135 1 1 1 1 16 VAL HB . 16 . HB 1 1 135 1 2 1 1 18 TRP HZ2 . 18 . HZ2 1 1 136 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 136 1 2 1 1 18 TRP HZ2 . 18 . HZ2 1 1 137 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 137 1 2 1 1 18 TRP HZ3 . 18 . HZ3 1 1 138 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 138 1 2 1 1 18 TRP H . 18 . HN 1 1 139 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 139 1 2 1 1 18 TRP HA . 18 . HA 1 1 140 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 140 1 2 1 1 18 TRP HD1 . 18 . HD1 1 1 141 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 141 1 2 1 1 18 TRP HE3 . 18 . HE3 1 1 142 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 142 1 2 1 1 18 TRP HH2 . 18 . HH2 1 1 143 1 1 1 1 16 VAL QG . 16 . HG1* 1 1 143 1 2 1 1 18 TRP HE1 . 18 . HE1 1 1 144 1 1 1 1 16 VAL HB . 16 . HB 1 1 144 1 2 1 1 18 TRP HE1 . 18 . HE1 1 1 145 1 1 1 1 17 ASN H . 17 . HN 1 1 145 1 2 1 1 17 ASN HB3 . 17 . HB1 1 1 146 1 1 1 1 17 ASN H . 17 . HN 1 1 146 1 2 1 1 17 ASN HB2 . 17 . HB2 1 1 147 1 1 1 1 17 ASN HA . 17 . HA 1 1 147 1 2 1 1 18 TRP H . 18 . HN 1 1 148 1 1 1 1 17 ASN HA . 17 . HA 1 1 148 1 2 1 1 20 GLU H . 20 . HN 1 1 149 1 1 1 1 17 ASN HA . 17 . HA 1 1 149 1 2 1 1 20 GLU QB . 20 . HB* 1 1 150 1 1 1 1 17 ASN HB3 . 17 . HB1 1 1 150 1 2 1 1 18 TRP H . 18 . HN 1 1 151 1 1 1 1 17 ASN HB3 . 17 . HB1 1 1 151 1 2 1 1 20 GLU H . 20 . HN 1 1 152 1 1 1 1 17 ASN HB3 . 17 . HB1 1 1 152 1 2 1 1 20 GLU QB . 20 . HB* 1 1 153 1 1 1 1 17 ASN HB3 . 17 . HB1 1 1 153 1 2 1 1 20 GLU QG . 20 . HG* 1 1 154 1 1 1 1 17 ASN HB2 . 17 . HB2 1 1 154 1 2 1 1 18 TRP H . 18 . HN 1 1 155 1 1 1 1 17 ASN HB2 . 17 . HB2 1 1 155 1 2 1 1 20 GLU H . 20 . HN 1 1 156 1 1 1 1 17 ASN HB2 . 17 . HB2 1 1 156 1 2 1 1 20 GLU QB . 20 . HB* 1 1 157 1 1 1 1 17 ASN QD . 17 . HD2* 1 1 157 1 2 1 1 20 GLU QG . 20 . HG* 1 1 158 1 1 1 1 18 TRP H . 18 . HN 1 1 158 1 2 1 1 18 TRP HD1 . 18 . HD1 1 1 159 1 1 1 1 18 TRP H . 18 . HN 1 1 159 1 2 1 1 18 TRP HE3 . 18 . HE3 1 1 160 1 1 1 1 18 TRP H . 18 . HN 1 1 160 1 2 1 1 19 GLY H . 19 . HN 1 1 161 1 1 1 1 18 TRP HA . 18 . HA 1 1 161 1 2 1 1 18 TRP HD1 . 18 . HD1 1 1 162 1 1 1 1 18 TRP HA . 18 . HA 1 1 162 1 2 1 1 18 TRP HE3 . 18 . HE3 1 1 163 1 1 1 1 18 TRP HA . 18 . HA 1 1 163 1 2 1 1 19 GLY H . 19 . HN 1 1 164 1 1 1 1 18 TRP HA . 18 . HA 1 1 164 1 2 1 1 21 ALA MB . 21 . HB* 1 1 165 1 1 1 1 18 TRP HA . 18 . HA 1 1 165 1 2 1 1 22 PHE H . 22 . HN 1 1 166 1 1 1 1 18 TRP HB3 . 18 . HB1 1 1 166 1 2 1 1 19 GLY H . 19 . HN 1 1 167 1 1 1 1 18 TRP HB3 . 18 . HB1 1 1 167 1 2 1 1 21 ALA MB . 21 . HB* 1 1 168 1 1 1 1 18 TRP HB2 . 18 . HB2 1 1 168 1 2 1 1 19 GLY H . 19 . HN 1 1 169 1 1 1 1 18 TRP HE3 . 18 . HE3 1 1 169 1 2 1 1 19 GLY QA . 19 . HA* 1 1 170 1 1 1 1 18 TRP HE3 . 18 . HE3 1 1 170 1 2 1 1 21 ALA MB . 21 . HB* 1 1 171 1 1 1 1 18 TRP HZ3 . 18 . HZ3 1 1 171 1 2 1 1 21 ALA MB . 21 . HB* 1 1 172 1 1 1 1 19 GLY H . 19 . HN 1 1 172 1 2 1 1 20 GLU H . 20 . HN 1 1 173 1 1 1 1 19 GLY H . 19 . HN 1 1 173 1 2 1 1 21 ALA H . 21 . HN 1 1 174 1 1 1 1 19 GLY QA . 19 . HA* 1 1 174 1 2 1 1 20 GLU H . 20 . HN 1 1 175 1 1 1 1 19 GLY QA . 19 . HA* 1 1 175 1 2 1 1 22 PHE H . 22 . HN 1 1 176 1 1 1 1 19 GLY QA . 19 . HA* 1 1 176 1 2 1 1 22 PHE QB . 22 . HB* 1 1 177 1 1 1 1 19 GLY QA . 19 . HA* 1 1 177 1 2 1 1 23 SER H . 23 . HN 1 1 178 1 1 1 1 20 GLU H . 20 . HN 1 1 178 1 2 1 1 20 GLU QB . 20 . HB* 1 1 179 1 1 1 1 20 GLU H . 20 . HN 1 1 179 1 2 1 1 20 GLU QG . 20 . HG* 1 1 180 1 1 1 1 20 GLU H . 20 . HN 1 1 180 1 2 1 1 21 ALA H . 21 . HN 1 1 181 1 1 1 1 20 GLU H . 20 . HN 1 1 181 1 2 1 1 21 ALA MB . 21 . HB* 1 1 182 1 1 1 1 20 GLU H . 20 . HN 1 1 182 1 2 1 1 22 PHE H . 22 . HN 1 1 183 1 1 1 1 20 GLU HA . 20 . HA 1 1 183 1 2 1 1 20 GLU QG . 20 . HG* 1 1 184 1 1 1 1 20 GLU HA . 20 . HA 1 1 184 1 2 1 1 21 ALA H . 21 . HN 1 1 185 1 1 1 1 20 GLU HA . 20 . HA 1 1 185 1 2 1 1 22 PHE H . 22 . HN 1 1 186 1 1 1 1 20 GLU HA . 20 . HA 1 1 186 1 2 1 1 23 SER H . 23 . HN 1 1 187 1 1 1 1 20 GLU QB . 20 . HB* 1 1 187 1 2 1 1 21 ALA H . 21 . HN 1 1 188 1 1 1 1 20 GLU QB . 20 . HB* 1 1 188 1 2 1 1 21 ALA MB . 21 . HB* 1 1 189 1 1 1 1 20 GLU QG . 20 . HG* 1 1 189 1 2 1 1 21 ALA H . 21 . HN 1 1 190 1 1 1 1 21 ALA H . 21 . HN 1 1 190 1 2 1 1 21 ALA MB . 21 . HB* 1 1 191 1 1 1 1 21 ALA H . 21 . HN 1 1 191 1 2 1 1 22 PHE H . 22 . HN 1 1 192 1 1 1 1 21 ALA HA . 21 . HA 1 1 192 1 2 1 1 22 PHE H . 22 . HN 1 1 193 1 1 1 1 21 ALA HA . 21 . HA 1 1 193 1 2 1 1 24 ALA H . 24 . HN 1 1 194 1 1 1 1 21 ALA HA . 21 . HA 1 1 194 1 2 1 1 24 ALA MB . 24 . HB* 1 1 195 1 1 1 1 21 ALA MB . 21 . HB* 1 1 195 1 2 1 1 22 PHE H . 22 . HN 1 1 196 1 1 1 1 21 ALA MB . 21 . HB* 1 1 196 1 2 1 1 22 PHE HA . 22 . HA 1 1 197 1 1 1 1 21 ALA MB . 21 . HB* 1 1 197 1 2 1 1 23 SER H . 23 . HN 1 1 198 1 1 1 1 21 ALA MB . 21 . HB* 1 1 198 1 2 1 1 24 ALA H . 24 . HN 1 1 199 1 1 1 1 21 ALA MB . 21 . HB* 1 1 199 1 2 1 1 25 GLY H . 25 . HN 1 1 200 1 1 1 1 22 PHE H . 22 . HN 1 1 200 1 2 1 1 22 PHE QB . 22 . HB* 1 1 201 1 1 1 1 22 PHE H . 22 . HN 1 1 201 1 2 1 1 22 PHE QD . 22 . HD* 1 1 202 1 1 1 1 22 PHE H . 22 . HN 1 1 202 1 2 1 1 23 SER H . 23 . HN 1 1 203 1 1 1 1 22 PHE H . 22 . HN 1 1 203 1 2 1 1 24 ALA H . 24 . HN 1 1 204 1 1 1 1 22 PHE HA . 22 . HA 1 1 204 1 2 1 1 22 PHE QD . 22 . HD* 1 1 205 1 1 1 1 22 PHE HA . 22 . HA 1 1 205 1 2 1 1 23 SER H . 23 . HN 1 1 206 1 1 1 1 22 PHE HA . 22 . HA 1 1 206 1 2 1 1 24 ALA H . 24 . HN 1 1 207 1 1 1 1 22 PHE HA . 22 . HA 1 1 207 1 2 1 1 25 GLY H . 25 . HN 1 1 208 1 1 1 1 22 PHE HA . 22 . HA 1 1 208 1 2 1 1 26 VAL H . 26 . HN 1 1 209 1 1 1 1 22 PHE QB . 22 . HB* 1 1 209 1 2 1 1 23 SER H . 23 . HN 1 1 210 1 1 1 1 22 PHE QB . 22 . HB* 1 1 210 1 2 1 1 24 ALA H . 24 . HN 1 1 211 1 1 1 1 22 PHE QD . 22 . HD* 1 1 211 1 2 1 1 23 SER H . 23 . HN 1 1 212 1 1 1 1 22 PHE QD . 22 . HD* 1 1 212 1 2 1 1 26 VAL H . 26 . HN 1 1 213 1 1 1 1 22 PHE QD . 22 . HD* 1 1 213 1 2 1 1 26 VAL MG1 . 26 . HG1* 1 1 214 1 1 1 1 22 PHE QD . 22 . HD* 1 1 214 1 2 1 1 26 VAL MG2 . 26 . HG2* 1 1 215 1 1 1 1 22 PHE QE . 22 . HE* 1 1 215 1 2 1 1 26 VAL MG1 . 26 . HG1* 1 1 216 1 1 1 1 22 PHE QE . 22 . HE* 1 1 216 1 2 1 1 26 VAL MG2 . 26 . HG2* 1 1 217 1 1 1 1 23 SER H . 23 . HN 1 1 217 1 2 1 1 23 SER QB . 23 . HB* 1 1 218 1 1 1 1 23 SER H . 23 . HN 1 1 218 1 2 1 1 24 ALA H . 24 . HN 1 1 219 1 1 1 1 23 SER HA . 23 . HA 1 1 219 1 2 1 1 26 VAL H . 26 . HN 1 1 220 1 1 1 1 23 SER HA . 23 . HA 1 1 220 1 2 1 1 26 VAL HB . 26 . HB 1 1 221 1 1 1 1 23 SER HA . 23 . HA 1 1 221 1 2 1 1 26 VAL MG1 . 26 . HG1* 1 1 222 1 1 1 1 23 SER HA . 23 . HA 1 1 222 1 2 1 1 26 VAL MG2 . 26 . HG2* 1 1 223 1 1 1 1 23 SER QB . 23 . HB* 1 1 223 1 2 1 1 24 ALA H . 24 . HN 1 1 224 1 1 1 1 24 ALA H . 24 . HN 1 1 224 1 2 1 1 24 ALA MB . 24 . HB* 1 1 225 1 1 1 1 24 ALA H . 24 . HN 1 1 225 1 2 1 1 25 GLY H . 25 . HN 1 1 226 1 1 1 1 24 ALA H . 24 . HN 1 1 226 1 2 1 1 26 VAL H . 26 . HN 1 1 227 1 1 1 1 24 ALA MB . 24 . HB* 1 1 227 1 2 1 1 25 GLY H . 25 . HN 1 1 228 1 1 1 1 25 GLY HA3 . 25 . HA1 1 1 228 1 2 1 1 26 VAL H . 26 . HN 1 1 229 1 1 1 1 25 GLY HA2 . 25 . HA2 1 1 229 1 2 1 1 26 VAL H . 26 . HN 1 1 230 1 1 1 1 25 GLY HA3 . 25 . HA1 1 1 230 1 2 1 1 28 ARG H . 28 . HN 1 1 231 1 1 1 1 25 GLY HA2 . 25 . HA2 1 1 231 1 2 1 1 28 ARG H . 28 . HN 1 1 232 1 1 1 1 25 GLY HA3 . 25 . HA1 1 1 232 1 2 1 1 28 ARG QB . 28 . HB* 1 1 233 1 1 1 1 25 GLY HA2 . 25 . HA2 1 1 233 1 2 1 1 28 ARG QB . 28 . HB* 1 1 234 1 1 1 1 25 GLY HA3 . 25 . HA1 1 1 234 1 2 1 1 28 ARG QG . 28 . HG* 1 1 235 1 1 1 1 25 GLY HA2 . 25 . HA2 1 1 235 1 2 1 1 28 ARG QG . 28 . HG* 1 1 236 1 1 1 1 26 VAL H . 26 . HN 1 1 236 1 2 1 1 26 VAL HB . 26 . HB 1 1 237 1 1 1 1 26 VAL H . 26 . HN 1 1 237 1 2 1 1 26 VAL MG1 . 26 . HG1* 1 1 238 1 1 1 1 26 VAL H . 26 . HN 1 1 238 1 2 1 1 26 VAL MG2 . 26 . HG2* 1 1 239 1 1 1 1 26 VAL HA . 26 . HA 1 1 239 1 2 1 1 29 LEU HB3 . 29 . HB1 1 1 240 1 1 1 1 26 VAL HA . 26 . HA 1 1 240 1 2 1 1 29 LEU HB2 . 29 . HB2 1 1 241 1 1 1 1 26 VAL HA . 26 . HA 1 1 241 1 2 1 1 26 VAL MG1 . 26 . HG1* 1 1 242 1 1 1 1 26 VAL HA . 26 . HA 1 1 242 1 2 1 1 26 VAL MG2 . 26 . HG2* 1 1 243 1 1 1 1 26 VAL HA . 26 . HA 1 1 243 1 2 1 1 27 HIS H . 27 . HN 1 1 244 1 1 1 1 26 VAL HA . 26 . HA 1 1 244 1 2 1 1 29 LEU H . 29 . HN 1 1 245 1 1 1 1 26 VAL HA . 26 . HA 1 1 245 1 2 1 1 29 LEU HA . 29 . HA 1 1 246 1 1 1 1 26 VAL HA . 26 . HA 1 1 246 1 2 1 1 29 LEU HG . 29 . HG 1 1 247 1 1 1 1 26 VAL HA . 26 . HA 1 1 247 1 2 1 1 29 LEU QD . 29 . HD** 1 1 248 1 1 1 1 26 VAL HA . 26 . HA 1 1 248 1 2 1 1 30 ALA H . 30 . HN 1 1 249 1 1 1 1 26 VAL HB . 26 . HB 1 1 249 1 2 1 1 27 HIS H . 27 . HN 1 1 250 1 1 1 1 26 VAL MG1 . 26 . HG1* 1 1 250 1 2 1 1 27 HIS H . 27 . HN 1 1 251 1 1 1 1 26 VAL MG2 . 26 . HG2* 1 1 251 1 2 1 1 27 HIS H . 27 . HN 1 1 252 1 1 1 1 26 VAL MG1 . 26 . HG1* 1 1 252 1 2 1 1 30 ALA H . 30 . HN 1 1 253 1 1 1 1 26 VAL MG2 . 26 . HG2* 1 1 253 1 2 1 1 30 ALA H . 30 . HN 1 1 254 1 1 1 1 26 VAL MG1 . 26 . HG1* 1 1 254 1 2 1 1 30 ALA MB . 30 . HB* 1 1 255 1 1 1 1 26 VAL MG2 . 26 . HG2* 1 1 255 1 2 1 1 30 ALA MB . 30 . HB* 1 1 256 1 1 1 1 27 HIS H . 27 . HN 1 1 256 1 2 1 1 27 HIS HE1 . 27 . HE1 1 1 257 1 1 1 1 27 HIS QB . 27 . HB* 1 1 257 1 2 1 1 27 HIS HE1 . 27 . HE1 1 1 258 1 1 1 1 27 HIS HB3 . 27 . HB1 1 1 258 1 2 1 1 28 ARG H . 28 . HN 1 1 259 1 1 1 1 27 HIS HB2 . 27 . HB2 1 1 259 1 2 1 1 28 ARG H . 28 . HN 1 1 260 1 1 1 1 28 ARG H . 28 . HN 1 1 260 1 2 1 1 28 ARG QB . 28 . HB* 1 1 261 1 1 1 1 28 ARG H . 28 . HN 1 1 261 1 2 1 1 28 ARG QG . 28 . HG* 1 1 262 1 1 1 1 28 ARG HA . 28 . HA 1 1 262 1 2 1 1 28 ARG HE . 28 . HE* 1 1 263 1 1 1 1 28 ARG HA . 28 . HA 1 1 263 1 2 1 1 31 ASN H . 31 . HN 1 1 264 1 1 1 1 28 ARG HA . 28 . HA 1 1 264 1 2 1 1 31 ASN HB3 . 31 . HB1 1 1 265 1 1 1 1 28 ARG HA . 28 . HA 1 1 265 1 2 1 1 31 ASN HB2 . 31 . HB2 1 1 266 1 1 1 1 28 ARG QB . 28 . HB* 1 1 266 1 2 1 1 28 ARG HE . 28 . HE* 1 1 267 1 1 1 1 29 LEU H . 29 . HN 1 1 267 1 2 1 1 29 LEU HB3 . 29 . HB1 1 1 268 1 1 1 1 29 LEU H . 29 . HN 1 1 268 1 2 1 1 29 LEU HB2 . 29 . HB2 1 1 269 1 1 1 1 29 LEU H . 29 . HN 1 1 269 1 2 1 1 30 ALA H . 30 . HN 1 1 270 1 1 1 1 29 LEU H . 29 . HN 1 1 270 1 2 1 1 30 ALA MB . 30 . HB* 1 1 271 1 1 1 1 29 LEU HB3 . 29 . HB1 1 1 271 1 2 1 1 30 ALA H . 30 . HN 1 1 272 1 1 1 1 29 LEU HG . 29 . HG 1 1 272 1 2 1 1 30 ALA H . 30 . HN 1 1 273 1 1 1 1 29 LEU MD1 . 29 . HD1* 1 1 273 1 2 1 1 30 ALA H . 30 . HN 1 1 274 1 1 1 1 29 LEU MD2 . 29 . HD2* 1 1 274 1 2 1 1 30 ALA H . 30 . HN 1 1 275 1 1 1 1 30 ALA H . 30 . HN 1 1 275 1 2 1 1 30 ALA MB . 30 . HB* 1 1 276 1 1 1 1 30 ALA H . 30 . HN 1 1 276 1 2 1 1 31 ASN H . 31 . HN 1 1 277 1 1 1 1 30 ALA HA . 30 . HA 1 1 277 1 2 1 1 31 ASN H . 31 . HN 1 1 278 1 1 1 1 30 ALA MB . 30 . HB* 1 1 278 1 2 1 1 31 ASN H . 31 . HN 1 1 279 1 1 1 1 30 ALA MB . 30 . HB* 1 1 279 1 2 1 1 31 ASN QB . 31 . HB* 1 1 280 1 1 1 1 31 ASN H . 31 . HN 1 1 280 1 2 1 1 31 ASN HB3 . 31 . HB1 1 1 281 1 1 1 1 31 ASN H . 31 . HN 1 1 281 1 2 1 1 31 ASN HB2 . 31 . HB2 1 1 282 1 1 1 1 31 ASN H . 31 . HN 1 1 282 1 2 1 1 32 GLY H . 32 . HN 1 1 283 1 1 1 1 31 ASN HA . 31 . HA 1 1 283 1 2 1 1 32 GLY H . 32 . HN 1 1 284 1 1 1 1 31 ASN QB . 31 . HB* 1 1 284 1 2 1 1 32 GLY H . 32 . HN 1 1 285 1 1 1 1 32 GLY H . 32 . HN 1 1 285 1 2 1 1 33 GLY H . 33 . HN 1 1 286 1 1 1 1 32 GLY QA . 32 . HA* 1 1 286 1 2 1 1 33 GLY H . 33 . HN 1 1 287 1 1 1 1 33 GLY H . 33 . HN 1 1 287 1 2 1 1 34 ASN H . 34 . HN 1 1 288 1 1 1 1 33 GLY HA3 . 33 . HA1 1 1 288 1 2 1 1 34 ASN H . 34 . HN 1 1 289 1 1 1 1 33 GLY HA2 . 33 . HA2 1 1 289 1 2 1 1 34 ASN H . 34 . HN 1 1 290 1 1 1 1 34 ASN H . 34 . HN 1 1 290 1 2 1 1 34 ASN HB3 . 34 . HB1 1 1 291 1 1 1 1 34 ASN H . 34 . HN 1 1 291 1 2 1 1 34 ASN HB2 . 34 . HB2 1 1 292 1 1 1 1 34 ASN H . 34 . HN 1 1 292 1 2 1 1 35 GLY H . 35 . HN 1 1 293 1 1 1 1 34 ASN HA . 34 . HA 1 1 293 1 2 1 1 35 GLY H . 35 . HN 1 1 294 1 1 1 1 34 ASN HB3 . 34 . HB1 1 1 294 1 2 1 1 35 GLY H . 35 . HN 1 1 295 1 1 1 1 34 ASN HB2 . 34 . HB2 1 1 295 1 2 1 1 35 GLY H . 35 . HN 1 1 296 1 1 1 1 35 GLY H . 35 . HN 1 1 296 1 2 1 1 36 PHE H . 36 . HN 1 1 297 1 1 1 1 35 GLY HA3 . 35 . HA1 1 1 297 1 2 1 1 36 PHE H . 36 . HN 1 1 298 1 1 1 1 35 GLY HA2 . 35 . HA2 1 1 298 1 2 1 1 36 PHE H . 36 . HN 1 1 299 1 1 1 1 36 PHE H . 36 . HN 1 1 299 1 2 1 1 36 PHE HB3 . 36 . HB1 1 1 300 1 1 1 1 36 PHE H . 36 . HN 1 1 300 1 2 1 1 36 PHE HB2 . 36 . HB2 1 1 301 1 1 1 1 36 PHE HA . 36 . HA 1 1 301 1 2 1 1 36 PHE QD . 36 . HD* 1 1 302 1 1 1 1 36 PHE HA . 36 . HA 1 1 302 1 2 1 1 37 TRP H . 37 . HN 1 1 303 1 1 1 1 36 PHE HB3 . 36 . HB1 1 1 303 1 2 1 1 37 TRP H . 37 . HN 1 1 304 1 1 1 1 36 PHE HB2 . 36 . HB2 1 1 304 1 2 1 1 37 TRP H . 37 . HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.3 1.8 2.8 1 1 2 1 . . . . . 4.5 1.8 5.0 1 1 3 1 . . . . . 4.5 1.8 5.0 1 1 4 1 . . . . . 4.5 1.8 6.0 1 1 5 1 . . . . . 4.5 1.8 6.0 1 1 6 1 . . . . . 4.5 1.8 5.0 1 1 7 1 . . . . . 4.5 1.8 6.0 1 1 8 1 . . . . . 4.5 1.8 6.0 1 1 9 1 . . . . . 4.5 1.8 6.0 1 1 10 1 . . . . . 4.5 1.8 6.0 1 1 11 1 . . . . . 3.5 1.8 4.0 1 1 12 1 . . . . . 3.5 1.8 4.0 1 1 13 1 . . . . . 4.5 1.8 6.5 1 1 14 1 . . . . . 4.5 1.8 5.0 1 1 15 1 . . . . . 2.3 1.8 2.8 1 1 16 1 . . . . . 4.5 1.8 5.0 1 1 17 1 . . . . . 3.5 1.8 4.0 1 1 18 1 . . . . . 4.5 1.8 5.0 1 1 19 1 . . . . . 4.5 1.8 5.0 1 1 20 1 . . . . . 3.5 1.8 4.0 1 1 21 1 . . . . . 4.5 1.8 5.0 1 1 22 1 . . . . . 4.5 1.8 5.0 1 1 23 1 . . . . . 3.5 1.8 5.0 1 1 24 1 . . . . . 3.5 1.8 4.0 1 1 25 1 . . . . . 4.5 1.8 6.0 1 1 26 1 . . . . . 3.5 1.8 4.0 1 1 27 1 . . . . . 3.5 1.8 4.0 1 1 28 1 . . . . . 4.5 1.8 6.0 1 1 29 1 . . . . . 4.5 1.8 6.5 1 1 30 1 . . . . . 4.5 1.8 6.5 1 1 31 1 . . . . . 4.5 1.8 5.0 1 1 32 1 . . . . . 4.5 1.8 5.0 1 1 33 1 . . . . . 4.5 1.8 5.0 1 1 34 1 . . . . . 3.5 1.8 4.0 1 1 35 1 . . . . . 4.5 1.8 5.0 1 1 36 1 . . . . . 4.5 1.8 5.0 1 1 37 1 . . . . . 4.5 1.8 5.0 1 1 38 1 . . . . . 4.5 1.8 5.0 1 1 39 1 . . . . . 4.5 1.8 6.0 1 1 40 1 . . . . . 4.5 1.8 6.0 1 1 41 1 . . . . . 4.5 1.8 5.0 1 1 42 1 . . . . . 4.5 1.8 5.0 1 1 43 1 . . . . . 3.5 1.8 4.0 1 1 44 1 . . . . . 4.5 1.8 5.0 1 1 45 1 . . . . . 4.5 1.8 5.0 1 1 46 1 . . . . . 2.3 1.8 2.8 1 1 47 1 . . . . . 4.5 1.8 5.0 1 1 48 1 . . . . . 3.5 1.8 4.0 1 1 49 1 . . . . . 4.5 1.8 5.0 1 1 50 1 . . . . . 2.3 1.8 2.8 1 1 51 1 . . . . . 4.5 1.8 5.0 1 1 52 1 . . . . . 3.5 1.8 4.0 1 1 53 1 . . . . . 4.5 1.8 6.0 1 1 54 1 . . . . . 4.5 1.8 5.0 1 1 55 1 . . . . . 3.5 1.8 4.0 1 1 56 1 . . . . . 3.5 1.8 4.0 1 1 57 1 . . . . . 4.5 1.8 5.0 1 1 58 1 . . . . . 4.5 1.8 5.0 1 1 59 1 . . . . . 3.5 1.8 4.0 1 1 60 1 . . . . . 4.5 1.8 5.0 1 1 61 1 . . . . . 3.5 1.8 4.0 1 1 62 1 . . . . . 4.5 1.8 6.0 1 1 63 1 . . . . . 3.5 1.8 4.0 1 1 64 1 . . . . . 2.3 1.8 2.8 1 1 65 1 . . . . . 4.5 1.8 5.0 1 1 66 1 . . . . . 2.3 1.8 2.8 1 1 67 1 . . . . . 2.3 1.8 2.8 1 1 68 1 . . . . . 4.5 1.8 5.0 1 1 69 1 . . . . . 2.3 1.8 2.8 1 1 70 1 . . . . . 4.5 1.8 5.0 1 1 71 1 . . . . . 3.5 1.8 4.0 1 1 72 1 . . . . . 4.5 1.8 5.0 1 1 73 1 . . . . . 4.5 1.8 5.0 1 1 74 1 . . . . . 4.5 1.8 6.0 1 1 75 1 . . . . . 4.5 2.8 6.5 1 1 76 1 . . . . . 3.5 1.8 4.0 1 1 77 1 . . . . . 4.5 1.8 5.0 1 1 78 1 . . . . . 4.5 1.8 5.0 1 1 79 1 . . . . . 3.5 1.8 4.0 1 1 80 1 . . . . . 2.3 1.8 2.8 1 1 81 1 . . . . . 4.5 1.8 5.0 1 1 82 1 . . . . . 4.5 1.8 5.0 1 1 83 1 . . . . . 4.5 1.8 5.0 1 1 84 1 . . . . . 3.5 1.8 4.0 1 1 85 1 . . . . . 4.5 1.8 5.0 1 1 86 1 . . . . . 2.3 1.8 2.8 1 1 87 1 . . . . . 2.3 1.8 2.8 1 1 88 1 . . . . . 4.5 1.8 5.0 1 1 89 1 . . . . . 4.5 1.8 5.0 1 1 90 1 . . . . . 4.5 1.8 5.0 1 1 91 1 . . . . . 2.3 1.8 2.8 1 1 92 1 . . . . . 3.5 1.8 4.0 1 1 93 1 . . . . . 3.5 1.8 4.0 1 1 94 1 . . . . . 3.5 1.8 4.0 1 1 95 1 . . . . . 4.5 1.8 5.0 1 1 96 1 . . . . . 3.5 1.8 4.0 1 1 97 1 . . . . . 4.5 1.8 6.0 1 1 98 1 . . . . . 3.5 1.8 4.0 1 1 99 1 . . . . . 4.5 1.8 5.0 1 1 100 1 . . . . . 4.5 1.8 5.0 1 1 101 1 . . . . . 4.5 1.8 5.0 1 1 102 1 . . . . . 4.5 1.8 5.0 1 1 103 1 . . . . . 3.5 1.8 4.0 1 1 104 1 . . . . . 3.5 1.8 4.0 1 1 105 1 . . . . . 3.5 1.8 4.0 1 1 106 1 . . . . . 4.5 1.8 5.0 1 1 107 1 . . . . . 4.5 1.8 5.0 1 1 108 1 . . . . . 3.5 1.8 4.0 1 1 109 1 . . . . . 3.5 1.8 4.0 1 1 110 1 . . . . . 2.3 1.8 2.8 1 1 111 1 . . . . . 2.3 1.8 2.8 1 1 112 1 . . . . . 3.5 1.8 4.0 1 1 113 1 . . . . . 4.5 1.8 5.0 1 1 114 1 . . . . . 4.5 1.8 5.0 1 1 115 1 . . . . . 4.5 1.8 5.0 1 1 116 1 . . . . . 4.5 1.8 5.0 1 1 117 1 . . . . . 3.5 1.8 4.0 1 1 118 1 . . . . . 2.3 1.8 2.8 1 1 119 1 . . . . . 4.5 1.8 5.0 1 1 120 1 . . . . . 2.3 1.8 2.8 1 1 121 1 . . . . . 4.5 1.8 5.0 1 1 122 1 . . . . . 4.5 1.8 5.0 1 1 123 1 . . . . . 3.5 1.8 4.0 1 1 124 1 . . . . . 4.5 1.8 5.0 1 1 125 1 . . . . . 4.5 1.8 6.5 1 1 126 1 . . . . . 4.5 1.8 5.0 1 1 127 1 . . . . . 4.5 1.8 5.0 1 1 128 1 . . . . . 2.3 1.8 2.8 1 1 129 1 . . . . . 4.5 1.8 5.0 1 1 130 1 . . . . . 3.5 1.8 4.0 1 1 131 1 . . . . . 4.5 1.8 5.0 1 1 132 1 . . . . . 4.5 1.8 6.0 1 1 133 1 . . . . . 4.5 1.8 5.0 1 1 134 1 . . . . . 4.5 1.8 5.0 1 1 135 1 . . . . . 4.5 1.8 5.0 1 1 136 1 . . . . . 4.5 1.8 6.0 1 1 137 1 . . . . . 4.5 1.8 6.0 1 1 138 1 . . . . . 4.5 1.8 6.0 1 1 139 1 . . . . . 4.5 2.8 6.0 1 1 140 1 . . . . . 4.5 1.8 6.0 1 1 141 1 . . . . . 4.5 1.8 6.0 1 1 142 1 . . . . . 4.5 1.8 5.0 1 1 143 1 . . . . . 4.5 1.8 6.0 1 1 144 1 . . . . . 4.5 1.8 5.0 1 1 145 1 . . . . . 3.5 1.8 4.0 1 1 146 1 . . . . . 3.5 1.8 4.0 1 1 147 1 . . . . . 3.5 1.8 4.0 1 1 148 1 . . . . . 4.5 1.8 5.0 1 1 149 1 . . . . . 4.5 1.8 5.0 1 1 150 1 . . . . . 4.5 1.8 5.0 1 1 151 1 . . . . . 4.5 1.8 5.0 1 1 152 1 . . . . . 3.5 1.8 4.0 1 1 153 1 . . . . . 4.5 1.8 5.0 1 1 154 1 . . . . . 4.5 1.8 5.0 1 1 155 1 . . . . . 4.5 1.8 5.0 1 1 156 1 . . . . . 3.5 1.8 4.0 1 1 157 1 . . . . . 4.5 1.8 5.0 1 1 158 1 . . . . . 3.5 1.8 4.0 1 1 159 1 . . . . . 4.5 1.8 5.0 1 1 160 1 . . . . . 3.5 1.8 4.0 1 1 161 1 . . . . . 4.5 1.8 5.0 1 1 162 1 . . . . . 2.3 1.8 2.8 1 1 163 1 . . . . . 4.5 1.8 5.0 1 1 164 1 . . . . . 2.3 1.8 2.8 1 1 165 1 . . . . . 4.5 1.8 5.0 1 1 166 1 . . . . . 4.5 1.8 5.0 1 1 167 1 . . . . . 4.5 1.8 6.0 1 1 168 1 . . . . . 4.5 1.8 5.0 1 1 169 1 . . . . . 4.5 1.8 6.0 1 1 170 1 . . . . . 3.5 1.8 4.0 1 1 171 1 . . . . . 4.5 1.8 5.0 1 1 172 1 . . . . . 2.3 1.8 2.8 1 1 173 1 . . . . . 4.5 1.8 5.0 1 1 174 1 . . . . . 3.5 1.8 4.0 1 1 175 1 . . . . . 4.5 1.8 5.0 1 1 176 1 . . . . . 2.3 1.8 2.8 1 1 177 1 . . . . . 4.5 1.8 5.0 1 1 178 1 . . . . . 2.3 1.8 2.8 1 1 179 1 . . . . . 3.5 1.8 4.0 1 1 180 1 . . . . . 3.5 1.8 4.0 1 1 181 1 . . . . . 4.5 1.8 5.0 1 1 182 1 . . . . . 4.5 1.8 5.0 1 1 183 1 . . . . . 2.3 1.8 2.8 1 1 184 1 . . . . . 3.5 1.8 4.0 1 1 185 1 . . . . . 4.5 1.8 5.0 1 1 186 1 . . . . . 4.5 1.8 5.0 1 1 187 1 . . . . . 3.5 1.8 4.0 1 1 188 1 . . . . . 4.5 1.8 5.0 1 1 189 1 . . . . . 4.5 1.8 5.0 1 1 190 1 . . . . . 2.3 1.8 2.8 1 1 191 1 . . . . . 3.5 1.8 4.0 1 1 192 1 . . . . . 4.5 1.8 5.0 1 1 193 1 . . . . . 3.5 1.8 4.0 1 1 194 1 . . . . . 2.3 1.8 2.8 1 1 195 1 . . . . . 3.5 1.8 4.0 1 1 196 1 . . . . . 4.5 1.8 5.0 1 1 197 1 . . . . . 4.5 1.8 5.0 1 1 198 1 . . . . . 4.5 1.8 5.0 1 1 199 1 . . . . . 4.5 1.8 5.0 1 1 200 1 . . . . . 2.3 1.8 2.8 1 1 201 1 . . . . . 4.5 1.8 5.0 1 1 202 1 . . . . . 3.5 1.8 4.0 1 1 203 1 . . . . . 4.5 1.8 5.0 1 1 204 1 . . . . . 3.5 1.8 4.0 1 1 205 1 . . . . . 4.5 1.8 5.0 1 1 206 1 . . . . . 4.5 1.8 5.0 1 1 207 1 . . . . . 4.5 1.8 5.0 1 1 208 1 . . . . . 4.5 1.8 5.0 1 1 209 1 . . . . . 2.3 1.8 2.8 1 1 210 1 . . . . . 4.5 1.8 5.0 1 1 211 1 . . . . . 3.5 1.8 4.0 1 1 212 1 . . . . . 4.5 1.8 5.0 1 1 213 1 . . . . . 4.5 1.8 7.0 1 1 214 1 . . . . . 4.5 1.8 7.0 1 1 215 1 . . . . . 4.5 1.8 7.0 1 1 216 1 . . . . . 4.5 1.8 7.0 1 1 217 1 . . . . . 3.5 1.8 4.0 1 1 218 1 . . . . . 3.5 1.8 4.0 1 1 219 1 . . . . . 3.5 1.8 4.0 1 1 220 1 . . . . . 2.3 1.8 2.8 1 1 221 1 . . . . . 4.5 1.8 5.0 1 1 222 1 . . . . . 4.5 1.8 5.0 1 1 223 1 . . . . . 3.5 1.8 4.0 1 1 224 1 . . . . . 2.3 1.8 2.8 1 1 225 1 . . . . . 3.5 1.8 4.0 1 1 226 1 . . . . . 4.5 1.8 5.0 1 1 227 1 . . . . . 2.3 1.8 2.8 1 1 228 1 . . . . . 3.5 1.8 4.0 1 1 229 1 . . . . . 4.5 1.8 5.0 1 1 230 1 . . . . . 4.5 1.8 5.0 1 1 231 1 . . . . . 4.5 1.8 5.0 1 1 232 1 . . . . . 4.5 1.8 5.0 1 1 233 1 . . . . . 4.5 1.8 6.0 1 1 234 1 . . . . . 4.5 1.8 6.0 1 1 235 1 . . . . . 4.5 1.8 6.0 1 1 236 1 . . . . . 2.3 1.8 2.8 1 1 237 1 . . . . . 4.5 1.8 5.0 1 1 238 1 . . . . . 4.5 1.8 5.0 1 1 239 1 . . . . . 4.5 1.8 5.0 1 1 240 1 . . . . . 4.5 1.8 5.0 1 1 241 1 . . . . . 2.3 1.8 2.8 1 1 242 1 . . . . . 3.5 1.8 4.0 1 1 243 1 . . . . . 4.5 1.8 5.0 1 1 244 1 . . . . . 3.5 1.8 4.0 1 1 245 1 . . . . . 4.5 1.8 5.0 1 1 246 1 . . . . . 3.5 1.8 4.0 1 1 247 1 . . . . . 4.5 1.8 5.0 1 1 248 1 . . . . . 4.5 1.8 5.0 1 1 249 1 . . . . . 3.5 1.8 4.0 1 1 250 1 . . . . . 4.5 1.8 5.0 1 1 251 1 . . . . . 4.5 1.8 5.0 1 1 252 1 . . . . . 4.5 1.8 6.0 1 1 253 1 . . . . . 4.5 1.8 6.0 1 1 254 1 . . . . . 4.5 1.8 6.0 1 1 255 1 . . . . . 4.5 1.8 6.0 1 1 256 1 . . . . . 4.5 1.8 5.0 1 1 257 1 . . . . . 4.5 1.8 5.0 1 1 258 1 . . . . . 4.5 1.8 5.0 1 1 259 1 . . . . . 4.5 1.8 5.0 1 1 260 1 . . . . . 2.3 1.8 2.8 1 1 261 1 . . . . . 4.5 1.8 5.0 1 1 262 1 . . . . . 4.5 1.8 5.0 1 1 263 1 . . . . . 4.5 1.8 5.0 1 1 264 1 . . . . . 3.5 1.8 4.0 1 1 265 1 . . . . . 3.5 1.8 4.0 1 1 266 1 . . . . . 3.5 1.8 4.0 1 1 267 1 . . . . . 3.5 1.8 4.0 1 1 268 1 . . . . . 3.5 1.8 4.0 1 1 269 1 . . . . . 3.5 1.8 4.0 1 1 270 1 . . . . . 4.5 1.8 5.0 1 1 271 1 . . . . . 4.5 1.8 5.0 1 1 272 1 . . . . . 3.5 1.8 4.0 1 1 273 1 . . . . . 4.5 1.8 5.0 1 1 274 1 . . . . . 4.5 1.8 5.0 1 1 275 1 . . . . . 2.3 1.8 2.8 1 1 276 1 . . . . . 3.5 1.8 4.0 1 1 277 1 . . . . . 3.5 1.8 4.0 1 1 278 1 . . . . . 3.5 1.8 4.0 1 1 279 1 . . . . . 4.5 1.8 6.0 1 1 280 1 . . . . . 3.5 1.8 4.0 1 1 281 1 . . . . . 3.5 1.8 4.0 1 1 282 1 . . . . . 3.5 1.8 4.0 1 1 283 1 . . . . . 4.5 1.8 5.0 1 1 284 1 . . . . . 4.5 1.8 6.0 1 1 285 1 . . . . . 3.5 1.8 4.0 1 1 286 1 . . . . . 4.5 1.8 5.0 1 1 287 1 . . . . . 3.5 1.8 4.0 1 1 288 1 . . . . . 3.5 1.8 4.0 1 1 289 1 . . . . . 3.5 1.8 4.0 1 1 290 1 . . . . . 3.5 1.8 4.0 1 1 291 1 . . . . . 3.5 1.8 4.0 1 1 292 1 . . . . . 3.5 1.8 4.0 1 1 293 1 . . . . . 4.5 1.8 5.0 1 1 294 1 . . . . . 4.5 1.8 5.0 1 1 295 1 . . . . . 4.5 1.8 5.0 1 1 296 1 . . . . . 4.5 1.8 5.0 1 1 297 1 . . . . . 4.5 1.8 5.0 1 1 298 1 . . . . . 4.5 1.8 5.0 1 1 299 1 . . . . . 3.5 1.8 4.0 1 1 300 1 . . . . . 3.5 1.8 4.0 1 1 301 1 . . . . . 3.5 1.8 4.0 1 1 302 1 . . . . . 3.5 1.8 4.0 1 1 303 1 . . . . . 4.5 1.8 5.0 1 1 304 1 . . . . . 4.5 1.8 5.0 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 LYS QG . 1 . HG* 1 2 1 1 2 1 1 8 HIS HD2 . 8 . HD2 1 2 2 1 1 1 1 3 TYR QD . 3 . HD* 1 2 2 1 2 1 1 7 VAL QG . 7 . HG1* 1 2 3 1 1 1 1 3 TYR QE . 3 . HE* 1 2 3 1 2 1 1 7 VAL QG . 7 . HG1* 1 2 4 1 1 1 1 6 GLY H . 6 . HN 1 2 4 1 2 1 1 20 GLU QB . 20 . HB* 1 2 5 1 1 1 1 6 GLY H . 6 . HN 1 2 5 1 2 1 1 24 ALA MB . 24 . HB* 1 2 6 1 1 1 1 7 VAL QG . 7 . HG1* 1 2 6 1 2 1 1 8 HIS HA . 8 . HA 1 2 7 1 1 1 1 7 VAL QG . 7 . HG1* 1 2 7 1 2 1 1 14 CYS HA . 14 . HA 1 2 8 1 1 1 1 7 VAL QG . 7 . HG1* 1 2 8 1 2 1 1 15 SER H . 15 . HN 1 2 9 1 1 1 1 8 HIS HE1 . 8 . HE1 1 2 9 1 2 1 1 10 THR HG1 . 10 . HG* 1 2 9 1 2 1 1 10 THR MG . 10 . HG* 1 2 10 1 1 1 1 8 HIS HD2 . 8 . HD2 1 2 10 1 2 1 1 16 VAL QG . 16 . HG1* 1 2 11 1 1 1 1 8 HIS HD2 . 8 . HD2 1 2 11 1 2 1 1 20 GLU QB . 20 . HB* 1 2 12 1 1 1 1 10 THR HG1 . 10 . HG* 1 2 12 1 1 1 1 10 THR MG . 10 . HG* 1 2 12 1 2 1 1 13 GLY H . 13 . HN 1 2 13 1 1 1 1 11 LYS QB . 11 . HB* 1 2 13 1 2 1 1 13 GLY H . 13 . HN 1 2 14 1 1 1 1 16 VAL QG . 16 . HG1* 1 2 14 1 2 1 1 21 ALA H . 21 . HN 1 2 15 1 1 1 1 24 ALA HA . 24 . HA 1 2 15 1 2 1 1 27 HIS HE1 . 27 . HE1 1 2 16 1 1 1 1 26 VAL MG1 . 26 . HG1* 1 2 16 1 2 1 1 27 HIS HE1 . 27 . HE1 1 2 17 1 1 1 1 26 VAL MG2 . 26 . HG2* 1 2 17 1 2 1 1 27 HIS HE1 . 27 . HE1 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.5 1.8 7.0 1 2 2 1 . . . . . 4.5 1.8 6.0 1 2 3 1 . . . . . 4.5 1.8 6.0 1 2 4 1 . . . . . 4.5 1.8 6.0 1 2 5 1 . . . . . 4.5 1.8 6.0 1 2 6 1 . . . . . 4.5 1.8 6.5 1 2 7 1 . . . . . 4.5 1.8 7.0 1 2 8 1 . . . . . 4.5 1.8 6.0 1 2 9 1 . . . . . 4.5 1.8 6.0 1 2 10 1 . . . . . 4.5 1.8 6.0 1 2 11 1 . . . . . 4.5 1.8 6.0 1 2 12 1 . . . . . 4.5 1.8 6.0 1 2 13 1 . . . . . 4.5 1.8 6.0 1 2 14 1 . . . . . 4.5 1.8 7.0 1 2 15 1 . . . . . 4.5 1.8 6.0 1 2 16 1 . . . . . 4.5 1.8 6.0 1 2 17 1 . . . . . 4.5 1.8 6.0 1 2 stop_ save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type "hydrogen bond" _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 3 2 1 . . . 1 3 3 1 . . . 1 3 4 1 . . . 1 3 5 1 . . . 1 3 6 1 . . . 1 3 7 1 . . . 1 3 8 1 . . . 1 3 9 1 . . . 1 3 10 1 . . . 1 3 11 1 . . . 1 3 12 1 . . . 1 3 13 1 . . . 1 3 14 1 . . . 1 3 15 1 . . . 1 3 16 1 . . . 1 3 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 19 GLY O . 19 . O 1 3 1 1 2 1 1 23 SER H . 23 . HN 1 3 2 1 1 1 1 19 GLY O . 19 . O 1 3 2 1 2 1 1 23 SER N . 23 . N 1 3 3 1 1 1 1 20 GLU O . 20 . O 1 3 3 1 2 1 1 24 ALA H . 24 . HN 1 3 4 1 1 1 1 20 GLU O . 20 . O 1 3 4 1 2 1 1 24 ALA N . 24 . N 1 3 5 1 1 1 1 21 ALA O . 21 . O 1 3 5 1 2 1 1 25 GLY H . 25 . HN 1 3 6 1 1 1 1 21 ALA O . 21 . O 1 3 6 1 2 1 1 25 GLY N . 25 . N 1 3 7 1 1 1 1 22 PHE O . 22 . O 1 3 7 1 2 1 1 26 VAL H . 26 . HN 1 3 8 1 1 1 1 22 PHE O . 22 . O 1 3 8 1 2 1 1 26 VAL N . 26 . N 1 3 9 1 1 1 1 23 SER O . 23 . O 1 3 9 1 2 1 1 27 HIS H . 27 . HN 1 3 10 1 1 1 1 23 SER O . 23 . O 1 3 10 1 2 1 1 27 HIS N . 27 . N 1 3 11 1 1 1 1 24 ALA O . 24 . O 1 3 11 1 2 1 1 28 ARG H . 28 . HN 1 3 12 1 1 1 1 24 ALA O . 24 . O 1 3 12 1 2 1 1 28 ARG N . 28 . N 1 3 13 1 1 1 1 25 GLY O . 25 . O 1 3 13 1 2 1 1 29 LEU H . 29 . HN 1 3 14 1 1 1 1 25 GLY O . 25 . O 1 3 14 1 2 1 1 29 LEU N . 29 . N 1 3 15 1 1 1 1 26 VAL O . 26 . O 1 3 15 1 2 1 1 30 ALA H . 30 . HN 1 3 16 1 1 1 1 26 VAL O . 26 . O 1 3 16 1 2 1 1 30 ALA N . 30 . N 1 3 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 . . . . . 2.2 1.7 2.4 1 3 2 1 . . . . . 3.3 2.5 3.5 1 3 3 1 . . . . . 2.2 1.7 2.4 1 3 4 1 . . . . . 3.3 2.5 3.5 1 3 5 1 . . . . . 2.2 1.7 2.4 1 3 6 1 . . . . . 3.3 2.5 3.5 1 3 7 1 . . . . . 2.2 1.7 2.4 1 3 8 1 . . . . . 3.3 2.5 3.5 1 3 9 1 . . . . . 2.2 1.7 2.4 1 3 10 1 . . . . . 3.3 2.5 3.5 1 3 11 1 . . . . . 2.2 1.7 2.4 1 3 12 1 . . . . . 3.3 2.5 3.5 1 3 13 1 . . . . . 2.2 1.7 2.4 1 3 14 1 . . . . . 3.3 2.5 3.5 1 3 15 1 . . . . . 2.2 1.7 2.4 1 3 16 1 . . . . . 3.3 2.5 3.5 1 3 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 LYS C C -6.260 -4.654 4.914 1.00 . A A . 1 LYS C 1 1 1 2 1 1 1 LYS CA C -7.189 -5.431 5.844 1.00 . A A . 1 LYS CA 1 1 1 3 1 1 1 LYS CB C -8.133 -6.319 5.024 1.00 . A A . 1 LYS CB 1 1 1 4 1 1 1 LYS CD C -10.029 -6.441 3.370 1.00 . A A . 1 LYS CD 1 1 1 5 1 1 1 LYS CE C -11.247 -6.561 4.274 1.00 . A A . 1 LYS CE 1 1 1 6 1 1 1 LYS CG C -8.951 -5.561 3.987 1.00 . A A . 1 LYS CG 1 1 1 7 1 1 1 LYS HA H -6.596 -6.052 6.497 1.00 . A A . 1 LYS HA 1 1 1 8 1 1 1 LYS HB2 H -7.547 -7.062 4.506 1.00 . A A . 1 LYS HB2 1 1 1 9 1 1 1 LYS HB3 H -8.816 -6.815 5.696 1.00 . A A . 1 LYS HB3 1 1 1 10 1 1 1 LYS HD2 H -10.335 -6.009 2.429 1.00 . A A . 1 LYS HD2 1 1 1 11 1 1 1 LYS HD3 H -9.619 -7.426 3.198 1.00 . A A . 1 LYS HD3 1 1 1 12 1 1 1 LYS HE2 H -10.918 -6.563 5.302 1.00 . A A . 1 LYS HE2 1 1 1 13 1 1 1 LYS HE3 H -11.891 -5.711 4.103 1.00 . A A . 1 LYS HE3 1 1 1 14 1 1 1 LYS HG2 H -9.421 -4.716 4.463 1.00 . A A . 1 LYS HG2 1 1 1 15 1 1 1 LYS HG3 H -8.291 -5.218 3.204 1.00 . A A . 1 LYS HG3 1 1 1 16 1 1 1 LYS HZ1 H -12.709 -7.649 3.250 1.00 . A A . 1 LYS HZ1 1 1 1 17 1 1 1 LYS HZ2 H -12.521 -8.107 4.868 1.00 . A A . 1 LYS HZ2 1 1 1 18 1 1 1 LYS HZ3 H -11.370 -8.572 3.719 1.00 . A A . 1 LYS HZ3 1 1 1 19 1 1 1 LYS N N -8.011 -4.516 6.679 1.00 . A A . 1 LYS N 1 1 1 20 1 1 1 LYS NZ N -12.015 -7.810 4.009 1.00 . A A . 1 LYS NZ 1 1 1 21 1 1 1 LYS O O -6.716 -3.999 3.982 1.00 . A A . 1 LYS O 1 1 1 22 1 1 2 TYR C C -3.716 -4.813 3.063 1.00 . A A . 2 TYR C 1 1 1 23 1 1 2 TYR CA C -3.990 -4.025 4.333 1.00 . A A . 2 TYR CA 1 1 1 24 1 1 2 TYR CB C -2.685 -3.838 5.083 1.00 . A A . 2 TYR CB 1 1 1 25 1 1 2 TYR CD1 C -2.670 -1.435 5.679 1.00 . A A . 2 TYR CD1 1 1 1 26 1 1 2 TYR CD2 C -1.090 -2.175 4.078 1.00 . A A . 2 TYR CD2 1 1 1 27 1 1 2 TYR CE1 C -2.183 -0.155 5.579 1.00 . A A . 2 TYR CE1 1 1 1 28 1 1 2 TYR CE2 C -0.591 -0.900 3.969 1.00 . A A . 2 TYR CE2 1 1 1 29 1 1 2 TYR CG C -2.134 -2.457 4.940 1.00 . A A . 2 TYR CG 1 1 1 30 1 1 2 TYR CZ C -1.139 0.110 4.724 1.00 . A A . 2 TYR CZ 1 1 1 31 1 1 2 TYR H H -4.633 -5.250 5.923 1.00 . A A . 2 TYR H 1 1 1 32 1 1 2 TYR HA H -4.392 -3.052 4.090 1.00 . A A . 2 TYR HA 1 1 1 33 1 1 2 TYR HB2 H -2.853 -4.014 6.132 1.00 . A A . 2 TYR HB2 1 1 1 34 1 1 2 TYR HB3 H -1.950 -4.533 4.711 1.00 . A A . 2 TYR HB3 1 1 1 35 1 1 2 TYR HD1 H -3.496 -1.654 6.335 1.00 . A A . 2 TYR HD1 1 1 1 36 1 1 2 TYR HD2 H -0.665 -2.965 3.488 1.00 . A A . 2 TYR HD2 1 1 1 37 1 1 2 TYR HE1 H -2.618 0.631 6.172 1.00 . A A . 2 TYR HE1 1 1 1 38 1 1 2 TYR HE2 H 0.215 -0.698 3.287 1.00 . A A . 2 TYR HE2 1 1 1 39 1 1 2 TYR HH H 0.320 1.346 4.598 1.00 . A A . 2 TYR HH 1 1 1 40 1 1 2 TYR N N -4.955 -4.726 5.163 1.00 . A A . 2 TYR N 1 1 1 41 1 1 2 TYR O O -3.591 -6.036 3.099 1.00 . A A . 2 TYR O 1 1 1 42 1 1 2 TYR OH O -0.639 1.383 4.622 1.00 . A A . 2 TYR OH 1 1 1 43 1 1 3 TYR C C -1.915 -4.443 0.203 1.00 . A A . 3 TYR C 1 1 1 44 1 1 3 TYR CA C -3.328 -4.764 0.669 1.00 . A A . 3 TYR CA 1 1 1 45 1 1 3 TYR CB C -4.352 -4.329 -0.382 1.00 . A A . 3 TYR CB 1 1 1 46 1 1 3 TYR CD1 C -5.634 -6.443 -0.873 1.00 . A A . 3 TYR CD1 1 1 1 47 1 1 3 TYR CD2 C -6.796 -4.652 0.188 1.00 . A A . 3 TYR CD2 1 1 1 48 1 1 3 TYR CE1 C -6.784 -7.208 -0.850 1.00 . A A . 3 TYR CE1 1 1 1 49 1 1 3 TYR CE2 C -7.950 -5.410 0.216 1.00 . A A . 3 TYR CE2 1 1 1 50 1 1 3 TYR CG C -5.619 -5.155 -0.356 1.00 . A A . 3 TYR CG 1 1 1 51 1 1 3 TYR CZ C -7.940 -6.687 -0.305 1.00 . A A . 3 TYR CZ 1 1 1 52 1 1 3 TYR H H -3.691 -3.135 1.981 1.00 . A A . 3 TYR H 1 1 1 53 1 1 3 TYR HA H -3.410 -5.835 0.814 1.00 . A A . 3 TYR HA 1 1 1 54 1 1 3 TYR HB2 H -4.622 -3.299 -0.209 1.00 . A A . 3 TYR HB2 1 1 1 55 1 1 3 TYR HB3 H -3.915 -4.423 -1.366 1.00 . A A . 3 TYR HB3 1 1 1 56 1 1 3 TYR HD1 H -4.728 -6.847 -1.299 1.00 . A A . 3 TYR HD1 1 1 1 57 1 1 3 TYR HD2 H -6.799 -3.654 0.599 1.00 . A A . 3 TYR HD2 1 1 1 58 1 1 3 TYR HE1 H -6.776 -8.206 -1.258 1.00 . A A . 3 TYR HE1 1 1 1 59 1 1 3 TYR HE2 H -8.855 -5.002 0.642 1.00 . A A . 3 TYR HE2 1 1 1 60 1 1 3 TYR HH H -9.603 -7.278 -1.068 1.00 . A A . 3 TYR HH 1 1 1 61 1 1 3 TYR N N -3.601 -4.112 1.947 1.00 . A A . 3 TYR N 1 1 1 62 1 1 3 TYR O O -1.679 -4.181 -0.976 1.00 . A A . 3 TYR O 1 1 1 63 1 1 3 TYR OH O -9.086 -7.447 -0.276 1.00 . A A . 3 TYR OH 1 1 1 64 1 1 4 GLY C C 0.576 -2.920 -0.053 1.00 . A A . 4 GLY C 1 1 1 65 1 1 4 GLY CA C 0.412 -4.139 0.842 1.00 . A A . 4 GLY CA 1 1 1 66 1 1 4 GLY H H -1.234 -4.637 2.077 1.00 . A A . 4 GLY H 1 1 1 67 1 1 4 GLY HA2 H 0.940 -3.964 1.766 1.00 . A A . 4 GLY HA2 1 1 1 68 1 1 4 GLY HA3 H 0.852 -5.000 0.348 1.00 . A A . 4 GLY HA3 1 1 1 69 1 1 4 GLY N N -0.977 -4.439 1.151 1.00 . A A . 4 GLY N 1 1 1 70 1 1 4 GLY O O 1.620 -2.743 -0.680 1.00 . A A . 4 GLY O 1 1 1 71 1 1 5 ASN C C -1.212 0.246 -0.284 1.00 . A A . 5 ASN C 1 1 1 72 1 1 5 ASN CA C -0.427 -0.881 -0.945 1.00 . A A . 5 ASN CA 1 1 1 73 1 1 5 ASN CB C -1.010 -1.185 -2.330 1.00 . A A . 5 ASN CB 1 1 1 74 1 1 5 ASN CG C 0.063 -1.346 -3.387 1.00 . A A . 5 ASN CG 1 1 1 75 1 1 5 ASN H H -1.265 -2.277 0.403 1.00 . A A . 5 ASN H 1 1 1 76 1 1 5 ASN HA H 0.604 -0.572 -1.051 1.00 . A A . 5 ASN HA 1 1 1 77 1 1 5 ASN HB2 H -1.580 -2.101 -2.281 1.00 . A A . 5 ASN HB2 1 1 1 78 1 1 5 ASN HB3 H -1.662 -0.378 -2.627 1.00 . A A . 5 ASN HB3 1 1 1 79 1 1 5 ASN HD21 H -1.135 -0.547 -4.759 1.00 . A A . 5 ASN HD21 1 1 1 80 1 1 5 ASN HD22 H 0.432 -1.021 -5.313 1.00 . A A . 5 ASN HD22 1 1 1 81 1 1 5 ASN N N -0.458 -2.083 -0.118 1.00 . A A . 5 ASN N 1 1 1 82 1 1 5 ASN ND2 N -0.244 -0.930 -4.610 1.00 . A A . 5 ASN ND2 1 1 1 83 1 1 5 ASN O O -2.106 0.832 -0.898 1.00 . A A . 5 ASN O 1 1 1 84 1 1 5 ASN OD1 O 1.155 -1.839 -3.108 1.00 . A A . 5 ASN OD1 1 1 1 85 1 1 6 GLY C C -3.094 1.552 1.431 1.00 . A A . 6 GLY C 1 1 1 86 1 1 6 GLY CA C -1.604 1.587 1.688 1.00 . A A . 6 GLY CA 1 1 1 87 1 1 6 GLY H H -0.190 0.026 1.429 1.00 . A A . 6 GLY H 1 1 1 88 1 1 6 GLY HA2 H -1.429 1.475 2.741 1.00 . A A . 6 GLY HA2 1 1 1 89 1 1 6 GLY HA3 H -1.223 2.540 1.372 1.00 . A A . 6 GLY HA3 1 1 1 90 1 1 6 GLY N N -0.896 0.537 0.976 1.00 . A A . 6 GLY N 1 1 1 91 1 1 6 GLY O O -3.726 2.585 1.233 1.00 . A A . 6 GLY O 1 1 1 92 1 1 7 VAL C C -5.665 -0.763 2.215 1.00 . A A . 7 VAL C 1 1 1 93 1 1 7 VAL CA C -5.076 0.175 1.185 1.00 . A A . 7 VAL CA 1 1 1 94 1 1 7 VAL CB C -5.384 -0.383 -0.216 1.00 . A A . 7 VAL CB 1 1 1 95 1 1 7 VAL CG1 C -6.824 -0.839 -0.275 1.00 . A A . 7 VAL CG1 1 1 1 96 1 1 7 VAL CG2 C -5.139 0.664 -1.283 1.00 . A A . 7 VAL CG2 1 1 1 97 1 1 7 VAL H H -3.091 -0.438 1.577 1.00 . A A . 7 VAL H 1 1 1 98 1 1 7 VAL HA H -5.561 1.138 1.276 1.00 . A A . 7 VAL HA 1 1 1 99 1 1 7 VAL HB H -4.742 -1.231 -0.404 1.00 . A A . 7 VAL HB 1 1 1 100 1 1 7 VAL HG11 H -6.928 -1.770 0.260 1.00 . A A . 7 VAL HG11 1 1 1 101 1 1 7 VAL HG12 H -7.120 -0.972 -1.304 1.00 . A A . 7 VAL HG12 1 1 1 102 1 1 7 VAL HG13 H -7.442 -0.085 0.191 1.00 . A A . 7 VAL HG13 1 1 1 103 1 1 7 VAL HG21 H -6.086 1.115 -1.558 1.00 . A A . 7 VAL HG21 1 1 1 104 1 1 7 VAL HG22 H -4.696 0.197 -2.149 1.00 . A A . 7 VAL HG22 1 1 1 105 1 1 7 VAL HG23 H -4.477 1.422 -0.900 1.00 . A A . 7 VAL HG23 1 1 1 106 1 1 7 VAL N N -3.652 0.351 1.422 1.00 . A A . 7 VAL N 1 1 1 107 1 1 7 VAL O O -5.349 -1.953 2.246 1.00 . A A . 7 VAL O 1 1 1 108 1 1 8 HIS C C -8.647 -0.815 4.054 1.00 . A A . 8 HIS C 1 1 1 109 1 1 8 HIS CA C -7.149 -0.999 4.095 1.00 . A A . 8 HIS CA 1 1 1 110 1 1 8 HIS CB C -6.614 -0.617 5.479 1.00 . A A . 8 HIS CB 1 1 1 111 1 1 8 HIS CD2 C -4.636 0.850 4.662 1.00 . A A . 8 HIS CD2 1 1 1 112 1 1 8 HIS CE1 C -4.819 2.464 6.132 1.00 . A A . 8 HIS CE1 1 1 1 113 1 1 8 HIS CG C -5.680 0.551 5.471 1.00 . A A . 8 HIS CG 1 1 1 114 1 1 8 HIS H H -6.725 0.737 2.983 1.00 . A A . 8 HIS H 1 1 1 115 1 1 8 HIS HA H -6.925 -2.035 3.907 1.00 . A A . 8 HIS HA 1 1 1 116 1 1 8 HIS HB2 H -7.445 -0.367 6.119 1.00 . A A . 8 HIS HB2 1 1 1 117 1 1 8 HIS HB3 H -6.086 -1.462 5.897 1.00 . A A . 8 HIS HB3 1 1 1 118 1 1 8 HIS HD1 H -6.423 1.653 7.104 1.00 . A A . 8 HIS HD1 1 1 1 119 1 1 8 HIS HD2 H -4.262 0.244 3.844 1.00 . A A . 8 HIS HD2 1 1 1 120 1 1 8 HIS HE1 H -4.646 3.372 6.684 1.00 . A A . 8 HIS HE1 1 1 1 121 1 1 8 HIS HE2 H -3.327 2.490 4.728 1.00 . A A . 8 HIS HE2 1 1 1 122 1 1 8 HIS N N -6.517 -0.218 3.059 1.00 . A A . 8 HIS N 1 1 1 123 1 1 8 HIS ND1 N -5.765 1.581 6.381 1.00 . A A . 8 HIS ND1 1 1 1 124 1 1 8 HIS NE2 N -4.119 2.044 5.094 1.00 . A A . 8 HIS NE2 1 1 1 125 1 1 8 HIS O O -9.148 0.254 3.702 1.00 . A A . 8 HIS O 1 1 1 126 1 1 9 CYS C C -11.292 -1.826 5.863 1.00 . A A . 9 CYS C 1 1 1 127 1 1 9 CYS CA C -10.796 -1.809 4.431 1.00 . A A . 9 CYS CA 1 1 1 128 1 1 9 CYS CB C -11.391 -2.964 3.637 1.00 . A A . 9 CYS CB 1 1 1 129 1 1 9 CYS H H -8.904 -2.684 4.685 1.00 . A A . 9 CYS H 1 1 1 130 1 1 9 CYS HA H -11.086 -0.880 3.976 1.00 . A A . 9 CYS HA 1 1 1 131 1 1 9 CYS HB2 H -11.335 -3.860 4.231 1.00 . A A . 9 CYS HB2 1 1 1 132 1 1 9 CYS HB3 H -12.421 -2.736 3.425 1.00 . A A . 9 CYS HB3 1 1 1 133 1 1 9 CYS N N -9.359 -1.861 4.415 1.00 . A A . 9 CYS N 1 1 1 134 1 1 9 CYS O O -11.383 -2.879 6.496 1.00 . A A . 9 CYS O 1 1 1 135 1 1 9 CYS SG S -10.561 -3.297 2.052 1.00 . A A . 9 CYS SG 1 1 1 136 1 1 10 THR C C -13.567 -0.373 7.795 1.00 . A A . 10 THR C 1 1 1 137 1 1 10 THR CA C -12.056 -0.500 7.744 1.00 . A A . 10 THR CA 1 1 1 138 1 1 10 THR CB C -11.410 0.723 8.404 1.00 . A A . 10 THR CB 1 1 1 139 1 1 10 THR CG2 C -9.896 0.683 8.400 1.00 . A A . 10 THR CG2 1 1 1 140 1 1 10 THR H H -11.479 0.157 5.817 1.00 . A A . 10 THR H 1 1 1 141 1 1 10 THR HA H -11.773 -1.381 8.290 1.00 . A A . 10 THR HA 1 1 1 142 1 1 10 THR HB H -11.734 0.771 9.434 1.00 . A A . 10 THR HB 1 1 1 143 1 1 10 THR HG1 H -11.955 1.749 6.824 1.00 . A A . 10 THR HG1 1 1 1 144 1 1 10 THR HG21 H -9.561 -0.340 8.485 1.00 . A A . 10 THR HG21 1 1 1 145 1 1 10 THR HG22 H -9.518 1.256 9.235 1.00 . A A . 10 THR HG22 1 1 1 146 1 1 10 THR HG23 H -9.527 1.109 7.477 1.00 . A A . 10 THR HG23 1 1 1 147 1 1 10 THR N N -11.589 -0.643 6.374 1.00 . A A . 10 THR N 1 1 1 148 1 1 10 THR O O -14.204 -0.006 6.808 1.00 . A A . 10 THR O 1 1 1 149 1 1 10 THR OG1 O -11.812 1.920 7.758 1.00 . A A . 10 THR OG1 1 1 1 150 1 1 11 LYS C C -16.372 -1.039 7.954 1.00 . A A . 11 LYS C 1 1 1 151 1 1 11 LYS CA C -15.567 -0.621 9.188 1.00 . A A . 11 LYS CA 1 1 1 152 1 1 11 LYS CB C -15.942 0.792 9.613 1.00 . A A . 11 LYS CB 1 1 1 153 1 1 11 LYS CD C -16.671 3.057 8.805 1.00 . A A . 11 LYS CD 1 1 1 154 1 1 11 LYS CE C -17.834 3.246 7.845 1.00 . A A . 11 LYS CE 1 1 1 155 1 1 11 LYS CG C -15.872 1.803 8.483 1.00 . A A . 11 LYS CG 1 1 1 156 1 1 11 LYS H H -13.544 -0.968 9.699 1.00 . A A . 11 LYS H 1 1 1 157 1 1 11 LYS HA H -15.800 -1.298 9.997 1.00 . A A . 11 LYS HA 1 1 1 158 1 1 11 LYS HB2 H -16.947 0.785 10.004 1.00 . A A . 11 LYS HB2 1 1 1 159 1 1 11 LYS HB3 H -15.260 1.106 10.389 1.00 . A A . 11 LYS HB3 1 1 1 160 1 1 11 LYS HD2 H -17.059 2.977 9.810 1.00 . A A . 11 LYS HD2 1 1 1 161 1 1 11 LYS HD3 H -16.018 3.914 8.738 1.00 . A A . 11 LYS HD3 1 1 1 162 1 1 11 LYS HE2 H -17.835 4.269 7.498 1.00 . A A . 11 LYS HE2 1 1 1 163 1 1 11 LYS HE3 H -17.704 2.581 7.004 1.00 . A A . 11 LYS HE3 1 1 1 164 1 1 11 LYS HG2 H -14.842 2.078 8.325 1.00 . A A . 11 LYS HG2 1 1 1 165 1 1 11 LYS HG3 H -16.264 1.348 7.585 1.00 . A A . 11 LYS HG3 1 1 1 166 1 1 11 LYS HZ1 H -19.070 2.089 9.067 1.00 . A A . 11 LYS HZ1 1 1 1 167 1 1 11 LYS HZ2 H -19.878 2.824 7.777 1.00 . A A . 11 LYS HZ2 1 1 1 168 1 1 11 LYS HZ3 H -19.414 3.745 9.117 1.00 . A A . 11 LYS HZ3 1 1 1 169 1 1 11 LYS N N -14.125 -0.684 8.960 1.00 . A A . 11 LYS N 1 1 1 170 1 1 11 LYS NZ N -19.140 2.956 8.497 1.00 . A A . 11 LYS NZ 1 1 1 171 1 1 11 LYS O O -17.457 -0.516 7.699 1.00 . A A . 11 LYS O 1 1 1 172 1 1 12 SER C C -16.384 -1.535 4.847 1.00 . A A . 12 SER C 1 1 1 173 1 1 12 SER CA C -16.481 -2.524 6.007 1.00 . A A . 12 SER CA 1 1 1 174 1 1 12 SER CB C -17.948 -2.872 6.285 1.00 . A A . 12 SER CB 1 1 1 175 1 1 12 SER H H -14.974 -2.371 7.487 1.00 . A A . 12 SER H 1 1 1 176 1 1 12 SER HA H -15.959 -3.425 5.729 1.00 . A A . 12 SER HA 1 1 1 177 1 1 12 SER HB2 H -18.252 -3.675 5.631 1.00 . A A . 12 SER HB2 1 1 1 178 1 1 12 SER HB3 H -18.053 -3.186 7.312 1.00 . A A . 12 SER HB3 1 1 1 179 1 1 12 SER HG H -18.715 -1.142 6.790 1.00 . A A . 12 SER HG 1 1 1 180 1 1 12 SER N N -15.833 -2.000 7.213 1.00 . A A . 12 SER N 1 1 1 181 1 1 12 SER O O -17.366 -1.272 4.152 1.00 . A A . 12 SER O 1 1 1 182 1 1 12 SER OG O -18.795 -1.758 6.059 1.00 . A A . 12 SER OG 1 1 1 183 1 1 13 GLY C C -13.484 0.065 3.237 1.00 . A A . 13 GLY C 1 1 1 184 1 1 13 GLY CA C -14.958 -0.062 3.560 1.00 . A A . 13 GLY CA 1 1 1 185 1 1 13 GLY H H -14.442 -1.266 5.222 1.00 . A A . 13 GLY H 1 1 1 186 1 1 13 GLY HA2 H -15.489 -0.396 2.681 1.00 . A A . 13 GLY HA2 1 1 1 187 1 1 13 GLY HA3 H -15.338 0.906 3.854 1.00 . A A . 13 GLY HA3 1 1 1 188 1 1 13 GLY N N -15.186 -1.006 4.639 1.00 . A A . 13 GLY N 1 1 1 189 1 1 13 GLY O O -12.676 0.314 4.129 1.00 . A A . 13 GLY O 1 1 1 190 1 1 14 CYS C C -11.366 1.413 1.194 1.00 . A A . 14 CYS C 1 1 1 191 1 1 14 CYS CA C -11.735 -0.012 1.549 1.00 . A A . 14 CYS CA 1 1 1 192 1 1 14 CYS CB C -11.449 -0.940 0.376 1.00 . A A . 14 CYS CB 1 1 1 193 1 1 14 CYS H H -13.815 -0.308 1.295 1.00 . A A . 14 CYS H 1 1 1 194 1 1 14 CYS HA H -11.118 -0.304 2.374 1.00 . A A . 14 CYS HA 1 1 1 195 1 1 14 CYS HB2 H -11.991 -0.596 -0.489 1.00 . A A . 14 CYS HB2 1 1 1 196 1 1 14 CYS HB3 H -10.391 -0.915 0.170 1.00 . A A . 14 CYS HB3 1 1 1 197 1 1 14 CYS N N -13.128 -0.108 1.965 1.00 . A A . 14 CYS N 1 1 1 198 1 1 14 CYS O O -12.018 2.061 0.374 1.00 . A A . 14 CYS O 1 1 1 199 1 1 14 CYS SG S -11.911 -2.677 0.669 1.00 . A A . 14 CYS SG 1 1 1 200 1 1 15 SER C C -8.297 3.290 1.716 1.00 . A A . 15 SER C 1 1 1 201 1 1 15 SER CA C -9.814 3.239 1.598 1.00 . A A . 15 SER CA 1 1 1 202 1 1 15 SER CB C -10.448 4.212 2.591 1.00 . A A . 15 SER CB 1 1 1 203 1 1 15 SER H H -9.831 1.300 2.462 1.00 . A A . 15 SER H 1 1 1 204 1 1 15 SER HA H -10.092 3.528 0.596 1.00 . A A . 15 SER HA 1 1 1 205 1 1 15 SER HB2 H -11.523 4.106 2.559 1.00 . A A . 15 SER HB2 1 1 1 206 1 1 15 SER HB3 H -10.094 3.989 3.586 1.00 . A A . 15 SER HB3 1 1 1 207 1 1 15 SER HG H -10.887 6.111 2.394 1.00 . A A . 15 SER HG 1 1 1 208 1 1 15 SER N N -10.302 1.884 1.824 1.00 . A A . 15 SER N 1 1 1 209 1 1 15 SER O O -7.662 2.296 2.068 1.00 . A A . 15 SER O 1 1 1 210 1 1 15 SER OG O -10.114 5.553 2.277 1.00 . A A . 15 SER OG 1 1 1 211 1 1 16 VAL C C -5.867 5.722 2.431 1.00 . A A . 16 VAL C 1 1 1 212 1 1 16 VAL CA C -6.272 4.613 1.470 1.00 . A A . 16 VAL CA 1 1 1 213 1 1 16 VAL CB C -5.670 4.944 0.093 1.00 . A A . 16 VAL CB 1 1 1 214 1 1 16 VAL CG1 C -4.158 4.960 0.159 1.00 . A A . 16 VAL CG1 1 1 1 215 1 1 16 VAL CG2 C -6.105 3.948 -0.940 1.00 . A A . 16 VAL CG2 1 1 1 216 1 1 16 VAL H H -8.279 5.199 1.119 1.00 . A A . 16 VAL H 1 1 1 217 1 1 16 VAL HA H -5.844 3.682 1.812 1.00 . A A . 16 VAL HA 1 1 1 218 1 1 16 VAL HB H -6.016 5.923 -0.207 1.00 . A A . 16 VAL HB 1 1 1 219 1 1 16 VAL HG11 H -3.795 5.914 -0.179 1.00 . A A . 16 VAL HG11 1 1 1 220 1 1 16 VAL HG12 H -3.765 4.178 -0.475 1.00 . A A . 16 VAL HG12 1 1 1 221 1 1 16 VAL HG13 H -3.843 4.785 1.173 1.00 . A A . 16 VAL HG13 1 1 1 222 1 1 16 VAL HG21 H -7.093 4.197 -1.292 1.00 . A A . 16 VAL HG21 1 1 1 223 1 1 16 VAL HG22 H -6.104 2.966 -0.491 1.00 . A A . 16 VAL HG22 1 1 1 224 1 1 16 VAL HG23 H -5.404 3.974 -1.764 1.00 . A A . 16 VAL HG23 1 1 1 225 1 1 16 VAL N N -7.720 4.446 1.404 1.00 . A A . 16 VAL N 1 1 1 226 1 1 16 VAL O O -6.242 6.881 2.253 1.00 . A A . 16 VAL O 1 1 1 227 1 1 17 ASN C C -3.545 7.250 3.690 1.00 . A A . 17 ASN C 1 1 1 228 1 1 17 ASN CA C -4.563 6.343 4.380 1.00 . A A . 17 ASN CA 1 1 1 229 1 1 17 ASN CB C -3.918 5.645 5.582 1.00 . A A . 17 ASN CB 1 1 1 230 1 1 17 ASN CG C -4.720 5.828 6.856 1.00 . A A . 17 ASN CG 1 1 1 231 1 1 17 ASN H H -4.773 4.429 3.494 1.00 . A A . 17 ASN H 1 1 1 232 1 1 17 ASN HA H -5.392 6.939 4.716 1.00 . A A . 17 ASN HA 1 1 1 233 1 1 17 ASN HB2 H -3.838 4.588 5.376 1.00 . A A . 17 ASN HB2 1 1 1 234 1 1 17 ASN HB3 H -2.929 6.050 5.741 1.00 . A A . 17 ASN HB3 1 1 1 235 1 1 17 ASN HD21 H -3.349 7.081 7.560 1.00 . A A . 17 ASN HD21 1 1 1 236 1 1 17 ASN HD22 H -4.697 6.784 8.599 1.00 . A A . 17 ASN HD22 1 1 1 237 1 1 17 ASN N N -5.061 5.364 3.424 1.00 . A A . 17 ASN N 1 1 1 238 1 1 17 ASN ND2 N -4.204 6.648 7.764 1.00 . A A . 17 ASN ND2 1 1 1 239 1 1 17 ASN O O -3.208 8.326 4.184 1.00 . A A . 17 ASN O 1 1 1 240 1 1 17 ASN OD1 O -5.790 5.242 7.023 1.00 . A A . 17 ASN OD1 1 1 1 241 1 1 18 TRP C C -0.783 7.660 2.472 1.00 . A A . 18 TRP C 1 1 1 242 1 1 18 TRP CA C -2.095 7.513 1.732 1.00 . A A . 18 TRP CA 1 1 1 243 1 1 18 TRP CB C -2.668 8.857 1.297 1.00 . A A . 18 TRP CB 1 1 1 244 1 1 18 TRP CD1 C -5.018 8.903 0.291 1.00 . A A . 18 TRP CD1 1 1 1 245 1 1 18 TRP CD2 C -3.434 8.154 -1.086 1.00 . A A . 18 TRP CD2 1 1 1 246 1 1 18 TRP CE2 C -4.659 8.120 -1.764 1.00 . A A . 18 TRP CE2 1 1 1 247 1 1 18 TRP CE3 C -2.287 7.723 -1.745 1.00 . A A . 18 TRP CE3 1 1 1 248 1 1 18 TRP CG C -3.681 8.675 0.217 1.00 . A A . 18 TRP CG 1 1 1 249 1 1 18 TRP CH2 C -3.633 7.248 -3.695 1.00 . A A . 18 TRP CH2 1 1 1 250 1 1 18 TRP CZ2 C -4.772 7.668 -3.073 1.00 . A A . 18 TRP CZ2 1 1 1 251 1 1 18 TRP CZ3 C -2.396 7.270 -3.042 1.00 . A A . 18 TRP CZ3 1 1 1 252 1 1 18 TRP H H -3.386 5.931 2.209 1.00 . A A . 18 TRP H 1 1 1 253 1 1 18 TRP HA H -1.905 6.917 0.848 1.00 . A A . 18 TRP HA 1 1 1 254 1 1 18 TRP HB2 H -3.145 9.337 2.139 1.00 . A A . 18 TRP HB2 1 1 1 255 1 1 18 TRP HB3 H -1.876 9.485 0.917 1.00 . A A . 18 TRP HB3 1 1 1 256 1 1 18 TRP HD1 H -5.520 9.280 1.164 1.00 . A A . 18 TRP HD1 1 1 1 257 1 1 18 TRP HE1 H -6.572 8.674 -1.103 1.00 . A A . 18 TRP HE1 1 1 1 258 1 1 18 TRP HE3 H -1.329 7.724 -1.248 1.00 . A A . 18 TRP HE3 1 1 1 259 1 1 18 TRP HH2 H -3.676 6.880 -4.704 1.00 . A A . 18 TRP HH2 1 1 1 260 1 1 18 TRP HZ2 H -5.719 7.646 -3.592 1.00 . A A . 18 TRP HZ2 1 1 1 261 1 1 18 TRP HZ3 H -1.518 6.928 -3.570 1.00 . A A . 18 TRP HZ3 1 1 1 262 1 1 18 TRP N N -3.067 6.789 2.535 1.00 . A A . 18 TRP N 1 1 1 263 1 1 18 TRP NE1 N -5.616 8.585 -0.902 1.00 . A A . 18 TRP NE1 1 1 1 264 1 1 18 TRP O O 0.219 7.076 2.068 1.00 . A A . 18 TRP O 1 1 1 265 1 1 19 GLY C C 0.996 7.152 4.671 1.00 . A A . 19 GLY C 1 1 1 266 1 1 19 GLY CA C 0.440 8.522 4.333 1.00 . A A . 19 GLY CA 1 1 1 267 1 1 19 GLY H H -1.610 8.819 3.883 1.00 . A A . 19 GLY H 1 1 1 268 1 1 19 GLY HA2 H 1.164 9.067 3.738 1.00 . A A . 19 GLY HA2 1 1 1 269 1 1 19 GLY HA3 H 0.243 9.063 5.246 1.00 . A A . 19 GLY HA3 1 1 1 270 1 1 19 GLY N N -0.782 8.394 3.574 1.00 . A A . 19 GLY N 1 1 1 271 1 1 19 GLY O O 2.209 6.963 4.763 1.00 . A A . 19 GLY O 1 1 1 272 1 1 20 GLU C C 1.047 4.172 3.852 1.00 . A A . 20 GLU C 1 1 1 273 1 1 20 GLU CA C 0.460 4.808 5.109 1.00 . A A . 20 GLU CA 1 1 1 274 1 1 20 GLU CB C -0.764 4.021 5.597 1.00 . A A . 20 GLU CB 1 1 1 275 1 1 20 GLU CD C -0.931 3.102 7.950 1.00 . A A . 20 GLU CD 1 1 1 276 1 1 20 GLU CG C -1.125 4.305 7.048 1.00 . A A . 20 GLU CG 1 1 1 277 1 1 20 GLU H H -0.862 6.403 4.704 1.00 . A A . 20 GLU H 1 1 1 278 1 1 20 GLU HA H 1.211 4.821 5.883 1.00 . A A . 20 GLU HA 1 1 1 279 1 1 20 GLU HB2 H -1.617 4.277 4.981 1.00 . A A . 20 GLU HB2 1 1 1 280 1 1 20 GLU HB3 H -0.567 2.964 5.501 1.00 . A A . 20 GLU HB3 1 1 1 281 1 1 20 GLU HG2 H -0.499 5.107 7.409 1.00 . A A . 20 GLU HG2 1 1 1 282 1 1 20 GLU HG3 H -2.160 4.609 7.095 1.00 . A A . 20 GLU HG3 1 1 1 283 1 1 20 GLU N N 0.087 6.186 4.817 1.00 . A A . 20 GLU N 1 1 1 284 1 1 20 GLU O O 2.049 3.455 3.909 1.00 . A A . 20 GLU O 1 1 1 285 1 1 20 GLU OE1 O -1.527 2.041 7.662 1.00 . A A . 20 GLU OE1 1 1 1 286 1 1 20 GLU OE2 O -0.186 3.220 8.946 1.00 . A A . 20 GLU OE2 1 1 1 287 1 1 21 ALA C C 2.192 4.645 1.037 1.00 . A A . 21 ALA C 1 1 1 288 1 1 21 ALA CA C 0.893 3.968 1.426 1.00 . A A . 21 ALA CA 1 1 1 289 1 1 21 ALA CB C -0.147 4.246 0.363 1.00 . A A . 21 ALA CB 1 1 1 290 1 1 21 ALA H H -0.351 5.069 2.731 1.00 . A A . 21 ALA H 1 1 1 291 1 1 21 ALA HA H 1.043 2.899 1.500 1.00 . A A . 21 ALA HA 1 1 1 292 1 1 21 ALA HB1 H 0.205 5.041 -0.277 1.00 . A A . 21 ALA HB1 1 1 1 293 1 1 21 ALA HB2 H -1.070 4.547 0.837 1.00 . A A . 21 ALA HB2 1 1 1 294 1 1 21 ALA HB3 H -0.310 3.357 -0.223 1.00 . A A . 21 ALA HB3 1 1 1 295 1 1 21 ALA N N 0.430 4.473 2.711 1.00 . A A . 21 ALA N 1 1 1 296 1 1 21 ALA O O 3.129 4.011 0.554 1.00 . A A . 21 ALA O 1 1 1 297 1 1 22 PHE C C 4.610 6.183 1.699 1.00 . A A . 22 PHE C 1 1 1 298 1 1 22 PHE CA C 3.409 6.749 0.975 1.00 . A A . 22 PHE CA 1 1 1 299 1 1 22 PHE CB C 3.175 8.182 1.427 1.00 . A A . 22 PHE CB 1 1 1 300 1 1 22 PHE CD1 C 4.809 9.501 0.067 1.00 . A A . 22 PHE CD1 1 1 1 301 1 1 22 PHE CD2 C 5.108 9.419 2.423 1.00 . A A . 22 PHE CD2 1 1 1 302 1 1 22 PHE CE1 C 5.924 10.300 -0.051 1.00 . A A . 22 PHE CE1 1 1 1 303 1 1 22 PHE CE2 C 6.225 10.216 2.312 1.00 . A A . 22 PHE CE2 1 1 1 304 1 1 22 PHE CG C 4.388 9.054 1.303 1.00 . A A . 22 PHE CG 1 1 1 305 1 1 22 PHE CZ C 6.633 10.658 1.073 1.00 . A A . 22 PHE CZ 1 1 1 306 1 1 22 PHE H H 1.456 6.383 1.679 1.00 . A A . 22 PHE H 1 1 1 307 1 1 22 PHE HA H 3.581 6.725 -0.093 1.00 . A A . 22 PHE HA 1 1 1 308 1 1 22 PHE HB2 H 2.386 8.617 0.833 1.00 . A A . 22 PHE HB2 1 1 1 309 1 1 22 PHE HB3 H 2.876 8.169 2.467 1.00 . A A . 22 PHE HB3 1 1 1 310 1 1 22 PHE HD1 H 4.260 9.210 -0.814 1.00 . A A . 22 PHE HD1 1 1 1 311 1 1 22 PHE HD2 H 4.793 9.066 3.391 1.00 . A A . 22 PHE HD2 1 1 1 312 1 1 22 PHE HE1 H 6.244 10.643 -1.024 1.00 . A A . 22 PHE HE1 1 1 1 313 1 1 22 PHE HE2 H 6.781 10.494 3.195 1.00 . A A . 22 PHE HE2 1 1 1 314 1 1 22 PHE HZ H 7.510 11.284 0.984 1.00 . A A . 22 PHE HZ 1 1 1 315 1 1 22 PHE N N 2.237 5.948 1.277 1.00 . A A . 22 PHE N 1 1 1 316 1 1 22 PHE O O 5.726 6.193 1.187 1.00 . A A . 22 PHE O 1 1 1 317 1 1 23 SER C C 5.803 3.757 3.071 1.00 . A A . 23 SER C 1 1 1 318 1 1 23 SER CA C 5.415 5.087 3.702 1.00 . A A . 23 SER CA 1 1 1 319 1 1 23 SER CB C 4.952 4.887 5.145 1.00 . A A . 23 SER CB 1 1 1 320 1 1 23 SER H H 3.439 5.718 3.244 1.00 . A A . 23 SER H 1 1 1 321 1 1 23 SER HA H 6.276 5.748 3.682 1.00 . A A . 23 SER HA 1 1 1 322 1 1 23 SER HB2 H 5.813 4.774 5.786 1.00 . A A . 23 SER HB2 1 1 1 323 1 1 23 SER HB3 H 4.381 5.747 5.460 1.00 . A A . 23 SER HB3 1 1 1 324 1 1 23 SER HG H 4.700 2.953 5.341 1.00 . A A . 23 SER HG 1 1 1 325 1 1 23 SER N N 4.361 5.691 2.900 1.00 . A A . 23 SER N 1 1 1 326 1 1 23 SER O O 6.948 3.319 3.161 1.00 . A A . 23 SER O 1 1 1 327 1 1 23 SER OG O 4.141 3.731 5.267 1.00 . A A . 23 SER OG 1 1 1 328 1 1 24 ALA C C 5.876 2.095 0.477 1.00 . A A . 24 ALA C 1 1 1 329 1 1 24 ALA CA C 5.054 1.864 1.735 1.00 . A A . 24 ALA CA 1 1 1 330 1 1 24 ALA CB C 3.727 1.212 1.378 1.00 . A A . 24 ALA CB 1 1 1 331 1 1 24 ALA H H 3.941 3.544 2.367 1.00 . A A . 24 ALA H 1 1 1 332 1 1 24 ALA HA H 5.595 1.211 2.404 1.00 . A A . 24 ALA HA 1 1 1 333 1 1 24 ALA HB1 H 2.988 1.459 2.127 1.00 . A A . 24 ALA HB1 1 1 1 334 1 1 24 ALA HB2 H 3.851 0.140 1.333 1.00 . A A . 24 ALA HB2 1 1 1 335 1 1 24 ALA HB3 H 3.397 1.577 0.415 1.00 . A A . 24 ALA HB3 1 1 1 336 1 1 24 ALA N N 4.830 3.131 2.411 1.00 . A A . 24 ALA N 1 1 1 337 1 1 24 ALA O O 6.860 1.399 0.224 1.00 . A A . 24 ALA O 1 1 1 338 1 1 25 GLY C C 7.601 3.857 -1.263 1.00 . A A . 25 GLY C 1 1 1 339 1 1 25 GLY CA C 6.174 3.414 -1.527 1.00 . A A . 25 GLY CA 1 1 1 340 1 1 25 GLY H H 4.674 3.607 -0.043 1.00 . A A . 25 GLY H 1 1 1 341 1 1 25 GLY HA2 H 6.191 2.540 -2.163 1.00 . A A . 25 GLY HA2 1 1 1 342 1 1 25 GLY HA3 H 5.650 4.204 -2.039 1.00 . A A . 25 GLY HA3 1 1 1 343 1 1 25 GLY N N 5.465 3.088 -0.304 1.00 . A A . 25 GLY N 1 1 1 344 1 1 25 GLY O O 8.525 3.393 -1.924 1.00 . A A . 25 GLY O 1 1 1 345 1 1 26 VAL C C 10.053 4.116 0.436 1.00 . A A . 26 VAL C 1 1 1 346 1 1 26 VAL CA C 9.127 5.253 0.031 1.00 . A A . 26 VAL CA 1 1 1 347 1 1 26 VAL CB C 9.084 6.272 1.184 1.00 . A A . 26 VAL CB 1 1 1 348 1 1 26 VAL CG1 C 10.484 6.720 1.570 1.00 . A A . 26 VAL CG1 1 1 1 349 1 1 26 VAL CG2 C 8.244 7.457 0.795 1.00 . A A . 26 VAL CG2 1 1 1 350 1 1 26 VAL H H 7.006 5.115 0.195 1.00 . A A . 26 VAL H 1 1 1 351 1 1 26 VAL HA H 9.535 5.744 -0.845 1.00 . A A . 26 VAL HA 1 1 1 352 1 1 26 VAL HB H 8.626 5.800 2.043 1.00 . A A . 26 VAL HB 1 1 1 353 1 1 26 VAL HG11 H 10.991 5.917 2.082 1.00 . A A . 26 VAL HG11 1 1 1 354 1 1 26 VAL HG12 H 10.417 7.578 2.223 1.00 . A A . 26 VAL HG12 1 1 1 355 1 1 26 VAL HG13 H 11.033 6.985 0.679 1.00 . A A . 26 VAL HG13 1 1 1 356 1 1 26 VAL HG21 H 8.728 7.993 -0.010 1.00 . A A . 26 VAL HG21 1 1 1 357 1 1 26 VAL HG22 H 8.135 8.106 1.650 1.00 . A A . 26 VAL HG22 1 1 1 358 1 1 26 VAL HG23 H 7.277 7.106 0.469 1.00 . A A . 26 VAL HG23 1 1 1 359 1 1 26 VAL N N 7.786 4.762 -0.299 1.00 . A A . 26 VAL N 1 1 1 360 1 1 26 VAL O O 11.228 4.115 0.086 1.00 . A A . 26 VAL O 1 1 1 361 1 1 27 HIS C C 10.855 1.267 0.357 1.00 . A A . 27 HIS C 1 1 1 362 1 1 27 HIS CA C 10.349 2.013 1.584 1.00 . A A . 27 HIS CA 1 1 1 363 1 1 27 HIS CB C 9.549 1.075 2.489 1.00 . A A . 27 HIS CB 1 1 1 364 1 1 27 HIS CD2 C 8.627 1.167 4.906 1.00 . A A . 27 HIS CD2 1 1 1 365 1 1 27 HIS CE1 C 8.855 3.319 5.235 1.00 . A A . 27 HIS CE1 1 1 1 366 1 1 27 HIS CG C 9.156 1.703 3.782 1.00 . A A . 27 HIS CG 1 1 1 367 1 1 27 HIS H H 8.584 3.174 1.414 1.00 . A A . 27 HIS H 1 1 1 368 1 1 27 HIS HA H 11.197 2.402 2.135 1.00 . A A . 27 HIS HA 1 1 1 369 1 1 27 HIS HB2 H 8.647 0.775 1.983 1.00 . A A . 27 HIS HB2 1 1 1 370 1 1 27 HIS HB3 H 10.143 0.203 2.713 1.00 . A A . 27 HIS HB3 1 1 1 371 1 1 27 HIS HD1 H 9.646 3.711 3.396 1.00 . A A . 27 HIS HD1 1 1 1 372 1 1 27 HIS HD2 H 8.388 0.125 5.071 1.00 . A A . 27 HIS HD2 1 1 1 373 1 1 27 HIS HE1 H 8.829 4.292 5.683 1.00 . A A . 27 HIS HE1 1 1 1 374 1 1 27 HIS HE2 H 8.184 2.096 6.734 1.00 . A A . 27 HIS HE2 1 1 1 375 1 1 27 HIS N N 9.530 3.140 1.163 1.00 . A A . 27 HIS N 1 1 1 376 1 1 27 HIS ND1 N 9.286 3.049 4.022 1.00 . A A . 27 HIS ND1 1 1 1 377 1 1 27 HIS NE2 N 8.448 2.196 5.796 1.00 . A A . 27 HIS NE2 1 1 1 378 1 1 27 HIS O O 12.017 0.874 0.285 1.00 . A A . 27 HIS O 1 1 1 379 1 1 28 ARG C C 11.163 1.307 -2.759 1.00 . A A . 28 ARG C 1 1 1 380 1 1 28 ARG CA C 10.291 0.421 -1.859 1.00 . A A . 28 ARG CA 1 1 1 381 1 1 28 ARG CB C 8.994 0.044 -2.583 1.00 . A A . 28 ARG CB 1 1 1 382 1 1 28 ARG CD C 9.965 -1.738 -4.060 1.00 . A A . 28 ARG CD 1 1 1 383 1 1 28 ARG CG C 9.193 -0.431 -4.012 1.00 . A A . 28 ARG CG 1 1 1 384 1 1 28 ARG CZ C 12.268 -2.502 -4.492 1.00 . A A . 28 ARG CZ 1 1 1 385 1 1 28 ARG H H 9.059 1.447 -0.487 1.00 . A A . 28 ARG H 1 1 1 386 1 1 28 ARG HA H 10.836 -0.480 -1.620 1.00 . A A . 28 ARG HA 1 1 1 387 1 1 28 ARG HB2 H 8.509 -0.748 -2.033 1.00 . A A . 28 ARG HB2 1 1 1 388 1 1 28 ARG HB3 H 8.345 0.905 -2.602 1.00 . A A . 28 ARG HB3 1 1 1 389 1 1 28 ARG HD2 H 9.878 -2.230 -3.103 1.00 . A A . 28 ARG HD2 1 1 1 390 1 1 28 ARG HD3 H 9.538 -2.366 -4.829 1.00 . A A . 28 ARG HD3 1 1 1 391 1 1 28 ARG HE H 11.678 -0.594 -4.460 1.00 . A A . 28 ARG HE 1 1 1 392 1 1 28 ARG HG2 H 8.225 -0.575 -4.469 1.00 . A A . 28 ARG HG2 1 1 1 393 1 1 28 ARG HG3 H 9.741 0.324 -4.556 1.00 . A A . 28 ARG HG3 1 1 1 394 1 1 28 ARG HH11 H 10.949 -3.989 -4.124 1.00 . A A . 28 ARG HH11 1 1 1 395 1 1 28 ARG HH12 H 12.572 -4.499 -4.446 1.00 . A A . 28 ARG HH12 1 1 1 396 1 1 28 ARG HH21 H 13.815 -1.263 -4.888 1.00 . A A . 28 ARG HH21 1 1 1 397 1 1 28 ARG HH22 H 14.199 -2.952 -4.880 1.00 . A A . 28 ARG HH22 1 1 1 398 1 1 28 ARG N N 9.965 1.097 -0.611 1.00 . A A . 28 ARG N 1 1 1 399 1 1 28 ARG NE N 11.378 -1.520 -4.355 1.00 . A A . 28 ARG NE 1 1 1 400 1 1 28 ARG NH1 N 11.899 -3.767 -4.342 1.00 . A A . 28 ARG NH1 1 1 1 401 1 1 28 ARG NH2 N 13.531 -2.215 -4.776 1.00 . A A . 28 ARG NH2 1 1 1 402 1 1 28 ARG O O 12.110 0.833 -3.386 1.00 . A A . 28 ARG O 1 1 1 403 1 1 29 LEU C C 12.879 3.940 -3.080 1.00 . A A . 29 LEU C 1 1 1 404 1 1 29 LEU CA C 11.523 3.555 -3.665 1.00 . A A . 29 LEU CA 1 1 1 405 1 1 29 LEU CB C 10.663 4.810 -3.849 1.00 . A A . 29 LEU CB 1 1 1 406 1 1 29 LEU CD1 C 12.045 5.544 -5.810 1.00 . A A . 29 LEU CD1 1 1 1 407 1 1 29 LEU CD2 C 10.369 7.108 -4.809 1.00 . A A . 29 LEU CD2 1 1 1 408 1 1 29 LEU CG C 11.362 5.991 -4.525 1.00 . A A . 29 LEU CG 1 1 1 409 1 1 29 LEU H H 10.039 2.896 -2.313 1.00 . A A . 29 LEU H 1 1 1 410 1 1 29 LEU HA H 11.678 3.102 -4.629 1.00 . A A . 29 LEU HA 1 1 1 411 1 1 29 LEU HB2 H 9.800 4.543 -4.440 1.00 . A A . 29 LEU HB2 1 1 1 412 1 1 29 LEU HB3 H 10.324 5.131 -2.875 1.00 . A A . 29 LEU HB3 1 1 1 413 1 1 29 LEU HD11 H 12.754 4.762 -5.587 1.00 . A A . 29 LEU HD11 1 1 1 414 1 1 29 LEU HD12 H 12.561 6.383 -6.254 1.00 . A A . 29 LEU HD12 1 1 1 415 1 1 29 LEU HD13 H 11.303 5.172 -6.500 1.00 . A A . 29 LEU HD13 1 1 1 416 1 1 29 LEU HD21 H 10.000 7.014 -5.820 1.00 . A A . 29 LEU HD21 1 1 1 417 1 1 29 LEU HD22 H 10.858 8.064 -4.693 1.00 . A A . 29 LEU HD22 1 1 1 418 1 1 29 LEU HD23 H 9.544 7.040 -4.117 1.00 . A A . 29 LEU HD23 1 1 1 419 1 1 29 LEU HG H 12.121 6.378 -3.861 1.00 . A A . 29 LEU HG 1 1 1 420 1 1 29 LEU N N 10.810 2.589 -2.830 1.00 . A A . 29 LEU N 1 1 1 421 1 1 29 LEU O O 13.899 3.915 -3.769 1.00 . A A . 29 LEU O 1 1 1 422 1 1 30 ALA C C 15.046 3.617 -0.832 1.00 . A A . 30 ALA C 1 1 1 423 1 1 30 ALA CA C 14.072 4.761 -1.118 1.00 . A A . 30 ALA CA 1 1 1 424 1 1 30 ALA CB C 13.677 5.450 0.176 1.00 . A A . 30 ALA CB 1 1 1 425 1 1 30 ALA H H 12.015 4.342 -1.336 1.00 . A A . 30 ALA H 1 1 1 426 1 1 30 ALA HA H 14.566 5.491 -1.741 1.00 . A A . 30 ALA HA 1 1 1 427 1 1 30 ALA HB1 H 12.653 5.787 0.102 1.00 . A A . 30 ALA HB1 1 1 1 428 1 1 30 ALA HB2 H 14.325 6.297 0.348 1.00 . A A . 30 ALA HB2 1 1 1 429 1 1 30 ALA HB3 H 13.767 4.753 0.996 1.00 . A A . 30 ALA HB3 1 1 1 430 1 1 30 ALA N N 12.867 4.325 -1.814 1.00 . A A . 30 ALA N 1 1 1 431 1 1 30 ALA O O 16.120 3.845 -0.273 1.00 . A A . 30 ALA O 1 1 1 432 1 1 31 ASN C C 16.629 1.156 -2.070 1.00 . A A . 31 ASN C 1 1 1 433 1 1 31 ASN CA C 15.561 1.251 -0.985 1.00 . A A . 31 ASN CA 1 1 1 434 1 1 31 ASN CB C 14.748 -0.046 -0.934 1.00 . A A . 31 ASN CB 1 1 1 435 1 1 31 ASN CG C 15.619 -1.265 -0.694 1.00 . A A . 31 ASN CG 1 1 1 436 1 1 31 ASN H H 13.825 2.261 -1.657 1.00 . A A . 31 ASN H 1 1 1 437 1 1 31 ASN HA H 16.049 1.394 -0.032 1.00 . A A . 31 ASN HA 1 1 1 438 1 1 31 ASN HB2 H 14.029 0.018 -0.132 1.00 . A A . 31 ASN HB2 1 1 1 439 1 1 31 ASN HB3 H 14.227 -0.176 -1.871 1.00 . A A . 31 ASN HB3 1 1 1 440 1 1 31 ASN HD21 H 14.139 -2.466 -1.258 1.00 . A A . 31 ASN HD21 1 1 1 441 1 1 31 ASN HD22 H 15.606 -3.251 -0.793 1.00 . A A . 31 ASN HD22 1 1 1 442 1 1 31 ASN N N 14.686 2.396 -1.214 1.00 . A A . 31 ASN N 1 1 1 443 1 1 31 ASN ND2 N 15.065 -2.447 -0.940 1.00 . A A . 31 ASN ND2 1 1 1 444 1 1 31 ASN O O 17.763 0.758 -1.806 1.00 . A A . 31 ASN O 1 1 1 445 1 1 31 ASN OD1 O 16.775 -1.145 -0.289 1.00 . A A . 31 ASN OD1 1 1 1 446 1 1 32 GLY C C 18.092 2.685 -4.466 1.00 . A A . 32 GLY C 1 1 1 447 1 1 32 GLY CA C 17.193 1.465 -4.403 1.00 . A A . 32 GLY CA 1 1 1 448 1 1 32 GLY H H 15.338 1.825 -3.446 1.00 . A A . 32 GLY H 1 1 1 449 1 1 32 GLY HA2 H 17.808 0.583 -4.298 1.00 . A A . 32 GLY HA2 1 1 1 450 1 1 32 GLY HA3 H 16.636 1.394 -5.325 1.00 . A A . 32 GLY HA3 1 1 1 451 1 1 32 GLY N N 16.256 1.520 -3.294 1.00 . A A . 32 GLY N 1 1 1 452 1 1 32 GLY O O 18.097 3.410 -5.462 1.00 . A A . 32 GLY O 1 1 1 453 1 1 33 GLY C C 21.187 3.686 -3.695 1.00 . A A . 33 GLY C 1 1 1 454 1 1 33 GLY CA C 19.754 4.055 -3.359 1.00 . A A . 33 GLY CA 1 1 1 455 1 1 33 GLY H H 18.810 2.299 -2.639 1.00 . A A . 33 GLY H 1 1 1 456 1 1 33 GLY HA2 H 19.410 4.801 -4.061 1.00 . A A . 33 GLY HA2 1 1 1 457 1 1 33 GLY HA3 H 19.729 4.476 -2.365 1.00 . A A . 33 GLY HA3 1 1 1 458 1 1 33 GLY N N 18.856 2.912 -3.402 1.00 . A A . 33 GLY N 1 1 1 459 1 1 33 GLY O O 22.025 3.561 -2.803 1.00 . A A . 33 GLY O 1 1 1 460 1 1 34 ASN C C 23.229 1.783 -4.989 1.00 . A A . 34 ASN C 1 1 1 461 1 1 34 ASN CA C 22.812 3.181 -5.447 1.00 . A A . 34 ASN CA 1 1 1 462 1 1 34 ASN CB C 23.827 4.220 -4.965 1.00 . A A . 34 ASN CB 1 1 1 463 1 1 34 ASN CG C 23.391 5.639 -5.274 1.00 . A A . 34 ASN CG 1 1 1 464 1 1 34 ASN H H 20.759 3.648 -5.646 1.00 . A A . 34 ASN H 1 1 1 465 1 1 34 ASN HA H 22.794 3.192 -6.527 1.00 . A A . 34 ASN HA 1 1 1 466 1 1 34 ASN HB2 H 23.956 4.128 -3.896 1.00 . A A . 34 ASN HB2 1 1 1 467 1 1 34 ASN HB3 H 24.772 4.041 -5.453 1.00 . A A . 34 ASN HB3 1 1 1 468 1 1 34 ASN HD21 H 24.860 6.363 -4.146 1.00 . A A . 34 ASN HD21 1 1 1 469 1 1 34 ASN HD22 H 23.845 7.540 -4.900 1.00 . A A . 34 ASN HD22 1 1 1 470 1 1 34 ASN N N 21.470 3.525 -4.985 1.00 . A A . 34 ASN N 1 1 1 471 1 1 34 ASN ND2 N 24.103 6.612 -4.718 1.00 . A A . 34 ASN ND2 1 1 1 472 1 1 34 ASN O O 23.503 0.912 -5.812 1.00 . A A . 34 ASN O 1 1 1 473 1 1 34 ASN OD1 O 22.425 5.859 -6.006 1.00 . A A . 34 ASN OD1 1 1 1 474 1 1 35 GLY C C 23.015 -0.038 -1.826 1.00 . A A . 35 GLY C 1 1 1 475 1 1 35 GLY CA C 23.684 0.283 -3.149 1.00 . A A . 35 GLY CA 1 1 1 476 1 1 35 GLY H H 23.072 2.309 -3.062 1.00 . A A . 35 GLY H 1 1 1 477 1 1 35 GLY HA2 H 23.418 -0.483 -3.866 1.00 . A A . 35 GLY HA2 1 1 1 478 1 1 35 GLY HA3 H 24.756 0.274 -3.011 1.00 . A A . 35 GLY HA3 1 1 1 479 1 1 35 GLY N N 23.290 1.577 -3.676 1.00 . A A . 35 GLY N 1 1 1 480 1 1 35 GLY O O 21.868 0.342 -1.595 1.00 . A A . 35 GLY O 1 1 1 481 1 1 36 PHE C C 21.889 -1.878 0.210 1.00 . A A . 36 PHE C 1 1 1 482 1 1 36 PHE CA C 23.204 -1.116 0.352 1.00 . A A . 36 PHE CA 1 1 1 483 1 1 36 PHE CB C 23.000 0.134 1.210 1.00 . A A . 36 PHE CB 1 1 1 484 1 1 36 PHE CD1 C 25.265 0.804 2.054 1.00 . A A . 36 PHE CD1 1 1 1 485 1 1 36 PHE CD2 C 23.707 -0.126 3.603 1.00 . A A . 36 PHE CD2 1 1 1 486 1 1 36 PHE CE1 C 26.198 0.933 3.066 1.00 . A A . 36 PHE CE1 1 1 1 487 1 1 36 PHE CE2 C 24.636 -0.001 4.618 1.00 . A A . 36 PHE CE2 1 1 1 488 1 1 36 PHE CG C 24.010 0.275 2.311 1.00 . A A . 36 PHE CG 1 1 1 489 1 1 36 PHE CZ C 25.882 0.530 4.349 1.00 . A A . 36 PHE CZ 1 1 1 490 1 1 36 PHE H H 24.641 -1.018 -1.198 1.00 . A A . 36 PHE H 1 1 1 491 1 1 36 PHE HA H 23.929 -1.758 0.832 1.00 . A A . 36 PHE HA 1 1 1 492 1 1 36 PHE HB2 H 23.071 1.009 0.582 1.00 . A A . 36 PHE HB2 1 1 1 493 1 1 36 PHE HB3 H 22.019 0.098 1.660 1.00 . A A . 36 PHE HB3 1 1 1 494 1 1 36 PHE HD1 H 25.511 1.119 1.052 1.00 . A A . 36 PHE HD1 1 1 1 495 1 1 36 PHE HD2 H 22.732 -0.542 3.814 1.00 . A A . 36 PHE HD2 1 1 1 496 1 1 36 PHE HE1 H 27.172 1.348 2.853 1.00 . A A . 36 PHE HE1 1 1 1 497 1 1 36 PHE HE2 H 24.387 -0.316 5.621 1.00 . A A . 36 PHE HE2 1 1 1 498 1 1 36 PHE HZ H 26.611 0.629 5.141 1.00 . A A . 36 PHE HZ 1 1 1 499 1 1 36 PHE N N 23.734 -0.744 -0.955 1.00 . A A . 36 PHE N 1 1 1 500 1 1 36 PHE O O 20.810 -1.306 0.366 1.00 . A A . 36 PHE O 1 1 1 501 1 1 37 TRP C C 20.210 -4.377 1.111 1.00 . A A . 37 TRP C 1 1 1 502 1 1 37 TRP CA C 20.805 -4.010 -0.244 1.00 . A A . 37 TRP CA 1 1 1 503 1 1 37 TRP CB C 21.155 -5.281 -1.021 1.00 . A A . 37 TRP CB 1 1 1 504 1 1 37 TRP CD1 C 19.337 -5.461 -2.813 1.00 . A A . 37 TRP CD1 1 1 1 505 1 1 37 TRP CD2 C 19.274 -7.087 -1.275 1.00 . A A . 37 TRP CD2 1 1 1 506 1 1 37 TRP CE2 C 18.228 -7.298 -2.193 1.00 . A A . 37 TRP CE2 1 1 1 507 1 1 37 TRP CE3 C 19.434 -7.987 -0.218 1.00 . A A . 37 TRP CE3 1 1 1 508 1 1 37 TRP CG C 19.971 -5.907 -1.690 1.00 . A A . 37 TRP CG 1 1 1 509 1 1 37 TRP CH2 C 17.526 -9.235 -1.040 1.00 . A A . 37 TRP CH2 1 1 1 510 1 1 37 TRP CZ2 C 17.346 -8.370 -2.085 1.00 . A A . 37 TRP CZ2 1 1 1 511 1 1 37 TRP CZ3 C 18.558 -9.051 -0.111 1.00 . A A . 37 TRP CZ3 1 1 1 512 1 1 37 TRP H H 22.875 -3.570 -0.193 1.00 . A A . 37 TRP H 1 1 1 513 1 1 37 TRP HA H 20.072 -3.449 -0.805 1.00 . A A . 37 TRP HA 1 1 1 514 1 1 37 TRP HB2 H 21.882 -5.041 -1.783 1.00 . A A . 37 TRP HB2 1 1 1 515 1 1 37 TRP HB3 H 21.578 -6.006 -0.341 1.00 . A A . 37 TRP HB3 1 1 1 516 1 1 37 TRP HD1 H 19.627 -4.581 -3.367 1.00 . A A . 37 TRP HD1 1 1 1 517 1 1 37 TRP HE1 H 17.679 -6.181 -3.883 1.00 . A A . 37 TRP HE1 1 1 1 518 1 1 37 TRP HE3 H 20.224 -7.862 0.508 1.00 . A A . 37 TRP HE3 1 1 1 519 1 1 37 TRP HH2 H 16.865 -10.080 -0.917 1.00 . A A . 37 TRP HH2 1 1 1 520 1 1 37 TRP HZ2 H 16.546 -8.526 -2.792 1.00 . A A . 37 TRP HZ2 1 1 1 521 1 1 37 TRP HZ3 H 18.666 -9.757 0.700 1.00 . A A . 37 TRP HZ3 1 1 1 522 1 1 37 TRP N N 21.987 -3.170 -0.083 1.00 . A A . 37 TRP N 1 1 1 523 1 1 37 TRP NE1 N 18.287 -6.291 -3.121 1.00 . A A . 37 TRP NE1 1 1 1 524 1 1 37 TRP O O 19.051 -3.992 1.372 1.00 . A A . 37 TRP O 1 1 1 525 1 1 37 TRP OXT O 20.907 -5.050 1.900 1.00 . A A . 37 TRP OXT 1 1 2 526 1 1 1 LYS C C -5.736 -4.676 4.703 1.00 . A A . 1 LYS C 1 1 2 527 1 1 1 LYS CA C -6.611 -5.558 5.585 1.00 . A A . 1 LYS CA 1 1 2 528 1 1 1 LYS CB C -7.408 -6.536 4.706 1.00 . A A . 1 LYS CB 1 1 2 529 1 1 1 LYS CD C -7.145 -8.160 2.788 1.00 . A A . 1 LYS CD 1 1 2 530 1 1 1 LYS CE C -5.975 -9.132 2.846 1.00 . A A . 1 LYS CE 1 1 2 531 1 1 1 LYS CG C -6.764 -6.800 3.349 1.00 . A A . 1 LYS CG 1 1 2 532 1 1 1 LYS HA H -5.982 -6.118 6.263 1.00 . A A . 1 LYS HA 1 1 2 533 1 1 1 LYS HB2 H -7.501 -7.477 5.225 1.00 . A A . 1 LYS HB2 1 1 2 534 1 1 1 LYS HB3 H -8.394 -6.127 4.537 1.00 . A A . 1 LYS HB3 1 1 2 535 1 1 1 LYS HD2 H -7.966 -8.564 3.364 1.00 . A A . 1 LYS HD2 1 1 2 536 1 1 1 LYS HD3 H -7.449 -8.040 1.758 1.00 . A A . 1 LYS HD3 1 1 2 537 1 1 1 LYS HE2 H -5.599 -9.161 3.857 1.00 . A A . 1 LYS HE2 1 1 2 538 1 1 1 LYS HE3 H -6.325 -10.113 2.563 1.00 . A A . 1 LYS HE3 1 1 2 539 1 1 1 LYS HG2 H -7.080 -6.032 2.657 1.00 . A A . 1 LYS HG2 1 1 2 540 1 1 1 LYS HG3 H -5.691 -6.756 3.462 1.00 . A A . 1 LYS HG3 1 1 2 541 1 1 1 LYS HZ1 H -5.161 -8.856 0.942 1.00 . A A . 1 LYS HZ1 1 1 2 542 1 1 1 LYS HZ2 H -4.027 -9.308 2.113 1.00 . A A . 1 LYS HZ2 1 1 2 543 1 1 1 LYS HZ3 H -4.629 -7.727 2.084 1.00 . A A . 1 LYS HZ3 1 1 2 544 1 1 1 LYS N N -7.570 -4.742 6.383 1.00 . A A . 1 LYS N 1 1 2 545 1 1 1 LYS NZ N -4.871 -8.727 1.932 1.00 . A A . 1 LYS NZ 1 1 2 546 1 1 1 LYS O O -6.230 -4.043 3.777 1.00 . A A . 1 LYS O 1 1 2 547 1 1 2 TYR C C -3.165 -4.528 2.895 1.00 . A A . 2 TYR C 1 1 2 548 1 1 2 TYR CA C -3.524 -3.845 4.208 1.00 . A A . 2 TYR CA 1 1 2 549 1 1 2 TYR CB C -2.254 -3.622 4.996 1.00 . A A . 2 TYR CB 1 1 2 550 1 1 2 TYR CD1 C -2.207 -1.205 5.457 1.00 . A A . 2 TYR CD1 1 1 2 551 1 1 2 TYR CD2 C -0.692 -2.043 3.848 1.00 . A A . 2 TYR CD2 1 1 2 552 1 1 2 TYR CE1 C -1.721 0.066 5.264 1.00 . A A . 2 TYR CE1 1 1 2 553 1 1 2 TYR CE2 C -0.201 -0.781 3.638 1.00 . A A . 2 TYR CE2 1 1 2 554 1 1 2 TYR CG C -1.699 -2.266 4.761 1.00 . A A . 2 TYR CG 1 1 2 555 1 1 2 TYR CZ C -0.716 0.275 4.349 1.00 . A A . 2 TYR CZ 1 1 2 556 1 1 2 TYR H H -4.091 -5.153 5.736 1.00 . A A . 2 TYR H 1 1 2 557 1 1 2 TYR HA H -3.981 -2.883 4.014 1.00 . A A . 2 TYR HA 1 1 2 558 1 1 2 TYR HB2 H -2.470 -3.718 6.051 1.00 . A A . 2 TYR HB2 1 1 2 559 1 1 2 TYR HB3 H -1.510 -4.349 4.706 1.00 . A A . 2 TYR HB3 1 1 2 560 1 1 2 TYR HD1 H -3.007 -1.392 6.159 1.00 . A A . 2 TYR HD1 1 1 2 561 1 1 2 TYR HD2 H -0.296 -2.873 3.291 1.00 . A A . 2 TYR HD2 1 1 2 562 1 1 2 TYR HE1 H -2.134 0.884 5.821 1.00 . A A . 2 TYR HE1 1 1 2 563 1 1 2 TYR HE2 H 0.572 -0.624 2.913 1.00 . A A . 2 TYR HE2 1 1 2 564 1 1 2 TYR HH H 0.586 1.644 4.679 1.00 . A A . 2 TYR HH 1 1 2 565 1 1 2 TYR N N -4.440 -4.641 4.984 1.00 . A A . 2 TYR N 1 1 2 566 1 1 2 TYR O O -2.835 -5.713 2.873 1.00 . A A . 2 TYR O 1 1 2 567 1 1 2 TYR OH O -0.212 1.538 4.156 1.00 . A A . 2 TYR OH 1 1 2 568 1 1 3 TYR C C -1.481 -3.835 0.075 1.00 . A A . 3 TYR C 1 1 2 569 1 1 3 TYR CA C -2.872 -4.297 0.488 1.00 . A A . 3 TYR CA 1 1 2 570 1 1 3 TYR CB C -3.913 -3.844 -0.538 1.00 . A A . 3 TYR CB 1 1 2 571 1 1 3 TYR CD1 C -4.881 -5.993 -1.439 1.00 . A A . 3 TYR CD1 1 1 2 572 1 1 3 TYR CD2 C -6.268 -4.614 -0.076 1.00 . A A . 3 TYR CD2 1 1 2 573 1 1 3 TYR CE1 C -5.905 -6.912 -1.559 1.00 . A A . 3 TYR CE1 1 1 2 574 1 1 3 TYR CE2 C -7.299 -5.526 -0.196 1.00 . A A . 3 TYR CE2 1 1 2 575 1 1 3 TYR CG C -5.045 -4.831 -0.696 1.00 . A A . 3 TYR CG 1 1 2 576 1 1 3 TYR CZ C -7.112 -6.673 -0.937 1.00 . A A . 3 TYR CZ 1 1 2 577 1 1 3 TYR H H -3.464 -2.822 1.896 1.00 . A A . 3 TYR H 1 1 2 578 1 1 3 TYR HA H -2.881 -5.380 0.546 1.00 . A A . 3 TYR HA 1 1 2 579 1 1 3 TYR HB2 H -4.334 -2.905 -0.212 1.00 . A A . 3 TYR HB2 1 1 2 580 1 1 3 TYR HB3 H -3.441 -3.715 -1.502 1.00 . A A . 3 TYR HB3 1 1 2 581 1 1 3 TYR HD1 H -3.935 -6.177 -1.926 1.00 . A A . 3 TYR HD1 1 1 2 582 1 1 3 TYR HD2 H -6.408 -3.716 0.503 1.00 . A A . 3 TYR HD2 1 1 2 583 1 1 3 TYR HE1 H -5.758 -7.811 -2.140 1.00 . A A . 3 TYR HE1 1 1 2 584 1 1 3 TYR HE2 H -8.244 -5.338 0.291 1.00 . A A . 3 TYR HE2 1 1 2 585 1 1 3 TYR HH H -8.492 -7.557 -1.947 1.00 . A A . 3 TYR HH 1 1 2 586 1 1 3 TYR N N -3.210 -3.768 1.808 1.00 . A A . 3 TYR N 1 1 2 587 1 1 3 TYR O O -1.257 -3.448 -1.070 1.00 . A A . 3 TYR O 1 1 2 588 1 1 3 TYR OH O -8.136 -7.587 -1.055 1.00 . A A . 3 TYR OH 1 1 2 589 1 1 4 GLY C C 0.919 -2.206 -0.110 1.00 . A A . 4 GLY C 1 1 2 590 1 1 4 GLY CA C 0.815 -3.430 0.787 1.00 . A A . 4 GLY CA 1 1 2 591 1 1 4 GLY H H -0.811 -4.152 1.935 1.00 . A A . 4 GLY H 1 1 2 592 1 1 4 GLY HA2 H 1.278 -3.202 1.734 1.00 . A A . 4 GLY HA2 1 1 2 593 1 1 4 GLY HA3 H 1.352 -4.253 0.326 1.00 . A A . 4 GLY HA3 1 1 2 594 1 1 4 GLY N N -0.556 -3.852 1.037 1.00 . A A . 4 GLY N 1 1 2 595 1 1 4 GLY O O 1.933 -2.005 -0.777 1.00 . A A . 4 GLY O 1 1 2 596 1 1 5 ASN C C -1.015 0.874 -0.264 1.00 . A A . 5 ASN C 1 1 2 597 1 1 5 ASN CA C -0.176 -0.192 -0.950 1.00 . A A . 5 ASN CA 1 1 2 598 1 1 5 ASN CB C -0.764 -0.508 -2.327 1.00 . A A . 5 ASN CB 1 1 2 599 1 1 5 ASN CG C 0.304 -0.758 -3.371 1.00 . A A . 5 ASN CG 1 1 2 600 1 1 5 ASN H H -0.915 -1.616 0.421 1.00 . A A . 5 ASN H 1 1 2 601 1 1 5 ASN HA H 0.835 0.173 -1.068 1.00 . A A . 5 ASN HA 1 1 2 602 1 1 5 ASN HB2 H -1.380 -1.391 -2.254 1.00 . A A . 5 ASN HB2 1 1 2 603 1 1 5 ASN HB3 H -1.371 0.322 -2.653 1.00 . A A . 5 ASN HB3 1 1 2 604 1 1 5 ASN HD21 H -0.892 -0.047 -4.790 1.00 . A A . 5 ASN HD21 1 1 2 605 1 1 5 ASN HD22 H 0.664 -0.579 -5.316 1.00 . A A . 5 ASN HD22 1 1 2 606 1 1 5 ASN N N -0.137 -1.397 -0.131 1.00 . A A . 5 ASN N 1 1 2 607 1 1 5 ASN ND2 N -0.006 -0.428 -4.619 1.00 . A A . 5 ASN ND2 1 1 2 608 1 1 5 ASN O O -1.800 1.570 -0.908 1.00 . A A . 5 ASN O 1 1 2 609 1 1 5 ASN OD1 O 1.392 -1.240 -3.060 1.00 . A A . 5 ASN OD1 1 1 2 610 1 1 6 GLY C C -3.148 1.748 1.552 1.00 . A A . 6 GLY C 1 1 2 611 1 1 6 GLY CA C -1.670 1.946 1.782 1.00 . A A . 6 GLY CA 1 1 2 612 1 1 6 GLY H H -0.266 0.379 1.526 1.00 . A A . 6 GLY H 1 1 2 613 1 1 6 GLY HA2 H -1.465 1.859 2.829 1.00 . A A . 6 GLY HA2 1 1 2 614 1 1 6 GLY HA3 H -1.401 2.931 1.455 1.00 . A A . 6 GLY HA3 1 1 2 615 1 1 6 GLY N N -0.880 0.978 1.052 1.00 . A A . 6 GLY N 1 1 2 616 1 1 6 GLY O O -3.934 2.673 1.718 1.00 . A A . 6 GLY O 1 1 2 617 1 1 7 VAL C C -5.443 -0.797 1.903 1.00 . A A . 7 VAL C 1 1 2 618 1 1 7 VAL CA C -4.934 0.226 0.910 1.00 . A A . 7 VAL CA 1 1 2 619 1 1 7 VAL CB C -5.200 -0.309 -0.508 1.00 . A A . 7 VAL CB 1 1 2 620 1 1 7 VAL CG1 C -6.585 -0.917 -0.564 1.00 . A A . 7 VAL CG1 1 1 2 621 1 1 7 VAL CG2 C -5.090 0.798 -1.531 1.00 . A A . 7 VAL CG2 1 1 2 622 1 1 7 VAL H H -2.847 -0.165 1.046 1.00 . A A . 7 VAL H 1 1 2 623 1 1 7 VAL HA H -5.505 1.135 1.036 1.00 . A A . 7 VAL HA 1 1 2 624 1 1 7 VAL HB H -4.473 -1.071 -0.739 1.00 . A A . 7 VAL HB 1 1 2 625 1 1 7 VAL HG11 H -6.570 -1.894 -0.103 1.00 . A A . 7 VAL HG11 1 1 2 626 1 1 7 VAL HG12 H -6.904 -1.002 -1.590 1.00 . A A . 7 VAL HG12 1 1 2 627 1 1 7 VAL HG13 H -7.263 -0.274 -0.023 1.00 . A A . 7 VAL HG13 1 1 2 628 1 1 7 VAL HG21 H -6.082 1.168 -1.752 1.00 . A A . 7 VAL HG21 1 1 2 629 1 1 7 VAL HG22 H -4.636 0.412 -2.432 1.00 . A A . 7 VAL HG22 1 1 2 630 1 1 7 VAL HG23 H -4.488 1.596 -1.133 1.00 . A A . 7 VAL HG23 1 1 2 631 1 1 7 VAL N N -3.527 0.535 1.160 1.00 . A A . 7 VAL N 1 1 2 632 1 1 7 VAL O O -5.198 -1.995 1.760 1.00 . A A . 7 VAL O 1 1 2 633 1 1 8 HIS C C -8.224 -1.257 3.778 1.00 . A A . 8 HIS C 1 1 2 634 1 1 8 HIS CA C -6.717 -1.200 3.904 1.00 . A A . 8 HIS CA 1 1 2 635 1 1 8 HIS CB C -6.326 -0.756 5.317 1.00 . A A . 8 HIS CB 1 1 2 636 1 1 8 HIS CD2 C -4.427 0.812 4.533 1.00 . A A . 8 HIS CD2 1 1 2 637 1 1 8 HIS CE1 C -4.622 2.350 6.081 1.00 . A A . 8 HIS CE1 1 1 2 638 1 1 8 HIS CG C -5.439 0.443 5.350 1.00 . A A . 8 HIS CG 1 1 2 639 1 1 8 HIS H H -6.334 0.641 2.953 1.00 . A A . 8 HIS H 1 1 2 640 1 1 8 HIS HA H -6.322 -2.180 3.723 1.00 . A A . 8 HIS HA 1 1 2 641 1 1 8 HIS HB2 H -7.219 -0.520 5.874 1.00 . A A . 8 HIS HB2 1 1 2 642 1 1 8 HIS HB3 H -5.806 -1.567 5.808 1.00 . A A . 8 HIS HB3 1 1 2 643 1 1 8 HIS HD1 H -6.187 1.447 7.043 1.00 . A A . 8 HIS HD1 1 1 2 644 1 1 8 HIS HD2 H -4.073 0.265 3.663 1.00 . A A . 8 HIS HD2 1 1 2 645 1 1 8 HIS HE1 H -4.464 3.239 6.669 1.00 . A A . 8 HIS HE1 1 1 2 646 1 1 8 HIS HE2 H -3.221 2.529 4.597 1.00 . A A . 8 HIS HE2 1 1 2 647 1 1 8 HIS N N -6.164 -0.321 2.900 1.00 . A A . 8 HIS N 1 1 2 648 1 1 8 HIS ND1 N -5.537 1.426 6.310 1.00 . A A . 8 HIS ND1 1 1 2 649 1 1 8 HIS NE2 N -3.936 2.000 5.009 1.00 . A A . 8 HIS NE2 1 1 2 650 1 1 8 HIS O O -8.842 -0.385 3.169 1.00 . A A . 8 HIS O 1 1 2 651 1 1 9 CYS C C -10.794 -2.555 5.720 1.00 . A A . 9 CYS C 1 1 2 652 1 1 9 CYS CA C -10.246 -2.438 4.312 1.00 . A A . 9 CYS CA 1 1 2 653 1 1 9 CYS CB C -10.642 -3.642 3.470 1.00 . A A . 9 CYS CB 1 1 2 654 1 1 9 CYS H H -8.271 -2.948 4.828 1.00 . A A . 9 CYS H 1 1 2 655 1 1 9 CYS HA H -10.642 -1.550 3.866 1.00 . A A . 9 CYS HA 1 1 2 656 1 1 9 CYS HB2 H -10.415 -4.542 4.013 1.00 . A A . 9 CYS HB2 1 1 2 657 1 1 9 CYS HB3 H -11.702 -3.592 3.282 1.00 . A A . 9 CYS HB3 1 1 2 658 1 1 9 CYS N N -8.813 -2.285 4.356 1.00 . A A . 9 CYS N 1 1 2 659 1 1 9 CYS O O -10.962 -3.653 6.252 1.00 . A A . 9 CYS O 1 1 2 660 1 1 9 CYS SG S -9.804 -3.740 1.858 1.00 . A A . 9 CYS SG 1 1 2 661 1 1 10 THR C C -13.029 -1.011 7.736 1.00 . A A . 10 THR C 1 1 2 662 1 1 10 THR CA C -11.550 -1.340 7.687 1.00 . A A . 10 THR CA 1 1 2 663 1 1 10 THR CB C -10.775 -0.295 8.493 1.00 . A A . 10 THR CB 1 1 2 664 1 1 10 THR CG2 C -9.281 -0.318 8.238 1.00 . A A . 10 THR CG2 1 1 2 665 1 1 10 THR H H -10.868 -0.568 5.838 1.00 . A A . 10 THR H 1 1 2 666 1 1 10 THR HA H -11.408 -2.303 8.143 1.00 . A A . 10 THR HA 1 1 2 667 1 1 10 THR HB H -10.934 -0.480 9.545 1.00 . A A . 10 THR HB 1 1 2 668 1 1 10 THR HG1 H -10.563 1.657 8.392 1.00 . A A . 10 THR HG1 1 1 2 669 1 1 10 THR HG21 H -8.774 0.207 9.034 1.00 . A A . 10 THR HG21 1 1 2 670 1 1 10 THR HG22 H -9.071 0.165 7.296 1.00 . A A . 10 THR HG22 1 1 2 671 1 1 10 THR HG23 H -8.938 -1.342 8.207 1.00 . A A . 10 THR HG23 1 1 2 672 1 1 10 THR N N -11.046 -1.402 6.322 1.00 . A A . 10 THR N 1 1 2 673 1 1 10 THR O O -13.526 -0.213 6.948 1.00 . A A . 10 THR O 1 1 2 674 1 1 10 THR OG1 O -11.247 1.011 8.195 1.00 . A A . 10 THR OG1 1 1 2 675 1 1 11 LYS C C -15.944 -0.935 7.801 1.00 . A A . 11 LYS C 1 1 2 676 1 1 11 LYS CA C -15.121 -1.453 8.986 1.00 . A A . 11 LYS CA 1 1 2 677 1 1 11 LYS CB C -15.265 -0.478 10.146 1.00 . A A . 11 LYS CB 1 1 2 678 1 1 11 LYS CD C -14.970 -1.772 12.282 1.00 . A A . 11 LYS CD 1 1 2 679 1 1 11 LYS CE C -15.656 -1.070 13.443 1.00 . A A . 11 LYS CE 1 1 2 680 1 1 11 LYS CG C -14.347 -0.777 11.319 1.00 . A A . 11 LYS CG 1 1 2 681 1 1 11 LYS H H -13.189 -2.235 9.294 1.00 . A A . 11 LYS H 1 1 2 682 1 1 11 LYS HA H -15.519 -2.406 9.293 1.00 . A A . 11 LYS HA 1 1 2 683 1 1 11 LYS HB2 H -15.032 0.510 9.786 1.00 . A A . 11 LYS HB2 1 1 2 684 1 1 11 LYS HB3 H -16.284 -0.499 10.497 1.00 . A A . 11 LYS HB3 1 1 2 685 1 1 11 LYS HD2 H -15.699 -2.366 11.751 1.00 . A A . 11 LYS HD2 1 1 2 686 1 1 11 LYS HD3 H -14.193 -2.416 12.671 1.00 . A A . 11 LYS HD3 1 1 2 687 1 1 11 LYS HE2 H -16.151 -0.186 13.069 1.00 . A A . 11 LYS HE2 1 1 2 688 1 1 11 LYS HE3 H -16.390 -1.739 13.867 1.00 . A A . 11 LYS HE3 1 1 2 689 1 1 11 LYS HG2 H -13.422 -1.185 10.943 1.00 . A A . 11 LYS HG2 1 1 2 690 1 1 11 LYS HG3 H -14.146 0.145 11.845 1.00 . A A . 11 LYS HG3 1 1 2 691 1 1 11 LYS HZ1 H -14.432 -1.499 15.080 1.00 . A A . 11 LYS HZ1 1 1 2 692 1 1 11 LYS HZ2 H -15.115 0.048 15.122 1.00 . A A . 11 LYS HZ2 1 1 2 693 1 1 11 LYS HZ3 H -13.829 -0.279 14.073 1.00 . A A . 11 LYS HZ3 1 1 2 694 1 1 11 LYS N N -13.695 -1.633 8.708 1.00 . A A . 11 LYS N 1 1 2 695 1 1 11 LYS NZ N -14.690 -0.673 14.504 1.00 . A A . 11 LYS NZ 1 1 2 696 1 1 11 LYS O O -16.889 -1.588 7.361 1.00 . A A . 11 LYS O 1 1 2 697 1 1 12 SER C C -15.926 0.369 4.857 1.00 . A A . 12 SER C 1 1 2 698 1 1 12 SER CA C -16.352 0.880 6.234 1.00 . A A . 12 SER CA 1 1 2 699 1 1 12 SER CB C -16.187 2.400 6.291 1.00 . A A . 12 SER CB 1 1 2 700 1 1 12 SER H H -14.867 0.746 7.747 1.00 . A A . 12 SER H 1 1 2 701 1 1 12 SER HA H -17.394 0.645 6.377 1.00 . A A . 12 SER HA 1 1 2 702 1 1 12 SER HB2 H -16.908 2.863 5.634 1.00 . A A . 12 SER HB2 1 1 2 703 1 1 12 SER HB3 H -16.354 2.741 7.304 1.00 . A A . 12 SER HB3 1 1 2 704 1 1 12 SER HG H -14.940 3.599 5.373 1.00 . A A . 12 SER HG 1 1 2 705 1 1 12 SER N N -15.609 0.258 7.327 1.00 . A A . 12 SER N 1 1 2 706 1 1 12 SER O O -16.435 0.835 3.839 1.00 . A A . 12 SER O 1 1 2 707 1 1 12 SER OG O -14.886 2.790 5.887 1.00 . A A . 12 SER OG 1 1 2 708 1 1 13 GLY C C -13.124 -0.868 3.246 1.00 . A A . 13 GLY C 1 1 2 709 1 1 13 GLY CA C -14.583 -1.147 3.545 1.00 . A A . 13 GLY CA 1 1 2 710 1 1 13 GLY H H -14.646 -0.952 5.658 1.00 . A A . 13 GLY H 1 1 2 711 1 1 13 GLY HA2 H -14.736 -2.215 3.557 1.00 . A A . 13 GLY HA2 1 1 2 712 1 1 13 GLY HA3 H -15.187 -0.718 2.759 1.00 . A A . 13 GLY HA3 1 1 2 713 1 1 13 GLY N N -15.015 -0.599 4.821 1.00 . A A . 13 GLY N 1 1 2 714 1 1 13 GLY O O -12.330 -0.665 4.161 1.00 . A A . 13 GLY O 1 1 2 715 1 1 14 CYS C C -11.171 0.864 1.248 1.00 . A A . 14 CYS C 1 1 2 716 1 1 14 CYS CA C -11.400 -0.606 1.536 1.00 . A A . 14 CYS CA 1 1 2 717 1 1 14 CYS CB C -11.038 -1.442 0.315 1.00 . A A . 14 CYS CB 1 1 2 718 1 1 14 CYS H H -13.455 -1.033 1.277 1.00 . A A . 14 CYS H 1 1 2 719 1 1 14 CYS HA H -10.747 -0.878 2.338 1.00 . A A . 14 CYS HA 1 1 2 720 1 1 14 CYS HB2 H -11.647 -1.136 -0.516 1.00 . A A . 14 CYS HB2 1 1 2 721 1 1 14 CYS HB3 H -9.998 -1.270 0.081 1.00 . A A . 14 CYS HB3 1 1 2 722 1 1 14 CYS N N -12.773 -0.861 1.959 1.00 . A A . 14 CYS N 1 1 2 723 1 1 14 CYS O O -11.900 1.491 0.478 1.00 . A A . 14 CYS O 1 1 2 724 1 1 14 CYS SG S -11.262 -3.235 0.539 1.00 . A A . 14 CYS SG 1 1 2 725 1 1 15 SER C C -8.257 2.969 1.798 1.00 . A A . 15 SER C 1 1 2 726 1 1 15 SER CA C -9.768 2.801 1.710 1.00 . A A . 15 SER CA 1 1 2 727 1 1 15 SER CB C -10.452 3.671 2.766 1.00 . A A . 15 SER CB 1 1 2 728 1 1 15 SER H H -9.599 0.825 2.470 1.00 . A A . 15 SER H 1 1 2 729 1 1 15 SER HA H -10.093 3.113 0.729 1.00 . A A . 15 SER HA 1 1 2 730 1 1 15 SER HB2 H -10.283 4.713 2.534 1.00 . A A . 15 SER HB2 1 1 2 731 1 1 15 SER HB3 H -11.514 3.471 2.762 1.00 . A A . 15 SER HB3 1 1 2 732 1 1 15 SER HG H -9.134 3.913 4.195 1.00 . A A . 15 SER HG 1 1 2 733 1 1 15 SER N N -10.137 1.398 1.877 1.00 . A A . 15 SER N 1 1 2 734 1 1 15 SER O O -7.542 2.031 2.153 1.00 . A A . 15 SER O 1 1 2 735 1 1 15 SER OG O -9.939 3.406 4.058 1.00 . A A . 15 SER OG 1 1 2 736 1 1 16 VAL C C -6.027 5.557 2.501 1.00 . A A . 16 VAL C 1 1 2 737 1 1 16 VAL CA C -6.345 4.449 1.512 1.00 . A A . 16 VAL CA 1 1 2 738 1 1 16 VAL CB C -5.797 4.879 0.136 1.00 . A A . 16 VAL CB 1 1 2 739 1 1 16 VAL CG1 C -4.279 4.924 0.134 1.00 . A A . 16 VAL CG1 1 1 2 740 1 1 16 VAL CG2 C -6.266 3.951 -0.945 1.00 . A A . 16 VAL CG2 1 1 2 741 1 1 16 VAL H H -8.394 4.872 1.192 1.00 . A A . 16 VAL H 1 1 2 742 1 1 16 VAL HA H -5.834 3.550 1.818 1.00 . A A . 16 VAL HA 1 1 2 743 1 1 16 VAL HB H -6.169 5.868 -0.081 1.00 . A A . 16 VAL HB 1 1 2 744 1 1 16 VAL HG11 H -3.950 5.920 -0.105 1.00 . A A . 16 VAL HG11 1 1 2 745 1 1 16 VAL HG12 H -3.901 4.236 -0.610 1.00 . A A . 16 VAL HG12 1 1 2 746 1 1 16 VAL HG13 H -3.910 4.641 1.103 1.00 . A A . 16 VAL HG13 1 1 2 747 1 1 16 VAL HG21 H -6.346 2.954 -0.538 1.00 . A A . 16 VAL HG21 1 1 2 748 1 1 16 VAL HG22 H -5.541 3.963 -1.748 1.00 . A A . 16 VAL HG22 1 1 2 749 1 1 16 VAL HG23 H -7.225 4.281 -1.314 1.00 . A A . 16 VAL HG23 1 1 2 750 1 1 16 VAL N N -7.775 4.166 1.469 1.00 . A A . 16 VAL N 1 1 2 751 1 1 16 VAL O O -6.536 6.671 2.385 1.00 . A A . 16 VAL O 1 1 2 752 1 1 17 ASN C C -3.800 7.250 3.771 1.00 . A A . 17 ASN C 1 1 2 753 1 1 17 ASN CA C -4.749 6.256 4.434 1.00 . A A . 17 ASN CA 1 1 2 754 1 1 17 ASN CB C -4.070 5.593 5.633 1.00 . A A . 17 ASN CB 1 1 2 755 1 1 17 ASN CG C -4.933 5.627 6.880 1.00 . A A . 17 ASN CG 1 1 2 756 1 1 17 ASN H H -4.769 4.355 3.482 1.00 . A A . 17 ASN H 1 1 2 757 1 1 17 ASN HA H -5.631 6.782 4.767 1.00 . A A . 17 ASN HA 1 1 2 758 1 1 17 ASN HB2 H -3.858 4.563 5.392 1.00 . A A . 17 ASN HB2 1 1 2 759 1 1 17 ASN HB3 H -3.141 6.106 5.845 1.00 . A A . 17 ASN HB3 1 1 2 760 1 1 17 ASN HD21 H -3.716 6.963 7.710 1.00 . A A . 17 ASN HD21 1 1 2 761 1 1 17 ASN HD22 H -5.069 6.483 8.670 1.00 . A A . 17 ASN HD22 1 1 2 762 1 1 17 ASN N N -5.161 5.256 3.455 1.00 . A A . 17 ASN N 1 1 2 763 1 1 17 ASN ND2 N -4.533 6.441 7.851 1.00 . A A . 17 ASN ND2 1 1 2 764 1 1 17 ASN O O -3.514 8.318 4.306 1.00 . A A . 17 ASN O 1 1 2 765 1 1 17 ASN OD1 O -5.945 4.930 6.972 1.00 . A A . 17 ASN OD1 1 1 2 766 1 1 18 TRP C C -1.080 7.858 2.506 1.00 . A A . 18 TRP C 1 1 2 767 1 1 18 TRP CA C -2.411 7.689 1.804 1.00 . A A . 18 TRP CA 1 1 2 768 1 1 18 TRP CB C -3.073 9.022 1.457 1.00 . A A . 18 TRP CB 1 1 2 769 1 1 18 TRP CD1 C -5.488 8.933 0.601 1.00 . A A . 18 TRP CD1 1 1 2 770 1 1 18 TRP CD2 C -3.944 8.384 -0.910 1.00 . A A . 18 TRP CD2 1 1 2 771 1 1 18 TRP CE2 C -5.206 8.286 -1.510 1.00 . A A . 18 TRP CE2 1 1 2 772 1 1 18 TRP CE3 C -2.814 8.084 -1.662 1.00 . A A . 18 TRP CE3 1 1 2 773 1 1 18 TRP CG C -4.142 8.819 0.432 1.00 . A A . 18 TRP CG 1 1 2 774 1 1 18 TRP CH2 C -4.243 7.602 -3.545 1.00 . A A . 18 TRP CH2 1 1 2 775 1 1 18 TRP CZ2 C -5.368 7.895 -2.832 1.00 . A A . 18 TRP CZ2 1 1 2 776 1 1 18 TRP CZ3 C -2.973 7.692 -2.974 1.00 . A A . 18 TRP CZ3 1 1 2 777 1 1 18 TRP H H -3.593 6.011 2.227 1.00 . A A . 18 TRP H 1 1 2 778 1 1 18 TRP HA H -2.223 7.153 0.879 1.00 . A A . 18 TRP HA 1 1 2 779 1 1 18 TRP HB2 H -3.521 9.451 2.343 1.00 . A A . 18 TRP HB2 1 1 2 780 1 1 18 TRP HB3 H -2.338 9.702 1.053 1.00 . A A . 18 TRP HB3 1 1 2 781 1 1 18 TRP HD1 H -5.961 9.224 1.521 1.00 . A A . 18 TRP HD1 1 1 2 782 1 1 18 TRP HE1 H -7.105 8.646 -0.704 1.00 . A A . 18 TRP HE1 1 1 2 783 1 1 18 TRP HE3 H -1.828 8.136 -1.225 1.00 . A A . 18 TRP HE3 1 1 2 784 1 1 18 TRP HH2 H -4.326 7.279 -4.571 1.00 . A A . 18 TRP HH2 1 1 2 785 1 1 18 TRP HZ2 H -6.342 7.821 -3.293 1.00 . A A . 18 TRP HZ2 1 1 2 786 1 1 18 TRP HZ3 H -2.107 7.449 -3.573 1.00 . A A . 18 TRP HZ3 1 1 2 787 1 1 18 TRP N N -3.319 6.871 2.588 1.00 . A A . 18 TRP N 1 1 2 788 1 1 18 TRP NE1 N -6.136 8.624 -0.568 1.00 . A A . 18 TRP NE1 1 1 2 789 1 1 18 TRP O O -0.087 7.271 2.081 1.00 . A A . 18 TRP O 1 1 2 790 1 1 19 GLY C C 0.786 7.399 4.644 1.00 . A A . 19 GLY C 1 1 2 791 1 1 19 GLY CA C 0.204 8.762 4.312 1.00 . A A . 19 GLY CA 1 1 2 792 1 1 19 GLY H H -1.864 9.044 3.923 1.00 . A A . 19 GLY H 1 1 2 793 1 1 19 GLY HA2 H 0.905 9.301 3.683 1.00 . A A . 19 GLY HA2 1 1 2 794 1 1 19 GLY HA3 H 0.037 9.314 5.223 1.00 . A A . 19 GLY HA3 1 1 2 795 1 1 19 GLY N N -1.046 8.614 3.595 1.00 . A A . 19 GLY N 1 1 2 796 1 1 19 GLY O O 2.002 7.238 4.748 1.00 . A A . 19 GLY O 1 1 2 797 1 1 20 GLU C C 0.884 4.442 3.765 1.00 . A A . 20 GLU C 1 1 2 798 1 1 20 GLU CA C 0.302 5.038 5.037 1.00 . A A . 20 GLU CA 1 1 2 799 1 1 20 GLU CB C -0.897 4.211 5.507 1.00 . A A . 20 GLU CB 1 1 2 800 1 1 20 GLU CD C 0.066 2.833 7.392 1.00 . A A . 20 GLU CD 1 1 2 801 1 1 20 GLU CG C -0.900 3.933 7.002 1.00 . A A . 20 GLU CG 1 1 2 802 1 1 20 GLU H H -1.053 6.604 4.643 1.00 . A A . 20 GLU H 1 1 2 803 1 1 20 GLU HA H 1.058 5.050 5.807 1.00 . A A . 20 GLU HA 1 1 2 804 1 1 20 GLU HB2 H -1.804 4.742 5.259 1.00 . A A . 20 GLU HB2 1 1 2 805 1 1 20 GLU HB3 H -0.896 3.266 4.988 1.00 . A A . 20 GLU HB3 1 1 2 806 1 1 20 GLU HG2 H -0.623 4.836 7.523 1.00 . A A . 20 GLU HG2 1 1 2 807 1 1 20 GLU HG3 H -1.897 3.638 7.297 1.00 . A A . 20 GLU HG3 1 1 2 808 1 1 20 GLU N N -0.101 6.409 4.767 1.00 . A A . 20 GLU N 1 1 2 809 1 1 20 GLU O O 1.897 3.741 3.788 1.00 . A A . 20 GLU O 1 1 2 810 1 1 20 GLU OE1 O 1.037 2.601 6.640 1.00 . A A . 20 GLU OE1 1 1 2 811 1 1 20 GLU OE2 O -0.145 2.204 8.450 1.00 . A A . 20 GLU OE2 1 1 2 812 1 1 21 ALA C C 1.988 4.967 0.983 1.00 . A A . 21 ALA C 1 1 2 813 1 1 21 ALA CA C 0.683 4.290 1.342 1.00 . A A . 21 ALA CA 1 1 2 814 1 1 21 ALA CB C -0.361 4.625 0.302 1.00 . A A . 21 ALA CB 1 1 2 815 1 1 21 ALA H H -0.559 5.331 2.692 1.00 . A A . 21 ALA H 1 1 2 816 1 1 21 ALA HA H 0.817 3.218 1.376 1.00 . A A . 21 ALA HA 1 1 2 817 1 1 21 ALA HB1 H -1.313 4.780 0.790 1.00 . A A . 21 ALA HB1 1 1 2 818 1 1 21 ALA HB2 H -0.441 3.815 -0.404 1.00 . A A . 21 ALA HB2 1 1 2 819 1 1 21 ALA HB3 H -0.071 5.529 -0.211 1.00 . A A . 21 ALA HB3 1 1 2 820 1 1 21 ALA N N 0.237 4.756 2.643 1.00 . A A . 21 ALA N 1 1 2 821 1 1 21 ALA O O 2.897 4.352 0.431 1.00 . A A . 21 ALA O 1 1 2 822 1 1 22 PHE C C 4.439 6.355 1.791 1.00 . A A . 22 PHE C 1 1 2 823 1 1 22 PHE CA C 3.271 7.021 1.091 1.00 . A A . 22 PHE CA 1 1 2 824 1 1 22 PHE CB C 3.078 8.439 1.630 1.00 . A A . 22 PHE CB 1 1 2 825 1 1 22 PHE CD1 C 5.425 9.253 1.982 1.00 . A A . 22 PHE CD1 1 1 2 826 1 1 22 PHE CD2 C 4.082 10.342 0.339 1.00 . A A . 22 PHE CD2 1 1 2 827 1 1 22 PHE CE1 C 6.477 10.101 1.688 1.00 . A A . 22 PHE CE1 1 1 2 828 1 1 22 PHE CE2 C 5.130 11.193 0.041 1.00 . A A . 22 PHE CE2 1 1 2 829 1 1 22 PHE CG C 4.218 9.364 1.312 1.00 . A A . 22 PHE CG 1 1 2 830 1 1 22 PHE CZ C 6.329 11.072 0.717 1.00 . A A . 22 PHE CZ 1 1 2 831 1 1 22 PHE H H 1.319 6.661 1.797 1.00 . A A . 22 PHE H 1 1 2 832 1 1 22 PHE HA H 3.454 7.056 0.026 1.00 . A A . 22 PHE HA 1 1 2 833 1 1 22 PHE HB2 H 2.179 8.859 1.206 1.00 . A A . 22 PHE HB2 1 1 2 834 1 1 22 PHE HB3 H 2.974 8.392 2.706 1.00 . A A . 22 PHE HB3 1 1 2 835 1 1 22 PHE HD1 H 5.543 8.495 2.741 1.00 . A A . 22 PHE HD1 1 1 2 836 1 1 22 PHE HD2 H 3.145 10.437 -0.190 1.00 . A A . 22 PHE HD2 1 1 2 837 1 1 22 PHE HE1 H 7.412 10.005 2.218 1.00 . A A . 22 PHE HE1 1 1 2 838 1 1 22 PHE HE2 H 5.013 11.952 -0.718 1.00 . A A . 22 PHE HE2 1 1 2 839 1 1 22 PHE HZ H 7.149 11.735 0.486 1.00 . A A . 22 PHE HZ 1 1 2 840 1 1 22 PHE N N 2.076 6.241 1.337 1.00 . A A . 22 PHE N 1 1 2 841 1 1 22 PHE O O 5.547 6.287 1.264 1.00 . A A . 22 PHE O 1 1 2 842 1 1 23 SER C C 5.483 3.786 3.126 1.00 . A A . 23 SER C 1 1 2 843 1 1 23 SER CA C 5.155 5.127 3.770 1.00 . A A . 23 SER CA 1 1 2 844 1 1 23 SER CB C 4.652 4.911 5.200 1.00 . A A . 23 SER CB 1 1 2 845 1 1 23 SER H H 3.233 5.907 3.316 1.00 . A A . 23 SER H 1 1 2 846 1 1 23 SER HA H 6.055 5.731 3.795 1.00 . A A . 23 SER HA 1 1 2 847 1 1 23 SER HB2 H 3.630 4.565 5.170 1.00 . A A . 23 SER HB2 1 1 2 848 1 1 23 SER HB3 H 5.268 4.170 5.688 1.00 . A A . 23 SER HB3 1 1 2 849 1 1 23 SER HG H 4.983 5.918 6.845 1.00 . A A . 23 SER HG 1 1 2 850 1 1 23 SER N N 4.155 5.835 2.977 1.00 . A A . 23 SER N 1 1 2 851 1 1 23 SER O O 6.600 3.284 3.238 1.00 . A A . 23 SER O 1 1 2 852 1 1 23 SER OG O 4.704 6.114 5.949 1.00 . A A . 23 SER OG 1 1 2 853 1 1 24 ALA C C 5.474 2.092 0.515 1.00 . A A . 24 ALA C 1 1 2 854 1 1 24 ALA CA C 4.661 1.929 1.788 1.00 . A A . 24 ALA CA 1 1 2 855 1 1 24 ALA CB C 3.305 1.320 1.471 1.00 . A A . 24 ALA CB 1 1 2 856 1 1 24 ALA H H 3.623 3.668 2.402 1.00 . A A . 24 ALA H 1 1 2 857 1 1 24 ALA HA H 5.184 1.266 2.461 1.00 . A A . 24 ALA HA 1 1 2 858 1 1 24 ALA HB1 H 2.941 1.725 0.539 1.00 . A A . 24 ALA HB1 1 1 2 859 1 1 24 ALA HB2 H 2.609 1.556 2.263 1.00 . A A . 24 ALA HB2 1 1 2 860 1 1 24 ALA HB3 H 3.403 0.247 1.384 1.00 . A A . 24 ALA HB3 1 1 2 861 1 1 24 ALA N N 4.491 3.213 2.453 1.00 . A A . 24 ALA N 1 1 2 862 1 1 24 ALA O O 6.428 1.353 0.269 1.00 . A A . 24 ALA O 1 1 2 863 1 1 25 GLY C C 7.214 3.771 -1.309 1.00 . A A . 25 GLY C 1 1 2 864 1 1 25 GLY CA C 5.783 3.327 -1.532 1.00 . A A . 25 GLY CA 1 1 2 865 1 1 25 GLY H H 4.319 3.623 -0.038 1.00 . A A . 25 GLY H 1 1 2 866 1 1 25 GLY HA2 H 5.785 2.426 -2.127 1.00 . A A . 25 GLY HA2 1 1 2 867 1 1 25 GLY HA3 H 5.258 4.100 -2.074 1.00 . A A . 25 GLY HA3 1 1 2 868 1 1 25 GLY N N 5.087 3.070 -0.290 1.00 . A A . 25 GLY N 1 1 2 869 1 1 25 GLY O O 8.106 3.387 -2.059 1.00 . A A . 25 GLY O 1 1 2 870 1 1 26 VAL C C 9.700 3.944 0.412 1.00 . A A . 26 VAL C 1 1 2 871 1 1 26 VAL CA C 8.779 5.082 0.019 1.00 . A A . 26 VAL CA 1 1 2 872 1 1 26 VAL CB C 8.761 6.122 1.161 1.00 . A A . 26 VAL CB 1 1 2 873 1 1 26 VAL CG1 C 10.175 6.547 1.521 1.00 . A A . 26 VAL CG1 1 1 2 874 1 1 26 VAL CG2 C 7.926 7.330 0.776 1.00 . A A . 26 VAL CG2 1 1 2 875 1 1 26 VAL H H 6.685 4.866 0.280 1.00 . A A . 26 VAL H 1 1 2 876 1 1 26 VAL HA H 9.178 5.554 -0.875 1.00 . A A . 26 VAL HA 1 1 2 877 1 1 26 VAL HB H 8.312 5.665 2.033 1.00 . A A . 26 VAL HB 1 1 2 878 1 1 26 VAL HG11 H 10.720 6.778 0.617 1.00 . A A . 26 VAL HG11 1 1 2 879 1 1 26 VAL HG12 H 10.670 5.742 2.044 1.00 . A A . 26 VAL HG12 1 1 2 880 1 1 26 VAL HG13 H 10.138 7.420 2.155 1.00 . A A . 26 VAL HG13 1 1 2 881 1 1 26 VAL HG21 H 7.215 7.046 0.016 1.00 . A A . 26 VAL HG21 1 1 2 882 1 1 26 VAL HG22 H 8.570 8.108 0.398 1.00 . A A . 26 VAL HG22 1 1 2 883 1 1 26 VAL HG23 H 7.397 7.689 1.647 1.00 . A A . 26 VAL HG23 1 1 2 884 1 1 26 VAL N N 7.438 4.587 -0.283 1.00 . A A . 26 VAL N 1 1 2 885 1 1 26 VAL O O 10.863 3.917 0.022 1.00 . A A . 26 VAL O 1 1 2 886 1 1 27 HIS C C 10.446 1.100 0.345 1.00 . A A . 27 HIS C 1 1 2 887 1 1 27 HIS CA C 9.994 1.860 1.583 1.00 . A A . 27 HIS CA 1 1 2 888 1 1 27 HIS CB C 9.206 0.945 2.519 1.00 . A A . 27 HIS CB 1 1 2 889 1 1 27 HIS CD2 C 8.437 1.049 4.990 1.00 . A A . 27 HIS CD2 1 1 2 890 1 1 27 HIS CE1 C 8.614 3.212 5.274 1.00 . A A . 27 HIS CE1 1 1 2 891 1 1 27 HIS CG C 8.875 1.583 3.825 1.00 . A A . 27 HIS CG 1 1 2 892 1 1 27 HIS H H 8.243 3.048 1.454 1.00 . A A . 27 HIS H 1 1 2 893 1 1 27 HIS HA H 10.865 2.241 2.104 1.00 . A A . 27 HIS HA 1 1 2 894 1 1 27 HIS HB2 H 8.279 0.667 2.047 1.00 . A A . 27 HIS HB2 1 1 2 895 1 1 27 HIS HB3 H 9.785 0.058 2.723 1.00 . A A . 27 HIS HB3 1 1 2 896 1 1 27 HIS HD1 H 9.270 3.601 3.381 1.00 . A A . 27 HIS HD1 1 1 2 897 1 1 27 HIS HD2 H 8.246 0.003 5.185 1.00 . A A . 27 HIS HD2 1 1 2 898 1 1 27 HIS HE1 H 8.584 4.192 5.710 1.00 . A A . 27 HIS HE1 1 1 2 899 1 1 27 HIS HE2 H 8.071 1.994 6.828 1.00 . A A . 27 HIS HE2 1 1 2 900 1 1 27 HIS N N 9.183 2.992 1.173 1.00 . A A . 27 HIS N 1 1 2 901 1 1 27 HIS ND1 N 8.974 2.937 4.038 1.00 . A A . 27 HIS ND1 1 1 2 902 1 1 27 HIS NE2 N 8.282 2.085 5.876 1.00 . A A . 27 HIS NE2 1 1 2 903 1 1 27 HIS O O 11.588 0.664 0.252 1.00 . A A . 27 HIS O 1 1 2 904 1 1 28 ARG C C 10.826 1.088 -2.716 1.00 . A A . 28 ARG C 1 1 2 905 1 1 28 ARG CA C 9.836 0.286 -1.868 1.00 . A A . 28 ARG CA 1 1 2 906 1 1 28 ARG CB C 8.547 0.050 -2.657 1.00 . A A . 28 ARG CB 1 1 2 907 1 1 28 ARG CD C 6.819 -1.708 -3.144 1.00 . A A . 28 ARG CD 1 1 2 908 1 1 28 ARG CG C 7.663 -1.040 -2.071 1.00 . A A . 28 ARG CG 1 1 2 909 1 1 28 ARG CZ C 7.120 -3.549 -4.756 1.00 . A A . 28 ARG CZ 1 1 2 910 1 1 28 ARG H H 8.649 1.363 -0.488 1.00 . A A . 28 ARG H 1 1 2 911 1 1 28 ARG HA H 10.277 -0.669 -1.626 1.00 . A A . 28 ARG HA 1 1 2 912 1 1 28 ARG HB2 H 7.978 0.967 -2.680 1.00 . A A . 28 ARG HB2 1 1 2 913 1 1 28 ARG HB3 H 8.803 -0.230 -3.669 1.00 . A A . 28 ARG HB3 1 1 2 914 1 1 28 ARG HD2 H 6.063 -2.312 -2.664 1.00 . A A . 28 ARG HD2 1 1 2 915 1 1 28 ARG HD3 H 6.342 -0.941 -3.737 1.00 . A A . 28 ARG HD3 1 1 2 916 1 1 28 ARG HE H 8.583 -2.381 -4.065 1.00 . A A . 28 ARG HE 1 1 2 917 1 1 28 ARG HG2 H 8.289 -1.786 -1.604 1.00 . A A . 28 ARG HG2 1 1 2 918 1 1 28 ARG HG3 H 7.009 -0.601 -1.331 1.00 . A A . 28 ARG HG3 1 1 2 919 1 1 28 ARG HH11 H 5.209 -3.272 -4.152 1.00 . A A . 28 ARG HH11 1 1 2 920 1 1 28 ARG HH12 H 5.452 -4.562 -5.281 1.00 . A A . 28 ARG HH12 1 1 2 921 1 1 28 ARG HH21 H 8.901 -4.075 -5.553 1.00 . A A . 28 ARG HH21 1 1 2 922 1 1 28 ARG HH22 H 7.546 -5.019 -6.076 1.00 . A A . 28 ARG HH22 1 1 2 923 1 1 28 ARG N N 9.538 0.972 -0.617 1.00 . A A . 28 ARG N 1 1 2 924 1 1 28 ARG NE N 7.621 -2.557 -4.021 1.00 . A A . 28 ARG NE 1 1 2 925 1 1 28 ARG NH1 N 5.820 -3.815 -4.727 1.00 . A A . 28 ARG NH1 1 1 2 926 1 1 28 ARG NH2 N 7.922 -4.273 -5.525 1.00 . A A . 28 ARG NH2 1 1 2 927 1 1 28 ARG O O 11.798 0.536 -3.236 1.00 . A A . 28 ARG O 1 1 2 928 1 1 29 LEU C C 12.774 3.484 -2.973 1.00 . A A . 29 LEU C 1 1 2 929 1 1 29 LEU CA C 11.437 3.261 -3.654 1.00 . A A . 29 LEU CA 1 1 2 930 1 1 29 LEU CB C 10.771 4.617 -3.888 1.00 . A A . 29 LEU CB 1 1 2 931 1 1 29 LEU CD1 C 8.806 5.931 -4.694 1.00 . A A . 29 LEU CD1 1 1 2 932 1 1 29 LEU CD2 C 9.093 3.544 -5.392 1.00 . A A . 29 LEU CD2 1 1 2 933 1 1 29 LEU CG C 9.302 4.557 -4.281 1.00 . A A . 29 LEU CG 1 1 2 934 1 1 29 LEU H H 9.781 2.772 -2.423 1.00 . A A . 29 LEU H 1 1 2 935 1 1 29 LEU HA H 11.597 2.790 -4.600 1.00 . A A . 29 LEU HA 1 1 2 936 1 1 29 LEU HB2 H 10.857 5.198 -2.980 1.00 . A A . 29 LEU HB2 1 1 2 937 1 1 29 LEU HB3 H 11.309 5.126 -4.673 1.00 . A A . 29 LEU HB3 1 1 2 938 1 1 29 LEU HD11 H 7.727 5.936 -4.704 1.00 . A A . 29 LEU HD11 1 1 2 939 1 1 29 LEU HD12 H 9.178 6.167 -5.679 1.00 . A A . 29 LEU HD12 1 1 2 940 1 1 29 LEU HD13 H 9.163 6.666 -3.986 1.00 . A A . 29 LEU HD13 1 1 2 941 1 1 29 LEU HD21 H 10.022 3.401 -5.923 1.00 . A A . 29 LEU HD21 1 1 2 942 1 1 29 LEU HD22 H 8.337 3.905 -6.072 1.00 . A A . 29 LEU HD22 1 1 2 943 1 1 29 LEU HD23 H 8.778 2.606 -4.961 1.00 . A A . 29 LEU HD23 1 1 2 944 1 1 29 LEU HG H 8.727 4.241 -3.431 1.00 . A A . 29 LEU HG 1 1 2 945 1 1 29 LEU N N 10.571 2.390 -2.860 1.00 . A A . 29 LEU N 1 1 2 946 1 1 29 LEU O O 13.838 3.333 -3.574 1.00 . A A . 29 LEU O 1 1 2 947 1 1 30 ALA C C 14.727 2.959 -0.618 1.00 . A A . 30 ALA C 1 1 2 948 1 1 30 ALA CA C 13.864 4.186 -0.910 1.00 . A A . 30 ALA CA 1 1 2 949 1 1 30 ALA CB C 13.419 4.834 0.389 1.00 . A A . 30 ALA CB 1 1 2 950 1 1 30 ALA H H 11.797 4.002 -1.334 1.00 . A A . 30 ALA H 1 1 2 951 1 1 30 ALA HA H 14.460 4.907 -1.451 1.00 . A A . 30 ALA HA 1 1 2 952 1 1 30 ALA HB1 H 13.156 4.065 1.101 1.00 . A A . 30 ALA HB1 1 1 2 953 1 1 30 ALA HB2 H 12.558 5.458 0.201 1.00 . A A . 30 ALA HB2 1 1 2 954 1 1 30 ALA HB3 H 14.222 5.435 0.788 1.00 . A A . 30 ALA HB3 1 1 2 955 1 1 30 ALA N N 12.691 3.879 -1.720 1.00 . A A . 30 ALA N 1 1 2 956 1 1 30 ALA O O 15.907 3.096 -0.296 1.00 . A A . 30 ALA O 1 1 2 957 1 1 31 ASN C C 15.704 0.122 -1.697 1.00 . A A . 31 ASN C 1 1 2 958 1 1 31 ASN CA C 14.919 0.547 -0.460 1.00 . A A . 31 ASN CA 1 1 2 959 1 1 31 ASN CB C 14.005 -0.591 0.003 1.00 . A A . 31 ASN CB 1 1 2 960 1 1 31 ASN CG C 14.788 -1.805 0.466 1.00 . A A . 31 ASN CG 1 1 2 961 1 1 31 ASN H H 13.211 1.699 -0.981 1.00 . A A . 31 ASN H 1 1 2 962 1 1 31 ASN HA H 15.621 0.770 0.330 1.00 . A A . 31 ASN HA 1 1 2 963 1 1 31 ASN HB2 H 13.403 -0.245 0.831 1.00 . A A . 31 ASN HB2 1 1 2 964 1 1 31 ASN HB3 H 13.360 -0.890 -0.812 1.00 . A A . 31 ASN HB3 1 1 2 965 1 1 31 ASN HD21 H 14.486 -1.302 2.368 1.00 . A A . 31 ASN HD21 1 1 2 966 1 1 31 ASN HD22 H 15.407 -2.740 2.109 1.00 . A A . 31 ASN HD22 1 1 2 967 1 1 31 ASN N N 14.154 1.764 -0.723 1.00 . A A . 31 ASN N 1 1 2 968 1 1 31 ASN ND2 N 14.906 -1.965 1.781 1.00 . A A . 31 ASN ND2 1 1 2 969 1 1 31 ASN O O 15.482 -0.956 -2.246 1.00 . A A . 31 ASN O 1 1 2 970 1 1 31 ASN OD1 O 15.282 -2.587 -0.346 1.00 . A A . 31 ASN OD1 1 1 2 971 1 1 32 GLY C C 17.857 1.917 -4.060 1.00 . A A . 32 GLY C 1 1 2 972 1 1 32 GLY CA C 17.427 0.676 -3.302 1.00 . A A . 32 GLY CA 1 1 2 973 1 1 32 GLY H H 16.757 1.826 -1.653 1.00 . A A . 32 GLY H 1 1 2 974 1 1 32 GLY HA2 H 18.309 0.137 -2.986 1.00 . A A . 32 GLY HA2 1 1 2 975 1 1 32 GLY HA3 H 16.851 0.045 -3.963 1.00 . A A . 32 GLY HA3 1 1 2 976 1 1 32 GLY N N 16.624 0.981 -2.131 1.00 . A A . 32 GLY N 1 1 2 977 1 1 32 GLY O O 18.832 1.884 -4.809 1.00 . A A . 32 GLY O 1 1 2 978 1 1 33 GLY C C 16.984 5.480 -3.797 1.00 . A A . 33 GLY C 1 1 2 979 1 1 33 GLY CA C 17.460 4.254 -4.554 1.00 . A A . 33 GLY CA 1 1 2 980 1 1 33 GLY H H 16.357 2.982 -3.266 1.00 . A A . 33 GLY H 1 1 2 981 1 1 33 GLY HA2 H 18.534 4.313 -4.673 1.00 . A A . 33 GLY HA2 1 1 2 982 1 1 33 GLY HA3 H 17.000 4.248 -5.531 1.00 . A A . 33 GLY HA3 1 1 2 983 1 1 33 GLY N N 17.127 3.014 -3.872 1.00 . A A . 33 GLY N 1 1 2 984 1 1 33 GLY O O 15.781 5.699 -3.653 1.00 . A A . 33 GLY O 1 1 2 985 1 1 34 ASN C C 18.680 8.554 -2.739 1.00 . A A . 34 ASN C 1 1 2 986 1 1 34 ASN CA C 17.600 7.489 -2.566 1.00 . A A . 34 ASN CA 1 1 2 987 1 1 34 ASN CB C 17.434 7.156 -1.083 1.00 . A A . 34 ASN CB 1 1 2 988 1 1 34 ASN CG C 18.679 6.522 -0.491 1.00 . A A . 34 ASN CG 1 1 2 989 1 1 34 ASN H H 18.871 6.051 -3.463 1.00 . A A . 34 ASN H 1 1 2 990 1 1 34 ASN HA H 16.664 7.875 -2.947 1.00 . A A . 34 ASN HA 1 1 2 991 1 1 34 ASN HB2 H 17.218 8.062 -0.535 1.00 . A A . 34 ASN HB2 1 1 2 992 1 1 34 ASN HB3 H 16.610 6.465 -0.965 1.00 . A A . 34 ASN HB3 1 1 2 993 1 1 34 ASN HD21 H 18.098 4.731 -1.126 1.00 . A A . 34 ASN HD21 1 1 2 994 1 1 34 ASN HD22 H 19.601 4.774 -0.275 1.00 . A A . 34 ASN HD22 1 1 2 995 1 1 34 ASN N N 17.929 6.280 -3.315 1.00 . A A . 34 ASN N 1 1 2 996 1 1 34 ASN ND2 N 18.805 5.210 -0.647 1.00 . A A . 34 ASN ND2 1 1 2 997 1 1 34 ASN O O 19.737 8.486 -2.114 1.00 . A A . 34 ASN O 1 1 2 998 1 1 34 ASN OD1 O 19.518 7.206 0.097 1.00 . A A . 34 ASN OD1 1 1 2 999 1 1 35 GLY C C 18.781 11.976 -3.450 1.00 . A A . 35 GLY C 1 1 2 1000 1 1 35 GLY CA C 19.349 10.619 -3.818 1.00 . A A . 35 GLY CA 1 1 2 1001 1 1 35 GLY H H 17.534 9.547 -4.044 1.00 . A A . 35 GLY H 1 1 2 1002 1 1 35 GLY HA2 H 20.242 10.440 -3.232 1.00 . A A . 35 GLY HA2 1 1 2 1003 1 1 35 GLY HA3 H 19.615 10.625 -4.865 1.00 . A A . 35 GLY HA3 1 1 2 1004 1 1 35 GLY N N 18.399 9.543 -3.582 1.00 . A A . 35 GLY N 1 1 2 1005 1 1 35 GLY O O 19.073 12.978 -4.103 1.00 . A A . 35 GLY O 1 1 2 1006 1 1 36 PHE C C 18.342 14.103 -1.161 1.00 . A A . 36 PHE C 1 1 2 1007 1 1 36 PHE CA C 17.348 13.248 -1.942 1.00 . A A . 36 PHE CA 1 1 2 1008 1 1 36 PHE CB C 16.132 12.939 -1.067 1.00 . A A . 36 PHE CB 1 1 2 1009 1 1 36 PHE CD1 C 14.571 11.751 -2.628 1.00 . A A . 36 PHE CD1 1 1 2 1010 1 1 36 PHE CD2 C 13.921 13.883 -1.782 1.00 . A A . 36 PHE CD2 1 1 2 1011 1 1 36 PHE CE1 C 13.393 11.672 -3.345 1.00 . A A . 36 PHE CE1 1 1 2 1012 1 1 36 PHE CE2 C 12.741 13.811 -2.499 1.00 . A A . 36 PHE CE2 1 1 2 1013 1 1 36 PHE CG C 14.848 12.855 -1.839 1.00 . A A . 36 PHE CG 1 1 2 1014 1 1 36 PHE CZ C 12.477 12.704 -3.280 1.00 . A A . 36 PHE CZ 1 1 2 1015 1 1 36 PHE H H 17.774 11.174 -1.921 1.00 . A A . 36 PHE H 1 1 2 1016 1 1 36 PHE HA H 17.020 13.797 -2.815 1.00 . A A . 36 PHE HA 1 1 2 1017 1 1 36 PHE HB2 H 16.284 11.993 -0.569 1.00 . A A . 36 PHE HB2 1 1 2 1018 1 1 36 PHE HB3 H 16.024 13.717 -0.324 1.00 . A A . 36 PHE HB3 1 1 2 1019 1 1 36 PHE HD1 H 15.287 10.942 -2.679 1.00 . A A . 36 PHE HD1 1 1 2 1020 1 1 36 PHE HD2 H 14.128 14.750 -1.172 1.00 . A A . 36 PHE HD2 1 1 2 1021 1 1 36 PHE HE1 H 13.188 10.804 -3.955 1.00 . A A . 36 PHE HE1 1 1 2 1022 1 1 36 PHE HE2 H 12.027 14.619 -2.447 1.00 . A A . 36 PHE HE2 1 1 2 1023 1 1 36 PHE HZ H 11.555 12.644 -3.840 1.00 . A A . 36 PHE HZ 1 1 2 1024 1 1 36 PHE N N 17.967 12.006 -2.398 1.00 . A A . 36 PHE N 1 1 2 1025 1 1 36 PHE O O 18.997 13.623 -0.237 1.00 . A A . 36 PHE O 1 1 2 1026 1 1 37 TRP C C 18.762 16.774 0.462 1.00 . A A . 37 TRP C 1 1 2 1027 1 1 37 TRP CA C 19.351 16.298 -0.862 1.00 . A A . 37 TRP CA 1 1 2 1028 1 1 37 TRP CB C 19.657 17.497 -1.765 1.00 . A A . 37 TRP CB 1 1 2 1029 1 1 37 TRP CD1 C 21.390 17.021 -3.591 1.00 . A A . 37 TRP CD1 1 1 2 1030 1 1 37 TRP CD2 C 22.248 17.878 -1.710 1.00 . A A . 37 TRP CD2 1 1 2 1031 1 1 37 TRP CE2 C 23.296 17.663 -2.624 1.00 . A A . 37 TRP CE2 1 1 2 1032 1 1 37 TRP CE3 C 22.550 18.413 -0.455 1.00 . A A . 37 TRP CE3 1 1 2 1033 1 1 37 TRP CG C 21.036 17.461 -2.348 1.00 . A A . 37 TRP CG 1 1 2 1034 1 1 37 TRP CH2 C 24.887 18.487 -1.086 1.00 . A A . 37 TRP CH2 1 1 2 1035 1 1 37 TRP CZ2 C 24.623 17.964 -2.322 1.00 . A A . 37 TRP CZ2 1 1 2 1036 1 1 37 TRP CZ3 C 23.866 18.712 -0.156 1.00 . A A . 37 TRP CZ3 1 1 2 1037 1 1 37 TRP H H 17.891 15.703 -2.274 1.00 . A A . 37 TRP H 1 1 2 1038 1 1 37 TRP HA H 20.270 15.768 -0.662 1.00 . A A . 37 TRP HA 1 1 2 1039 1 1 37 TRP HB2 H 18.951 17.514 -2.581 1.00 . A A . 37 TRP HB2 1 1 2 1040 1 1 37 TRP HB3 H 19.561 18.407 -1.191 1.00 . A A . 37 TRP HB3 1 1 2 1041 1 1 37 TRP HD1 H 20.692 16.638 -4.322 1.00 . A A . 37 TRP HD1 1 1 2 1042 1 1 37 TRP HE1 H 23.241 16.889 -4.574 1.00 . A A . 37 TRP HE1 1 1 2 1043 1 1 37 TRP HE3 H 21.775 18.594 0.276 1.00 . A A . 37 TRP HE3 1 1 2 1044 1 1 37 TRP HH2 H 25.901 18.735 -0.810 1.00 . A A . 37 TRP HH2 1 1 2 1045 1 1 37 TRP HZ2 H 25.422 17.797 -3.028 1.00 . A A . 37 TRP HZ2 1 1 2 1046 1 1 37 TRP HZ3 H 24.116 19.127 0.809 1.00 . A A . 37 TRP HZ3 1 1 2 1047 1 1 37 TRP N N 18.444 15.375 -1.534 1.00 . A A . 37 TRP N 1 1 2 1048 1 1 37 TRP NE1 N 22.748 17.139 -3.765 1.00 . A A . 37 TRP NE1 1 1 2 1049 1 1 37 TRP O O 17.526 16.686 0.623 1.00 . A A . 37 TRP O 1 1 2 1050 1 1 37 TRP OXT O 19.539 17.232 1.324 1.00 . A A . 37 TRP OXT 1 1 3 1051 1 1 1 LYS C C -6.440 -4.539 5.371 1.00 . A A . 1 LYS C 1 1 3 1052 1 1 1 LYS CA C -7.313 -5.353 6.311 1.00 . A A . 1 LYS CA 1 1 3 1053 1 1 1 LYS CB C -8.171 -6.291 5.461 1.00 . A A . 1 LYS CB 1 1 3 1054 1 1 1 LYS CD C -10.431 -6.445 4.355 1.00 . A A . 1 LYS CD 1 1 3 1055 1 1 1 LYS CE C -10.041 -7.745 3.665 1.00 . A A . 1 LYS CE 1 1 3 1056 1 1 1 LYS CG C -9.219 -5.563 4.634 1.00 . A A . 1 LYS CG 1 1 3 1057 1 1 1 LYS HA H -6.686 -5.941 6.966 1.00 . A A . 1 LYS HA 1 1 3 1058 1 1 1 LYS HB2 H -7.520 -6.825 4.775 1.00 . A A . 1 LYS HB2 1 1 3 1059 1 1 1 LYS HB3 H -8.669 -6.998 6.104 1.00 . A A . 1 LYS HB3 1 1 3 1060 1 1 1 LYS HD2 H -10.915 -6.678 5.291 1.00 . A A . 1 LYS HD2 1 1 3 1061 1 1 1 LYS HD3 H -11.118 -5.903 3.720 1.00 . A A . 1 LYS HD3 1 1 3 1062 1 1 1 LYS HE2 H -10.725 -7.922 2.848 1.00 . A A . 1 LYS HE2 1 1 3 1063 1 1 1 LYS HE3 H -9.038 -7.646 3.278 1.00 . A A . 1 LYS HE3 1 1 3 1064 1 1 1 LYS HG2 H -9.538 -4.685 5.173 1.00 . A A . 1 LYS HG2 1 1 3 1065 1 1 1 LYS HG3 H -8.772 -5.267 3.694 1.00 . A A . 1 LYS HG3 1 1 3 1066 1 1 1 LYS HZ1 H -10.910 -8.822 5.232 1.00 . A A . 1 LYS HZ1 1 1 3 1067 1 1 1 LYS HZ2 H -9.225 -8.947 5.168 1.00 . A A . 1 LYS HZ2 1 1 3 1068 1 1 1 LYS HZ3 H -10.178 -9.793 4.056 1.00 . A A . 1 LYS HZ3 1 1 3 1069 1 1 1 LYS N N -8.198 -4.488 7.138 1.00 . A A . 1 LYS N 1 1 3 1070 1 1 1 LYS NZ N -10.092 -8.907 4.596 1.00 . A A . 1 LYS NZ 1 1 3 1071 1 1 1 LYS O O -6.934 -3.978 4.394 1.00 . A A . 1 LYS O 1 1 3 1072 1 1 2 TYR C C -3.988 -4.641 3.562 1.00 . A A . 2 TYR C 1 1 3 1073 1 1 2 TYR CA C -4.211 -3.814 4.808 1.00 . A A . 2 TYR CA 1 1 3 1074 1 1 2 TYR CB C -2.905 -3.677 5.573 1.00 . A A . 2 TYR CB 1 1 3 1075 1 1 2 TYR CD1 C -2.561 -1.469 4.430 1.00 . A A . 2 TYR CD1 1 1 3 1076 1 1 2 TYR CD2 C -0.769 -2.408 5.661 1.00 . A A . 2 TYR CD2 1 1 3 1077 1 1 2 TYR CE1 C -1.790 -0.378 4.118 1.00 . A A . 2 TYR CE1 1 1 3 1078 1 1 2 TYR CE2 C 0.020 -1.321 5.360 1.00 . A A . 2 TYR CE2 1 1 3 1079 1 1 2 TYR CG C -2.064 -2.496 5.204 1.00 . A A . 2 TYR CG 1 1 3 1080 1 1 2 TYR CZ C -0.495 -0.302 4.586 1.00 . A A . 2 TYR CZ 1 1 3 1081 1 1 2 TYR H H -4.786 -4.974 6.407 1.00 . A A . 2 TYR H 1 1 3 1082 1 1 2 TYR HA H -4.613 -2.844 4.559 1.00 . A A . 2 TYR HA 1 1 3 1083 1 1 2 TYR HB2 H -3.131 -3.592 6.622 1.00 . A A . 2 TYR HB2 1 1 3 1084 1 1 2 TYR HB3 H -2.314 -4.564 5.410 1.00 . A A . 2 TYR HB3 1 1 3 1085 1 1 2 TYR HD1 H -3.568 -1.535 4.058 1.00 . A A . 2 TYR HD1 1 1 3 1086 1 1 2 TYR HD2 H -0.380 -3.213 6.260 1.00 . A A . 2 TYR HD2 1 1 3 1087 1 1 2 TYR HE1 H -2.205 0.408 3.519 1.00 . A A . 2 TYR HE1 1 1 3 1088 1 1 2 TYR HE2 H 1.029 -1.273 5.731 1.00 . A A . 2 TYR HE2 1 1 3 1089 1 1 2 TYR HH H 1.143 0.490 3.958 1.00 . A A . 2 TYR HH 1 1 3 1090 1 1 2 TYR N N -5.139 -4.510 5.638 1.00 . A A . 2 TYR N 1 1 3 1091 1 1 2 TYR O O -4.374 -5.808 3.510 1.00 . A A . 2 TYR O 1 1 3 1092 1 1 2 TYR OH O 0.287 0.789 4.279 1.00 . A A . 2 TYR OH 1 1 3 1093 1 1 3 TYR C C -1.681 -4.621 0.890 1.00 . A A . 3 TYR C 1 1 3 1094 1 1 3 TYR CA C -3.147 -4.730 1.304 1.00 . A A . 3 TYR CA 1 1 3 1095 1 1 3 TYR CB C -4.079 -4.152 0.233 1.00 . A A . 3 TYR CB 1 1 3 1096 1 1 3 TYR CD1 C -5.438 -6.245 -0.085 1.00 . A A . 3 TYR CD1 1 1 3 1097 1 1 3 TYR CD2 C -6.596 -4.203 0.272 1.00 . A A . 3 TYR CD2 1 1 3 1098 1 1 3 TYR CE1 C -6.641 -6.919 -0.175 1.00 . A A . 3 TYR CE1 1 1 3 1099 1 1 3 TYR CE2 C -7.804 -4.863 0.185 1.00 . A A . 3 TYR CE2 1 1 3 1100 1 1 3 TYR CG C -5.397 -4.881 0.138 1.00 . A A . 3 TYR CG 1 1 3 1101 1 1 3 TYR CZ C -7.823 -6.222 -0.041 1.00 . A A . 3 TYR CZ 1 1 3 1102 1 1 3 TYR H H -3.122 -3.098 2.654 1.00 . A A . 3 TYR H 1 1 3 1103 1 1 3 TYR HA H -3.386 -5.778 1.448 1.00 . A A . 3 TYR HA 1 1 3 1104 1 1 3 TYR HB2 H -4.292 -3.119 0.473 1.00 . A A . 3 TYR HB2 1 1 3 1105 1 1 3 TYR HB3 H -3.606 -4.205 -0.731 1.00 . A A . 3 TYR HB3 1 1 3 1106 1 1 3 TYR HD1 H -4.510 -6.779 -0.186 1.00 . A A . 3 TYR HD1 1 1 3 1107 1 1 3 TYR HD2 H -6.574 -3.148 0.458 1.00 . A A . 3 TYR HD2 1 1 3 1108 1 1 3 TYR HE1 H -6.651 -7.985 -0.349 1.00 . A A . 3 TYR HE1 1 1 3 1109 1 1 3 TYR HE2 H -8.724 -4.314 0.287 1.00 . A A . 3 TYR HE2 1 1 3 1110 1 1 3 TYR HH H -9.398 -6.764 -1.003 1.00 . A A . 3 TYR HH 1 1 3 1111 1 1 3 TYR N N -3.390 -4.037 2.557 1.00 . A A . 3 TYR N 1 1 3 1112 1 1 3 TYR O O -1.188 -5.427 0.099 1.00 . A A . 3 TYR O 1 1 3 1113 1 1 3 TYR OH O -9.026 -6.887 -0.126 1.00 . A A . 3 TYR OH 1 1 3 1114 1 1 4 GLY C C 0.619 -2.295 0.163 1.00 . A A . 4 GLY C 1 1 3 1115 1 1 4 GLY CA C 0.411 -3.445 1.126 1.00 . A A . 4 GLY CA 1 1 3 1116 1 1 4 GLY H H -1.423 -3.027 2.069 1.00 . A A . 4 GLY H 1 1 3 1117 1 1 4 GLY HA2 H 0.946 -3.244 2.044 1.00 . A A . 4 GLY HA2 1 1 3 1118 1 1 4 GLY HA3 H 0.797 -4.349 0.681 1.00 . A A . 4 GLY HA3 1 1 3 1119 1 1 4 GLY N N -0.986 -3.634 1.440 1.00 . A A . 4 GLY N 1 1 3 1120 1 1 4 GLY O O 1.699 -2.142 -0.412 1.00 . A A . 4 GLY O 1 1 3 1121 1 1 5 ASN C C -1.067 0.864 -0.265 1.00 . A A . 5 ASN C 1 1 3 1122 1 1 5 ASN CA C -0.376 -0.335 -0.901 1.00 . A A . 5 ASN CA 1 1 3 1123 1 1 5 ASN CB C -1.058 -0.668 -2.233 1.00 . A A . 5 ASN CB 1 1 3 1124 1 1 5 ASN CG C -0.087 -1.231 -3.254 1.00 . A A . 5 ASN CG 1 1 3 1125 1 1 5 ASN H H -1.251 -1.668 0.481 1.00 . A A . 5 ASN H 1 1 3 1126 1 1 5 ASN HA H 0.659 -0.087 -1.081 1.00 . A A . 5 ASN HA 1 1 3 1127 1 1 5 ASN HB2 H -1.839 -1.395 -2.058 1.00 . A A . 5 ASN HB2 1 1 3 1128 1 1 5 ASN HB3 H -1.498 0.232 -2.637 1.00 . A A . 5 ASN HB3 1 1 3 1129 1 1 5 ASN HD21 H -1.498 -2.428 -3.984 1.00 . A A . 5 ASN HD21 1 1 3 1130 1 1 5 ASN HD22 H 0.049 -2.539 -4.746 1.00 . A A . 5 ASN HD22 1 1 3 1131 1 1 5 ASN N N -0.424 -1.486 -0.009 1.00 . A A . 5 ASN N 1 1 3 1132 1 1 5 ASN ND2 N -0.560 -2.160 -4.077 1.00 . A A . 5 ASN ND2 1 1 3 1133 1 1 5 ASN O O -1.408 1.827 -0.954 1.00 . A A . 5 ASN O 1 1 3 1134 1 1 5 ASN OD1 O 1.077 -0.833 -3.302 1.00 . A A . 5 ASN OD1 1 1 3 1135 1 1 6 GLY C C -3.491 1.649 1.727 1.00 . A A . 6 GLY C 1 1 3 1136 1 1 6 GLY CA C -1.996 1.880 1.703 1.00 . A A . 6 GLY CA 1 1 3 1137 1 1 6 GLY H H -1.066 -0.009 1.557 1.00 . A A . 6 GLY H 1 1 3 1138 1 1 6 GLY HA2 H -1.628 1.974 2.713 1.00 . A A . 6 GLY HA2 1 1 3 1139 1 1 6 GLY HA3 H -1.793 2.793 1.167 1.00 . A A . 6 GLY HA3 1 1 3 1140 1 1 6 GLY N N -1.315 0.794 1.044 1.00 . A A . 6 GLY N 1 1 3 1141 1 1 6 GLY O O -4.225 2.371 2.397 1.00 . A A . 6 GLY O 1 1 3 1142 1 1 7 VAL C C -5.800 -0.655 1.969 1.00 . A A . 7 VAL C 1 1 3 1143 1 1 7 VAL CA C -5.350 0.307 0.882 1.00 . A A . 7 VAL CA 1 1 3 1144 1 1 7 VAL CB C -5.685 -0.331 -0.477 1.00 . A A . 7 VAL CB 1 1 3 1145 1 1 7 VAL CG1 C -7.116 -0.808 -0.490 1.00 . A A . 7 VAL CG1 1 1 3 1146 1 1 7 VAL CG2 C -5.470 0.644 -1.604 1.00 . A A . 7 VAL CG2 1 1 3 1147 1 1 7 VAL H H -3.297 0.116 0.457 1.00 . A A . 7 VAL H 1 1 3 1148 1 1 7 VAL HA H -5.918 1.220 0.972 1.00 . A A . 7 VAL HA 1 1 3 1149 1 1 7 VAL HB H -5.039 -1.181 -0.630 1.00 . A A . 7 VAL HB 1 1 3 1150 1 1 7 VAL HG11 H -7.760 0.016 -0.226 1.00 . A A . 7 VAL HG11 1 1 3 1151 1 1 7 VAL HG12 H -7.234 -1.604 0.226 1.00 . A A . 7 VAL HG12 1 1 3 1152 1 1 7 VAL HG13 H -7.365 -1.166 -1.477 1.00 . A A . 7 VAL HG13 1 1 3 1153 1 1 7 VAL HG21 H -4.638 1.284 -1.371 1.00 . A A . 7 VAL HG21 1 1 3 1154 1 1 7 VAL HG22 H -6.365 1.234 -1.729 1.00 . A A . 7 VAL HG22 1 1 3 1155 1 1 7 VAL HG23 H -5.266 0.098 -2.513 1.00 . A A . 7 VAL HG23 1 1 3 1156 1 1 7 VAL N N -3.937 0.642 0.976 1.00 . A A . 7 VAL N 1 1 3 1157 1 1 7 VAL O O -5.515 -1.852 1.912 1.00 . A A . 7 VAL O 1 1 3 1158 1 1 8 HIS C C -8.601 -0.853 3.954 1.00 . A A . 8 HIS C 1 1 3 1159 1 1 8 HIS CA C -7.096 -0.946 3.988 1.00 . A A . 8 HIS CA 1 1 3 1160 1 1 8 HIS CB C -6.596 -0.513 5.372 1.00 . A A . 8 HIS CB 1 1 3 1161 1 1 8 HIS CD2 C -4.536 0.745 4.471 1.00 . A A . 8 HIS CD2 1 1 3 1162 1 1 8 HIS CE1 C -4.442 2.321 5.981 1.00 . A A . 8 HIS CE1 1 1 3 1163 1 1 8 HIS CG C -5.547 0.540 5.340 1.00 . A A . 8 HIS CG 1 1 3 1164 1 1 8 HIS H H -6.772 0.821 2.886 1.00 . A A . 8 HIS H 1 1 3 1165 1 1 8 HIS HA H -6.810 -1.970 3.805 1.00 . A A . 8 HIS HA 1 1 3 1166 1 1 8 HIS HB2 H -7.427 -0.126 5.943 1.00 . A A . 8 HIS HB2 1 1 3 1167 1 1 8 HIS HB3 H -6.188 -1.372 5.883 1.00 . A A . 8 HIS HB3 1 1 3 1168 1 1 8 HIS HD1 H -6.054 1.661 7.046 1.00 . A A . 8 HIS HD1 1 1 3 1169 1 1 8 HIS HD2 H -4.307 0.135 3.608 1.00 . A A . 8 HIS HD2 1 1 3 1170 1 1 8 HIS HE1 H -4.142 3.190 6.531 1.00 . A A . 8 HIS HE1 1 1 3 1171 1 1 8 HIS HE2 H -2.988 2.151 4.556 1.00 . A A . 8 HIS HE2 1 1 3 1172 1 1 8 HIS N N -6.549 -0.131 2.921 1.00 . A A . 8 HIS N 1 1 3 1173 1 1 8 HIS ND1 N -5.459 1.543 6.276 1.00 . A A . 8 HIS ND1 1 1 3 1174 1 1 8 HIS NE2 N -3.862 1.861 4.890 1.00 . A A . 8 HIS NE2 1 1 3 1175 1 1 8 HIS O O -9.165 0.157 3.538 1.00 . A A . 8 HIS O 1 1 3 1176 1 1 9 CYS C C -11.141 -1.960 5.882 1.00 . A A . 9 CYS C 1 1 3 1177 1 1 9 CYS CA C -10.687 -1.924 4.437 1.00 . A A . 9 CYS CA 1 1 3 1178 1 1 9 CYS CB C -11.237 -3.102 3.643 1.00 . A A . 9 CYS CB 1 1 3 1179 1 1 9 CYS H H -8.745 -2.680 4.726 1.00 . A A . 9 CYS H 1 1 3 1180 1 1 9 CYS HA H -11.030 -1.007 3.998 1.00 . A A . 9 CYS HA 1 1 3 1181 1 1 9 CYS HB2 H -11.162 -3.993 4.243 1.00 . A A . 9 CYS HB2 1 1 3 1182 1 1 9 CYS HB3 H -12.268 -2.906 3.413 1.00 . A A . 9 CYS HB3 1 1 3 1183 1 1 9 CYS N N -9.248 -1.905 4.400 1.00 . A A . 9 CYS N 1 1 3 1184 1 1 9 CYS O O -11.342 -3.025 6.470 1.00 . A A . 9 CYS O 1 1 3 1185 1 1 9 CYS SG S -10.371 -3.420 2.072 1.00 . A A . 9 CYS SG 1 1 3 1186 1 1 10 THR C C -13.179 -0.510 7.960 1.00 . A A . 10 THR C 1 1 3 1187 1 1 10 THR CA C -11.674 -0.631 7.845 1.00 . A A . 10 THR CA 1 1 3 1188 1 1 10 THR CB C -11.024 0.608 8.479 1.00 . A A . 10 THR CB 1 1 3 1189 1 1 10 THR CG2 C -9.642 0.917 7.938 1.00 . A A . 10 THR CG2 1 1 3 1190 1 1 10 THR H H -11.080 0.033 5.928 1.00 . A A . 10 THR H 1 1 3 1191 1 1 10 THR HA H -11.352 -1.510 8.376 1.00 . A A . 10 THR HA 1 1 3 1192 1 1 10 THR HB H -10.929 0.434 9.542 1.00 . A A . 10 THR HB 1 1 3 1193 1 1 10 THR HG1 H -11.337 2.449 7.848 1.00 . A A . 10 THR HG1 1 1 3 1194 1 1 10 THR HG21 H -9.235 0.036 7.467 1.00 . A A . 10 THR HG21 1 1 3 1195 1 1 10 THR HG22 H -8.997 1.216 8.751 1.00 . A A . 10 THR HG22 1 1 3 1196 1 1 10 THR HG23 H -9.707 1.716 7.216 1.00 . A A . 10 THR HG23 1 1 3 1197 1 1 10 THR N N -11.275 -0.771 6.454 1.00 . A A . 10 THR N 1 1 3 1198 1 1 10 THR O O -13.812 0.245 7.222 1.00 . A A . 10 THR O 1 1 3 1199 1 1 10 THR OG1 O -11.838 1.758 8.292 1.00 . A A . 10 THR OG1 1 1 3 1200 1 1 11 LYS C C -15.911 -2.074 8.081 1.00 . A A . 11 LYS C 1 1 3 1201 1 1 11 LYS CA C -15.177 -1.252 9.134 1.00 . A A . 11 LYS CA 1 1 3 1202 1 1 11 LYS CB C -15.713 0.182 9.170 1.00 . A A . 11 LYS CB 1 1 3 1203 1 1 11 LYS CD C -16.419 2.027 10.708 1.00 . A A . 11 LYS CD 1 1 3 1204 1 1 11 LYS CE C -16.767 2.364 12.146 1.00 . A A . 11 LYS CE 1 1 3 1205 1 1 11 LYS CG C -16.384 0.525 10.477 1.00 . A A . 11 LYS CG 1 1 3 1206 1 1 11 LYS H H -13.174 -1.836 9.449 1.00 . A A . 11 LYS H 1 1 3 1207 1 1 11 LYS HA H -15.347 -1.709 10.099 1.00 . A A . 11 LYS HA 1 1 3 1208 1 1 11 LYS HB2 H -14.895 0.867 9.019 1.00 . A A . 11 LYS HB2 1 1 3 1209 1 1 11 LYS HB3 H -16.434 0.312 8.379 1.00 . A A . 11 LYS HB3 1 1 3 1210 1 1 11 LYS HD2 H -15.449 2.440 10.478 1.00 . A A . 11 LYS HD2 1 1 3 1211 1 1 11 LYS HD3 H -17.161 2.463 10.056 1.00 . A A . 11 LYS HD3 1 1 3 1212 1 1 11 LYS HE2 H -17.286 1.524 12.586 1.00 . A A . 11 LYS HE2 1 1 3 1213 1 1 11 LYS HE3 H -15.854 2.549 12.691 1.00 . A A . 11 LYS HE3 1 1 3 1214 1 1 11 LYS HG2 H -17.393 0.150 10.448 1.00 . A A . 11 LYS HG2 1 1 3 1215 1 1 11 LYS HG3 H -15.840 0.054 11.280 1.00 . A A . 11 LYS HG3 1 1 3 1216 1 1 11 LYS HZ1 H -18.074 3.626 13.177 1.00 . A A . 11 LYS HZ1 1 1 3 1217 1 1 11 LYS HZ2 H -18.389 3.521 11.519 1.00 . A A . 11 LYS HZ2 1 1 3 1218 1 1 11 LYS HZ3 H -17.073 4.428 12.073 1.00 . A A . 11 LYS HZ3 1 1 3 1219 1 1 11 LYS N N -13.740 -1.262 8.897 1.00 . A A . 11 LYS N 1 1 3 1220 1 1 11 LYS NZ N -17.636 3.569 12.235 1.00 . A A . 11 LYS NZ 1 1 3 1221 1 1 11 LYS O O -16.225 -3.246 8.300 1.00 . A A . 11 LYS O 1 1 3 1222 1 1 12 SER C C -16.555 -1.502 4.506 1.00 . A A . 12 SER C 1 1 3 1223 1 1 12 SER CA C -16.900 -2.117 5.859 1.00 . A A . 12 SER CA 1 1 3 1224 1 1 12 SER CB C -18.408 -2.047 6.092 1.00 . A A . 12 SER CB 1 1 3 1225 1 1 12 SER H H -15.925 -0.512 6.840 1.00 . A A . 12 SER H 1 1 3 1226 1 1 12 SER HA H -16.595 -3.151 5.857 1.00 . A A . 12 SER HA 1 1 3 1227 1 1 12 SER HB2 H -18.916 -1.982 5.141 1.00 . A A . 12 SER HB2 1 1 3 1228 1 1 12 SER HB3 H -18.730 -2.936 6.612 1.00 . A A . 12 SER HB3 1 1 3 1229 1 1 12 SER HG H -19.486 -0.453 6.458 1.00 . A A . 12 SER HG 1 1 3 1230 1 1 12 SER N N -16.194 -1.449 6.945 1.00 . A A . 12 SER N 1 1 3 1231 1 1 12 SER O O -17.324 -1.617 3.551 1.00 . A A . 12 SER O 1 1 3 1232 1 1 12 SER OG O -18.752 -0.913 6.869 1.00 . A A . 12 SER OG 1 1 3 1233 1 1 13 GLY C C -13.510 -0.100 3.027 1.00 . A A . 13 GLY C 1 1 3 1234 1 1 13 GLY CA C -15.010 -0.223 3.173 1.00 . A A . 13 GLY CA 1 1 3 1235 1 1 13 GLY H H -14.830 -0.772 5.211 1.00 . A A . 13 GLY H 1 1 3 1236 1 1 13 GLY HA2 H -15.392 -0.816 2.356 1.00 . A A . 13 GLY HA2 1 1 3 1237 1 1 13 GLY HA3 H -15.447 0.763 3.121 1.00 . A A . 13 GLY HA3 1 1 3 1238 1 1 13 GLY N N -15.406 -0.842 4.423 1.00 . A A . 13 GLY N 1 1 3 1239 1 1 13 GLY O O -12.799 0.094 4.012 1.00 . A A . 13 GLY O 1 1 3 1240 1 1 14 CYS C C -11.233 1.337 1.193 1.00 . A A . 14 CYS C 1 1 3 1241 1 1 14 CYS CA C -11.604 -0.093 1.524 1.00 . A A . 14 CYS CA 1 1 3 1242 1 1 14 CYS CB C -11.181 -1.028 0.396 1.00 . A A . 14 CYS CB 1 1 3 1243 1 1 14 CYS H H -13.643 -0.355 1.045 1.00 . A A . 14 CYS H 1 1 3 1244 1 1 14 CYS HA H -11.077 -0.369 2.413 1.00 . A A . 14 CYS HA 1 1 3 1245 1 1 14 CYS HB2 H -11.624 -0.691 -0.527 1.00 . A A . 14 CYS HB2 1 1 3 1246 1 1 14 CYS HB3 H -10.105 -0.998 0.310 1.00 . A A . 14 CYS HB3 1 1 3 1247 1 1 14 CYS N N -13.026 -0.206 1.792 1.00 . A A . 14 CYS N 1 1 3 1248 1 1 14 CYS O O -11.834 1.970 0.327 1.00 . A A . 14 CYS O 1 1 3 1249 1 1 14 CYS SG S -11.667 -2.766 0.651 1.00 . A A . 14 CYS SG 1 1 3 1250 1 1 15 SER C C -8.246 3.259 1.927 1.00 . A A . 15 SER C 1 1 3 1251 1 1 15 SER CA C -9.747 3.187 1.710 1.00 . A A . 15 SER CA 1 1 3 1252 1 1 15 SER CB C -10.461 4.142 2.667 1.00 . A A . 15 SER CB 1 1 3 1253 1 1 15 SER H H -9.798 1.248 2.567 1.00 . A A . 15 SER H 1 1 3 1254 1 1 15 SER HA H -9.967 3.479 0.694 1.00 . A A . 15 SER HA 1 1 3 1255 1 1 15 SER HB2 H -10.149 3.933 3.680 1.00 . A A . 15 SER HB2 1 1 3 1256 1 1 15 SER HB3 H -10.205 5.159 2.413 1.00 . A A . 15 SER HB3 1 1 3 1257 1 1 15 SER HG H -12.295 4.643 3.137 1.00 . A A . 15 SER HG 1 1 3 1258 1 1 15 SER N N -10.229 1.827 1.899 1.00 . A A . 15 SER N 1 1 3 1259 1 1 15 SER O O -7.677 2.453 2.665 1.00 . A A . 15 SER O 1 1 3 1260 1 1 15 SER OG O -11.867 3.988 2.581 1.00 . A A . 15 SER OG 1 1 3 1261 1 1 16 VAL C C -5.804 5.503 2.358 1.00 . A A . 16 VAL C 1 1 3 1262 1 1 16 VAL CA C -6.170 4.396 1.382 1.00 . A A . 16 VAL CA 1 1 3 1263 1 1 16 VAL CB C -5.534 4.754 0.028 1.00 . A A . 16 VAL CB 1 1 3 1264 1 1 16 VAL CG1 C -4.021 4.646 0.098 1.00 . A A . 16 VAL CG1 1 1 3 1265 1 1 16 VAL CG2 C -6.049 3.874 -1.078 1.00 . A A . 16 VAL CG2 1 1 3 1266 1 1 16 VAL H H -8.121 4.825 0.692 1.00 . A A . 16 VAL H 1 1 3 1267 1 1 16 VAL HA H -5.744 3.470 1.726 1.00 . A A . 16 VAL HA 1 1 3 1268 1 1 16 VAL HB H -5.798 5.772 -0.204 1.00 . A A . 16 VAL HB 1 1 3 1269 1 1 16 VAL HG11 H -3.746 4.013 0.928 1.00 . A A . 16 VAL HG11 1 1 3 1270 1 1 16 VAL HG12 H -3.601 5.624 0.234 1.00 . A A . 16 VAL HG12 1 1 3 1271 1 1 16 VAL HG13 H -3.649 4.217 -0.823 1.00 . A A . 16 VAL HG13 1 1 3 1272 1 1 16 VAL HG21 H -5.221 3.605 -1.724 1.00 . A A . 16 VAL HG21 1 1 3 1273 1 1 16 VAL HG22 H -6.795 4.415 -1.647 1.00 . A A . 16 VAL HG22 1 1 3 1274 1 1 16 VAL HG23 H -6.482 2.987 -0.648 1.00 . A A . 16 VAL HG23 1 1 3 1275 1 1 16 VAL N N -7.609 4.222 1.271 1.00 . A A . 16 VAL N 1 1 3 1276 1 1 16 VAL O O -6.232 6.646 2.208 1.00 . A A . 16 VAL O 1 1 3 1277 1 1 17 ASN C C -3.558 7.119 3.649 1.00 . A A . 17 ASN C 1 1 3 1278 1 1 17 ASN CA C -4.529 6.149 4.312 1.00 . A A . 17 ASN CA 1 1 3 1279 1 1 17 ASN CB C -3.857 5.468 5.502 1.00 . A A . 17 ASN CB 1 1 3 1280 1 1 17 ASN CG C -4.715 5.540 6.749 1.00 . A A . 17 ASN CG 1 1 3 1281 1 1 17 ASN H H -4.651 4.241 3.397 1.00 . A A . 17 ASN H 1 1 3 1282 1 1 17 ASN HA H -5.389 6.697 4.658 1.00 . A A . 17 ASN HA 1 1 3 1283 1 1 17 ASN HB2 H -3.683 4.435 5.260 1.00 . A A . 17 ASN HB2 1 1 3 1284 1 1 17 ASN HB3 H -2.908 5.952 5.710 1.00 . A A . 17 ASN HB3 1 1 3 1285 1 1 17 ASN HD21 H -3.546 6.966 7.491 1.00 . A A . 17 ASN HD21 1 1 3 1286 1 1 17 ASN HD22 H -4.881 6.499 8.484 1.00 . A A . 17 ASN HD22 1 1 3 1287 1 1 17 ASN N N -4.981 5.163 3.341 1.00 . A A . 17 ASN N 1 1 3 1288 1 1 17 ASN ND2 N -4.342 6.422 7.669 1.00 . A A . 17 ASN ND2 1 1 3 1289 1 1 17 ASN O O -3.289 8.200 4.167 1.00 . A A . 17 ASN O 1 1 3 1290 1 1 17 ASN OD1 O -5.704 4.817 6.884 1.00 . A A . 17 ASN OD1 1 1 3 1291 1 1 18 TRP C C -0.796 7.692 2.484 1.00 . A A . 18 TRP C 1 1 3 1292 1 1 18 TRP CA C -2.099 7.527 1.729 1.00 . A A . 18 TRP CA 1 1 3 1293 1 1 18 TRP CB C -2.744 8.857 1.368 1.00 . A A . 18 TRP CB 1 1 3 1294 1 1 18 TRP CD1 C -5.127 8.826 0.432 1.00 . A A . 18 TRP CD1 1 1 3 1295 1 1 18 TRP CD2 C -3.549 8.173 -0.998 1.00 . A A . 18 TRP CD2 1 1 3 1296 1 1 18 TRP CE2 C -4.788 8.097 -1.644 1.00 . A A . 18 TRP CE2 1 1 3 1297 1 1 18 TRP CE3 C -2.402 7.806 -1.691 1.00 . A A . 18 TRP CE3 1 1 3 1298 1 1 18 TRP CG C -3.783 8.659 0.316 1.00 . A A . 18 TRP CG 1 1 3 1299 1 1 18 TRP CH2 C -3.771 7.309 -3.615 1.00 . A A . 18 TRP CH2 1 1 3 1300 1 1 18 TRP CZ2 C -4.913 7.665 -2.957 1.00 . A A . 18 TRP CZ2 1 1 3 1301 1 1 18 TRP CZ3 C -2.523 7.372 -2.993 1.00 . A A . 18 TRP CZ3 1 1 3 1302 1 1 18 TRP H H -3.302 5.848 2.134 1.00 . A A . 18 TRP H 1 1 3 1303 1 1 18 TRP HA H -1.878 6.990 0.813 1.00 . A A . 18 TRP HA 1 1 3 1304 1 1 18 TRP HB2 H -3.215 9.283 2.242 1.00 . A A . 18 TRP HB2 1 1 3 1305 1 1 18 TRP HB3 H -1.995 9.534 0.988 1.00 . A A . 18 TRP HB3 1 1 3 1306 1 1 18 TRP HD1 H -5.620 9.163 1.325 1.00 . A A . 18 TRP HD1 1 1 3 1307 1 1 18 TRP HE1 H -6.705 8.554 -0.924 1.00 . A A . 18 TRP HE1 1 1 3 1308 1 1 18 TRP HE3 H -1.432 7.839 -1.215 1.00 . A A . 18 TRP HE3 1 1 3 1309 1 1 18 TRP HH2 H -3.820 6.954 -4.630 1.00 . A A . 18 TRP HH2 1 1 3 1310 1 1 18 TRP HZ2 H -5.869 7.613 -3.454 1.00 . A A . 18 TRP HZ2 1 1 3 1311 1 1 18 TRP HZ3 H -1.643 7.079 -3.547 1.00 . A A . 18 TRP HZ3 1 1 3 1312 1 1 18 TRP N N -3.039 6.714 2.489 1.00 . A A . 18 TRP N 1 1 3 1313 1 1 18 TRP NE1 N -5.741 8.502 -0.750 1.00 . A A . 18 TRP NE1 1 1 3 1314 1 1 18 TRP O O 0.247 7.244 2.014 1.00 . A A . 18 TRP O 1 1 3 1315 1 1 19 GLY C C 0.964 7.052 4.731 1.00 . A A . 19 GLY C 1 1 3 1316 1 1 19 GLY CA C 0.368 8.418 4.441 1.00 . A A . 19 GLY CA 1 1 3 1317 1 1 19 GLY H H -1.699 8.599 4.025 1.00 . A A . 19 GLY H 1 1 3 1318 1 1 19 GLY HA2 H 1.082 8.997 3.868 1.00 . A A . 19 GLY HA2 1 1 3 1319 1 1 19 GLY HA3 H 0.152 8.919 5.370 1.00 . A A . 19 GLY HA3 1 1 3 1320 1 1 19 GLY N N -0.847 8.284 3.668 1.00 . A A . 19 GLY N 1 1 3 1321 1 1 19 GLY O O 2.175 6.911 4.900 1.00 . A A . 19 GLY O 1 1 3 1322 1 1 20 GLU C C 1.134 4.132 3.691 1.00 . A A . 20 GLU C 1 1 3 1323 1 1 20 GLU CA C 0.525 4.669 4.977 1.00 . A A . 20 GLU CA 1 1 3 1324 1 1 20 GLU CB C -0.660 3.801 5.404 1.00 . A A . 20 GLU CB 1 1 3 1325 1 1 20 GLU CD C -1.418 5.088 7.451 1.00 . A A . 20 GLU CD 1 1 3 1326 1 1 20 GLU CG C -0.881 3.778 6.907 1.00 . A A . 20 GLU CG 1 1 3 1327 1 1 20 GLU H H -0.850 6.216 4.587 1.00 . A A . 20 GLU H 1 1 3 1328 1 1 20 GLU HA H 1.273 4.670 5.756 1.00 . A A . 20 GLU HA 1 1 3 1329 1 1 20 GLU HB2 H -1.556 4.176 4.930 1.00 . A A . 20 GLU HB2 1 1 3 1330 1 1 20 GLU HB3 H -0.486 2.789 5.071 1.00 . A A . 20 GLU HB3 1 1 3 1331 1 1 20 GLU HG2 H -1.586 2.999 7.139 1.00 . A A . 20 GLU HG2 1 1 3 1332 1 1 20 GLU HG3 H 0.060 3.566 7.389 1.00 . A A . 20 GLU HG3 1 1 3 1333 1 1 20 GLU N N 0.097 6.040 4.752 1.00 . A A . 20 GLU N 1 1 3 1334 1 1 20 GLU O O 2.173 3.472 3.704 1.00 . A A . 20 GLU O 1 1 3 1335 1 1 20 GLU OE1 O -1.031 6.154 6.937 1.00 . A A . 20 GLU OE1 1 1 3 1336 1 1 20 GLU OE2 O -2.233 5.048 8.399 1.00 . A A . 20 GLU OE2 1 1 3 1337 1 1 21 ALA C C 2.227 4.764 0.918 1.00 . A A . 21 ALA C 1 1 3 1338 1 1 21 ALA CA C 0.938 4.049 1.262 1.00 . A A . 21 ALA CA 1 1 3 1339 1 1 21 ALA CB C -0.110 4.392 0.224 1.00 . A A . 21 ALA CB 1 1 3 1340 1 1 21 ALA H H -0.340 5.005 2.645 1.00 . A A . 21 ALA H 1 1 3 1341 1 1 21 ALA HA H 1.099 2.982 1.262 1.00 . A A . 21 ALA HA 1 1 3 1342 1 1 21 ALA HB1 H -0.148 3.612 -0.519 1.00 . A A . 21 ALA HB1 1 1 3 1343 1 1 21 ALA HB2 H 0.154 5.328 -0.246 1.00 . A A . 21 ALA HB2 1 1 3 1344 1 1 21 ALA HB3 H -1.072 4.491 0.702 1.00 . A A . 21 ALA HB3 1 1 3 1345 1 1 21 ALA N N 0.478 4.459 2.577 1.00 . A A . 21 ALA N 1 1 3 1346 1 1 21 ALA O O 3.149 4.182 0.346 1.00 . A A . 21 ALA O 1 1 3 1347 1 1 22 PHE C C 4.659 6.204 1.737 1.00 . A A . 22 PHE C 1 1 3 1348 1 1 22 PHE CA C 3.466 6.845 1.060 1.00 . A A . 22 PHE CA 1 1 3 1349 1 1 22 PHE CB C 3.239 8.240 1.617 1.00 . A A . 22 PHE CB 1 1 3 1350 1 1 22 PHE CD1 C 4.916 9.552 0.303 1.00 . A A . 22 PHE CD1 1 1 3 1351 1 1 22 PHE CD2 C 5.082 9.543 2.674 1.00 . A A . 22 PHE CD2 1 1 3 1352 1 1 22 PHE CE1 C 6.008 10.389 0.224 1.00 . A A . 22 PHE CE1 1 1 3 1353 1 1 22 PHE CE2 C 6.180 10.375 2.603 1.00 . A A . 22 PHE CE2 1 1 3 1354 1 1 22 PHE CG C 4.442 9.125 1.529 1.00 . A A . 22 PHE CG 1 1 3 1355 1 1 22 PHE CZ C 6.639 10.802 1.376 1.00 . A A . 22 PHE CZ 1 1 3 1356 1 1 22 PHE H H 1.526 6.427 1.772 1.00 . A A . 22 PHE H 1 1 3 1357 1 1 22 PHE HA H 3.636 6.902 -0.008 1.00 . A A . 22 PHE HA 1 1 3 1358 1 1 22 PHE HB2 H 2.437 8.712 1.069 1.00 . A A . 22 PHE HB2 1 1 3 1359 1 1 22 PHE HB3 H 2.957 8.158 2.660 1.00 . A A . 22 PHE HB3 1 1 3 1360 1 1 22 PHE HD1 H 4.429 9.214 -0.598 1.00 . A A . 22 PHE HD1 1 1 3 1361 1 1 22 PHE HD2 H 4.727 9.193 3.630 1.00 . A A . 22 PHE HD2 1 1 3 1362 1 1 22 PHE HE1 H 6.371 10.718 -0.739 1.00 . A A . 22 PHE HE1 1 1 3 1363 1 1 22 PHE HE2 H 6.673 10.699 3.507 1.00 . A A . 22 PHE HE2 1 1 3 1364 1 1 22 PHE HZ H 7.493 11.459 1.319 1.00 . A A . 22 PHE HZ 1 1 3 1365 1 1 22 PHE N N 2.291 6.031 1.301 1.00 . A A . 22 PHE N 1 1 3 1366 1 1 22 PHE O O 5.771 6.216 1.214 1.00 . A A . 22 PHE O 1 1 3 1367 1 1 23 SER C C 5.802 3.653 2.934 1.00 . A A . 23 SER C 1 1 3 1368 1 1 23 SER CA C 5.429 4.940 3.666 1.00 . A A . 23 SER CA 1 1 3 1369 1 1 23 SER CB C 4.932 4.619 5.079 1.00 . A A . 23 SER CB 1 1 3 1370 1 1 23 SER H H 3.476 5.675 3.249 1.00 . A A . 23 SER H 1 1 3 1371 1 1 23 SER HA H 6.300 5.579 3.722 1.00 . A A . 23 SER HA 1 1 3 1372 1 1 23 SER HB2 H 4.329 5.439 5.441 1.00 . A A . 23 SER HB2 1 1 3 1373 1 1 23 SER HB3 H 4.336 3.720 5.052 1.00 . A A . 23 SER HB3 1 1 3 1374 1 1 23 SER HG H 6.101 3.488 6.173 1.00 . A A . 23 SER HG 1 1 3 1375 1 1 23 SER N N 4.398 5.637 2.903 1.00 . A A . 23 SER N 1 1 3 1376 1 1 23 SER O O 6.937 3.186 3.004 1.00 . A A . 23 SER O 1 1 3 1377 1 1 23 SER OG O 6.015 4.424 5.973 1.00 . A A . 23 SER OG 1 1 3 1378 1 1 24 ALA C C 5.859 2.193 0.203 1.00 . A A . 24 ALA C 1 1 3 1379 1 1 24 ALA CA C 5.029 1.882 1.437 1.00 . A A . 24 ALA CA 1 1 3 1380 1 1 24 ALA CB C 3.693 1.289 1.027 1.00 . A A . 24 ALA CB 1 1 3 1381 1 1 24 ALA H H 3.949 3.533 2.193 1.00 . A A . 24 ALA H 1 1 3 1382 1 1 24 ALA HA H 5.553 1.164 2.050 1.00 . A A . 24 ALA HA 1 1 3 1383 1 1 24 ALA HB1 H 3.352 1.774 0.124 1.00 . A A . 24 ALA HB1 1 1 3 1384 1 1 24 ALA HB2 H 2.972 1.449 1.815 1.00 . A A . 24 ALA HB2 1 1 3 1385 1 1 24 ALA HB3 H 3.805 0.230 0.849 1.00 . A A . 24 ALA HB3 1 1 3 1386 1 1 24 ALA N N 4.826 3.101 2.212 1.00 . A A . 24 ALA N 1 1 3 1387 1 1 24 ALA O O 6.813 1.486 -0.119 1.00 . A A . 24 ALA O 1 1 3 1388 1 1 25 GLY C C 7.638 4.052 -1.347 1.00 . A A . 25 GLY C 1 1 3 1389 1 1 25 GLY CA C 6.203 3.685 -1.664 1.00 . A A . 25 GLY CA 1 1 3 1390 1 1 25 GLY H H 4.714 3.791 -0.164 1.00 . A A . 25 GLY H 1 1 3 1391 1 1 25 GLY HA2 H 6.192 2.874 -2.381 1.00 . A A . 25 GLY HA2 1 1 3 1392 1 1 25 GLY HA3 H 5.709 4.541 -2.095 1.00 . A A . 25 GLY HA3 1 1 3 1393 1 1 25 GLY N N 5.484 3.270 -0.477 1.00 . A A . 25 GLY N 1 1 3 1394 1 1 25 GLY O O 8.555 3.650 -2.060 1.00 . A A . 25 GLY O 1 1 3 1395 1 1 26 VAL C C 10.038 4.008 0.453 1.00 . A A . 26 VAL C 1 1 3 1396 1 1 26 VAL CA C 9.185 5.222 0.129 1.00 . A A . 26 VAL CA 1 1 3 1397 1 1 26 VAL CB C 9.157 6.136 1.366 1.00 . A A . 26 VAL CB 1 1 3 1398 1 1 26 VAL CG1 C 10.563 6.532 1.781 1.00 . A A . 26 VAL CG1 1 1 3 1399 1 1 26 VAL CG2 C 8.322 7.360 1.092 1.00 . A A . 26 VAL CG2 1 1 3 1400 1 1 26 VAL H H 7.062 5.122 0.258 1.00 . A A . 26 VAL H 1 1 3 1401 1 1 26 VAL HA H 9.642 5.759 -0.694 1.00 . A A . 26 VAL HA 1 1 3 1402 1 1 26 VAL HB H 8.702 5.593 2.184 1.00 . A A . 26 VAL HB 1 1 3 1403 1 1 26 VAL HG11 H 11.092 5.660 2.135 1.00 . A A . 26 VAL HG11 1 1 3 1404 1 1 26 VAL HG12 H 10.510 7.267 2.571 1.00 . A A . 26 VAL HG12 1 1 3 1405 1 1 26 VAL HG13 H 11.081 6.949 0.932 1.00 . A A . 26 VAL HG13 1 1 3 1406 1 1 26 VAL HG21 H 7.411 7.062 0.597 1.00 . A A . 26 VAL HG21 1 1 3 1407 1 1 26 VAL HG22 H 8.879 8.039 0.460 1.00 . A A . 26 VAL HG22 1 1 3 1408 1 1 26 VAL HG23 H 8.088 7.845 2.028 1.00 . A A . 26 VAL HG23 1 1 3 1409 1 1 26 VAL N N 7.837 4.818 -0.273 1.00 . A A . 26 VAL N 1 1 3 1410 1 1 26 VAL O O 11.215 3.965 0.121 1.00 . A A . 26 VAL O 1 1 3 1411 1 1 27 HIS C C 10.652 1.138 0.125 1.00 . A A . 27 HIS C 1 1 3 1412 1 1 27 HIS CA C 10.173 1.795 1.411 1.00 . A A . 27 HIS CA 1 1 3 1413 1 1 27 HIS CB C 9.281 0.842 2.208 1.00 . A A . 27 HIS CB 1 1 3 1414 1 1 27 HIS CD2 C 8.343 0.769 4.622 1.00 . A A . 27 HIS CD2 1 1 3 1415 1 1 27 HIS CE1 C 8.743 2.851 5.163 1.00 . A A . 27 HIS CE1 1 1 3 1416 1 1 27 HIS CG C 8.925 1.369 3.556 1.00 . A A . 27 HIS CG 1 1 3 1417 1 1 27 HIS H H 8.491 3.075 1.313 1.00 . A A . 27 HIS H 1 1 3 1418 1 1 27 HIS HA H 11.031 2.073 2.013 1.00 . A A . 27 HIS HA 1 1 3 1419 1 1 27 HIS HB2 H 8.365 0.678 1.667 1.00 . A A . 27 HIS HB2 1 1 3 1420 1 1 27 HIS HB3 H 9.793 -0.098 2.345 1.00 . A A . 27 HIS HB3 1 1 3 1421 1 1 27 HIS HD1 H 9.572 3.361 3.371 1.00 . A A . 27 HIS HD1 1 1 3 1422 1 1 27 HIS HD2 H 8.016 -0.260 4.680 1.00 . A A . 27 HIS HD2 1 1 3 1423 1 1 27 HIS HE1 H 8.795 3.773 5.708 1.00 . A A . 27 HIS HE1 1 1 3 1424 1 1 27 HIS HE2 H 7.750 1.608 6.450 1.00 . A A . 27 HIS HE2 1 1 3 1425 1 1 27 HIS N N 9.440 3.006 1.080 1.00 . A A . 27 HIS N 1 1 3 1426 1 1 27 HIS ND1 N 9.161 2.669 3.930 1.00 . A A . 27 HIS ND1 1 1 3 1427 1 1 27 HIS NE2 N 8.240 1.715 5.609 1.00 . A A . 27 HIS NE2 1 1 3 1428 1 1 27 HIS O O 11.768 0.633 0.044 1.00 . A A . 27 HIS O 1 1 3 1429 1 1 28 ARG C C 11.091 1.491 -2.961 1.00 . A A . 28 ARG C 1 1 3 1430 1 1 28 ARG CA C 10.090 0.617 -2.194 1.00 . A A . 28 ARG CA 1 1 3 1431 1 1 28 ARG CB C 8.794 0.470 -2.995 1.00 . A A . 28 ARG CB 1 1 3 1432 1 1 28 ARG CD C 9.520 -1.462 -4.426 1.00 . A A . 28 ARG CD 1 1 3 1433 1 1 28 ARG CG C 8.992 -0.038 -4.414 1.00 . A A . 28 ARG CG 1 1 3 1434 1 1 28 ARG CZ C 11.616 -2.618 -5.012 1.00 . A A . 28 ARG CZ 1 1 3 1435 1 1 28 ARG H H 8.922 1.611 -0.744 1.00 . A A . 28 ARG H 1 1 3 1436 1 1 28 ARG HA H 10.523 -0.361 -2.047 1.00 . A A . 28 ARG HA 1 1 3 1437 1 1 28 ARG HB2 H 8.147 -0.221 -2.481 1.00 . A A . 28 ARG HB2 1 1 3 1438 1 1 28 ARG HB3 H 8.306 1.432 -3.048 1.00 . A A . 28 ARG HB3 1 1 3 1439 1 1 28 ARG HD2 H 9.340 -1.910 -3.459 1.00 . A A . 28 ARG HD2 1 1 3 1440 1 1 28 ARG HD3 H 8.992 -2.022 -5.185 1.00 . A A . 28 ARG HD3 1 1 3 1441 1 1 28 ARG HE H 11.442 -0.658 -4.684 1.00 . A A . 28 ARG HE 1 1 3 1442 1 1 28 ARG HG2 H 8.044 -0.011 -4.929 1.00 . A A . 28 ARG HG2 1 1 3 1443 1 1 28 ARG HG3 H 9.698 0.604 -4.919 1.00 . A A . 28 ARG HG3 1 1 3 1444 1 1 28 ARG HH11 H 10.008 -3.832 -4.860 1.00 . A A . 28 ARG HH11 1 1 3 1445 1 1 28 ARG HH12 H 11.492 -4.617 -5.281 1.00 . A A . 28 ARG HH12 1 1 3 1446 1 1 28 ARG HH21 H 13.395 -1.687 -5.242 1.00 . A A . 28 ARG HH21 1 1 3 1447 1 1 28 ARG HH22 H 13.416 -3.400 -5.498 1.00 . A A . 28 ARG HH22 1 1 3 1448 1 1 28 ARG N N 9.789 1.177 -0.883 1.00 . A A . 28 ARG N 1 1 3 1449 1 1 28 ARG NE N 10.951 -1.505 -4.712 1.00 . A A . 28 ARG NE 1 1 3 1450 1 1 28 ARG NH1 N 10.986 -3.785 -5.054 1.00 . A A . 28 ARG NH1 1 1 3 1451 1 1 28 ARG NH2 N 12.916 -2.564 -5.271 1.00 . A A . 28 ARG NH2 1 1 3 1452 1 1 28 ARG O O 12.046 0.983 -3.548 1.00 . A A . 28 ARG O 1 1 3 1453 1 1 29 LEU C C 13.038 3.992 -2.975 1.00 . A A . 29 LEU C 1 1 3 1454 1 1 29 LEU CA C 11.713 3.741 -3.698 1.00 . A A . 29 LEU CA 1 1 3 1455 1 1 29 LEU CB C 10.974 5.062 -3.961 1.00 . A A . 29 LEU CB 1 1 3 1456 1 1 29 LEU CD1 C 12.324 7.005 -3.125 1.00 . A A . 29 LEU CD1 1 1 3 1457 1 1 29 LEU CD2 C 9.842 6.993 -2.840 1.00 . A A . 29 LEU CD2 1 1 3 1458 1 1 29 LEU CG C 11.099 6.137 -2.879 1.00 . A A . 29 LEU CG 1 1 3 1459 1 1 29 LEU H H 10.065 3.151 -2.507 1.00 . A A . 29 LEU H 1 1 3 1460 1 1 29 LEU HA H 11.933 3.291 -4.646 1.00 . A A . 29 LEU HA 1 1 3 1461 1 1 29 LEU HB2 H 11.347 5.476 -4.887 1.00 . A A . 29 LEU HB2 1 1 3 1462 1 1 29 LEU HB3 H 9.926 4.838 -4.091 1.00 . A A . 29 LEU HB3 1 1 3 1463 1 1 29 LEU HD11 H 12.398 7.229 -4.179 1.00 . A A . 29 LEU HD11 1 1 3 1464 1 1 29 LEU HD12 H 13.210 6.479 -2.806 1.00 . A A . 29 LEU HD12 1 1 3 1465 1 1 29 LEU HD13 H 12.230 7.925 -2.568 1.00 . A A . 29 LEU HD13 1 1 3 1466 1 1 29 LEU HD21 H 9.011 6.396 -2.496 1.00 . A A . 29 LEU HD21 1 1 3 1467 1 1 29 LEU HD22 H 9.630 7.366 -3.832 1.00 . A A . 29 LEU HD22 1 1 3 1468 1 1 29 LEU HD23 H 9.992 7.824 -2.167 1.00 . A A . 29 LEU HD23 1 1 3 1469 1 1 29 LEU HG H 11.213 5.660 -1.916 1.00 . A A . 29 LEU HG 1 1 3 1470 1 1 29 LEU N N 10.849 2.805 -2.977 1.00 . A A . 29 LEU N 1 1 3 1471 1 1 29 LEU O O 14.092 4.085 -3.603 1.00 . A A . 29 LEU O 1 1 3 1472 1 1 30 ALA C C 15.037 3.163 -0.682 1.00 . A A . 30 ALA C 1 1 3 1473 1 1 30 ALA CA C 14.139 4.390 -0.841 1.00 . A A . 30 ALA CA 1 1 3 1474 1 1 30 ALA CB C 13.697 4.899 0.521 1.00 . A A . 30 ALA CB 1 1 3 1475 1 1 30 ALA H H 12.092 4.053 -1.230 1.00 . A A . 30 ALA H 1 1 3 1476 1 1 30 ALA HA H 14.706 5.175 -1.320 1.00 . A A . 30 ALA HA 1 1 3 1477 1 1 30 ALA HB1 H 14.503 5.445 0.984 1.00 . A A . 30 ALA HB1 1 1 3 1478 1 1 30 ALA HB2 H 13.421 4.061 1.144 1.00 . A A . 30 ALA HB2 1 1 3 1479 1 1 30 ALA HB3 H 12.842 5.550 0.397 1.00 . A A . 30 ALA HB3 1 1 3 1480 1 1 30 ALA N N 12.965 4.121 -1.662 1.00 . A A . 30 ALA N 1 1 3 1481 1 1 30 ALA O O 16.204 3.292 -0.317 1.00 . A A . 30 ALA O 1 1 3 1482 1 1 31 ASN C C 16.242 0.597 -1.993 1.00 . A A . 31 ASN C 1 1 3 1483 1 1 31 ASN CA C 15.281 0.754 -0.819 1.00 . A A . 31 ASN CA 1 1 3 1484 1 1 31 ASN CB C 14.359 -0.468 -0.714 1.00 . A A . 31 ASN CB 1 1 3 1485 1 1 31 ASN CG C 15.125 -1.779 -0.683 1.00 . A A . 31 ASN CG 1 1 3 1486 1 1 31 ASN H H 13.563 1.926 -1.237 1.00 . A A . 31 ASN H 1 1 3 1487 1 1 31 ASN HA H 15.859 0.833 0.091 1.00 . A A . 31 ASN HA 1 1 3 1488 1 1 31 ASN HB2 H 13.785 -0.395 0.199 1.00 . A A . 31 ASN HB2 1 1 3 1489 1 1 31 ASN HB3 H 13.686 -0.482 -1.561 1.00 . A A . 31 ASN HB3 1 1 3 1490 1 1 31 ASN HD21 H 14.808 -1.945 1.272 1.00 . A A . 31 ASN HD21 1 1 3 1491 1 1 31 ASN HD22 H 15.716 -3.223 0.548 1.00 . A A . 31 ASN HD22 1 1 3 1492 1 1 31 ASN N N 14.497 1.979 -0.951 1.00 . A A . 31 ASN N 1 1 3 1493 1 1 31 ASN ND2 N 15.226 -2.377 0.498 1.00 . A A . 31 ASN ND2 1 1 3 1494 1 1 31 ASN O O 15.959 -0.117 -2.954 1.00 . A A . 31 ASN O 1 1 3 1495 1 1 31 ASN OD1 O 15.615 -2.249 -1.711 1.00 . A A . 31 ASN OD1 1 1 3 1496 1 1 32 GLY C C 19.624 2.019 -2.605 1.00 . A A . 32 GLY C 1 1 3 1497 1 1 32 GLY CA C 18.384 1.215 -2.946 1.00 . A A . 32 GLY CA 1 1 3 1498 1 1 32 GLY H H 17.545 1.828 -1.105 1.00 . A A . 32 GLY H 1 1 3 1499 1 1 32 GLY HA2 H 18.667 0.184 -3.102 1.00 . A A . 32 GLY HA2 1 1 3 1500 1 1 32 GLY HA3 H 17.957 1.603 -3.860 1.00 . A A . 32 GLY HA3 1 1 3 1501 1 1 32 GLY N N 17.382 1.277 -1.897 1.00 . A A . 32 GLY N 1 1 3 1502 1 1 32 GLY O O 20.746 1.538 -2.763 1.00 . A A . 32 GLY O 1 1 3 1503 1 1 33 GLY C C 20.697 4.277 -0.275 1.00 . A A . 33 GLY C 1 1 3 1504 1 1 33 GLY CA C 20.538 4.103 -1.776 1.00 . A A . 33 GLY CA 1 1 3 1505 1 1 33 GLY H H 18.502 3.575 -2.028 1.00 . A A . 33 GLY H 1 1 3 1506 1 1 33 GLY HA2 H 21.448 3.678 -2.174 1.00 . A A . 33 GLY HA2 1 1 3 1507 1 1 33 GLY HA3 H 20.386 5.074 -2.223 1.00 . A A . 33 GLY HA3 1 1 3 1508 1 1 33 GLY N N 19.420 3.247 -2.133 1.00 . A A . 33 GLY N 1 1 3 1509 1 1 33 GLY O O 21.549 5.041 0.176 1.00 . A A . 33 GLY O 1 1 3 1510 1 1 34 ASN C C 20.916 2.632 2.523 1.00 . A A . 34 ASN C 1 1 3 1511 1 1 34 ASN CA C 19.945 3.662 1.957 1.00 . A A . 34 ASN CA 1 1 3 1512 1 1 34 ASN CB C 18.558 3.465 2.571 1.00 . A A . 34 ASN CB 1 1 3 1513 1 1 34 ASN CG C 18.515 3.855 4.036 1.00 . A A . 34 ASN CG 1 1 3 1514 1 1 34 ASN H H 19.217 2.977 0.092 1.00 . A A . 34 ASN H 1 1 3 1515 1 1 34 ASN HA H 20.301 4.649 2.209 1.00 . A A . 34 ASN HA 1 1 3 1516 1 1 34 ASN HB2 H 17.842 4.071 2.036 1.00 . A A . 34 ASN HB2 1 1 3 1517 1 1 34 ASN HB3 H 18.278 2.424 2.487 1.00 . A A . 34 ASN HB3 1 1 3 1518 1 1 34 ASN HD21 H 16.855 4.907 3.733 1.00 . A A . 34 ASN HD21 1 1 3 1519 1 1 34 ASN HD22 H 17.455 4.901 5.353 1.00 . A A . 34 ASN HD22 1 1 3 1520 1 1 34 ASN N N 19.878 3.571 0.502 1.00 . A A . 34 ASN N 1 1 3 1521 1 1 34 ASN ND2 N 17.507 4.633 4.412 1.00 . A A . 34 ASN ND2 1 1 3 1522 1 1 34 ASN O O 21.753 2.953 3.369 1.00 . A A . 34 ASN O 1 1 3 1523 1 1 34 ASN OD1 O 19.378 3.462 4.821 1.00 . A A . 34 ASN OD1 1 1 3 1524 1 1 35 GLY C C 21.166 -1.048 2.211 1.00 . A A . 35 GLY C 1 1 3 1525 1 1 35 GLY CA C 21.680 0.341 2.533 1.00 . A A . 35 GLY CA 1 1 3 1526 1 1 35 GLY H H 20.115 1.191 1.385 1.00 . A A . 35 GLY H 1 1 3 1527 1 1 35 GLY HA2 H 22.651 0.468 2.080 1.00 . A A . 35 GLY HA2 1 1 3 1528 1 1 35 GLY HA3 H 21.781 0.434 3.605 1.00 . A A . 35 GLY HA3 1 1 3 1529 1 1 35 GLY N N 20.801 1.393 2.056 1.00 . A A . 35 GLY N 1 1 3 1530 1 1 35 GLY O O 20.046 -1.405 2.578 1.00 . A A . 35 GLY O 1 1 3 1531 1 1 36 PHE C C 20.582 -3.230 0.054 1.00 . A A . 36 PHE C 1 1 3 1532 1 1 36 PHE CA C 21.633 -3.210 1.172 1.00 . A A . 36 PHE CA 1 1 3 1533 1 1 36 PHE CB C 21.139 -3.961 2.416 1.00 . A A . 36 PHE CB 1 1 3 1534 1 1 36 PHE CD1 C 22.433 -6.050 1.891 1.00 . A A . 36 PHE CD1 1 1 3 1535 1 1 36 PHE CD2 C 22.496 -5.208 4.121 1.00 . A A . 36 PHE CD2 1 1 3 1536 1 1 36 PHE CE1 C 23.267 -7.089 2.257 1.00 . A A . 36 PHE CE1 1 1 3 1537 1 1 36 PHE CE2 C 23.328 -6.245 4.493 1.00 . A A . 36 PHE CE2 1 1 3 1538 1 1 36 PHE CG C 22.037 -5.098 2.818 1.00 . A A . 36 PHE CG 1 1 3 1539 1 1 36 PHE CZ C 23.715 -7.187 3.560 1.00 . A A . 36 PHE CZ 1 1 3 1540 1 1 36 PHE H H 22.876 -1.503 1.281 1.00 . A A . 36 PHE H 1 1 3 1541 1 1 36 PHE HA H 22.526 -3.695 0.808 1.00 . A A . 36 PHE HA 1 1 3 1542 1 1 36 PHE HB2 H 21.093 -3.273 3.246 1.00 . A A . 36 PHE HB2 1 1 3 1543 1 1 36 PHE HB3 H 20.156 -4.357 2.234 1.00 . A A . 36 PHE HB3 1 1 3 1544 1 1 36 PHE HD1 H 22.083 -5.975 0.872 1.00 . A A . 36 PHE HD1 1 1 3 1545 1 1 36 PHE HD2 H 22.194 -4.472 4.853 1.00 . A A . 36 PHE HD2 1 1 3 1546 1 1 36 PHE HE1 H 23.567 -7.824 1.526 1.00 . A A . 36 PHE HE1 1 1 3 1547 1 1 36 PHE HE2 H 23.678 -6.320 5.513 1.00 . A A . 36 PHE HE2 1 1 3 1548 1 1 36 PHE HZ H 24.367 -7.998 3.848 1.00 . A A . 36 PHE HZ 1 1 3 1549 1 1 36 PHE N N 21.995 -1.843 1.534 1.00 . A A . 36 PHE N 1 1 3 1550 1 1 36 PHE O O 20.477 -2.279 -0.722 1.00 . A A . 36 PHE O 1 1 3 1551 1 1 37 TRP C C 17.688 -5.413 -0.587 1.00 . A A . 37 TRP C 1 1 3 1552 1 1 37 TRP CA C 18.780 -4.458 -1.061 1.00 . A A . 37 TRP CA 1 1 3 1553 1 1 37 TRP CB C 19.387 -4.996 -2.364 1.00 . A A . 37 TRP CB 1 1 3 1554 1 1 37 TRP CD1 C 18.869 -2.899 -3.755 1.00 . A A . 37 TRP CD1 1 1 3 1555 1 1 37 TRP CD2 C 20.848 -3.844 -4.206 1.00 . A A . 37 TRP CD2 1 1 3 1556 1 1 37 TRP CE2 C 20.695 -2.714 -5.031 1.00 . A A . 37 TRP CE2 1 1 3 1557 1 1 37 TRP CE3 C 22.017 -4.601 -4.310 1.00 . A A . 37 TRP CE3 1 1 3 1558 1 1 37 TRP CG C 19.673 -3.941 -3.393 1.00 . A A . 37 TRP CG 1 1 3 1559 1 1 37 TRP CH2 C 22.803 -3.087 -6.030 1.00 . A A . 37 TRP CH2 1 1 3 1560 1 1 37 TRP CZ2 C 21.668 -2.326 -5.949 1.00 . A A . 37 TRP CZ2 1 1 3 1561 1 1 37 TRP CZ3 C 22.982 -4.216 -5.221 1.00 . A A . 37 TRP CZ3 1 1 3 1562 1 1 37 TRP H H 19.948 -5.050 0.602 1.00 . A A . 37 TRP H 1 1 3 1563 1 1 37 TRP HA H 18.347 -3.484 -1.241 1.00 . A A . 37 TRP HA 1 1 3 1564 1 1 37 TRP HB2 H 20.316 -5.496 -2.139 1.00 . A A . 37 TRP HB2 1 1 3 1565 1 1 37 TRP HB3 H 18.702 -5.709 -2.802 1.00 . A A . 37 TRP HB3 1 1 3 1566 1 1 37 TRP HD1 H 17.901 -2.697 -3.322 1.00 . A A . 37 TRP HD1 1 1 3 1567 1 1 37 TRP HE1 H 19.105 -1.351 -5.159 1.00 . A A . 37 TRP HE1 1 1 3 1568 1 1 37 TRP HE3 H 22.173 -5.475 -3.694 1.00 . A A . 37 TRP HE3 1 1 3 1569 1 1 37 TRP HH2 H 23.583 -2.824 -6.729 1.00 . A A . 37 TRP HH2 1 1 3 1570 1 1 37 TRP HZ2 H 21.545 -1.459 -6.581 1.00 . A A . 37 TRP HZ2 1 1 3 1571 1 1 37 TRP HZ3 H 23.892 -4.791 -5.316 1.00 . A A . 37 TRP HZ3 1 1 3 1572 1 1 37 TRP N N 19.814 -4.318 -0.033 1.00 . A A . 37 TRP N 1 1 3 1573 1 1 37 TRP NE1 N 19.479 -2.153 -4.737 1.00 . A A . 37 TRP NE1 1 1 3 1574 1 1 37 TRP O O 17.996 -6.605 -0.374 1.00 . A A . 37 TRP O 1 1 3 1575 1 1 37 TRP OXT O 16.534 -4.960 -0.432 1.00 . A A . 37 TRP OXT 1 1 4 1576 1 1 1 LYS C C -6.790 -4.404 6.682 1.00 . A A . 1 LYS C 1 1 4 1577 1 1 1 LYS CA C -7.782 -5.189 7.529 1.00 . A A . 1 LYS CA 1 1 4 1578 1 1 1 LYS CB C -8.663 -6.067 6.627 1.00 . A A . 1 LYS CB 1 1 4 1579 1 1 1 LYS CD C -10.911 -6.170 5.493 1.00 . A A . 1 LYS CD 1 1 4 1580 1 1 1 LYS CE C -10.517 -7.245 4.492 1.00 . A A . 1 LYS CE 1 1 4 1581 1 1 1 LYS CG C -9.728 -5.290 5.867 1.00 . A A . 1 LYS CG 1 1 4 1582 1 1 1 LYS HA H -7.237 -5.818 8.214 1.00 . A A . 1 LYS HA 1 1 4 1583 1 1 1 LYS HB2 H -8.032 -6.567 5.907 1.00 . A A . 1 LYS HB2 1 1 4 1584 1 1 1 LYS HB3 H -9.155 -6.809 7.236 1.00 . A A . 1 LYS HB3 1 1 4 1585 1 1 1 LYS HD2 H -11.293 -6.646 6.383 1.00 . A A . 1 LYS HD2 1 1 4 1586 1 1 1 LYS HD3 H -11.680 -5.552 5.054 1.00 . A A . 1 LYS HD3 1 1 4 1587 1 1 1 LYS HE2 H -9.447 -7.218 4.352 1.00 . A A . 1 LYS HE2 1 1 4 1588 1 1 1 LYS HE3 H -10.806 -8.209 4.884 1.00 . A A . 1 LYS HE3 1 1 4 1589 1 1 1 LYS HG2 H -10.081 -4.480 6.486 1.00 . A A . 1 LYS HG2 1 1 4 1590 1 1 1 LYS HG3 H -9.291 -4.891 4.963 1.00 . A A . 1 LYS HG3 1 1 4 1591 1 1 1 LYS HZ1 H -12.197 -6.858 3.314 1.00 . A A . 1 LYS HZ1 1 1 4 1592 1 1 1 LYS HZ2 H -11.070 -7.884 2.580 1.00 . A A . 1 LYS HZ2 1 1 4 1593 1 1 1 LYS HZ3 H -10.759 -6.224 2.686 1.00 . A A . 1 LYS HZ3 1 1 4 1594 1 1 1 LYS N N -8.652 -4.278 8.316 1.00 . A A . 1 LYS N 1 1 4 1595 1 1 1 LYS NZ N -11.182 -7.038 3.176 1.00 . A A . 1 LYS NZ 1 1 4 1596 1 1 1 LYS O O -7.154 -3.843 5.654 1.00 . A A . 1 LYS O 1 1 4 1597 1 1 2 TYR C C -4.011 -4.467 5.200 1.00 . A A . 2 TYR C 1 1 4 1598 1 1 2 TYR CA C -4.511 -3.640 6.374 1.00 . A A . 2 TYR CA 1 1 4 1599 1 1 2 TYR CB C -3.336 -3.278 7.263 1.00 . A A . 2 TYR CB 1 1 4 1600 1 1 2 TYR CD1 C -3.720 -0.864 7.723 1.00 . A A . 2 TYR CD1 1 1 4 1601 1 1 2 TYR CD2 C -1.813 -1.453 6.442 1.00 . A A . 2 TYR CD2 1 1 4 1602 1 1 2 TYR CE1 C -3.379 0.468 7.628 1.00 . A A . 2 TYR CE1 1 1 4 1603 1 1 2 TYR CE2 C -1.463 -0.130 6.332 1.00 . A A . 2 TYR CE2 1 1 4 1604 1 1 2 TYR CG C -2.947 -1.836 7.137 1.00 . A A . 2 TYR CG 1 1 4 1605 1 1 2 TYR CZ C -2.248 0.832 6.929 1.00 . A A . 2 TYR CZ 1 1 4 1606 1 1 2 TYR H H -5.289 -4.822 7.944 1.00 . A A . 2 TYR H 1 1 4 1607 1 1 2 TYR HA H -4.959 -2.723 6.009 1.00 . A A . 2 TYR HA 1 1 4 1608 1 1 2 TYR HB2 H -3.595 -3.464 8.293 1.00 . A A . 2 TYR HB2 1 1 4 1609 1 1 2 TYR HB3 H -2.483 -3.876 6.987 1.00 . A A . 2 TYR HB3 1 1 4 1610 1 1 2 TYR HD1 H -4.614 -1.166 8.251 1.00 . A A . 2 TYR HD1 1 1 4 1611 1 1 2 TYR HD2 H -1.203 -2.206 5.973 1.00 . A A . 2 TYR HD2 1 1 4 1612 1 1 2 TYR HE1 H -3.997 1.218 8.096 1.00 . A A . 2 TYR HE1 1 1 4 1613 1 1 2 TYR HE2 H -0.577 0.146 5.779 1.00 . A A . 2 TYR HE2 1 1 4 1614 1 1 2 TYR HH H -2.354 2.560 6.095 1.00 . A A . 2 TYR HH 1 1 4 1615 1 1 2 TYR N N -5.531 -4.366 7.114 1.00 . A A . 2 TYR N 1 1 4 1616 1 1 2 TYR O O -3.851 -5.683 5.304 1.00 . A A . 2 TYR O 1 1 4 1617 1 1 2 TYR OH O -1.898 2.160 6.834 1.00 . A A . 2 TYR OH 1 1 4 1618 1 1 3 TYR C C -1.786 -4.264 2.688 1.00 . A A . 3 TYR C 1 1 4 1619 1 1 3 TYR CA C -3.286 -4.467 2.885 1.00 . A A . 3 TYR CA 1 1 4 1620 1 1 3 TYR CB C -4.074 -3.929 1.690 1.00 . A A . 3 TYR CB 1 1 4 1621 1 1 3 TYR CD1 C -6.287 -4.949 2.271 1.00 . A A . 3 TYR CD1 1 1 4 1622 1 1 3 TYR CD2 C -5.354 -5.448 0.146 1.00 . A A . 3 TYR CD2 1 1 4 1623 1 1 3 TYR CE1 C -7.365 -5.766 2.001 1.00 . A A . 3 TYR CE1 1 1 4 1624 1 1 3 TYR CE2 C -6.433 -6.262 -0.142 1.00 . A A . 3 TYR CE2 1 1 4 1625 1 1 3 TYR CG C -5.268 -4.781 1.351 1.00 . A A . 3 TYR CG 1 1 4 1626 1 1 3 TYR CZ C -7.434 -6.421 0.795 1.00 . A A . 3 TYR CZ 1 1 4 1627 1 1 3 TYR H H -3.901 -2.828 4.071 1.00 . A A . 3 TYR H 1 1 4 1628 1 1 3 TYR HA H -3.486 -5.527 2.987 1.00 . A A . 3 TYR HA 1 1 4 1629 1 1 3 TYR HB2 H -4.435 -2.944 1.936 1.00 . A A . 3 TYR HB2 1 1 4 1630 1 1 3 TYR HB3 H -3.434 -3.878 0.820 1.00 . A A . 3 TYR HB3 1 1 4 1631 1 1 3 TYR HD1 H -6.228 -4.423 3.214 1.00 . A A . 3 TYR HD1 1 1 4 1632 1 1 3 TYR HD2 H -4.567 -5.308 -0.584 1.00 . A A . 3 TYR HD2 1 1 4 1633 1 1 3 TYR HE1 H -8.152 -5.886 2.734 1.00 . A A . 3 TYR HE1 1 1 4 1634 1 1 3 TYR HE2 H -6.487 -6.776 -1.090 1.00 . A A . 3 TYR HE2 1 1 4 1635 1 1 3 TYR HH H -9.306 -6.845 0.893 1.00 . A A . 3 TYR HH 1 1 4 1636 1 1 3 TYR N N -3.760 -3.800 4.088 1.00 . A A . 3 TYR N 1 1 4 1637 1 1 3 TYR O O -1.308 -4.184 1.556 1.00 . A A . 3 TYR O 1 1 4 1638 1 1 3 TYR OH O -8.510 -7.236 0.523 1.00 . A A . 3 TYR OH 1 1 4 1639 1 1 4 GLY C C 0.793 -2.928 2.680 1.00 . A A . 4 GLY C 1 1 4 1640 1 1 4 GLY CA C 0.392 -3.946 3.738 1.00 . A A . 4 GLY CA 1 1 4 1641 1 1 4 GLY H H -1.494 -4.212 4.671 1.00 . A A . 4 GLY H 1 1 4 1642 1 1 4 GLY HA2 H 0.728 -3.594 4.704 1.00 . A A . 4 GLY HA2 1 1 4 1643 1 1 4 GLY HA3 H 0.879 -4.890 3.524 1.00 . A A . 4 GLY HA3 1 1 4 1644 1 1 4 GLY N N -1.050 -4.157 3.799 1.00 . A A . 4 GLY N 1 1 4 1645 1 1 4 GLY O O 1.928 -2.930 2.201 1.00 . A A . 4 GLY O 1 1 4 1646 1 1 5 ASN C C -0.765 0.176 1.641 1.00 . A A . 5 ASN C 1 1 4 1647 1 1 5 ASN CA C 0.076 -1.042 1.308 1.00 . A A . 5 ASN CA 1 1 4 1648 1 1 5 ASN CB C -0.299 -1.575 -0.079 1.00 . A A . 5 ASN CB 1 1 4 1649 1 1 5 ASN CG C 0.871 -2.242 -0.780 1.00 . A A . 5 ASN CG 1 1 4 1650 1 1 5 ASN H H -1.033 -2.123 2.732 1.00 . A A . 5 ASN H 1 1 4 1651 1 1 5 ASN HA H 1.121 -0.769 1.322 1.00 . A A . 5 ASN HA 1 1 4 1652 1 1 5 ASN HB2 H -1.092 -2.300 0.027 1.00 . A A . 5 ASN HB2 1 1 4 1653 1 1 5 ASN HB3 H -0.646 -0.755 -0.692 1.00 . A A . 5 ASN HB3 1 1 4 1654 1 1 5 ASN HD21 H 0.103 -4.042 -0.418 1.00 . A A . 5 ASN HD21 1 1 4 1655 1 1 5 ASN HD22 H 1.603 -4.024 -1.276 1.00 . A A . 5 ASN HD22 1 1 4 1656 1 1 5 ASN N N -0.151 -2.069 2.312 1.00 . A A . 5 ASN N 1 1 4 1657 1 1 5 ASN ND2 N 0.857 -3.571 -0.828 1.00 . A A . 5 ASN ND2 1 1 4 1658 1 1 5 ASN O O -1.357 0.799 0.760 1.00 . A A . 5 ASN O 1 1 4 1659 1 1 5 ASN OD1 O 1.776 -1.570 -1.272 1.00 . A A . 5 ASN OD1 1 1 4 1660 1 1 6 GLY C C -3.073 1.511 2.787 1.00 . A A . 6 GLY C 1 1 4 1661 1 1 6 GLY CA C -1.671 1.597 3.356 1.00 . A A . 6 GLY CA 1 1 4 1662 1 1 6 GLY H H -0.394 -0.069 3.592 1.00 . A A . 6 GLY H 1 1 4 1663 1 1 6 GLY HA2 H -1.727 1.600 4.435 1.00 . A A . 6 GLY HA2 1 1 4 1664 1 1 6 GLY HA3 H -1.215 2.514 3.026 1.00 . A A . 6 GLY HA3 1 1 4 1665 1 1 6 GLY N N -0.856 0.484 2.928 1.00 . A A . 6 GLY N 1 1 4 1666 1 1 6 GLY O O -3.595 2.490 2.262 1.00 . A A . 6 GLY O 1 1 4 1667 1 1 7 VAL C C -5.837 -0.794 3.260 1.00 . A A . 7 VAL C 1 1 4 1668 1 1 7 VAL CA C -5.030 0.128 2.363 1.00 . A A . 7 VAL CA 1 1 4 1669 1 1 7 VAL CB C -5.043 -0.468 0.946 1.00 . A A . 7 VAL CB 1 1 4 1670 1 1 7 VAL CG1 C -6.453 -0.866 0.577 1.00 . A A . 7 VAL CG1 1 1 4 1671 1 1 7 VAL CG2 C -4.528 0.517 -0.067 1.00 . A A . 7 VAL CG2 1 1 4 1672 1 1 7 VAL H H -3.211 -0.421 3.302 1.00 . A A . 7 VAL H 1 1 4 1673 1 1 7 VAL HA H -5.519 1.088 2.324 1.00 . A A . 7 VAL HA 1 1 4 1674 1 1 7 VAL HB H -4.416 -1.347 0.929 1.00 . A A . 7 VAL HB 1 1 4 1675 1 1 7 VAL HG11 H -6.695 -1.804 1.045 1.00 . A A . 7 VAL HG11 1 1 4 1676 1 1 7 VAL HG12 H -6.529 -0.959 -0.496 1.00 . A A . 7 VAL HG12 1 1 4 1677 1 1 7 VAL HG13 H -7.131 -0.098 0.925 1.00 . A A . 7 VAL HG13 1 1 4 1678 1 1 7 VAL HG21 H -4.075 -0.020 -0.884 1.00 . A A . 7 VAL HG21 1 1 4 1679 1 1 7 VAL HG22 H -3.805 1.166 0.395 1.00 . A A . 7 VAL HG22 1 1 4 1680 1 1 7 VAL HG23 H -5.359 1.102 -0.434 1.00 . A A . 7 VAL HG23 1 1 4 1681 1 1 7 VAL N N -3.680 0.330 2.879 1.00 . A A . 7 VAL N 1 1 4 1682 1 1 7 VAL O O -5.621 -2.007 3.276 1.00 . A A . 7 VAL O 1 1 4 1683 1 1 8 HIS C C -9.050 -1.004 4.247 1.00 . A A . 8 HIS C 1 1 4 1684 1 1 8 HIS CA C -7.655 -0.979 4.845 1.00 . A A . 8 HIS CA 1 1 4 1685 1 1 8 HIS CB C -7.704 -0.393 6.264 1.00 . A A . 8 HIS CB 1 1 4 1686 1 1 8 HIS CD2 C -5.589 1.072 5.984 1.00 . A A . 8 HIS CD2 1 1 4 1687 1 1 8 HIS CE1 C -6.186 2.732 7.284 1.00 . A A . 8 HIS CE1 1 1 4 1688 1 1 8 HIS CG C -6.816 0.788 6.475 1.00 . A A . 8 HIS CG 1 1 4 1689 1 1 8 HIS H H -6.922 0.753 3.897 1.00 . A A . 8 HIS H 1 1 4 1690 1 1 8 HIS HA H -7.271 -1.982 4.887 1.00 . A A . 8 HIS HA 1 1 4 1691 1 1 8 HIS HB2 H -8.714 -0.082 6.482 1.00 . A A . 8 HIS HB2 1 1 4 1692 1 1 8 HIS HB3 H -7.411 -1.158 6.969 1.00 . A A . 8 HIS HB3 1 1 4 1693 1 1 8 HIS HD1 H -7.996 1.933 7.785 1.00 . A A . 8 HIS HD1 1 1 4 1694 1 1 8 HIS HD2 H -4.998 0.443 5.327 1.00 . A A . 8 HIS HD2 1 1 4 1695 1 1 8 HIS HE1 H -6.182 3.663 7.827 1.00 . A A . 8 HIS HE1 1 1 4 1696 1 1 8 HIS HE2 H -4.403 2.777 6.276 1.00 . A A . 8 HIS HE2 1 1 4 1697 1 1 8 HIS N N -6.786 -0.214 3.976 1.00 . A A . 8 HIS N 1 1 4 1698 1 1 8 HIS ND1 N -7.161 1.846 7.284 1.00 . A A . 8 HIS ND1 1 1 4 1699 1 1 8 HIS NE2 N -5.219 2.286 6.503 1.00 . A A . 8 HIS NE2 1 1 4 1700 1 1 8 HIS O O -9.435 -0.084 3.537 1.00 . A A . 8 HIS O 1 1 4 1701 1 1 9 CYS C C -12.147 -2.221 5.119 1.00 . A A . 9 CYS C 1 1 4 1702 1 1 9 CYS CA C -11.150 -2.146 3.983 1.00 . A A . 9 CYS CA 1 1 4 1703 1 1 9 CYS CB C -11.289 -3.337 3.045 1.00 . A A . 9 CYS CB 1 1 4 1704 1 1 9 CYS H H -9.452 -2.773 5.082 1.00 . A A . 9 CYS H 1 1 4 1705 1 1 9 CYS HA H -11.334 -1.244 3.431 1.00 . A A . 9 CYS HA 1 1 4 1706 1 1 9 CYS HB2 H -10.318 -3.782 2.902 1.00 . A A . 9 CYS HB2 1 1 4 1707 1 1 9 CYS HB3 H -11.953 -4.061 3.487 1.00 . A A . 9 CYS HB3 1 1 4 1708 1 1 9 CYS N N -9.804 -2.053 4.517 1.00 . A A . 9 CYS N 1 1 4 1709 1 1 9 CYS O O -12.658 -3.289 5.457 1.00 . A A . 9 CYS O 1 1 4 1710 1 1 9 CYS SG S -11.947 -2.903 1.402 1.00 . A A . 9 CYS SG 1 1 4 1711 1 1 10 THR C C -14.747 -0.617 6.355 1.00 . A A . 10 THR C 1 1 4 1712 1 1 10 THR CA C -13.338 -0.966 6.823 1.00 . A A . 10 THR CA 1 1 4 1713 1 1 10 THR CB C -12.852 0.086 7.837 1.00 . A A . 10 THR CB 1 1 4 1714 1 1 10 THR CG2 C -11.360 0.357 7.777 1.00 . A A . 10 THR CG2 1 1 4 1715 1 1 10 THR H H -11.966 -0.252 5.378 1.00 . A A . 10 THR H 1 1 4 1716 1 1 10 THR HA H -13.371 -1.928 7.305 1.00 . A A . 10 THR HA 1 1 4 1717 1 1 10 THR HB H -13.086 -0.259 8.833 1.00 . A A . 10 THR HB 1 1 4 1718 1 1 10 THR HG1 H -13.257 1.677 6.773 1.00 . A A . 10 THR HG1 1 1 4 1719 1 1 10 THR HG21 H -11.112 0.792 6.820 1.00 . A A . 10 THR HG21 1 1 4 1720 1 1 10 THR HG22 H -10.817 -0.568 7.905 1.00 . A A . 10 THR HG22 1 1 4 1721 1 1 10 THR HG23 H -11.087 1.046 8.564 1.00 . A A . 10 THR HG23 1 1 4 1722 1 1 10 THR N N -12.414 -1.064 5.705 1.00 . A A . 10 THR N 1 1 4 1723 1 1 10 THR O O -14.937 0.259 5.513 1.00 . A A . 10 THR O 1 1 4 1724 1 1 10 THR OG1 O -13.508 1.324 7.630 1.00 . A A . 10 THR OG1 1 1 4 1725 1 1 11 LYS C C -17.549 -1.898 5.366 1.00 . A A . 11 LYS C 1 1 4 1726 1 1 11 LYS CA C -17.139 -1.142 6.622 1.00 . A A . 11 LYS CA 1 1 4 1727 1 1 11 LYS CB C -17.497 0.345 6.486 1.00 . A A . 11 LYS CB 1 1 4 1728 1 1 11 LYS CD C -18.851 1.137 8.435 1.00 . A A . 11 LYS CD 1 1 4 1729 1 1 11 LYS CE C -19.623 2.374 8.005 1.00 . A A . 11 LYS CE 1 1 4 1730 1 1 11 LYS CG C -17.474 1.094 7.797 1.00 . A A . 11 LYS CG 1 1 4 1731 1 1 11 LYS H H -15.473 -2.009 7.581 1.00 . A A . 11 LYS H 1 1 4 1732 1 1 11 LYS HA H -17.695 -1.551 7.452 1.00 . A A . 11 LYS HA 1 1 4 1733 1 1 11 LYS HB2 H -16.800 0.824 5.820 1.00 . A A . 11 LYS HB2 1 1 4 1734 1 1 11 LYS HB3 H -18.489 0.425 6.070 1.00 . A A . 11 LYS HB3 1 1 4 1735 1 1 11 LYS HD2 H -19.404 0.259 8.135 1.00 . A A . 11 LYS HD2 1 1 4 1736 1 1 11 LYS HD3 H -18.741 1.147 9.510 1.00 . A A . 11 LYS HD3 1 1 4 1737 1 1 11 LYS HE2 H -18.923 3.179 7.834 1.00 . A A . 11 LYS HE2 1 1 4 1738 1 1 11 LYS HE3 H -20.149 2.154 7.088 1.00 . A A . 11 LYS HE3 1 1 4 1739 1 1 11 LYS HG2 H -16.790 0.601 8.466 1.00 . A A . 11 LYS HG2 1 1 4 1740 1 1 11 LYS HG3 H -17.139 2.100 7.607 1.00 . A A . 11 LYS HG3 1 1 4 1741 1 1 11 LYS HZ1 H -20.133 2.910 9.957 1.00 . A A . 11 LYS HZ1 1 1 4 1742 1 1 11 LYS HZ2 H -21.358 2.087 9.131 1.00 . A A . 11 LYS HZ2 1 1 4 1743 1 1 11 LYS HZ3 H -21.038 3.708 8.769 1.00 . A A . 11 LYS HZ3 1 1 4 1744 1 1 11 LYS N N -15.720 -1.331 6.924 1.00 . A A . 11 LYS N 1 1 4 1745 1 1 11 LYS NZ N -20.607 2.800 9.038 1.00 . A A . 11 LYS NZ 1 1 4 1746 1 1 11 LYS O O -17.974 -3.051 5.427 1.00 . A A . 11 LYS O 1 1 4 1747 1 1 12 SER C C -16.951 -1.269 1.811 1.00 . A A . 12 SER C 1 1 4 1748 1 1 12 SER CA C -17.798 -1.824 2.949 1.00 . A A . 12 SER CA 1 1 4 1749 1 1 12 SER CB C -19.279 -1.582 2.653 1.00 . A A . 12 SER CB 1 1 4 1750 1 1 12 SER H H -17.087 -0.309 4.261 1.00 . A A . 12 SER H 1 1 4 1751 1 1 12 SER HA H -17.628 -2.888 3.019 1.00 . A A . 12 SER HA 1 1 4 1752 1 1 12 SER HB2 H -19.455 -1.705 1.594 1.00 . A A . 12 SER HB2 1 1 4 1753 1 1 12 SER HB3 H -19.875 -2.295 3.202 1.00 . A A . 12 SER HB3 1 1 4 1754 1 1 12 SER HG H -19.689 0.291 2.252 1.00 . A A . 12 SER HG 1 1 4 1755 1 1 12 SER N N -17.429 -1.230 4.231 1.00 . A A . 12 SER N 1 1 4 1756 1 1 12 SER O O -17.339 -1.342 0.646 1.00 . A A . 12 SER O 1 1 4 1757 1 1 12 SER OG O -19.670 -0.272 3.029 1.00 . A A . 12 SER OG 1 1 4 1758 1 1 13 GLY C C -13.486 -0.096 1.620 1.00 . A A . 13 GLY C 1 1 4 1759 1 1 13 GLY CA C -14.917 -0.161 1.141 1.00 . A A . 13 GLY CA 1 1 4 1760 1 1 13 GLY H H -15.533 -0.687 3.094 1.00 . A A . 13 GLY H 1 1 4 1761 1 1 13 GLY HA2 H -14.961 -0.779 0.259 1.00 . A A . 13 GLY HA2 1 1 4 1762 1 1 13 GLY HA3 H -15.251 0.835 0.891 1.00 . A A . 13 GLY HA3 1 1 4 1763 1 1 13 GLY N N -15.796 -0.716 2.150 1.00 . A A . 13 GLY N 1 1 4 1764 1 1 13 GLY O O -13.225 -0.121 2.824 1.00 . A A . 13 GLY O 1 1 4 1765 1 1 14 CYS C C -10.698 1.509 1.163 1.00 . A A . 14 CYS C 1 1 4 1766 1 1 14 CYS CA C -11.153 0.067 1.056 1.00 . A A . 14 CYS CA 1 1 4 1767 1 1 14 CYS CB C -10.274 -0.702 0.078 1.00 . A A . 14 CYS CB 1 1 4 1768 1 1 14 CYS H H -12.806 0.011 -0.257 1.00 . A A . 14 CYS H 1 1 4 1769 1 1 14 CYS HA H -11.055 -0.372 2.025 1.00 . A A . 14 CYS HA 1 1 4 1770 1 1 14 CYS HB2 H -10.601 -0.496 -0.927 1.00 . A A . 14 CYS HB2 1 1 4 1771 1 1 14 CYS HB3 H -9.260 -0.365 0.200 1.00 . A A . 14 CYS HB3 1 1 4 1772 1 1 14 CYS N N -12.550 -0.008 0.689 1.00 . A A . 14 CYS N 1 1 4 1773 1 1 14 CYS O O -10.963 2.335 0.291 1.00 . A A . 14 CYS O 1 1 4 1774 1 1 14 CYS SG S -10.282 -2.515 0.304 1.00 . A A . 14 CYS SG 1 1 4 1775 1 1 15 SER C C -7.985 3.123 2.434 1.00 . A A . 15 SER C 1 1 4 1776 1 1 15 SER CA C -9.495 3.121 2.527 1.00 . A A . 15 SER CA 1 1 4 1777 1 1 15 SER CB C -9.937 3.585 3.916 1.00 . A A . 15 SER CB 1 1 4 1778 1 1 15 SER H H -9.830 1.067 2.899 1.00 . A A . 15 SER H 1 1 4 1779 1 1 15 SER HA H -9.895 3.795 1.783 1.00 . A A . 15 SER HA 1 1 4 1780 1 1 15 SER HB2 H -9.517 2.929 4.663 1.00 . A A . 15 SER HB2 1 1 4 1781 1 1 15 SER HB3 H -9.586 4.594 4.085 1.00 . A A . 15 SER HB3 1 1 4 1782 1 1 15 SER HG H -11.682 2.714 3.750 1.00 . A A . 15 SER HG 1 1 4 1783 1 1 15 SER N N -10.008 1.789 2.254 1.00 . A A . 15 SER N 1 1 4 1784 1 1 15 SER O O -7.378 2.097 2.126 1.00 . A A . 15 SER O 1 1 4 1785 1 1 15 SER OG O -11.348 3.566 4.035 1.00 . A A . 15 SER OG 1 1 4 1786 1 1 16 VAL C C -5.454 5.410 3.677 1.00 . A A . 16 VAL C 1 1 4 1787 1 1 16 VAL CA C -5.943 4.402 2.651 1.00 . A A . 16 VAL CA 1 1 4 1788 1 1 16 VAL CB C -5.436 4.836 1.266 1.00 . A A . 16 VAL CB 1 1 4 1789 1 1 16 VAL CG1 C -3.921 4.936 1.261 1.00 . A A . 16 VAL CG1 1 1 4 1790 1 1 16 VAL CG2 C -5.875 3.863 0.202 1.00 . A A . 16 VAL CG2 1 1 4 1791 1 1 16 VAL H H -7.925 5.056 2.924 1.00 . A A . 16 VAL H 1 1 4 1792 1 1 16 VAL HA H -5.519 3.437 2.876 1.00 . A A . 16 VAL HA 1 1 4 1793 1 1 16 VAL HB H -5.852 5.805 1.041 1.00 . A A . 16 VAL HB 1 1 4 1794 1 1 16 VAL HG11 H -3.519 4.298 0.487 1.00 . A A . 16 VAL HG11 1 1 4 1795 1 1 16 VAL HG12 H -3.538 4.617 2.219 1.00 . A A . 16 VAL HG12 1 1 4 1796 1 1 16 VAL HG13 H -3.628 5.956 1.079 1.00 . A A . 16 VAL HG13 1 1 4 1797 1 1 16 VAL HG21 H -5.938 2.875 0.635 1.00 . A A . 16 VAL HG21 1 1 4 1798 1 1 16 VAL HG22 H -5.141 3.865 -0.594 1.00 . A A . 16 VAL HG22 1 1 4 1799 1 1 16 VAL HG23 H -6.836 4.158 -0.188 1.00 . A A . 16 VAL HG23 1 1 4 1800 1 1 16 VAL N N -7.385 4.274 2.693 1.00 . A A . 16 VAL N 1 1 4 1801 1 1 16 VAL O O -6.026 6.491 3.824 1.00 . A A . 16 VAL O 1 1 4 1802 1 1 17 ASN C C -2.549 6.624 4.696 1.00 . A A . 17 ASN C 1 1 4 1803 1 1 17 ASN CA C -3.776 5.970 5.324 1.00 . A A . 17 ASN CA 1 1 4 1804 1 1 17 ASN CB C -3.402 5.205 6.591 1.00 . A A . 17 ASN CB 1 1 4 1805 1 1 17 ASN CG C -2.994 6.127 7.723 1.00 . A A . 17 ASN CG 1 1 4 1806 1 1 17 ASN H H -3.941 4.210 4.168 1.00 . A A . 17 ASN H 1 1 4 1807 1 1 17 ASN HA H -4.503 6.734 5.567 1.00 . A A . 17 ASN HA 1 1 4 1808 1 1 17 ASN HB2 H -4.256 4.623 6.913 1.00 . A A . 17 ASN HB2 1 1 4 1809 1 1 17 ASN HB3 H -2.580 4.543 6.373 1.00 . A A . 17 ASN HB3 1 1 4 1810 1 1 17 ASN HD21 H -2.314 4.580 8.767 1.00 . A A . 17 ASN HD21 1 1 4 1811 1 1 17 ASN HD22 H -2.161 6.124 9.527 1.00 . A A . 17 ASN HD22 1 1 4 1812 1 1 17 ASN N N -4.370 5.071 4.351 1.00 . A A . 17 ASN N 1 1 4 1813 1 1 17 ASN ND2 N -2.433 5.552 8.778 1.00 . A A . 17 ASN ND2 1 1 4 1814 1 1 17 ASN O O -1.612 7.009 5.390 1.00 . A A . 17 ASN O 1 1 4 1815 1 1 17 ASN OD1 O -3.187 7.340 7.650 1.00 . A A . 17 ASN OD1 1 1 4 1816 1 1 18 TRP C C -0.210 7.429 3.206 1.00 . A A . 18 TRP C 1 1 4 1817 1 1 18 TRP CA C -1.557 7.316 2.515 1.00 . A A . 18 TRP CA 1 1 4 1818 1 1 18 TRP CB C -2.024 8.657 1.950 1.00 . A A . 18 TRP CB 1 1 4 1819 1 1 18 TRP CD1 C -4.309 8.875 0.797 1.00 . A A . 18 TRP CD1 1 1 4 1820 1 1 18 TRP CD2 C -2.779 7.759 -0.385 1.00 . A A . 18 TRP CD2 1 1 4 1821 1 1 18 TRP CE2 C -3.973 7.786 -1.119 1.00 . A A . 18 TRP CE2 1 1 4 1822 1 1 18 TRP CE3 C -1.672 7.111 -0.925 1.00 . A A . 18 TRP CE3 1 1 4 1823 1 1 18 TRP CG C -3.010 8.464 0.836 1.00 . A A . 18 TRP CG 1 1 4 1824 1 1 18 TRP CH2 C -2.995 6.553 -2.868 1.00 . A A . 18 TRP CH2 1 1 4 1825 1 1 18 TRP CZ2 C -4.094 7.185 -2.365 1.00 . A A . 18 TRP CZ2 1 1 4 1826 1 1 18 TRP CZ3 C -1.791 6.512 -2.162 1.00 . A A . 18 TRP CZ3 1 1 4 1827 1 1 18 TRP H H -3.401 6.399 2.915 1.00 . A A . 18 TRP H 1 1 4 1828 1 1 18 TRP HA H -1.424 6.636 1.681 1.00 . A A . 18 TRP HA 1 1 4 1829 1 1 18 TRP HB2 H -2.499 9.232 2.732 1.00 . A A . 18 TRP HB2 1 1 4 1830 1 1 18 TRP HB3 H -1.176 9.201 1.562 1.00 . A A . 18 TRP HB3 1 1 4 1831 1 1 18 TRP HD1 H -4.797 9.430 1.579 1.00 . A A . 18 TRP HD1 1 1 4 1832 1 1 18 TRP HE1 H -5.821 8.653 -0.643 1.00 . A A . 18 TRP HE1 1 1 4 1833 1 1 18 TRP HE3 H -0.738 7.067 -0.389 1.00 . A A . 18 TRP HE3 1 1 4 1834 1 1 18 TRP HH2 H -3.046 6.066 -3.827 1.00 . A A . 18 TRP HH2 1 1 4 1835 1 1 18 TRP HZ2 H -5.019 7.206 -2.925 1.00 . A A . 18 TRP HZ2 1 1 4 1836 1 1 18 TRP HZ3 H -0.945 5.999 -2.593 1.00 . A A . 18 TRP HZ3 1 1 4 1837 1 1 18 TRP N N -2.604 6.733 3.359 1.00 . A A . 18 TRP N 1 1 4 1838 1 1 18 TRP NE1 N -4.894 8.476 -0.379 1.00 . A A . 18 TRP NE1 1 1 4 1839 1 1 18 TRP O O 0.737 6.761 2.806 1.00 . A A . 18 TRP O 1 1 4 1840 1 1 19 GLY C C 1.764 7.002 5.217 1.00 . A A . 19 GLY C 1 1 4 1841 1 1 19 GLY CA C 1.149 8.364 4.949 1.00 . A A . 19 GLY CA 1 1 4 1842 1 1 19 GLY H H -0.899 8.748 4.547 1.00 . A A . 19 GLY H 1 1 4 1843 1 1 19 GLY HA2 H 1.831 8.944 4.338 1.00 . A A . 19 GLY HA2 1 1 4 1844 1 1 19 GLY HA3 H 0.990 8.872 5.887 1.00 . A A . 19 GLY HA3 1 1 4 1845 1 1 19 GLY N N -0.114 8.244 4.246 1.00 . A A . 19 GLY N 1 1 4 1846 1 1 19 GLY O O 2.984 6.843 5.185 1.00 . A A . 19 GLY O 1 1 4 1847 1 1 20 GLU C C 1.833 4.038 4.359 1.00 . A A . 20 GLU C 1 1 4 1848 1 1 20 GLU CA C 1.361 4.640 5.674 1.00 . A A . 20 GLU CA 1 1 4 1849 1 1 20 GLU CB C 0.242 3.780 6.274 1.00 . A A . 20 GLU CB 1 1 4 1850 1 1 20 GLU CD C 1.155 1.956 7.763 1.00 . A A . 20 GLU CD 1 1 4 1851 1 1 20 GLU CG C 0.519 3.331 7.698 1.00 . A A . 20 GLU CG 1 1 4 1852 1 1 20 GLU H H -0.059 6.194 5.425 1.00 . A A . 20 GLU H 1 1 4 1853 1 1 20 GLU HA H 2.192 4.677 6.364 1.00 . A A . 20 GLU HA 1 1 4 1854 1 1 20 GLU HB2 H -0.675 4.349 6.272 1.00 . A A . 20 GLU HB2 1 1 4 1855 1 1 20 GLU HB3 H 0.109 2.894 5.664 1.00 . A A . 20 GLU HB3 1 1 4 1856 1 1 20 GLU HG2 H 1.187 4.041 8.161 1.00 . A A . 20 GLU HG2 1 1 4 1857 1 1 20 GLU HG3 H -0.413 3.308 8.242 1.00 . A A . 20 GLU HG3 1 1 4 1858 1 1 20 GLU N N 0.904 6.007 5.442 1.00 . A A . 20 GLU N 1 1 4 1859 1 1 20 GLU O O 2.899 3.423 4.284 1.00 . A A . 20 GLU O 1 1 4 1860 1 1 20 GLU OE1 O 1.696 1.503 6.733 1.00 . A A . 20 GLU OE1 1 1 4 1861 1 1 20 GLU OE2 O 1.106 1.331 8.842 1.00 . A A . 20 GLU OE2 1 1 4 1862 1 1 21 ALA C C 2.557 4.520 1.428 1.00 . A A . 21 ALA C 1 1 4 1863 1 1 21 ALA CA C 1.367 3.759 1.983 1.00 . A A . 21 ALA CA 1 1 4 1864 1 1 21 ALA CB C 0.182 3.952 1.070 1.00 . A A . 21 ALA CB 1 1 4 1865 1 1 21 ALA H H 0.209 4.764 3.435 1.00 . A A . 21 ALA H 1 1 4 1866 1 1 21 ALA HA H 1.597 2.705 2.044 1.00 . A A . 21 ALA HA 1 1 4 1867 1 1 21 ALA HB1 H 0.213 4.954 0.669 1.00 . A A . 21 ALA HB1 1 1 4 1868 1 1 21 ALA HB2 H -0.728 3.818 1.634 1.00 . A A . 21 ALA HB2 1 1 4 1869 1 1 21 ALA HB3 H 0.224 3.236 0.267 1.00 . A A . 21 ALA HB3 1 1 4 1870 1 1 21 ALA N N 1.038 4.250 3.312 1.00 . A A . 21 ALA N 1 1 4 1871 1 1 21 ALA O O 3.395 3.966 0.720 1.00 . A A . 21 ALA O 1 1 4 1872 1 1 22 PHE C C 5.026 6.066 1.809 1.00 . A A . 22 PHE C 1 1 4 1873 1 1 22 PHE CA C 3.710 6.658 1.351 1.00 . A A . 22 PHE CA 1 1 4 1874 1 1 22 PHE CB C 3.529 8.048 1.957 1.00 . A A . 22 PHE CB 1 1 4 1875 1 1 22 PHE CD1 C 5.821 9.071 1.980 1.00 . A A . 22 PHE CD1 1 1 4 1876 1 1 22 PHE CD2 C 4.183 9.983 0.508 1.00 . A A . 22 PHE CD2 1 1 4 1877 1 1 22 PHE CE1 C 6.744 9.995 1.530 1.00 . A A . 22 PHE CE1 1 1 4 1878 1 1 22 PHE CE2 C 5.103 10.910 0.056 1.00 . A A . 22 PHE CE2 1 1 4 1879 1 1 22 PHE CG C 4.532 9.055 1.474 1.00 . A A . 22 PHE CG 1 1 4 1880 1 1 22 PHE CZ C 6.385 10.916 0.568 1.00 . A A . 22 PHE CZ 1 1 4 1881 1 1 22 PHE H H 1.929 6.165 2.362 1.00 . A A . 22 PHE H 1 1 4 1882 1 1 22 PHE HA H 3.696 6.725 0.271 1.00 . A A . 22 PHE HA 1 1 4 1883 1 1 22 PHE HB2 H 2.544 8.414 1.710 1.00 . A A . 22 PHE HB2 1 1 4 1884 1 1 22 PHE HB3 H 3.620 7.973 3.033 1.00 . A A . 22 PHE HB3 1 1 4 1885 1 1 22 PHE HD1 H 6.105 8.350 2.734 1.00 . A A . 22 PHE HD1 1 1 4 1886 1 1 22 PHE HD2 H 3.180 9.980 0.105 1.00 . A A . 22 PHE HD2 1 1 4 1887 1 1 22 PHE HE1 H 7.748 9.996 1.933 1.00 . A A . 22 PHE HE1 1 1 4 1888 1 1 22 PHE HE2 H 4.817 11.630 -0.697 1.00 . A A . 22 PHE HE2 1 1 4 1889 1 1 22 PHE HZ H 7.106 11.638 0.214 1.00 . A A . 22 PHE HZ 1 1 4 1890 1 1 22 PHE N N 2.627 5.795 1.782 1.00 . A A . 22 PHE N 1 1 4 1891 1 1 22 PHE O O 6.021 6.084 1.089 1.00 . A A . 22 PHE O 1 1 4 1892 1 1 23 SER C C 6.483 3.593 2.800 1.00 . A A . 23 SER C 1 1 4 1893 1 1 23 SER CA C 6.178 4.866 3.575 1.00 . A A . 23 SER CA 1 1 4 1894 1 1 23 SER CB C 5.959 4.542 5.053 1.00 . A A . 23 SER CB 1 1 4 1895 1 1 23 SER H H 4.151 5.508 3.512 1.00 . A A . 23 SER H 1 1 4 1896 1 1 23 SER HA H 7.016 5.549 3.475 1.00 . A A . 23 SER HA 1 1 4 1897 1 1 23 SER HB2 H 5.348 3.657 5.138 1.00 . A A . 23 SER HB2 1 1 4 1898 1 1 23 SER HB3 H 6.915 4.366 5.528 1.00 . A A . 23 SER HB3 1 1 4 1899 1 1 23 SER HG H 5.121 5.356 6.624 1.00 . A A . 23 SER HG 1 1 4 1900 1 1 23 SER N N 5.000 5.509 3.009 1.00 . A A . 23 SER N 1 1 4 1901 1 1 23 SER O O 7.638 3.197 2.648 1.00 . A A . 23 SER O 1 1 4 1902 1 1 23 SER OG O 5.310 5.611 5.718 1.00 . A A . 23 SER OG 1 1 4 1903 1 1 24 ALA C C 6.101 2.037 0.145 1.00 . A A . 24 ALA C 1 1 4 1904 1 1 24 ALA CA C 5.549 1.735 1.528 1.00 . A A . 24 ALA CA 1 1 4 1905 1 1 24 ALA CB C 4.193 1.065 1.400 1.00 . A A . 24 ALA CB 1 1 4 1906 1 1 24 ALA H H 4.528 3.338 2.460 1.00 . A A . 24 ALA H 1 1 4 1907 1 1 24 ALA HA H 6.218 1.065 2.049 1.00 . A A . 24 ALA HA 1 1 4 1908 1 1 24 ALA HB1 H 4.324 0.003 1.264 1.00 . A A . 24 ALA HB1 1 1 4 1909 1 1 24 ALA HB2 H 3.675 1.478 0.545 1.00 . A A . 24 ALA HB2 1 1 4 1910 1 1 24 ALA HB3 H 3.614 1.248 2.294 1.00 . A A . 24 ALA HB3 1 1 4 1911 1 1 24 ALA N N 5.424 2.962 2.303 1.00 . A A . 24 ALA N 1 1 4 1912 1 1 24 ALA O O 6.995 1.350 -0.352 1.00 . A A . 24 ALA O 1 1 4 1913 1 1 25 GLY C C 7.399 4.021 -1.802 1.00 . A A . 25 GLY C 1 1 4 1914 1 1 25 GLY CA C 5.986 3.475 -1.792 1.00 . A A . 25 GLY CA 1 1 4 1915 1 1 25 GLY H H 4.844 3.576 -0.017 1.00 . A A . 25 GLY H 1 1 4 1916 1 1 25 GLY HA2 H 5.938 2.618 -2.447 1.00 . A A . 25 GLY HA2 1 1 4 1917 1 1 25 GLY HA3 H 5.316 4.236 -2.164 1.00 . A A . 25 GLY HA3 1 1 4 1918 1 1 25 GLY N N 5.554 3.076 -0.469 1.00 . A A . 25 GLY N 1 1 4 1919 1 1 25 GLY O O 8.163 3.760 -2.729 1.00 . A A . 25 GLY O 1 1 4 1920 1 1 26 VAL C C 10.147 4.277 -0.577 1.00 . A A . 26 VAL C 1 1 4 1921 1 1 26 VAL CA C 9.089 5.361 -0.694 1.00 . A A . 26 VAL CA 1 1 4 1922 1 1 26 VAL CB C 9.221 6.326 0.502 1.00 . A A . 26 VAL CB 1 1 4 1923 1 1 26 VAL CG1 C 10.649 6.828 0.624 1.00 . A A . 26 VAL CG1 1 1 4 1924 1 1 26 VAL CG2 C 8.262 7.494 0.357 1.00 . A A . 26 VAL CG2 1 1 4 1925 1 1 26 VAL H H 7.106 4.963 -0.061 1.00 . A A . 26 VAL H 1 1 4 1926 1 1 26 VAL HA H 9.270 5.920 -1.606 1.00 . A A . 26 VAL HA 1 1 4 1927 1 1 26 VAL HB H 8.969 5.791 1.409 1.00 . A A . 26 VAL HB 1 1 4 1928 1 1 26 VAL HG11 H 11.299 6.005 0.877 1.00 . A A . 26 VAL HG11 1 1 4 1929 1 1 26 VAL HG12 H 10.702 7.581 1.395 1.00 . A A . 26 VAL HG12 1 1 4 1930 1 1 26 VAL HG13 H 10.957 7.253 -0.321 1.00 . A A . 26 VAL HG13 1 1 4 1931 1 1 26 VAL HG21 H 8.063 7.919 1.331 1.00 . A A . 26 VAL HG21 1 1 4 1932 1 1 26 VAL HG22 H 7.340 7.150 -0.083 1.00 . A A . 26 VAL HG22 1 1 4 1933 1 1 26 VAL HG23 H 8.705 8.247 -0.280 1.00 . A A . 26 VAL HG23 1 1 4 1934 1 1 26 VAL N N 7.753 4.783 -0.775 1.00 . A A . 26 VAL N 1 1 4 1935 1 1 26 VAL O O 11.211 4.371 -1.186 1.00 . A A . 26 VAL O 1 1 4 1936 1 1 27 HIS C C 11.102 1.515 -0.996 1.00 . A A . 27 HIS C 1 1 4 1937 1 1 27 HIS CA C 10.806 2.147 0.359 1.00 . A A . 27 HIS CA 1 1 4 1938 1 1 27 HIS CB C 10.255 1.099 1.326 1.00 . A A . 27 HIS CB 1 1 4 1939 1 1 27 HIS CD2 C 9.540 1.020 3.814 1.00 . A A . 27 HIS CD2 1 1 4 1940 1 1 27 HIS CE1 C 9.830 3.137 4.281 1.00 . A A . 27 HIS CE1 1 1 4 1941 1 1 27 HIS CG C 9.976 1.635 2.690 1.00 . A A . 27 HIS CG 1 1 4 1942 1 1 27 HIS H H 8.993 3.202 0.653 1.00 . A A . 27 HIS H 1 1 4 1943 1 1 27 HIS HA H 11.723 2.558 0.765 1.00 . A A . 27 HIS HA 1 1 4 1944 1 1 27 HIS HB2 H 9.331 0.705 0.936 1.00 . A A . 27 HIS HB2 1 1 4 1945 1 1 27 HIS HB3 H 10.969 0.298 1.425 1.00 . A A . 27 HIS HB3 1 1 4 1946 1 1 27 HIS HD1 H 10.456 3.663 2.411 1.00 . A A . 27 HIS HD1 1 1 4 1947 1 1 27 HIS HD2 H 9.302 -0.028 3.921 1.00 . A A . 27 HIS HD2 1 1 4 1948 1 1 27 HIS HE1 H 9.862 4.073 4.805 1.00 . A A . 27 HIS HE1 1 1 4 1949 1 1 27 HIS HE2 H 9.060 1.854 5.677 1.00 . A A . 27 HIS HE2 1 1 4 1950 1 1 27 HIS N N 9.858 3.238 0.193 1.00 . A A . 27 HIS N 1 1 4 1951 1 1 27 HIS ND1 N 10.148 2.958 3.017 1.00 . A A . 27 HIS ND1 1 1 4 1952 1 1 27 HIS NE2 N 9.456 1.979 4.790 1.00 . A A . 27 HIS NE2 1 1 4 1953 1 1 27 HIS O O 12.256 1.323 -1.364 1.00 . A A . 27 HIS O 1 1 4 1954 1 1 28 ARG C C 10.794 1.616 -4.065 1.00 . A A . 28 ARG C 1 1 4 1955 1 1 28 ARG CA C 10.188 0.626 -3.068 1.00 . A A . 28 ARG CA 1 1 4 1956 1 1 28 ARG CB C 8.827 0.152 -3.579 1.00 . A A . 28 ARG CB 1 1 4 1957 1 1 28 ARG CD C 7.547 -2.006 -3.752 1.00 . A A . 28 ARG CD 1 1 4 1958 1 1 28 ARG CG C 8.278 -1.047 -2.825 1.00 . A A . 28 ARG CG 1 1 4 1959 1 1 28 ARG CZ C 8.668 -4.123 -3.163 1.00 . A A . 28 ARG CZ 1 1 4 1960 1 1 28 ARG H H 9.149 1.413 -1.401 1.00 . A A . 28 ARG H 1 1 4 1961 1 1 28 ARG HA H 10.844 -0.227 -2.980 1.00 . A A . 28 ARG HA 1 1 4 1962 1 1 28 ARG HB2 H 8.118 0.962 -3.486 1.00 . A A . 28 ARG HB2 1 1 4 1963 1 1 28 ARG HB3 H 8.919 -0.116 -4.621 1.00 . A A . 28 ARG HB3 1 1 4 1964 1 1 28 ARG HD2 H 6.630 -2.319 -3.276 1.00 . A A . 28 ARG HD2 1 1 4 1965 1 1 28 ARG HD3 H 7.317 -1.491 -4.673 1.00 . A A . 28 ARG HD3 1 1 4 1966 1 1 28 ARG HE H 8.673 -3.290 -4.978 1.00 . A A . 28 ARG HE 1 1 4 1967 1 1 28 ARG HG2 H 9.097 -1.571 -2.355 1.00 . A A . 28 ARG HG2 1 1 4 1968 1 1 28 ARG HG3 H 7.591 -0.697 -2.068 1.00 . A A . 28 ARG HG3 1 1 4 1969 1 1 28 ARG HH11 H 7.688 -3.242 -1.628 1.00 . A A . 28 ARG HH11 1 1 4 1970 1 1 28 ARG HH12 H 8.489 -4.727 -1.243 1.00 . A A . 28 ARG HH12 1 1 4 1971 1 1 28 ARG HH21 H 9.725 -5.245 -4.470 1.00 . A A . 28 ARG HH21 1 1 4 1972 1 1 28 ARG HH22 H 9.645 -5.864 -2.853 1.00 . A A . 28 ARG HH22 1 1 4 1973 1 1 28 ARG N N 10.046 1.219 -1.743 1.00 . A A . 28 ARG N 1 1 4 1974 1 1 28 ARG NE N 8.350 -3.189 -4.058 1.00 . A A . 28 ARG NE 1 1 4 1975 1 1 28 ARG NH1 N 8.246 -4.022 -1.909 1.00 . A A . 28 ARG NH1 1 1 4 1976 1 1 28 ARG NH2 N 9.406 -5.163 -3.525 1.00 . A A . 28 ARG NH2 1 1 4 1977 1 1 28 ARG O O 11.655 1.253 -4.865 1.00 . A A . 28 ARG O 1 1 4 1978 1 1 29 LEU C C 12.212 4.340 -4.614 1.00 . A A . 29 LEU C 1 1 4 1979 1 1 29 LEU CA C 10.798 3.906 -4.930 1.00 . A A . 29 LEU CA 1 1 4 1980 1 1 29 LEU CB C 9.893 5.128 -4.837 1.00 . A A . 29 LEU CB 1 1 4 1981 1 1 29 LEU CD1 C 7.741 6.233 -5.430 1.00 . A A . 29 LEU CD1 1 1 4 1982 1 1 29 LEU CD2 C 8.468 4.169 -6.634 1.00 . A A . 29 LEU CD2 1 1 4 1983 1 1 29 LEU CG C 8.467 4.908 -5.311 1.00 . A A . 29 LEU CG 1 1 4 1984 1 1 29 LEU H H 9.634 3.087 -3.363 1.00 . A A . 29 LEU H 1 1 4 1985 1 1 29 LEU HA H 10.759 3.521 -5.931 1.00 . A A . 29 LEU HA 1 1 4 1986 1 1 29 LEU HB2 H 9.863 5.449 -3.808 1.00 . A A . 29 LEU HB2 1 1 4 1987 1 1 29 LEU HB3 H 10.327 5.918 -5.433 1.00 . A A . 29 LEU HB3 1 1 4 1988 1 1 29 LEU HD11 H 7.521 6.607 -4.442 1.00 . A A . 29 LEU HD11 1 1 4 1989 1 1 29 LEU HD12 H 6.822 6.095 -5.978 1.00 . A A . 29 LEU HD12 1 1 4 1990 1 1 29 LEU HD13 H 8.371 6.939 -5.949 1.00 . A A . 29 LEU HD13 1 1 4 1991 1 1 29 LEU HD21 H 9.103 4.691 -7.333 1.00 . A A . 29 LEU HD21 1 1 4 1992 1 1 29 LEU HD22 H 7.463 4.118 -7.023 1.00 . A A . 29 LEU HD22 1 1 4 1993 1 1 29 LEU HD23 H 8.851 3.170 -6.479 1.00 . A A . 29 LEU HD23 1 1 4 1994 1 1 29 LEU HG H 7.947 4.302 -4.590 1.00 . A A . 29 LEU HG 1 1 4 1995 1 1 29 LEU N N 10.324 2.862 -4.021 1.00 . A A . 29 LEU N 1 1 4 1996 1 1 29 LEU O O 13.101 4.338 -5.467 1.00 . A A . 29 LEU O 1 1 4 1997 1 1 30 ALA C C 14.756 4.219 -2.867 1.00 . A A . 30 ALA C 1 1 4 1998 1 1 30 ALA CA C 13.647 5.272 -2.888 1.00 . A A . 30 ALA CA 1 1 4 1999 1 1 30 ALA CB C 13.448 5.847 -1.496 1.00 . A A . 30 ALA CB 1 1 4 2000 1 1 30 ALA H H 11.590 4.760 -2.791 1.00 . A A . 30 ALA H 1 1 4 2001 1 1 30 ALA HA H 13.950 6.079 -3.536 1.00 . A A . 30 ALA HA 1 1 4 2002 1 1 30 ALA HB1 H 12.529 6.414 -1.472 1.00 . A A . 30 ALA HB1 1 1 4 2003 1 1 30 ALA HB2 H 14.278 6.490 -1.248 1.00 . A A . 30 ALA HB2 1 1 4 2004 1 1 30 ALA HB3 H 13.388 5.040 -0.780 1.00 . A A . 30 ALA HB3 1 1 4 2005 1 1 30 ALA N N 12.376 4.758 -3.382 1.00 . A A . 30 ALA N 1 1 4 2006 1 1 30 ALA O O 15.932 4.563 -2.751 1.00 . A A . 30 ALA O 1 1 4 2007 1 1 31 ASN C C 15.987 1.681 -4.371 1.00 . A A . 31 ASN C 1 1 4 2008 1 1 31 ASN CA C 15.406 1.887 -2.975 1.00 . A A . 31 ASN CA 1 1 4 2009 1 1 31 ASN CB C 14.828 0.575 -2.443 1.00 . A A . 31 ASN CB 1 1 4 2010 1 1 31 ASN CG C 15.901 -0.469 -2.197 1.00 . A A . 31 ASN CG 1 1 4 2011 1 1 31 ASN H H 13.451 2.712 -3.073 1.00 . A A . 31 ASN H 1 1 4 2012 1 1 31 ASN HA H 16.203 2.205 -2.321 1.00 . A A . 31 ASN HA 1 1 4 2013 1 1 31 ASN HB2 H 14.326 0.765 -1.506 1.00 . A A . 31 ASN HB2 1 1 4 2014 1 1 31 ASN HB3 H 14.120 0.179 -3.158 1.00 . A A . 31 ASN HB3 1 1 4 2015 1 1 31 ASN HD21 H 15.422 -1.402 -3.886 1.00 . A A . 31 ASN HD21 1 1 4 2016 1 1 31 ASN HD22 H 16.712 -2.107 -2.977 1.00 . A A . 31 ASN HD22 1 1 4 2017 1 1 31 ASN N N 14.398 2.944 -2.980 1.00 . A A . 31 ASN N 1 1 4 2018 1 1 31 ASN ND2 N 16.023 -1.422 -3.111 1.00 . A A . 31 ASN ND2 1 1 4 2019 1 1 31 ASN O O 17.179 1.410 -4.522 1.00 . A A . 31 ASN O 1 1 4 2020 1 1 31 ASN OD1 O 16.612 -0.419 -1.193 1.00 . A A . 31 ASN OD1 1 1 4 2021 1 1 32 GLY C C 16.397 0.376 -6.974 1.00 . A A . 32 GLY C 1 1 4 2022 1 1 32 GLY CA C 15.585 1.643 -6.764 1.00 . A A . 32 GLY CA 1 1 4 2023 1 1 32 GLY H H 14.202 2.031 -5.205 1.00 . A A . 32 GLY H 1 1 4 2024 1 1 32 GLY HA2 H 14.721 1.613 -7.411 1.00 . A A . 32 GLY HA2 1 1 4 2025 1 1 32 GLY HA3 H 16.192 2.493 -7.038 1.00 . A A . 32 GLY HA3 1 1 4 2026 1 1 32 GLY N N 15.139 1.813 -5.389 1.00 . A A . 32 GLY N 1 1 4 2027 1 1 32 GLY O O 17.596 0.349 -6.699 1.00 . A A . 32 GLY O 1 1 4 2028 1 1 33 GLY C C 16.256 -2.897 -6.549 1.00 . A A . 33 GLY C 1 1 4 2029 1 1 33 GLY CA C 16.430 -1.927 -7.696 1.00 . A A . 33 GLY CA 1 1 4 2030 1 1 33 GLY H H 14.791 -0.605 -7.663 1.00 . A A . 33 GLY H 1 1 4 2031 1 1 33 GLY HA2 H 16.042 -2.376 -8.599 1.00 . A A . 33 GLY HA2 1 1 4 2032 1 1 33 GLY HA3 H 17.485 -1.730 -7.830 1.00 . A A . 33 GLY HA3 1 1 4 2033 1 1 33 GLY N N 15.745 -0.676 -7.461 1.00 . A A . 33 GLY N 1 1 4 2034 1 1 33 GLY O O 16.124 -2.490 -5.396 1.00 . A A . 33 GLY O 1 1 4 2035 1 1 34 ASN C C 17.443 -5.501 -5.179 1.00 . A A . 34 ASN C 1 1 4 2036 1 1 34 ASN CA C 16.104 -5.219 -5.854 1.00 . A A . 34 ASN CA 1 1 4 2037 1 1 34 ASN CB C 15.554 -6.503 -6.483 1.00 . A A . 34 ASN CB 1 1 4 2038 1 1 34 ASN CG C 14.058 -6.656 -6.283 1.00 . A A . 34 ASN CG 1 1 4 2039 1 1 34 ASN H H 16.367 -4.435 -7.805 1.00 . A A . 34 ASN H 1 1 4 2040 1 1 34 ASN HA H 15.407 -4.861 -5.112 1.00 . A A . 34 ASN HA 1 1 4 2041 1 1 34 ASN HB2 H 15.756 -6.493 -7.545 1.00 . A A . 34 ASN HB2 1 1 4 2042 1 1 34 ASN HB3 H 16.048 -7.355 -6.038 1.00 . A A . 34 ASN HB3 1 1 4 2043 1 1 34 ASN HD21 H 14.302 -8.563 -5.775 1.00 . A A . 34 ASN HD21 1 1 4 2044 1 1 34 ASN HD22 H 12.673 -7.989 -5.768 1.00 . A A . 34 ASN HD22 1 1 4 2045 1 1 34 ASN N N 16.259 -4.180 -6.867 1.00 . A A . 34 ASN N 1 1 4 2046 1 1 34 ASN ND2 N 13.634 -7.857 -5.904 1.00 . A A . 34 ASN ND2 1 1 4 2047 1 1 34 ASN O O 18.039 -6.562 -5.367 1.00 . A A . 34 ASN O 1 1 4 2048 1 1 34 ASN OD1 O 13.293 -5.710 -6.469 1.00 . A A . 34 ASN OD1 1 1 4 2049 1 1 35 GLY C C 19.088 -5.515 -2.453 1.00 . A A . 35 GLY C 1 1 4 2050 1 1 35 GLY CA C 19.184 -4.676 -3.713 1.00 . A A . 35 GLY CA 1 1 4 2051 1 1 35 GLY H H 17.394 -3.707 -4.296 1.00 . A A . 35 GLY H 1 1 4 2052 1 1 35 GLY HA2 H 19.894 -5.136 -4.386 1.00 . A A . 35 GLY HA2 1 1 4 2053 1 1 35 GLY HA3 H 19.545 -3.693 -3.449 1.00 . A A . 35 GLY HA3 1 1 4 2054 1 1 35 GLY N N 17.913 -4.533 -4.399 1.00 . A A . 35 GLY N 1 1 4 2055 1 1 35 GLY O O 20.007 -6.270 -2.137 1.00 . A A . 35 GLY O 1 1 4 2056 1 1 36 PHE C C 18.559 -5.507 0.659 1.00 . A A . 36 PHE C 1 1 4 2057 1 1 36 PHE CA C 17.762 -6.125 -0.489 1.00 . A A . 36 PHE CA 1 1 4 2058 1 1 36 PHE CB C 18.154 -7.597 -0.662 1.00 . A A . 36 PHE CB 1 1 4 2059 1 1 36 PHE CD1 C 17.217 -8.558 1.458 1.00 . A A . 36 PHE CD1 1 1 4 2060 1 1 36 PHE CD2 C 16.449 -9.438 -0.621 1.00 . A A . 36 PHE CD2 1 1 4 2061 1 1 36 PHE CE1 C 16.392 -9.433 2.137 1.00 . A A . 36 PHE CE1 1 1 4 2062 1 1 36 PHE CE2 C 15.621 -10.316 0.053 1.00 . A A . 36 PHE CE2 1 1 4 2063 1 1 36 PHE CG C 17.255 -8.550 0.073 1.00 . A A . 36 PHE CG 1 1 4 2064 1 1 36 PHE CZ C 15.592 -10.314 1.434 1.00 . A A . 36 PHE CZ 1 1 4 2065 1 1 36 PHE H H 17.284 -4.757 -2.036 1.00 . A A . 36 PHE H 1 1 4 2066 1 1 36 PHE HA H 16.709 -6.069 -0.248 1.00 . A A . 36 PHE HA 1 1 4 2067 1 1 36 PHE HB2 H 18.120 -7.851 -1.709 1.00 . A A . 36 PHE HB2 1 1 4 2068 1 1 36 PHE HB3 H 19.160 -7.741 -0.294 1.00 . A A . 36 PHE HB3 1 1 4 2069 1 1 36 PHE HD1 H 17.841 -7.870 2.008 1.00 . A A . 36 PHE HD1 1 1 4 2070 1 1 36 PHE HD2 H 16.471 -9.441 -1.701 1.00 . A A . 36 PHE HD2 1 1 4 2071 1 1 36 PHE HE1 H 16.372 -9.430 3.216 1.00 . A A . 36 PHE HE1 1 1 4 2072 1 1 36 PHE HE2 H 14.998 -11.004 -0.500 1.00 . A A . 36 PHE HE2 1 1 4 2073 1 1 36 PHE HZ H 14.947 -10.999 1.963 1.00 . A A . 36 PHE HZ 1 1 4 2074 1 1 36 PHE N N 17.978 -5.378 -1.730 1.00 . A A . 36 PHE N 1 1 4 2075 1 1 36 PHE O O 19.790 -5.552 0.665 1.00 . A A . 36 PHE O 1 1 4 2076 1 1 37 TRP C C 17.483 -4.126 3.918 1.00 . A A . 37 TRP C 1 1 4 2077 1 1 37 TRP CA C 18.486 -4.307 2.783 1.00 . A A . 37 TRP CA 1 1 4 2078 1 1 37 TRP CB C 19.093 -2.952 2.405 1.00 . A A . 37 TRP CB 1 1 4 2079 1 1 37 TRP CD1 C 21.436 -3.349 1.447 1.00 . A A . 37 TRP CD1 1 1 4 2080 1 1 37 TRP CD2 C 21.424 -2.499 3.519 1.00 . A A . 37 TRP CD2 1 1 4 2081 1 1 37 TRP CE2 C 22.762 -2.672 3.112 1.00 . A A . 37 TRP CE2 1 1 4 2082 1 1 37 TRP CE3 C 21.170 -1.975 4.791 1.00 . A A . 37 TRP CE3 1 1 4 2083 1 1 37 TRP CG C 20.592 -2.940 2.439 1.00 . A A . 37 TRP CG 1 1 4 2084 1 1 37 TRP CH2 C 23.561 -1.828 5.169 1.00 . A A . 37 TRP CH2 1 1 4 2085 1 1 37 TRP CZ2 C 23.838 -2.339 3.930 1.00 . A A . 37 TRP CZ2 1 1 4 2086 1 1 37 TRP CZ3 C 22.242 -1.645 5.601 1.00 . A A . 37 TRP CZ3 1 1 4 2087 1 1 37 TRP H H 16.871 -4.929 1.560 1.00 . A A . 37 TRP H 1 1 4 2088 1 1 37 TRP HA H 19.276 -4.964 3.119 1.00 . A A . 37 TRP HA 1 1 4 2089 1 1 37 TRP HB2 H 18.782 -2.689 1.406 1.00 . A A . 37 TRP HB2 1 1 4 2090 1 1 37 TRP HB3 H 18.739 -2.200 3.095 1.00 . A A . 37 TRP HB3 1 1 4 2091 1 1 37 TRP HD1 H 21.112 -3.741 0.494 1.00 . A A . 37 TRP HD1 1 1 4 2092 1 1 37 TRP HE1 H 23.531 -3.414 1.308 1.00 . A A . 37 TRP HE1 1 1 4 2093 1 1 37 TRP HE3 H 20.160 -1.826 5.143 1.00 . A A . 37 TRP HE3 1 1 4 2094 1 1 37 TRP HH2 H 24.366 -1.557 5.836 1.00 . A A . 37 TRP HH2 1 1 4 2095 1 1 37 TRP HZ2 H 24.862 -2.473 3.611 1.00 . A A . 37 TRP HZ2 1 1 4 2096 1 1 37 TRP HZ3 H 22.065 -1.239 6.587 1.00 . A A . 37 TRP HZ3 1 1 4 2097 1 1 37 TRP N N 17.849 -4.931 1.626 1.00 . A A . 37 TRP N 1 1 4 2098 1 1 37 TRP NE1 N 22.742 -3.192 1.845 1.00 . A A . 37 TRP NE1 1 1 4 2099 1 1 37 TRP O O 17.363 -5.046 4.754 1.00 . A A . 37 TRP O 1 1 4 2100 1 1 37 TRP OXT O 16.828 -3.063 3.964 1.00 . A A . 37 TRP OXT 1 1 5 2101 1 1 1 LYS C C -6.701 -4.072 6.292 1.00 . A A . 1 LYS C 1 1 5 2102 1 1 1 LYS CA C -7.786 -4.872 6.999 1.00 . A A . 1 LYS CA 1 1 5 2103 1 1 1 LYS CB C -8.588 -5.665 5.958 1.00 . A A . 1 LYS CB 1 1 5 2104 1 1 1 LYS CD C -8.356 -7.338 4.090 1.00 . A A . 1 LYS CD 1 1 5 2105 1 1 1 LYS CE C -8.098 -8.590 4.910 1.00 . A A . 1 LYS CE 1 1 5 2106 1 1 1 LYS CG C -7.765 -6.105 4.755 1.00 . A A . 1 LYS CG 1 1 5 2107 1 1 1 LYS HA H -7.329 -5.557 7.696 1.00 . A A . 1 LYS HA 1 1 5 2108 1 1 1 LYS HB2 H -9.000 -6.545 6.427 1.00 . A A . 1 LYS HB2 1 1 5 2109 1 1 1 LYS HB3 H -9.397 -5.045 5.599 1.00 . A A . 1 LYS HB3 1 1 5 2110 1 1 1 LYS HD2 H -9.423 -7.203 3.986 1.00 . A A . 1 LYS HD2 1 1 5 2111 1 1 1 LYS HD3 H -7.910 -7.459 3.114 1.00 . A A . 1 LYS HD3 1 1 5 2112 1 1 1 LYS HE2 H -7.153 -9.015 4.607 1.00 . A A . 1 LYS HE2 1 1 5 2113 1 1 1 LYS HE3 H -8.052 -8.317 5.954 1.00 . A A . 1 LYS HE3 1 1 5 2114 1 1 1 LYS HG2 H -7.737 -5.297 4.038 1.00 . A A . 1 LYS HG2 1 1 5 2115 1 1 1 LYS HG3 H -6.761 -6.328 5.085 1.00 . A A . 1 LYS HG3 1 1 5 2116 1 1 1 LYS HZ1 H -8.759 -10.565 4.741 1.00 . A A . 1 LYS HZ1 1 1 5 2117 1 1 1 LYS HZ2 H -9.645 -9.466 3.809 1.00 . A A . 1 LYS HZ2 1 1 5 2118 1 1 1 LYS HZ3 H -9.873 -9.532 5.484 1.00 . A A . 1 LYS HZ3 1 1 5 2119 1 1 1 LYS N N -8.716 -3.979 7.740 1.00 . A A . 1 LYS N 1 1 5 2120 1 1 1 LYS NZ N -9.168 -9.609 4.723 1.00 . A A . 1 LYS NZ 1 1 5 2121 1 1 1 LYS O O -6.931 -3.550 5.207 1.00 . A A . 1 LYS O 1 1 5 2122 1 1 2 TYR C C -3.775 -4.101 5.191 1.00 . A A . 2 TYR C 1 1 5 2123 1 1 2 TYR CA C -4.437 -3.253 6.264 1.00 . A A . 2 TYR CA 1 1 5 2124 1 1 2 TYR CB C -3.404 -2.828 7.293 1.00 . A A . 2 TYR CB 1 1 5 2125 1 1 2 TYR CD1 C -3.919 -0.415 7.542 1.00 . A A . 2 TYR CD1 1 1 5 2126 1 1 2 TYR CD2 C -1.818 -1.000 6.612 1.00 . A A . 2 TYR CD2 1 1 5 2127 1 1 2 TYR CE1 C -3.611 0.920 7.416 1.00 . A A . 2 TYR CE1 1 1 5 2128 1 1 2 TYR CE2 C -1.498 0.332 6.477 1.00 . A A . 2 TYR CE2 1 1 5 2129 1 1 2 TYR CG C -3.033 -1.387 7.147 1.00 . A A . 2 TYR CG 1 1 5 2130 1 1 2 TYR CZ C -2.399 1.293 6.881 1.00 . A A . 2 TYR CZ 1 1 5 2131 1 1 2 TYR H H -5.373 -4.423 7.749 1.00 . A A . 2 TYR H 1 1 5 2132 1 1 2 TYR HA H -4.859 -2.365 5.813 1.00 . A A . 2 TYR HA 1 1 5 2133 1 1 2 TYR HB2 H -3.811 -2.965 8.283 1.00 . A A . 2 TYR HB2 1 1 5 2134 1 1 2 TYR HB3 H -2.511 -3.419 7.179 1.00 . A A . 2 TYR HB3 1 1 5 2135 1 1 2 TYR HD1 H -4.872 -0.722 7.946 1.00 . A A . 2 TYR HD1 1 1 5 2136 1 1 2 TYR HD2 H -1.117 -1.757 6.296 1.00 . A A . 2 TYR HD2 1 1 5 2137 1 1 2 TYR HE1 H -4.320 1.663 7.731 1.00 . A A . 2 TYR HE1 1 1 5 2138 1 1 2 TYR HE2 H -0.553 0.616 6.049 1.00 . A A . 2 TYR HE2 1 1 5 2139 1 1 2 TYR HH H -2.321 3.090 7.564 1.00 . A A . 2 TYR HH 1 1 5 2140 1 1 2 TYR N N -5.519 -3.988 6.887 1.00 . A A . 2 TYR N 1 1 5 2141 1 1 2 TYR O O -3.582 -5.303 5.363 1.00 . A A . 2 TYR O 1 1 5 2142 1 1 2 TYR OH O -2.082 2.627 6.757 1.00 . A A . 2 TYR OH 1 1 5 2143 1 1 3 TYR C C -1.317 -3.824 2.889 1.00 . A A . 3 TYR C 1 1 5 2144 1 1 3 TYR CA C -2.801 -4.159 2.965 1.00 . A A . 3 TYR CA 1 1 5 2145 1 1 3 TYR CB C -3.501 -3.774 1.657 1.00 . A A . 3 TYR CB 1 1 5 2146 1 1 3 TYR CD1 C -4.409 -5.953 0.765 1.00 . A A . 3 TYR CD1 1 1 5 2147 1 1 3 TYR CD2 C -5.966 -4.314 1.526 1.00 . A A . 3 TYR CD2 1 1 5 2148 1 1 3 TYR CE1 C -5.452 -6.805 0.453 1.00 . A A . 3 TYR CE1 1 1 5 2149 1 1 3 TYR CE2 C -7.015 -5.163 1.219 1.00 . A A . 3 TYR CE2 1 1 5 2150 1 1 3 TYR CG C -4.647 -4.695 1.304 1.00 . A A . 3 TYR CG 1 1 5 2151 1 1 3 TYR CZ C -6.752 -6.406 0.683 1.00 . A A . 3 TYR CZ 1 1 5 2152 1 1 3 TYR H H -3.613 -2.501 4.008 1.00 . A A . 3 TYR H 1 1 5 2153 1 1 3 TYR HA H -2.914 -5.225 3.121 1.00 . A A . 3 TYR HA 1 1 5 2154 1 1 3 TYR HB2 H -3.898 -2.775 1.758 1.00 . A A . 3 TYR HB2 1 1 5 2155 1 1 3 TYR HB3 H -2.789 -3.798 0.843 1.00 . A A . 3 TYR HB3 1 1 5 2156 1 1 3 TYR HD1 H -3.391 -6.262 0.587 1.00 . A A . 3 TYR HD1 1 1 5 2157 1 1 3 TYR HD2 H -6.169 -3.340 1.948 1.00 . A A . 3 TYR HD2 1 1 5 2158 1 1 3 TYR HE1 H -5.246 -7.780 0.035 1.00 . A A . 3 TYR HE1 1 1 5 2159 1 1 3 TYR HE2 H -8.032 -4.849 1.399 1.00 . A A . 3 TYR HE2 1 1 5 2160 1 1 3 TYR HH H -8.343 -6.853 -0.304 1.00 . A A . 3 TYR HH 1 1 5 2161 1 1 3 TYR N N -3.433 -3.465 4.081 1.00 . A A . 3 TYR N 1 1 5 2162 1 1 3 TYR O O -0.759 -3.698 1.799 1.00 . A A . 3 TYR O 1 1 5 2163 1 1 3 TYR OH O -7.794 -7.253 0.375 1.00 . A A . 3 TYR OH 1 1 5 2164 1 1 4 GLY C C 1.147 -2.297 3.071 1.00 . A A . 4 GLY C 1 1 5 2165 1 1 4 GLY CA C 0.732 -3.321 4.114 1.00 . A A . 4 GLY CA 1 1 5 2166 1 1 4 GLY H H -1.197 -3.753 4.888 1.00 . A A . 4 GLY H 1 1 5 2167 1 1 4 GLY HA2 H 0.953 -2.925 5.092 1.00 . A A . 4 GLY HA2 1 1 5 2168 1 1 4 GLY HA3 H 1.307 -4.229 3.967 1.00 . A A . 4 GLY HA3 1 1 5 2169 1 1 4 GLY N N -0.689 -3.654 4.056 1.00 . A A . 4 GLY N 1 1 5 2170 1 1 4 GLY O O 2.311 -2.238 2.676 1.00 . A A . 4 GLY O 1 1 5 2171 1 1 5 ASN C C -0.484 0.713 1.849 1.00 . A A . 5 ASN C 1 1 5 2172 1 1 5 ASN CA C 0.425 -0.482 1.607 1.00 . A A . 5 ASN CA 1 1 5 2173 1 1 5 ASN CB C 0.170 -1.057 0.211 1.00 . A A . 5 ASN CB 1 1 5 2174 1 1 5 ASN CG C 1.451 -1.446 -0.495 1.00 . A A . 5 ASN CG 1 1 5 2175 1 1 5 ASN H H -0.722 -1.608 2.968 1.00 . A A . 5 ASN H 1 1 5 2176 1 1 5 ASN HA H 1.458 -0.166 1.680 1.00 . A A . 5 ASN HA 1 1 5 2177 1 1 5 ASN HB2 H -0.452 -1.936 0.299 1.00 . A A . 5 ASN HB2 1 1 5 2178 1 1 5 ASN HB3 H -0.342 -0.320 -0.390 1.00 . A A . 5 ASN HB3 1 1 5 2179 1 1 5 ASN HD21 H 0.895 -0.434 -2.113 1.00 . A A . 5 ASN HD21 1 1 5 2180 1 1 5 ASN HD22 H 2.428 -1.224 -2.212 1.00 . A A . 5 ASN HD22 1 1 5 2181 1 1 5 ASN N N 0.183 -1.503 2.616 1.00 . A A . 5 ASN N 1 1 5 2182 1 1 5 ASN ND2 N 1.607 -0.989 -1.732 1.00 . A A . 5 ASN ND2 1 1 5 2183 1 1 5 ASN O O -0.937 1.361 0.906 1.00 . A A . 5 ASN O 1 1 5 2184 1 1 5 ASN OD1 O 2.292 -2.150 0.063 1.00 . A A . 5 ASN OD1 1 1 5 2185 1 1 6 GLY C C -3.007 1.936 2.780 1.00 . A A . 6 GLY C 1 1 5 2186 1 1 6 GLY CA C -1.654 2.088 3.444 1.00 . A A . 6 GLY CA 1 1 5 2187 1 1 6 GLY H H -0.402 0.426 3.831 1.00 . A A . 6 GLY H 1 1 5 2188 1 1 6 GLY HA2 H -1.788 2.128 4.515 1.00 . A A . 6 GLY HA2 1 1 5 2189 1 1 6 GLY HA3 H -1.205 3.006 3.113 1.00 . A A . 6 GLY HA3 1 1 5 2190 1 1 6 GLY N N -0.773 0.987 3.118 1.00 . A A . 6 GLY N 1 1 5 2191 1 1 6 GLY O O -3.506 2.864 2.153 1.00 . A A . 6 GLY O 1 1 5 2192 1 1 7 VAL C C -5.674 -0.535 3.144 1.00 . A A . 7 VAL C 1 1 5 2193 1 1 7 VAL CA C -4.897 0.471 2.316 1.00 . A A . 7 VAL CA 1 1 5 2194 1 1 7 VAL CB C -4.783 -0.060 0.879 1.00 . A A . 7 VAL CB 1 1 5 2195 1 1 7 VAL CG1 C -6.074 -0.739 0.491 1.00 . A A . 7 VAL CG1 1 1 5 2196 1 1 7 VAL CG2 C -4.492 1.071 -0.084 1.00 . A A . 7 VAL CG2 1 1 5 2197 1 1 7 VAL H H -3.138 0.048 3.417 1.00 . A A . 7 VAL H 1 1 5 2198 1 1 7 VAL HA H -5.461 1.389 2.280 1.00 . A A . 7 VAL HA 1 1 5 2199 1 1 7 VAL HB H -3.980 -0.780 0.832 1.00 . A A . 7 VAL HB 1 1 5 2200 1 1 7 VAL HG11 H -6.188 -0.712 -0.581 1.00 . A A . 7 VAL HG11 1 1 5 2201 1 1 7 VAL HG12 H -6.889 -0.205 0.958 1.00 . A A . 7 VAL HG12 1 1 5 2202 1 1 7 VAL HG13 H -6.063 -1.760 0.835 1.00 . A A . 7 VAL HG13 1 1 5 2203 1 1 7 VAL HG21 H -5.262 1.096 -0.842 1.00 . A A . 7 VAL HG21 1 1 5 2204 1 1 7 VAL HG22 H -3.531 0.913 -0.547 1.00 . A A . 7 VAL HG22 1 1 5 2205 1 1 7 VAL HG23 H -4.491 2.005 0.454 1.00 . A A . 7 VAL HG23 1 1 5 2206 1 1 7 VAL N N -3.593 0.752 2.910 1.00 . A A . 7 VAL N 1 1 5 2207 1 1 7 VAL O O -5.342 -1.718 3.178 1.00 . A A . 7 VAL O 1 1 5 2208 1 1 8 HIS C C -8.992 -0.857 4.087 1.00 . A A . 8 HIS C 1 1 5 2209 1 1 8 HIS CA C -7.573 -0.895 4.606 1.00 . A A . 8 HIS CA 1 1 5 2210 1 1 8 HIS CB C -7.554 -0.453 6.073 1.00 . A A . 8 HIS CB 1 1 5 2211 1 1 8 HIS CD2 C -5.816 1.424 5.834 1.00 . A A . 8 HIS CD2 1 1 5 2212 1 1 8 HIS CE1 C -6.843 2.980 6.985 1.00 . A A . 8 HIS CE1 1 1 5 2213 1 1 8 HIS CG C -6.976 0.904 6.274 1.00 . A A . 8 HIS CG 1 1 5 2214 1 1 8 HIS H H -6.937 0.902 3.703 1.00 . A A . 8 HIS H 1 1 5 2215 1 1 8 HIS HA H -7.202 -1.898 4.536 1.00 . A A . 8 HIS HA 1 1 5 2216 1 1 8 HIS HB2 H -8.563 -0.442 6.454 1.00 . A A . 8 HIS HB2 1 1 5 2217 1 1 8 HIS HB3 H -6.966 -1.155 6.645 1.00 . A A . 8 HIS HB3 1 1 5 2218 1 1 8 HIS HD1 H -8.467 1.822 7.443 1.00 . A A . 8 HIS HD1 1 1 5 2219 1 1 8 HIS HD2 H -5.065 0.901 5.246 1.00 . A A . 8 HIS HD2 1 1 5 2220 1 1 8 HIS HE1 H -7.076 3.918 7.466 1.00 . A A . 8 HIS HE1 1 1 5 2221 1 1 8 HIS HE2 H -4.954 3.288 6.257 1.00 . A A . 8 HIS HE2 1 1 5 2222 1 1 8 HIS N N -6.722 -0.050 3.790 1.00 . A A . 8 HIS N 1 1 5 2223 1 1 8 HIS ND1 N -7.599 1.897 6.993 1.00 . A A . 8 HIS ND1 1 1 5 2224 1 1 8 HIS NE2 N -5.751 2.719 6.286 1.00 . A A . 8 HIS NE2 1 1 5 2225 1 1 8 HIS O O -9.430 0.134 3.512 1.00 . A A . 8 HIS O 1 1 5 2226 1 1 9 CYS C C -11.953 -2.420 5.043 1.00 . A A . 9 CYS C 1 1 5 2227 1 1 9 CYS CA C -11.082 -2.015 3.869 1.00 . A A . 9 CYS CA 1 1 5 2228 1 1 9 CYS CB C -11.233 -2.992 2.712 1.00 . A A . 9 CYS CB 1 1 5 2229 1 1 9 CYS H H -9.308 -2.698 4.772 1.00 . A A . 9 CYS H 1 1 5 2230 1 1 9 CYS HA H -11.376 -1.032 3.543 1.00 . A A . 9 CYS HA 1 1 5 2231 1 1 9 CYS HB2 H -11.220 -3.997 3.096 1.00 . A A . 9 CYS HB2 1 1 5 2232 1 1 9 CYS HB3 H -12.176 -2.803 2.229 1.00 . A A . 9 CYS HB3 1 1 5 2233 1 1 9 CYS N N -9.710 -1.937 4.301 1.00 . A A . 9 CYS N 1 1 5 2234 1 1 9 CYS O O -12.129 -3.606 5.327 1.00 . A A . 9 CYS O 1 1 5 2235 1 1 9 CYS SG S -9.932 -2.863 1.444 1.00 . A A . 9 CYS SG 1 1 5 2236 1 1 10 THR C C -14.775 -1.627 6.572 1.00 . A A . 10 THR C 1 1 5 2237 1 1 10 THR CA C -13.296 -1.660 6.913 1.00 . A A . 10 THR CA 1 1 5 2238 1 1 10 THR CB C -12.990 -0.630 8.009 1.00 . A A . 10 THR CB 1 1 5 2239 1 1 10 THR CG2 C -11.536 -0.205 8.059 1.00 . A A . 10 THR CG2 1 1 5 2240 1 1 10 THR H H -12.270 -0.497 5.466 1.00 . A A . 10 THR H 1 1 5 2241 1 1 10 THR HA H -13.060 -2.641 7.283 1.00 . A A . 10 THR HA 1 1 5 2242 1 1 10 THR HB H -13.239 -1.059 8.968 1.00 . A A . 10 THR HB 1 1 5 2243 1 1 10 THR HG1 H -13.717 0.821 6.915 1.00 . A A . 10 THR HG1 1 1 5 2244 1 1 10 THR HG21 H -11.384 0.457 8.899 1.00 . A A . 10 THR HG21 1 1 5 2245 1 1 10 THR HG22 H -11.281 0.310 7.144 1.00 . A A . 10 THR HG22 1 1 5 2246 1 1 10 THR HG23 H -10.910 -1.077 8.170 1.00 . A A . 10 THR HG23 1 1 5 2247 1 1 10 THR N N -12.468 -1.420 5.739 1.00 . A A . 10 THR N 1 1 5 2248 1 1 10 THR O O -15.297 -0.605 6.131 1.00 . A A . 10 THR O 1 1 5 2249 1 1 10 THR OG1 O -13.765 0.542 7.833 1.00 . A A . 10 THR OG1 1 1 5 2250 1 1 11 LYS C C -17.130 -3.369 5.109 1.00 . A A . 11 LYS C 1 1 5 2251 1 1 11 LYS CA C -16.861 -2.941 6.546 1.00 . A A . 11 LYS CA 1 1 5 2252 1 1 11 LYS CB C -17.658 -1.674 6.882 1.00 . A A . 11 LYS CB 1 1 5 2253 1 1 11 LYS CD C -18.550 -1.960 9.206 1.00 . A A . 11 LYS CD 1 1 5 2254 1 1 11 LYS CE C -19.901 -1.264 9.183 1.00 . A A . 11 LYS CE 1 1 5 2255 1 1 11 LYS CG C -17.540 -1.244 8.328 1.00 . A A . 11 LYS CG 1 1 5 2256 1 1 11 LYS H H -14.925 -3.532 7.153 1.00 . A A . 11 LYS H 1 1 5 2257 1 1 11 LYS HA H -17.199 -3.735 7.196 1.00 . A A . 11 LYS HA 1 1 5 2258 1 1 11 LYS HB2 H -17.318 -0.861 6.263 1.00 . A A . 11 LYS HB2 1 1 5 2259 1 1 11 LYS HB3 H -18.699 -1.858 6.670 1.00 . A A . 11 LYS HB3 1 1 5 2260 1 1 11 LYS HD2 H -18.671 -2.971 8.846 1.00 . A A . 11 LYS HD2 1 1 5 2261 1 1 11 LYS HD3 H -18.182 -1.980 10.221 1.00 . A A . 11 LYS HD3 1 1 5 2262 1 1 11 LYS HE2 H -20.505 -1.650 9.990 1.00 . A A . 11 LYS HE2 1 1 5 2263 1 1 11 LYS HE3 H -19.747 -0.204 9.323 1.00 . A A . 11 LYS HE3 1 1 5 2264 1 1 11 LYS HG2 H -16.547 -1.470 8.678 1.00 . A A . 11 LYS HG2 1 1 5 2265 1 1 11 LYS HG3 H -17.711 -0.181 8.385 1.00 . A A . 11 LYS HG3 1 1 5 2266 1 1 11 LYS HZ1 H -21.641 -1.358 8.030 1.00 . A A . 11 LYS HZ1 1 1 5 2267 1 1 11 LYS HZ2 H -20.440 -2.447 7.547 1.00 . A A . 11 LYS HZ2 1 1 5 2268 1 1 11 LYS HZ3 H -20.286 -0.803 7.181 1.00 . A A . 11 LYS HZ3 1 1 5 2269 1 1 11 LYS N N -15.428 -2.770 6.796 1.00 . A A . 11 LYS N 1 1 5 2270 1 1 11 LYS NZ N -20.617 -1.483 7.895 1.00 . A A . 11 LYS NZ 1 1 5 2271 1 1 11 LYS O O -17.271 -4.557 4.819 1.00 . A A . 11 LYS O 1 1 5 2272 1 1 12 SER C C -16.863 -1.613 1.902 1.00 . A A . 12 SER C 1 1 5 2273 1 1 12 SER CA C -17.490 -2.667 2.809 1.00 . A A . 12 SER CA 1 1 5 2274 1 1 12 SER CB C -18.998 -2.730 2.567 1.00 . A A . 12 SER CB 1 1 5 2275 1 1 12 SER H H -17.107 -1.462 4.515 1.00 . A A . 12 SER H 1 1 5 2276 1 1 12 SER HA H -17.061 -3.628 2.575 1.00 . A A . 12 SER HA 1 1 5 2277 1 1 12 SER HB2 H -19.187 -2.883 1.515 1.00 . A A . 12 SER HB2 1 1 5 2278 1 1 12 SER HB3 H -19.418 -3.550 3.131 1.00 . A A . 12 SER HB3 1 1 5 2279 1 1 12 SER HG H -19.321 -1.282 3.848 1.00 . A A . 12 SER HG 1 1 5 2280 1 1 12 SER N N -17.218 -2.391 4.217 1.00 . A A . 12 SER N 1 1 5 2281 1 1 12 SER O O -17.399 -1.299 0.840 1.00 . A A . 12 SER O 1 1 5 2282 1 1 12 SER OG O -19.631 -1.528 2.972 1.00 . A A . 12 SER OG 1 1 5 2283 1 1 13 GLY C C -13.596 0.076 1.923 1.00 . A A . 13 GLY C 1 1 5 2284 1 1 13 GLY CA C -15.053 -0.057 1.541 1.00 . A A . 13 GLY CA 1 1 5 2285 1 1 13 GLY H H -15.350 -1.358 3.184 1.00 . A A . 13 GLY H 1 1 5 2286 1 1 13 GLY HA2 H -15.119 -0.323 0.496 1.00 . A A . 13 GLY HA2 1 1 5 2287 1 1 13 GLY HA3 H -15.542 0.893 1.694 1.00 . A A . 13 GLY HA3 1 1 5 2288 1 1 13 GLY N N -15.731 -1.070 2.328 1.00 . A A . 13 GLY N 1 1 5 2289 1 1 13 GLY O O -13.244 -0.060 3.094 1.00 . A A . 13 GLY O 1 1 5 2290 1 1 14 CYS C C -10.917 1.931 1.325 1.00 . A A . 14 CYS C 1 1 5 2291 1 1 14 CYS CA C -11.322 0.475 1.199 1.00 . A A . 14 CYS CA 1 1 5 2292 1 1 14 CYS CB C -10.498 -0.205 0.115 1.00 . A A . 14 CYS CB 1 1 5 2293 1 1 14 CYS H H -13.077 0.424 0.023 1.00 . A A . 14 CYS H 1 1 5 2294 1 1 14 CYS HA H -11.111 -0.005 2.134 1.00 . A A . 14 CYS HA 1 1 5 2295 1 1 14 CYS HB2 H -10.666 0.295 -0.824 1.00 . A A . 14 CYS HB2 1 1 5 2296 1 1 14 CYS HB3 H -9.456 -0.127 0.383 1.00 . A A . 14 CYS HB3 1 1 5 2297 1 1 14 CYS N N -12.744 0.333 0.940 1.00 . A A . 14 CYS N 1 1 5 2298 1 1 14 CYS O O -11.369 2.793 0.572 1.00 . A A . 14 CYS O 1 1 5 2299 1 1 14 CYS SG S -10.877 -1.971 -0.115 1.00 . A A . 14 CYS SG 1 1 5 2300 1 1 15 SER C C -8.005 3.512 2.508 1.00 . A A . 15 SER C 1 1 5 2301 1 1 15 SER CA C -9.526 3.521 2.540 1.00 . A A . 15 SER CA 1 1 5 2302 1 1 15 SER CB C -10.019 4.033 3.896 1.00 . A A . 15 SER CB 1 1 5 2303 1 1 15 SER H H -9.718 1.428 2.832 1.00 . A A . 15 SER H 1 1 5 2304 1 1 15 SER HA H -9.888 4.175 1.761 1.00 . A A . 15 SER HA 1 1 5 2305 1 1 15 SER HB2 H -9.462 4.917 4.169 1.00 . A A . 15 SER HB2 1 1 5 2306 1 1 15 SER HB3 H -11.069 4.277 3.827 1.00 . A A . 15 SER HB3 1 1 5 2307 1 1 15 SER HG H -8.951 2.703 4.860 1.00 . A A . 15 SER HG 1 1 5 2308 1 1 15 SER N N -10.040 2.180 2.283 1.00 . A A . 15 SER N 1 1 5 2309 1 1 15 SER O O -7.393 2.448 2.433 1.00 . A A . 15 SER O 1 1 5 2310 1 1 15 SER OG O -9.844 3.053 4.905 1.00 . A A . 15 SER OG 1 1 5 2311 1 1 16 VAL C C -5.435 5.806 3.547 1.00 . A A . 16 VAL C 1 1 5 2312 1 1 16 VAL CA C -5.944 4.797 2.529 1.00 . A A . 16 VAL CA 1 1 5 2313 1 1 16 VAL CB C -5.420 5.213 1.137 1.00 . A A . 16 VAL CB 1 1 5 2314 1 1 16 VAL CG1 C -3.902 5.215 1.104 1.00 . A A . 16 VAL CG1 1 1 5 2315 1 1 16 VAL CG2 C -5.936 4.290 0.067 1.00 . A A . 16 VAL CG2 1 1 5 2316 1 1 16 VAL H H -7.937 5.511 2.606 1.00 . A A . 16 VAL H 1 1 5 2317 1 1 16 VAL HA H -5.540 3.826 2.764 1.00 . A A . 16 VAL HA 1 1 5 2318 1 1 16 VAL HB H -5.770 6.211 0.924 1.00 . A A . 16 VAL HB 1 1 5 2319 1 1 16 VAL HG11 H -3.520 5.085 2.103 1.00 . A A . 16 VAL HG11 1 1 5 2320 1 1 16 VAL HG12 H -3.555 6.151 0.699 1.00 . A A . 16 VAL HG12 1 1 5 2321 1 1 16 VAL HG13 H -3.557 4.402 0.480 1.00 . A A . 16 VAL HG13 1 1 5 2322 1 1 16 VAL HG21 H -5.181 4.189 -0.702 1.00 . A A . 16 VAL HG21 1 1 5 2323 1 1 16 VAL HG22 H -6.837 4.703 -0.360 1.00 . A A . 16 VAL HG22 1 1 5 2324 1 1 16 VAL HG23 H -6.139 3.323 0.505 1.00 . A A . 16 VAL HG23 1 1 5 2325 1 1 16 VAL N N -7.398 4.694 2.555 1.00 . A A . 16 VAL N 1 1 5 2326 1 1 16 VAL O O -5.968 6.911 3.664 1.00 . A A . 16 VAL O 1 1 5 2327 1 1 17 ASN C C -2.536 6.985 4.581 1.00 . A A . 17 ASN C 1 1 5 2328 1 1 17 ASN CA C -3.756 6.327 5.220 1.00 . A A . 17 ASN CA 1 1 5 2329 1 1 17 ASN CB C -3.357 5.555 6.478 1.00 . A A . 17 ASN CB 1 1 5 2330 1 1 17 ASN CG C -2.720 6.448 7.527 1.00 . A A . 17 ASN CG 1 1 5 2331 1 1 17 ASN H H -3.974 4.557 4.086 1.00 . A A . 17 ASN H 1 1 5 2332 1 1 17 ASN HA H -4.474 7.092 5.480 1.00 . A A . 17 ASN HA 1 1 5 2333 1 1 17 ASN HB2 H -4.239 5.100 6.908 1.00 . A A . 17 ASN HB2 1 1 5 2334 1 1 17 ASN HB3 H -2.652 4.784 6.210 1.00 . A A . 17 ASN HB3 1 1 5 2335 1 1 17 ASN HD21 H -1.581 4.943 8.151 1.00 . A A . 17 ASN HD21 1 1 5 2336 1 1 17 ASN HD22 H -1.369 6.442 8.985 1.00 . A A . 17 ASN HD22 1 1 5 2337 1 1 17 ASN N N -4.373 5.438 4.248 1.00 . A A . 17 ASN N 1 1 5 2338 1 1 17 ASN ND2 N -1.797 5.888 8.299 1.00 . A A . 17 ASN ND2 1 1 5 2339 1 1 17 ASN O O -1.591 7.369 5.263 1.00 . A A . 17 ASN O 1 1 5 2340 1 1 17 ASN OD1 O -3.054 7.627 7.640 1.00 . A A . 17 ASN OD1 1 1 5 2341 1 1 18 TRP C C -0.196 7.751 3.070 1.00 . A A . 18 TRP C 1 1 5 2342 1 1 18 TRP CA C -1.563 7.690 2.405 1.00 . A A . 18 TRP CA 1 1 5 2343 1 1 18 TRP CB C -2.024 9.056 1.902 1.00 . A A . 18 TRP CB 1 1 5 2344 1 1 18 TRP CD1 C -4.391 9.280 0.929 1.00 . A A . 18 TRP CD1 1 1 5 2345 1 1 18 TRP CD2 C -2.920 8.268 -0.411 1.00 . A A . 18 TRP CD2 1 1 5 2346 1 1 18 TRP CE2 C -4.161 8.306 -1.062 1.00 . A A . 18 TRP CE2 1 1 5 2347 1 1 18 TRP CE3 C -1.837 7.675 -1.056 1.00 . A A . 18 TRP CE3 1 1 5 2348 1 1 18 TRP CG C -3.081 8.905 0.854 1.00 . A A . 18 TRP CG 1 1 5 2349 1 1 18 TRP CH2 C -3.273 7.193 -2.937 1.00 . A A . 18 TRP CH2 1 1 5 2350 1 1 18 TRP CZ2 C -4.349 7.771 -2.329 1.00 . A A . 18 TRP CZ2 1 1 5 2351 1 1 18 TRP CZ3 C -2.025 7.141 -2.312 1.00 . A A . 18 TRP CZ3 1 1 5 2352 1 1 18 TRP H H -3.404 6.770 2.804 1.00 . A A . 18 TRP H 1 1 5 2353 1 1 18 TRP HA H -1.465 7.040 1.543 1.00 . A A . 18 TRP HA 1 1 5 2354 1 1 18 TRP HB2 H -2.432 9.626 2.725 1.00 . A A . 18 TRP HB2 1 1 5 2355 1 1 18 TRP HB3 H -1.188 9.585 1.470 1.00 . A A . 18 TRP HB3 1 1 5 2356 1 1 18 TRP HD1 H -4.836 9.776 1.773 1.00 . A A . 18 TRP HD1 1 1 5 2357 1 1 18 TRP HE1 H -5.992 9.097 -0.417 1.00 . A A . 18 TRP HE1 1 1 5 2358 1 1 18 TRP HE3 H -0.870 7.621 -0.582 1.00 . A A . 18 TRP HE3 1 1 5 2359 1 1 18 TRP HH2 H -3.378 6.754 -3.915 1.00 . A A . 18 TRP HH2 1 1 5 2360 1 1 18 TRP HZ2 H -5.306 7.804 -2.828 1.00 . A A . 18 TRP HZ2 1 1 5 2361 1 1 18 TRP HZ3 H -1.198 6.674 -2.828 1.00 . A A . 18 TRP HZ3 1 1 5 2362 1 1 18 TRP N N -2.604 7.100 3.248 1.00 . A A . 18 TRP N 1 1 5 2363 1 1 18 TRP NE1 N -5.045 8.929 -0.225 1.00 . A A . 18 TRP NE1 1 1 5 2364 1 1 18 TRP O O 0.706 7.024 2.666 1.00 . A A . 18 TRP O 1 1 5 2365 1 1 19 GLY C C 1.814 7.275 5.037 1.00 . A A . 19 GLY C 1 1 5 2366 1 1 19 GLY CA C 1.254 8.660 4.756 1.00 . A A . 19 GLY CA 1 1 5 2367 1 1 19 GLY H H -0.780 9.142 4.388 1.00 . A A . 19 GLY H 1 1 5 2368 1 1 19 GLY HA2 H 1.947 9.193 4.117 1.00 . A A . 19 GLY HA2 1 1 5 2369 1 1 19 GLY HA3 H 1.144 9.196 5.686 1.00 . A A . 19 GLY HA3 1 1 5 2370 1 1 19 GLY N N -0.032 8.588 4.086 1.00 . A A . 19 GLY N 1 1 5 2371 1 1 19 GLY O O 3.028 7.071 5.016 1.00 . A A . 19 GLY O 1 1 5 2372 1 1 20 GLU C C 1.745 4.290 4.195 1.00 . A A . 20 GLU C 1 1 5 2373 1 1 20 GLU CA C 1.323 4.933 5.511 1.00 . A A . 20 GLU CA 1 1 5 2374 1 1 20 GLU CB C 0.184 4.131 6.153 1.00 . A A . 20 GLU CB 1 1 5 2375 1 1 20 GLU CD C 1.354 2.268 7.395 1.00 . A A . 20 GLU CD 1 1 5 2376 1 1 20 GLU CG C 0.546 3.546 7.509 1.00 . A A . 20 GLU CG 1 1 5 2377 1 1 20 GLU H H -0.037 6.538 5.244 1.00 . A A . 20 GLU H 1 1 5 2378 1 1 20 GLU HA H 2.170 4.948 6.182 1.00 . A A . 20 GLU HA 1 1 5 2379 1 1 20 GLU HB2 H -0.671 4.778 6.282 1.00 . A A . 20 GLU HB2 1 1 5 2380 1 1 20 GLU HB3 H -0.089 3.314 5.497 1.00 . A A . 20 GLU HB3 1 1 5 2381 1 1 20 GLU HG2 H 1.128 4.273 8.054 1.00 . A A . 20 GLU HG2 1 1 5 2382 1 1 20 GLU HG3 H -0.364 3.334 8.049 1.00 . A A . 20 GLU HG3 1 1 5 2383 1 1 20 GLU N N 0.917 6.315 5.266 1.00 . A A . 20 GLU N 1 1 5 2384 1 1 20 GLU O O 2.775 3.620 4.113 1.00 . A A . 20 GLU O 1 1 5 2385 1 1 20 GLU OE1 O 1.426 1.706 6.281 1.00 . A A . 20 GLU OE1 1 1 5 2386 1 1 20 GLU OE2 O 1.913 1.826 8.422 1.00 . A A . 20 GLU OE2 1 1 5 2387 1 1 21 ALA C C 2.440 4.720 1.247 1.00 . A A . 21 ALA C 1 1 5 2388 1 1 21 ALA CA C 1.232 4.011 1.830 1.00 . A A . 21 ALA CA 1 1 5 2389 1 1 21 ALA CB C 0.036 4.230 0.933 1.00 . A A . 21 ALA CB 1 1 5 2390 1 1 21 ALA H H 0.149 5.088 3.286 1.00 . A A . 21 ALA H 1 1 5 2391 1 1 21 ALA HA H 1.430 2.951 1.903 1.00 . A A . 21 ALA HA 1 1 5 2392 1 1 21 ALA HB1 H 0.121 3.604 0.060 1.00 . A A . 21 ALA HB1 1 1 5 2393 1 1 21 ALA HB2 H 0.009 5.269 0.636 1.00 . A A . 21 ALA HB2 1 1 5 2394 1 1 21 ALA HB3 H -0.866 3.986 1.472 1.00 . A A . 21 ALA HB3 1 1 5 2395 1 1 21 ALA N N 0.948 4.531 3.158 1.00 . A A . 21 ALA N 1 1 5 2396 1 1 21 ALA O O 3.256 4.121 0.546 1.00 . A A . 21 ALA O 1 1 5 2397 1 1 22 PHE C C 4.961 6.175 1.611 1.00 . A A . 22 PHE C 1 1 5 2398 1 1 22 PHE CA C 3.674 6.809 1.122 1.00 . A A . 22 PHE CA 1 1 5 2399 1 1 22 PHE CB C 3.543 8.224 1.688 1.00 . A A . 22 PHE CB 1 1 5 2400 1 1 22 PHE CD1 C 5.847 9.201 1.559 1.00 . A A . 22 PHE CD1 1 1 5 2401 1 1 22 PHE CD2 C 4.149 10.115 0.158 1.00 . A A . 22 PHE CD2 1 1 5 2402 1 1 22 PHE CE1 C 6.762 10.098 1.042 1.00 . A A . 22 PHE CE1 1 1 5 2403 1 1 22 PHE CE2 C 5.059 11.016 -0.363 1.00 . A A . 22 PHE CE2 1 1 5 2404 1 1 22 PHE CG C 4.533 9.200 1.124 1.00 . A A . 22 PHE CG 1 1 5 2405 1 1 22 PHE CZ C 6.367 11.007 0.079 1.00 . A A . 22 PHE CZ 1 1 5 2406 1 1 22 PHE H H 1.885 6.406 2.156 1.00 . A A . 22 PHE H 1 1 5 2407 1 1 22 PHE HA H 3.668 6.842 0.041 1.00 . A A . 22 PHE HA 1 1 5 2408 1 1 22 PHE HB2 H 2.553 8.597 1.479 1.00 . A A . 22 PHE HB2 1 1 5 2409 1 1 22 PHE HB3 H 3.686 8.184 2.759 1.00 . A A . 22 PHE HB3 1 1 5 2410 1 1 22 PHE HD1 H 6.155 8.489 2.312 1.00 . A A . 22 PHE HD1 1 1 5 2411 1 1 22 PHE HD2 H 3.126 10.123 -0.188 1.00 . A A . 22 PHE HD2 1 1 5 2412 1 1 22 PHE HE1 H 7.785 10.089 1.389 1.00 . A A . 22 PHE HE1 1 1 5 2413 1 1 22 PHE HE2 H 4.747 11.725 -1.116 1.00 . A A . 22 PHE HE2 1 1 5 2414 1 1 22 PHE HZ H 7.081 11.710 -0.326 1.00 . A A . 22 PHE HZ 1 1 5 2415 1 1 22 PHE N N 2.560 5.999 1.575 1.00 . A A . 22 PHE N 1 1 5 2416 1 1 22 PHE O O 5.964 6.129 0.904 1.00 . A A . 22 PHE O 1 1 5 2417 1 1 23 SER C C 6.311 3.674 2.707 1.00 . A A . 23 SER C 1 1 5 2418 1 1 23 SER CA C 6.027 4.978 3.442 1.00 . A A . 23 SER CA 1 1 5 2419 1 1 23 SER CB C 5.746 4.695 4.919 1.00 . A A . 23 SER CB 1 1 5 2420 1 1 23 SER H H 4.039 5.707 3.315 1.00 . A A . 23 SER H 1 1 5 2421 1 1 23 SER HA H 6.890 5.624 3.360 1.00 . A A . 23 SER HA 1 1 5 2422 1 1 23 SER HB2 H 5.768 5.622 5.471 1.00 . A A . 23 SER HB2 1 1 5 2423 1 1 23 SER HB3 H 4.771 4.240 5.016 1.00 . A A . 23 SER HB3 1 1 5 2424 1 1 23 SER HG H 7.074 4.195 6.269 1.00 . A A . 23 SER HG 1 1 5 2425 1 1 23 SER N N 4.893 5.655 2.828 1.00 . A A . 23 SER N 1 1 5 2426 1 1 23 SER O O 7.455 3.226 2.624 1.00 . A A . 23 SER O 1 1 5 2427 1 1 23 SER OG O 6.717 3.817 5.462 1.00 . A A . 23 SER OG 1 1 5 2428 1 1 24 ALA C C 5.946 2.056 0.059 1.00 . A A . 24 ALA C 1 1 5 2429 1 1 24 ALA CA C 5.359 1.821 1.445 1.00 . A A . 24 ALA CA 1 1 5 2430 1 1 24 ALA CB C 3.992 1.164 1.332 1.00 . A A . 24 ALA CB 1 1 5 2431 1 1 24 ALA H H 4.365 3.488 2.283 1.00 . A A . 24 ALA H 1 1 5 2432 1 1 24 ALA HA H 6.011 1.161 2.000 1.00 . A A . 24 ALA HA 1 1 5 2433 1 1 24 ALA HB1 H 3.486 1.546 0.457 1.00 . A A . 24 ALA HB1 1 1 5 2434 1 1 24 ALA HB2 H 3.410 1.391 2.213 1.00 . A A . 24 ALA HB2 1 1 5 2435 1 1 24 ALA HB3 H 4.112 0.095 1.242 1.00 . A A . 24 ALA HB3 1 1 5 2436 1 1 24 ALA N N 5.249 3.074 2.177 1.00 . A A . 24 ALA N 1 1 5 2437 1 1 24 ALA O O 6.874 1.365 -0.361 1.00 . A A . 24 ALA O 1 1 5 2438 1 1 25 GLY C C 7.285 3.911 -1.967 1.00 . A A . 25 GLY C 1 1 5 2439 1 1 25 GLY CA C 5.876 3.351 -1.975 1.00 . A A . 25 GLY CA 1 1 5 2440 1 1 25 GLY H H 4.657 3.551 -0.256 1.00 . A A . 25 GLY H 1 1 5 2441 1 1 25 GLY HA2 H 5.861 2.450 -2.572 1.00 . A A . 25 GLY HA2 1 1 5 2442 1 1 25 GLY HA3 H 5.216 4.075 -2.426 1.00 . A A . 25 GLY HA3 1 1 5 2443 1 1 25 GLY N N 5.396 3.037 -0.645 1.00 . A A . 25 GLY N 1 1 5 2444 1 1 25 GLY O O 8.063 3.649 -2.882 1.00 . A A . 25 GLY O 1 1 5 2445 1 1 26 VAL C C 9.995 4.166 -0.636 1.00 . A A . 26 VAL C 1 1 5 2446 1 1 26 VAL CA C 8.957 5.261 -0.824 1.00 . A A . 26 VAL CA 1 1 5 2447 1 1 26 VAL CB C 9.067 6.261 0.344 1.00 . A A . 26 VAL CB 1 1 5 2448 1 1 26 VAL CG1 C 10.505 6.722 0.517 1.00 . A A . 26 VAL CG1 1 1 5 2449 1 1 26 VAL CG2 C 8.155 7.453 0.115 1.00 . A A . 26 VAL CG2 1 1 5 2450 1 1 26 VAL H H 6.963 4.853 -0.226 1.00 . A A . 26 VAL H 1 1 5 2451 1 1 26 VAL HA H 9.170 5.787 -1.746 1.00 . A A . 26 VAL HA 1 1 5 2452 1 1 26 VAL HB H 8.757 5.765 1.253 1.00 . A A . 26 VAL HB 1 1 5 2453 1 1 26 VAL HG11 H 10.528 7.619 1.118 1.00 . A A . 26 VAL HG11 1 1 5 2454 1 1 26 VAL HG12 H 10.933 6.927 -0.453 1.00 . A A . 26 VAL HG12 1 1 5 2455 1 1 26 VAL HG13 H 11.076 5.946 1.007 1.00 . A A . 26 VAL HG13 1 1 5 2456 1 1 26 VAL HG21 H 7.311 7.150 -0.484 1.00 . A A . 26 VAL HG21 1 1 5 2457 1 1 26 VAL HG22 H 8.702 8.231 -0.397 1.00 . A A . 26 VAL HG22 1 1 5 2458 1 1 26 VAL HG23 H 7.807 7.825 1.067 1.00 . A A . 26 VAL HG23 1 1 5 2459 1 1 26 VAL N N 7.621 4.679 -0.932 1.00 . A A . 26 VAL N 1 1 5 2460 1 1 26 VAL O O 11.074 4.221 -1.217 1.00 . A A . 26 VAL O 1 1 5 2461 1 1 27 HIS C C 10.834 1.332 -0.916 1.00 . A A . 27 HIS C 1 1 5 2462 1 1 27 HIS CA C 10.580 2.059 0.396 1.00 . A A . 27 HIS CA 1 1 5 2463 1 1 27 HIS CB C 10.006 1.093 1.435 1.00 . A A . 27 HIS CB 1 1 5 2464 1 1 27 HIS CD2 C 9.345 1.192 3.936 1.00 . A A . 27 HIS CD2 1 1 5 2465 1 1 27 HIS CE1 C 9.711 3.323 4.263 1.00 . A A . 27 HIS CE1 1 1 5 2466 1 1 27 HIS CG C 9.775 1.721 2.766 1.00 . A A . 27 HIS CG 1 1 5 2467 1 1 27 HIS H H 8.782 3.161 0.596 1.00 . A A . 27 HIS H 1 1 5 2468 1 1 27 HIS HA H 11.513 2.468 0.765 1.00 . A A . 27 HIS HA 1 1 5 2469 1 1 27 HIS HB2 H 9.061 0.713 1.084 1.00 . A A . 27 HIS HB2 1 1 5 2470 1 1 27 HIS HB3 H 10.692 0.273 1.572 1.00 . A A . 27 HIS HB3 1 1 5 2471 1 1 27 HIS HD1 H 10.309 3.711 2.350 1.00 . A A . 27 HIS HD1 1 1 5 2472 1 1 27 HIS HD2 H 9.077 0.160 4.114 1.00 . A A . 27 HIS HD2 1 1 5 2473 1 1 27 HIS HE1 H 9.788 4.286 4.728 1.00 . A A . 27 HIS HE1 1 1 5 2474 1 1 27 HIS HE2 H 9.155 2.107 5.813 1.00 . A A . 27 HIS HE2 1 1 5 2475 1 1 27 HIS N N 9.662 3.164 0.163 1.00 . A A . 27 HIS N 1 1 5 2476 1 1 27 HIS ND1 N 9.993 3.055 3.007 1.00 . A A . 27 HIS ND1 1 1 5 2477 1 1 27 HIS NE2 N 9.314 2.211 4.852 1.00 . A A . 27 HIS NE2 1 1 5 2478 1 1 27 HIS O O 11.973 1.181 -1.348 1.00 . A A . 27 HIS O 1 1 5 2479 1 1 28 ARG C C 10.449 1.124 -3.905 1.00 . A A . 28 ARG C 1 1 5 2480 1 1 28 ARG CA C 9.839 0.216 -2.835 1.00 . A A . 28 ARG CA 1 1 5 2481 1 1 28 ARG CB C 8.437 -0.239 -3.258 1.00 . A A . 28 ARG CB 1 1 5 2482 1 1 28 ARG CD C 8.997 -2.121 -4.823 1.00 . A A . 28 ARG CD 1 1 5 2483 1 1 28 ARG CG C 8.348 -0.754 -4.685 1.00 . A A . 28 ARG CG 1 1 5 2484 1 1 28 ARG CZ C 10.877 -1.857 -6.395 1.00 . A A . 28 ARG CZ 1 1 5 2485 1 1 28 ARG H H 8.871 1.084 -1.169 1.00 . A A . 28 ARG H 1 1 5 2486 1 1 28 ARG HA H 10.469 -0.651 -2.705 1.00 . A A . 28 ARG HA 1 1 5 2487 1 1 28 ARG HB2 H 8.115 -1.029 -2.596 1.00 . A A . 28 ARG HB2 1 1 5 2488 1 1 28 ARG HB3 H 7.758 0.596 -3.158 1.00 . A A . 28 ARG HB3 1 1 5 2489 1 1 28 ARG HD2 H 8.895 -2.649 -3.886 1.00 . A A . 28 ARG HD2 1 1 5 2490 1 1 28 ARG HD3 H 8.489 -2.671 -5.601 1.00 . A A . 28 ARG HD3 1 1 5 2491 1 1 28 ARG HE H 11.058 -2.078 -4.420 1.00 . A A . 28 ARG HE 1 1 5 2492 1 1 28 ARG HG2 H 7.307 -0.830 -4.964 1.00 . A A . 28 ARG HG2 1 1 5 2493 1 1 28 ARG HG3 H 8.847 -0.058 -5.342 1.00 . A A . 28 ARG HG3 1 1 5 2494 1 1 28 ARG HH11 H 9.051 -1.839 -7.267 1.00 . A A . 28 ARG HH11 1 1 5 2495 1 1 28 ARG HH12 H 10.391 -1.653 -8.347 1.00 . A A . 28 ARG HH12 1 1 5 2496 1 1 28 ARG HH21 H 12.819 -1.832 -5.840 1.00 . A A . 28 ARG HH21 1 1 5 2497 1 1 28 ARG HH22 H 12.530 -1.649 -7.538 1.00 . A A . 28 ARG HH22 1 1 5 2498 1 1 28 ARG N N 9.754 0.912 -1.558 1.00 . A A . 28 ARG N 1 1 5 2499 1 1 28 ARG NE N 10.415 -2.021 -5.157 1.00 . A A . 28 ARG NE 1 1 5 2500 1 1 28 ARG NH1 N 10.037 -1.776 -7.421 1.00 . A A . 28 ARG NH1 1 1 5 2501 1 1 28 ARG NH2 N 12.182 -1.773 -6.609 1.00 . A A . 28 ARG NH2 1 1 5 2502 1 1 28 ARG O O 11.200 0.668 -4.767 1.00 . A A . 28 ARG O 1 1 5 2503 1 1 29 LEU C C 12.098 3.687 -4.548 1.00 . A A . 29 LEU C 1 1 5 2504 1 1 29 LEU CA C 10.624 3.393 -4.785 1.00 . A A . 29 LEU CA 1 1 5 2505 1 1 29 LEU CB C 9.816 4.687 -4.653 1.00 . A A . 29 LEU CB 1 1 5 2506 1 1 29 LEU CD1 C 11.544 6.510 -4.821 1.00 . A A . 29 LEU CD1 1 1 5 2507 1 1 29 LEU CD2 C 10.627 5.462 -6.903 1.00 . A A . 29 LEU CD2 1 1 5 2508 1 1 29 LEU CG C 10.322 5.880 -5.472 1.00 . A A . 29 LEU CG 1 1 5 2509 1 1 29 LEU H H 9.524 2.709 -3.117 1.00 . A A . 29 LEU H 1 1 5 2510 1 1 29 LEU HA H 10.496 3.000 -5.778 1.00 . A A . 29 LEU HA 1 1 5 2511 1 1 29 LEU HB2 H 8.800 4.480 -4.955 1.00 . A A . 29 LEU HB2 1 1 5 2512 1 1 29 LEU HB3 H 9.810 4.974 -3.613 1.00 . A A . 29 LEU HB3 1 1 5 2513 1 1 29 LEU HD11 H 11.510 6.344 -3.755 1.00 . A A . 29 LEU HD11 1 1 5 2514 1 1 29 LEU HD12 H 11.548 7.574 -5.020 1.00 . A A . 29 LEU HD12 1 1 5 2515 1 1 29 LEU HD13 H 12.440 6.065 -5.228 1.00 . A A . 29 LEU HD13 1 1 5 2516 1 1 29 LEU HD21 H 10.636 6.334 -7.539 1.00 . A A . 29 LEU HD21 1 1 5 2517 1 1 29 LEU HD22 H 9.868 4.773 -7.246 1.00 . A A . 29 LEU HD22 1 1 5 2518 1 1 29 LEU HD23 H 11.593 4.980 -6.939 1.00 . A A . 29 LEU HD23 1 1 5 2519 1 1 29 LEU HG H 9.549 6.626 -5.500 1.00 . A A . 29 LEU HG 1 1 5 2520 1 1 29 LEU N N 10.120 2.409 -3.835 1.00 . A A . 29 LEU N 1 1 5 2521 1 1 29 LEU O O 12.945 3.499 -5.422 1.00 . A A . 29 LEU O 1 1 5 2522 1 1 30 ALA C C 14.672 3.410 -2.807 1.00 . A A . 30 ALA C 1 1 5 2523 1 1 30 ALA CA C 13.709 4.588 -2.949 1.00 . A A . 30 ALA CA 1 1 5 2524 1 1 30 ALA CB C 13.614 5.343 -1.635 1.00 . A A . 30 ALA CB 1 1 5 2525 1 1 30 ALA H H 11.625 4.346 -2.744 1.00 . A A . 30 ALA H 1 1 5 2526 1 1 30 ALA HA H 14.097 5.268 -3.691 1.00 . A A . 30 ALA HA 1 1 5 2527 1 1 30 ALA HB1 H 13.706 4.647 -0.814 1.00 . A A . 30 ALA HB1 1 1 5 2528 1 1 30 ALA HB2 H 12.654 5.839 -1.578 1.00 . A A . 30 ALA HB2 1 1 5 2529 1 1 30 ALA HB3 H 14.405 6.076 -1.579 1.00 . A A . 30 ALA HB3 1 1 5 2530 1 1 30 ALA N N 12.370 4.193 -3.360 1.00 . A A . 30 ALA N 1 1 5 2531 1 1 30 ALA O O 15.887 3.595 -2.873 1.00 . A A . 30 ALA O 1 1 5 2532 1 1 31 ASN C C 15.468 0.531 -3.825 1.00 . A A . 31 ASN C 1 1 5 2533 1 1 31 ASN CA C 15.017 1.036 -2.460 1.00 . A A . 31 ASN CA 1 1 5 2534 1 1 31 ASN CB C 14.316 -0.084 -1.685 1.00 . A A . 31 ASN CB 1 1 5 2535 1 1 31 ASN CG C 15.286 -1.144 -1.196 1.00 . A A . 31 ASN CG 1 1 5 2536 1 1 31 ASN H H 13.177 2.097 -2.553 1.00 . A A . 31 ASN H 1 1 5 2537 1 1 31 ASN HA H 15.890 1.349 -1.907 1.00 . A A . 31 ASN HA 1 1 5 2538 1 1 31 ASN HB2 H 13.818 0.337 -0.824 1.00 . A A . 31 ASN HB2 1 1 5 2539 1 1 31 ASN HB3 H 13.585 -0.558 -2.325 1.00 . A A . 31 ASN HB3 1 1 5 2540 1 1 31 ASN HD21 H 15.356 -1.959 -3.009 1.00 . A A . 31 ASN HD21 1 1 5 2541 1 1 31 ASN HD22 H 16.323 -2.727 -1.801 1.00 . A A . 31 ASN HD22 1 1 5 2542 1 1 31 ASN N N 14.150 2.205 -2.606 1.00 . A A . 31 ASN N 1 1 5 2543 1 1 31 ASN ND2 N 15.697 -2.033 -2.093 1.00 . A A . 31 ASN ND2 1 1 5 2544 1 1 31 ASN O O 15.065 -0.546 -4.267 1.00 . A A . 31 ASN O 1 1 5 2545 1 1 31 ASN OD1 O 15.664 -1.161 -0.024 1.00 . A A . 31 ASN OD1 1 1 5 2546 1 1 32 GLY C C 17.554 -0.379 -5.768 1.00 . A A . 32 GLY C 1 1 5 2547 1 1 32 GLY CA C 16.803 0.937 -5.800 1.00 . A A . 32 GLY CA 1 1 5 2548 1 1 32 GLY H H 16.594 2.165 -4.090 1.00 . A A . 32 GLY H 1 1 5 2549 1 1 32 GLY HA2 H 15.967 0.846 -6.477 1.00 . A A . 32 GLY HA2 1 1 5 2550 1 1 32 GLY HA3 H 17.466 1.708 -6.162 1.00 . A A . 32 GLY HA3 1 1 5 2551 1 1 32 GLY N N 16.307 1.318 -4.492 1.00 . A A . 32 GLY N 1 1 5 2552 1 1 32 GLY O O 17.393 -1.216 -6.656 1.00 . A A . 32 GLY O 1 1 5 2553 1 1 33 GLY C C 20.621 -1.582 -4.827 1.00 . A A . 33 GLY C 1 1 5 2554 1 1 33 GLY CA C 19.136 -1.789 -4.604 1.00 . A A . 33 GLY CA 1 1 5 2555 1 1 33 GLY H H 18.456 0.139 -4.059 1.00 . A A . 33 GLY H 1 1 5 2556 1 1 33 GLY HA2 H 18.986 -2.186 -3.610 1.00 . A A . 33 GLY HA2 1 1 5 2557 1 1 33 GLY HA3 H 18.773 -2.510 -5.325 1.00 . A A . 33 GLY HA3 1 1 5 2558 1 1 33 GLY N N 18.372 -0.563 -4.738 1.00 . A A . 33 GLY N 1 1 5 2559 1 1 33 GLY O O 21.044 -1.176 -5.910 1.00 . A A . 33 GLY O 1 1 5 2560 1 1 34 ASN C C 23.561 -2.702 -2.956 1.00 . A A . 34 ASN C 1 1 5 2561 1 1 34 ASN CA C 22.863 -1.713 -3.883 1.00 . A A . 34 ASN CA 1 1 5 2562 1 1 34 ASN CB C 23.277 -0.282 -3.529 1.00 . A A . 34 ASN CB 1 1 5 2563 1 1 34 ASN CG C 24.684 0.040 -3.988 1.00 . A A . 34 ASN CG 1 1 5 2564 1 1 34 ASN H H 21.018 -2.186 -2.964 1.00 . A A . 34 ASN H 1 1 5 2565 1 1 34 ASN HA H 23.159 -1.921 -4.900 1.00 . A A . 34 ASN HA 1 1 5 2566 1 1 34 ASN HB2 H 22.597 0.410 -4.001 1.00 . A A . 34 ASN HB2 1 1 5 2567 1 1 34 ASN HB3 H 23.228 -0.155 -2.457 1.00 . A A . 34 ASN HB3 1 1 5 2568 1 1 34 ASN HD21 H 23.977 1.310 -5.346 1.00 . A A . 34 ASN HD21 1 1 5 2569 1 1 34 ASN HD22 H 25.697 1.148 -5.292 1.00 . A A . 34 ASN HD22 1 1 5 2570 1 1 34 ASN N N 21.415 -1.863 -3.799 1.00 . A A . 34 ASN N 1 1 5 2571 1 1 34 ASN ND2 N 24.798 0.922 -4.975 1.00 . A A . 34 ASN ND2 1 1 5 2572 1 1 34 ASN O O 24.508 -3.379 -3.354 1.00 . A A . 34 ASN O 1 1 5 2573 1 1 34 ASN OD1 O 25.660 -0.497 -3.464 1.00 . A A . 34 ASN OD1 1 1 5 2574 1 1 35 GLY C C 24.846 -3.098 -0.021 1.00 . A A . 35 GLY C 1 1 5 2575 1 1 35 GLY CA C 23.663 -3.698 -0.755 1.00 . A A . 35 GLY CA 1 1 5 2576 1 1 35 GLY H H 22.320 -2.221 -1.462 1.00 . A A . 35 GLY H 1 1 5 2577 1 1 35 GLY HA2 H 22.907 -3.969 -0.032 1.00 . A A . 35 GLY HA2 1 1 5 2578 1 1 35 GLY HA3 H 23.988 -4.590 -1.270 1.00 . A A . 35 GLY HA3 1 1 5 2579 1 1 35 GLY N N 23.080 -2.784 -1.720 1.00 . A A . 35 GLY N 1 1 5 2580 1 1 35 GLY O O 25.661 -2.391 -0.615 1.00 . A A . 35 GLY O 1 1 5 2581 1 1 36 PHE C C 26.144 -3.681 3.390 1.00 . A A . 36 PHE C 1 1 5 2582 1 1 36 PHE CA C 26.029 -2.875 2.100 1.00 . A A . 36 PHE CA 1 1 5 2583 1 1 36 PHE CB C 25.812 -1.394 2.427 1.00 . A A . 36 PHE CB 1 1 5 2584 1 1 36 PHE CD1 C 27.658 -0.568 3.915 1.00 . A A . 36 PHE CD1 1 1 5 2585 1 1 36 PHE CD2 C 27.724 0.008 1.601 1.00 . A A . 36 PHE CD2 1 1 5 2586 1 1 36 PHE CE1 C 28.834 0.126 4.124 1.00 . A A . 36 PHE CE1 1 1 5 2587 1 1 36 PHE CE2 C 28.900 0.704 1.804 1.00 . A A . 36 PHE CE2 1 1 5 2588 1 1 36 PHE CG C 27.090 -0.635 2.652 1.00 . A A . 36 PHE CG 1 1 5 2589 1 1 36 PHE CZ C 29.456 0.763 3.068 1.00 . A A . 36 PHE CZ 1 1 5 2590 1 1 36 PHE H H 24.256 -3.953 1.685 1.00 . A A . 36 PHE H 1 1 5 2591 1 1 36 PHE HA H 26.948 -2.982 1.540 1.00 . A A . 36 PHE HA 1 1 5 2592 1 1 36 PHE HB2 H 25.291 -0.925 1.607 1.00 . A A . 36 PHE HB2 1 1 5 2593 1 1 36 PHE HB3 H 25.214 -1.315 3.322 1.00 . A A . 36 PHE HB3 1 1 5 2594 1 1 36 PHE HD1 H 27.173 -1.064 4.741 1.00 . A A . 36 PHE HD1 1 1 5 2595 1 1 36 PHE HD2 H 27.290 -0.036 0.613 1.00 . A A . 36 PHE HD2 1 1 5 2596 1 1 36 PHE HE1 H 29.267 0.171 5.113 1.00 . A A . 36 PHE HE1 1 1 5 2597 1 1 36 PHE HE2 H 29.385 1.201 0.978 1.00 . A A . 36 PHE HE2 1 1 5 2598 1 1 36 PHE HZ H 30.376 1.305 3.229 1.00 . A A . 36 PHE HZ 1 1 5 2599 1 1 36 PHE N N 24.938 -3.383 1.274 1.00 . A A . 36 PHE N 1 1 5 2600 1 1 36 PHE O O 26.470 -3.139 4.446 1.00 . A A . 36 PHE O 1 1 5 2601 1 1 37 TRP C C 27.401 -6.182 4.807 1.00 . A A . 37 TRP C 1 1 5 2602 1 1 37 TRP CA C 25.951 -5.863 4.456 1.00 . A A . 37 TRP CA 1 1 5 2603 1 1 37 TRP CB C 25.185 -7.160 4.182 1.00 . A A . 37 TRP CB 1 1 5 2604 1 1 37 TRP CD1 C 22.939 -6.561 5.261 1.00 . A A . 37 TRP CD1 1 1 5 2605 1 1 37 TRP CD2 C 22.784 -7.242 3.134 1.00 . A A . 37 TRP CD2 1 1 5 2606 1 1 37 TRP CE2 C 21.492 -6.945 3.605 1.00 . A A . 37 TRP CE2 1 1 5 2607 1 1 37 TRP CE3 C 22.935 -7.692 1.818 1.00 . A A . 37 TRP CE3 1 1 5 2608 1 1 37 TRP CG C 23.696 -6.989 4.209 1.00 . A A . 37 TRP CG 1 1 5 2609 1 1 37 TRP CH2 C 20.536 -7.523 1.524 1.00 . A A . 37 TRP CH2 1 1 5 2610 1 1 37 TRP CZ2 C 20.358 -7.080 2.807 1.00 . A A . 37 TRP CZ2 1 1 5 2611 1 1 37 TRP CZ3 C 21.809 -7.828 1.028 1.00 . A A . 37 TRP CZ3 1 1 5 2612 1 1 37 TRP H H 25.627 -5.354 2.426 1.00 . A A . 37 TRP H 1 1 5 2613 1 1 37 TRP HA H 25.491 -5.354 5.291 1.00 . A A . 37 TRP HA 1 1 5 2614 1 1 37 TRP HB2 H 25.460 -7.534 3.207 1.00 . A A . 37 TRP HB2 1 1 5 2615 1 1 37 TRP HB3 H 25.451 -7.892 4.931 1.00 . A A . 37 TRP HB3 1 1 5 2616 1 1 37 TRP HD1 H 23.338 -6.287 6.226 1.00 . A A . 37 TRP HD1 1 1 5 2617 1 1 37 TRP HE1 H 20.873 -6.255 5.487 1.00 . A A . 37 TRP HE1 1 1 5 2618 1 1 37 TRP HE3 H 23.909 -7.932 1.419 1.00 . A A . 37 TRP HE3 1 1 5 2619 1 1 37 TRP HH2 H 19.684 -7.644 0.870 1.00 . A A . 37 TRP HH2 1 1 5 2620 1 1 37 TRP HZ2 H 19.369 -6.849 3.173 1.00 . A A . 37 TRP HZ2 1 1 5 2621 1 1 37 TRP HZ3 H 21.906 -8.174 0.009 1.00 . A A . 37 TRP HZ3 1 1 5 2622 1 1 37 TRP N N 25.878 -4.980 3.296 1.00 . A A . 37 TRP N 1 1 5 2623 1 1 37 TRP NE1 N 21.612 -6.529 4.905 1.00 . A A . 37 TRP NE1 1 1 5 2624 1 1 37 TRP O O 27.977 -5.461 5.648 1.00 . A A . 37 TRP O 1 1 5 2625 1 1 37 TRP OXT O 27.946 -7.151 4.238 1.00 . A A . 37 TRP OXT 1 1 6 2626 1 1 1 LYS C C -6.984 -4.713 5.462 1.00 . A A . 1 LYS C 1 1 6 2627 1 1 1 LYS CA C -7.947 -5.561 6.279 1.00 . A A . 1 LYS CA 1 1 6 2628 1 1 1 LYS CB C -8.717 -6.495 5.342 1.00 . A A . 1 LYS CB 1 1 6 2629 1 1 1 LYS CD C -10.256 -6.739 3.371 1.00 . A A . 1 LYS CD 1 1 6 2630 1 1 1 LYS CE C -11.251 -7.593 4.142 1.00 . A A . 1 LYS CE 1 1 6 2631 1 1 1 LYS CG C -9.524 -5.765 4.281 1.00 . A A . 1 LYS CG 1 1 6 2632 1 1 1 LYS HA H -7.388 -6.148 6.992 1.00 . A A . 1 LYS HA 1 1 6 2633 1 1 1 LYS HB2 H -8.011 -7.141 4.840 1.00 . A A . 1 LYS HB2 1 1 6 2634 1 1 1 LYS HB3 H -9.393 -7.097 5.928 1.00 . A A . 1 LYS HB3 1 1 6 2635 1 1 1 LYS HD2 H -10.786 -6.182 2.615 1.00 . A A . 1 LYS HD2 1 1 6 2636 1 1 1 LYS HD3 H -9.530 -7.386 2.899 1.00 . A A . 1 LYS HD3 1 1 6 2637 1 1 1 LYS HE2 H -10.711 -8.370 4.662 1.00 . A A . 1 LYS HE2 1 1 6 2638 1 1 1 LYS HE3 H -11.763 -6.970 4.859 1.00 . A A . 1 LYS HE3 1 1 6 2639 1 1 1 LYS HG2 H -10.243 -5.123 4.766 1.00 . A A . 1 LYS HG2 1 1 6 2640 1 1 1 LYS HG3 H -8.851 -5.166 3.682 1.00 . A A . 1 LYS HG3 1 1 6 2641 1 1 1 LYS HZ1 H -12.089 -9.247 3.178 1.00 . A A . 1 LYS HZ1 1 1 6 2642 1 1 1 LYS HZ2 H -12.185 -7.815 2.285 1.00 . A A . 1 LYS HZ2 1 1 6 2643 1 1 1 LYS HZ3 H -13.216 -8.059 3.602 1.00 . A A . 1 LYS HZ3 1 1 6 2644 1 1 1 LYS N N -8.923 -4.714 7.011 1.00 . A A . 1 LYS N 1 1 6 2645 1 1 1 LYS NZ N -12.255 -8.223 3.239 1.00 . A A . 1 LYS NZ 1 1 6 2646 1 1 1 LYS O O -7.381 -4.090 4.486 1.00 . A A . 1 LYS O 1 1 6 2647 1 1 2 TYR C C -4.188 -4.745 3.948 1.00 . A A . 2 TYR C 1 1 6 2648 1 1 2 TYR CA C -4.726 -3.929 5.119 1.00 . A A . 2 TYR CA 1 1 6 2649 1 1 2 TYR CB C -3.585 -3.537 6.027 1.00 . A A . 2 TYR CB 1 1 6 2650 1 1 2 TYR CD1 C -4.039 -1.197 6.701 1.00 . A A . 2 TYR CD1 1 1 6 2651 1 1 2 TYR CD2 C -2.252 -1.600 5.203 1.00 . A A . 2 TYR CD2 1 1 6 2652 1 1 2 TYR CE1 C -3.770 0.153 6.677 1.00 . A A . 2 TYR CE1 1 1 6 2653 1 1 2 TYR CE2 C -1.974 -0.261 5.158 1.00 . A A . 2 TYR CE2 1 1 6 2654 1 1 2 TYR CG C -3.286 -2.081 5.971 1.00 . A A . 2 TYR CG 1 1 6 2655 1 1 2 TYR CZ C -2.733 0.620 5.899 1.00 . A A . 2 TYR CZ 1 1 6 2656 1 1 2 TYR H H -5.442 -5.213 6.633 1.00 . A A . 2 TYR H 1 1 6 2657 1 1 2 TYR HA H -5.199 -3.026 4.758 1.00 . A A . 2 TYR HA 1 1 6 2658 1 1 2 TYR HB2 H -3.842 -3.779 7.041 1.00 . A A . 2 TYR HB2 1 1 6 2659 1 1 2 TYR HB3 H -2.697 -4.068 5.737 1.00 . A A . 2 TYR HB3 1 1 6 2660 1 1 2 TYR HD1 H -4.859 -1.584 7.284 1.00 . A A . 2 TYR HD1 1 1 6 2661 1 1 2 TYR HD2 H -1.664 -2.291 4.623 1.00 . A A . 2 TYR HD2 1 1 6 2662 1 1 2 TYR HE1 H -4.370 0.835 7.256 1.00 . A A . 2 TYR HE1 1 1 6 2663 1 1 2 TYR HE2 H -1.168 0.092 4.538 1.00 . A A . 2 TYR HE2 1 1 6 2664 1 1 2 TYR HH H -2.647 2.355 6.723 1.00 . A A . 2 TYR HH 1 1 6 2665 1 1 2 TYR N N -5.716 -4.698 5.850 1.00 . A A . 2 TYR N 1 1 6 2666 1 1 2 TYR O O -3.993 -5.955 4.065 1.00 . A A . 2 TYR O 1 1 6 2667 1 1 2 TYR OH O -2.453 1.966 5.867 1.00 . A A . 2 TYR OH 1 1 6 2668 1 1 3 TYR C C -1.954 -4.464 1.414 1.00 . A A . 3 TYR C 1 1 6 2669 1 1 3 TYR CA C -3.432 -4.772 1.642 1.00 . A A . 3 TYR CA 1 1 6 2670 1 1 3 TYR CB C -4.246 -4.372 0.409 1.00 . A A . 3 TYR CB 1 1 6 2671 1 1 3 TYR CD1 C -5.527 -6.432 -0.304 1.00 . A A . 3 TYR CD1 1 1 6 2672 1 1 3 TYR CD2 C -6.748 -4.627 0.663 1.00 . A A . 3 TYR CD2 1 1 6 2673 1 1 3 TYR CE1 C -6.699 -7.151 -0.446 1.00 . A A . 3 TYR CE1 1 1 6 2674 1 1 3 TYR CE2 C -7.923 -5.342 0.525 1.00 . A A . 3 TYR CE2 1 1 6 2675 1 1 3 TYR CG C -5.531 -5.158 0.251 1.00 . A A . 3 TYR CG 1 1 6 2676 1 1 3 TYR CZ C -7.894 -6.602 -0.032 1.00 . A A . 3 TYR CZ 1 1 6 2677 1 1 3 TYR H H -4.110 -3.118 2.791 1.00 . A A . 3 TYR H 1 1 6 2678 1 1 3 TYR HA H -3.544 -5.836 1.802 1.00 . A A . 3 TYR HA 1 1 6 2679 1 1 3 TYR HB2 H -4.505 -3.326 0.480 1.00 . A A . 3 TYR HB2 1 1 6 2680 1 1 3 TYR HB3 H -3.650 -4.531 -0.477 1.00 . A A . 3 TYR HB3 1 1 6 2681 1 1 3 TYR HD1 H -4.592 -6.859 -0.628 1.00 . A A . 3 TYR HD1 1 1 6 2682 1 1 3 TYR HD2 H -6.769 -3.646 1.107 1.00 . A A . 3 TYR HD2 1 1 6 2683 1 1 3 TYR HE1 H -6.675 -8.140 -0.881 1.00 . A A . 3 TYR HE1 1 1 6 2684 1 1 3 TYR HE2 H -8.858 -4.908 0.850 1.00 . A A . 3 TYR HE2 1 1 6 2685 1 1 3 TYR HH H -9.383 -7.229 -1.074 1.00 . A A . 3 TYR HH 1 1 6 2686 1 1 3 TYR N N -3.944 -4.085 2.826 1.00 . A A . 3 TYR N 1 1 6 2687 1 1 3 TYR O O -1.530 -4.229 0.282 1.00 . A A . 3 TYR O 1 1 6 2688 1 1 3 TYR OH O -9.061 -7.316 -0.174 1.00 . A A . 3 TYR OH 1 1 6 2689 1 1 4 GLY C C 0.580 -3.044 1.435 1.00 . A A . 4 GLY C 1 1 6 2690 1 1 4 GLY CA C 0.254 -4.179 2.395 1.00 . A A . 4 GLY CA 1 1 6 2691 1 1 4 GLY H H -1.570 -4.647 3.371 1.00 . A A . 4 GLY H 1 1 6 2692 1 1 4 GLY HA2 H 0.627 -3.920 3.375 1.00 . A A . 4 GLY HA2 1 1 6 2693 1 1 4 GLY HA3 H 0.757 -5.077 2.056 1.00 . A A . 4 GLY HA3 1 1 6 2694 1 1 4 GLY N N -1.174 -4.458 2.496 1.00 . A A . 4 GLY N 1 1 6 2695 1 1 4 GLY O O 1.679 -2.988 0.884 1.00 . A A . 4 GLY O 1 1 6 2696 1 1 5 ASN C C -0.950 0.208 0.832 1.00 . A A . 5 ASN C 1 1 6 2697 1 1 5 ASN CA C -0.192 -1.013 0.326 1.00 . A A . 5 ASN CA 1 1 6 2698 1 1 5 ASN CB C -0.675 -1.378 -1.080 1.00 . A A . 5 ASN CB 1 1 6 2699 1 1 5 ASN CG C 0.424 -1.262 -2.115 1.00 . A A . 5 ASN CG 1 1 6 2700 1 1 5 ASN H H -1.235 -2.243 1.694 1.00 . A A . 5 ASN H 1 1 6 2701 1 1 5 ASN HA H 0.864 -0.780 0.289 1.00 . A A . 5 ASN HA 1 1 6 2702 1 1 5 ASN HB2 H -1.035 -2.397 -1.078 1.00 . A A . 5 ASN HB2 1 1 6 2703 1 1 5 ASN HB3 H -1.484 -0.718 -1.363 1.00 . A A . 5 ASN HB3 1 1 6 2704 1 1 5 ASN HD21 H -0.301 0.485 -2.727 1.00 . A A . 5 ASN HD21 1 1 6 2705 1 1 5 ASN HD22 H 1.112 -0.073 -3.552 1.00 . A A . 5 ASN HD22 1 1 6 2706 1 1 5 ASN N N -0.379 -2.145 1.229 1.00 . A A . 5 ASN N 1 1 6 2707 1 1 5 ASN ND2 N 0.410 -0.173 -2.875 1.00 . A A . 5 ASN ND2 1 1 6 2708 1 1 5 ASN O O -1.408 1.034 0.043 1.00 . A A . 5 ASN O 1 1 6 2709 1 1 5 ASN OD1 O 1.278 -2.142 -2.232 1.00 . A A . 5 ASN OD1 1 1 6 2710 1 1 6 GLY C C -3.345 1.276 2.564 1.00 . A A . 6 GLY C 1 1 6 2711 1 1 6 GLY CA C -1.841 1.430 2.712 1.00 . A A . 6 GLY CA 1 1 6 2712 1 1 6 GLY H H -0.744 -0.384 2.735 1.00 . A A . 6 GLY H 1 1 6 2713 1 1 6 GLY HA2 H -1.596 1.534 3.754 1.00 . A A . 6 GLY HA2 1 1 6 2714 1 1 6 GLY HA3 H -1.539 2.327 2.197 1.00 . A A . 6 GLY HA3 1 1 6 2715 1 1 6 GLY N N -1.109 0.310 2.149 1.00 . A A . 6 GLY N 1 1 6 2716 1 1 6 GLY O O -4.108 2.028 3.166 1.00 . A A . 6 GLY O 1 1 6 2717 1 1 7 VAL C C -5.805 -0.933 2.441 1.00 . A A . 7 VAL C 1 1 6 2718 1 1 7 VAL CA C -5.183 0.070 1.479 1.00 . A A . 7 VAL CA 1 1 6 2719 1 1 7 VAL CB C -5.409 -0.431 0.035 1.00 . A A . 7 VAL CB 1 1 6 2720 1 1 7 VAL CG1 C -6.812 -0.980 -0.112 1.00 . A A . 7 VAL CG1 1 1 6 2721 1 1 7 VAL CG2 C -5.190 0.686 -0.970 1.00 . A A . 7 VAL CG2 1 1 6 2722 1 1 7 VAL H H -3.098 -0.246 1.299 1.00 . A A . 7 VAL H 1 1 6 2723 1 1 7 VAL HA H -5.707 1.005 1.587 1.00 . A A . 7 VAL HA 1 1 6 2724 1 1 7 VAL HB H -4.705 -1.223 -0.172 1.00 . A A . 7 VAL HB 1 1 6 2725 1 1 7 VAL HG11 H -6.811 -2.036 0.110 1.00 . A A . 7 VAL HG11 1 1 6 2726 1 1 7 VAL HG12 H -7.159 -0.819 -1.121 1.00 . A A . 7 VAL HG12 1 1 6 2727 1 1 7 VAL HG13 H -7.457 -0.464 0.581 1.00 . A A . 7 VAL HG13 1 1 6 2728 1 1 7 VAL HG21 H -4.947 0.264 -1.933 1.00 . A A . 7 VAL HG21 1 1 6 2729 1 1 7 VAL HG22 H -4.383 1.319 -0.637 1.00 . A A . 7 VAL HG22 1 1 6 2730 1 1 7 VAL HG23 H -6.097 1.269 -1.050 1.00 . A A . 7 VAL HG23 1 1 6 2731 1 1 7 VAL N N -3.763 0.310 1.745 1.00 . A A . 7 VAL N 1 1 6 2732 1 1 7 VAL O O -5.294 -2.034 2.628 1.00 . A A . 7 VAL O 1 1 6 2733 1 1 8 HIS C C -9.159 -1.279 3.709 1.00 . A A . 8 HIS C 1 1 6 2734 1 1 8 HIS CA C -7.663 -1.403 3.944 1.00 . A A . 8 HIS CA 1 1 6 2735 1 1 8 HIS CB C -7.347 -1.066 5.401 1.00 . A A . 8 HIS CB 1 1 6 2736 1 1 8 HIS CD2 C -5.805 0.942 4.965 1.00 . A A . 8 HIS CD2 1 1 6 2737 1 1 8 HIS CE1 C -6.664 2.336 6.413 1.00 . A A . 8 HIS CE1 1 1 6 2738 1 1 8 HIS CG C -6.821 0.313 5.583 1.00 . A A . 8 HIS CG 1 1 6 2739 1 1 8 HIS H H -7.294 0.348 2.822 1.00 . A A . 8 HIS H 1 1 6 2740 1 1 8 HIS HA H -7.362 -2.415 3.743 1.00 . A A . 8 HIS HA 1 1 6 2741 1 1 8 HIS HB2 H -8.247 -1.158 5.990 1.00 . A A . 8 HIS HB2 1 1 6 2742 1 1 8 HIS HB3 H -6.606 -1.759 5.772 1.00 . A A . 8 HIS HB3 1 1 6 2743 1 1 8 HIS HD1 H -8.096 1.044 7.085 1.00 . A A . 8 HIS HD1 1 1 6 2744 1 1 8 HIS HD2 H -5.175 0.522 4.187 1.00 . A A . 8 HIS HD2 1 1 6 2745 1 1 8 HIS HE1 H -6.856 3.221 6.994 1.00 . A A . 8 HIS HE1 1 1 6 2746 1 1 8 HIS HE2 H -4.927 2.774 5.444 1.00 . A A . 8 HIS HE2 1 1 6 2747 1 1 8 HIS N N -6.933 -0.542 3.027 1.00 . A A . 8 HIS N 1 1 6 2748 1 1 8 HIS ND1 N -7.341 1.209 6.483 1.00 . A A . 8 HIS ND1 1 1 6 2749 1 1 8 HIS NE2 N -5.720 2.203 5.500 1.00 . A A . 8 HIS NE2 1 1 6 2750 1 1 8 HIS O O -9.711 -0.180 3.718 1.00 . A A . 8 HIS O 1 1 6 2751 1 1 9 CYS C C -11.963 -2.924 4.535 1.00 . A A . 9 CYS C 1 1 6 2752 1 1 9 CYS CA C -11.250 -2.406 3.297 1.00 . A A . 9 CYS CA 1 1 6 2753 1 1 9 CYS CB C -11.621 -3.230 2.069 1.00 . A A . 9 CYS CB 1 1 6 2754 1 1 9 CYS H H -9.333 -3.261 3.525 1.00 . A A . 9 CYS H 1 1 6 2755 1 1 9 CYS HA H -11.544 -1.387 3.135 1.00 . A A . 9 CYS HA 1 1 6 2756 1 1 9 CYS HB2 H -10.735 -3.375 1.468 1.00 . A A . 9 CYS HB2 1 1 6 2757 1 1 9 CYS HB3 H -12.002 -4.189 2.385 1.00 . A A . 9 CYS HB3 1 1 6 2758 1 1 9 CYS N N -9.818 -2.410 3.512 1.00 . A A . 9 CYS N 1 1 6 2759 1 1 9 CYS O O -12.211 -4.121 4.679 1.00 . A A . 9 CYS O 1 1 6 2760 1 1 9 CYS SG S -12.881 -2.441 1.020 1.00 . A A . 9 CYS SG 1 1 6 2761 1 1 10 THR C C -14.451 -2.117 6.578 1.00 . A A . 10 THR C 1 1 6 2762 1 1 10 THR CA C -12.947 -2.334 6.682 1.00 . A A . 10 THR CA 1 1 6 2763 1 1 10 THR CB C -12.352 -1.509 7.836 1.00 . A A . 10 THR CB 1 1 6 2764 1 1 10 THR CG2 C -12.047 -0.074 7.459 1.00 . A A . 10 THR CG2 1 1 6 2765 1 1 10 THR H H -12.042 -1.065 5.249 1.00 . A A . 10 THR H 1 1 6 2766 1 1 10 THR HA H -12.774 -3.379 6.880 1.00 . A A . 10 THR HA 1 1 6 2767 1 1 10 THR HB H -11.425 -1.970 8.145 1.00 . A A . 10 THR HB 1 1 6 2768 1 1 10 THR HG1 H -12.831 -0.949 9.651 1.00 . A A . 10 THR HG1 1 1 6 2769 1 1 10 THR HG21 H -12.235 0.570 8.306 1.00 . A A . 10 THR HG21 1 1 6 2770 1 1 10 THR HG22 H -12.675 0.222 6.634 1.00 . A A . 10 THR HG22 1 1 6 2771 1 1 10 THR HG23 H -11.009 0.010 7.169 1.00 . A A . 10 THR HG23 1 1 6 2772 1 1 10 THR N N -12.277 -2.000 5.432 1.00 . A A . 10 THR N 1 1 6 2773 1 1 10 THR O O -14.993 -1.952 5.484 1.00 . A A . 10 THR O 1 1 6 2774 1 1 10 THR OG1 O -13.222 -1.482 8.954 1.00 . A A . 10 THR OG1 1 1 6 2775 1 1 11 LYS C C -16.994 -0.664 7.129 1.00 . A A . 11 LYS C 1 1 6 2776 1 1 11 LYS CA C -16.558 -1.975 7.779 1.00 . A A . 11 LYS CA 1 1 6 2777 1 1 11 LYS CB C -17.013 -2.038 9.233 1.00 . A A . 11 LYS CB 1 1 6 2778 1 1 11 LYS CD C -16.660 -1.113 11.545 1.00 . A A . 11 LYS CD 1 1 6 2779 1 1 11 LYS CE C -16.781 0.163 12.363 1.00 . A A . 11 LYS CE 1 1 6 2780 1 1 11 LYS CG C -16.615 -0.821 10.054 1.00 . A A . 11 LYS CG 1 1 6 2781 1 1 11 LYS H H -14.623 -2.296 8.553 1.00 . A A . 11 LYS H 1 1 6 2782 1 1 11 LYS HA H -17.007 -2.794 7.238 1.00 . A A . 11 LYS HA 1 1 6 2783 1 1 11 LYS HB2 H -18.087 -2.134 9.262 1.00 . A A . 11 LYS HB2 1 1 6 2784 1 1 11 LYS HB3 H -16.567 -2.911 9.689 1.00 . A A . 11 LYS HB3 1 1 6 2785 1 1 11 LYS HD2 H -17.512 -1.744 11.752 1.00 . A A . 11 LYS HD2 1 1 6 2786 1 1 11 LYS HD3 H -15.752 -1.626 11.827 1.00 . A A . 11 LYS HD3 1 1 6 2787 1 1 11 LYS HE2 H -15.889 0.279 12.959 1.00 . A A . 11 LYS HE2 1 1 6 2788 1 1 11 LYS HE3 H -16.875 1.003 11.690 1.00 . A A . 11 LYS HE3 1 1 6 2789 1 1 11 LYS HG2 H -15.610 -0.531 9.783 1.00 . A A . 11 LYS HG2 1 1 6 2790 1 1 11 LYS HG3 H -17.296 -0.012 9.832 1.00 . A A . 11 LYS HG3 1 1 6 2791 1 1 11 LYS HZ1 H -17.766 0.665 14.136 1.00 . A A . 11 LYS HZ1 1 1 6 2792 1 1 11 LYS HZ2 H -18.195 -0.851 13.519 1.00 . A A . 11 LYS HZ2 1 1 6 2793 1 1 11 LYS HZ3 H -18.788 0.557 12.792 1.00 . A A . 11 LYS HZ3 1 1 6 2794 1 1 11 LYS N N -15.117 -2.143 7.721 1.00 . A A . 11 LYS N 1 1 6 2795 1 1 11 LYS NZ N -17.965 0.132 13.265 1.00 . A A . 11 LYS NZ 1 1 6 2796 1 1 11 LYS O O -18.143 -0.521 6.712 1.00 . A A . 11 LYS O 1 1 6 2797 1 1 12 SER C C -15.973 1.531 4.916 1.00 . A A . 12 SER C 1 1 6 2798 1 1 12 SER CA C -16.357 1.563 6.396 1.00 . A A . 12 SER CA 1 1 6 2799 1 1 12 SER CB C -15.602 2.687 7.108 1.00 . A A . 12 SER CB 1 1 6 2800 1 1 12 SER H H -15.162 0.108 7.357 1.00 . A A . 12 SER H 1 1 6 2801 1 1 12 SER HA H -17.418 1.741 6.479 1.00 . A A . 12 SER HA 1 1 6 2802 1 1 12 SER HB2 H -15.900 3.638 6.693 1.00 . A A . 12 SER HB2 1 1 6 2803 1 1 12 SER HB3 H -15.838 2.665 8.162 1.00 . A A . 12 SER HB3 1 1 6 2804 1 1 12 SER HG H -13.787 3.406 6.943 1.00 . A A . 12 SER HG 1 1 6 2805 1 1 12 SER N N -16.066 0.281 7.023 1.00 . A A . 12 SER N 1 1 6 2806 1 1 12 SER O O -15.841 2.575 4.277 1.00 . A A . 12 SER O 1 1 6 2807 1 1 12 SER OG O -14.202 2.540 6.952 1.00 . A A . 12 SER OG 1 1 6 2808 1 1 13 GLY C C -13.907 0.144 2.817 1.00 . A A . 13 GLY C 1 1 6 2809 1 1 13 GLY CA C -15.410 0.170 2.990 1.00 . A A . 13 GLY CA 1 1 6 2810 1 1 13 GLY H H -15.901 -0.472 4.940 1.00 . A A . 13 GLY H 1 1 6 2811 1 1 13 GLY HA2 H -15.824 -0.753 2.612 1.00 . A A . 13 GLY HA2 1 1 6 2812 1 1 13 GLY HA3 H -15.815 0.995 2.423 1.00 . A A . 13 GLY HA3 1 1 6 2813 1 1 13 GLY N N -15.788 0.323 4.383 1.00 . A A . 13 GLY N 1 1 6 2814 1 1 13 GLY O O -13.178 -0.176 3.753 1.00 . A A . 13 GLY O 1 1 6 2815 1 1 14 CYS C C -11.465 1.918 1.673 1.00 . A A . 14 CYS C 1 1 6 2816 1 1 14 CYS CA C -12.009 0.535 1.362 1.00 . A A . 14 CYS CA 1 1 6 2817 1 1 14 CYS CB C -11.703 0.166 -0.086 1.00 . A A . 14 CYS CB 1 1 6 2818 1 1 14 CYS H H -14.065 0.758 0.920 1.00 . A A . 14 CYS H 1 1 6 2819 1 1 14 CYS HA H -11.530 -0.164 2.012 1.00 . A A . 14 CYS HA 1 1 6 2820 1 1 14 CYS HB2 H -12.398 0.676 -0.729 1.00 . A A . 14 CYS HB2 1 1 6 2821 1 1 14 CYS HB3 H -10.703 0.495 -0.311 1.00 . A A . 14 CYS HB3 1 1 6 2822 1 1 14 CYS N N -13.438 0.499 1.627 1.00 . A A . 14 CYS N 1 1 6 2823 1 1 14 CYS O O -12.025 2.927 1.246 1.00 . A A . 14 CYS O 1 1 6 2824 1 1 14 CYS SG S -11.795 -1.616 -0.483 1.00 . A A . 14 CYS SG 1 1 6 2825 1 1 15 SER C C -8.268 3.105 2.996 1.00 . A A . 15 SER C 1 1 6 2826 1 1 15 SER CA C -9.773 3.235 2.803 1.00 . A A . 15 SER CA 1 1 6 2827 1 1 15 SER CB C -10.420 3.769 4.082 1.00 . A A . 15 SER CB 1 1 6 2828 1 1 15 SER H H -9.972 1.124 2.745 1.00 . A A . 15 SER H 1 1 6 2829 1 1 15 SER HA H -9.958 3.935 2.001 1.00 . A A . 15 SER HA 1 1 6 2830 1 1 15 SER HB2 H -9.795 3.528 4.929 1.00 . A A . 15 SER HB2 1 1 6 2831 1 1 15 SER HB3 H -10.526 4.842 4.009 1.00 . A A . 15 SER HB3 1 1 6 2832 1 1 15 SER HG H -12.293 3.857 4.655 1.00 . A A . 15 SER HG 1 1 6 2833 1 1 15 SER N N -10.375 1.963 2.429 1.00 . A A . 15 SER N 1 1 6 2834 1 1 15 SER O O -7.801 2.473 3.941 1.00 . A A . 15 SER O 1 1 6 2835 1 1 15 SER OG O -11.701 3.197 4.285 1.00 . A A . 15 SER OG 1 1 6 2836 1 1 16 VAL C C -5.535 4.953 2.797 1.00 . A A . 16 VAL C 1 1 6 2837 1 1 16 VAL CA C -6.069 3.689 2.129 1.00 . A A . 16 VAL CA 1 1 6 2838 1 1 16 VAL CB C -5.498 3.566 0.702 1.00 . A A . 16 VAL CB 1 1 6 2839 1 1 16 VAL CG1 C -6.229 4.489 -0.222 1.00 . A A . 16 VAL CG1 1 1 6 2840 1 1 16 VAL CG2 C -3.998 3.821 0.642 1.00 . A A . 16 VAL CG2 1 1 6 2841 1 1 16 VAL H H -7.957 4.194 1.357 1.00 . A A . 16 VAL H 1 1 6 2842 1 1 16 VAL HA H -5.767 2.828 2.700 1.00 . A A . 16 VAL HA 1 1 6 2843 1 1 16 VAL HB H -5.686 2.580 0.361 1.00 . A A . 16 VAL HB 1 1 6 2844 1 1 16 VAL HG11 H -7.175 4.042 -0.480 1.00 . A A . 16 VAL HG11 1 1 6 2845 1 1 16 VAL HG12 H -5.641 4.643 -1.113 1.00 . A A . 16 VAL HG12 1 1 6 2846 1 1 16 VAL HG13 H -6.396 5.426 0.279 1.00 . A A . 16 VAL HG13 1 1 6 2847 1 1 16 VAL HG21 H -3.477 3.078 1.217 1.00 . A A . 16 VAL HG21 1 1 6 2848 1 1 16 VAL HG22 H -3.786 4.794 1.045 1.00 . A A . 16 VAL HG22 1 1 6 2849 1 1 16 VAL HG23 H -3.666 3.773 -0.391 1.00 . A A . 16 VAL HG23 1 1 6 2850 1 1 16 VAL N N -7.520 3.714 2.086 1.00 . A A . 16 VAL N 1 1 6 2851 1 1 16 VAL O O -5.710 6.058 2.288 1.00 . A A . 16 VAL O 1 1 6 2852 1 1 17 ASN C C -3.440 6.745 3.783 1.00 . A A . 17 ASN C 1 1 6 2853 1 1 17 ASN CA C -4.334 5.903 4.688 1.00 . A A . 17 ASN CA 1 1 6 2854 1 1 17 ASN CB C -3.538 5.398 5.893 1.00 . A A . 17 ASN CB 1 1 6 2855 1 1 17 ASN CG C -2.895 6.522 6.684 1.00 . A A . 17 ASN CG 1 1 6 2856 1 1 17 ASN H H -4.791 3.876 4.298 1.00 . A A . 17 ASN H 1 1 6 2857 1 1 17 ASN HA H -5.147 6.513 5.037 1.00 . A A . 17 ASN HA 1 1 6 2858 1 1 17 ASN HB2 H -4.198 4.854 6.553 1.00 . A A . 17 ASN HB2 1 1 6 2859 1 1 17 ASN HB3 H -2.758 4.736 5.547 1.00 . A A . 17 ASN HB3 1 1 6 2860 1 1 17 ASN HD21 H -3.849 5.941 8.328 1.00 . A A . 17 ASN HD21 1 1 6 2861 1 1 17 ASN HD22 H -2.822 7.319 8.504 1.00 . A A . 17 ASN HD22 1 1 6 2862 1 1 17 ASN N N -4.894 4.780 3.946 1.00 . A A . 17 ASN N 1 1 6 2863 1 1 17 ASN ND2 N -3.222 6.602 7.968 1.00 . A A . 17 ASN ND2 1 1 6 2864 1 1 17 ASN O O -3.234 7.934 4.023 1.00 . A A . 17 ASN O 1 1 6 2865 1 1 17 ASN OD1 O -2.115 7.309 6.147 1.00 . A A . 17 ASN OD1 1 1 6 2866 1 1 18 TRP C C -0.683 7.098 2.455 1.00 . A A . 18 TRP C 1 1 6 2867 1 1 18 TRP CA C -2.009 6.762 1.805 1.00 . A A . 18 TRP CA 1 1 6 2868 1 1 18 TRP CB C -2.695 7.974 1.175 1.00 . A A . 18 TRP CB 1 1 6 2869 1 1 18 TRP CD1 C -4.976 7.477 0.122 1.00 . A A . 18 TRP CD1 1 1 6 2870 1 1 18 TRP CD2 C -3.228 6.976 -1.166 1.00 . A A . 18 TRP CD2 1 1 6 2871 1 1 18 TRP CE2 C -4.399 6.629 -1.847 1.00 . A A . 18 TRP CE2 1 1 6 2872 1 1 18 TRP CE3 C -1.998 6.749 -1.780 1.00 . A A . 18 TRP CE3 1 1 6 2873 1 1 18 TRP CG C -3.617 7.526 0.088 1.00 . A A . 18 TRP CG 1 1 6 2874 1 1 18 TRP CH2 C -3.170 5.840 -3.683 1.00 . A A . 18 TRP CH2 1 1 6 2875 1 1 18 TRP CZ2 C -4.384 6.061 -3.107 1.00 . A A . 18 TRP CZ2 1 1 6 2876 1 1 18 TRP CZ3 C -1.982 6.181 -3.033 1.00 . A A . 18 TRP CZ3 1 1 6 2877 1 1 18 TRP H H -3.087 5.150 2.640 1.00 . A A . 18 TRP H 1 1 6 2878 1 1 18 TRP HA H -1.807 6.044 1.018 1.00 . A A . 18 TRP HA 1 1 6 2879 1 1 18 TRP HB2 H -3.271 8.501 1.921 1.00 . A A . 18 TRP HB2 1 1 6 2880 1 1 18 TRP HB3 H -1.956 8.632 0.745 1.00 . A A . 18 TRP HB3 1 1 6 2881 1 1 18 TRP HD1 H -5.578 7.805 0.950 1.00 . A A . 18 TRP HD1 1 1 6 2882 1 1 18 TRP HE1 H -6.399 6.820 -1.265 1.00 . A A . 18 TRP HE1 1 1 6 2883 1 1 18 TRP HE3 H -1.070 7.007 -1.287 1.00 . A A . 18 TRP HE3 1 1 6 2884 1 1 18 TRP HH2 H -3.114 5.386 -4.650 1.00 . A A . 18 TRP HH2 1 1 6 2885 1 1 18 TRP HZ2 H -5.293 5.783 -3.617 1.00 . A A . 18 TRP HZ2 1 1 6 2886 1 1 18 TRP HZ3 H -1.041 5.988 -3.525 1.00 . A A . 18 TRP HZ3 1 1 6 2887 1 1 18 TRP N N -2.895 6.103 2.757 1.00 . A A . 18 TRP N 1 1 6 2888 1 1 18 TRP NE1 N -5.453 6.951 -1.044 1.00 . A A . 18 TRP NE1 1 1 6 2889 1 1 18 TRP O O 0.352 6.586 2.035 1.00 . A A . 18 TRP O 1 1 6 2890 1 1 19 GLY C C 1.242 6.892 4.571 1.00 . A A . 19 GLY C 1 1 6 2891 1 1 19 GLY CA C 0.538 8.188 4.210 1.00 . A A . 19 GLY CA 1 1 6 2892 1 1 19 GLY H H -1.551 8.250 3.850 1.00 . A A . 19 GLY H 1 1 6 2893 1 1 19 GLY HA2 H 1.179 8.777 3.566 1.00 . A A . 19 GLY HA2 1 1 6 2894 1 1 19 GLY HA3 H 0.326 8.741 5.112 1.00 . A A . 19 GLY HA3 1 1 6 2895 1 1 19 GLY N N -0.703 7.898 3.516 1.00 . A A . 19 GLY N 1 1 6 2896 1 1 19 GLY O O 2.469 6.837 4.670 1.00 . A A . 19 GLY O 1 1 6 2897 1 1 20 GLU C C 1.567 3.902 3.790 1.00 . A A . 20 GLU C 1 1 6 2898 1 1 20 GLU CA C 0.944 4.508 5.041 1.00 . A A . 20 GLU CA 1 1 6 2899 1 1 20 GLU CB C -0.194 3.617 5.556 1.00 . A A . 20 GLU CB 1 1 6 2900 1 1 20 GLU CD C 0.750 1.729 6.944 1.00 . A A . 20 GLU CD 1 1 6 2901 1 1 20 GLU CG C 0.046 3.073 6.953 1.00 . A A . 20 GLU CG 1 1 6 2902 1 1 20 GLU H H -0.527 5.954 4.617 1.00 . A A . 20 GLU H 1 1 6 2903 1 1 20 GLU HA H 1.700 4.603 5.805 1.00 . A A . 20 GLU HA 1 1 6 2904 1 1 20 GLU HB2 H -1.107 4.196 5.571 1.00 . A A . 20 GLU HB2 1 1 6 2905 1 1 20 GLU HB3 H -0.320 2.778 4.883 1.00 . A A . 20 GLU HB3 1 1 6 2906 1 1 20 GLU HG2 H 0.655 3.777 7.499 1.00 . A A . 20 GLU HG2 1 1 6 2907 1 1 20 GLU HG3 H -0.907 2.961 7.449 1.00 . A A . 20 GLU HG3 1 1 6 2908 1 1 20 GLU N N 0.439 5.837 4.733 1.00 . A A . 20 GLU N 1 1 6 2909 1 1 20 GLU O O 2.656 3.329 3.837 1.00 . A A . 20 GLU O 1 1 6 2910 1 1 20 GLU OE1 O 1.076 1.235 5.844 1.00 . A A . 20 GLU OE1 1 1 6 2911 1 1 20 GLU OE2 O 0.976 1.171 8.038 1.00 . A A . 20 GLU OE2 1 1 6 2912 1 1 21 ALA C C 2.540 4.394 0.920 1.00 . A A . 21 ALA C 1 1 6 2913 1 1 21 ALA CA C 1.365 3.558 1.386 1.00 . A A . 21 ALA CA 1 1 6 2914 1 1 21 ALA CB C 0.266 3.608 0.350 1.00 . A A . 21 ALA CB 1 1 6 2915 1 1 21 ALA H H 0.019 4.547 2.687 1.00 . A A . 21 ALA H 1 1 6 2916 1 1 21 ALA HA H 1.676 2.532 1.515 1.00 . A A . 21 ALA HA 1 1 6 2917 1 1 21 ALA HB1 H -0.045 4.634 0.220 1.00 . A A . 21 ALA HB1 1 1 6 2918 1 1 21 ALA HB2 H -0.571 3.016 0.682 1.00 . A A . 21 ALA HB2 1 1 6 2919 1 1 21 ALA HB3 H 0.637 3.222 -0.585 1.00 . A A . 21 ALA HB3 1 1 6 2920 1 1 21 ALA N N 0.876 4.063 2.662 1.00 . A A . 21 ALA N 1 1 6 2921 1 1 21 ALA O O 3.498 3.880 0.345 1.00 . A A . 21 ALA O 1 1 6 2922 1 1 22 PHE C C 4.809 6.150 1.535 1.00 . A A . 22 PHE C 1 1 6 2923 1 1 22 PHE CA C 3.535 6.607 0.855 1.00 . A A . 22 PHE CA 1 1 6 2924 1 1 22 PHE CB C 3.173 8.013 1.324 1.00 . A A . 22 PHE CB 1 1 6 2925 1 1 22 PHE CD1 C 5.404 9.136 1.535 1.00 . A A . 22 PHE CD1 1 1 6 2926 1 1 22 PHE CD2 C 3.866 9.969 -0.085 1.00 . A A . 22 PHE CD2 1 1 6 2927 1 1 22 PHE CE1 C 6.323 10.098 1.163 1.00 . A A . 22 PHE CE1 1 1 6 2928 1 1 22 PHE CE2 C 4.781 10.933 -0.461 1.00 . A A . 22 PHE CE2 1 1 6 2929 1 1 22 PHE CG C 4.168 9.061 0.917 1.00 . A A . 22 PHE CG 1 1 6 2930 1 1 22 PHE CZ C 6.011 10.998 0.163 1.00 . A A . 22 PHE CZ 1 1 6 2931 1 1 22 PHE H H 1.690 6.024 1.692 1.00 . A A . 22 PHE H 1 1 6 2932 1 1 22 PHE HA H 3.667 6.599 -0.219 1.00 . A A . 22 PHE HA 1 1 6 2933 1 1 22 PHE HB2 H 2.215 8.287 0.914 1.00 . A A . 22 PHE HB2 1 1 6 2934 1 1 22 PHE HB3 H 3.111 8.010 2.404 1.00 . A A . 22 PHE HB3 1 1 6 2935 1 1 22 PHE HD1 H 5.649 8.433 2.318 1.00 . A A . 22 PHE HD1 1 1 6 2936 1 1 22 PHE HD2 H 2.905 9.918 -0.573 1.00 . A A . 22 PHE HD2 1 1 6 2937 1 1 22 PHE HE1 H 7.284 10.147 1.654 1.00 . A A . 22 PHE HE1 1 1 6 2938 1 1 22 PHE HE2 H 4.535 11.634 -1.244 1.00 . A A . 22 PHE HE2 1 1 6 2939 1 1 22 PHE HZ H 6.728 11.751 -0.129 1.00 . A A . 22 PHE HZ 1 1 6 2940 1 1 22 PHE N N 2.471 5.685 1.208 1.00 . A A . 22 PHE N 1 1 6 2941 1 1 22 PHE O O 5.900 6.228 0.973 1.00 . A A . 22 PHE O 1 1 6 2942 1 1 23 SER C C 6.284 3.852 2.860 1.00 . A A . 23 SER C 1 1 6 2943 1 1 23 SER CA C 5.754 5.118 3.521 1.00 . A A . 23 SER CA 1 1 6 2944 1 1 23 SER CB C 5.317 4.825 4.960 1.00 . A A . 23 SER CB 1 1 6 2945 1 1 23 SER H H 3.726 5.585 3.113 1.00 . A A . 23 SER H 1 1 6 2946 1 1 23 SER HA H 6.535 5.866 3.529 1.00 . A A . 23 SER HA 1 1 6 2947 1 1 23 SER HB2 H 4.239 4.779 5.003 1.00 . A A . 23 SER HB2 1 1 6 2948 1 1 23 SER HB3 H 5.731 3.879 5.274 1.00 . A A . 23 SER HB3 1 1 6 2949 1 1 23 SER HG H 5.599 6.700 5.458 1.00 . A A . 23 SER HG 1 1 6 2950 1 1 23 SER N N 4.639 5.639 2.746 1.00 . A A . 23 SER N 1 1 6 2951 1 1 23 SER O O 7.475 3.551 2.923 1.00 . A A . 23 SER O 1 1 6 2952 1 1 23 SER OG O 5.764 5.837 5.845 1.00 . A A . 23 SER OG 1 1 6 2953 1 1 24 ALA C C 6.435 2.188 0.214 1.00 . A A . 24 ALA C 1 1 6 2954 1 1 24 ALA CA C 5.726 1.886 1.527 1.00 . A A . 24 ALA CA 1 1 6 2955 1 1 24 ALA CB C 4.473 1.064 1.270 1.00 . A A . 24 ALA CB 1 1 6 2956 1 1 24 ALA H H 4.444 3.426 2.203 1.00 . A A . 24 ALA H 1 1 6 2957 1 1 24 ALA HA H 6.384 1.314 2.165 1.00 . A A . 24 ALA HA 1 1 6 2958 1 1 24 ALA HB1 H 4.039 1.360 0.326 1.00 . A A . 24 ALA HB1 1 1 6 2959 1 1 24 ALA HB2 H 3.759 1.238 2.063 1.00 . A A . 24 ALA HB2 1 1 6 2960 1 1 24 ALA HB3 H 4.728 0.015 1.238 1.00 . A A . 24 ALA HB3 1 1 6 2961 1 1 24 ALA N N 5.377 3.120 2.217 1.00 . A A . 24 ALA N 1 1 6 2962 1 1 24 ALA O O 7.490 1.626 -0.084 1.00 . A A . 24 ALA O 1 1 6 2963 1 1 25 GLY C C 7.784 4.119 -1.671 1.00 . A A . 25 GLY C 1 1 6 2964 1 1 25 GLY CA C 6.430 3.459 -1.838 1.00 . A A . 25 GLY CA 1 1 6 2965 1 1 25 GLY H H 5.009 3.498 -0.275 1.00 . A A . 25 GLY H 1 1 6 2966 1 1 25 GLY HA2 H 6.543 2.574 -2.447 1.00 . A A . 25 GLY HA2 1 1 6 2967 1 1 25 GLY HA3 H 5.766 4.148 -2.338 1.00 . A A . 25 GLY HA3 1 1 6 2968 1 1 25 GLY N N 5.846 3.086 -0.567 1.00 . A A . 25 GLY N 1 1 6 2969 1 1 25 GLY O O 8.674 3.939 -2.500 1.00 . A A . 25 GLY O 1 1 6 2970 1 1 26 VAL C C 10.296 4.560 0.007 1.00 . A A . 26 VAL C 1 1 6 2971 1 1 26 VAL CA C 9.204 5.566 -0.319 1.00 . A A . 26 VAL CA 1 1 6 2972 1 1 26 VAL CB C 9.084 6.566 0.852 1.00 . A A . 26 VAL CB 1 1 6 2973 1 1 26 VAL CG1 C 10.444 7.152 1.198 1.00 . A A . 26 VAL CG1 1 1 6 2974 1 1 26 VAL CG2 C 8.102 7.674 0.518 1.00 . A A . 26 VAL CG2 1 1 6 2975 1 1 26 VAL H H 7.196 4.989 0.037 1.00 . A A . 26 VAL H 1 1 6 2976 1 1 26 VAL HA H 9.492 6.110 -1.211 1.00 . A A . 26 VAL HA 1 1 6 2977 1 1 26 VAL HB H 8.714 6.035 1.719 1.00 . A A . 26 VAL HB 1 1 6 2978 1 1 26 VAL HG11 H 10.993 6.455 1.814 1.00 . A A . 26 VAL HG11 1 1 6 2979 1 1 26 VAL HG12 H 10.312 8.080 1.733 1.00 . A A . 26 VAL HG12 1 1 6 2980 1 1 26 VAL HG13 H 10.995 7.337 0.286 1.00 . A A . 26 VAL HG13 1 1 6 2981 1 1 26 VAL HG21 H 8.644 8.547 0.188 1.00 . A A . 26 VAL HG21 1 1 6 2982 1 1 26 VAL HG22 H 7.528 7.919 1.399 1.00 . A A . 26 VAL HG22 1 1 6 2983 1 1 26 VAL HG23 H 7.437 7.343 -0.265 1.00 . A A . 26 VAL HG23 1 1 6 2984 1 1 26 VAL N N 7.942 4.884 -0.591 1.00 . A A . 26 VAL N 1 1 6 2985 1 1 26 VAL O O 11.433 4.715 -0.416 1.00 . A A . 26 VAL O 1 1 6 2986 1 1 27 HIS C C 11.431 1.819 -0.153 1.00 . A A . 27 HIS C 1 1 6 2987 1 1 27 HIS CA C 10.929 2.507 1.109 1.00 . A A . 27 HIS CA 1 1 6 2988 1 1 27 HIS CB C 10.321 1.486 2.073 1.00 . A A . 27 HIS CB 1 1 6 2989 1 1 27 HIS CD2 C 8.907 1.622 4.239 1.00 . A A . 27 HIS CD2 1 1 6 2990 1 1 27 HIS CE1 C 9.416 3.676 4.802 1.00 . A A . 27 HIS CE1 1 1 6 2991 1 1 27 HIS CG C 9.755 2.109 3.302 1.00 . A A . 27 HIS CG 1 1 6 2992 1 1 27 HIS H H 9.024 3.436 1.069 1.00 . A A . 27 HIS H 1 1 6 2993 1 1 27 HIS HA H 11.761 2.999 1.596 1.00 . A A . 27 HIS HA 1 1 6 2994 1 1 27 HIS HB2 H 9.527 0.953 1.578 1.00 . A A . 27 HIS HB2 1 1 6 2995 1 1 27 HIS HB3 H 11.084 0.789 2.378 1.00 . A A . 27 HIS HB3 1 1 6 2996 1 1 27 HIS HD1 H 10.645 4.012 3.207 1.00 . A A . 27 HIS HD1 1 1 6 2997 1 1 27 HIS HD2 H 8.466 0.636 4.257 1.00 . A A . 27 HIS HD2 1 1 6 2998 1 1 27 HIS HE1 H 9.459 4.612 5.326 1.00 . A A . 27 HIS HE1 1 1 6 2999 1 1 27 HIS HE2 H 8.141 2.562 5.955 1.00 . A A . 27 HIS HE2 1 1 6 3000 1 1 27 HIS N N 9.950 3.522 0.754 1.00 . A A . 27 HIS N 1 1 6 3001 1 1 27 HIS ND1 N 10.053 3.395 3.685 1.00 . A A . 27 HIS ND1 1 1 6 3002 1 1 27 HIS NE2 N 8.712 2.619 5.161 1.00 . A A . 27 HIS NE2 1 1 6 3003 1 1 27 HIS O O 12.634 1.734 -0.388 1.00 . A A . 27 HIS O 1 1 6 3004 1 1 28 ARG C C 11.482 1.675 -3.211 1.00 . A A . 28 ARG C 1 1 6 3005 1 1 28 ARG CA C 10.848 0.692 -2.225 1.00 . A A . 28 ARG CA 1 1 6 3006 1 1 28 ARG CB C 9.599 0.060 -2.849 1.00 . A A . 28 ARG CB 1 1 6 3007 1 1 28 ARG CD C 8.292 -2.088 -2.867 1.00 . A A . 28 ARG CD 1 1 6 3008 1 1 28 ARG CG C 8.987 -1.047 -2.004 1.00 . A A . 28 ARG CG 1 1 6 3009 1 1 28 ARG CZ C 6.096 -2.344 -3.959 1.00 . A A . 28 ARG CZ 1 1 6 3010 1 1 28 ARG H H 9.556 1.468 -0.741 1.00 . A A . 28 ARG H 1 1 6 3011 1 1 28 ARG HA H 11.562 -0.087 -2.001 1.00 . A A . 28 ARG HA 1 1 6 3012 1 1 28 ARG HB2 H 8.854 0.829 -2.989 1.00 . A A . 28 ARG HB2 1 1 6 3013 1 1 28 ARG HB3 H 9.862 -0.355 -3.811 1.00 . A A . 28 ARG HB3 1 1 6 3014 1 1 28 ARG HD2 H 8.968 -2.400 -3.649 1.00 . A A . 28 ARG HD2 1 1 6 3015 1 1 28 ARG HD3 H 8.043 -2.940 -2.248 1.00 . A A . 28 ARG HD3 1 1 6 3016 1 1 28 ARG HE H 6.965 -0.599 -3.529 1.00 . A A . 28 ARG HE 1 1 6 3017 1 1 28 ARG HG2 H 9.769 -1.528 -1.437 1.00 . A A . 28 ARG HG2 1 1 6 3018 1 1 28 ARG HG3 H 8.265 -0.611 -1.328 1.00 . A A . 28 ARG HG3 1 1 6 3019 1 1 28 ARG HH11 H 7.012 -4.089 -3.502 1.00 . A A . 28 ARG HH11 1 1 6 3020 1 1 28 ARG HH12 H 5.467 -4.240 -4.270 1.00 . A A . 28 ARG HH12 1 1 6 3021 1 1 28 ARG HH21 H 4.932 -0.798 -4.539 1.00 . A A . 28 ARG HH21 1 1 6 3022 1 1 28 ARG HH22 H 4.286 -2.374 -4.859 1.00 . A A . 28 ARG HH22 1 1 6 3023 1 1 28 ARG N N 10.500 1.354 -0.975 1.00 . A A . 28 ARG N 1 1 6 3024 1 1 28 ARG NE N 7.068 -1.572 -3.477 1.00 . A A . 28 ARG NE 1 1 6 3025 1 1 28 ARG NH1 N 6.201 -3.666 -3.906 1.00 . A A . 28 ARG NH1 1 1 6 3026 1 1 28 ARG NH2 N 5.016 -1.793 -4.497 1.00 . A A . 28 ARG NH2 1 1 6 3027 1 1 28 ARG O O 12.412 1.327 -3.938 1.00 . A A . 28 ARG O 1 1 6 3028 1 1 29 LEU C C 12.824 4.475 -3.699 1.00 . A A . 29 LEU C 1 1 6 3029 1 1 29 LEU CA C 11.464 3.937 -4.136 1.00 . A A . 29 LEU CA 1 1 6 3030 1 1 29 LEU CB C 10.460 5.088 -4.220 1.00 . A A . 29 LEU CB 1 1 6 3031 1 1 29 LEU CD1 C 11.476 5.896 -6.368 1.00 . A A . 29 LEU CD1 1 1 6 3032 1 1 29 LEU CD2 C 9.812 7.319 -5.158 1.00 . A A . 29 LEU CD2 1 1 6 3033 1 1 29 LEU CG C 10.939 6.312 -5.006 1.00 . A A . 29 LEU CG 1 1 6 3034 1 1 29 LEU H H 10.224 3.118 -2.629 1.00 . A A . 29 LEU H 1 1 6 3035 1 1 29 LEU HA H 11.564 3.499 -5.111 1.00 . A A . 29 LEU HA 1 1 6 3036 1 1 29 LEU HB2 H 9.558 4.717 -4.684 1.00 . A A . 29 LEU HB2 1 1 6 3037 1 1 29 LEU HB3 H 10.224 5.405 -3.215 1.00 . A A . 29 LEU HB3 1 1 6 3038 1 1 29 LEU HD11 H 10.656 5.589 -7.000 1.00 . A A . 29 LEU HD11 1 1 6 3039 1 1 29 LEU HD12 H 12.165 5.072 -6.247 1.00 . A A . 29 LEU HD12 1 1 6 3040 1 1 29 LEU HD13 H 11.990 6.731 -6.823 1.00 . A A . 29 LEU HD13 1 1 6 3041 1 1 29 LEU HD21 H 10.222 8.279 -5.435 1.00 . A A . 29 LEU HD21 1 1 6 3042 1 1 29 LEU HD22 H 9.284 7.410 -4.221 1.00 . A A . 29 LEU HD22 1 1 6 3043 1 1 29 LEU HD23 H 9.130 6.984 -5.926 1.00 . A A . 29 LEU HD23 1 1 6 3044 1 1 29 LEU HG H 11.742 6.787 -4.462 1.00 . A A . 29 LEU HG 1 1 6 3045 1 1 29 LEU N N 10.964 2.902 -3.234 1.00 . A A . 29 LEU N 1 1 6 3046 1 1 29 LEU O O 13.748 4.606 -4.502 1.00 . A A . 29 LEU O 1 1 6 3047 1 1 30 ALA C C 15.265 4.383 -1.728 1.00 . A A . 30 ALA C 1 1 6 3048 1 1 30 ALA CA C 14.124 5.392 -1.851 1.00 . A A . 30 ALA CA 1 1 6 3049 1 1 30 ALA CB C 13.798 5.987 -0.491 1.00 . A A . 30 ALA CB 1 1 6 3050 1 1 30 ALA H H 12.127 4.714 -1.859 1.00 . A A . 30 ALA H 1 1 6 3051 1 1 30 ALA HA H 14.443 6.199 -2.494 1.00 . A A . 30 ALA HA 1 1 6 3052 1 1 30 ALA HB1 H 14.634 6.573 -0.141 1.00 . A A . 30 ALA HB1 1 1 6 3053 1 1 30 ALA HB2 H 13.597 5.189 0.210 1.00 . A A . 30 ALA HB2 1 1 6 3054 1 1 30 ALA HB3 H 12.924 6.617 -0.577 1.00 . A A . 30 ALA HB3 1 1 6 3055 1 1 30 ALA N N 12.914 4.819 -2.425 1.00 . A A . 30 ALA N 1 1 6 3056 1 1 30 ALA O O 16.434 4.762 -1.794 1.00 . A A . 30 ALA O 1 1 6 3057 1 1 31 ASN C C 16.491 1.660 -2.782 1.00 . A A . 31 ASN C 1 1 6 3058 1 1 31 ASN CA C 15.974 2.085 -1.411 1.00 . A A . 31 ASN CA 1 1 6 3059 1 1 31 ASN CB C 15.449 0.870 -0.640 1.00 . A A . 31 ASN CB 1 1 6 3060 1 1 31 ASN CG C 16.532 0.201 0.187 1.00 . A A . 31 ASN CG 1 1 6 3061 1 1 31 ASN H H 13.995 2.852 -1.490 1.00 . A A . 31 ASN H 1 1 6 3062 1 1 31 ASN HA H 16.792 2.522 -0.857 1.00 . A A . 31 ASN HA 1 1 6 3063 1 1 31 ASN HB2 H 14.665 1.186 0.030 1.00 . A A . 31 ASN HB2 1 1 6 3064 1 1 31 ASN HB3 H 15.054 0.145 -1.339 1.00 . A A . 31 ASN HB3 1 1 6 3065 1 1 31 ASN HD21 H 16.606 1.772 1.403 1.00 . A A . 31 ASN HD21 1 1 6 3066 1 1 31 ASN HD22 H 17.689 0.479 1.780 1.00 . A A . 31 ASN HD22 1 1 6 3067 1 1 31 ASN N N 14.938 3.108 -1.542 1.00 . A A . 31 ASN N 1 1 6 3068 1 1 31 ASN ND2 N 16.988 0.886 1.229 1.00 . A A . 31 ASN ND2 1 1 6 3069 1 1 31 ASN O O 16.411 0.490 -3.156 1.00 . A A . 31 ASN O 1 1 6 3070 1 1 31 ASN OD1 O 16.952 -0.920 -0.106 1.00 . A A . 31 ASN OD1 1 1 6 3071 1 1 32 GLY C C 19.059 2.174 -4.847 1.00 . A A . 32 GLY C 1 1 6 3072 1 1 32 GLY CA C 17.552 2.345 -4.851 1.00 . A A . 32 GLY CA 1 1 6 3073 1 1 32 GLY H H 17.062 3.538 -3.174 1.00 . A A . 32 GLY H 1 1 6 3074 1 1 32 GLY HA2 H 17.097 1.440 -5.227 1.00 . A A . 32 GLY HA2 1 1 6 3075 1 1 32 GLY HA3 H 17.296 3.162 -5.508 1.00 . A A . 32 GLY HA3 1 1 6 3076 1 1 32 GLY N N 17.025 2.626 -3.527 1.00 . A A . 32 GLY N 1 1 6 3077 1 1 32 GLY O O 19.791 3.041 -5.325 1.00 . A A . 32 GLY O 1 1 6 3078 1 1 33 GLY C C 21.261 -0.460 -3.446 1.00 . A A . 33 GLY C 1 1 6 3079 1 1 33 GLY CA C 20.946 0.786 -4.250 1.00 . A A . 33 GLY CA 1 1 6 3080 1 1 33 GLY H H 18.889 0.400 -3.942 1.00 . A A . 33 GLY H 1 1 6 3081 1 1 33 GLY HA2 H 21.319 0.658 -5.255 1.00 . A A . 33 GLY HA2 1 1 6 3082 1 1 33 GLY HA3 H 21.443 1.630 -3.796 1.00 . A A . 33 GLY HA3 1 1 6 3083 1 1 33 GLY N N 19.522 1.053 -4.306 1.00 . A A . 33 GLY N 1 1 6 3084 1 1 33 GLY O O 22.152 -1.230 -3.805 1.00 . A A . 33 GLY O 1 1 6 3085 1 1 34 ASN C C 19.881 -2.999 -2.017 1.00 . A A . 34 ASN C 1 1 6 3086 1 1 34 ASN CA C 20.712 -1.826 -1.510 1.00 . A A . 34 ASN CA 1 1 6 3087 1 1 34 ASN CB C 20.327 -1.501 -0.065 1.00 . A A . 34 ASN CB 1 1 6 3088 1 1 34 ASN CG C 21.433 -0.776 0.678 1.00 . A A . 34 ASN CG 1 1 6 3089 1 1 34 ASN H H 19.819 -0.015 -2.136 1.00 . A A . 34 ASN H 1 1 6 3090 1 1 34 ASN HA H 21.757 -2.097 -1.546 1.00 . A A . 34 ASN HA 1 1 6 3091 1 1 34 ASN HB2 H 19.448 -0.873 -0.065 1.00 . A A . 34 ASN HB2 1 1 6 3092 1 1 34 ASN HB3 H 20.108 -2.419 0.458 1.00 . A A . 34 ASN HB3 1 1 6 3093 1 1 34 ASN HD21 H 20.783 0.972 -0.011 1.00 . A A . 34 ASN HD21 1 1 6 3094 1 1 34 ASN HD22 H 22.168 1.039 1.019 1.00 . A A . 34 ASN HD22 1 1 6 3095 1 1 34 ASN N N 20.518 -0.662 -2.363 1.00 . A A . 34 ASN N 1 1 6 3096 1 1 34 ASN ND2 N 21.465 0.544 0.549 1.00 . A A . 34 ASN ND2 1 1 6 3097 1 1 34 ASN O O 20.388 -4.107 -2.187 1.00 . A A . 34 ASN O 1 1 6 3098 1 1 34 ASN OD1 O 22.248 -1.397 1.362 1.00 . A A . 34 ASN OD1 1 1 6 3099 1 1 35 GLY C C 17.784 -3.927 -4.259 1.00 . A A . 35 GLY C 1 1 6 3100 1 1 35 GLY CA C 17.713 -3.778 -2.751 1.00 . A A . 35 GLY CA 1 1 6 3101 1 1 35 GLY H H 18.255 -1.836 -2.107 1.00 . A A . 35 GLY H 1 1 6 3102 1 1 35 GLY HA2 H 17.983 -4.719 -2.292 1.00 . A A . 35 GLY HA2 1 1 6 3103 1 1 35 GLY HA3 H 16.699 -3.532 -2.472 1.00 . A A . 35 GLY HA3 1 1 6 3104 1 1 35 GLY N N 18.600 -2.741 -2.260 1.00 . A A . 35 GLY N 1 1 6 3105 1 1 35 GLY O O 18.820 -3.659 -4.865 1.00 . A A . 35 GLY O 1 1 6 3106 1 1 36 PHE C C 16.486 -3.188 -7.025 1.00 . A A . 36 PHE C 1 1 6 3107 1 1 36 PHE CA C 16.622 -4.530 -6.311 1.00 . A A . 36 PHE CA 1 1 6 3108 1 1 36 PHE CB C 15.456 -5.443 -6.682 1.00 . A A . 36 PHE CB 1 1 6 3109 1 1 36 PHE CD1 C 13.539 -3.903 -7.126 1.00 . A A . 36 PHE CD1 1 1 6 3110 1 1 36 PHE CD2 C 13.448 -5.297 -5.196 1.00 . A A . 36 PHE CD2 1 1 6 3111 1 1 36 PHE CE1 C 12.305 -3.368 -6.804 1.00 . A A . 36 PHE CE1 1 1 6 3112 1 1 36 PHE CE2 C 12.214 -4.769 -4.865 1.00 . A A . 36 PHE CE2 1 1 6 3113 1 1 36 PHE CG C 14.120 -4.870 -6.327 1.00 . A A . 36 PHE CG 1 1 6 3114 1 1 36 PHE CZ C 11.641 -3.802 -5.672 1.00 . A A . 36 PHE CZ 1 1 6 3115 1 1 36 PHE H H 15.882 -4.542 -4.327 1.00 . A A . 36 PHE H 1 1 6 3116 1 1 36 PHE HA H 17.541 -4.997 -6.624 1.00 . A A . 36 PHE HA 1 1 6 3117 1 1 36 PHE HB2 H 15.471 -5.619 -7.748 1.00 . A A . 36 PHE HB2 1 1 6 3118 1 1 36 PHE HB3 H 15.565 -6.385 -6.165 1.00 . A A . 36 PHE HB3 1 1 6 3119 1 1 36 PHE HD1 H 14.063 -3.566 -8.009 1.00 . A A . 36 PHE HD1 1 1 6 3120 1 1 36 PHE HD2 H 13.898 -6.052 -4.568 1.00 . A A . 36 PHE HD2 1 1 6 3121 1 1 36 PHE HE1 H 11.862 -2.613 -7.436 1.00 . A A . 36 PHE HE1 1 1 6 3122 1 1 36 PHE HE2 H 11.698 -5.110 -3.980 1.00 . A A . 36 PHE HE2 1 1 6 3123 1 1 36 PHE HZ H 10.677 -3.386 -5.417 1.00 . A A . 36 PHE HZ 1 1 6 3124 1 1 36 PHE N N 16.679 -4.349 -4.865 1.00 . A A . 36 PHE N 1 1 6 3125 1 1 36 PHE O O 15.691 -2.338 -6.629 1.00 . A A . 36 PHE O 1 1 6 3126 1 1 37 TRP C C 16.010 -1.720 -9.758 1.00 . A A . 37 TRP C 1 1 6 3127 1 1 37 TRP CA C 17.240 -1.769 -8.857 1.00 . A A . 37 TRP CA 1 1 6 3128 1 1 37 TRP CB C 18.509 -1.640 -9.703 1.00 . A A . 37 TRP CB 1 1 6 3129 1 1 37 TRP CD1 C 18.029 -3.683 -11.171 1.00 . A A . 37 TRP CD1 1 1 6 3130 1 1 37 TRP CD2 C 20.154 -3.523 -10.487 1.00 . A A . 37 TRP CD2 1 1 6 3131 1 1 37 TRP CE2 C 20.023 -4.682 -11.275 1.00 . A A . 37 TRP CE2 1 1 6 3132 1 1 37 TRP CE3 C 21.407 -3.214 -9.947 1.00 . A A . 37 TRP CE3 1 1 6 3133 1 1 37 TRP CG C 18.867 -2.899 -10.432 1.00 . A A . 37 TRP CG 1 1 6 3134 1 1 37 TRP CH2 C 22.308 -5.205 -10.995 1.00 . A A . 37 TRP CH2 1 1 6 3135 1 1 37 TRP CZ2 C 21.095 -5.532 -11.535 1.00 . A A . 37 TRP CZ2 1 1 6 3136 1 1 37 TRP CZ3 C 22.470 -4.059 -10.207 1.00 . A A . 37 TRP CZ3 1 1 6 3137 1 1 37 TRP H H 17.884 -3.723 -8.349 1.00 . A A . 37 TRP H 1 1 6 3138 1 1 37 TRP HA H 17.197 -0.943 -8.162 1.00 . A A . 37 TRP HA 1 1 6 3139 1 1 37 TRP HB2 H 18.367 -0.860 -10.437 1.00 . A A . 37 TRP HB2 1 1 6 3140 1 1 37 TRP HB3 H 19.338 -1.378 -9.061 1.00 . A A . 37 TRP HB3 1 1 6 3141 1 1 37 TRP HD1 H 16.980 -3.478 -11.323 1.00 . A A . 37 TRP HD1 1 1 6 3142 1 1 37 TRP HE1 H 18.333 -5.464 -12.242 1.00 . A A . 37 TRP HE1 1 1 6 3143 1 1 37 TRP HE3 H 21.551 -2.335 -9.338 1.00 . A A . 37 TRP HE3 1 1 6 3144 1 1 37 TRP HH2 H 23.167 -5.837 -11.170 1.00 . A A . 37 TRP HH2 1 1 6 3145 1 1 37 TRP HZ2 H 20.987 -6.420 -12.141 1.00 . A A . 37 TRP HZ2 1 1 6 3146 1 1 37 TRP HZ3 H 23.445 -3.837 -9.798 1.00 . A A . 37 TRP HZ3 1 1 6 3147 1 1 37 TRP N N 17.269 -3.007 -8.084 1.00 . A A . 37 TRP N 1 1 6 3148 1 1 37 TRP NE1 N 18.716 -4.758 -11.680 1.00 . A A . 37 TRP NE1 1 1 6 3149 1 1 37 TRP O O 15.251 -2.712 -9.775 1.00 . A A . 37 TRP O 1 1 6 3150 1 1 37 TRP OXT O 15.819 -0.692 -10.440 1.00 . A A . 37 TRP OXT 1 1 7 3151 1 1 1 LYS C C -6.475 -4.294 5.758 1.00 . A A . 1 LYS C 1 1 7 3152 1 1 1 LYS CA C -7.477 -4.931 6.712 1.00 . A A . 1 LYS CA 1 1 7 3153 1 1 1 LYS CB C -8.365 -5.914 5.941 1.00 . A A . 1 LYS CB 1 1 7 3154 1 1 1 LYS CD C -10.187 -6.248 4.249 1.00 . A A . 1 LYS CD 1 1 7 3155 1 1 1 LYS CE C -11.410 -6.412 5.137 1.00 . A A . 1 LYS CE 1 1 7 3156 1 1 1 LYS CG C -9.195 -5.264 4.847 1.00 . A A . 1 LYS CG 1 1 7 3157 1 1 1 LYS HA H -6.944 -5.464 7.484 1.00 . A A . 1 LYS HA 1 1 7 3158 1 1 1 LYS HB2 H -7.739 -6.664 5.484 1.00 . A A . 1 LYS HB2 1 1 7 3159 1 1 1 LYS HB3 H -9.040 -6.393 6.636 1.00 . A A . 1 LYS HB3 1 1 7 3160 1 1 1 LYS HD2 H -10.502 -5.885 3.282 1.00 . A A . 1 LYS HD2 1 1 7 3161 1 1 1 LYS HD3 H -9.702 -7.207 4.137 1.00 . A A . 1 LYS HD3 1 1 7 3162 1 1 1 LYS HE2 H -11.183 -6.020 6.117 1.00 . A A . 1 LYS HE2 1 1 7 3163 1 1 1 LYS HE3 H -12.230 -5.854 4.708 1.00 . A A . 1 LYS HE3 1 1 7 3164 1 1 1 LYS HG2 H -9.736 -4.430 5.267 1.00 . A A . 1 LYS HG2 1 1 7 3165 1 1 1 LYS HG3 H -8.536 -4.914 4.066 1.00 . A A . 1 LYS HG3 1 1 7 3166 1 1 1 LYS HZ1 H -11.740 -8.320 4.354 1.00 . A A . 1 LYS HZ1 1 1 7 3167 1 1 1 LYS HZ2 H -12.797 -7.902 5.606 1.00 . A A . 1 LYS HZ2 1 1 7 3168 1 1 1 LYS HZ3 H -11.197 -8.321 5.956 1.00 . A A . 1 LYS HZ3 1 1 7 3169 1 1 1 LYS N N -8.349 -3.911 7.349 1.00 . A A . 1 LYS N 1 1 7 3170 1 1 1 LYS NZ N -11.814 -7.838 5.273 1.00 . A A . 1 LYS NZ 1 1 7 3171 1 1 1 LYS O O -6.860 -3.736 4.733 1.00 . A A . 1 LYS O 1 1 7 3172 1 1 2 TYR C C -3.904 -4.757 4.053 1.00 . A A . 2 TYR C 1 1 7 3173 1 1 2 TYR CA C -4.168 -3.816 5.216 1.00 . A A . 2 TYR CA 1 1 7 3174 1 1 2 TYR CB C -2.879 -3.589 5.972 1.00 . A A . 2 TYR CB 1 1 7 3175 1 1 2 TYR CD1 C -2.729 -1.165 6.443 1.00 . A A . 2 TYR CD1 1 1 7 3176 1 1 2 TYR CD2 C -1.353 -2.036 4.727 1.00 . A A . 2 TYR CD2 1 1 7 3177 1 1 2 TYR CE1 C -2.212 0.089 6.235 1.00 . A A . 2 TYR CE1 1 1 7 3178 1 1 2 TYR CE2 C -0.835 -0.790 4.498 1.00 . A A . 2 TYR CE2 1 1 7 3179 1 1 2 TYR CG C -2.308 -2.237 5.704 1.00 . A A . 2 TYR CG 1 1 7 3180 1 1 2 TYR CZ C -1.264 0.272 5.258 1.00 . A A . 2 TYR CZ 1 1 7 3181 1 1 2 TYR H H -4.919 -4.832 6.904 1.00 . A A . 2 TYR H 1 1 7 3182 1 1 2 TYR HA H -4.522 -2.863 4.850 1.00 . A A . 2 TYR HA 1 1 7 3183 1 1 2 TYR HB2 H -3.070 -3.664 7.030 1.00 . A A . 2 TYR HB2 1 1 7 3184 1 1 2 TYR HB3 H -2.150 -4.326 5.678 1.00 . A A . 2 TYR HB3 1 1 7 3185 1 1 2 TYR HD1 H -3.487 -1.324 7.186 1.00 . A A . 2 TYR HD1 1 1 7 3186 1 1 2 TYR HD2 H -1.029 -2.868 4.129 1.00 . A A . 2 TYR HD2 1 1 7 3187 1 1 2 TYR HE1 H -2.557 0.918 6.826 1.00 . A A . 2 TYR HE1 1 1 7 3188 1 1 2 TYR HE2 H -0.098 -0.651 3.723 1.00 . A A . 2 TYR HE2 1 1 7 3189 1 1 2 TYR HH H 0.221 1.437 4.930 1.00 . A A . 2 TYR HH 1 1 7 3190 1 1 2 TYR N N -5.186 -4.382 6.079 1.00 . A A . 2 TYR N 1 1 7 3191 1 1 2 TYR O O -3.802 -5.968 4.236 1.00 . A A . 2 TYR O 1 1 7 3192 1 1 2 TYR OH O -0.731 1.516 5.045 1.00 . A A . 2 TYR OH 1 1 7 3193 1 1 3 TYR C C -2.087 -5.049 1.301 1.00 . A A . 3 TYR C 1 1 7 3194 1 1 3 TYR CA C -3.562 -5.023 1.673 1.00 . A A . 3 TYR CA 1 1 7 3195 1 1 3 TYR CB C -4.399 -4.493 0.512 1.00 . A A . 3 TYR CB 1 1 7 3196 1 1 3 TYR CD1 C -5.967 -6.357 -0.132 1.00 . A A . 3 TYR CD1 1 1 7 3197 1 1 3 TYR CD2 C -6.878 -4.453 0.975 1.00 . A A . 3 TYR CD2 1 1 7 3198 1 1 3 TYR CE1 C -7.221 -6.930 -0.189 1.00 . A A . 3 TYR CE1 1 1 7 3199 1 1 3 TYR CE2 C -8.136 -5.020 0.923 1.00 . A A . 3 TYR CE2 1 1 7 3200 1 1 3 TYR CG C -5.774 -5.111 0.448 1.00 . A A . 3 TYR CG 1 1 7 3201 1 1 3 TYR CZ C -8.303 -6.256 0.338 1.00 . A A . 3 TYR CZ 1 1 7 3202 1 1 3 TYR H H -3.884 -3.230 2.767 1.00 . A A . 3 TYR H 1 1 7 3203 1 1 3 TYR HA H -3.881 -6.032 1.899 1.00 . A A . 3 TYR HA 1 1 7 3204 1 1 3 TYR HB2 H -4.519 -3.425 0.628 1.00 . A A . 3 TYR HB2 1 1 7 3205 1 1 3 TYR HB3 H -3.894 -4.696 -0.423 1.00 . A A . 3 TYR HB3 1 1 7 3206 1 1 3 TYR HD1 H -5.117 -6.882 -0.544 1.00 . A A . 3 TYR HD1 1 1 7 3207 1 1 3 TYR HD2 H -6.743 -3.489 1.440 1.00 . A A . 3 TYR HD2 1 1 7 3208 1 1 3 TYR HE1 H -7.351 -7.901 -0.645 1.00 . A A . 3 TYR HE1 1 1 7 3209 1 1 3 TYR HE2 H -8.983 -4.491 1.335 1.00 . A A . 3 TYR HE2 1 1 7 3210 1 1 3 TYR HH H -10.009 -6.514 -0.506 1.00 . A A . 3 TYR HH 1 1 7 3211 1 1 3 TYR N N -3.797 -4.205 2.858 1.00 . A A . 3 TYR N 1 1 7 3212 1 1 3 TYR O O -1.585 -6.040 0.769 1.00 . A A . 3 TYR O 1 1 7 3213 1 1 3 TYR OH O -9.555 -6.821 0.283 1.00 . A A . 3 TYR OH 1 1 7 3214 1 1 4 GLY C C 0.377 -2.543 0.642 1.00 . A A . 4 GLY C 1 1 7 3215 1 1 4 GLY CA C 0.016 -3.867 1.279 1.00 . A A . 4 GLY CA 1 1 7 3216 1 1 4 GLY H H -1.854 -3.196 2.001 1.00 . A A . 4 GLY H 1 1 7 3217 1 1 4 GLY HA2 H 0.578 -3.987 2.201 1.00 . A A . 4 GLY HA2 1 1 7 3218 1 1 4 GLY HA3 H 0.277 -4.664 0.601 1.00 . A A . 4 GLY HA3 1 1 7 3219 1 1 4 GLY N N -1.398 -3.953 1.580 1.00 . A A . 4 GLY N 1 1 7 3220 1 1 4 GLY O O 1.510 -2.075 0.755 1.00 . A A . 4 GLY O 1 1 7 3221 1 1 5 ASN C C -1.140 0.431 0.082 1.00 . A A . 5 ASN C 1 1 7 3222 1 1 5 ASN CA C -0.417 -0.662 -0.689 1.00 . A A . 5 ASN CA 1 1 7 3223 1 1 5 ASN CB C -0.960 -0.729 -2.119 1.00 . A A . 5 ASN CB 1 1 7 3224 1 1 5 ASN CG C 0.101 -1.129 -3.122 1.00 . A A . 5 ASN CG 1 1 7 3225 1 1 5 ASN H H -1.480 -2.374 -0.066 1.00 . A A . 5 ASN H 1 1 7 3226 1 1 5 ASN HA H 0.640 -0.438 -0.720 1.00 . A A . 5 ASN HA 1 1 7 3227 1 1 5 ASN HB2 H -1.760 -1.455 -2.162 1.00 . A A . 5 ASN HB2 1 1 7 3228 1 1 5 ASN HB3 H -1.345 0.240 -2.397 1.00 . A A . 5 ASN HB3 1 1 7 3229 1 1 5 ASN HD21 H -0.690 0.093 -4.475 1.00 . A A . 5 ASN HD21 1 1 7 3230 1 1 5 ASN HD22 H 0.703 -0.791 -4.986 1.00 . A A . 5 ASN HD22 1 1 7 3231 1 1 5 ASN N N -0.601 -1.943 -0.023 1.00 . A A . 5 ASN N 1 1 7 3232 1 1 5 ASN ND2 N 0.032 -0.550 -4.315 1.00 . A A . 5 ASN ND2 1 1 7 3233 1 1 5 ASN O O -1.937 1.180 -0.483 1.00 . A A . 5 ASN O 1 1 7 3234 1 1 5 ASN OD1 O 0.971 -1.949 -2.829 1.00 . A A . 5 ASN OD1 1 1 7 3235 1 1 6 GLY C C -3.057 1.471 2.005 1.00 . A A . 6 GLY C 1 1 7 3236 1 1 6 GLY CA C -1.559 1.485 2.205 1.00 . A A . 6 GLY CA 1 1 7 3237 1 1 6 GLY H H -0.274 -0.148 1.798 1.00 . A A . 6 GLY H 1 1 7 3238 1 1 6 GLY HA2 H -1.343 1.285 3.233 1.00 . A A . 6 GLY HA2 1 1 7 3239 1 1 6 GLY HA3 H -1.182 2.461 1.953 1.00 . A A . 6 GLY HA3 1 1 7 3240 1 1 6 GLY N N -0.892 0.496 1.386 1.00 . A A . 6 GLY N 1 1 7 3241 1 1 6 GLY O O -3.724 2.486 2.187 1.00 . A A . 6 GLY O 1 1 7 3242 1 1 7 VAL C C -5.664 -0.686 2.448 1.00 . A A . 7 VAL C 1 1 7 3243 1 1 7 VAL CA C -5.015 0.177 1.377 1.00 . A A . 7 VAL CA 1 1 7 3244 1 1 7 VAL CB C -5.323 -0.447 0.002 1.00 . A A . 7 VAL CB 1 1 7 3245 1 1 7 VAL CG1 C -6.773 -0.873 -0.054 1.00 . A A . 7 VAL CG1 1 1 7 3246 1 1 7 VAL CG2 C -5.037 0.533 -1.114 1.00 . A A . 7 VAL CG2 1 1 7 3247 1 1 7 VAL H H -2.994 -0.454 1.472 1.00 . A A . 7 VAL H 1 1 7 3248 1 1 7 VAL HA H -5.464 1.160 1.407 1.00 . A A . 7 VAL HA 1 1 7 3249 1 1 7 VAL HB H -4.700 -1.320 -0.134 1.00 . A A . 7 VAL HB 1 1 7 3250 1 1 7 VAL HG11 H -6.882 -1.843 0.405 1.00 . A A . 7 VAL HG11 1 1 7 3251 1 1 7 VAL HG12 H -7.098 -0.917 -1.083 1.00 . A A . 7 VAL HG12 1 1 7 3252 1 1 7 VAL HG13 H -7.364 -0.148 0.486 1.00 . A A . 7 VAL HG13 1 1 7 3253 1 1 7 VAL HG21 H -4.344 1.281 -0.767 1.00 . A A . 7 VAL HG21 1 1 7 3254 1 1 7 VAL HG22 H -5.963 1.005 -1.412 1.00 . A A . 7 VAL HG22 1 1 7 3255 1 1 7 VAL HG23 H -4.613 0.007 -1.956 1.00 . A A . 7 VAL HG23 1 1 7 3256 1 1 7 VAL N N -3.583 0.319 1.609 1.00 . A A . 7 VAL N 1 1 7 3257 1 1 7 VAL O O -5.473 -1.902 2.470 1.00 . A A . 7 VAL O 1 1 7 3258 1 1 8 HIS C C -8.641 -0.795 4.105 1.00 . A A . 8 HIS C 1 1 7 3259 1 1 8 HIS CA C -7.143 -0.810 4.351 1.00 . A A . 8 HIS CA 1 1 7 3260 1 1 8 HIS CB C -6.854 -0.269 5.758 1.00 . A A . 8 HIS CB 1 1 7 3261 1 1 8 HIS CD2 C -4.713 1.028 5.111 1.00 . A A . 8 HIS CD2 1 1 7 3262 1 1 8 HIS CE1 C -4.939 2.704 6.502 1.00 . A A . 8 HIS CE1 1 1 7 3263 1 1 8 HIS CG C -5.854 0.833 5.807 1.00 . A A . 8 HIS CG 1 1 7 3264 1 1 8 HIS H H -6.588 0.904 3.240 1.00 . A A . 8 HIS H 1 1 7 3265 1 1 8 HIS HA H -6.797 -1.824 4.291 1.00 . A A . 8 HIS HA 1 1 7 3266 1 1 8 HIS HB2 H -7.771 0.103 6.187 1.00 . A A . 8 HIS HB2 1 1 7 3267 1 1 8 HIS HB3 H -6.484 -1.078 6.371 1.00 . A A . 8 HIS HB3 1 1 7 3268 1 1 8 HIS HD1 H -6.691 2.042 7.312 1.00 . A A . 8 HIS HD1 1 1 7 3269 1 1 8 HIS HD2 H -4.302 0.369 4.354 1.00 . A A . 8 HIS HD2 1 1 7 3270 1 1 8 HIS HE1 H -4.766 3.619 7.043 1.00 . A A . 8 HIS HE1 1 1 7 3271 1 1 8 HIS HE2 H -3.267 2.531 5.332 1.00 . A A . 8 HIS HE2 1 1 7 3272 1 1 8 HIS N N -6.453 -0.064 3.314 1.00 . A A . 8 HIS N 1 1 7 3273 1 1 8 HIS ND1 N -5.966 1.899 6.669 1.00 . A A . 8 HIS ND1 1 1 7 3274 1 1 8 HIS NE2 N -4.159 2.199 5.563 1.00 . A A . 8 HIS NE2 1 1 7 3275 1 1 8 HIS O O -9.200 0.194 3.632 1.00 . A A . 8 HIS O 1 1 7 3276 1 1 9 CYS C C -11.363 -2.120 5.651 1.00 . A A . 9 CYS C 1 1 7 3277 1 1 9 CYS CA C -10.723 -2.007 4.280 1.00 . A A . 9 CYS CA 1 1 7 3278 1 1 9 CYS CB C -11.073 -3.201 3.396 1.00 . A A . 9 CYS CB 1 1 7 3279 1 1 9 CYS H H -8.790 -2.647 4.819 1.00 . A A . 9 CYS H 1 1 7 3280 1 1 9 CYS HA H -11.070 -1.104 3.817 1.00 . A A . 9 CYS HA 1 1 7 3281 1 1 9 CYS HB2 H -10.187 -3.508 2.862 1.00 . A A . 9 CYS HB2 1 1 7 3282 1 1 9 CYS HB3 H -11.416 -4.015 4.018 1.00 . A A . 9 CYS HB3 1 1 7 3283 1 1 9 CYS N N -9.289 -1.895 4.441 1.00 . A A . 9 CYS N 1 1 7 3284 1 1 9 CYS O O -11.703 -3.208 6.114 1.00 . A A . 9 CYS O 1 1 7 3285 1 1 9 CYS SG S -12.367 -2.859 2.158 1.00 . A A . 9 CYS SG 1 1 7 3286 1 1 10 THR C C -13.552 -0.644 7.628 1.00 . A A . 10 THR C 1 1 7 3287 1 1 10 THR CA C -12.054 -0.906 7.649 1.00 . A A . 10 THR CA 1 1 7 3288 1 1 10 THR CB C -11.350 0.185 8.472 1.00 . A A . 10 THR CB 1 1 7 3289 1 1 10 THR CG2 C -9.904 0.419 8.073 1.00 . A A . 10 THR CG2 1 1 7 3290 1 1 10 THR H H -11.180 -0.144 5.874 1.00 . A A . 10 THR H 1 1 7 3291 1 1 10 THR HA H -11.887 -1.857 8.119 1.00 . A A . 10 THR HA 1 1 7 3292 1 1 10 THR HB H -11.363 -0.104 9.513 1.00 . A A . 10 THR HB 1 1 7 3293 1 1 10 THR HG1 H -12.172 1.615 7.418 1.00 . A A . 10 THR HG1 1 1 7 3294 1 1 10 THR HG21 H -9.451 1.128 8.752 1.00 . A A . 10 THR HG21 1 1 7 3295 1 1 10 THR HG22 H -9.867 0.813 7.068 1.00 . A A . 10 THR HG22 1 1 7 3296 1 1 10 THR HG23 H -9.362 -0.514 8.114 1.00 . A A . 10 THR HG23 1 1 7 3297 1 1 10 THR N N -11.493 -0.970 6.304 1.00 . A A . 10 THR N 1 1 7 3298 1 1 10 THR O O -14.032 0.235 6.913 1.00 . A A . 10 THR O 1 1 7 3299 1 1 10 THR OG1 O -12.026 1.422 8.348 1.00 . A A . 10 THR OG1 1 1 7 3300 1 1 11 LYS C C -16.432 -2.087 7.458 1.00 . A A . 11 LYS C 1 1 7 3301 1 1 11 LYS CA C -15.720 -1.327 8.569 1.00 . A A . 11 LYS CA 1 1 7 3302 1 1 11 LYS CB C -16.181 0.136 8.607 1.00 . A A . 11 LYS CB 1 1 7 3303 1 1 11 LYS CD C -16.596 1.391 10.744 1.00 . A A . 11 LYS CD 1 1 7 3304 1 1 11 LYS CE C -16.578 0.522 11.991 1.00 . A A . 11 LYS CE 1 1 7 3305 1 1 11 LYS CG C -15.557 0.935 9.731 1.00 . A A . 11 LYS CG 1 1 7 3306 1 1 11 LYS H H -13.800 -2.102 8.967 1.00 . A A . 11 LYS H 1 1 7 3307 1 1 11 LYS HA H -15.983 -1.791 9.509 1.00 . A A . 11 LYS HA 1 1 7 3308 1 1 11 LYS HB2 H -15.925 0.617 7.678 1.00 . A A . 11 LYS HB2 1 1 7 3309 1 1 11 LYS HB3 H -17.252 0.160 8.730 1.00 . A A . 11 LYS HB3 1 1 7 3310 1 1 11 LYS HD2 H -16.386 2.412 11.026 1.00 . A A . 11 LYS HD2 1 1 7 3311 1 1 11 LYS HD3 H -17.575 1.336 10.291 1.00 . A A . 11 LYS HD3 1 1 7 3312 1 1 11 LYS HE2 H -17.595 0.280 12.261 1.00 . A A . 11 LYS HE2 1 1 7 3313 1 1 11 LYS HE3 H -16.037 -0.388 11.773 1.00 . A A . 11 LYS HE3 1 1 7 3314 1 1 11 LYS HG2 H -14.828 0.319 10.234 1.00 . A A . 11 LYS HG2 1 1 7 3315 1 1 11 LYS HG3 H -15.071 1.801 9.309 1.00 . A A . 11 LYS HG3 1 1 7 3316 1 1 11 LYS HZ1 H -16.550 1.953 13.511 1.00 . A A . 11 LYS HZ1 1 1 7 3317 1 1 11 LYS HZ2 H -15.033 1.649 12.828 1.00 . A A . 11 LYS HZ2 1 1 7 3318 1 1 11 LYS HZ3 H -15.718 0.530 13.894 1.00 . A A . 11 LYS HZ3 1 1 7 3319 1 1 11 LYS N N -14.269 -1.430 8.435 1.00 . A A . 11 LYS N 1 1 7 3320 1 1 11 LYS NZ N -15.924 1.212 13.136 1.00 . A A . 11 LYS NZ 1 1 7 3321 1 1 11 LYS O O -16.787 -3.255 7.618 1.00 . A A . 11 LYS O 1 1 7 3322 1 1 12 SER C C -16.855 -1.410 3.882 1.00 . A A . 12 SER C 1 1 7 3323 1 1 12 SER CA C -17.323 -2.021 5.200 1.00 . A A . 12 SER CA 1 1 7 3324 1 1 12 SER CB C -18.836 -1.866 5.335 1.00 . A A . 12 SER CB 1 1 7 3325 1 1 12 SER H H -16.341 -0.481 6.277 1.00 . A A . 12 SER H 1 1 7 3326 1 1 12 SER HA H -17.083 -3.071 5.199 1.00 . A A . 12 SER HA 1 1 7 3327 1 1 12 SER HB2 H -19.059 -1.306 6.228 1.00 . A A . 12 SER HB2 1 1 7 3328 1 1 12 SER HB3 H -19.220 -1.342 4.474 1.00 . A A . 12 SER HB3 1 1 7 3329 1 1 12 SER HG H -18.972 -3.703 6.007 1.00 . A A . 12 SER HG 1 1 7 3330 1 1 12 SER N N -16.646 -1.413 6.338 1.00 . A A . 12 SER N 1 1 7 3331 1 1 12 SER O O -17.566 -1.464 2.879 1.00 . A A . 12 SER O 1 1 7 3332 1 1 12 SER OG O -19.473 -3.130 5.421 1.00 . A A . 12 SER OG 1 1 7 3333 1 1 13 GLY C C -13.630 -0.092 2.700 1.00 . A A . 13 GLY C 1 1 7 3334 1 1 13 GLY CA C -15.139 -0.210 2.684 1.00 . A A . 13 GLY CA 1 1 7 3335 1 1 13 GLY H H -15.138 -0.804 4.717 1.00 . A A . 13 GLY H 1 1 7 3336 1 1 13 GLY HA2 H -15.434 -0.806 1.834 1.00 . A A . 13 GLY HA2 1 1 7 3337 1 1 13 GLY HA3 H -15.563 0.778 2.583 1.00 . A A . 13 GLY HA3 1 1 7 3338 1 1 13 GLY N N -15.663 -0.823 3.889 1.00 . A A . 13 GLY N 1 1 7 3339 1 1 13 GLY O O -13.015 -0.024 3.765 1.00 . A A . 13 GLY O 1 1 7 3340 1 1 14 CYS C C -11.168 1.493 1.240 1.00 . A A . 14 CYS C 1 1 7 3341 1 1 14 CYS CA C -11.579 0.045 1.413 1.00 . A A . 14 CYS CA 1 1 7 3342 1 1 14 CYS CB C -11.030 -0.809 0.271 1.00 . A A . 14 CYS CB 1 1 7 3343 1 1 14 CYS H H -13.562 -0.129 0.700 1.00 . A A . 14 CYS H 1 1 7 3344 1 1 14 CYS HA H -11.154 -0.301 2.330 1.00 . A A . 14 CYS HA 1 1 7 3345 1 1 14 CYS HB2 H -11.462 -0.474 -0.657 1.00 . A A . 14 CYS HB2 1 1 7 3346 1 1 14 CYS HB3 H -9.959 -0.673 0.232 1.00 . A A . 14 CYS HB3 1 1 7 3347 1 1 14 CYS N N -13.024 -0.071 1.517 1.00 . A A . 14 CYS N 1 1 7 3348 1 1 14 CYS O O -11.774 2.244 0.475 1.00 . A A . 14 CYS O 1 1 7 3349 1 1 14 CYS SG S -11.348 -2.609 0.415 1.00 . A A . 14 CYS SG 1 1 7 3350 1 1 15 SER C C -8.099 3.229 1.983 1.00 . A A . 15 SER C 1 1 7 3351 1 1 15 SER CA C -9.617 3.234 1.922 1.00 . A A . 15 SER CA 1 1 7 3352 1 1 15 SER CB C -10.186 4.057 3.081 1.00 . A A . 15 SER CB 1 1 7 3353 1 1 15 SER H H -9.697 1.216 2.557 1.00 . A A . 15 SER H 1 1 7 3354 1 1 15 SER HA H -9.928 3.675 0.987 1.00 . A A . 15 SER HA 1 1 7 3355 1 1 15 SER HB2 H -9.478 4.064 3.896 1.00 . A A . 15 SER HB2 1 1 7 3356 1 1 15 SER HB3 H -10.361 5.069 2.748 1.00 . A A . 15 SER HB3 1 1 7 3357 1 1 15 SER HG H -11.315 3.249 4.463 1.00 . A A . 15 SER HG 1 1 7 3358 1 1 15 SER N N -10.130 1.873 1.967 1.00 . A A . 15 SER N 1 1 7 3359 1 1 15 SER O O -7.486 2.199 2.262 1.00 . A A . 15 SER O 1 1 7 3360 1 1 15 SER OG O -11.409 3.509 3.544 1.00 . A A . 15 SER OG 1 1 7 3361 1 1 16 VAL C C -5.599 5.636 2.645 1.00 . A A . 16 VAL C 1 1 7 3362 1 1 16 VAL CA C -6.047 4.505 1.736 1.00 . A A . 16 VAL CA 1 1 7 3363 1 1 16 VAL CB C -5.469 4.772 0.335 1.00 . A A . 16 VAL CB 1 1 7 3364 1 1 16 VAL CG1 C -3.954 4.766 0.369 1.00 . A A . 16 VAL CG1 1 1 7 3365 1 1 16 VAL CG2 C -5.954 3.753 -0.659 1.00 . A A . 16 VAL CG2 1 1 7 3366 1 1 16 VAL H H -8.043 5.165 1.489 1.00 . A A . 16 VAL H 1 1 7 3367 1 1 16 VAL HA H -5.636 3.576 2.101 1.00 . A A . 16 VAL HA 1 1 7 3368 1 1 16 VAL HB H -5.802 5.746 0.012 1.00 . A A . 16 VAL HB 1 1 7 3369 1 1 16 VAL HG11 H -3.577 4.128 -0.420 1.00 . A A . 16 VAL HG11 1 1 7 3370 1 1 16 VAL HG12 H -3.618 4.393 1.323 1.00 . A A . 16 VAL HG12 1 1 7 3371 1 1 16 VAL HG13 H -3.594 5.767 0.223 1.00 . A A . 16 VAL HG13 1 1 7 3372 1 1 16 VAL HG21 H -6.058 2.801 -0.161 1.00 . A A . 16 VAL HG21 1 1 7 3373 1 1 16 VAL HG22 H -5.225 3.673 -1.456 1.00 . A A . 16 VAL HG22 1 1 7 3374 1 1 16 VAL HG23 H -6.904 4.067 -1.065 1.00 . A A . 16 VAL HG23 1 1 7 3375 1 1 16 VAL N N -7.498 4.381 1.711 1.00 . A A . 16 VAL N 1 1 7 3376 1 1 16 VAL O O -5.931 6.799 2.416 1.00 . A A . 16 VAL O 1 1 7 3377 1 1 17 ASN C C -3.350 7.238 3.824 1.00 . A A . 17 ASN C 1 1 7 3378 1 1 17 ASN CA C -4.299 6.307 4.574 1.00 . A A . 17 ASN CA 1 1 7 3379 1 1 17 ASN CB C -3.570 5.656 5.749 1.00 . A A . 17 ASN CB 1 1 7 3380 1 1 17 ASN CG C -4.077 6.149 7.092 1.00 . A A . 17 ASN CG 1 1 7 3381 1 1 17 ASN H H -4.567 4.355 3.782 1.00 . A A . 17 ASN H 1 1 7 3382 1 1 17 ASN HA H -5.130 6.882 4.946 1.00 . A A . 17 ASN HA 1 1 7 3383 1 1 17 ASN HB2 H -3.706 4.587 5.702 1.00 . A A . 17 ASN HB2 1 1 7 3384 1 1 17 ASN HB3 H -2.514 5.881 5.680 1.00 . A A . 17 ASN HB3 1 1 7 3385 1 1 17 ASN HD21 H -3.280 4.571 8.001 1.00 . A A . 17 ASN HD21 1 1 7 3386 1 1 17 ASN HD22 H -4.104 5.690 9.028 1.00 . A A . 17 ASN HD22 1 1 7 3387 1 1 17 ASN N N -4.818 5.298 3.660 1.00 . A A . 17 ASN N 1 1 7 3388 1 1 17 ASN ND2 N -3.792 5.393 8.147 1.00 . A A . 17 ASN ND2 1 1 7 3389 1 1 17 ASN O O -3.050 8.340 4.281 1.00 . A A . 17 ASN O 1 1 7 3390 1 1 17 ASN OD1 O -4.715 7.199 7.180 1.00 . A A . 17 ASN OD1 1 1 7 3391 1 1 18 TRP C C -0.643 7.761 2.522 1.00 . A A . 18 TRP C 1 1 7 3392 1 1 18 TRP CA C -1.971 7.544 1.828 1.00 . A A . 18 TRP CA 1 1 7 3393 1 1 18 TRP CB C -2.631 8.851 1.400 1.00 . A A . 18 TRP CB 1 1 7 3394 1 1 18 TRP CD1 C -5.032 8.744 0.522 1.00 . A A . 18 TRP CD1 1 1 7 3395 1 1 18 TRP CD2 C -3.483 8.062 -0.927 1.00 . A A . 18 TRP CD2 1 1 7 3396 1 1 18 TRP CE2 C -4.738 7.941 -1.534 1.00 . A A . 18 TRP CE2 1 1 7 3397 1 1 18 TRP CE3 C -2.351 7.687 -1.640 1.00 . A A . 18 TRP CE3 1 1 7 3398 1 1 18 TRP CG C -3.690 8.592 0.378 1.00 . A A . 18 TRP CG 1 1 7 3399 1 1 18 TRP CH2 C -3.769 7.097 -3.503 1.00 . A A . 18 TRP CH2 1 1 7 3400 1 1 18 TRP CZ2 C -4.895 7.459 -2.825 1.00 . A A . 18 TRP CZ2 1 1 7 3401 1 1 18 TRP CZ3 C -2.503 7.205 -2.922 1.00 . A A . 18 TRP CZ3 1 1 7 3402 1 1 18 TRP H H -3.162 5.894 2.361 1.00 . A A . 18 TRP H 1 1 7 3403 1 1 18 TRP HA H -1.776 6.952 0.942 1.00 . A A . 18 TRP HA 1 1 7 3404 1 1 18 TRP HB2 H -3.088 9.327 2.255 1.00 . A A . 18 TRP HB2 1 1 7 3405 1 1 18 TRP HB3 H -1.892 9.508 0.965 1.00 . A A . 18 TRP HB3 1 1 7 3406 1 1 18 TRP HD1 H -5.508 9.111 1.413 1.00 . A A . 18 TRP HD1 1 1 7 3407 1 1 18 TRP HE1 H -6.640 8.392 -0.780 1.00 . A A . 18 TRP HE1 1 1 7 3408 1 1 18 TRP HE3 H -1.370 7.754 -1.195 1.00 . A A . 18 TRP HE3 1 1 7 3409 1 1 18 TRP HH2 H -3.845 6.705 -4.503 1.00 . A A . 18 TRP HH2 1 1 7 3410 1 1 18 TRP HZ2 H -5.866 7.370 -3.289 1.00 . A A . 18 TRP HZ2 1 1 7 3411 1 1 18 TRP HZ3 H -1.634 6.909 -3.494 1.00 . A A . 18 TRP HZ3 1 1 7 3412 1 1 18 TRP N N -2.881 6.776 2.665 1.00 . A A . 18 TRP N 1 1 7 3413 1 1 18 TRP NE1 N -5.672 8.364 -0.629 1.00 . A A . 18 TRP NE1 1 1 7 3414 1 1 18 TRP O O 0.378 7.253 2.065 1.00 . A A . 18 TRP O 1 1 7 3415 1 1 19 GLY C C 1.197 7.310 4.730 1.00 . A A . 19 GLY C 1 1 7 3416 1 1 19 GLY CA C 0.601 8.653 4.353 1.00 . A A . 19 GLY CA 1 1 7 3417 1 1 19 GLY H H -1.479 8.830 3.994 1.00 . A A . 19 GLY H 1 1 7 3418 1 1 19 GLY HA2 H 1.295 9.182 3.707 1.00 . A A . 19 GLY HA2 1 1 7 3419 1 1 19 GLY HA3 H 0.422 9.231 5.245 1.00 . A A . 19 GLY HA3 1 1 7 3420 1 1 19 GLY N N -0.641 8.467 3.641 1.00 . A A . 19 GLY N 1 1 7 3421 1 1 19 GLY O O 2.416 7.155 4.795 1.00 . A A . 19 GLY O 1 1 7 3422 1 1 20 GLU C C 1.266 4.301 4.000 1.00 . A A . 20 GLU C 1 1 7 3423 1 1 20 GLU CA C 0.745 4.969 5.267 1.00 . A A . 20 GLU CA 1 1 7 3424 1 1 20 GLU CB C -0.415 4.163 5.874 1.00 . A A . 20 GLU CB 1 1 7 3425 1 1 20 GLU CD C -1.099 3.385 8.179 1.00 . A A . 20 GLU CD 1 1 7 3426 1 1 20 GLU CG C -0.749 4.571 7.302 1.00 . A A . 20 GLU CG 1 1 7 3427 1 1 20 GLU H H -0.639 6.509 4.847 1.00 . A A . 20 GLU H 1 1 7 3428 1 1 20 GLU HA H 1.550 5.036 5.986 1.00 . A A . 20 GLU HA 1 1 7 3429 1 1 20 GLU HB2 H -1.299 4.300 5.264 1.00 . A A . 20 GLU HB2 1 1 7 3430 1 1 20 GLU HB3 H -0.151 3.115 5.878 1.00 . A A . 20 GLU HB3 1 1 7 3431 1 1 20 GLU HG2 H 0.106 5.071 7.728 1.00 . A A . 20 GLU HG2 1 1 7 3432 1 1 20 GLU HG3 H -1.589 5.248 7.284 1.00 . A A . 20 GLU HG3 1 1 7 3433 1 1 20 GLU N N 0.319 6.324 4.942 1.00 . A A . 20 GLU N 1 1 7 3434 1 1 20 GLU O O 2.289 3.614 4.015 1.00 . A A . 20 GLU O 1 1 7 3435 1 1 20 GLU OE1 O -0.341 2.393 8.166 1.00 . A A . 20 GLU OE1 1 1 7 3436 1 1 20 GLU OE2 O -2.128 3.451 8.886 1.00 . A A . 20 GLU OE2 1 1 7 3437 1 1 21 ALA C C 2.222 4.699 1.114 1.00 . A A . 21 ALA C 1 1 7 3438 1 1 21 ALA CA C 0.962 4.008 1.596 1.00 . A A . 21 ALA CA 1 1 7 3439 1 1 21 ALA CB C -0.143 4.230 0.591 1.00 . A A . 21 ALA CB 1 1 7 3440 1 1 21 ALA H H -0.229 5.122 2.942 1.00 . A A . 21 ALA H 1 1 7 3441 1 1 21 ALA HA H 1.139 2.945 1.696 1.00 . A A . 21 ALA HA 1 1 7 3442 1 1 21 ALA HB1 H -0.073 3.492 -0.190 1.00 . A A . 21 ALA HB1 1 1 7 3443 1 1 21 ALA HB2 H -0.038 5.220 0.168 1.00 . A A . 21 ALA HB2 1 1 7 3444 1 1 21 ALA HB3 H -1.099 4.152 1.085 1.00 . A A . 21 ALA HB3 1 1 7 3445 1 1 21 ALA N N 0.566 4.547 2.890 1.00 . A A . 21 ALA N 1 1 7 3446 1 1 21 ALA O O 3.112 4.078 0.534 1.00 . A A . 21 ALA O 1 1 7 3447 1 1 22 PHE C C 4.677 6.199 1.689 1.00 . A A . 22 PHE C 1 1 7 3448 1 1 22 PHE CA C 3.453 6.786 1.024 1.00 . A A . 22 PHE CA 1 1 7 3449 1 1 22 PHE CB C 3.258 8.229 1.481 1.00 . A A . 22 PHE CB 1 1 7 3450 1 1 22 PHE CD1 C 5.574 9.171 1.661 1.00 . A A . 22 PHE CD1 1 1 7 3451 1 1 22 PHE CD2 C 4.142 9.997 -0.058 1.00 . A A . 22 PHE CD2 1 1 7 3452 1 1 22 PHE CE1 C 6.579 10.017 1.234 1.00 . A A . 22 PHE CE1 1 1 7 3453 1 1 22 PHE CE2 C 5.142 10.846 -0.488 1.00 . A A . 22 PHE CE2 1 1 7 3454 1 1 22 PHE CG C 4.346 9.151 1.020 1.00 . A A . 22 PHE CG 1 1 7 3455 1 1 22 PHE CZ C 6.363 10.855 0.158 1.00 . A A . 22 PHE CZ 1 1 7 3456 1 1 22 PHE H H 1.563 6.419 1.879 1.00 . A A . 22 PHE H 1 1 7 3457 1 1 22 PHE HA H 3.569 6.754 -0.052 1.00 . A A . 22 PHE HA 1 1 7 3458 1 1 22 PHE HB2 H 2.320 8.599 1.096 1.00 . A A . 22 PHE HB2 1 1 7 3459 1 1 22 PHE HB3 H 3.232 8.251 2.562 1.00 . A A . 22 PHE HB3 1 1 7 3460 1 1 22 PHE HD1 H 5.744 8.514 2.501 1.00 . A A . 22 PHE HD1 1 1 7 3461 1 1 22 PHE HD2 H 3.188 9.990 -0.563 1.00 . A A . 22 PHE HD2 1 1 7 3462 1 1 22 PHE HE1 H 7.532 10.022 1.742 1.00 . A A . 22 PHE HE1 1 1 7 3463 1 1 22 PHE HE2 H 4.971 11.501 -1.331 1.00 . A A . 22 PHE HE2 1 1 7 3464 1 1 22 PHE HZ H 7.148 11.519 -0.176 1.00 . A A . 22 PHE HZ 1 1 7 3465 1 1 22 PHE N N 2.298 5.992 1.393 1.00 . A A . 22 PHE N 1 1 7 3466 1 1 22 PHE O O 5.756 6.140 1.106 1.00 . A A . 22 PHE O 1 1 7 3467 1 1 23 SER C C 5.937 3.788 2.978 1.00 . A A . 23 SER C 1 1 7 3468 1 1 23 SER CA C 5.547 5.088 3.667 1.00 . A A . 23 SER CA 1 1 7 3469 1 1 23 SER CB C 5.105 4.816 5.107 1.00 . A A . 23 SER CB 1 1 7 3470 1 1 23 SER H H 3.573 5.779 3.298 1.00 . A A . 23 SER H 1 1 7 3471 1 1 23 SER HA H 6.400 5.755 3.673 1.00 . A A . 23 SER HA 1 1 7 3472 1 1 23 SER HB2 H 4.690 5.717 5.530 1.00 . A A . 23 SER HB2 1 1 7 3473 1 1 23 SER HB3 H 4.357 4.037 5.110 1.00 . A A . 23 SER HB3 1 1 7 3474 1 1 23 SER HG H 5.870 3.972 6.701 1.00 . A A . 23 SER HG 1 1 7 3475 1 1 23 SER N N 4.477 5.725 2.912 1.00 . A A . 23 SER N 1 1 7 3476 1 1 23 SER O O 7.093 3.369 3.012 1.00 . A A . 23 SER O 1 1 7 3477 1 1 23 SER OG O 6.198 4.400 5.907 1.00 . A A . 23 SER OG 1 1 7 3478 1 1 24 ALA C C 5.914 2.195 0.320 1.00 . A A . 24 ALA C 1 1 7 3479 1 1 24 ALA CA C 5.163 1.922 1.613 1.00 . A A . 24 ALA CA 1 1 7 3480 1 1 24 ALA CB C 3.828 1.261 1.313 1.00 . A A . 24 ALA CB 1 1 7 3481 1 1 24 ALA H H 4.054 3.565 2.342 1.00 . A A . 24 ALA H 1 1 7 3482 1 1 24 ALA HA H 5.745 1.259 2.235 1.00 . A A . 24 ALA HA 1 1 7 3483 1 1 24 ALA HB1 H 3.447 1.637 0.373 1.00 . A A . 24 ALA HB1 1 1 7 3484 1 1 24 ALA HB2 H 3.125 1.489 2.102 1.00 . A A . 24 ALA HB2 1 1 7 3485 1 1 24 ALA HB3 H 3.961 0.191 1.244 1.00 . A A . 24 ALA HB3 1 1 7 3486 1 1 24 ALA N N 4.950 3.167 2.336 1.00 . A A . 24 ALA N 1 1 7 3487 1 1 24 ALA O O 6.901 1.531 0.005 1.00 . A A . 24 ALA O 1 1 7 3488 1 1 25 GLY C C 7.511 4.009 -1.462 1.00 . A A . 25 GLY C 1 1 7 3489 1 1 25 GLY CA C 6.081 3.546 -1.670 1.00 . A A . 25 GLY CA 1 1 7 3490 1 1 25 GLY H H 4.648 3.682 -0.119 1.00 . A A . 25 GLY H 1 1 7 3491 1 1 25 GLY HA2 H 6.083 2.686 -2.325 1.00 . A A . 25 GLY HA2 1 1 7 3492 1 1 25 GLY HA3 H 5.521 4.341 -2.137 1.00 . A A . 25 GLY HA3 1 1 7 3493 1 1 25 GLY N N 5.440 3.187 -0.424 1.00 . A A . 25 GLY N 1 1 7 3494 1 1 25 GLY O O 8.376 3.764 -2.300 1.00 . A A . 25 GLY O 1 1 7 3495 1 1 26 VAL C C 10.049 4.019 0.269 1.00 . A A . 26 VAL C 1 1 7 3496 1 1 26 VAL CA C 9.097 5.171 -0.017 1.00 . A A . 26 VAL CA 1 1 7 3497 1 1 26 VAL CB C 9.086 6.119 1.203 1.00 . A A . 26 VAL CB 1 1 7 3498 1 1 26 VAL CG1 C 10.494 6.596 1.529 1.00 . A A . 26 VAL CG1 1 1 7 3499 1 1 26 VAL CG2 C 8.167 7.304 0.957 1.00 . A A . 26 VAL CG2 1 1 7 3500 1 1 26 VAL H H 7.027 4.840 0.296 1.00 . A A . 26 VAL H 1 1 7 3501 1 1 26 VAL HA H 9.467 5.721 -0.876 1.00 . A A . 26 VAL HA 1 1 7 3502 1 1 26 VAL HB H 8.710 5.571 2.056 1.00 . A A . 26 VAL HB 1 1 7 3503 1 1 26 VAL HG11 H 10.442 7.433 2.210 1.00 . A A . 26 VAL HG11 1 1 7 3504 1 1 26 VAL HG12 H 10.990 6.903 0.620 1.00 . A A . 26 VAL HG12 1 1 7 3505 1 1 26 VAL HG13 H 11.051 5.792 1.989 1.00 . A A . 26 VAL HG13 1 1 7 3506 1 1 26 VAL HG21 H 7.580 7.492 1.844 1.00 . A A . 26 VAL HG21 1 1 7 3507 1 1 26 VAL HG22 H 7.510 7.083 0.131 1.00 . A A . 26 VAL HG22 1 1 7 3508 1 1 26 VAL HG23 H 8.759 8.177 0.725 1.00 . A A . 26 VAL HG23 1 1 7 3509 1 1 26 VAL N N 7.759 4.678 -0.336 1.00 . A A . 26 VAL N 1 1 7 3510 1 1 26 VAL O O 11.216 4.066 -0.100 1.00 . A A . 26 VAL O 1 1 7 3511 1 1 27 HIS C C 10.886 1.194 -0.064 1.00 . A A . 27 HIS C 1 1 7 3512 1 1 27 HIS CA C 10.385 1.825 1.229 1.00 . A A . 27 HIS CA 1 1 7 3513 1 1 27 HIS CB C 9.602 0.802 2.055 1.00 . A A . 27 HIS CB 1 1 7 3514 1 1 27 HIS CD2 C 8.225 0.831 4.246 1.00 . A A . 27 HIS CD2 1 1 7 3515 1 1 27 HIS CE1 C 8.832 2.807 4.961 1.00 . A A . 27 HIS CE1 1 1 7 3516 1 1 27 HIS CG C 9.082 1.352 3.337 1.00 . A A . 27 HIS CG 1 1 7 3517 1 1 27 HIS H H 8.608 2.981 1.190 1.00 . A A . 27 HIS H 1 1 7 3518 1 1 27 HIS HA H 11.234 2.171 1.806 1.00 . A A . 27 HIS HA 1 1 7 3519 1 1 27 HIS HB2 H 8.761 0.450 1.481 1.00 . A A . 27 HIS HB2 1 1 7 3520 1 1 27 HIS HB3 H 10.247 -0.030 2.291 1.00 . A A . 27 HIS HB3 1 1 7 3521 1 1 27 HIS HD1 H 10.057 3.215 3.380 1.00 . A A . 27 HIS HD1 1 1 7 3522 1 1 27 HIS HD2 H 7.740 -0.135 4.191 1.00 . A A . 27 HIS HD2 1 1 7 3523 1 1 27 HIS HE1 H 8.919 3.698 5.553 1.00 . A A . 27 HIS HE1 1 1 7 3524 1 1 27 HIS HE2 H 7.446 1.703 5.987 1.00 . A A . 27 HIS HE2 1 1 7 3525 1 1 27 HIS N N 9.550 2.978 0.918 1.00 . A A . 27 HIS N 1 1 7 3526 1 1 27 HIS ND1 N 9.442 2.589 3.815 1.00 . A A . 27 HIS ND1 1 1 7 3527 1 1 27 HIS NE2 N 8.086 1.757 5.247 1.00 . A A . 27 HIS NE2 1 1 7 3528 1 1 27 HIS O O 12.050 0.812 -0.173 1.00 . A A . 27 HIS O 1 1 7 3529 1 1 28 ARG C C 11.183 1.506 -3.166 1.00 . A A . 28 ARG C 1 1 7 3530 1 1 28 ARG CA C 10.325 0.539 -2.348 1.00 . A A . 28 ARG CA 1 1 7 3531 1 1 28 ARG CB C 9.045 0.209 -3.120 1.00 . A A . 28 ARG CB 1 1 7 3532 1 1 28 ARG CD C 8.687 -2.208 -3.715 1.00 . A A . 28 ARG CD 1 1 7 3533 1 1 28 ARG CG C 8.400 -1.104 -2.708 1.00 . A A . 28 ARG CG 1 1 7 3534 1 1 28 ARG CZ C 10.683 -3.373 -4.570 1.00 . A A . 28 ARG CZ 1 1 7 3535 1 1 28 ARG H H 9.083 1.436 -0.891 1.00 . A A . 28 ARG H 1 1 7 3536 1 1 28 ARG HA H 10.882 -0.372 -2.184 1.00 . A A . 28 ARG HA 1 1 7 3537 1 1 28 ARG HB2 H 8.329 1.001 -2.958 1.00 . A A . 28 ARG HB2 1 1 7 3538 1 1 28 ARG HB3 H 9.277 0.158 -4.173 1.00 . A A . 28 ARG HB3 1 1 7 3539 1 1 28 ARG HD2 H 8.363 -3.150 -3.301 1.00 . A A . 28 ARG HD2 1 1 7 3540 1 1 28 ARG HD3 H 8.135 -2.003 -4.621 1.00 . A A . 28 ARG HD3 1 1 7 3541 1 1 28 ARG HE H 10.667 -1.513 -3.847 1.00 . A A . 28 ARG HE 1 1 7 3542 1 1 28 ARG HG2 H 8.789 -1.400 -1.746 1.00 . A A . 28 ARG HG2 1 1 7 3543 1 1 28 ARG HG3 H 7.331 -0.962 -2.639 1.00 . A A . 28 ARG HG3 1 1 7 3544 1 1 28 ARG HH11 H 8.980 -4.461 -4.652 1.00 . A A . 28 ARG HH11 1 1 7 3545 1 1 28 ARG HH12 H 10.398 -5.257 -5.244 1.00 . A A . 28 ARG HH12 1 1 7 3546 1 1 28 ARG HH21 H 12.532 -2.559 -4.626 1.00 . A A . 28 ARG HH21 1 1 7 3547 1 1 28 ARG HH22 H 12.415 -4.178 -5.229 1.00 . A A . 28 ARG HH22 1 1 7 3548 1 1 28 ARG N N 9.992 1.102 -1.044 1.00 . A A . 28 ARG N 1 1 7 3549 1 1 28 ARG NE N 10.110 -2.297 -4.038 1.00 . A A . 28 ARG NE 1 1 7 3550 1 1 28 ARG NH1 N 9.960 -4.452 -4.845 1.00 . A A . 28 ARG NH1 1 1 7 3551 1 1 28 ARG NH2 N 11.983 -3.369 -4.830 1.00 . A A . 28 ARG NH2 1 1 7 3552 1 1 28 ARG O O 12.153 1.105 -3.807 1.00 . A A . 28 ARG O 1 1 7 3553 1 1 29 LEU C C 12.868 4.137 -3.281 1.00 . A A . 29 LEU C 1 1 7 3554 1 1 29 LEU CA C 11.508 3.818 -3.896 1.00 . A A . 29 LEU CA 1 1 7 3555 1 1 29 LEU CB C 10.653 5.087 -3.960 1.00 . A A . 29 LEU CB 1 1 7 3556 1 1 29 LEU CD1 C 12.053 6.082 -5.790 1.00 . A A . 29 LEU CD1 1 1 7 3557 1 1 29 LEU CD2 C 10.410 7.508 -4.552 1.00 . A A . 29 LEU CD2 1 1 7 3558 1 1 29 LEU CG C 11.380 6.341 -4.450 1.00 . A A . 29 LEU CG 1 1 7 3559 1 1 29 LEU H H 10.015 3.035 -2.620 1.00 . A A . 29 LEU H 1 1 7 3560 1 1 29 LEU HA H 11.657 3.454 -4.896 1.00 . A A . 29 LEU HA 1 1 7 3561 1 1 29 LEU HB2 H 9.819 4.898 -4.620 1.00 . A A . 29 LEU HB2 1 1 7 3562 1 1 29 LEU HB3 H 10.268 5.284 -2.972 1.00 . A A . 29 LEU HB3 1 1 7 3563 1 1 29 LEU HD11 H 12.844 6.800 -5.940 1.00 . A A . 29 LEU HD11 1 1 7 3564 1 1 29 LEU HD12 H 11.326 6.176 -6.582 1.00 . A A . 29 LEU HD12 1 1 7 3565 1 1 29 LEU HD13 H 12.466 5.084 -5.798 1.00 . A A . 29 LEU HD13 1 1 7 3566 1 1 29 LEU HD21 H 9.577 7.230 -5.180 1.00 . A A . 29 LEU HD21 1 1 7 3567 1 1 29 LEU HD22 H 10.916 8.361 -4.978 1.00 . A A . 29 LEU HD22 1 1 7 3568 1 1 29 LEU HD23 H 10.048 7.760 -3.565 1.00 . A A . 29 LEU HD23 1 1 7 3569 1 1 29 LEU HG H 12.147 6.604 -3.737 1.00 . A A . 29 LEU HG 1 1 7 3570 1 1 29 LEU N N 10.801 2.783 -3.147 1.00 . A A . 29 LEU N 1 1 7 3571 1 1 29 LEU O O 13.874 4.247 -3.982 1.00 . A A . 29 LEU O 1 1 7 3572 1 1 30 ALA C C 15.048 3.458 -1.116 1.00 . A A . 30 ALA C 1 1 7 3573 1 1 30 ALA CA C 14.084 4.639 -1.230 1.00 . A A . 30 ALA CA 1 1 7 3574 1 1 30 ALA CB C 13.702 5.143 0.150 1.00 . A A . 30 ALA CB 1 1 7 3575 1 1 30 ALA H H 12.032 4.217 -1.484 1.00 . A A . 30 ALA H 1 1 7 3576 1 1 30 ALA HA H 14.579 5.443 -1.752 1.00 . A A . 30 ALA HA 1 1 7 3577 1 1 30 ALA HB1 H 13.621 4.307 0.829 1.00 . A A . 30 ALA HB1 1 1 7 3578 1 1 30 ALA HB2 H 12.750 5.653 0.093 1.00 . A A . 30 ALA HB2 1 1 7 3579 1 1 30 ALA HB3 H 14.457 5.828 0.507 1.00 . A A . 30 ALA HB3 1 1 7 3580 1 1 30 ALA N N 12.874 4.303 -1.970 1.00 . A A . 30 ALA N 1 1 7 3581 1 1 30 ALA O O 16.110 3.579 -0.505 1.00 . A A . 30 ALA O 1 1 7 3582 1 1 31 ASN C C 16.657 1.238 -2.691 1.00 . A A . 31 ASN C 1 1 7 3583 1 1 31 ASN CA C 15.544 1.141 -1.653 1.00 . A A . 31 ASN CA 1 1 7 3584 1 1 31 ASN CB C 14.726 -0.131 -1.885 1.00 . A A . 31 ASN CB 1 1 7 3585 1 1 31 ASN CG C 15.382 -1.355 -1.277 1.00 . A A . 31 ASN CG 1 1 7 3586 1 1 31 ASN H H 13.834 2.270 -2.177 1.00 . A A . 31 ASN H 1 1 7 3587 1 1 31 ASN HA H 15.988 1.097 -0.670 1.00 . A A . 31 ASN HA 1 1 7 3588 1 1 31 ASN HB2 H 13.749 -0.011 -1.441 1.00 . A A . 31 ASN HB2 1 1 7 3589 1 1 31 ASN HB3 H 14.617 -0.293 -2.948 1.00 . A A . 31 ASN HB3 1 1 7 3590 1 1 31 ASN HD21 H 14.742 -0.831 0.532 1.00 . A A . 31 ASN HD21 1 1 7 3591 1 1 31 ASN HD22 H 15.664 -2.291 0.456 1.00 . A A . 31 ASN HD22 1 1 7 3592 1 1 31 ASN N N 14.686 2.320 -1.702 1.00 . A A . 31 ASN N 1 1 7 3593 1 1 31 ASN ND2 N 15.249 -1.508 0.036 1.00 . A A . 31 ASN ND2 1 1 7 3594 1 1 31 ASN O O 17.733 0.665 -2.517 1.00 . A A . 31 ASN O 1 1 7 3595 1 1 31 ASN OD1 O 16.003 -2.155 -1.978 1.00 . A A . 31 ASN OD1 1 1 7 3596 1 1 32 GLY C C 16.937 3.103 -5.892 1.00 . A A . 32 GLY C 1 1 7 3597 1 1 32 GLY CA C 17.377 2.120 -4.824 1.00 . A A . 32 GLY CA 1 1 7 3598 1 1 32 GLY H H 15.514 2.394 -3.858 1.00 . A A . 32 GLY H 1 1 7 3599 1 1 32 GLY HA2 H 18.301 2.470 -4.386 1.00 . A A . 32 GLY HA2 1 1 7 3600 1 1 32 GLY HA3 H 17.551 1.158 -5.285 1.00 . A A . 32 GLY HA3 1 1 7 3601 1 1 32 GLY N N 16.389 1.963 -3.773 1.00 . A A . 32 GLY N 1 1 7 3602 1 1 32 GLY O O 17.172 4.304 -5.772 1.00 . A A . 32 GLY O 1 1 7 3603 1 1 33 GLY C C 15.125 2.669 -9.110 1.00 . A A . 33 GLY C 1 1 7 3604 1 1 33 GLY CA C 15.833 3.447 -8.018 1.00 . A A . 33 GLY CA 1 1 7 3605 1 1 33 GLY H H 16.139 1.625 -6.981 1.00 . A A . 33 GLY H 1 1 7 3606 1 1 33 GLY HA2 H 15.148 4.181 -7.613 1.00 . A A . 33 GLY HA2 1 1 7 3607 1 1 33 GLY HA3 H 16.681 3.959 -8.447 1.00 . A A . 33 GLY HA3 1 1 7 3608 1 1 33 GLY N N 16.298 2.591 -6.939 1.00 . A A . 33 GLY N 1 1 7 3609 1 1 33 GLY O O 15.689 2.432 -10.178 1.00 . A A . 33 GLY O 1 1 7 3610 1 1 34 ASN C C 11.608 1.748 -9.607 1.00 . A A . 34 ASN C 1 1 7 3611 1 1 34 ASN CA C 13.102 1.508 -9.809 1.00 . A A . 34 ASN CA 1 1 7 3612 1 1 34 ASN CB C 13.415 0.015 -9.684 1.00 . A A . 34 ASN CB 1 1 7 3613 1 1 34 ASN CG C 12.699 -0.815 -10.730 1.00 . A A . 34 ASN CG 1 1 7 3614 1 1 34 ASN H H 13.492 2.485 -7.973 1.00 . A A . 34 ASN H 1 1 7 3615 1 1 34 ASN HA H 13.377 1.844 -10.799 1.00 . A A . 34 ASN HA 1 1 7 3616 1 1 34 ASN HB2 H 14.479 -0.135 -9.797 1.00 . A A . 34 ASN HB2 1 1 7 3617 1 1 34 ASN HB3 H 13.110 -0.328 -8.706 1.00 . A A . 34 ASN HB3 1 1 7 3618 1 1 34 ASN HD21 H 13.623 0.174 -12.185 1.00 . A A . 34 ASN HD21 1 1 7 3619 1 1 34 ASN HD22 H 12.529 -1.062 -12.696 1.00 . A A . 34 ASN HD22 1 1 7 3620 1 1 34 ASN N N 13.887 2.267 -8.842 1.00 . A A . 34 ASN N 1 1 7 3621 1 1 34 ASN ND2 N 12.978 -0.540 -11.998 1.00 . A A . 34 ASN ND2 1 1 7 3622 1 1 34 ASN O O 10.814 0.808 -9.595 1.00 . A A . 34 ASN O 1 1 7 3623 1 1 34 ASN OD1 O 11.901 -1.695 -10.403 1.00 . A A . 34 ASN OD1 1 1 7 3624 1 1 35 GLY C C 9.475 4.709 -9.831 1.00 . A A . 35 GLY C 1 1 7 3625 1 1 35 GLY CA C 9.833 3.353 -9.251 1.00 . A A . 35 GLY CA 1 1 7 3626 1 1 35 GLY H H 11.909 3.721 -9.466 1.00 . A A . 35 GLY H 1 1 7 3627 1 1 35 GLY HA2 H 9.219 2.599 -9.727 1.00 . A A . 35 GLY HA2 1 1 7 3628 1 1 35 GLY HA3 H 9.621 3.359 -8.194 1.00 . A A . 35 GLY HA3 1 1 7 3629 1 1 35 GLY N N 11.233 3.013 -9.448 1.00 . A A . 35 GLY N 1 1 7 3630 1 1 35 GLY O O 8.482 5.318 -9.431 1.00 . A A . 35 GLY O 1 1 7 3631 1 1 36 PHE C C 8.954 6.367 -12.475 1.00 . A A . 36 PHE C 1 1 7 3632 1 1 36 PHE CA C 10.041 6.477 -11.410 1.00 . A A . 36 PHE CA 1 1 7 3633 1 1 36 PHE CB C 11.331 7.013 -12.037 1.00 . A A . 36 PHE CB 1 1 7 3634 1 1 36 PHE CD1 C 12.943 7.533 -10.188 1.00 . A A . 36 PHE CD1 1 1 7 3635 1 1 36 PHE CD2 C 11.858 9.350 -11.288 1.00 . A A . 36 PHE CD2 1 1 7 3636 1 1 36 PHE CE1 C 13.609 8.423 -9.369 1.00 . A A . 36 PHE CE1 1 1 7 3637 1 1 36 PHE CE2 C 12.523 10.245 -10.472 1.00 . A A . 36 PHE CE2 1 1 7 3638 1 1 36 PHE CG C 12.061 7.985 -11.156 1.00 . A A . 36 PHE CG 1 1 7 3639 1 1 36 PHE CZ C 13.400 9.780 -9.510 1.00 . A A . 36 PHE CZ 1 1 7 3640 1 1 36 PHE H H 11.056 4.652 -11.056 1.00 . A A . 36 PHE H 1 1 7 3641 1 1 36 PHE HA H 9.710 7.166 -10.644 1.00 . A A . 36 PHE HA 1 1 7 3642 1 1 36 PHE HB2 H 11.996 6.187 -12.242 1.00 . A A . 36 PHE HB2 1 1 7 3643 1 1 36 PHE HB3 H 11.094 7.516 -12.964 1.00 . A A . 36 PHE HB3 1 1 7 3644 1 1 36 PHE HD1 H 13.110 6.471 -10.079 1.00 . A A . 36 PHE HD1 1 1 7 3645 1 1 36 PHE HD2 H 11.173 9.714 -12.039 1.00 . A A . 36 PHE HD2 1 1 7 3646 1 1 36 PHE HE1 H 14.295 8.056 -8.618 1.00 . A A . 36 PHE HE1 1 1 7 3647 1 1 36 PHE HE2 H 12.356 11.306 -10.583 1.00 . A A . 36 PHE HE2 1 1 7 3648 1 1 36 PHE HZ H 13.919 10.477 -8.869 1.00 . A A . 36 PHE HZ 1 1 7 3649 1 1 36 PHE N N 10.281 5.184 -10.777 1.00 . A A . 36 PHE N 1 1 7 3650 1 1 36 PHE O O 8.479 5.273 -12.780 1.00 . A A . 36 PHE O 1 1 7 3651 1 1 37 TRP C C 6.318 6.746 -13.681 1.00 . A A . 37 TRP C 1 1 7 3652 1 1 37 TRP CA C 7.553 7.543 -14.092 1.00 . A A . 37 TRP CA 1 1 7 3653 1 1 37 TRP CB C 8.116 6.992 -15.406 1.00 . A A . 37 TRP CB 1 1 7 3654 1 1 37 TRP CD1 C 6.754 8.566 -16.904 1.00 . A A . 37 TRP CD1 1 1 7 3655 1 1 37 TRP CD2 C 6.904 6.468 -17.669 1.00 . A A . 37 TRP CD2 1 1 7 3656 1 1 37 TRP CE2 C 6.136 7.222 -18.575 1.00 . A A . 37 TRP CE2 1 1 7 3657 1 1 37 TRP CE3 C 7.134 5.116 -17.943 1.00 . A A . 37 TRP CE3 1 1 7 3658 1 1 37 TRP CG C 7.289 7.345 -16.605 1.00 . A A . 37 TRP CG 1 1 7 3659 1 1 37 TRP CH2 C 5.840 5.346 -19.978 1.00 . A A . 37 TRP CH2 1 1 7 3660 1 1 37 TRP CZ2 C 5.599 6.670 -19.736 1.00 . A A . 37 TRP CZ2 1 1 7 3661 1 1 37 TRP CZ3 C 6.599 4.570 -19.094 1.00 . A A . 37 TRP CZ3 1 1 7 3662 1 1 37 TRP H H 9.004 8.344 -12.771 1.00 . A A . 37 TRP H 1 1 7 3663 1 1 37 TRP HA H 7.267 8.575 -14.239 1.00 . A A . 37 TRP HA 1 1 7 3664 1 1 37 TRP HB2 H 9.108 7.388 -15.559 1.00 . A A . 37 TRP HB2 1 1 7 3665 1 1 37 TRP HB3 H 8.168 5.916 -15.342 1.00 . A A . 37 TRP HB3 1 1 7 3666 1 1 37 TRP HD1 H 6.868 9.446 -16.288 1.00 . A A . 37 TRP HD1 1 1 7 3667 1 1 37 TRP HE1 H 5.586 9.245 -18.511 1.00 . A A . 37 TRP HE1 1 1 7 3668 1 1 37 TRP HE3 H 7.716 4.502 -17.272 1.00 . A A . 37 TRP HE3 1 1 7 3669 1 1 37 TRP HH2 H 5.442 4.876 -20.866 1.00 . A A . 37 TRP HH2 1 1 7 3670 1 1 37 TRP HZ2 H 5.011 7.255 -20.428 1.00 . A A . 37 TRP HZ2 1 1 7 3671 1 1 37 TRP HZ3 H 6.766 3.527 -19.321 1.00 . A A . 37 TRP HZ3 1 1 7 3672 1 1 37 TRP N N 8.579 7.507 -13.050 1.00 . A A . 37 TRP N 1 1 7 3673 1 1 37 TRP NE1 N 6.059 8.499 -18.086 1.00 . A A . 37 TRP NE1 1 1 7 3674 1 1 37 TRP O O 5.552 6.338 -14.579 1.00 . A A . 37 TRP O 1 1 7 3675 1 1 37 TRP OXT O 6.128 6.537 -12.464 1.00 . A A . 37 TRP OXT 1 1 8 3676 1 1 1 LYS C C -6.532 -4.762 5.146 1.00 . A A . 1 LYS C 1 1 8 3677 1 1 1 LYS CA C -7.556 -5.500 6.004 1.00 . A A . 1 LYS CA 1 1 8 3678 1 1 1 LYS CB C -8.485 -6.353 5.123 1.00 . A A . 1 LYS CB 1 1 8 3679 1 1 1 LYS CD C -8.258 -8.170 3.387 1.00 . A A . 1 LYS CD 1 1 8 3680 1 1 1 LYS CE C -9.561 -8.218 2.608 1.00 . A A . 1 LYS CE 1 1 8 3681 1 1 1 LYS CG C -7.888 -6.746 3.775 1.00 . A A . 1 LYS CG 1 1 8 3682 1 1 1 LYS HA H -7.035 -6.145 6.697 1.00 . A A . 1 LYS HA 1 1 8 3683 1 1 1 LYS HB2 H -8.736 -7.257 5.657 1.00 . A A . 1 LYS HB2 1 1 8 3684 1 1 1 LYS HB3 H -9.392 -5.796 4.938 1.00 . A A . 1 LYS HB3 1 1 8 3685 1 1 1 LYS HD2 H -7.470 -8.584 2.774 1.00 . A A . 1 LYS HD2 1 1 8 3686 1 1 1 LYS HD3 H -8.364 -8.761 4.285 1.00 . A A . 1 LYS HD3 1 1 8 3687 1 1 1 LYS HE2 H -10.017 -7.239 2.626 1.00 . A A . 1 LYS HE2 1 1 8 3688 1 1 1 LYS HE3 H -9.345 -8.494 1.586 1.00 . A A . 1 LYS HE3 1 1 8 3689 1 1 1 LYS HG2 H -8.258 -6.070 3.020 1.00 . A A . 1 LYS HG2 1 1 8 3690 1 1 1 LYS HG3 H -6.813 -6.666 3.831 1.00 . A A . 1 LYS HG3 1 1 8 3691 1 1 1 LYS HZ1 H -11.491 -8.950 2.934 1.00 . A A . 1 LYS HZ1 1 1 8 3692 1 1 1 LYS HZ2 H -10.425 -9.227 4.219 1.00 . A A . 1 LYS HZ2 1 1 8 3693 1 1 1 LYS HZ3 H -10.310 -10.156 2.810 1.00 . A A . 1 LYS HZ3 1 1 8 3694 1 1 1 LYS N N -8.388 -4.545 6.785 1.00 . A A . 1 LYS N 1 1 8 3695 1 1 1 LYS NZ N -10.514 -9.206 3.183 1.00 . A A . 1 LYS NZ 1 1 8 3696 1 1 1 LYS O O -6.889 -4.148 4.144 1.00 . A A . 1 LYS O 1 1 8 3697 1 1 2 TYR C C -3.817 -4.961 3.564 1.00 . A A . 2 TYR C 1 1 8 3698 1 1 2 TYR CA C -4.199 -4.168 4.806 1.00 . A A . 2 TYR CA 1 1 8 3699 1 1 2 TYR CB C -2.971 -4.038 5.679 1.00 . A A . 2 TYR CB 1 1 8 3700 1 1 2 TYR CD1 C -2.760 -1.612 6.146 1.00 . A A . 2 TYR CD1 1 1 8 3701 1 1 2 TYR CD2 C -1.181 -2.595 4.678 1.00 . A A . 2 TYR CD2 1 1 8 3702 1 1 2 TYR CE1 C -2.146 -0.392 5.999 1.00 . A A . 2 TYR CE1 1 1 8 3703 1 1 2 TYR CE2 C -0.555 -1.385 4.528 1.00 . A A . 2 TYR CE2 1 1 8 3704 1 1 2 TYR CG C -2.287 -2.724 5.495 1.00 . A A . 2 TYR CG 1 1 8 3705 1 1 2 TYR CZ C -1.036 -0.284 5.190 1.00 . A A . 2 TYR CZ 1 1 8 3706 1 1 2 TYR H H -5.031 -5.313 6.352 1.00 . A A . 2 TYR H 1 1 8 3707 1 1 2 TYR HA H -4.532 -3.176 4.531 1.00 . A A . 2 TYR HA 1 1 8 3708 1 1 2 TYR HB2 H -3.260 -4.124 6.717 1.00 . A A . 2 TYR HB2 1 1 8 3709 1 1 2 TYR HB3 H -2.269 -4.821 5.433 1.00 . A A . 2 TYR HB3 1 1 8 3710 1 1 2 TYR HD1 H -3.640 -1.713 6.761 1.00 . A A . 2 TYR HD1 1 1 8 3711 1 1 2 TYR HD2 H -0.808 -3.457 4.156 1.00 . A A . 2 TYR HD2 1 1 8 3712 1 1 2 TYR HE1 H -2.531 0.464 6.518 1.00 . A A . 2 TYR HE1 1 1 8 3713 1 1 2 TYR HE2 H 0.293 -1.303 3.879 1.00 . A A . 2 TYR HE2 1 1 8 3714 1 1 2 TYR HH H 0.510 0.841 5.359 1.00 . A A . 2 TYR HH 1 1 8 3715 1 1 2 TYR N N -5.261 -4.826 5.541 1.00 . A A . 2 TYR N 1 1 8 3716 1 1 2 TYR O O -3.658 -6.180 3.617 1.00 . A A . 2 TYR O 1 1 8 3717 1 1 2 TYR OH O -0.396 0.923 5.051 1.00 . A A . 2 TYR OH 1 1 8 3718 1 1 3 TYR C C -1.810 -4.577 0.874 1.00 . A A . 3 TYR C 1 1 8 3719 1 1 3 TYR CA C -3.269 -4.880 1.196 1.00 . A A . 3 TYR CA 1 1 8 3720 1 1 3 TYR CB C -4.178 -4.380 0.072 1.00 . A A . 3 TYR CB 1 1 8 3721 1 1 3 TYR CD1 C -5.504 -6.351 -0.779 1.00 . A A . 3 TYR CD1 1 1 8 3722 1 1 3 TYR CD2 C -6.628 -4.736 0.566 1.00 . A A . 3 TYR CD2 1 1 8 3723 1 1 3 TYR CE1 C -6.674 -7.080 -0.886 1.00 . A A . 3 TYR CE1 1 1 8 3724 1 1 3 TYR CE2 C -7.799 -5.460 0.467 1.00 . A A . 3 TYR CE2 1 1 8 3725 1 1 3 TYR CG C -5.461 -5.168 -0.055 1.00 . A A . 3 TYR CG 1 1 8 3726 1 1 3 TYR CZ C -7.818 -6.630 -0.259 1.00 . A A . 3 TYR CZ 1 1 8 3727 1 1 3 TYR H H -3.773 -3.283 2.494 1.00 . A A . 3 TYR H 1 1 8 3728 1 1 3 TYR HA H -3.391 -5.953 1.298 1.00 . A A . 3 TYR HA 1 1 8 3729 1 1 3 TYR HB2 H -4.440 -3.352 0.268 1.00 . A A . 3 TYR HB2 1 1 8 3730 1 1 3 TYR HB3 H -3.652 -4.441 -0.870 1.00 . A A . 3 TYR HB3 1 1 8 3731 1 1 3 TYR HD1 H -4.607 -6.701 -1.267 1.00 . A A . 3 TYR HD1 1 1 8 3732 1 1 3 TYR HD2 H -6.610 -3.821 1.138 1.00 . A A . 3 TYR HD2 1 1 8 3733 1 1 3 TYR HE1 H -6.689 -7.998 -1.455 1.00 . A A . 3 TYR HE1 1 1 8 3734 1 1 3 TYR HE2 H -8.695 -5.106 0.956 1.00 . A A . 3 TYR HE2 1 1 8 3735 1 1 3 TYR HH H -9.244 -7.420 -1.278 1.00 . A A . 3 TYR HH 1 1 8 3736 1 1 3 TYR N N -3.650 -4.255 2.459 1.00 . A A . 3 TYR N 1 1 8 3737 1 1 3 TYR O O -1.462 -4.283 -0.270 1.00 . A A . 3 TYR O 1 1 8 3738 1 1 3 TYR OH O -8.983 -7.355 -0.357 1.00 . A A . 3 TYR OH 1 1 8 3739 1 1 4 GLY C C 0.725 -3.117 0.869 1.00 . A A . 4 GLY C 1 1 8 3740 1 1 4 GLY CA C 0.453 -4.340 1.732 1.00 . A A . 4 GLY CA 1 1 8 3741 1 1 4 GLY H H -1.308 -4.840 2.795 1.00 . A A . 4 GLY H 1 1 8 3742 1 1 4 GLY HA2 H 0.891 -4.179 2.705 1.00 . A A . 4 GLY HA2 1 1 8 3743 1 1 4 GLY HA3 H 0.926 -5.204 1.277 1.00 . A A . 4 GLY HA3 1 1 8 3744 1 1 4 GLY N N -0.964 -4.620 1.904 1.00 . A A . 4 GLY N 1 1 8 3745 1 1 4 GLY O O 1.818 -2.972 0.323 1.00 . A A . 4 GLY O 1 1 8 3746 1 1 5 ASN C C -0.957 0.103 0.524 1.00 . A A . 5 ASN C 1 1 8 3747 1 1 5 ASN CA C -0.127 -1.031 -0.063 1.00 . A A . 5 ASN CA 1 1 8 3748 1 1 5 ASN CB C -0.558 -1.299 -1.507 1.00 . A A . 5 ASN CB 1 1 8 3749 1 1 5 ASN CG C 0.606 -1.696 -2.391 1.00 . A A . 5 ASN CG 1 1 8 3750 1 1 5 ASN H H -1.117 -2.408 1.199 1.00 . A A . 5 ASN H 1 1 8 3751 1 1 5 ASN HA H 0.914 -0.740 -0.053 1.00 . A A . 5 ASN HA 1 1 8 3752 1 1 5 ASN HB2 H -1.282 -2.099 -1.518 1.00 . A A . 5 ASN HB2 1 1 8 3753 1 1 5 ASN HB3 H -1.008 -0.405 -1.915 1.00 . A A . 5 ASN HB3 1 1 8 3754 1 1 5 ASN HD21 H 0.278 -3.615 -1.995 1.00 . A A . 5 ASN HD21 1 1 8 3755 1 1 5 ASN HD22 H 1.597 -3.283 -3.059 1.00 . A A . 5 ASN HD22 1 1 8 3756 1 1 5 ASN N N -0.269 -2.241 0.740 1.00 . A A . 5 ASN N 1 1 8 3757 1 1 5 ASN ND2 N 0.853 -2.995 -2.492 1.00 . A A . 5 ASN ND2 1 1 8 3758 1 1 5 ASN O O -1.716 0.763 -0.188 1.00 . A A . 5 ASN O 1 1 8 3759 1 1 5 ASN OD1 O 1.275 -0.844 -2.978 1.00 . A A . 5 ASN OD1 1 1 8 3760 1 1 6 GLY C C -3.073 1.285 2.112 1.00 . A A . 6 GLY C 1 1 8 3761 1 1 6 GLY CA C -1.607 1.361 2.470 1.00 . A A . 6 GLY CA 1 1 8 3762 1 1 6 GLY H H -0.239 -0.255 2.361 1.00 . A A . 6 GLY H 1 1 8 3763 1 1 6 GLY HA2 H -1.506 1.275 3.534 1.00 . A A . 6 GLY HA2 1 1 8 3764 1 1 6 GLY HA3 H -1.223 2.317 2.159 1.00 . A A . 6 GLY HA3 1 1 8 3765 1 1 6 GLY N N -0.836 0.314 1.830 1.00 . A A . 6 GLY N 1 1 8 3766 1 1 6 GLY O O -3.772 2.293 2.111 1.00 . A A . 6 GLY O 1 1 8 3767 1 1 7 VAL C C -5.618 -1.056 2.414 1.00 . A A . 7 VAL C 1 1 8 3768 1 1 7 VAL CA C -4.937 -0.121 1.437 1.00 . A A . 7 VAL CA 1 1 8 3769 1 1 7 VAL CB C -5.117 -0.688 0.018 1.00 . A A . 7 VAL CB 1 1 8 3770 1 1 7 VAL CG1 C -6.533 -1.200 -0.146 1.00 . A A . 7 VAL CG1 1 1 8 3771 1 1 7 VAL CG2 C -4.834 0.370 -1.027 1.00 . A A . 7 VAL CG2 1 1 8 3772 1 1 7 VAL H H -2.920 -0.687 1.818 1.00 . A A . 7 VAL H 1 1 8 3773 1 1 7 VAL HA H -5.437 0.837 1.475 1.00 . A A . 7 VAL HA 1 1 8 3774 1 1 7 VAL HB H -4.431 -1.508 -0.123 1.00 . A A . 7 VAL HB 1 1 8 3775 1 1 7 VAL HG11 H -7.183 -0.625 0.498 1.00 . A A . 7 VAL HG11 1 1 8 3776 1 1 7 VAL HG12 H -6.576 -2.241 0.132 1.00 . A A . 7 VAL HG12 1 1 8 3777 1 1 7 VAL HG13 H -6.846 -1.083 -1.172 1.00 . A A . 7 VAL HG13 1 1 8 3778 1 1 7 VAL HG21 H -5.773 0.769 -1.385 1.00 . A A . 7 VAL HG21 1 1 8 3779 1 1 7 VAL HG22 H -4.292 -0.070 -1.848 1.00 . A A . 7 VAL HG22 1 1 8 3780 1 1 7 VAL HG23 H -4.248 1.161 -0.587 1.00 . A A . 7 VAL HG23 1 1 8 3781 1 1 7 VAL N N -3.535 0.082 1.799 1.00 . A A . 7 VAL N 1 1 8 3782 1 1 7 VAL O O -5.398 -2.267 2.385 1.00 . A A . 7 VAL O 1 1 8 3783 1 1 8 HIS C C -8.641 -1.365 3.885 1.00 . A A . 8 HIS C 1 1 8 3784 1 1 8 HIS CA C -7.170 -1.296 4.239 1.00 . A A . 8 HIS CA 1 1 8 3785 1 1 8 HIS CB C -7.006 -0.744 5.658 1.00 . A A . 8 HIS CB 1 1 8 3786 1 1 8 HIS CD2 C -4.816 0.525 5.105 1.00 . A A . 8 HIS CD2 1 1 8 3787 1 1 8 HIS CE1 C -5.021 2.144 6.566 1.00 . A A . 8 HIS CE1 1 1 8 3788 1 1 8 HIS CG C -5.973 0.326 5.781 1.00 . A A . 8 HIS CG 1 1 8 3789 1 1 8 HIS H H -6.601 0.473 3.242 1.00 . A A . 8 HIS H 1 1 8 3790 1 1 8 HIS HA H -6.757 -2.285 4.197 1.00 . A A . 8 HIS HA 1 1 8 3791 1 1 8 HIS HB2 H -7.949 -0.328 5.986 1.00 . A A . 8 HIS HB2 1 1 8 3792 1 1 8 HIS HB3 H -6.728 -1.551 6.320 1.00 . A A . 8 HIS HB3 1 1 8 3793 1 1 8 HIS HD1 H -6.801 1.489 7.323 1.00 . A A . 8 HIS HD1 1 1 8 3794 1 1 8 HIS HD2 H -4.425 -0.097 4.307 1.00 . A A . 8 HIS HD2 1 1 8 3795 1 1 8 HIS HE1 H -4.836 3.033 7.143 1.00 . A A . 8 HIS HE1 1 1 8 3796 1 1 8 HIS HE2 H -3.367 2.021 5.363 1.00 . A A . 8 HIS HE2 1 1 8 3797 1 1 8 HIS N N -6.456 -0.495 3.270 1.00 . A A . 8 HIS N 1 1 8 3798 1 1 8 HIS ND1 N -6.070 1.356 6.687 1.00 . A A . 8 HIS ND1 1 1 8 3799 1 1 8 HIS NE2 N -4.244 1.663 5.614 1.00 . A A . 8 HIS NE2 1 1 8 3800 1 1 8 HIS O O -9.197 -0.428 3.317 1.00 . A A . 8 HIS O 1 1 8 3801 1 1 9 CYS C C -11.464 -2.668 5.244 1.00 . A A . 9 CYS C 1 1 8 3802 1 1 9 CYS CA C -10.683 -2.626 3.950 1.00 . A A . 9 CYS CA 1 1 8 3803 1 1 9 CYS CB C -10.943 -3.854 3.091 1.00 . A A . 9 CYS CB 1 1 8 3804 1 1 9 CYS H H -8.788 -3.186 4.684 1.00 . A A . 9 CYS H 1 1 8 3805 1 1 9 CYS HA H -10.991 -1.757 3.411 1.00 . A A . 9 CYS HA 1 1 8 3806 1 1 9 CYS HB2 H -10.013 -4.154 2.631 1.00 . A A . 9 CYS HB2 1 1 8 3807 1 1 9 CYS HB3 H -11.315 -4.653 3.711 1.00 . A A . 9 CYS HB3 1 1 8 3808 1 1 9 CYS N N -9.275 -2.470 4.227 1.00 . A A . 9 CYS N 1 1 8 3809 1 1 9 CYS O O -12.073 -3.676 5.605 1.00 . A A . 9 CYS O 1 1 8 3810 1 1 9 CYS SG S -12.147 -3.567 1.756 1.00 . A A . 9 CYS SG 1 1 8 3811 1 1 10 THR C C -13.141 -0.263 7.097 1.00 . A A . 10 THR C 1 1 8 3812 1 1 10 THR CA C -12.113 -1.375 7.201 1.00 . A A . 10 THR CA 1 1 8 3813 1 1 10 THR CB C -11.107 -1.079 8.322 1.00 . A A . 10 THR CB 1 1 8 3814 1 1 10 THR CG2 C -10.062 -0.043 7.943 1.00 . A A . 10 THR CG2 1 1 8 3815 1 1 10 THR H H -10.920 -0.781 5.563 1.00 . A A . 10 THR H 1 1 8 3816 1 1 10 THR HA H -12.629 -2.294 7.420 1.00 . A A . 10 THR HA 1 1 8 3817 1 1 10 THR HB H -10.588 -1.994 8.569 1.00 . A A . 10 THR HB 1 1 8 3818 1 1 10 THR HG1 H -11.862 0.331 9.460 1.00 . A A . 10 THR HG1 1 1 8 3819 1 1 10 THR HG21 H -9.222 -0.111 8.620 1.00 . A A . 10 THR HG21 1 1 8 3820 1 1 10 THR HG22 H -10.494 0.945 8.005 1.00 . A A . 10 THR HG22 1 1 8 3821 1 1 10 THR HG23 H -9.724 -0.223 6.935 1.00 . A A . 10 THR HG23 1 1 8 3822 1 1 10 THR N N -11.426 -1.538 5.933 1.00 . A A . 10 THR N 1 1 8 3823 1 1 10 THR O O -13.221 0.416 6.075 1.00 . A A . 10 THR O 1 1 8 3824 1 1 10 THR OG1 O -11.770 -0.624 9.491 1.00 . A A . 10 THR OG1 1 1 8 3825 1 1 11 LYS C C -15.548 1.245 6.831 1.00 . A A . 11 LYS C 1 1 8 3826 1 1 11 LYS CA C -14.977 0.920 8.214 1.00 . A A . 11 LYS CA 1 1 8 3827 1 1 11 LYS CB C -14.437 2.193 8.867 1.00 . A A . 11 LYS CB 1 1 8 3828 1 1 11 LYS CD C -14.703 3.927 10.668 1.00 . A A . 11 LYS CD 1 1 8 3829 1 1 11 LYS CE C -13.983 3.510 11.941 1.00 . A A . 11 LYS CE 1 1 8 3830 1 1 11 LYS CG C -15.335 2.736 9.966 1.00 . A A . 11 LYS CG 1 1 8 3831 1 1 11 LYS H H -13.803 -0.688 8.930 1.00 . A A . 11 LYS H 1 1 8 3832 1 1 11 LYS HA H -15.773 0.530 8.830 1.00 . A A . 11 LYS HA 1 1 8 3833 1 1 11 LYS HB2 H -13.468 1.981 9.295 1.00 . A A . 11 LYS HB2 1 1 8 3834 1 1 11 LYS HB3 H -14.327 2.955 8.111 1.00 . A A . 11 LYS HB3 1 1 8 3835 1 1 11 LYS HD2 H -13.992 4.391 10.001 1.00 . A A . 11 LYS HD2 1 1 8 3836 1 1 11 LYS HD3 H -15.478 4.636 10.919 1.00 . A A . 11 LYS HD3 1 1 8 3837 1 1 11 LYS HE2 H -13.705 2.470 11.858 1.00 . A A . 11 LYS HE2 1 1 8 3838 1 1 11 LYS HE3 H -13.092 4.112 12.049 1.00 . A A . 11 LYS HE3 1 1 8 3839 1 1 11 LYS HG2 H -16.273 3.045 9.529 1.00 . A A . 11 LYS HG2 1 1 8 3840 1 1 11 LYS HG3 H -15.513 1.955 10.690 1.00 . A A . 11 LYS HG3 1 1 8 3841 1 1 11 LYS HZ1 H -15.827 3.463 12.922 1.00 . A A . 11 LYS HZ1 1 1 8 3842 1 1 11 LYS HZ2 H -14.785 4.673 13.480 1.00 . A A . 11 LYS HZ2 1 1 8 3843 1 1 11 LYS HZ3 H -14.514 3.059 13.910 1.00 . A A . 11 LYS HZ3 1 1 8 3844 1 1 11 LYS N N -13.927 -0.097 8.158 1.00 . A A . 11 LYS N 1 1 8 3845 1 1 11 LYS NZ N -14.837 3.689 13.148 1.00 . A A . 11 LYS NZ 1 1 8 3846 1 1 11 LYS O O -14.947 1.989 6.056 1.00 . A A . 11 LYS O 1 1 8 3847 1 1 12 SER C C -16.867 -0.033 4.167 1.00 . A A . 12 SER C 1 1 8 3848 1 1 12 SER CA C -17.411 0.883 5.265 1.00 . A A . 12 SER CA 1 1 8 3849 1 1 12 SER CB C -17.321 2.345 4.814 1.00 . A A . 12 SER CB 1 1 8 3850 1 1 12 SER H H -17.132 0.098 7.216 1.00 . A A . 12 SER H 1 1 8 3851 1 1 12 SER HA H -18.449 0.641 5.421 1.00 . A A . 12 SER HA 1 1 8 3852 1 1 12 SER HB2 H -16.829 2.927 5.576 1.00 . A A . 12 SER HB2 1 1 8 3853 1 1 12 SER HB3 H -16.759 2.399 3.898 1.00 . A A . 12 SER HB3 1 1 8 3854 1 1 12 SER HG H -18.716 3.091 3.657 1.00 . A A . 12 SER HG 1 1 8 3855 1 1 12 SER N N -16.719 0.680 6.545 1.00 . A A . 12 SER N 1 1 8 3856 1 1 12 SER O O -17.640 -0.657 3.439 1.00 . A A . 12 SER O 1 1 8 3857 1 1 12 SER OG O -18.611 2.889 4.590 1.00 . A A . 12 SER OG 1 1 8 3858 1 1 13 GLY C C -13.471 -0.777 2.850 1.00 . A A . 13 GLY C 1 1 8 3859 1 1 13 GLY CA C -14.964 -0.973 3.019 1.00 . A A . 13 GLY CA 1 1 8 3860 1 1 13 GLY H H -14.964 0.396 4.640 1.00 . A A . 13 GLY H 1 1 8 3861 1 1 13 GLY HA2 H -15.150 -2.003 3.284 1.00 . A A . 13 GLY HA2 1 1 8 3862 1 1 13 GLY HA3 H -15.449 -0.765 2.077 1.00 . A A . 13 GLY HA3 1 1 8 3863 1 1 13 GLY N N -15.544 -0.118 4.042 1.00 . A A . 13 GLY N 1 1 8 3864 1 1 13 GLY O O -12.730 -0.720 3.829 1.00 . A A . 13 GLY O 1 1 8 3865 1 1 14 CYS C C -11.276 0.972 1.177 1.00 . A A . 14 CYS C 1 1 8 3866 1 1 14 CYS CA C -11.619 -0.497 1.289 1.00 . A A . 14 CYS CA 1 1 8 3867 1 1 14 CYS CB C -11.238 -1.223 0.005 1.00 . A A . 14 CYS CB 1 1 8 3868 1 1 14 CYS H H -13.675 -0.742 0.861 1.00 . A A . 14 CYS H 1 1 8 3869 1 1 14 CYS HA H -11.040 -0.899 2.089 1.00 . A A . 14 CYS HA 1 1 8 3870 1 1 14 CYS HB2 H -12.010 -1.072 -0.726 1.00 . A A . 14 CYS HB2 1 1 8 3871 1 1 14 CYS HB3 H -10.315 -0.801 -0.358 1.00 . A A . 14 CYS HB3 1 1 8 3872 1 1 14 CYS N N -13.031 -0.684 1.598 1.00 . A A . 14 CYS N 1 1 8 3873 1 1 14 CYS O O -11.943 1.736 0.479 1.00 . A A . 14 CYS O 1 1 8 3874 1 1 14 CYS SG S -10.985 -3.025 0.180 1.00 . A A . 14 CYS SG 1 1 8 3875 1 1 15 SER C C -8.231 2.762 1.924 1.00 . A A . 15 SER C 1 1 8 3876 1 1 15 SER CA C -9.749 2.722 1.879 1.00 . A A . 15 SER CA 1 1 8 3877 1 1 15 SER CB C -10.322 3.479 3.078 1.00 . A A . 15 SER CB 1 1 8 3878 1 1 15 SER H H -9.736 0.670 2.402 1.00 . A A . 15 SER H 1 1 8 3879 1 1 15 SER HA H -10.083 3.194 0.968 1.00 . A A . 15 SER HA 1 1 8 3880 1 1 15 SER HB2 H -10.111 4.533 2.972 1.00 . A A . 15 SER HB2 1 1 8 3881 1 1 15 SER HB3 H -11.390 3.329 3.117 1.00 . A A . 15 SER HB3 1 1 8 3882 1 1 15 SER HG H -10.410 3.045 4.987 1.00 . A A . 15 SER HG 1 1 8 3883 1 1 15 SER N N -10.218 1.346 1.874 1.00 . A A . 15 SER N 1 1 8 3884 1 1 15 SER O O -7.580 1.725 2.047 1.00 . A A . 15 SER O 1 1 8 3885 1 1 15 SER OG O -9.750 3.019 4.291 1.00 . A A . 15 SER OG 1 1 8 3886 1 1 16 VAL C C -5.837 5.252 2.819 1.00 . A A . 16 VAL C 1 1 8 3887 1 1 16 VAL CA C -6.233 4.142 1.854 1.00 . A A . 16 VAL CA 1 1 8 3888 1 1 16 VAL CB C -5.666 4.497 0.463 1.00 . A A . 16 VAL CB 1 1 8 3889 1 1 16 VAL CG1 C -4.155 4.590 0.502 1.00 . A A . 16 VAL CG1 1 1 8 3890 1 1 16 VAL CG2 C -6.077 3.487 -0.571 1.00 . A A . 16 VAL CG2 1 1 8 3891 1 1 16 VAL H H -8.254 4.749 1.721 1.00 . A A . 16 VAL H 1 1 8 3892 1 1 16 VAL HA H -5.784 3.215 2.181 1.00 . A A . 16 VAL HA 1 1 8 3893 1 1 16 VAL HB H -6.064 5.458 0.175 1.00 . A A . 16 VAL HB 1 1 8 3894 1 1 16 VAL HG11 H -3.737 4.042 -0.329 1.00 . A A . 16 VAL HG11 1 1 8 3895 1 1 16 VAL HG12 H -3.795 4.168 1.425 1.00 . A A . 16 VAL HG12 1 1 8 3896 1 1 16 VAL HG13 H -3.862 5.619 0.435 1.00 . A A . 16 VAL HG13 1 1 8 3897 1 1 16 VAL HG21 H -6.164 2.519 -0.103 1.00 . A A . 16 VAL HG21 1 1 8 3898 1 1 16 VAL HG22 H -5.321 3.455 -1.347 1.00 . A A . 16 VAL HG22 1 1 8 3899 1 1 16 VAL HG23 H -7.024 3.777 -0.996 1.00 . A A . 16 VAL HG23 1 1 8 3900 1 1 16 VAL N N -7.678 3.963 1.821 1.00 . A A . 16 VAL N 1 1 8 3901 1 1 16 VAL O O -6.256 6.399 2.664 1.00 . A A . 16 VAL O 1 1 8 3902 1 1 17 ASN C C -3.564 6.853 4.063 1.00 . A A . 17 ASN C 1 1 8 3903 1 1 17 ASN CA C -4.537 5.901 4.754 1.00 . A A . 17 ASN CA 1 1 8 3904 1 1 17 ASN CB C -3.859 5.223 5.948 1.00 . A A . 17 ASN CB 1 1 8 3905 1 1 17 ASN CG C -4.629 5.429 7.236 1.00 . A A . 17 ASN CG 1 1 8 3906 1 1 17 ASN H H -4.687 3.989 3.862 1.00 . A A . 17 ASN H 1 1 8 3907 1 1 17 ASN HA H -5.389 6.465 5.101 1.00 . A A . 17 ASN HA 1 1 8 3908 1 1 17 ASN HB2 H -3.785 4.160 5.762 1.00 . A A . 17 ASN HB2 1 1 8 3909 1 1 17 ASN HB3 H -2.867 5.632 6.075 1.00 . A A . 17 ASN HB3 1 1 8 3910 1 1 17 ASN HD21 H -3.045 6.288 8.072 1.00 . A A . 17 ASN HD21 1 1 8 3911 1 1 17 ASN HD22 H -4.447 6.163 9.073 1.00 . A A . 17 ASN HD22 1 1 8 3912 1 1 17 ASN N N -5.008 4.913 3.799 1.00 . A A . 17 ASN N 1 1 8 3913 1 1 17 ASN ND2 N -3.976 6.021 8.227 1.00 . A A . 17 ASN ND2 1 1 8 3914 1 1 17 ASN O O -3.239 7.917 4.582 1.00 . A A . 17 ASN O 1 1 8 3915 1 1 17 ASN OD1 O -5.800 5.060 7.339 1.00 . A A . 17 ASN OD1 1 1 8 3916 1 1 18 TRP C C -0.866 7.426 2.789 1.00 . A A . 18 TRP C 1 1 8 3917 1 1 18 TRP CA C -2.186 7.232 2.072 1.00 . A A . 18 TRP CA 1 1 8 3918 1 1 18 TRP CB C -2.831 8.553 1.671 1.00 . A A . 18 TRP CB 1 1 8 3919 1 1 18 TRP CD1 C -5.210 8.510 0.720 1.00 . A A . 18 TRP CD1 1 1 8 3920 1 1 18 TRP CD2 C -3.628 7.843 -0.700 1.00 . A A . 18 TRP CD2 1 1 8 3921 1 1 18 TRP CE2 C -4.868 7.761 -1.344 1.00 . A A . 18 TRP CE2 1 1 8 3922 1 1 18 TRP CE3 C -2.482 7.466 -1.392 1.00 . A A . 18 TRP CE3 1 1 8 3923 1 1 18 TRP CG C -3.865 8.338 0.613 1.00 . A A . 18 TRP CG 1 1 8 3924 1 1 18 TRP CH2 C -3.860 6.955 -3.308 1.00 . A A . 18 TRP CH2 1 1 8 3925 1 1 18 TRP CZ2 C -4.997 7.321 -2.651 1.00 . A A . 18 TRP CZ2 1 1 8 3926 1 1 18 TRP CZ3 C -2.608 7.024 -2.692 1.00 . A A . 18 TRP CZ3 1 1 8 3927 1 1 18 TRP H H -3.422 5.595 2.524 1.00 . A A . 18 TRP H 1 1 8 3928 1 1 18 TRP HA H -1.982 6.665 1.173 1.00 . A A . 18 TRP HA 1 1 8 3929 1 1 18 TRP HB2 H -3.309 8.999 2.531 1.00 . A A . 18 TRP HB2 1 1 8 3930 1 1 18 TRP HB3 H -2.079 9.222 1.282 1.00 . A A . 18 TRP HB3 1 1 8 3931 1 1 18 TRP HD1 H -5.707 8.858 1.605 1.00 . A A . 18 TRP HD1 1 1 8 3932 1 1 18 TRP HE1 H -6.780 8.227 -0.638 1.00 . A A . 18 TRP HE1 1 1 8 3933 1 1 18 TRP HE3 H -1.509 7.503 -0.921 1.00 . A A . 18 TRP HE3 1 1 8 3934 1 1 18 TRP HH2 H -3.918 6.592 -4.320 1.00 . A A . 18 TRP HH2 1 1 8 3935 1 1 18 TRP HZ2 H -5.955 7.265 -3.143 1.00 . A A . 18 TRP HZ2 1 1 8 3936 1 1 18 TRP HZ3 H -1.732 6.723 -3.248 1.00 . A A . 18 TRP HZ3 1 1 8 3937 1 1 18 TRP N N -3.113 6.447 2.875 1.00 . A A . 18 TRP N 1 1 8 3938 1 1 18 TRP NE1 N -5.821 8.177 -0.459 1.00 . A A . 18 TRP NE1 1 1 8 3939 1 1 18 TRP O O 0.157 6.928 2.329 1.00 . A A . 18 TRP O 1 1 8 3940 1 1 19 GLY C C 0.988 6.924 4.956 1.00 . A A . 19 GLY C 1 1 8 3941 1 1 19 GLY CA C 0.362 8.272 4.652 1.00 . A A . 19 GLY CA 1 1 8 3942 1 1 19 GLY H H -1.714 8.467 4.278 1.00 . A A . 19 GLY H 1 1 8 3943 1 1 19 GLY HA2 H 1.049 8.850 4.045 1.00 . A A . 19 GLY HA2 1 1 8 3944 1 1 19 GLY HA3 H 0.171 8.792 5.576 1.00 . A A . 19 GLY HA3 1 1 8 3945 1 1 19 GLY N N -0.874 8.107 3.924 1.00 . A A . 19 GLY N 1 1 8 3946 1 1 19 GLY O O 2.209 6.800 5.038 1.00 . A A . 19 GLY O 1 1 8 3947 1 1 20 GLU C C 1.187 3.978 4.051 1.00 . A A . 20 GLU C 1 1 8 3948 1 1 20 GLU CA C 0.594 4.541 5.334 1.00 . A A . 20 GLU CA 1 1 8 3949 1 1 20 GLU CB C -0.566 3.657 5.815 1.00 . A A . 20 GLU CB 1 1 8 3950 1 1 20 GLU CD C 0.211 2.314 7.807 1.00 . A A . 20 GLU CD 1 1 8 3951 1 1 20 GLU CG C -0.616 3.489 7.326 1.00 . A A . 20 GLU CG 1 1 8 3952 1 1 20 GLU H H -0.825 6.071 4.978 1.00 . A A . 20 GLU H 1 1 8 3953 1 1 20 GLU HA H 1.361 4.577 6.096 1.00 . A A . 20 GLU HA 1 1 8 3954 1 1 20 GLU HB2 H -1.499 4.093 5.493 1.00 . A A . 20 GLU HB2 1 1 8 3955 1 1 20 GLU HB3 H -0.470 2.678 5.372 1.00 . A A . 20 GLU HB3 1 1 8 3956 1 1 20 GLU HG2 H -0.236 4.388 7.787 1.00 . A A . 20 GLU HG2 1 1 8 3957 1 1 20 GLU HG3 H -1.643 3.337 7.625 1.00 . A A . 20 GLU HG3 1 1 8 3958 1 1 20 GLU N N 0.135 5.904 5.083 1.00 . A A . 20 GLU N 1 1 8 3959 1 1 20 GLU O O 2.234 3.327 4.058 1.00 . A A . 20 GLU O 1 1 8 3960 1 1 20 GLU OE1 O 1.265 2.040 7.195 1.00 . A A . 20 GLU OE1 1 1 8 3961 1 1 20 GLU OE2 O -0.194 1.666 8.795 1.00 . A A . 20 GLU OE2 1 1 8 3962 1 1 21 ALA C C 2.201 4.594 1.220 1.00 . A A . 21 ALA C 1 1 8 3963 1 1 21 ALA CA C 0.958 3.826 1.628 1.00 . A A . 21 ALA CA 1 1 8 3964 1 1 21 ALA CB C -0.139 4.067 0.618 1.00 . A A . 21 ALA CB 1 1 8 3965 1 1 21 ALA H H -0.310 4.803 3.005 1.00 . A A . 21 ALA H 1 1 8 3966 1 1 21 ALA HA H 1.176 2.768 1.666 1.00 . A A . 21 ALA HA 1 1 8 3967 1 1 21 ALA HB1 H 0.068 3.504 -0.278 1.00 . A A . 21 ALA HB1 1 1 8 3968 1 1 21 ALA HB2 H -0.176 5.122 0.386 1.00 . A A . 21 ALA HB2 1 1 8 3969 1 1 21 ALA HB3 H -1.084 3.757 1.032 1.00 . A A . 21 ALA HB3 1 1 8 3970 1 1 21 ALA N N 0.511 4.265 2.941 1.00 . A A . 21 ALA N 1 1 8 3971 1 1 21 ALA O O 3.107 4.052 0.589 1.00 . A A . 21 ALA O 1 1 8 3972 1 1 22 PHE C C 4.618 6.096 1.939 1.00 . A A . 22 PHE C 1 1 8 3973 1 1 22 PHE CA C 3.379 6.719 1.331 1.00 . A A . 22 PHE CA 1 1 8 3974 1 1 22 PHE CB C 3.154 8.105 1.933 1.00 . A A . 22 PHE CB 1 1 8 3975 1 1 22 PHE CD1 C 5.466 9.037 2.237 1.00 . A A . 22 PHE CD1 1 1 8 3976 1 1 22 PHE CD2 C 4.037 10.054 0.621 1.00 . A A . 22 PHE CD2 1 1 8 3977 1 1 22 PHE CE1 C 6.469 9.933 1.918 1.00 . A A . 22 PHE CE1 1 1 8 3978 1 1 22 PHE CE2 C 5.037 10.952 0.298 1.00 . A A . 22 PHE CE2 1 1 8 3979 1 1 22 PHE CG C 4.240 9.087 1.592 1.00 . A A . 22 PHE CG 1 1 8 3980 1 1 22 PHE CZ C 6.254 10.892 0.948 1.00 . A A . 22 PHE CZ 1 1 8 3981 1 1 22 PHE H H 1.496 6.222 2.139 1.00 . A A . 22 PHE H 1 1 8 3982 1 1 22 PHE HA H 3.495 6.797 0.259 1.00 . A A . 22 PHE HA 1 1 8 3983 1 1 22 PHE HB2 H 2.219 8.501 1.570 1.00 . A A . 22 PHE HB2 1 1 8 3984 1 1 22 PHE HB3 H 3.108 8.013 3.009 1.00 . A A . 22 PHE HB3 1 1 8 3985 1 1 22 PHE HD1 H 5.635 8.288 2.995 1.00 . A A . 22 PHE HD1 1 1 8 3986 1 1 22 PHE HD2 H 3.085 10.104 0.113 1.00 . A A . 22 PHE HD2 1 1 8 3987 1 1 22 PHE HE1 H 7.421 9.883 2.427 1.00 . A A . 22 PHE HE1 1 1 8 3988 1 1 22 PHE HE2 H 4.866 11.703 -0.459 1.00 . A A . 22 PHE HE2 1 1 8 3989 1 1 22 PHE HZ H 7.036 11.593 0.697 1.00 . A A . 22 PHE HZ 1 1 8 3990 1 1 22 PHE N N 2.243 5.861 1.620 1.00 . A A . 22 PHE N 1 1 8 3991 1 1 22 PHE O O 5.702 6.127 1.360 1.00 . A A . 22 PHE O 1 1 8 3992 1 1 23 SER C C 5.924 3.596 3.002 1.00 . A A . 23 SER C 1 1 8 3993 1 1 23 SER CA C 5.501 4.819 3.802 1.00 . A A . 23 SER CA 1 1 8 3994 1 1 23 SER CB C 5.054 4.402 5.204 1.00 . A A . 23 SER CB 1 1 8 3995 1 1 23 SER H H 3.514 5.492 3.486 1.00 . A A . 23 SER H 1 1 8 3996 1 1 23 SER HA H 6.337 5.501 3.879 1.00 . A A . 23 SER HA 1 1 8 3997 1 1 23 SER HB2 H 4.430 5.176 5.626 1.00 . A A . 23 SER HB2 1 1 8 3998 1 1 23 SER HB3 H 4.493 3.481 5.142 1.00 . A A . 23 SER HB3 1 1 8 3999 1 1 23 SER HG H 5.942 3.557 6.731 1.00 . A A . 23 SER HG 1 1 8 4000 1 1 23 SER N N 4.422 5.498 3.103 1.00 . A A . 23 SER N 1 1 8 4001 1 1 23 SER O O 7.094 3.216 2.984 1.00 . A A . 23 SER O 1 1 8 4002 1 1 23 SER OG O 6.167 4.202 6.056 1.00 . A A . 23 SER OG 1 1 8 4003 1 1 24 ALA C C 5.922 2.207 0.233 1.00 . A A . 24 ALA C 1 1 8 4004 1 1 24 ALA CA C 5.188 1.816 1.508 1.00 . A A . 24 ALA CA 1 1 8 4005 1 1 24 ALA CB C 3.868 1.144 1.167 1.00 . A A . 24 ALA CB 1 1 8 4006 1 1 24 ALA H H 4.035 3.357 2.390 1.00 . A A . 24 ALA H 1 1 8 4007 1 1 24 ALA HA H 5.792 1.121 2.073 1.00 . A A . 24 ALA HA 1 1 8 4008 1 1 24 ALA HB1 H 3.426 1.642 0.316 1.00 . A A . 24 ALA HB1 1 1 8 4009 1 1 24 ALA HB2 H 3.199 1.215 2.012 1.00 . A A . 24 ALA HB2 1 1 8 4010 1 1 24 ALA HB3 H 4.041 0.106 0.929 1.00 . A A . 24 ALA HB3 1 1 8 4011 1 1 24 ALA N N 4.946 2.993 2.331 1.00 . A A . 24 ALA N 1 1 8 4012 1 1 24 ALA O O 6.895 1.565 -0.164 1.00 . A A . 24 ALA O 1 1 8 4013 1 1 25 GLY C C 7.465 4.272 -1.396 1.00 . A A . 25 GLY C 1 1 8 4014 1 1 25 GLY CA C 6.059 3.747 -1.624 1.00 . A A . 25 GLY CA 1 1 8 4015 1 1 25 GLY H H 4.664 3.737 -0.032 1.00 . A A . 25 GLY H 1 1 8 4016 1 1 25 GLY HA2 H 6.098 2.935 -2.336 1.00 . A A . 25 GLY HA2 1 1 8 4017 1 1 25 GLY HA3 H 5.453 4.542 -2.032 1.00 . A A . 25 GLY HA3 1 1 8 4018 1 1 25 GLY N N 5.444 3.271 -0.401 1.00 . A A . 25 GLY N 1 1 8 4019 1 1 25 GLY O O 8.325 4.160 -2.268 1.00 . A A . 25 GLY O 1 1 8 4020 1 1 26 VAL C C 10.024 4.242 0.266 1.00 . A A . 26 VAL C 1 1 8 4021 1 1 26 VAL CA C 9.020 5.373 0.119 1.00 . A A . 26 VAL CA 1 1 8 4022 1 1 26 VAL CB C 8.999 6.197 1.424 1.00 . A A . 26 VAL CB 1 1 8 4023 1 1 26 VAL CG1 C 10.407 6.636 1.796 1.00 . A A . 26 VAL CG1 1 1 8 4024 1 1 26 VAL CG2 C 8.082 7.402 1.291 1.00 . A A . 26 VAL CG2 1 1 8 4025 1 1 26 VAL H H 6.980 4.899 0.444 1.00 . A A . 26 VAL H 1 1 8 4026 1 1 26 VAL HA H 9.341 6.017 -0.694 1.00 . A A . 26 VAL HA 1 1 8 4027 1 1 26 VAL HB H 8.620 5.568 2.220 1.00 . A A . 26 VAL HB 1 1 8 4028 1 1 26 VAL HG11 H 10.356 7.458 2.494 1.00 . A A . 26 VAL HG11 1 1 8 4029 1 1 26 VAL HG12 H 10.929 6.951 0.905 1.00 . A A . 26 VAL HG12 1 1 8 4030 1 1 26 VAL HG13 H 10.934 5.809 2.249 1.00 . A A . 26 VAL HG13 1 1 8 4031 1 1 26 VAL HG21 H 7.427 7.264 0.444 1.00 . A A . 26 VAL HG21 1 1 8 4032 1 1 26 VAL HG22 H 8.676 8.292 1.147 1.00 . A A . 26 VAL HG22 1 1 8 4033 1 1 26 VAL HG23 H 7.493 7.504 2.189 1.00 . A A . 26 VAL HG23 1 1 8 4034 1 1 26 VAL N N 7.703 4.841 -0.216 1.00 . A A . 26 VAL N 1 1 8 4035 1 1 26 VAL O O 11.178 4.375 -0.122 1.00 . A A . 26 VAL O 1 1 8 4036 1 1 27 HIS C C 10.955 1.504 -0.378 1.00 . A A . 27 HIS C 1 1 8 4037 1 1 27 HIS CA C 10.463 1.977 0.985 1.00 . A A . 27 HIS CA 1 1 8 4038 1 1 27 HIS CB C 9.734 0.844 1.710 1.00 . A A . 27 HIS CB 1 1 8 4039 1 1 27 HIS CD2 C 8.679 0.487 4.048 1.00 . A A . 27 HIS CD2 1 1 8 4040 1 1 27 HIS CE1 C 8.974 2.511 4.824 1.00 . A A . 27 HIS CE1 1 1 8 4041 1 1 27 HIS CG C 9.287 1.214 3.082 1.00 . A A . 27 HIS CG 1 1 8 4042 1 1 27 HIS H H 8.645 3.058 1.104 1.00 . A A . 27 HIS H 1 1 8 4043 1 1 27 HIS HA H 11.312 2.292 1.578 1.00 . A A . 27 HIS HA 1 1 8 4044 1 1 27 HIS HB2 H 8.859 0.563 1.145 1.00 . A A . 27 HIS HB2 1 1 8 4045 1 1 27 HIS HB3 H 10.392 -0.005 1.796 1.00 . A A . 27 HIS HB3 1 1 8 4046 1 1 27 HIS HD1 H 9.870 3.233 3.138 1.00 . A A . 27 HIS HD1 1 1 8 4047 1 1 27 HIS HD2 H 8.392 -0.554 3.982 1.00 . A A . 27 HIS HD2 1 1 8 4048 1 1 27 HIS HE1 H 8.966 3.370 5.465 1.00 . A A . 27 HIS HE1 1 1 8 4049 1 1 27 HIS HE2 H 7.995 1.097 5.935 1.00 . A A . 27 HIS HE2 1 1 8 4050 1 1 27 HIS N N 9.581 3.121 0.815 1.00 . A A . 27 HIS N 1 1 8 4051 1 1 27 HIS ND1 N 9.457 2.475 3.602 1.00 . A A . 27 HIS ND1 1 1 8 4052 1 1 27 HIS NE2 N 8.495 1.318 5.122 1.00 . A A . 27 HIS NE2 1 1 8 4053 1 1 27 HIS O O 12.150 1.309 -0.587 1.00 . A A . 27 HIS O 1 1 8 4054 1 1 28 ARG C C 11.122 1.995 -3.417 1.00 . A A . 28 ARG C 1 1 8 4055 1 1 28 ARG CA C 10.354 0.910 -2.660 1.00 . A A . 28 ARG CA 1 1 8 4056 1 1 28 ARG CB C 9.074 0.565 -3.425 1.00 . A A . 28 ARG CB 1 1 8 4057 1 1 28 ARG CD C 8.630 -1.790 -4.178 1.00 . A A . 28 ARG CD 1 1 8 4058 1 1 28 ARG CG C 8.479 -0.783 -3.050 1.00 . A A . 28 ARG CG 1 1 8 4059 1 1 28 ARG CZ C 10.314 -2.360 -5.884 1.00 . A A . 28 ARG CZ 1 1 8 4060 1 1 28 ARG H H 9.087 1.529 -1.083 1.00 . A A . 28 ARG H 1 1 8 4061 1 1 28 ARG HA H 10.971 0.028 -2.587 1.00 . A A . 28 ARG HA 1 1 8 4062 1 1 28 ARG HB2 H 8.335 1.327 -3.224 1.00 . A A . 28 ARG HB2 1 1 8 4063 1 1 28 ARG HB3 H 9.292 0.557 -4.482 1.00 . A A . 28 ARG HB3 1 1 8 4064 1 1 28 ARG HD2 H 8.403 -2.774 -3.798 1.00 . A A . 28 ARG HD2 1 1 8 4065 1 1 28 ARG HD3 H 7.933 -1.537 -4.964 1.00 . A A . 28 ARG HD3 1 1 8 4066 1 1 28 ARG HE H 10.685 -1.350 -4.203 1.00 . A A . 28 ARG HE 1 1 8 4067 1 1 28 ARG HG2 H 8.985 -1.160 -2.173 1.00 . A A . 28 ARG HG2 1 1 8 4068 1 1 28 ARG HG3 H 7.429 -0.653 -2.832 1.00 . A A . 28 ARG HG3 1 1 8 4069 1 1 28 ARG HH11 H 8.443 -3.006 -6.303 1.00 . A A . 28 ARG HH11 1 1 8 4070 1 1 28 ARG HH12 H 9.645 -3.393 -7.487 1.00 . A A . 28 ARG HH12 1 1 8 4071 1 1 28 ARG HH21 H 12.267 -1.857 -5.760 1.00 . A A . 28 ARG HH21 1 1 8 4072 1 1 28 ARG HH22 H 11.817 -2.742 -7.179 1.00 . A A . 28 ARG HH22 1 1 8 4073 1 1 28 ARG N N 10.024 1.343 -1.308 1.00 . A A . 28 ARG N 1 1 8 4074 1 1 28 ARG NE N 9.983 -1.793 -4.726 1.00 . A A . 28 ARG NE 1 1 8 4075 1 1 28 ARG NH1 N 9.391 -2.969 -6.618 1.00 . A A . 28 ARG NH1 1 1 8 4076 1 1 28 ARG NH2 N 11.569 -2.316 -6.309 1.00 . A A . 28 ARG NH2 1 1 8 4077 1 1 28 ARG O O 12.077 1.705 -4.139 1.00 . A A . 28 ARG O 1 1 8 4078 1 1 29 LEU C C 12.684 4.696 -3.358 1.00 . A A . 29 LEU C 1 1 8 4079 1 1 29 LEU CA C 11.308 4.374 -3.932 1.00 . A A . 29 LEU CA 1 1 8 4080 1 1 29 LEU CB C 10.401 5.601 -3.829 1.00 . A A . 29 LEU CB 1 1 8 4081 1 1 29 LEU CD1 C 11.554 6.801 -5.705 1.00 . A A . 29 LEU CD1 1 1 8 4082 1 1 29 LEU CD2 C 10.026 8.051 -4.172 1.00 . A A . 29 LEU CD2 1 1 8 4083 1 1 29 LEU CG C 11.032 6.918 -4.281 1.00 . A A . 29 LEU CG 1 1 8 4084 1 1 29 LEU H H 9.918 3.403 -2.670 1.00 . A A . 29 LEU H 1 1 8 4085 1 1 29 LEU HA H 11.419 4.116 -4.968 1.00 . A A . 29 LEU HA 1 1 8 4086 1 1 29 LEU HB2 H 9.521 5.423 -4.430 1.00 . A A . 29 LEU HB2 1 1 8 4087 1 1 29 LEU HB3 H 10.095 5.710 -2.799 1.00 . A A . 29 LEU HB3 1 1 8 4088 1 1 29 LEU HD11 H 12.052 7.717 -5.984 1.00 . A A . 29 LEU HD11 1 1 8 4089 1 1 29 LEU HD12 H 10.727 6.622 -6.378 1.00 . A A . 29 LEU HD12 1 1 8 4090 1 1 29 LEU HD13 H 12.251 5.979 -5.766 1.00 . A A . 29 LEU HD13 1 1 8 4091 1 1 29 LEU HD21 H 9.082 7.734 -4.589 1.00 . A A . 29 LEU HD21 1 1 8 4092 1 1 29 LEU HD22 H 10.391 8.910 -4.714 1.00 . A A . 29 LEU HD22 1 1 8 4093 1 1 29 LEU HD23 H 9.892 8.310 -3.133 1.00 . A A . 29 LEU HD23 1 1 8 4094 1 1 29 LEU HG H 11.867 7.149 -3.635 1.00 . A A . 29 LEU HG 1 1 8 4095 1 1 29 LEU N N 10.686 3.240 -3.256 1.00 . A A . 29 LEU N 1 1 8 4096 1 1 29 LEU O O 13.637 4.953 -4.095 1.00 . A A . 29 LEU O 1 1 8 4097 1 1 30 ALA C C 15.040 3.920 -1.450 1.00 . A A . 30 ALA C 1 1 8 4098 1 1 30 ALA CA C 13.999 5.031 -1.338 1.00 . A A . 30 ALA CA 1 1 8 4099 1 1 30 ALA CB C 13.689 5.317 0.121 1.00 . A A . 30 ALA CB 1 1 8 4100 1 1 30 ALA H H 11.959 4.519 -1.521 1.00 . A A . 30 ALA H 1 1 8 4101 1 1 30 ALA HA H 14.403 5.931 -1.774 1.00 . A A . 30 ALA HA 1 1 8 4102 1 1 30 ALA HB1 H 12.791 5.915 0.183 1.00 . A A . 30 ALA HB1 1 1 8 4103 1 1 30 ALA HB2 H 14.513 5.855 0.567 1.00 . A A . 30 ALA HB2 1 1 8 4104 1 1 30 ALA HB3 H 13.537 4.385 0.645 1.00 . A A . 30 ALA HB3 1 1 8 4105 1 1 30 ALA N N 12.764 4.708 -2.040 1.00 . A A . 30 ALA N 1 1 8 4106 1 1 30 ALA O O 16.240 4.191 -1.472 1.00 . A A . 30 ALA O 1 1 8 4107 1 1 31 ASN C C 15.939 1.318 -3.055 1.00 . A A . 31 ASN C 1 1 8 4108 1 1 31 ASN CA C 15.504 1.544 -1.609 1.00 . A A . 31 ASN CA 1 1 8 4109 1 1 31 ASN CB C 14.866 0.272 -1.045 1.00 . A A . 31 ASN CB 1 1 8 4110 1 1 31 ASN CG C 15.897 -0.693 -0.490 1.00 . A A . 31 ASN CG 1 1 8 4111 1 1 31 ASN H H 13.621 2.508 -1.476 1.00 . A A . 31 ASN H 1 1 8 4112 1 1 31 ASN HA H 16.379 1.783 -1.022 1.00 . A A . 31 ASN HA 1 1 8 4113 1 1 31 ASN HB2 H 14.190 0.539 -0.246 1.00 . A A . 31 ASN HB2 1 1 8 4114 1 1 31 ASN HB3 H 14.316 -0.228 -1.828 1.00 . A A . 31 ASN HB3 1 1 8 4115 1 1 31 ASN HD21 H 14.583 -1.364 0.841 1.00 . A A . 31 ASN HD21 1 1 8 4116 1 1 31 ASN HD22 H 16.147 -2.093 0.898 1.00 . A A . 31 ASN HD22 1 1 8 4117 1 1 31 ASN N N 14.587 2.673 -1.508 1.00 . A A . 31 ASN N 1 1 8 4118 1 1 31 ASN ND2 N 15.502 -1.462 0.517 1.00 . A A . 31 ASN ND2 1 1 8 4119 1 1 31 ASN O O 16.991 0.732 -3.312 1.00 . A A . 31 ASN O 1 1 8 4120 1 1 31 ASN OD1 O 17.035 -0.744 -0.960 1.00 . A A . 31 ASN OD1 1 1 8 4121 1 1 32 GLY C C 14.886 2.746 -6.252 1.00 . A A . 32 GLY C 1 1 8 4122 1 1 32 GLY CA C 15.442 1.621 -5.402 1.00 . A A . 32 GLY CA 1 1 8 4123 1 1 32 GLY H H 14.295 2.239 -3.733 1.00 . A A . 32 GLY H 1 1 8 4124 1 1 32 GLY HA2 H 16.516 1.596 -5.515 1.00 . A A . 32 GLY HA2 1 1 8 4125 1 1 32 GLY HA3 H 15.031 0.685 -5.749 1.00 . A A . 32 GLY HA3 1 1 8 4126 1 1 32 GLY N N 15.122 1.783 -3.995 1.00 . A A . 32 GLY N 1 1 8 4127 1 1 32 GLY O O 15.338 3.887 -6.155 1.00 . A A . 32 GLY O 1 1 8 4128 1 1 33 GLY C C 14.235 3.894 -9.039 1.00 . A A . 33 GLY C 1 1 8 4129 1 1 33 GLY CA C 13.298 3.430 -7.941 1.00 . A A . 33 GLY CA 1 1 8 4130 1 1 33 GLY H H 13.580 1.500 -7.116 1.00 . A A . 33 GLY H 1 1 8 4131 1 1 33 GLY HA2 H 12.408 3.014 -8.392 1.00 . A A . 33 GLY HA2 1 1 8 4132 1 1 33 GLY HA3 H 13.018 4.281 -7.338 1.00 . A A . 33 GLY HA3 1 1 8 4133 1 1 33 GLY N N 13.901 2.425 -7.084 1.00 . A A . 33 GLY N 1 1 8 4134 1 1 33 GLY O O 13.985 3.652 -10.219 1.00 . A A . 33 GLY O 1 1 8 4135 1 1 34 ASN C C 17.687 5.105 -8.987 1.00 . A A . 34 ASN C 1 1 8 4136 1 1 34 ASN CA C 16.295 5.059 -9.608 1.00 . A A . 34 ASN CA 1 1 8 4137 1 1 34 ASN CB C 15.897 6.452 -10.101 1.00 . A A . 34 ASN CB 1 1 8 4138 1 1 34 ASN CG C 15.089 6.405 -11.383 1.00 . A A . 34 ASN CG 1 1 8 4139 1 1 34 ASN H H 15.460 4.722 -7.693 1.00 . A A . 34 ASN H 1 1 8 4140 1 1 34 ASN HA H 16.311 4.382 -10.448 1.00 . A A . 34 ASN HA 1 1 8 4141 1 1 34 ASN HB2 H 15.304 6.940 -9.342 1.00 . A A . 34 ASN HB2 1 1 8 4142 1 1 34 ASN HB3 H 16.790 7.033 -10.281 1.00 . A A . 34 ASN HB3 1 1 8 4143 1 1 34 ASN HD21 H 14.260 8.161 -10.954 1.00 . A A . 34 ASN HD21 1 1 8 4144 1 1 34 ASN HD22 H 13.753 7.434 -12.437 1.00 . A A . 34 ASN HD22 1 1 8 4145 1 1 34 ASN N N 15.316 4.560 -8.649 1.00 . A A . 34 ASN N 1 1 8 4146 1 1 34 ASN ND2 N 14.286 7.437 -11.614 1.00 . A A . 34 ASN ND2 1 1 8 4147 1 1 34 ASN O O 18.072 6.100 -8.373 1.00 . A A . 34 ASN O 1 1 8 4148 1 1 34 ASN OD1 O 15.185 5.453 -12.156 1.00 . A A . 34 ASN OD1 1 1 8 4149 1 1 35 GLY C C 20.694 5.020 -9.178 1.00 . A A . 35 GLY C 1 1 8 4150 1 1 35 GLY CA C 19.781 3.958 -8.598 1.00 . A A . 35 GLY CA 1 1 8 4151 1 1 35 GLY H H 18.081 3.257 -9.648 1.00 . A A . 35 GLY H 1 1 8 4152 1 1 35 GLY HA2 H 19.724 4.089 -7.527 1.00 . A A . 35 GLY HA2 1 1 8 4153 1 1 35 GLY HA3 H 20.201 2.984 -8.809 1.00 . A A . 35 GLY HA3 1 1 8 4154 1 1 35 GLY N N 18.439 4.021 -9.149 1.00 . A A . 35 GLY N 1 1 8 4155 1 1 35 GLY O O 20.233 6.082 -9.592 1.00 . A A . 35 GLY O 1 1 8 4156 1 1 36 PHE C C 24.274 4.940 -10.095 1.00 . A A . 36 PHE C 1 1 8 4157 1 1 36 PHE CA C 22.978 5.665 -9.745 1.00 . A A . 36 PHE CA 1 1 8 4158 1 1 36 PHE CB C 23.269 6.777 -8.730 1.00 . A A . 36 PHE CB 1 1 8 4159 1 1 36 PHE CD1 C 21.835 8.768 -9.252 1.00 . A A . 36 PHE CD1 1 1 8 4160 1 1 36 PHE CD2 C 21.239 7.396 -7.394 1.00 . A A . 36 PHE CD2 1 1 8 4161 1 1 36 PHE CE1 C 20.747 9.583 -9.002 1.00 . A A . 36 PHE CE1 1 1 8 4162 1 1 36 PHE CE2 C 20.150 8.206 -7.140 1.00 . A A . 36 PHE CE2 1 1 8 4163 1 1 36 PHE CG C 22.092 7.665 -8.452 1.00 . A A . 36 PHE CG 1 1 8 4164 1 1 36 PHE CZ C 19.904 9.302 -7.945 1.00 . A A . 36 PHE CZ 1 1 8 4165 1 1 36 PHE H H 22.296 3.864 -8.864 1.00 . A A . 36 PHE H 1 1 8 4166 1 1 36 PHE HA H 22.566 6.104 -10.645 1.00 . A A . 36 PHE HA 1 1 8 4167 1 1 36 PHE HB2 H 23.574 6.330 -7.796 1.00 . A A . 36 PHE HB2 1 1 8 4168 1 1 36 PHE HB3 H 24.073 7.395 -9.106 1.00 . A A . 36 PHE HB3 1 1 8 4169 1 1 36 PHE HD1 H 22.494 8.989 -10.078 1.00 . A A . 36 PHE HD1 1 1 8 4170 1 1 36 PHE HD2 H 21.431 6.540 -6.764 1.00 . A A . 36 PHE HD2 1 1 8 4171 1 1 36 PHE HE1 H 20.557 10.439 -9.632 1.00 . A A . 36 PHE HE1 1 1 8 4172 1 1 36 PHE HE2 H 19.492 7.986 -6.312 1.00 . A A . 36 PHE HE2 1 1 8 4173 1 1 36 PHE HZ H 19.053 9.938 -7.748 1.00 . A A . 36 PHE HZ 1 1 8 4174 1 1 36 PHE N N 21.992 4.729 -9.209 1.00 . A A . 36 PHE N 1 1 8 4175 1 1 36 PHE O O 24.587 3.897 -9.521 1.00 . A A . 36 PHE O 1 1 8 4176 1 1 37 TRP C C 27.388 5.175 -10.440 1.00 . A A . 37 TRP C 1 1 8 4177 1 1 37 TRP CA C 26.289 4.906 -11.464 1.00 . A A . 37 TRP CA 1 1 8 4178 1 1 37 TRP CB C 26.701 5.460 -12.831 1.00 . A A . 37 TRP CB 1 1 8 4179 1 1 37 TRP CD1 C 28.235 4.254 -14.492 1.00 . A A . 37 TRP CD1 1 1 8 4180 1 1 37 TRP CD2 C 26.220 3.309 -14.245 1.00 . A A . 37 TRP CD2 1 1 8 4181 1 1 37 TRP CE2 C 26.961 2.553 -15.175 1.00 . A A . 37 TRP CE2 1 1 8 4182 1 1 37 TRP CE3 C 24.921 2.901 -13.928 1.00 . A A . 37 TRP CE3 1 1 8 4183 1 1 37 TRP CG C 27.054 4.392 -13.819 1.00 . A A . 37 TRP CG 1 1 8 4184 1 1 37 TRP CH2 C 25.169 1.042 -15.464 1.00 . A A . 37 TRP CH2 1 1 8 4185 1 1 37 TRP CZ2 C 26.443 1.418 -15.792 1.00 . A A . 37 TRP CZ2 1 1 8 4186 1 1 37 TRP CZ3 C 24.408 1.774 -14.542 1.00 . A A . 37 TRP CZ3 1 1 8 4187 1 1 37 TRP H H 24.724 6.332 -11.458 1.00 . A A . 37 TRP H 1 1 8 4188 1 1 37 TRP HA H 26.144 3.837 -11.548 1.00 . A A . 37 TRP HA 1 1 8 4189 1 1 37 TRP HB2 H 25.882 6.033 -13.241 1.00 . A A . 37 TRP HB2 1 1 8 4190 1 1 37 TRP HB3 H 27.560 6.103 -12.710 1.00 . A A . 37 TRP HB3 1 1 8 4191 1 1 37 TRP HD1 H 29.076 4.923 -14.387 1.00 . A A . 37 TRP HD1 1 1 8 4192 1 1 37 TRP HE1 H 28.910 2.843 -15.892 1.00 . A A . 37 TRP HE1 1 1 8 4193 1 1 37 TRP HE3 H 24.320 3.452 -13.221 1.00 . A A . 37 TRP HE3 1 1 8 4194 1 1 37 TRP HH2 H 24.728 0.169 -15.919 1.00 . A A . 37 TRP HH2 1 1 8 4195 1 1 37 TRP HZ2 H 27.016 0.843 -16.505 1.00 . A A . 37 TRP HZ2 1 1 8 4196 1 1 37 TRP HZ3 H 23.406 1.445 -14.311 1.00 . A A . 37 TRP HZ3 1 1 8 4197 1 1 37 TRP N N 25.026 5.499 -11.039 1.00 . A A . 37 TRP N 1 1 8 4198 1 1 37 TRP NE1 N 28.186 3.151 -15.309 1.00 . A A . 37 TRP NE1 1 1 8 4199 1 1 37 TRP O O 28.572 4.959 -10.773 1.00 . A A . 37 TRP O 1 1 8 4200 1 1 37 TRP OXT O 27.055 5.596 -9.313 1.00 . A A . 37 TRP OXT 1 1 9 4201 1 1 1 LYS C C -6.548 -4.900 5.317 1.00 . A A . 1 LYS C 1 1 9 4202 1 1 1 LYS CA C -7.603 -5.713 6.058 1.00 . A A . 1 LYS CA 1 1 9 4203 1 1 1 LYS CB C -8.302 -6.661 5.074 1.00 . A A . 1 LYS CB 1 1 9 4204 1 1 1 LYS CD C -9.836 -6.918 3.097 1.00 . A A . 1 LYS CD 1 1 9 4205 1 1 1 LYS CE C -11.285 -6.971 3.561 1.00 . A A . 1 LYS CE 1 1 9 4206 1 1 1 LYS CG C -9.010 -5.949 3.932 1.00 . A A . 1 LYS CG 1 1 9 4207 1 1 1 LYS HA H -7.127 -6.293 6.834 1.00 . A A . 1 LYS HA 1 1 9 4208 1 1 1 LYS HB2 H -7.564 -7.323 4.649 1.00 . A A . 1 LYS HB2 1 1 9 4209 1 1 1 LYS HB3 H -9.032 -7.247 5.612 1.00 . A A . 1 LYS HB3 1 1 9 4210 1 1 1 LYS HD2 H -9.812 -6.598 2.065 1.00 . A A . 1 LYS HD2 1 1 9 4211 1 1 1 LYS HD3 H -9.404 -7.904 3.179 1.00 . A A . 1 LYS HD3 1 1 9 4212 1 1 1 LYS HE2 H -11.496 -7.965 3.926 1.00 . A A . 1 LYS HE2 1 1 9 4213 1 1 1 LYS HE3 H -11.420 -6.260 4.361 1.00 . A A . 1 LYS HE3 1 1 9 4214 1 1 1 LYS HG2 H -9.663 -5.194 4.341 1.00 . A A . 1 LYS HG2 1 1 9 4215 1 1 1 LYS HG3 H -8.271 -5.484 3.296 1.00 . A A . 1 LYS HG3 1 1 9 4216 1 1 1 LYS HZ1 H -11.729 -6.211 1.664 1.00 . A A . 1 LYS HZ1 1 1 9 4217 1 1 1 LYS HZ2 H -12.964 -5.988 2.797 1.00 . A A . 1 LYS HZ2 1 1 9 4218 1 1 1 LYS HZ3 H -12.702 -7.517 2.124 1.00 . A A . 1 LYS HZ3 1 1 9 4219 1 1 1 LYS N N -8.624 -4.829 6.680 1.00 . A A . 1 LYS N 1 1 9 4220 1 1 1 LYS NZ N -12.237 -6.649 2.460 1.00 . A A . 1 LYS NZ 1 1 9 4221 1 1 1 LYS O O -6.848 -4.269 4.308 1.00 . A A . 1 LYS O 1 1 9 4222 1 1 2 TYR C C -3.744 -4.957 3.952 1.00 . A A . 2 TYR C 1 1 9 4223 1 1 2 TYR CA C -4.252 -4.173 5.148 1.00 . A A . 2 TYR CA 1 1 9 4224 1 1 2 TYR CB C -3.099 -3.902 6.102 1.00 . A A . 2 TYR CB 1 1 9 4225 1 1 2 TYR CD1 C -3.394 -1.502 6.633 1.00 . A A . 2 TYR CD1 1 1 9 4226 1 1 2 TYR CD2 C -1.470 -2.116 5.392 1.00 . A A . 2 TYR CD2 1 1 9 4227 1 1 2 TYR CE1 C -3.005 -0.188 6.593 1.00 . A A . 2 TYR CE1 1 1 9 4228 1 1 2 TYR CE2 C -1.074 -0.807 5.347 1.00 . A A . 2 TYR CE2 1 1 9 4229 1 1 2 TYR CG C -2.637 -2.482 6.042 1.00 . A A . 2 TYR CG 1 1 9 4230 1 1 2 TYR CZ C -1.843 0.152 5.950 1.00 . A A . 2 TYR CZ 1 1 9 4231 1 1 2 TYR H H -5.111 -5.425 6.613 1.00 . A A . 2 TYR H 1 1 9 4232 1 1 2 TYR HA H -4.662 -3.226 4.819 1.00 . A A . 2 TYR HA 1 1 9 4233 1 1 2 TYR HB2 H -3.421 -4.099 7.111 1.00 . A A . 2 TYR HB2 1 1 9 4234 1 1 2 TYR HB3 H -2.265 -4.537 5.854 1.00 . A A . 2 TYR HB3 1 1 9 4235 1 1 2 TYR HD1 H -4.307 -1.784 7.123 1.00 . A A . 2 TYR HD1 1 1 9 4236 1 1 2 TYR HD2 H -0.864 -2.865 4.925 1.00 . A A . 2 TYR HD2 1 1 9 4237 1 1 2 TYR HE1 H -3.607 0.565 7.068 1.00 . A A . 2 TYR HE1 1 1 9 4238 1 1 2 TYR HE2 H -0.168 -0.539 4.829 1.00 . A A . 2 TYR HE2 1 1 9 4239 1 1 2 TYR HH H -0.667 1.546 6.474 1.00 . A A . 2 TYR HH 1 1 9 4240 1 1 2 TYR N N -5.311 -4.915 5.805 1.00 . A A . 2 TYR N 1 1 9 4241 1 1 2 TYR O O -3.606 -6.176 4.013 1.00 . A A . 2 TYR O 1 1 9 4242 1 1 2 TYR OH O -1.443 1.452 5.919 1.00 . A A . 2 TYR OH 1 1 9 4243 1 1 3 TYR C C -1.516 -4.590 1.409 1.00 . A A . 3 TYR C 1 1 9 4244 1 1 3 TYR CA C -2.986 -4.902 1.647 1.00 . A A . 3 TYR CA 1 1 9 4245 1 1 3 TYR CB C -3.823 -4.449 0.452 1.00 . A A . 3 TYR CB 1 1 9 4246 1 1 3 TYR CD1 C -5.030 -6.556 -0.236 1.00 . A A . 3 TYR CD1 1 1 9 4247 1 1 3 TYR CD2 C -6.332 -4.725 0.558 1.00 . A A . 3 TYR CD2 1 1 9 4248 1 1 3 TYR CE1 C -6.181 -7.300 -0.422 1.00 . A A . 3 TYR CE1 1 1 9 4249 1 1 3 TYR CE2 C -7.488 -5.461 0.373 1.00 . A A . 3 TYR CE2 1 1 9 4250 1 1 3 TYR CG C -5.085 -5.259 0.257 1.00 . A A . 3 TYR CG 1 1 9 4251 1 1 3 TYR CZ C -7.406 -6.747 -0.117 1.00 . A A . 3 TYR CZ 1 1 9 4252 1 1 3 TYR H H -3.597 -3.280 2.874 1.00 . A A . 3 TYR H 1 1 9 4253 1 1 3 TYR HA H -3.101 -5.973 1.766 1.00 . A A . 3 TYR HA 1 1 9 4254 1 1 3 TYR HB2 H -4.108 -3.417 0.595 1.00 . A A . 3 TYR HB2 1 1 9 4255 1 1 3 TYR HB3 H -3.233 -4.533 -0.449 1.00 . A A . 3 TYR HB3 1 1 9 4256 1 1 3 TYR HD1 H -4.069 -6.987 -0.470 1.00 . A A . 3 TYR HD1 1 1 9 4257 1 1 3 TYR HD2 H -6.392 -3.723 0.949 1.00 . A A . 3 TYR HD2 1 1 9 4258 1 1 3 TYR HE1 H -6.119 -8.308 -0.804 1.00 . A A . 3 TYR HE1 1 1 9 4259 1 1 3 TYR HE2 H -8.448 -5.030 0.611 1.00 . A A . 3 TYR HE2 1 1 9 4260 1 1 3 TYR HH H -9.125 -7.022 -0.922 1.00 . A A . 3 TYR HH 1 1 9 4261 1 1 3 TYR N N -3.470 -4.255 2.863 1.00 . A A . 3 TYR N 1 1 9 4262 1 1 3 TYR O O -1.085 -4.412 0.270 1.00 . A A . 3 TYR O 1 1 9 4263 1 1 3 TYR OH O -8.551 -7.482 -0.306 1.00 . A A . 3 TYR OH 1 1 9 4264 1 1 4 GLY C C 0.954 -3.043 1.442 1.00 . A A . 4 GLY C 1 1 9 4265 1 1 4 GLY CA C 0.668 -4.192 2.395 1.00 . A A . 4 GLY CA 1 1 9 4266 1 1 4 GLY H H -1.156 -4.630 3.380 1.00 . A A . 4 GLY H 1 1 9 4267 1 1 4 GLY HA2 H 1.038 -3.932 3.375 1.00 . A A . 4 GLY HA2 1 1 9 4268 1 1 4 GLY HA3 H 1.191 -5.077 2.047 1.00 . A A . 4 GLY HA3 1 1 9 4269 1 1 4 GLY N N -0.751 -4.498 2.498 1.00 . A A . 4 GLY N 1 1 9 4270 1 1 4 GLY O O 2.074 -2.898 0.949 1.00 . A A . 4 GLY O 1 1 9 4271 1 1 5 ASN C C -0.841 0.047 0.762 1.00 . A A . 5 ASN C 1 1 9 4272 1 1 5 ASN CA C 0.054 -1.088 0.285 1.00 . A A . 5 ASN CA 1 1 9 4273 1 1 5 ASN CB C -0.332 -1.489 -1.141 1.00 . A A . 5 ASN CB 1 1 9 4274 1 1 5 ASN CG C 0.751 -2.300 -1.824 1.00 . A A . 5 ASN CG 1 1 9 4275 1 1 5 ASN H H -0.931 -2.401 1.607 1.00 . A A . 5 ASN H 1 1 9 4276 1 1 5 ASN HA H 1.083 -0.755 0.297 1.00 . A A . 5 ASN HA 1 1 9 4277 1 1 5 ASN HB2 H -1.236 -2.081 -1.109 1.00 . A A . 5 ASN HB2 1 1 9 4278 1 1 5 ASN HB3 H -0.513 -0.597 -1.723 1.00 . A A . 5 ASN HB3 1 1 9 4279 1 1 5 ASN HD21 H -0.137 -3.993 -1.284 1.00 . A A . 5 ASN HD21 1 1 9 4280 1 1 5 ASN HD22 H 1.320 -4.168 -2.195 1.00 . A A . 5 ASN HD22 1 1 9 4281 1 1 5 ASN N N -0.068 -2.230 1.181 1.00 . A A . 5 ASN N 1 1 9 4282 1 1 5 ASN ND2 N 0.632 -3.620 -1.762 1.00 . A A . 5 ASN ND2 1 1 9 4283 1 1 5 ASN O O -1.575 0.645 -0.027 1.00 . A A . 5 ASN O 1 1 9 4284 1 1 5 ASN OD1 O 1.685 -1.744 -2.403 1.00 . A A . 5 ASN OD1 1 1 9 4285 1 1 6 GLY C C -3.052 1.312 2.108 1.00 . A A . 6 GLY C 1 1 9 4286 1 1 6 GLY CA C -1.627 1.371 2.625 1.00 . A A . 6 GLY CA 1 1 9 4287 1 1 6 GLY H H -0.206 -0.197 2.644 1.00 . A A . 6 GLY H 1 1 9 4288 1 1 6 GLY HA2 H -1.637 1.268 3.699 1.00 . A A . 6 GLY HA2 1 1 9 4289 1 1 6 GLY HA3 H -1.204 2.328 2.371 1.00 . A A . 6 GLY HA3 1 1 9 4290 1 1 6 GLY N N -0.795 0.324 2.061 1.00 . A A . 6 GLY N 1 1 9 4291 1 1 6 GLY O O -3.587 2.308 1.634 1.00 . A A . 6 GLY O 1 1 9 4292 1 1 7 VAL C C -5.756 -1.061 2.622 1.00 . A A . 7 VAL C 1 1 9 4293 1 1 7 VAL CA C -5.033 -0.064 1.734 1.00 . A A . 7 VAL CA 1 1 9 4294 1 1 7 VAL CB C -5.106 -0.563 0.279 1.00 . A A . 7 VAL CB 1 1 9 4295 1 1 7 VAL CG1 C -6.502 -1.054 -0.020 1.00 . A A . 7 VAL CG1 1 1 9 4296 1 1 7 VAL CG2 C -4.749 0.540 -0.692 1.00 . A A . 7 VAL CG2 1 1 9 4297 1 1 7 VAL H H -3.173 -0.627 2.578 1.00 . A A . 7 VAL H 1 1 9 4298 1 1 7 VAL HA H -5.551 0.882 1.784 1.00 . A A . 7 VAL HA 1 1 9 4299 1 1 7 VAL HB H -4.412 -1.381 0.151 1.00 . A A . 7 VAL HB 1 1 9 4300 1 1 7 VAL HG11 H -6.667 -1.995 0.474 1.00 . A A . 7 VAL HG11 1 1 9 4301 1 1 7 VAL HG12 H -6.621 -1.173 -1.087 1.00 . A A . 7 VAL HG12 1 1 9 4302 1 1 7 VAL HG13 H -7.206 -0.322 0.348 1.00 . A A . 7 VAL HG13 1 1 9 4303 1 1 7 VAL HG21 H -5.655 0.891 -1.172 1.00 . A A . 7 VAL HG21 1 1 9 4304 1 1 7 VAL HG22 H -4.068 0.160 -1.436 1.00 . A A . 7 VAL HG22 1 1 9 4305 1 1 7 VAL HG23 H -4.290 1.352 -0.157 1.00 . A A . 7 VAL HG23 1 1 9 4306 1 1 7 VAL N N -3.660 0.133 2.194 1.00 . A A . 7 VAL N 1 1 9 4307 1 1 7 VAL O O -5.471 -2.257 2.593 1.00 . A A . 7 VAL O 1 1 9 4308 1 1 8 HIS C C -8.951 -1.261 3.999 1.00 . A A . 8 HIS C 1 1 9 4309 1 1 8 HIS CA C -7.473 -1.400 4.291 1.00 . A A . 8 HIS CA 1 1 9 4310 1 1 8 HIS CB C -7.201 -1.055 5.761 1.00 . A A . 8 HIS CB 1 1 9 4311 1 1 8 HIS CD2 C -5.337 0.687 5.408 1.00 . A A . 8 HIS CD2 1 1 9 4312 1 1 8 HIS CE1 C -6.096 2.256 6.735 1.00 . A A . 8 HIS CE1 1 1 9 4313 1 1 8 HIS CG C -6.487 0.240 5.948 1.00 . A A . 8 HIS CG 1 1 9 4314 1 1 8 HIS H H -6.884 0.404 3.371 1.00 . A A . 8 HIS H 1 1 9 4315 1 1 8 HIS HA H -7.182 -2.419 4.110 1.00 . A A . 8 HIS HA 1 1 9 4316 1 1 8 HIS HB2 H -8.140 -0.993 6.291 1.00 . A A . 8 HIS HB2 1 1 9 4317 1 1 8 HIS HB3 H -6.598 -1.835 6.201 1.00 . A A . 8 HIS HB3 1 1 9 4318 1 1 8 HIS HD1 H -7.759 1.217 7.313 1.00 . A A . 8 HIS HD1 1 1 9 4319 1 1 8 HIS HD2 H -4.697 0.140 4.722 1.00 . A A . 8 HIS HD2 1 1 9 4320 1 1 8 HIS HE1 H -6.194 3.182 7.281 1.00 . A A . 8 HIS HE1 1 1 9 4321 1 1 8 HIS HE2 H -4.289 2.461 5.796 1.00 . A A . 8 HIS HE2 1 1 9 4322 1 1 8 HIS N N -6.699 -0.558 3.401 1.00 . A A . 8 HIS N 1 1 9 4323 1 1 8 HIS ND1 N -6.939 1.243 6.776 1.00 . A A . 8 HIS ND1 1 1 9 4324 1 1 8 HIS NE2 N -5.113 1.945 5.911 1.00 . A A . 8 HIS NE2 1 1 9 4325 1 1 8 HIS O O -9.450 -0.161 3.762 1.00 . A A . 8 HIS O 1 1 9 4326 1 1 9 CYS C C -11.815 -2.660 5.078 1.00 . A A . 9 CYS C 1 1 9 4327 1 1 9 CYS CA C -11.072 -2.372 3.781 1.00 . A A . 9 CYS CA 1 1 9 4328 1 1 9 CYS CB C -11.449 -3.382 2.702 1.00 . A A . 9 CYS CB 1 1 9 4329 1 1 9 CYS H H -9.200 -3.227 4.227 1.00 . A A . 9 CYS H 1 1 9 4330 1 1 9 CYS HA H -11.333 -1.385 3.448 1.00 . A A . 9 CYS HA 1 1 9 4331 1 1 9 CYS HB2 H -11.344 -4.378 3.099 1.00 . A A . 9 CYS HB2 1 1 9 4332 1 1 9 CYS HB3 H -12.474 -3.215 2.418 1.00 . A A . 9 CYS HB3 1 1 9 4333 1 1 9 CYS N N -9.650 -2.380 4.027 1.00 . A A . 9 CYS N 1 1 9 4334 1 1 9 CYS O O -11.956 -3.811 5.491 1.00 . A A . 9 CYS O 1 1 9 4335 1 1 9 CYS SG S -10.435 -3.279 1.192 1.00 . A A . 9 CYS SG 1 1 9 4336 1 1 10 THR C C -14.484 -1.745 6.777 1.00 . A A . 10 THR C 1 1 9 4337 1 1 10 THR CA C -12.979 -1.722 6.993 1.00 . A A . 10 THR CA 1 1 9 4338 1 1 10 THR CB C -12.597 -0.564 7.919 1.00 . A A . 10 THR CB 1 1 9 4339 1 1 10 THR CG2 C -11.104 -0.426 8.126 1.00 . A A . 10 THR CG2 1 1 9 4340 1 1 10 THR H H -12.112 -0.706 5.348 1.00 . A A . 10 THR H 1 1 9 4341 1 1 10 THR HA H -12.685 -2.651 7.451 1.00 . A A . 10 THR HA 1 1 9 4342 1 1 10 THR HB H -13.050 -0.727 8.888 1.00 . A A . 10 THR HB 1 1 9 4343 1 1 10 THR HG1 H -12.957 0.684 6.453 1.00 . A A . 10 THR HG1 1 1 9 4344 1 1 10 THR HG21 H -10.694 0.222 7.365 1.00 . A A . 10 THR HG21 1 1 9 4345 1 1 10 THR HG22 H -10.639 -1.397 8.060 1.00 . A A . 10 THR HG22 1 1 9 4346 1 1 10 THR HG23 H -10.912 -0.001 9.101 1.00 . A A . 10 THR HG23 1 1 9 4347 1 1 10 THR N N -12.271 -1.599 5.725 1.00 . A A . 10 THR N 1 1 9 4348 1 1 10 THR O O -14.962 -1.926 5.658 1.00 . A A . 10 THR O 1 1 9 4349 1 1 10 THR OG1 O -13.076 0.666 7.406 1.00 . A A . 10 THR OG1 1 1 9 4350 1 1 11 LYS C C -17.208 -0.502 6.867 1.00 . A A . 11 LYS C 1 1 9 4351 1 1 11 LYS CA C -16.679 -1.586 7.808 1.00 . A A . 11 LYS CA 1 1 9 4352 1 1 11 LYS CB C -17.249 -1.419 9.219 1.00 . A A . 11 LYS CB 1 1 9 4353 1 1 11 LYS CD C -15.813 0.479 10.035 1.00 . A A . 11 LYS CD 1 1 9 4354 1 1 11 LYS CE C -15.808 1.807 10.775 1.00 . A A . 11 LYS CE 1 1 9 4355 1 1 11 LYS CG C -17.229 0.011 9.740 1.00 . A A . 11 LYS CG 1 1 9 4356 1 1 11 LYS H H -14.785 -1.444 8.728 1.00 . A A . 11 LYS H 1 1 9 4357 1 1 11 LYS HA H -16.981 -2.549 7.424 1.00 . A A . 11 LYS HA 1 1 9 4358 1 1 11 LYS HB2 H -18.270 -1.767 9.226 1.00 . A A . 11 LYS HB2 1 1 9 4359 1 1 11 LYS HB3 H -16.665 -2.030 9.894 1.00 . A A . 11 LYS HB3 1 1 9 4360 1 1 11 LYS HD2 H -15.319 -0.262 10.645 1.00 . A A . 11 LYS HD2 1 1 9 4361 1 1 11 LYS HD3 H -15.281 0.595 9.102 1.00 . A A . 11 LYS HD3 1 1 9 4362 1 1 11 LYS HE2 H -14.789 2.155 10.858 1.00 . A A . 11 LYS HE2 1 1 9 4363 1 1 11 LYS HE3 H -16.386 2.522 10.209 1.00 . A A . 11 LYS HE3 1 1 9 4364 1 1 11 LYS HG2 H -17.667 0.661 8.998 1.00 . A A . 11 LYS HG2 1 1 9 4365 1 1 11 LYS HG3 H -17.811 0.058 10.650 1.00 . A A . 11 LYS HG3 1 1 9 4366 1 1 11 LYS HZ1 H -15.641 1.775 12.858 1.00 . A A . 11 LYS HZ1 1 1 9 4367 1 1 11 LYS HZ2 H -16.855 0.764 12.254 1.00 . A A . 11 LYS HZ2 1 1 9 4368 1 1 11 LYS HZ3 H -17.094 2.437 12.297 1.00 . A A . 11 LYS HZ3 1 1 9 4369 1 1 11 LYS N N -15.227 -1.573 7.863 1.00 . A A . 11 LYS N 1 1 9 4370 1 1 11 LYS NZ N -16.390 1.688 12.142 1.00 . A A . 11 LYS NZ 1 1 9 4371 1 1 11 LYS O O -18.356 -0.558 6.429 1.00 . A A . 11 LYS O 1 1 9 4372 1 1 12 SER C C -16.295 1.249 4.213 1.00 . A A . 12 SER C 1 1 9 4373 1 1 12 SER CA C -16.745 1.550 5.644 1.00 . A A . 12 SER CA 1 1 9 4374 1 1 12 SER CB C -16.141 2.874 6.115 1.00 . A A . 12 SER CB 1 1 9 4375 1 1 12 SER H H -15.454 0.463 6.916 1.00 . A A . 12 SER H 1 1 9 4376 1 1 12 SER HA H -17.821 1.628 5.660 1.00 . A A . 12 SER HA 1 1 9 4377 1 1 12 SER HB2 H -15.964 3.511 5.262 1.00 . A A . 12 SER HB2 1 1 9 4378 1 1 12 SER HB3 H -16.828 3.359 6.793 1.00 . A A . 12 SER HB3 1 1 9 4379 1 1 12 SER HG H -14.952 3.056 7.662 1.00 . A A . 12 SER HG 1 1 9 4380 1 1 12 SER N N -16.361 0.473 6.547 1.00 . A A . 12 SER N 1 1 9 4381 1 1 12 SER O O -16.475 2.067 3.311 1.00 . A A . 12 SER O 1 1 9 4382 1 1 12 SER OG O -14.911 2.662 6.787 1.00 . A A . 12 SER OG 1 1 9 4383 1 1 13 GLY C C -13.718 -0.243 2.604 1.00 . A A . 13 GLY C 1 1 9 4384 1 1 13 GLY CA C -15.229 -0.315 2.698 1.00 . A A . 13 GLY CA 1 1 9 4385 1 1 13 GLY H H -15.583 -0.539 4.769 1.00 . A A . 13 GLY H 1 1 9 4386 1 1 13 GLY HA2 H -15.547 -1.327 2.493 1.00 . A A . 13 GLY HA2 1 1 9 4387 1 1 13 GLY HA3 H -15.658 0.345 1.960 1.00 . A A . 13 GLY HA3 1 1 9 4388 1 1 13 GLY N N -15.702 0.072 4.014 1.00 . A A . 13 GLY N 1 1 9 4389 1 1 13 GLY O O -13.031 -0.281 3.622 1.00 . A A . 13 GLY O 1 1 9 4390 1 1 14 CYS C C -11.317 1.423 1.195 1.00 . A A . 14 CYS C 1 1 9 4391 1 1 14 CYS CA C -11.757 -0.024 1.184 1.00 . A A . 14 CYS CA 1 1 9 4392 1 1 14 CYS CB C -11.336 -0.698 -0.115 1.00 . A A . 14 CYS CB 1 1 9 4393 1 1 14 CYS H H -13.794 -0.084 0.609 1.00 . A A . 14 CYS H 1 1 9 4394 1 1 14 CYS HA H -11.266 -0.516 1.998 1.00 . A A . 14 CYS HA 1 1 9 4395 1 1 14 CYS HB2 H -11.840 -0.226 -0.940 1.00 . A A . 14 CYS HB2 1 1 9 4396 1 1 14 CYS HB3 H -10.270 -0.581 -0.230 1.00 . A A . 14 CYS HB3 1 1 9 4397 1 1 14 CYS N N -13.197 -0.122 1.386 1.00 . A A . 14 CYS N 1 1 9 4398 1 1 14 CYS O O -11.916 2.279 0.544 1.00 . A A . 14 CYS O 1 1 9 4399 1 1 14 CYS SG S -11.702 -2.481 -0.181 1.00 . A A . 14 CYS SG 1 1 9 4400 1 1 15 SER C C -8.213 3.023 2.057 1.00 . A A . 15 SER C 1 1 9 4401 1 1 15 SER CA C -9.733 3.034 2.077 1.00 . A A . 15 SER CA 1 1 9 4402 1 1 15 SER CB C -10.242 3.683 3.366 1.00 . A A . 15 SER CB 1 1 9 4403 1 1 15 SER H H -9.842 0.945 2.447 1.00 . A A . 15 SER H 1 1 9 4404 1 1 15 SER HA H -10.086 3.606 1.234 1.00 . A A . 15 SER HA 1 1 9 4405 1 1 15 SER HB2 H -9.486 3.602 4.132 1.00 . A A . 15 SER HB2 1 1 9 4406 1 1 15 SER HB3 H -10.458 4.726 3.182 1.00 . A A . 15 SER HB3 1 1 9 4407 1 1 15 SER HG H -12.021 2.914 3.083 1.00 . A A . 15 SER HG 1 1 9 4408 1 1 15 SER N N -10.266 1.683 1.953 1.00 . A A . 15 SER N 1 1 9 4409 1 1 15 SER O O -7.593 1.961 2.005 1.00 . A A . 15 SER O 1 1 9 4410 1 1 15 SER OG O -11.423 3.047 3.823 1.00 . A A . 15 SER OG 1 1 9 4411 1 1 16 VAL C C -5.674 5.408 3.024 1.00 . A A . 16 VAL C 1 1 9 4412 1 1 16 VAL CA C -6.169 4.332 2.065 1.00 . A A . 16 VAL CA 1 1 9 4413 1 1 16 VAL CB C -5.643 4.668 0.657 1.00 . A A . 16 VAL CB 1 1 9 4414 1 1 16 VAL CG1 C -4.138 4.816 0.674 1.00 . A A . 16 VAL CG1 1 1 9 4415 1 1 16 VAL CG2 C -6.025 3.606 -0.338 1.00 . A A . 16 VAL CG2 1 1 9 4416 1 1 16 VAL H H -8.168 5.023 2.119 1.00 . A A . 16 VAL H 1 1 9 4417 1 1 16 VAL HA H -5.752 3.381 2.360 1.00 . A A . 16 VAL HA 1 1 9 4418 1 1 16 VAL HB H -6.080 5.605 0.344 1.00 . A A . 16 VAL HB 1 1 9 4419 1 1 16 VAL HG11 H -3.737 4.263 1.509 1.00 . A A . 16 VAL HG11 1 1 9 4420 1 1 16 VAL HG12 H -3.884 5.854 0.775 1.00 . A A . 16 VAL HG12 1 1 9 4421 1 1 16 VAL HG13 H -3.726 4.425 -0.244 1.00 . A A . 16 VAL HG13 1 1 9 4422 1 1 16 VAL HG21 H -6.107 2.660 0.174 1.00 . A A . 16 VAL HG21 1 1 9 4423 1 1 16 VAL HG22 H -5.253 3.545 -1.098 1.00 . A A . 16 VAL HG22 1 1 9 4424 1 1 16 VAL HG23 H -6.967 3.862 -0.798 1.00 . A A . 16 VAL HG23 1 1 9 4425 1 1 16 VAL N N -7.619 4.211 2.086 1.00 . A A . 16 VAL N 1 1 9 4426 1 1 16 VAL O O -6.080 6.567 2.937 1.00 . A A . 16 VAL O 1 1 9 4427 1 1 17 ASN C C -3.286 6.948 4.105 1.00 . A A . 17 ASN C 1 1 9 4428 1 1 17 ASN CA C -4.187 5.974 4.858 1.00 . A A . 17 ASN CA 1 1 9 4429 1 1 17 ASN CB C -3.382 5.242 5.935 1.00 . A A . 17 ASN CB 1 1 9 4430 1 1 17 ASN CG C -3.878 5.552 7.336 1.00 . A A . 17 ASN CG 1 1 9 4431 1 1 17 ASN H H -4.462 4.094 3.922 1.00 . A A . 17 ASN H 1 1 9 4432 1 1 17 ASN HA H -4.987 6.521 5.321 1.00 . A A . 17 ASN HA 1 1 9 4433 1 1 17 ASN HB2 H -3.461 4.178 5.773 1.00 . A A . 17 ASN HB2 1 1 9 4434 1 1 17 ASN HB3 H -2.343 5.537 5.866 1.00 . A A . 17 ASN HB3 1 1 9 4435 1 1 17 ASN HD21 H -2.542 7.015 7.507 1.00 . A A . 17 ASN HD21 1 1 9 4436 1 1 17 ASN HD22 H -3.562 6.767 8.878 1.00 . A A . 17 ASN HD22 1 1 9 4437 1 1 17 ASN N N -4.767 5.025 3.917 1.00 . A A . 17 ASN N 1 1 9 4438 1 1 17 ASN ND2 N -3.266 6.545 7.970 1.00 . A A . 17 ASN ND2 1 1 9 4439 1 1 17 ASN O O -3.005 8.050 4.575 1.00 . A A . 17 ASN O 1 1 9 4440 1 1 17 ASN OD1 O -4.799 4.908 7.840 1.00 . A A . 17 ASN OD1 1 1 9 4441 1 1 18 TRP C C -0.619 7.508 2.732 1.00 . A A . 18 TRP C 1 1 9 4442 1 1 18 TRP CA C -1.963 7.301 2.078 1.00 . A A . 18 TRP CA 1 1 9 4443 1 1 18 TRP CB C -2.643 8.616 1.707 1.00 . A A . 18 TRP CB 1 1 9 4444 1 1 18 TRP CD1 C -5.087 8.502 0.960 1.00 . A A . 18 TRP CD1 1 1 9 4445 1 1 18 TRP CD2 C -3.607 7.906 -0.596 1.00 . A A . 18 TRP CD2 1 1 9 4446 1 1 18 TRP CE2 C -4.891 7.784 -1.140 1.00 . A A . 18 TRP CE2 1 1 9 4447 1 1 18 TRP CE3 C -2.507 7.585 -1.383 1.00 . A A . 18 TRP CE3 1 1 9 4448 1 1 18 TRP CG C -3.751 8.378 0.739 1.00 . A A . 18 TRP CG 1 1 9 4449 1 1 18 TRP CH2 C -4.013 7.038 -3.193 1.00 . A A . 18 TRP CH2 1 1 9 4450 1 1 18 TRP CZ2 C -5.108 7.350 -2.441 1.00 . A A . 18 TRP CZ2 1 1 9 4451 1 1 18 TRP CZ3 C -2.719 7.150 -2.675 1.00 . A A . 18 TRP CZ3 1 1 9 4452 1 1 18 TRP H H -3.098 5.622 2.632 1.00 . A A . 18 TRP H 1 1 9 4453 1 1 18 TRP HA H -1.798 6.732 1.172 1.00 . A A . 18 TRP HA 1 1 9 4454 1 1 18 TRP HB2 H -3.054 9.078 2.592 1.00 . A A . 18 TRP HB2 1 1 9 4455 1 1 18 TRP HB3 H -1.924 9.280 1.247 1.00 . A A . 18 TRP HB3 1 1 9 4456 1 1 18 TRP HD1 H -5.519 8.825 1.891 1.00 . A A . 18 TRP HD1 1 1 9 4457 1 1 18 TRP HE1 H -6.757 8.166 -0.264 1.00 . A A . 18 TRP HE1 1 1 9 4458 1 1 18 TRP HE3 H -1.504 7.658 -0.987 1.00 . A A . 18 TRP HE3 1 1 9 4459 1 1 18 TRP HH2 H -4.136 6.687 -4.203 1.00 . A A . 18 TRP HH2 1 1 9 4460 1 1 18 TRP HZ2 H -6.101 7.257 -2.854 1.00 . A A . 18 TRP HZ2 1 1 9 4461 1 1 18 TRP HZ3 H -1.878 6.892 -3.301 1.00 . A A . 18 TRP HZ3 1 1 9 4462 1 1 18 TRP N N -2.834 6.509 2.932 1.00 . A A . 18 TRP N 1 1 9 4463 1 1 18 TRP NE1 N -5.783 8.152 -0.169 1.00 . A A . 18 TRP NE1 1 1 9 4464 1 1 18 TRP O O 0.386 6.992 2.250 1.00 . A A . 18 TRP O 1 1 9 4465 1 1 19 GLY C C 1.302 7.057 4.852 1.00 . A A . 19 GLY C 1 1 9 4466 1 1 19 GLY CA C 0.673 8.399 4.526 1.00 . A A . 19 GLY CA 1 1 9 4467 1 1 19 GLY H H -1.415 8.585 4.221 1.00 . A A . 19 GLY H 1 1 9 4468 1 1 19 GLY HA2 H 1.337 8.954 3.873 1.00 . A A . 19 GLY HA2 1 1 9 4469 1 1 19 GLY HA3 H 0.515 8.953 5.437 1.00 . A A . 19 GLY HA3 1 1 9 4470 1 1 19 GLY N N -0.587 8.217 3.847 1.00 . A A . 19 GLY N 1 1 9 4471 1 1 19 GLY O O 2.525 6.928 4.911 1.00 . A A . 19 GLY O 1 1 9 4472 1 1 20 GLU C C 1.436 4.059 4.031 1.00 . A A . 20 GLU C 1 1 9 4473 1 1 20 GLU CA C 0.909 4.687 5.312 1.00 . A A . 20 GLU CA 1 1 9 4474 1 1 20 GLU CB C -0.226 3.836 5.899 1.00 . A A . 20 GLU CB 1 1 9 4475 1 1 20 GLU CD C -1.458 3.200 8.028 1.00 . A A . 20 GLU CD 1 1 9 4476 1 1 20 GLU CG C -0.575 4.218 7.332 1.00 . A A . 20 GLU CG 1 1 9 4477 1 1 20 GLU H H -0.514 6.210 4.947 1.00 . A A . 20 GLU H 1 1 9 4478 1 1 20 GLU HA H 1.713 4.752 6.030 1.00 . A A . 20 GLU HA 1 1 9 4479 1 1 20 GLU HB2 H -1.113 3.951 5.286 1.00 . A A . 20 GLU HB2 1 1 9 4480 1 1 20 GLU HB3 H 0.076 2.794 5.886 1.00 . A A . 20 GLU HB3 1 1 9 4481 1 1 20 GLU HG2 H 0.339 4.318 7.895 1.00 . A A . 20 GLU HG2 1 1 9 4482 1 1 20 GLU HG3 H -1.090 5.167 7.319 1.00 . A A . 20 GLU HG3 1 1 9 4483 1 1 20 GLU N N 0.449 6.043 5.031 1.00 . A A . 20 GLU N 1 1 9 4484 1 1 20 GLU O O 2.475 3.398 4.027 1.00 . A A . 20 GLU O 1 1 9 4485 1 1 20 GLU OE1 O -2.557 2.909 7.509 1.00 . A A . 20 GLU OE1 1 1 9 4486 1 1 20 GLU OE2 O -1.053 2.695 9.097 1.00 . A A . 20 GLU OE2 1 1 9 4487 1 1 21 ALA C C 2.342 4.544 1.145 1.00 . A A . 21 ALA C 1 1 9 4488 1 1 21 ALA CA C 1.115 3.797 1.632 1.00 . A A . 21 ALA CA 1 1 9 4489 1 1 21 ALA CB C -0.014 3.995 0.649 1.00 . A A . 21 ALA CB 1 1 9 4490 1 1 21 ALA H H -0.090 4.854 3.005 1.00 . A A . 21 ALA H 1 1 9 4491 1 1 21 ALA HA H 1.334 2.741 1.713 1.00 . A A . 21 ALA HA 1 1 9 4492 1 1 21 ALA HB1 H -0.908 3.530 1.027 1.00 . A A . 21 ALA HB1 1 1 9 4493 1 1 21 ALA HB2 H 0.254 3.557 -0.300 1.00 . A A . 21 ALA HB2 1 1 9 4494 1 1 21 ALA HB3 H -0.184 5.054 0.524 1.00 . A A . 21 ALA HB3 1 1 9 4495 1 1 21 ALA N N 0.721 4.303 2.936 1.00 . A A . 21 ALA N 1 1 9 4496 1 1 21 ALA O O 3.238 3.968 0.530 1.00 . A A . 21 ALA O 1 1 9 4497 1 1 22 PHE C C 4.757 6.120 1.698 1.00 . A A . 22 PHE C 1 1 9 4498 1 1 22 PHE CA C 3.492 6.679 1.081 1.00 . A A . 22 PHE CA 1 1 9 4499 1 1 22 PHE CB C 3.245 8.100 1.584 1.00 . A A . 22 PHE CB 1 1 9 4500 1 1 22 PHE CD1 C 5.515 9.143 1.764 1.00 . A A . 22 PHE CD1 1 1 9 4501 1 1 22 PHE CD2 C 4.027 9.957 0.089 1.00 . A A . 22 PHE CD2 1 1 9 4502 1 1 22 PHE CE1 C 6.476 10.046 1.354 1.00 . A A . 22 PHE CE1 1 1 9 4503 1 1 22 PHE CE2 C 4.983 10.864 -0.325 1.00 . A A . 22 PHE CE2 1 1 9 4504 1 1 22 PHE CG C 4.282 9.088 1.137 1.00 . A A . 22 PHE CG 1 1 9 4505 1 1 22 PHE CZ C 6.209 10.908 0.309 1.00 . A A . 22 PHE CZ 1 1 9 4506 1 1 22 PHE H H 1.635 6.219 1.964 1.00 . A A . 22 PHE H 1 1 9 4507 1 1 22 PHE HA H 3.582 6.682 0.002 1.00 . A A . 22 PHE HA 1 1 9 4508 1 1 22 PHE HB2 H 2.285 8.439 1.225 1.00 . A A . 22 PHE HB2 1 1 9 4509 1 1 22 PHE HB3 H 3.234 8.090 2.666 1.00 . A A . 22 PHE HB3 1 1 9 4510 1 1 22 PHE HD1 H 5.724 8.469 2.581 1.00 . A A . 22 PHE HD1 1 1 9 4511 1 1 22 PHE HD2 H 3.067 9.922 -0.406 1.00 . A A . 22 PHE HD2 1 1 9 4512 1 1 22 PHE HE1 H 7.433 10.078 1.852 1.00 . A A . 22 PHE HE1 1 1 9 4513 1 1 22 PHE HE2 H 4.772 11.537 -1.141 1.00 . A A . 22 PHE HE2 1 1 9 4514 1 1 22 PHE HZ H 6.959 11.616 -0.013 1.00 . A A . 22 PHE HZ 1 1 9 4515 1 1 22 PHE N N 2.378 5.832 1.455 1.00 . A A . 22 PHE N 1 1 9 4516 1 1 22 PHE O O 5.819 6.107 1.080 1.00 . A A . 22 PHE O 1 1 9 4517 1 1 23 SER C C 6.120 3.712 2.951 1.00 . A A . 23 SER C 1 1 9 4518 1 1 23 SER CA C 5.728 5.015 3.634 1.00 . A A . 23 SER CA 1 1 9 4519 1 1 23 SER CB C 5.355 4.753 5.096 1.00 . A A . 23 SER CB 1 1 9 4520 1 1 23 SER H H 3.719 5.643 3.334 1.00 . A A . 23 SER H 1 1 9 4521 1 1 23 SER HA H 6.568 5.697 3.595 1.00 . A A . 23 SER HA 1 1 9 4522 1 1 23 SER HB2 H 5.062 5.682 5.563 1.00 . A A . 23 SER HB2 1 1 9 4523 1 1 23 SER HB3 H 4.533 4.054 5.136 1.00 . A A . 23 SER HB3 1 1 9 4524 1 1 23 SER HG H 7.206 4.800 5.739 1.00 . A A . 23 SER HG 1 1 9 4525 1 1 23 SER N N 4.613 5.624 2.919 1.00 . A A . 23 SER N 1 1 9 4526 1 1 23 SER O O 7.282 3.304 2.971 1.00 . A A . 23 SER O 1 1 9 4527 1 1 23 SER OG O 6.450 4.211 5.812 1.00 . A A . 23 SER OG 1 1 9 4528 1 1 24 ALA C C 6.044 2.080 0.302 1.00 . A A . 24 ALA C 1 1 9 4529 1 1 24 ALA CA C 5.349 1.816 1.630 1.00 . A A . 24 ALA CA 1 1 9 4530 1 1 24 ALA CB C 4.023 1.110 1.398 1.00 . A A . 24 ALA CB 1 1 9 4531 1 1 24 ALA H H 4.228 3.452 2.355 1.00 . A A . 24 ALA H 1 1 9 4532 1 1 24 ALA HA H 5.975 1.182 2.241 1.00 . A A . 24 ALA HA 1 1 9 4533 1 1 24 ALA HB1 H 3.371 1.285 2.241 1.00 . A A . 24 ALA HB1 1 1 9 4534 1 1 24 ALA HB2 H 4.192 0.049 1.285 1.00 . A A . 24 ALA HB2 1 1 9 4535 1 1 24 ALA HB3 H 3.563 1.501 0.502 1.00 . A A . 24 ALA HB3 1 1 9 4536 1 1 24 ALA N N 5.131 3.067 2.337 1.00 . A A . 24 ALA N 1 1 9 4537 1 1 24 ALA O O 7.040 1.439 -0.038 1.00 . A A . 24 ALA O 1 1 9 4538 1 1 25 GLY C C 7.497 3.922 -1.588 1.00 . A A . 25 GLY C 1 1 9 4539 1 1 25 GLY CA C 6.087 3.386 -1.721 1.00 . A A . 25 GLY CA 1 1 9 4540 1 1 25 GLY H H 4.721 3.519 -0.113 1.00 . A A . 25 GLY H 1 1 9 4541 1 1 25 GLY HA2 H 6.105 2.504 -2.346 1.00 . A A . 25 GLY HA2 1 1 9 4542 1 1 25 GLY HA3 H 5.471 4.137 -2.193 1.00 . A A . 25 GLY HA3 1 1 9 4543 1 1 25 GLY N N 5.511 3.039 -0.441 1.00 . A A . 25 GLY N 1 1 9 4544 1 1 25 GLY O O 8.347 3.648 -2.428 1.00 . A A . 25 GLY O 1 1 9 4545 1 1 26 VAL C C 10.091 4.160 -0.058 1.00 . A A . 26 VAL C 1 1 9 4546 1 1 26 VAL CA C 9.075 5.260 -0.305 1.00 . A A . 26 VAL CA 1 1 9 4547 1 1 26 VAL CB C 9.088 6.234 0.893 1.00 . A A . 26 VAL CB 1 1 9 4548 1 1 26 VAL CG1 C 10.493 6.761 1.140 1.00 . A A . 26 VAL CG1 1 1 9 4549 1 1 26 VAL CG2 C 8.124 7.384 0.662 1.00 . A A . 26 VAL CG2 1 1 9 4550 1 1 26 VAL H H 7.031 4.878 0.109 1.00 . A A . 26 VAL H 1 1 9 4551 1 1 26 VAL HA H 9.368 5.802 -1.201 1.00 . A A . 26 VAL HA 1 1 9 4552 1 1 26 VAL HB H 8.767 5.696 1.776 1.00 . A A . 26 VAL HB 1 1 9 4553 1 1 26 VAL HG11 H 10.909 7.116 0.210 1.00 . A A . 26 VAL HG11 1 1 9 4554 1 1 26 VAL HG12 H 11.112 5.967 1.532 1.00 . A A . 26 VAL HG12 1 1 9 4555 1 1 26 VAL HG13 H 10.455 7.573 1.850 1.00 . A A . 26 VAL HG13 1 1 9 4556 1 1 26 VAL HG21 H 8.671 8.251 0.321 1.00 . A A . 26 VAL HG21 1 1 9 4557 1 1 26 VAL HG22 H 7.617 7.618 1.586 1.00 . A A . 26 VAL HG22 1 1 9 4558 1 1 26 VAL HG23 H 7.398 7.100 -0.085 1.00 . A A . 26 VAL HG23 1 1 9 4559 1 1 26 VAL N N 7.750 4.691 -0.530 1.00 . A A . 26 VAL N 1 1 9 4560 1 1 26 VAL O O 11.209 4.219 -0.558 1.00 . A A . 26 VAL O 1 1 9 4561 1 1 27 HIS C C 11.000 1.398 -0.377 1.00 . A A . 27 HIS C 1 1 9 4562 1 1 27 HIS CA C 10.609 2.031 0.953 1.00 . A A . 27 HIS CA 1 1 9 4563 1 1 27 HIS CB C 9.955 0.996 1.870 1.00 . A A . 27 HIS CB 1 1 9 4564 1 1 27 HIS CD2 C 9.063 0.933 4.299 1.00 . A A . 27 HIS CD2 1 1 9 4565 1 1 27 HIS CE1 C 9.340 3.050 4.779 1.00 . A A . 27 HIS CE1 1 1 9 4566 1 1 27 HIS CG C 9.589 1.538 3.209 1.00 . A A . 27 HIS CG 1 1 9 4567 1 1 27 HIS H H 8.791 3.119 1.060 1.00 . A A . 27 HIS H 1 1 9 4568 1 1 27 HIS HA H 11.495 2.429 1.432 1.00 . A A . 27 HIS HA 1 1 9 4569 1 1 27 HIS HB2 H 9.053 0.630 1.408 1.00 . A A . 27 HIS HB2 1 1 9 4570 1 1 27 HIS HB3 H 10.638 0.175 2.022 1.00 . A A . 27 HIS HB3 1 1 9 4571 1 1 27 HIS HD1 H 10.117 3.558 2.962 1.00 . A A . 27 HIS HD1 1 1 9 4572 1 1 27 HIS HD2 H 8.807 -0.114 4.393 1.00 . A A . 27 HIS HD2 1 1 9 4573 1 1 27 HIS HE1 H 9.341 3.988 5.299 1.00 . A A . 27 HIS HE1 1 1 9 4574 1 1 27 HIS HE2 H 8.672 1.733 6.199 1.00 . A A . 27 HIS HE2 1 1 9 4575 1 1 27 HIS N N 9.701 3.137 0.692 1.00 . A A . 27 HIS N 1 1 9 4576 1 1 27 HIS ND1 N 9.750 2.860 3.543 1.00 . A A . 27 HIS ND1 1 1 9 4577 1 1 27 HIS NE2 N 8.917 1.896 5.264 1.00 . A A . 27 HIS NE2 1 1 9 4578 1 1 27 HIS O O 12.114 0.907 -0.544 1.00 . A A . 27 HIS O 1 1 9 4579 1 1 28 ARG C C 11.172 1.825 -3.495 1.00 . A A . 28 ARG C 1 1 9 4580 1 1 28 ARG CA C 10.285 0.895 -2.657 1.00 . A A . 28 ARG CA 1 1 9 4581 1 1 28 ARG CB C 8.944 0.679 -3.363 1.00 . A A . 28 ARG CB 1 1 9 4582 1 1 28 ARG CD C 8.928 -1.487 -4.638 1.00 . A A . 28 ARG CD 1 1 9 4583 1 1 28 ARG CG C 9.069 0.024 -4.728 1.00 . A A . 28 ARG CG 1 1 9 4584 1 1 28 ARG CZ C 7.176 -3.147 -4.141 1.00 . A A . 28 ARG CZ 1 1 9 4585 1 1 28 ARG H H 9.199 1.851 -1.118 1.00 . A A . 28 ARG H 1 1 9 4586 1 1 28 ARG HA H 10.782 -0.058 -2.552 1.00 . A A . 28 ARG HA 1 1 9 4587 1 1 28 ARG HB2 H 8.321 0.051 -2.743 1.00 . A A . 28 ARG HB2 1 1 9 4588 1 1 28 ARG HB3 H 8.459 1.635 -3.491 1.00 . A A . 28 ARG HB3 1 1 9 4589 1 1 28 ARG HD2 H 9.269 -1.923 -5.564 1.00 . A A . 28 ARG HD2 1 1 9 4590 1 1 28 ARG HD3 H 9.542 -1.845 -3.824 1.00 . A A . 28 ARG HD3 1 1 9 4591 1 1 28 ARG HE H 6.854 -1.201 -4.443 1.00 . A A . 28 ARG HE 1 1 9 4592 1 1 28 ARG HG2 H 8.295 0.411 -5.373 1.00 . A A . 28 ARG HG2 1 1 9 4593 1 1 28 ARG HG3 H 10.038 0.263 -5.142 1.00 . A A . 28 ARG HG3 1 1 9 4594 1 1 28 ARG HH11 H 9.049 -3.905 -4.231 1.00 . A A . 28 ARG HH11 1 1 9 4595 1 1 28 ARG HH12 H 7.799 -5.052 -3.882 1.00 . A A . 28 ARG HH12 1 1 9 4596 1 1 28 ARG HH21 H 5.210 -2.708 -3.982 1.00 . A A . 28 ARG HH21 1 1 9 4597 1 1 28 ARG HH22 H 5.620 -4.373 -3.741 1.00 . A A . 28 ARG HH22 1 1 9 4598 1 1 28 ARG N N 10.064 1.434 -1.322 1.00 . A A . 28 ARG N 1 1 9 4599 1 1 28 ARG NE N 7.545 -1.895 -4.403 1.00 . A A . 28 ARG NE 1 1 9 4600 1 1 28 ARG NH1 N 8.083 -4.114 -4.080 1.00 . A A . 28 ARG NH1 1 1 9 4601 1 1 28 ARG NH2 N 5.897 -3.433 -3.938 1.00 . A A . 28 ARG NH2 1 1 9 4602 1 1 28 ARG O O 12.176 1.395 -4.063 1.00 . A A . 28 ARG O 1 1 9 4603 1 1 29 LEU C C 12.832 4.477 -3.724 1.00 . A A . 29 LEU C 1 1 9 4604 1 1 29 LEU CA C 11.514 4.092 -4.372 1.00 . A A . 29 LEU CA 1 1 9 4605 1 1 29 LEU CB C 10.680 5.357 -4.568 1.00 . A A . 29 LEU CB 1 1 9 4606 1 1 29 LEU CD1 C 8.494 6.438 -5.088 1.00 . A A . 29 LEU CD1 1 1 9 4607 1 1 29 LEU CD2 C 8.913 4.068 -5.774 1.00 . A A . 29 LEU CD2 1 1 9 4608 1 1 29 LEU CG C 9.182 5.135 -4.728 1.00 . A A . 29 LEU CG 1 1 9 4609 1 1 29 LEU H H 9.962 3.377 -3.117 1.00 . A A . 29 LEU H 1 1 9 4610 1 1 29 LEU HA H 11.712 3.663 -5.332 1.00 . A A . 29 LEU HA 1 1 9 4611 1 1 29 LEU HB2 H 10.837 5.999 -3.714 1.00 . A A . 29 LEU HB2 1 1 9 4612 1 1 29 LEU HB3 H 11.042 5.865 -5.448 1.00 . A A . 29 LEU HB3 1 1 9 4613 1 1 29 LEU HD11 H 8.796 7.203 -4.388 1.00 . A A . 29 LEU HD11 1 1 9 4614 1 1 29 LEU HD12 H 7.424 6.304 -5.040 1.00 . A A . 29 LEU HD12 1 1 9 4615 1 1 29 LEU HD13 H 8.779 6.731 -6.087 1.00 . A A . 29 LEU HD13 1 1 9 4616 1 1 29 LEU HD21 H 9.765 3.986 -6.432 1.00 . A A . 29 LEU HD21 1 1 9 4617 1 1 29 LEU HD22 H 8.037 4.334 -6.346 1.00 . A A . 29 LEU HD22 1 1 9 4618 1 1 29 LEU HD23 H 8.748 3.120 -5.281 1.00 . A A . 29 LEU HD23 1 1 9 4619 1 1 29 LEU HG H 8.779 4.796 -3.792 1.00 . A A . 29 LEU HG 1 1 9 4620 1 1 29 LEU N N 10.776 3.099 -3.585 1.00 . A A . 29 LEU N 1 1 9 4621 1 1 29 LEU O O 13.873 4.537 -4.376 1.00 . A A . 29 LEU O 1 1 9 4622 1 1 30 ALA C C 14.980 4.108 -1.533 1.00 . A A . 30 ALA C 1 1 9 4623 1 1 30 ALA CA C 13.919 5.202 -1.675 1.00 . A A . 30 ALA CA 1 1 9 4624 1 1 30 ALA CB C 13.472 5.678 -0.304 1.00 . A A . 30 ALA CB 1 1 9 4625 1 1 30 ALA H H 11.880 4.730 -2.002 1.00 . A A . 30 ALA H 1 1 9 4626 1 1 30 ALA HA H 14.358 6.043 -2.188 1.00 . A A . 30 ALA HA 1 1 9 4627 1 1 30 ALA HB1 H 13.340 4.827 0.346 1.00 . A A . 30 ALA HB1 1 1 9 4628 1 1 30 ALA HB2 H 12.533 6.205 -0.399 1.00 . A A . 30 ALA HB2 1 1 9 4629 1 1 30 ALA HB3 H 14.218 6.339 0.112 1.00 . A A . 30 ALA HB3 1 1 9 4630 1 1 30 ALA N N 12.757 4.771 -2.441 1.00 . A A . 30 ALA N 1 1 9 4631 1 1 30 ALA O O 16.059 4.360 -0.997 1.00 . A A . 30 ALA O 1 1 9 4632 1 1 31 ASN C C 16.652 1.880 -3.079 1.00 . A A . 31 ASN C 1 1 9 4633 1 1 31 ASN CA C 15.648 1.810 -1.930 1.00 . A A . 31 ASN CA 1 1 9 4634 1 1 31 ASN CB C 14.934 0.459 -1.942 1.00 . A A . 31 ASN CB 1 1 9 4635 1 1 31 ASN CG C 15.887 -0.696 -1.704 1.00 . A A . 31 ASN CG 1 1 9 4636 1 1 31 ASN H H 13.817 2.748 -2.434 1.00 . A A . 31 ASN H 1 1 9 4637 1 1 31 ASN HA H 16.183 1.915 -0.999 1.00 . A A . 31 ASN HA 1 1 9 4638 1 1 31 ASN HB2 H 14.187 0.448 -1.166 1.00 . A A . 31 ASN HB2 1 1 9 4639 1 1 31 ASN HB3 H 14.456 0.318 -2.902 1.00 . A A . 31 ASN HB3 1 1 9 4640 1 1 31 ASN HD21 H 16.118 -0.943 -3.663 1.00 . A A . 31 ASN HD21 1 1 9 4641 1 1 31 ASN HD22 H 17.007 -2.031 -2.659 1.00 . A A . 31 ASN HD22 1 1 9 4642 1 1 31 ASN N N 14.687 2.904 -2.013 1.00 . A A . 31 ASN N 1 1 9 4643 1 1 31 ASN ND2 N 16.388 -1.282 -2.784 1.00 . A A . 31 ASN ND2 1 1 9 4644 1 1 31 ASN O O 17.757 1.348 -2.982 1.00 . A A . 31 ASN O 1 1 9 4645 1 1 31 ASN OD1 O 16.172 -1.054 -0.562 1.00 . A A . 31 ASN OD1 1 1 9 4646 1 1 32 GLY C C 18.302 3.597 -5.061 1.00 . A A . 32 GLY C 1 1 9 4647 1 1 32 GLY CA C 17.136 2.662 -5.317 1.00 . A A . 32 GLY CA 1 1 9 4648 1 1 32 GLY H H 15.366 2.940 -4.191 1.00 . A A . 32 GLY H 1 1 9 4649 1 1 32 GLY HA2 H 17.521 1.684 -5.568 1.00 . A A . 32 GLY HA2 1 1 9 4650 1 1 32 GLY HA3 H 16.566 3.036 -6.154 1.00 . A A . 32 GLY HA3 1 1 9 4651 1 1 32 GLY N N 16.258 2.537 -4.167 1.00 . A A . 32 GLY N 1 1 9 4652 1 1 32 GLY O O 19.414 3.151 -4.783 1.00 . A A . 32 GLY O 1 1 9 4653 1 1 33 GLY C C 18.784 7.220 -5.569 1.00 . A A . 33 GLY C 1 1 9 4654 1 1 33 GLY CA C 19.093 5.879 -4.928 1.00 . A A . 33 GLY CA 1 1 9 4655 1 1 33 GLY H H 17.140 5.197 -5.381 1.00 . A A . 33 GLY H 1 1 9 4656 1 1 33 GLY HA2 H 19.213 6.020 -3.864 1.00 . A A . 33 GLY HA2 1 1 9 4657 1 1 33 GLY HA3 H 20.018 5.502 -5.337 1.00 . A A . 33 GLY HA3 1 1 9 4658 1 1 33 GLY N N 18.046 4.899 -5.155 1.00 . A A . 33 GLY N 1 1 9 4659 1 1 33 GLY O O 18.771 7.341 -6.794 1.00 . A A . 33 GLY O 1 1 9 4660 1 1 34 ASN C C 19.490 10.404 -5.391 1.00 . A A . 34 ASN C 1 1 9 4661 1 1 34 ASN CA C 18.224 9.567 -5.231 1.00 . A A . 34 ASN CA 1 1 9 4662 1 1 34 ASN CB C 17.252 10.271 -4.282 1.00 . A A . 34 ASN CB 1 1 9 4663 1 1 34 ASN CG C 16.729 11.573 -4.856 1.00 . A A . 34 ASN CG 1 1 9 4664 1 1 34 ASN H H 18.560 8.070 -3.773 1.00 . A A . 34 ASN H 1 1 9 4665 1 1 34 ASN HA H 17.754 9.462 -6.198 1.00 . A A . 34 ASN HA 1 1 9 4666 1 1 34 ASN HB2 H 16.412 9.620 -4.090 1.00 . A A . 34 ASN HB2 1 1 9 4667 1 1 34 ASN HB3 H 17.758 10.486 -3.352 1.00 . A A . 34 ASN HB3 1 1 9 4668 1 1 34 ASN HD21 H 15.113 10.648 -5.553 1.00 . A A . 34 ASN HD21 1 1 9 4669 1 1 34 ASN HD22 H 15.202 12.343 -5.871 1.00 . A A . 34 ASN HD22 1 1 9 4670 1 1 34 ASN N N 18.535 8.229 -4.739 1.00 . A A . 34 ASN N 1 1 9 4671 1 1 34 ASN ND2 N 15.564 11.516 -5.492 1.00 . A A . 34 ASN ND2 1 1 9 4672 1 1 34 ASN O O 19.538 11.324 -6.207 1.00 . A A . 34 ASN O 1 1 9 4673 1 1 34 ASN OD1 O 17.364 12.621 -4.731 1.00 . A A . 34 ASN OD1 1 1 9 4674 1 1 35 GLY C C 21.834 11.940 -3.642 1.00 . A A . 35 GLY C 1 1 9 4675 1 1 35 GLY CA C 21.763 10.825 -4.671 1.00 . A A . 35 GLY CA 1 1 9 4676 1 1 35 GLY H H 20.416 9.349 -3.964 1.00 . A A . 35 GLY H 1 1 9 4677 1 1 35 GLY HA2 H 22.581 10.141 -4.500 1.00 . A A . 35 GLY HA2 1 1 9 4678 1 1 35 GLY HA3 H 21.865 11.252 -5.659 1.00 . A A . 35 GLY HA3 1 1 9 4679 1 1 35 GLY N N 20.513 10.087 -4.601 1.00 . A A . 35 GLY N 1 1 9 4680 1 1 35 GLY O O 21.802 11.684 -2.439 1.00 . A A . 35 GLY O 1 1 9 4681 1 1 36 PHE C C 21.703 15.627 -3.966 1.00 . A A . 36 PHE C 1 1 9 4682 1 1 36 PHE CA C 22.010 14.331 -3.220 1.00 . A A . 36 PHE CA 1 1 9 4683 1 1 36 PHE CB C 23.393 14.411 -2.572 1.00 . A A . 36 PHE CB 1 1 9 4684 1 1 36 PHE CD1 C 25.074 13.180 -3.950 1.00 . A A . 36 PHE CD1 1 1 9 4685 1 1 36 PHE CD2 C 25.012 15.555 -4.098 1.00 . A A . 36 PHE CD2 1 1 9 4686 1 1 36 PHE CE1 C 26.111 13.146 -4.862 1.00 . A A . 36 PHE CE1 1 1 9 4687 1 1 36 PHE CE2 C 26.050 15.530 -5.010 1.00 . A A . 36 PHE CE2 1 1 9 4688 1 1 36 PHE CG C 24.517 14.382 -3.560 1.00 . A A . 36 PHE CG 1 1 9 4689 1 1 36 PHE CZ C 26.600 14.324 -5.393 1.00 . A A . 36 PHE CZ 1 1 9 4690 1 1 36 PHE H H 21.958 13.324 -5.083 1.00 . A A . 36 PHE H 1 1 9 4691 1 1 36 PHE HA H 21.272 14.196 -2.447 1.00 . A A . 36 PHE HA 1 1 9 4692 1 1 36 PHE HB2 H 23.468 15.331 -2.010 1.00 . A A . 36 PHE HB2 1 1 9 4693 1 1 36 PHE HB3 H 23.519 13.573 -1.901 1.00 . A A . 36 PHE HB3 1 1 9 4694 1 1 36 PHE HD1 H 24.686 12.262 -3.534 1.00 . A A . 36 PHE HD1 1 1 9 4695 1 1 36 PHE HD2 H 24.581 16.497 -3.796 1.00 . A A . 36 PHE HD2 1 1 9 4696 1 1 36 PHE HE1 H 26.540 12.200 -5.160 1.00 . A A . 36 PHE HE1 1 1 9 4697 1 1 36 PHE HE2 H 26.428 16.454 -5.424 1.00 . A A . 36 PHE HE2 1 1 9 4698 1 1 36 PHE HZ H 27.411 14.301 -6.106 1.00 . A A . 36 PHE HZ 1 1 9 4699 1 1 36 PHE N N 21.934 13.179 -4.114 1.00 . A A . 36 PHE N 1 1 9 4700 1 1 36 PHE O O 22.404 16.627 -3.807 1.00 . A A . 36 PHE O 1 1 9 4701 1 1 37 TRP C C 18.809 16.639 -6.042 1.00 . A A . 37 TRP C 1 1 9 4702 1 1 37 TRP CA C 20.243 16.782 -5.543 1.00 . A A . 37 TRP CA 1 1 9 4703 1 1 37 TRP CB C 21.185 17.007 -6.727 1.00 . A A . 37 TRP CB 1 1 9 4704 1 1 37 TRP CD1 C 22.158 19.374 -6.820 1.00 . A A . 37 TRP CD1 1 1 9 4705 1 1 37 TRP CD2 C 20.338 19.079 -8.090 1.00 . A A . 37 TRP CD2 1 1 9 4706 1 1 37 TRP CE2 C 20.771 20.412 -8.229 1.00 . A A . 37 TRP CE2 1 1 9 4707 1 1 37 TRP CE3 C 19.207 18.662 -8.798 1.00 . A A . 37 TRP CE3 1 1 9 4708 1 1 37 TRP CG C 21.240 18.433 -7.185 1.00 . A A . 37 TRP CG 1 1 9 4709 1 1 37 TRP CH2 C 19.009 20.893 -9.725 1.00 . A A . 37 TRP CH2 1 1 9 4710 1 1 37 TRP CZ2 C 20.112 21.328 -9.044 1.00 . A A . 37 TRP CZ2 1 1 9 4711 1 1 37 TRP CZ3 C 18.554 19.574 -9.608 1.00 . A A . 37 TRP CZ3 1 1 9 4712 1 1 37 TRP H H 20.127 14.779 -4.860 1.00 . A A . 37 TRP H 1 1 9 4713 1 1 37 TRP HA H 20.296 17.638 -4.885 1.00 . A A . 37 TRP HA 1 1 9 4714 1 1 37 TRP HB2 H 22.183 16.714 -6.445 1.00 . A A . 37 TRP HB2 1 1 9 4715 1 1 37 TRP HB3 H 20.857 16.401 -7.559 1.00 . A A . 37 TRP HB3 1 1 9 4716 1 1 37 TRP HD1 H 22.977 19.194 -6.140 1.00 . A A . 37 TRP HD1 1 1 9 4717 1 1 37 TRP HE1 H 22.399 21.394 -7.343 1.00 . A A . 37 TRP HE1 1 1 9 4718 1 1 37 TRP HE3 H 18.841 17.649 -8.720 1.00 . A A . 37 TRP HE3 1 1 9 4719 1 1 37 TRP HH2 H 18.467 21.570 -10.368 1.00 . A A . 37 TRP HH2 1 1 9 4720 1 1 37 TRP HZ2 H 20.450 22.349 -9.147 1.00 . A A . 37 TRP HZ2 1 1 9 4721 1 1 37 TRP HZ3 H 17.679 19.269 -10.161 1.00 . A A . 37 TRP HZ3 1 1 9 4722 1 1 37 TRP N N 20.649 15.605 -4.777 1.00 . A A . 37 TRP N 1 1 9 4723 1 1 37 TRP NE1 N 21.883 20.567 -7.444 1.00 . A A . 37 TRP NE1 1 1 9 4724 1 1 37 TRP O O 17.938 17.394 -5.562 1.00 . A A . 37 TRP O 1 1 9 4725 1 1 37 TRP OXT O 18.570 15.773 -6.909 1.00 . A A . 37 TRP OXT 1 1 10 4726 1 1 1 LYS C C -6.503 -4.482 5.850 1.00 . A A . 1 LYS C 1 1 10 4727 1 1 1 LYS CA C -7.540 -5.323 6.579 1.00 . A A . 1 LYS CA 1 1 10 4728 1 1 1 LYS CB C -8.201 -6.282 5.586 1.00 . A A . 1 LYS CB 1 1 10 4729 1 1 1 LYS CD C -10.100 -6.454 3.947 1.00 . A A . 1 LYS CD 1 1 10 4730 1 1 1 LYS CE C -9.553 -7.736 3.342 1.00 . A A . 1 LYS CE 1 1 10 4731 1 1 1 LYS CG C -8.984 -5.576 4.489 1.00 . A A . 1 LYS CG 1 1 10 4732 1 1 1 LYS HA H -7.057 -5.892 7.358 1.00 . A A . 1 LYS HA 1 1 10 4733 1 1 1 LYS HB2 H -7.433 -6.878 5.117 1.00 . A A . 1 LYS HB2 1 1 10 4734 1 1 1 LYS HB3 H -8.877 -6.931 6.120 1.00 . A A . 1 LYS HB3 1 1 10 4735 1 1 1 LYS HD2 H -10.770 -6.707 4.754 1.00 . A A . 1 LYS HD2 1 1 10 4736 1 1 1 LYS HD3 H -10.637 -5.907 3.186 1.00 . A A . 1 LYS HD3 1 1 10 4737 1 1 1 LYS HE2 H -9.105 -7.505 2.386 1.00 . A A . 1 LYS HE2 1 1 10 4738 1 1 1 LYS HE3 H -8.799 -8.138 4.003 1.00 . A A . 1 LYS HE3 1 1 10 4739 1 1 1 LYS HG2 H -9.413 -4.672 4.891 1.00 . A A . 1 LYS HG2 1 1 10 4740 1 1 1 LYS HG3 H -8.308 -5.329 3.682 1.00 . A A . 1 LYS HG3 1 1 10 4741 1 1 1 LYS HZ1 H -11.348 -8.659 3.881 1.00 . A A . 1 LYS HZ1 1 1 10 4742 1 1 1 LYS HZ2 H -10.214 -9.713 3.200 1.00 . A A . 1 LYS HZ2 1 1 10 4743 1 1 1 LYS HZ3 H -11.064 -8.634 2.213 1.00 . A A . 1 LYS HZ3 1 1 10 4744 1 1 1 LYS N N -8.593 -4.467 7.189 1.00 . A A . 1 LYS N 1 1 10 4745 1 1 1 LYS NZ N -10.619 -8.757 3.145 1.00 . A A . 1 LYS NZ 1 1 10 4746 1 1 1 LYS O O -6.803 -3.873 4.828 1.00 . A A . 1 LYS O 1 1 10 4747 1 1 2 TYR C C -3.624 -4.476 4.583 1.00 . A A . 2 TYR C 1 1 10 4748 1 1 2 TYR CA C -4.224 -3.685 5.735 1.00 . A A . 2 TYR CA 1 1 10 4749 1 1 2 TYR CB C -3.136 -3.333 6.733 1.00 . A A . 2 TYR CB 1 1 10 4750 1 1 2 TYR CD1 C -3.595 -0.957 7.270 1.00 . A A . 2 TYR CD1 1 1 10 4751 1 1 2 TYR CD2 C -1.627 -1.444 6.045 1.00 . A A . 2 TYR CD2 1 1 10 4752 1 1 2 TYR CE1 C -3.292 0.386 7.237 1.00 . A A . 2 TYR CE1 1 1 10 4753 1 1 2 TYR CE2 C -1.312 -0.107 5.999 1.00 . A A . 2 TYR CE2 1 1 10 4754 1 1 2 TYR CG C -2.773 -1.883 6.681 1.00 . A A . 2 TYR CG 1 1 10 4755 1 1 2 TYR CZ C -2.151 0.809 6.598 1.00 . A A . 2 TYR CZ 1 1 10 4756 1 1 2 TYR H H -5.084 -4.953 7.184 1.00 . A A . 2 TYR H 1 1 10 4757 1 1 2 TYR HA H -4.659 -2.766 5.361 1.00 . A A . 2 TYR HA 1 1 10 4758 1 1 2 TYR HB2 H -3.485 -3.549 7.729 1.00 . A A . 2 TYR HB2 1 1 10 4759 1 1 2 TYR HB3 H -2.250 -3.908 6.523 1.00 . A A . 2 TYR HB3 1 1 10 4760 1 1 2 TYR HD1 H -4.494 -1.305 7.751 1.00 . A A . 2 TYR HD1 1 1 10 4761 1 1 2 TYR HD2 H -0.976 -2.162 5.579 1.00 . A A . 2 TYR HD2 1 1 10 4762 1 1 2 TYR HE1 H -3.950 1.099 7.705 1.00 . A A . 2 TYR HE1 1 1 10 4763 1 1 2 TYR HE2 H -0.421 0.216 5.488 1.00 . A A . 2 TYR HE2 1 1 10 4764 1 1 2 TYR HH H -1.874 2.507 7.453 1.00 . A A . 2 TYR HH 1 1 10 4765 1 1 2 TYR N N -5.278 -4.453 6.367 1.00 . A A . 2 TYR N 1 1 10 4766 1 1 2 TYR O O -3.425 -5.685 4.691 1.00 . A A . 2 TYR O 1 1 10 4767 1 1 2 TYR OH O -1.846 2.148 6.563 1.00 . A A . 2 TYR OH 1 1 10 4768 1 1 3 TYR C C -1.284 -4.134 2.167 1.00 . A A . 3 TYR C 1 1 10 4769 1 1 3 TYR CA C -2.766 -4.455 2.311 1.00 . A A . 3 TYR CA 1 1 10 4770 1 1 3 TYR CB C -3.524 -4.025 1.051 1.00 . A A . 3 TYR CB 1 1 10 4771 1 1 3 TYR CD1 C -4.551 -6.174 0.232 1.00 . A A . 3 TYR CD1 1 1 10 4772 1 1 3 TYR CD2 C -6.012 -4.445 0.971 1.00 . A A . 3 TYR CD2 1 1 10 4773 1 1 3 TYR CE1 C -5.639 -6.981 -0.044 1.00 . A A . 3 TYR CE1 1 1 10 4774 1 1 3 TYR CE2 C -7.106 -5.243 0.699 1.00 . A A . 3 TYR CE2 1 1 10 4775 1 1 3 TYR CG C -4.719 -4.897 0.743 1.00 . A A . 3 TYR CG 1 1 10 4776 1 1 3 TYR CZ C -6.915 -6.511 0.192 1.00 . A A . 3 TYR CZ 1 1 10 4777 1 1 3 TYR H H -3.510 -2.825 3.457 1.00 . A A . 3 TYR H 1 1 10 4778 1 1 3 TYR HA H -2.880 -5.524 2.441 1.00 . A A . 3 TYR HA 1 1 10 4779 1 1 3 TYR HB2 H -3.880 -3.015 1.183 1.00 . A A . 3 TYR HB2 1 1 10 4780 1 1 3 TYR HB3 H -2.858 -4.063 0.200 1.00 . A A . 3 TYR HB3 1 1 10 4781 1 1 3 TYR HD1 H -3.551 -6.537 0.050 1.00 . A A . 3 TYR HD1 1 1 10 4782 1 1 3 TYR HD2 H -6.157 -3.456 1.373 1.00 . A A . 3 TYR HD2 1 1 10 4783 1 1 3 TYR HE1 H -5.486 -7.973 -0.438 1.00 . A A . 3 TYR HE1 1 1 10 4784 1 1 3 TYR HE2 H -8.104 -4.872 0.882 1.00 . A A . 3 TYR HE2 1 1 10 4785 1 1 3 TYR HH H -8.491 -6.941 -0.822 1.00 . A A . 3 TYR HH 1 1 10 4786 1 1 3 TYR N N -3.335 -3.794 3.484 1.00 . A A . 3 TYR N 1 1 10 4787 1 1 3 TYR O O -0.783 -3.979 1.054 1.00 . A A . 3 TYR O 1 1 10 4788 1 1 3 TYR OH O -8.002 -7.309 -0.083 1.00 . A A . 3 TYR OH 1 1 10 4789 1 1 4 GLY C C 1.175 -2.607 2.276 1.00 . A A . 4 GLY C 1 1 10 4790 1 1 4 GLY CA C 0.828 -3.695 3.281 1.00 . A A . 4 GLY CA 1 1 10 4791 1 1 4 GLY H H -1.052 -4.130 4.158 1.00 . A A . 4 GLY H 1 1 10 4792 1 1 4 GLY HA2 H 1.119 -3.367 4.267 1.00 . A A . 4 GLY HA2 1 1 10 4793 1 1 4 GLY HA3 H 1.383 -4.594 3.034 1.00 . A A . 4 GLY HA3 1 1 10 4794 1 1 4 GLY N N -0.593 -4.012 3.300 1.00 . A A . 4 GLY N 1 1 10 4795 1 1 4 GLY O O 2.313 -2.515 1.818 1.00 . A A . 4 GLY O 1 1 10 4796 1 1 5 ASN C C -0.521 0.468 1.336 1.00 . A A . 5 ASN C 1 1 10 4797 1 1 5 ASN CA C 0.364 -0.711 0.967 1.00 . A A . 5 ASN CA 1 1 10 4798 1 1 5 ASN CB C 0.014 -1.193 -0.443 1.00 . A A . 5 ASN CB 1 1 10 4799 1 1 5 ASN CG C 1.176 -1.893 -1.121 1.00 . A A . 5 ASN CG 1 1 10 4800 1 1 5 ASN H H -0.704 -1.922 2.323 1.00 . A A . 5 ASN H 1 1 10 4801 1 1 5 ASN HA H 1.398 -0.399 0.995 1.00 . A A . 5 ASN HA 1 1 10 4802 1 1 5 ASN HB2 H -0.816 -1.883 -0.386 1.00 . A A . 5 ASN HB2 1 1 10 4803 1 1 5 ASN HB3 H -0.274 -0.344 -1.046 1.00 . A A . 5 ASN HB3 1 1 10 4804 1 1 5 ASN HD21 H -0.071 -3.177 -1.988 1.00 . A A . 5 ASN HD21 1 1 10 4805 1 1 5 ASN HD22 H 1.603 -3.396 -2.350 1.00 . A A . 5 ASN HD22 1 1 10 4806 1 1 5 ASN N N 0.181 -1.792 1.926 1.00 . A A . 5 ASN N 1 1 10 4807 1 1 5 ASN ND2 N 0.872 -2.927 -1.897 1.00 . A A . 5 ASN ND2 1 1 10 4808 1 1 5 ASN O O -1.030 1.170 0.464 1.00 . A A . 5 ASN O 1 1 10 4809 1 1 5 ASN OD1 O 2.332 -1.510 -0.949 1.00 . A A . 5 ASN OD1 1 1 10 4810 1 1 6 GLY C C -2.951 1.679 2.454 1.00 . A A . 6 GLY C 1 1 10 4811 1 1 6 GLY CA C -1.573 1.753 3.077 1.00 . A A . 6 GLY CA 1 1 10 4812 1 1 6 GLY H H -0.308 0.069 3.287 1.00 . A A . 6 GLY H 1 1 10 4813 1 1 6 GLY HA2 H -1.669 1.706 4.151 1.00 . A A . 6 GLY HA2 1 1 10 4814 1 1 6 GLY HA3 H -1.118 2.689 2.805 1.00 . A A . 6 GLY HA3 1 1 10 4815 1 1 6 GLY N N -0.723 0.669 2.632 1.00 . A A . 6 GLY N 1 1 10 4816 1 1 6 GLY O O -3.428 2.649 1.876 1.00 . A A . 6 GLY O 1 1 10 4817 1 1 7 VAL C C -5.702 -0.676 2.866 1.00 . A A . 7 VAL C 1 1 10 4818 1 1 7 VAL CA C -4.920 0.305 2.014 1.00 . A A . 7 VAL CA 1 1 10 4819 1 1 7 VAL CB C -4.886 -0.217 0.570 1.00 . A A . 7 VAL CB 1 1 10 4820 1 1 7 VAL CG1 C -6.237 -0.780 0.205 1.00 . A A . 7 VAL CG1 1 1 10 4821 1 1 7 VAL CG2 C -4.535 0.894 -0.392 1.00 . A A . 7 VAL CG2 1 1 10 4822 1 1 7 VAL H H -3.142 -0.220 3.034 1.00 . A A . 7 VAL H 1 1 10 4823 1 1 7 VAL HA H -5.445 1.249 2.010 1.00 . A A . 7 VAL HA 1 1 10 4824 1 1 7 VAL HB H -4.146 -0.998 0.494 1.00 . A A . 7 VAL HB 1 1 10 4825 1 1 7 VAL HG11 H -6.995 -0.094 0.555 1.00 . A A . 7 VAL HG11 1 1 10 4826 1 1 7 VAL HG12 H -6.368 -1.739 0.677 1.00 . A A . 7 VAL HG12 1 1 10 4827 1 1 7 VAL HG13 H -6.307 -0.883 -0.865 1.00 . A A . 7 VAL HG13 1 1 10 4828 1 1 7 VAL HG21 H -4.144 1.732 0.158 1.00 . A A . 7 VAL HG21 1 1 10 4829 1 1 7 VAL HG22 H -5.430 1.195 -0.920 1.00 . A A . 7 VAL HG22 1 1 10 4830 1 1 7 VAL HG23 H -3.798 0.543 -1.097 1.00 . A A . 7 VAL HG23 1 1 10 4831 1 1 7 VAL N N -3.585 0.517 2.565 1.00 . A A . 7 VAL N 1 1 10 4832 1 1 7 VAL O O -5.456 -1.883 2.830 1.00 . A A . 7 VAL O 1 1 10 4833 1 1 8 HIS C C -8.921 -0.912 4.023 1.00 . A A . 8 HIS C 1 1 10 4834 1 1 8 HIS CA C -7.480 -0.971 4.477 1.00 . A A . 8 HIS CA 1 1 10 4835 1 1 8 HIS CB C -7.373 -0.526 5.941 1.00 . A A . 8 HIS CB 1 1 10 4836 1 1 8 HIS CD2 C -5.405 1.122 5.626 1.00 . A A . 8 HIS CD2 1 1 10 4837 1 1 8 HIS CE1 C -6.151 2.761 6.872 1.00 . A A . 8 HIS CE1 1 1 10 4838 1 1 8 HIS CG C -6.600 0.740 6.127 1.00 . A A . 8 HIS CG 1 1 10 4839 1 1 8 HIS H H -6.798 0.819 3.595 1.00 . A A . 8 HIS H 1 1 10 4840 1 1 8 HIS HA H -7.136 -1.985 4.391 1.00 . A A . 8 HIS HA 1 1 10 4841 1 1 8 HIS HB2 H -8.364 -0.369 6.338 1.00 . A A . 8 HIS HB2 1 1 10 4842 1 1 8 HIS HB3 H -6.883 -1.303 6.509 1.00 . A A . 8 HIS HB3 1 1 10 4843 1 1 8 HIS HD1 H -7.884 1.815 7.405 1.00 . A A . 8 HIS HD1 1 1 10 4844 1 1 8 HIS HD2 H -4.758 0.529 4.986 1.00 . A A . 8 HIS HD2 1 1 10 4845 1 1 8 HIS HE1 H -6.225 3.704 7.392 1.00 . A A . 8 HIS HE1 1 1 10 4846 1 1 8 HIS HE2 H -4.289 2.846 6.034 1.00 . A A . 8 HIS HE2 1 1 10 4847 1 1 8 HIS N N -6.649 -0.150 3.620 1.00 . A A . 8 HIS N 1 1 10 4848 1 1 8 HIS ND1 N -7.041 1.788 6.904 1.00 . A A . 8 HIS ND1 1 1 10 4849 1 1 8 HIS NE2 N -5.147 2.381 6.102 1.00 . A A . 8 HIS NE2 1 1 10 4850 1 1 8 HIS O O -9.342 0.040 3.369 1.00 . A A . 8 HIS O 1 1 10 4851 1 1 9 CYS C C -11.900 -2.268 5.243 1.00 . A A . 9 CYS C 1 1 10 4852 1 1 9 CYS CA C -11.071 -1.992 4.006 1.00 . A A . 9 CYS CA 1 1 10 4853 1 1 9 CYS CB C -11.308 -3.049 2.934 1.00 . A A . 9 CYS CB 1 1 10 4854 1 1 9 CYS H H -9.284 -2.665 4.891 1.00 . A A . 9 CYS H 1 1 10 4855 1 1 9 CYS HA H -11.343 -1.027 3.620 1.00 . A A . 9 CYS HA 1 1 10 4856 1 1 9 CYS HB2 H -11.339 -4.019 3.399 1.00 . A A . 9 CYS HB2 1 1 10 4857 1 1 9 CYS HB3 H -12.253 -2.848 2.459 1.00 . A A . 9 CYS HB3 1 1 10 4858 1 1 9 CYS N N -9.676 -1.933 4.370 1.00 . A A . 9 CYS N 1 1 10 4859 1 1 9 CYS O O -12.279 -3.406 5.521 1.00 . A A . 9 CYS O 1 1 10 4860 1 1 9 CYS SG S -10.036 -3.100 1.630 1.00 . A A . 9 CYS SG 1 1 10 4861 1 1 10 THR C C -14.374 -0.972 7.028 1.00 . A A . 10 THR C 1 1 10 4862 1 1 10 THR CA C -12.910 -1.311 7.235 1.00 . A A . 10 THR CA 1 1 10 4863 1 1 10 THR CB C -12.312 -0.391 8.309 1.00 . A A . 10 THR CB 1 1 10 4864 1 1 10 THR CG2 C -10.810 -0.231 8.206 1.00 . A A . 10 THR CG2 1 1 10 4865 1 1 10 THR H H -11.801 -0.334 5.715 1.00 . A A . 10 THR H 1 1 10 4866 1 1 10 THR HA H -12.850 -2.328 7.576 1.00 . A A . 10 THR HA 1 1 10 4867 1 1 10 THR HB H -12.535 -0.802 9.283 1.00 . A A . 10 THR HB 1 1 10 4868 1 1 10 THR HG1 H -12.960 1.167 7.314 1.00 . A A . 10 THR HG1 1 1 10 4869 1 1 10 THR HG21 H -10.341 -1.204 8.241 1.00 . A A . 10 THR HG21 1 1 10 4870 1 1 10 THR HG22 H -10.456 0.370 9.031 1.00 . A A . 10 THR HG22 1 1 10 4871 1 1 10 THR HG23 H -10.564 0.255 7.275 1.00 . A A . 10 THR HG23 1 1 10 4872 1 1 10 THR N N -12.152 -1.208 5.996 1.00 . A A . 10 THR N 1 1 10 4873 1 1 10 THR O O -14.705 0.084 6.493 1.00 . A A . 10 THR O 1 1 10 4874 1 1 10 THR OG1 O -12.881 0.905 8.235 1.00 . A A . 10 THR OG1 1 1 10 4875 1 1 11 LYS C C -17.228 -2.391 6.105 1.00 . A A . 11 LYS C 1 1 10 4876 1 1 11 LYS CA C -16.688 -1.756 7.383 1.00 . A A . 11 LYS CA 1 1 10 4877 1 1 11 LYS CB C -17.136 -0.291 7.484 1.00 . A A . 11 LYS CB 1 1 10 4878 1 1 11 LYS CD C -17.731 0.762 9.689 1.00 . A A . 11 LYS CD 1 1 10 4879 1 1 11 LYS CE C -17.969 -0.373 10.672 1.00 . A A . 11 LYS CE 1 1 10 4880 1 1 11 LYS CG C -16.613 0.426 8.714 1.00 . A A . 11 LYS CG 1 1 10 4881 1 1 11 LYS H H -14.870 -2.703 7.893 1.00 . A A . 11 LYS H 1 1 10 4882 1 1 11 LYS HA H -17.106 -2.295 8.220 1.00 . A A . 11 LYS HA 1 1 10 4883 1 1 11 LYS HB2 H -16.796 0.244 6.613 1.00 . A A . 11 LYS HB2 1 1 10 4884 1 1 11 LYS HB3 H -18.213 -0.263 7.510 1.00 . A A . 11 LYS HB3 1 1 10 4885 1 1 11 LYS HD2 H -17.463 1.650 10.239 1.00 . A A . 11 LYS HD2 1 1 10 4886 1 1 11 LYS HD3 H -18.639 0.940 9.131 1.00 . A A . 11 LYS HD3 1 1 10 4887 1 1 11 LYS HE2 H -18.759 -1.004 10.290 1.00 . A A . 11 LYS HE2 1 1 10 4888 1 1 11 LYS HE3 H -17.061 -0.951 10.761 1.00 . A A . 11 LYS HE3 1 1 10 4889 1 1 11 LYS HG2 H -15.897 -0.207 9.212 1.00 . A A . 11 LYS HG2 1 1 10 4890 1 1 11 LYS HG3 H -16.132 1.341 8.401 1.00 . A A . 11 LYS HG3 1 1 10 4891 1 1 11 LYS HZ1 H -19.074 -0.498 12.440 1.00 . A A . 11 LYS HZ1 1 1 10 4892 1 1 11 LYS HZ2 H -18.756 1.087 11.941 1.00 . A A . 11 LYS HZ2 1 1 10 4893 1 1 11 LYS HZ3 H -17.528 0.159 12.642 1.00 . A A . 11 LYS HZ3 1 1 10 4894 1 1 11 LYS N N -15.233 -1.894 7.475 1.00 . A A . 11 LYS N 1 1 10 4895 1 1 11 LYS NZ N -18.359 0.129 12.018 1.00 . A A . 11 LYS NZ 1 1 10 4896 1 1 11 LYS O O -17.653 -3.547 6.109 1.00 . A A . 11 LYS O 1 1 10 4897 1 1 12 SER C C -17.041 -1.452 2.558 1.00 . A A . 12 SER C 1 1 10 4898 1 1 12 SER CA C -17.731 -2.127 3.741 1.00 . A A . 12 SER CA 1 1 10 4899 1 1 12 SER CB C -19.240 -1.907 3.649 1.00 . A A . 12 SER CB 1 1 10 4900 1 1 12 SER H H -16.885 -0.710 5.075 1.00 . A A . 12 SER H 1 1 10 4901 1 1 12 SER HA H -17.531 -3.187 3.700 1.00 . A A . 12 SER HA 1 1 10 4902 1 1 12 SER HB2 H -19.612 -2.355 2.739 1.00 . A A . 12 SER HB2 1 1 10 4903 1 1 12 SER HB3 H -19.721 -2.367 4.499 1.00 . A A . 12 SER HB3 1 1 10 4904 1 1 12 SER HG H -20.392 -0.391 3.193 1.00 . A A . 12 SER HG 1 1 10 4905 1 1 12 SER N N -17.225 -1.629 5.016 1.00 . A A . 12 SER N 1 1 10 4906 1 1 12 SER O O -17.616 -1.348 1.474 1.00 . A A . 12 SER O 1 1 10 4907 1 1 12 SER OG O -19.552 -0.525 3.637 1.00 . A A . 12 SER OG 1 1 10 4908 1 1 13 GLY C C -13.621 -0.147 2.025 1.00 . A A . 13 GLY C 1 1 10 4909 1 1 13 GLY CA C -15.086 -0.330 1.700 1.00 . A A . 13 GLY CA 1 1 10 4910 1 1 13 GLY H H -15.402 -1.095 3.650 1.00 . A A . 13 GLY H 1 1 10 4911 1 1 13 GLY HA2 H -15.171 -0.923 0.801 1.00 . A A . 13 GLY HA2 1 1 10 4912 1 1 13 GLY HA3 H -15.529 0.639 1.522 1.00 . A A . 13 GLY HA3 1 1 10 4913 1 1 13 GLY N N -15.815 -0.990 2.767 1.00 . A A . 13 GLY N 1 1 10 4914 1 1 13 GLY O O -13.232 -0.164 3.193 1.00 . A A . 13 GLY O 1 1 10 4915 1 1 14 CYS C C -10.995 1.681 1.180 1.00 . A A . 14 CYS C 1 1 10 4916 1 1 14 CYS CA C -11.374 0.212 1.180 1.00 . A A . 14 CYS CA 1 1 10 4917 1 1 14 CYS CB C -10.584 -0.534 0.115 1.00 . A A . 14 CYS CB 1 1 10 4918 1 1 14 CYS H H -13.171 0.028 0.084 1.00 . A A . 14 CYS H 1 1 10 4919 1 1 14 CYS HA H -11.108 -0.188 2.135 1.00 . A A . 14 CYS HA 1 1 10 4920 1 1 14 CYS HB2 H -10.783 -0.095 -0.848 1.00 . A A . 14 CYS HB2 1 1 10 4921 1 1 14 CYS HB3 H -9.534 -0.443 0.344 1.00 . A A . 14 CYS HB3 1 1 10 4922 1 1 14 CYS N N -12.803 0.026 0.993 1.00 . A A . 14 CYS N 1 1 10 4923 1 1 14 CYS O O -11.508 2.478 0.396 1.00 . A A . 14 CYS O 1 1 10 4924 1 1 14 CYS SG S -10.973 -2.310 0.011 1.00 . A A . 14 CYS SG 1 1 10 4925 1 1 15 SER C C -8.055 3.362 2.220 1.00 . A A . 15 SER C 1 1 10 4926 1 1 15 SER CA C -9.576 3.372 2.202 1.00 . A A . 15 SER CA 1 1 10 4927 1 1 15 SER CB C -10.117 4.020 3.478 1.00 . A A . 15 SER CB 1 1 10 4928 1 1 15 SER H H -9.705 1.305 2.647 1.00 . A A . 15 SER H 1 1 10 4929 1 1 15 SER HA H -9.912 3.937 1.345 1.00 . A A . 15 SER HA 1 1 10 4930 1 1 15 SER HB2 H -11.125 3.675 3.656 1.00 . A A . 15 SER HB2 1 1 10 4931 1 1 15 SER HB3 H -9.491 3.745 4.313 1.00 . A A . 15 SER HB3 1 1 10 4932 1 1 15 SER HG H -10.587 5.809 4.124 1.00 . A A . 15 SER HG 1 1 10 4933 1 1 15 SER N N -10.073 2.011 2.067 1.00 . A A . 15 SER N 1 1 10 4934 1 1 15 SER O O -7.440 2.295 2.214 1.00 . A A . 15 SER O 1 1 10 4935 1 1 15 SER OG O -10.135 5.434 3.365 1.00 . A A . 15 SER OG 1 1 10 4936 1 1 16 VAL C C -5.514 5.710 3.205 1.00 . A A . 16 VAL C 1 1 10 4937 1 1 16 VAL CA C -5.999 4.647 2.226 1.00 . A A . 16 VAL CA 1 1 10 4938 1 1 16 VAL CB C -5.453 4.988 0.826 1.00 . A A . 16 VAL CB 1 1 10 4939 1 1 16 VAL CG1 C -3.943 5.101 0.851 1.00 . A A . 16 VAL CG1 1 1 10 4940 1 1 16 VAL CG2 C -5.856 3.947 -0.182 1.00 . A A . 16 VAL CG2 1 1 10 4941 1 1 16 VAL H H -7.991 5.359 2.210 1.00 . A A . 16 VAL H 1 1 10 4942 1 1 16 VAL HA H -5.597 3.689 2.519 1.00 . A A . 16 VAL HA 1 1 10 4943 1 1 16 VAL HB H -5.864 5.939 0.520 1.00 . A A . 16 VAL HB 1 1 10 4944 1 1 16 VAL HG11 H -3.563 4.583 1.716 1.00 . A A . 16 VAL HG11 1 1 10 4945 1 1 16 VAL HG12 H -3.665 6.137 0.898 1.00 . A A . 16 VAL HG12 1 1 10 4946 1 1 16 VAL HG13 H -3.534 4.651 -0.044 1.00 . A A . 16 VAL HG13 1 1 10 4947 1 1 16 VAL HG21 H -6.004 3.006 0.327 1.00 . A A . 16 VAL HG21 1 1 10 4948 1 1 16 VAL HG22 H -5.065 3.848 -0.914 1.00 . A A . 16 VAL HG22 1 1 10 4949 1 1 16 VAL HG23 H -6.767 4.250 -0.673 1.00 . A A . 16 VAL HG23 1 1 10 4950 1 1 16 VAL N N -7.451 4.542 2.221 1.00 . A A . 16 VAL N 1 1 10 4951 1 1 16 VAL O O -5.960 6.855 3.163 1.00 . A A . 16 VAL O 1 1 10 4952 1 1 17 ASN C C -3.084 7.242 4.291 1.00 . A A . 17 ASN C 1 1 10 4953 1 1 17 ASN CA C -4.007 6.273 5.022 1.00 . A A . 17 ASN CA 1 1 10 4954 1 1 17 ASN CB C -3.235 5.539 6.122 1.00 . A A . 17 ASN CB 1 1 10 4955 1 1 17 ASN CG C -3.787 5.834 7.503 1.00 . A A . 17 ASN CG 1 1 10 4956 1 1 17 ASN H H -4.239 4.412 4.037 1.00 . A A . 17 ASN H 1 1 10 4957 1 1 17 ASN HA H -4.818 6.829 5.465 1.00 . A A . 17 ASN HA 1 1 10 4958 1 1 17 ASN HB2 H -3.296 4.475 5.948 1.00 . A A . 17 ASN HB2 1 1 10 4959 1 1 17 ASN HB3 H -2.198 5.846 6.095 1.00 . A A . 17 ASN HB3 1 1 10 4960 1 1 17 ASN HD21 H -5.647 5.601 6.840 1.00 . A A . 17 ASN HD21 1 1 10 4961 1 1 17 ASN HD22 H -5.492 5.995 8.515 1.00 . A A . 17 ASN HD22 1 1 10 4962 1 1 17 ASN N N -4.574 5.332 4.064 1.00 . A A . 17 ASN N 1 1 10 4963 1 1 17 ASN ND2 N -5.108 5.807 7.632 1.00 . A A . 17 ASN ND2 1 1 10 4964 1 1 17 ASN O O -2.809 8.345 4.763 1.00 . A A . 17 ASN O 1 1 10 4965 1 1 17 ASN OD1 O -3.034 6.084 8.444 1.00 . A A . 17 ASN OD1 1 1 10 4966 1 1 18 TRP C C -0.369 7.776 2.923 1.00 . A A . 18 TRP C 1 1 10 4967 1 1 18 TRP CA C -1.729 7.593 2.285 1.00 . A A . 18 TRP CA 1 1 10 4968 1 1 18 TRP CB C -2.394 8.919 1.927 1.00 . A A . 18 TRP CB 1 1 10 4969 1 1 18 TRP CD1 C -4.839 8.845 1.174 1.00 . A A . 18 TRP CD1 1 1 10 4970 1 1 18 TRP CD2 C -3.367 8.228 -0.381 1.00 . A A . 18 TRP CD2 1 1 10 4971 1 1 18 TRP CE2 C -4.653 8.134 -0.928 1.00 . A A . 18 TRP CE2 1 1 10 4972 1 1 18 TRP CE3 C -2.272 7.888 -1.168 1.00 . A A . 18 TRP CE3 1 1 10 4973 1 1 18 TRP CG C -3.504 8.702 0.955 1.00 . A A . 18 TRP CG 1 1 10 4974 1 1 18 TRP CH2 C -3.786 7.377 -2.983 1.00 . A A . 18 TRP CH2 1 1 10 4975 1 1 18 TRP CZ2 C -4.876 7.708 -2.231 1.00 . A A . 18 TRP CZ2 1 1 10 4976 1 1 18 TRP CZ3 C -2.491 7.461 -2.461 1.00 . A A . 18 TRP CZ3 1 1 10 4977 1 1 18 TRP H H -2.879 5.917 2.821 1.00 . A A . 18 TRP H 1 1 10 4978 1 1 18 TRP HA H -1.578 7.031 1.370 1.00 . A A . 18 TRP HA 1 1 10 4979 1 1 18 TRP HB2 H -2.802 9.376 2.818 1.00 . A A . 18 TRP HB2 1 1 10 4980 1 1 18 TRP HB3 H -1.671 9.580 1.475 1.00 . A A . 18 TRP HB3 1 1 10 4981 1 1 18 TRP HD1 H -5.269 9.169 2.106 1.00 . A A . 18 TRP HD1 1 1 10 4982 1 1 18 TRP HE1 H -6.515 8.548 -0.055 1.00 . A A . 18 TRP HE1 1 1 10 4983 1 1 18 TRP HE3 H -1.270 7.938 -0.772 1.00 . A A . 18 TRP HE3 1 1 10 4984 1 1 18 TRP HH2 H -3.915 7.032 -3.994 1.00 . A A . 18 TRP HH2 1 1 10 4985 1 1 18 TRP HZ2 H -5.870 7.638 -2.648 1.00 . A A . 18 TRP HZ2 1 1 10 4986 1 1 18 TRP HZ3 H -1.654 7.189 -3.087 1.00 . A A . 18 TRP HZ3 1 1 10 4987 1 1 18 TRP N N -2.613 6.802 3.128 1.00 . A A . 18 TRP N 1 1 10 4988 1 1 18 TRP NE1 N -5.538 8.514 0.042 1.00 . A A . 18 TRP NE1 1 1 10 4989 1 1 18 TRP O O 0.622 7.273 2.405 1.00 . A A . 18 TRP O 1 1 10 4990 1 1 19 GLY C C 1.576 7.256 5.027 1.00 . A A . 19 GLY C 1 1 10 4991 1 1 19 GLY CA C 0.971 8.611 4.714 1.00 . A A . 19 GLY CA 1 1 10 4992 1 1 19 GLY H H -1.124 8.817 4.460 1.00 . A A . 19 GLY H 1 1 10 4993 1 1 19 GLY HA2 H 1.636 9.151 4.049 1.00 . A A . 19 GLY HA2 1 1 10 4994 1 1 19 GLY HA3 H 0.843 9.167 5.628 1.00 . A A . 19 GLY HA3 1 1 10 4995 1 1 19 GLY N N -0.308 8.453 4.059 1.00 . A A . 19 GLY N 1 1 10 4996 1 1 19 GLY O O 2.796 7.087 5.016 1.00 . A A . 19 GLY O 1 1 10 4997 1 1 20 GLU C C 1.593 4.266 4.254 1.00 . A A . 20 GLU C 1 1 10 4998 1 1 20 GLU CA C 1.128 4.911 5.551 1.00 . A A . 20 GLU CA 1 1 10 4999 1 1 20 GLU CB C -0.021 4.105 6.170 1.00 . A A . 20 GLU CB 1 1 10 5000 1 1 20 GLU CD C 0.398 3.283 8.523 1.00 . A A . 20 GLU CD 1 1 10 5001 1 1 20 GLU CG C -0.211 4.367 7.656 1.00 . A A . 20 GLU CG 1 1 10 5002 1 1 20 GLU H H -0.257 6.476 5.239 1.00 . A A . 20 GLU H 1 1 10 5003 1 1 20 GLU HA H 1.956 4.950 6.246 1.00 . A A . 20 GLU HA 1 1 10 5004 1 1 20 GLU HB2 H -0.941 4.361 5.663 1.00 . A A . 20 GLU HB2 1 1 10 5005 1 1 20 GLU HB3 H 0.173 3.048 6.033 1.00 . A A . 20 GLU HB3 1 1 10 5006 1 1 20 GLU HG2 H 0.257 5.308 7.905 1.00 . A A . 20 GLU HG2 1 1 10 5007 1 1 20 GLU HG3 H -1.267 4.425 7.867 1.00 . A A . 20 GLU HG3 1 1 10 5008 1 1 20 GLU N N 0.702 6.277 5.272 1.00 . A A . 20 GLU N 1 1 10 5009 1 1 20 GLU O O 2.609 3.570 4.213 1.00 . A A . 20 GLU O 1 1 10 5010 1 1 20 GLU OE1 O 1.630 3.311 8.734 1.00 . A A . 20 GLU OE1 1 1 10 5011 1 1 20 GLU OE2 O -0.356 2.405 8.992 1.00 . A A . 20 GLU OE2 1 1 10 5012 1 1 21 ALA C C 2.401 4.739 1.323 1.00 . A A . 21 ALA C 1 1 10 5013 1 1 21 ALA CA C 1.178 4.022 1.866 1.00 . A A . 21 ALA CA 1 1 10 5014 1 1 21 ALA CB C 0.014 4.240 0.933 1.00 . A A . 21 ALA CB 1 1 10 5015 1 1 21 ALA H H 0.059 5.114 3.283 1.00 . A A . 21 ALA H 1 1 10 5016 1 1 21 ALA HA H 1.377 2.962 1.941 1.00 . A A . 21 ALA HA 1 1 10 5017 1 1 21 ALA HB1 H 0.021 5.269 0.604 1.00 . A A . 21 ALA HB1 1 1 10 5018 1 1 21 ALA HB2 H -0.908 4.034 1.453 1.00 . A A . 21 ALA HB2 1 1 10 5019 1 1 21 ALA HB3 H 0.107 3.586 0.081 1.00 . A A . 21 ALA HB3 1 1 10 5020 1 1 21 ALA N N 0.848 4.536 3.184 1.00 . A A . 21 ALA N 1 1 10 5021 1 1 21 ALA O O 3.222 4.154 0.621 1.00 . A A . 21 ALA O 1 1 10 5022 1 1 22 PHE C C 4.923 6.203 1.783 1.00 . A A . 22 PHE C 1 1 10 5023 1 1 22 PHE CA C 3.647 6.828 1.262 1.00 . A A . 22 PHE CA 1 1 10 5024 1 1 22 PHE CB C 3.501 8.242 1.822 1.00 . A A . 22 PHE CB 1 1 10 5025 1 1 22 PHE CD1 C 5.816 9.205 1.803 1.00 . A A . 22 PHE CD1 1 1 10 5026 1 1 22 PHE CD2 C 4.199 10.113 0.305 1.00 . A A . 22 PHE CD2 1 1 10 5027 1 1 22 PHE CE1 C 6.762 10.090 1.324 1.00 . A A . 22 PHE CE1 1 1 10 5028 1 1 22 PHE CE2 C 5.141 11.000 -0.179 1.00 . A A . 22 PHE CE2 1 1 10 5029 1 1 22 PHE CG C 4.526 9.207 1.301 1.00 . A A . 22 PHE CG 1 1 10 5030 1 1 22 PHE CZ C 6.424 10.990 0.331 1.00 . A A . 22 PHE CZ 1 1 10 5031 1 1 22 PHE H H 1.837 6.411 2.259 1.00 . A A . 22 PHE H 1 1 10 5032 1 1 22 PHE HA H 3.670 6.864 0.180 1.00 . A A . 22 PHE HA 1 1 10 5033 1 1 22 PHE HB2 H 2.523 8.624 1.569 1.00 . A A . 22 PHE HB2 1 1 10 5034 1 1 22 PHE HB3 H 3.596 8.201 2.899 1.00 . A A . 22 PHE HB3 1 1 10 5035 1 1 22 PHE HD1 H 6.082 8.503 2.580 1.00 . A A . 22 PHE HD1 1 1 10 5036 1 1 22 PHE HD2 H 3.197 10.122 -0.096 1.00 . A A . 22 PHE HD2 1 1 10 5037 1 1 22 PHE HE1 H 7.765 10.080 1.724 1.00 . A A . 22 PHE HE1 1 1 10 5038 1 1 22 PHE HE2 H 4.874 11.702 -0.955 1.00 . A A . 22 PHE HE2 1 1 10 5039 1 1 22 PHE HZ H 7.162 11.683 -0.045 1.00 . A A . 22 PHE HZ 1 1 10 5040 1 1 22 PHE N N 2.522 6.013 1.682 1.00 . A A . 22 PHE N 1 1 10 5041 1 1 22 PHE O O 5.944 6.172 1.101 1.00 . A A . 22 PHE O 1 1 10 5042 1 1 23 SER C C 6.247 3.699 2.917 1.00 . A A . 23 SER C 1 1 10 5043 1 1 23 SER CA C 5.962 5.011 3.628 1.00 . A A . 23 SER CA 1 1 10 5044 1 1 23 SER CB C 5.681 4.756 5.110 1.00 . A A . 23 SER CB 1 1 10 5045 1 1 23 SER H H 3.965 5.719 3.463 1.00 . A A . 23 SER H 1 1 10 5046 1 1 23 SER HA H 6.828 5.655 3.534 1.00 . A A . 23 SER HA 1 1 10 5047 1 1 23 SER HB2 H 6.612 4.579 5.625 1.00 . A A . 23 SER HB2 1 1 10 5048 1 1 23 SER HB3 H 5.194 5.621 5.536 1.00 . A A . 23 SER HB3 1 1 10 5049 1 1 23 SER HG H 4.088 3.867 5.826 1.00 . A A . 23 SER HG 1 1 10 5050 1 1 23 SER N N 4.832 5.679 2.994 1.00 . A A . 23 SER N 1 1 10 5051 1 1 23 SER O O 7.390 3.248 2.841 1.00 . A A . 23 SER O 1 1 10 5052 1 1 23 SER OG O 4.843 3.626 5.284 1.00 . A A . 23 SER OG 1 1 10 5053 1 1 24 ALA C C 5.907 2.059 0.301 1.00 . A A . 24 ALA C 1 1 10 5054 1 1 24 ALA CA C 5.302 1.832 1.677 1.00 . A A . 24 ALA CA 1 1 10 5055 1 1 24 ALA CB C 3.935 1.180 1.551 1.00 . A A . 24 ALA CB 1 1 10 5056 1 1 24 ALA H H 4.302 3.510 2.486 1.00 . A A . 24 ALA H 1 1 10 5057 1 1 24 ALA HA H 5.944 1.174 2.246 1.00 . A A . 24 ALA HA 1 1 10 5058 1 1 24 ALA HB1 H 3.374 1.340 2.460 1.00 . A A . 24 ALA HB1 1 1 10 5059 1 1 24 ALA HB2 H 4.055 0.120 1.381 1.00 . A A . 24 ALA HB2 1 1 10 5060 1 1 24 ALA HB3 H 3.405 1.620 0.719 1.00 . A A . 24 ALA HB3 1 1 10 5061 1 1 24 ALA N N 5.187 3.092 2.392 1.00 . A A . 24 ALA N 1 1 10 5062 1 1 24 ALA O O 6.835 1.362 -0.109 1.00 . A A . 24 ALA O 1 1 10 5063 1 1 25 GLY C C 7.286 3.888 -1.707 1.00 . A A . 25 GLY C 1 1 10 5064 1 1 25 GLY CA C 5.863 3.367 -1.727 1.00 . A A . 25 GLY CA 1 1 10 5065 1 1 25 GLY H H 4.637 3.565 -0.019 1.00 . A A . 25 GLY H 1 1 10 5066 1 1 25 GLY HA2 H 5.827 2.475 -2.336 1.00 . A A . 25 GLY HA2 1 1 10 5067 1 1 25 GLY HA3 H 5.223 4.116 -2.167 1.00 . A A . 25 GLY HA3 1 1 10 5068 1 1 25 GLY N N 5.372 3.047 -0.404 1.00 . A A . 25 GLY N 1 1 10 5069 1 1 25 GLY O O 8.071 3.577 -2.595 1.00 . A A . 25 GLY O 1 1 10 5070 1 1 26 VAL C C 9.981 4.121 -0.398 1.00 . A A . 26 VAL C 1 1 10 5071 1 1 26 VAL CA C 8.972 5.236 -0.592 1.00 . A A . 26 VAL CA 1 1 10 5072 1 1 26 VAL CB C 9.104 6.240 0.573 1.00 . A A . 26 VAL CB 1 1 10 5073 1 1 26 VAL CG1 C 10.547 6.691 0.732 1.00 . A A . 26 VAL CG1 1 1 10 5074 1 1 26 VAL CG2 C 8.195 7.437 0.359 1.00 . A A . 26 VAL CG2 1 1 10 5075 1 1 26 VAL H H 6.959 4.905 -0.011 1.00 . A A . 26 VAL H 1 1 10 5076 1 1 26 VAL HA H 9.202 5.748 -1.523 1.00 . A A . 26 VAL HA 1 1 10 5077 1 1 26 VAL HB H 8.802 5.744 1.488 1.00 . A A . 26 VAL HB 1 1 10 5078 1 1 26 VAL HG11 H 10.576 7.624 1.273 1.00 . A A . 26 VAL HG11 1 1 10 5079 1 1 26 VAL HG12 H 10.990 6.825 -0.244 1.00 . A A . 26 VAL HG12 1 1 10 5080 1 1 26 VAL HG13 H 11.101 5.941 1.278 1.00 . A A . 26 VAL HG13 1 1 10 5081 1 1 26 VAL HG21 H 7.809 7.769 1.312 1.00 . A A . 26 VAL HG21 1 1 10 5082 1 1 26 VAL HG22 H 7.374 7.154 -0.283 1.00 . A A . 26 VAL HG22 1 1 10 5083 1 1 26 VAL HG23 H 8.755 8.237 -0.101 1.00 . A A . 26 VAL HG23 1 1 10 5084 1 1 26 VAL N N 7.625 4.685 -0.696 1.00 . A A . 26 VAL N 1 1 10 5085 1 1 26 VAL O O 11.061 4.145 -0.978 1.00 . A A . 26 VAL O 1 1 10 5086 1 1 27 HIS C C 10.767 1.301 -0.701 1.00 . A A . 27 HIS C 1 1 10 5087 1 1 27 HIS CA C 10.518 2.004 0.626 1.00 . A A . 27 HIS CA 1 1 10 5088 1 1 27 HIS CB C 9.914 1.031 1.639 1.00 . A A . 27 HIS CB 1 1 10 5089 1 1 27 HIS CD2 C 9.041 1.150 4.071 1.00 . A A . 27 HIS CD2 1 1 10 5090 1 1 27 HIS CE1 C 9.563 3.235 4.484 1.00 . A A . 27 HIS CE1 1 1 10 5091 1 1 27 HIS CG C 9.618 1.658 2.958 1.00 . A A . 27 HIS CG 1 1 10 5092 1 1 27 HIS H H 8.742 3.140 0.831 1.00 . A A . 27 HIS H 1 1 10 5093 1 1 27 HIS HA H 11.456 2.388 1.011 1.00 . A A . 27 HIS HA 1 1 10 5094 1 1 27 HIS HB2 H 8.990 0.642 1.249 1.00 . A A . 27 HIS HB2 1 1 10 5095 1 1 27 HIS HB3 H 10.604 0.220 1.807 1.00 . A A . 27 HIS HB3 1 1 10 5096 1 1 27 HIS HD1 H 10.360 3.601 2.639 1.00 . A A . 27 HIS HD1 1 1 10 5097 1 1 27 HIS HD2 H 8.667 0.144 4.198 1.00 . A A . 27 HIS HD2 1 1 10 5098 1 1 27 HIS HE1 H 9.683 4.179 4.977 1.00 . A A . 27 HIS HE1 1 1 10 5099 1 1 27 HIS HE2 H 8.569 2.110 5.875 1.00 . A A . 27 HIS HE2 1 1 10 5100 1 1 27 HIS N N 9.625 3.126 0.401 1.00 . A A . 27 HIS N 1 1 10 5101 1 1 27 HIS ND1 N 9.932 2.964 3.249 1.00 . A A . 27 HIS ND1 1 1 10 5102 1 1 27 HIS NE2 N 9.019 2.152 5.006 1.00 . A A . 27 HIS NE2 1 1 10 5103 1 1 27 HIS O O 11.872 0.857 -0.989 1.00 . A A . 27 HIS O 1 1 10 5104 1 1 28 ARG C C 10.638 1.462 -3.792 1.00 . A A . 28 ARG C 1 1 10 5105 1 1 28 ARG CA C 9.815 0.603 -2.826 1.00 . A A . 28 ARG CA 1 1 10 5106 1 1 28 ARG CB C 8.408 0.375 -3.383 1.00 . A A . 28 ARG CB 1 1 10 5107 1 1 28 ARG CD C 7.340 -1.245 -4.980 1.00 . A A . 28 ARG CD 1 1 10 5108 1 1 28 ARG CG C 8.381 -0.150 -4.809 1.00 . A A . 28 ARG CG 1 1 10 5109 1 1 28 ARG CZ C 6.937 -3.536 -4.166 1.00 . A A . 28 ARG CZ 1 1 10 5110 1 1 28 ARG H H 8.871 1.617 -1.232 1.00 . A A . 28 ARG H 1 1 10 5111 1 1 28 ARG HA H 10.306 -0.352 -2.706 1.00 . A A . 28 ARG HA 1 1 10 5112 1 1 28 ARG HB2 H 7.898 -0.337 -2.752 1.00 . A A . 28 ARG HB2 1 1 10 5113 1 1 28 ARG HB3 H 7.870 1.311 -3.358 1.00 . A A . 28 ARG HB3 1 1 10 5114 1 1 28 ARG HD2 H 6.407 -0.907 -4.555 1.00 . A A . 28 ARG HD2 1 1 10 5115 1 1 28 ARG HD3 H 7.207 -1.435 -6.034 1.00 . A A . 28 ARG HD3 1 1 10 5116 1 1 28 ARG HE H 8.655 -2.539 -3.974 1.00 . A A . 28 ARG HE 1 1 10 5117 1 1 28 ARG HG2 H 8.144 0.666 -5.476 1.00 . A A . 28 ARG HG2 1 1 10 5118 1 1 28 ARG HG3 H 9.356 -0.547 -5.054 1.00 . A A . 28 ARG HG3 1 1 10 5119 1 1 28 ARG HH11 H 5.346 -2.679 -5.074 1.00 . A A . 28 ARG HH11 1 1 10 5120 1 1 28 ARG HH12 H 5.092 -4.292 -4.497 1.00 . A A . 28 ARG HH12 1 1 10 5121 1 1 28 ARG HH21 H 8.322 -4.658 -3.214 1.00 . A A . 28 ARG HH21 1 1 10 5122 1 1 28 ARG HH22 H 6.781 -5.416 -3.440 1.00 . A A . 28 ARG HH22 1 1 10 5123 1 1 28 ARG N N 9.725 1.227 -1.515 1.00 . A A . 28 ARG N 1 1 10 5124 1 1 28 ARG NE N 7.740 -2.485 -4.320 1.00 . A A . 28 ARG NE 1 1 10 5125 1 1 28 ARG NH1 N 5.690 -3.499 -4.616 1.00 . A A . 28 ARG NH1 1 1 10 5126 1 1 28 ARG NH2 N 7.383 -4.626 -3.556 1.00 . A A . 28 ARG NH2 1 1 10 5127 1 1 28 ARG O O 11.544 0.967 -4.463 1.00 . A A . 28 ARG O 1 1 10 5128 1 1 29 LEU C C 12.419 3.961 -4.286 1.00 . A A . 29 LEU C 1 1 10 5129 1 1 29 LEU CA C 10.999 3.689 -4.745 1.00 . A A . 29 LEU CA 1 1 10 5130 1 1 29 LEU CB C 10.248 5.014 -4.802 1.00 . A A . 29 LEU CB 1 1 10 5131 1 1 29 LEU CD1 C 8.159 6.273 -5.302 1.00 . A A . 29 LEU CD1 1 1 10 5132 1 1 29 LEU CD2 C 8.512 3.990 -6.262 1.00 . A A . 29 LEU CD2 1 1 10 5133 1 1 29 LEU CG C 8.757 4.898 -5.076 1.00 . A A . 29 LEU CG 1 1 10 5134 1 1 29 LEU H H 9.576 3.084 -3.297 1.00 . A A . 29 LEU H 1 1 10 5135 1 1 29 LEU HA H 11.020 3.262 -5.726 1.00 . A A . 29 LEU HA 1 1 10 5136 1 1 29 LEU HB2 H 10.381 5.519 -3.858 1.00 . A A . 29 LEU HB2 1 1 10 5137 1 1 29 LEU HB3 H 10.687 5.619 -5.581 1.00 . A A . 29 LEU HB3 1 1 10 5138 1 1 29 LEU HD11 H 7.177 6.174 -5.738 1.00 . A A . 29 LEU HD11 1 1 10 5139 1 1 29 LEU HD12 H 8.797 6.834 -5.969 1.00 . A A . 29 LEU HD12 1 1 10 5140 1 1 29 LEU HD13 H 8.087 6.788 -4.356 1.00 . A A . 29 LEU HD13 1 1 10 5141 1 1 29 LEU HD21 H 7.468 4.024 -6.536 1.00 . A A . 29 LEU HD21 1 1 10 5142 1 1 29 LEU HD22 H 8.785 2.980 -5.994 1.00 . A A . 29 LEU HD22 1 1 10 5143 1 1 29 LEU HD23 H 9.117 4.317 -7.095 1.00 . A A . 29 LEU HD23 1 1 10 5144 1 1 29 LEU HG H 8.275 4.465 -4.219 1.00 . A A . 29 LEU HG 1 1 10 5145 1 1 29 LEU N N 10.307 2.751 -3.859 1.00 . A A . 29 LEU N 1 1 10 5146 1 1 29 LEU O O 13.371 3.912 -5.064 1.00 . A A . 29 LEU O 1 1 10 5147 1 1 30 ALA C C 14.794 3.476 -2.372 1.00 . A A . 30 ALA C 1 1 10 5148 1 1 30 ALA CA C 13.804 4.641 -2.403 1.00 . A A . 30 ALA CA 1 1 10 5149 1 1 30 ALA CB C 13.561 5.162 -0.997 1.00 . A A . 30 ALA CB 1 1 10 5150 1 1 30 ALA H H 11.704 4.346 -2.486 1.00 . A A . 30 ALA H 1 1 10 5151 1 1 30 ALA HA H 14.235 5.445 -2.980 1.00 . A A . 30 ALA HA 1 1 10 5152 1 1 30 ALA HB1 H 14.385 5.791 -0.697 1.00 . A A . 30 ALA HB1 1 1 10 5153 1 1 30 ALA HB2 H 13.474 4.329 -0.316 1.00 . A A . 30 ALA HB2 1 1 10 5154 1 1 30 ALA HB3 H 12.644 5.735 -0.982 1.00 . A A . 30 ALA HB3 1 1 10 5155 1 1 30 ALA N N 12.526 4.292 -3.018 1.00 . A A . 30 ALA N 1 1 10 5156 1 1 30 ALA O O 16.006 3.698 -2.385 1.00 . A A . 30 ALA O 1 1 10 5157 1 1 31 ASN C C 15.631 0.711 -3.722 1.00 . A A . 31 ASN C 1 1 10 5158 1 1 31 ASN CA C 15.194 1.085 -2.307 1.00 . A A . 31 ASN CA 1 1 10 5159 1 1 31 ASN CB C 14.529 -0.114 -1.623 1.00 . A A . 31 ASN CB 1 1 10 5160 1 1 31 ASN CG C 15.529 -1.035 -0.943 1.00 . A A . 31 ASN CG 1 1 10 5161 1 1 31 ASN H H 13.330 2.108 -2.325 1.00 . A A . 31 ASN H 1 1 10 5162 1 1 31 ASN HA H 16.072 1.364 -1.743 1.00 . A A . 31 ASN HA 1 1 10 5163 1 1 31 ASN HB2 H 13.848 0.247 -0.870 1.00 . A A . 31 ASN HB2 1 1 10 5164 1 1 31 ASN HB3 H 13.979 -0.686 -2.359 1.00 . A A . 31 ASN HB3 1 1 10 5165 1 1 31 ASN HD21 H 16.708 -1.016 -2.545 1.00 . A A . 31 ASN HD21 1 1 10 5166 1 1 31 ASN HD22 H 17.265 -1.964 -1.217 1.00 . A A . 31 ASN HD22 1 1 10 5167 1 1 31 ASN N N 14.301 2.243 -2.332 1.00 . A A . 31 ASN N 1 1 10 5168 1 1 31 ASN ND2 N 16.610 -1.372 -1.640 1.00 . A A . 31 ASN ND2 1 1 10 5169 1 1 31 ASN O O 16.666 0.072 -3.911 1.00 . A A . 31 ASN O 1 1 10 5170 1 1 31 ASN OD1 O 15.327 -1.446 0.200 1.00 . A A . 31 ASN OD1 1 1 10 5171 1 1 32 GLY C C 14.109 -0.057 -6.765 1.00 . A A . 32 GLY C 1 1 10 5172 1 1 32 GLY CA C 15.163 0.802 -6.093 1.00 . A A . 32 GLY CA 1 1 10 5173 1 1 32 GLY H H 14.022 1.611 -4.504 1.00 . A A . 32 GLY H 1 1 10 5174 1 1 32 GLY HA2 H 15.259 1.728 -6.642 1.00 . A A . 32 GLY HA2 1 1 10 5175 1 1 32 GLY HA3 H 16.109 0.279 -6.124 1.00 . A A . 32 GLY HA3 1 1 10 5176 1 1 32 GLY N N 14.836 1.107 -4.712 1.00 . A A . 32 GLY N 1 1 10 5177 1 1 32 GLY O O 13.951 -1.231 -6.430 1.00 . A A . 32 GLY O 1 1 10 5178 1 1 33 GLY C C 11.582 0.669 -9.394 1.00 . A A . 33 GLY C 1 1 10 5179 1 1 33 GLY CA C 12.355 -0.205 -8.424 1.00 . A A . 33 GLY CA 1 1 10 5180 1 1 33 GLY H H 13.559 1.468 -7.939 1.00 . A A . 33 GLY H 1 1 10 5181 1 1 33 GLY HA2 H 12.819 -1.013 -8.973 1.00 . A A . 33 GLY HA2 1 1 10 5182 1 1 33 GLY HA3 H 11.665 -0.622 -7.704 1.00 . A A . 33 GLY HA3 1 1 10 5183 1 1 33 GLY N N 13.388 0.529 -7.715 1.00 . A A . 33 GLY N 1 1 10 5184 1 1 33 GLY O O 11.048 1.709 -9.012 1.00 . A A . 33 GLY O 1 1 10 5185 1 1 34 ASN C C 9.335 0.608 -11.719 1.00 . A A . 34 ASN C 1 1 10 5186 1 1 34 ASN CA C 10.811 0.995 -11.682 1.00 . A A . 34 ASN CA 1 1 10 5187 1 1 34 ASN CB C 11.445 0.751 -13.056 1.00 . A A . 34 ASN CB 1 1 10 5188 1 1 34 ASN CG C 12.691 1.589 -13.275 1.00 . A A . 34 ASN CG 1 1 10 5189 1 1 34 ASN H H 11.969 -0.594 -10.896 1.00 . A A . 34 ASN H 1 1 10 5190 1 1 34 ASN HA H 10.890 2.045 -11.443 1.00 . A A . 34 ASN HA 1 1 10 5191 1 1 34 ASN HB2 H 11.715 -0.291 -13.143 1.00 . A A . 34 ASN HB2 1 1 10 5192 1 1 34 ASN HB3 H 10.728 0.998 -13.826 1.00 . A A . 34 ASN HB3 1 1 10 5193 1 1 34 ASN HD21 H 12.821 0.948 -15.152 1.00 . A A . 34 ASN HD21 1 1 10 5194 1 1 34 ASN HD22 H 14.049 2.055 -14.651 1.00 . A A . 34 ASN HD22 1 1 10 5195 1 1 34 ASN N N 11.523 0.244 -10.653 1.00 . A A . 34 ASN N 1 1 10 5196 1 1 34 ASN ND2 N 13.243 1.524 -14.481 1.00 . A A . 34 ASN ND2 1 1 10 5197 1 1 34 ASN O O 8.492 1.386 -12.166 1.00 . A A . 34 ASN O 1 1 10 5198 1 1 34 ASN OD1 O 13.151 2.287 -12.371 1.00 . A A . 34 ASN OD1 1 1 10 5199 1 1 35 GLY C C 7.460 -2.344 -12.028 1.00 . A A . 35 GLY C 1 1 10 5200 1 1 35 GLY CA C 7.654 -1.066 -11.233 1.00 . A A . 35 GLY CA 1 1 10 5201 1 1 35 GLY H H 9.744 -1.173 -10.904 1.00 . A A . 35 GLY H 1 1 10 5202 1 1 35 GLY HA2 H 7.358 -1.245 -10.210 1.00 . A A . 35 GLY HA2 1 1 10 5203 1 1 35 GLY HA3 H 7.015 -0.298 -11.650 1.00 . A A . 35 GLY HA3 1 1 10 5204 1 1 35 GLY N N 9.030 -0.597 -11.247 1.00 . A A . 35 GLY N 1 1 10 5205 1 1 35 GLY O O 6.363 -2.619 -12.513 1.00 . A A . 35 GLY O 1 1 10 5206 1 1 36 PHE C C 8.475 -4.164 -14.418 1.00 . A A . 36 PHE C 1 1 10 5207 1 1 36 PHE CA C 8.477 -4.390 -12.904 1.00 . A A . 36 PHE CA 1 1 10 5208 1 1 36 PHE CB C 7.243 -5.201 -12.494 1.00 . A A . 36 PHE CB 1 1 10 5209 1 1 36 PHE CD1 C 8.381 -6.863 -10.998 1.00 . A A . 36 PHE CD1 1 1 10 5210 1 1 36 PHE CD2 C 7.056 -7.684 -12.804 1.00 . A A . 36 PHE CD2 1 1 10 5211 1 1 36 PHE CE1 C 8.683 -8.159 -10.627 1.00 . A A . 36 PHE CE1 1 1 10 5212 1 1 36 PHE CE2 C 7.356 -8.982 -12.437 1.00 . A A . 36 PHE CE2 1 1 10 5213 1 1 36 PHE CG C 7.565 -6.612 -12.089 1.00 . A A . 36 PHE CG 1 1 10 5214 1 1 36 PHE CZ C 8.169 -9.220 -11.347 1.00 . A A . 36 PHE CZ 1 1 10 5215 1 1 36 PHE H H 9.376 -2.854 -11.757 1.00 . A A . 36 PHE H 1 1 10 5216 1 1 36 PHE HA H 9.362 -4.955 -12.647 1.00 . A A . 36 PHE HA 1 1 10 5217 1 1 36 PHE HB2 H 6.765 -4.717 -11.655 1.00 . A A . 36 PHE HB2 1 1 10 5218 1 1 36 PHE HB3 H 6.551 -5.243 -13.323 1.00 . A A . 36 PHE HB3 1 1 10 5219 1 1 36 PHE HD1 H 8.781 -6.034 -10.434 1.00 . A A . 36 PHE HD1 1 1 10 5220 1 1 36 PHE HD2 H 6.419 -7.499 -13.655 1.00 . A A . 36 PHE HD2 1 1 10 5221 1 1 36 PHE HE1 H 9.321 -8.343 -9.775 1.00 . A A . 36 PHE HE1 1 1 10 5222 1 1 36 PHE HE2 H 6.952 -9.810 -13.002 1.00 . A A . 36 PHE HE2 1 1 10 5223 1 1 36 PHE HZ H 8.405 -10.234 -11.059 1.00 . A A . 36 PHE HZ 1 1 10 5224 1 1 36 PHE N N 8.530 -3.128 -12.166 1.00 . A A . 36 PHE N 1 1 10 5225 1 1 36 PHE O O 8.457 -5.122 -15.191 1.00 . A A . 36 PHE O 1 1 10 5226 1 1 37 TRP C C 9.881 -2.800 -16.871 1.00 . A A . 37 TRP C 1 1 10 5227 1 1 37 TRP CA C 8.499 -2.577 -16.264 1.00 . A A . 37 TRP CA 1 1 10 5228 1 1 37 TRP CB C 8.062 -1.126 -16.476 1.00 . A A . 37 TRP CB 1 1 10 5229 1 1 37 TRP CD1 C 5.589 -1.753 -16.251 1.00 . A A . 37 TRP CD1 1 1 10 5230 1 1 37 TRP CD2 C 5.977 -0.011 -17.603 1.00 . A A . 37 TRP CD2 1 1 10 5231 1 1 37 TRP CE2 C 4.591 -0.250 -17.566 1.00 . A A . 37 TRP CE2 1 1 10 5232 1 1 37 TRP CE3 C 6.458 1.039 -18.389 1.00 . A A . 37 TRP CE3 1 1 10 5233 1 1 37 TRP CG C 6.597 -0.983 -16.754 1.00 . A A . 37 TRP CG 1 1 10 5234 1 1 37 TRP CH2 C 4.181 1.543 -19.047 1.00 . A A . 37 TRP CH2 1 1 10 5235 1 1 37 TRP CZ2 C 3.682 0.522 -18.286 1.00 . A A . 37 TRP CZ2 1 1 10 5236 1 1 37 TRP CZ3 C 5.556 1.805 -19.104 1.00 . A A . 37 TRP CZ3 1 1 10 5237 1 1 37 TRP H H 8.516 -2.175 -14.188 1.00 . A A . 37 TRP H 1 1 10 5238 1 1 37 TRP HA H 7.793 -3.231 -16.755 1.00 . A A . 37 TRP HA 1 1 10 5239 1 1 37 TRP HB2 H 8.291 -0.555 -15.589 1.00 . A A . 37 TRP HB2 1 1 10 5240 1 1 37 TRP HB3 H 8.604 -0.713 -17.314 1.00 . A A . 37 TRP HB3 1 1 10 5241 1 1 37 TRP HD1 H 5.735 -2.580 -15.572 1.00 . A A . 37 TRP HD1 1 1 10 5242 1 1 37 TRP HE1 H 3.506 -1.710 -16.519 1.00 . A A . 37 TRP HE1 1 1 10 5243 1 1 37 TRP HE3 H 7.514 1.257 -18.445 1.00 . A A . 37 TRP HE3 1 1 10 5244 1 1 37 TRP HH2 H 3.512 2.167 -19.623 1.00 . A A . 37 TRP HH2 1 1 10 5245 1 1 37 TRP HZ2 H 2.619 0.333 -18.253 1.00 . A A . 37 TRP HZ2 1 1 10 5246 1 1 37 TRP HZ3 H 5.909 2.620 -19.716 1.00 . A A . 37 TRP HZ3 1 1 10 5247 1 1 37 TRP N N 8.497 -2.902 -14.841 1.00 . A A . 37 TRP N 1 1 10 5248 1 1 37 TRP NE1 N 4.379 -1.319 -16.734 1.00 . A A . 37 TRP NE1 1 1 10 5249 1 1 37 TRP O O 10.726 -1.886 -16.766 1.00 . A A . 37 TRP O 1 1 10 5250 1 1 37 TRP OXT O 10.106 -3.885 -17.445 1.00 . A A . 37 TRP OXT 1 1 11 5251 1 1 1 LYS C C -6.303 -4.123 5.505 1.00 . A A . 1 LYS C 1 1 11 5252 1 1 1 LYS CA C -7.258 -4.837 6.455 1.00 . A A . 1 LYS CA 1 1 11 5253 1 1 1 LYS CB C -8.047 -5.905 5.682 1.00 . A A . 1 LYS CB 1 1 11 5254 1 1 1 LYS CD C -7.661 -7.858 4.132 1.00 . A A . 1 LYS CD 1 1 11 5255 1 1 1 LYS CE C -8.805 -7.989 3.140 1.00 . A A . 1 LYS CE 1 1 11 5256 1 1 1 LYS CG C -7.339 -6.401 4.427 1.00 . A A . 1 LYS CG 1 1 11 5257 1 1 1 LYS HA H -6.687 -5.313 7.238 1.00 . A A . 1 LYS HA 1 1 11 5258 1 1 1 LYS HB2 H -8.219 -6.751 6.331 1.00 . A A . 1 LYS HB2 1 1 11 5259 1 1 1 LYS HB3 H -8.999 -5.489 5.388 1.00 . A A . 1 LYS HB3 1 1 11 5260 1 1 1 LYS HD2 H -6.784 -8.331 3.714 1.00 . A A . 1 LYS HD2 1 1 11 5261 1 1 1 LYS HD3 H -7.934 -8.351 5.053 1.00 . A A . 1 LYS HD3 1 1 11 5262 1 1 1 LYS HE2 H -9.739 -7.949 3.681 1.00 . A A . 1 LYS HE2 1 1 11 5263 1 1 1 LYS HE3 H -8.758 -7.165 2.444 1.00 . A A . 1 LYS HE3 1 1 11 5264 1 1 1 LYS HG2 H -7.650 -5.794 3.588 1.00 . A A . 1 LYS HG2 1 1 11 5265 1 1 1 LYS HG3 H -6.272 -6.298 4.565 1.00 . A A . 1 LYS HG3 1 1 11 5266 1 1 1 LYS HZ1 H -9.402 -9.248 1.584 1.00 . A A . 1 LYS HZ1 1 1 11 5267 1 1 1 LYS HZ2 H -8.988 -10.066 3.004 1.00 . A A . 1 LYS HZ2 1 1 11 5268 1 1 1 LYS HZ3 H -7.776 -9.420 2.018 1.00 . A A . 1 LYS HZ3 1 1 11 5269 1 1 1 LYS N N -8.217 -3.885 7.078 1.00 . A A . 1 LYS N 1 1 11 5270 1 1 1 LYS NZ N -8.739 -9.270 2.384 1.00 . A A . 1 LYS NZ 1 1 11 5271 1 1 1 LYS O O -6.735 -3.532 4.521 1.00 . A A . 1 LYS O 1 1 11 5272 1 1 2 TYR C C -3.750 -4.414 3.703 1.00 . A A . 2 TYR C 1 1 11 5273 1 1 2 TYR CA C -4.013 -3.574 4.943 1.00 . A A . 2 TYR CA 1 1 11 5274 1 1 2 TYR CB C -2.714 -3.407 5.710 1.00 . A A . 2 TYR CB 1 1 11 5275 1 1 2 TYR CD1 C -2.620 -0.948 5.971 1.00 . A A . 2 TYR CD1 1 1 11 5276 1 1 2 TYR CD2 C -0.932 -1.982 4.668 1.00 . A A . 2 TYR CD2 1 1 11 5277 1 1 2 TYR CE1 C -2.055 0.281 5.737 1.00 . A A . 2 TYR CE1 1 1 11 5278 1 1 2 TYR CE2 C -0.356 -0.762 4.430 1.00 . A A . 2 TYR CE2 1 1 11 5279 1 1 2 TYR CG C -2.069 -2.089 5.446 1.00 . A A . 2 TYR CG 1 1 11 5280 1 1 2 TYR CZ C -0.919 0.369 4.966 1.00 . A A . 2 TYR CZ 1 1 11 5281 1 1 2 TYR H H -4.712 -4.683 6.579 1.00 . A A . 2 TYR H 1 1 11 5282 1 1 2 TYR HA H -4.376 -2.598 4.651 1.00 . A A . 2 TYR HA 1 1 11 5283 1 1 2 TYR HB2 H -2.916 -3.471 6.768 1.00 . A A . 2 TYR HB2 1 1 11 5284 1 1 2 TYR HB3 H -2.022 -4.184 5.425 1.00 . A A . 2 TYR HB3 1 1 11 5285 1 1 2 TYR HD1 H -3.515 -1.033 6.569 1.00 . A A . 2 TYR HD1 1 1 11 5286 1 1 2 TYR HD2 H -0.494 -2.870 4.247 1.00 . A A . 2 TYR HD2 1 1 11 5287 1 1 2 TYR HE1 H -2.503 1.162 6.155 1.00 . A A . 2 TYR HE1 1 1 11 5288 1 1 2 TYR HE2 H 0.523 -0.695 3.817 1.00 . A A . 2 TYR HE2 1 1 11 5289 1 1 2 TYR HH H 0.526 1.615 5.159 1.00 . A A . 2 TYR HH 1 1 11 5290 1 1 2 TYR N N -5.007 -4.200 5.786 1.00 . A A . 2 TYR N 1 1 11 5291 1 1 2 TYR O O -3.655 -5.638 3.778 1.00 . A A . 2 TYR O 1 1 11 5292 1 1 2 TYR OH O -0.336 1.590 4.738 1.00 . A A . 2 TYR OH 1 1 11 5293 1 1 3 TYR C C -1.923 -4.240 0.868 1.00 . A A . 3 TYR C 1 1 11 5294 1 1 3 TYR CA C -3.370 -4.430 1.302 1.00 . A A . 3 TYR CA 1 1 11 5295 1 1 3 TYR CB C -4.329 -3.909 0.229 1.00 . A A . 3 TYR CB 1 1 11 5296 1 1 3 TYR CD1 C -5.586 -5.932 -0.598 1.00 . A A . 3 TYR CD1 1 1 11 5297 1 1 3 TYR CD2 C -6.752 -4.351 0.754 1.00 . A A . 3 TYR CD2 1 1 11 5298 1 1 3 TYR CE1 C -6.725 -6.710 -0.677 1.00 . A A . 3 TYR CE1 1 1 11 5299 1 1 3 TYR CE2 C -7.892 -5.129 0.686 1.00 . A A . 3 TYR CE2 1 1 11 5300 1 1 3 TYR CG C -5.583 -4.740 0.116 1.00 . A A . 3 TYR CG 1 1 11 5301 1 1 3 TYR CZ C -7.873 -6.307 -0.032 1.00 . A A . 3 TYR CZ 1 1 11 5302 1 1 3 TYR H H -3.701 -2.767 2.576 1.00 . A A . 3 TYR H 1 1 11 5303 1 1 3 TYR HA H -3.555 -5.487 1.451 1.00 . A A . 3 TYR HA 1 1 11 5304 1 1 3 TYR HB2 H -4.621 -2.901 0.481 1.00 . A A . 3 TYR HB2 1 1 11 5305 1 1 3 TYR HB3 H -3.834 -3.914 -0.734 1.00 . A A . 3 TYR HB3 1 1 11 5306 1 1 3 TYR HD1 H -4.686 -6.245 -1.103 1.00 . A A . 3 TYR HD1 1 1 11 5307 1 1 3 TYR HD2 H -6.763 -3.426 1.313 1.00 . A A . 3 TYR HD2 1 1 11 5308 1 1 3 TYR HE1 H -6.710 -7.632 -1.239 1.00 . A A . 3 TYR HE1 1 1 11 5309 1 1 3 TYR HE2 H -8.793 -4.810 1.189 1.00 . A A . 3 TYR HE2 1 1 11 5310 1 1 3 TYR HH H -9.780 -6.524 -0.107 1.00 . A A . 3 TYR HH 1 1 11 5311 1 1 3 TYR N N -3.625 -3.746 2.566 1.00 . A A . 3 TYR N 1 1 11 5312 1 1 3 TYR O O -1.637 -4.038 -0.312 1.00 . A A . 3 TYR O 1 1 11 5313 1 1 3 TYR OH O -9.003 -7.086 -0.102 1.00 . A A . 3 TYR OH 1 1 11 5314 1 1 4 GLY C C 0.700 -2.948 0.635 1.00 . A A . 4 GLY C 1 1 11 5315 1 1 4 GLY CA C 0.403 -4.110 1.569 1.00 . A A . 4 GLY CA 1 1 11 5316 1 1 4 GLY H H -1.313 -4.429 2.764 1.00 . A A . 4 GLY H 1 1 11 5317 1 1 4 GLY HA2 H 0.914 -3.941 2.504 1.00 . A A . 4 GLY HA2 1 1 11 5318 1 1 4 GLY HA3 H 0.784 -5.024 1.123 1.00 . A A . 4 GLY HA3 1 1 11 5319 1 1 4 GLY N N -1.015 -4.282 1.843 1.00 . A A . 4 GLY N 1 1 11 5320 1 1 4 GLY O O 1.784 -2.875 0.057 1.00 . A A . 4 GLY O 1 1 11 5321 1 1 5 ASN C C -0.882 0.303 0.129 1.00 . A A . 5 ASN C 1 1 11 5322 1 1 5 ASN CA C -0.092 -0.888 -0.395 1.00 . A A . 5 ASN CA 1 1 11 5323 1 1 5 ASN CB C -0.544 -1.232 -1.820 1.00 . A A . 5 ASN CB 1 1 11 5324 1 1 5 ASN CG C 0.592 -1.144 -2.820 1.00 . A A . 5 ASN CG 1 1 11 5325 1 1 5 ASN H H -1.106 -2.150 0.961 1.00 . A A . 5 ASN H 1 1 11 5326 1 1 5 ASN HA H 0.957 -0.629 -0.409 1.00 . A A . 5 ASN HA 1 1 11 5327 1 1 5 ASN HB2 H -0.936 -2.239 -1.835 1.00 . A A . 5 ASN HB2 1 1 11 5328 1 1 5 ASN HB3 H -1.322 -0.546 -2.124 1.00 . A A . 5 ASN HB3 1 1 11 5329 1 1 5 ASN HD21 H 0.300 0.812 -3.017 1.00 . A A . 5 ASN HD21 1 1 11 5330 1 1 5 ASN HD22 H 1.578 0.145 -3.969 1.00 . A A . 5 ASN HD22 1 1 11 5331 1 1 5 ASN N N -0.262 -2.043 0.478 1.00 . A A . 5 ASN N 1 1 11 5332 1 1 5 ASN ND2 N 0.850 0.059 -3.319 1.00 . A A . 5 ASN ND2 1 1 11 5333 1 1 5 ASN O O -1.626 0.935 -0.621 1.00 . A A . 5 ASN O 1 1 11 5334 1 1 5 ASN OD1 O 1.233 -2.145 -3.137 1.00 . A A . 5 ASN OD1 1 1 11 5335 1 1 6 GLY C C -2.944 1.665 1.565 1.00 . A A . 6 GLY C 1 1 11 5336 1 1 6 GLY CA C -1.495 1.701 1.989 1.00 . A A . 6 GLY CA 1 1 11 5337 1 1 6 GLY H H -0.166 0.043 1.990 1.00 . A A . 6 GLY H 1 1 11 5338 1 1 6 GLY HA2 H -1.443 1.653 3.060 1.00 . A A . 6 GLY HA2 1 1 11 5339 1 1 6 GLY HA3 H -1.060 2.626 1.658 1.00 . A A . 6 GLY HA3 1 1 11 5340 1 1 6 GLY N N -0.749 0.594 1.420 1.00 . A A . 6 GLY N 1 1 11 5341 1 1 6 GLY O O -3.476 2.642 1.054 1.00 . A A . 6 GLY O 1 1 11 5342 1 1 7 VAL C C -5.643 -0.606 2.378 1.00 . A A . 7 VAL C 1 1 11 5343 1 1 7 VAL CA C -4.969 0.331 1.401 1.00 . A A . 7 VAL CA 1 1 11 5344 1 1 7 VAL CB C -5.137 -0.255 -0.010 1.00 . A A . 7 VAL CB 1 1 11 5345 1 1 7 VAL CG1 C -6.542 -0.778 -0.171 1.00 . A A . 7 VAL CG1 1 1 11 5346 1 1 7 VAL CG2 C -4.865 0.785 -1.068 1.00 . A A . 7 VAL CG2 1 1 11 5347 1 1 7 VAL H H -3.079 -0.229 2.171 1.00 . A A . 7 VAL H 1 1 11 5348 1 1 7 VAL HA H -5.465 1.291 1.434 1.00 . A A . 7 VAL HA 1 1 11 5349 1 1 7 VAL HB H -4.443 -1.073 -0.136 1.00 . A A . 7 VAL HB 1 1 11 5350 1 1 7 VAL HG11 H -6.816 -0.760 -1.215 1.00 . A A . 7 VAL HG11 1 1 11 5351 1 1 7 VAL HG12 H -7.209 -0.141 0.393 1.00 . A A . 7 VAL HG12 1 1 11 5352 1 1 7 VAL HG13 H -6.598 -1.788 0.206 1.00 . A A . 7 VAL HG13 1 1 11 5353 1 1 7 VAL HG21 H -4.303 0.341 -1.873 1.00 . A A . 7 VAL HG21 1 1 11 5354 1 1 7 VAL HG22 H -4.306 1.596 -0.636 1.00 . A A . 7 VAL HG22 1 1 11 5355 1 1 7 VAL HG23 H -5.809 1.152 -1.446 1.00 . A A . 7 VAL HG23 1 1 11 5356 1 1 7 VAL N N -3.571 0.517 1.766 1.00 . A A . 7 VAL N 1 1 11 5357 1 1 7 VAL O O -5.510 -1.827 2.274 1.00 . A A . 7 VAL O 1 1 11 5358 1 1 8 HIS C C -8.561 -0.822 4.059 1.00 . A A . 8 HIS C 1 1 11 5359 1 1 8 HIS CA C -7.066 -0.837 4.302 1.00 . A A . 8 HIS CA 1 1 11 5360 1 1 8 HIS CB C -6.769 -0.359 5.729 1.00 . A A . 8 HIS CB 1 1 11 5361 1 1 8 HIS CD2 C -4.775 1.148 5.091 1.00 . A A . 8 HIS CD2 1 1 11 5362 1 1 8 HIS CE1 C -5.168 2.795 6.485 1.00 . A A . 8 HIS CE1 1 1 11 5363 1 1 8 HIS CG C -5.881 0.835 5.797 1.00 . A A . 8 HIS CG 1 1 11 5364 1 1 8 HIS H H -6.452 0.940 3.344 1.00 . A A . 8 HIS H 1 1 11 5365 1 1 8 HIS HA H -6.711 -1.843 4.194 1.00 . A A . 8 HIS HA 1 1 11 5366 1 1 8 HIS HB2 H -7.697 -0.104 6.217 1.00 . A A . 8 HIS HB2 1 1 11 5367 1 1 8 HIS HB3 H -6.292 -1.159 6.274 1.00 . A A . 8 HIS HB3 1 1 11 5368 1 1 8 HIS HD1 H -6.831 1.944 7.311 1.00 . A A . 8 HIS HD1 1 1 11 5369 1 1 8 HIS HD2 H -4.314 0.536 4.321 1.00 . A A . 8 HIS HD2 1 1 11 5370 1 1 8 HIS HE1 H -5.093 3.725 7.021 1.00 . A A . 8 HIS HE1 1 1 11 5371 1 1 8 HIS HE2 H -3.505 2.809 5.287 1.00 . A A . 8 HIS HE2 1 1 11 5372 1 1 8 HIS N N -6.373 -0.037 3.317 1.00 . A A . 8 HIS N 1 1 11 5373 1 1 8 HIS ND1 N -6.101 1.881 6.661 1.00 . A A . 8 HIS ND1 1 1 11 5374 1 1 8 HIS NE2 N -4.347 2.376 5.536 1.00 . A A . 8 HIS NE2 1 1 11 5375 1 1 8 HIS O O -9.118 0.150 3.551 1.00 . A A . 8 HIS O 1 1 11 5376 1 1 9 CYS C C -11.258 -2.118 5.678 1.00 . A A . 9 CYS C 1 1 11 5377 1 1 9 CYS CA C -10.637 -2.024 4.297 1.00 . A A . 9 CYS CA 1 1 11 5378 1 1 9 CYS CB C -10.982 -3.233 3.435 1.00 . A A . 9 CYS CB 1 1 11 5379 1 1 9 CYS H H -8.704 -2.640 4.853 1.00 . A A . 9 CYS H 1 1 11 5380 1 1 9 CYS HA H -10.991 -1.130 3.820 1.00 . A A . 9 CYS HA 1 1 11 5381 1 1 9 CYS HB2 H -10.097 -3.535 2.897 1.00 . A A . 9 CYS HB2 1 1 11 5382 1 1 9 CYS HB3 H -11.308 -4.041 4.071 1.00 . A A . 9 CYS HB3 1 1 11 5383 1 1 9 CYS N N -9.205 -1.905 4.443 1.00 . A A . 9 CYS N 1 1 11 5384 1 1 9 CYS O O -11.324 -3.192 6.277 1.00 . A A . 9 CYS O 1 1 11 5385 1 1 9 CYS SG S -12.288 -2.927 2.202 1.00 . A A . 9 CYS SG 1 1 11 5386 1 1 10 THR C C -13.752 -0.976 7.514 1.00 . A A . 10 THR C 1 1 11 5387 1 1 10 THR CA C -12.231 -0.886 7.532 1.00 . A A . 10 THR CA 1 1 11 5388 1 1 10 THR CB C -11.790 0.417 8.205 1.00 . A A . 10 THR CB 1 1 11 5389 1 1 10 THR CG2 C -10.284 0.611 8.226 1.00 . A A . 10 THR CG2 1 1 11 5390 1 1 10 THR H H -11.547 -0.144 5.675 1.00 . A A . 10 THR H 1 1 11 5391 1 1 10 THR HA H -11.848 -1.716 8.101 1.00 . A A . 10 THR HA 1 1 11 5392 1 1 10 THR HB H -12.137 0.416 9.227 1.00 . A A . 10 THR HB 1 1 11 5393 1 1 10 THR HG1 H -12.284 1.414 6.593 1.00 . A A . 10 THR HG1 1 1 11 5394 1 1 10 THR HG21 H -10.011 1.220 9.076 1.00 . A A . 10 THR HG21 1 1 11 5395 1 1 10 THR HG22 H -9.969 1.105 7.317 1.00 . A A . 10 THR HG22 1 1 11 5396 1 1 10 THR HG23 H -9.796 -0.349 8.301 1.00 . A A . 10 THR HG23 1 1 11 5397 1 1 10 THR N N -11.665 -0.967 6.195 1.00 . A A . 10 THR N 1 1 11 5398 1 1 10 THR O O -14.406 -0.539 6.570 1.00 . A A . 10 THR O 1 1 11 5399 1 1 10 THR OG1 O -12.355 1.535 7.543 1.00 . A A . 10 THR OG1 1 1 11 5400 1 1 11 LYS C C -16.424 -2.357 7.556 1.00 . A A . 11 LYS C 1 1 11 5401 1 1 11 LYS CA C -15.717 -1.766 8.787 1.00 . A A . 11 LYS CA 1 1 11 5402 1 1 11 LYS CB C -16.396 -0.475 9.275 1.00 . A A . 11 LYS CB 1 1 11 5403 1 1 11 LYS CD C -17.247 1.836 8.802 1.00 . A A . 11 LYS CD 1 1 11 5404 1 1 11 LYS CE C -17.359 2.945 7.767 1.00 . A A . 11 LYS CE 1 1 11 5405 1 1 11 LYS CG C -16.668 0.566 8.202 1.00 . A A . 11 LYS CG 1 1 11 5406 1 1 11 LYS H H -13.672 -1.876 9.288 1.00 . A A . 11 LYS H 1 1 11 5407 1 1 11 LYS HA H -15.804 -2.496 9.581 1.00 . A A . 11 LYS HA 1 1 11 5408 1 1 11 LYS HB2 H -17.340 -0.735 9.730 1.00 . A A . 11 LYS HB2 1 1 11 5409 1 1 11 LYS HB3 H -15.764 -0.023 10.026 1.00 . A A . 11 LYS HB3 1 1 11 5410 1 1 11 LYS HD2 H -18.232 1.621 9.191 1.00 . A A . 11 LYS HD2 1 1 11 5411 1 1 11 LYS HD3 H -16.606 2.169 9.605 1.00 . A A . 11 LYS HD3 1 1 11 5412 1 1 11 LYS HE2 H -16.467 3.549 7.810 1.00 . A A . 11 LYS HE2 1 1 11 5413 1 1 11 LYS HE3 H -17.444 2.497 6.787 1.00 . A A . 11 LYS HE3 1 1 11 5414 1 1 11 LYS HG2 H -15.744 0.803 7.700 1.00 . A A . 11 LYS HG2 1 1 11 5415 1 1 11 LYS HG3 H -17.373 0.163 7.492 1.00 . A A . 11 LYS HG3 1 1 11 5416 1 1 11 LYS HZ1 H -18.322 4.798 7.763 1.00 . A A . 11 LYS HZ1 1 1 11 5417 1 1 11 LYS HZ2 H -18.822 3.771 9.010 1.00 . A A . 11 LYS HZ2 1 1 11 5418 1 1 11 LYS HZ3 H -19.347 3.494 7.426 1.00 . A A . 11 LYS HZ3 1 1 11 5419 1 1 11 LYS N N -14.282 -1.559 8.589 1.00 . A A . 11 LYS N 1 1 11 5420 1 1 11 LYS NZ N -18.546 3.812 8.009 1.00 . A A . 11 LYS NZ 1 1 11 5421 1 1 11 LYS O O -16.900 -3.490 7.617 1.00 . A A . 11 LYS O 1 1 11 5422 1 1 12 SER C C -16.674 -1.507 3.962 1.00 . A A . 12 SER C 1 1 11 5423 1 1 12 SER CA C -17.176 -2.143 5.259 1.00 . A A . 12 SER CA 1 1 11 5424 1 1 12 SER CB C -18.679 -1.937 5.382 1.00 . A A . 12 SER CB 1 1 11 5425 1 1 12 SER H H -16.112 -0.726 6.427 1.00 . A A . 12 SER H 1 1 11 5426 1 1 12 SER HA H -16.986 -3.195 5.219 1.00 . A A . 12 SER HA 1 1 11 5427 1 1 12 SER HB2 H -19.064 -2.561 6.175 1.00 . A A . 12 SER HB2 1 1 11 5428 1 1 12 SER HB3 H -18.870 -0.908 5.612 1.00 . A A . 12 SER HB3 1 1 11 5429 1 1 12 SER HG H -19.288 -3.217 4.027 1.00 . A A . 12 SER HG 1 1 11 5430 1 1 12 SER N N -16.505 -1.620 6.448 1.00 . A A . 12 SER N 1 1 11 5431 1 1 12 SER O O -17.339 -1.601 2.931 1.00 . A A . 12 SER O 1 1 11 5432 1 1 12 SER OG O -19.347 -2.270 4.176 1.00 . A A . 12 SER OG 1 1 11 5433 1 1 13 GLY C C -13.489 -0.122 2.777 1.00 . A A . 13 GLY C 1 1 11 5434 1 1 13 GLY CA C -14.997 -0.234 2.796 1.00 . A A . 13 GLY CA 1 1 11 5435 1 1 13 GLY H H -15.012 -0.806 4.840 1.00 . A A . 13 GLY H 1 1 11 5436 1 1 13 GLY HA2 H -15.311 -0.816 1.942 1.00 . A A . 13 GLY HA2 1 1 11 5437 1 1 13 GLY HA3 H -15.421 0.756 2.714 1.00 . A A . 13 GLY HA3 1 1 11 5438 1 1 13 GLY N N -15.513 -0.861 4.000 1.00 . A A . 13 GLY N 1 1 11 5439 1 1 13 GLY O O -12.853 0.003 3.825 1.00 . A A . 13 GLY O 1 1 11 5440 1 1 14 CYS C C -11.093 1.409 1.174 1.00 . A A . 14 CYS C 1 1 11 5441 1 1 14 CYS CA C -11.474 -0.040 1.408 1.00 . A A . 14 CYS CA 1 1 11 5442 1 1 14 CYS CB C -10.982 -0.916 0.256 1.00 . A A . 14 CYS CB 1 1 11 5443 1 1 14 CYS H H -13.483 -0.249 0.782 1.00 . A A . 14 CYS H 1 1 11 5444 1 1 14 CYS HA H -10.999 -0.359 2.313 1.00 . A A . 14 CYS HA 1 1 11 5445 1 1 14 CYS HB2 H -11.469 -0.605 -0.654 1.00 . A A . 14 CYS HB2 1 1 11 5446 1 1 14 CYS HB3 H -9.917 -0.773 0.152 1.00 . A A . 14 CYS HB3 1 1 11 5447 1 1 14 CYS N N -12.917 -0.155 1.576 1.00 . A A . 14 CYS N 1 1 11 5448 1 1 14 CYS O O -11.722 2.113 0.385 1.00 . A A . 14 CYS O 1 1 11 5449 1 1 14 CYS SG S -11.276 -2.714 0.451 1.00 . A A . 14 CYS SG 1 1 11 5450 1 1 15 SER C C -8.075 3.290 1.804 1.00 . A A . 15 SER C 1 1 11 5451 1 1 15 SER CA C -9.596 3.225 1.769 1.00 . A A . 15 SER CA 1 1 11 5452 1 1 15 SER CB C -10.193 4.069 2.897 1.00 . A A . 15 SER CB 1 1 11 5453 1 1 15 SER H H -9.611 1.230 2.499 1.00 . A A . 15 SER H 1 1 11 5454 1 1 15 SER HA H -9.937 3.614 0.822 1.00 . A A . 15 SER HA 1 1 11 5455 1 1 15 SER HB2 H -11.206 4.341 2.640 1.00 . A A . 15 SER HB2 1 1 11 5456 1 1 15 SER HB3 H -10.197 3.495 3.811 1.00 . A A . 15 SER HB3 1 1 11 5457 1 1 15 SER HG H -9.764 5.943 2.516 1.00 . A A . 15 SER HG 1 1 11 5458 1 1 15 SER N N -10.063 1.848 1.880 1.00 . A A . 15 SER N 1 1 11 5459 1 1 15 SER O O -7.406 2.265 1.930 1.00 . A A . 15 SER O 1 1 11 5460 1 1 15 SER OG O -9.448 5.257 3.108 1.00 . A A . 15 SER OG 1 1 11 5461 1 1 16 VAL C C -5.677 5.834 2.602 1.00 . A A . 16 VAL C 1 1 11 5462 1 1 16 VAL CA C -6.091 4.691 1.686 1.00 . A A . 16 VAL CA 1 1 11 5463 1 1 16 VAL CB C -5.541 4.995 0.280 1.00 . A A . 16 VAL CB 1 1 11 5464 1 1 16 VAL CG1 C -4.029 5.062 0.300 1.00 . A A . 16 VAL CG1 1 1 11 5465 1 1 16 VAL CG2 C -5.969 3.950 -0.708 1.00 . A A . 16 VAL CG2 1 1 11 5466 1 1 16 VAL H H -8.122 5.277 1.568 1.00 . A A . 16 VAL H 1 1 11 5467 1 1 16 VAL HA H -5.637 3.778 2.036 1.00 . A A . 16 VAL HA 1 1 11 5468 1 1 16 VAL HB H -5.928 5.950 -0.041 1.00 . A A . 16 VAL HB 1 1 11 5469 1 1 16 VAL HG11 H -3.711 6.051 0.035 1.00 . A A . 16 VAL HG11 1 1 11 5470 1 1 16 VAL HG12 H -3.630 4.350 -0.410 1.00 . A A . 16 VAL HG12 1 1 11 5471 1 1 16 VAL HG13 H -3.672 4.815 1.286 1.00 . A A . 16 VAL HG13 1 1 11 5472 1 1 16 VAL HG21 H -5.262 3.941 -1.528 1.00 . A A . 16 VAL HG21 1 1 11 5473 1 1 16 VAL HG22 H -6.955 4.183 -1.076 1.00 . A A . 16 VAL HG22 1 1 11 5474 1 1 16 VAL HG23 H -5.969 2.990 -0.218 1.00 . A A . 16 VAL HG23 1 1 11 5475 1 1 16 VAL N N -7.535 4.499 1.677 1.00 . A A . 16 VAL N 1 1 11 5476 1 1 16 VAL O O -5.976 6.997 2.333 1.00 . A A . 16 VAL O 1 1 11 5477 1 1 17 ASN C C -3.464 7.423 3.863 1.00 . A A . 17 ASN C 1 1 11 5478 1 1 17 ASN CA C -4.468 6.522 4.586 1.00 . A A . 17 ASN CA 1 1 11 5479 1 1 17 ASN CB C -3.819 5.874 5.814 1.00 . A A . 17 ASN CB 1 1 11 5480 1 1 17 ASN CG C -4.522 6.252 7.104 1.00 . A A . 17 ASN CG 1 1 11 5481 1 1 17 ASN H H -4.725 4.558 3.814 1.00 . A A . 17 ASN H 1 1 11 5482 1 1 17 ASN HA H -5.311 7.120 4.901 1.00 . A A . 17 ASN HA 1 1 11 5483 1 1 17 ASN HB2 H -3.857 4.801 5.707 1.00 . A A . 17 ASN HB2 1 1 11 5484 1 1 17 ASN HB3 H -2.787 6.190 5.881 1.00 . A A . 17 ASN HB3 1 1 11 5485 1 1 17 ASN HD21 H -3.567 4.806 8.081 1.00 . A A . 17 ASN HD21 1 1 11 5486 1 1 17 ASN HD22 H -4.658 5.756 9.025 1.00 . A A . 17 ASN HD22 1 1 11 5487 1 1 17 ASN N N -4.956 5.502 3.665 1.00 . A A . 17 ASN N 1 1 11 5488 1 1 17 ASN ND2 N -4.218 5.531 8.178 1.00 . A A . 17 ASN ND2 1 1 11 5489 1 1 17 ASN O O -3.155 8.526 4.313 1.00 . A A . 17 ASN O 1 1 11 5490 1 1 17 ASN OD1 O -5.326 7.183 7.135 1.00 . A A . 17 ASN OD1 1 1 11 5491 1 1 18 TRP C C -0.687 7.832 2.603 1.00 . A A . 18 TRP C 1 1 11 5492 1 1 18 TRP CA C -2.015 7.654 1.898 1.00 . A A . 18 TRP CA 1 1 11 5493 1 1 18 TRP CB C -2.614 8.979 1.440 1.00 . A A . 18 TRP CB 1 1 11 5494 1 1 18 TRP CD1 C -5.003 8.927 0.517 1.00 . A A . 18 TRP CD1 1 1 11 5495 1 1 18 TRP CD2 C -3.440 8.241 -0.918 1.00 . A A . 18 TRP CD2 1 1 11 5496 1 1 18 TRP CE2 C -4.688 8.152 -1.548 1.00 . A A . 18 TRP CE2 1 1 11 5497 1 1 18 TRP CE3 C -2.302 7.857 -1.622 1.00 . A A . 18 TRP CE3 1 1 11 5498 1 1 18 TRP CG C -3.659 8.753 0.395 1.00 . A A . 18 TRP CG 1 1 11 5499 1 1 18 TRP CH2 C -3.701 7.321 -3.518 1.00 . A A . 18 TRP CH2 1 1 11 5500 1 1 18 TRP CZ2 C -4.832 7.692 -2.850 1.00 . A A . 18 TRP CZ2 1 1 11 5501 1 1 18 TRP CZ3 C -2.443 7.397 -2.914 1.00 . A A . 18 TRP CZ3 1 1 11 5502 1 1 18 TRP H H -3.264 6.051 2.431 1.00 . A A . 18 TRP H 1 1 11 5503 1 1 18 TRP HA H -1.833 7.046 1.024 1.00 . A A . 18 TRP HA 1 1 11 5504 1 1 18 TRP HB2 H -3.071 9.483 2.280 1.00 . A A . 18 TRP HB2 1 1 11 5505 1 1 18 TRP HB3 H -1.839 9.602 1.017 1.00 . A A . 18 TRP HB3 1 1 11 5506 1 1 18 TRP HD1 H -5.489 9.288 1.406 1.00 . A A . 18 TRP HD1 1 1 11 5507 1 1 18 TRP HE1 H -6.594 8.624 -0.816 1.00 . A A . 18 TRP HE1 1 1 11 5508 1 1 18 TRP HE3 H -1.329 7.900 -1.163 1.00 . A A . 18 TRP HE3 1 1 11 5509 1 1 18 TRP HH2 H -3.768 6.948 -4.528 1.00 . A A . 18 TRP HH2 1 1 11 5510 1 1 18 TRP HZ2 H -5.797 7.627 -3.331 1.00 . A A . 18 TRP HZ2 1 1 11 5511 1 1 18 TRP HZ3 H -1.571 7.092 -3.474 1.00 . A A . 18 TRP HZ3 1 1 11 5512 1 1 18 TRP N N -2.969 6.930 2.728 1.00 . A A . 18 TRP N 1 1 11 5513 1 1 18 TRP NE1 N -5.630 8.577 -0.651 1.00 . A A . 18 TRP NE1 1 1 11 5514 1 1 18 TRP O O 0.293 7.198 2.223 1.00 . A A . 18 TRP O 1 1 11 5515 1 1 19 GLY C C 1.174 7.465 4.744 1.00 . A A . 19 GLY C 1 1 11 5516 1 1 19 GLY CA C 0.607 8.817 4.354 1.00 . A A . 19 GLY CA 1 1 11 5517 1 1 19 GLY H H -1.451 9.128 3.932 1.00 . A A . 19 GLY H 1 1 11 5518 1 1 19 GLY HA2 H 1.316 9.324 3.707 1.00 . A A . 19 GLY HA2 1 1 11 5519 1 1 19 GLY HA3 H 0.443 9.407 5.242 1.00 . A A . 19 GLY HA3 1 1 11 5520 1 1 19 GLY N N -0.643 8.655 3.640 1.00 . A A . 19 GLY N 1 1 11 5521 1 1 19 GLY O O 2.389 7.291 4.845 1.00 . A A . 19 GLY O 1 1 11 5522 1 1 20 GLU C C 1.192 4.448 4.007 1.00 . A A . 20 GLU C 1 1 11 5523 1 1 20 GLU CA C 0.660 5.134 5.259 1.00 . A A . 20 GLU CA 1 1 11 5524 1 1 20 GLU CB C -0.541 4.366 5.822 1.00 . A A . 20 GLU CB 1 1 11 5525 1 1 20 GLU CD C -1.221 5.833 7.772 1.00 . A A . 20 GLU CD 1 1 11 5526 1 1 20 GLU CG C -0.680 4.486 7.329 1.00 . A A . 20 GLU CG 1 1 11 5527 1 1 20 GLU H H -0.675 6.700 4.804 1.00 . A A . 20 GLU H 1 1 11 5528 1 1 20 GLU HA H 1.443 5.175 6.003 1.00 . A A . 20 GLU HA 1 1 11 5529 1 1 20 GLU HB2 H -1.444 4.743 5.365 1.00 . A A . 20 GLU HB2 1 1 11 5530 1 1 20 GLU HB3 H -0.435 3.321 5.576 1.00 . A A . 20 GLU HB3 1 1 11 5531 1 1 20 GLU HG2 H -1.352 3.717 7.675 1.00 . A A . 20 GLU HG2 1 1 11 5532 1 1 20 GLU HG3 H 0.290 4.341 7.775 1.00 . A A . 20 GLU HG3 1 1 11 5533 1 1 20 GLU N N 0.275 6.496 4.925 1.00 . A A . 20 GLU N 1 1 11 5534 1 1 20 GLU O O 2.191 3.729 4.045 1.00 . A A . 20 GLU O 1 1 11 5535 1 1 20 GLU OE1 O -1.082 6.811 7.008 1.00 . A A . 20 GLU OE1 1 1 11 5536 1 1 20 GLU OE2 O -1.782 5.909 8.884 1.00 . A A . 20 GLU OE2 1 1 11 5537 1 1 21 ALA C C 2.201 4.802 1.135 1.00 . A A . 21 ALA C 1 1 11 5538 1 1 21 ALA CA C 0.910 4.158 1.599 1.00 . A A . 21 ALA CA 1 1 11 5539 1 1 21 ALA CB C -0.172 4.425 0.580 1.00 . A A . 21 ALA CB 1 1 11 5540 1 1 21 ALA H H -0.263 5.306 2.930 1.00 . A A . 21 ALA H 1 1 11 5541 1 1 21 ALA HA H 1.045 3.089 1.698 1.00 . A A . 21 ALA HA 1 1 11 5542 1 1 21 ALA HB1 H -1.115 4.557 1.087 1.00 . A A . 21 ALA HB1 1 1 11 5543 1 1 21 ALA HB2 H -0.237 3.592 -0.102 1.00 . A A . 21 ALA HB2 1 1 11 5544 1 1 21 ALA HB3 H 0.073 5.324 0.036 1.00 . A A . 21 ALA HB3 1 1 11 5545 1 1 21 ALA N N 0.517 4.710 2.889 1.00 . A A . 21 ALA N 1 1 11 5546 1 1 21 ALA O O 3.071 4.150 0.560 1.00 . A A . 21 ALA O 1 1 11 5547 1 1 22 PHE C C 4.703 6.217 1.741 1.00 . A A . 22 PHE C 1 1 11 5548 1 1 22 PHE CA C 3.505 6.849 1.064 1.00 . A A . 22 PHE CA 1 1 11 5549 1 1 22 PHE CB C 3.345 8.299 1.519 1.00 . A A . 22 PHE CB 1 1 11 5550 1 1 22 PHE CD1 C 5.685 9.119 1.892 1.00 . A A . 22 PHE CD1 1 1 11 5551 1 1 22 PHE CD2 C 4.434 10.047 0.089 1.00 . A A . 22 PHE CD2 1 1 11 5552 1 1 22 PHE CE1 C 6.761 9.921 1.562 1.00 . A A . 22 PHE CE1 1 1 11 5553 1 1 22 PHE CE2 C 5.506 10.852 -0.246 1.00 . A A . 22 PHE CE2 1 1 11 5554 1 1 22 PHE CG C 4.512 9.173 1.160 1.00 . A A . 22 PHE CG 1 1 11 5555 1 1 22 PHE CZ C 6.671 10.788 0.492 1.00 . A A . 22 PHE CZ 1 1 11 5556 1 1 22 PHE H H 1.594 6.543 1.898 1.00 . A A . 22 PHE H 1 1 11 5557 1 1 22 PHE HA H 3.632 6.815 -0.010 1.00 . A A . 22 PHE HA 1 1 11 5558 1 1 22 PHE HB2 H 2.462 8.718 1.061 1.00 . A A . 22 PHE HB2 1 1 11 5559 1 1 22 PHE HB3 H 3.228 8.316 2.595 1.00 . A A . 22 PHE HB3 1 1 11 5560 1 1 22 PHE HD1 H 5.758 8.441 2.730 1.00 . A A . 22 PHE HD1 1 1 11 5561 1 1 22 PHE HD2 H 3.522 10.099 -0.489 1.00 . A A . 22 PHE HD2 1 1 11 5562 1 1 22 PHE HE1 H 7.672 9.868 2.140 1.00 . A A . 22 PHE HE1 1 1 11 5563 1 1 22 PHE HE2 H 5.433 11.530 -1.083 1.00 . A A . 22 PHE HE2 1 1 11 5564 1 1 22 PHE HZ H 7.511 11.416 0.232 1.00 . A A . 22 PHE HZ 1 1 11 5565 1 1 22 PHE N N 2.320 6.093 1.420 1.00 . A A . 22 PHE N 1 1 11 5566 1 1 22 PHE O O 5.782 6.108 1.161 1.00 . A A . 22 PHE O 1 1 11 5567 1 1 23 SER C C 5.857 3.759 3.055 1.00 . A A . 23 SER C 1 1 11 5568 1 1 23 SER CA C 5.522 5.084 3.729 1.00 . A A . 23 SER CA 1 1 11 5569 1 1 23 SER CB C 5.067 4.845 5.171 1.00 . A A . 23 SER CB 1 1 11 5570 1 1 23 SER H H 3.576 5.852 3.347 1.00 . A A . 23 SER H 1 1 11 5571 1 1 23 SER HA H 6.403 5.712 3.728 1.00 . A A . 23 SER HA 1 1 11 5572 1 1 23 SER HB2 H 4.940 5.795 5.670 1.00 . A A . 23 SER HB2 1 1 11 5573 1 1 23 SER HB3 H 4.126 4.314 5.167 1.00 . A A . 23 SER HB3 1 1 11 5574 1 1 23 SER HG H 6.173 4.481 6.747 1.00 . A A . 23 SER HG 1 1 11 5575 1 1 23 SER N N 4.480 5.759 2.965 1.00 . A A . 23 SER N 1 1 11 5576 1 1 23 SER O O 6.994 3.286 3.103 1.00 . A A . 23 SER O 1 1 11 5577 1 1 23 SER OG O 6.020 4.080 5.889 1.00 . A A . 23 SER OG 1 1 11 5578 1 1 24 ALA C C 5.775 2.130 0.413 1.00 . A A . 24 ALA C 1 1 11 5579 1 1 24 ALA CA C 5.012 1.912 1.710 1.00 . A A . 24 ALA CA 1 1 11 5580 1 1 24 ALA CB C 3.653 1.295 1.418 1.00 . A A . 24 ALA CB 1 1 11 5581 1 1 24 ALA H H 3.970 3.612 2.409 1.00 . A A . 24 ALA H 1 1 11 5582 1 1 24 ALA HA H 5.568 1.236 2.344 1.00 . A A . 24 ALA HA 1 1 11 5583 1 1 24 ALA HB1 H 3.749 0.221 1.356 1.00 . A A . 24 ALA HB1 1 1 11 5584 1 1 24 ALA HB2 H 3.281 1.678 0.479 1.00 . A A . 24 ALA HB2 1 1 11 5585 1 1 24 ALA HB3 H 2.963 1.551 2.208 1.00 . A A . 24 ALA HB3 1 1 11 5586 1 1 24 ALA N N 4.848 3.174 2.414 1.00 . A A . 24 ALA N 1 1 11 5587 1 1 24 ALA O O 6.737 1.422 0.114 1.00 . A A . 24 ALA O 1 1 11 5588 1 1 25 GLY C C 7.436 3.864 -1.405 1.00 . A A . 25 GLY C 1 1 11 5589 1 1 25 GLY CA C 5.995 3.435 -1.604 1.00 . A A . 25 GLY CA 1 1 11 5590 1 1 25 GLY H H 4.571 3.656 -0.056 1.00 . A A . 25 GLY H 1 1 11 5591 1 1 25 GLY HA2 H 5.974 2.558 -2.236 1.00 . A A . 25 GLY HA2 1 1 11 5592 1 1 25 GLY HA3 H 5.456 4.231 -2.094 1.00 . A A . 25 GLY HA3 1 1 11 5593 1 1 25 GLY N N 5.341 3.125 -0.350 1.00 . A A . 25 GLY N 1 1 11 5594 1 1 25 GLY O O 8.296 3.564 -2.229 1.00 . A A . 25 GLY O 1 1 11 5595 1 1 26 VAL C C 9.987 3.853 0.223 1.00 . A A . 26 VAL C 1 1 11 5596 1 1 26 VAL CA C 9.057 5.031 -0.017 1.00 . A A . 26 VAL CA 1 1 11 5597 1 1 26 VAL CB C 9.093 5.957 1.218 1.00 . A A . 26 VAL CB 1 1 11 5598 1 1 26 VAL CG1 C 10.523 6.351 1.557 1.00 . A A . 26 VAL CG1 1 1 11 5599 1 1 26 VAL CG2 C 8.240 7.193 0.992 1.00 . A A . 26 VAL CG2 1 1 11 5600 1 1 26 VAL H H 6.979 4.780 0.316 1.00 . A A . 26 VAL H 1 1 11 5601 1 1 26 VAL HA H 9.417 5.588 -0.877 1.00 . A A . 26 VAL HA 1 1 11 5602 1 1 26 VAL HB H 8.683 5.414 2.061 1.00 . A A . 26 VAL HB 1 1 11 5603 1 1 26 VAL HG11 H 11.018 5.524 2.044 1.00 . A A . 26 VAL HG11 1 1 11 5604 1 1 26 VAL HG12 H 10.514 7.206 2.217 1.00 . A A . 26 VAL HG12 1 1 11 5605 1 1 26 VAL HG13 H 11.050 6.602 0.648 1.00 . A A . 26 VAL HG13 1 1 11 5606 1 1 26 VAL HG21 H 8.878 8.031 0.752 1.00 . A A . 26 VAL HG21 1 1 11 5607 1 1 26 VAL HG22 H 7.682 7.410 1.891 1.00 . A A . 26 VAL HG22 1 1 11 5608 1 1 26 VAL HG23 H 7.557 7.013 0.176 1.00 . A A . 26 VAL HG23 1 1 11 5609 1 1 26 VAL N N 7.704 4.568 -0.309 1.00 . A A . 26 VAL N 1 1 11 5610 1 1 26 VAL O O 11.128 3.853 -0.233 1.00 . A A . 26 VAL O 1 1 11 5611 1 1 27 HIS C C 10.700 1.003 -0.115 1.00 . A A . 27 HIS C 1 1 11 5612 1 1 27 HIS CA C 10.317 1.666 1.202 1.00 . A A . 27 HIS CA 1 1 11 5613 1 1 27 HIS CB C 9.563 0.681 2.098 1.00 . A A . 27 HIS CB 1 1 11 5614 1 1 27 HIS CD2 C 8.008 0.931 4.154 1.00 . A A . 27 HIS CD2 1 1 11 5615 1 1 27 HIS CE1 C 8.876 2.768 4.971 1.00 . A A . 27 HIS CE1 1 1 11 5616 1 1 27 HIS CG C 9.025 1.304 3.340 1.00 . A A . 27 HIS CG 1 1 11 5617 1 1 27 HIS H H 8.580 2.883 1.271 1.00 . A A . 27 HIS H 1 1 11 5618 1 1 27 HIS HA H 11.218 1.992 1.708 1.00 . A A . 27 HIS HA 1 1 11 5619 1 1 27 HIS HB2 H 8.733 0.264 1.552 1.00 . A A . 27 HIS HB2 1 1 11 5620 1 1 27 HIS HB3 H 10.231 -0.113 2.392 1.00 . A A . 27 HIS HB3 1 1 11 5621 1 1 27 HIS HD1 H 10.298 2.970 3.519 1.00 . A A . 27 HIS HD1 1 1 11 5622 1 1 27 HIS HD2 H 7.374 0.065 4.032 1.00 . A A . 27 HIS HD2 1 1 11 5623 1 1 27 HIS HE1 H 9.060 3.622 5.594 1.00 . A A . 27 HIS HE1 1 1 11 5624 1 1 27 HIS HE2 H 7.253 1.890 5.860 1.00 . A A . 27 HIS HE2 1 1 11 5625 1 1 27 HIS N N 9.502 2.841 0.931 1.00 . A A . 27 HIS N 1 1 11 5626 1 1 27 HIS ND1 N 9.545 2.456 3.882 1.00 . A A . 27 HIS ND1 1 1 11 5627 1 1 27 HIS NE2 N 7.937 1.859 5.161 1.00 . A A . 27 HIS NE2 1 1 11 5628 1 1 27 HIS O O 11.817 0.521 -0.280 1.00 . A A . 27 HIS O 1 1 11 5629 1 1 28 ARG C C 10.915 1.327 -3.208 1.00 . A A . 28 ARG C 1 1 11 5630 1 1 28 ARG CA C 9.990 0.434 -2.379 1.00 . A A . 28 ARG CA 1 1 11 5631 1 1 28 ARG CB C 8.650 0.250 -3.102 1.00 . A A . 28 ARG CB 1 1 11 5632 1 1 28 ARG CD C 8.710 -1.777 -4.592 1.00 . A A . 28 ARG CD 1 1 11 5633 1 1 28 ARG CG C 8.782 -0.259 -4.530 1.00 . A A . 28 ARG CG 1 1 11 5634 1 1 28 ARG CZ C 10.239 -3.691 -4.862 1.00 . A A . 28 ARG CZ 1 1 11 5635 1 1 28 ARG H H 8.898 1.424 -0.863 1.00 . A A . 28 ARG H 1 1 11 5636 1 1 28 ARG HA H 10.455 -0.532 -2.250 1.00 . A A . 28 ARG HA 1 1 11 5637 1 1 28 ARG HB2 H 8.050 -0.456 -2.548 1.00 . A A . 28 ARG HB2 1 1 11 5638 1 1 28 ARG HB3 H 8.138 1.200 -3.130 1.00 . A A . 28 ARG HB3 1 1 11 5639 1 1 28 ARG HD2 H 8.278 -2.143 -3.672 1.00 . A A . 28 ARG HD2 1 1 11 5640 1 1 28 ARG HD3 H 8.081 -2.061 -5.423 1.00 . A A . 28 ARG HD3 1 1 11 5641 1 1 28 ARG HE H 10.798 -1.775 -4.821 1.00 . A A . 28 ARG HE 1 1 11 5642 1 1 28 ARG HG2 H 7.980 0.154 -5.123 1.00 . A A . 28 ARG HG2 1 1 11 5643 1 1 28 ARG HG3 H 9.732 0.063 -4.931 1.00 . A A . 28 ARG HG3 1 1 11 5644 1 1 28 ARG HH11 H 8.292 -4.198 -4.663 1.00 . A A . 28 ARG HH11 1 1 11 5645 1 1 28 ARG HH12 H 9.387 -5.524 -4.861 1.00 . A A . 28 ARG HH12 1 1 11 5646 1 1 28 ARG HH21 H 12.241 -3.522 -5.081 1.00 . A A . 28 ARG HH21 1 1 11 5647 1 1 28 ARG HH22 H 11.626 -5.142 -5.098 1.00 . A A . 28 ARG HH22 1 1 11 5648 1 1 28 ARG N N 9.763 1.007 -1.057 1.00 . A A . 28 ARG N 1 1 11 5649 1 1 28 ARG NE N 10.029 -2.379 -4.768 1.00 . A A . 28 ARG NE 1 1 11 5650 1 1 28 ARG NH1 N 9.222 -4.541 -4.789 1.00 . A A . 28 ARG NH1 1 1 11 5651 1 1 28 ARG NH2 N 11.470 -4.157 -5.027 1.00 . A A . 28 ARG NH2 1 1 11 5652 1 1 28 ARG O O 11.856 0.850 -3.843 1.00 . A A . 28 ARG O 1 1 11 5653 1 1 29 LEU C C 12.767 3.843 -3.363 1.00 . A A . 29 LEU C 1 1 11 5654 1 1 29 LEU CA C 11.393 3.611 -3.959 1.00 . A A . 29 LEU CA 1 1 11 5655 1 1 29 LEU CB C 10.651 4.944 -3.982 1.00 . A A . 29 LEU CB 1 1 11 5656 1 1 29 LEU CD1 C 8.807 6.337 -4.919 1.00 . A A . 29 LEU CD1 1 1 11 5657 1 1 29 LEU CD2 C 9.399 4.153 -5.983 1.00 . A A . 29 LEU CD2 1 1 11 5658 1 1 29 LEU CG C 9.300 4.922 -4.680 1.00 . A A . 29 LEU CG 1 1 11 5659 1 1 29 LEU H H 9.851 2.934 -2.682 1.00 . A A . 29 LEU H 1 1 11 5660 1 1 29 LEU HA H 11.499 3.256 -4.965 1.00 . A A . 29 LEU HA 1 1 11 5661 1 1 29 LEU HB2 H 10.499 5.262 -2.961 1.00 . A A . 29 LEU HB2 1 1 11 5662 1 1 29 LEU HB3 H 11.275 5.671 -4.479 1.00 . A A . 29 LEU HB3 1 1 11 5663 1 1 29 LEU HD11 H 9.654 7.003 -4.991 1.00 . A A . 29 LEU HD11 1 1 11 5664 1 1 29 LEU HD12 H 8.180 6.642 -4.094 1.00 . A A . 29 LEU HD12 1 1 11 5665 1 1 29 LEU HD13 H 8.240 6.373 -5.837 1.00 . A A . 29 LEU HD13 1 1 11 5666 1 1 29 LEU HD21 H 10.095 4.650 -6.640 1.00 . A A . 29 LEU HD21 1 1 11 5667 1 1 29 LEU HD22 H 8.427 4.106 -6.450 1.00 . A A . 29 LEU HD22 1 1 11 5668 1 1 29 LEU HD23 H 9.751 3.154 -5.777 1.00 . A A . 29 LEU HD23 1 1 11 5669 1 1 29 LEU HG H 8.586 4.421 -4.047 1.00 . A A . 29 LEU HG 1 1 11 5670 1 1 29 LEU N N 10.620 2.626 -3.204 1.00 . A A . 29 LEU N 1 1 11 5671 1 1 29 LEU O O 13.794 3.713 -4.029 1.00 . A A . 29 LEU O 1 1 11 5672 1 1 30 ALA C C 14.880 3.366 -1.135 1.00 . A A . 30 ALA C 1 1 11 5673 1 1 30 ALA CA C 13.961 4.568 -1.369 1.00 . A A . 30 ALA CA 1 1 11 5674 1 1 30 ALA CB C 13.577 5.199 -0.041 1.00 . A A . 30 ALA CB 1 1 11 5675 1 1 30 ALA H H 11.873 4.354 -1.678 1.00 . A A . 30 ALA H 1 1 11 5676 1 1 30 ALA HA H 14.501 5.307 -1.938 1.00 . A A . 30 ALA HA 1 1 11 5677 1 1 30 ALA HB1 H 13.697 4.474 0.750 1.00 . A A . 30 ALA HB1 1 1 11 5678 1 1 30 ALA HB2 H 12.546 5.519 -0.084 1.00 . A A . 30 ALA HB2 1 1 11 5679 1 1 30 ALA HB3 H 14.211 6.051 0.150 1.00 . A A . 30 ALA HB3 1 1 11 5680 1 1 30 ALA N N 12.748 4.238 -2.109 1.00 . A A . 30 ALA N 1 1 11 5681 1 1 30 ALA O O 15.978 3.528 -0.601 1.00 . A A . 30 ALA O 1 1 11 5682 1 1 31 ASN C C 16.304 0.870 -2.494 1.00 . A A . 31 ASN C 1 1 11 5683 1 1 31 ASN CA C 15.293 0.988 -1.355 1.00 . A A . 31 ASN CA 1 1 11 5684 1 1 31 ASN CB C 14.441 -0.281 -1.270 1.00 . A A . 31 ASN CB 1 1 11 5685 1 1 31 ASN CG C 15.283 -1.543 -1.195 1.00 . A A . 31 ASN CG 1 1 11 5686 1 1 31 ASN H H 13.581 2.084 -1.961 1.00 . A A . 31 ASN H 1 1 11 5687 1 1 31 ASN HA H 15.835 1.109 -0.429 1.00 . A A . 31 ASN HA 1 1 11 5688 1 1 31 ASN HB2 H 13.832 -0.233 -0.381 1.00 . A A . 31 ASN HB2 1 1 11 5689 1 1 31 ASN HB3 H 13.804 -0.343 -2.140 1.00 . A A . 31 ASN HB3 1 1 11 5690 1 1 31 ASN HD21 H 14.377 -2.276 -2.806 1.00 . A A . 31 ASN HD21 1 1 11 5691 1 1 31 ASN HD22 H 15.591 -3.284 -2.104 1.00 . A A . 31 ASN HD22 1 1 11 5692 1 1 31 ASN N N 14.457 2.172 -1.535 1.00 . A A . 31 ASN N 1 1 11 5693 1 1 31 ASN ND2 N 15.061 -2.460 -2.130 1.00 . A A . 31 ASN ND2 1 1 11 5694 1 1 31 ASN O O 16.228 -0.046 -3.314 1.00 . A A . 31 ASN O 1 1 11 5695 1 1 31 ASN OD1 O 16.124 -1.689 -0.308 1.00 . A A . 31 ASN OD1 1 1 11 5696 1 1 32 GLY C C 19.558 2.433 -3.143 1.00 . A A . 32 GLY C 1 1 11 5697 1 1 32 GLY CA C 18.258 1.788 -3.582 1.00 . A A . 32 GLY CA 1 1 11 5698 1 1 32 GLY H H 17.257 2.512 -1.861 1.00 . A A . 32 GLY H 1 1 11 5699 1 1 32 GLY HA2 H 18.455 0.763 -3.860 1.00 . A A . 32 GLY HA2 1 1 11 5700 1 1 32 GLY HA3 H 17.880 2.317 -4.442 1.00 . A A . 32 GLY HA3 1 1 11 5701 1 1 32 GLY N N 17.248 1.805 -2.540 1.00 . A A . 32 GLY N 1 1 11 5702 1 1 32 GLY O O 20.500 1.743 -2.752 1.00 . A A . 32 GLY O 1 1 11 5703 1 1 33 GLY C C 20.906 4.677 -1.316 1.00 . A A . 33 GLY C 1 1 11 5704 1 1 33 GLY CA C 20.812 4.473 -2.815 1.00 . A A . 33 GLY CA 1 1 11 5705 1 1 33 GLY H H 18.832 4.259 -3.526 1.00 . A A . 33 GLY H 1 1 11 5706 1 1 33 GLY HA2 H 21.676 3.915 -3.147 1.00 . A A . 33 GLY HA2 1 1 11 5707 1 1 33 GLY HA3 H 20.816 5.440 -3.299 1.00 . A A . 33 GLY HA3 1 1 11 5708 1 1 33 GLY N N 19.613 3.760 -3.208 1.00 . A A . 33 GLY N 1 1 11 5709 1 1 33 GLY O O 20.614 3.769 -0.539 1.00 . A A . 33 GLY O 1 1 11 5710 1 1 34 ASN C C 21.301 7.699 0.734 1.00 . A A . 34 ASN C 1 1 11 5711 1 1 34 ASN CA C 21.456 6.199 0.503 1.00 . A A . 34 ASN CA 1 1 11 5712 1 1 34 ASN CB C 22.815 5.729 1.023 1.00 . A A . 34 ASN CB 1 1 11 5713 1 1 34 ASN CG C 23.971 6.321 0.241 1.00 . A A . 34 ASN CG 1 1 11 5714 1 1 34 ASN H H 21.536 6.552 -1.582 1.00 . A A . 34 ASN H 1 1 11 5715 1 1 34 ASN HA H 20.675 5.681 1.040 1.00 . A A . 34 ASN HA 1 1 11 5716 1 1 34 ASN HB2 H 22.918 6.021 2.058 1.00 . A A . 34 ASN HB2 1 1 11 5717 1 1 34 ASN HB3 H 22.870 4.652 0.950 1.00 . A A . 34 ASN HB3 1 1 11 5718 1 1 34 ASN HD21 H 25.157 6.169 1.831 1.00 . A A . 34 ASN HD21 1 1 11 5719 1 1 34 ASN HD22 H 25.884 6.837 0.413 1.00 . A A . 34 ASN HD22 1 1 11 5720 1 1 34 ASN N N 21.319 5.872 -0.912 1.00 . A A . 34 ASN N 1 1 11 5721 1 1 34 ASN ND2 N 25.120 6.456 0.895 1.00 . A A . 34 ASN ND2 1 1 11 5722 1 1 34 ASN O O 22.078 8.501 0.217 1.00 . A A . 34 ASN O 1 1 11 5723 1 1 34 ASN OD1 O 23.833 6.655 -0.935 1.00 . A A . 34 ASN OD1 1 1 11 5724 1 1 35 GLY C C 19.365 10.199 0.671 1.00 . A A . 35 GLY C 1 1 11 5725 1 1 35 GLY CA C 20.056 9.474 1.810 1.00 . A A . 35 GLY CA 1 1 11 5726 1 1 35 GLY H H 19.708 7.386 1.902 1.00 . A A . 35 GLY H 1 1 11 5727 1 1 35 GLY HA2 H 19.438 9.544 2.696 1.00 . A A . 35 GLY HA2 1 1 11 5728 1 1 35 GLY HA3 H 21.002 9.955 2.007 1.00 . A A . 35 GLY HA3 1 1 11 5729 1 1 35 GLY N N 20.294 8.070 1.517 1.00 . A A . 35 GLY N 1 1 11 5730 1 1 35 GLY O O 19.555 9.858 -0.496 1.00 . A A . 35 GLY O 1 1 11 5731 1 1 36 PHE C C 18.748 12.995 -0.659 1.00 . A A . 36 PHE C 1 1 11 5732 1 1 36 PHE CA C 17.834 11.972 0.008 1.00 . A A . 36 PHE CA 1 1 11 5733 1 1 36 PHE CB C 16.632 12.675 0.642 1.00 . A A . 36 PHE CB 1 1 11 5734 1 1 36 PHE CD1 C 14.565 12.069 -0.642 1.00 . A A . 36 PHE CD1 1 1 11 5735 1 1 36 PHE CD2 C 14.920 11.043 1.481 1.00 . A A . 36 PHE CD2 1 1 11 5736 1 1 36 PHE CE1 C 13.383 11.368 -0.786 1.00 . A A . 36 PHE CE1 1 1 11 5737 1 1 36 PHE CE2 C 13.739 10.340 1.343 1.00 . A A . 36 PHE CE2 1 1 11 5738 1 1 36 PHE CG C 15.346 11.914 0.492 1.00 . A A . 36 PHE CG 1 1 11 5739 1 1 36 PHE CZ C 12.970 10.503 0.207 1.00 . A A . 36 PHE CZ 1 1 11 5740 1 1 36 PHE H H 18.444 11.422 1.959 1.00 . A A . 36 PHE H 1 1 11 5741 1 1 36 PHE HA H 17.478 11.283 -0.744 1.00 . A A . 36 PHE HA 1 1 11 5742 1 1 36 PHE HB2 H 16.817 12.811 1.697 1.00 . A A . 36 PHE HB2 1 1 11 5743 1 1 36 PHE HB3 H 16.503 13.639 0.177 1.00 . A A . 36 PHE HB3 1 1 11 5744 1 1 36 PHE HD1 H 14.889 12.745 -1.420 1.00 . A A . 36 PHE HD1 1 1 11 5745 1 1 36 PHE HD2 H 15.522 10.915 2.369 1.00 . A A . 36 PHE HD2 1 1 11 5746 1 1 36 PHE HE1 H 12.783 11.498 -1.675 1.00 . A A . 36 PHE HE1 1 1 11 5747 1 1 36 PHE HE2 H 13.418 9.665 2.121 1.00 . A A . 36 PHE HE2 1 1 11 5748 1 1 36 PHE HZ H 12.046 9.954 0.096 1.00 . A A . 36 PHE HZ 1 1 11 5749 1 1 36 PHE N N 18.556 11.199 1.011 1.00 . A A . 36 PHE N 1 1 11 5750 1 1 36 PHE O O 18.754 13.130 -1.882 1.00 . A A . 36 PHE O 1 1 11 5751 1 1 37 TRP C C 21.671 14.061 -0.997 1.00 . A A . 37 TRP C 1 1 11 5752 1 1 37 TRP CA C 20.447 14.715 -0.366 1.00 . A A . 37 TRP CA 1 1 11 5753 1 1 37 TRP CB C 20.885 15.665 0.753 1.00 . A A . 37 TRP CB 1 1 11 5754 1 1 37 TRP CD1 C 19.244 15.963 2.697 1.00 . A A . 37 TRP CD1 1 1 11 5755 1 1 37 TRP CD2 C 18.947 17.411 1.016 1.00 . A A . 37 TRP CD2 1 1 11 5756 1 1 37 TRP CE2 C 17.989 17.677 2.011 1.00 . A A . 37 TRP CE2 1 1 11 5757 1 1 37 TRP CE3 C 18.954 18.197 -0.140 1.00 . A A . 37 TRP CE3 1 1 11 5758 1 1 37 TRP CG C 19.740 16.309 1.474 1.00 . A A . 37 TRP CG 1 1 11 5759 1 1 37 TRP CH2 C 17.078 19.450 0.744 1.00 . A A . 37 TRP CH2 1 1 11 5760 1 1 37 TRP CZ2 C 17.048 18.696 1.885 1.00 . A A . 37 TRP CZ2 1 1 11 5761 1 1 37 TRP CZ3 C 18.020 19.208 -0.263 1.00 . A A . 37 TRP CZ3 1 1 11 5762 1 1 37 TRP H H 19.484 13.550 1.118 1.00 . A A . 37 TRP H 1 1 11 5763 1 1 37 TRP HA H 19.924 15.283 -1.124 1.00 . A A . 37 TRP HA 1 1 11 5764 1 1 37 TRP HB2 H 21.465 15.113 1.476 1.00 . A A . 37 TRP HB2 1 1 11 5765 1 1 37 TRP HB3 H 21.498 16.448 0.330 1.00 . A A . 37 TRP HB3 1 1 11 5766 1 1 37 TRP HD1 H 19.633 15.161 3.307 1.00 . A A . 37 TRP HD1 1 1 11 5767 1 1 37 TRP HE1 H 17.668 16.730 3.855 1.00 . A A . 37 TRP HE1 1 1 11 5768 1 1 37 TRP HE3 H 19.673 18.026 -0.929 1.00 . A A . 37 TRP HE3 1 1 11 5769 1 1 37 TRP HH2 H 16.366 20.250 0.605 1.00 . A A . 37 TRP HH2 1 1 11 5770 1 1 37 TRP HZ2 H 16.315 18.895 2.654 1.00 . A A . 37 TRP HZ2 1 1 11 5771 1 1 37 TRP HZ3 H 18.009 19.825 -1.150 1.00 . A A . 37 TRP HZ3 1 1 11 5772 1 1 37 TRP N N 19.527 13.707 0.152 1.00 . A A . 37 TRP N 1 1 11 5773 1 1 37 TRP NE1 N 18.191 16.780 3.027 1.00 . A A . 37 TRP NE1 1 1 11 5774 1 1 37 TRP O O 22.211 13.111 -0.391 1.00 . A A . 37 TRP O 1 1 11 5775 1 1 37 TRP OXT O 22.080 14.502 -2.091 1.00 . A A . 37 TRP OXT 1 1 12 5776 1 1 1 LYS C C -6.574 -4.509 6.351 1.00 . A A . 1 LYS C 1 1 12 5777 1 1 1 LYS CA C -7.588 -5.319 7.134 1.00 . A A . 1 LYS CA 1 1 12 5778 1 1 1 LYS CB C -8.255 -6.316 6.187 1.00 . A A . 1 LYS CB 1 1 12 5779 1 1 1 LYS CD C -10.319 -6.635 4.798 1.00 . A A . 1 LYS CD 1 1 12 5780 1 1 1 LYS CE C -10.580 -6.594 3.300 1.00 . A A . 1 LYS CE 1 1 12 5781 1 1 1 LYS CG C -9.215 -5.670 5.203 1.00 . A A . 1 LYS CG 1 1 12 5782 1 1 1 LYS HA H -7.084 -5.857 7.922 1.00 . A A . 1 LYS HA 1 1 12 5783 1 1 1 LYS HB2 H -7.486 -6.818 5.617 1.00 . A A . 1 LYS HB2 1 1 12 5784 1 1 1 LYS HB3 H -8.800 -7.045 6.767 1.00 . A A . 1 LYS HB3 1 1 12 5785 1 1 1 LYS HD2 H -10.026 -7.638 5.072 1.00 . A A . 1 LYS HD2 1 1 12 5786 1 1 1 LYS HD3 H -11.226 -6.372 5.322 1.00 . A A . 1 LYS HD3 1 1 12 5787 1 1 1 LYS HE2 H -10.054 -5.752 2.877 1.00 . A A . 1 LYS HE2 1 1 12 5788 1 1 1 LYS HE3 H -10.209 -7.508 2.859 1.00 . A A . 1 LYS HE3 1 1 12 5789 1 1 1 LYS HG2 H -9.656 -4.796 5.661 1.00 . A A . 1 LYS HG2 1 1 12 5790 1 1 1 LYS HG3 H -8.663 -5.376 4.321 1.00 . A A . 1 LYS HG3 1 1 12 5791 1 1 1 LYS HZ1 H -12.164 -6.129 2.021 1.00 . A A . 1 LYS HZ1 1 1 12 5792 1 1 1 LYS HZ2 H -12.473 -5.784 3.647 1.00 . A A . 1 LYS HZ2 1 1 12 5793 1 1 1 LYS HZ3 H -12.502 -7.385 3.103 1.00 . A A . 1 LYS HZ3 1 1 12 5794 1 1 1 LYS N N -8.629 -4.444 7.737 1.00 . A A . 1 LYS N 1 1 12 5795 1 1 1 LYS NZ N -12.031 -6.464 2.997 1.00 . A A . 1 LYS NZ 1 1 12 5796 1 1 1 LYS O O -6.891 -3.981 5.290 1.00 . A A . 1 LYS O 1 1 12 5797 1 1 2 TYR C C -3.704 -4.531 5.071 1.00 . A A . 2 TYR C 1 1 12 5798 1 1 2 TYR CA C -4.318 -3.676 6.168 1.00 . A A . 2 TYR CA 1 1 12 5799 1 1 2 TYR CB C -3.238 -3.231 7.141 1.00 . A A . 2 TYR CB 1 1 12 5800 1 1 2 TYR CD1 C -3.810 -0.834 7.407 1.00 . A A . 2 TYR CD1 1 1 12 5801 1 1 2 TYR CD2 C -1.700 -1.365 6.460 1.00 . A A . 2 TYR CD2 1 1 12 5802 1 1 2 TYR CE1 C -3.535 0.507 7.284 1.00 . A A . 2 TYR CE1 1 1 12 5803 1 1 2 TYR CE2 C -1.414 -0.027 6.330 1.00 . A A . 2 TYR CE2 1 1 12 5804 1 1 2 TYR CG C -2.902 -1.783 7.003 1.00 . A A . 2 TYR CG 1 1 12 5805 1 1 2 TYR CZ C -2.335 0.909 6.745 1.00 . A A . 2 TYR CZ 1 1 12 5806 1 1 2 TYR H H -5.145 -4.864 7.704 1.00 . A A . 2 TYR H 1 1 12 5807 1 1 2 TYR HA H -4.775 -2.800 5.728 1.00 . A A . 2 TYR HA 1 1 12 5808 1 1 2 TYR HB2 H -3.583 -3.389 8.147 1.00 . A A . 2 TYR HB2 1 1 12 5809 1 1 2 TYR HB3 H -2.339 -3.800 6.968 1.00 . A A . 2 TYR HB3 1 1 12 5810 1 1 2 TYR HD1 H -4.752 -1.162 7.821 1.00 . A A . 2 TYR HD1 1 1 12 5811 1 1 2 TYR HD2 H -0.980 -2.103 6.140 1.00 . A A . 2 TYR HD2 1 1 12 5812 1 1 2 TYR HE1 H -4.260 1.233 7.606 1.00 . A A . 2 TYR HE1 1 1 12 5813 1 1 2 TYR HE2 H -0.479 0.280 5.898 1.00 . A A . 2 TYR HE2 1 1 12 5814 1 1 2 TYR HH H -2.732 2.664 6.076 1.00 . A A . 2 TYR HH 1 1 12 5815 1 1 2 TYR N N -5.353 -4.420 6.857 1.00 . A A . 2 TYR N 1 1 12 5816 1 1 2 TYR O O -3.585 -5.747 5.216 1.00 . A A . 2 TYR O 1 1 12 5817 1 1 2 TYR OH O -2.058 2.249 6.619 1.00 . A A . 2 TYR OH 1 1 12 5818 1 1 3 TYR C C -1.245 -4.323 2.714 1.00 . A A . 3 TYR C 1 1 12 5819 1 1 3 TYR CA C -2.739 -4.602 2.840 1.00 . A A . 3 TYR CA 1 1 12 5820 1 1 3 TYR CB C -3.453 -4.186 1.553 1.00 . A A . 3 TYR CB 1 1 12 5821 1 1 3 TYR CD1 C -4.373 -6.375 0.727 1.00 . A A . 3 TYR CD1 1 1 12 5822 1 1 3 TYR CD2 C -5.918 -4.654 1.300 1.00 . A A . 3 TYR CD2 1 1 12 5823 1 1 3 TYR CE1 C -5.420 -7.210 0.389 1.00 . A A . 3 TYR CE1 1 1 12 5824 1 1 3 TYR CE2 C -6.972 -5.482 0.963 1.00 . A A . 3 TYR CE2 1 1 12 5825 1 1 3 TYR CG C -4.604 -5.088 1.187 1.00 . A A . 3 TYR CG 1 1 12 5826 1 1 3 TYR CZ C -6.718 -6.759 0.508 1.00 . A A . 3 TYR CZ 1 1 12 5827 1 1 3 TYR H H -3.449 -2.918 3.916 1.00 . A A . 3 TYR H 1 1 12 5828 1 1 3 TYR HA H -2.888 -5.664 2.993 1.00 . A A . 3 TYR HA 1 1 12 5829 1 1 3 TYR HB2 H -3.841 -3.187 1.675 1.00 . A A . 3 TYR HB2 1 1 12 5830 1 1 3 TYR HB3 H -2.749 -4.200 0.731 1.00 . A A . 3 TYR HB3 1 1 12 5831 1 1 3 TYR HD1 H -3.356 -6.723 0.638 1.00 . A A . 3 TYR HD1 1 1 12 5832 1 1 3 TYR HD2 H -6.113 -3.657 1.663 1.00 . A A . 3 TYR HD2 1 1 12 5833 1 1 3 TYR HE1 H -5.221 -8.209 0.033 1.00 . A A . 3 TYR HE1 1 1 12 5834 1 1 3 TYR HE2 H -7.988 -5.128 1.058 1.00 . A A . 3 TYR HE2 1 1 12 5835 1 1 3 TYR HH H -8.366 -7.662 0.911 1.00 . A A . 3 TYR HH 1 1 12 5836 1 1 3 TYR N N -3.325 -3.891 3.972 1.00 . A A . 3 TYR N 1 1 12 5837 1 1 3 TYR O O -0.710 -4.265 1.605 1.00 . A A . 3 TYR O 1 1 12 5838 1 1 3 TYR OH O -7.764 -7.585 0.168 1.00 . A A . 3 TYR OH 1 1 12 5839 1 1 4 GLY C C 1.222 -2.770 2.808 1.00 . A A . 4 GLY C 1 1 12 5840 1 1 4 GLY CA C 0.850 -3.837 3.828 1.00 . A A . 4 GLY CA 1 1 12 5841 1 1 4 GLY H H -1.055 -4.161 4.700 1.00 . A A . 4 GLY H 1 1 12 5842 1 1 4 GLY HA2 H 1.148 -3.500 4.807 1.00 . A A . 4 GLY HA2 1 1 12 5843 1 1 4 GLY HA3 H 1.386 -4.751 3.594 1.00 . A A . 4 GLY HA3 1 1 12 5844 1 1 4 GLY N N -0.575 -4.123 3.848 1.00 . A A . 4 GLY N 1 1 12 5845 1 1 4 GLY O O 2.382 -2.660 2.407 1.00 . A A . 4 GLY O 1 1 12 5846 1 1 5 ASN C C -0.532 0.216 1.678 1.00 . A A . 5 ASN C 1 1 12 5847 1 1 5 ASN CA C 0.435 -0.928 1.408 1.00 . A A . 5 ASN CA 1 1 12 5848 1 1 5 ASN CB C 0.242 -1.461 -0.014 1.00 . A A . 5 ASN CB 1 1 12 5849 1 1 5 ASN CG C 1.560 -1.730 -0.709 1.00 . A A . 5 ASN CG 1 1 12 5850 1 1 5 ASN H H -0.671 -2.132 2.738 1.00 . A A . 5 ASN H 1 1 12 5851 1 1 5 ASN HA H 1.449 -0.564 1.517 1.00 . A A . 5 ASN HA 1 1 12 5852 1 1 5 ASN HB2 H -0.318 -2.384 0.026 1.00 . A A . 5 ASN HB2 1 1 12 5853 1 1 5 ASN HB3 H -0.311 -0.737 -0.594 1.00 . A A . 5 ASN HB3 1 1 12 5854 1 1 5 ASN HD21 H 0.782 -3.306 -1.633 1.00 . A A . 5 ASN HD21 1 1 12 5855 1 1 5 ASN HD22 H 2.439 -2.970 -1.988 1.00 . A A . 5 ASN HD22 1 1 12 5856 1 1 5 ASN N N 0.229 -1.992 2.383 1.00 . A A . 5 ASN N 1 1 12 5857 1 1 5 ASN ND2 N 1.598 -2.774 -1.526 1.00 . A A . 5 ASN ND2 1 1 12 5858 1 1 5 ASN O O -1.197 0.709 0.766 1.00 . A A . 5 ASN O 1 1 12 5859 1 1 5 ASN OD1 O 2.535 -1.003 -0.517 1.00 . A A . 5 ASN OD1 1 1 12 5860 1 1 6 GLY C C -2.885 1.566 2.652 1.00 . A A . 6 GLY C 1 1 12 5861 1 1 6 GLY CA C -1.526 1.700 3.316 1.00 . A A . 6 GLY CA 1 1 12 5862 1 1 6 GLY H H -0.075 0.187 3.630 1.00 . A A . 6 GLY H 1 1 12 5863 1 1 6 GLY HA2 H -1.659 1.688 4.387 1.00 . A A . 6 GLY HA2 1 1 12 5864 1 1 6 GLY HA3 H -1.091 2.640 3.030 1.00 . A A . 6 GLY HA3 1 1 12 5865 1 1 6 GLY N N -0.621 0.626 2.943 1.00 . A A . 6 GLY N 1 1 12 5866 1 1 6 GLY O O -3.388 2.513 2.055 1.00 . A A . 6 GLY O 1 1 12 5867 1 1 7 VAL C C -5.565 -0.889 2.958 1.00 . A A . 7 VAL C 1 1 12 5868 1 1 7 VAL CA C -4.774 0.115 2.141 1.00 . A A . 7 VAL CA 1 1 12 5869 1 1 7 VAL CB C -4.646 -0.413 0.702 1.00 . A A . 7 VAL CB 1 1 12 5870 1 1 7 VAL CG1 C -5.971 -0.970 0.235 1.00 . A A . 7 VAL CG1 1 1 12 5871 1 1 7 VAL CG2 C -4.197 0.690 -0.228 1.00 . A A . 7 VAL CG2 1 1 12 5872 1 1 7 VAL H H -3.012 -0.345 3.224 1.00 . A A . 7 VAL H 1 1 12 5873 1 1 7 VAL HA H -5.327 1.042 2.104 1.00 . A A . 7 VAL HA 1 1 12 5874 1 1 7 VAL HB H -3.911 -1.204 0.685 1.00 . A A . 7 VAL HB 1 1 12 5875 1 1 7 VAL HG11 H -6.765 -0.383 0.674 1.00 . A A . 7 VAL HG11 1 1 12 5876 1 1 7 VAL HG12 H -6.062 -1.998 0.549 1.00 . A A . 7 VAL HG12 1 1 12 5877 1 1 7 VAL HG13 H -6.028 -0.909 -0.840 1.00 . A A . 7 VAL HG13 1 1 12 5878 1 1 7 VAL HG21 H -4.807 0.670 -1.121 1.00 . A A . 7 VAL HG21 1 1 12 5879 1 1 7 VAL HG22 H -3.162 0.544 -0.490 1.00 . A A . 7 VAL HG22 1 1 12 5880 1 1 7 VAL HG23 H -4.319 1.640 0.265 1.00 . A A . 7 VAL HG23 1 1 12 5881 1 1 7 VAL N N -3.470 0.377 2.745 1.00 . A A . 7 VAL N 1 1 12 5882 1 1 7 VAL O O -5.219 -2.069 3.016 1.00 . A A . 7 VAL O 1 1 12 5883 1 1 8 HIS C C -8.931 -1.203 3.874 1.00 . A A . 8 HIS C 1 1 12 5884 1 1 8 HIS CA C -7.497 -1.261 4.378 1.00 . A A . 8 HIS CA 1 1 12 5885 1 1 8 HIS CB C -7.462 -0.844 5.852 1.00 . A A . 8 HIS CB 1 1 12 5886 1 1 8 HIS CD2 C -5.756 1.078 5.688 1.00 . A A . 8 HIS CD2 1 1 12 5887 1 1 8 HIS CE1 C -6.904 2.624 6.738 1.00 . A A . 8 HIS CE1 1 1 12 5888 1 1 8 HIS CG C -6.928 0.530 6.065 1.00 . A A . 8 HIS CG 1 1 12 5889 1 1 8 HIS H H -6.862 0.539 3.474 1.00 . A A . 8 HIS H 1 1 12 5890 1 1 8 HIS HA H -7.131 -2.267 4.291 1.00 . A A . 8 HIS HA 1 1 12 5891 1 1 8 HIS HB2 H -8.463 -0.875 6.253 1.00 . A A . 8 HIS HB2 1 1 12 5892 1 1 8 HIS HB3 H -6.838 -1.533 6.399 1.00 . A A . 8 HIS HB3 1 1 12 5893 1 1 8 HIS HD1 H -8.515 1.426 7.121 1.00 . A A . 8 HIS HD1 1 1 12 5894 1 1 8 HIS HD2 H -4.953 0.567 5.164 1.00 . A A . 8 HIS HD2 1 1 12 5895 1 1 8 HIS HE1 H -7.198 3.562 7.182 1.00 . A A . 8 HIS HE1 1 1 12 5896 1 1 8 HIS HE2 H -5.017 3.014 6.039 1.00 . A A . 8 HIS HE2 1 1 12 5897 1 1 8 HIS N N -6.637 -0.411 3.572 1.00 . A A . 8 HIS N 1 1 12 5898 1 1 8 HIS ND1 N -7.624 1.520 6.722 1.00 . A A . 8 HIS ND1 1 1 12 5899 1 1 8 HIS NE2 N -5.763 2.384 6.117 1.00 . A A . 8 HIS NE2 1 1 12 5900 1 1 8 HIS O O -9.498 -0.123 3.718 1.00 . A A . 8 HIS O 1 1 12 5901 1 1 9 CYS C C -11.792 -2.854 4.327 1.00 . A A . 9 CYS C 1 1 12 5902 1 1 9 CYS CA C -10.898 -2.415 3.178 1.00 . A A . 9 CYS CA 1 1 12 5903 1 1 9 CYS CB C -11.046 -3.346 1.977 1.00 . A A . 9 CYS CB 1 1 12 5904 1 1 9 CYS H H -9.033 -3.198 3.787 1.00 . A A . 9 CYS H 1 1 12 5905 1 1 9 CYS HA H -11.176 -1.418 2.887 1.00 . A A . 9 CYS HA 1 1 12 5906 1 1 9 CYS HB2 H -10.078 -3.492 1.526 1.00 . A A . 9 CYS HB2 1 1 12 5907 1 1 9 CYS HB3 H -11.435 -4.296 2.309 1.00 . A A . 9 CYS HB3 1 1 12 5908 1 1 9 CYS N N -9.524 -2.363 3.635 1.00 . A A . 9 CYS N 1 1 12 5909 1 1 9 CYS O O -11.914 -4.044 4.621 1.00 . A A . 9 CYS O 1 1 12 5910 1 1 9 CYS SG S -12.163 -2.703 0.688 1.00 . A A . 9 CYS SG 1 1 12 5911 1 1 10 THR C C -14.711 -2.299 5.730 1.00 . A A . 10 THR C 1 1 12 5912 1 1 10 THR CA C -13.252 -2.139 6.138 1.00 . A A . 10 THR CA 1 1 12 5913 1 1 10 THR CB C -13.127 -0.995 7.146 1.00 . A A . 10 THR CB 1 1 12 5914 1 1 10 THR CG2 C -11.695 -0.632 7.477 1.00 . A A . 10 THR CG2 1 1 12 5915 1 1 10 THR H H -12.238 -0.948 4.714 1.00 . A A . 10 THR H 1 1 12 5916 1 1 10 THR HA H -12.919 -3.052 6.601 1.00 . A A . 10 THR HA 1 1 12 5917 1 1 10 THR HB H -13.618 -1.280 8.065 1.00 . A A . 10 THR HB 1 1 12 5918 1 1 10 THR HG1 H -13.574 0.258 5.707 1.00 . A A . 10 THR HG1 1 1 12 5919 1 1 10 THR HG21 H -11.283 -0.027 6.681 1.00 . A A . 10 THR HG21 1 1 12 5920 1 1 10 THR HG22 H -11.110 -1.533 7.583 1.00 . A A . 10 THR HG22 1 1 12 5921 1 1 10 THR HG23 H -11.669 -0.075 8.402 1.00 . A A . 10 THR HG23 1 1 12 5922 1 1 10 THR N N -12.394 -1.876 4.990 1.00 . A A . 10 THR N 1 1 12 5923 1 1 10 THR O O -15.034 -2.401 4.546 1.00 . A A . 10 THR O 1 1 12 5924 1 1 10 THR OG1 O -13.755 0.173 6.648 1.00 . A A . 10 THR OG1 1 1 12 5925 1 1 11 LYS C C -17.577 -1.359 5.642 1.00 . A A . 11 LYS C 1 1 12 5926 1 1 11 LYS CA C -17.017 -2.495 6.500 1.00 . A A . 11 LYS CA 1 1 12 5927 1 1 11 LYS CB C -17.759 -2.581 7.840 1.00 . A A . 11 LYS CB 1 1 12 5928 1 1 11 LYS CD C -16.806 -0.483 8.862 1.00 . A A . 11 LYS CD 1 1 12 5929 1 1 11 LYS CE C -17.097 0.975 9.183 1.00 . A A . 11 LYS CE 1 1 12 5930 1 1 11 LYS CG C -18.073 -1.232 8.476 1.00 . A A . 11 LYS CG 1 1 12 5931 1 1 11 LYS H H -15.260 -2.257 7.651 1.00 . A A . 11 LYS H 1 1 12 5932 1 1 11 LYS HA H -17.156 -3.423 5.969 1.00 . A A . 11 LYS HA 1 1 12 5933 1 1 11 LYS HB2 H -18.691 -3.104 7.687 1.00 . A A . 11 LYS HB2 1 1 12 5934 1 1 11 LYS HB3 H -17.151 -3.145 8.533 1.00 . A A . 11 LYS HB3 1 1 12 5935 1 1 11 LYS HD2 H -16.373 -0.953 9.733 1.00 . A A . 11 LYS HD2 1 1 12 5936 1 1 11 LYS HD3 H -16.108 -0.528 8.041 1.00 . A A . 11 LYS HD3 1 1 12 5937 1 1 11 LYS HE2 H -16.161 1.483 9.363 1.00 . A A . 11 LYS HE2 1 1 12 5938 1 1 11 LYS HE3 H -17.592 1.424 8.335 1.00 . A A . 11 LYS HE3 1 1 12 5939 1 1 11 LYS HG2 H -18.631 -0.635 7.772 1.00 . A A . 11 LYS HG2 1 1 12 5940 1 1 11 LYS HG3 H -18.668 -1.394 9.363 1.00 . A A . 11 LYS HG3 1 1 12 5941 1 1 11 LYS HZ1 H -17.390 1.382 11.211 1.00 . A A . 11 LYS HZ1 1 1 12 5942 1 1 11 LYS HZ2 H -18.452 0.224 10.586 1.00 . A A . 11 LYS HZ2 1 1 12 5943 1 1 11 LYS HZ3 H -18.678 1.860 10.224 1.00 . A A . 11 LYS HZ3 1 1 12 5944 1 1 11 LYS N N -15.587 -2.334 6.731 1.00 . A A . 11 LYS N 1 1 12 5945 1 1 11 LYS NZ N -17.965 1.119 10.385 1.00 . A A . 11 LYS NZ 1 1 12 5946 1 1 11 LYS O O -18.661 -1.481 5.072 1.00 . A A . 11 LYS O 1 1 12 5947 1 1 12 SER C C -16.684 0.793 3.335 1.00 . A A . 12 SER C 1 1 12 5948 1 1 12 SER CA C -17.257 0.880 4.748 1.00 . A A . 12 SER CA 1 1 12 5949 1 1 12 SER CB C -16.818 2.184 5.415 1.00 . A A . 12 SER CB 1 1 12 5950 1 1 12 SER H H -15.974 -0.222 6.017 1.00 . A A . 12 SER H 1 1 12 5951 1 1 12 SER HA H -18.334 0.860 4.688 1.00 . A A . 12 SER HA 1 1 12 5952 1 1 12 SER HB2 H -16.680 2.944 4.660 1.00 . A A . 12 SER HB2 1 1 12 5953 1 1 12 SER HB3 H -17.579 2.504 6.112 1.00 . A A . 12 SER HB3 1 1 12 5954 1 1 12 SER HG H -14.915 1.726 5.507 1.00 . A A . 12 SER HG 1 1 12 5955 1 1 12 SER N N -16.832 -0.261 5.546 1.00 . A A . 12 SER N 1 1 12 5956 1 1 12 SER O O -17.214 1.393 2.400 1.00 . A A . 12 SER O 1 1 12 5957 1 1 12 SER OG O -15.599 2.013 6.117 1.00 . A A . 12 SER OG 1 1 12 5958 1 1 13 GLY C C -13.456 -0.061 1.990 1.00 . A A . 13 GLY C 1 1 12 5959 1 1 13 GLY CA C -14.966 -0.128 1.894 1.00 . A A . 13 GLY CA 1 1 12 5960 1 1 13 GLY H H -15.225 -0.421 3.971 1.00 . A A . 13 GLY H 1 1 12 5961 1 1 13 GLY HA2 H -15.250 -1.085 1.483 1.00 . A A . 13 GLY HA2 1 1 12 5962 1 1 13 GLY HA3 H -15.309 0.654 1.233 1.00 . A A . 13 GLY HA3 1 1 12 5963 1 1 13 GLY N N -15.599 0.034 3.189 1.00 . A A . 13 GLY N 1 1 12 5964 1 1 13 GLY O O -12.893 -0.226 3.070 1.00 . A A . 13 GLY O 1 1 12 5965 1 1 14 CYS C C -10.916 1.728 1.075 1.00 . A A . 14 CYS C 1 1 12 5966 1 1 14 CYS CA C -11.345 0.291 0.839 1.00 . A A . 14 CYS CA 1 1 12 5967 1 1 14 CYS CB C -10.780 -0.218 -0.484 1.00 . A A . 14 CYS CB 1 1 12 5968 1 1 14 CYS H H -13.300 0.319 0.032 1.00 . A A . 14 CYS H 1 1 12 5969 1 1 14 CYS HA H -10.948 -0.302 1.636 1.00 . A A . 14 CYS HA 1 1 12 5970 1 1 14 CYS HB2 H -11.301 0.260 -1.294 1.00 . A A . 14 CYS HB2 1 1 12 5971 1 1 14 CYS HB3 H -9.736 0.046 -0.529 1.00 . A A . 14 CYS HB3 1 1 12 5972 1 1 14 CYS N N -12.797 0.189 0.863 1.00 . A A . 14 CYS N 1 1 12 5973 1 1 14 CYS O O -11.472 2.661 0.494 1.00 . A A . 14 CYS O 1 1 12 5974 1 1 14 CYS SG S -10.896 -2.026 -0.748 1.00 . A A . 14 CYS SG 1 1 12 5975 1 1 15 SER C C -7.889 3.212 2.259 1.00 . A A . 15 SER C 1 1 12 5976 1 1 15 SER CA C -9.410 3.215 2.262 1.00 . A A . 15 SER CA 1 1 12 5977 1 1 15 SER CB C -9.935 3.665 3.625 1.00 . A A . 15 SER CB 1 1 12 5978 1 1 15 SER H H -9.524 1.103 2.360 1.00 . A A . 15 SER H 1 1 12 5979 1 1 15 SER HA H -9.759 3.902 1.506 1.00 . A A . 15 SER HA 1 1 12 5980 1 1 15 SER HB2 H -9.964 2.820 4.296 1.00 . A A . 15 SER HB2 1 1 12 5981 1 1 15 SER HB3 H -9.278 4.421 4.029 1.00 . A A . 15 SER HB3 1 1 12 5982 1 1 15 SER HG H -11.849 3.679 4.041 1.00 . A A . 15 SER HG 1 1 12 5983 1 1 15 SER N N -9.921 1.893 1.933 1.00 . A A . 15 SER N 1 1 12 5984 1 1 15 SER O O -7.267 2.157 2.140 1.00 . A A . 15 SER O 1 1 12 5985 1 1 15 SER OG O -11.241 4.204 3.516 1.00 . A A . 15 SER OG 1 1 12 5986 1 1 16 VAL C C -5.370 5.562 3.373 1.00 . A A . 16 VAL C 1 1 12 5987 1 1 16 VAL CA C -5.848 4.519 2.368 1.00 . A A . 16 VAL CA 1 1 12 5988 1 1 16 VAL CB C -5.312 4.906 0.979 1.00 . A A . 16 VAL CB 1 1 12 5989 1 1 16 VAL CG1 C -3.796 4.963 0.984 1.00 . A A . 16 VAL CG1 1 1 12 5990 1 1 16 VAL CG2 C -5.769 3.930 -0.073 1.00 . A A . 16 VAL CG2 1 1 12 5991 1 1 16 VAL H H -7.847 5.204 2.446 1.00 . A A . 16 VAL H 1 1 12 5992 1 1 16 VAL HA H -5.434 3.560 2.634 1.00 . A A . 16 VAL HA 1 1 12 5993 1 1 16 VAL HB H -5.697 5.883 0.728 1.00 . A A . 16 VAL HB 1 1 12 5994 1 1 16 VAL HG11 H -3.475 5.965 0.770 1.00 . A A . 16 VAL HG11 1 1 12 5995 1 1 16 VAL HG12 H -3.410 4.291 0.229 1.00 . A A . 16 VAL HG12 1 1 12 5996 1 1 16 VAL HG13 H -3.429 4.659 1.951 1.00 . A A . 16 VAL HG13 1 1 12 5997 1 1 16 VAL HG21 H -6.701 4.265 -0.496 1.00 . A A . 16 VAL HG21 1 1 12 5998 1 1 16 VAL HG22 H -5.894 2.959 0.383 1.00 . A A . 16 VAL HG22 1 1 12 5999 1 1 16 VAL HG23 H -5.015 3.877 -0.850 1.00 . A A . 16 VAL HG23 1 1 12 6000 1 1 16 VAL N N -7.298 4.396 2.368 1.00 . A A . 16 VAL N 1 1 12 6001 1 1 16 VAL O O -5.755 6.730 3.300 1.00 . A A . 16 VAL O 1 1 12 6002 1 1 17 ASN C C -3.005 7.043 4.585 1.00 . A A . 17 ASN C 1 1 12 6003 1 1 17 ASN CA C -3.949 6.061 5.278 1.00 . A A . 17 ASN CA 1 1 12 6004 1 1 17 ASN CB C -3.203 5.287 6.366 1.00 . A A . 17 ASN CB 1 1 12 6005 1 1 17 ASN CG C -2.869 6.151 7.568 1.00 . A A . 17 ASN CG 1 1 12 6006 1 1 17 ASN H H -4.215 4.208 4.287 1.00 . A A . 17 ASN H 1 1 12 6007 1 1 17 ASN HA H -4.760 6.609 5.724 1.00 . A A . 17 ASN HA 1 1 12 6008 1 1 17 ASN HB2 H -3.818 4.463 6.699 1.00 . A A . 17 ASN HB2 1 1 12 6009 1 1 17 ASN HB3 H -2.284 4.900 5.954 1.00 . A A . 17 ASN HB3 1 1 12 6010 1 1 17 ASN HD21 H -1.466 7.103 6.529 1.00 . A A . 17 ASN HD21 1 1 12 6011 1 1 17 ASN HD22 H -1.667 7.619 8.165 1.00 . A A . 17 ASN HD22 1 1 12 6012 1 1 17 ASN N N -4.505 5.145 4.290 1.00 . A A . 17 ASN N 1 1 12 6013 1 1 17 ASN ND2 N -1.903 7.048 7.404 1.00 . A A . 17 ASN ND2 1 1 12 6014 1 1 17 ASN O O -2.700 8.116 5.106 1.00 . A A . 17 ASN O 1 1 12 6015 1 1 17 ASN OD1 O -3.472 6.014 8.633 1.00 . A A . 17 ASN OD1 1 1 12 6016 1 1 18 TRP C C -0.295 7.596 3.212 1.00 . A A . 18 TRP C 1 1 12 6017 1 1 18 TRP CA C -1.661 7.451 2.575 1.00 . A A . 18 TRP CA 1 1 12 6018 1 1 18 TRP CB C -2.303 8.799 2.257 1.00 . A A . 18 TRP CB 1 1 12 6019 1 1 18 TRP CD1 C -4.736 8.787 1.459 1.00 . A A . 18 TRP CD1 1 1 12 6020 1 1 18 TRP CD2 C -3.246 8.213 -0.095 1.00 . A A . 18 TRP CD2 1 1 12 6021 1 1 18 TRP CE2 C -4.524 8.151 -0.665 1.00 . A A . 18 TRP CE2 1 1 12 6022 1 1 18 TRP CE3 C -2.143 7.889 -0.880 1.00 . A A . 18 TRP CE3 1 1 12 6023 1 1 18 TRP CG C -3.400 8.635 1.256 1.00 . A A . 18 TRP CG 1 1 12 6024 1 1 18 TRP CH2 C -3.634 7.462 -2.731 1.00 . A A . 18 TRP CH2 1 1 12 6025 1 1 18 TRP CZ2 C -4.732 7.776 -1.984 1.00 . A A . 18 TRP CZ2 1 1 12 6026 1 1 18 TRP CZ3 C -2.346 7.513 -2.189 1.00 . A A . 18 TRP CZ3 1 1 12 6027 1 1 18 TRP H H -2.851 5.788 3.052 1.00 . A A . 18 TRP H 1 1 12 6028 1 1 18 TRP HA H -1.524 6.915 1.644 1.00 . A A . 18 TRP HA 1 1 12 6029 1 1 18 TRP HB2 H -2.720 9.225 3.158 1.00 . A A . 18 TRP HB2 1 1 12 6030 1 1 18 TRP HB3 H -1.561 9.467 1.845 1.00 . A A . 18 TRP HB3 1 1 12 6031 1 1 18 TRP HD1 H -5.177 9.084 2.394 1.00 . A A . 18 TRP HD1 1 1 12 6032 1 1 18 TRP HE1 H -6.392 8.554 0.193 1.00 . A A . 18 TRP HE1 1 1 12 6033 1 1 18 TRP HE3 H -1.147 7.913 -0.469 1.00 . A A . 18 TRP HE3 1 1 12 6034 1 1 18 TRP HH2 H -3.752 7.153 -3.756 1.00 . A A . 18 TRP HH2 1 1 12 6035 1 1 18 TRP HZ2 H -5.720 7.731 -2.418 1.00 . A A . 18 TRP HZ2 1 1 12 6036 1 1 18 TRP HZ3 H -1.503 7.255 -2.813 1.00 . A A . 18 TRP HZ3 1 1 12 6037 1 1 18 TRP N N -2.557 6.649 3.395 1.00 . A A . 18 TRP N 1 1 12 6038 1 1 18 TRP NE1 N -5.420 8.506 0.305 1.00 . A A . 18 TRP NE1 1 1 12 6039 1 1 18 TRP O O 0.692 7.122 2.661 1.00 . A A . 18 TRP O 1 1 12 6040 1 1 19 GLY C C 1.693 6.981 5.245 1.00 . A A . 19 GLY C 1 1 12 6041 1 1 19 GLY CA C 1.063 8.342 5.029 1.00 . A A . 19 GLY CA 1 1 12 6042 1 1 19 GLY H H -1.035 8.563 4.805 1.00 . A A . 19 GLY H 1 1 12 6043 1 1 19 GLY HA2 H 1.713 8.934 4.393 1.00 . A A . 19 GLY HA2 1 1 12 6044 1 1 19 GLY HA3 H 0.941 8.836 5.980 1.00 . A A . 19 GLY HA3 1 1 12 6045 1 1 19 GLY N N -0.223 8.215 4.379 1.00 . A A . 19 GLY N 1 1 12 6046 1 1 19 GLY O O 2.914 6.832 5.195 1.00 . A A . 19 GLY O 1 1 12 6047 1 1 20 GLU C C 1.692 4.012 4.296 1.00 . A A . 20 GLU C 1 1 12 6048 1 1 20 GLU CA C 1.290 4.606 5.643 1.00 . A A . 20 GLU CA 1 1 12 6049 1 1 20 GLU CB C 0.181 3.766 6.285 1.00 . A A . 20 GLU CB 1 1 12 6050 1 1 20 GLU CD C 1.177 1.705 7.370 1.00 . A A . 20 GLU CD 1 1 12 6051 1 1 20 GLU CG C 0.601 3.093 7.584 1.00 . A A . 20 GLU CG 1 1 12 6052 1 1 20 GLU H H -0.121 6.165 5.457 1.00 . A A . 20 GLU H 1 1 12 6053 1 1 20 GLU HA H 2.152 4.621 6.295 1.00 . A A . 20 GLU HA 1 1 12 6054 1 1 20 GLU HB2 H -0.663 4.408 6.496 1.00 . A A . 20 GLU HB2 1 1 12 6055 1 1 20 GLU HB3 H -0.128 2.998 5.590 1.00 . A A . 20 GLU HB3 1 1 12 6056 1 1 20 GLU HG2 H 1.349 3.705 8.062 1.00 . A A . 20 GLU HG2 1 1 12 6057 1 1 20 GLU HG3 H -0.263 3.014 8.225 1.00 . A A . 20 GLU HG3 1 1 12 6058 1 1 20 GLU N N 0.840 5.978 5.454 1.00 . A A . 20 GLU N 1 1 12 6059 1 1 20 GLU O O 2.729 3.359 4.172 1.00 . A A . 20 GLU O 1 1 12 6060 1 1 20 GLU OE1 O 1.463 1.351 6.207 1.00 . A A . 20 GLU OE1 1 1 12 6061 1 1 20 GLU OE2 O 1.340 0.972 8.368 1.00 . A A . 20 GLU OE2 1 1 12 6062 1 1 21 ALA C C 2.307 4.531 1.341 1.00 . A A . 21 ALA C 1 1 12 6063 1 1 21 ALA CA C 1.124 3.794 1.934 1.00 . A A . 21 ALA CA 1 1 12 6064 1 1 21 ALA CB C -0.092 4.032 1.067 1.00 . A A . 21 ALA CB 1 1 12 6065 1 1 21 ALA H H 0.064 4.811 3.450 1.00 . A A . 21 ALA H 1 1 12 6066 1 1 21 ALA HA H 1.332 2.734 1.968 1.00 . A A . 21 ALA HA 1 1 12 6067 1 1 21 ALA HB1 H -0.126 5.077 0.795 1.00 . A A . 21 ALA HB1 1 1 12 6068 1 1 21 ALA HB2 H -0.984 3.774 1.613 1.00 . A A . 21 ALA HB2 1 1 12 6069 1 1 21 ALA HB3 H -0.023 3.429 0.175 1.00 . A A . 21 ALA HB3 1 1 12 6070 1 1 21 ALA N N 0.867 4.272 3.286 1.00 . A A . 21 ALA N 1 1 12 6071 1 1 21 ALA O O 3.149 3.948 0.660 1.00 . A A . 21 ALA O 1 1 12 6072 1 1 22 PHE C C 4.766 6.117 1.641 1.00 . A A . 22 PHE C 1 1 12 6073 1 1 22 PHE CA C 3.443 6.668 1.154 1.00 . A A . 22 PHE CA 1 1 12 6074 1 1 22 PHE CB C 3.255 8.084 1.681 1.00 . A A . 22 PHE CB 1 1 12 6075 1 1 22 PHE CD1 C 4.678 9.378 0.083 1.00 . A A . 22 PHE CD1 1 1 12 6076 1 1 22 PHE CD2 C 5.241 9.426 2.391 1.00 . A A . 22 PHE CD2 1 1 12 6077 1 1 22 PHE CE1 C 5.746 10.201 -0.201 1.00 . A A . 22 PHE CE1 1 1 12 6078 1 1 22 PHE CE2 C 6.312 10.251 2.115 1.00 . A A . 22 PHE CE2 1 1 12 6079 1 1 22 PHE CG C 4.414 8.984 1.380 1.00 . A A . 22 PHE CG 1 1 12 6080 1 1 22 PHE CZ C 6.563 10.640 0.817 1.00 . A A . 22 PHE CZ 1 1 12 6081 1 1 22 PHE H H 1.670 6.214 2.194 1.00 . A A . 22 PHE H 1 1 12 6082 1 1 22 PHE HA H 3.427 6.676 0.072 1.00 . A A . 22 PHE HA 1 1 12 6083 1 1 22 PHE HB2 H 2.370 8.515 1.236 1.00 . A A . 22 PHE HB2 1 1 12 6084 1 1 22 PHE HB3 H 3.133 8.042 2.757 1.00 . A A . 22 PHE HB3 1 1 12 6085 1 1 22 PHE HD1 H 4.047 9.023 -0.716 1.00 . A A . 22 PHE HD1 1 1 12 6086 1 1 22 PHE HD2 H 5.047 9.113 3.406 1.00 . A A . 22 PHE HD2 1 1 12 6087 1 1 22 PHE HE1 H 5.939 10.506 -1.218 1.00 . A A . 22 PHE HE1 1 1 12 6088 1 1 22 PHE HE2 H 6.954 10.590 2.915 1.00 . A A . 22 PHE HE2 1 1 12 6089 1 1 22 PHE HZ H 7.401 11.285 0.598 1.00 . A A . 22 PHE HZ 1 1 12 6090 1 1 22 PHE N N 2.367 5.821 1.632 1.00 . A A . 22 PHE N 1 1 12 6091 1 1 22 PHE O O 5.771 6.152 0.936 1.00 . A A . 22 PHE O 1 1 12 6092 1 1 23 SER C C 6.239 3.706 2.726 1.00 . A A . 23 SER C 1 1 12 6093 1 1 23 SER CA C 5.928 5.008 3.451 1.00 . A A . 23 SER CA 1 1 12 6094 1 1 23 SER CB C 5.729 4.757 4.948 1.00 . A A . 23 SER CB 1 1 12 6095 1 1 23 SER H H 3.894 5.613 3.359 1.00 . A A . 23 SER H 1 1 12 6096 1 1 23 SER HA H 6.756 5.692 3.306 1.00 . A A . 23 SER HA 1 1 12 6097 1 1 23 SER HB2 H 6.692 4.647 5.423 1.00 . A A . 23 SER HB2 1 1 12 6098 1 1 23 SER HB3 H 5.208 5.595 5.386 1.00 . A A . 23 SER HB3 1 1 12 6099 1 1 23 SER HG H 4.337 3.739 5.878 1.00 . A A . 23 SER HG 1 1 12 6100 1 1 23 SER N N 4.741 5.604 2.858 1.00 . A A . 23 SER N 1 1 12 6101 1 1 23 SER O O 7.393 3.300 2.614 1.00 . A A . 23 SER O 1 1 12 6102 1 1 23 SER OG O 4.973 3.580 5.176 1.00 . A A . 23 SER OG 1 1 12 6103 1 1 24 ALA C C 5.887 2.118 0.084 1.00 . A A . 24 ALA C 1 1 12 6104 1 1 24 ALA CA C 5.324 1.828 1.467 1.00 . A A . 24 ALA CA 1 1 12 6105 1 1 24 ALA CB C 3.977 1.136 1.348 1.00 . A A . 24 ALA CB 1 1 12 6106 1 1 24 ALA H H 4.293 3.460 2.325 1.00 . A A . 24 ALA H 1 1 12 6107 1 1 24 ALA HA H 6.000 1.180 2.004 1.00 . A A . 24 ALA HA 1 1 12 6108 1 1 24 ALA HB1 H 3.410 1.291 2.253 1.00 . A A . 24 ALA HB1 1 1 12 6109 1 1 24 ALA HB2 H 4.128 0.078 1.193 1.00 . A A . 24 ALA HB2 1 1 12 6110 1 1 24 ALA HB3 H 3.437 1.551 0.508 1.00 . A A . 24 ALA HB3 1 1 12 6111 1 1 24 ALA N N 5.186 3.071 2.212 1.00 . A A . 24 ALA N 1 1 12 6112 1 1 24 ALA O O 6.818 1.456 -0.375 1.00 . A A . 24 ALA O 1 1 12 6113 1 1 25 GLY C C 7.235 3.922 -1.872 1.00 . A A . 25 GLY C 1 1 12 6114 1 1 25 GLY CA C 5.776 3.512 -1.886 1.00 . A A . 25 GLY CA 1 1 12 6115 1 1 25 GLY H H 4.582 3.616 -0.142 1.00 . A A . 25 GLY H 1 1 12 6116 1 1 25 GLY HA2 H 5.651 2.678 -2.562 1.00 . A A . 25 GLY HA2 1 1 12 6117 1 1 25 GLY HA3 H 5.182 4.344 -2.238 1.00 . A A . 25 GLY HA3 1 1 12 6118 1 1 25 GLY N N 5.317 3.126 -0.567 1.00 . A A . 25 GLY N 1 1 12 6119 1 1 25 GLY O O 8.017 3.484 -2.713 1.00 . A A . 25 GLY O 1 1 12 6120 1 1 26 VAL C C 9.939 4.051 -0.588 1.00 . A A . 26 VAL C 1 1 12 6121 1 1 26 VAL CA C 8.984 5.223 -0.778 1.00 . A A . 26 VAL CA 1 1 12 6122 1 1 26 VAL CB C 9.139 6.173 0.423 1.00 . A A . 26 VAL CB 1 1 12 6123 1 1 26 VAL CG1 C 10.583 6.609 0.595 1.00 . A A . 26 VAL CG1 1 1 12 6124 1 1 26 VAL CG2 C 8.243 7.376 0.261 1.00 . A A . 26 VAL CG2 1 1 12 6125 1 1 26 VAL H H 6.927 5.083 -0.261 1.00 . A A . 26 VAL H 1 1 12 6126 1 1 26 VAL HA H 9.253 5.760 -1.680 1.00 . A A . 26 VAL HA 1 1 12 6127 1 1 26 VAL HB H 8.834 5.646 1.319 1.00 . A A . 26 VAL HB 1 1 12 6128 1 1 26 VAL HG11 H 10.978 6.920 -0.361 1.00 . A A . 26 VAL HG11 1 1 12 6129 1 1 26 VAL HG12 H 11.165 5.784 0.977 1.00 . A A . 26 VAL HG12 1 1 12 6130 1 1 26 VAL HG13 H 10.627 7.435 1.289 1.00 . A A . 26 VAL HG13 1 1 12 6131 1 1 26 VAL HG21 H 7.252 7.042 -0.004 1.00 . A A . 26 VAL HG21 1 1 12 6132 1 1 26 VAL HG22 H 8.635 8.014 -0.519 1.00 . A A . 26 VAL HG22 1 1 12 6133 1 1 26 VAL HG23 H 8.208 7.918 1.194 1.00 . A A . 26 VAL HG23 1 1 12 6134 1 1 26 VAL N N 7.603 4.762 -0.906 1.00 . A A . 26 VAL N 1 1 12 6135 1 1 26 VAL O O 11.007 4.010 -1.190 1.00 . A A . 26 VAL O 1 1 12 6136 1 1 27 HIS C C 10.692 1.204 -0.804 1.00 . A A . 27 HIS C 1 1 12 6137 1 1 27 HIS CA C 10.400 1.933 0.500 1.00 . A A . 27 HIS CA 1 1 12 6138 1 1 27 HIS CB C 9.729 0.992 1.500 1.00 . A A . 27 HIS CB 1 1 12 6139 1 1 27 HIS CD2 C 9.393 0.980 4.069 1.00 . A A . 27 HIS CD2 1 1 12 6140 1 1 27 HIS CE1 C 9.667 3.125 4.418 1.00 . A A . 27 HIS CE1 1 1 12 6141 1 1 27 HIS CG C 9.639 1.565 2.873 1.00 . A A . 27 HIS CG 1 1 12 6142 1 1 27 HIS H H 8.689 3.170 0.703 1.00 . A A . 27 HIS H 1 1 12 6143 1 1 27 HIS HA H 11.334 2.289 0.920 1.00 . A A . 27 HIS HA 1 1 12 6144 1 1 27 HIS HB2 H 8.725 0.778 1.169 1.00 . A A . 27 HIS HB2 1 1 12 6145 1 1 27 HIS HB3 H 10.291 0.074 1.560 1.00 . A A . 27 HIS HB3 1 1 12 6146 1 1 27 HIS HD1 H 10.000 3.595 2.461 1.00 . A A . 27 HIS HD1 1 1 12 6147 1 1 27 HIS HD2 H 9.212 -0.071 4.245 1.00 . A A . 27 HIS HD2 1 1 12 6148 1 1 27 HIS HE1 H 9.735 4.082 4.897 1.00 . A A . 27 HIS HE1 1 1 12 6149 1 1 27 HIS HE2 H 9.221 1.860 5.967 1.00 . A A . 27 HIS HE2 1 1 12 6150 1 1 27 HIS N N 9.554 3.094 0.247 1.00 . A A . 27 HIS N 1 1 12 6151 1 1 27 HIS ND1 N 9.806 2.906 3.128 1.00 . A A . 27 HIS ND1 1 1 12 6152 1 1 27 HIS NE2 N 9.416 1.974 5.014 1.00 . A A . 27 HIS NE2 1 1 12 6153 1 1 27 HIS O O 11.770 0.651 -0.993 1.00 . A A . 27 HIS O 1 1 12 6154 1 1 28 ARG C C 10.595 1.494 -3.987 1.00 . A A . 28 ARG C 1 1 12 6155 1 1 28 ARG CA C 9.881 0.568 -2.997 1.00 . A A . 28 ARG CA 1 1 12 6156 1 1 28 ARG CB C 8.516 0.155 -3.554 1.00 . A A . 28 ARG CB 1 1 12 6157 1 1 28 ARG CD C 6.348 -1.062 -3.184 1.00 . A A . 28 ARG CD 1 1 12 6158 1 1 28 ARG CG C 7.718 -0.730 -2.611 1.00 . A A . 28 ARG CG 1 1 12 6159 1 1 28 ARG CZ C 5.316 -2.878 -4.491 1.00 . A A . 28 ARG CZ 1 1 12 6160 1 1 28 ARG H H 8.882 1.671 -1.495 1.00 . A A . 28 ARG H 1 1 12 6161 1 1 28 ARG HA H 10.485 -0.318 -2.854 1.00 . A A . 28 ARG HA 1 1 12 6162 1 1 28 ARG HB2 H 7.937 1.045 -3.755 1.00 . A A . 28 ARG HB2 1 1 12 6163 1 1 28 ARG HB3 H 8.665 -0.383 -4.479 1.00 . A A . 28 ARG HB3 1 1 12 6164 1 1 28 ARG HD2 H 5.676 -1.285 -2.368 1.00 . A A . 28 ARG HD2 1 1 12 6165 1 1 28 ARG HD3 H 5.982 -0.201 -3.724 1.00 . A A . 28 ARG HD3 1 1 12 6166 1 1 28 ARG HE H 7.273 -2.492 -4.413 1.00 . A A . 28 ARG HE 1 1 12 6167 1 1 28 ARG HG2 H 8.260 -1.649 -2.447 1.00 . A A . 28 ARG HG2 1 1 12 6168 1 1 28 ARG HG3 H 7.589 -0.213 -1.671 1.00 . A A . 28 ARG HG3 1 1 12 6169 1 1 28 ARG HH11 H 4.002 -1.747 -3.453 1.00 . A A . 28 ARG HH11 1 1 12 6170 1 1 28 ARG HH12 H 3.304 -3.031 -4.380 1.00 . A A . 28 ARG HH12 1 1 12 6171 1 1 28 ARG HH21 H 6.355 -4.183 -5.634 1.00 . A A . 28 ARG HH21 1 1 12 6172 1 1 28 ARG HH22 H 4.639 -4.414 -5.618 1.00 . A A . 28 ARG HH22 1 1 12 6173 1 1 28 ARG N N 9.722 1.210 -1.701 1.00 . A A . 28 ARG N 1 1 12 6174 1 1 28 ARG NE N 6.394 -2.208 -4.089 1.00 . A A . 28 ARG NE 1 1 12 6175 1 1 28 ARG NH1 N 4.109 -2.522 -4.074 1.00 . A A . 28 ARG NH1 1 1 12 6176 1 1 28 ARG NH2 N 5.448 -3.909 -5.316 1.00 . A A . 28 ARG NH2 1 1 12 6177 1 1 28 ARG O O 11.462 1.066 -4.748 1.00 . A A . 28 ARG O 1 1 12 6178 1 1 29 LEU C C 12.136 4.240 -4.492 1.00 . A A . 29 LEU C 1 1 12 6179 1 1 29 LEU CA C 10.734 3.779 -4.884 1.00 . A A . 29 LEU CA 1 1 12 6180 1 1 29 LEU CB C 9.787 4.983 -4.929 1.00 . A A . 29 LEU CB 1 1 12 6181 1 1 29 LEU CD1 C 10.800 5.840 -7.061 1.00 . A A . 29 LEU CD1 1 1 12 6182 1 1 29 LEU CD2 C 9.249 7.294 -5.743 1.00 . A A . 29 LEU CD2 1 1 12 6183 1 1 29 LEU CG C 10.320 6.215 -5.667 1.00 . A A . 29 LEU CG 1 1 12 6184 1 1 29 LEU H H 9.485 3.031 -3.355 1.00 . A A . 29 LEU H 1 1 12 6185 1 1 29 LEU HA H 10.779 3.346 -5.867 1.00 . A A . 29 LEU HA 1 1 12 6186 1 1 29 LEU HB2 H 8.872 4.671 -5.410 1.00 . A A . 29 LEU HB2 1 1 12 6187 1 1 29 LEU HB3 H 9.558 5.270 -3.914 1.00 . A A . 29 LEU HB3 1 1 12 6188 1 1 29 LEU HD11 H 11.408 4.949 -7.005 1.00 . A A . 29 LEU HD11 1 1 12 6189 1 1 29 LEU HD12 H 11.385 6.650 -7.470 1.00 . A A . 29 LEU HD12 1 1 12 6190 1 1 29 LEU HD13 H 9.948 5.655 -7.697 1.00 . A A . 29 LEU HD13 1 1 12 6191 1 1 29 LEU HD21 H 8.604 7.223 -4.878 1.00 . A A . 29 LEU HD21 1 1 12 6192 1 1 29 LEU HD22 H 8.664 7.158 -6.640 1.00 . A A . 29 LEU HD22 1 1 12 6193 1 1 29 LEU HD23 H 9.718 8.266 -5.763 1.00 . A A . 29 LEU HD23 1 1 12 6194 1 1 29 LEU HG H 11.161 6.616 -5.121 1.00 . A A . 29 LEU HG 1 1 12 6195 1 1 29 LEU N N 10.188 2.766 -3.980 1.00 . A A . 29 LEU N 1 1 12 6196 1 1 29 LEU O O 13.063 4.203 -5.301 1.00 . A A . 29 LEU O 1 1 12 6197 1 1 30 ALA C C 14.593 4.148 -2.591 1.00 . A A . 30 ALA C 1 1 12 6198 1 1 30 ALA CA C 13.536 5.234 -2.765 1.00 . A A . 30 ALA CA 1 1 12 6199 1 1 30 ALA CB C 13.300 5.952 -1.450 1.00 . A A . 30 ALA CB 1 1 12 6200 1 1 30 ALA H H 11.481 4.742 -2.678 1.00 . A A . 30 ALA H 1 1 12 6201 1 1 30 ALA HA H 13.897 5.959 -3.477 1.00 . A A . 30 ALA HA 1 1 12 6202 1 1 30 ALA HB1 H 13.117 6.998 -1.639 1.00 . A A . 30 ALA HB1 1 1 12 6203 1 1 30 ALA HB2 H 14.169 5.844 -0.818 1.00 . A A . 30 ALA HB2 1 1 12 6204 1 1 30 ALA HB3 H 12.440 5.520 -0.959 1.00 . A A . 30 ALA HB3 1 1 12 6205 1 1 30 ALA N N 12.268 4.712 -3.262 1.00 . A A . 30 ALA N 1 1 12 6206 1 1 30 ALA O O 15.790 4.431 -2.652 1.00 . A A . 30 ALA O 1 1 12 6207 1 1 31 ASN C C 15.553 1.253 -3.532 1.00 . A A . 31 ASN C 1 1 12 6208 1 1 31 ASN CA C 15.105 1.818 -2.190 1.00 . A A . 31 ASN CA 1 1 12 6209 1 1 31 ASN CB C 14.488 0.716 -1.333 1.00 . A A . 31 ASN CB 1 1 12 6210 1 1 31 ASN CG C 15.473 0.136 -0.336 1.00 . A A . 31 ASN CG 1 1 12 6211 1 1 31 ASN H H 13.200 2.739 -2.323 1.00 . A A . 31 ASN H 1 1 12 6212 1 1 31 ASN HA H 15.970 2.213 -1.679 1.00 . A A . 31 ASN HA 1 1 12 6213 1 1 31 ASN HB2 H 13.654 1.125 -0.786 1.00 . A A . 31 ASN HB2 1 1 12 6214 1 1 31 ASN HB3 H 14.139 -0.082 -1.975 1.00 . A A . 31 ASN HB3 1 1 12 6215 1 1 31 ASN HD21 H 14.456 0.940 1.173 1.00 . A A . 31 ASN HD21 1 1 12 6216 1 1 31 ASN HD22 H 15.860 0.035 1.613 1.00 . A A . 31 ASN HD22 1 1 12 6217 1 1 31 ASN N N 14.164 2.915 -2.369 1.00 . A A . 31 ASN N 1 1 12 6218 1 1 31 ASN ND2 N 15.239 0.396 0.946 1.00 . A A . 31 ASN ND2 1 1 12 6219 1 1 31 ASN O O 16.735 0.971 -3.734 1.00 . A A . 31 ASN O 1 1 12 6220 1 1 31 ASN OD1 O 16.432 -0.538 -0.712 1.00 . A A . 31 ASN OD1 1 1 12 6221 1 1 32 GLY C C 15.749 -0.723 -5.683 1.00 . A A . 32 GLY C 1 1 12 6222 1 1 32 GLY CA C 14.924 0.548 -5.761 1.00 . A A . 32 GLY CA 1 1 12 6223 1 1 32 GLY H H 13.678 1.322 -4.232 1.00 . A A . 32 GLY H 1 1 12 6224 1 1 32 GLY HA2 H 14.006 0.337 -6.289 1.00 . A A . 32 GLY HA2 1 1 12 6225 1 1 32 GLY HA3 H 15.481 1.290 -6.315 1.00 . A A . 32 GLY HA3 1 1 12 6226 1 1 32 GLY N N 14.603 1.084 -4.448 1.00 . A A . 32 GLY N 1 1 12 6227 1 1 32 GLY O O 16.941 -0.715 -5.988 1.00 . A A . 32 GLY O 1 1 12 6228 1 1 33 GLY C C 15.958 -3.784 -6.488 1.00 . A A . 33 GLY C 1 1 12 6229 1 1 33 GLY CA C 15.817 -3.077 -5.158 1.00 . A A . 33 GLY CA 1 1 12 6230 1 1 33 GLY H H 14.166 -1.769 -5.040 1.00 . A A . 33 GLY H 1 1 12 6231 1 1 33 GLY HA2 H 16.802 -2.895 -4.754 1.00 . A A . 33 GLY HA2 1 1 12 6232 1 1 33 GLY HA3 H 15.275 -3.718 -4.479 1.00 . A A . 33 GLY HA3 1 1 12 6233 1 1 33 GLY N N 15.116 -1.817 -5.271 1.00 . A A . 33 GLY N 1 1 12 6234 1 1 33 GLY O O 16.186 -3.150 -7.519 1.00 . A A . 33 GLY O 1 1 12 6235 1 1 34 ASN C C 14.563 -6.243 -8.242 1.00 . A A . 34 ASN C 1 1 12 6236 1 1 34 ASN CA C 15.938 -5.907 -7.670 1.00 . A A . 34 ASN CA 1 1 12 6237 1 1 34 ASN CB C 16.717 -7.192 -7.381 1.00 . A A . 34 ASN CB 1 1 12 6238 1 1 34 ASN CG C 18.218 -6.974 -7.414 1.00 . A A . 34 ASN CG 1 1 12 6239 1 1 34 ASN H H 15.643 -5.542 -5.606 1.00 . A A . 34 ASN H 1 1 12 6240 1 1 34 ASN HA H 16.481 -5.327 -8.399 1.00 . A A . 34 ASN HA 1 1 12 6241 1 1 34 ASN HB2 H 16.448 -7.559 -6.402 1.00 . A A . 34 ASN HB2 1 1 12 6242 1 1 34 ASN HB3 H 16.463 -7.935 -8.122 1.00 . A A . 34 ASN HB3 1 1 12 6243 1 1 34 ASN HD21 H 18.413 -7.883 -5.657 1.00 . A A . 34 ASN HD21 1 1 12 6244 1 1 34 ASN HD22 H 19.877 -7.308 -6.371 1.00 . A A . 34 ASN HD22 1 1 12 6245 1 1 34 ASN N N 15.824 -5.102 -6.461 1.00 . A A . 34 ASN N 1 1 12 6246 1 1 34 ASN ND2 N 18.905 -7.436 -6.376 1.00 . A A . 34 ASN ND2 1 1 12 6247 1 1 34 ASN O O 14.193 -5.767 -9.315 1.00 . A A . 34 ASN O 1 1 12 6248 1 1 34 ASN OD1 O 18.753 -6.396 -8.361 1.00 . A A . 34 ASN OD1 1 1 12 6249 1 1 35 GLY C C 11.422 -6.474 -7.578 1.00 . A A . 35 GLY C 1 1 12 6250 1 1 35 GLY CA C 12.495 -7.469 -7.974 1.00 . A A . 35 GLY CA 1 1 12 6251 1 1 35 GLY H H 14.168 -7.426 -6.678 1.00 . A A . 35 GLY H 1 1 12 6252 1 1 35 GLY HA2 H 12.507 -7.562 -9.052 1.00 . A A . 35 GLY HA2 1 1 12 6253 1 1 35 GLY HA3 H 12.254 -8.431 -7.546 1.00 . A A . 35 GLY HA3 1 1 12 6254 1 1 35 GLY N N 13.816 -7.074 -7.522 1.00 . A A . 35 GLY N 1 1 12 6255 1 1 35 GLY O O 11.244 -6.183 -6.395 1.00 . A A . 35 GLY O 1 1 12 6256 1 1 36 PHE C C 8.369 -5.678 -7.807 1.00 . A A . 36 PHE C 1 1 12 6257 1 1 36 PHE CA C 9.635 -4.987 -8.315 1.00 . A A . 36 PHE CA 1 1 12 6258 1 1 36 PHE CB C 9.325 -4.198 -9.591 1.00 . A A . 36 PHE CB 1 1 12 6259 1 1 36 PHE CD1 C 11.256 -2.597 -9.630 1.00 . A A . 36 PHE CD1 1 1 12 6260 1 1 36 PHE CD2 C 10.983 -4.087 -11.472 1.00 . A A . 36 PHE CD2 1 1 12 6261 1 1 36 PHE CE1 C 12.381 -2.061 -10.226 1.00 . A A . 36 PHE CE1 1 1 12 6262 1 1 36 PHE CE2 C 12.108 -3.555 -12.072 1.00 . A A . 36 PHE CE2 1 1 12 6263 1 1 36 PHE CG C 10.544 -3.614 -10.245 1.00 . A A . 36 PHE CG 1 1 12 6264 1 1 36 PHE CZ C 12.808 -2.541 -11.449 1.00 . A A . 36 PHE CZ 1 1 12 6265 1 1 36 PHE H H 10.886 -6.231 -9.489 1.00 . A A . 36 PHE H 1 1 12 6266 1 1 36 PHE HA H 9.985 -4.300 -7.554 1.00 . A A . 36 PHE HA 1 1 12 6267 1 1 36 PHE HB2 H 8.845 -4.850 -10.304 1.00 . A A . 36 PHE HB2 1 1 12 6268 1 1 36 PHE HB3 H 8.656 -3.384 -9.348 1.00 . A A . 36 PHE HB3 1 1 12 6269 1 1 36 PHE HD1 H 10.923 -2.222 -8.673 1.00 . A A . 36 PHE HD1 1 1 12 6270 1 1 36 PHE HD2 H 10.435 -4.879 -11.961 1.00 . A A . 36 PHE HD2 1 1 12 6271 1 1 36 PHE HE1 H 12.927 -1.268 -9.735 1.00 . A A . 36 PHE HE1 1 1 12 6272 1 1 36 PHE HE2 H 12.439 -3.932 -13.029 1.00 . A A . 36 PHE HE2 1 1 12 6273 1 1 36 PHE HZ H 13.687 -2.124 -11.916 1.00 . A A . 36 PHE HZ 1 1 12 6274 1 1 36 PHE N N 10.699 -5.956 -8.567 1.00 . A A . 36 PHE N 1 1 12 6275 1 1 36 PHE O O 7.296 -5.540 -8.397 1.00 . A A . 36 PHE O 1 1 12 6276 1 1 37 TRP C C 7.696 -7.582 -4.700 1.00 . A A . 37 TRP C 1 1 12 6277 1 1 37 TRP CA C 7.365 -7.122 -6.117 1.00 . A A . 37 TRP CA 1 1 12 6278 1 1 37 TRP CB C 6.961 -8.321 -6.981 1.00 . A A . 37 TRP CB 1 1 12 6279 1 1 37 TRP CD1 C 5.872 -10.375 -5.902 1.00 . A A . 37 TRP CD1 1 1 12 6280 1 1 37 TRP CD2 C 4.459 -8.679 -6.279 1.00 . A A . 37 TRP CD2 1 1 12 6281 1 1 37 TRP CE2 C 3.744 -9.735 -5.686 1.00 . A A . 37 TRP CE2 1 1 12 6282 1 1 37 TRP CE3 C 3.778 -7.503 -6.606 1.00 . A A . 37 TRP CE3 1 1 12 6283 1 1 37 TRP CG C 5.820 -9.108 -6.408 1.00 . A A . 37 TRP CG 1 1 12 6284 1 1 37 TRP CH2 C 1.739 -8.489 -5.744 1.00 . A A . 37 TRP CH2 1 1 12 6285 1 1 37 TRP CZ2 C 2.380 -9.651 -5.414 1.00 . A A . 37 TRP CZ2 1 1 12 6286 1 1 37 TRP CZ3 C 2.425 -7.420 -6.336 1.00 . A A . 37 TRP CZ3 1 1 12 6287 1 1 37 TRP H H 9.377 -6.487 -6.281 1.00 . A A . 37 TRP H 1 1 12 6288 1 1 37 TRP HA H 6.537 -6.429 -6.067 1.00 . A A . 37 TRP HA 1 1 12 6289 1 1 37 TRP HB2 H 6.664 -7.969 -7.957 1.00 . A A . 37 TRP HB2 1 1 12 6290 1 1 37 TRP HB3 H 7.806 -8.985 -7.082 1.00 . A A . 37 TRP HB3 1 1 12 6291 1 1 37 TRP HD1 H 6.768 -10.975 -5.858 1.00 . A A . 37 TRP HD1 1 1 12 6292 1 1 37 TRP HE1 H 4.408 -11.625 -5.061 1.00 . A A . 37 TRP HE1 1 1 12 6293 1 1 37 TRP HE3 H 4.290 -6.669 -7.063 1.00 . A A . 37 TRP HE3 1 1 12 6294 1 1 37 TRP HH2 H 0.682 -8.379 -5.551 1.00 . A A . 37 TRP HH2 1 1 12 6295 1 1 37 TRP HZ2 H 1.837 -10.465 -4.958 1.00 . A A . 37 TRP HZ2 1 1 12 6296 1 1 37 TRP HZ3 H 1.882 -6.520 -6.581 1.00 . A A . 37 TRP HZ3 1 1 12 6297 1 1 37 TRP N N 8.499 -6.418 -6.709 1.00 . A A . 37 TRP N 1 1 12 6298 1 1 37 TRP NE1 N 4.627 -10.759 -5.466 1.00 . A A . 37 TRP NE1 1 1 12 6299 1 1 37 TRP O O 6.754 -7.751 -3.899 1.00 . A A . 37 TRP O 1 1 12 6300 1 1 37 TRP OXT O 8.895 -7.771 -4.406 1.00 . A A . 37 TRP OXT 1 1 13 6301 1 1 1 LYS C C -6.948 -4.443 6.591 1.00 . A A . 1 LYS C 1 1 13 6302 1 1 1 LYS CA C -7.892 -5.239 7.462 1.00 . A A . 1 LYS CA 1 1 13 6303 1 1 1 LYS CB C -8.113 -6.592 6.787 1.00 . A A . 1 LYS CB 1 1 13 6304 1 1 1 LYS CD C -6.900 -8.667 6.028 1.00 . A A . 1 LYS CD 1 1 13 6305 1 1 1 LYS CE C -5.863 -9.188 5.044 1.00 . A A . 1 LYS CE 1 1 13 6306 1 1 1 LYS CG C -6.847 -7.151 6.152 1.00 . A A . 1 LYS CG 1 1 13 6307 1 1 1 LYS HA H -7.456 -5.385 8.437 1.00 . A A . 1 LYS HA 1 1 13 6308 1 1 1 LYS HB2 H -8.476 -7.300 7.515 1.00 . A A . 1 LYS HB2 1 1 13 6309 1 1 1 LYS HB3 H -8.850 -6.470 6.004 1.00 . A A . 1 LYS HB3 1 1 13 6310 1 1 1 LYS HD2 H -6.711 -9.103 6.996 1.00 . A A . 1 LYS HD2 1 1 13 6311 1 1 1 LYS HD3 H -7.883 -8.955 5.687 1.00 . A A . 1 LYS HD3 1 1 13 6312 1 1 1 LYS HE2 H -5.302 -8.353 4.652 1.00 . A A . 1 LYS HE2 1 1 13 6313 1 1 1 LYS HE3 H -5.193 -9.854 5.568 1.00 . A A . 1 LYS HE3 1 1 13 6314 1 1 1 LYS HG2 H -6.734 -6.717 5.167 1.00 . A A . 1 LYS HG2 1 1 13 6315 1 1 1 LYS HG3 H -5.999 -6.873 6.760 1.00 . A A . 1 LYS HG3 1 1 13 6316 1 1 1 LYS HZ1 H -5.770 -10.152 3.193 1.00 . A A . 1 LYS HZ1 1 1 13 6317 1 1 1 LYS HZ2 H -7.229 -9.343 3.469 1.00 . A A . 1 LYS HZ2 1 1 13 6318 1 1 1 LYS HZ3 H -6.915 -10.810 4.250 1.00 . A A . 1 LYS HZ3 1 1 13 6319 1 1 1 LYS N N -9.202 -4.554 7.605 1.00 . A A . 1 LYS N 1 1 13 6320 1 1 1 LYS NZ N -6.488 -9.924 3.910 1.00 . A A . 1 LYS NZ 1 1 13 6321 1 1 1 LYS O O -7.384 -3.751 5.684 1.00 . A A . 1 LYS O 1 1 13 6322 1 1 2 TYR C C -4.301 -4.843 4.836 1.00 . A A . 2 TYR C 1 1 13 6323 1 1 2 TYR CA C -4.657 -3.939 6.007 1.00 . A A . 2 TYR CA 1 1 13 6324 1 1 2 TYR CB C -3.408 -3.621 6.807 1.00 . A A . 2 TYR CB 1 1 13 6325 1 1 2 TYR CD1 C -3.799 -1.225 7.282 1.00 . A A . 2 TYR CD1 1 1 13 6326 1 1 2 TYR CD2 C -1.930 -1.786 5.932 1.00 . A A . 2 TYR CD2 1 1 13 6327 1 1 2 TYR CE1 C -3.492 0.107 7.168 1.00 . A A . 2 TYR CE1 1 1 13 6328 1 1 2 TYR CE2 C -1.613 -0.455 5.804 1.00 . A A . 2 TYR CE2 1 1 13 6329 1 1 2 TYR CG C -3.027 -2.185 6.677 1.00 . A A . 2 TYR CG 1 1 13 6330 1 1 2 TYR CZ C -2.396 0.492 6.429 1.00 . A A . 2 TYR CZ 1 1 13 6331 1 1 2 TYR H H -5.359 -5.195 7.542 1.00 . A A . 2 TYR H 1 1 13 6332 1 1 2 TYR HA H -5.085 -3.014 5.638 1.00 . A A . 2 TYR HA 1 1 13 6333 1 1 2 TYR HB2 H -3.589 -3.827 7.851 1.00 . A A . 2 TYR HB2 1 1 13 6334 1 1 2 TYR HB3 H -2.585 -4.221 6.453 1.00 . A A . 2 TYR HB3 1 1 13 6335 1 1 2 TYR HD1 H -4.660 -1.540 7.851 1.00 . A A . 2 TYR HD1 1 1 13 6336 1 1 2 TYR HD2 H -1.317 -2.529 5.450 1.00 . A A . 2 TYR HD2 1 1 13 6337 1 1 2 TYR HE1 H -4.111 0.842 7.654 1.00 . A A . 2 TYR HE1 1 1 13 6338 1 1 2 TYR HE2 H -0.764 -0.160 5.211 1.00 . A A . 2 TYR HE2 1 1 13 6339 1 1 2 TYR HH H -2.887 2.313 6.102 1.00 . A A . 2 TYR HH 1 1 13 6340 1 1 2 TYR N N -5.652 -4.597 6.828 1.00 . A A . 2 TYR N 1 1 13 6341 1 1 2 TYR O O -4.742 -5.989 4.782 1.00 . A A . 2 TYR O 1 1 13 6342 1 1 2 TYR OH O -2.090 1.824 6.303 1.00 . A A . 2 TYR OH 1 1 13 6343 1 1 3 TYR C C -1.610 -5.079 2.491 1.00 . A A . 3 TYR C 1 1 13 6344 1 1 3 TYR CA C -3.114 -5.151 2.749 1.00 . A A . 3 TYR CA 1 1 13 6345 1 1 3 TYR CB C -3.906 -4.715 1.513 1.00 . A A . 3 TYR CB 1 1 13 6346 1 1 3 TYR CD1 C -5.175 -6.782 0.838 1.00 . A A . 3 TYR CD1 1 1 13 6347 1 1 3 TYR CD2 C -6.413 -4.956 1.743 1.00 . A A . 3 TYR CD2 1 1 13 6348 1 1 3 TYR CE1 C -6.338 -7.516 0.716 1.00 . A A . 3 TYR CE1 1 1 13 6349 1 1 3 TYR CE2 C -7.581 -5.684 1.620 1.00 . A A . 3 TYR CE2 1 1 13 6350 1 1 3 TYR CG C -5.190 -5.493 1.352 1.00 . A A . 3 TYR CG 1 1 13 6351 1 1 3 TYR CZ C -7.538 -6.962 1.107 1.00 . A A . 3 TYR CZ 1 1 13 6352 1 1 3 TYR H H -3.175 -3.427 3.989 1.00 . A A . 3 TYR H 1 1 13 6353 1 1 3 TYR HA H -3.368 -6.181 2.971 1.00 . A A . 3 TYR HA 1 1 13 6354 1 1 3 TYR HB2 H -4.156 -3.667 1.602 1.00 . A A . 3 TYR HB2 1 1 13 6355 1 1 3 TYR HB3 H -3.307 -4.867 0.627 1.00 . A A . 3 TYR HB3 1 1 13 6356 1 1 3 TYR HD1 H -4.235 -7.211 0.531 1.00 . A A . 3 TYR HD1 1 1 13 6357 1 1 3 TYR HD2 H -6.445 -3.954 2.148 1.00 . A A . 3 TYR HD2 1 1 13 6358 1 1 3 TYR HE1 H -6.304 -8.517 0.313 1.00 . A A . 3 TYR HE1 1 1 13 6359 1 1 3 TYR HE2 H -8.521 -5.250 1.927 1.00 . A A . 3 TYR HE2 1 1 13 6360 1 1 3 TYR HH H -8.794 -7.986 0.079 1.00 . A A . 3 TYR HH 1 1 13 6361 1 1 3 TYR N N -3.504 -4.345 3.903 1.00 . A A . 3 TYR N 1 1 13 6362 1 1 3 TYR O O -1.007 -6.041 2.014 1.00 . A A . 3 TYR O 1 1 13 6363 1 1 3 TYR OH O -8.697 -7.690 0.986 1.00 . A A . 3 TYR OH 1 1 13 6364 1 1 4 GLY C C 0.741 -2.439 1.993 1.00 . A A . 4 GLY C 1 1 13 6365 1 1 4 GLY CA C 0.419 -3.776 2.615 1.00 . A A . 4 GLY CA 1 1 13 6366 1 1 4 GLY H H -1.534 -3.207 3.186 1.00 . A A . 4 GLY H 1 1 13 6367 1 1 4 GLY HA2 H 0.917 -3.853 3.579 1.00 . A A . 4 GLY HA2 1 1 13 6368 1 1 4 GLY HA3 H 0.777 -4.562 1.970 1.00 . A A . 4 GLY HA3 1 1 13 6369 1 1 4 GLY N N -1.008 -3.941 2.808 1.00 . A A . 4 GLY N 1 1 13 6370 1 1 4 GLY O O 1.746 -1.810 2.323 1.00 . A A . 4 GLY O 1 1 13 6371 1 1 5 ASN C C -0.887 0.319 1.067 1.00 . A A . 5 ASN C 1 1 13 6372 1 1 5 ASN CA C 0.019 -0.723 0.424 1.00 . A A . 5 ASN CA 1 1 13 6373 1 1 5 ASN CB C -0.318 -0.882 -1.061 1.00 . A A . 5 ASN CB 1 1 13 6374 1 1 5 ASN CG C 0.835 -1.480 -1.847 1.00 . A A . 5 ASN CG 1 1 13 6375 1 1 5 ASN H H -0.924 -2.549 0.901 1.00 . A A . 5 ASN H 1 1 13 6376 1 1 5 ASN HA H 1.051 -0.407 0.522 1.00 . A A . 5 ASN HA 1 1 13 6377 1 1 5 ASN HB2 H -1.176 -1.532 -1.161 1.00 . A A . 5 ASN HB2 1 1 13 6378 1 1 5 ASN HB3 H -0.554 0.087 -1.480 1.00 . A A . 5 ASN HB3 1 1 13 6379 1 1 5 ASN HD21 H 1.752 0.283 -1.885 1.00 . A A . 5 ASN HD21 1 1 13 6380 1 1 5 ASN HD22 H 2.583 -1.012 -2.671 1.00 . A A . 5 ASN HD22 1 1 13 6381 1 1 5 ASN N N -0.137 -1.999 1.103 1.00 . A A . 5 ASN N 1 1 13 6382 1 1 5 ASN ND2 N 1.823 -0.654 -2.168 1.00 . A A . 5 ASN ND2 1 1 13 6383 1 1 5 ASN O O -1.654 0.998 0.382 1.00 . A A . 5 ASN O 1 1 13 6384 1 1 5 ASN OD1 O 0.838 -2.672 -2.158 1.00 . A A . 5 ASN OD1 1 1 13 6385 1 1 6 GLY C C -3.123 1.193 2.757 1.00 . A A . 6 GLY C 1 1 13 6386 1 1 6 GLY CA C -1.660 1.363 3.104 1.00 . A A . 6 GLY CA 1 1 13 6387 1 1 6 GLY H H -0.208 -0.166 2.896 1.00 . A A . 6 GLY H 1 1 13 6388 1 1 6 GLY HA2 H -1.529 1.227 4.165 1.00 . A A . 6 GLY HA2 1 1 13 6389 1 1 6 GLY HA3 H -1.360 2.365 2.841 1.00 . A A . 6 GLY HA3 1 1 13 6390 1 1 6 GLY N N -0.818 0.420 2.395 1.00 . A A . 6 GLY N 1 1 13 6391 1 1 6 GLY O O -3.915 2.113 2.935 1.00 . A A . 6 GLY O 1 1 13 6392 1 1 7 VAL C C -5.582 -1.143 2.863 1.00 . A A . 7 VAL C 1 1 13 6393 1 1 7 VAL CA C -4.867 -0.251 1.863 1.00 . A A . 7 VAL CA 1 1 13 6394 1 1 7 VAL CB C -4.980 -0.913 0.477 1.00 . A A . 7 VAL CB 1 1 13 6395 1 1 7 VAL CG1 C -6.376 -1.460 0.293 1.00 . A A . 7 VAL CG1 1 1 13 6396 1 1 7 VAL CG2 C -4.685 0.081 -0.624 1.00 . A A . 7 VAL CG2 1 1 13 6397 1 1 7 VAL H H -2.803 -0.678 2.127 1.00 . A A . 7 VAL H 1 1 13 6398 1 1 7 VAL HA H -5.391 0.692 1.814 1.00 . A A . 7 VAL HA 1 1 13 6399 1 1 7 VAL HB H -4.273 -1.726 0.415 1.00 . A A . 7 VAL HB 1 1 13 6400 1 1 7 VAL HG11 H -7.076 -0.752 0.713 1.00 . A A . 7 VAL HG11 1 1 13 6401 1 1 7 VAL HG12 H -6.462 -2.407 0.804 1.00 . A A . 7 VAL HG12 1 1 13 6402 1 1 7 VAL HG13 H -6.577 -1.588 -0.758 1.00 . A A . 7 VAL HG13 1 1 13 6403 1 1 7 VAL HG21 H -5.546 0.154 -1.273 1.00 . A A . 7 VAL HG21 1 1 13 6404 1 1 7 VAL HG22 H -3.830 -0.253 -1.190 1.00 . A A . 7 VAL HG22 1 1 13 6405 1 1 7 VAL HG23 H -4.482 1.047 -0.189 1.00 . A A . 7 VAL HG23 1 1 13 6406 1 1 7 VAL N N -3.483 0.019 2.247 1.00 . A A . 7 VAL N 1 1 13 6407 1 1 7 VAL O O -5.138 -2.253 3.150 1.00 . A A . 7 VAL O 1 1 13 6408 1 1 8 HIS C C -8.990 -1.293 3.952 1.00 . A A . 8 HIS C 1 1 13 6409 1 1 8 HIS CA C -7.519 -1.436 4.286 1.00 . A A . 8 HIS CA 1 1 13 6410 1 1 8 HIS CB C -7.289 -1.016 5.738 1.00 . A A . 8 HIS CB 1 1 13 6411 1 1 8 HIS CD2 C -5.445 0.722 5.378 1.00 . A A . 8 HIS CD2 1 1 13 6412 1 1 8 HIS CE1 C -6.322 2.378 6.514 1.00 . A A . 8 HIS CE1 1 1 13 6413 1 1 8 HIS CG C -6.616 0.298 5.878 1.00 . A A . 8 HIS CG 1 1 13 6414 1 1 8 HIS H H -7.030 0.218 3.066 1.00 . A A . 8 HIS H 1 1 13 6415 1 1 8 HIS HA H -7.236 -2.468 4.171 1.00 . A A . 8 HIS HA 1 1 13 6416 1 1 8 HIS HB2 H -8.242 -0.957 6.244 1.00 . A A . 8 HIS HB2 1 1 13 6417 1 1 8 HIS HB3 H -6.673 -1.757 6.221 1.00 . A A . 8 HIS HB3 1 1 13 6418 1 1 8 HIS HD1 H -7.992 1.344 7.079 1.00 . A A . 8 HIS HD1 1 1 13 6419 1 1 8 HIS HD2 H -4.750 0.121 4.797 1.00 . A A . 8 HIS HD2 1 1 13 6420 1 1 8 HIS HE1 H -6.478 3.342 6.970 1.00 . A A . 8 HIS HE1 1 1 13 6421 1 1 8 HIS HE2 H -4.613 2.645 5.425 1.00 . A A . 8 HIS HE2 1 1 13 6422 1 1 8 HIS N N -6.714 -0.664 3.356 1.00 . A A . 8 HIS N 1 1 13 6423 1 1 8 HIS ND1 N -7.144 1.350 6.588 1.00 . A A . 8 HIS ND1 1 1 13 6424 1 1 8 HIS NE2 N -5.279 2.025 5.784 1.00 . A A . 8 HIS NE2 1 1 13 6425 1 1 8 HIS O O -9.489 -0.183 3.762 1.00 . A A . 8 HIS O 1 1 13 6426 1 1 9 CYS C C -11.879 -2.648 4.893 1.00 . A A . 9 CYS C 1 1 13 6427 1 1 9 CYS CA C -11.103 -2.389 3.613 1.00 . A A . 9 CYS CA 1 1 13 6428 1 1 9 CYS CB C -11.469 -3.417 2.549 1.00 . A A . 9 CYS CB 1 1 13 6429 1 1 9 CYS H H -9.241 -3.267 4.071 1.00 . A A . 9 CYS H 1 1 13 6430 1 1 9 CYS HA H -11.344 -1.405 3.251 1.00 . A A . 9 CYS HA 1 1 13 6431 1 1 9 CYS HB2 H -11.359 -4.406 2.960 1.00 . A A . 9 CYS HB2 1 1 13 6432 1 1 9 CYS HB3 H -12.495 -3.257 2.263 1.00 . A A . 9 CYS HB3 1 1 13 6433 1 1 9 CYS N N -9.687 -2.412 3.899 1.00 . A A . 9 CYS N 1 1 13 6434 1 1 9 CYS O O -11.937 -3.776 5.384 1.00 . A A . 9 CYS O 1 1 13 6435 1 1 9 CYS SG S -10.459 -3.327 1.038 1.00 . A A . 9 CYS SG 1 1 13 6436 1 1 10 THR C C -14.691 -1.801 6.426 1.00 . A A . 10 THR C 1 1 13 6437 1 1 10 THR CA C -13.197 -1.685 6.687 1.00 . A A . 10 THR CA 1 1 13 6438 1 1 10 THR CB C -12.908 -0.465 7.564 1.00 . A A . 10 THR CB 1 1 13 6439 1 1 10 THR CG2 C -11.430 -0.190 7.745 1.00 . A A . 10 THR CG2 1 1 13 6440 1 1 10 THR H H -12.348 -0.714 5.013 1.00 . A A . 10 THR H 1 1 13 6441 1 1 10 THR HA H -12.870 -2.572 7.203 1.00 . A A . 10 THR HA 1 1 13 6442 1 1 10 THR HB H -13.337 -0.625 8.543 1.00 . A A . 10 THR HB 1 1 13 6443 1 1 10 THR HG1 H -13.364 0.694 6.054 1.00 . A A . 10 THR HG1 1 1 13 6444 1 1 10 THR HG21 H -11.030 0.239 6.838 1.00 . A A . 10 THR HG21 1 1 13 6445 1 1 10 THR HG22 H -10.916 -1.115 7.963 1.00 . A A . 10 THR HG22 1 1 13 6446 1 1 10 THR HG23 H -11.289 0.501 8.564 1.00 . A A . 10 THR HG23 1 1 13 6447 1 1 10 THR N N -12.449 -1.588 5.444 1.00 . A A . 10 THR N 1 1 13 6448 1 1 10 THR O O -15.123 -2.030 5.297 1.00 . A A . 10 THR O 1 1 13 6449 1 1 10 THR OG1 O -13.492 0.699 7.007 1.00 . A A . 10 THR OG1 1 1 13 6450 1 1 11 LYS C C -17.496 -0.687 6.468 1.00 . A A . 11 LYS C 1 1 13 6451 1 1 11 LYS CA C -16.917 -1.756 7.395 1.00 . A A . 11 LYS CA 1 1 13 6452 1 1 11 LYS CB C -17.524 -1.646 8.791 1.00 . A A . 11 LYS CB 1 1 13 6453 1 1 11 LYS CD C -18.189 -0.170 10.714 1.00 . A A . 11 LYS CD 1 1 13 6454 1 1 11 LYS CE C -19.321 0.845 10.708 1.00 . A A . 11 LYS CE 1 1 13 6455 1 1 11 LYS CG C -17.498 -0.237 9.361 1.00 . A A . 11 LYS CG 1 1 13 6456 1 1 11 LYS H H -15.060 -1.486 8.360 1.00 . A A . 11 LYS H 1 1 13 6457 1 1 11 LYS HA H -17.153 -2.728 6.989 1.00 . A A . 11 LYS HA 1 1 13 6458 1 1 11 LYS HB2 H -18.551 -1.979 8.753 1.00 . A A . 11 LYS HB2 1 1 13 6459 1 1 11 LYS HB3 H -16.969 -2.290 9.458 1.00 . A A . 11 LYS HB3 1 1 13 6460 1 1 11 LYS HD2 H -18.592 -1.143 10.952 1.00 . A A . 11 LYS HD2 1 1 13 6461 1 1 11 LYS HD3 H -17.465 0.116 11.463 1.00 . A A . 11 LYS HD3 1 1 13 6462 1 1 11 LYS HE2 H -20.019 0.580 9.928 1.00 . A A . 11 LYS HE2 1 1 13 6463 1 1 11 LYS HE3 H -19.820 0.813 11.665 1.00 . A A . 11 LYS HE3 1 1 13 6464 1 1 11 LYS HG2 H -16.472 0.076 9.477 1.00 . A A . 11 LYS HG2 1 1 13 6465 1 1 11 LYS HG3 H -18.004 0.426 8.675 1.00 . A A . 11 LYS HG3 1 1 13 6466 1 1 11 LYS HZ1 H -19.614 2.902 10.501 1.00 . A A . 11 LYS HZ1 1 1 13 6467 1 1 11 LYS HZ2 H -18.378 2.285 9.525 1.00 . A A . 11 LYS HZ2 1 1 13 6468 1 1 11 LYS HZ3 H -18.123 2.486 11.185 1.00 . A A . 11 LYS HZ3 1 1 13 6469 1 1 11 LYS N N -15.471 -1.656 7.487 1.00 . A A . 11 LYS N 1 1 13 6470 1 1 11 LYS NZ N -18.824 2.227 10.463 1.00 . A A . 11 LYS NZ 1 1 13 6471 1 1 11 LYS O O -18.636 -0.799 6.017 1.00 . A A . 11 LYS O 1 1 13 6472 1 1 12 SER C C -16.762 1.105 3.848 1.00 . A A . 12 SER C 1 1 13 6473 1 1 12 SER CA C -17.147 1.413 5.293 1.00 . A A . 12 SER CA 1 1 13 6474 1 1 12 SER CB C -16.538 2.746 5.728 1.00 . A A . 12 SER CB 1 1 13 6475 1 1 12 SER H H -15.803 0.380 6.558 1.00 . A A . 12 SER H 1 1 13 6476 1 1 12 SER HA H -18.219 1.479 5.364 1.00 . A A . 12 SER HA 1 1 13 6477 1 1 12 SER HB2 H -15.848 2.573 6.536 1.00 . A A . 12 SER HB2 1 1 13 6478 1 1 12 SER HB3 H -16.014 3.190 4.895 1.00 . A A . 12 SER HB3 1 1 13 6479 1 1 12 SER HG H -17.856 3.376 7.035 1.00 . A A . 12 SER HG 1 1 13 6480 1 1 12 SER N N -16.705 0.342 6.176 1.00 . A A . 12 SER N 1 1 13 6481 1 1 12 SER O O -17.401 1.577 2.908 1.00 . A A . 12 SER O 1 1 13 6482 1 1 12 SER OG O -17.540 3.646 6.169 1.00 . A A . 12 SER OG 1 1 13 6483 1 1 13 GLY C C -13.731 -0.090 2.295 1.00 . A A . 13 GLY C 1 1 13 6484 1 1 13 GLY CA C -15.243 -0.063 2.364 1.00 . A A . 13 GLY CA 1 1 13 6485 1 1 13 GLY H H -15.245 -0.037 4.476 1.00 . A A . 13 GLY H 1 1 13 6486 1 1 13 GLY HA2 H -15.625 -1.042 2.117 1.00 . A A . 13 GLY HA2 1 1 13 6487 1 1 13 GLY HA3 H -15.615 0.652 1.644 1.00 . A A . 13 GLY HA3 1 1 13 6488 1 1 13 GLY N N -15.711 0.306 3.686 1.00 . A A . 13 GLY N 1 1 13 6489 1 1 13 GLY O O -13.065 -0.163 3.327 1.00 . A A . 13 GLY O 1 1 13 6490 1 1 14 CYS C C -11.211 1.403 0.896 1.00 . A A . 14 CYS C 1 1 13 6491 1 1 14 CYS CA C -11.738 -0.019 0.924 1.00 . A A . 14 CYS CA 1 1 13 6492 1 1 14 CYS CB C -11.320 -0.769 -0.338 1.00 . A A . 14 CYS CB 1 1 13 6493 1 1 14 CYS H H -13.758 0.047 0.299 1.00 . A A . 14 CYS H 1 1 13 6494 1 1 14 CYS HA H -11.308 -0.508 1.775 1.00 . A A . 14 CYS HA 1 1 13 6495 1 1 14 CYS HB2 H -11.799 -0.321 -1.192 1.00 . A A . 14 CYS HB2 1 1 13 6496 1 1 14 CYS HB3 H -10.250 -0.688 -0.443 1.00 . A A . 14 CYS HB3 1 1 13 6497 1 1 14 CYS N N -13.181 -0.019 1.089 1.00 . A A . 14 CYS N 1 1 13 6498 1 1 14 CYS O O -11.697 2.249 0.144 1.00 . A A . 14 CYS O 1 1 13 6499 1 1 14 CYS SG S -11.737 -2.541 -0.330 1.00 . A A . 14 CYS SG 1 1 13 6500 1 1 15 SER C C -8.099 2.888 1.880 1.00 . A A . 15 SER C 1 1 13 6501 1 1 15 SER CA C -9.614 2.982 1.817 1.00 . A A . 15 SER CA 1 1 13 6502 1 1 15 SER CB C -10.146 3.731 3.042 1.00 . A A . 15 SER CB 1 1 13 6503 1 1 15 SER H H -9.875 0.928 2.301 1.00 . A A . 15 SER H 1 1 13 6504 1 1 15 SER HA H -9.889 3.528 0.927 1.00 . A A . 15 SER HA 1 1 13 6505 1 1 15 SER HB2 H -9.891 3.184 3.937 1.00 . A A . 15 SER HB2 1 1 13 6506 1 1 15 SER HB3 H -9.700 4.714 3.083 1.00 . A A . 15 SER HB3 1 1 13 6507 1 1 15 SER HG H -11.800 4.762 3.243 1.00 . A A . 15 SER HG 1 1 13 6508 1 1 15 SER N N -10.213 1.655 1.728 1.00 . A A . 15 SER N 1 1 13 6509 1 1 15 SER O O -7.536 1.797 1.803 1.00 . A A . 15 SER O 1 1 13 6510 1 1 15 SER OG O -11.555 3.871 2.982 1.00 . A A . 15 SER OG 1 1 13 6511 1 1 16 VAL C C -5.531 5.136 3.091 1.00 . A A . 16 VAL C 1 1 13 6512 1 1 16 VAL CA C -5.993 4.089 2.079 1.00 . A A . 16 VAL CA 1 1 13 6513 1 1 16 VAL CB C -5.371 4.423 0.711 1.00 . A A . 16 VAL CB 1 1 13 6514 1 1 16 VAL CG1 C -3.860 4.400 0.784 1.00 . A A . 16 VAL CG1 1 1 13 6515 1 1 16 VAL CG2 C -5.824 3.454 -0.346 1.00 . A A . 16 VAL CG2 1 1 13 6516 1 1 16 VAL H H -7.955 4.875 2.052 1.00 . A A . 16 VAL H 1 1 13 6517 1 1 16 VAL HA H -5.642 3.119 2.388 1.00 . A A . 16 VAL HA 1 1 13 6518 1 1 16 VAL HB H -5.695 5.411 0.427 1.00 . A A . 16 VAL HB 1 1 13 6519 1 1 16 VAL HG11 H -3.501 5.376 1.046 1.00 . A A . 16 VAL HG11 1 1 13 6520 1 1 16 VAL HG12 H -3.459 4.112 -0.181 1.00 . A A . 16 VAL HG12 1 1 13 6521 1 1 16 VAL HG13 H -3.549 3.685 1.529 1.00 . A A . 16 VAL HG13 1 1 13 6522 1 1 16 VAL HG21 H -5.032 3.343 -1.075 1.00 . A A . 16 VAL HG21 1 1 13 6523 1 1 16 VAL HG22 H -6.711 3.835 -0.828 1.00 . A A . 16 VAL HG22 1 1 13 6524 1 1 16 VAL HG23 H -6.028 2.499 0.116 1.00 . A A . 16 VAL HG23 1 1 13 6525 1 1 16 VAL N N -7.447 4.039 2.007 1.00 . A A . 16 VAL N 1 1 13 6526 1 1 16 VAL O O -5.966 6.285 3.048 1.00 . A A . 16 VAL O 1 1 13 6527 1 1 17 ASN C C -3.215 6.701 4.313 1.00 . A A . 17 ASN C 1 1 13 6528 1 1 17 ASN CA C -4.110 5.669 4.991 1.00 . A A . 17 ASN CA 1 1 13 6529 1 1 17 ASN CB C -3.323 4.919 6.067 1.00 . A A . 17 ASN CB 1 1 13 6530 1 1 17 ASN CG C -4.061 4.869 7.392 1.00 . A A . 17 ASN CG 1 1 13 6531 1 1 17 ASN H H -4.314 3.817 3.976 1.00 . A A . 17 ASN H 1 1 13 6532 1 1 17 ASN HA H -4.943 6.173 5.450 1.00 . A A . 17 ASN HA 1 1 13 6533 1 1 17 ASN HB2 H -3.146 3.911 5.733 1.00 . A A . 17 ASN HB2 1 1 13 6534 1 1 17 ASN HB3 H -2.371 5.415 6.225 1.00 . A A . 17 ASN HB3 1 1 13 6535 1 1 17 ASN HD21 H -3.307 3.070 7.780 1.00 . A A . 17 ASN HD21 1 1 13 6536 1 1 17 ASN HD22 H -4.360 3.718 8.987 1.00 . A A . 17 ASN HD22 1 1 13 6537 1 1 17 ASN N N -4.638 4.742 3.994 1.00 . A A . 17 ASN N 1 1 13 6538 1 1 17 ASN ND2 N -3.892 3.775 8.127 1.00 . A A . 17 ASN ND2 1 1 13 6539 1 1 17 ASN O O -2.988 7.791 4.837 1.00 . A A . 17 ASN O 1 1 13 6540 1 1 17 ASN OD1 O -4.771 5.806 7.754 1.00 . A A . 17 ASN OD1 1 1 13 6541 1 1 18 TRP C C -0.493 7.385 2.997 1.00 . A A . 18 TRP C 1 1 13 6542 1 1 18 TRP CA C -1.845 7.185 2.342 1.00 . A A . 18 TRP CA 1 1 13 6543 1 1 18 TRP CB C -2.552 8.500 2.031 1.00 . A A . 18 TRP CB 1 1 13 6544 1 1 18 TRP CD1 C -4.980 8.368 1.226 1.00 . A A . 18 TRP CD1 1 1 13 6545 1 1 18 TRP CD2 C -3.456 7.846 -0.313 1.00 . A A . 18 TRP CD2 1 1 13 6546 1 1 18 TRP CE2 C -4.727 7.724 -0.890 1.00 . A A . 18 TRP CE2 1 1 13 6547 1 1 18 TRP CE3 C -2.338 7.564 -1.085 1.00 . A A . 18 TRP CE3 1 1 13 6548 1 1 18 TRP CG C -3.637 8.278 1.030 1.00 . A A . 18 TRP CG 1 1 13 6549 1 1 18 TRP CH2 C -3.791 7.055 -2.940 1.00 . A A . 18 TRP CH2 1 1 13 6550 1 1 18 TRP CZ2 C -4.906 7.328 -2.207 1.00 . A A . 18 TRP CZ2 1 1 13 6551 1 1 18 TRP CZ3 C -2.513 7.167 -2.391 1.00 . A A . 18 TRP CZ3 1 1 13 6552 1 1 18 TRP H H -2.941 5.447 2.792 1.00 . A A . 18 TRP H 1 1 13 6553 1 1 18 TRP HA H -1.669 6.672 1.405 1.00 . A A . 18 TRP HA 1 1 13 6554 1 1 18 TRP HB2 H -2.991 8.901 2.934 1.00 . A A . 18 TRP HB2 1 1 13 6555 1 1 18 TRP HB3 H -1.846 9.206 1.620 1.00 . A A . 18 TRP HB3 1 1 13 6556 1 1 18 TRP HD1 H -5.437 8.649 2.157 1.00 . A A . 18 TRP HD1 1 1 13 6557 1 1 18 TRP HE1 H -6.617 8.053 -0.046 1.00 . A A . 18 TRP HE1 1 1 13 6558 1 1 18 TRP HE3 H -1.348 7.633 -0.667 1.00 . A A . 18 TRP HE3 1 1 13 6559 1 1 18 TRP HH2 H -3.886 6.729 -3.961 1.00 . A A . 18 TRP HH2 1 1 13 6560 1 1 18 TRP HZ2 H -5.888 7.239 -2.648 1.00 . A A . 18 TRP HZ2 1 1 13 6561 1 1 18 TRP HZ3 H -1.655 6.941 -3.006 1.00 . A A . 18 TRP HZ3 1 1 13 6562 1 1 18 TRP N N -2.712 6.329 3.138 1.00 . A A . 18 TRP N 1 1 13 6563 1 1 18 TRP NE1 N -5.644 8.049 0.071 1.00 . A A . 18 TRP NE1 1 1 13 6564 1 1 18 TRP O O 0.525 6.992 2.434 1.00 . A A . 18 TRP O 1 1 13 6565 1 1 19 GLY C C 1.487 6.783 5.070 1.00 . A A . 19 GLY C 1 1 13 6566 1 1 19 GLY CA C 0.814 8.125 4.854 1.00 . A A . 19 GLY CA 1 1 13 6567 1 1 19 GLY H H -1.294 8.236 4.627 1.00 . A A . 19 GLY H 1 1 13 6568 1 1 19 GLY HA2 H 1.450 8.740 4.226 1.00 . A A . 19 GLY HA2 1 1 13 6569 1 1 19 GLY HA3 H 0.666 8.610 5.805 1.00 . A A . 19 GLY HA3 1 1 13 6570 1 1 19 GLY N N -0.463 7.956 4.191 1.00 . A A . 19 GLY N 1 1 13 6571 1 1 19 GLY O O 2.714 6.689 5.102 1.00 . A A . 19 GLY O 1 1 13 6572 1 1 20 GLU C C 1.668 3.864 4.019 1.00 . A A . 20 GLU C 1 1 13 6573 1 1 20 GLU CA C 1.164 4.378 5.359 1.00 . A A . 20 GLU CA 1 1 13 6574 1 1 20 GLU CB C 0.059 3.465 5.901 1.00 . A A . 20 GLU CB 1 1 13 6575 1 1 20 GLU CD C 1.124 2.056 7.713 1.00 . A A . 20 GLU CD 1 1 13 6576 1 1 20 GLU CG C 0.176 3.197 7.393 1.00 . A A . 20 GLU CG 1 1 13 6577 1 1 20 GLU H H -0.301 5.882 5.130 1.00 . A A . 20 GLU H 1 1 13 6578 1 1 20 GLU HA H 1.986 4.405 6.060 1.00 . A A . 20 GLU HA 1 1 13 6579 1 1 20 GLU HB2 H -0.901 3.928 5.712 1.00 . A A . 20 GLU HB2 1 1 13 6580 1 1 20 GLU HB3 H 0.100 2.517 5.381 1.00 . A A . 20 GLU HB3 1 1 13 6581 1 1 20 GLU HG2 H 0.539 4.090 7.879 1.00 . A A . 20 GLU HG2 1 1 13 6582 1 1 20 GLU HG3 H -0.803 2.951 7.780 1.00 . A A . 20 GLU HG3 1 1 13 6583 1 1 20 GLU N N 0.666 5.736 5.186 1.00 . A A . 20 GLU N 1 1 13 6584 1 1 20 GLU O O 2.735 3.255 3.929 1.00 . A A . 20 GLU O 1 1 13 6585 1 1 20 GLU OE1 O 0.857 0.919 7.271 1.00 . A A . 20 GLU OE1 1 1 13 6586 1 1 20 GLU OE2 O 2.131 2.300 8.410 1.00 . A A . 20 GLU OE2 1 1 13 6587 1 1 21 ALA C C 2.442 4.575 1.151 1.00 . A A . 21 ALA C 1 1 13 6588 1 1 21 ALA CA C 1.254 3.757 1.624 1.00 . A A . 21 ALA CA 1 1 13 6589 1 1 21 ALA CB C 0.076 3.981 0.705 1.00 . A A . 21 ALA CB 1 1 13 6590 1 1 21 ALA H H 0.065 4.656 3.113 1.00 . A A . 21 ALA H 1 1 13 6591 1 1 21 ALA HA H 1.508 2.705 1.621 1.00 . A A . 21 ALA HA 1 1 13 6592 1 1 21 ALA HB1 H -0.070 5.044 0.578 1.00 . A A . 21 ALA HB1 1 1 13 6593 1 1 21 ALA HB2 H -0.807 3.544 1.145 1.00 . A A . 21 ALA HB2 1 1 13 6594 1 1 21 ALA HB3 H 0.273 3.525 -0.252 1.00 . A A . 21 ALA HB3 1 1 13 6595 1 1 21 ALA N N 0.895 4.150 2.973 1.00 . A A . 21 ALA N 1 1 13 6596 1 1 21 ALA O O 3.323 4.074 0.453 1.00 . A A . 21 ALA O 1 1 13 6597 1 1 22 PHE C C 4.857 6.118 1.786 1.00 . A A . 22 PHE C 1 1 13 6598 1 1 22 PHE CA C 3.578 6.720 1.243 1.00 . A A . 22 PHE CA 1 1 13 6599 1 1 22 PHE CB C 3.359 8.101 1.862 1.00 . A A . 22 PHE CB 1 1 13 6600 1 1 22 PHE CD1 C 5.647 9.126 1.999 1.00 . A A . 22 PHE CD1 1 1 13 6601 1 1 22 PHE CD2 C 4.085 10.045 0.449 1.00 . A A . 22 PHE CD2 1 1 13 6602 1 1 22 PHE CE1 C 6.595 10.049 1.595 1.00 . A A . 22 PHE CE1 1 1 13 6603 1 1 22 PHE CE2 C 5.029 10.971 0.043 1.00 . A A . 22 PHE CE2 1 1 13 6604 1 1 22 PHE CG C 4.383 9.114 1.432 1.00 . A A . 22 PHE CG 1 1 13 6605 1 1 22 PHE CZ C 6.286 10.971 0.616 1.00 . A A . 22 PHE CZ 1 1 13 6606 1 1 22 PHE H H 1.763 6.160 2.163 1.00 . A A . 22 PHE H 1 1 13 6607 1 1 22 PHE HA H 3.641 6.803 0.166 1.00 . A A . 22 PHE HA 1 1 13 6608 1 1 22 PHE HB2 H 2.385 8.468 1.577 1.00 . A A . 22 PHE HB2 1 1 13 6609 1 1 22 PHE HB3 H 3.404 8.013 2.939 1.00 . A A . 22 PHE HB3 1 1 13 6610 1 1 22 PHE HD1 H 5.892 8.404 2.765 1.00 . A A . 22 PHE HD1 1 1 13 6611 1 1 22 PHE HD2 H 3.103 10.046 0.001 1.00 . A A . 22 PHE HD2 1 1 13 6612 1 1 22 PHE HE1 H 7.577 10.047 2.045 1.00 . A A . 22 PHE HE1 1 1 13 6613 1 1 22 PHE HE2 H 4.784 11.692 -0.723 1.00 . A A . 22 PHE HE2 1 1 13 6614 1 1 22 PHE HZ H 7.025 11.692 0.299 1.00 . A A . 22 PHE HZ 1 1 13 6615 1 1 22 PHE N N 2.479 5.832 1.582 1.00 . A A . 22 PHE N 1 1 13 6616 1 1 22 PHE O O 5.908 6.163 1.151 1.00 . A A . 22 PHE O 1 1 13 6617 1 1 23 SER C C 6.255 3.628 2.820 1.00 . A A . 23 SER C 1 1 13 6618 1 1 23 SER CA C 5.851 4.859 3.619 1.00 . A A . 23 SER CA 1 1 13 6619 1 1 23 SER CB C 5.483 4.460 5.050 1.00 . A A . 23 SER CB 1 1 13 6620 1 1 23 SER H H 3.843 5.504 3.391 1.00 . A A . 23 SER H 1 1 13 6621 1 1 23 SER HA H 6.685 5.549 3.641 1.00 . A A . 23 SER HA 1 1 13 6622 1 1 23 SER HB2 H 4.698 5.104 5.413 1.00 . A A . 23 SER HB2 1 1 13 6623 1 1 23 SER HB3 H 5.141 3.436 5.058 1.00 . A A . 23 SER HB3 1 1 13 6624 1 1 23 SER HG H 6.876 3.698 6.198 1.00 . A A . 23 SER HG 1 1 13 6625 1 1 23 SER N N 4.730 5.521 2.965 1.00 . A A . 23 SER N 1 1 13 6626 1 1 23 SER O O 7.420 3.232 2.804 1.00 . A A . 23 SER O 1 1 13 6627 1 1 23 SER OG O 6.599 4.574 5.916 1.00 . A A . 23 SER OG 1 1 13 6628 1 1 24 ALA C C 6.181 2.238 0.034 1.00 . A A . 24 ALA C 1 1 13 6629 1 1 24 ALA CA C 5.509 1.848 1.340 1.00 . A A . 24 ALA CA 1 1 13 6630 1 1 24 ALA CB C 4.198 1.133 1.064 1.00 . A A . 24 ALA CB 1 1 13 6631 1 1 24 ALA H H 4.367 3.402 2.204 1.00 . A A . 24 ALA H 1 1 13 6632 1 1 24 ALA HA H 6.156 1.181 1.891 1.00 . A A . 24 ALA HA 1 1 13 6633 1 1 24 ALA HB1 H 3.537 1.248 1.911 1.00 . A A . 24 ALA HB1 1 1 13 6634 1 1 24 ALA HB2 H 4.388 0.083 0.896 1.00 . A A . 24 ALA HB2 1 1 13 6635 1 1 24 ALA HB3 H 3.736 1.560 0.185 1.00 . A A . 24 ALA HB3 1 1 13 6636 1 1 24 ALA N N 5.274 3.031 2.153 1.00 . A A . 24 ALA N 1 1 13 6637 1 1 24 ALA O O 7.175 1.636 -0.374 1.00 . A A . 24 ALA O 1 1 13 6638 1 1 25 GLY C C 7.598 4.258 -1.695 1.00 . A A . 25 GLY C 1 1 13 6639 1 1 25 GLY CA C 6.188 3.726 -1.865 1.00 . A A . 25 GLY CA 1 1 13 6640 1 1 25 GLY H H 4.839 3.695 -0.236 1.00 . A A . 25 GLY H 1 1 13 6641 1 1 25 GLY HA2 H 6.203 2.907 -2.570 1.00 . A A . 25 GLY HA2 1 1 13 6642 1 1 25 GLY HA3 H 5.562 4.513 -2.255 1.00 . A A . 25 GLY HA3 1 1 13 6643 1 1 25 GLY N N 5.630 3.256 -0.614 1.00 . A A . 25 GLY N 1 1 13 6644 1 1 25 GLY O O 8.443 4.084 -2.572 1.00 . A A . 25 GLY O 1 1 13 6645 1 1 26 VAL C C 10.195 4.335 -0.110 1.00 . A A . 26 VAL C 1 1 13 6646 1 1 26 VAL CA C 9.177 5.451 -0.276 1.00 . A A . 26 VAL CA 1 1 13 6647 1 1 26 VAL CB C 9.184 6.323 0.997 1.00 . A A . 26 VAL CB 1 1 13 6648 1 1 26 VAL CG1 C 10.583 6.850 1.274 1.00 . A A . 26 VAL CG1 1 1 13 6649 1 1 26 VAL CG2 C 8.198 7.472 0.870 1.00 . A A . 26 VAL CG2 1 1 13 6650 1 1 26 VAL H H 7.143 5.002 0.108 1.00 . A A . 26 VAL H 1 1 13 6651 1 1 26 VAL HA H 9.472 6.068 -1.117 1.00 . A A . 26 VAL HA 1 1 13 6652 1 1 26 VAL HB H 8.881 5.708 1.835 1.00 . A A . 26 VAL HB 1 1 13 6653 1 1 26 VAL HG11 H 10.546 7.570 2.078 1.00 . A A . 26 VAL HG11 1 1 13 6654 1 1 26 VAL HG12 H 10.969 7.324 0.384 1.00 . A A . 26 VAL HG12 1 1 13 6655 1 1 26 VAL HG13 H 11.229 6.030 1.553 1.00 . A A . 26 VAL HG13 1 1 13 6656 1 1 26 VAL HG21 H 8.735 8.389 0.676 1.00 . A A . 26 VAL HG21 1 1 13 6657 1 1 26 VAL HG22 H 7.641 7.570 1.790 1.00 . A A . 26 VAL HG22 1 1 13 6658 1 1 26 VAL HG23 H 7.517 7.273 0.057 1.00 . A A . 26 VAL HG23 1 1 13 6659 1 1 26 VAL N N 7.855 4.902 -0.558 1.00 . A A . 26 VAL N 1 1 13 6660 1 1 26 VAL O O 11.331 4.455 -0.552 1.00 . A A . 26 VAL O 1 1 13 6661 1 1 27 HIS C C 11.118 1.570 -0.641 1.00 . A A . 27 HIS C 1 1 13 6662 1 1 27 HIS CA C 10.691 2.118 0.713 1.00 . A A . 27 HIS CA 1 1 13 6663 1 1 27 HIS CB C 10.014 1.024 1.542 1.00 . A A . 27 HIS CB 1 1 13 6664 1 1 27 HIS CD2 C 8.983 0.830 3.909 1.00 . A A . 27 HIS CD2 1 1 13 6665 1 1 27 HIS CE1 C 9.426 2.859 4.600 1.00 . A A . 27 HIS CE1 1 1 13 6666 1 1 27 HIS CG C 9.619 1.478 2.905 1.00 . A A . 27 HIS CG 1 1 13 6667 1 1 27 HIS H H 8.866 3.187 0.849 1.00 . A A . 27 HIS H 1 1 13 6668 1 1 27 HIS HA H 11.565 2.477 1.243 1.00 . A A . 27 HIS HA 1 1 13 6669 1 1 27 HIS HB2 H 9.123 0.692 1.036 1.00 . A A . 27 HIS HB2 1 1 13 6670 1 1 27 HIS HB3 H 10.692 0.195 1.655 1.00 . A A . 27 HIS HB3 1 1 13 6671 1 1 27 HIS HD1 H 10.335 3.455 2.873 1.00 . A A . 27 HIS HD1 1 1 13 6672 1 1 27 HIS HD2 H 8.626 -0.190 3.892 1.00 . A A . 27 HIS HD2 1 1 13 6673 1 1 27 HIS HE1 H 9.489 3.740 5.208 1.00 . A A . 27 HIS HE1 1 1 13 6674 1 1 27 HIS HE2 H 8.558 1.493 5.854 1.00 . A A . 27 HIS HE2 1 1 13 6675 1 1 27 HIS N N 9.787 3.242 0.518 1.00 . A A . 27 HIS N 1 1 13 6676 1 1 27 HIS ND1 N 9.881 2.744 3.371 1.00 . A A . 27 HIS ND1 1 1 13 6677 1 1 27 HIS NE2 N 8.874 1.714 4.953 1.00 . A A . 27 HIS NE2 1 1 13 6678 1 1 27 HIS O O 12.293 1.284 -0.869 1.00 . A A . 27 HIS O 1 1 13 6679 1 1 28 ARG C C 11.141 2.008 -3.731 1.00 . A A . 28 ARG C 1 1 13 6680 1 1 28 ARG CA C 10.401 0.964 -2.893 1.00 . A A . 28 ARG CA 1 1 13 6681 1 1 28 ARG CB C 9.079 0.602 -3.573 1.00 . A A . 28 ARG CB 1 1 13 6682 1 1 28 ARG CD C 6.784 -0.354 -3.214 1.00 . A A . 28 ARG CD 1 1 13 6683 1 1 28 ARG CG C 8.244 -0.401 -2.794 1.00 . A A . 28 ARG CG 1 1 13 6684 1 1 28 ARG CZ C 5.324 -1.316 -4.950 1.00 . A A . 28 ARG CZ 1 1 13 6685 1 1 28 ARG H H 9.239 1.715 -1.297 1.00 . A A . 28 ARG H 1 1 13 6686 1 1 28 ARG HA H 11.013 0.078 -2.818 1.00 . A A . 28 ARG HA 1 1 13 6687 1 1 28 ARG HB2 H 8.496 1.503 -3.696 1.00 . A A . 28 ARG HB2 1 1 13 6688 1 1 28 ARG HB3 H 9.290 0.185 -4.545 1.00 . A A . 28 ARG HB3 1 1 13 6689 1 1 28 ARG HD2 H 6.173 -0.695 -2.389 1.00 . A A . 28 ARG HD2 1 1 13 6690 1 1 28 ARG HD3 H 6.523 0.666 -3.453 1.00 . A A . 28 ARG HD3 1 1 13 6691 1 1 28 ARG HE H 7.273 -1.698 -4.753 1.00 . A A . 28 ARG HE 1 1 13 6692 1 1 28 ARG HG2 H 8.628 -1.393 -2.974 1.00 . A A . 28 ARG HG2 1 1 13 6693 1 1 28 ARG HG3 H 8.313 -0.172 -1.740 1.00 . A A . 28 ARG HG3 1 1 13 6694 1 1 28 ARG HH11 H 4.388 -0.060 -3.670 1.00 . A A . 28 ARG HH11 1 1 13 6695 1 1 28 ARG HH12 H 3.385 -0.748 -4.901 1.00 . A A . 28 ARG HH12 1 1 13 6696 1 1 28 ARG HH21 H 5.953 -2.604 -6.374 1.00 . A A . 28 ARG HH21 1 1 13 6697 1 1 28 ARG HH22 H 4.272 -2.193 -6.437 1.00 . A A . 28 ARG HH22 1 1 13 6698 1 1 28 ARG N N 10.150 1.451 -1.543 1.00 . A A . 28 ARG N 1 1 13 6699 1 1 28 ARG NE N 6.519 -1.197 -4.378 1.00 . A A . 28 ARG NE 1 1 13 6700 1 1 28 ARG NH1 N 4.280 -0.654 -4.466 1.00 . A A . 28 ARG NH1 1 1 13 6701 1 1 28 ARG NH2 N 5.170 -2.103 -6.007 1.00 . A A . 28 ARG NH2 1 1 13 6702 1 1 28 ARG O O 12.083 1.686 -4.455 1.00 . A A . 28 ARG O 1 1 13 6703 1 1 29 LEU C C 12.672 4.722 -3.878 1.00 . A A . 29 LEU C 1 1 13 6704 1 1 29 LEU CA C 11.281 4.362 -4.390 1.00 . A A . 29 LEU CA 1 1 13 6705 1 1 29 LEU CB C 10.366 5.588 -4.316 1.00 . A A . 29 LEU CB 1 1 13 6706 1 1 29 LEU CD1 C 11.474 6.784 -6.223 1.00 . A A . 29 LEU CD1 1 1 13 6707 1 1 29 LEU CD2 C 9.995 8.045 -4.649 1.00 . A A . 29 LEU CD2 1 1 13 6708 1 1 29 LEU CG C 10.991 6.903 -4.787 1.00 . A A . 29 LEU CG 1 1 13 6709 1 1 29 LEU H H 9.935 3.445 -3.041 1.00 . A A . 29 LEU H 1 1 13 6710 1 1 29 LEU HA H 11.358 4.052 -5.417 1.00 . A A . 29 LEU HA 1 1 13 6711 1 1 29 LEU HB2 H 9.492 5.392 -4.922 1.00 . A A . 29 LEU HB2 1 1 13 6712 1 1 29 LEU HB3 H 10.049 5.712 -3.291 1.00 . A A . 29 LEU HB3 1 1 13 6713 1 1 29 LEU HD11 H 10.767 6.201 -6.794 1.00 . A A . 29 LEU HD11 1 1 13 6714 1 1 29 LEU HD12 H 12.438 6.297 -6.240 1.00 . A A . 29 LEU HD12 1 1 13 6715 1 1 29 LEU HD13 H 11.561 7.769 -6.658 1.00 . A A . 29 LEU HD13 1 1 13 6716 1 1 29 LEU HD21 H 9.479 8.188 -5.587 1.00 . A A . 29 LEU HD21 1 1 13 6717 1 1 29 LEU HD22 H 10.519 8.951 -4.384 1.00 . A A . 29 LEU HD22 1 1 13 6718 1 1 29 LEU HD23 H 9.278 7.804 -3.877 1.00 . A A . 29 LEU HD23 1 1 13 6719 1 1 29 LEU HG H 11.846 7.129 -4.166 1.00 . A A . 29 LEU HG 1 1 13 6720 1 1 29 LEU N N 10.691 3.259 -3.634 1.00 . A A . 29 LEU N 1 1 13 6721 1 1 29 LEU O O 13.595 4.958 -4.658 1.00 . A A . 29 LEU O 1 1 13 6722 1 1 30 ALA C C 15.091 4.037 -2.000 1.00 . A A . 30 ALA C 1 1 13 6723 1 1 30 ALA CA C 14.050 5.151 -1.918 1.00 . A A . 30 ALA CA 1 1 13 6724 1 1 30 ALA CB C 13.783 5.516 -0.468 1.00 . A A . 30 ALA CB 1 1 13 6725 1 1 30 ALA H H 12.012 4.610 -2.010 1.00 . A A . 30 ALA H 1 1 13 6726 1 1 30 ALA HA H 14.438 6.028 -2.416 1.00 . A A . 30 ALA HA 1 1 13 6727 1 1 30 ALA HB1 H 14.606 6.103 -0.085 1.00 . A A . 30 ALA HB1 1 1 13 6728 1 1 30 ALA HB2 H 13.681 4.613 0.116 1.00 . A A . 30 ALA HB2 1 1 13 6729 1 1 30 ALA HB3 H 12.870 6.089 -0.406 1.00 . A A . 30 ALA HB3 1 1 13 6730 1 1 30 ALA N N 12.796 4.789 -2.565 1.00 . A A . 30 ALA N 1 1 13 6731 1 1 30 ALA O O 16.246 4.236 -1.623 1.00 . A A . 30 ALA O 1 1 13 6732 1 1 31 ASN C C 16.452 1.862 -3.874 1.00 . A A . 31 ASN C 1 1 13 6733 1 1 31 ASN CA C 15.615 1.747 -2.604 1.00 . A A . 31 ASN CA 1 1 13 6734 1 1 31 ASN CB C 14.857 0.418 -2.599 1.00 . A A . 31 ASN CB 1 1 13 6735 1 1 31 ASN CG C 15.785 -0.771 -2.457 1.00 . A A . 31 ASN CG 1 1 13 6736 1 1 31 ASN H H 13.760 2.755 -2.772 1.00 . A A . 31 ASN H 1 1 13 6737 1 1 31 ASN HA H 16.275 1.776 -1.752 1.00 . A A . 31 ASN HA 1 1 13 6738 1 1 31 ASN HB2 H 14.163 0.409 -1.772 1.00 . A A . 31 ASN HB2 1 1 13 6739 1 1 31 ASN HB3 H 14.310 0.319 -3.525 1.00 . A A . 31 ASN HB3 1 1 13 6740 1 1 31 ASN HD21 H 15.544 -1.220 -4.379 1.00 . A A . 31 ASN HD21 1 1 13 6741 1 1 31 ASN HD22 H 16.590 -2.268 -3.489 1.00 . A A . 31 ASN HD22 1 1 13 6742 1 1 31 ASN N N 14.690 2.869 -2.486 1.00 . A A . 31 ASN N 1 1 13 6743 1 1 31 ASN ND2 N 15.994 -1.493 -3.552 1.00 . A A . 31 ASN ND2 1 1 13 6744 1 1 31 ASN O O 17.547 1.309 -3.958 1.00 . A A . 31 ASN O 1 1 13 6745 1 1 31 ASN OD1 O 16.311 -1.038 -1.376 1.00 . A A . 31 ASN OD1 1 1 13 6746 1 1 32 GLY C C 16.045 1.923 -7.235 1.00 . A A . 32 GLY C 1 1 13 6747 1 1 32 GLY CA C 16.640 2.752 -6.114 1.00 . A A . 32 GLY CA 1 1 13 6748 1 1 32 GLY H H 15.048 2.997 -4.741 1.00 . A A . 32 GLY H 1 1 13 6749 1 1 32 GLY HA2 H 16.606 3.794 -6.395 1.00 . A A . 32 GLY HA2 1 1 13 6750 1 1 32 GLY HA3 H 17.671 2.461 -5.974 1.00 . A A . 32 GLY HA3 1 1 13 6751 1 1 32 GLY N N 15.928 2.580 -4.862 1.00 . A A . 32 GLY N 1 1 13 6752 1 1 32 GLY O O 16.770 1.399 -8.081 1.00 . A A . 32 GLY O 1 1 13 6753 1 1 33 GLY C C 14.318 -0.456 -8.152 1.00 . A A . 33 GLY C 1 1 13 6754 1 1 33 GLY CA C 14.054 1.034 -8.275 1.00 . A A . 33 GLY CA 1 1 13 6755 1 1 33 GLY H H 14.195 2.245 -6.545 1.00 . A A . 33 GLY H 1 1 13 6756 1 1 33 GLY HA2 H 12.989 1.208 -8.208 1.00 . A A . 33 GLY HA2 1 1 13 6757 1 1 33 GLY HA3 H 14.402 1.371 -9.240 1.00 . A A . 33 GLY HA3 1 1 13 6758 1 1 33 GLY N N 14.722 1.805 -7.243 1.00 . A A . 33 GLY N 1 1 13 6759 1 1 33 GLY O O 15.455 -0.903 -8.297 1.00 . A A . 33 GLY O 1 1 13 6760 1 1 34 ASN C C 13.220 -3.358 -9.106 1.00 . A A . 34 ASN C 1 1 13 6761 1 1 34 ASN CA C 13.393 -2.671 -7.754 1.00 . A A . 34 ASN CA 1 1 13 6762 1 1 34 ASN CB C 12.362 -3.206 -6.757 1.00 . A A . 34 ASN CB 1 1 13 6763 1 1 34 ASN CG C 10.935 -2.987 -7.221 1.00 . A A . 34 ASN CG 1 1 13 6764 1 1 34 ASN H H 12.385 -0.810 -7.788 1.00 . A A . 34 ASN H 1 1 13 6765 1 1 34 ASN HA H 14.384 -2.882 -7.382 1.00 . A A . 34 ASN HA 1 1 13 6766 1 1 34 ASN HB2 H 12.518 -4.267 -6.623 1.00 . A A . 34 ASN HB2 1 1 13 6767 1 1 34 ASN HB3 H 12.495 -2.705 -5.809 1.00 . A A . 34 ASN HB3 1 1 13 6768 1 1 34 ASN HD21 H 10.520 -4.910 -6.929 1.00 . A A . 34 ASN HD21 1 1 13 6769 1 1 34 ASN HD22 H 9.215 -3.940 -7.517 1.00 . A A . 34 ASN HD22 1 1 13 6770 1 1 34 ASN N N 13.267 -1.225 -7.890 1.00 . A A . 34 ASN N 1 1 13 6771 1 1 34 ASN ND2 N 10.144 -4.054 -7.223 1.00 . A A . 34 ASN ND2 1 1 13 6772 1 1 34 ASN O O 13.706 -4.469 -9.316 1.00 . A A . 34 ASN O 1 1 13 6773 1 1 34 ASN OD1 O 10.548 -1.873 -7.573 1.00 . A A . 34 ASN OD1 1 1 13 6774 1 1 35 GLY C C 11.651 -2.243 -12.279 1.00 . A A . 35 GLY C 1 1 13 6775 1 1 35 GLY CA C 12.297 -3.244 -11.342 1.00 . A A . 35 GLY CA 1 1 13 6776 1 1 35 GLY H H 12.158 -1.807 -9.795 1.00 . A A . 35 GLY H 1 1 13 6777 1 1 35 GLY HA2 H 13.246 -3.552 -11.759 1.00 . A A . 35 GLY HA2 1 1 13 6778 1 1 35 GLY HA3 H 11.655 -4.108 -11.254 1.00 . A A . 35 GLY HA3 1 1 13 6779 1 1 35 GLY N N 12.522 -2.688 -10.020 1.00 . A A . 35 GLY N 1 1 13 6780 1 1 35 GLY O O 10.914 -1.361 -11.840 1.00 . A A . 35 GLY O 1 1 13 6781 1 1 36 PHE C C 11.462 -2.073 -15.968 1.00 . A A . 36 PHE C 1 1 13 6782 1 1 36 PHE CA C 11.371 -1.468 -14.571 1.00 . A A . 36 PHE CA 1 1 13 6783 1 1 36 PHE CB C 12.099 -0.123 -14.537 1.00 . A A . 36 PHE CB 1 1 13 6784 1 1 36 PHE CD1 C 10.424 1.703 -14.139 1.00 . A A . 36 PHE CD1 1 1 13 6785 1 1 36 PHE CD2 C 11.306 1.436 -16.338 1.00 . A A . 36 PHE CD2 1 1 13 6786 1 1 36 PHE CE1 C 9.652 2.763 -14.574 1.00 . A A . 36 PHE CE1 1 1 13 6787 1 1 36 PHE CE2 C 10.536 2.495 -16.780 1.00 . A A . 36 PHE CE2 1 1 13 6788 1 1 36 PHE CG C 11.259 1.029 -15.015 1.00 . A A . 36 PHE CG 1 1 13 6789 1 1 36 PHE CZ C 9.708 3.160 -15.896 1.00 . A A . 36 PHE CZ 1 1 13 6790 1 1 36 PHE H H 12.528 -3.095 -13.862 1.00 . A A . 36 PHE H 1 1 13 6791 1 1 36 PHE HA H 10.330 -1.311 -14.327 1.00 . A A . 36 PHE HA 1 1 13 6792 1 1 36 PHE HB2 H 12.403 0.088 -13.525 1.00 . A A . 36 PHE HB2 1 1 13 6793 1 1 36 PHE HB3 H 12.975 -0.181 -15.167 1.00 . A A . 36 PHE HB3 1 1 13 6794 1 1 36 PHE HD1 H 10.380 1.394 -13.105 1.00 . A A . 36 PHE HD1 1 1 13 6795 1 1 36 PHE HD2 H 11.954 0.917 -17.030 1.00 . A A . 36 PHE HD2 1 1 13 6796 1 1 36 PHE HE1 H 9.005 3.280 -13.881 1.00 . A A . 36 PHE HE1 1 1 13 6797 1 1 36 PHE HE2 H 10.582 2.803 -17.814 1.00 . A A . 36 PHE HE2 1 1 13 6798 1 1 36 PHE HZ H 9.105 3.988 -16.238 1.00 . A A . 36 PHE HZ 1 1 13 6799 1 1 36 PHE N N 11.931 -2.374 -13.573 1.00 . A A . 36 PHE N 1 1 13 6800 1 1 36 PHE O O 12.555 -2.327 -16.475 1.00 . A A . 36 PHE O 1 1 13 6801 1 1 37 TRP C C 10.618 -1.835 -18.979 1.00 . A A . 37 TRP C 1 1 13 6802 1 1 37 TRP CA C 10.254 -2.874 -17.924 1.00 . A A . 37 TRP CA 1 1 13 6803 1 1 37 TRP CB C 8.857 -3.432 -18.205 1.00 . A A . 37 TRP CB 1 1 13 6804 1 1 37 TRP CD1 C 7.232 -1.503 -18.655 1.00 . A A . 37 TRP CD1 1 1 13 6805 1 1 37 TRP CD2 C 7.041 -2.408 -16.617 1.00 . A A . 37 TRP CD2 1 1 13 6806 1 1 37 TRP CE2 C 6.101 -1.368 -16.735 1.00 . A A . 37 TRP CE2 1 1 13 6807 1 1 37 TRP CE3 C 7.104 -3.125 -15.418 1.00 . A A . 37 TRP CE3 1 1 13 6808 1 1 37 TRP CG C 7.754 -2.479 -17.856 1.00 . A A . 37 TRP CG 1 1 13 6809 1 1 37 TRP CH2 C 5.318 -1.745 -14.540 1.00 . A A . 37 TRP CH2 1 1 13 6810 1 1 37 TRP CZ2 C 5.233 -1.026 -15.701 1.00 . A A . 37 TRP CZ2 1 1 13 6811 1 1 37 TRP CZ3 C 6.242 -2.785 -14.392 1.00 . A A . 37 TRP CZ3 1 1 13 6812 1 1 37 TRP H H 9.471 -2.073 -16.127 1.00 . A A . 37 TRP H 1 1 13 6813 1 1 37 TRP HA H 10.969 -3.683 -17.968 1.00 . A A . 37 TRP HA 1 1 13 6814 1 1 37 TRP HB2 H 8.775 -3.667 -19.257 1.00 . A A . 37 TRP HB2 1 1 13 6815 1 1 37 TRP HB3 H 8.714 -4.335 -17.628 1.00 . A A . 37 TRP HB3 1 1 13 6816 1 1 37 TRP HD1 H 7.563 -1.299 -19.664 1.00 . A A . 37 TRP HD1 1 1 13 6817 1 1 37 TRP HE1 H 5.710 -0.087 -18.351 1.00 . A A . 37 TRP HE1 1 1 13 6818 1 1 37 TRP HE3 H 7.812 -3.931 -15.287 1.00 . A A . 37 TRP HE3 1 1 13 6819 1 1 37 TRP HH2 H 4.664 -1.513 -13.711 1.00 . A A . 37 TRP HH2 1 1 13 6820 1 1 37 TRP HZ2 H 4.513 -0.227 -15.798 1.00 . A A . 37 TRP HZ2 1 1 13 6821 1 1 37 TRP HZ3 H 6.279 -3.328 -13.460 1.00 . A A . 37 TRP HZ3 1 1 13 6822 1 1 37 TRP N N 10.307 -2.298 -16.584 1.00 . A A . 37 TRP N 1 1 13 6823 1 1 37 TRP NE1 N 6.237 -0.830 -17.988 1.00 . A A . 37 TRP NE1 1 1 13 6824 1 1 37 TRP O O 10.683 -0.637 -18.631 1.00 . A A . 37 TRP O 1 1 13 6825 1 1 37 TRP OXT O 10.836 -2.227 -20.144 1.00 . A A . 37 TRP OXT 1 1 14 6826 1 1 1 LYS C C -6.622 -4.578 6.007 1.00 . A A . 1 LYS C 1 1 14 6827 1 1 1 LYS CA C -7.595 -5.359 6.881 1.00 . A A . 1 LYS CA 1 1 14 6828 1 1 1 LYS CB C -8.501 -6.213 5.995 1.00 . A A . 1 LYS CB 1 1 14 6829 1 1 1 LYS CD C -10.805 -6.192 5.000 1.00 . A A . 1 LYS CD 1 1 14 6830 1 1 1 LYS CE C -10.625 -7.286 3.960 1.00 . A A . 1 LYS CE 1 1 14 6831 1 1 1 LYS CG C -9.523 -5.404 5.215 1.00 . A A . 1 LYS CG 1 1 14 6832 1 1 1 LYS HA H -7.039 -6.003 7.545 1.00 . A A . 1 LYS HA 1 1 14 6833 1 1 1 LYS HB2 H -7.887 -6.748 5.286 1.00 . A A . 1 LYS HB2 1 1 14 6834 1 1 1 LYS HB3 H -9.026 -6.925 6.613 1.00 . A A . 1 LYS HB3 1 1 14 6835 1 1 1 LYS HD2 H -11.096 -6.644 5.936 1.00 . A A . 1 LYS HD2 1 1 14 6836 1 1 1 LYS HD3 H -11.578 -5.515 4.670 1.00 . A A . 1 LYS HD3 1 1 14 6837 1 1 1 LYS HE2 H -11.428 -7.214 3.239 1.00 . A A . 1 LYS HE2 1 1 14 6838 1 1 1 LYS HE3 H -9.679 -7.140 3.459 1.00 . A A . 1 LYS HE3 1 1 14 6839 1 1 1 LYS HG2 H -9.753 -4.504 5.766 1.00 . A A . 1 LYS HG2 1 1 14 6840 1 1 1 LYS HG3 H -9.103 -5.144 4.253 1.00 . A A . 1 LYS HG3 1 1 14 6841 1 1 1 LYS HZ1 H -10.574 -9.371 3.833 1.00 . A A . 1 LYS HZ1 1 1 14 6842 1 1 1 LYS HZ2 H -11.532 -8.785 5.098 1.00 . A A . 1 LYS HZ2 1 1 14 6843 1 1 1 LYS HZ3 H -9.846 -8.750 5.230 1.00 . A A . 1 LYS HZ3 1 1 14 6844 1 1 1 LYS N N -8.442 -4.446 7.698 1.00 . A A . 1 LYS N 1 1 14 6845 1 1 1 LYS NZ N -10.646 -8.643 4.572 1.00 . A A . 1 LYS NZ 1 1 14 6846 1 1 1 LYS O O -7.031 -3.921 5.052 1.00 . A A . 1 LYS O 1 1 14 6847 1 1 2 TYR C C -3.927 -4.761 4.335 1.00 . A A . 2 TYR C 1 1 14 6848 1 1 2 TYR CA C -4.322 -3.944 5.558 1.00 . A A . 2 TYR CA 1 1 14 6849 1 1 2 TYR CB C -3.082 -3.665 6.399 1.00 . A A . 2 TYR CB 1 1 14 6850 1 1 2 TYR CD1 C -3.401 -1.284 7.046 1.00 . A A . 2 TYR CD1 1 1 14 6851 1 1 2 TYR CD2 C -1.568 -1.801 5.634 1.00 . A A . 2 TYR CD2 1 1 14 6852 1 1 2 TYR CE1 C -3.045 0.049 7.029 1.00 . A A . 2 TYR CE1 1 1 14 6853 1 1 2 TYR CE2 C -1.208 -0.475 5.603 1.00 . A A . 2 TYR CE2 1 1 14 6854 1 1 2 TYR CG C -2.672 -2.223 6.357 1.00 . A A . 2 TYR CG 1 1 14 6855 1 1 2 TYR CZ C -1.949 0.449 6.303 1.00 . A A . 2 TYR CZ 1 1 14 6856 1 1 2 TYR H H -5.058 -5.190 7.103 1.00 . A A . 2 TYR H 1 1 14 6857 1 1 2 TYR HA H -4.746 -2.998 5.245 1.00 . A A . 2 TYR HA 1 1 14 6858 1 1 2 TYR HB2 H -3.286 -3.919 7.427 1.00 . A A . 2 TYR HB2 1 1 14 6859 1 1 2 TYR HB3 H -2.258 -4.258 6.035 1.00 . A A . 2 TYR HB3 1 1 14 6860 1 1 2 TYR HD1 H -4.266 -1.609 7.596 1.00 . A A . 2 TYR HD1 1 1 14 6861 1 1 2 TYR HD2 H -0.989 -2.521 5.085 1.00 . A A . 2 TYR HD2 1 1 14 6862 1 1 2 TYR HE1 H -3.628 0.770 7.573 1.00 . A A . 2 TYR HE1 1 1 14 6863 1 1 2 TYR HE2 H -0.350 -0.168 5.026 1.00 . A A . 2 TYR HE2 1 1 14 6864 1 1 2 TYR HH H -2.361 2.325 6.394 1.00 . A A . 2 TYR HH 1 1 14 6865 1 1 2 TYR N N -5.333 -4.652 6.331 1.00 . A A . 2 TYR N 1 1 14 6866 1 1 2 TYR O O -3.887 -5.989 4.391 1.00 . A A . 2 TYR O 1 1 14 6867 1 1 2 TYR OH O -1.585 1.775 6.278 1.00 . A A . 2 TYR OH 1 1 14 6868 1 1 3 TYR C C -1.775 -4.543 1.692 1.00 . A A . 3 TYR C 1 1 14 6869 1 1 3 TYR CA C -3.250 -4.760 2.001 1.00 . A A . 3 TYR CA 1 1 14 6870 1 1 3 TYR CB C -4.106 -4.255 0.835 1.00 . A A . 3 TYR CB 1 1 14 6871 1 1 3 TYR CD1 C -5.404 -6.291 0.114 1.00 . A A . 3 TYR CD1 1 1 14 6872 1 1 3 TYR CD2 C -6.612 -4.469 1.065 1.00 . A A . 3 TYR CD2 1 1 14 6873 1 1 3 TYR CE1 C -6.581 -6.998 -0.035 1.00 . A A . 3 TYR CE1 1 1 14 6874 1 1 3 TYR CE2 C -7.792 -5.172 0.920 1.00 . A A . 3 TYR CE2 1 1 14 6875 1 1 3 TYR CG C -5.399 -5.018 0.665 1.00 . A A . 3 TYR CG 1 1 14 6876 1 1 3 TYR CZ C -7.772 -6.436 0.370 1.00 . A A . 3 TYR CZ 1 1 14 6877 1 1 3 TYR H H -3.677 -3.096 3.253 1.00 . A A . 3 TYR H 1 1 14 6878 1 1 3 TYR HA H -3.431 -5.821 2.132 1.00 . A A . 3 TYR HA 1 1 14 6879 1 1 3 TYR HB2 H -4.353 -3.218 1.004 1.00 . A A . 3 TYR HB2 1 1 14 6880 1 1 3 TYR HB3 H -3.545 -4.343 -0.086 1.00 . A A . 3 TYR HB3 1 1 14 6881 1 1 3 TYR HD1 H -4.470 -6.728 -0.201 1.00 . A A . 3 TYR HD1 1 1 14 6882 1 1 3 TYR HD2 H -6.625 -3.482 1.501 1.00 . A A . 3 TYR HD2 1 1 14 6883 1 1 3 TYR HE1 H -6.564 -7.987 -0.465 1.00 . A A . 3 TYR HE1 1 1 14 6884 1 1 3 TYR HE2 H -8.726 -4.729 1.236 1.00 . A A . 3 TYR HE2 1 1 14 6885 1 1 3 TYR HH H -9.653 -6.529 -0.006 1.00 . A A . 3 TYR HH 1 1 14 6886 1 1 3 TYR N N -3.635 -4.079 3.236 1.00 . A A . 3 TYR N 1 1 14 6887 1 1 3 TYR O O -1.387 -4.419 0.531 1.00 . A A . 3 TYR O 1 1 14 6888 1 1 3 TYR OH O -8.945 -7.137 0.222 1.00 . A A . 3 TYR OH 1 1 14 6889 1 1 4 GLY C C 0.770 -3.117 1.579 1.00 . A A . 4 GLY C 1 1 14 6890 1 1 4 GLY CA C 0.475 -4.255 2.547 1.00 . A A . 4 GLY CA 1 1 14 6891 1 1 4 GLY H H -1.314 -4.563 3.645 1.00 . A A . 4 GLY H 1 1 14 6892 1 1 4 GLY HA2 H 0.921 -4.025 3.501 1.00 . A A . 4 GLY HA2 1 1 14 6893 1 1 4 GLY HA3 H 0.921 -5.165 2.165 1.00 . A A . 4 GLY HA3 1 1 14 6894 1 1 4 GLY N N -0.951 -4.474 2.738 1.00 . A A . 4 GLY N 1 1 14 6895 1 1 4 GLY O O 1.879 -3.008 1.058 1.00 . A A . 4 GLY O 1 1 14 6896 1 1 5 ASN C C -0.936 0.023 0.935 1.00 . A A . 5 ASN C 1 1 14 6897 1 1 5 ASN CA C -0.090 -1.138 0.434 1.00 . A A . 5 ASN CA 1 1 14 6898 1 1 5 ASN CB C -0.529 -1.528 -0.981 1.00 . A A . 5 ASN CB 1 1 14 6899 1 1 5 ASN CG C 0.583 -2.181 -1.774 1.00 . A A . 5 ASN CG 1 1 14 6900 1 1 5 ASN H H -1.091 -2.411 1.784 1.00 . A A . 5 ASN H 1 1 14 6901 1 1 5 ASN HA H 0.951 -0.840 0.419 1.00 . A A . 5 ASN HA 1 1 14 6902 1 1 5 ASN HB2 H -1.357 -2.221 -0.918 1.00 . A A . 5 ASN HB2 1 1 14 6903 1 1 5 ASN HB3 H -0.851 -0.640 -1.506 1.00 . A A . 5 ASN HB3 1 1 14 6904 1 1 5 ASN HD21 H -0.544 -3.790 -2.082 1.00 . A A . 5 ASN HD21 1 1 14 6905 1 1 5 ASN HD22 H 1.038 -3.839 -2.775 1.00 . A A . 5 ASN HD22 1 1 14 6906 1 1 5 ASN N N -0.231 -2.272 1.338 1.00 . A A . 5 ASN N 1 1 14 6907 1 1 5 ASN ND2 N 0.334 -3.392 -2.260 1.00 . A A . 5 ASN ND2 1 1 14 6908 1 1 5 ASN O O -1.720 0.601 0.179 1.00 . A A . 5 ASN O 1 1 14 6909 1 1 5 ASN OD1 O 1.655 -1.604 -1.951 1.00 . A A . 5 ASN OD1 1 1 14 6910 1 1 6 GLY C C -3.015 1.423 2.309 1.00 . A A . 6 GLY C 1 1 14 6911 1 1 6 GLY CA C -1.582 1.414 2.811 1.00 . A A . 6 GLY CA 1 1 14 6912 1 1 6 GLY H H -0.177 -0.172 2.779 1.00 . A A . 6 GLY H 1 1 14 6913 1 1 6 GLY HA2 H -1.586 1.295 3.883 1.00 . A A . 6 GLY HA2 1 1 14 6914 1 1 6 GLY HA3 H -1.122 2.357 2.569 1.00 . A A . 6 GLY HA3 1 1 14 6915 1 1 6 GLY N N -0.798 0.341 2.221 1.00 . A A . 6 GLY N 1 1 14 6916 1 1 6 GLY O O -3.495 2.437 1.819 1.00 . A A . 6 GLY O 1 1 14 6917 1 1 7 VAL C C -5.854 -0.770 2.874 1.00 . A A . 7 VAL C 1 1 14 6918 1 1 7 VAL CA C -5.073 0.165 1.970 1.00 . A A . 7 VAL CA 1 1 14 6919 1 1 7 VAL CB C -5.176 -0.360 0.527 1.00 . A A . 7 VAL CB 1 1 14 6920 1 1 7 VAL CG1 C -6.604 -0.759 0.224 1.00 . A A . 7 VAL CG1 1 1 14 6921 1 1 7 VAL CG2 C -4.723 0.690 -0.464 1.00 . A A . 7 VAL CG2 1 1 14 6922 1 1 7 VAL H H -3.247 -0.496 2.813 1.00 . A A . 7 VAL H 1 1 14 6923 1 1 7 VAL HA H -5.530 1.142 2.003 1.00 . A A . 7 VAL HA 1 1 14 6924 1 1 7 VAL HB H -4.545 -1.230 0.426 1.00 . A A . 7 VAL HB 1 1 14 6925 1 1 7 VAL HG11 H -7.266 -0.026 0.662 1.00 . A A . 7 VAL HG11 1 1 14 6926 1 1 7 VAL HG12 H -6.802 -1.730 0.648 1.00 . A A . 7 VAL HG12 1 1 14 6927 1 1 7 VAL HG13 H -6.752 -0.790 -0.845 1.00 . A A . 7 VAL HG13 1 1 14 6928 1 1 7 VAL HG21 H -4.203 1.474 0.058 1.00 . A A . 7 VAL HG21 1 1 14 6929 1 1 7 VAL HG22 H -5.591 1.101 -0.964 1.00 . A A . 7 VAL HG22 1 1 14 6930 1 1 7 VAL HG23 H -4.068 0.240 -1.192 1.00 . A A . 7 VAL HG23 1 1 14 6931 1 1 7 VAL N N -3.690 0.285 2.421 1.00 . A A . 7 VAL N 1 1 14 6932 1 1 7 VAL O O -5.670 -1.986 2.832 1.00 . A A . 7 VAL O 1 1 14 6933 1 1 8 HIS C C -9.026 -0.881 4.200 1.00 . A A . 8 HIS C 1 1 14 6934 1 1 8 HIS CA C -7.558 -0.990 4.579 1.00 . A A . 8 HIS CA 1 1 14 6935 1 1 8 HIS CB C -7.367 -0.563 6.041 1.00 . A A . 8 HIS CB 1 1 14 6936 1 1 8 HIS CD2 C -5.304 0.952 5.680 1.00 . A A . 8 HIS CD2 1 1 14 6937 1 1 8 HIS CE1 C -5.897 2.616 6.977 1.00 . A A . 8 HIS CE1 1 1 14 6938 1 1 8 HIS CG C -6.504 0.642 6.217 1.00 . A A . 8 HIS CG 1 1 14 6939 1 1 8 HIS H H -6.847 0.776 3.659 1.00 . A A . 8 HIS H 1 1 14 6940 1 1 8 HIS HA H -7.250 -2.016 4.471 1.00 . A A . 8 HIS HA 1 1 14 6941 1 1 8 HIS HB2 H -8.331 -0.341 6.474 1.00 . A A . 8 HIS HB2 1 1 14 6942 1 1 8 HIS HB3 H -6.916 -1.378 6.589 1.00 . A A . 8 HIS HB3 1 1 14 6943 1 1 8 HIS HD1 H -7.669 1.778 7.555 1.00 . A A . 8 HIS HD1 1 1 14 6944 1 1 8 HIS HD2 H -4.728 0.329 5.000 1.00 . A A . 8 HIS HD2 1 1 14 6945 1 1 8 HIS HE1 H -5.900 3.558 7.504 1.00 . A A . 8 HIS HE1 1 1 14 6946 1 1 8 HIS HE2 H -4.208 2.734 5.827 1.00 . A A . 8 HIS HE2 1 1 14 6947 1 1 8 HIS N N -6.737 -0.198 3.678 1.00 . A A . 8 HIS N 1 1 14 6948 1 1 8 HIS ND1 N -6.847 1.703 7.026 1.00 . A A . 8 HIS ND1 1 1 14 6949 1 1 8 HIS NE2 N -4.945 2.185 6.167 1.00 . A A . 8 HIS NE2 1 1 14 6950 1 1 8 HIS O O -9.530 0.210 3.935 1.00 . A A . 8 HIS O 1 1 14 6951 1 1 9 CYS C C -11.926 -2.297 5.114 1.00 . A A . 9 CYS C 1 1 14 6952 1 1 9 CYS CA C -11.121 -2.041 3.853 1.00 . A A . 9 CYS CA 1 1 14 6953 1 1 9 CYS CB C -11.402 -3.095 2.787 1.00 . A A . 9 CYS CB 1 1 14 6954 1 1 9 CYS H H -9.254 -2.851 4.407 1.00 . A A . 9 CYS H 1 1 14 6955 1 1 9 CYS HA H -11.384 -1.073 3.474 1.00 . A A . 9 CYS HA 1 1 14 6956 1 1 9 CYS HB2 H -10.462 -3.421 2.370 1.00 . A A . 9 CYS HB2 1 1 14 6957 1 1 9 CYS HB3 H -11.902 -3.936 3.241 1.00 . A A . 9 CYS HB3 1 1 14 6958 1 1 9 CYS N N -9.709 -2.015 4.183 1.00 . A A . 9 CYS N 1 1 14 6959 1 1 9 CYS O O -12.403 -3.405 5.360 1.00 . A A . 9 CYS O 1 1 14 6960 1 1 9 CYS SG S -12.436 -2.505 1.409 1.00 . A A . 9 CYS SG 1 1 14 6961 1 1 10 THR C C -14.178 -0.836 7.065 1.00 . A A . 10 THR C 1 1 14 6962 1 1 10 THR CA C -12.743 -1.313 7.192 1.00 . A A . 10 THR CA 1 1 14 6963 1 1 10 THR CB C -12.010 -0.469 8.241 1.00 . A A . 10 THR CB 1 1 14 6964 1 1 10 THR CG2 C -10.499 -0.562 8.160 1.00 . A A . 10 THR CG2 1 1 14 6965 1 1 10 THR H H -11.609 -0.405 5.656 1.00 . A A . 10 THR H 1 1 14 6966 1 1 10 THR HA H -12.758 -2.337 7.514 1.00 . A A . 10 THR HA 1 1 14 6967 1 1 10 THR HB H -12.309 -0.799 9.225 1.00 . A A . 10 THR HB 1 1 14 6968 1 1 10 THR HG1 H -12.314 1.147 7.180 1.00 . A A . 10 THR HG1 1 1 14 6969 1 1 10 THR HG21 H -10.213 -1.561 7.864 1.00 . A A . 10 THR HG21 1 1 14 6970 1 1 10 THR HG22 H -10.072 -0.337 9.126 1.00 . A A . 10 THR HG22 1 1 14 6971 1 1 10 THR HG23 H -10.133 0.148 7.431 1.00 . A A . 10 THR HG23 1 1 14 6972 1 1 10 THR N N -12.037 -1.248 5.920 1.00 . A A . 10 THR N 1 1 14 6973 1 1 10 THR O O -14.456 0.163 6.404 1.00 . A A . 10 THR O 1 1 14 6974 1 1 10 THR OG1 O -12.353 0.897 8.106 1.00 . A A . 10 THR OG1 1 1 14 6975 1 1 11 LYS C C -17.194 -1.896 6.500 1.00 . A A . 11 LYS C 1 1 14 6976 1 1 11 LYS CA C -16.508 -1.289 7.720 1.00 . A A . 11 LYS CA 1 1 14 6977 1 1 11 LYS CB C -16.778 0.220 7.807 1.00 . A A . 11 LYS CB 1 1 14 6978 1 1 11 LYS CD C -16.889 2.048 9.530 1.00 . A A . 11 LYS CD 1 1 14 6979 1 1 11 LYS CE C -16.122 3.359 9.481 1.00 . A A . 11 LYS CE 1 1 14 6980 1 1 11 LYS CG C -16.068 0.900 8.961 1.00 . A A . 11 LYS CG 1 1 14 6981 1 1 11 LYS H H -14.759 -2.362 8.209 1.00 . A A . 11 LYS H 1 1 14 6982 1 1 11 LYS HA H -16.920 -1.759 8.600 1.00 . A A . 11 LYS HA 1 1 14 6983 1 1 11 LYS HB2 H -16.456 0.691 6.894 1.00 . A A . 11 LYS HB2 1 1 14 6984 1 1 11 LYS HB3 H -17.838 0.374 7.927 1.00 . A A . 11 LYS HB3 1 1 14 6985 1 1 11 LYS HD2 H -17.795 2.153 8.953 1.00 . A A . 11 LYS HD2 1 1 14 6986 1 1 11 LYS HD3 H -17.136 1.825 10.557 1.00 . A A . 11 LYS HD3 1 1 14 6987 1 1 11 LYS HE2 H -15.447 3.399 10.323 1.00 . A A . 11 LYS HE2 1 1 14 6988 1 1 11 LYS HE3 H -15.552 3.393 8.563 1.00 . A A . 11 LYS HE3 1 1 14 6989 1 1 11 LYS HG2 H -15.894 0.175 9.739 1.00 . A A . 11 LYS HG2 1 1 14 6990 1 1 11 LYS HG3 H -15.126 1.284 8.604 1.00 . A A . 11 LYS HG3 1 1 14 6991 1 1 11 LYS HZ1 H -17.666 4.534 8.709 1.00 . A A . 11 LYS HZ1 1 1 14 6992 1 1 11 LYS HZ2 H -16.477 5.416 9.525 1.00 . A A . 11 LYS HZ2 1 1 14 6993 1 1 11 LYS HZ3 H -17.604 4.507 10.399 1.00 . A A . 11 LYS HZ3 1 1 14 6994 1 1 11 LYS N N -15.077 -1.580 7.712 1.00 . A A . 11 LYS N 1 1 14 6995 1 1 11 LYS NZ N -17.030 4.536 9.532 1.00 . A A . 11 LYS NZ 1 1 14 6996 1 1 11 LYS O O -17.691 -3.021 6.552 1.00 . A A . 11 LYS O 1 1 14 6997 1 1 12 SER C C -17.193 -0.960 2.952 1.00 . A A . 12 SER C 1 1 14 6998 1 1 12 SER CA C -17.844 -1.609 4.171 1.00 . A A . 12 SER CA 1 1 14 6999 1 1 12 SER CB C -19.346 -1.322 4.181 1.00 . A A . 12 SER CB 1 1 14 7000 1 1 12 SER H H -16.804 -0.257 5.431 1.00 . A A . 12 SER H 1 1 14 7001 1 1 12 SER HA H -17.696 -2.673 4.114 1.00 . A A . 12 SER HA 1 1 14 7002 1 1 12 SER HB2 H -19.611 -0.833 5.103 1.00 . A A . 12 SER HB2 1 1 14 7003 1 1 12 SER HB3 H -19.592 -0.684 3.349 1.00 . A A . 12 SER HB3 1 1 14 7004 1 1 12 SER HG H -19.700 -3.200 4.625 1.00 . A A . 12 SER HG 1 1 14 7005 1 1 12 SER N N -17.220 -1.143 5.407 1.00 . A A . 12 SER N 1 1 14 7006 1 1 12 SER O O -17.795 -0.891 1.880 1.00 . A A . 12 SER O 1 1 14 7007 1 1 12 SER OG O -20.095 -2.522 4.072 1.00 . A A . 12 SER OG 1 1 14 7008 1 1 13 GLY C C -13.765 0.192 2.252 1.00 . A A . 13 GLY C 1 1 14 7009 1 1 13 GLY CA C -15.259 0.155 2.027 1.00 . A A . 13 GLY CA 1 1 14 7010 1 1 13 GLY H H -15.530 -0.563 3.998 1.00 . A A . 13 GLY H 1 1 14 7011 1 1 13 GLY HA2 H -15.464 -0.388 1.116 1.00 . A A . 13 GLY HA2 1 1 14 7012 1 1 13 GLY HA3 H -15.622 1.167 1.921 1.00 . A A . 13 GLY HA3 1 1 14 7013 1 1 13 GLY N N -15.963 -0.483 3.122 1.00 . A A . 13 GLY N 1 1 14 7014 1 1 13 GLY O O -13.294 0.030 3.379 1.00 . A A . 13 GLY O 1 1 14 7015 1 1 14 CYS C C -11.091 1.895 1.428 1.00 . A A . 14 CYS C 1 1 14 7016 1 1 14 CYS CA C -11.563 0.465 1.278 1.00 . A A . 14 CYS CA 1 1 14 7017 1 1 14 CYS CB C -10.898 -0.190 0.074 1.00 . A A . 14 CYS CB 1 1 14 7018 1 1 14 CYS H H -13.439 0.526 0.309 1.00 . A A . 14 CYS H 1 1 14 7019 1 1 14 CYS HA H -11.267 -0.062 2.157 1.00 . A A . 14 CYS HA 1 1 14 7020 1 1 14 CYS HB2 H -11.304 0.236 -0.828 1.00 . A A . 14 CYS HB2 1 1 14 7021 1 1 14 CYS HB3 H -9.841 0.019 0.121 1.00 . A A . 14 CYS HB3 1 1 14 7022 1 1 14 CYS N N -13.012 0.404 1.181 1.00 . A A . 14 CYS N 1 1 14 7023 1 1 14 CYS O O -11.619 2.816 0.802 1.00 . A A . 14 CYS O 1 1 14 7024 1 1 14 CYS SG S -11.092 -2.008 -0.035 1.00 . A A . 14 CYS SG 1 1 14 7025 1 1 15 SER C C -7.997 3.310 2.463 1.00 . A A . 15 SER C 1 1 14 7026 1 1 15 SER CA C -9.512 3.376 2.524 1.00 . A A . 15 SER CA 1 1 14 7027 1 1 15 SER CB C -9.954 3.892 3.894 1.00 . A A . 15 SER CB 1 1 14 7028 1 1 15 SER H H -9.709 1.280 2.723 1.00 . A A . 15 SER H 1 1 14 7029 1 1 15 SER HA H -9.864 4.052 1.761 1.00 . A A . 15 SER HA 1 1 14 7030 1 1 15 SER HB2 H -9.360 4.754 4.158 1.00 . A A . 15 SER HB2 1 1 14 7031 1 1 15 SER HB3 H -10.997 4.170 3.852 1.00 . A A . 15 SER HB3 1 1 14 7032 1 1 15 SER HG H -10.308 3.126 5.663 1.00 . A A . 15 SER HG 1 1 14 7033 1 1 15 SER N N -10.083 2.065 2.265 1.00 . A A . 15 SER N 1 1 14 7034 1 1 15 SER O O -7.416 2.224 2.442 1.00 . A A . 15 SER O 1 1 14 7035 1 1 15 SER OG O -9.785 2.898 4.891 1.00 . A A . 15 SER OG 1 1 14 7036 1 1 16 VAL C C -5.342 5.565 3.320 1.00 . A A . 16 VAL C 1 1 14 7037 1 1 16 VAL CA C -5.911 4.529 2.357 1.00 . A A . 16 VAL CA 1 1 14 7038 1 1 16 VAL CB C -5.414 4.863 0.940 1.00 . A A . 16 VAL CB 1 1 14 7039 1 1 16 VAL CG1 C -3.902 4.916 0.912 1.00 . A A . 16 VAL CG1 1 1 14 7040 1 1 16 VAL CG2 C -5.892 3.846 -0.065 1.00 . A A . 16 VAL CG2 1 1 14 7041 1 1 16 VAL H H -7.876 5.305 2.431 1.00 . A A . 16 VAL H 1 1 14 7042 1 1 16 VAL HA H -5.528 3.556 2.625 1.00 . A A . 16 VAL HA 1 1 14 7043 1 1 16 VAL HB H -5.804 5.832 0.660 1.00 . A A . 16 VAL HB 1 1 14 7044 1 1 16 VAL HG11 H -3.512 4.424 1.789 1.00 . A A . 16 VAL HG11 1 1 14 7045 1 1 16 VAL HG12 H -3.582 5.938 0.901 1.00 . A A . 16 VAL HG12 1 1 14 7046 1 1 16 VAL HG13 H -3.540 4.411 0.028 1.00 . A A . 16 VAL HG13 1 1 14 7047 1 1 16 VAL HG21 H -5.176 3.795 -0.876 1.00 . A A . 16 VAL HG21 1 1 14 7048 1 1 16 VAL HG22 H -6.857 4.140 -0.448 1.00 . A A . 16 VAL HG22 1 1 14 7049 1 1 16 VAL HG23 H -5.962 2.884 0.417 1.00 . A A . 16 VAL HG23 1 1 14 7050 1 1 16 VAL N N -7.360 4.472 2.421 1.00 . A A . 16 VAL N 1 1 14 7051 1 1 16 VAL O O -5.638 6.755 3.214 1.00 . A A . 16 VAL O 1 1 14 7052 1 1 17 ASN C C -2.952 6.974 4.454 1.00 . A A . 17 ASN C 1 1 14 7053 1 1 17 ASN CA C -3.857 5.997 5.199 1.00 . A A . 17 ASN CA 1 1 14 7054 1 1 17 ASN CB C -3.033 5.183 6.199 1.00 . A A . 17 ASN CB 1 1 14 7055 1 1 17 ASN CG C -3.713 5.047 7.548 1.00 . A A . 17 ASN CG 1 1 14 7056 1 1 17 ASN H H -4.289 4.152 4.261 1.00 . A A . 17 ASN H 1 1 14 7057 1 1 17 ASN HA H -4.623 6.547 5.725 1.00 . A A . 17 ASN HA 1 1 14 7058 1 1 17 ASN HB2 H -2.875 4.193 5.799 1.00 . A A . 17 ASN HB2 1 1 14 7059 1 1 17 ASN HB3 H -2.075 5.664 6.344 1.00 . A A . 17 ASN HB3 1 1 14 7060 1 1 17 ASN HD21 H -2.547 3.502 8.002 1.00 . A A . 17 ASN HD21 1 1 14 7061 1 1 17 ASN HD22 H -3.695 3.956 9.212 1.00 . A A . 17 ASN HD22 1 1 14 7062 1 1 17 ASN N N -4.501 5.107 4.242 1.00 . A A . 17 ASN N 1 1 14 7063 1 1 17 ASN ND2 N -3.274 4.070 8.334 1.00 . A A . 17 ASN ND2 1 1 14 7064 1 1 17 ASN O O -2.647 8.063 4.939 1.00 . A A . 17 ASN O 1 1 14 7065 1 1 17 ASN OD1 O -4.618 5.813 7.882 1.00 . A A . 17 ASN OD1 1 1 14 7066 1 1 18 TRP C C -0.276 7.486 3.007 1.00 . A A . 18 TRP C 1 1 14 7067 1 1 18 TRP CA C -1.658 7.339 2.407 1.00 . A A . 18 TRP CA 1 1 14 7068 1 1 18 TRP CB C -2.312 8.681 2.089 1.00 . A A . 18 TRP CB 1 1 14 7069 1 1 18 TRP CD1 C -4.769 8.656 1.375 1.00 . A A . 18 TRP CD1 1 1 14 7070 1 1 18 TRP CD2 C -3.335 8.067 -0.228 1.00 . A A . 18 TRP CD2 1 1 14 7071 1 1 18 TRP CE2 C -4.632 8.000 -0.751 1.00 . A A . 18 TRP CE2 1 1 14 7072 1 1 18 TRP CE3 C -2.260 7.738 -1.045 1.00 . A A . 18 TRP CE3 1 1 14 7073 1 1 18 TRP CG C -3.441 8.501 1.126 1.00 . A A . 18 TRP CG 1 1 14 7074 1 1 18 TRP CH2 C -3.815 7.293 -2.843 1.00 . A A . 18 TRP CH2 1 1 14 7075 1 1 18 TRP CZ2 C -4.886 7.614 -2.062 1.00 . A A . 18 TRP CZ2 1 1 14 7076 1 1 18 TRP CZ3 C -2.509 7.350 -2.345 1.00 . A A . 18 TRP CZ3 1 1 14 7077 1 1 18 TRP H H -2.811 5.673 2.957 1.00 . A A . 18 TRP H 1 1 14 7078 1 1 18 TRP HA H -1.543 6.789 1.482 1.00 . A A . 18 TRP HA 1 1 14 7079 1 1 18 TRP HB2 H -2.702 9.121 2.995 1.00 . A A . 18 TRP HB2 1 1 14 7080 1 1 18 TRP HB3 H -1.585 9.345 1.643 1.00 . A A . 18 TRP HB3 1 1 14 7081 1 1 18 TRP HD1 H -5.176 8.963 2.322 1.00 . A A . 18 TRP HD1 1 1 14 7082 1 1 18 TRP HE1 H -6.471 8.408 0.171 1.00 . A A . 18 TRP HE1 1 1 14 7083 1 1 18 TRP HE3 H -1.249 7.767 -0.668 1.00 . A A . 18 TRP HE3 1 1 14 7084 1 1 18 TRP HH2 H -3.967 6.978 -3.861 1.00 . A A . 18 TRP HH2 1 1 14 7085 1 1 18 TRP HZ2 H -5.889 7.565 -2.458 1.00 . A A . 18 TRP HZ2 1 1 14 7086 1 1 18 TRP HZ3 H -1.689 7.087 -2.995 1.00 . A A . 18 TRP HZ3 1 1 14 7087 1 1 18 TRP N N -2.526 6.550 3.267 1.00 . A A . 18 TRP N 1 1 14 7088 1 1 18 TRP NE1 N -5.495 8.365 0.247 1.00 . A A . 18 TRP NE1 1 1 14 7089 1 1 18 TRP O O 0.693 6.997 2.436 1.00 . A A . 18 TRP O 1 1 14 7090 1 1 19 GLY C C 1.775 6.879 4.970 1.00 . A A . 19 GLY C 1 1 14 7091 1 1 19 GLY CA C 1.134 8.243 4.781 1.00 . A A . 19 GLY CA 1 1 14 7092 1 1 19 GLY H H -0.968 8.472 4.607 1.00 . A A . 19 GLY H 1 1 14 7093 1 1 19 GLY HA2 H 1.761 8.843 4.135 1.00 . A A . 19 GLY HA2 1 1 14 7094 1 1 19 GLY HA3 H 1.033 8.728 5.738 1.00 . A A . 19 GLY HA3 1 1 14 7095 1 1 19 GLY N N -0.170 8.117 4.164 1.00 . A A . 19 GLY N 1 1 14 7096 1 1 19 GLY O O 2.996 6.738 4.913 1.00 . A A . 19 GLY O 1 1 14 7097 1 1 20 GLU C C 1.800 3.930 3.972 1.00 . A A . 20 GLU C 1 1 14 7098 1 1 20 GLU CA C 1.388 4.490 5.326 1.00 . A A . 20 GLU CA 1 1 14 7099 1 1 20 GLU CB C 0.288 3.618 5.942 1.00 . A A . 20 GLU CB 1 1 14 7100 1 1 20 GLU CD C 1.459 1.915 7.395 1.00 . A A . 20 GLU CD 1 1 14 7101 1 1 20 GLU CG C 0.598 3.165 7.359 1.00 . A A . 20 GLU CG 1 1 14 7102 1 1 20 GLU H H -0.037 6.046 5.177 1.00 . A A . 20 GLU H 1 1 14 7103 1 1 20 GLU HA H 2.246 4.498 5.983 1.00 . A A . 20 GLU HA 1 1 14 7104 1 1 20 GLU HB2 H -0.638 4.182 5.961 1.00 . A A . 20 GLU HB2 1 1 14 7105 1 1 20 GLU HB3 H 0.149 2.734 5.329 1.00 . A A . 20 GLU HB3 1 1 14 7106 1 1 20 GLU HG2 H 1.122 3.957 7.870 1.00 . A A . 20 GLU HG2 1 1 14 7107 1 1 20 GLU HG3 H -0.331 2.959 7.871 1.00 . A A . 20 GLU HG3 1 1 14 7108 1 1 20 GLU N N 0.927 5.865 5.165 1.00 . A A . 20 GLU N 1 1 14 7109 1 1 20 GLU O O 2.854 3.307 3.833 1.00 . A A . 20 GLU O 1 1 14 7110 1 1 20 GLU OE1 O 1.762 1.369 6.312 1.00 . A A . 20 GLU OE1 1 1 14 7111 1 1 20 GLU OE2 O 1.832 1.483 8.507 1.00 . A A . 20 GLU OE2 1 1 14 7112 1 1 21 ALA C C 2.407 4.533 1.047 1.00 . A A . 21 ALA C 1 1 14 7113 1 1 21 ALA CA C 1.239 3.749 1.613 1.00 . A A . 21 ALA CA 1 1 14 7114 1 1 21 ALA CB C 0.021 3.978 0.751 1.00 . A A . 21 ALA CB 1 1 14 7115 1 1 21 ALA H H 0.152 4.713 3.145 1.00 . A A . 21 ALA H 1 1 14 7116 1 1 21 ALA HA H 1.472 2.693 1.625 1.00 . A A . 21 ALA HA 1 1 14 7117 1 1 21 ALA HB1 H 0.147 3.469 -0.191 1.00 . A A . 21 ALA HB1 1 1 14 7118 1 1 21 ALA HB2 H -0.087 5.039 0.578 1.00 . A A . 21 ALA HB2 1 1 14 7119 1 1 21 ALA HB3 H -0.855 3.605 1.253 1.00 . A A . 21 ALA HB3 1 1 14 7120 1 1 21 ALA N N 0.967 4.191 2.969 1.00 . A A . 21 ALA N 1 1 14 7121 1 1 21 ALA O O 3.290 3.983 0.392 1.00 . A A . 21 ALA O 1 1 14 7122 1 1 22 PHE C C 4.789 6.232 1.447 1.00 . A A . 22 PHE C 1 1 14 7123 1 1 22 PHE CA C 3.465 6.718 0.899 1.00 . A A . 22 PHE CA 1 1 14 7124 1 1 22 PHE CB C 3.177 8.126 1.410 1.00 . A A . 22 PHE CB 1 1 14 7125 1 1 22 PHE CD1 C 4.669 9.365 -0.162 1.00 . A A . 22 PHE CD1 1 1 14 7126 1 1 22 PHE CD2 C 4.890 9.770 2.169 1.00 . A A . 22 PHE CD2 1 1 14 7127 1 1 22 PHE CE1 C 5.669 10.275 -0.421 1.00 . A A . 22 PHE CE1 1 1 14 7128 1 1 22 PHE CE2 C 5.895 10.682 1.920 1.00 . A A . 22 PHE CE2 1 1 14 7129 1 1 22 PHE CG C 4.270 9.106 1.132 1.00 . A A . 22 PHE CG 1 1 14 7130 1 1 22 PHE CZ C 6.284 10.936 0.620 1.00 . A A . 22 PHE CZ 1 1 14 7131 1 1 22 PHE H H 1.684 6.187 1.892 1.00 . A A . 22 PHE H 1 1 14 7132 1 1 22 PHE HA H 3.493 6.717 -0.182 1.00 . A A . 22 PHE HA 1 1 14 7133 1 1 22 PHE HB2 H 2.275 8.494 0.946 1.00 . A A . 22 PHE HB2 1 1 14 7134 1 1 22 PHE HB3 H 3.032 8.086 2.482 1.00 . A A . 22 PHE HB3 1 1 14 7135 1 1 22 PHE HD1 H 4.192 8.839 -0.977 1.00 . A A . 22 PHE HD1 1 1 14 7136 1 1 22 PHE HD2 H 4.586 9.557 3.185 1.00 . A A . 22 PHE HD2 1 1 14 7137 1 1 22 PHE HE1 H 5.973 10.468 -1.440 1.00 . A A . 22 PHE HE1 1 1 14 7138 1 1 22 PHE HE2 H 6.376 11.199 2.739 1.00 . A A . 22 PHE HE2 1 1 14 7139 1 1 22 PHE HZ H 7.069 11.649 0.418 1.00 . A A . 22 PHE HZ 1 1 14 7140 1 1 22 PHE N N 2.412 5.824 1.342 1.00 . A A . 22 PHE N 1 1 14 7141 1 1 22 PHE O O 5.811 6.254 0.768 1.00 . A A . 22 PHE O 1 1 14 7142 1 1 23 SER C C 6.309 3.917 2.736 1.00 . A A . 23 SER C 1 1 14 7143 1 1 23 SER CA C 5.925 5.259 3.356 1.00 . A A . 23 SER CA 1 1 14 7144 1 1 23 SER CB C 5.674 5.101 4.858 1.00 . A A . 23 SER CB 1 1 14 7145 1 1 23 SER H H 3.882 5.802 3.165 1.00 . A A . 23 SER H 1 1 14 7146 1 1 23 SER HA H 6.737 5.958 3.198 1.00 . A A . 23 SER HA 1 1 14 7147 1 1 23 SER HB2 H 4.826 4.449 5.015 1.00 . A A . 23 SER HB2 1 1 14 7148 1 1 23 SER HB3 H 6.548 4.671 5.324 1.00 . A A . 23 SER HB3 1 1 14 7149 1 1 23 SER HG H 5.906 6.430 6.277 1.00 . A A . 23 SER HG 1 1 14 7150 1 1 23 SER N N 4.743 5.787 2.690 1.00 . A A . 23 SER N 1 1 14 7151 1 1 23 SER O O 7.476 3.537 2.723 1.00 . A A . 23 SER O 1 1 14 7152 1 1 23 SER OG O 5.403 6.353 5.465 1.00 . A A . 23 SER OG 1 1 14 7153 1 1 24 ALA C C 6.135 2.114 0.189 1.00 . A A . 24 ALA C 1 1 14 7154 1 1 24 ALA CA C 5.528 1.923 1.570 1.00 . A A . 24 ALA CA 1 1 14 7155 1 1 24 ALA CB C 4.215 1.170 1.461 1.00 . A A . 24 ALA CB 1 1 14 7156 1 1 24 ALA H H 4.396 3.578 2.243 1.00 . A A . 24 ALA H 1 1 14 7157 1 1 24 ALA HA H 6.206 1.348 2.183 1.00 . A A . 24 ALA HA 1 1 14 7158 1 1 24 ALA HB1 H 4.087 0.538 2.327 1.00 . A A . 24 ALA HB1 1 1 14 7159 1 1 24 ALA HB2 H 4.221 0.563 0.567 1.00 . A A . 24 ALA HB2 1 1 14 7160 1 1 24 ALA HB3 H 3.402 1.880 1.408 1.00 . A A . 24 ALA HB3 1 1 14 7161 1 1 24 ALA N N 5.308 3.214 2.209 1.00 . A A . 24 ALA N 1 1 14 7162 1 1 24 ALA O O 7.171 1.537 -0.138 1.00 . A A . 24 ALA O 1 1 14 7163 1 1 25 GLY C C 7.338 3.810 -1.969 1.00 . A A . 25 GLY C 1 1 14 7164 1 1 25 GLY CA C 5.948 3.205 -1.959 1.00 . A A . 25 GLY CA 1 1 14 7165 1 1 25 GLY H H 4.654 3.360 -0.293 1.00 . A A . 25 GLY H 1 1 14 7166 1 1 25 GLY HA2 H 5.965 2.279 -2.514 1.00 . A A . 25 GLY HA2 1 1 14 7167 1 1 25 GLY HA3 H 5.266 3.887 -2.441 1.00 . A A . 25 GLY HA3 1 1 14 7168 1 1 25 GLY N N 5.474 2.935 -0.615 1.00 . A A . 25 GLY N 1 1 14 7169 1 1 25 GLY O O 8.166 3.444 -2.796 1.00 . A A . 25 GLY O 1 1 14 7170 1 1 26 VAL C C 9.991 4.425 -0.600 1.00 . A A . 26 VAL C 1 1 14 7171 1 1 26 VAL CA C 8.895 5.406 -0.984 1.00 . A A . 26 VAL CA 1 1 14 7172 1 1 26 VAL CB C 8.890 6.565 0.030 1.00 . A A . 26 VAL CB 1 1 14 7173 1 1 26 VAL CG1 C 10.286 7.143 0.201 1.00 . A A . 26 VAL CG1 1 1 14 7174 1 1 26 VAL CG2 C 7.926 7.639 -0.415 1.00 . A A . 26 VAL CG2 1 1 14 7175 1 1 26 VAL H H 6.881 5.019 -0.433 1.00 . A A . 26 VAL H 1 1 14 7176 1 1 26 VAL HA H 9.126 5.809 -1.961 1.00 . A A . 26 VAL HA 1 1 14 7177 1 1 26 VAL HB H 8.558 6.184 0.988 1.00 . A A . 26 VAL HB 1 1 14 7178 1 1 26 VAL HG11 H 10.217 8.132 0.629 1.00 . A A . 26 VAL HG11 1 1 14 7179 1 1 26 VAL HG12 H 10.770 7.200 -0.763 1.00 . A A . 26 VAL HG12 1 1 14 7180 1 1 26 VAL HG13 H 10.863 6.506 0.855 1.00 . A A . 26 VAL HG13 1 1 14 7181 1 1 26 VAL HG21 H 8.221 8.009 -1.385 1.00 . A A . 26 VAL HG21 1 1 14 7182 1 1 26 VAL HG22 H 7.940 8.444 0.301 1.00 . A A . 26 VAL HG22 1 1 14 7183 1 1 26 VAL HG23 H 6.933 7.219 -0.474 1.00 . A A . 26 VAL HG23 1 1 14 7184 1 1 26 VAL N N 7.590 4.751 -1.060 1.00 . A A . 26 VAL N 1 1 14 7185 1 1 26 VAL O O 11.075 4.455 -1.169 1.00 . A A . 26 VAL O 1 1 14 7186 1 1 27 HIS C C 11.098 1.711 -0.437 1.00 . A A . 27 HIS C 1 1 14 7187 1 1 27 HIS CA C 10.723 2.577 0.756 1.00 . A A . 27 HIS CA 1 1 14 7188 1 1 27 HIS CB C 10.206 1.712 1.906 1.00 . A A . 27 HIS CB 1 1 14 7189 1 1 27 HIS CD2 C 9.808 2.075 4.441 1.00 . A A . 27 HIS CD2 1 1 14 7190 1 1 27 HIS CE1 C 9.672 4.261 4.416 1.00 . A A . 27 HIS CE1 1 1 14 7191 1 1 27 HIS CG C 9.977 2.483 3.162 1.00 . A A . 27 HIS CG 1 1 14 7192 1 1 27 HIS H H 8.835 3.543 0.775 1.00 . A A . 27 HIS H 1 1 14 7193 1 1 27 HIS HA H 11.600 3.121 1.086 1.00 . A A . 27 HIS HA 1 1 14 7194 1 1 27 HIS HB2 H 9.268 1.262 1.622 1.00 . A A . 27 HIS HB2 1 1 14 7195 1 1 27 HIS HB3 H 10.924 0.936 2.119 1.00 . A A . 27 HIS HB3 1 1 14 7196 1 1 27 HIS HD1 H 9.976 4.449 2.410 1.00 . A A . 27 HIS HD1 1 1 14 7197 1 1 27 HIS HD2 H 9.819 1.054 4.796 1.00 . A A . 27 HIS HD2 1 1 14 7198 1 1 27 HIS HE1 H 9.543 5.281 4.721 1.00 . A A . 27 HIS HE1 1 1 14 7199 1 1 27 HIS HE2 H 9.378 3.213 6.153 1.00 . A A . 27 HIS HE2 1 1 14 7200 1 1 27 HIS N N 9.718 3.546 0.349 1.00 . A A . 27 HIS N 1 1 14 7201 1 1 27 HIS ND1 N 9.888 3.856 3.184 1.00 . A A . 27 HIS ND1 1 1 14 7202 1 1 27 HIS NE2 N 9.619 3.200 5.203 1.00 . A A . 27 HIS NE2 1 1 14 7203 1 1 27 HIS O O 12.266 1.430 -0.675 1.00 . A A . 27 HIS O 1 1 14 7204 1 1 28 ARG C C 10.897 1.305 -3.524 1.00 . A A . 28 ARG C 1 1 14 7205 1 1 28 ARG CA C 10.282 0.494 -2.380 1.00 . A A . 28 ARG CA 1 1 14 7206 1 1 28 ARG CB C 8.941 -0.110 -2.816 1.00 . A A . 28 ARG CB 1 1 14 7207 1 1 28 ARG CD C 8.445 -2.171 -4.176 1.00 . A A . 28 ARG CD 1 1 14 7208 1 1 28 ARG CG C 8.961 -0.739 -4.201 1.00 . A A . 28 ARG CG 1 1 14 7209 1 1 28 ARG CZ C 8.881 -3.359 -2.053 1.00 . A A . 28 ARG CZ 1 1 14 7210 1 1 28 ARG H H 9.177 1.584 -0.949 1.00 . A A . 28 ARG H 1 1 14 7211 1 1 28 ARG HA H 10.959 -0.305 -2.120 1.00 . A A . 28 ARG HA 1 1 14 7212 1 1 28 ARG HB2 H 8.657 -0.872 -2.107 1.00 . A A . 28 ARG HB2 1 1 14 7213 1 1 28 ARG HB3 H 8.192 0.668 -2.811 1.00 . A A . 28 ARG HB3 1 1 14 7214 1 1 28 ARG HD2 H 7.421 -2.165 -3.837 1.00 . A A . 28 ARG HD2 1 1 14 7215 1 1 28 ARG HD3 H 8.486 -2.571 -5.180 1.00 . A A . 28 ARG HD3 1 1 14 7216 1 1 28 ARG HE H 10.087 -3.370 -3.644 1.00 . A A . 28 ARG HE 1 1 14 7217 1 1 28 ARG HG2 H 8.335 -0.153 -4.859 1.00 . A A . 28 ARG HG2 1 1 14 7218 1 1 28 ARG HG3 H 9.975 -0.738 -4.572 1.00 . A A . 28 ARG HG3 1 1 14 7219 1 1 28 ARG HH11 H 7.143 -2.324 -2.070 1.00 . A A . 28 ARG HH11 1 1 14 7220 1 1 28 ARG HH12 H 7.485 -3.173 -0.603 1.00 . A A . 28 ARG HH12 1 1 14 7221 1 1 28 ARG HH21 H 10.531 -4.479 -1.713 1.00 . A A . 28 ARG HH21 1 1 14 7222 1 1 28 ARG HH22 H 9.407 -4.393 -0.397 1.00 . A A . 28 ARG HH22 1 1 14 7223 1 1 28 ARG N N 10.085 1.312 -1.191 1.00 . A A . 28 ARG N 1 1 14 7224 1 1 28 ARG NE N 9.238 -3.025 -3.294 1.00 . A A . 28 ARG NE 1 1 14 7225 1 1 28 ARG NH1 N 7.743 -2.915 -1.533 1.00 . A A . 28 ARG NH1 1 1 14 7226 1 1 28 ARG NH2 N 9.671 -4.142 -1.329 1.00 . A A . 28 ARG NH2 1 1 14 7227 1 1 28 ARG O O 11.816 0.840 -4.196 1.00 . A A . 28 ARG O 1 1 14 7228 1 1 29 LEU C C 12.259 3.908 -4.512 1.00 . A A . 29 LEU C 1 1 14 7229 1 1 29 LEU CA C 10.870 3.366 -4.824 1.00 . A A . 29 LEU CA 1 1 14 7230 1 1 29 LEU CB C 9.868 4.497 -5.117 1.00 . A A . 29 LEU CB 1 1 14 7231 1 1 29 LEU CD1 C 11.090 6.694 -5.191 1.00 . A A . 29 LEU CD1 1 1 14 7232 1 1 29 LEU CD2 C 8.787 6.578 -4.230 1.00 . A A . 29 LEU CD2 1 1 14 7233 1 1 29 LEU CG C 10.106 5.837 -4.407 1.00 . A A . 29 LEU CG 1 1 14 7234 1 1 29 LEU H H 9.647 2.830 -3.185 1.00 . A A . 29 LEU H 1 1 14 7235 1 1 29 LEU HA H 10.944 2.750 -5.701 1.00 . A A . 29 LEU HA 1 1 14 7236 1 1 29 LEU HB2 H 9.874 4.680 -6.181 1.00 . A A . 29 LEU HB2 1 1 14 7237 1 1 29 LEU HB3 H 8.886 4.145 -4.840 1.00 . A A . 29 LEU HB3 1 1 14 7238 1 1 29 LEU HD11 H 12.045 6.197 -5.241 1.00 . A A . 29 LEU HD11 1 1 14 7239 1 1 29 LEU HD12 H 11.207 7.649 -4.700 1.00 . A A . 29 LEU HD12 1 1 14 7240 1 1 29 LEU HD13 H 10.712 6.849 -6.192 1.00 . A A . 29 LEU HD13 1 1 14 7241 1 1 29 LEU HD21 H 8.971 7.532 -3.755 1.00 . A A . 29 LEU HD21 1 1 14 7242 1 1 29 LEU HD22 H 8.125 5.991 -3.612 1.00 . A A . 29 LEU HD22 1 1 14 7243 1 1 29 LEU HD23 H 8.332 6.738 -5.195 1.00 . A A . 29 LEU HD23 1 1 14 7244 1 1 29 LEU HG H 10.522 5.655 -3.429 1.00 . A A . 29 LEU HG 1 1 14 7245 1 1 29 LEU N N 10.377 2.511 -3.749 1.00 . A A . 29 LEU N 1 1 14 7246 1 1 29 LEU O O 13.155 3.882 -5.355 1.00 . A A . 29 LEU O 1 1 14 7247 1 1 30 ALA C C 14.679 3.840 -2.468 1.00 . A A . 30 ALA C 1 1 14 7248 1 1 30 ALA CA C 13.696 4.943 -2.851 1.00 . A A . 30 ALA CA 1 1 14 7249 1 1 30 ALA CB C 13.466 5.899 -1.690 1.00 . A A . 30 ALA CB 1 1 14 7250 1 1 30 ALA H H 11.674 4.379 -2.673 1.00 . A A . 30 ALA H 1 1 14 7251 1 1 30 ALA HA H 14.114 5.510 -3.671 1.00 . A A . 30 ALA HA 1 1 14 7252 1 1 30 ALA HB1 H 13.869 5.475 -0.783 1.00 . A A . 30 ALA HB1 1 1 14 7253 1 1 30 ALA HB2 H 12.404 6.062 -1.569 1.00 . A A . 30 ALA HB2 1 1 14 7254 1 1 30 ALA HB3 H 13.953 6.840 -1.897 1.00 . A A . 30 ALA HB3 1 1 14 7255 1 1 30 ALA N N 12.427 4.393 -3.294 1.00 . A A . 30 ALA N 1 1 14 7256 1 1 30 ALA O O 15.581 3.507 -3.236 1.00 . A A . 30 ALA O 1 1 14 7257 1 1 31 ASN C C 16.844 2.546 -1.054 1.00 . A A . 31 ASN C 1 1 14 7258 1 1 31 ASN CA C 15.377 2.214 -0.773 1.00 . A A . 31 ASN CA 1 1 14 7259 1 1 31 ASN CB C 14.991 0.860 -1.398 1.00 . A A . 31 ASN CB 1 1 14 7260 1 1 31 ASN CG C 16.070 -0.197 -1.245 1.00 . A A . 31 ASN CG 1 1 14 7261 1 1 31 ASN H H 13.767 3.589 -0.701 1.00 . A A . 31 ASN H 1 1 14 7262 1 1 31 ASN HA H 15.239 2.155 0.296 1.00 . A A . 31 ASN HA 1 1 14 7263 1 1 31 ASN HB2 H 14.102 0.492 -0.914 1.00 . A A . 31 ASN HB2 1 1 14 7264 1 1 31 ASN HB3 H 14.789 0.997 -2.450 1.00 . A A . 31 ASN HB3 1 1 14 7265 1 1 31 ASN HD21 H 15.279 -1.253 -2.733 1.00 . A A . 31 ASN HD21 1 1 14 7266 1 1 31 ASN HD22 H 16.690 -1.928 -2.001 1.00 . A A . 31 ASN HD22 1 1 14 7267 1 1 31 ASN N N 14.501 3.278 -1.269 1.00 . A A . 31 ASN N 1 1 14 7268 1 1 31 ASN ND2 N 16.006 -1.231 -2.077 1.00 . A A . 31 ASN ND2 1 1 14 7269 1 1 31 ASN O O 17.481 1.936 -1.913 1.00 . A A . 31 ASN O 1 1 14 7270 1 1 31 ASN OD1 O 16.946 -0.089 -0.387 1.00 . A A . 31 ASN OD1 1 1 14 7271 1 1 32 GLY C C 18.981 5.395 -0.238 1.00 . A A . 32 GLY C 1 1 14 7272 1 1 32 GLY CA C 18.756 3.920 -0.509 1.00 . A A . 32 GLY CA 1 1 14 7273 1 1 32 GLY H H 16.820 3.978 0.347 1.00 . A A . 32 GLY H 1 1 14 7274 1 1 32 GLY HA2 H 19.377 3.344 0.160 1.00 . A A . 32 GLY HA2 1 1 14 7275 1 1 32 GLY HA3 H 19.047 3.706 -1.528 1.00 . A A . 32 GLY HA3 1 1 14 7276 1 1 32 GLY N N 17.373 3.523 -0.323 1.00 . A A . 32 GLY N 1 1 14 7277 1 1 32 GLY O O 19.463 5.769 0.832 1.00 . A A . 32 GLY O 1 1 14 7278 1 1 33 GLY C C 20.284 8.042 -0.903 1.00 . A A . 33 GLY C 1 1 14 7279 1 1 33 GLY CA C 18.822 7.667 -1.048 1.00 . A A . 33 GLY CA 1 1 14 7280 1 1 33 GLY H H 18.261 5.881 -2.042 1.00 . A A . 33 GLY H 1 1 14 7281 1 1 33 GLY HA2 H 18.415 8.172 -1.913 1.00 . A A . 33 GLY HA2 1 1 14 7282 1 1 33 GLY HA3 H 18.288 7.992 -0.168 1.00 . A A . 33 GLY HA3 1 1 14 7283 1 1 33 GLY N N 18.638 6.236 -1.209 1.00 . A A . 33 GLY N 1 1 14 7284 1 1 33 GLY O O 20.666 8.727 0.046 1.00 . A A . 33 GLY O 1 1 14 7285 1 1 34 ASN C C 23.092 7.896 -3.245 1.00 . A A . 34 ASN C 1 1 14 7286 1 1 34 ASN CA C 22.534 7.867 -1.827 1.00 . A A . 34 ASN CA 1 1 14 7287 1 1 34 ASN CB C 23.272 6.815 -0.996 1.00 . A A . 34 ASN CB 1 1 14 7288 1 1 34 ASN CG C 23.182 7.087 0.492 1.00 . A A . 34 ASN CG 1 1 14 7289 1 1 34 ASN H H 20.733 7.040 -2.571 1.00 . A A . 34 ASN H 1 1 14 7290 1 1 34 ASN HA H 22.677 8.838 -1.375 1.00 . A A . 34 ASN HA 1 1 14 7291 1 1 34 ASN HB2 H 22.842 5.844 -1.192 1.00 . A A . 34 ASN HB2 1 1 14 7292 1 1 34 ASN HB3 H 24.314 6.806 -1.282 1.00 . A A . 34 ASN HB3 1 1 14 7293 1 1 34 ASN HD21 H 23.989 8.887 0.237 1.00 . A A . 34 ASN HD21 1 1 14 7294 1 1 34 ASN HD22 H 23.586 8.469 1.864 1.00 . A A . 34 ASN HD22 1 1 14 7295 1 1 34 ASN N N 21.103 7.584 -1.845 1.00 . A A . 34 ASN N 1 1 14 7296 1 1 34 ASN ND2 N 23.631 8.267 0.907 1.00 . A A . 34 ASN ND2 1 1 14 7297 1 1 34 ASN O O 23.480 6.863 -3.791 1.00 . A A . 34 ASN O 1 1 14 7298 1 1 34 ASN OD1 O 22.713 6.247 1.261 1.00 . A A . 34 ASN OD1 1 1 14 7299 1 1 35 GLY C C 22.522 9.119 -6.225 1.00 . A A . 35 GLY C 1 1 14 7300 1 1 35 GLY CA C 23.628 9.227 -5.192 1.00 . A A . 35 GLY CA 1 1 14 7301 1 1 35 GLY H H 22.793 9.871 -3.355 1.00 . A A . 35 GLY H 1 1 14 7302 1 1 35 GLY HA2 H 24.107 10.191 -5.288 1.00 . A A . 35 GLY HA2 1 1 14 7303 1 1 35 GLY HA3 H 24.359 8.452 -5.379 1.00 . A A . 35 GLY HA3 1 1 14 7304 1 1 35 GLY N N 23.122 9.084 -3.838 1.00 . A A . 35 GLY N 1 1 14 7305 1 1 35 GLY O O 21.853 8.091 -6.318 1.00 . A A . 35 GLY O 1 1 14 7306 1 1 36 PHE C C 21.548 11.322 -9.030 1.00 . A A . 36 PHE C 1 1 14 7307 1 1 36 PHE CA C 21.285 10.207 -8.022 1.00 . A A . 36 PHE CA 1 1 14 7308 1 1 36 PHE CB C 19.905 10.393 -7.379 1.00 . A A . 36 PHE CB 1 1 14 7309 1 1 36 PHE CD1 C 18.466 8.572 -8.333 1.00 . A A . 36 PHE CD1 1 1 14 7310 1 1 36 PHE CD2 C 19.069 8.447 -6.030 1.00 . A A . 36 PHE CD2 1 1 14 7311 1 1 36 PHE CE1 C 17.756 7.392 -8.214 1.00 . A A . 36 PHE CE1 1 1 14 7312 1 1 36 PHE CE2 C 18.362 7.268 -5.905 1.00 . A A . 36 PHE CE2 1 1 14 7313 1 1 36 PHE CG C 19.130 9.113 -7.244 1.00 . A A . 36 PHE CG 1 1 14 7314 1 1 36 PHE CZ C 17.704 6.740 -6.998 1.00 . A A . 36 PHE CZ 1 1 14 7315 1 1 36 PHE H H 22.885 10.978 -6.867 1.00 . A A . 36 PHE H 1 1 14 7316 1 1 36 PHE HA H 21.309 9.256 -8.539 1.00 . A A . 36 PHE HA 1 1 14 7317 1 1 36 PHE HB2 H 20.029 10.811 -6.392 1.00 . A A . 36 PHE HB2 1 1 14 7318 1 1 36 PHE HB3 H 19.321 11.072 -7.982 1.00 . A A . 36 PHE HB3 1 1 14 7319 1 1 36 PHE HD1 H 18.505 9.081 -9.285 1.00 . A A . 36 PHE HD1 1 1 14 7320 1 1 36 PHE HD2 H 19.580 8.859 -5.174 1.00 . A A . 36 PHE HD2 1 1 14 7321 1 1 36 PHE HE1 H 17.243 6.981 -9.070 1.00 . A A . 36 PHE HE1 1 1 14 7322 1 1 36 PHE HE2 H 18.323 6.758 -4.954 1.00 . A A . 36 PHE HE2 1 1 14 7323 1 1 36 PHE HZ H 17.152 5.817 -6.903 1.00 . A A . 36 PHE HZ 1 1 14 7324 1 1 36 PHE N N 22.324 10.185 -6.994 1.00 . A A . 36 PHE N 1 1 14 7325 1 1 36 PHE O O 20.615 11.922 -9.565 1.00 . A A . 36 PHE O 1 1 14 7326 1 1 37 TRP C C 22.804 14.010 -9.727 1.00 . A A . 37 TRP C 1 1 14 7327 1 1 37 TRP CA C 23.216 12.631 -10.233 1.00 . A A . 37 TRP CA 1 1 14 7328 1 1 37 TRP CB C 22.593 12.368 -11.606 1.00 . A A . 37 TRP CB 1 1 14 7329 1 1 37 TRP CD1 C 24.233 10.545 -12.347 1.00 . A A . 37 TRP CD1 1 1 14 7330 1 1 37 TRP CD2 C 23.874 12.135 -13.882 1.00 . A A . 37 TRP CD2 1 1 14 7331 1 1 37 TRP CE2 C 24.788 11.202 -14.406 1.00 . A A . 37 TRP CE2 1 1 14 7332 1 1 37 TRP CE3 C 23.498 13.226 -14.669 1.00 . A A . 37 TRP CE3 1 1 14 7333 1 1 37 TRP CG C 23.531 11.696 -12.561 1.00 . A A . 37 TRP CG 1 1 14 7334 1 1 37 TRP CH2 C 24.942 12.405 -16.433 1.00 . A A . 37 TRP CH2 1 1 14 7335 1 1 37 TRP CZ2 C 25.329 11.327 -15.684 1.00 . A A . 37 TRP CZ2 1 1 14 7336 1 1 37 TRP CZ3 C 24.035 13.350 -15.937 1.00 . A A . 37 TRP CZ3 1 1 14 7337 1 1 37 TRP H H 23.521 11.077 -8.828 1.00 . A A . 37 TRP H 1 1 14 7338 1 1 37 TRP HA H 24.291 12.605 -10.326 1.00 . A A . 37 TRP HA 1 1 14 7339 1 1 37 TRP HB2 H 21.729 11.734 -11.487 1.00 . A A . 37 TRP HB2 1 1 14 7340 1 1 37 TRP HB3 H 22.288 13.308 -12.044 1.00 . A A . 37 TRP HB3 1 1 14 7341 1 1 37 TRP HD1 H 24.189 9.967 -11.435 1.00 . A A . 37 TRP HD1 1 1 14 7342 1 1 37 TRP HE1 H 25.579 9.462 -13.542 1.00 . A A . 37 TRP HE1 1 1 14 7343 1 1 37 TRP HE3 H 22.799 13.965 -14.304 1.00 . A A . 37 TRP HE3 1 1 14 7344 1 1 37 TRP HH2 H 25.337 12.541 -17.429 1.00 . A A . 37 TRP HH2 1 1 14 7345 1 1 37 TRP HZ2 H 26.028 10.607 -16.082 1.00 . A A . 37 TRP HZ2 1 1 14 7346 1 1 37 TRP HZ3 H 23.756 14.186 -16.560 1.00 . A A . 37 TRP HZ3 1 1 14 7347 1 1 37 TRP N N 22.824 11.592 -9.287 1.00 . A A . 37 TRP N 1 1 14 7348 1 1 37 TRP NE1 N 24.990 10.241 -13.452 1.00 . A A . 37 TRP NE1 1 1 14 7349 1 1 37 TRP O O 23.681 14.735 -9.211 1.00 . A A . 37 TRP O 1 1 14 7350 1 1 37 TRP OXT O 21.610 14.355 -9.853 1.00 . A A . 37 TRP OXT 1 1 15 7351 1 1 1 LYS C C -6.518 -4.824 4.956 1.00 . A A . 1 LYS C 1 1 15 7352 1 1 1 LYS CA C -7.566 -5.653 5.681 1.00 . A A . 1 LYS CA 1 1 15 7353 1 1 1 LYS CB C -8.167 -6.682 4.717 1.00 . A A . 1 LYS CB 1 1 15 7354 1 1 1 LYS CD C -9.161 -7.172 2.464 1.00 . A A . 1 LYS CD 1 1 15 7355 1 1 1 LYS CE C -10.362 -7.892 3.056 1.00 . A A . 1 LYS CE 1 1 15 7356 1 1 1 LYS CG C -8.646 -6.090 3.399 1.00 . A A . 1 LYS CG 1 1 15 7357 1 1 1 LYS HA H -7.102 -6.170 6.507 1.00 . A A . 1 LYS HA 1 1 15 7358 1 1 1 LYS HB2 H -7.416 -7.426 4.492 1.00 . A A . 1 LYS HB2 1 1 15 7359 1 1 1 LYS HB3 H -9.006 -7.164 5.197 1.00 . A A . 1 LYS HB3 1 1 15 7360 1 1 1 LYS HD2 H -9.450 -6.720 1.527 1.00 . A A . 1 LYS HD2 1 1 15 7361 1 1 1 LYS HD3 H -8.371 -7.889 2.292 1.00 . A A . 1 LYS HD3 1 1 15 7362 1 1 1 LYS HE2 H -10.802 -8.517 2.295 1.00 . A A . 1 LYS HE2 1 1 15 7363 1 1 1 LYS HE3 H -10.026 -8.508 3.877 1.00 . A A . 1 LYS HE3 1 1 15 7364 1 1 1 LYS HG2 H -9.443 -5.391 3.596 1.00 . A A . 1 LYS HG2 1 1 15 7365 1 1 1 LYS HG3 H -7.823 -5.577 2.922 1.00 . A A . 1 LYS HG3 1 1 15 7366 1 1 1 LYS HZ1 H -12.241 -7.457 3.858 1.00 . A A . 1 LYS HZ1 1 1 15 7367 1 1 1 LYS HZ2 H -11.659 -6.274 2.800 1.00 . A A . 1 LYS HZ2 1 1 15 7368 1 1 1 LYS HZ3 H -11.021 -6.398 4.361 1.00 . A A . 1 LYS HZ3 1 1 15 7369 1 1 1 LYS N N -8.657 -4.790 6.212 1.00 . A A . 1 LYS N 1 1 15 7370 1 1 1 LYS NZ N -11.393 -6.938 3.554 1.00 . A A . 1 LYS NZ 1 1 15 7371 1 1 1 LYS O O -6.836 -4.102 4.018 1.00 . A A . 1 LYS O 1 1 15 7372 1 1 2 TYR C C -3.695 -4.883 3.520 1.00 . A A . 2 TYR C 1 1 15 7373 1 1 2 TYR CA C -4.207 -4.163 4.757 1.00 . A A . 2 TYR CA 1 1 15 7374 1 1 2 TYR CB C -3.063 -3.940 5.718 1.00 . A A . 2 TYR CB 1 1 15 7375 1 1 2 TYR CD1 C -3.270 -1.623 6.552 1.00 . A A . 2 TYR CD1 1 1 15 7376 1 1 2 TYR CD2 C -1.591 -2.064 4.939 1.00 . A A . 2 TYR CD2 1 1 15 7377 1 1 2 TYR CE1 C -2.892 -0.307 6.597 1.00 . A A . 2 TYR CE1 1 1 15 7378 1 1 2 TYR CE2 C -1.208 -0.753 4.966 1.00 . A A . 2 TYR CE2 1 1 15 7379 1 1 2 TYR CG C -2.629 -2.515 5.734 1.00 . A A . 2 TYR CG 1 1 15 7380 1 1 2 TYR CZ C -1.860 0.123 5.798 1.00 . A A . 2 TYR CZ 1 1 15 7381 1 1 2 TYR H H -5.058 -5.495 6.148 1.00 . A A . 2 TYR H 1 1 15 7382 1 1 2 TYR HA H -4.604 -3.197 4.478 1.00 . A A . 2 TYR HA 1 1 15 7383 1 1 2 TYR HB2 H -3.382 -4.196 6.712 1.00 . A A . 2 TYR HB2 1 1 15 7384 1 1 2 TYR HB3 H -2.219 -4.547 5.434 1.00 . A A . 2 TYR HB3 1 1 15 7385 1 1 2 TYR HD1 H -4.088 -1.975 7.152 1.00 . A A . 2 TYR HD1 1 1 15 7386 1 1 2 TYR HD2 H -1.090 -2.748 4.286 1.00 . A A . 2 TYR HD2 1 1 15 7387 1 1 2 TYR HE1 H -3.410 0.382 7.247 1.00 . A A . 2 TYR HE1 1 1 15 7388 1 1 2 TYR HE2 H -0.407 -0.417 4.332 1.00 . A A . 2 TYR HE2 1 1 15 7389 1 1 2 TYR HH H -0.522 1.449 6.013 1.00 . A A . 2 TYR HH 1 1 15 7390 1 1 2 TYR N N -5.269 -4.919 5.388 1.00 . A A . 2 TYR N 1 1 15 7391 1 1 2 TYR O O -3.452 -6.088 3.547 1.00 . A A . 2 TYR O 1 1 15 7392 1 1 2 TYR OH O -1.464 1.424 5.843 1.00 . A A . 2 TYR OH 1 1 15 7393 1 1 3 TYR C C -1.586 -4.310 0.931 1.00 . A A . 3 TYR C 1 1 15 7394 1 1 3 TYR CA C -3.035 -4.708 1.189 1.00 . A A . 3 TYR CA 1 1 15 7395 1 1 3 TYR CB C -3.920 -4.267 0.025 1.00 . A A . 3 TYR CB 1 1 15 7396 1 1 3 TYR CD1 C -5.037 -6.386 -0.771 1.00 . A A . 3 TYR CD1 1 1 15 7397 1 1 3 TYR CD2 C -6.390 -4.732 0.286 1.00 . A A . 3 TYR CD2 1 1 15 7398 1 1 3 TYR CE1 C -6.148 -7.192 -0.935 1.00 . A A . 3 TYR CE1 1 1 15 7399 1 1 3 TYR CE2 C -7.503 -5.531 0.124 1.00 . A A . 3 TYR CE2 1 1 15 7400 1 1 3 TYR CG C -5.139 -5.143 -0.158 1.00 . A A . 3 TYR CG 1 1 15 7401 1 1 3 TYR CZ C -7.379 -6.758 -0.486 1.00 . A A . 3 TYR CZ 1 1 15 7402 1 1 3 TYR H H -3.727 -3.178 2.482 1.00 . A A . 3 TYR H 1 1 15 7403 1 1 3 TYR HA H -3.089 -5.786 1.274 1.00 . A A . 3 TYR HA 1 1 15 7404 1 1 3 TYR HB2 H -4.257 -3.257 0.198 1.00 . A A . 3 TYR HB2 1 1 15 7405 1 1 3 TYR HB3 H -3.346 -4.299 -0.891 1.00 . A A . 3 TYR HB3 1 1 15 7406 1 1 3 TYR HD1 H -4.072 -6.723 -1.119 1.00 . A A . 3 TYR HD1 1 1 15 7407 1 1 3 TYR HD2 H -6.487 -3.775 0.771 1.00 . A A . 3 TYR HD2 1 1 15 7408 1 1 3 TYR HE1 H -6.051 -8.155 -1.415 1.00 . A A . 3 TYR HE1 1 1 15 7409 1 1 3 TYR HE2 H -8.466 -5.194 0.478 1.00 . A A . 3 TYR HE2 1 1 15 7410 1 1 3 TYR HH H -8.766 -7.530 -1.565 1.00 . A A . 3 TYR HH 1 1 15 7411 1 1 3 TYR N N -3.523 -4.136 2.439 1.00 . A A . 3 TYR N 1 1 15 7412 1 1 3 TYR O O -1.204 -4.019 -0.202 1.00 . A A . 3 TYR O 1 1 15 7413 1 1 3 TYR OH O -8.486 -7.555 -0.648 1.00 . A A . 3 TYR OH 1 1 15 7414 1 1 4 GLY C C 0.865 -2.725 0.976 1.00 . A A . 4 GLY C 1 1 15 7415 1 1 4 GLY CA C 0.626 -3.927 1.873 1.00 . A A . 4 GLY CA 1 1 15 7416 1 1 4 GLY H H -1.146 -4.520 2.876 1.00 . A A . 4 GLY H 1 1 15 7417 1 1 4 GLY HA2 H 1.011 -3.702 2.856 1.00 . A A . 4 GLY HA2 1 1 15 7418 1 1 4 GLY HA3 H 1.166 -4.777 1.473 1.00 . A A . 4 GLY HA3 1 1 15 7419 1 1 4 GLY N N -0.781 -4.287 1.997 1.00 . A A . 4 GLY N 1 1 15 7420 1 1 4 GLY O O 1.957 -2.552 0.434 1.00 . A A . 4 GLY O 1 1 15 7421 1 1 5 ASN C C -0.926 0.402 0.612 1.00 . A A . 5 ASN C 1 1 15 7422 1 1 5 ASN CA C -0.079 -0.701 -0.004 1.00 . A A . 5 ASN CA 1 1 15 7423 1 1 5 ASN CB C -0.551 -1.002 -1.426 1.00 . A A . 5 ASN CB 1 1 15 7424 1 1 5 ASN CG C 0.609 -1.286 -2.357 1.00 . A A . 5 ASN CG 1 1 15 7425 1 1 5 ASN H H -0.999 -2.092 1.286 1.00 . A A . 5 ASN H 1 1 15 7426 1 1 5 ASN HA H 0.953 -0.377 -0.030 1.00 . A A . 5 ASN HA 1 1 15 7427 1 1 5 ASN HB2 H -1.199 -1.865 -1.409 1.00 . A A . 5 ASN HB2 1 1 15 7428 1 1 5 ASN HB3 H -1.097 -0.151 -1.807 1.00 . A A . 5 ASN HB3 1 1 15 7429 1 1 5 ASN HD21 H -0.538 -2.464 -3.475 1.00 . A A . 5 ASN HD21 1 1 15 7430 1 1 5 ASN HD22 H 1.102 -2.300 -3.993 1.00 . A A . 5 ASN HD22 1 1 15 7431 1 1 5 ASN N N -0.161 -1.898 0.822 1.00 . A A . 5 ASN N 1 1 15 7432 1 1 5 ASN ND2 N 0.367 -2.099 -3.378 1.00 . A A . 5 ASN ND2 1 1 15 7433 1 1 5 ASN O O -1.641 1.121 -0.086 1.00 . A A . 5 ASN O 1 1 15 7434 1 1 5 ASN OD1 O 1.712 -0.780 -2.161 1.00 . A A . 5 ASN OD1 1 1 15 7435 1 1 6 GLY C C -3.134 1.375 2.368 1.00 . A A . 6 GLY C 1 1 15 7436 1 1 6 GLY CA C -1.647 1.505 2.638 1.00 . A A . 6 GLY CA 1 1 15 7437 1 1 6 GLY H H -0.293 -0.107 2.440 1.00 . A A . 6 GLY H 1 1 15 7438 1 1 6 GLY HA2 H -1.473 1.402 3.697 1.00 . A A . 6 GLY HA2 1 1 15 7439 1 1 6 GLY HA3 H -1.322 2.483 2.327 1.00 . A A . 6 GLY HA3 1 1 15 7440 1 1 6 GLY N N -0.864 0.509 1.935 1.00 . A A . 6 GLY N 1 1 15 7441 1 1 6 GLY O O -3.905 2.279 2.684 1.00 . A A . 6 GLY O 1 1 15 7442 1 1 7 VAL C C -5.575 -0.950 2.465 1.00 . A A . 7 VAL C 1 1 15 7443 1 1 7 VAL CA C -4.952 0.019 1.476 1.00 . A A . 7 VAL CA 1 1 15 7444 1 1 7 VAL CB C -5.167 -0.527 0.051 1.00 . A A . 7 VAL CB 1 1 15 7445 1 1 7 VAL CG1 C -6.580 -1.058 -0.086 1.00 . A A . 7 VAL CG1 1 1 15 7446 1 1 7 VAL CG2 C -4.928 0.556 -0.983 1.00 . A A . 7 VAL CG2 1 1 15 7447 1 1 7 VAL H H -2.880 -0.437 1.559 1.00 . A A . 7 VAL H 1 1 15 7448 1 1 7 VAL HA H -5.475 0.962 1.546 1.00 . A A . 7 VAL HA 1 1 15 7449 1 1 7 VAL HB H -4.472 -1.335 -0.123 1.00 . A A . 7 VAL HB 1 1 15 7450 1 1 7 VAL HG11 H -6.829 -1.164 -1.133 1.00 . A A . 7 VAL HG11 1 1 15 7451 1 1 7 VAL HG12 H -7.258 -0.356 0.380 1.00 . A A . 7 VAL HG12 1 1 15 7452 1 1 7 VAL HG13 H -6.655 -2.011 0.406 1.00 . A A . 7 VAL HG13 1 1 15 7453 1 1 7 VAL HG21 H -4.389 0.143 -1.820 1.00 . A A . 7 VAL HG21 1 1 15 7454 1 1 7 VAL HG22 H -4.357 1.357 -0.542 1.00 . A A . 7 VAL HG22 1 1 15 7455 1 1 7 VAL HG23 H -5.884 0.935 -1.323 1.00 . A A . 7 VAL HG23 1 1 15 7456 1 1 7 VAL N N -3.540 0.252 1.781 1.00 . A A . 7 VAL N 1 1 15 7457 1 1 7 VAL O O -5.156 -2.103 2.569 1.00 . A A . 7 VAL O 1 1 15 7458 1 1 8 HIS C C -8.785 -1.206 3.931 1.00 . A A . 8 HIS C 1 1 15 7459 1 1 8 HIS CA C -7.293 -1.322 4.123 1.00 . A A . 8 HIS CA 1 1 15 7460 1 1 8 HIS CB C -6.941 -0.961 5.568 1.00 . A A . 8 HIS CB 1 1 15 7461 1 1 8 HIS CD2 C -5.064 0.730 5.095 1.00 . A A . 8 HIS CD2 1 1 15 7462 1 1 8 HIS CE1 C -5.710 2.318 6.456 1.00 . A A . 8 HIS CE1 1 1 15 7463 1 1 8 HIS CG C -6.190 0.313 5.704 1.00 . A A . 8 HIS CG 1 1 15 7464 1 1 8 HIS H H -6.898 0.438 3.026 1.00 . A A . 8 HIS H 1 1 15 7465 1 1 8 HIS HA H -7.000 -2.338 3.935 1.00 . A A . 8 HIS HA 1 1 15 7466 1 1 8 HIS HB2 H -7.852 -0.868 6.142 1.00 . A A . 8 HIS HB2 1 1 15 7467 1 1 8 HIS HB3 H -6.338 -1.750 5.991 1.00 . A A . 8 HIS HB3 1 1 15 7468 1 1 8 HIS HD1 H -7.359 1.322 7.134 1.00 . A A . 8 HIS HD1 1 1 15 7469 1 1 8 HIS HD2 H -4.485 0.166 4.370 1.00 . A A . 8 HIS HD2 1 1 15 7470 1 1 8 HIS HE1 H -5.756 3.241 7.006 1.00 . A A . 8 HIS HE1 1 1 15 7471 1 1 8 HIS HE2 H -3.935 2.457 5.446 1.00 . A A . 8 HIS HE2 1 1 15 7472 1 1 8 HIS N N -6.595 -0.484 3.167 1.00 . A A . 8 HIS N 1 1 15 7473 1 1 8 HIS ND1 N -6.571 1.327 6.550 1.00 . A A . 8 HIS ND1 1 1 15 7474 1 1 8 HIS NE2 N -4.780 1.983 5.577 1.00 . A A . 8 HIS NE2 1 1 15 7475 1 1 8 HIS O O -9.316 -0.117 3.715 1.00 . A A . 8 HIS O 1 1 15 7476 1 1 9 CYS C C -11.518 -2.606 5.247 1.00 . A A . 9 CYS C 1 1 15 7477 1 1 9 CYS CA C -10.895 -2.349 3.887 1.00 . A A . 9 CYS CA 1 1 15 7478 1 1 9 CYS CB C -11.343 -3.400 2.880 1.00 . A A . 9 CYS CB 1 1 15 7479 1 1 9 CYS H H -8.986 -3.168 4.209 1.00 . A A . 9 CYS H 1 1 15 7480 1 1 9 CYS HA H -11.197 -1.375 3.542 1.00 . A A . 9 CYS HA 1 1 15 7481 1 1 9 CYS HB2 H -11.202 -4.380 3.304 1.00 . A A . 9 CYS HB2 1 1 15 7482 1 1 9 CYS HB3 H -12.389 -3.246 2.668 1.00 . A A . 9 CYS HB3 1 1 15 7483 1 1 9 CYS N N -9.462 -2.333 4.025 1.00 . A A . 9 CYS N 1 1 15 7484 1 1 9 CYS O O -11.504 -3.729 5.750 1.00 . A A . 9 CYS O 1 1 15 7485 1 1 9 CYS SG S -10.450 -3.348 1.296 1.00 . A A . 9 CYS SG 1 1 15 7486 1 1 10 THR C C -14.135 -1.846 7.081 1.00 . A A . 10 THR C 1 1 15 7487 1 1 10 THR CA C -12.630 -1.657 7.172 1.00 . A A . 10 THR CA 1 1 15 7488 1 1 10 THR CB C -12.295 -0.408 7.997 1.00 . A A . 10 THR CB 1 1 15 7489 1 1 10 THR CG2 C -10.807 -0.130 8.097 1.00 . A A . 10 THR CG2 1 1 15 7490 1 1 10 THR H H -11.996 -0.678 5.407 1.00 . A A . 10 THR H 1 1 15 7491 1 1 10 THR HA H -12.206 -2.519 7.658 1.00 . A A . 10 THR HA 1 1 15 7492 1 1 10 THR HB H -12.674 -0.539 8.999 1.00 . A A . 10 THR HB 1 1 15 7493 1 1 10 THR HG1 H -12.842 0.702 6.479 1.00 . A A . 10 THR HG1 1 1 15 7494 1 1 10 THR HG21 H -10.264 -1.064 8.092 1.00 . A A . 10 THR HG21 1 1 15 7495 1 1 10 THR HG22 H -10.600 0.400 9.014 1.00 . A A . 10 THR HG22 1 1 15 7496 1 1 10 THR HG23 H -10.494 0.472 7.256 1.00 . A A . 10 THR HG23 1 1 15 7497 1 1 10 THR N N -12.035 -1.552 5.851 1.00 . A A . 10 THR N 1 1 15 7498 1 1 10 THR O O -14.676 -2.126 6.011 1.00 . A A . 10 THR O 1 1 15 7499 1 1 10 THR OG1 O -12.908 0.740 7.436 1.00 . A A . 10 THR OG1 1 1 15 7500 1 1 11 LYS C C -16.969 -0.883 7.378 1.00 . A A . 11 LYS C 1 1 15 7501 1 1 11 LYS CA C -16.242 -1.880 8.281 1.00 . A A . 11 LYS CA 1 1 15 7502 1 1 11 LYS CB C -16.702 -1.743 9.731 1.00 . A A . 11 LYS CB 1 1 15 7503 1 1 11 LYS CD C -18.117 0.245 10.306 1.00 . A A . 11 LYS CD 1 1 15 7504 1 1 11 LYS CE C -18.168 1.559 11.066 1.00 . A A . 11 LYS CE 1 1 15 7505 1 1 11 LYS CG C -16.706 -0.313 10.244 1.00 . A A . 11 LYS CG 1 1 15 7506 1 1 11 LYS H H -14.309 -1.498 9.036 1.00 . A A . 11 LYS H 1 1 15 7507 1 1 11 LYS HA H -16.466 -2.879 7.940 1.00 . A A . 11 LYS HA 1 1 15 7508 1 1 11 LYS HB2 H -17.702 -2.141 9.818 1.00 . A A . 11 LYS HB2 1 1 15 7509 1 1 11 LYS HB3 H -16.038 -2.325 10.356 1.00 . A A . 11 LYS HB3 1 1 15 7510 1 1 11 LYS HD2 H -18.473 0.407 9.301 1.00 . A A . 11 LYS HD2 1 1 15 7511 1 1 11 LYS HD3 H -18.754 -0.473 10.803 1.00 . A A . 11 LYS HD3 1 1 15 7512 1 1 11 LYS HE2 H -17.787 1.399 12.064 1.00 . A A . 11 LYS HE2 1 1 15 7513 1 1 11 LYS HE3 H -17.548 2.280 10.555 1.00 . A A . 11 LYS HE3 1 1 15 7514 1 1 11 LYS HG2 H -16.276 -0.294 11.236 1.00 . A A . 11 LYS HG2 1 1 15 7515 1 1 11 LYS HG3 H -16.113 0.298 9.581 1.00 . A A . 11 LYS HG3 1 1 15 7516 1 1 11 LYS HZ1 H -19.929 2.277 10.203 1.00 . A A . 11 LYS HZ1 1 1 15 7517 1 1 11 LYS HZ2 H -19.565 2.976 11.700 1.00 . A A . 11 LYS HZ2 1 1 15 7518 1 1 11 LYS HZ3 H -20.172 1.398 11.629 1.00 . A A . 11 LYS HZ3 1 1 15 7519 1 1 11 LYS N N -14.801 -1.709 8.215 1.00 . A A . 11 LYS N 1 1 15 7520 1 1 11 LYS NZ N -19.556 2.090 11.156 1.00 . A A . 11 LYS NZ 1 1 15 7521 1 1 11 LYS O O -18.138 -1.075 7.050 1.00 . A A . 11 LYS O 1 1 15 7522 1 1 12 SER C C -16.590 0.828 4.623 1.00 . A A . 12 SER C 1 1 15 7523 1 1 12 SER CA C -16.858 1.175 6.087 1.00 . A A . 12 SER CA 1 1 15 7524 1 1 12 SER CB C -16.296 2.558 6.412 1.00 . A A . 12 SER CB 1 1 15 7525 1 1 12 SER H H -15.337 0.273 7.247 1.00 . A A . 12 SER H 1 1 15 7526 1 1 12 SER HA H -17.922 1.181 6.256 1.00 . A A . 12 SER HA 1 1 15 7527 1 1 12 SER HB2 H -15.531 2.459 7.163 1.00 . A A . 12 SER HB2 1 1 15 7528 1 1 12 SER HB3 H -15.873 2.991 5.520 1.00 . A A . 12 SER HB3 1 1 15 7529 1 1 12 SER HG H -17.807 2.972 7.591 1.00 . A A . 12 SER HG 1 1 15 7530 1 1 12 SER N N -16.270 0.171 6.965 1.00 . A A . 12 SER N 1 1 15 7531 1 1 12 SER O O -17.375 1.168 3.737 1.00 . A A . 12 SER O 1 1 15 7532 1 1 12 SER OG O -17.309 3.420 6.903 1.00 . A A . 12 SER OG 1 1 15 7533 1 1 13 GLY C C -13.616 -0.184 2.814 1.00 . A A . 13 GLY C 1 1 15 7534 1 1 13 GLY CA C -15.112 -0.245 3.032 1.00 . A A . 13 GLY CA 1 1 15 7535 1 1 13 GLY H H -14.891 -0.099 5.130 1.00 . A A . 13 GLY H 1 1 15 7536 1 1 13 GLY HA2 H -15.452 -1.254 2.853 1.00 . A A . 13 GLY HA2 1 1 15 7537 1 1 13 GLY HA3 H -15.594 0.420 2.331 1.00 . A A . 13 GLY HA3 1 1 15 7538 1 1 13 GLY N N -15.475 0.145 4.383 1.00 . A A . 13 GLY N 1 1 15 7539 1 1 13 GLY O O -12.848 -0.160 3.775 1.00 . A A . 13 GLY O 1 1 15 7540 1 1 14 CYS C C -11.325 1.367 1.133 1.00 . A A . 14 CYS C 1 1 15 7541 1 1 14 CYS CA C -11.776 -0.074 1.241 1.00 . A A . 14 CYS CA 1 1 15 7542 1 1 14 CYS CB C -11.448 -0.826 -0.043 1.00 . A A . 14 CYS CB 1 1 15 7543 1 1 14 CYS H H -13.849 -0.161 0.826 1.00 . A A . 14 CYS H 1 1 15 7544 1 1 14 CYS HA H -11.235 -0.523 2.049 1.00 . A A . 14 CYS HA 1 1 15 7545 1 1 14 CYS HB2 H -12.001 -0.393 -0.860 1.00 . A A . 14 CYS HB2 1 1 15 7546 1 1 14 CYS HB3 H -10.392 -0.729 -0.233 1.00 . A A . 14 CYS HB3 1 1 15 7547 1 1 14 CYS N N -13.195 -0.148 1.555 1.00 . A A . 14 CYS N 1 1 15 7548 1 1 14 CYS O O -11.895 2.163 0.387 1.00 . A A . 14 CYS O 1 1 15 7549 1 1 14 CYS SG S -11.834 -2.605 0.009 1.00 . A A . 14 CYS SG 1 1 15 7550 1 1 15 SER C C -8.221 3.004 1.961 1.00 . A A . 15 SER C 1 1 15 7551 1 1 15 SER CA C -9.739 3.037 1.900 1.00 . A A . 15 SER CA 1 1 15 7552 1 1 15 SER CB C -10.293 3.828 3.088 1.00 . A A . 15 SER CB 1 1 15 7553 1 1 15 SER H H -9.882 0.991 2.455 1.00 . A A . 15 SER H 1 1 15 7554 1 1 15 SER HA H -10.039 3.522 0.985 1.00 . A A . 15 SER HA 1 1 15 7555 1 1 15 SER HB2 H -9.667 3.664 3.952 1.00 . A A . 15 SER HB2 1 1 15 7556 1 1 15 SER HB3 H -10.302 4.881 2.844 1.00 . A A . 15 SER HB3 1 1 15 7557 1 1 15 SER HG H -11.587 2.589 3.878 1.00 . A A . 15 SER HG 1 1 15 7558 1 1 15 SER N N -10.288 1.686 1.889 1.00 . A A . 15 SER N 1 1 15 7559 1 1 15 SER O O -7.619 1.943 2.126 1.00 . A A . 15 SER O 1 1 15 7560 1 1 15 SER OG O -11.613 3.421 3.401 1.00 . A A . 15 SER OG 1 1 15 7561 1 1 16 VAL C C -5.721 5.368 2.837 1.00 . A A . 16 VAL C 1 1 15 7562 1 1 16 VAL CA C -6.159 4.290 1.858 1.00 . A A . 16 VAL CA 1 1 15 7563 1 1 16 VAL CB C -5.581 4.642 0.476 1.00 . A A . 16 VAL CB 1 1 15 7564 1 1 16 VAL CG1 C -4.065 4.653 0.512 1.00 . A A . 16 VAL CG1 1 1 15 7565 1 1 16 VAL CG2 C -6.053 3.673 -0.569 1.00 . A A . 16 VAL CG2 1 1 15 7566 1 1 16 VAL H H -8.151 4.982 1.685 1.00 . A A . 16 VAL H 1 1 15 7567 1 1 16 VAL HA H -5.752 3.340 2.167 1.00 . A A . 16 VAL HA 1 1 15 7568 1 1 16 VAL HB H -5.930 5.628 0.206 1.00 . A A . 16 VAL HB 1 1 15 7569 1 1 16 VAL HG11 H -3.718 3.983 1.284 1.00 . A A . 16 VAL HG11 1 1 15 7570 1 1 16 VAL HG12 H -3.726 5.649 0.721 1.00 . A A . 16 VAL HG12 1 1 15 7571 1 1 16 VAL HG13 H -3.678 4.332 -0.446 1.00 . A A . 16 VAL HG13 1 1 15 7572 1 1 16 VAL HG21 H -6.969 4.036 -1.006 1.00 . A A . 16 VAL HG21 1 1 15 7573 1 1 16 VAL HG22 H -6.219 2.714 -0.102 1.00 . A A . 16 VAL HG22 1 1 15 7574 1 1 16 VAL HG23 H -5.292 3.587 -1.335 1.00 . A A . 16 VAL HG23 1 1 15 7575 1 1 16 VAL N N -7.610 4.175 1.819 1.00 . A A . 16 VAL N 1 1 15 7576 1 1 16 VAL O O -6.138 6.521 2.728 1.00 . A A . 16 VAL O 1 1 15 7577 1 1 17 ASN C C -3.423 6.947 4.054 1.00 . A A . 17 ASN C 1 1 15 7578 1 1 17 ASN CA C -4.362 5.963 4.749 1.00 . A A . 17 ASN CA 1 1 15 7579 1 1 17 ASN CB C -3.638 5.246 5.888 1.00 . A A . 17 ASN CB 1 1 15 7580 1 1 17 ASN CG C -4.353 5.406 7.218 1.00 . A A . 17 ASN CG 1 1 15 7581 1 1 17 ASN H H -4.552 4.072 3.817 1.00 . A A . 17 ASN H 1 1 15 7582 1 1 17 ASN HA H -5.202 6.504 5.148 1.00 . A A . 17 ASN HA 1 1 15 7583 1 1 17 ASN HB2 H -3.581 4.194 5.656 1.00 . A A . 17 ASN HB2 1 1 15 7584 1 1 17 ASN HB3 H -2.636 5.645 5.984 1.00 . A A . 17 ASN HB3 1 1 15 7585 1 1 17 ASN HD21 H -2.612 5.493 8.172 1.00 . A A . 17 ASN HD21 1 1 15 7586 1 1 17 ASN HD22 H -4.018 5.625 9.167 1.00 . A A . 17 ASN HD22 1 1 15 7587 1 1 17 ASN N N -4.866 5.000 3.782 1.00 . A A . 17 ASN N 1 1 15 7588 1 1 17 ASN ND2 N -3.582 5.520 8.293 1.00 . A A . 17 ASN ND2 1 1 15 7589 1 1 17 ASN O O -3.136 8.027 4.571 1.00 . A A . 17 ASN O 1 1 15 7590 1 1 17 ASN OD1 O -5.583 5.433 7.277 1.00 . A A . 17 ASN OD1 1 1 15 7591 1 1 18 TRP C C -0.715 7.557 2.738 1.00 . A A . 18 TRP C 1 1 15 7592 1 1 18 TRP CA C -2.055 7.363 2.062 1.00 . A A . 18 TRP CA 1 1 15 7593 1 1 18 TRP CB C -2.728 8.684 1.707 1.00 . A A . 18 TRP CB 1 1 15 7594 1 1 18 TRP CD1 C -5.149 8.627 0.864 1.00 . A A . 18 TRP CD1 1 1 15 7595 1 1 18 TRP CD2 C -3.630 8.024 -0.650 1.00 . A A . 18 TRP CD2 1 1 15 7596 1 1 18 TRP CE2 C -4.896 7.942 -1.240 1.00 . A A . 18 TRP CE2 1 1 15 7597 1 1 18 TRP CE3 C -2.513 7.687 -1.405 1.00 . A A . 18 TRP CE3 1 1 15 7598 1 1 18 TRP CG C -3.808 8.481 0.689 1.00 . A A . 18 TRP CG 1 1 15 7599 1 1 18 TRP CH2 C -3.966 7.206 -3.271 1.00 . A A . 18 TRP CH2 1 1 15 7600 1 1 18 TRP CZ2 C -5.077 7.535 -2.555 1.00 . A A . 18 TRP CZ2 1 1 15 7601 1 1 18 TRP CZ3 C -2.691 7.278 -2.708 1.00 . A A . 18 TRP CZ3 1 1 15 7602 1 1 18 TRP H H -3.233 5.681 2.525 1.00 . A A . 18 TRP H 1 1 15 7603 1 1 18 TRP HA H -1.870 6.821 1.143 1.00 . A A . 18 TRP HA 1 1 15 7604 1 1 18 TRP HB2 H -3.169 9.113 2.594 1.00 . A A . 18 TRP HB2 1 1 15 7605 1 1 18 TRP HB3 H -1.996 9.365 1.296 1.00 . A A . 18 TRP HB3 1 1 15 7606 1 1 18 TRP HD1 H -5.610 8.940 1.783 1.00 . A A . 18 TRP HD1 1 1 15 7607 1 1 18 TRP HE1 H -6.783 8.359 -0.427 1.00 . A A . 18 TRP HE1 1 1 15 7608 1 1 18 TRP HE3 H -1.525 7.727 -0.977 1.00 . A A . 18 TRP HE3 1 1 15 7609 1 1 18 TRP HH2 H -4.062 6.868 -4.287 1.00 . A A . 18 TRP HH2 1 1 15 7610 1 1 18 TRP HZ2 H -6.058 7.475 -3.006 1.00 . A A . 18 TRP HZ2 1 1 15 7611 1 1 18 TRP HZ3 H -1.836 7.010 -3.309 1.00 . A A . 18 TRP HZ3 1 1 15 7612 1 1 18 TRP N N -2.954 6.549 2.870 1.00 . A A . 18 TRP N 1 1 15 7613 1 1 18 TRP NE1 N -5.812 8.318 -0.296 1.00 . A A . 18 TRP NE1 1 1 15 7614 1 1 18 TRP O O 0.297 7.064 2.245 1.00 . A A . 18 TRP O 1 1 15 7615 1 1 19 GLY C C 1.232 7.061 4.824 1.00 . A A . 19 GLY C 1 1 15 7616 1 1 19 GLY CA C 0.580 8.405 4.550 1.00 . A A . 19 GLY CA 1 1 15 7617 1 1 19 GLY H H -1.513 8.598 4.255 1.00 . A A . 19 GLY H 1 1 15 7618 1 1 19 GLY HA2 H 1.235 8.985 3.911 1.00 . A A . 19 GLY HA2 1 1 15 7619 1 1 19 GLY HA3 H 0.427 8.928 5.480 1.00 . A A . 19 GLY HA3 1 1 15 7620 1 1 19 GLY N N -0.685 8.236 3.873 1.00 . A A . 19 GLY N 1 1 15 7621 1 1 19 GLY O O 2.456 6.963 4.922 1.00 . A A . 19 GLY O 1 1 15 7622 1 1 20 GLU C C 1.436 4.114 3.826 1.00 . A A . 20 GLU C 1 1 15 7623 1 1 20 GLU CA C 0.893 4.662 5.134 1.00 . A A . 20 GLU CA 1 1 15 7624 1 1 20 GLU CB C -0.218 3.751 5.667 1.00 . A A . 20 GLU CB 1 1 15 7625 1 1 20 GLU CD C -1.425 3.369 7.861 1.00 . A A . 20 GLU CD 1 1 15 7626 1 1 20 GLU CG C -0.086 3.456 7.155 1.00 . A A . 20 GLU CG 1 1 15 7627 1 1 20 GLU H H -0.559 6.162 4.803 1.00 . A A . 20 GLU H 1 1 15 7628 1 1 20 GLU HA H 1.695 4.707 5.857 1.00 . A A . 20 GLU HA 1 1 15 7629 1 1 20 GLU HB2 H -1.180 4.219 5.494 1.00 . A A . 20 GLU HB2 1 1 15 7630 1 1 20 GLU HB3 H -0.187 2.804 5.130 1.00 . A A . 20 GLU HB3 1 1 15 7631 1 1 20 GLU HG2 H 0.429 2.514 7.277 1.00 . A A . 20 GLU HG2 1 1 15 7632 1 1 20 GLU HG3 H 0.496 4.242 7.614 1.00 . A A . 20 GLU HG3 1 1 15 7633 1 1 20 GLU N N 0.402 6.017 4.914 1.00 . A A . 20 GLU N 1 1 15 7634 1 1 20 GLU O O 2.510 3.514 3.783 1.00 . A A . 20 GLU O 1 1 15 7635 1 1 20 GLU OE1 O -2.444 3.146 7.177 1.00 . A A . 20 GLU OE1 1 1 15 7636 1 1 20 GLU OE2 O -1.455 3.532 9.098 1.00 . A A . 20 GLU OE2 1 1 15 7637 1 1 21 ALA C C 2.272 4.708 0.958 1.00 . A A . 21 ALA C 1 1 15 7638 1 1 21 ALA CA C 1.068 3.917 1.428 1.00 . A A . 21 ALA CA 1 1 15 7639 1 1 21 ALA CB C -0.084 4.133 0.476 1.00 . A A . 21 ALA CB 1 1 15 7640 1 1 21 ALA H H -0.161 4.850 2.865 1.00 . A A . 21 ALA H 1 1 15 7641 1 1 21 ALA HA H 1.307 2.864 1.459 1.00 . A A . 21 ALA HA 1 1 15 7642 1 1 21 ALA HB1 H -0.984 3.722 0.903 1.00 . A A . 21 ALA HB1 1 1 15 7643 1 1 21 ALA HB2 H 0.129 3.650 -0.463 1.00 . A A . 21 ALA HB2 1 1 15 7644 1 1 21 ALA HB3 H -0.212 5.195 0.321 1.00 . A A . 21 ALA HB3 1 1 15 7645 1 1 21 ALA N N 0.682 4.353 2.757 1.00 . A A . 21 ALA N 1 1 15 7646 1 1 21 ALA O O 3.177 4.174 0.319 1.00 . A A . 21 ALA O 1 1 15 7647 1 1 22 PHE C C 4.663 6.310 1.573 1.00 . A A . 22 PHE C 1 1 15 7648 1 1 22 PHE CA C 3.390 6.863 0.964 1.00 . A A . 22 PHE CA 1 1 15 7649 1 1 22 PHE CB C 3.131 8.272 1.502 1.00 . A A . 22 PHE CB 1 1 15 7650 1 1 22 PHE CD1 C 5.425 9.275 1.683 1.00 . A A . 22 PHE CD1 1 1 15 7651 1 1 22 PHE CD2 C 3.907 10.196 0.092 1.00 . A A . 22 PHE CD2 1 1 15 7652 1 1 22 PHE CE1 C 6.389 10.186 1.296 1.00 . A A . 22 PHE CE1 1 1 15 7653 1 1 22 PHE CE2 C 4.867 11.112 -0.299 1.00 . A A . 22 PHE CE2 1 1 15 7654 1 1 22 PHE CG C 4.175 9.270 1.086 1.00 . A A . 22 PHE CG 1 1 15 7655 1 1 22 PHE CZ C 6.109 11.106 0.305 1.00 . A A . 22 PHE CZ 1 1 15 7656 1 1 22 PHE H H 1.547 6.342 1.847 1.00 . A A . 22 PHE H 1 1 15 7657 1 1 22 PHE HA H 3.484 6.894 -0.114 1.00 . A A . 22 PHE HA 1 1 15 7658 1 1 22 PHE HB2 H 2.174 8.619 1.144 1.00 . A A . 22 PHE HB2 1 1 15 7659 1 1 22 PHE HB3 H 3.113 8.236 2.584 1.00 . A A . 22 PHE HB3 1 1 15 7660 1 1 22 PHE HD1 H 5.645 8.554 2.457 1.00 . A A . 22 PHE HD1 1 1 15 7661 1 1 22 PHE HD2 H 2.936 10.201 -0.381 1.00 . A A . 22 PHE HD2 1 1 15 7662 1 1 22 PHE HE1 H 7.361 10.180 1.769 1.00 . A A . 22 PHE HE1 1 1 15 7663 1 1 22 PHE HE2 H 4.645 11.830 -1.074 1.00 . A A . 22 PHE HE2 1 1 15 7664 1 1 22 PHE HZ H 6.861 11.819 0.000 1.00 . A A . 22 PHE HZ 1 1 15 7665 1 1 22 PHE N N 2.289 5.986 1.315 1.00 . A A . 22 PHE N 1 1 15 7666 1 1 22 PHE O O 5.727 6.320 0.957 1.00 . A A . 22 PHE O 1 1 15 7667 1 1 23 SER C C 6.007 3.868 2.879 1.00 . A A . 23 SER C 1 1 15 7668 1 1 23 SER CA C 5.628 5.198 3.513 1.00 . A A . 23 SER CA 1 1 15 7669 1 1 23 SER CB C 5.258 4.990 4.983 1.00 . A A . 23 SER CB 1 1 15 7670 1 1 23 SER H H 3.620 5.808 3.196 1.00 . A A . 23 SER H 1 1 15 7671 1 1 23 SER HA H 6.475 5.869 3.447 1.00 . A A . 23 SER HA 1 1 15 7672 1 1 23 SER HB2 H 4.186 4.893 5.073 1.00 . A A . 23 SER HB2 1 1 15 7673 1 1 23 SER HB3 H 5.731 4.091 5.346 1.00 . A A . 23 SER HB3 1 1 15 7674 1 1 23 SER HG H 6.395 5.800 6.358 1.00 . A A . 23 SER HG 1 1 15 7675 1 1 23 SER N N 4.518 5.801 2.788 1.00 . A A . 23 SER N 1 1 15 7676 1 1 23 SER O O 7.162 3.449 2.926 1.00 . A A . 23 SER O 1 1 15 7677 1 1 23 SER OG O 5.684 6.082 5.779 1.00 . A A . 23 SER OG 1 1 15 7678 1 1 24 ALA C C 5.961 2.107 0.312 1.00 . A A . 24 ALA C 1 1 15 7679 1 1 24 ALA CA C 5.246 1.918 1.642 1.00 . A A . 24 ALA CA 1 1 15 7680 1 1 24 ALA CB C 3.927 1.195 1.429 1.00 . A A . 24 ALA CB 1 1 15 7681 1 1 24 ALA H H 4.116 3.590 2.283 1.00 . A A . 24 ALA H 1 1 15 7682 1 1 24 ALA HA H 5.863 1.317 2.294 1.00 . A A . 24 ALA HA 1 1 15 7683 1 1 24 ALA HB1 H 3.486 1.522 0.499 1.00 . A A . 24 ALA HB1 1 1 15 7684 1 1 24 ALA HB2 H 3.257 1.422 2.245 1.00 . A A . 24 ALA HB2 1 1 15 7685 1 1 24 ALA HB3 H 4.101 0.130 1.390 1.00 . A A . 24 ALA HB3 1 1 15 7686 1 1 24 ALA N N 5.019 3.203 2.286 1.00 . A A . 24 ALA N 1 1 15 7687 1 1 24 ALA O O 6.952 1.437 0.023 1.00 . A A . 24 ALA O 1 1 15 7688 1 1 25 GLY C C 7.459 3.847 -1.657 1.00 . A A . 25 GLY C 1 1 15 7689 1 1 25 GLY CA C 6.051 3.301 -1.780 1.00 . A A . 25 GLY CA 1 1 15 7690 1 1 25 GLY H H 4.659 3.532 -0.204 1.00 . A A . 25 GLY H 1 1 15 7691 1 1 25 GLY HA2 H 6.079 2.383 -2.353 1.00 . A A . 25 GLY HA2 1 1 15 7692 1 1 25 GLY HA3 H 5.441 4.023 -2.306 1.00 . A A . 25 GLY HA3 1 1 15 7693 1 1 25 GLY N N 5.450 3.030 -0.491 1.00 . A A . 25 GLY N 1 1 15 7694 1 1 25 GLY O O 8.339 3.471 -2.422 1.00 . A A . 25 GLY O 1 1 15 7695 1 1 26 VAL C C 10.011 4.289 -0.076 1.00 . A A . 26 VAL C 1 1 15 7696 1 1 26 VAL CA C 8.993 5.337 -0.498 1.00 . A A . 26 VAL CA 1 1 15 7697 1 1 26 VAL CB C 8.950 6.455 0.570 1.00 . A A . 26 VAL CB 1 1 15 7698 1 1 26 VAL CG1 C 10.338 7.025 0.814 1.00 . A A . 26 VAL CG1 1 1 15 7699 1 1 26 VAL CG2 C 7.987 7.555 0.159 1.00 . A A . 26 VAL CG2 1 1 15 7700 1 1 26 VAL H H 6.932 5.012 -0.117 1.00 . A A . 26 VAL H 1 1 15 7701 1 1 26 VAL HA H 9.318 5.768 -1.439 1.00 . A A . 26 VAL HA 1 1 15 7702 1 1 26 VAL HB H 8.593 6.025 1.500 1.00 . A A . 26 VAL HB 1 1 15 7703 1 1 26 VAL HG11 H 10.360 8.064 0.521 1.00 . A A . 26 VAL HG11 1 1 15 7704 1 1 26 VAL HG12 H 11.058 6.474 0.229 1.00 . A A . 26 VAL HG12 1 1 15 7705 1 1 26 VAL HG13 H 10.584 6.941 1.862 1.00 . A A . 26 VAL HG13 1 1 15 7706 1 1 26 VAL HG21 H 7.505 7.957 1.037 1.00 . A A . 26 VAL HG21 1 1 15 7707 1 1 26 VAL HG22 H 7.242 7.151 -0.508 1.00 . A A . 26 VAL HG22 1 1 15 7708 1 1 26 VAL HG23 H 8.533 8.340 -0.343 1.00 . A A . 26 VAL HG23 1 1 15 7709 1 1 26 VAL N N 7.674 4.741 -0.699 1.00 . A A . 26 VAL N 1 1 15 7710 1 1 26 VAL O O 11.155 4.312 -0.526 1.00 . A A . 26 VAL O 1 1 15 7711 1 1 27 HIS C C 10.951 1.489 0.041 1.00 . A A . 27 HIS C 1 1 15 7712 1 1 27 HIS CA C 10.498 2.320 1.232 1.00 . A A . 27 HIS CA 1 1 15 7713 1 1 27 HIS CB C 9.810 1.436 2.275 1.00 . A A . 27 HIS CB 1 1 15 7714 1 1 27 HIS CD2 C 9.125 1.699 4.758 1.00 . A A . 27 HIS CD2 1 1 15 7715 1 1 27 HIS CE1 C 9.224 3.882 4.869 1.00 . A A . 27 HIS CE1 1 1 15 7716 1 1 27 HIS CG C 9.498 2.157 3.540 1.00 . A A . 27 HIS CG 1 1 15 7717 1 1 27 HIS H H 8.675 3.385 1.103 1.00 . A A . 27 HIS H 1 1 15 7718 1 1 27 HIS HA H 11.363 2.793 1.681 1.00 . A A . 27 HIS HA 1 1 15 7719 1 1 27 HIS HB2 H 8.882 1.065 1.870 1.00 . A A . 27 HIS HB2 1 1 15 7720 1 1 27 HIS HB3 H 10.453 0.605 2.517 1.00 . A A . 27 HIS HB3 1 1 15 7721 1 1 27 HIS HD1 H 9.793 4.148 2.929 1.00 . A A . 27 HIS HD1 1 1 15 7722 1 1 27 HIS HD2 H 8.986 0.665 5.040 1.00 . A A . 27 HIS HD2 1 1 15 7723 1 1 27 HIS HE1 H 9.173 4.890 5.233 1.00 . A A . 27 HIS HE1 1 1 15 7724 1 1 27 HIS HE2 H 8.799 2.769 6.534 1.00 . A A . 27 HIS HE2 1 1 15 7725 1 1 27 HIS N N 9.598 3.366 0.778 1.00 . A A . 27 HIS N 1 1 15 7726 1 1 27 HIS ND1 N 9.550 3.526 3.646 1.00 . A A . 27 HIS ND1 1 1 15 7727 1 1 27 HIS NE2 N 8.961 2.794 5.568 1.00 . A A . 27 HIS NE2 1 1 15 7728 1 1 27 HIS O O 12.092 1.048 -0.025 1.00 . A A . 27 HIS O 1 1 15 7729 1 1 28 ARG C C 11.214 1.357 -3.073 1.00 . A A . 28 ARG C 1 1 15 7730 1 1 28 ARG CA C 10.343 0.544 -2.112 1.00 . A A . 28 ARG CA 1 1 15 7731 1 1 28 ARG CB C 9.047 0.124 -2.808 1.00 . A A . 28 ARG CB 1 1 15 7732 1 1 28 ARG CD C 7.111 -1.481 -2.842 1.00 . A A . 28 ARG CD 1 1 15 7733 1 1 28 ARG CG C 8.223 -0.869 -2.006 1.00 . A A . 28 ARG CG 1 1 15 7734 1 1 28 ARG CZ C 6.338 -3.717 -3.536 1.00 . A A . 28 ARG CZ 1 1 15 7735 1 1 28 ARG H H 9.150 1.690 -0.797 1.00 . A A . 28 ARG H 1 1 15 7736 1 1 28 ARG HA H 10.887 -0.343 -1.818 1.00 . A A . 28 ARG HA 1 1 15 7737 1 1 28 ARG HB2 H 8.444 1.003 -2.984 1.00 . A A . 28 ARG HB2 1 1 15 7738 1 1 28 ARG HB3 H 9.291 -0.329 -3.757 1.00 . A A . 28 ARG HB3 1 1 15 7739 1 1 28 ARG HD2 H 6.160 -1.209 -2.408 1.00 . A A . 28 ARG HD2 1 1 15 7740 1 1 28 ARG HD3 H 7.173 -1.087 -3.847 1.00 . A A . 28 ARG HD3 1 1 15 7741 1 1 28 ARG HE H 7.960 -3.357 -2.429 1.00 . A A . 28 ARG HE 1 1 15 7742 1 1 28 ARG HG2 H 8.871 -1.659 -1.655 1.00 . A A . 28 ARG HG2 1 1 15 7743 1 1 28 ARG HG3 H 7.787 -0.358 -1.160 1.00 . A A . 28 ARG HG3 1 1 15 7744 1 1 28 ARG HH11 H 5.173 -2.194 -4.179 1.00 . A A . 28 ARG HH11 1 1 15 7745 1 1 28 ARG HH12 H 4.656 -3.777 -4.655 1.00 . A A . 28 ARG HH12 1 1 15 7746 1 1 28 ARG HH21 H 7.281 -5.438 -3.054 1.00 . A A . 28 ARG HH21 1 1 15 7747 1 1 28 ARG HH22 H 5.853 -5.618 -4.016 1.00 . A A . 28 ARG HH22 1 1 15 7748 1 1 28 ARG N N 10.043 1.299 -0.906 1.00 . A A . 28 ARG N 1 1 15 7749 1 1 28 ARG NE N 7.207 -2.938 -2.895 1.00 . A A . 28 ARG NE 1 1 15 7750 1 1 28 ARG NH1 N 5.305 -3.186 -4.175 1.00 . A A . 28 ARG NH1 1 1 15 7751 1 1 28 ARG NH2 N 6.505 -5.032 -3.535 1.00 . A A . 28 ARG NH2 1 1 15 7752 1 1 28 ARG O O 12.207 0.856 -3.599 1.00 . A A . 28 ARG O 1 1 15 7753 1 1 29 LEU C C 12.874 3.955 -3.639 1.00 . A A . 29 LEU C 1 1 15 7754 1 1 29 LEU CA C 11.547 3.495 -4.218 1.00 . A A . 29 LEU CA 1 1 15 7755 1 1 29 LEU CB C 10.705 4.723 -4.552 1.00 . A A . 29 LEU CB 1 1 15 7756 1 1 29 LEU CD1 C 8.577 5.685 -5.435 1.00 . A A . 29 LEU CD1 1 1 15 7757 1 1 29 LEU CD2 C 9.114 3.272 -5.820 1.00 . A A . 29 LEU CD2 1 1 15 7758 1 1 29 LEU CG C 9.240 4.445 -4.865 1.00 . A A . 29 LEU CG 1 1 15 7759 1 1 29 LEU H H 10.019 2.951 -2.859 1.00 . A A . 29 LEU H 1 1 15 7760 1 1 29 LEU HA H 11.731 2.952 -5.121 1.00 . A A . 29 LEU HA 1 1 15 7761 1 1 29 LEU HB2 H 10.747 5.400 -3.712 1.00 . A A . 29 LEU HB2 1 1 15 7762 1 1 29 LEU HB3 H 11.145 5.213 -5.409 1.00 . A A . 29 LEU HB3 1 1 15 7763 1 1 29 LEU HD11 H 7.534 5.699 -5.155 1.00 . A A . 29 LEU HD11 1 1 15 7764 1 1 29 LEU HD12 H 8.662 5.677 -6.511 1.00 . A A . 29 LEU HD12 1 1 15 7765 1 1 29 LEU HD13 H 9.068 6.562 -5.041 1.00 . A A . 29 LEU HD13 1 1 15 7766 1 1 29 LEU HD21 H 8.235 3.395 -6.432 1.00 . A A . 29 LEU HD21 1 1 15 7767 1 1 29 LEU HD22 H 9.035 2.358 -5.250 1.00 . A A . 29 LEU HD22 1 1 15 7768 1 1 29 LEU HD23 H 9.990 3.228 -6.448 1.00 . A A . 29 LEU HD23 1 1 15 7769 1 1 29 LEU HG H 8.731 4.187 -3.955 1.00 . A A . 29 LEU HG 1 1 15 7770 1 1 29 LEU N N 10.821 2.611 -3.307 1.00 . A A . 29 LEU N 1 1 15 7771 1 1 29 LEU O O 13.923 3.859 -4.275 1.00 . A A . 29 LEU O 1 1 15 7772 1 1 30 ALA C C 14.971 3.982 -1.335 1.00 . A A . 30 ALA C 1 1 15 7773 1 1 30 ALA CA C 13.952 5.046 -1.750 1.00 . A A . 30 ALA CA 1 1 15 7774 1 1 30 ALA CB C 13.481 5.824 -0.536 1.00 . A A . 30 ALA CB 1 1 15 7775 1 1 30 ALA H H 11.906 4.570 -2.024 1.00 . A A . 30 ALA H 1 1 15 7776 1 1 30 ALA HA H 14.433 5.743 -2.417 1.00 . A A . 30 ALA HA 1 1 15 7777 1 1 30 ALA HB1 H 14.277 6.460 -0.181 1.00 . A A . 30 ALA HB1 1 1 15 7778 1 1 30 ALA HB2 H 13.195 5.133 0.244 1.00 . A A . 30 ALA HB2 1 1 15 7779 1 1 30 ALA HB3 H 12.630 6.429 -0.809 1.00 . A A . 30 ALA HB3 1 1 15 7780 1 1 30 ALA N N 12.792 4.499 -2.442 1.00 . A A . 30 ALA N 1 1 15 7781 1 1 30 ALA O O 16.088 4.320 -0.944 1.00 . A A . 30 ALA O 1 1 15 7782 1 1 31 ASN C C 16.436 1.260 -2.200 1.00 . A A . 31 ASN C 1 1 15 7783 1 1 31 ASN CA C 15.530 1.642 -1.034 1.00 . A A . 31 ASN CA 1 1 15 7784 1 1 31 ASN CB C 14.777 0.409 -0.532 1.00 . A A . 31 ASN CB 1 1 15 7785 1 1 31 ASN CG C 15.714 -0.687 -0.061 1.00 . A A . 31 ASN CG 1 1 15 7786 1 1 31 ASN H H 13.703 2.480 -1.728 1.00 . A A . 31 ASN H 1 1 15 7787 1 1 31 ASN HA H 16.147 2.021 -0.233 1.00 . A A . 31 ASN HA 1 1 15 7788 1 1 31 ASN HB2 H 14.150 0.693 0.297 1.00 . A A . 31 ASN HB2 1 1 15 7789 1 1 31 ASN HB3 H 14.162 0.016 -1.331 1.00 . A A . 31 ASN HB3 1 1 15 7790 1 1 31 ASN HD21 H 14.166 -1.778 0.543 1.00 . A A . 31 ASN HD21 1 1 15 7791 1 1 31 ASN HD22 H 15.724 -2.482 0.794 1.00 . A A . 31 ASN HD22 1 1 15 7792 1 1 31 ASN N N 14.603 2.708 -1.413 1.00 . A A . 31 ASN N 1 1 15 7793 1 1 31 ASN ND2 N 15.144 -1.757 0.480 1.00 . A A . 31 ASN ND2 1 1 15 7794 1 1 31 ASN O O 17.625 1.002 -2.014 1.00 . A A . 31 ASN O 1 1 15 7795 1 1 31 ASN OD1 O 16.934 -0.571 -0.178 1.00 . A A . 31 ASN OD1 1 1 15 7796 1 1 32 GLY C C 16.655 -0.636 -4.825 1.00 . A A . 32 GLY C 1 1 15 7797 1 1 32 GLY CA C 16.640 0.860 -4.575 1.00 . A A . 32 GLY CA 1 1 15 7798 1 1 32 GLY H H 14.913 1.428 -3.487 1.00 . A A . 32 GLY H 1 1 15 7799 1 1 32 GLY HA2 H 16.213 1.354 -5.436 1.00 . A A . 32 GLY HA2 1 1 15 7800 1 1 32 GLY HA3 H 17.656 1.202 -4.445 1.00 . A A . 32 GLY HA3 1 1 15 7801 1 1 32 GLY N N 15.867 1.218 -3.400 1.00 . A A . 32 GLY N 1 1 15 7802 1 1 32 GLY O O 16.016 -1.122 -5.758 1.00 . A A . 32 GLY O 1 1 15 7803 1 1 33 GLY C C 18.856 -3.293 -4.484 1.00 . A A . 33 GLY C 1 1 15 7804 1 1 33 GLY CA C 17.458 -2.813 -4.138 1.00 . A A . 33 GLY CA 1 1 15 7805 1 1 33 GLY H H 17.867 -0.930 -3.258 1.00 . A A . 33 GLY H 1 1 15 7806 1 1 33 GLY HA2 H 17.151 -3.279 -3.214 1.00 . A A . 33 GLY HA2 1 1 15 7807 1 1 33 GLY HA3 H 16.781 -3.118 -4.924 1.00 . A A . 33 GLY HA3 1 1 15 7808 1 1 33 GLY N N 17.381 -1.370 -3.987 1.00 . A A . 33 GLY N 1 1 15 7809 1 1 33 GLY O O 19.021 -4.329 -5.128 1.00 . A A . 33 GLY O 1 1 15 7810 1 1 34 ASN C C 21.826 -3.745 -3.200 1.00 . A A . 34 ASN C 1 1 15 7811 1 1 34 ASN CA C 21.250 -2.899 -4.330 1.00 . A A . 34 ASN CA 1 1 15 7812 1 1 34 ASN CB C 22.100 -1.640 -4.528 1.00 . A A . 34 ASN CB 1 1 15 7813 1 1 34 ASN CG C 22.080 -1.151 -5.963 1.00 . A A . 34 ASN CG 1 1 15 7814 1 1 34 ASN H H 19.671 -1.724 -3.550 1.00 . A A . 34 ASN H 1 1 15 7815 1 1 34 ASN HA H 21.267 -3.478 -5.239 1.00 . A A . 34 ASN HA 1 1 15 7816 1 1 34 ASN HB2 H 21.722 -0.853 -3.893 1.00 . A A . 34 ASN HB2 1 1 15 7817 1 1 34 ASN HB3 H 23.123 -1.858 -4.254 1.00 . A A . 34 ASN HB3 1 1 15 7818 1 1 34 ASN HD21 H 23.933 -0.448 -5.778 1.00 . A A . 34 ASN HD21 1 1 15 7819 1 1 34 ASN HD22 H 23.192 -0.217 -7.322 1.00 . A A . 34 ASN HD22 1 1 15 7820 1 1 34 ASN N N 19.864 -2.539 -4.058 1.00 . A A . 34 ASN N 1 1 15 7821 1 1 34 ASN ND2 N 23.179 -0.544 -6.398 1.00 . A A . 34 ASN ND2 1 1 15 7822 1 1 34 ASN O O 22.432 -3.222 -2.264 1.00 . A A . 34 ASN O 1 1 15 7823 1 1 34 ASN OD1 O 21.088 -1.315 -6.674 1.00 . A A . 34 ASN OD1 1 1 15 7824 1 1 35 GLY C C 21.036 -6.589 -1.452 1.00 . A A . 35 GLY C 1 1 15 7825 1 1 35 GLY CA C 22.143 -5.957 -2.273 1.00 . A A . 35 GLY CA 1 1 15 7826 1 1 35 GLY H H 21.145 -5.417 -4.063 1.00 . A A . 35 GLY H 1 1 15 7827 1 1 35 GLY HA2 H 22.712 -6.741 -2.751 1.00 . A A . 35 GLY HA2 1 1 15 7828 1 1 35 GLY HA3 H 22.796 -5.406 -1.613 1.00 . A A . 35 GLY HA3 1 1 15 7829 1 1 35 GLY N N 21.634 -5.058 -3.294 1.00 . A A . 35 GLY N 1 1 15 7830 1 1 35 GLY O O 19.854 -6.386 -1.728 1.00 . A A . 35 GLY O 1 1 15 7831 1 1 36 PHE C C 19.385 -8.743 -0.377 1.00 . A A . 36 PHE C 1 1 15 7832 1 1 36 PHE CA C 20.459 -8.025 0.437 1.00 . A A . 36 PHE CA 1 1 15 7833 1 1 36 PHE CB C 19.808 -7.014 1.382 1.00 . A A . 36 PHE CB 1 1 15 7834 1 1 36 PHE CD1 C 21.021 -7.436 3.539 1.00 . A A . 36 PHE CD1 1 1 15 7835 1 1 36 PHE CD2 C 21.240 -5.292 2.516 1.00 . A A . 36 PHE CD2 1 1 15 7836 1 1 36 PHE CE1 C 21.851 -7.033 4.568 1.00 . A A . 36 PHE CE1 1 1 15 7837 1 1 36 PHE CE2 C 22.071 -4.884 3.542 1.00 . A A . 36 PHE CE2 1 1 15 7838 1 1 36 PHE CG C 20.707 -6.571 2.502 1.00 . A A . 36 PHE CG 1 1 15 7839 1 1 36 PHE CZ C 22.377 -5.756 4.569 1.00 . A A . 36 PHE CZ 1 1 15 7840 1 1 36 PHE H H 22.379 -7.476 -0.265 1.00 . A A . 36 PHE H 1 1 15 7841 1 1 36 PHE HA H 20.998 -8.755 1.023 1.00 . A A . 36 PHE HA 1 1 15 7842 1 1 36 PHE HB2 H 19.521 -6.139 0.821 1.00 . A A . 36 PHE HB2 1 1 15 7843 1 1 36 PHE HB3 H 18.927 -7.460 1.819 1.00 . A A . 36 PHE HB3 1 1 15 7844 1 1 36 PHE HD1 H 20.611 -8.435 3.538 1.00 . A A . 36 PHE HD1 1 1 15 7845 1 1 36 PHE HD2 H 21.001 -4.609 1.714 1.00 . A A . 36 PHE HD2 1 1 15 7846 1 1 36 PHE HE1 H 22.089 -7.716 5.369 1.00 . A A . 36 PHE HE1 1 1 15 7847 1 1 36 PHE HE2 H 22.480 -3.884 3.541 1.00 . A A . 36 PHE HE2 1 1 15 7848 1 1 36 PHE HZ H 23.026 -5.439 5.372 1.00 . A A . 36 PHE HZ 1 1 15 7849 1 1 36 PHE N N 21.422 -7.356 -0.435 1.00 . A A . 36 PHE N 1 1 15 7850 1 1 36 PHE O O 18.191 -8.488 -0.213 1.00 . A A . 36 PHE O 1 1 15 7851 1 1 37 TRP C C 18.207 -11.504 -1.285 1.00 . A A . 37 TRP C 1 1 15 7852 1 1 37 TRP CA C 18.890 -10.402 -2.089 1.00 . A A . 37 TRP CA 1 1 15 7853 1 1 37 TRP CB C 19.630 -11.009 -3.282 1.00 . A A . 37 TRP CB 1 1 15 7854 1 1 37 TRP CD1 C 18.467 -10.041 -5.350 1.00 . A A . 37 TRP CD1 1 1 15 7855 1 1 37 TRP CD2 C 20.576 -9.342 -5.070 1.00 . A A . 37 TRP CD2 1 1 15 7856 1 1 37 TRP CE2 C 20.054 -8.742 -6.231 1.00 . A A . 37 TRP CE2 1 1 15 7857 1 1 37 TRP CE3 C 21.890 -9.052 -4.693 1.00 . A A . 37 TRP CE3 1 1 15 7858 1 1 37 TRP CG C 19.544 -10.169 -4.520 1.00 . A A . 37 TRP CG 1 1 15 7859 1 1 37 TRP CH2 C 22.084 -7.600 -6.624 1.00 . A A . 37 TRP CH2 1 1 15 7860 1 1 37 TRP CZ2 C 20.801 -7.866 -7.016 1.00 . A A . 37 TRP CZ2 1 1 15 7861 1 1 37 TRP CZ3 C 22.630 -8.183 -5.474 1.00 . A A . 37 TRP CZ3 1 1 15 7862 1 1 37 TRP H H 20.779 -9.809 -1.337 1.00 . A A . 37 TRP H 1 1 15 7863 1 1 37 TRP HA H 18.138 -9.718 -2.452 1.00 . A A . 37 TRP HA 1 1 15 7864 1 1 37 TRP HB2 H 20.673 -11.124 -3.030 1.00 . A A . 37 TRP HB2 1 1 15 7865 1 1 37 TRP HB3 H 19.208 -11.978 -3.504 1.00 . A A . 37 TRP HB3 1 1 15 7866 1 1 37 TRP HD1 H 17.523 -10.546 -5.204 1.00 . A A . 37 TRP HD1 1 1 15 7867 1 1 37 TRP HE1 H 18.156 -8.928 -7.102 1.00 . A A . 37 TRP HE1 1 1 15 7868 1 1 37 TRP HE3 H 22.329 -9.491 -3.809 1.00 . A A . 37 TRP HE3 1 1 15 7869 1 1 37 TRP HH2 H 22.699 -6.927 -7.204 1.00 . A A . 37 TRP HH2 1 1 15 7870 1 1 37 TRP HZ2 H 20.394 -7.408 -7.905 1.00 . A A . 37 TRP HZ2 1 1 15 7871 1 1 37 TRP HZ3 H 23.647 -7.947 -5.198 1.00 . A A . 37 TRP HZ3 1 1 15 7872 1 1 37 TRP N N 19.816 -9.646 -1.253 1.00 . A A . 37 TRP N 1 1 15 7873 1 1 37 TRP NE1 N 18.765 -9.183 -6.379 1.00 . A A . 37 TRP NE1 1 1 15 7874 1 1 37 TRP O O 16.958 -11.512 -1.236 1.00 . A A . 37 TRP O 1 1 15 7875 1 1 37 TRP OXT O 18.925 -12.348 -0.710 1.00 . A A . 37 TRP OXT 1 1 16 7876 1 1 1 LYS C C -6.529 -4.517 5.760 1.00 . A A . 1 LYS C 1 1 16 7877 1 1 1 LYS CA C -7.485 -5.355 6.587 1.00 . A A . 1 LYS CA 1 1 16 7878 1 1 1 LYS CB C -8.278 -6.273 5.653 1.00 . A A . 1 LYS CB 1 1 16 7879 1 1 1 LYS CD C -10.465 -6.451 4.424 1.00 . A A . 1 LYS CD 1 1 16 7880 1 1 1 LYS CE C -10.091 -7.360 3.263 1.00 . A A . 1 LYS CE 1 1 16 7881 1 1 1 LYS CG C -9.317 -5.538 4.825 1.00 . A A . 1 LYS CG 1 1 16 7882 1 1 1 LYS HA H -6.919 -5.954 7.283 1.00 . A A . 1 LYS HA 1 1 16 7883 1 1 1 LYS HB2 H -7.587 -6.752 4.973 1.00 . A A . 1 LYS HB2 1 1 16 7884 1 1 1 LYS HB3 H -8.779 -7.028 6.239 1.00 . A A . 1 LYS HB3 1 1 16 7885 1 1 1 LYS HD2 H -10.737 -7.063 5.270 1.00 . A A . 1 LYS HD2 1 1 16 7886 1 1 1 LYS HD3 H -11.308 -5.843 4.132 1.00 . A A . 1 LYS HD3 1 1 16 7887 1 1 1 LYS HE2 H -10.675 -7.078 2.400 1.00 . A A . 1 LYS HE2 1 1 16 7888 1 1 1 LYS HE3 H -9.041 -7.234 3.043 1.00 . A A . 1 LYS HE3 1 1 16 7889 1 1 1 LYS HG2 H -9.709 -4.716 5.406 1.00 . A A . 1 LYS HG2 1 1 16 7890 1 1 1 LYS HG3 H -8.843 -5.155 3.932 1.00 . A A . 1 LYS HG3 1 1 16 7891 1 1 1 LYS HZ1 H -9.646 -9.395 3.108 1.00 . A A . 1 LYS HZ1 1 1 16 7892 1 1 1 LYS HZ2 H -11.299 -9.064 3.239 1.00 . A A . 1 LYS HZ2 1 1 16 7893 1 1 1 LYS HZ3 H -10.304 -8.949 4.602 1.00 . A A . 1 LYS HZ3 1 1 16 7894 1 1 1 LYS N N -8.431 -4.499 7.351 1.00 . A A . 1 LYS N 1 1 16 7895 1 1 1 LYS NZ N -10.352 -8.793 3.574 1.00 . A A . 1 LYS NZ 1 1 16 7896 1 1 1 LYS O O -6.933 -3.906 4.772 1.00 . A A . 1 LYS O 1 1 16 7897 1 1 2 TYR C C -3.839 -4.507 4.178 1.00 . A A . 2 TYR C 1 1 16 7898 1 1 2 TYR CA C -4.272 -3.734 5.411 1.00 . A A . 2 TYR CA 1 1 16 7899 1 1 2 TYR CB C -3.048 -3.431 6.261 1.00 . A A . 2 TYR CB 1 1 16 7900 1 1 2 TYR CD1 C -3.416 -1.056 6.883 1.00 . A A . 2 TYR CD1 1 1 16 7901 1 1 2 TYR CD2 C -1.592 -1.539 5.451 1.00 . A A . 2 TYR CD2 1 1 16 7902 1 1 2 TYR CE1 C -3.104 0.285 6.838 1.00 . A A . 2 TYR CE1 1 1 16 7903 1 1 2 TYR CE2 C -1.273 -0.202 5.393 1.00 . A A . 2 TYR CE2 1 1 16 7904 1 1 2 TYR CG C -2.667 -1.983 6.202 1.00 . A A . 2 TYR CG 1 1 16 7905 1 1 2 TYR CZ C -2.029 0.707 6.090 1.00 . A A . 2 TYR CZ 1 1 16 7906 1 1 2 TYR H H -4.987 -5.002 6.939 1.00 . A A . 2 TYR H 1 1 16 7907 1 1 2 TYR HA H -4.726 -2.798 5.112 1.00 . A A . 2 TYR HA 1 1 16 7908 1 1 2 TYR HB2 H -3.256 -3.679 7.289 1.00 . A A . 2 TYR HB2 1 1 16 7909 1 1 2 TYR HB3 H -2.210 -4.011 5.909 1.00 . A A . 2 TYR HB3 1 1 16 7910 1 1 2 TYR HD1 H -4.262 -1.400 7.454 1.00 . A A . 2 TYR HD1 1 1 16 7911 1 1 2 TYR HD2 H -0.994 -2.253 4.912 1.00 . A A . 2 TYR HD2 1 1 16 7912 1 1 2 TYR HE1 H -3.700 0.992 7.386 1.00 . A A . 2 TYR HE1 1 1 16 7913 1 1 2 TYR HE2 H -0.440 0.124 4.797 1.00 . A A . 2 TYR HE2 1 1 16 7914 1 1 2 TYR HH H -2.502 2.571 6.164 1.00 . A A . 2 TYR HH 1 1 16 7915 1 1 2 TYR N N -5.259 -4.497 6.149 1.00 . A A . 2 TYR N 1 1 16 7916 1 1 2 TYR O O -3.627 -5.719 4.235 1.00 . A A . 2 TYR O 1 1 16 7917 1 1 2 TYR OH O -1.711 2.045 6.033 1.00 . A A . 2 TYR OH 1 1 16 7918 1 1 3 TYR C C -1.811 -4.173 1.550 1.00 . A A . 3 TYR C 1 1 16 7919 1 1 3 TYR CA C -3.288 -4.440 1.825 1.00 . A A . 3 TYR CA 1 1 16 7920 1 1 3 TYR CB C -4.157 -3.925 0.674 1.00 . A A . 3 TYR CB 1 1 16 7921 1 1 3 TYR CD1 C -5.412 -6.007 0.011 1.00 . A A . 3 TYR CD1 1 1 16 7922 1 1 3 TYR CD2 C -6.673 -4.152 0.808 1.00 . A A . 3 TYR CD2 1 1 16 7923 1 1 3 TYR CE1 C -6.576 -6.732 -0.151 1.00 . A A . 3 TYR CE1 1 1 16 7924 1 1 3 TYR CE2 C -7.842 -4.870 0.647 1.00 . A A . 3 TYR CE2 1 1 16 7925 1 1 3 TYR CG C -5.439 -4.708 0.492 1.00 . A A . 3 TYR CG 1 1 16 7926 1 1 3 TYR CZ C -7.787 -6.161 0.168 1.00 . A A . 3 TYR CZ 1 1 16 7927 1 1 3 TYR H H -3.867 -2.836 3.090 1.00 . A A . 3 TYR H 1 1 16 7928 1 1 3 TYR HA H -3.437 -5.508 1.928 1.00 . A A . 3 TYR HA 1 1 16 7929 1 1 3 TYR HB2 H -4.423 -2.897 0.869 1.00 . A A . 3 TYR HB2 1 1 16 7930 1 1 3 TYR HB3 H -3.599 -3.984 -0.252 1.00 . A A . 3 TYR HB3 1 1 16 7931 1 1 3 TYR HD1 H -4.463 -6.451 -0.239 1.00 . A A . 3 TYR HD1 1 1 16 7932 1 1 3 TYR HD2 H -6.713 -3.147 1.186 1.00 . A A . 3 TYR HD2 1 1 16 7933 1 1 3 TYR HE1 H -6.534 -7.744 -0.525 1.00 . A A . 3 TYR HE1 1 1 16 7934 1 1 3 TYR HE2 H -8.793 -4.421 0.897 1.00 . A A . 3 TYR HE2 1 1 16 7935 1 1 3 TYR HH H -9.093 -7.044 -0.928 1.00 . A A . 3 TYR HH 1 1 16 7936 1 1 3 TYR N N -3.697 -3.806 3.072 1.00 . A A . 3 TYR N 1 1 16 7937 1 1 3 TYR O O -1.402 -4.013 0.400 1.00 . A A . 3 TYR O 1 1 16 7938 1 1 3 TYR OH O -8.946 -6.882 0.006 1.00 . A A . 3 TYR OH 1 1 16 7939 1 1 4 GLY C C 0.734 -2.766 1.485 1.00 . A A . 4 GLY C 1 1 16 7940 1 1 4 GLY CA C 0.411 -3.846 2.503 1.00 . A A . 4 GLY CA 1 1 16 7941 1 1 4 GLY H H -1.413 -4.225 3.515 1.00 . A A . 4 GLY H 1 1 16 7942 1 1 4 GLY HA2 H 0.787 -3.534 3.467 1.00 . A A . 4 GLY HA2 1 1 16 7943 1 1 4 GLY HA3 H 0.909 -4.764 2.214 1.00 . A A . 4 GLY HA3 1 1 16 7944 1 1 4 GLY N N -1.019 -4.104 2.625 1.00 . A A . 4 GLY N 1 1 16 7945 1 1 4 GLY O O 1.833 -2.733 0.930 1.00 . A A . 4 GLY O 1 1 16 7946 1 1 5 ASN C C -0.845 0.419 0.734 1.00 . A A . 5 ASN C 1 1 16 7947 1 1 5 ASN CA C -0.060 -0.802 0.281 1.00 . A A . 5 ASN CA 1 1 16 7948 1 1 5 ASN CB C -0.537 -1.239 -1.106 1.00 . A A . 5 ASN CB 1 1 16 7949 1 1 5 ASN CG C 0.396 -0.775 -2.204 1.00 . A A . 5 ASN CG 1 1 16 7950 1 1 5 ASN H H -1.083 -1.969 1.709 1.00 . A A . 5 ASN H 1 1 16 7951 1 1 5 ASN HA H 0.991 -0.551 0.234 1.00 . A A . 5 ASN HA 1 1 16 7952 1 1 5 ASN HB2 H -0.595 -2.316 -1.138 1.00 . A A . 5 ASN HB2 1 1 16 7953 1 1 5 ASN HB3 H -1.520 -0.824 -1.291 1.00 . A A . 5 ASN HB3 1 1 16 7954 1 1 5 ASN HD21 H -0.881 0.661 -2.711 1.00 . A A . 5 ASN HD21 1 1 16 7955 1 1 5 ASN HD22 H 0.573 0.585 -3.641 1.00 . A A . 5 ASN HD22 1 1 16 7956 1 1 5 ASN N N -0.230 -1.888 1.236 1.00 . A A . 5 ASN N 1 1 16 7957 1 1 5 ASN ND2 N -0.012 0.261 -2.926 1.00 . A A . 5 ASN ND2 1 1 16 7958 1 1 5 ASN O O -1.365 1.173 -0.088 1.00 . A A . 5 ASN O 1 1 16 7959 1 1 5 ASN OD1 O 1.470 -1.341 -2.401 1.00 . A A . 5 ASN OD1 1 1 16 7960 1 1 6 GLY C C -3.149 1.688 2.093 1.00 . A A . 6 GLY C 1 1 16 7961 1 1 6 GLY CA C -1.713 1.707 2.572 1.00 . A A . 6 GLY CA 1 1 16 7962 1 1 6 GLY H H -0.545 -0.055 2.656 1.00 . A A . 6 GLY H 1 1 16 7963 1 1 6 GLY HA2 H -1.699 1.665 3.651 1.00 . A A . 6 GLY HA2 1 1 16 7964 1 1 6 GLY HA3 H -1.251 2.624 2.250 1.00 . A A . 6 GLY HA3 1 1 16 7965 1 1 6 GLY N N -0.958 0.591 2.046 1.00 . A A . 6 GLY N 1 1 16 7966 1 1 6 GLY O O -3.672 2.705 1.656 1.00 . A A . 6 GLY O 1 1 16 7967 1 1 7 VAL C C -5.901 -0.625 2.613 1.00 . A A . 7 VAL C 1 1 16 7968 1 1 7 VAL CA C -5.174 0.383 1.745 1.00 . A A . 7 VAL CA 1 1 16 7969 1 1 7 VAL CB C -5.298 -0.067 0.279 1.00 . A A . 7 VAL CB 1 1 16 7970 1 1 7 VAL CG1 C -6.719 -0.500 -0.003 1.00 . A A . 7 VAL CG1 1 1 16 7971 1 1 7 VAL CG2 C -4.920 1.052 -0.668 1.00 . A A . 7 VAL CG2 1 1 16 7972 1 1 7 VAL H H -3.312 -0.255 2.530 1.00 . A A . 7 VAL H 1 1 16 7973 1 1 7 VAL HA H -5.663 1.342 1.843 1.00 . A A . 7 VAL HA 1 1 16 7974 1 1 7 VAL HB H -4.636 -0.904 0.113 1.00 . A A . 7 VAL HB 1 1 16 7975 1 1 7 VAL HG11 H -7.392 0.214 0.447 1.00 . A A . 7 VAL HG11 1 1 16 7976 1 1 7 VAL HG12 H -6.888 -1.476 0.420 1.00 . A A . 7 VAL HG12 1 1 16 7977 1 1 7 VAL HG13 H -6.881 -0.532 -1.070 1.00 . A A . 7 VAL HG13 1 1 16 7978 1 1 7 VAL HG21 H -4.255 0.673 -1.428 1.00 . A A . 7 VAL HG21 1 1 16 7979 1 1 7 VAL HG22 H -4.434 1.836 -0.117 1.00 . A A . 7 VAL HG22 1 1 16 7980 1 1 7 VAL HG23 H -5.818 1.437 -1.132 1.00 . A A . 7 VAL HG23 1 1 16 7981 1 1 7 VAL N N -3.786 0.526 2.172 1.00 . A A . 7 VAL N 1 1 16 7982 1 1 7 VAL O O -5.694 -1.830 2.482 1.00 . A A . 7 VAL O 1 1 16 7983 1 1 8 HIS C C -9.006 -0.958 3.947 1.00 . A A . 8 HIS C 1 1 16 7984 1 1 8 HIS CA C -7.544 -0.996 4.347 1.00 . A A . 8 HIS CA 1 1 16 7985 1 1 8 HIS CB C -7.408 -0.605 5.828 1.00 . A A . 8 HIS CB 1 1 16 7986 1 1 8 HIS CD2 C -5.422 1.020 5.537 1.00 . A A . 8 HIS CD2 1 1 16 7987 1 1 8 HIS CE1 C -6.068 2.571 6.944 1.00 . A A . 8 HIS CE1 1 1 16 7988 1 1 8 HIS CG C -6.597 0.624 6.067 1.00 . A A . 8 HIS CG 1 1 16 7989 1 1 8 HIS H H -6.901 0.842 3.526 1.00 . A A . 8 HIS H 1 1 16 7990 1 1 8 HIS HA H -7.173 -1.996 4.212 1.00 . A A . 8 HIS HA 1 1 16 7991 1 1 8 HIS HB2 H -8.392 -0.431 6.237 1.00 . A A . 8 HIS HB2 1 1 16 7992 1 1 8 HIS HB3 H -6.945 -1.420 6.364 1.00 . A A . 8 HIS HB3 1 1 16 7993 1 1 8 HIS HD1 H -7.787 1.612 7.496 1.00 . A A . 8 HIS HD1 1 1 16 7994 1 1 8 HIS HD2 H -4.819 0.462 4.828 1.00 . A A . 8 HIS HD2 1 1 16 7995 1 1 8 HIS HE1 H -6.100 3.472 7.538 1.00 . A A . 8 HIS HE1 1 1 16 7996 1 1 8 HIS HE2 H -4.396 2.832 5.794 1.00 . A A . 8 HIS HE2 1 1 16 7997 1 1 8 HIS N N -6.768 -0.128 3.481 1.00 . A A . 8 HIS N 1 1 16 7998 1 1 8 HIS ND1 N -6.975 1.613 6.947 1.00 . A A . 8 HIS ND1 1 1 16 7999 1 1 8 HIS NE2 N -5.114 2.237 6.095 1.00 . A A . 8 HIS NE2 1 1 16 8000 1 1 8 HIS O O -9.527 0.083 3.554 1.00 . A A . 8 HIS O 1 1 16 8001 1 1 9 CYS C C -11.863 -2.519 4.971 1.00 . A A . 9 CYS C 1 1 16 8002 1 1 9 CYS CA C -11.075 -2.174 3.722 1.00 . A A . 9 CYS CA 1 1 16 8003 1 1 9 CYS CB C -11.307 -3.193 2.619 1.00 . A A . 9 CYS CB 1 1 16 8004 1 1 9 CYS H H -9.205 -2.892 4.383 1.00 . A A . 9 CYS H 1 1 16 8005 1 1 9 CYS HA H -11.378 -1.204 3.376 1.00 . A A . 9 CYS HA 1 1 16 8006 1 1 9 CYS HB2 H -10.355 -3.446 2.180 1.00 . A A . 9 CYS HB2 1 1 16 8007 1 1 9 CYS HB3 H -11.758 -4.078 3.038 1.00 . A A . 9 CYS HB3 1 1 16 8008 1 1 9 CYS N N -9.669 -2.093 4.056 1.00 . A A . 9 CYS N 1 1 16 8009 1 1 9 CYS O O -12.257 -3.664 5.187 1.00 . A A . 9 CYS O 1 1 16 8010 1 1 9 CYS SG S -12.383 -2.591 1.280 1.00 . A A . 9 CYS SG 1 1 16 8011 1 1 10 THR C C -14.230 -1.288 6.963 1.00 . A A . 10 THR C 1 1 16 8012 1 1 10 THR CA C -12.764 -1.671 7.068 1.00 . A A . 10 THR CA 1 1 16 8013 1 1 10 THR CB C -12.097 -0.824 8.159 1.00 . A A . 10 THR CB 1 1 16 8014 1 1 10 THR CG2 C -10.584 -0.774 8.059 1.00 . A A . 10 THR CG2 1 1 16 8015 1 1 10 THR H H -11.698 -0.623 5.566 1.00 . A A . 10 THR H 1 1 16 8016 1 1 10 THR HA H -12.708 -2.706 7.351 1.00 . A A . 10 THR HA 1 1 16 8017 1 1 10 THR HB H -12.351 -1.236 9.125 1.00 . A A . 10 THR HB 1 1 16 8018 1 1 10 THR HG1 H -12.248 0.931 7.304 1.00 . A A . 10 THR HG1 1 1 16 8019 1 1 10 THR HG21 H -10.173 -0.374 8.975 1.00 . A A . 10 THR HG21 1 1 16 8020 1 1 10 THR HG22 H -10.300 -0.141 7.231 1.00 . A A . 10 THR HG22 1 1 16 8021 1 1 10 THR HG23 H -10.199 -1.771 7.897 1.00 . A A . 10 THR HG23 1 1 16 8022 1 1 10 THR N N -12.059 -1.506 5.802 1.00 . A A . 10 THR N 1 1 16 8023 1 1 10 THR O O -14.655 -0.634 6.013 1.00 . A A . 10 THR O 1 1 16 8024 1 1 10 THR OG1 O -12.565 0.512 8.108 1.00 . A A . 10 THR OG1 1 1 16 8025 1 1 11 LYS C C -17.133 -1.536 6.728 1.00 . A A . 11 LYS C 1 1 16 8026 1 1 11 LYS CA C -16.413 -1.428 8.074 1.00 . A A . 11 LYS CA 1 1 16 8027 1 1 11 LYS CB C -16.612 -0.043 8.672 1.00 . A A . 11 LYS CB 1 1 16 8028 1 1 11 LYS CD C -16.870 2.408 8.196 1.00 . A A . 11 LYS CD 1 1 16 8029 1 1 11 LYS CE C -16.437 3.560 7.306 1.00 . A A . 11 LYS CE 1 1 16 8030 1 1 11 LYS CG C -16.310 1.085 7.704 1.00 . A A . 11 LYS CG 1 1 16 8031 1 1 11 LYS H H -14.556 -2.210 8.697 1.00 . A A . 11 LYS H 1 1 16 8032 1 1 11 LYS HA H -16.838 -2.156 8.747 1.00 . A A . 11 LYS HA 1 1 16 8033 1 1 11 LYS HB2 H -17.633 0.053 9.002 1.00 . A A . 11 LYS HB2 1 1 16 8034 1 1 11 LYS HB3 H -15.953 0.058 9.522 1.00 . A A . 11 LYS HB3 1 1 16 8035 1 1 11 LYS HD2 H -17.949 2.353 8.198 1.00 . A A . 11 LYS HD2 1 1 16 8036 1 1 11 LYS HD3 H -16.514 2.586 9.200 1.00 . A A . 11 LYS HD3 1 1 16 8037 1 1 11 LYS HE2 H -17.009 3.527 6.391 1.00 . A A . 11 LYS HE2 1 1 16 8038 1 1 11 LYS HE3 H -16.635 4.490 7.820 1.00 . A A . 11 LYS HE3 1 1 16 8039 1 1 11 LYS HG2 H -15.243 1.175 7.597 1.00 . A A . 11 LYS HG2 1 1 16 8040 1 1 11 LYS HG3 H -16.748 0.847 6.745 1.00 . A A . 11 LYS HG3 1 1 16 8041 1 1 11 LYS HZ1 H -14.687 4.368 6.499 1.00 . A A . 11 LYS HZ1 1 1 16 8042 1 1 11 LYS HZ2 H -14.803 2.689 6.338 1.00 . A A . 11 LYS HZ2 1 1 16 8043 1 1 11 LYS HZ3 H -14.425 3.370 7.839 1.00 . A A . 11 LYS HZ3 1 1 16 8044 1 1 11 LYS N N -14.983 -1.702 7.977 1.00 . A A . 11 LYS N 1 1 16 8045 1 1 11 LYS NZ N -14.986 3.491 6.972 1.00 . A A . 11 LYS NZ 1 1 16 8046 1 1 11 LYS O O -18.086 -0.804 6.460 1.00 . A A . 11 LYS O 1 1 16 8047 1 1 12 SER C C -16.918 -1.591 3.609 1.00 . A A . 12 SER C 1 1 16 8048 1 1 12 SER CA C -17.280 -2.702 4.587 1.00 . A A . 12 SER CA 1 1 16 8049 1 1 12 SER CB C -18.803 -2.825 4.700 1.00 . A A . 12 SER CB 1 1 16 8050 1 1 12 SER H H -15.929 -3.019 6.186 1.00 . A A . 12 SER H 1 1 16 8051 1 1 12 SER HA H -16.889 -3.630 4.212 1.00 . A A . 12 SER HA 1 1 16 8052 1 1 12 SER HB2 H -19.098 -2.665 5.723 1.00 . A A . 12 SER HB2 1 1 16 8053 1 1 12 SER HB3 H -19.271 -2.083 4.071 1.00 . A A . 12 SER HB3 1 1 16 8054 1 1 12 SER HG H -18.740 -4.782 4.757 1.00 . A A . 12 SER HG 1 1 16 8055 1 1 12 SER N N -16.682 -2.468 5.901 1.00 . A A . 12 SER N 1 1 16 8056 1 1 12 SER O O -17.700 -1.246 2.723 1.00 . A A . 12 SER O 1 1 16 8057 1 1 12 SER OG O -19.245 -4.109 4.295 1.00 . A A . 12 SER OG 1 1 16 8058 1 1 13 GLY C C -13.758 0.116 2.830 1.00 . A A . 13 GLY C 1 1 16 8059 1 1 13 GLY CA C -15.267 0.017 2.889 1.00 . A A . 13 GLY CA 1 1 16 8060 1 1 13 GLY H H -15.135 -1.365 4.487 1.00 . A A . 13 GLY H 1 1 16 8061 1 1 13 GLY HA2 H -15.643 -0.171 1.895 1.00 . A A . 13 GLY HA2 1 1 16 8062 1 1 13 GLY HA3 H -15.665 0.956 3.243 1.00 . A A . 13 GLY HA3 1 1 16 8063 1 1 13 GLY N N -15.719 -1.043 3.769 1.00 . A A . 13 GLY N 1 1 16 8064 1 1 13 GLY O O -13.079 -0.042 3.843 1.00 . A A . 13 GLY O 1 1 16 8065 1 1 14 CYS C C -11.370 1.968 1.626 1.00 . A A . 14 CYS C 1 1 16 8066 1 1 14 CYS CA C -11.799 0.526 1.451 1.00 . A A . 14 CYS CA 1 1 16 8067 1 1 14 CYS CB C -11.387 0.024 0.075 1.00 . A A . 14 CYS CB 1 1 16 8068 1 1 14 CYS H H -13.831 0.512 0.874 1.00 . A A . 14 CYS H 1 1 16 8069 1 1 14 CYS HA H -11.296 -0.055 2.193 1.00 . A A . 14 CYS HA 1 1 16 8070 1 1 14 CYS HB2 H -12.165 0.256 -0.628 1.00 . A A . 14 CYS HB2 1 1 16 8071 1 1 14 CYS HB3 H -10.482 0.530 -0.213 1.00 . A A . 14 CYS HB3 1 1 16 8072 1 1 14 CYS N N -13.234 0.390 1.642 1.00 . A A . 14 CYS N 1 1 16 8073 1 1 14 CYS O O -12.025 2.895 1.150 1.00 . A A . 14 CYS O 1 1 16 8074 1 1 14 CYS SG S -11.070 -1.769 -0.030 1.00 . A A . 14 CYS SG 1 1 16 8075 1 1 15 SER C C -8.190 3.432 2.485 1.00 . A A . 15 SER C 1 1 16 8076 1 1 15 SER CA C -9.706 3.459 2.576 1.00 . A A . 15 SER CA 1 1 16 8077 1 1 15 SER CB C -10.135 3.951 3.957 1.00 . A A . 15 SER CB 1 1 16 8078 1 1 15 SER H H -9.786 1.341 2.660 1.00 . A A . 15 SER H 1 1 16 8079 1 1 15 SER HA H -10.088 4.135 1.826 1.00 . A A . 15 SER HA 1 1 16 8080 1 1 15 SER HB2 H -9.747 4.945 4.120 1.00 . A A . 15 SER HB2 1 1 16 8081 1 1 15 SER HB3 H -11.213 3.971 4.008 1.00 . A A . 15 SER HB3 1 1 16 8082 1 1 15 SER HG H -10.303 2.427 5.178 1.00 . A A . 15 SER HG 1 1 16 8083 1 1 15 SER N N -10.255 2.136 2.315 1.00 . A A . 15 SER N 1 1 16 8084 1 1 15 SER O O -7.583 2.362 2.438 1.00 . A A . 15 SER O 1 1 16 8085 1 1 15 SER OG O -9.644 3.098 4.976 1.00 . A A . 15 SER OG 1 1 16 8086 1 1 16 VAL C C -5.573 5.750 3.309 1.00 . A A . 16 VAL C 1 1 16 8087 1 1 16 VAL CA C -6.136 4.711 2.351 1.00 . A A . 16 VAL CA 1 1 16 8088 1 1 16 VAL CB C -5.686 5.086 0.926 1.00 . A A . 16 VAL CB 1 1 16 8089 1 1 16 VAL CG1 C -4.180 5.214 0.864 1.00 . A A . 16 VAL CG1 1 1 16 8090 1 1 16 VAL CG2 C -6.145 4.063 -0.079 1.00 . A A . 16 VAL CG2 1 1 16 8091 1 1 16 VAL H H -8.121 5.431 2.477 1.00 . A A . 16 VAL H 1 1 16 8092 1 1 16 VAL HA H -5.720 3.746 2.593 1.00 . A A . 16 VAL HA 1 1 16 8093 1 1 16 VAL HB H -6.125 6.038 0.670 1.00 . A A . 16 VAL HB 1 1 16 8094 1 1 16 VAL HG11 H -3.738 4.587 1.621 1.00 . A A . 16 VAL HG11 1 1 16 8095 1 1 16 VAL HG12 H -3.904 6.237 1.038 1.00 . A A . 16 VAL HG12 1 1 16 8096 1 1 16 VAL HG13 H -3.832 4.901 -0.110 1.00 . A A . 16 VAL HG13 1 1 16 8097 1 1 16 VAL HG21 H -5.383 3.955 -0.839 1.00 . A A . 16 VAL HG21 1 1 16 8098 1 1 16 VAL HG22 H -7.067 4.394 -0.533 1.00 . A A . 16 VAL HG22 1 1 16 8099 1 1 16 VAL HG23 H -6.296 3.119 0.422 1.00 . A A . 16 VAL HG23 1 1 16 8100 1 1 16 VAL N N -7.583 4.611 2.446 1.00 . A A . 16 VAL N 1 1 16 8101 1 1 16 VAL O O -5.978 6.911 3.291 1.00 . A A . 16 VAL O 1 1 16 8102 1 1 17 ASN C C -3.050 7.194 4.259 1.00 . A A . 17 ASN C 1 1 16 8103 1 1 17 ASN CA C -3.955 6.249 5.045 1.00 . A A . 17 ASN CA 1 1 16 8104 1 1 17 ASN CB C -3.140 5.480 6.084 1.00 . A A . 17 ASN CB 1 1 16 8105 1 1 17 ASN CG C -3.697 5.646 7.485 1.00 . A A . 17 ASN CG 1 1 16 8106 1 1 17 ASN H H -4.304 4.403 4.068 1.00 . A A . 17 ASN H 1 1 16 8107 1 1 17 ASN HA H -4.719 6.825 5.541 1.00 . A A . 17 ASN HA 1 1 16 8108 1 1 17 ASN HB2 H -3.149 4.429 5.836 1.00 . A A . 17 ASN HB2 1 1 16 8109 1 1 17 ASN HB3 H -2.120 5.840 6.076 1.00 . A A . 17 ASN HB3 1 1 16 8110 1 1 17 ASN HD21 H -1.915 5.240 8.264 1.00 . A A . 17 ASN HD21 1 1 16 8111 1 1 17 ASN HD22 H -3.174 5.567 9.401 1.00 . A A . 17 ASN HD22 1 1 16 8112 1 1 17 ASN N N -4.606 5.334 4.119 1.00 . A A . 17 ASN N 1 1 16 8113 1 1 17 ASN ND2 N -2.842 5.466 8.485 1.00 . A A . 17 ASN ND2 1 1 16 8114 1 1 17 ASN O O -2.717 8.286 4.718 1.00 . A A . 17 ASN O 1 1 16 8115 1 1 17 ASN OD1 O -4.880 5.933 7.666 1.00 . A A . 17 ASN OD1 1 1 16 8116 1 1 18 TRP C C -0.418 7.669 2.734 1.00 . A A . 18 TRP C 1 1 16 8117 1 1 18 TRP CA C -1.811 7.526 2.176 1.00 . A A . 18 TRP CA 1 1 16 8118 1 1 18 TRP CB C -2.459 8.879 1.884 1.00 . A A . 18 TRP CB 1 1 16 8119 1 1 18 TRP CD1 C -4.973 8.832 1.401 1.00 . A A . 18 TRP CD1 1 1 16 8120 1 1 18 TRP CD2 C -3.677 8.308 -0.333 1.00 . A A . 18 TRP CD2 1 1 16 8121 1 1 18 TRP CE2 C -5.012 8.224 -0.741 1.00 . A A . 18 TRP CE2 1 1 16 8122 1 1 18 TRP CE3 C -2.669 8.023 -1.247 1.00 . A A . 18 TRP CE3 1 1 16 8123 1 1 18 TRP CG C -3.670 8.707 1.031 1.00 . A A . 18 TRP CG 1 1 16 8124 1 1 18 TRP CH2 C -4.366 7.585 -2.912 1.00 . A A . 18 TRP CH2 1 1 16 8125 1 1 18 TRP CZ2 C -5.372 7.861 -2.032 1.00 . A A . 18 TRP CZ2 1 1 16 8126 1 1 18 TRP CZ3 C -3.022 7.661 -2.531 1.00 . A A . 18 TRP CZ3 1 1 16 8127 1 1 18 TRP H H -2.963 5.868 2.771 1.00 . A A . 18 TRP H 1 1 16 8128 1 1 18 TRP HA H -1.730 6.978 1.247 1.00 . A A . 18 TRP HA 1 1 16 8129 1 1 18 TRP HB2 H -2.756 9.352 2.810 1.00 . A A . 18 TRP HB2 1 1 16 8130 1 1 18 TRP HB3 H -1.759 9.512 1.359 1.00 . A A . 18 TRP HB3 1 1 16 8131 1 1 18 TRP HD1 H -5.301 9.113 2.388 1.00 . A A . 18 TRP HD1 1 1 16 8132 1 1 18 TRP HE1 H -6.769 8.570 0.348 1.00 . A A . 18 TRP HE1 1 1 16 8133 1 1 18 TRP HE3 H -1.629 8.070 -0.954 1.00 . A A . 18 TRP HE3 1 1 16 8134 1 1 18 TRP HH2 H -4.601 7.289 -3.922 1.00 . A A . 18 TRP HH2 1 1 16 8135 1 1 18 TRP HZ2 H -6.405 7.797 -2.342 1.00 . A A . 18 TRP HZ2 1 1 16 8136 1 1 18 TRP HZ3 H -2.255 7.433 -3.257 1.00 . A A . 18 TRP HZ3 1 1 16 8137 1 1 18 TRP N N -2.662 6.748 3.066 1.00 . A A . 18 TRP N 1 1 16 8138 1 1 18 TRP NE1 N -5.790 8.545 0.338 1.00 . A A . 18 TRP NE1 1 1 16 8139 1 1 18 TRP O O 0.528 7.118 2.177 1.00 . A A . 18 TRP O 1 1 16 8140 1 1 19 GLY C C 1.659 7.137 4.641 1.00 . A A . 19 GLY C 1 1 16 8141 1 1 19 GLY CA C 1.036 8.505 4.421 1.00 . A A . 19 GLY CA 1 1 16 8142 1 1 19 GLY H H -1.059 8.781 4.271 1.00 . A A . 19 GLY H 1 1 16 8143 1 1 19 GLY HA2 H 1.655 9.072 3.734 1.00 . A A . 19 GLY HA2 1 1 16 8144 1 1 19 GLY HA3 H 0.966 9.025 5.362 1.00 . A A . 19 GLY HA3 1 1 16 8145 1 1 19 GLY N N -0.277 8.373 3.841 1.00 . A A . 19 GLY N 1 1 16 8146 1 1 19 GLY O O 2.878 6.981 4.579 1.00 . A A . 19 GLY O 1 1 16 8147 1 1 20 GLU C C 1.638 4.170 3.699 1.00 . A A . 20 GLU C 1 1 16 8148 1 1 20 GLU CA C 1.242 4.757 5.044 1.00 . A A . 20 GLU CA 1 1 16 8149 1 1 20 GLU CB C 0.131 3.907 5.664 1.00 . A A . 20 GLU CB 1 1 16 8150 1 1 20 GLU CD C 1.122 2.458 7.484 1.00 . A A . 20 GLU CD 1 1 16 8151 1 1 20 GLU CG C 0.296 3.689 7.159 1.00 . A A . 20 GLU CG 1 1 16 8152 1 1 20 GLU H H -0.163 6.329 4.866 1.00 . A A . 20 GLU H 1 1 16 8153 1 1 20 GLU HA H 2.102 4.762 5.698 1.00 . A A . 20 GLU HA 1 1 16 8154 1 1 20 GLU HB2 H -0.819 4.395 5.495 1.00 . A A . 20 GLU HB2 1 1 16 8155 1 1 20 GLU HB3 H 0.120 2.938 5.180 1.00 . A A . 20 GLU HB3 1 1 16 8156 1 1 20 GLU HG2 H 0.784 4.552 7.584 1.00 . A A . 20 GLU HG2 1 1 16 8157 1 1 20 GLU HG3 H -0.683 3.574 7.601 1.00 . A A . 20 GLU HG3 1 1 16 8158 1 1 20 GLU N N 0.798 6.136 4.858 1.00 . A A . 20 GLU N 1 1 16 8159 1 1 20 GLU O O 2.638 3.465 3.577 1.00 . A A . 20 GLU O 1 1 16 8160 1 1 20 GLU OE1 O 1.643 1.823 6.542 1.00 . A A . 20 GLU OE1 1 1 16 8161 1 1 20 GLU OE2 O 1.249 2.128 8.683 1.00 . A A . 20 GLU OE2 1 1 16 8162 1 1 21 ALA C C 2.320 4.732 0.789 1.00 . A A . 21 ALA C 1 1 16 8163 1 1 21 ALA CA C 1.101 4.021 1.336 1.00 . A A . 21 ALA CA 1 1 16 8164 1 1 21 ALA CB C -0.093 4.317 0.461 1.00 . A A . 21 ALA CB 1 1 16 8165 1 1 21 ALA H H 0.063 5.063 2.846 1.00 . A A . 21 ALA H 1 1 16 8166 1 1 21 ALA HA H 1.271 2.954 1.355 1.00 . A A . 21 ALA HA 1 1 16 8167 1 1 21 ALA HB1 H -0.017 3.754 -0.455 1.00 . A A . 21 ALA HB1 1 1 16 8168 1 1 21 ALA HB2 H -0.107 5.375 0.238 1.00 . A A . 21 ALA HB2 1 1 16 8169 1 1 21 ALA HB3 H -0.996 4.047 0.983 1.00 . A A . 21 ALA HB3 1 1 16 8170 1 1 21 ALA N N 0.843 4.487 2.684 1.00 . A A . 21 ALA N 1 1 16 8171 1 1 21 ALA O O 3.181 4.132 0.149 1.00 . A A . 21 ALA O 1 1 16 8172 1 1 22 PHE C C 4.770 6.279 1.294 1.00 . A A . 22 PHE C 1 1 16 8173 1 1 22 PHE CA C 3.507 6.845 0.679 1.00 . A A . 22 PHE CA 1 1 16 8174 1 1 22 PHE CB C 3.278 8.286 1.144 1.00 . A A . 22 PHE CB 1 1 16 8175 1 1 22 PHE CD1 C 5.567 9.310 1.099 1.00 . A A . 22 PHE CD1 1 1 16 8176 1 1 22 PHE CD2 C 3.923 10.144 -0.413 1.00 . A A . 22 PHE CD2 1 1 16 8177 1 1 22 PHE CE1 C 6.488 10.210 0.599 1.00 . A A . 22 PHE CE1 1 1 16 8178 1 1 22 PHE CE2 C 4.840 11.047 -0.917 1.00 . A A . 22 PHE CE2 1 1 16 8179 1 1 22 PHE CG C 4.278 9.266 0.600 1.00 . A A . 22 PHE CG 1 1 16 8180 1 1 22 PHE CZ C 6.124 11.079 -0.411 1.00 . A A . 22 PHE CZ 1 1 16 8181 1 1 22 PHE H H 1.679 6.423 1.629 1.00 . A A . 22 PHE H 1 1 16 8182 1 1 22 PHE HA H 3.582 6.817 -0.401 1.00 . A A . 22 PHE HA 1 1 16 8183 1 1 22 PHE HB2 H 2.297 8.604 0.828 1.00 . A A . 22 PHE HB2 1 1 16 8184 1 1 22 PHE HB3 H 3.329 8.320 2.225 1.00 . A A . 22 PHE HB3 1 1 16 8185 1 1 22 PHE HD1 H 5.854 8.630 1.888 1.00 . A A . 22 PHE HD1 1 1 16 8186 1 1 22 PHE HD2 H 2.919 10.119 -0.808 1.00 . A A . 22 PHE HD2 1 1 16 8187 1 1 22 PHE HE1 H 7.492 10.234 0.996 1.00 . A A . 22 PHE HE1 1 1 16 8188 1 1 22 PHE HE2 H 4.552 11.726 -1.706 1.00 . A A . 22 PHE HE2 1 1 16 8189 1 1 22 PHE HZ H 6.842 11.784 -0.803 1.00 . A A . 22 PHE HZ 1 1 16 8190 1 1 22 PHE N N 2.392 6.021 1.090 1.00 . A A . 22 PHE N 1 1 16 8191 1 1 22 PHE O O 5.811 6.193 0.650 1.00 . A A . 22 PHE O 1 1 16 8192 1 1 23 SER C C 6.072 3.878 2.653 1.00 . A A . 23 SER C 1 1 16 8193 1 1 23 SER CA C 5.760 5.240 3.257 1.00 . A A . 23 SER CA 1 1 16 8194 1 1 23 SER CB C 5.449 5.098 4.750 1.00 . A A . 23 SER CB 1 1 16 8195 1 1 23 SER H H 3.766 5.917 2.983 1.00 . A A . 23 SER H 1 1 16 8196 1 1 23 SER HA H 6.624 5.880 3.134 1.00 . A A . 23 SER HA 1 1 16 8197 1 1 23 SER HB2 H 6.348 4.809 5.275 1.00 . A A . 23 SER HB2 1 1 16 8198 1 1 23 SER HB3 H 5.097 6.042 5.136 1.00 . A A . 23 SER HB3 1 1 16 8199 1 1 23 SER HG H 4.869 3.318 5.327 1.00 . A A . 23 SER HG 1 1 16 8200 1 1 23 SER N N 4.645 5.851 2.545 1.00 . A A . 23 SER N 1 1 16 8201 1 1 23 SER O O 7.206 3.412 2.701 1.00 . A A . 23 SER O 1 1 16 8202 1 1 23 SER OG O 4.458 4.112 4.978 1.00 . A A . 23 SER OG 1 1 16 8203 1 1 24 ALA C C 5.920 2.084 0.113 1.00 . A A . 24 ALA C 1 1 16 8204 1 1 24 ALA CA C 5.208 1.943 1.451 1.00 . A A . 24 ALA CA 1 1 16 8205 1 1 24 ALA CB C 3.850 1.284 1.261 1.00 . A A . 24 ALA CB 1 1 16 8206 1 1 24 ALA H H 4.168 3.676 2.068 1.00 . A A . 24 ALA H 1 1 16 8207 1 1 24 ALA HA H 5.802 1.323 2.106 1.00 . A A . 24 ALA HA 1 1 16 8208 1 1 24 ALA HB1 H 3.966 0.211 1.261 1.00 . A A . 24 ALA HB1 1 1 16 8209 1 1 24 ALA HB2 H 3.426 1.601 0.320 1.00 . A A . 24 ALA HB2 1 1 16 8210 1 1 24 ALA HB3 H 3.193 1.576 2.067 1.00 . A A . 24 ALA HB3 1 1 16 8211 1 1 24 ALA N N 5.050 3.249 2.076 1.00 . A A . 24 ALA N 1 1 16 8212 1 1 24 ALA O O 6.919 1.412 -0.151 1.00 . A A . 24 ALA O 1 1 16 8213 1 1 25 GLY C C 7.420 3.721 -1.922 1.00 . A A . 25 GLY C 1 1 16 8214 1 1 25 GLY CA C 6.001 3.200 -2.022 1.00 . A A . 25 GLY CA 1 1 16 8215 1 1 25 GLY H H 4.610 3.485 -0.456 1.00 . A A . 25 GLY H 1 1 16 8216 1 1 25 GLY HA2 H 6.007 2.270 -2.571 1.00 . A A . 25 GLY HA2 1 1 16 8217 1 1 25 GLY HA3 H 5.403 3.920 -2.561 1.00 . A A . 25 GLY HA3 1 1 16 8218 1 1 25 GLY N N 5.403 2.974 -0.725 1.00 . A A . 25 GLY N 1 1 16 8219 1 1 25 GLY O O 8.294 3.288 -2.665 1.00 . A A . 25 GLY O 1 1 16 8220 1 1 26 VAL C C 9.987 4.203 -0.369 1.00 . A A . 26 VAL C 1 1 16 8221 1 1 26 VAL CA C 8.977 5.243 -0.821 1.00 . A A . 26 VAL CA 1 1 16 8222 1 1 26 VAL CB C 8.964 6.388 0.215 1.00 . A A . 26 VAL CB 1 1 16 8223 1 1 26 VAL CG1 C 10.351 6.990 0.372 1.00 . A A . 26 VAL CG1 1 1 16 8224 1 1 26 VAL CG2 C 7.962 7.458 -0.174 1.00 . A A . 26 VAL CG2 1 1 16 8225 1 1 26 VAL H H 6.909 4.967 -0.439 1.00 . A A . 26 VAL H 1 1 16 8226 1 1 26 VAL HA H 9.304 5.644 -1.776 1.00 . A A . 26 VAL HA 1 1 16 8227 1 1 26 VAL HB H 8.665 5.978 1.171 1.00 . A A . 26 VAL HB 1 1 16 8228 1 1 26 VAL HG11 H 10.294 7.867 0.999 1.00 . A A . 26 VAL HG11 1 1 16 8229 1 1 26 VAL HG12 H 10.735 7.266 -0.600 1.00 . A A . 26 VAL HG12 1 1 16 8230 1 1 26 VAL HG13 H 11.009 6.265 0.826 1.00 . A A . 26 VAL HG13 1 1 16 8231 1 1 26 VAL HG21 H 8.474 8.266 -0.674 1.00 . A A . 26 VAL HG21 1 1 16 8232 1 1 26 VAL HG22 H 7.479 7.832 0.716 1.00 . A A . 26 VAL HG22 1 1 16 8233 1 1 26 VAL HG23 H 7.221 7.035 -0.836 1.00 . A A . 26 VAL HG23 1 1 16 8234 1 1 26 VAL N N 7.649 4.658 -1.001 1.00 . A A . 26 VAL N 1 1 16 8235 1 1 26 VAL O O 11.137 4.237 -0.786 1.00 . A A . 26 VAL O 1 1 16 8236 1 1 27 HIS C C 10.971 1.441 -0.263 1.00 . A A . 27 HIS C 1 1 16 8237 1 1 27 HIS CA C 10.489 2.243 0.935 1.00 . A A . 27 HIS CA 1 1 16 8238 1 1 27 HIS CB C 9.819 1.334 1.966 1.00 . A A . 27 HIS CB 1 1 16 8239 1 1 27 HIS CD2 C 8.982 1.590 4.405 1.00 . A A . 27 HIS CD2 1 1 16 8240 1 1 27 HIS CE1 C 9.216 3.760 4.573 1.00 . A A . 27 HIS CE1 1 1 16 8241 1 1 27 HIS CG C 9.471 2.045 3.228 1.00 . A A . 27 HIS CG 1 1 16 8242 1 1 27 HIS H H 8.640 3.273 0.783 1.00 . A A . 27 HIS H 1 1 16 8243 1 1 27 HIS HA H 11.339 2.736 1.393 1.00 . A A . 27 HIS HA 1 1 16 8244 1 1 27 HIS HB2 H 8.909 0.933 1.551 1.00 . A A . 27 HIS HB2 1 1 16 8245 1 1 27 HIS HB3 H 10.487 0.526 2.215 1.00 . A A . 27 HIS HB3 1 1 16 8246 1 1 27 HIS HD1 H 9.940 4.020 2.685 1.00 . A A . 27 HIS HD1 1 1 16 8247 1 1 27 HIS HD2 H 8.753 0.562 4.653 1.00 . A A . 27 HIS HD2 1 1 16 8248 1 1 27 HIS HE1 H 9.198 4.765 4.950 1.00 . A A . 27 HIS HE1 1 1 16 8249 1 1 27 HIS HE2 H 8.394 2.675 6.103 1.00 . A A . 27 HIS HE2 1 1 16 8250 1 1 27 HIS N N 9.570 3.272 0.473 1.00 . A A . 27 HIS N 1 1 16 8251 1 1 27 HIS ND1 N 9.606 3.404 3.368 1.00 . A A . 27 HIS ND1 1 1 16 8252 1 1 27 HIS NE2 N 8.832 2.680 5.226 1.00 . A A . 27 HIS NE2 1 1 16 8253 1 1 27 HIS O O 12.132 1.055 -0.340 1.00 . A A . 27 HIS O 1 1 16 8254 1 1 28 ARG C C 11.341 1.315 -3.318 1.00 . A A . 28 ARG C 1 1 16 8255 1 1 28 ARG CA C 10.396 0.500 -2.429 1.00 . A A . 28 ARG CA 1 1 16 8256 1 1 28 ARG CB C 9.118 0.154 -3.195 1.00 . A A . 28 ARG CB 1 1 16 8257 1 1 28 ARG CD C 9.164 -2.328 -3.591 1.00 . A A . 28 ARG CD 1 1 16 8258 1 1 28 ARG CG C 8.526 -1.191 -2.810 1.00 . A A . 28 ARG CG 1 1 16 8259 1 1 28 ARG CZ C 7.327 -3.882 -4.122 1.00 . A A . 28 ARG CZ 1 1 16 8260 1 1 28 ARG H H 9.161 1.583 -1.098 1.00 . A A . 28 ARG H 1 1 16 8261 1 1 28 ARG HA H 10.892 -0.416 -2.143 1.00 . A A . 28 ARG HA 1 1 16 8262 1 1 28 ARG HB2 H 8.379 0.918 -3.002 1.00 . A A . 28 ARG HB2 1 1 16 8263 1 1 28 ARG HB3 H 9.339 0.138 -4.252 1.00 . A A . 28 ARG HB3 1 1 16 8264 1 1 28 ARG HD2 H 9.990 -1.935 -4.166 1.00 . A A . 28 ARG HD2 1 1 16 8265 1 1 28 ARG HD3 H 9.533 -3.064 -2.892 1.00 . A A . 28 ARG HD3 1 1 16 8266 1 1 28 ARG HE H 8.243 -2.700 -5.443 1.00 . A A . 28 ARG HE 1 1 16 8267 1 1 28 ARG HG2 H 8.691 -1.356 -1.755 1.00 . A A . 28 ARG HG2 1 1 16 8268 1 1 28 ARG HG3 H 7.465 -1.177 -3.013 1.00 . A A . 28 ARG HG3 1 1 16 8269 1 1 28 ARG HH11 H 7.876 -3.872 -2.174 1.00 . A A . 28 ARG HH11 1 1 16 8270 1 1 28 ARG HH12 H 6.588 -4.956 -2.577 1.00 . A A . 28 ARG HH12 1 1 16 8271 1 1 28 ARG HH21 H 6.548 -4.123 -5.971 1.00 . A A . 28 ARG HH21 1 1 16 8272 1 1 28 ARG HH22 H 5.833 -5.099 -4.731 1.00 . A A . 28 ARG HH22 1 1 16 8273 1 1 28 ARG N N 10.068 1.227 -1.211 1.00 . A A . 28 ARG N 1 1 16 8274 1 1 28 ARG NE N 8.216 -2.967 -4.500 1.00 . A A . 28 ARG NE 1 1 16 8275 1 1 28 ARG NH1 N 7.258 -4.267 -2.854 1.00 . A A . 28 ARG NH1 1 1 16 8276 1 1 28 ARG NH2 N 6.502 -4.411 -5.014 1.00 . A A . 28 ARG NH2 1 1 16 8277 1 1 28 ARG O O 12.364 0.807 -3.778 1.00 . A A . 28 ARG O 1 1 16 8278 1 1 29 LEU C C 13.093 3.860 -3.705 1.00 . A A . 29 LEU C 1 1 16 8279 1 1 29 LEU CA C 11.801 3.456 -4.401 1.00 . A A . 29 LEU CA 1 1 16 8280 1 1 29 LEU CB C 11.022 4.717 -4.784 1.00 . A A . 29 LEU CB 1 1 16 8281 1 1 29 LEU CD1 C 8.891 5.801 -5.507 1.00 . A A . 29 LEU CD1 1 1 16 8282 1 1 29 LEU CD2 C 9.241 3.356 -5.904 1.00 . A A . 29 LEU CD2 1 1 16 8283 1 1 29 LEU CG C 9.520 4.526 -4.975 1.00 . A A . 29 LEU CG 1 1 16 8284 1 1 29 LEU H H 10.162 2.927 -3.165 1.00 . A A . 29 LEU H 1 1 16 8285 1 1 29 LEU HA H 12.041 2.918 -5.293 1.00 . A A . 29 LEU HA 1 1 16 8286 1 1 29 LEU HB2 H 11.174 5.455 -4.012 1.00 . A A . 29 LEU HB2 1 1 16 8287 1 1 29 LEU HB3 H 11.432 5.097 -5.708 1.00 . A A . 29 LEU HB3 1 1 16 8288 1 1 29 LEU HD11 H 7.966 5.564 -6.011 1.00 . A A . 29 LEU HD11 1 1 16 8289 1 1 29 LEU HD12 H 9.569 6.274 -6.200 1.00 . A A . 29 LEU HD12 1 1 16 8290 1 1 29 LEU HD13 H 8.693 6.472 -4.684 1.00 . A A . 29 LEU HD13 1 1 16 8291 1 1 29 LEU HD21 H 9.412 2.430 -5.375 1.00 . A A . 29 LEU HD21 1 1 16 8292 1 1 29 LEU HD22 H 9.901 3.410 -6.758 1.00 . A A . 29 LEU HD22 1 1 16 8293 1 1 29 LEU HD23 H 8.216 3.397 -6.238 1.00 . A A . 29 LEU HD23 1 1 16 8294 1 1 29 LEU HG H 9.073 4.312 -4.021 1.00 . A A . 29 LEU HG 1 1 16 8295 1 1 29 LEU N N 10.987 2.578 -3.560 1.00 . A A . 29 LEU N 1 1 16 8296 1 1 29 LEU O O 14.181 3.781 -4.274 1.00 . A A . 29 LEU O 1 1 16 8297 1 1 30 ALA C C 14.988 3.688 -1.208 1.00 . A A . 30 ALA C 1 1 16 8298 1 1 30 ALA CA C 14.054 4.807 -1.673 1.00 . A A . 30 ALA CA 1 1 16 8299 1 1 30 ALA CB C 13.513 5.565 -0.474 1.00 . A A . 30 ALA CB 1 1 16 8300 1 1 30 ALA H H 12.033 4.389 -2.119 1.00 . A A . 30 ALA H 1 1 16 8301 1 1 30 ALA HA H 14.620 5.503 -2.272 1.00 . A A . 30 ALA HA 1 1 16 8302 1 1 30 ALA HB1 H 12.631 6.116 -0.768 1.00 . A A . 30 ALA HB1 1 1 16 8303 1 1 30 ALA HB2 H 14.263 6.249 -0.110 1.00 . A A . 30 ALA HB2 1 1 16 8304 1 1 30 ALA HB3 H 13.253 4.864 0.306 1.00 . A A . 30 ALA HB3 1 1 16 8305 1 1 30 ALA N N 12.939 4.329 -2.482 1.00 . A A . 30 ALA N 1 1 16 8306 1 1 30 ALA O O 16.034 3.967 -0.622 1.00 . A A . 30 ALA O 1 1 16 8307 1 1 31 ASN C C 16.627 1.119 -2.044 1.00 . A A . 31 ASN C 1 1 16 8308 1 1 31 ASN CA C 15.490 1.321 -1.047 1.00 . A A . 31 ASN CA 1 1 16 8309 1 1 31 ASN CB C 14.691 0.023 -0.888 1.00 . A A . 31 ASN CB 1 1 16 8310 1 1 31 ASN CG C 15.574 -1.163 -0.540 1.00 . A A . 31 ASN CG 1 1 16 8311 1 1 31 ASN H H 13.792 2.246 -1.932 1.00 . A A . 31 ASN H 1 1 16 8312 1 1 31 ASN HA H 15.919 1.585 -0.091 1.00 . A A . 31 ASN HA 1 1 16 8313 1 1 31 ASN HB2 H 13.973 0.146 -0.091 1.00 . A A . 31 ASN HB2 1 1 16 8314 1 1 31 ASN HB3 H 14.172 -0.194 -1.810 1.00 . A A . 31 ASN HB3 1 1 16 8315 1 1 31 ASN HD21 H 14.519 -2.340 -1.746 1.00 . A A . 31 ASN HD21 1 1 16 8316 1 1 31 ASN HD22 H 15.833 -3.097 -0.919 1.00 . A A . 31 ASN HD22 1 1 16 8317 1 1 31 ASN N N 14.632 2.431 -1.460 1.00 . A A . 31 ASN N 1 1 16 8318 1 1 31 ASN ND2 N 15.279 -2.316 -1.128 1.00 . A A . 31 ASN ND2 1 1 16 8319 1 1 31 ASN O O 17.677 0.576 -1.698 1.00 . A A . 31 ASN O 1 1 16 8320 1 1 31 ASN OD1 O 16.510 -1.042 0.250 1.00 . A A . 31 ASN OD1 1 1 16 8321 1 1 32 GLY C C 18.646 2.298 -4.019 1.00 . A A . 32 GLY C 1 1 16 8322 1 1 32 GLY CA C 17.440 1.423 -4.297 1.00 . A A . 32 GLY CA 1 1 16 8323 1 1 32 GLY H H 15.563 1.989 -3.501 1.00 . A A . 32 GLY H 1 1 16 8324 1 1 32 GLY HA2 H 17.756 0.390 -4.336 1.00 . A A . 32 GLY HA2 1 1 16 8325 1 1 32 GLY HA3 H 17.022 1.697 -5.253 1.00 . A A . 32 GLY HA3 1 1 16 8326 1 1 32 GLY N N 16.417 1.562 -3.280 1.00 . A A . 32 GLY N 1 1 16 8327 1 1 32 GLY O O 19.739 1.796 -3.753 1.00 . A A . 32 GLY O 1 1 16 8328 1 1 33 GLY C C 19.212 5.945 -4.284 1.00 . A A . 33 GLY C 1 1 16 8329 1 1 33 GLY CA C 19.532 4.538 -3.820 1.00 . A A . 33 GLY CA 1 1 16 8330 1 1 33 GLY H H 17.551 3.951 -4.285 1.00 . A A . 33 GLY H 1 1 16 8331 1 1 33 GLY HA2 H 19.734 4.556 -2.759 1.00 . A A . 33 GLY HA2 1 1 16 8332 1 1 33 GLY HA3 H 20.415 4.192 -4.338 1.00 . A A . 33 GLY HA3 1 1 16 8333 1 1 33 GLY N N 18.445 3.610 -4.074 1.00 . A A . 33 GLY N 1 1 16 8334 1 1 33 GLY O O 18.778 6.783 -3.494 1.00 . A A . 33 GLY O 1 1 16 8335 1 1 34 ASN C C 18.824 7.414 -7.624 1.00 . A A . 34 ASN C 1 1 16 8336 1 1 34 ASN CA C 19.164 7.520 -6.139 1.00 . A A . 34 ASN CA 1 1 16 8337 1 1 34 ASN CB C 20.373 8.436 -5.944 1.00 . A A . 34 ASN CB 1 1 16 8338 1 1 34 ASN CG C 21.639 7.860 -6.547 1.00 . A A . 34 ASN CG 1 1 16 8339 1 1 34 ASN H H 19.777 5.494 -6.146 1.00 . A A . 34 ASN H 1 1 16 8340 1 1 34 ASN HA H 18.317 7.942 -5.619 1.00 . A A . 34 ASN HA 1 1 16 8341 1 1 34 ASN HB2 H 20.175 9.389 -6.413 1.00 . A A . 34 ASN HB2 1 1 16 8342 1 1 34 ASN HB3 H 20.535 8.587 -4.887 1.00 . A A . 34 ASN HB3 1 1 16 8343 1 1 34 ASN HD21 H 22.232 7.225 -4.758 1.00 . A A . 34 ASN HD21 1 1 16 8344 1 1 34 ASN HD22 H 23.302 6.880 -6.069 1.00 . A A . 34 ASN HD22 1 1 16 8345 1 1 34 ASN N N 19.430 6.204 -5.568 1.00 . A A . 34 ASN N 1 1 16 8346 1 1 34 ASN ND2 N 22.476 7.261 -5.707 1.00 . A A . 34 ASN ND2 1 1 16 8347 1 1 34 ASN O O 17.912 8.083 -8.109 1.00 . A A . 34 ASN O 1 1 16 8348 1 1 34 ASN OD1 O 21.863 7.953 -7.754 1.00 . A A . 34 ASN OD1 1 1 16 8349 1 1 35 GLY C C 19.961 5.138 -10.308 1.00 . A A . 35 GLY C 1 1 16 8350 1 1 35 GLY CA C 19.327 6.403 -9.762 1.00 . A A . 35 GLY CA 1 1 16 8351 1 1 35 GLY H H 20.285 6.074 -7.903 1.00 . A A . 35 GLY H 1 1 16 8352 1 1 35 GLY HA2 H 18.259 6.357 -9.932 1.00 . A A . 35 GLY HA2 1 1 16 8353 1 1 35 GLY HA3 H 19.729 7.252 -10.292 1.00 . A A . 35 GLY HA3 1 1 16 8354 1 1 35 GLY N N 19.567 6.577 -8.340 1.00 . A A . 35 GLY N 1 1 16 8355 1 1 35 GLY O O 20.962 5.197 -11.021 1.00 . A A . 35 GLY O 1 1 16 8356 1 1 36 PHE C C 18.797 1.628 -10.314 1.00 . A A . 36 PHE C 1 1 16 8357 1 1 36 PHE CA C 19.878 2.700 -10.435 1.00 . A A . 36 PHE CA 1 1 16 8358 1 1 36 PHE CB C 21.109 2.282 -9.624 1.00 . A A . 36 PHE CB 1 1 16 8359 1 1 36 PHE CD1 C 23.067 3.157 -10.930 1.00 . A A . 36 PHE CD1 1 1 16 8360 1 1 36 PHE CD2 C 22.609 4.112 -8.793 1.00 . A A . 36 PHE CD2 1 1 16 8361 1 1 36 PHE CE1 C 24.148 4.005 -11.079 1.00 . A A . 36 PHE CE1 1 1 16 8362 1 1 36 PHE CE2 C 23.689 4.962 -8.938 1.00 . A A . 36 PHE CE2 1 1 16 8363 1 1 36 PHE CG C 22.286 3.201 -9.786 1.00 . A A . 36 PHE CG 1 1 16 8364 1 1 36 PHE CZ C 24.459 4.908 -10.083 1.00 . A A . 36 PHE CZ 1 1 16 8365 1 1 36 PHE H H 18.575 4.015 -9.405 1.00 . A A . 36 PHE H 1 1 16 8366 1 1 36 PHE HA H 20.155 2.801 -11.477 1.00 . A A . 36 PHE HA 1 1 16 8367 1 1 36 PHE HB2 H 20.849 2.260 -8.576 1.00 . A A . 36 PHE HB2 1 1 16 8368 1 1 36 PHE HB3 H 21.414 1.292 -9.933 1.00 . A A . 36 PHE HB3 1 1 16 8369 1 1 36 PHE HD1 H 22.825 2.450 -11.709 1.00 . A A . 36 PHE HD1 1 1 16 8370 1 1 36 PHE HD2 H 22.009 4.154 -7.897 1.00 . A A . 36 PHE HD2 1 1 16 8371 1 1 36 PHE HE1 H 24.749 3.961 -11.976 1.00 . A A . 36 PHE HE1 1 1 16 8372 1 1 36 PHE HE2 H 23.930 5.667 -8.157 1.00 . A A . 36 PHE HE2 1 1 16 8373 1 1 36 PHE HZ H 25.304 5.572 -10.198 1.00 . A A . 36 PHE HZ 1 1 16 8374 1 1 36 PHE N N 19.373 3.992 -9.974 1.00 . A A . 36 PHE N 1 1 16 8375 1 1 36 PHE O O 18.880 0.742 -9.464 1.00 . A A . 36 PHE O 1 1 16 8376 1 1 37 TRP C C 15.871 0.846 -12.444 1.00 . A A . 37 TRP C 1 1 16 8377 1 1 37 TRP CA C 16.686 0.755 -11.158 1.00 . A A . 37 TRP CA 1 1 16 8378 1 1 37 TRP CB C 15.785 0.993 -9.944 1.00 . A A . 37 TRP CB 1 1 16 8379 1 1 37 TRP CD1 C 14.890 -1.407 -9.943 1.00 . A A . 37 TRP CD1 1 1 16 8380 1 1 37 TRP CD2 C 13.384 0.138 -9.343 1.00 . A A . 37 TRP CD2 1 1 16 8381 1 1 37 TRP CE2 C 12.769 -1.128 -9.301 1.00 . A A . 37 TRP CE2 1 1 16 8382 1 1 37 TRP CE3 C 12.629 1.264 -9.005 1.00 . A A . 37 TRP CE3 1 1 16 8383 1 1 37 TRP CG C 14.740 -0.063 -9.756 1.00 . A A . 37 TRP CG 1 1 16 8384 1 1 37 TRP CH2 C 10.722 -0.177 -8.607 1.00 . A A . 37 TRP CH2 1 1 16 8385 1 1 37 TRP CZ2 C 11.437 -1.297 -8.934 1.00 . A A . 37 TRP CZ2 1 1 16 8386 1 1 37 TRP CZ3 C 11.307 1.095 -8.640 1.00 . A A . 37 TRP CZ3 1 1 16 8387 1 1 37 TRP H H 17.771 2.448 -11.822 1.00 . A A . 37 TRP H 1 1 16 8388 1 1 37 TRP HA H 17.115 -0.236 -11.091 1.00 . A A . 37 TRP HA 1 1 16 8389 1 1 37 TRP HB2 H 16.394 1.018 -9.053 1.00 . A A . 37 TRP HB2 1 1 16 8390 1 1 37 TRP HB3 H 15.283 1.943 -10.058 1.00 . A A . 37 TRP HB3 1 1 16 8391 1 1 37 TRP HD1 H 15.808 -1.879 -10.260 1.00 . A A . 37 TRP HD1 1 1 16 8392 1 1 37 TRP HE1 H 13.563 -3.022 -9.733 1.00 . A A . 37 TRP HE1 1 1 16 8393 1 1 37 TRP HE3 H 13.062 2.254 -9.024 1.00 . A A . 37 TRP HE3 1 1 16 8394 1 1 37 TRP HH2 H 9.686 -0.262 -8.316 1.00 . A A . 37 TRP HH2 1 1 16 8395 1 1 37 TRP HZ2 H 10.972 -2.272 -8.901 1.00 . A A . 37 TRP HZ2 1 1 16 8396 1 1 37 TRP HZ3 H 10.708 1.954 -8.375 1.00 . A A . 37 TRP HZ3 1 1 16 8397 1 1 37 TRP N N 17.783 1.718 -11.169 1.00 . A A . 37 TRP N 1 1 16 8398 1 1 37 TRP NE1 N 13.709 -2.054 -9.672 1.00 . A A . 37 TRP NE1 1 1 16 8399 1 1 37 TRP O O 14.909 0.063 -12.591 1.00 . A A . 37 TRP O 1 1 16 8400 1 1 37 TRP OXT O 16.201 1.700 -13.294 1.00 . A A . 37 TRP OXT 1 1 17 8401 1 1 1 LYS C C -6.389 -4.904 5.219 1.00 . A A . 1 LYS C 1 1 17 8402 1 1 1 LYS CA C -7.379 -5.776 5.984 1.00 . A A . 1 LYS CA 1 1 17 8403 1 1 1 LYS CB C -8.255 -6.552 4.991 1.00 . A A . 1 LYS CB 1 1 17 8404 1 1 1 LYS CD C -10.003 -6.476 3.177 1.00 . A A . 1 LYS CD 1 1 17 8405 1 1 1 LYS CE C -10.989 -7.460 3.794 1.00 . A A . 1 LYS CE 1 1 17 8406 1 1 1 LYS CG C -9.250 -5.682 4.238 1.00 . A A . 1 LYS CG 1 1 17 8407 1 1 1 LYS HA H -6.834 -6.476 6.598 1.00 . A A . 1 LYS HA 1 1 17 8408 1 1 1 LYS HB2 H -7.616 -7.032 4.265 1.00 . A A . 1 LYS HB2 1 1 17 8409 1 1 1 LYS HB3 H -8.806 -7.310 5.527 1.00 . A A . 1 LYS HB3 1 1 17 8410 1 1 1 LYS HD2 H -10.546 -5.789 2.546 1.00 . A A . 1 LYS HD2 1 1 17 8411 1 1 1 LYS HD3 H -9.288 -7.023 2.580 1.00 . A A . 1 LYS HD3 1 1 17 8412 1 1 1 LYS HE2 H -11.033 -8.342 3.171 1.00 . A A . 1 LYS HE2 1 1 17 8413 1 1 1 LYS HE3 H -10.639 -7.736 4.777 1.00 . A A . 1 LYS HE3 1 1 17 8414 1 1 1 LYS HG2 H -9.959 -5.272 4.940 1.00 . A A . 1 LYS HG2 1 1 17 8415 1 1 1 LYS HG3 H -8.715 -4.879 3.753 1.00 . A A . 1 LYS HG3 1 1 17 8416 1 1 1 LYS HZ1 H -12.309 -5.864 4.086 1.00 . A A . 1 LYS HZ1 1 1 17 8417 1 1 1 LYS HZ2 H -12.873 -7.336 4.697 1.00 . A A . 1 LYS HZ2 1 1 17 8418 1 1 1 LYS HZ3 H -12.893 -7.049 3.031 1.00 . A A . 1 LYS HZ3 1 1 17 8419 1 1 1 LYS N N -8.254 -4.953 6.861 1.00 . A A . 1 LYS N 1 1 17 8420 1 1 1 LYS NZ N -12.362 -6.887 3.910 1.00 . A A . 1 LYS NZ 1 1 17 8421 1 1 1 LYS O O -6.759 -4.248 4.250 1.00 . A A . 1 LYS O 1 1 17 8422 1 1 2 TYR C C -3.628 -4.841 3.739 1.00 . A A . 2 TYR C 1 1 17 8423 1 1 2 TYR CA C -4.112 -4.108 4.976 1.00 . A A . 2 TYR CA 1 1 17 8424 1 1 2 TYR CB C -2.922 -3.831 5.887 1.00 . A A . 2 TYR CB 1 1 17 8425 1 1 2 TYR CD1 C -3.315 -1.513 6.702 1.00 . A A . 2 TYR CD1 1 1 17 8426 1 1 2 TYR CD2 C -1.501 -1.854 5.217 1.00 . A A . 2 TYR CD2 1 1 17 8427 1 1 2 TYR CE1 C -3.015 -0.170 6.767 1.00 . A A . 2 TYR CE1 1 1 17 8428 1 1 2 TYR CE2 C -1.195 -0.514 5.270 1.00 . A A . 2 TYR CE2 1 1 17 8429 1 1 2 TYR CG C -2.565 -2.372 5.938 1.00 . A A . 2 TYR CG 1 1 17 8430 1 1 2 TYR CZ C -1.953 0.325 6.049 1.00 . A A . 2 TYR CZ 1 1 17 8431 1 1 2 TYR H H -4.883 -5.442 6.427 1.00 . A A . 2 TYR H 1 1 17 8432 1 1 2 TYR HA H -4.557 -3.163 4.693 1.00 . A A . 2 TYR HA 1 1 17 8433 1 1 2 TYR HB2 H -3.160 -4.148 6.888 1.00 . A A . 2 TYR HB2 1 1 17 8434 1 1 2 TYR HB3 H -2.061 -4.374 5.531 1.00 . A A . 2 TYR HB3 1 1 17 8435 1 1 2 TYR HD1 H -4.153 -1.912 7.244 1.00 . A A . 2 TYR HD1 1 1 17 8436 1 1 2 TYR HD2 H -0.903 -2.511 4.611 1.00 . A A . 2 TYR HD2 1 1 17 8437 1 1 2 TYR HE1 H -3.609 0.485 7.380 1.00 . A A . 2 TYR HE1 1 1 17 8438 1 1 2 TYR HE2 H -0.371 -0.131 4.697 1.00 . A A . 2 TYR HE2 1 1 17 8439 1 1 2 TYR HH H -2.453 2.174 6.182 1.00 . A A . 2 TYR HH 1 1 17 8440 1 1 2 TYR N N -5.130 -4.902 5.649 1.00 . A A . 2 TYR N 1 1 17 8441 1 1 2 TYR O O -3.431 -6.056 3.764 1.00 . A A . 2 TYR O 1 1 17 8442 1 1 2 TYR OH O -1.648 1.664 6.099 1.00 . A A . 2 TYR OH 1 1 17 8443 1 1 3 TYR C C -1.505 -4.331 1.170 1.00 . A A . 3 TYR C 1 1 17 8444 1 1 3 TYR CA C -2.964 -4.692 1.413 1.00 . A A . 3 TYR CA 1 1 17 8445 1 1 3 TYR CB C -3.840 -4.205 0.253 1.00 . A A . 3 TYR CB 1 1 17 8446 1 1 3 TYR CD1 C -5.136 -6.312 -0.183 1.00 . A A . 3 TYR CD1 1 1 17 8447 1 1 3 TYR CD2 C -6.354 -4.335 0.319 1.00 . A A . 3 TYR CD2 1 1 17 8448 1 1 3 TYR CE1 C -6.318 -7.018 -0.292 1.00 . A A . 3 TYR CE1 1 1 17 8449 1 1 3 TYR CE2 C -7.541 -5.029 0.211 1.00 . A A . 3 TYR CE2 1 1 17 8450 1 1 3 TYR CG C -5.137 -4.963 0.125 1.00 . A A . 3 TYR CG 1 1 17 8451 1 1 3 TYR CZ C -7.518 -6.370 -0.095 1.00 . A A . 3 TYR CZ 1 1 17 8452 1 1 3 TYR H H -3.590 -3.129 2.711 1.00 . A A . 3 TYR H 1 1 17 8453 1 1 3 TYR HA H -3.054 -5.770 1.493 1.00 . A A . 3 TYR HA 1 1 17 8454 1 1 3 TYR HB2 H -4.080 -3.165 0.407 1.00 . A A . 3 TYR HB2 1 1 17 8455 1 1 3 TYR HB3 H -3.302 -4.312 -0.676 1.00 . A A . 3 TYR HB3 1 1 17 8456 1 1 3 TYR HD1 H -4.194 -6.810 -0.338 1.00 . A A . 3 TYR HD1 1 1 17 8457 1 1 3 TYR HD2 H -6.366 -3.288 0.563 1.00 . A A . 3 TYR HD2 1 1 17 8458 1 1 3 TYR HE1 H -6.298 -8.071 -0.530 1.00 . A A . 3 TYR HE1 1 1 17 8459 1 1 3 TYR HE2 H -8.476 -4.523 0.364 1.00 . A A . 3 TYR HE2 1 1 17 8460 1 1 3 TYR HH H -9.161 -6.789 -0.995 1.00 . A A . 3 TYR HH 1 1 17 8461 1 1 3 TYR N N -3.428 -4.101 2.663 1.00 . A A . 3 TYR N 1 1 17 8462 1 1 3 TYR O O -1.097 -4.086 0.036 1.00 . A A . 3 TYR O 1 1 17 8463 1 1 3 TYR OH O -8.698 -7.066 -0.201 1.00 . A A . 3 TYR OH 1 1 17 8464 1 1 4 GLY C C 0.939 -2.776 1.210 1.00 . A A . 4 GLY C 1 1 17 8465 1 1 4 GLY CA C 0.680 -3.925 2.167 1.00 . A A . 4 GLY CA 1 1 17 8466 1 1 4 GLY H H -1.127 -4.463 3.135 1.00 . A A . 4 GLY H 1 1 17 8467 1 1 4 GLY HA2 H 1.029 -3.642 3.146 1.00 . A A . 4 GLY HA2 1 1 17 8468 1 1 4 GLY HA3 H 1.235 -4.796 1.836 1.00 . A A . 4 GLY HA3 1 1 17 8469 1 1 4 GLY N N -0.730 -4.275 2.259 1.00 . A A . 4 GLY N 1 1 17 8470 1 1 4 GLY O O 2.030 -2.649 0.656 1.00 . A A . 4 GLY O 1 1 17 8471 1 1 5 ASN C C -0.849 0.335 0.648 1.00 . A A . 5 ASN C 1 1 17 8472 1 1 5 ASN CA C 0.008 -0.804 0.116 1.00 . A A . 5 ASN CA 1 1 17 8473 1 1 5 ASN CB C -0.463 -1.196 -1.289 1.00 . A A . 5 ASN CB 1 1 17 8474 1 1 5 ASN CG C 0.600 -0.949 -2.339 1.00 . A A . 5 ASN CG 1 1 17 8475 1 1 5 ASN H H -0.923 -2.111 1.481 1.00 . A A . 5 ASN H 1 1 17 8476 1 1 5 ASN HA H 1.041 -0.485 0.070 1.00 . A A . 5 ASN HA 1 1 17 8477 1 1 5 ASN HB2 H -0.716 -2.245 -1.298 1.00 . A A . 5 ASN HB2 1 1 17 8478 1 1 5 ASN HB3 H -1.342 -0.618 -1.546 1.00 . A A . 5 ASN HB3 1 1 17 8479 1 1 5 ASN HD21 H -0.248 0.781 -2.824 1.00 . A A . 5 ASN HD21 1 1 17 8480 1 1 5 ASN HD22 H 1.176 0.368 -3.710 1.00 . A A . 5 ASN HD22 1 1 17 8481 1 1 5 ASN N N -0.080 -1.948 1.011 1.00 . A A . 5 ASN N 1 1 17 8482 1 1 5 ASN ND2 N 0.499 0.180 -3.028 1.00 . A A . 5 ASN ND2 1 1 17 8483 1 1 5 ASN O O -1.494 1.052 -0.119 1.00 . A A . 5 ASN O 1 1 17 8484 1 1 5 ASN OD1 O 1.505 -1.762 -2.524 1.00 . A A . 5 ASN OD1 1 1 17 8485 1 1 6 GLY C C -3.129 1.444 2.110 1.00 . A A . 6 GLY C 1 1 17 8486 1 1 6 GLY CA C -1.688 1.516 2.571 1.00 . A A . 6 GLY CA 1 1 17 8487 1 1 6 GLY H H -0.365 -0.136 2.534 1.00 . A A . 6 GLY H 1 1 17 8488 1 1 6 GLY HA2 H -1.653 1.409 3.644 1.00 . A A . 6 GLY HA2 1 1 17 8489 1 1 6 GLY HA3 H -1.285 2.478 2.301 1.00 . A A . 6 GLY HA3 1 1 17 8490 1 1 6 GLY N N -0.879 0.478 1.968 1.00 . A A . 6 GLY N 1 1 17 8491 1 1 6 GLY O O -3.712 2.451 1.726 1.00 . A A . 6 GLY O 1 1 17 8492 1 1 7 VAL C C -5.776 -0.959 2.607 1.00 . A A . 7 VAL C 1 1 17 8493 1 1 7 VAL CA C -5.083 0.055 1.723 1.00 . A A . 7 VAL CA 1 1 17 8494 1 1 7 VAL CB C -5.202 -0.410 0.260 1.00 . A A . 7 VAL CB 1 1 17 8495 1 1 7 VAL CG1 C -6.629 -0.814 -0.035 1.00 . A A . 7 VAL CG1 1 1 17 8496 1 1 7 VAL CG2 C -4.790 0.692 -0.688 1.00 . A A . 7 VAL CG2 1 1 17 8497 1 1 7 VAL H H -3.183 -0.524 2.452 1.00 . A A . 7 VAL H 1 1 17 8498 1 1 7 VAL HA H -5.600 0.999 1.812 1.00 . A A . 7 VAL HA 1 1 17 8499 1 1 7 VAL HB H -4.560 -1.262 0.108 1.00 . A A . 7 VAL HB 1 1 17 8500 1 1 7 VAL HG11 H -6.719 -1.081 -1.077 1.00 . A A . 7 VAL HG11 1 1 17 8501 1 1 7 VAL HG12 H -7.274 0.023 0.187 1.00 . A A . 7 VAL HG12 1 1 17 8502 1 1 7 VAL HG13 H -6.900 -1.652 0.581 1.00 . A A . 7 VAL HG13 1 1 17 8503 1 1 7 VAL HG21 H -4.091 0.303 -1.412 1.00 . A A . 7 VAL HG21 1 1 17 8504 1 1 7 VAL HG22 H -4.334 1.490 -0.130 1.00 . A A . 7 VAL HG22 1 1 17 8505 1 1 7 VAL HG23 H -5.668 1.066 -1.197 1.00 . A A . 7 VAL HG23 1 1 17 8506 1 1 7 VAL N N -3.701 0.247 2.141 1.00 . A A . 7 VAL N 1 1 17 8507 1 1 7 VAL O O -5.533 -2.161 2.506 1.00 . A A . 7 VAL O 1 1 17 8508 1 1 8 HIS C C -8.888 -1.198 4.049 1.00 . A A . 8 HIS C 1 1 17 8509 1 1 8 HIS CA C -7.410 -1.322 4.346 1.00 . A A . 8 HIS CA 1 1 17 8510 1 1 8 HIS CB C -7.147 -0.985 5.821 1.00 . A A . 8 HIS CB 1 1 17 8511 1 1 8 HIS CD2 C -5.223 0.701 5.441 1.00 . A A . 8 HIS CD2 1 1 17 8512 1 1 8 HIS CE1 C -5.841 2.231 6.880 1.00 . A A . 8 HIS CE1 1 1 17 8513 1 1 8 HIS CG C -6.359 0.269 6.029 1.00 . A A . 8 HIS CG 1 1 17 8514 1 1 8 HIS H H -6.813 0.502 3.474 1.00 . A A . 8 HIS H 1 1 17 8515 1 1 8 HIS HA H -7.106 -2.335 4.152 1.00 . A A . 8 HIS HA 1 1 17 8516 1 1 8 HIS HB2 H -8.091 -0.867 6.328 1.00 . A A . 8 HIS HB2 1 1 17 8517 1 1 8 HIS HB3 H -6.603 -1.801 6.275 1.00 . A A . 8 HIS HB3 1 1 17 8518 1 1 8 HIS HD1 H -7.502 1.223 7.521 1.00 . A A . 8 HIS HD1 1 1 17 8519 1 1 8 HIS HD2 H -4.638 0.159 4.706 1.00 . A A . 8 HIS HD2 1 1 17 8520 1 1 8 HIS HE1 H -5.865 3.133 7.474 1.00 . A A . 8 HIS HE1 1 1 17 8521 1 1 8 HIS HE2 H -4.249 2.544 5.636 1.00 . A A . 8 HIS HE2 1 1 17 8522 1 1 8 HIS N N -6.656 -0.465 3.457 1.00 . A A . 8 HIS N 1 1 17 8523 1 1 8 HIS ND1 N -6.720 1.247 6.929 1.00 . A A . 8 HIS ND1 1 1 17 8524 1 1 8 HIS NE2 N -4.922 1.924 5.984 1.00 . A A . 8 HIS NE2 1 1 17 8525 1 1 8 HIS O O -9.365 -0.134 3.656 1.00 . A A . 8 HIS O 1 1 17 8526 1 1 9 CYS C C -11.788 -2.541 5.275 1.00 . A A . 9 CYS C 1 1 17 8527 1 1 9 CYS CA C -11.037 -2.268 3.988 1.00 . A A . 9 CYS CA 1 1 17 8528 1 1 9 CYS CB C -11.423 -3.274 2.914 1.00 . A A . 9 CYS CB 1 1 17 8529 1 1 9 CYS H H -9.184 -3.108 4.547 1.00 . A A . 9 CYS H 1 1 17 8530 1 1 9 CYS HA H -11.285 -1.282 3.655 1.00 . A A . 9 CYS HA 1 1 17 8531 1 1 9 CYS HB2 H -11.395 -4.264 3.335 1.00 . A A . 9 CYS HB2 1 1 17 8532 1 1 9 CYS HB3 H -12.423 -3.053 2.582 1.00 . A A . 9 CYS HB3 1 1 17 8533 1 1 9 CYS N N -9.614 -2.283 4.233 1.00 . A A . 9 CYS N 1 1 17 8534 1 1 9 CYS O O -12.124 -3.682 5.592 1.00 . A A . 9 CYS O 1 1 17 8535 1 1 9 CYS SG S -10.343 -3.262 1.452 1.00 . A A . 9 CYS SG 1 1 17 8536 1 1 10 THR C C -14.202 -1.237 7.152 1.00 . A A . 10 THR C 1 1 17 8537 1 1 10 THR CA C -12.731 -1.578 7.289 1.00 . A A . 10 THR CA 1 1 17 8538 1 1 10 THR CB C -12.092 -0.659 8.334 1.00 . A A . 10 THR CB 1 1 17 8539 1 1 10 THR CG2 C -10.583 -0.750 8.384 1.00 . A A . 10 THR CG2 1 1 17 8540 1 1 10 THR H H -11.731 -0.594 5.704 1.00 . A A . 10 THR H 1 1 17 8541 1 1 10 THR HA H -12.654 -2.596 7.630 1.00 . A A . 10 THR HA 1 1 17 8542 1 1 10 THR HB H -12.471 -0.927 9.309 1.00 . A A . 10 THR HB 1 1 17 8543 1 1 10 THR HG1 H -12.094 0.955 7.224 1.00 . A A . 10 THR HG1 1 1 17 8544 1 1 10 THR HG21 H -10.238 -0.473 9.371 1.00 . A A . 10 THR HG21 1 1 17 8545 1 1 10 THR HG22 H -10.157 -0.077 7.654 1.00 . A A . 10 THR HG22 1 1 17 8546 1 1 10 THR HG23 H -10.274 -1.761 8.167 1.00 . A A . 10 THR HG23 1 1 17 8547 1 1 10 THR N N -12.035 -1.473 6.018 1.00 . A A . 10 THR N 1 1 17 8548 1 1 10 THR O O -14.561 -0.191 6.623 1.00 . A A . 10 THR O 1 1 17 8549 1 1 10 THR OG1 O -12.431 0.694 8.084 1.00 . A A . 10 THR OG1 1 1 17 8550 1 1 11 LYS C C -17.082 -1.128 6.610 1.00 . A A . 11 LYS C 1 1 17 8551 1 1 11 LYS CA C -16.486 -2.018 7.706 1.00 . A A . 11 LYS CA 1 1 17 8552 1 1 11 LYS CB C -16.892 -1.477 9.069 1.00 . A A . 11 LYS CB 1 1 17 8553 1 1 11 LYS CD C -16.800 -1.918 11.543 1.00 . A A . 11 LYS CD 1 1 17 8554 1 1 11 LYS CE C -15.809 -1.686 12.671 1.00 . A A . 11 LYS CE 1 1 17 8555 1 1 11 LYS CG C -16.090 -2.076 10.211 1.00 . A A . 11 LYS CG 1 1 17 8556 1 1 11 LYS H H -14.625 -2.931 8.098 1.00 . A A . 11 LYS H 1 1 17 8557 1 1 11 LYS HA H -16.896 -3.009 7.602 1.00 . A A . 11 LYS HA 1 1 17 8558 1 1 11 LYS HB2 H -16.734 -0.410 9.074 1.00 . A A . 11 LYS HB2 1 1 17 8559 1 1 11 LYS HB3 H -17.935 -1.687 9.237 1.00 . A A . 11 LYS HB3 1 1 17 8560 1 1 11 LYS HD2 H -17.471 -1.075 11.485 1.00 . A A . 11 LYS HD2 1 1 17 8561 1 1 11 LYS HD3 H -17.363 -2.818 11.748 1.00 . A A . 11 LYS HD3 1 1 17 8562 1 1 11 LYS HE2 H -14.901 -2.227 12.451 1.00 . A A . 11 LYS HE2 1 1 17 8563 1 1 11 LYS HE3 H -15.593 -0.630 12.731 1.00 . A A . 11 LYS HE3 1 1 17 8564 1 1 11 LYS HG2 H -15.936 -3.127 10.018 1.00 . A A . 11 LYS HG2 1 1 17 8565 1 1 11 LYS HG3 H -15.133 -1.575 10.262 1.00 . A A . 11 LYS HG3 1 1 17 8566 1 1 11 LYS HZ1 H -17.382 -2.116 13.975 1.00 . A A . 11 LYS HZ1 1 1 17 8567 1 1 11 LYS HZ2 H -15.991 -1.537 14.745 1.00 . A A . 11 LYS HZ2 1 1 17 8568 1 1 11 LYS HZ3 H -16.036 -3.125 14.167 1.00 . A A . 11 LYS HZ3 1 1 17 8569 1 1 11 LYS N N -15.025 -2.140 7.678 1.00 . A A . 11 LYS N 1 1 17 8570 1 1 11 LYS NZ N -16.342 -2.148 13.981 1.00 . A A . 11 LYS NZ 1 1 17 8571 1 1 11 LYS O O -17.978 -1.554 5.882 1.00 . A A . 11 LYS O 1 1 17 8572 1 1 12 SER C C -16.535 0.819 4.143 1.00 . A A . 12 SER C 1 1 17 8573 1 1 12 SER CA C -17.138 1.046 5.526 1.00 . A A . 12 SER CA 1 1 17 8574 1 1 12 SER CB C -16.863 2.483 5.977 1.00 . A A . 12 SER CB 1 1 17 8575 1 1 12 SER H H -15.916 0.408 7.136 1.00 . A A . 12 SER H 1 1 17 8576 1 1 12 SER HA H -18.205 0.899 5.468 1.00 . A A . 12 SER HA 1 1 17 8577 1 1 12 SER HB2 H -17.399 3.169 5.338 1.00 . A A . 12 SER HB2 1 1 17 8578 1 1 12 SER HB3 H -17.196 2.610 6.998 1.00 . A A . 12 SER HB3 1 1 17 8579 1 1 12 SER HG H -15.361 3.704 5.666 1.00 . A A . 12 SER HG 1 1 17 8580 1 1 12 SER N N -16.612 0.109 6.513 1.00 . A A . 12 SER N 1 1 17 8581 1 1 12 SER O O -16.842 1.552 3.201 1.00 . A A . 12 SER O 1 1 17 8582 1 1 12 SER OG O -15.478 2.783 5.908 1.00 . A A . 12 SER OG 1 1 17 8583 1 1 13 GLY C C -13.591 -0.326 2.728 1.00 . A A . 13 GLY C 1 1 17 8584 1 1 13 GLY CA C -15.093 -0.494 2.723 1.00 . A A . 13 GLY CA 1 1 17 8585 1 1 13 GLY H H -15.488 -0.767 4.784 1.00 . A A . 13 GLY H 1 1 17 8586 1 1 13 GLY HA2 H -15.332 -1.511 2.450 1.00 . A A . 13 GLY HA2 1 1 17 8587 1 1 13 GLY HA3 H -15.512 0.172 1.984 1.00 . A A . 13 GLY HA3 1 1 17 8588 1 1 13 GLY N N -15.693 -0.203 4.010 1.00 . A A . 13 GLY N 1 1 17 8589 1 1 13 GLY O O -12.962 -0.339 3.785 1.00 . A A . 13 GLY O 1 1 17 8590 1 1 14 CYS C C -11.214 1.477 1.415 1.00 . A A . 14 CYS C 1 1 17 8591 1 1 14 CYS CA C -11.581 0.012 1.399 1.00 . A A . 14 CYS CA 1 1 17 8592 1 1 14 CYS CB C -11.079 -0.652 0.126 1.00 . A A . 14 CYS CB 1 1 17 8593 1 1 14 CYS H H -13.578 -0.163 0.737 1.00 . A A . 14 CYS H 1 1 17 8594 1 1 14 CYS HA H -11.099 -0.449 2.235 1.00 . A A . 14 CYS HA 1 1 17 8595 1 1 14 CYS HB2 H -11.501 -0.152 -0.729 1.00 . A A . 14 CYS HB2 1 1 17 8596 1 1 14 CYS HB3 H -10.003 -0.566 0.098 1.00 . A A . 14 CYS HB3 1 1 17 8597 1 1 14 CYS N N -13.017 -0.166 1.540 1.00 . A A . 14 CYS N 1 1 17 8598 1 1 14 CYS O O -11.843 2.305 0.756 1.00 . A A . 14 CYS O 1 1 17 8599 1 1 14 CYS SG S -11.492 -2.421 0.007 1.00 . A A . 14 CYS SG 1 1 17 8600 1 1 15 SER C C -8.169 3.146 2.295 1.00 . A A . 15 SER C 1 1 17 8601 1 1 15 SER CA C -9.688 3.139 2.310 1.00 . A A . 15 SER CA 1 1 17 8602 1 1 15 SER CB C -10.214 3.772 3.599 1.00 . A A . 15 SER CB 1 1 17 8603 1 1 15 SER H H -9.728 1.052 2.666 1.00 . A A . 15 SER H 1 1 17 8604 1 1 15 SER HA H -10.048 3.705 1.464 1.00 . A A . 15 SER HA 1 1 17 8605 1 1 15 SER HB2 H -10.238 3.028 4.380 1.00 . A A . 15 SER HB2 1 1 17 8606 1 1 15 SER HB3 H -9.561 4.581 3.893 1.00 . A A . 15 SER HB3 1 1 17 8607 1 1 15 SER HG H -11.529 4.901 2.683 1.00 . A A . 15 SER HG 1 1 17 8608 1 1 15 SER N N -10.180 1.777 2.178 1.00 . A A . 15 SER N 1 1 17 8609 1 1 15 SER O O -7.542 2.088 2.309 1.00 . A A . 15 SER O 1 1 17 8610 1 1 15 SER OG O -11.524 4.285 3.420 1.00 . A A . 15 SER OG 1 1 17 8611 1 1 16 VAL C C -5.607 5.483 3.187 1.00 . A A . 16 VAL C 1 1 17 8612 1 1 16 VAL CA C -6.126 4.439 2.210 1.00 . A A . 16 VAL CA 1 1 17 8613 1 1 16 VAL CB C -5.623 4.806 0.797 1.00 . A A . 16 VAL CB 1 1 17 8614 1 1 16 VAL CG1 C -4.118 4.966 0.789 1.00 . A A . 16 VAL CG1 1 1 17 8615 1 1 16 VAL CG2 C -6.020 3.761 -0.214 1.00 . A A . 16 VAL CG2 1 1 17 8616 1 1 16 VAL H H -8.124 5.146 2.221 1.00 . A A . 16 VAL H 1 1 17 8617 1 1 16 VAL HA H -5.715 3.477 2.474 1.00 . A A . 16 VAL HA 1 1 17 8618 1 1 16 VAL HB H -6.072 5.745 0.512 1.00 . A A . 16 VAL HB 1 1 17 8619 1 1 16 VAL HG11 H -3.872 5.996 0.954 1.00 . A A . 16 VAL HG11 1 1 17 8620 1 1 16 VAL HG12 H -3.729 4.644 -0.166 1.00 . A A . 16 VAL HG12 1 1 17 8621 1 1 16 VAL HG13 H -3.692 4.360 1.573 1.00 . A A . 16 VAL HG13 1 1 17 8622 1 1 16 VAL HG21 H -5.248 3.691 -0.967 1.00 . A A . 16 VAL HG21 1 1 17 8623 1 1 16 VAL HG22 H -6.955 4.044 -0.677 1.00 . A A . 16 VAL HG22 1 1 17 8624 1 1 16 VAL HG23 H -6.126 2.812 0.287 1.00 . A A . 16 VAL HG23 1 1 17 8625 1 1 16 VAL N N -7.577 4.332 2.245 1.00 . A A . 16 VAL N 1 1 17 8626 1 1 16 VAL O O -6.038 6.635 3.169 1.00 . A A . 16 VAL O 1 1 17 8627 1 1 17 ASN C C -3.156 6.993 4.198 1.00 . A A . 17 ASN C 1 1 17 8628 1 1 17 ASN CA C -4.041 6.013 4.958 1.00 . A A . 17 ASN CA 1 1 17 8629 1 1 17 ASN CB C -3.213 5.267 6.003 1.00 . A A . 17 ASN CB 1 1 17 8630 1 1 17 ASN CG C -3.940 5.138 7.327 1.00 . A A . 17 ASN CG 1 1 17 8631 1 1 17 ASN H H -4.320 4.162 3.966 1.00 . A A . 17 ASN H 1 1 17 8632 1 1 17 ASN HA H -4.829 6.560 5.449 1.00 . A A . 17 ASN HA 1 1 17 8633 1 1 17 ASN HB2 H -2.989 4.276 5.637 1.00 . A A . 17 ASN HB2 1 1 17 8634 1 1 17 ASN HB3 H -2.288 5.802 6.172 1.00 . A A . 17 ASN HB3 1 1 17 8635 1 1 17 ASN HD21 H -2.242 4.649 8.238 1.00 . A A . 17 ASN HD21 1 1 17 8636 1 1 17 ASN HD22 H -3.646 4.704 9.245 1.00 . A A . 17 ASN HD22 1 1 17 8637 1 1 17 ASN N N -4.648 5.086 4.015 1.00 . A A . 17 ASN N 1 1 17 8638 1 1 17 ASN ND2 N -3.201 4.796 8.376 1.00 . A A . 17 ASN ND2 1 1 17 8639 1 1 17 ASN O O -2.870 8.092 4.669 1.00 . A A . 17 ASN O 1 1 17 8640 1 1 17 ASN OD1 O -5.153 5.341 7.406 1.00 . A A . 17 ASN OD1 1 1 17 8641 1 1 18 TRP C C -0.510 7.570 2.745 1.00 . A A . 18 TRP C 1 1 17 8642 1 1 18 TRP CA C -1.881 7.382 2.145 1.00 . A A . 18 TRP CA 1 1 17 8643 1 1 18 TRP CB C -2.568 8.712 1.838 1.00 . A A . 18 TRP CB 1 1 17 8644 1 1 18 TRP CD1 C -5.054 8.599 1.238 1.00 . A A . 18 TRP CD1 1 1 17 8645 1 1 18 TRP CD2 C -3.664 8.079 -0.423 1.00 . A A . 18 TRP CD2 1 1 17 8646 1 1 18 TRP CE2 C -4.977 7.960 -0.894 1.00 . A A . 18 TRP CE2 1 1 17 8647 1 1 18 TRP CE3 C -2.607 7.802 -1.281 1.00 . A A . 18 TRP CE3 1 1 17 8648 1 1 18 TRP CG C -3.732 8.501 0.933 1.00 . A A . 18 TRP CG 1 1 17 8649 1 1 18 TRP CH2 C -4.211 7.302 -3.020 1.00 . A A . 18 TRP CH2 1 1 17 8650 1 1 18 TRP CZ2 C -5.265 7.571 -2.196 1.00 . A A . 18 TRP CZ2 1 1 17 8651 1 1 18 TRP CZ3 C -2.890 7.412 -2.574 1.00 . A A . 18 TRP CZ3 1 1 17 8652 1 1 18 TRP H H -2.993 5.685 2.703 1.00 . A A . 18 TRP H 1 1 17 8653 1 1 18 TRP HA H -1.755 6.842 1.218 1.00 . A A . 18 TRP HA 1 1 17 8654 1 1 18 TRP HB2 H -2.921 9.162 2.754 1.00 . A A . 18 TRP HB2 1 1 17 8655 1 1 18 TRP HB3 H -1.870 9.375 1.347 1.00 . A A . 18 TRP HB3 1 1 17 8656 1 1 18 TRP HD1 H -5.432 8.883 2.204 1.00 . A A . 18 TRP HD1 1 1 17 8657 1 1 18 TRP HE1 H -6.792 8.285 0.105 1.00 . A A . 18 TRP HE1 1 1 17 8658 1 1 18 TRP HE3 H -1.584 7.876 -0.940 1.00 . A A . 18 TRP HE3 1 1 17 8659 1 1 18 TRP HH2 H -4.389 6.988 -4.036 1.00 . A A . 18 TRP HH2 1 1 17 8660 1 1 18 TRP HZ2 H -6.279 7.483 -2.556 1.00 . A A . 18 TRP HZ2 1 1 17 8661 1 1 18 TRP HZ3 H -2.083 7.193 -3.258 1.00 . A A . 18 TRP HZ3 1 1 17 8662 1 1 18 TRP N N -2.726 6.571 3.009 1.00 . A A . 18 TRP N 1 1 17 8663 1 1 18 TRP NE1 N -5.812 8.280 0.141 1.00 . A A . 18 TRP NE1 1 1 17 8664 1 1 18 TRP O O 0.486 7.151 2.156 1.00 . A A . 18 TRP O 1 1 17 8665 1 1 19 GLY C C 1.494 6.970 4.781 1.00 . A A . 19 GLY C 1 1 17 8666 1 1 19 GLY CA C 0.840 8.321 4.550 1.00 . A A . 19 GLY CA 1 1 17 8667 1 1 19 GLY H H -1.261 8.454 4.375 1.00 . A A . 19 GLY H 1 1 17 8668 1 1 19 GLY HA2 H 1.469 8.910 3.892 1.00 . A A . 19 GLY HA2 1 1 17 8669 1 1 19 GLY HA3 H 0.719 8.835 5.492 1.00 . A A . 19 GLY HA3 1 1 17 8670 1 1 19 GLY N N -0.444 8.158 3.925 1.00 . A A . 19 GLY N 1 1 17 8671 1 1 19 GLY O O 2.719 6.860 4.803 1.00 . A A . 19 GLY O 1 1 17 8672 1 1 20 GLU C C 1.635 4.024 3.777 1.00 . A A . 20 GLU C 1 1 17 8673 1 1 20 GLU CA C 1.147 4.569 5.107 1.00 . A A . 20 GLU CA 1 1 17 8674 1 1 20 GLU CB C 0.040 3.662 5.652 1.00 . A A . 20 GLU CB 1 1 17 8675 1 1 20 GLU CD C 1.036 2.112 7.385 1.00 . A A . 20 GLU CD 1 1 17 8676 1 1 20 GLU CG C 0.191 3.348 7.132 1.00 . A A . 20 GLU CG 1 1 17 8677 1 1 20 GLU H H -0.309 6.090 4.871 1.00 . A A . 20 GLU H 1 1 17 8678 1 1 20 GLU HA H 1.969 4.596 5.808 1.00 . A A . 20 GLU HA 1 1 17 8679 1 1 20 GLU HB2 H -0.915 4.147 5.503 1.00 . A A . 20 GLU HB2 1 1 17 8680 1 1 20 GLU HB3 H 0.049 2.726 5.103 1.00 . A A . 20 GLU HB3 1 1 17 8681 1 1 20 GLU HG2 H 0.659 4.188 7.620 1.00 . A A . 20 GLU HG2 1 1 17 8682 1 1 20 GLU HG3 H -0.790 3.186 7.554 1.00 . A A . 20 GLU HG3 1 1 17 8683 1 1 20 GLU N N 0.659 5.933 4.920 1.00 . A A . 20 GLU N 1 1 17 8684 1 1 20 GLU O O 2.679 3.374 3.694 1.00 . A A . 20 GLU O 1 1 17 8685 1 1 20 GLU OE1 O 1.955 1.845 6.580 1.00 . A A . 20 GLU OE1 1 1 17 8686 1 1 20 GLU OE2 O 0.778 1.409 8.385 1.00 . A A . 20 GLU OE2 1 1 17 8687 1 1 21 ALA C C 2.405 4.636 0.896 1.00 . A A . 21 ALA C 1 1 17 8688 1 1 21 ALA CA C 1.191 3.881 1.389 1.00 . A A . 21 ALA CA 1 1 17 8689 1 1 21 ALA CB C 0.020 4.155 0.476 1.00 . A A . 21 ALA CB 1 1 17 8690 1 1 21 ALA H H 0.049 4.842 2.877 1.00 . A A . 21 ALA H 1 1 17 8691 1 1 21 ALA HA H 1.392 2.820 1.397 1.00 . A A . 21 ALA HA 1 1 17 8692 1 1 21 ALA HB1 H -0.796 3.499 0.731 1.00 . A A . 21 ALA HB1 1 1 17 8693 1 1 21 ALA HB2 H 0.319 3.990 -0.547 1.00 . A A . 21 ALA HB2 1 1 17 8694 1 1 21 ALA HB3 H -0.287 5.182 0.604 1.00 . A A . 21 ALA HB3 1 1 17 8695 1 1 21 ALA N N 0.864 4.312 2.735 1.00 . A A . 21 ALA N 1 1 17 8696 1 1 21 ALA O O 3.286 4.077 0.242 1.00 . A A . 21 ALA O 1 1 17 8697 1 1 22 PHE C C 4.834 6.163 1.493 1.00 . A A . 22 PHE C 1 1 17 8698 1 1 22 PHE CA C 3.576 6.761 0.894 1.00 . A A . 22 PHE CA 1 1 17 8699 1 1 22 PHE CB C 3.341 8.177 1.429 1.00 . A A . 22 PHE CB 1 1 17 8700 1 1 22 PHE CD1 C 5.642 9.149 1.678 1.00 . A A . 22 PHE CD1 1 1 17 8701 1 1 22 PHE CD2 C 4.186 10.088 0.042 1.00 . A A . 22 PHE CD2 1 1 17 8702 1 1 22 PHE CE1 C 6.628 10.051 1.320 1.00 . A A . 22 PHE CE1 1 1 17 8703 1 1 22 PHE CE2 C 5.167 10.992 -0.319 1.00 . A A . 22 PHE CE2 1 1 17 8704 1 1 22 PHE CG C 4.411 9.158 1.045 1.00 . A A . 22 PHE CG 1 1 17 8705 1 1 22 PHE CZ C 6.390 10.972 0.320 1.00 . A A . 22 PHE CZ 1 1 17 8706 1 1 22 PHE H H 1.737 6.282 1.804 1.00 . A A . 22 PHE H 1 1 17 8707 1 1 22 PHE HA H 3.662 6.784 -0.187 1.00 . A A . 22 PHE HA 1 1 17 8708 1 1 22 PHE HB2 H 2.403 8.543 1.042 1.00 . A A . 22 PHE HB2 1 1 17 8709 1 1 22 PHE HB3 H 3.287 8.140 2.511 1.00 . A A . 22 PHE HB3 1 1 17 8710 1 1 22 PHE HD1 H 5.831 8.429 2.460 1.00 . A A . 22 PHE HD1 1 1 17 8711 1 1 22 PHE HD2 H 3.228 10.108 -0.457 1.00 . A A . 22 PHE HD2 1 1 17 8712 1 1 22 PHE HE1 H 7.585 10.034 1.822 1.00 . A A . 22 PHE HE1 1 1 17 8713 1 1 22 PHE HE2 H 4.979 11.712 -1.103 1.00 . A A . 22 PHE HE2 1 1 17 8714 1 1 22 PHE HZ H 7.160 11.677 0.038 1.00 . A A . 22 PHE HZ 1 1 17 8715 1 1 22 PHE N N 2.460 5.912 1.256 1.00 . A A . 22 PHE N 1 1 17 8716 1 1 22 PHE O O 5.889 6.136 0.867 1.00 . A A . 22 PHE O 1 1 17 8717 1 1 23 SER C C 6.126 3.677 2.699 1.00 . A A . 23 SER C 1 1 17 8718 1 1 23 SER CA C 5.792 4.989 3.396 1.00 . A A . 23 SER CA 1 1 17 8719 1 1 23 SER CB C 5.438 4.734 4.862 1.00 . A A . 23 SER CB 1 1 17 8720 1 1 23 SER H H 3.797 5.673 3.125 1.00 . A A . 23 SER H 1 1 17 8721 1 1 23 SER HA H 6.654 5.641 3.343 1.00 . A A . 23 SER HA 1 1 17 8722 1 1 23 SER HB2 H 4.380 4.531 4.946 1.00 . A A . 23 SER HB2 1 1 17 8723 1 1 23 SER HB3 H 5.995 3.881 5.221 1.00 . A A . 23 SER HB3 1 1 17 8724 1 1 23 SER HG H 4.947 6.229 6.027 1.00 . A A . 23 SER HG 1 1 17 8725 1 1 23 SER N N 4.687 5.643 2.704 1.00 . A A . 23 SER N 1 1 17 8726 1 1 23 SER O O 7.261 3.206 2.744 1.00 . A A . 23 SER O 1 1 17 8727 1 1 23 SER OG O 5.754 5.857 5.666 1.00 . A A . 23 SER OG 1 1 17 8728 1 1 24 ALA C C 6.032 2.095 0.020 1.00 . A A . 24 ALA C 1 1 17 8729 1 1 24 ALA CA C 5.292 1.846 1.324 1.00 . A A . 24 ALA CA 1 1 17 8730 1 1 24 ALA CB C 3.933 1.226 1.043 1.00 . A A . 24 ALA CB 1 1 17 8731 1 1 24 ALA H H 4.242 3.526 2.048 1.00 . A A . 24 ALA H 1 1 17 8732 1 1 24 ALA HA H 5.861 1.166 1.939 1.00 . A A . 24 ALA HA 1 1 17 8733 1 1 24 ALA HB1 H 3.841 0.294 1.579 1.00 . A A . 24 ALA HB1 1 1 17 8734 1 1 24 ALA HB2 H 3.834 1.046 -0.018 1.00 . A A . 24 ALA HB2 1 1 17 8735 1 1 24 ALA HB3 H 3.157 1.905 1.363 1.00 . A A . 24 ALA HB3 1 1 17 8736 1 1 24 ALA N N 5.121 3.096 2.047 1.00 . A A . 24 ALA N 1 1 17 8737 1 1 24 ALA O O 7.033 1.447 -0.282 1.00 . A A . 24 ALA O 1 1 17 8738 1 1 25 GLY C C 7.516 3.944 -1.884 1.00 . A A . 25 GLY C 1 1 17 8739 1 1 25 GLY CA C 6.113 3.387 -2.024 1.00 . A A . 25 GLY CA 1 1 17 8740 1 1 25 GLY H H 4.709 3.512 -0.447 1.00 . A A . 25 GLY H 1 1 17 8741 1 1 25 GLY HA2 H 6.152 2.499 -2.639 1.00 . A A . 25 GLY HA2 1 1 17 8742 1 1 25 GLY HA3 H 5.494 4.120 -2.513 1.00 . A A . 25 GLY HA3 1 1 17 8743 1 1 25 GLY N N 5.515 3.044 -0.749 1.00 . A A . 25 GLY N 1 1 17 8744 1 1 25 GLY O O 8.379 3.651 -2.703 1.00 . A A . 25 GLY O 1 1 17 8745 1 1 26 VAL C C 10.082 4.252 -0.299 1.00 . A A . 26 VAL C 1 1 17 8746 1 1 26 VAL CA C 9.072 5.334 -0.633 1.00 . A A . 26 VAL CA 1 1 17 8747 1 1 26 VAL CB C 9.074 6.364 0.511 1.00 . A A . 26 VAL CB 1 1 17 8748 1 1 26 VAL CG1 C 10.480 6.888 0.748 1.00 . A A . 26 VAL CG1 1 1 17 8749 1 1 26 VAL CG2 C 8.130 7.509 0.210 1.00 . A A . 26 VAL CG2 1 1 17 8750 1 1 26 VAL H H 7.025 4.958 -0.225 1.00 . A A . 26 VAL H 1 1 17 8751 1 1 26 VAL HA H 9.381 5.832 -1.547 1.00 . A A . 26 VAL HA 1 1 17 8752 1 1 26 VAL HB H 8.737 5.873 1.417 1.00 . A A . 26 VAL HB 1 1 17 8753 1 1 26 VAL HG11 H 11.126 6.071 1.033 1.00 . A A . 26 VAL HG11 1 1 17 8754 1 1 26 VAL HG12 H 10.463 7.626 1.538 1.00 . A A . 26 VAL HG12 1 1 17 8755 1 1 26 VAL HG13 H 10.848 7.339 -0.161 1.00 . A A . 26 VAL HG13 1 1 17 8756 1 1 26 VAL HG21 H 7.253 7.130 -0.289 1.00 . A A . 26 VAL HG21 1 1 17 8757 1 1 26 VAL HG22 H 8.628 8.227 -0.425 1.00 . A A . 26 VAL HG22 1 1 17 8758 1 1 26 VAL HG23 H 7.843 7.984 1.136 1.00 . A A . 26 VAL HG23 1 1 17 8759 1 1 26 VAL N N 7.750 4.751 -0.851 1.00 . A A . 26 VAL N 1 1 17 8760 1 1 26 VAL O O 11.204 4.264 -0.796 1.00 . A A . 26 VAL O 1 1 17 8761 1 1 27 HIS C C 10.978 1.444 -0.328 1.00 . A A . 27 HIS C 1 1 17 8762 1 1 27 HIS CA C 10.567 2.217 0.916 1.00 . A A . 27 HIS CA 1 1 17 8763 1 1 27 HIS CB C 9.879 1.285 1.917 1.00 . A A . 27 HIS CB 1 1 17 8764 1 1 27 HIS CD2 C 9.226 1.391 4.420 1.00 . A A . 27 HIS CD2 1 1 17 8765 1 1 27 HIS CE1 C 9.402 3.554 4.694 1.00 . A A . 27 HIS CE1 1 1 17 8766 1 1 27 HIS CG C 9.609 1.926 3.237 1.00 . A A . 27 HIS CG 1 1 17 8767 1 1 27 HIS H H 8.770 3.336 0.900 1.00 . A A . 27 HIS H 1 1 17 8768 1 1 27 HIS HA H 11.449 2.648 1.376 1.00 . A A . 27 HIS HA 1 1 17 8769 1 1 27 HIS HB2 H 8.933 0.963 1.512 1.00 . A A . 27 HIS HB2 1 1 17 8770 1 1 27 HIS HB3 H 10.505 0.425 2.090 1.00 . A A . 27 HIS HB3 1 1 17 8771 1 1 27 HIS HD1 H 9.974 3.945 2.773 1.00 . A A . 27 HIS HD1 1 1 17 8772 1 1 27 HIS HD2 H 9.052 0.344 4.624 1.00 . A A . 27 HIS HD2 1 1 17 8773 1 1 27 HIS HE1 H 9.384 4.534 5.131 1.00 . A A . 27 HIS HE1 1 1 17 8774 1 1 27 HIS HE2 H 8.731 2.358 6.215 1.00 . A A . 27 HIS HE2 1 1 17 8775 1 1 27 HIS N N 9.678 3.305 0.536 1.00 . A A . 27 HIS N 1 1 17 8776 1 1 27 HIS ND1 N 9.710 3.280 3.444 1.00 . A A . 27 HIS ND1 1 1 17 8777 1 1 27 HIS NE2 N 9.106 2.425 5.310 1.00 . A A . 27 HIS NE2 1 1 17 8778 1 1 27 HIS O O 12.139 1.098 -0.504 1.00 . A A . 27 HIS O 1 1 17 8779 1 1 28 ARG C C 10.969 1.358 -3.462 1.00 . A A . 28 ARG C 1 1 17 8780 1 1 28 ARG CA C 10.257 0.466 -2.435 1.00 . A A . 28 ARG CA 1 1 17 8781 1 1 28 ARG CB C 8.927 -0.061 -2.993 1.00 . A A . 28 ARG CB 1 1 17 8782 1 1 28 ARG CD C 9.679 -1.946 -4.474 1.00 . A A . 28 ARG CD 1 1 17 8783 1 1 28 ARG CG C 8.998 -0.589 -4.415 1.00 . A A . 28 ARG CG 1 1 17 8784 1 1 28 ARG CZ C 11.705 -2.893 -5.502 1.00 . A A . 28 ARG CZ 1 1 17 8785 1 1 28 ARG H H 9.100 1.494 -0.996 1.00 . A A . 28 ARG H 1 1 17 8786 1 1 28 ARG HA H 10.900 -0.374 -2.205 1.00 . A A . 28 ARG HA 1 1 17 8787 1 1 28 ARG HB2 H 8.583 -0.865 -2.360 1.00 . A A . 28 ARG HB2 1 1 17 8788 1 1 28 ARG HB3 H 8.201 0.737 -2.967 1.00 . A A . 28 ARG HB3 1 1 17 8789 1 1 28 ARG HD2 H 9.747 -2.348 -3.473 1.00 . A A . 28 ARG HD2 1 1 17 8790 1 1 28 ARG HD3 H 9.085 -2.609 -5.087 1.00 . A A . 28 ARG HD3 1 1 17 8791 1 1 28 ARG HE H 11.427 -0.962 -5.079 1.00 . A A . 28 ARG HE 1 1 17 8792 1 1 28 ARG HG2 H 7.994 -0.685 -4.801 1.00 . A A . 28 ARG HG2 1 1 17 8793 1 1 28 ARG HG3 H 9.553 0.110 -5.022 1.00 . A A . 28 ARG HG3 1 1 17 8794 1 1 28 ARG HH11 H 10.280 -4.257 -5.053 1.00 . A A . 28 ARG HH11 1 1 17 8795 1 1 28 ARG HH12 H 11.708 -4.893 -5.796 1.00 . A A . 28 ARG HH12 1 1 17 8796 1 1 28 ARG HH21 H 13.304 -1.795 -6.061 1.00 . A A . 28 ARG HH21 1 1 17 8797 1 1 28 ARG HH22 H 13.427 -3.495 -6.369 1.00 . A A . 28 ARG HH22 1 1 17 8798 1 1 28 ARG N N 10.009 1.185 -1.193 1.00 . A A . 28 ARG N 1 1 17 8799 1 1 28 ARG NE N 11.019 -1.852 -5.038 1.00 . A A . 28 ARG NE 1 1 17 8800 1 1 28 ARG NH1 N 11.188 -4.114 -5.446 1.00 . A A . 28 ARG NH1 1 1 17 8801 1 1 28 ARG NH2 N 12.911 -2.713 -6.020 1.00 . A A . 28 ARG NH2 1 1 17 8802 1 1 28 ARG O O 11.888 0.914 -4.150 1.00 . A A . 28 ARG O 1 1 17 8803 1 1 29 LEU C C 12.516 3.990 -4.025 1.00 . A A . 29 LEU C 1 1 17 8804 1 1 29 LEU CA C 11.131 3.573 -4.490 1.00 . A A . 29 LEU CA 1 1 17 8805 1 1 29 LEU CB C 10.228 4.804 -4.635 1.00 . A A . 29 LEU CB 1 1 17 8806 1 1 29 LEU CD1 C 11.423 5.501 -6.739 1.00 . A A . 29 LEU CD1 1 1 17 8807 1 1 29 LEU CD2 C 9.773 7.044 -5.668 1.00 . A A . 29 LEU CD2 1 1 17 8808 1 1 29 LEU CG C 10.828 5.976 -5.421 1.00 . A A . 29 LEU CG 1 1 17 8809 1 1 29 LEU H H 9.817 2.916 -2.970 1.00 . A A . 29 LEU H 1 1 17 8810 1 1 29 LEU HA H 11.216 3.087 -5.445 1.00 . A A . 29 LEU HA 1 1 17 8811 1 1 29 LEU HB2 H 9.317 4.497 -5.129 1.00 . A A . 29 LEU HB2 1 1 17 8812 1 1 29 LEU HB3 H 9.976 5.157 -3.646 1.00 . A A . 29 LEU HB3 1 1 17 8813 1 1 29 LEU HD11 H 11.511 6.337 -7.416 1.00 . A A . 29 LEU HD11 1 1 17 8814 1 1 29 LEU HD12 H 10.778 4.752 -7.176 1.00 . A A . 29 LEU HD12 1 1 17 8815 1 1 29 LEU HD13 H 12.399 5.076 -6.561 1.00 . A A . 29 LEU HD13 1 1 17 8816 1 1 29 LEU HD21 H 10.014 7.585 -6.572 1.00 . A A . 29 LEU HD21 1 1 17 8817 1 1 29 LEU HD22 H 9.752 7.730 -4.834 1.00 . A A . 29 LEU HD22 1 1 17 8818 1 1 29 LEU HD23 H 8.806 6.577 -5.776 1.00 . A A . 29 LEU HD23 1 1 17 8819 1 1 29 LEU HG H 11.621 6.421 -4.838 1.00 . A A . 29 LEU HG 1 1 17 8820 1 1 29 LEU N N 10.540 2.617 -3.553 1.00 . A A . 29 LEU N 1 1 17 8821 1 1 29 LEU O O 13.517 3.763 -4.705 1.00 . A A . 29 LEU O 1 1 17 8822 1 1 30 ALA C C 14.612 3.877 -1.759 1.00 . A A . 30 ALA C 1 1 17 8823 1 1 30 ALA CA C 13.792 5.056 -2.254 1.00 . A A . 30 ALA CA 1 1 17 8824 1 1 30 ALA CB C 13.475 6.003 -1.110 1.00 . A A . 30 ALA CB 1 1 17 8825 1 1 30 ALA H H 11.714 4.736 -2.364 1.00 . A A . 30 ALA H 1 1 17 8826 1 1 30 ALA HA H 14.353 5.596 -3.002 1.00 . A A . 30 ALA HA 1 1 17 8827 1 1 30 ALA HB1 H 12.421 6.248 -1.135 1.00 . A A . 30 ALA HB1 1 1 17 8828 1 1 30 ALA HB2 H 14.059 6.905 -1.215 1.00 . A A . 30 ALA HB2 1 1 17 8829 1 1 30 ALA HB3 H 13.711 5.526 -0.169 1.00 . A A . 30 ALA HB3 1 1 17 8830 1 1 30 ALA N N 12.553 4.596 -2.852 1.00 . A A . 30 ALA N 1 1 17 8831 1 1 30 ALA O O 15.779 3.717 -2.121 1.00 . A A . 30 ALA O 1 1 17 8832 1 1 31 ASN C C 16.046 2.183 0.124 1.00 . A A . 31 ASN C 1 1 17 8833 1 1 31 ASN CA C 14.636 1.869 -0.375 1.00 . A A . 31 ASN CA 1 1 17 8834 1 1 31 ASN CB C 14.655 0.752 -1.430 1.00 . A A . 31 ASN CB 1 1 17 8835 1 1 31 ASN CG C 15.753 0.929 -2.463 1.00 . A A . 31 ASN CG 1 1 17 8836 1 1 31 ASN H H 13.057 3.239 -0.684 1.00 . A A . 31 ASN H 1 1 17 8837 1 1 31 ASN HA H 14.044 1.539 0.467 1.00 . A A . 31 ASN HA 1 1 17 8838 1 1 31 ASN HB2 H 14.790 -0.200 -0.941 1.00 . A A . 31 ASN HB2 1 1 17 8839 1 1 31 ASN HB3 H 13.706 0.746 -1.945 1.00 . A A . 31 ASN HB3 1 1 17 8840 1 1 31 ASN HD21 H 14.471 1.805 -3.705 1.00 . A A . 31 ASN HD21 1 1 17 8841 1 1 31 ASN HD22 H 16.090 1.648 -4.286 1.00 . A A . 31 ASN HD22 1 1 17 8842 1 1 31 ASN N N 13.986 3.050 -0.928 1.00 . A A . 31 ASN N 1 1 17 8843 1 1 31 ASN ND2 N 15.403 1.521 -3.600 1.00 . A A . 31 ASN ND2 1 1 17 8844 1 1 31 ASN O O 16.939 1.339 0.069 1.00 . A A . 31 ASN O 1 1 17 8845 1 1 31 ASN OD1 O 16.899 0.537 -2.244 1.00 . A A . 31 ASN OD1 1 1 17 8846 1 1 32 GLY C C 17.493 5.163 1.811 1.00 . A A . 32 GLY C 1 1 17 8847 1 1 32 GLY CA C 17.531 3.809 1.129 1.00 . A A . 32 GLY CA 1 1 17 8848 1 1 32 GLY H H 15.481 4.033 0.646 1.00 . A A . 32 GLY H 1 1 17 8849 1 1 32 GLY HA2 H 17.873 3.069 1.839 1.00 . A A . 32 GLY HA2 1 1 17 8850 1 1 32 GLY HA3 H 18.228 3.851 0.306 1.00 . A A . 32 GLY HA3 1 1 17 8851 1 1 32 GLY N N 16.233 3.404 0.621 1.00 . A A . 32 GLY N 1 1 17 8852 1 1 32 GLY O O 17.369 5.245 3.035 1.00 . A A . 32 GLY O 1 1 17 8853 1 1 33 GLY C C 18.403 8.544 0.752 1.00 . A A . 33 GLY C 1 1 17 8854 1 1 33 GLY CA C 17.579 7.570 1.572 1.00 . A A . 33 GLY CA 1 1 17 8855 1 1 33 GLY H H 17.699 6.096 0.055 1.00 . A A . 33 GLY H 1 1 17 8856 1 1 33 GLY HA2 H 16.557 7.916 1.606 1.00 . A A . 33 GLY HA2 1 1 17 8857 1 1 33 GLY HA3 H 17.972 7.541 2.578 1.00 . A A . 33 GLY HA3 1 1 17 8858 1 1 33 GLY N N 17.602 6.226 1.021 1.00 . A A . 33 GLY N 1 1 17 8859 1 1 33 GLY O O 19.628 8.575 0.864 1.00 . A A . 33 GLY O 1 1 17 8860 1 1 34 ASN C C 19.621 9.698 -1.615 1.00 . A A . 34 ASN C 1 1 17 8861 1 1 34 ASN CA C 18.397 10.313 -0.938 1.00 . A A . 34 ASN CA 1 1 17 8862 1 1 34 ASN CB C 18.798 11.559 -0.138 1.00 . A A . 34 ASN CB 1 1 17 8863 1 1 34 ASN CG C 19.686 11.240 1.048 1.00 . A A . 34 ASN CG 1 1 17 8864 1 1 34 ASN H H 16.751 9.253 -0.129 1.00 . A A . 34 ASN H 1 1 17 8865 1 1 34 ASN HA H 17.696 10.605 -1.705 1.00 . A A . 34 ASN HA 1 1 17 8866 1 1 34 ASN HB2 H 19.329 12.240 -0.786 1.00 . A A . 34 ASN HB2 1 1 17 8867 1 1 34 ASN HB3 H 17.903 12.043 0.228 1.00 . A A . 34 ASN HB3 1 1 17 8868 1 1 34 ASN HD21 H 18.106 11.218 2.253 1.00 . A A . 34 ASN HD21 1 1 17 8869 1 1 34 ASN HD22 H 19.629 10.899 3.006 1.00 . A A . 34 ASN HD22 1 1 17 8870 1 1 34 ASN N N 17.726 9.335 -0.083 1.00 . A A . 34 ASN N 1 1 17 8871 1 1 34 ASN ND2 N 19.079 11.106 2.221 1.00 . A A . 34 ASN ND2 1 1 17 8872 1 1 34 ASN O O 20.756 9.936 -1.207 1.00 . A A . 34 ASN O 1 1 17 8873 1 1 34 ASN OD1 O 20.904 11.119 0.915 1.00 . A A . 34 ASN OD1 1 1 17 8874 1 1 35 GLY C C 21.294 9.228 -4.166 1.00 . A A . 35 GLY C 1 1 17 8875 1 1 35 GLY CA C 20.462 8.252 -3.359 1.00 . A A . 35 GLY CA 1 1 17 8876 1 1 35 GLY H H 18.449 8.741 -2.923 1.00 . A A . 35 GLY H 1 1 17 8877 1 1 35 GLY HA2 H 21.101 7.758 -2.642 1.00 . A A . 35 GLY HA2 1 1 17 8878 1 1 35 GLY HA3 H 20.050 7.509 -4.026 1.00 . A A . 35 GLY HA3 1 1 17 8879 1 1 35 GLY N N 19.377 8.899 -2.647 1.00 . A A . 35 GLY N 1 1 17 8880 1 1 35 GLY O O 21.902 10.143 -3.611 1.00 . A A . 35 GLY O 1 1 17 8881 1 1 36 PHE C C 21.640 9.720 -7.816 1.00 . A A . 36 PHE C 1 1 17 8882 1 1 36 PHE CA C 22.088 9.898 -6.367 1.00 . A A . 36 PHE CA 1 1 17 8883 1 1 36 PHE CB C 23.587 9.604 -6.241 1.00 . A A . 36 PHE CB 1 1 17 8884 1 1 36 PHE CD1 C 24.426 11.919 -5.759 1.00 . A A . 36 PHE CD1 1 1 17 8885 1 1 36 PHE CD2 C 24.896 10.192 -4.181 1.00 . A A . 36 PHE CD2 1 1 17 8886 1 1 36 PHE CE1 C 25.094 12.831 -4.963 1.00 . A A . 36 PHE CE1 1 1 17 8887 1 1 36 PHE CE2 C 25.565 11.099 -3.382 1.00 . A A . 36 PHE CE2 1 1 17 8888 1 1 36 PHE CG C 24.319 10.591 -5.376 1.00 . A A . 36 PHE CG 1 1 17 8889 1 1 36 PHE CZ C 25.664 12.420 -3.774 1.00 . A A . 36 PHE CZ 1 1 17 8890 1 1 36 PHE H H 20.822 8.280 -5.860 1.00 . A A . 36 PHE H 1 1 17 8891 1 1 36 PHE HA H 21.903 10.922 -6.069 1.00 . A A . 36 PHE HA 1 1 17 8892 1 1 36 PHE HB2 H 23.720 8.624 -5.811 1.00 . A A . 36 PHE HB2 1 1 17 8893 1 1 36 PHE HB3 H 24.035 9.624 -7.223 1.00 . A A . 36 PHE HB3 1 1 17 8894 1 1 36 PHE HD1 H 23.980 12.241 -6.688 1.00 . A A . 36 PHE HD1 1 1 17 8895 1 1 36 PHE HD2 H 24.818 9.159 -3.875 1.00 . A A . 36 PHE HD2 1 1 17 8896 1 1 36 PHE HE1 H 25.171 13.862 -5.272 1.00 . A A . 36 PHE HE1 1 1 17 8897 1 1 36 PHE HE2 H 26.010 10.775 -2.453 1.00 . A A . 36 PHE HE2 1 1 17 8898 1 1 36 PHE HZ H 26.187 13.131 -3.151 1.00 . A A . 36 PHE HZ 1 1 17 8899 1 1 36 PHE N N 21.325 9.029 -5.479 1.00 . A A . 36 PHE N 1 1 17 8900 1 1 36 PHE O O 20.888 10.537 -8.346 1.00 . A A . 36 PHE O 1 1 17 8901 1 1 37 TRP C C 22.259 9.477 -10.759 1.00 . A A . 37 TRP C 1 1 17 8902 1 1 37 TRP CA C 21.758 8.367 -9.840 1.00 . A A . 37 TRP CA 1 1 17 8903 1 1 37 TRP CB C 20.243 8.204 -9.990 1.00 . A A . 37 TRP CB 1 1 17 8904 1 1 37 TRP CD1 C 20.109 5.967 -11.232 1.00 . A A . 37 TRP CD1 1 1 17 8905 1 1 37 TRP CD2 C 19.016 6.001 -9.278 1.00 . A A . 37 TRP CD2 1 1 17 8906 1 1 37 TRP CE2 C 18.867 4.724 -9.854 1.00 . A A . 37 TRP CE2 1 1 17 8907 1 1 37 TRP CE3 C 18.413 6.257 -8.044 1.00 . A A . 37 TRP CE3 1 1 17 8908 1 1 37 TRP CG C 19.815 6.780 -10.175 1.00 . A A . 37 TRP CG 1 1 17 8909 1 1 37 TRP CH2 C 17.561 3.988 -8.029 1.00 . A A . 37 TRP CH2 1 1 17 8910 1 1 37 TRP CZ2 C 18.140 3.710 -9.237 1.00 . A A . 37 TRP CZ2 1 1 17 8911 1 1 37 TRP CZ3 C 17.692 5.248 -7.433 1.00 . A A . 37 TRP CZ3 1 1 17 8912 1 1 37 TRP H H 22.706 8.035 -7.975 1.00 . A A . 37 TRP H 1 1 17 8913 1 1 37 TRP HA H 22.241 7.440 -10.119 1.00 . A A . 37 TRP HA 1 1 17 8914 1 1 37 TRP HB2 H 19.756 8.586 -9.107 1.00 . A A . 37 TRP HB2 1 1 17 8915 1 1 37 TRP HB3 H 19.910 8.767 -10.850 1.00 . A A . 37 TRP HB3 1 1 17 8916 1 1 37 TRP HD1 H 20.702 6.266 -12.083 1.00 . A A . 37 TRP HD1 1 1 17 8917 1 1 37 TRP HE1 H 19.612 3.972 -11.665 1.00 . A A . 37 TRP HE1 1 1 17 8918 1 1 37 TRP HE3 H 18.503 7.222 -7.568 1.00 . A A . 37 TRP HE3 1 1 17 8919 1 1 37 TRP HH2 H 16.987 3.231 -7.517 1.00 . A A . 37 TRP HH2 1 1 17 8920 1 1 37 TRP HZ2 H 18.029 2.733 -9.684 1.00 . A A . 37 TRP HZ2 1 1 17 8921 1 1 37 TRP HZ3 H 17.218 5.428 -6.479 1.00 . A A . 37 TRP HZ3 1 1 17 8922 1 1 37 TRP N N 22.108 8.650 -8.451 1.00 . A A . 37 TRP N 1 1 17 8923 1 1 37 TRP NE1 N 19.543 4.729 -11.046 1.00 . A A . 37 TRP NE1 1 1 17 8924 1 1 37 TRP O O 22.758 10.496 -10.237 1.00 . A A . 37 TRP O 1 1 17 8925 1 1 37 TRP OXT O 22.150 9.317 -11.993 1.00 . A A . 37 TRP OXT 1 1 18 8926 1 1 1 LYS C C -6.678 -4.610 5.965 1.00 . A A . 1 LYS C 1 1 18 8927 1 1 1 LYS CA C -7.746 -5.427 6.676 1.00 . A A . 1 LYS CA 1 1 18 8928 1 1 1 LYS CB C -8.336 -6.453 5.707 1.00 . A A . 1 LYS CB 1 1 18 8929 1 1 1 LYS CD C -9.958 -6.859 3.843 1.00 . A A . 1 LYS CD 1 1 18 8930 1 1 1 LYS CE C -11.386 -6.825 4.348 1.00 . A A . 1 LYS CE 1 1 18 8931 1 1 1 LYS CG C -9.107 -5.826 4.558 1.00 . A A . 1 LYS CG 1 1 18 8932 1 1 1 LYS HA H -7.306 -5.939 7.523 1.00 . A A . 1 LYS HA 1 1 18 8933 1 1 1 LYS HB2 H -7.532 -7.043 5.292 1.00 . A A . 1 LYS HB2 1 1 18 8934 1 1 1 LYS HB3 H -9.006 -7.100 6.250 1.00 . A A . 1 LYS HB3 1 1 18 8935 1 1 1 LYS HD2 H -9.953 -6.651 2.782 1.00 . A A . 1 LYS HD2 1 1 18 8936 1 1 1 LYS HD3 H -9.544 -7.840 4.023 1.00 . A A . 1 LYS HD3 1 1 18 8937 1 1 1 LYS HE2 H -11.383 -7.005 5.412 1.00 . A A . 1 LYS HE2 1 1 18 8938 1 1 1 LYS HE3 H -11.799 -5.848 4.150 1.00 . A A . 1 LYS HE3 1 1 18 8939 1 1 1 LYS HG2 H -9.749 -5.052 4.949 1.00 . A A . 1 LYS HG2 1 1 18 8940 1 1 1 LYS HG3 H -8.407 -5.395 3.857 1.00 . A A . 1 LYS HG3 1 1 18 8941 1 1 1 LYS HZ1 H -13.084 -8.030 4.253 1.00 . A A . 1 LYS HZ1 1 1 18 8942 1 1 1 LYS HZ2 H -11.701 -8.738 3.583 1.00 . A A . 1 LYS HZ2 1 1 18 8943 1 1 1 LYS HZ3 H -12.519 -7.519 2.742 1.00 . A A . 1 LYS HZ3 1 1 18 8944 1 1 1 LYS N N -8.839 -4.546 7.157 1.00 . A A . 1 LYS N 1 1 18 8945 1 1 1 LYS NZ N -12.231 -7.850 3.686 1.00 . A A . 1 LYS NZ 1 1 18 8946 1 1 1 LYS O O -6.939 -4.033 4.910 1.00 . A A . 1 LYS O 1 1 18 8947 1 1 2 TYR C C -3.825 -4.639 4.781 1.00 . A A . 2 TYR C 1 1 18 8948 1 1 2 TYR CA C -4.397 -3.814 5.910 1.00 . A A . 2 TYR CA 1 1 18 8949 1 1 2 TYR CB C -3.285 -3.501 6.908 1.00 . A A . 2 TYR CB 1 1 18 8950 1 1 2 TYR CD1 C -3.617 -1.093 7.423 1.00 . A A . 2 TYR CD1 1 1 18 8951 1 1 2 TYR CD2 C -1.697 -1.688 6.161 1.00 . A A . 2 TYR CD2 1 1 18 8952 1 1 2 TYR CE1 C -3.249 0.237 7.362 1.00 . A A . 2 TYR CE1 1 1 18 8953 1 1 2 TYR CE2 C -1.321 -0.369 6.086 1.00 . A A . 2 TYR CE2 1 1 18 8954 1 1 2 TYR CG C -2.851 -2.068 6.831 1.00 . A A . 2 TYR CG 1 1 18 8955 1 1 2 TYR CZ C -2.101 0.596 6.687 1.00 . A A . 2 TYR CZ 1 1 18 8956 1 1 2 TYR H H -5.304 -5.033 7.371 1.00 . A A . 2 TYR H 1 1 18 8957 1 1 2 TYR HA H -4.800 -2.882 5.529 1.00 . A A . 2 TYR HA 1 1 18 8958 1 1 2 TYR HB2 H -3.636 -3.690 7.912 1.00 . A A . 2 TYR HB2 1 1 18 8959 1 1 2 TYR HB3 H -2.425 -4.121 6.702 1.00 . A A . 2 TYR HB3 1 1 18 8960 1 1 2 TYR HD1 H -4.517 -1.391 7.931 1.00 . A A . 2 TYR HD1 1 1 18 8961 1 1 2 TYR HD2 H -1.088 -2.437 5.694 1.00 . A A . 2 TYR HD2 1 1 18 8962 1 1 2 TYR HE1 H -3.866 0.990 7.826 1.00 . A A . 2 TYR HE1 1 1 18 8963 1 1 2 TYR HE2 H -0.427 -0.098 5.541 1.00 . A A . 2 TYR HE2 1 1 18 8964 1 1 2 TYR HH H -2.378 2.411 6.126 1.00 . A A . 2 TYR HH 1 1 18 8965 1 1 2 TYR N N -5.472 -4.561 6.530 1.00 . A A . 2 TYR N 1 1 18 8966 1 1 2 TYR O O -3.659 -5.849 4.924 1.00 . A A . 2 TYR O 1 1 18 8967 1 1 2 TYR OH O -1.726 1.915 6.628 1.00 . A A . 2 TYR OH 1 1 18 8968 1 1 3 TYR C C -1.456 -4.411 2.430 1.00 . A A . 3 TYR C 1 1 18 8969 1 1 3 TYR CA C -2.945 -4.707 2.534 1.00 . A A . 3 TYR CA 1 1 18 8970 1 1 3 TYR CB C -3.670 -4.318 1.236 1.00 . A A . 3 TYR CB 1 1 18 8971 1 1 3 TYR CD1 C -5.022 -6.393 0.762 1.00 . A A . 3 TYR CD1 1 1 18 8972 1 1 3 TYR CD2 C -6.191 -4.357 1.144 1.00 . A A . 3 TYR CD2 1 1 18 8973 1 1 3 TYR CE1 C -6.225 -7.054 0.590 1.00 . A A . 3 TYR CE1 1 1 18 8974 1 1 3 TYR CE2 C -7.398 -5.004 0.974 1.00 . A A . 3 TYR CE2 1 1 18 8975 1 1 3 TYR CG C -4.987 -5.037 1.041 1.00 . A A . 3 TYR CG 1 1 18 8976 1 1 3 TYR CZ C -7.410 -6.356 0.697 1.00 . A A . 3 TYR CZ 1 1 18 8977 1 1 3 TYR H H -3.647 -3.023 3.614 1.00 . A A . 3 TYR H 1 1 18 8978 1 1 3 TYR HA H -3.080 -5.771 2.710 1.00 . A A . 3 TYR HA 1 1 18 8979 1 1 3 TYR HB2 H -3.874 -3.258 1.249 1.00 . A A . 3 TYR HB2 1 1 18 8980 1 1 3 TYR HB3 H -3.038 -4.551 0.392 1.00 . A A . 3 TYR HB3 1 1 18 8981 1 1 3 TYR HD1 H -4.094 -6.935 0.680 1.00 . A A . 3 TYR HD1 1 1 18 8982 1 1 3 TYR HD2 H -6.175 -3.307 1.363 1.00 . A A . 3 TYR HD2 1 1 18 8983 1 1 3 TYR HE1 H -6.233 -8.113 0.374 1.00 . A A . 3 TYR HE1 1 1 18 8984 1 1 3 TYR HE2 H -8.322 -4.451 1.057 1.00 . A A . 3 TYR HE2 1 1 18 8985 1 1 3 TYR HH H -8.889 -6.940 -0.386 1.00 . A A . 3 TYR HH 1 1 18 8986 1 1 3 TYR N N -3.509 -3.994 3.669 1.00 . A A . 3 TYR N 1 1 18 8987 1 1 3 TYR O O -0.909 -4.306 1.334 1.00 . A A . 3 TYR O 1 1 18 8988 1 1 3 TYR OH O -8.610 -7.010 0.531 1.00 . A A . 3 TYR OH 1 1 18 8989 1 1 4 GLY C C 1.023 -2.899 2.613 1.00 . A A . 4 GLY C 1 1 18 8990 1 1 4 GLY CA C 0.615 -3.950 3.627 1.00 . A A . 4 GLY CA 1 1 18 8991 1 1 4 GLY H H -1.310 -4.324 4.430 1.00 . A A . 4 GLY H 1 1 18 8992 1 1 4 GLY HA2 H 0.865 -3.594 4.616 1.00 . A A . 4 GLY HA2 1 1 18 8993 1 1 4 GLY HA3 H 1.171 -4.862 3.434 1.00 . A A . 4 GLY HA3 1 1 18 8994 1 1 4 GLY N N -0.810 -4.249 3.591 1.00 . A A . 4 GLY N 1 1 18 8995 1 1 4 GLY O O 2.183 -2.834 2.205 1.00 . A A . 4 GLY O 1 1 18 8996 1 1 5 ASN C C -0.557 0.188 1.576 1.00 . A A . 5 ASN C 1 1 18 8997 1 1 5 ASN CA C 0.304 -1.019 1.238 1.00 . A A . 5 ASN CA 1 1 18 8998 1 1 5 ASN CB C -0.027 -1.513 -0.175 1.00 . A A . 5 ASN CB 1 1 18 8999 1 1 5 ASN CG C 1.181 -2.076 -0.898 1.00 . A A . 5 ASN CG 1 1 18 9000 1 1 5 ASN H H -0.840 -2.178 2.576 1.00 . A A . 5 ASN H 1 1 18 9001 1 1 5 ASN HA H 1.350 -0.739 1.290 1.00 . A A . 5 ASN HA 1 1 18 9002 1 1 5 ASN HB2 H -0.779 -2.288 -0.115 1.00 . A A . 5 ASN HB2 1 1 18 9003 1 1 5 ASN HB3 H -0.417 -0.688 -0.754 1.00 . A A . 5 ASN HB3 1 1 18 9004 1 1 5 ASN HD21 H 0.290 -3.847 -1.080 1.00 . A A . 5 ASN HD21 1 1 18 9005 1 1 5 ASN HD22 H 1.879 -3.735 -1.747 1.00 . A A . 5 ASN HD22 1 1 18 9006 1 1 5 ASN N N 0.062 -2.076 2.207 1.00 . A A . 5 ASN N 1 1 18 9007 1 1 5 ASN ND2 N 1.109 -3.347 -1.279 1.00 . A A . 5 ASN ND2 1 1 18 9008 1 1 5 ASN O O -1.046 0.880 0.685 1.00 . A A . 5 ASN O 1 1 18 9009 1 1 5 ASN OD1 O 2.169 -1.375 -1.115 1.00 . A A . 5 ASN OD1 1 1 18 9010 1 1 6 GLY C C -2.990 1.434 2.662 1.00 . A A . 6 GLY C 1 1 18 9011 1 1 6 GLY CA C -1.615 1.512 3.292 1.00 . A A . 6 GLY CA 1 1 18 9012 1 1 6 GLY H H -0.386 -0.195 3.539 1.00 . A A . 6 GLY H 1 1 18 9013 1 1 6 GLY HA2 H -1.716 1.486 4.366 1.00 . A A . 6 GLY HA2 1 1 18 9014 1 1 6 GLY HA3 H -1.152 2.439 3.003 1.00 . A A . 6 GLY HA3 1 1 18 9015 1 1 6 GLY N N -0.774 0.410 2.870 1.00 . A A . 6 GLY N 1 1 18 9016 1 1 6 GLY O O -3.504 2.426 2.162 1.00 . A A . 6 GLY O 1 1 18 9017 1 1 7 VAL C C -5.752 -0.868 2.976 1.00 . A A . 7 VAL C 1 1 18 9018 1 1 7 VAL CA C -4.913 0.043 2.098 1.00 . A A . 7 VAL CA 1 1 18 9019 1 1 7 VAL CB C -4.849 -0.570 0.680 1.00 . A A . 7 VAL CB 1 1 18 9020 1 1 7 VAL CG1 C -6.231 -0.980 0.227 1.00 . A A . 7 VAL CG1 1 1 18 9021 1 1 7 VAL CG2 C -4.284 0.413 -0.318 1.00 . A A . 7 VAL CG2 1 1 18 9022 1 1 7 VAL H H -3.122 -0.515 3.092 1.00 . A A . 7 VAL H 1 1 18 9023 1 1 7 VAL HA H -5.401 1.001 2.022 1.00 . A A . 7 VAL HA 1 1 18 9024 1 1 7 VAL HB H -4.216 -1.447 0.703 1.00 . A A . 7 VAL HB 1 1 18 9025 1 1 7 VAL HG11 H -6.592 -1.781 0.844 1.00 . A A . 7 VAL HG11 1 1 18 9026 1 1 7 VAL HG12 H -6.191 -1.303 -0.804 1.00 . A A . 7 VAL HG12 1 1 18 9027 1 1 7 VAL HG13 H -6.888 -0.128 0.320 1.00 . A A . 7 VAL HG13 1 1 18 9028 1 1 7 VAL HG21 H -5.098 0.989 -0.734 1.00 . A A . 7 VAL HG21 1 1 18 9029 1 1 7 VAL HG22 H -3.781 -0.127 -1.107 1.00 . A A . 7 VAL HG22 1 1 18 9030 1 1 7 VAL HG23 H -3.595 1.074 0.174 1.00 . A A . 7 VAL HG23 1 1 18 9031 1 1 7 VAL N N -3.585 0.246 2.680 1.00 . A A . 7 VAL N 1 1 18 9032 1 1 7 VAL O O -5.578 -2.085 2.959 1.00 . A A . 7 VAL O 1 1 18 9033 1 1 8 HIS C C -8.963 -1.061 4.066 1.00 . A A . 8 HIS C 1 1 18 9034 1 1 8 HIS CA C -7.538 -1.076 4.593 1.00 . A A . 8 HIS CA 1 1 18 9035 1 1 8 HIS CB C -7.524 -0.589 6.048 1.00 . A A . 8 HIS CB 1 1 18 9036 1 1 8 HIS CD2 C -5.448 0.929 5.820 1.00 . A A . 8 HIS CD2 1 1 18 9037 1 1 8 HIS CE1 C -6.079 2.540 7.163 1.00 . A A . 8 HIS CE1 1 1 18 9038 1 1 8 HIS CG C -6.668 0.608 6.293 1.00 . A A . 8 HIS CG 1 1 18 9039 1 1 8 HIS H H -6.779 0.690 3.705 1.00 . A A . 8 HIS H 1 1 18 9040 1 1 8 HIS HA H -7.172 -2.087 4.558 1.00 . A A . 8 HIS HA 1 1 18 9041 1 1 8 HIS HB2 H -8.529 -0.336 6.344 1.00 . A A . 8 HIS HB2 1 1 18 9042 1 1 8 HIS HB3 H -7.163 -1.388 6.679 1.00 . A A . 8 HIS HB3 1 1 18 9043 1 1 8 HIS HD1 H -7.881 1.696 7.629 1.00 . A A . 8 HIS HD1 1 1 18 9044 1 1 8 HIS HD2 H -4.840 0.321 5.161 1.00 . A A . 8 HIS HD2 1 1 18 9045 1 1 8 HIS HE1 H -6.083 3.444 7.748 1.00 . A A . 8 HIS HE1 1 1 18 9046 1 1 8 HIS HE2 H -4.338 2.688 6.102 1.00 . A A . 8 HIS HE2 1 1 18 9047 1 1 8 HIS N N -6.673 -0.285 3.734 1.00 . A A . 8 HIS N 1 1 18 9048 1 1 8 HIS ND1 N -7.038 1.636 7.133 1.00 . A A . 8 HIS ND1 1 1 18 9049 1 1 8 HIS NE2 N -5.102 2.139 6.372 1.00 . A A . 8 HIS NE2 1 1 18 9050 1 1 8 HIS O O -9.482 -0.015 3.685 1.00 . A A . 8 HIS O 1 1 18 9051 1 1 9 CYS C C -11.909 -2.512 4.758 1.00 . A A . 9 CYS C 1 1 18 9052 1 1 9 CYS CA C -10.964 -2.320 3.578 1.00 . A A . 9 CYS CA 1 1 18 9053 1 1 9 CYS CB C -11.085 -3.446 2.559 1.00 . A A . 9 CYS CB 1 1 18 9054 1 1 9 CYS H H -9.139 -3.028 4.369 1.00 . A A . 9 CYS H 1 1 18 9055 1 1 9 CYS HA H -11.204 -1.391 3.104 1.00 . A A . 9 CYS HA 1 1 18 9056 1 1 9 CYS HB2 H -10.092 -3.799 2.325 1.00 . A A . 9 CYS HB2 1 1 18 9057 1 1 9 CYS HB3 H -11.661 -4.253 2.983 1.00 . A A . 9 CYS HB3 1 1 18 9058 1 1 9 CYS N N -9.597 -2.222 4.051 1.00 . A A . 9 CYS N 1 1 18 9059 1 1 9 CYS O O -12.365 -3.617 5.046 1.00 . A A . 9 CYS O 1 1 18 9060 1 1 9 CYS SG S -11.870 -2.949 0.992 1.00 . A A . 9 CYS SG 1 1 18 9061 1 1 10 THR C C -14.468 -0.995 6.258 1.00 . A A . 10 THR C 1 1 18 9062 1 1 10 THR CA C -13.041 -1.394 6.613 1.00 . A A . 10 THR CA 1 1 18 9063 1 1 10 THR CB C -12.490 -0.421 7.666 1.00 . A A . 10 THR CB 1 1 18 9064 1 1 10 THR CG2 C -10.981 -0.459 7.823 1.00 . A A . 10 THR CG2 1 1 18 9065 1 1 10 THR H H -11.764 -0.562 5.147 1.00 . A A . 10 THR H 1 1 18 9066 1 1 10 THR HA H -13.061 -2.381 7.022 1.00 . A A . 10 THR HA 1 1 18 9067 1 1 10 THR HB H -12.928 -0.666 8.624 1.00 . A A . 10 THR HB 1 1 18 9068 1 1 10 THR HG1 H -12.318 1.216 6.604 1.00 . A A . 10 THR HG1 1 1 18 9069 1 1 10 THR HG21 H -10.625 -1.466 7.675 1.00 . A A . 10 THR HG21 1 1 18 9070 1 1 10 THR HG22 H -10.715 -0.126 8.818 1.00 . A A . 10 THR HG22 1 1 18 9071 1 1 10 THR HG23 H -10.527 0.197 7.093 1.00 . A A . 10 THR HG23 1 1 18 9072 1 1 10 THR N N -12.176 -1.402 5.440 1.00 . A A . 10 THR N 1 1 18 9073 1 1 10 THR O O -14.844 -0.959 5.089 1.00 . A A . 10 THR O 1 1 18 9074 1 1 10 THR OG1 O -12.848 0.912 7.345 1.00 . A A . 10 THR OG1 1 1 18 9075 1 1 11 LYS C C -17.375 -1.037 6.067 1.00 . A A . 11 LYS C 1 1 18 9076 1 1 11 LYS CA C -16.640 -0.287 7.178 1.00 . A A . 11 LYS CA 1 1 18 9077 1 1 11 LYS CB C -16.706 1.223 6.940 1.00 . A A . 11 LYS CB 1 1 18 9078 1 1 11 LYS CD C -16.837 3.355 8.266 1.00 . A A . 11 LYS CD 1 1 18 9079 1 1 11 LYS CE C -17.900 4.371 8.653 1.00 . A A . 11 LYS CE 1 1 18 9080 1 1 11 LYS CG C -17.437 1.976 8.034 1.00 . A A . 11 LYS CG 1 1 18 9081 1 1 11 LYS H H -14.857 -0.747 8.194 1.00 . A A . 11 LYS H 1 1 18 9082 1 1 11 LYS HA H -17.126 -0.505 8.116 1.00 . A A . 11 LYS HA 1 1 18 9083 1 1 11 LYS HB2 H -15.699 1.606 6.879 1.00 . A A . 11 LYS HB2 1 1 18 9084 1 1 11 LYS HB3 H -17.211 1.414 6.005 1.00 . A A . 11 LYS HB3 1 1 18 9085 1 1 11 LYS HD2 H -16.112 3.289 9.063 1.00 . A A . 11 LYS HD2 1 1 18 9086 1 1 11 LYS HD3 H -16.350 3.682 7.359 1.00 . A A . 11 LYS HD3 1 1 18 9087 1 1 11 LYS HE2 H -18.875 3.933 8.496 1.00 . A A . 11 LYS HE2 1 1 18 9088 1 1 11 LYS HE3 H -17.781 4.617 9.697 1.00 . A A . 11 LYS HE3 1 1 18 9089 1 1 11 LYS HG2 H -18.471 2.085 7.746 1.00 . A A . 11 LYS HG2 1 1 18 9090 1 1 11 LYS HG3 H -17.373 1.405 8.948 1.00 . A A . 11 LYS HG3 1 1 18 9091 1 1 11 LYS HZ1 H -18.094 6.439 8.416 1.00 . A A . 11 LYS HZ1 1 1 18 9092 1 1 11 LYS HZ2 H -18.414 5.556 7.009 1.00 . A A . 11 LYS HZ2 1 1 18 9093 1 1 11 LYS HZ3 H -16.818 5.765 7.531 1.00 . A A . 11 LYS HZ3 1 1 18 9094 1 1 11 LYS N N -15.244 -0.694 7.300 1.00 . A A . 11 LYS N 1 1 18 9095 1 1 11 LYS NZ N -17.800 5.620 7.846 1.00 . A A . 11 LYS NZ 1 1 18 9096 1 1 11 LYS O O -18.043 -2.039 6.319 1.00 . A A . 11 LYS O 1 1 18 9097 1 1 12 SER C C -17.127 -0.948 2.418 1.00 . A A . 12 SER C 1 1 18 9098 1 1 12 SER CA C -17.923 -1.156 3.704 1.00 . A A . 12 SER CA 1 1 18 9099 1 1 12 SER CB C -19.335 -0.585 3.543 1.00 . A A . 12 SER CB 1 1 18 9100 1 1 12 SER H H -16.719 0.265 4.716 1.00 . A A . 12 SER H 1 1 18 9101 1 1 12 SER HA H -17.997 -2.214 3.898 1.00 . A A . 12 SER HA 1 1 18 9102 1 1 12 SER HB2 H -19.589 -0.545 2.493 1.00 . A A . 12 SER HB2 1 1 18 9103 1 1 12 SER HB3 H -20.040 -1.220 4.059 1.00 . A A . 12 SER HB3 1 1 18 9104 1 1 12 SER HG H -19.902 1.289 3.476 1.00 . A A . 12 SER HG 1 1 18 9105 1 1 12 SER N N -17.261 -0.539 4.847 1.00 . A A . 12 SER N 1 1 18 9106 1 1 12 SER O O -17.676 -1.039 1.320 1.00 . A A . 12 SER O 1 1 18 9107 1 1 12 SER OG O -19.420 0.722 4.082 1.00 . A A . 12 SER OG 1 1 18 9108 1 1 13 GLY C C -13.526 -0.330 1.736 1.00 . A A . 13 GLY C 1 1 18 9109 1 1 13 GLY CA C -14.997 -0.457 1.388 1.00 . A A . 13 GLY CA 1 1 18 9110 1 1 13 GLY H H -15.443 -0.612 3.452 1.00 . A A . 13 GLY H 1 1 18 9111 1 1 13 GLY HA2 H -15.126 -1.291 0.714 1.00 . A A . 13 GLY HA2 1 1 18 9112 1 1 13 GLY HA3 H -15.316 0.446 0.890 1.00 . A A . 13 GLY HA3 1 1 18 9113 1 1 13 GLY N N -15.833 -0.671 2.556 1.00 . A A . 13 GLY N 1 1 18 9114 1 1 13 GLY O O -13.139 -0.484 2.892 1.00 . A A . 13 GLY O 1 1 18 9115 1 1 14 CYS C C -10.890 1.562 1.127 1.00 . A A . 14 CYS C 1 1 18 9116 1 1 14 CYS CA C -11.272 0.107 0.932 1.00 . A A . 14 CYS CA 1 1 18 9117 1 1 14 CYS CB C -10.490 -0.502 -0.226 1.00 . A A . 14 CYS CB 1 1 18 9118 1 1 14 CYS H H -13.077 0.062 -0.173 1.00 . A A . 14 CYS H 1 1 18 9119 1 1 14 CYS HA H -11.005 -0.413 1.823 1.00 . A A . 14 CYS HA 1 1 18 9120 1 1 14 CYS HB2 H -10.982 -0.260 -1.152 1.00 . A A . 14 CYS HB2 1 1 18 9121 1 1 14 CYS HB3 H -9.499 -0.079 -0.225 1.00 . A A . 14 CYS HB3 1 1 18 9122 1 1 14 CYS N N -12.706 -0.048 0.730 1.00 . A A . 14 CYS N 1 1 18 9123 1 1 14 CYS O O -11.433 2.460 0.486 1.00 . A A . 14 CYS O 1 1 18 9124 1 1 14 CYS SG S -10.310 -2.319 -0.150 1.00 . A A . 14 CYS SG 1 1 18 9125 1 1 15 SER C C -7.933 3.098 2.457 1.00 . A A . 15 SER C 1 1 18 9126 1 1 15 SER CA C -9.449 3.110 2.333 1.00 . A A . 15 SER CA 1 1 18 9127 1 1 15 SER CB C -10.084 3.629 3.627 1.00 . A A . 15 SER CB 1 1 18 9128 1 1 15 SER H H -9.543 0.997 2.486 1.00 . A A . 15 SER H 1 1 18 9129 1 1 15 SER HA H -9.725 3.763 1.520 1.00 . A A . 15 SER HA 1 1 18 9130 1 1 15 SER HB2 H -9.614 3.156 4.476 1.00 . A A . 15 SER HB2 1 1 18 9131 1 1 15 SER HB3 H -9.943 4.698 3.690 1.00 . A A . 15 SER HB3 1 1 18 9132 1 1 15 SER HG H -11.872 3.799 4.416 1.00 . A A . 15 SER HG 1 1 18 9133 1 1 15 SER N N -9.936 1.773 2.022 1.00 . A A . 15 SER N 1 1 18 9134 1 1 15 SER O O -7.329 2.038 2.625 1.00 . A A . 15 SER O 1 1 18 9135 1 1 15 SER OG O -11.475 3.351 3.664 1.00 . A A . 15 SER OG 1 1 18 9136 1 1 16 VAL C C -5.411 5.444 3.420 1.00 . A A . 16 VAL C 1 1 18 9137 1 1 16 VAL CA C -5.869 4.369 2.430 1.00 . A A . 16 VAL CA 1 1 18 9138 1 1 16 VAL CB C -5.261 4.689 1.044 1.00 . A A . 16 VAL CB 1 1 18 9139 1 1 16 VAL CG1 C -3.751 4.796 1.132 1.00 . A A . 16 VAL CG1 1 1 18 9140 1 1 16 VAL CG2 C -5.628 3.640 0.015 1.00 . A A . 16 VAL CG2 1 1 18 9141 1 1 16 VAL H H -7.849 5.080 2.200 1.00 . A A . 16 VAL H 1 1 18 9142 1 1 16 VAL HA H -5.487 3.413 2.752 1.00 . A A . 16 VAL HA 1 1 18 9143 1 1 16 VAL HB H -5.654 5.638 0.714 1.00 . A A . 16 VAL HB 1 1 18 9144 1 1 16 VAL HG11 H -3.465 5.826 1.107 1.00 . A A . 16 VAL HG11 1 1 18 9145 1 1 16 VAL HG12 H -3.304 4.272 0.297 1.00 . A A . 16 VAL HG12 1 1 18 9146 1 1 16 VAL HG13 H -3.417 4.349 2.053 1.00 . A A . 16 VAL HG13 1 1 18 9147 1 1 16 VAL HG21 H -6.514 3.947 -0.525 1.00 . A A . 16 VAL HG21 1 1 18 9148 1 1 16 VAL HG22 H -5.812 2.700 0.510 1.00 . A A . 16 VAL HG22 1 1 18 9149 1 1 16 VAL HG23 H -4.803 3.528 -0.677 1.00 . A A . 16 VAL HG23 1 1 18 9150 1 1 16 VAL N N -7.319 4.271 2.351 1.00 . A A . 16 VAL N 1 1 18 9151 1 1 16 VAL O O -5.827 6.599 3.334 1.00 . A A . 16 VAL O 1 1 18 9152 1 1 17 ASN C C -3.075 6.991 4.594 1.00 . A A . 17 ASN C 1 1 18 9153 1 1 17 ASN CA C -3.967 5.991 5.318 1.00 . A A . 17 ASN CA 1 1 18 9154 1 1 17 ASN CB C -3.144 5.237 6.367 1.00 . A A . 17 ASN CB 1 1 18 9155 1 1 17 ASN CG C -3.884 5.057 7.682 1.00 . A A . 17 ASN CG 1 1 18 9156 1 1 17 ASN H H -4.219 4.126 4.337 1.00 . A A . 17 ASN H 1 1 18 9157 1 1 17 ASN HA H -4.780 6.514 5.802 1.00 . A A . 17 ASN HA 1 1 18 9158 1 1 17 ASN HB2 H -2.900 4.259 5.982 1.00 . A A . 17 ASN HB2 1 1 18 9159 1 1 17 ASN HB3 H -2.228 5.782 6.559 1.00 . A A . 17 ASN HB3 1 1 18 9160 1 1 17 ASN HD21 H -2.620 3.621 8.228 1.00 . A A . 17 ASN HD21 1 1 18 9161 1 1 17 ASN HD22 H -3.870 3.991 9.363 1.00 . A A . 17 ASN HD22 1 1 18 9162 1 1 17 ASN N N -4.526 5.056 4.339 1.00 . A A . 17 ASN N 1 1 18 9163 1 1 17 ASN ND2 N -3.410 4.130 8.507 1.00 . A A . 17 ASN ND2 1 1 18 9164 1 1 17 ASN O O -2.898 8.129 5.031 1.00 . A A . 17 ASN O 1 1 18 9165 1 1 17 ASN OD1 O -4.863 5.750 7.954 1.00 . A A . 17 ASN OD1 1 1 18 9166 1 1 18 TRP C C -0.264 7.483 3.280 1.00 . A A . 18 TRP C 1 1 18 9167 1 1 18 TRP CA C -1.625 7.323 2.642 1.00 . A A . 18 TRP CA 1 1 18 9168 1 1 18 TRP CB C -2.292 8.647 2.265 1.00 . A A . 18 TRP CB 1 1 18 9169 1 1 18 TRP CD1 C -4.763 8.446 1.592 1.00 . A A . 18 TRP CD1 1 1 18 9170 1 1 18 TRP CD2 C -3.313 7.961 -0.033 1.00 . A A . 18 TRP CD2 1 1 18 9171 1 1 18 TRP CE2 C -4.611 7.785 -0.532 1.00 . A A . 18 TRP CE2 1 1 18 9172 1 1 18 TRP CE3 C -2.231 7.720 -0.869 1.00 . A A . 18 TRP CE3 1 1 18 9173 1 1 18 TRP CG C -3.427 8.390 1.321 1.00 . A A . 18 TRP CG 1 1 18 9174 1 1 18 TRP CH2 C -3.772 7.135 -2.636 1.00 . A A . 18 TRP CH2 1 1 18 9175 1 1 18 TRP CZ2 C -4.855 7.369 -1.836 1.00 . A A . 18 TRP CZ2 1 1 18 9176 1 1 18 TRP CZ3 C -2.468 7.306 -2.163 1.00 . A A . 18 TRP CZ3 1 1 18 9177 1 1 18 TRP H H -2.697 5.608 3.215 1.00 . A A . 18 TRP H 1 1 18 9178 1 1 18 TRP HA H -1.471 6.757 1.731 1.00 . A A . 18 TRP HA 1 1 18 9179 1 1 18 TRP HB2 H -2.680 9.133 3.152 1.00 . A A . 18 TRP HB2 1 1 18 9180 1 1 18 TRP HB3 H -1.580 9.292 1.777 1.00 . A A . 18 TRP HB3 1 1 18 9181 1 1 18 TRP HD1 H -5.180 8.729 2.545 1.00 . A A . 18 TRP HD1 1 1 18 9182 1 1 18 TRP HE1 H -6.459 8.041 0.422 1.00 . A A . 18 TRP HE1 1 1 18 9183 1 1 18 TRP HE3 H -1.217 7.836 -0.509 1.00 . A A . 18 TRP HE3 1 1 18 9184 1 1 18 TRP HH2 H -3.915 6.802 -3.653 1.00 . A A . 18 TRP HH2 1 1 18 9185 1 1 18 TRP HZ2 H -5.855 7.227 -2.217 1.00 . A A . 18 TRP HZ2 1 1 18 9186 1 1 18 TRP HZ3 H -1.640 7.103 -2.828 1.00 . A A . 18 TRP HZ3 1 1 18 9187 1 1 18 TRP N N -2.509 6.525 3.483 1.00 . A A . 18 TRP N 1 1 18 9188 1 1 18 TRP NE1 N -5.480 8.080 0.482 1.00 . A A . 18 TRP NE1 1 1 18 9189 1 1 18 TRP O O 0.702 6.897 2.801 1.00 . A A . 18 TRP O 1 1 18 9190 1 1 19 GLY C C 1.729 6.984 5.270 1.00 . A A . 19 GLY C 1 1 18 9191 1 1 19 GLY CA C 1.117 8.355 5.021 1.00 . A A . 19 GLY CA 1 1 18 9192 1 1 19 GLY H H -0.963 8.655 4.746 1.00 . A A . 19 GLY H 1 1 18 9193 1 1 19 GLY HA2 H 1.775 8.923 4.374 1.00 . A A . 19 GLY HA2 1 1 18 9194 1 1 19 GLY HA3 H 1.000 8.871 5.960 1.00 . A A . 19 GLY HA3 1 1 18 9195 1 1 19 GLY N N -0.169 8.225 4.372 1.00 . A A . 19 GLY N 1 1 18 9196 1 1 19 GLY O O 2.952 6.823 5.252 1.00 . A A . 19 GLY O 1 1 18 9197 1 1 20 GLU C C 1.762 4.024 4.339 1.00 . A A . 20 GLU C 1 1 18 9198 1 1 20 GLU CA C 1.306 4.607 5.669 1.00 . A A . 20 GLU CA 1 1 18 9199 1 1 20 GLU CB C 0.176 3.747 6.252 1.00 . A A . 20 GLU CB 1 1 18 9200 1 1 20 GLU CD C 1.294 2.020 7.719 1.00 . A A . 20 GLU CD 1 1 18 9201 1 1 20 GLU CG C 0.444 3.275 7.673 1.00 . A A . 20 GLU CG 1 1 18 9202 1 1 20 GLU H H -0.099 6.175 5.436 1.00 . A A . 20 GLU H 1 1 18 9203 1 1 20 GLU HA H 2.140 4.623 6.352 1.00 . A A . 20 GLU HA 1 1 18 9204 1 1 20 GLU HB2 H -0.739 4.323 6.252 1.00 . A A . 20 GLU HB2 1 1 18 9205 1 1 20 GLU HB3 H 0.038 2.867 5.627 1.00 . A A . 20 GLU HB3 1 1 18 9206 1 1 20 GLU HG2 H 0.957 4.058 8.210 1.00 . A A . 20 GLU HG2 1 1 18 9207 1 1 20 GLU HG3 H -0.501 3.069 8.155 1.00 . A A . 20 GLU HG3 1 1 18 9208 1 1 20 GLU N N 0.861 5.984 5.461 1.00 . A A . 20 GLU N 1 1 18 9209 1 1 20 GLU O O 2.817 3.391 4.243 1.00 . A A . 20 GLU O 1 1 18 9210 1 1 20 GLU OE1 O 1.483 1.391 6.656 1.00 . A A . 20 GLU OE1 1 1 18 9211 1 1 20 GLU OE2 O 1.772 1.664 8.818 1.00 . A A . 20 GLU OE2 1 1 18 9212 1 1 21 ALA C C 2.451 4.545 1.420 1.00 . A A . 21 ALA C 1 1 18 9213 1 1 21 ALA CA C 1.263 3.791 1.964 1.00 . A A . 21 ALA CA 1 1 18 9214 1 1 21 ALA CB C 0.079 4.011 1.053 1.00 . A A . 21 ALA CB 1 1 18 9215 1 1 21 ALA H H 0.143 4.793 3.450 1.00 . A A . 21 ALA H 1 1 18 9216 1 1 21 ALA HA H 1.482 2.734 2.007 1.00 . A A . 21 ALA HA 1 1 18 9217 1 1 21 ALA HB1 H 0.321 3.664 0.061 1.00 . A A . 21 ALA HB1 1 1 18 9218 1 1 21 ALA HB2 H -0.144 5.067 1.020 1.00 . A A . 21 ALA HB2 1 1 18 9219 1 1 21 ALA HB3 H -0.775 3.473 1.432 1.00 . A A . 21 ALA HB3 1 1 18 9220 1 1 21 ALA N N 0.958 4.266 3.307 1.00 . A A . 21 ALA N 1 1 18 9221 1 1 21 ALA O O 3.289 3.994 0.712 1.00 . A A . 21 ALA O 1 1 18 9222 1 1 22 PHE C C 4.910 6.087 1.877 1.00 . A A . 22 PHE C 1 1 18 9223 1 1 22 PHE CA C 3.608 6.679 1.384 1.00 . A A . 22 PHE CA 1 1 18 9224 1 1 22 PHE CB C 3.400 8.063 1.984 1.00 . A A . 22 PHE CB 1 1 18 9225 1 1 22 PHE CD1 C 4.293 9.713 0.332 1.00 . A A . 22 PHE CD1 1 1 18 9226 1 1 22 PHE CD2 C 5.483 9.373 2.364 1.00 . A A . 22 PHE CD2 1 1 18 9227 1 1 22 PHE CE1 C 5.221 10.656 -0.060 1.00 . A A . 22 PHE CE1 1 1 18 9228 1 1 22 PHE CE2 C 6.419 10.311 1.979 1.00 . A A . 22 PHE CE2 1 1 18 9229 1 1 22 PHE CG C 4.415 9.068 1.548 1.00 . A A . 22 PHE CG 1 1 18 9230 1 1 22 PHE CZ C 6.286 10.957 0.767 1.00 . A A . 22 PHE CZ 1 1 18 9231 1 1 22 PHE H H 1.824 6.178 2.377 1.00 . A A . 22 PHE H 1 1 18 9232 1 1 22 PHE HA H 3.621 6.743 0.302 1.00 . A A . 22 PHE HA 1 1 18 9233 1 1 22 PHE HB2 H 2.427 8.428 1.699 1.00 . A A . 22 PHE HB2 1 1 18 9234 1 1 22 PHE HB3 H 3.451 7.986 3.062 1.00 . A A . 22 PHE HB3 1 1 18 9235 1 1 22 PHE HD1 H 3.467 9.467 -0.316 1.00 . A A . 22 PHE HD1 1 1 18 9236 1 1 22 PHE HD2 H 5.590 8.853 3.305 1.00 . A A . 22 PHE HD2 1 1 18 9237 1 1 22 PHE HE1 H 5.118 11.153 -1.011 1.00 . A A . 22 PHE HE1 1 1 18 9238 1 1 22 PHE HE2 H 7.248 10.549 2.629 1.00 . A A . 22 PHE HE2 1 1 18 9239 1 1 22 PHE HZ H 7.015 11.693 0.463 1.00 . A A . 22 PHE HZ 1 1 18 9240 1 1 22 PHE N N 2.523 5.815 1.792 1.00 . A A . 22 PHE N 1 1 18 9241 1 1 22 PHE O O 5.922 6.124 1.191 1.00 . A A . 22 PHE O 1 1 18 9242 1 1 23 SER C C 6.318 3.587 2.877 1.00 . A A . 23 SER C 1 1 18 9243 1 1 23 SER CA C 6.030 4.871 3.651 1.00 . A A . 23 SER CA 1 1 18 9244 1 1 23 SER CB C 5.815 4.559 5.135 1.00 . A A . 23 SER CB 1 1 18 9245 1 1 23 SER H H 4.004 5.518 3.556 1.00 . A A . 23 SER H 1 1 18 9246 1 1 23 SER HA H 6.874 5.543 3.541 1.00 . A A . 23 SER HA 1 1 18 9247 1 1 23 SER HB2 H 4.757 4.476 5.337 1.00 . A A . 23 SER HB2 1 1 18 9248 1 1 23 SER HB3 H 6.299 3.624 5.374 1.00 . A A . 23 SER HB3 1 1 18 9249 1 1 23 SER HG H 6.092 6.434 5.621 1.00 . A A . 23 SER HG 1 1 18 9250 1 1 23 SER N N 4.858 5.521 3.071 1.00 . A A . 23 SER N 1 1 18 9251 1 1 23 SER O O 7.460 3.135 2.793 1.00 . A A . 23 SER O 1 1 18 9252 1 1 23 SER OG O 6.359 5.577 5.957 1.00 . A A . 23 SER OG 1 1 18 9253 1 1 24 ALA C C 5.969 2.099 0.151 1.00 . A A . 24 ALA C 1 1 18 9254 1 1 24 ALA CA C 5.377 1.791 1.521 1.00 . A A . 24 ALA CA 1 1 18 9255 1 1 24 ALA CB C 4.014 1.138 1.371 1.00 . A A . 24 ALA CB 1 1 18 9256 1 1 24 ALA H H 4.382 3.429 2.406 1.00 . A A . 24 ALA H 1 1 18 9257 1 1 24 ALA HA H 6.029 1.109 2.046 1.00 . A A . 24 ALA HA 1 1 18 9258 1 1 24 ALA HB1 H 3.400 1.386 2.224 1.00 . A A . 24 ALA HB1 1 1 18 9259 1 1 24 ALA HB2 H 4.132 0.067 1.310 1.00 . A A . 24 ALA HB2 1 1 18 9260 1 1 24 ALA HB3 H 3.538 1.500 0.470 1.00 . A A . 24 ALA HB3 1 1 18 9261 1 1 24 ALA N N 5.262 3.013 2.304 1.00 . A A . 24 ALA N 1 1 18 9262 1 1 24 ALA O O 6.945 1.478 -0.269 1.00 . A A . 24 ALA O 1 1 18 9263 1 1 25 GLY C C 7.288 3.973 -1.774 1.00 . A A . 25 GLY C 1 1 18 9264 1 1 25 GLY CA C 5.868 3.452 -1.842 1.00 . A A . 25 GLY CA 1 1 18 9265 1 1 25 GLY H H 4.609 3.533 -0.150 1.00 . A A . 25 GLY H 1 1 18 9266 1 1 25 GLY HA2 H 5.840 2.591 -2.494 1.00 . A A . 25 GLY HA2 1 1 18 9267 1 1 25 GLY HA3 H 5.234 4.217 -2.256 1.00 . A A . 25 GLY HA3 1 1 18 9268 1 1 25 GLY N N 5.376 3.070 -0.535 1.00 . A A . 25 GLY N 1 1 18 9269 1 1 25 GLY O O 8.121 3.602 -2.594 1.00 . A A . 25 GLY O 1 1 18 9270 1 1 26 VAL C C 9.972 4.297 -0.501 1.00 . A A . 26 VAL C 1 1 18 9271 1 1 26 VAL CA C 8.923 5.393 -0.665 1.00 . A A . 26 VAL CA 1 1 18 9272 1 1 26 VAL CB C 9.033 6.349 0.540 1.00 . A A . 26 VAL CB 1 1 18 9273 1 1 26 VAL CG1 C 10.440 6.906 0.678 1.00 . A A . 26 VAL CG1 1 1 18 9274 1 1 26 VAL CG2 C 8.041 7.475 0.415 1.00 . A A . 26 VAL CG2 1 1 18 9275 1 1 26 VAL H H 6.867 5.128 -0.168 1.00 . A A . 26 VAL H 1 1 18 9276 1 1 26 VAL HA H 9.143 5.952 -1.567 1.00 . A A . 26 VAL HA 1 1 18 9277 1 1 26 VAL HB H 8.799 5.794 1.440 1.00 . A A . 26 VAL HB 1 1 18 9278 1 1 26 VAL HG11 H 10.838 7.125 -0.301 1.00 . A A . 26 VAL HG11 1 1 18 9279 1 1 26 VAL HG12 H 11.070 6.181 1.171 1.00 . A A . 26 VAL HG12 1 1 18 9280 1 1 26 VAL HG13 H 10.410 7.814 1.264 1.00 . A A . 26 VAL HG13 1 1 18 9281 1 1 26 VAL HG21 H 8.300 8.088 -0.434 1.00 . A A . 26 VAL HG21 1 1 18 9282 1 1 26 VAL HG22 H 8.065 8.069 1.317 1.00 . A A . 26 VAL HG22 1 1 18 9283 1 1 26 VAL HG23 H 7.055 7.060 0.279 1.00 . A A . 26 VAL HG23 1 1 18 9284 1 1 26 VAL N N 7.576 4.840 -0.800 1.00 . A A . 26 VAL N 1 1 18 9285 1 1 26 VAL O O 11.012 4.351 -1.137 1.00 . A A . 26 VAL O 1 1 18 9286 1 1 27 HIS C C 10.952 1.534 -0.800 1.00 . A A . 27 HIS C 1 1 18 9287 1 1 27 HIS CA C 10.690 2.232 0.527 1.00 . A A . 27 HIS CA 1 1 18 9288 1 1 27 HIS CB C 10.196 1.213 1.558 1.00 . A A . 27 HIS CB 1 1 18 9289 1 1 27 HIS CD2 C 10.225 1.128 4.144 1.00 . A A . 27 HIS CD2 1 1 18 9290 1 1 27 HIS CE1 C 9.953 3.268 4.520 1.00 . A A . 27 HIS CE1 1 1 18 9291 1 1 27 HIS CG C 10.140 1.752 2.944 1.00 . A A . 27 HIS CG 1 1 18 9292 1 1 27 HIS H H 8.866 3.285 0.833 1.00 . A A . 27 HIS H 1 1 18 9293 1 1 27 HIS HA H 11.612 2.677 0.880 1.00 . A A . 27 HIS HA 1 1 18 9294 1 1 27 HIS HB2 H 9.201 0.889 1.294 1.00 . A A . 27 HIS HB2 1 1 18 9295 1 1 27 HIS HB3 H 10.859 0.364 1.560 1.00 . A A . 27 HIS HB3 1 1 18 9296 1 1 27 HIS HD1 H 9.882 3.799 2.554 1.00 . A A . 27 HIS HD1 1 1 18 9297 1 1 27 HIS HD2 H 10.358 0.066 4.309 1.00 . A A . 27 HIS HD2 1 1 18 9298 1 1 27 HIS HE1 H 9.821 4.212 5.015 1.00 . A A . 27 HIS HE1 1 1 18 9299 1 1 27 HIS HE2 H 10.061 1.934 6.075 1.00 . A A . 27 HIS HE2 1 1 18 9300 1 1 27 HIS N N 9.714 3.302 0.336 1.00 . A A . 27 HIS N 1 1 18 9301 1 1 27 HIS ND1 N 9.971 3.086 3.217 1.00 . A A . 27 HIS ND1 1 1 18 9302 1 1 27 HIS NE2 N 10.105 2.094 5.109 1.00 . A A . 27 HIS NE2 1 1 18 9303 1 1 27 HIS O O 12.091 1.261 -1.161 1.00 . A A . 27 HIS O 1 1 18 9304 1 1 28 ARG C C 10.582 1.533 -3.878 1.00 . A A . 28 ARG C 1 1 18 9305 1 1 28 ARG CA C 9.982 0.601 -2.820 1.00 . A A . 28 ARG CA 1 1 18 9306 1 1 28 ARG CB C 8.594 0.128 -3.256 1.00 . A A . 28 ARG CB 1 1 18 9307 1 1 28 ARG CD C 9.347 -1.773 -4.721 1.00 . A A . 28 ARG CD 1 1 18 9308 1 1 28 ARG CG C 8.559 -0.472 -4.650 1.00 . A A . 28 ARG CG 1 1 18 9309 1 1 28 ARG CZ C 9.290 -4.010 -3.687 1.00 . A A . 28 ARG CZ 1 1 18 9310 1 1 28 ARG H H 9.001 1.504 -1.183 1.00 . A A . 28 ARG H 1 1 18 9311 1 1 28 ARG HA H 10.625 -0.258 -2.707 1.00 . A A . 28 ARG HA 1 1 18 9312 1 1 28 ARG HB2 H 8.246 -0.617 -2.559 1.00 . A A . 28 ARG HB2 1 1 18 9313 1 1 28 ARG HB3 H 7.918 0.969 -3.234 1.00 . A A . 28 ARG HB3 1 1 18 9314 1 1 28 ARG HD2 H 9.230 -2.198 -5.708 1.00 . A A . 28 ARG HD2 1 1 18 9315 1 1 28 ARG HD3 H 10.390 -1.556 -4.545 1.00 . A A . 28 ARG HD3 1 1 18 9316 1 1 28 ARG HE H 8.246 -2.434 -3.058 1.00 . A A . 28 ARG HE 1 1 18 9317 1 1 28 ARG HG2 H 7.531 -0.666 -4.917 1.00 . A A . 28 ARG HG2 1 1 18 9318 1 1 28 ARG HG3 H 8.983 0.238 -5.344 1.00 . A A . 28 ARG HG3 1 1 18 9319 1 1 28 ARG HH11 H 10.513 -3.866 -5.292 1.00 . A A . 28 ARG HH11 1 1 18 9320 1 1 28 ARG HH12 H 10.453 -5.427 -4.542 1.00 . A A . 28 ARG HH12 1 1 18 9321 1 1 28 ARG HH21 H 8.170 -4.477 -2.071 1.00 . A A . 28 ARG HH21 1 1 18 9322 1 1 28 ARG HH22 H 9.122 -5.774 -2.711 1.00 . A A . 28 ARG HH22 1 1 18 9323 1 1 28 ARG N N 9.884 1.257 -1.524 1.00 . A A . 28 ARG N 1 1 18 9324 1 1 28 ARG NE N 8.888 -2.744 -3.730 1.00 . A A . 28 ARG NE 1 1 18 9325 1 1 28 ARG NH1 N 10.156 -4.472 -4.581 1.00 . A A . 28 ARG NH1 1 1 18 9326 1 1 28 ARG NH2 N 8.822 -4.820 -2.746 1.00 . A A . 28 ARG NH2 1 1 18 9327 1 1 28 ARG O O 11.376 1.111 -4.717 1.00 . A A . 28 ARG O 1 1 18 9328 1 1 29 LEU C C 12.049 4.297 -4.505 1.00 . A A . 29 LEU C 1 1 18 9329 1 1 29 LEU CA C 10.630 3.805 -4.791 1.00 . A A . 29 LEU CA 1 1 18 9330 1 1 29 LEU CB C 9.646 4.978 -4.786 1.00 . A A . 29 LEU CB 1 1 18 9331 1 1 29 LEU CD1 C 10.451 5.925 -6.958 1.00 . A A . 29 LEU CD1 1 1 18 9332 1 1 29 LEU CD2 C 9.043 7.320 -5.434 1.00 . A A . 29 LEU CD2 1 1 18 9333 1 1 29 LEU CG C 10.112 6.239 -5.511 1.00 . A A . 29 LEU CG 1 1 18 9334 1 1 29 LEU H H 9.539 3.063 -3.149 1.00 . A A . 29 LEU H 1 1 18 9335 1 1 29 LEU HA H 10.615 3.357 -5.765 1.00 . A A . 29 LEU HA 1 1 18 9336 1 1 29 LEU HB2 H 8.729 4.645 -5.251 1.00 . A A . 29 LEU HB2 1 1 18 9337 1 1 29 LEU HB3 H 9.432 5.234 -3.759 1.00 . A A . 29 LEU HB3 1 1 18 9338 1 1 29 LEU HD11 H 9.682 5.292 -7.378 1.00 . A A . 29 LEU HD11 1 1 18 9339 1 1 29 LEU HD12 H 11.401 5.414 -7.003 1.00 . A A . 29 LEU HD12 1 1 18 9340 1 1 29 LEU HD13 H 10.508 6.843 -7.523 1.00 . A A . 29 LEU HD13 1 1 18 9341 1 1 29 LEU HD21 H 8.083 6.896 -5.691 1.00 . A A . 29 LEU HD21 1 1 18 9342 1 1 29 LEU HD22 H 9.283 8.113 -6.128 1.00 . A A . 29 LEU HD22 1 1 18 9343 1 1 29 LEU HD23 H 9.004 7.718 -4.431 1.00 . A A . 29 LEU HD23 1 1 18 9344 1 1 29 LEU HG H 11.004 6.614 -5.032 1.00 . A A . 29 LEU HG 1 1 18 9345 1 1 29 LEU N N 10.175 2.796 -3.837 1.00 . A A . 29 LEU N 1 1 18 9346 1 1 29 LEU O O 12.899 4.337 -5.395 1.00 . A A . 29 LEU O 1 1 18 9347 1 1 30 ALA C C 14.674 4.200 -2.782 1.00 . A A . 30 ALA C 1 1 18 9348 1 1 30 ALA CA C 13.562 5.246 -2.837 1.00 . A A . 30 ALA CA 1 1 18 9349 1 1 30 ALA CB C 13.399 5.905 -1.479 1.00 . A A . 30 ALA CB 1 1 18 9350 1 1 30 ALA H H 11.544 4.670 -2.622 1.00 . A A . 30 ALA H 1 1 18 9351 1 1 30 ALA HA H 13.845 6.013 -3.543 1.00 . A A . 30 ALA HA 1 1 18 9352 1 1 30 ALA HB1 H 12.796 5.273 -0.846 1.00 . A A . 30 ALA HB1 1 1 18 9353 1 1 30 ALA HB2 H 12.915 6.861 -1.601 1.00 . A A . 30 ALA HB2 1 1 18 9354 1 1 30 ALA HB3 H 14.368 6.045 -1.026 1.00 . A A . 30 ALA HB3 1 1 18 9355 1 1 30 ALA N N 12.277 4.704 -3.265 1.00 . A A . 30 ALA N 1 1 18 9356 1 1 30 ALA O O 15.854 4.553 -2.823 1.00 . A A . 30 ALA O 1 1 18 9357 1 1 31 ASN C C 15.865 1.559 -4.029 1.00 . A A . 31 ASN C 1 1 18 9358 1 1 31 ASN CA C 15.345 1.879 -2.634 1.00 . A A . 31 ASN CA 1 1 18 9359 1 1 31 ASN CB C 14.821 0.607 -1.959 1.00 . A A . 31 ASN CB 1 1 18 9360 1 1 31 ASN CG C 15.940 -0.245 -1.384 1.00 . A A . 31 ASN CG 1 1 18 9361 1 1 31 ASN H H 13.373 2.677 -2.658 1.00 . A A . 31 ASN H 1 1 18 9362 1 1 31 ASN HA H 16.165 2.266 -2.050 1.00 . A A . 31 ASN HA 1 1 18 9363 1 1 31 ASN HB2 H 14.163 0.879 -1.149 1.00 . A A . 31 ASN HB2 1 1 18 9364 1 1 31 ASN HB3 H 14.277 0.016 -2.682 1.00 . A A . 31 ASN HB3 1 1 18 9365 1 1 31 ASN HD21 H 16.673 -0.581 -3.203 1.00 . A A . 31 ASN HD21 1 1 18 9366 1 1 31 ASN HD22 H 17.534 -1.317 -1.899 1.00 . A A . 31 ASN HD22 1 1 18 9367 1 1 31 ASN N N 14.323 2.922 -2.689 1.00 . A A . 31 ASN N 1 1 18 9368 1 1 31 ASN ND2 N 16.804 -0.766 -2.250 1.00 . A A . 31 ASN ND2 1 1 18 9369 1 1 31 ASN O O 17.001 1.118 -4.191 1.00 . A A . 31 ASN O 1 1 18 9370 1 1 31 ASN OD1 O 16.031 -0.431 -0.170 1.00 . A A . 31 ASN OD1 1 1 18 9371 1 1 32 GLY C C 16.193 2.697 -7.008 1.00 . A A . 32 GLY C 1 1 18 9372 1 1 32 GLY CA C 15.434 1.531 -6.404 1.00 . A A . 32 GLY CA 1 1 18 9373 1 1 32 GLY H H 14.136 2.151 -4.850 1.00 . A A . 32 GLY H 1 1 18 9374 1 1 32 GLY HA2 H 16.064 0.655 -6.421 1.00 . A A . 32 GLY HA2 1 1 18 9375 1 1 32 GLY HA3 H 14.553 1.343 -6.999 1.00 . A A . 32 GLY HA3 1 1 18 9376 1 1 32 GLY N N 15.030 1.793 -5.036 1.00 . A A . 32 GLY N 1 1 18 9377 1 1 32 GLY O O 17.418 2.768 -6.909 1.00 . A A . 32 GLY O 1 1 18 9378 1 1 33 GLY C C 15.270 5.326 -9.389 1.00 . A A . 33 GLY C 1 1 18 9379 1 1 33 GLY CA C 16.086 4.772 -8.241 1.00 . A A . 33 GLY CA 1 1 18 9380 1 1 33 GLY H H 14.488 3.506 -7.672 1.00 . A A . 33 GLY H 1 1 18 9381 1 1 33 GLY HA2 H 16.201 5.543 -7.492 1.00 . A A . 33 GLY HA2 1 1 18 9382 1 1 33 GLY HA3 H 17.061 4.491 -8.607 1.00 . A A . 33 GLY HA3 1 1 18 9383 1 1 33 GLY N N 15.461 3.614 -7.630 1.00 . A A . 33 GLY N 1 1 18 9384 1 1 33 GLY O O 15.762 5.438 -10.514 1.00 . A A . 33 GLY O 1 1 18 9385 1 1 34 ASN C C 13.057 5.304 -11.344 1.00 . A A . 34 ASN C 1 1 18 9386 1 1 34 ASN CA C 13.128 6.223 -10.127 1.00 . A A . 34 ASN CA 1 1 18 9387 1 1 34 ASN CB C 13.608 7.614 -10.548 1.00 . A A . 34 ASN CB 1 1 18 9388 1 1 34 ASN CG C 13.839 8.533 -9.362 1.00 . A A . 34 ASN CG 1 1 18 9389 1 1 34 ASN H H 13.684 5.559 -8.194 1.00 . A A . 34 ASN H 1 1 18 9390 1 1 34 ASN HA H 12.142 6.308 -9.694 1.00 . A A . 34 ASN HA 1 1 18 9391 1 1 34 ASN HB2 H 14.537 7.519 -11.090 1.00 . A A . 34 ASN HB2 1 1 18 9392 1 1 34 ASN HB3 H 12.866 8.064 -11.191 1.00 . A A . 34 ASN HB3 1 1 18 9393 1 1 34 ASN HD21 H 15.657 8.987 -10.034 1.00 . A A . 34 ASN HD21 1 1 18 9394 1 1 34 ASN HD22 H 15.188 9.754 -8.559 1.00 . A A . 34 ASN HD22 1 1 18 9395 1 1 34 ASN N N 14.017 5.674 -9.108 1.00 . A A . 34 ASN N 1 1 18 9396 1 1 34 ASN ND2 N 15.013 9.154 -9.313 1.00 . A A . 34 ASN ND2 1 1 18 9397 1 1 34 ASN O O 13.910 5.368 -12.229 1.00 . A A . 34 ASN O 1 1 18 9398 1 1 34 ASN OD1 O 12.971 8.687 -8.503 1.00 . A A . 34 ASN OD1 1 1 18 9399 1 1 35 GLY C C 10.579 2.765 -12.460 1.00 . A A . 35 GLY C 1 1 18 9400 1 1 35 GLY CA C 11.886 3.536 -12.500 1.00 . A A . 35 GLY CA 1 1 18 9401 1 1 35 GLY H H 11.390 4.436 -10.647 1.00 . A A . 35 GLY H 1 1 18 9402 1 1 35 GLY HA2 H 11.928 4.102 -13.419 1.00 . A A . 35 GLY HA2 1 1 18 9403 1 1 35 GLY HA3 H 12.705 2.832 -12.488 1.00 . A A . 35 GLY HA3 1 1 18 9404 1 1 35 GLY N N 12.040 4.448 -11.382 1.00 . A A . 35 GLY N 1 1 18 9405 1 1 35 GLY O O 10.384 1.911 -11.599 1.00 . A A . 35 GLY O 1 1 18 9406 1 1 36 PHE C C 7.647 2.410 -12.171 1.00 . A A . 36 PHE C 1 1 18 9407 1 1 36 PHE CA C 8.390 2.409 -13.506 1.00 . A A . 36 PHE CA 1 1 18 9408 1 1 36 PHE CB C 8.559 0.978 -14.034 1.00 . A A . 36 PHE CB 1 1 18 9409 1 1 36 PHE CD1 C 8.459 -0.489 -12.015 1.00 . A A . 36 PHE CD1 1 1 18 9410 1 1 36 PHE CD2 C 10.530 -0.308 -13.177 1.00 . A A . 36 PHE CD2 1 1 18 9411 1 1 36 PHE CE1 C 9.039 -1.355 -11.107 1.00 . A A . 36 PHE CE1 1 1 18 9412 1 1 36 PHE CE2 C 11.118 -1.172 -12.275 1.00 . A A . 36 PHE CE2 1 1 18 9413 1 1 36 PHE CG C 9.196 0.040 -13.056 1.00 . A A . 36 PHE CG 1 1 18 9414 1 1 36 PHE CZ C 10.373 -1.696 -11.236 1.00 . A A . 36 PHE CZ 1 1 18 9415 1 1 36 PHE H H 9.921 3.761 -14.062 1.00 . A A . 36 PHE H 1 1 18 9416 1 1 36 PHE HA H 7.798 2.967 -14.217 1.00 . A A . 36 PHE HA 1 1 18 9417 1 1 36 PHE HB2 H 7.590 0.578 -14.291 1.00 . A A . 36 PHE HB2 1 1 18 9418 1 1 36 PHE HB3 H 9.177 1.002 -14.920 1.00 . A A . 36 PHE HB3 1 1 18 9419 1 1 36 PHE HD1 H 7.417 -0.220 -11.918 1.00 . A A . 36 PHE HD1 1 1 18 9420 1 1 36 PHE HD2 H 11.112 0.103 -13.991 1.00 . A A . 36 PHE HD2 1 1 18 9421 1 1 36 PHE HE1 H 8.454 -1.763 -10.297 1.00 . A A . 36 PHE HE1 1 1 18 9422 1 1 36 PHE HE2 H 12.160 -1.437 -12.380 1.00 . A A . 36 PHE HE2 1 1 18 9423 1 1 36 PHE HZ H 10.829 -2.370 -10.529 1.00 . A A . 36 PHE HZ 1 1 18 9424 1 1 36 PHE N N 9.691 3.070 -13.405 1.00 . A A . 36 PHE N 1 1 18 9425 1 1 36 PHE O O 8.183 2.829 -11.145 1.00 . A A . 36 PHE O 1 1 18 9426 1 1 37 TRP C C 5.079 3.295 -10.628 1.00 . A A . 37 TRP C 1 1 18 9427 1 1 37 TRP CA C 5.560 1.899 -11.006 1.00 . A A . 37 TRP CA 1 1 18 9428 1 1 37 TRP CB C 6.315 1.269 -9.831 1.00 . A A . 37 TRP CB 1 1 18 9429 1 1 37 TRP CD1 C 4.963 1.060 -7.663 1.00 . A A . 37 TRP CD1 1 1 18 9430 1 1 37 TRP CD2 C 4.848 -0.736 -8.993 1.00 . A A . 37 TRP CD2 1 1 18 9431 1 1 37 TRP CE2 C 4.066 -0.975 -7.849 1.00 . A A . 37 TRP CE2 1 1 18 9432 1 1 37 TRP CE3 C 4.927 -1.727 -9.976 1.00 . A A . 37 TRP CE3 1 1 18 9433 1 1 37 TRP CG C 5.413 0.572 -8.856 1.00 . A A . 37 TRP CG 1 1 18 9434 1 1 37 TRP CH2 C 3.463 -3.118 -8.639 1.00 . A A . 37 TRP CH2 1 1 18 9435 1 1 37 TRP CZ2 C 3.368 -2.165 -7.661 1.00 . A A . 37 TRP CZ2 1 1 18 9436 1 1 37 TRP CZ3 C 4.234 -2.907 -9.787 1.00 . A A . 37 TRP CZ3 1 1 18 9437 1 1 37 TRP H H 6.029 1.636 -13.053 1.00 . A A . 37 TRP H 1 1 18 9438 1 1 37 TRP HA H 4.699 1.290 -11.234 1.00 . A A . 37 TRP HA 1 1 18 9439 1 1 37 TRP HB2 H 7.019 0.544 -10.208 1.00 . A A . 37 TRP HB2 1 1 18 9440 1 1 37 TRP HB3 H 6.849 2.041 -9.298 1.00 . A A . 37 TRP HB3 1 1 18 9441 1 1 37 TRP HD1 H 5.216 2.034 -7.268 1.00 . A A . 37 TRP HD1 1 1 18 9442 1 1 37 TRP HE1 H 3.706 0.251 -6.187 1.00 . A A . 37 TRP HE1 1 1 18 9443 1 1 37 TRP HE3 H 5.517 -1.582 -10.870 1.00 . A A . 37 TRP HE3 1 1 18 9444 1 1 37 TRP HH2 H 2.939 -4.057 -8.533 1.00 . A A . 37 TRP HH2 1 1 18 9445 1 1 37 TRP HZ2 H 2.768 -2.343 -6.781 1.00 . A A . 37 TRP HZ2 1 1 18 9446 1 1 37 TRP HZ3 H 4.284 -3.686 -10.535 1.00 . A A . 37 TRP HZ3 1 1 18 9447 1 1 37 TRP N N 6.399 1.948 -12.201 1.00 . A A . 37 TRP N 1 1 18 9448 1 1 37 TRP NE1 N 4.152 0.136 -7.052 1.00 . A A . 37 TRP NE1 1 1 18 9449 1 1 37 TRP O O 5.567 4.272 -11.235 1.00 . A A . 37 TRP O 1 1 18 9450 1 1 37 TRP OXT O 4.225 3.403 -9.722 1.00 . A A . 37 TRP OXT 1 1 stop_ save_
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