NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
443779 | 2kfq | 16187 | cing | 4-filtered-FRED | STAR | entry | full | 231 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2kfq # This FRED archive file contains, for PDB entry <2kfq>: # # - 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_2kfq _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2kfq _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 3500.23 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 $FP1 A . 1 1 stop_ save_ save_FP1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name FP1 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code YAFACPACPKRFMRSDALSKHIKTAFIVVALG _Entity.Number_of_monomers 32 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 TYR . 1 1 2 ALA . 1 1 3 PHE . 1 1 4 ALA . 1 1 5 CYS . 1 1 6 PRO . 1 1 7 ALA . 1 1 8 CYS . 1 1 9 PRO . 1 1 10 LYS . 1 1 11 ARG . 1 1 12 PHE . 1 1 13 MET . 1 1 14 ARG . 1 1 15 SER . 1 1 16 ASP . 1 1 17 ALA . 1 1 18 LEU . 1 1 19 SER . 1 1 20 LYS . 1 1 21 HIS . 1 1 22 ILE . 1 1 23 LYS . 1 1 24 THR . 1 1 25 ALA . 1 1 26 PHE . 1 1 27 ILE . 1 1 28 VAL . 1 1 29 VAL . 1 1 30 ALA . 1 1 31 LEU . 1 1 32 GLY . 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 TYR 1 1 1 1 ALA 2 2 1 1 PHE 3 3 1 1 ALA 4 4 1 1 CYS 5 5 1 1 PRO 6 6 1 1 ALA 7 7 1 1 CYS 8 8 1 1 PRO 9 9 1 1 LYS 10 10 1 1 ARG 11 11 1 1 PHE 12 12 1 1 MET 13 13 1 1 ARG 14 14 1 1 SER 15 15 1 1 ASP 16 16 1 1 ALA 17 17 1 1 LEU 18 18 1 1 SER 19 19 1 1 LYS 20 20 1 1 HIS 21 21 1 1 ILE 22 22 1 1 LYS 23 23 1 1 THR 24 24 1 1 ALA 25 25 1 1 PHE 26 26 1 1 ILE 27 27 1 1 VAL 28 28 1 1 VAL 29 29 1 1 ALA 30 30 1 1 LEU 31 31 1 1 GLY 32 32 1 1 stop_ save_ save_DYANA/DIANA_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 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 TYR HA . 1 TYR HA 1 1 1 1 2 1 1 2 ALA H . 2 ALA HN 1 1 2 1 1 1 1 1 TYR HA . 1 TYR HA 1 1 2 1 2 1 1 2 ALA MB . 2 ALA QB 1 1 3 1 1 1 1 1 TYR HA . 1 TYR HA 1 1 3 1 2 1 1 3 PHE H . 3 PHE HN 1 1 4 1 1 1 1 1 TYR HA . 1 TYR HA 1 1 4 1 2 1 1 3 PHE QD . 3 PHE QD 1 1 5 1 1 1 1 1 TYR QB . 1 TYR QB 1 1 5 1 2 1 1 2 ALA H . 2 ALA HN 1 1 6 1 1 1 1 1 TYR QB . 1 TYR QB 1 1 6 1 2 1 1 2 ALA MB . 2 ALA QB 1 1 7 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 7 1 2 1 1 2 ALA H . 2 ALA HN 1 1 8 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 8 1 2 1 1 2 ALA HA . 2 ALA HA 1 1 9 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 9 1 2 1 1 2 ALA MB . 2 ALA QB 1 1 10 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 10 1 2 1 1 3 PHE H . 3 PHE HN 1 1 11 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 11 1 2 1 1 3 PHE HA . 3 PHE HA 1 1 12 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 12 1 2 1 1 3 PHE QD . 3 PHE QD 1 1 13 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 13 1 2 1 1 3 PHE QE . 3 PHE QE 1 1 14 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 14 1 2 1 1 4 ALA MB . 4 ALA QB 1 1 15 1 1 1 1 1 TYR QD . 1 TYR QD 1 1 15 1 2 1 1 5 CYS H . 5 CYS HN 1 1 16 1 1 1 1 1 TYR QE . 1 TYR QE 1 1 16 1 2 1 1 2 ALA H . 2 ALA HN 1 1 17 1 1 1 1 1 TYR QE . 1 TYR QE 1 1 17 1 2 1 1 2 ALA HA . 2 ALA HA 1 1 18 1 1 1 1 1 TYR QE . 1 TYR QE 1 1 18 1 2 1 1 2 ALA MB . 2 ALA QB 1 1 19 1 1 1 1 1 TYR QE . 1 TYR QE 1 1 19 1 2 1 1 3 PHE HA . 3 PHE HA 1 1 20 1 1 1 1 1 TYR QE . 1 TYR QE 1 1 20 1 2 1 1 3 PHE HB3 . 3 PHE HB3 1 1 21 1 1 1 1 1 TYR QE . 1 TYR QE 1 1 21 1 2 1 1 4 ALA MB . 4 ALA QB 1 1 22 1 1 1 1 1 TYR QE . 1 TYR QE 1 1 22 1 2 1 1 5 CYS H . 5 CYS HN 1 1 23 1 1 1 1 2 ALA H . 2 ALA HN 1 1 23 1 2 1 1 3 PHE H . 3 PHE HN 1 1 24 1 1 1 1 2 ALA H . 2 ALA HN 1 1 24 1 2 1 1 3 PHE HA . 3 PHE HA 1 1 25 1 1 1 1 2 ALA H . 2 ALA HN 1 1 25 1 2 1 1 3 PHE HB3 . 3 PHE HB3 1 1 26 1 1 1 1 2 ALA MB . 2 ALA QB 1 1 26 1 2 1 1 3 PHE H . 3 PHE HN 1 1 27 1 1 1 1 2 ALA MB . 2 ALA QB 1 1 27 1 2 1 1 3 PHE HA . 3 PHE HA 1 1 28 1 1 1 1 2 ALA MB . 2 ALA QB 1 1 28 1 2 1 1 3 PHE HB3 . 3 PHE HB3 1 1 29 1 1 1 1 2 ALA MB . 2 ALA QB 1 1 29 1 2 1 1 5 CYS HB3 . 5 CYS HB3 1 1 30 1 1 1 1 3 PHE H . 3 PHE HN 1 1 30 1 2 1 1 3 PHE HB2 . 3 PHE HB2 1 1 31 1 1 1 1 3 PHE H . 3 PHE HN 1 1 31 1 2 1 1 4 ALA H . 4 ALA HN 1 1 32 1 1 1 1 3 PHE H . 3 PHE HN 1 1 32 1 2 1 1 6 PRO QG . 6 PRO QG 1 1 33 1 1 1 1 3 PHE HA . 3 PHE HA 1 1 33 1 2 1 1 4 ALA MB . 4 ALA QB 1 1 34 1 1 1 1 3 PHE HA . 3 PHE HA 1 1 34 1 2 1 1 5 CYS H . 5 CYS HN 1 1 35 1 1 1 1 3 PHE QD . 3 PHE QD 1 1 35 1 2 1 1 4 ALA H . 4 ALA HN 1 1 36 1 1 1 1 3 PHE QD . 3 PHE QD 1 1 36 1 2 1 1 5 CYS H . 5 CYS HN 1 1 37 1 1 1 1 3 PHE QE . 3 PHE QE 1 1 37 1 2 1 1 5 CYS H . 5 CYS HN 1 1 38 1 1 1 1 3 PHE QE . 3 PHE QE 1 1 38 1 2 1 1 6 PRO HD2 . 6 PRO HD2 1 1 39 1 1 1 1 4 ALA HA . 4 ALA HA 1 1 39 1 2 1 1 5 CYS HB2 . 5 CYS HB2 1 1 40 1 1 1 1 4 ALA MB . 4 ALA QB 1 1 40 1 2 1 1 5 CYS HB2 . 5 CYS HB2 1 1 41 1 1 1 1 5 CYS HB2 . 5 CYS HB2 1 1 41 1 2 1 1 6 PRO HB3 . 6 PRO HB3 1 1 42 1 1 1 1 6 PRO HA . 6 PRO HA 1 1 42 1 2 1 1 6 PRO HB3 . 6 PRO HB3 1 1 43 1 1 1 1 6 PRO HB3 . 6 PRO HB3 1 1 43 1 2 1 1 7 ALA MB . 7 ALA QB 1 1 44 1 1 1 1 6 PRO HD2 . 6 PRO HD2 1 1 44 1 2 1 1 7 ALA HA . 7 ALA HA 1 1 45 1 1 1 1 6 PRO HD2 . 6 PRO HD2 1 1 45 1 2 1 1 7 ALA MB . 7 ALA QB 1 1 46 1 1 1 1 7 ALA HA . 7 ALA HA 1 1 46 1 2 1 1 8 CYS HB2 . 8 CYS HB2 1 1 47 1 1 1 1 7 ALA MB . 7 ALA QB 1 1 47 1 2 1 1 8 CYS H . 8 CYS HN 1 1 48 1 1 1 1 8 CYS HA . 8 CYS HA 1 1 48 1 2 1 1 8 CYS HB3 . 8 CYS HB3 1 1 49 1 1 1 1 8 CYS HA . 8 CYS HA 1 1 49 1 2 1 1 9 PRO HD2 . 9 PRO HD2 1 1 50 1 1 1 1 8 CYS HA . 8 CYS HA 1 1 50 1 2 1 1 9 PRO HD3 . 9 PRO HD3 1 1 51 1 1 1 1 8 CYS HB3 . 8 CYS HB3 1 1 51 1 2 1 1 9 PRO QG . 9 PRO QG 1 1 52 1 1 1 1 9 PRO HB2 . 9 PRO HB2 1 1 52 1 2 1 1 11 ARG HE . 11 ARG+ HE 1 1 53 1 1 1 1 9 PRO HB3 . 9 PRO HB3 1 1 53 1 2 1 1 10 LYS H . 10 LYS+ HN 1 1 54 1 1 1 1 9 PRO HB3 . 9 PRO HB3 1 1 54 1 2 1 1 11 ARG H . 11 ARG+ HN 1 1 55 1 1 1 1 9 PRO HD2 . 9 PRO HD2 1 1 55 1 2 1 1 12 PHE HB2 . 12 PHE HB2 1 1 56 1 1 1 1 9 PRO HD2 . 9 PRO HD2 1 1 56 1 2 1 1 12 PHE HB3 . 12 PHE HB3 1 1 57 1 1 1 1 9 PRO HD2 . 9 PRO HD2 1 1 57 1 2 1 1 12 PHE QD . 12 PHE QD 1 1 58 1 1 1 1 9 PRO HD2 . 9 PRO HD2 1 1 58 1 2 1 1 12 PHE QE . 12 PHE QE 1 1 59 1 1 1 1 10 LYS H . 10 LYS+ HN 1 1 59 1 2 1 1 10 LYS QB . 10 LYS+ QB 1 1 60 1 1 1 1 10 LYS HA . 10 LYS+ HA 1 1 60 1 2 1 1 11 ARG H . 11 ARG+ HN 1 1 61 1 1 1 1 10 LYS HA . 10 LYS+ HA 1 1 61 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 62 1 1 1 1 10 LYS HA . 10 LYS+ HA 1 1 62 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 63 1 1 1 1 11 ARG QB . 11 ARG+ QB 1 1 63 1 2 1 1 12 PHE H . 12 PHE HN 1 1 64 1 1 1 1 11 ARG QB . 11 ARG+ QB 1 1 64 1 2 1 1 12 PHE QD . 12 PHE QD 1 1 65 1 1 1 1 11 ARG HE . 11 ARG+ HE 1 1 65 1 2 1 1 12 PHE HB2 . 12 PHE HB2 1 1 66 1 1 1 1 11 ARG QG . 11 ARG+ QG 1 1 66 1 2 1 1 12 PHE H . 12 PHE HN 1 1 67 1 1 1 1 12 PHE H . 12 PHE HN 1 1 67 1 2 1 1 12 PHE HB2 . 12 PHE HB2 1 1 68 1 1 1 1 12 PHE HA . 12 PHE HA 1 1 68 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 69 1 1 1 1 12 PHE HA . 12 PHE HA 1 1 69 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 70 1 1 1 1 12 PHE HA . 12 PHE HA 1 1 70 1 2 1 1 14 ARG H . 14 ARG+ HN 1 1 71 1 1 1 1 12 PHE HA . 12 PHE HA 1 1 71 1 2 1 1 15 SER HB2 . 15 SER HB2 1 1 72 1 1 1 1 12 PHE HA . 12 PHE HA 1 1 72 1 2 1 1 16 ASP H . 16 ASP- HN 1 1 73 1 1 1 1 12 PHE HB3 . 12 PHE HB3 1 1 73 1 2 1 1 12 PHE QE . 12 PHE QE 1 1 74 1 1 1 1 12 PHE HB3 . 12 PHE HB3 1 1 74 1 2 1 1 13 MET H . 13 MET HN 1 1 75 1 1 1 1 12 PHE HB3 . 12 PHE HB3 1 1 75 1 2 1 1 13 MET HB3 . 13 MET HB3 1 1 76 1 1 1 1 12 PHE QD . 12 PHE QD 1 1 76 1 2 1 1 13 MET HA . 13 MET HA 1 1 77 1 1 1 1 12 PHE QD . 12 PHE QD 1 1 77 1 2 1 1 15 SER H . 15 SER HN 1 1 78 1 1 1 1 12 PHE QD . 12 PHE QD 1 1 78 1 2 1 1 15 SER HB2 . 15 SER HB2 1 1 79 1 1 1 1 12 PHE QD . 12 PHE QD 1 1 79 1 2 1 1 15 SER HB3 . 15 SER HB3 1 1 80 1 1 1 1 12 PHE QD . 12 PHE QD 1 1 80 1 2 1 1 16 ASP QB . 16 ASP- QB 1 1 81 1 1 1 1 12 PHE QE . 12 PHE QE 1 1 81 1 2 1 1 13 MET H . 13 MET HN 1 1 82 1 1 1 1 13 MET H . 13 MET HN 1 1 82 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 83 1 1 1 1 13 MET H . 13 MET HN 1 1 83 1 2 1 1 14 ARG H . 14 ARG+ HN 1 1 84 1 1 1 1 13 MET H . 13 MET HN 1 1 84 1 2 1 1 14 ARG QD . 14 ARG+ QD 1 1 85 1 1 1 1 13 MET HA . 13 MET HA 1 1 85 1 2 1 1 13 MET HG2 . 13 MET HG2 1 1 86 1 1 1 1 13 MET HA . 13 MET HA 1 1 86 1 2 1 1 13 MET HG3 . 13 MET HG3 1 1 87 1 1 1 1 13 MET HG3 . 13 MET HG3 1 1 87 1 2 1 1 14 ARG H . 14 ARG+ HN 1 1 88 1 1 1 1 13 MET HG3 . 13 MET HG3 1 1 88 1 2 1 1 15 SER H . 15 SER HN 1 1 89 1 1 1 1 14 ARG H . 14 ARG+ HN 1 1 89 1 2 1 1 14 ARG HB3 . 14 ARG+ HB3 1 1 90 1 1 1 1 14 ARG H . 14 ARG+ HN 1 1 90 1 2 1 1 14 ARG QD . 14 ARG+ QD 1 1 91 1 1 1 1 14 ARG HA . 14 ARG+ HA 1 1 91 1 2 1 1 14 ARG HB3 . 14 ARG+ HB3 1 1 92 1 1 1 1 14 ARG HA . 14 ARG+ HA 1 1 92 1 2 1 1 15 SER H . 15 SER HN 1 1 93 1 1 1 1 14 ARG HB2 . 14 ARG+ HB2 1 1 93 1 2 1 1 15 SER H . 15 SER HN 1 1 94 1 1 1 1 14 ARG HB3 . 14 ARG+ HB3 1 1 94 1 2 1 1 14 ARG HE . 14 ARG+ HE 1 1 95 1 1 1 1 14 ARG HB3 . 14 ARG+ HB3 1 1 95 1 2 1 1 15 SER H . 15 SER HN 1 1 96 1 1 1 1 14 ARG QD . 14 ARG+ QD 1 1 96 1 2 1 1 15 SER H . 15 SER HN 1 1 97 1 1 1 1 14 ARG QD . 14 ARG+ QD 1 1 97 1 2 1 1 15 SER HA . 15 SER HA 1 1 98 1 1 1 1 14 ARG QD . 14 ARG+ QD 1 1 98 1 2 1 1 17 ALA MB . 17 ALA QB 1 1 99 1 1 1 1 14 ARG QG . 14 ARG+ QG 1 1 99 1 2 1 1 15 SER H . 15 SER HN 1 1 100 1 1 1 1 15 SER H . 15 SER HN 1 1 100 1 2 1 1 15 SER HB2 . 15 SER HB2 1 1 101 1 1 1 1 15 SER H . 15 SER HN 1 1 101 1 2 1 1 16 ASP H . 16 ASP- HN 1 1 102 1 1 1 1 15 SER HA . 15 SER HA 1 1 102 1 2 1 1 16 ASP QB . 16 ASP- QB 1 1 103 1 1 1 1 15 SER HB2 . 15 SER HB2 1 1 103 1 2 1 1 16 ASP H . 16 ASP- HN 1 1 104 1 1 1 1 15 SER HB3 . 15 SER HB3 1 1 104 1 2 1 1 16 ASP H . 16 ASP- HN 1 1 105 1 1 1 1 15 SER HB3 . 15 SER HB3 1 1 105 1 2 1 1 16 ASP HA . 16 ASP- HA 1 1 106 1 1 1 1 16 ASP H . 16 ASP- HN 1 1 106 1 2 1 1 17 ALA H . 17 ALA HN 1 1 107 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1 107 1 2 1 1 18 LEU H . 18 LEU HN 1 1 108 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1 108 1 2 1 1 19 SER HB2 . 19 SER HB2 1 1 109 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1 109 1 2 1 1 19 SER HB3 . 19 SER HB3 1 1 110 1 1 1 1 16 ASP HA . 16 ASP- HA 1 1 110 1 2 1 1 20 LYS HG2 . 20 LYS+ HG2 1 1 111 1 1 1 1 16 ASP QB . 16 ASP- QB 1 1 111 1 2 1 1 17 ALA H . 17 ALA HN 1 1 112 1 1 1 1 16 ASP QB . 16 ASP- QB 1 1 112 1 2 1 1 17 ALA MB . 17 ALA QB 1 1 113 1 1 1 1 16 ASP QB . 16 ASP- QB 1 1 113 1 2 1 1 18 LEU H . 18 LEU HN 1 1 114 1 1 1 1 17 ALA H . 17 ALA HN 1 1 114 1 2 1 1 17 ALA MB . 17 ALA QB 1 1 115 1 1 1 1 17 ALA HA . 17 ALA HA 1 1 115 1 2 1 1 18 LEU H . 18 LEU HN 1 1 116 1 1 1 1 17 ALA HA . 17 ALA HA 1 1 116 1 2 1 1 21 HIS HE1 . 21 HIS+ HE1 1 1 117 1 1 1 1 17 ALA MB . 17 ALA QB 1 1 117 1 2 1 1 18 LEU H . 18 LEU HN 1 1 118 1 1 1 1 17 ALA MB . 17 ALA QB 1 1 118 1 2 1 1 21 HIS HE1 . 21 HIS+ HE1 1 1 119 1 1 1 1 18 LEU H . 18 LEU HN 1 1 119 1 2 1 1 18 LEU MD1 . 18 LEU QD1 1 1 120 1 1 1 1 18 LEU H . 18 LEU HN 1 1 120 1 2 1 1 18 LEU HG . 18 LEU HG 1 1 121 1 1 1 1 18 LEU QB . 18 LEU QB 1 1 121 1 2 1 1 21 HIS HE1 . 21 HIS+ HE1 1 1 122 1 1 1 1 18 LEU MD1 . 18 LEU QD1 1 1 122 1 2 1 1 19 SER HB2 . 19 SER HB2 1 1 123 1 1 1 1 18 LEU MD1 . 18 LEU QD1 1 1 123 1 2 1 1 19 SER HB3 . 19 SER HB3 1 1 124 1 1 1 1 18 LEU MD2 . 18 LEU QD2 1 1 124 1 2 1 1 19 SER HB3 . 19 SER HB3 1 1 125 1 1 1 1 19 SER HA . 19 SER HA 1 1 125 1 2 1 1 20 LYS H . 20 LYS+ HN 1 1 126 1 1 1 1 19 SER HA . 19 SER HA 1 1 126 1 2 1 1 22 ILE MD . 22 ILE QD1 1 1 127 1 1 1 1 19 SER HA . 19 SER HA 1 1 127 1 2 1 1 22 ILE HG13 . 22 ILE HG13 1 1 128 1 1 1 1 19 SER HB2 . 19 SER HB2 1 1 128 1 2 1 1 22 ILE MD . 22 ILE QD1 1 1 129 1 1 1 1 19 SER HB2 . 19 SER HB2 1 1 129 1 2 1 1 23 LYS HG2 . 23 LYS+ HG2 1 1 130 1 1 1 1 19 SER HB3 . 19 SER HB3 1 1 130 1 2 1 1 21 HIS H . 21 HIS+ HN 1 1 131 1 1 1 1 19 SER HB3 . 19 SER HB3 1 1 131 1 2 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1 132 1 1 1 1 19 SER HB3 . 19 SER HB3 1 1 132 1 2 1 1 23 LYS HG2 . 23 LYS+ HG2 1 1 133 1 1 1 1 20 LYS H . 20 LYS+ HN 1 1 133 1 2 1 1 20 LYS QD . 20 LYS+ QD 1 1 134 1 1 1 1 20 LYS H . 20 LYS+ HN 1 1 134 1 2 1 1 20 LYS HG2 . 20 LYS+ HG2 1 1 135 1 1 1 1 20 LYS H . 20 LYS+ HN 1 1 135 1 2 1 1 20 LYS HG3 . 20 LYS+ HG3 1 1 136 1 1 1 1 20 LYS HA . 20 LYS+ HA 1 1 136 1 2 1 1 20 LYS QE . 20 LYS+ QE 1 1 137 1 1 1 1 20 LYS HA . 20 LYS+ HA 1 1 137 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 138 1 1 1 1 20 LYS HB3 . 20 LYS+ HB3 1 1 138 1 2 1 1 21 HIS H . 21 HIS+ HN 1 1 139 1 1 1 1 20 LYS QE . 20 LYS+ QE 1 1 139 1 2 1 1 20 LYS HG2 . 20 LYS+ HG2 1 1 140 1 1 1 1 21 HIS H . 21 HIS+ HN 1 1 140 1 2 1 1 21 HIS HB3 . 21 HIS+ HB3 1 1 141 1 1 1 1 21 HIS H . 21 HIS+ HN 1 1 141 1 2 1 1 21 HIS HD2 . 21 HIS+ HD2 1 1 142 1 1 1 1 21 HIS H . 21 HIS+ HN 1 1 142 1 2 1 1 22 ILE H . 22 ILE HN 1 1 143 1 1 1 1 21 HIS H . 21 HIS+ HN 1 1 143 1 2 1 1 22 ILE MD . 22 ILE QD1 1 1 144 1 1 1 1 21 HIS HA . 21 HIS+ HA 1 1 144 1 2 1 1 21 HIS HB2 . 21 HIS+ HB2 1 1 145 1 1 1 1 21 HIS HA . 21 HIS+ HA 1 1 145 1 2 1 1 22 ILE MG . 22 ILE QG2 1 1 146 1 1 1 1 21 HIS HA . 21 HIS+ HA 1 1 146 1 2 1 1 24 THR MG . 24 THR QG2 1 1 147 1 1 1 1 21 HIS HB2 . 21 HIS+ HB2 1 1 147 1 2 1 1 24 THR MG . 24 THR QG2 1 1 148 1 1 1 1 21 HIS HB3 . 21 HIS+ HB3 1 1 148 1 2 1 1 22 ILE H . 22 ILE HN 1 1 149 1 1 1 1 21 HIS HB3 . 21 HIS+ HB3 1 1 149 1 2 1 1 22 ILE MG . 22 ILE QG2 1 1 150 1 1 1 1 21 HIS HD2 . 21 HIS+ HD2 1 1 150 1 2 1 1 22 ILE MG . 22 ILE QG2 1 1 151 1 1 1 1 21 HIS HD2 . 21 HIS+ HD2 1 1 151 1 2 1 1 25 ALA HA . 25 ALA HA 1 1 152 1 1 1 1 22 ILE H . 22 ILE HN 1 1 152 1 2 1 1 22 ILE HG12 . 22 ILE HG12 1 1 153 1 1 1 1 22 ILE HG12 . 22 ILE HG12 1 1 153 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 154 1 1 1 1 22 ILE MG . 22 ILE QG2 1 1 154 1 2 1 1 23 LYS H . 23 LYS+ HN 1 1 155 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 155 1 2 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1 156 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 156 1 2 1 1 23 LYS QE . 23 LYS+ QE 1 1 157 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 157 1 2 1 1 23 LYS HG2 . 23 LYS+ HG2 1 1 158 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 158 1 2 1 1 23 LYS HG3 . 23 LYS+ HG3 1 1 159 1 1 1 1 23 LYS H . 23 LYS+ HN 1 1 159 1 2 1 1 24 THR H . 24 THR HN 1 1 160 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 160 1 2 1 1 23 LYS QE . 23 LYS+ QE 1 1 161 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 161 1 2 1 1 24 THR H . 24 THR HN 1 1 162 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 162 1 2 1 1 24 THR MG . 24 THR QG2 1 1 163 1 1 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1 163 1 2 1 1 24 THR H . 24 THR HN 1 1 164 1 1 1 1 23 LYS HB2 . 23 LYS+ HB2 1 1 164 1 2 1 1 24 THR MG . 24 THR QG2 1 1 165 1 1 1 1 23 LYS HB3 . 23 LYS+ HB3 1 1 165 1 2 1 1 24 THR H . 24 THR HN 1 1 166 1 1 1 1 24 THR H . 24 THR HN 1 1 166 1 2 1 1 25 ALA H . 25 ALA HN 1 1 167 1 1 1 1 24 THR HB . 24 THR HB 1 1 167 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 168 1 1 1 1 24 THR HB . 24 THR HB 1 1 168 1 2 1 1 26 PHE QE . 26 PHE QE 1 1 169 1 1 1 1 24 THR HB . 24 THR HB 1 1 169 1 2 1 1 26 PHE HZ . 26 PHE HZ 1 1 170 1 1 1 1 24 THR MG . 24 THR QG2 1 1 170 1 2 1 1 25 ALA H . 25 ALA HN 1 1 171 1 1 1 1 24 THR MG . 24 THR QG2 1 1 171 1 2 1 1 26 PHE HA . 26 PHE HA 1 1 172 1 1 1 1 24 THR MG . 24 THR QG2 1 1 172 1 2 1 1 26 PHE HB2 . 26 PHE HB2 1 1 173 1 1 1 1 24 THR MG . 24 THR QG2 1 1 173 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 174 1 1 1 1 24 THR MG . 24 THR QG2 1 1 174 1 2 1 1 26 PHE QE . 26 PHE QE 1 1 175 1 1 1 1 24 THR MG . 24 THR QG2 1 1 175 1 2 1 1 28 VAL HB . 28 VAL HB 1 1 176 1 1 1 1 25 ALA H . 25 ALA HN 1 1 176 1 2 1 1 25 ALA MB . 25 ALA QB 1 1 177 1 1 1 1 25 ALA H . 25 ALA HN 1 1 177 1 2 1 1 26 PHE H . 26 PHE HN 1 1 178 1 1 1 1 25 ALA HA . 25 ALA HA 1 1 178 1 2 1 1 26 PHE H . 26 PHE HN 1 1 179 1 1 1 1 25 ALA HA . 25 ALA HA 1 1 179 1 2 1 1 26 PHE HA . 26 PHE HA 1 1 180 1 1 1 1 25 ALA HA . 25 ALA HA 1 1 180 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 181 1 1 1 1 25 ALA HA . 25 ALA HA 1 1 181 1 2 1 1 26 PHE QE . 26 PHE QE 1 1 182 1 1 1 1 25 ALA MB . 25 ALA QB 1 1 182 1 2 1 1 26 PHE H . 26 PHE HN 1 1 183 1 1 1 1 25 ALA MB . 25 ALA QB 1 1 183 1 2 1 1 26 PHE HA . 26 PHE HA 1 1 184 1 1 1 1 25 ALA MB . 25 ALA QB 1 1 184 1 2 1 1 26 PHE HB2 . 26 PHE HB2 1 1 185 1 1 1 1 25 ALA MB . 25 ALA QB 1 1 185 1 2 1 1 26 PHE HB3 . 26 PHE HB3 1 1 186 1 1 1 1 25 ALA MB . 25 ALA QB 1 1 186 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 187 1 1 1 1 25 ALA MB . 25 ALA QB 1 1 187 1 2 1 1 26 PHE QE . 26 PHE QE 1 1 188 1 1 1 1 26 PHE H . 26 PHE HN 1 1 188 1 2 1 1 26 PHE HB3 . 26 PHE HB3 1 1 189 1 1 1 1 26 PHE H . 26 PHE HN 1 1 189 1 2 1 1 26 PHE QD . 26 PHE QD 1 1 190 1 1 1 1 26 PHE HA . 26 PHE HA 1 1 190 1 2 1 1 27 ILE H . 27 ILE HN 1 1 191 1 1 1 1 26 PHE HA . 26 PHE HA 1 1 191 1 2 1 1 30 ALA MB . 30 ALA QB 1 1 192 1 1 1 1 26 PHE HB2 . 26 PHE HB2 1 1 192 1 2 1 1 27 ILE H . 27 ILE HN 1 1 193 1 1 1 1 26 PHE HB2 . 26 PHE HB2 1 1 193 1 2 1 1 27 ILE MG . 27 ILE QG2 1 1 194 1 1 1 1 26 PHE HB2 . 26 PHE HB2 1 1 194 1 2 1 1 28 VAL MG2 . 28 VAL QG2 1 1 195 1 1 1 1 26 PHE HB3 . 26 PHE HB3 1 1 195 1 2 1 1 28 VAL HB . 28 VAL HB 1 1 196 1 1 1 1 26 PHE HB3 . 26 PHE HB3 1 1 196 1 2 1 1 28 VAL MG2 . 28 VAL QG2 1 1 197 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 197 1 2 1 1 27 ILE H . 27 ILE HN 1 1 198 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 198 1 2 1 1 27 ILE HB . 27 ILE HB 1 1 199 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 199 1 2 1 1 27 ILE MG . 27 ILE QG2 1 1 200 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 200 1 2 1 1 28 VAL HA . 28 VAL HA 1 1 201 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 201 1 2 1 1 28 VAL HB . 28 VAL HB 1 1 202 1 1 1 1 26 PHE QD . 26 PHE QD 1 1 202 1 2 1 1 30 ALA MB . 30 ALA QB 1 1 203 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 203 1 2 1 1 27 ILE H . 27 ILE HN 1 1 204 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 204 1 2 1 1 27 ILE HB . 27 ILE HB 1 1 205 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 205 1 2 1 1 27 ILE HG13 . 27 ILE HG13 1 1 206 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 206 1 2 1 1 27 ILE MG . 27 ILE QG2 1 1 207 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 207 1 2 1 1 28 VAL MG1 . 28 VAL QG1 1 1 208 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 208 1 2 1 1 29 VAL H . 29 VAL HN 1 1 209 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 209 1 2 1 1 29 VAL HB . 29 VAL HB 1 1 210 1 1 1 1 26 PHE QE . 26 PHE QE 1 1 210 1 2 1 1 30 ALA MB . 30 ALA QB 1 1 211 1 1 1 1 26 PHE HZ . 26 PHE HZ 1 1 211 1 2 1 1 28 VAL HB . 28 VAL HB 1 1 212 1 1 1 1 27 ILE H . 27 ILE HN 1 1 212 1 2 1 1 27 ILE HG12 . 27 ILE HG12 1 1 213 1 1 1 1 27 ILE H . 27 ILE HN 1 1 213 1 2 1 1 27 ILE HG13 . 27 ILE HG13 1 1 214 1 1 1 1 27 ILE H . 27 ILE HN 1 1 214 1 2 1 1 28 VAL H . 28 VAL HN 1 1 215 1 1 1 1 27 ILE H . 27 ILE HN 1 1 215 1 2 1 1 28 VAL HA . 28 VAL HA 1 1 216 1 1 1 1 27 ILE H . 27 ILE HN 1 1 216 1 2 1 1 28 VAL HB . 28 VAL HB 1 1 217 1 1 1 1 27 ILE HA . 27 ILE HA 1 1 217 1 2 1 1 28 VAL H . 28 VAL HN 1 1 218 1 1 1 1 27 ILE HA . 27 ILE HA 1 1 218 1 2 1 1 28 VAL MG2 . 28 VAL QG2 1 1 219 1 1 1 1 29 VAL H . 29 VAL HN 1 1 219 1 2 1 1 30 ALA H . 30 ALA HN 1 1 220 1 1 1 1 29 VAL HA . 29 VAL HA 1 1 220 1 2 1 1 30 ALA MB . 30 ALA QB 1 1 221 1 1 1 1 29 VAL HB . 29 VAL HB 1 1 221 1 2 1 1 30 ALA H . 30 ALA HN 1 1 222 1 1 1 1 29 VAL QG . 29 VAL QQG 1 1 222 1 2 1 1 30 ALA H . 30 ALA HN 1 1 223 1 1 1 1 30 ALA H . 30 ALA HN 1 1 223 1 2 1 1 30 ALA MB . 30 ALA QB 1 1 224 1 1 1 1 30 ALA HA . 30 ALA HA 1 1 224 1 2 1 1 31 LEU H . 31 LEU HN 1 1 225 1 1 1 1 30 ALA MB . 30 ALA QB 1 1 225 1 2 1 1 31 LEU H . 31 LEU HN 1 1 226 1 1 1 1 30 ALA MB . 30 ALA QB 1 1 226 1 2 1 1 32 GLY QA . 32 GLY QA 1 1 227 1 1 1 1 31 LEU H . 31 LEU HN 1 1 227 1 2 1 1 31 LEU MD2 . 31 LEU QD2 1 1 228 1 1 1 1 31 LEU H . 31 LEU HN 1 1 228 1 2 1 1 31 LEU HG . 31 LEU HG 1 1 229 1 1 1 1 31 LEU HA . 31 LEU HA 1 1 229 1 2 1 1 32 GLY H . 32 GLY HN 1 1 230 1 1 1 1 31 LEU QB . 31 LEU QB 1 1 230 1 2 1 1 32 GLY QA . 32 GLY QA 1 1 231 1 1 1 1 31 LEU HG . 31 LEU HG 1 1 231 1 2 1 1 32 GLY QA . 32 GLY QA 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 . . . . . . . 3.36 1 1 2 1 . . . . . . . 6.53 1 1 3 1 . . . . . . . 5.1 1 1 4 1 . . . . . . . 7.62 1 1 5 1 . . . . . . . 5.6 1 1 6 1 . . . . . . . 7.4 1 1 7 1 . . . . . . . 7.58 1 1 8 1 . . . . . . . 7.17 1 1 9 1 . . . . . . . 8.67 1 1 10 1 . . . . . . . 7.64 1 1 11 1 . . . . . . . 7.14 1 1 12 1 . . . . . . . 9.76 1 1 13 1 . . . . . . . 9.76 1 1 14 1 . . . . . . . 8.67 1 1 15 1 . . . . . . . 5.72 1 1 16 1 . . . . . . . 7.63 1 1 17 1 . . . . . . . 7.23 1 1 18 1 . . . . . . . 8.66 1 1 19 1 . . . . . . . 7.63 1 1 20 1 . . . . . . . 7.63 1 1 21 1 . . . . . . . 8.66 1 1 22 1 . . . . . . . 5.83 1 1 23 1 . . . . . . . 3.33 1 1 24 1 . . . . . . . 5.28 1 1 25 1 . . . . . . . 5.5 1 1 26 1 . . . . . . . 6.53 1 1 27 1 . . . . . . . 5.54 1 1 28 1 . . . . . . . 6.53 1 1 29 1 . . . . . . . 6.53 1 1 30 1 . . . . . . . 4.11 1 1 31 1 . . . . . . . 3.92 1 1 32 1 . . . . . . . 6.38 1 1 33 1 . . . . . . . 5.23 1 1 34 1 . . . . . . . 5.5 1 1 35 1 . . . . . . . 7.62 1 1 36 1 . . . . . . . 7.62 1 1 37 1 . . . . . . . 7.62 1 1 38 1 . . . . . . . 7.62 1 1 39 1 . . . . . . . 5.41 1 1 40 1 . . . . . . . 6.53 1 1 41 1 . . . . . . . 5.22 1 1 42 1 . . . . . . . 2.65 1 1 43 1 . . . . . . . 6.25 1 1 44 1 . . . . . . . 5.5 1 1 45 1 . . . . . . . 6.53 1 1 46 1 . . . . . . . 5.5 1 1 47 1 . . . . . . . 3.99 1 1 48 1 . . . . . . . 2.93 1 1 49 1 . . . . . . . 3.58 1 1 50 1 . . . . . . . 3.73 1 1 51 1 . . . . . . . 6.38 1 1 52 1 . . . . . . . 5.41 1 1 53 1 . . . . . . . 3.08 1 1 54 1 . . . . . . . 5.03 1 1 55 1 . . . . . . . 3.55 1 1 56 1 . . . . . . . 3.61 1 1 57 1 . . . . . . . 7.62 1 1 58 1 . . . . . . . 5.42 1 1 59 1 . . . . . . . 3.28 1 1 60 1 . . . . . . . 5.5 1 1 61 1 . . . . . . . 5.5 1 1 62 1 . . . . . . . 5.5 1 1 63 1 . . . . . . . 3.28 1 1 64 1 . . . . . . . 7.91 1 1 65 1 . . . . . . . 4.14 1 1 66 1 . . . . . . . 5.23 1 1 67 1 . . . . . . . 3.73 1 1 68 1 . . . . . . . 5.41 1 1 69 1 . . . . . . . 4.82 1 1 70 1 . . . . . . . 3.76 1 1 71 1 . . . . . . . 5.1 1 1 72 1 . . . . . . . 5.16 1 1 73 1 . . . . . . . 4.52 1 1 74 1 . . . . . . . 2.43 1 1 75 1 . . . . . . . 5.16 1 1 76 1 . . . . . . . 5.7 1 1 77 1 . . . . . . . 7.62 1 1 78 1 . . . . . . . 4.96 1 1 79 1 . . . . . . . 7.62 1 1 80 1 . . . . . . . 8.5 1 1 81 1 . . . . . . . 7.62 1 1 82 1 . . . . . . . 5.5 1 1 83 1 . . . . . . . 3.08 1 1 84 1 . . . . . . . 6.38 1 1 85 1 . . . . . . . 4.04 1 1 86 1 . . . . . . . 4.48 1 1 87 1 . . . . . . . 5.5 1 1 88 1 . . . . . . . 5.5 1 1 89 1 . . . . . . . 3.7 1 1 90 1 . . . . . . . 5.97 1 1 91 1 . . . . . . . 2.4 1 1 92 1 . . . . . . . 3.98 1 1 93 1 . . . . . . . 2.4 1 1 94 1 . . . . . . . 5.5 1 1 95 1 . . . . . . . 5.5 1 1 96 1 . . . . . . . 6.38 1 1 97 1 . . . . . . . 6.38 1 1 98 1 . . . . . . . 7.4 1 1 99 1 . . . . . . . 6.07 1 1 100 1 . . . . . . . 3.98 1 1 101 1 . . . . . . . 3.08 1 1 102 1 . . . . . . . 6.38 1 1 103 1 . . . . . . . 5.5 1 1 104 1 . . . . . . . 4.17 1 1 105 1 . . . . . . . 5.5 1 1 106 1 . . . . . . . 3.39 1 1 107 1 . . . . . . . 3.98 1 1 108 1 . . . . . . . 2.43 1 1 109 1 . . . . . . . 3.8 1 1 110 1 . . . . . . . 5.5 1 1 111 1 . . . . . . . 3.28 1 1 112 1 . . . . . . . 5.11 1 1 113 1 . . . . . . . 6.38 1 1 114 1 . . . . . . . 3.61 1 1 115 1 . . . . . . . 2.93 1 1 116 1 . . . . . . . 5.5 1 1 117 1 . . . . . . . 4.48 1 1 118 1 . . . . . . . 5.75 1 1 119 1 . . . . . . . 3.61 1 1 120 1 . . . . . . . 5.5 1 1 121 1 . . . . . . . 4.24 1 1 122 1 . . . . . . . 3.61 1 1 123 1 . . . . . . . 6.53 1 1 124 1 . . . . . . . 6.53 1 1 125 1 . . . . . . . 3.8 1 1 126 1 . . . . . . . 6.53 1 1 127 1 . . . . . . . 5.5 1 1 128 1 . . . . . . . 6.53 1 1 129 1 . . . . . . . 5.5 1 1 130 1 . . . . . . . 5.5 1 1 131 1 . . . . . . . 4.11 1 1 132 1 . . . . . . . 5.5 1 1 133 1 . . . . . . . 3.28 1 1 134 1 . . . . . . . 4.17 1 1 135 1 . . . . . . . 5.5 1 1 136 1 . . . . . . . 4.61 1 1 137 1 . . . . . . . 5.5 1 1 138 1 . . . . . . . 5.5 1 1 139 1 . . . . . . . 3.62 1 1 140 1 . . . . . . . 3.58 1 1 141 1 . . . . . . . 5.5 1 1 142 1 . . . . . . . 3.11 1 1 143 1 . . . . . . . 6.53 1 1 144 1 . . . . . . . 2.8 1 1 145 1 . . . . . . . 6.53 1 1 146 1 . . . . . . . 6.53 1 1 147 1 . . . . . . . 6.53 1 1 148 1 . . . . . . . 4.72 1 1 149 1 . . . . . . . 6.53 1 1 150 1 . . . . . . . 6.53 1 1 151 1 . . . . . . . 5.5 1 1 152 1 . . . . . . . 4.54 1 1 153 1 . . . . . . . 5.5 1 1 154 1 . . . . . . . 5.57 1 1 155 1 . . . . . . . 2.4 1 1 156 1 . . . . . . . 6.38 1 1 157 1 . . . . . . . 5.5 1 1 158 1 . . . . . . . 5.5 1 1 159 1 . . . . . . . 3.73 1 1 160 1 . . . . . . . 5.82 1 1 161 1 . . . . . . . 3.14 1 1 162 1 . . . . . . . 5.75 1 1 163 1 . . . . . . . 5.5 1 1 164 1 . . . . . . . 5.1 1 1 165 1 . . . . . . . 5.5 1 1 166 1 . . . . . . . 3.67 1 1 167 1 . . . . . . . 7.62 1 1 168 1 . . . . . . . 7.62 1 1 169 1 . . . . . . . 4.11 1 1 170 1 . . . . . . . 5.26 1 1 171 1 . . . . . . . 6.53 1 1 172 1 . . . . . . . 6.53 1 1 173 1 . . . . . . . 8.65 1 1 174 1 . . . . . . . 8.09 1 1 175 1 . . . . . . . 6.53 1 1 176 1 . . . . . . . 3.43 1 1 177 1 . . . . . . . 3.67 1 1 178 1 . . . . . . . 3.42 1 1 179 1 . . . . . . . 4.54 1 1 180 1 . . . . . . . 7.62 1 1 181 1 . . . . . . . 7.28 1 1 182 1 . . . . . . . 6.4 1 1 183 1 . . . . . . . 5.44 1 1 184 1 . . . . . . . 6.53 1 1 185 1 . . . . . . . 4.98 1 1 186 1 . . . . . . . 7.29 1 1 187 1 . . . . . . . 8.65 1 1 188 1 . . . . . . . 3.86 1 1 189 1 . . . . . . . 4.96 1 1 190 1 . . . . . . . 2.99 1 1 191 1 . . . . . . . 5.47 1 1 192 1 . . . . . . . 3.24 1 1 193 1 . . . . . . . 5.41 1 1 194 1 . . . . . . . 6.53 1 1 195 1 . . . . . . . 5.31 1 1 196 1 . . . . . . . 6.53 1 1 197 1 . . . . . . . 7.62 1 1 198 1 . . . . . . . 7.62 1 1 199 1 . . . . . . . 8.65 1 1 200 1 . . . . . . . 7.62 1 1 201 1 . . . . . . . 6.2 1 1 202 1 . . . . . . . 8.65 1 1 203 1 . . . . . . . 7.62 1 1 204 1 . . . . . . . 7.62 1 1 205 1 . . . . . . . 6.69 1 1 206 1 . . . . . . . 7.69 1 1 207 1 . . . . . . . 8.37 1 1 208 1 . . . . . . . 7.62 1 1 209 1 . . . . . . . 7.09 1 1 210 1 . . . . . . . 8.65 1 1 211 1 . . . . . . . 3.08 1 1 212 1 . . . . . . . 4.72 1 1 213 1 . . . . . . . 5.13 1 1 214 1 . . . . . . . 3.89 1 1 215 1 . . . . . . . 5.28 1 1 216 1 . . . . . . . 4.72 1 1 217 1 . . . . . . . 2.52 1 1 218 1 . . . . . . . 6.53 1 1 219 1 . . . . . . . 3.24 1 1 220 1 . . . . . . . 6.53 1 1 221 1 . . . . . . . 3.95 1 1 222 1 . . . . . . . 7.53 1 1 223 1 . . . . . . . 3.43 1 1 224 1 . . . . . . . 3.52 1 1 225 1 . . . . . . . 6.28 1 1 226 1 . . . . . . . 7.4 1 1 227 1 . . . . . . . 3.43 1 1 228 1 . . . . . . . 5.5 1 1 229 1 . . . . . . . 5.5 1 1 230 1 . . . . . . . 5.18 1 1 231 1 . . . . . . . 6.38 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 TYR C C -8.152 -10.459 -13.567 1.00 . A A . 1 TYR C 1 1 1 2 1 1 1 TYR CA C -8.395 -10.825 -15.033 1.00 . A A . 1 TYR CA 1 1 1 3 1 1 1 TYR CB C -7.199 -10.364 -15.867 1.00 . A A . 1 TYR CB 1 1 1 4 1 1 1 TYR CD1 C -8.120 -8.272 -16.931 1.00 . A A . 1 TYR CD1 1 1 1 5 1 1 1 TYR CD2 C -6.178 -8.080 -15.550 1.00 . A A . 1 TYR CD2 1 1 1 6 1 1 1 TYR CE1 C -8.088 -6.852 -17.174 1.00 . A A . 1 TYR CE1 1 1 1 7 1 1 1 TYR CE2 C -6.146 -6.661 -15.793 1.00 . A A . 1 TYR CE2 1 1 1 8 1 1 1 TYR CG C -7.165 -8.856 -16.125 1.00 . A A . 1 TYR CG 1 1 1 9 1 1 1 TYR CZ C -7.102 -6.117 -16.592 1.00 . A A . 1 TYR CZ 1 1 1 10 1 1 1 TYR H1 H -10.302 -10.703 -15.863 1.00 . A A . 1 TYR H1 1 1 1 11 1 1 1 TYR HA H -8.595 -11.895 -15.104 1.00 . A A . 1 TYR HA 1 1 1 12 1 1 1 TYR HB2 H -6.280 -10.656 -15.359 1.00 . A A . 1 TYR HB2 1 1 1 13 1 1 1 TYR HB3 H -7.214 -10.885 -16.824 1.00 . A A . 1 TYR HB3 1 1 1 14 1 1 1 TYR HD1 H -8.899 -8.884 -17.385 1.00 . A A . 1 TYR HD1 1 1 1 15 1 1 1 TYR HD2 H -5.424 -8.542 -14.913 1.00 . A A . 1 TYR HD2 1 1 1 16 1 1 1 TYR HE1 H -8.836 -6.378 -17.808 1.00 . A A . 1 TYR HE1 1 1 1 17 1 1 1 TYR HE2 H -5.372 -6.037 -15.345 1.00 . A A . 1 TYR HE2 1 1 1 18 1 1 1 TYR HH H -6.139 -4.488 -17.039 1.00 . A A . 1 TYR HH 1 1 1 19 1 1 1 TYR N N -9.549 -10.118 -15.562 1.00 . A A . 1 TYR N 1 1 1 20 1 1 1 TYR O O -8.978 -9.793 -12.945 1.00 . A A . 1 TYR O 1 1 1 21 1 1 1 TYR OH O -7.072 -4.777 -16.821 1.00 . A A . 1 TYR OH 1 1 1 22 1 1 2 ALA C C -5.131 -10.501 -11.573 1.00 . A A . 2 ALA C 1 1 1 23 1 1 2 ALA CA C -6.651 -10.637 -11.679 1.00 . A A . 2 ALA CA 1 1 1 24 1 1 2 ALA CB C -7.202 -11.744 -10.778 1.00 . A A . 2 ALA CB 1 1 1 25 1 1 2 ALA H H -6.348 -11.449 -13.573 1.00 . A A . 2 ALA H 1 1 1 26 1 1 2 ALA HA H -7.113 -9.691 -11.395 1.00 . A A . 2 ALA HA 1 1 1 27 1 1 2 ALA HB1 H -6.923 -12.716 -11.184 1.00 . A A . 2 ALA HB1 1 1 1 28 1 1 2 ALA HB2 H -6.788 -11.636 -9.776 1.00 . A A . 2 ALA HB2 1 1 1 29 1 1 2 ALA HB3 H -8.289 -11.668 -10.733 1.00 . A A . 2 ALA HB3 1 1 1 30 1 1 2 ALA N N -7.014 -10.909 -13.059 1.00 . A A . 2 ALA N 1 1 1 31 1 1 2 ALA O O -4.482 -11.278 -10.874 1.00 . A A . 2 ALA O 1 1 1 32 1 1 3 PHE C C -2.853 -7.887 -12.861 1.00 . A A . 3 PHE C 1 1 1 33 1 1 3 PHE CA C -3.175 -9.261 -12.270 1.00 . A A . 3 PHE CA 1 1 1 34 1 1 3 PHE CB C -2.531 -10.341 -13.141 1.00 . A A . 3 PHE CB 1 1 1 35 1 1 3 PHE CD1 C -3.957 -10.789 -15.150 1.00 . A A . 3 PHE CD1 1 1 1 36 1 1 3 PHE CD2 C -2.006 -9.501 -15.441 1.00 . A A . 3 PHE CD2 1 1 1 37 1 1 3 PHE CE1 C -4.247 -10.663 -16.534 1.00 . A A . 3 PHE CE1 1 1 1 38 1 1 3 PHE CE2 C -2.296 -9.375 -16.826 1.00 . A A . 3 PHE CE2 1 1 1 39 1 1 3 PHE CG C -2.843 -10.205 -14.633 1.00 . A A . 3 PHE CG 1 1 1 40 1 1 3 PHE CZ C -3.411 -9.959 -17.343 1.00 . A A . 3 PHE CZ 1 1 1 41 1 1 3 PHE H H -5.142 -8.880 -12.842 1.00 . A A . 3 PHE H 1 1 1 42 1 1 3 PHE HA H -2.846 -9.294 -11.231 1.00 . A A . 3 PHE HA 1 1 1 43 1 1 3 PHE HB2 H -1.450 -10.309 -13.002 1.00 . A A . 3 PHE HB2 1 1 1 44 1 1 3 PHE HB3 H -2.867 -11.319 -12.798 1.00 . A A . 3 PHE HB3 1 1 1 45 1 1 3 PHE HD1 H -4.628 -11.353 -14.502 1.00 . A A . 3 PHE HD1 1 1 1 46 1 1 3 PHE HD2 H -1.113 -9.033 -15.027 1.00 . A A . 3 PHE HD2 1 1 1 47 1 1 3 PHE HE1 H -5.140 -11.130 -16.949 1.00 . A A . 3 PHE HE1 1 1 1 48 1 1 3 PHE HE2 H -1.626 -8.811 -17.474 1.00 . A A . 3 PHE HE2 1 1 1 49 1 1 3 PHE HZ H -3.633 -9.862 -18.406 1.00 . A A . 3 PHE HZ 1 1 1 50 1 1 3 PHE N N -4.607 -9.508 -12.276 1.00 . A A . 3 PHE N 1 1 1 51 1 1 3 PHE O O -1.788 -7.691 -13.443 1.00 . A A . 3 PHE O 1 1 1 52 1 1 4 ALA C C -4.952 -4.867 -13.089 1.00 . A A . 4 ALA C 1 1 1 53 1 1 4 ALA CA C -3.625 -5.619 -13.199 1.00 . A A . 4 ALA CA 1 1 1 54 1 1 4 ALA CB C -3.105 -5.677 -14.637 1.00 . A A . 4 ALA CB 1 1 1 55 1 1 4 ALA H H -4.658 -7.137 -12.215 1.00 . A A . 4 ALA H 1 1 1 56 1 1 4 ALA HA H -2.881 -5.121 -12.577 1.00 . A A . 4 ALA HA 1 1 1 57 1 1 4 ALA HB1 H -2.015 -5.676 -14.629 1.00 . A A . 4 ALA HB1 1 1 1 58 1 1 4 ALA HB2 H -3.464 -6.588 -15.117 1.00 . A A . 4 ALA HB2 1 1 1 59 1 1 4 ALA HB3 H -3.465 -4.809 -15.189 1.00 . A A . 4 ALA HB3 1 1 1 60 1 1 4 ALA N N -3.794 -6.970 -12.690 1.00 . A A . 4 ALA N 1 1 1 61 1 1 4 ALA O O -4.967 -3.648 -12.922 1.00 . A A . 4 ALA O 1 1 1 62 1 1 5 CYS C C -7.412 -4.133 -11.871 1.00 . A A . 5 CYS C 1 1 1 63 1 1 5 CYS CA C -7.364 -5.043 -13.100 1.00 . A A . 5 CYS CA 1 1 1 64 1 1 5 CYS CB C -8.450 -6.121 -13.054 1.00 . A A . 5 CYS CB 1 1 1 65 1 1 5 CYS H H -6.014 -6.614 -13.322 1.00 . A A . 5 CYS H 1 1 1 66 1 1 5 CYS HA H -7.515 -4.469 -14.013 1.00 . A A . 5 CYS HA 1 1 1 67 1 1 5 CYS HB2 H -7.997 -7.098 -12.884 1.00 . A A . 5 CYS HB2 1 1 1 68 1 1 5 CYS HB3 H -9.125 -5.933 -12.219 1.00 . A A . 5 CYS HB3 1 1 1 69 1 1 5 CYS HG H -9.202 -7.422 -14.888 1.00 . A A . 5 CYS HG 1 1 1 70 1 1 5 CYS N N -6.035 -5.624 -13.186 1.00 . A A . 5 CYS N 1 1 1 71 1 1 5 CYS O O -7.681 -2.938 -11.989 1.00 . A A . 5 CYS O 1 1 1 72 1 1 5 CYS SG S -9.388 -6.131 -14.625 1.00 . A A . 5 CYS SG 1 1 1 73 1 1 6 PRO C C -5.899 -3.130 -9.313 1.00 . A A . 6 PRO C 1 1 1 74 1 1 6 PRO CA C -7.148 -4.005 -9.440 1.00 . A A . 6 PRO CA 1 1 1 75 1 1 6 PRO CB C -7.244 -5.064 -8.354 1.00 . A A . 6 PRO CB 1 1 1 76 1 1 6 PRO CD C -6.816 -6.160 -10.511 1.00 . A A . 6 PRO CD 1 1 1 77 1 1 6 PRO CG C -6.819 -6.370 -9.005 1.00 . A A . 6 PRO CG 1 1 1 78 1 1 6 PRO HA H -7.925 -3.377 -9.415 1.00 . A A . 6 PRO HA 1 1 1 79 1 1 6 PRO HB2 H -6.598 -4.819 -7.511 1.00 . A A . 6 PRO HB2 1 1 1 80 1 1 6 PRO HB3 H -8.261 -5.134 -7.966 1.00 . A A . 6 PRO HB3 1 1 1 81 1 1 6 PRO HD2 H -5.845 -6.402 -10.943 1.00 . A A . 6 PRO HD2 1 1 1 82 1 1 6 PRO HD3 H -7.550 -6.799 -11.001 1.00 . A A . 6 PRO HD3 1 1 1 83 1 1 6 PRO HG2 H -5.828 -6.664 -8.659 1.00 . A A . 6 PRO HG2 1 1 1 84 1 1 6 PRO HG3 H -7.503 -7.173 -8.733 1.00 . A A . 6 PRO HG3 1 1 1 85 1 1 6 PRO N N -7.139 -4.747 -10.689 1.00 . A A . 6 PRO N 1 1 1 86 1 1 6 PRO O O -5.901 -1.975 -9.734 1.00 . A A . 6 PRO O 1 1 1 87 1 1 7 ALA C C -3.690 -2.168 -7.264 1.00 . A A . 7 ALA C 1 1 1 88 1 1 7 ALA CA C -3.610 -3.004 -8.543 1.00 . A A . 7 ALA CA 1 1 1 89 1 1 7 ALA CB C -3.316 -2.152 -9.780 1.00 . A A . 7 ALA CB 1 1 1 90 1 1 7 ALA H H -4.869 -4.656 -8.391 1.00 . A A . 7 ALA H 1 1 1 91 1 1 7 ALA HA H -2.819 -3.747 -8.433 1.00 . A A . 7 ALA HA 1 1 1 92 1 1 7 ALA HB1 H -3.907 -2.515 -10.620 1.00 . A A . 7 ALA HB1 1 1 1 93 1 1 7 ALA HB2 H -3.575 -1.113 -9.575 1.00 . A A . 7 ALA HB2 1 1 1 94 1 1 7 ALA HB3 H -2.256 -2.221 -10.024 1.00 . A A . 7 ALA HB3 1 1 1 95 1 1 7 ALA N N -4.862 -3.716 -8.731 1.00 . A A . 7 ALA N 1 1 1 96 1 1 7 ALA O O -3.016 -2.466 -6.280 1.00 . A A . 7 ALA O 1 1 1 97 1 1 8 CYS C C -6.156 0.203 -6.148 1.00 . A A . 8 CYS C 1 1 1 98 1 1 8 CYS CA C -4.697 -0.255 -6.180 1.00 . A A . 8 CYS CA 1 1 1 99 1 1 8 CYS CB C -3.728 0.928 -6.223 1.00 . A A . 8 CYS CB 1 1 1 100 1 1 8 CYS H H -5.064 -0.900 -8.126 1.00 . A A . 8 CYS H 1 1 1 101 1 1 8 CYS HA H -4.456 -0.840 -5.292 1.00 . A A . 8 CYS HA 1 1 1 102 1 1 8 CYS HB2 H -3.633 1.294 -7.246 1.00 . A A . 8 CYS HB2 1 1 1 103 1 1 8 CYS HB3 H -4.119 1.752 -5.625 1.00 . A A . 8 CYS HB3 1 1 1 104 1 1 8 CYS HG H -2.108 1.200 -4.512 1.00 . A A . 8 CYS HG 1 1 1 105 1 1 8 CYS N N -4.520 -1.137 -7.321 1.00 . A A . 8 CYS N 1 1 1 106 1 1 8 CYS O O -6.498 1.238 -6.718 1.00 . A A . 8 CYS O 1 1 1 107 1 1 8 CYS SG S -2.089 0.419 -5.588 1.00 . A A . 8 CYS SG 1 1 1 108 1 1 9 PRO C C -8.647 0.841 -4.352 1.00 . A A . 9 PRO C 1 1 1 109 1 1 9 PRO CA C -8.414 -0.299 -5.345 1.00 . A A . 9 PRO CA 1 1 1 110 1 1 9 PRO CB C -9.071 -1.602 -4.918 1.00 . A A . 9 PRO CB 1 1 1 111 1 1 9 PRO CD C -6.630 -1.844 -4.770 1.00 . A A . 9 PRO CD 1 1 1 112 1 1 9 PRO CG C -7.954 -2.468 -4.359 1.00 . A A . 9 PRO CG 1 1 1 113 1 1 9 PRO HA H -8.770 0.025 -6.222 1.00 . A A . 9 PRO HA 1 1 1 114 1 1 9 PRO HB2 H -9.840 -1.424 -4.167 1.00 . A A . 9 PRO HB2 1 1 1 115 1 1 9 PRO HB3 H -9.557 -2.089 -5.763 1.00 . A A . 9 PRO HB3 1 1 1 116 1 1 9 PRO HD2 H -6.002 -1.641 -3.903 1.00 . A A . 9 PRO HD2 1 1 1 117 1 1 9 PRO HD3 H -6.065 -2.508 -5.424 1.00 . A A . 9 PRO HD3 1 1 1 118 1 1 9 PRO HG2 H -8.026 -2.530 -3.274 1.00 . A A . 9 PRO HG2 1 1 1 119 1 1 9 PRO HG3 H -8.031 -3.486 -4.743 1.00 . A A . 9 PRO HG3 1 1 1 120 1 1 9 PRO N N -6.999 -0.611 -5.458 1.00 . A A . 9 PRO N 1 1 1 121 1 1 9 PRO O O -7.716 1.565 -4.003 1.00 . A A . 9 PRO O 1 1 1 122 1 1 10 LYS C C -10.374 1.400 -1.579 1.00 . A A . 10 LYS C 1 1 1 123 1 1 10 LYS CA C -10.262 2.006 -2.980 1.00 . A A . 10 LYS CA 1 1 1 124 1 1 10 LYS CB C -11.531 2.727 -3.441 1.00 . A A . 10 LYS CB 1 1 1 125 1 1 10 LYS CD C -12.148 5.172 -3.445 1.00 . A A . 10 LYS CD 1 1 1 126 1 1 10 LYS CE C -12.699 6.317 -2.594 1.00 . A A . 10 LYS CE 1 1 1 127 1 1 10 LYS CG C -11.806 3.959 -2.577 1.00 . A A . 10 LYS CG 1 1 1 128 1 1 10 LYS H H -10.647 0.373 -4.215 1.00 . A A . 10 LYS H 1 1 1 129 1 1 10 LYS HA H -9.458 2.742 -2.974 1.00 . A A . 10 LYS HA 1 1 1 130 1 1 10 LYS HB2 H -11.425 3.025 -4.484 1.00 . A A . 10 LYS HB2 1 1 1 131 1 1 10 LYS HB3 H -12.379 2.045 -3.390 1.00 . A A . 10 LYS HB3 1 1 1 132 1 1 10 LYS HD2 H -11.256 5.506 -3.977 1.00 . A A . 10 LYS HD2 1 1 1 133 1 1 10 LYS HD3 H -12.881 4.889 -4.200 1.00 . A A . 10 LYS HD3 1 1 1 134 1 1 10 LYS HE2 H -13.636 6.012 -2.126 1.00 . A A . 10 LYS HE2 1 1 1 135 1 1 10 LYS HE3 H -12.002 6.549 -1.789 1.00 . A A . 10 LYS HE3 1 1 1 136 1 1 10 LYS HG2 H -12.631 3.752 -1.895 1.00 . A A . 10 LYS HG2 1 1 1 137 1 1 10 LYS HG3 H -10.933 4.180 -1.964 1.00 . A A . 10 LYS HG3 1 1 1 138 1 1 10 LYS HZ1 H -13.862 7.520 -3.768 1.00 . A A . 10 LYS HZ1 1 1 1 139 1 1 10 LYS HZ2 H -12.769 8.340 -2.875 1.00 . A A . 10 LYS HZ2 1 1 1 140 1 1 10 LYS HZ3 H -12.287 7.514 -4.199 1.00 . A A . 10 LYS HZ3 1 1 1 141 1 1 10 LYS N N -9.895 0.966 -3.926 1.00 . A A . 10 LYS N 1 1 1 142 1 1 10 LYS NZ N -12.923 7.521 -3.426 1.00 . A A . 10 LYS NZ 1 1 1 143 1 1 10 LYS O O -10.739 2.089 -0.628 1.00 . A A . 10 LYS O 1 1 1 144 1 1 11 ARG C C -8.703 -0.841 0.306 1.00 . A A . 11 ARG C 1 1 1 145 1 1 11 ARG CA C -10.114 -0.590 -0.230 1.00 . A A . 11 ARG CA 1 1 1 146 1 1 11 ARG CB C -10.841 -1.928 -0.379 1.00 . A A . 11 ARG CB 1 1 1 147 1 1 11 ARG CD C -12.469 -3.083 -1.920 1.00 . A A . 11 ARG CD 1 1 1 148 1 1 11 ARG CG C -12.111 -1.772 -1.217 1.00 . A A . 11 ARG CG 1 1 1 149 1 1 11 ARG CZ C -11.209 -4.858 -3.132 1.00 . A A . 11 ARG CZ 1 1 1 150 1 1 11 ARG H H -9.758 -0.437 -2.276 1.00 . A A . 11 ARG H 1 1 1 151 1 1 11 ARG HA H -10.672 0.072 0.432 1.00 . A A . 11 ARG HA 1 1 1 152 1 1 11 ARG HB2 H -10.178 -2.656 -0.848 1.00 . A A . 11 ARG HB2 1 1 1 153 1 1 11 ARG HB3 H -11.097 -2.319 0.606 1.00 . A A . 11 ARG HB3 1 1 1 154 1 1 11 ARG HD2 H -12.830 -3.809 -1.191 1.00 . A A . 11 ARG HD2 1 1 1 155 1 1 11 ARG HD3 H -13.279 -2.915 -2.630 1.00 . A A . 11 ARG HD3 1 1 1 156 1 1 11 ARG HE H -10.488 -3.024 -2.725 1.00 . A A . 11 ARG HE 1 1 1 157 1 1 11 ARG HG2 H -12.937 -1.460 -0.578 1.00 . A A . 11 ARG HG2 1 1 1 158 1 1 11 ARG HG3 H -11.967 -0.986 -1.959 1.00 . A A . 11 ARG HG3 1 1 1 159 1 1 11 ARG HH11 H -13.085 -5.393 -2.555 1.00 . A A . 11 ARG HH11 1 1 1 160 1 1 11 ARG HH12 H -12.196 -6.616 -3.399 1.00 . A A . 11 ARG HH12 1 1 1 161 1 1 11 ARG HH21 H -9.315 -4.638 -3.839 1.00 . A A . 11 ARG HH21 1 1 1 162 1 1 11 ARG HH22 H -10.038 -6.184 -4.135 1.00 . A A . 11 ARG HH22 1 1 1 163 1 1 11 ARG N N -10.054 0.117 -1.498 1.00 . A A . 11 ARG N 1 1 1 164 1 1 11 ARG NE N -11.284 -3.621 -2.623 1.00 . A A . 11 ARG NE 1 1 1 165 1 1 11 ARG NH1 N -12.252 -5.693 -3.019 1.00 . A A . 11 ARG NH1 1 1 1 166 1 1 11 ARG NH2 N -10.093 -5.261 -3.755 1.00 . A A . 11 ARG NH2 1 1 1 167 1 1 11 ARG O O -8.473 -0.782 1.512 1.00 . A A . 11 ARG O 1 1 1 168 1 1 12 PHE C C -5.728 -0.103 0.247 1.00 . A A . 12 PHE C 1 1 1 169 1 1 12 PHE CA C -6.411 -1.376 -0.255 1.00 . A A . 12 PHE CA 1 1 1 170 1 1 12 PHE CB C -5.699 -1.858 -1.520 1.00 . A A . 12 PHE CB 1 1 1 171 1 1 12 PHE CD1 C -3.358 -2.146 -0.679 1.00 . A A . 12 PHE CD1 1 1 1 172 1 1 12 PHE CD2 C -4.451 -4.028 -1.579 1.00 . A A . 12 PHE CD2 1 1 1 173 1 1 12 PHE CE1 C -2.205 -2.935 -0.427 1.00 . A A . 12 PHE CE1 1 1 1 174 1 1 12 PHE CE2 C -3.298 -4.818 -1.328 1.00 . A A . 12 PHE CE2 1 1 1 175 1 1 12 PHE CG C -4.457 -2.709 -1.250 1.00 . A A . 12 PHE CG 1 1 1 176 1 1 12 PHE CZ C -2.199 -4.255 -0.757 1.00 . A A . 12 PHE CZ 1 1 1 177 1 1 12 PHE H H -7.989 -1.162 -1.599 1.00 . A A . 12 PHE H 1 1 1 178 1 1 12 PHE HA H -6.421 -2.120 0.542 1.00 . A A . 12 PHE HA 1 1 1 179 1 1 12 PHE HB2 H -6.400 -2.438 -2.121 1.00 . A A . 12 PHE HB2 1 1 1 180 1 1 12 PHE HB3 H -5.410 -0.991 -2.115 1.00 . A A . 12 PHE HB3 1 1 1 181 1 1 12 PHE HD1 H -3.363 -1.088 -0.414 1.00 . A A . 12 PHE HD1 1 1 1 182 1 1 12 PHE HD2 H -5.331 -4.479 -2.037 1.00 . A A . 12 PHE HD2 1 1 1 183 1 1 12 PHE HE1 H -1.325 -2.484 0.030 1.00 . A A . 12 PHE HE1 1 1 1 184 1 1 12 PHE HE2 H -3.293 -5.875 -1.592 1.00 . A A . 12 PHE HE2 1 1 1 185 1 1 12 PHE HZ H -1.314 -4.861 -0.564 1.00 . A A . 12 PHE HZ 1 1 1 186 1 1 12 PHE N N -7.794 -1.116 -0.619 1.00 . A A . 12 PHE N 1 1 1 187 1 1 12 PHE O O -4.995 -0.136 1.235 1.00 . A A . 12 PHE O 1 1 1 188 1 1 13 MET C C -5.582 2.547 1.402 1.00 . A A . 13 MET C 1 1 1 189 1 1 13 MET CA C -5.411 2.271 -0.093 1.00 . A A . 13 MET CA 1 1 1 190 1 1 13 MET CB C -6.085 3.383 -0.899 1.00 . A A . 13 MET CB 1 1 1 191 1 1 13 MET CE C -8.166 5.108 -2.848 1.00 . A A . 13 MET CE 1 1 1 192 1 1 13 MET CG C -7.573 3.088 -1.102 1.00 . A A . 13 MET CG 1 1 1 193 1 1 13 MET H H -6.589 1.007 -1.257 1.00 . A A . 13 MET H 1 1 1 194 1 1 13 MET HA H -4.351 2.191 -0.336 1.00 . A A . 13 MET HA 1 1 1 195 1 1 13 MET HB2 H -5.967 4.335 -0.381 1.00 . A A . 13 MET HB2 1 1 1 196 1 1 13 MET HB3 H -5.595 3.484 -1.867 1.00 . A A . 13 MET HB3 1 1 1 197 1 1 13 MET HE1 H -7.692 4.284 -3.382 1.00 . A A . 13 MET HE1 1 1 1 198 1 1 13 MET HE2 H -9.102 5.369 -3.340 1.00 . A A . 13 MET HE2 1 1 1 199 1 1 13 MET HE3 H -7.501 5.972 -2.851 1.00 . A A . 13 MET HE3 1 1 1 200 1 1 13 MET HG2 H -7.718 2.528 -2.026 1.00 . A A . 13 MET HG2 1 1 1 201 1 1 13 MET HG3 H -7.942 2.463 -0.289 1.00 . A A . 13 MET HG3 1 1 1 202 1 1 13 MET N N -5.992 0.989 -0.455 1.00 . A A . 13 MET N 1 1 1 203 1 1 13 MET O O -4.834 3.333 1.982 1.00 . A A . 13 MET O 1 1 1 204 1 1 13 MET SD S -8.495 4.615 -1.164 1.00 . A A . 13 MET SD 1 1 1 205 1 1 14 ARG C C -5.760 1.383 4.238 1.00 . A A . 14 ARG C 1 1 1 206 1 1 14 ARG CA C -6.852 2.051 3.400 1.00 . A A . 14 ARG CA 1 1 1 207 1 1 14 ARG CB C -8.208 1.447 3.768 1.00 . A A . 14 ARG CB 1 1 1 208 1 1 14 ARG CD C -9.072 3.446 2.497 1.00 . A A . 14 ARG CD 1 1 1 209 1 1 14 ARG CG C -9.312 1.977 2.850 1.00 . A A . 14 ARG CG 1 1 1 210 1 1 14 ARG CZ C -10.374 5.280 1.424 1.00 . A A . 14 ARG CZ 1 1 1 211 1 1 14 ARG H H -7.177 1.249 1.505 1.00 . A A . 14 ARG H 1 1 1 212 1 1 14 ARG HA H -6.863 3.130 3.558 1.00 . A A . 14 ARG HA 1 1 1 213 1 1 14 ARG HB2 H -8.159 0.361 3.693 1.00 . A A . 14 ARG HB2 1 1 1 214 1 1 14 ARG HB3 H -8.447 1.684 4.805 1.00 . A A . 14 ARG HB3 1 1 1 215 1 1 14 ARG HD2 H -8.861 4.017 3.401 1.00 . A A . 14 ARG HD2 1 1 1 216 1 1 14 ARG HD3 H -8.197 3.536 1.852 1.00 . A A . 14 ARG HD3 1 1 1 217 1 1 14 ARG HE H -11.029 3.388 1.633 1.00 . A A . 14 ARG HE 1 1 1 218 1 1 14 ARG HG2 H -9.349 1.381 1.938 1.00 . A A . 14 ARG HG2 1 1 1 219 1 1 14 ARG HG3 H -10.280 1.871 3.340 1.00 . A A . 14 ARG HG3 1 1 1 220 1 1 14 ARG HH11 H -8.538 5.829 2.104 1.00 . A A . 14 ARG HH11 1 1 1 221 1 1 14 ARG HH12 H -9.455 7.093 1.356 1.00 . A A . 14 ARG HH12 1 1 1 222 1 1 14 ARG HH21 H -12.239 5.056 0.646 1.00 . A A . 14 ARG HH21 1 1 1 223 1 1 14 ARG HH22 H -11.575 6.651 0.521 1.00 . A A . 14 ARG HH22 1 1 1 224 1 1 14 ARG N N -6.572 1.886 1.984 1.00 . A A . 14 ARG N 1 1 1 225 1 1 14 ARG NE N -10.261 4.003 1.814 1.00 . A A . 14 ARG NE 1 1 1 226 1 1 14 ARG NH1 N -9.371 6.140 1.647 1.00 . A A . 14 ARG NH1 1 1 1 227 1 1 14 ARG NH2 N -11.491 5.698 0.812 1.00 . A A . 14 ARG NH2 1 1 1 228 1 1 14 ARG O O -5.218 1.993 5.159 1.00 . A A . 14 ARG O 1 1 1 229 1 1 15 SER C C -3.067 -0.297 4.027 1.00 . A A . 15 SER C 1 1 1 230 1 1 15 SER CA C -4.450 -0.619 4.596 1.00 . A A . 15 SER CA 1 1 1 231 1 1 15 SER CB C -4.723 -2.122 4.510 1.00 . A A . 15 SER CB 1 1 1 232 1 1 15 SER H H -5.913 -0.350 3.138 1.00 . A A . 15 SER H 1 1 1 233 1 1 15 SER HA H -4.521 -0.296 5.635 1.00 . A A . 15 SER HA 1 1 1 234 1 1 15 SER HB2 H -5.321 -2.332 3.624 1.00 . A A . 15 SER HB2 1 1 1 235 1 1 15 SER HB3 H -3.780 -2.655 4.391 1.00 . A A . 15 SER HB3 1 1 1 236 1 1 15 SER HG H -6.376 -2.401 5.603 1.00 . A A . 15 SER HG 1 1 1 237 1 1 15 SER N N -5.468 0.139 3.888 1.00 . A A . 15 SER N 1 1 1 238 1 1 15 SER O O -2.085 -0.958 4.360 1.00 . A A . 15 SER O 1 1 1 239 1 1 15 SER OG O -5.400 -2.609 5.665 1.00 . A A . 15 SER OG 1 1 1 240 1 1 16 ASP C C -1.391 2.513 3.099 1.00 . A A . 16 ASP C 1 1 1 241 1 1 16 ASP CA C -1.788 1.138 2.559 1.00 . A A . 16 ASP CA 1 1 1 242 1 1 16 ASP CB C -1.938 1.252 1.040 1.00 . A A . 16 ASP CB 1 1 1 243 1 1 16 ASP CG C -1.253 0.144 0.238 1.00 . A A . 16 ASP CG 1 1 1 244 1 1 16 ASP H H -3.838 1.253 2.912 1.00 . A A . 16 ASP H 1 1 1 245 1 1 16 ASP HA H -1.066 0.363 2.818 1.00 . A A . 16 ASP HA 1 1 1 246 1 1 16 ASP HB2 H -3.000 1.254 0.795 1.00 . A A . 16 ASP HB2 1 1 1 247 1 1 16 ASP HB3 H -1.535 2.213 0.722 1.00 . A A . 16 ASP HB3 1 1 1 248 1 1 16 ASP N N -3.034 0.720 3.178 1.00 . A A . 16 ASP N 1 1 1 249 1 1 16 ASP O O -0.228 2.904 3.016 1.00 . A A . 16 ASP O 1 1 1 250 1 1 16 ASP OD1 O -0.495 -0.626 0.866 1.00 . A A . 16 ASP OD1 1 1 1 251 1 1 16 ASP OD2 O -1.503 0.092 -0.986 1.00 . A A . 16 ASP OD2 1 1 1 252 1 1 17 ALA C C -1.711 4.399 5.655 1.00 . A A . 17 ALA C 1 1 1 253 1 1 17 ALA CA C -2.149 4.531 4.195 1.00 . A A . 17 ALA CA 1 1 1 254 1 1 17 ALA CB C -3.414 5.378 4.041 1.00 . A A . 17 ALA CB 1 1 1 255 1 1 17 ALA H H -3.324 2.883 3.704 1.00 . A A . 17 ALA H 1 1 1 256 1 1 17 ALA HA H -1.344 4.994 3.624 1.00 . A A . 17 ALA HA 1 1 1 257 1 1 17 ALA HB1 H -4.125 4.856 3.400 1.00 . A A . 17 ALA HB1 1 1 1 258 1 1 17 ALA HB2 H -3.861 5.544 5.020 1.00 . A A . 17 ALA HB2 1 1 1 259 1 1 17 ALA HB3 H -3.156 6.337 3.591 1.00 . A A . 17 ALA HB3 1 1 1 260 1 1 17 ALA N N -2.380 3.208 3.641 1.00 . A A . 17 ALA N 1 1 1 261 1 1 17 ALA O O -1.943 5.298 6.461 1.00 . A A . 17 ALA O 1 1 1 262 1 1 18 LEU C C 0.170 1.692 7.315 1.00 . A A . 18 LEU C 1 1 1 263 1 1 18 LEU CA C -0.612 3.007 7.300 1.00 . A A . 18 LEU CA 1 1 1 264 1 1 18 LEU CB C -1.776 3.043 8.292 1.00 . A A . 18 LEU CB 1 1 1 265 1 1 18 LEU CD1 C -2.487 0.868 7.233 1.00 . A A . 18 LEU CD1 1 1 1 266 1 1 18 LEU CD2 C -1.966 0.968 9.713 1.00 . A A . 18 LEU CD2 1 1 1 267 1 1 18 LEU CG C -2.518 1.721 8.502 1.00 . A A . 18 LEU CG 1 1 1 268 1 1 18 LEU H H -0.899 2.543 5.290 1.00 . A A . 18 LEU H 1 1 1 269 1 1 18 LEU HA H 0.067 3.816 7.571 1.00 . A A . 18 LEU HA 1 1 1 270 1 1 18 LEU HB2 H -1.395 3.380 9.256 1.00 . A A . 18 LEU HB2 1 1 1 271 1 1 18 LEU HB3 H -2.493 3.790 7.953 1.00 . A A . 18 LEU HB3 1 1 1 272 1 1 18 LEU HD11 H -2.389 1.515 6.361 1.00 . A A . 18 LEU HD11 1 1 1 273 1 1 18 LEU HD12 H -1.639 0.184 7.275 1.00 . A A . 18 LEU HD12 1 1 1 274 1 1 18 LEU HD13 H -3.412 0.295 7.157 1.00 . A A . 18 LEU HD13 1 1 1 275 1 1 18 LEU HD21 H -1.541 0.018 9.388 1.00 . A A . 18 LEU HD21 1 1 1 276 1 1 18 LEU HD22 H -1.191 1.567 10.191 1.00 . A A . 18 LEU HD22 1 1 1 277 1 1 18 LEU HD23 H -2.771 0.781 10.424 1.00 . A A . 18 LEU HD23 1 1 1 278 1 1 18 LEU HG H -3.564 1.947 8.712 1.00 . A A . 18 LEU HG 1 1 1 279 1 1 18 LEU N N -1.084 3.269 5.951 1.00 . A A . 18 LEU N 1 1 1 280 1 1 18 LEU O O 0.125 0.951 8.296 1.00 . A A . 18 LEU O 1 1 1 281 1 1 19 SER C C 2.855 0.478 5.172 1.00 . A A . 19 SER C 1 1 1 282 1 1 19 SER CA C 1.659 0.230 6.092 1.00 . A A . 19 SER CA 1 1 1 283 1 1 19 SER CB C 0.811 -0.927 5.561 1.00 . A A . 19 SER CB 1 1 1 284 1 1 19 SER H H 0.899 2.051 5.424 1.00 . A A . 19 SER H 1 1 1 285 1 1 19 SER HA H 1.995 -0.001 7.103 1.00 . A A . 19 SER HA 1 1 1 286 1 1 19 SER HB2 H 0.037 -0.536 4.901 1.00 . A A . 19 SER HB2 1 1 1 287 1 1 19 SER HB3 H 1.436 -1.589 4.962 1.00 . A A . 19 SER HB3 1 1 1 288 1 1 19 SER HG H -0.080 -1.056 7.348 1.00 . A A . 19 SER HG 1 1 1 289 1 1 19 SER N N 0.868 1.443 6.217 1.00 . A A . 19 SER N 1 1 1 290 1 1 19 SER O O 3.416 -0.462 4.610 1.00 . A A . 19 SER O 1 1 1 291 1 1 19 SER OG O 0.204 -1.672 6.613 1.00 . A A . 19 SER OG 1 1 1 292 1 1 20 LYS C C 5.208 3.136 4.952 1.00 . A A . 20 LYS C 1 1 1 293 1 1 20 LYS CA C 4.331 2.131 4.202 1.00 . A A . 20 LYS CA 1 1 1 294 1 1 20 LYS CB C 3.832 2.640 2.848 1.00 . A A . 20 LYS CB 1 1 1 295 1 1 20 LYS CD C 3.152 5.002 3.410 1.00 . A A . 20 LYS CD 1 1 1 296 1 1 20 LYS CE C 3.989 5.619 2.288 1.00 . A A . 20 LYS CE 1 1 1 297 1 1 20 LYS CG C 2.659 3.607 3.023 1.00 . A A . 20 LYS CG 1 1 1 298 1 1 20 LYS H H 2.749 2.506 5.505 1.00 . A A . 20 LYS H 1 1 1 299 1 1 20 LYS HA H 4.919 1.233 4.012 1.00 . A A . 20 LYS HA 1 1 1 300 1 1 20 LYS HB2 H 4.645 3.141 2.322 1.00 . A A . 20 LYS HB2 1 1 1 301 1 1 20 LYS HB3 H 3.524 1.797 2.230 1.00 . A A . 20 LYS HB3 1 1 1 302 1 1 20 LYS HD2 H 2.300 5.646 3.629 1.00 . A A . 20 LYS HD2 1 1 1 303 1 1 20 LYS HD3 H 3.747 4.942 4.322 1.00 . A A . 20 LYS HD3 1 1 1 304 1 1 20 LYS HE2 H 5.045 5.588 2.555 1.00 . A A . 20 LYS HE2 1 1 1 305 1 1 20 LYS HE3 H 3.874 5.033 1.376 1.00 . A A . 20 LYS HE3 1 1 1 306 1 1 20 LYS HG2 H 2.088 3.663 2.097 1.00 . A A . 20 LYS HG2 1 1 1 307 1 1 20 LYS HG3 H 1.984 3.229 3.792 1.00 . A A . 20 LYS HG3 1 1 1 308 1 1 20 LYS HZ1 H 4.186 7.433 1.367 1.00 . A A . 20 LYS HZ1 1 1 1 309 1 1 20 LYS HZ2 H 2.637 7.031 1.693 1.00 . A A . 20 LYS HZ2 1 1 1 310 1 1 20 LYS HZ3 H 3.620 7.535 2.896 1.00 . A A . 20 LYS HZ3 1 1 1 311 1 1 20 LYS N N 3.211 1.748 5.045 1.00 . A A . 20 LYS N 1 1 1 312 1 1 20 LYS NZ N 3.574 7.018 2.041 1.00 . A A . 20 LYS NZ 1 1 1 313 1 1 20 LYS O O 5.965 3.884 4.337 1.00 . A A . 20 LYS O 1 1 1 314 1 1 21 HIS C C 5.735 3.581 8.572 1.00 . A A . 21 HIS C 1 1 1 315 1 1 21 HIS CA C 5.846 4.021 7.111 1.00 . A A . 21 HIS CA 1 1 1 316 1 1 21 HIS CB C 5.412 5.472 6.894 1.00 . A A . 21 HIS CB 1 1 1 317 1 1 21 HIS CD2 C 3.795 6.439 8.705 1.00 . A A . 21 HIS CD2 1 1 1 318 1 1 21 HIS CE1 C 1.900 5.942 7.730 1.00 . A A . 21 HIS CE1 1 1 1 319 1 1 21 HIS CG C 4.085 5.817 7.527 1.00 . A A . 21 HIS CG 1 1 1 320 1 1 21 HIS H H 4.456 2.508 6.763 1.00 . A A . 21 HIS H 1 1 1 321 1 1 21 HIS HA H 6.885 3.933 6.792 1.00 . A A . 21 HIS HA 1 1 1 322 1 1 21 HIS HB2 H 6.178 6.134 7.297 1.00 . A A . 21 HIS HB2 1 1 1 323 1 1 21 HIS HB3 H 5.353 5.666 5.823 1.00 . A A . 21 HIS HB3 1 1 1 324 1 1 21 HIS HD1 H 2.747 5.053 6.057 1.00 . A A . 21 HIS HD1 1 1 1 325 1 1 21 HIS HD2 H 4.524 6.811 9.426 1.00 . A A . 21 HIS HD2 1 1 1 326 1 1 21 HIS HE1 H 0.831 5.852 7.541 1.00 . A A . 21 HIS HE1 1 1 1 327 1 1 21 HIS HE2 H 1.984 6.874 9.620 1.00 . A A . 21 HIS HE2 1 1 1 328 1 1 21 HIS N N 5.075 3.120 6.270 1.00 . A A . 21 HIS N 1 1 1 329 1 1 21 HIS ND1 N 2.871 5.515 6.935 1.00 . A A . 21 HIS ND1 1 1 1 330 1 1 21 HIS NE2 N 2.475 6.515 8.826 1.00 . A A . 21 HIS NE2 1 1 1 331 1 1 21 HIS O O 6.731 3.552 9.293 1.00 . A A . 21 HIS O 1 1 1 332 1 1 22 ILE C C 4.816 1.398 10.517 1.00 . A A . 22 ILE C 1 1 1 333 1 1 22 ILE CA C 4.259 2.811 10.327 1.00 . A A . 22 ILE CA 1 1 1 334 1 1 22 ILE CB C 2.771 2.936 10.661 1.00 . A A . 22 ILE CB 1 1 1 335 1 1 22 ILE CD1 C 2.170 0.512 10.309 1.00 . A A . 22 ILE CD1 1 1 1 336 1 1 22 ILE CG1 C 1.940 1.949 9.837 1.00 . A A . 22 ILE CG1 1 1 1 337 1 1 22 ILE CG2 C 2.290 4.377 10.486 1.00 . A A . 22 ILE CG2 1 1 1 338 1 1 22 ILE H H 3.709 3.274 8.372 1.00 . A A . 22 ILE H 1 1 1 339 1 1 22 ILE HA H 4.797 3.486 10.993 1.00 . A A . 22 ILE HA 1 1 1 340 1 1 22 ILE HB H 2.634 2.675 11.710 1.00 . A A . 22 ILE HB 1 1 1 341 1 1 22 ILE HD11 H 2.765 -0.022 9.568 1.00 . A A . 22 ILE HD11 1 1 1 342 1 1 22 ILE HD12 H 2.698 0.522 11.262 1.00 . A A . 22 ILE HD12 1 1 1 343 1 1 22 ILE HD13 H 1.209 0.012 10.431 1.00 . A A . 22 ILE HD13 1 1 1 344 1 1 22 ILE HG12 H 0.883 2.200 9.923 1.00 . A A . 22 ILE HG12 1 1 1 345 1 1 22 ILE HG13 H 2.204 2.037 8.784 1.00 . A A . 22 ILE HG13 1 1 1 346 1 1 22 ILE HG21 H 1.745 4.467 9.546 1.00 . A A . 22 ILE HG21 1 1 1 347 1 1 22 ILE HG22 H 1.632 4.643 11.313 1.00 . A A . 22 ILE HG22 1 1 1 348 1 1 22 ILE HG23 H 3.148 5.048 10.474 1.00 . A A . 22 ILE HG23 1 1 1 349 1 1 22 ILE N N 4.514 3.248 8.965 1.00 . A A . 22 ILE N 1 1 1 350 1 1 22 ILE O O 5.035 0.960 11.645 1.00 . A A . 22 ILE O 1 1 1 351 1 1 23 LYS C C 7.075 -0.578 9.583 1.00 . A A . 23 LYS C 1 1 1 352 1 1 23 LYS CA C 5.554 -0.630 9.424 1.00 . A A . 23 LYS CA 1 1 1 353 1 1 23 LYS CB C 5.091 -1.411 8.193 1.00 . A A . 23 LYS CB 1 1 1 354 1 1 23 LYS CD C 4.793 -3.468 9.621 1.00 . A A . 23 LYS CD 1 1 1 355 1 1 23 LYS CE C 3.864 -3.694 10.815 1.00 . A A . 23 LYS CE 1 1 1 356 1 1 23 LYS CG C 4.143 -2.545 8.588 1.00 . A A . 23 LYS CG 1 1 1 357 1 1 23 LYS H H 4.847 1.088 8.482 1.00 . A A . 23 LYS H 1 1 1 358 1 1 23 LYS HA H 5.132 -1.126 10.298 1.00 . A A . 23 LYS HA 1 1 1 359 1 1 23 LYS HB2 H 4.588 -0.738 7.498 1.00 . A A . 23 LYS HB2 1 1 1 360 1 1 23 LYS HB3 H 5.955 -1.820 7.671 1.00 . A A . 23 LYS HB3 1 1 1 361 1 1 23 LYS HD2 H 5.035 -4.425 9.158 1.00 . A A . 23 LYS HD2 1 1 1 362 1 1 23 LYS HD3 H 5.732 -3.033 9.963 1.00 . A A . 23 LYS HD3 1 1 1 363 1 1 23 LYS HE2 H 4.148 -3.033 11.634 1.00 . A A . 23 LYS HE2 1 1 1 364 1 1 23 LYS HE3 H 2.841 -3.441 10.541 1.00 . A A . 23 LYS HE3 1 1 1 365 1 1 23 LYS HG2 H 3.222 -2.129 8.996 1.00 . A A . 23 LYS HG2 1 1 1 366 1 1 23 LYS HG3 H 3.869 -3.120 7.703 1.00 . A A . 23 LYS HG3 1 1 1 367 1 1 23 LYS HZ1 H 3.622 -5.703 10.523 1.00 . A A . 23 LYS HZ1 1 1 1 368 1 1 23 LYS HZ2 H 4.871 -5.333 11.508 1.00 . A A . 23 LYS HZ2 1 1 1 369 1 1 23 LYS HZ3 H 3.338 -5.228 12.060 1.00 . A A . 23 LYS HZ3 1 1 1 370 1 1 23 LYS N N 5.028 0.724 9.396 1.00 . A A . 23 LYS N 1 1 1 371 1 1 23 LYS NZ N 3.929 -5.104 11.263 1.00 . A A . 23 LYS NZ 1 1 1 372 1 1 23 LYS O O 7.741 -1.611 9.555 1.00 . A A . 23 LYS O 1 1 1 373 1 1 24 THR C C 9.293 2.238 10.453 1.00 . A A . 24 THR C 1 1 1 374 1 1 24 THR CA C 9.010 0.837 9.910 1.00 . A A . 24 THR CA 1 1 1 375 1 1 24 THR CB C 9.683 0.559 8.564 1.00 . A A . 24 THR CB 1 1 1 376 1 1 24 THR CG2 C 9.186 1.492 7.457 1.00 . A A . 24 THR CG2 1 1 1 377 1 1 24 THR H H 7.031 1.472 9.768 1.00 . A A . 24 THR H 1 1 1 378 1 1 24 THR HA H 9.373 0.126 10.652 1.00 . A A . 24 THR HA 1 1 1 379 1 1 24 THR HB H 9.562 -0.485 8.276 1.00 . A A . 24 THR HB 1 1 1 380 1 1 24 THR HG1 H 11.403 0.510 9.586 1.00 . A A . 24 THR HG1 1 1 1 381 1 1 24 THR HG21 H 8.349 2.083 7.829 1.00 . A A . 24 THR HG21 1 1 1 382 1 1 24 THR HG22 H 9.994 2.157 7.153 1.00 . A A . 24 THR HG22 1 1 1 383 1 1 24 THR HG23 H 8.861 0.900 6.602 1.00 . A A . 24 THR HG23 1 1 1 384 1 1 24 THR N N 7.580 0.636 9.746 1.00 . A A . 24 THR N 1 1 1 385 1 1 24 THR O O 8.726 2.641 11.468 1.00 . A A . 24 THR O 1 1 1 386 1 1 24 THR OG1 O 11.038 0.951 8.766 1.00 . A A . 24 THR OG1 1 1 1 387 1 1 25 ALA C C 11.769 4.736 9.364 1.00 . A A . 25 ALA C 1 1 1 388 1 1 25 ALA CA C 10.536 4.291 10.154 1.00 . A A . 25 ALA CA 1 1 1 389 1 1 25 ALA CB C 10.767 4.331 11.666 1.00 . A A . 25 ALA CB 1 1 1 390 1 1 25 ALA H H 10.628 2.608 8.930 1.00 . A A . 25 ALA H 1 1 1 391 1 1 25 ALA HA H 9.702 4.948 9.909 1.00 . A A . 25 ALA HA 1 1 1 392 1 1 25 ALA HB1 H 9.809 4.428 12.177 1.00 . A A . 25 ALA HB1 1 1 1 393 1 1 25 ALA HB2 H 11.257 3.410 11.983 1.00 . A A . 25 ALA HB2 1 1 1 394 1 1 25 ALA HB3 H 11.399 5.183 11.915 1.00 . A A . 25 ALA HB3 1 1 1 395 1 1 25 ALA N N 10.171 2.943 9.754 1.00 . A A . 25 ALA N 1 1 1 396 1 1 25 ALA O O 12.833 4.960 9.941 1.00 . A A . 25 ALA O 1 1 1 397 1 1 26 PHE C C 12.211 5.309 5.724 1.00 . A A . 26 PHE C 1 1 1 398 1 1 26 PHE CA C 12.670 5.264 7.183 1.00 . A A . 26 PHE CA 1 1 1 399 1 1 26 PHE CB C 13.781 4.222 7.324 1.00 . A A . 26 PHE CB 1 1 1 400 1 1 26 PHE CD1 C 12.147 2.589 6.359 1.00 . A A . 26 PHE CD1 1 1 1 401 1 1 26 PHE CD2 C 14.376 1.886 6.647 1.00 . A A . 26 PHE CD2 1 1 1 402 1 1 26 PHE CE1 C 11.813 1.313 5.832 1.00 . A A . 26 PHE CE1 1 1 1 403 1 1 26 PHE CE2 C 14.043 0.611 6.120 1.00 . A A . 26 PHE CE2 1 1 1 404 1 1 26 PHE CG C 13.421 2.848 6.756 1.00 . A A . 26 PHE CG 1 1 1 405 1 1 26 PHE CZ C 12.768 0.351 5.724 1.00 . A A . 26 PHE CZ 1 1 1 406 1 1 26 PHE H H 10.718 4.667 7.596 1.00 . A A . 26 PHE H 1 1 1 407 1 1 26 PHE HA H 12.975 6.263 7.496 1.00 . A A . 26 PHE HA 1 1 1 408 1 1 26 PHE HB2 H 14.676 4.589 6.821 1.00 . A A . 26 PHE HB2 1 1 1 409 1 1 26 PHE HB3 H 14.031 4.114 8.379 1.00 . A A . 26 PHE HB3 1 1 1 410 1 1 26 PHE HD1 H 11.381 3.360 6.446 1.00 . A A . 26 PHE HD1 1 1 1 411 1 1 26 PHE HD2 H 15.398 2.094 6.965 1.00 . A A . 26 PHE HD2 1 1 1 412 1 1 26 PHE HE1 H 10.791 1.105 5.514 1.00 . A A . 26 PHE HE1 1 1 1 413 1 1 26 PHE HE2 H 14.808 -0.161 6.033 1.00 . A A . 26 PHE HE2 1 1 1 414 1 1 26 PHE HZ H 12.512 -0.628 5.319 1.00 . A A . 26 PHE HZ 1 1 1 415 1 1 26 PHE N N 11.586 4.851 8.057 1.00 . A A . 26 PHE N 1 1 1 416 1 1 26 PHE O O 11.017 5.417 5.448 1.00 . A A . 26 PHE O 1 1 1 417 1 1 27 ILE C C 13.693 4.150 2.704 1.00 . A A . 27 ILE C 1 1 1 418 1 1 27 ILE CA C 12.894 5.252 3.405 1.00 . A A . 27 ILE CA 1 1 1 419 1 1 27 ILE CB C 13.145 6.649 2.835 1.00 . A A . 27 ILE CB 1 1 1 420 1 1 27 ILE CD1 C 15.119 6.810 1.275 1.00 . A A . 27 ILE CD1 1 1 1 421 1 1 27 ILE CG1 C 14.644 6.936 2.723 1.00 . A A . 27 ILE CG1 1 1 1 422 1 1 27 ILE CG2 C 12.418 7.715 3.658 1.00 . A A . 27 ILE CG2 1 1 1 423 1 1 27 ILE H H 14.152 5.135 5.061 1.00 . A A . 27 ILE H 1 1 1 424 1 1 27 ILE HA H 11.832 5.039 3.282 1.00 . A A . 27 ILE HA 1 1 1 425 1 1 27 ILE HB H 12.734 6.686 1.826 1.00 . A A . 27 ILE HB 1 1 1 426 1 1 27 ILE HD11 H 14.574 6.006 0.781 1.00 . A A . 27 ILE HD11 1 1 1 427 1 1 27 ILE HD12 H 14.936 7.748 0.750 1.00 . A A . 27 ILE HD12 1 1 1 428 1 1 27 ILE HD13 H 16.186 6.588 1.260 1.00 . A A . 27 ILE HD13 1 1 1 429 1 1 27 ILE HG12 H 14.854 7.939 3.094 1.00 . A A . 27 ILE HG12 1 1 1 430 1 1 27 ILE HG13 H 15.198 6.240 3.353 1.00 . A A . 27 ILE HG13 1 1 1 431 1 1 27 ILE HG21 H 11.398 7.386 3.858 1.00 . A A . 27 ILE HG21 1 1 1 432 1 1 27 ILE HG22 H 12.942 7.866 4.602 1.00 . A A . 27 ILE HG22 1 1 1 433 1 1 27 ILE HG23 H 12.395 8.651 3.101 1.00 . A A . 27 ILE HG23 1 1 1 434 1 1 27 ILE N N 13.183 5.223 4.828 1.00 . A A . 27 ILE N 1 1 1 435 1 1 27 ILE O O 14.811 4.384 2.247 1.00 . A A . 27 ILE O 1 1 1 436 1 1 28 VAL C C 12.670 0.781 1.671 1.00 . A A . 28 VAL C 1 1 1 437 1 1 28 VAL CA C 13.728 1.835 2.004 1.00 . A A . 28 VAL CA 1 1 1 438 1 1 28 VAL CB C 14.848 1.298 2.897 1.00 . A A . 28 VAL CB 1 1 1 439 1 1 28 VAL CG1 C 15.201 -0.144 2.525 1.00 . A A . 28 VAL CG1 1 1 1 440 1 1 28 VAL CG2 C 16.082 2.199 2.831 1.00 . A A . 28 VAL CG2 1 1 1 441 1 1 28 VAL H H 12.178 2.792 3.016 1.00 . A A . 28 VAL H 1 1 1 442 1 1 28 VAL HA H 14.176 2.188 1.075 1.00 . A A . 28 VAL HA 1 1 1 443 1 1 28 VAL HB H 14.487 1.300 3.926 1.00 . A A . 28 VAL HB 1 1 1 444 1 1 28 VAL HG11 H 14.896 -0.339 1.497 1.00 . A A . 28 VAL HG11 1 1 1 445 1 1 28 VAL HG12 H 16.277 -0.290 2.620 1.00 . A A . 28 VAL HG12 1 1 1 446 1 1 28 VAL HG13 H 14.681 -0.829 3.194 1.00 . A A . 28 VAL HG13 1 1 1 447 1 1 28 VAL HG21 H 15.971 3.020 3.540 1.00 . A A . 28 VAL HG21 1 1 1 448 1 1 28 VAL HG22 H 16.970 1.619 3.083 1.00 . A A . 28 VAL HG22 1 1 1 449 1 1 28 VAL HG23 H 16.185 2.601 1.823 1.00 . A A . 28 VAL HG23 1 1 1 450 1 1 28 VAL N N 13.087 2.973 2.641 1.00 . A A . 28 VAL N 1 1 1 451 1 1 28 VAL O O 12.586 0.318 0.535 1.00 . A A . 28 VAL O 1 1 1 452 1 1 29 VAL C C 9.524 -0.001 3.054 1.00 . A A . 29 VAL C 1 1 1 453 1 1 29 VAL CA C 10.841 -0.560 2.513 1.00 . A A . 29 VAL CA 1 1 1 454 1 1 29 VAL CB C 11.251 -1.875 3.178 1.00 . A A . 29 VAL CB 1 1 1 455 1 1 29 VAL CG1 C 10.274 -2.997 2.822 1.00 . A A . 29 VAL CG1 1 1 1 456 1 1 29 VAL CG2 C 12.685 -2.256 2.802 1.00 . A A . 29 VAL CG2 1 1 1 457 1 1 29 VAL H H 11.965 0.813 3.605 1.00 . A A . 29 VAL H 1 1 1 458 1 1 29 VAL HA H 10.732 -0.742 1.444 1.00 . A A . 29 VAL HA 1 1 1 459 1 1 29 VAL HB H 11.216 -1.730 4.257 1.00 . A A . 29 VAL HB 1 1 1 460 1 1 29 VAL HG11 H 9.877 -2.829 1.821 1.00 . A A . 29 VAL HG11 1 1 1 461 1 1 29 VAL HG12 H 10.795 -3.955 2.850 1.00 . A A . 29 VAL HG12 1 1 1 462 1 1 29 VAL HG13 H 9.455 -3.008 3.541 1.00 . A A . 29 VAL HG13 1 1 1 463 1 1 29 VAL HG21 H 13.059 -1.563 2.049 1.00 . A A . 29 VAL HG21 1 1 1 464 1 1 29 VAL HG22 H 13.318 -2.207 3.688 1.00 . A A . 29 VAL HG22 1 1 1 465 1 1 29 VAL HG23 H 12.698 -3.270 2.401 1.00 . A A . 29 VAL HG23 1 1 1 466 1 1 29 VAL N N 11.890 0.432 2.683 1.00 . A A . 29 VAL N 1 1 1 467 1 1 29 VAL O O 8.522 -0.711 3.113 1.00 . A A . 29 VAL O 1 1 1 468 1 1 30 ALA C C 7.472 2.337 2.818 1.00 . A A . 30 ALA C 1 1 1 469 1 1 30 ALA CA C 8.391 1.929 3.972 1.00 . A A . 30 ALA CA 1 1 1 470 1 1 30 ALA CB C 8.821 3.124 4.826 1.00 . A A . 30 ALA CB 1 1 1 471 1 1 30 ALA H H 10.388 1.838 3.386 1.00 . A A . 30 ALA H 1 1 1 472 1 1 30 ALA HA H 7.868 1.214 4.607 1.00 . A A . 30 ALA HA 1 1 1 473 1 1 30 ALA HB1 H 9.907 3.138 4.911 1.00 . A A . 30 ALA HB1 1 1 1 474 1 1 30 ALA HB2 H 8.481 4.047 4.356 1.00 . A A . 30 ALA HB2 1 1 1 475 1 1 30 ALA HB3 H 8.380 3.038 5.819 1.00 . A A . 30 ALA HB3 1 1 1 476 1 1 30 ALA N N 9.569 1.267 3.437 1.00 . A A . 30 ALA N 1 1 1 477 1 1 30 ALA O O 6.487 1.658 2.535 1.00 . A A . 30 ALA O 1 1 1 478 1 1 31 LEU C C 6.808 2.821 0.065 1.00 . A A . 31 LEU C 1 1 1 479 1 1 31 LEU CA C 7.048 3.951 1.068 1.00 . A A . 31 LEU CA 1 1 1 480 1 1 31 LEU CB C 7.722 5.182 0.458 1.00 . A A . 31 LEU CB 1 1 1 481 1 1 31 LEU CD1 C 9.620 5.088 -1.200 1.00 . A A . 31 LEU CD1 1 1 1 482 1 1 31 LEU CD2 C 9.943 6.221 1.047 1.00 . A A . 31 LEU CD2 1 1 1 483 1 1 31 LEU CG C 9.239 5.098 0.282 1.00 . A A . 31 LEU CG 1 1 1 484 1 1 31 LEU H H 8.631 3.991 2.421 1.00 . A A . 31 LEU H 1 1 1 485 1 1 31 LEU HA H 6.084 4.274 1.462 1.00 . A A . 31 LEU HA 1 1 1 486 1 1 31 LEU HB2 H 7.273 5.372 -0.517 1.00 . A A . 31 LEU HB2 1 1 1 487 1 1 31 LEU HB3 H 7.496 6.044 1.087 1.00 . A A . 31 LEU HB3 1 1 1 488 1 1 31 LEU HD11 H 9.320 6.030 -1.658 1.00 . A A . 31 LEU HD11 1 1 1 489 1 1 31 LEU HD12 H 10.698 4.963 -1.297 1.00 . A A . 31 LEU HD12 1 1 1 490 1 1 31 LEU HD13 H 9.112 4.263 -1.699 1.00 . A A . 31 LEU HD13 1 1 1 491 1 1 31 LEU HD21 H 11.022 6.081 0.987 1.00 . A A . 31 LEU HD21 1 1 1 492 1 1 31 LEU HD22 H 9.677 7.182 0.607 1.00 . A A . 31 LEU HD22 1 1 1 493 1 1 31 LEU HD23 H 9.631 6.201 2.091 1.00 . A A . 31 LEU HD23 1 1 1 494 1 1 31 LEU HG H 9.581 4.155 0.709 1.00 . A A . 31 LEU HG 1 1 1 495 1 1 31 LEU N N 7.828 3.445 2.184 1.00 . A A . 31 LEU N 1 1 1 496 1 1 31 LEU O O 5.666 2.533 -0.290 1.00 . A A . 31 LEU O 1 1 1 497 1 1 32 GLY C C 9.224 0.668 -1.750 1.00 . A A . 32 GLY C 1 1 1 498 1 1 32 GLY CA C 7.826 1.120 -1.321 1.00 . A A . 32 GLY CA 1 1 1 499 1 1 32 GLY H H 8.829 2.453 -0.072 1.00 . A A . 32 GLY H 1 1 1 500 1 1 32 GLY HA2 H 7.289 0.282 -0.878 1.00 . A A . 32 GLY HA2 1 1 1 501 1 1 32 GLY HA3 H 7.258 1.437 -2.195 1.00 . A A . 32 GLY HA3 1 1 1 502 1 1 32 GLY N N 7.903 2.212 -0.365 1.00 . A A . 32 GLY N 1 1 1 503 1 1 32 GLY O O 10.126 0.557 -0.922 1.00 . A A . 32 GLY O 1 1 2 504 1 1 1 TYR C C -5.137 -7.451 -16.014 1.00 . A A . 1 TYR C 1 1 2 505 1 1 1 TYR CA C -4.700 -7.680 -17.462 1.00 . A A . 1 TYR CA 1 1 2 506 1 1 1 TYR CB C -4.543 -6.324 -18.155 1.00 . A A . 1 TYR CB 1 1 2 507 1 1 1 TYR CD1 C -2.081 -6.265 -17.616 1.00 . A A . 1 TYR CD1 1 1 2 508 1 1 1 TYR CD2 C -3.298 -4.208 -17.584 1.00 . A A . 1 TYR CD2 1 1 2 509 1 1 1 TYR CE1 C -0.878 -5.559 -17.257 1.00 . A A . 1 TYR CE1 1 1 2 510 1 1 1 TYR CE2 C -2.096 -3.502 -17.224 1.00 . A A . 1 TYR CE2 1 1 2 511 1 1 1 TYR CG C -3.266 -5.574 -17.773 1.00 . A A . 1 TYR CG 1 1 2 512 1 1 1 TYR CZ C -0.945 -4.212 -17.079 1.00 . A A . 1 TYR CZ 1 1 2 513 1 1 1 TYR H1 H -6.538 -7.859 -18.426 1.00 . A A . 1 TYR H1 1 1 2 514 1 1 1 TYR HA H -3.794 -8.285 -17.469 1.00 . A A . 1 TYR HA 1 1 2 515 1 1 1 TYR HB2 H -4.554 -6.476 -19.234 1.00 . A A . 1 TYR HB2 1 1 2 516 1 1 1 TYR HB3 H -5.404 -5.702 -17.912 1.00 . A A . 1 TYR HB3 1 1 2 517 1 1 1 TYR HD1 H -2.055 -7.344 -17.765 1.00 . A A . 1 TYR HD1 1 1 2 518 1 1 1 TYR HD2 H -4.234 -3.663 -17.708 1.00 . A A . 1 TYR HD2 1 1 2 519 1 1 1 TYR HE1 H 0.064 -6.092 -17.130 1.00 . A A . 1 TYR HE1 1 1 2 520 1 1 1 TYR HE2 H -2.107 -2.422 -17.073 1.00 . A A . 1 TYR HE2 1 1 2 521 1 1 1 TYR HH H 0.862 -4.183 -16.361 1.00 . A A . 1 TYR HH 1 1 2 522 1 1 1 TYR N N -5.722 -8.395 -18.207 1.00 . A A . 1 TYR N 1 1 2 523 1 1 1 TYR O O -6.034 -6.651 -15.751 1.00 . A A . 1 TYR O 1 1 2 524 1 1 1 TYR OH O 0.191 -3.545 -16.739 1.00 . A A . 1 TYR OH 1 1 2 525 1 1 2 ALA C C -3.489 -7.989 -12.898 1.00 . A A . 2 ALA C 1 1 2 526 1 1 2 ALA CA C -4.792 -8.053 -13.697 1.00 . A A . 2 ALA CA 1 1 2 527 1 1 2 ALA CB C -5.680 -9.224 -13.271 1.00 . A A . 2 ALA CB 1 1 2 528 1 1 2 ALA H H -3.754 -8.816 -15.334 1.00 . A A . 2 ALA H 1 1 2 529 1 1 2 ALA HA H -5.343 -7.124 -13.552 1.00 . A A . 2 ALA HA 1 1 2 530 1 1 2 ALA HB1 H -5.675 -9.308 -12.185 1.00 . A A . 2 ALA HB1 1 1 2 531 1 1 2 ALA HB2 H -6.699 -9.051 -13.618 1.00 . A A . 2 ALA HB2 1 1 2 532 1 1 2 ALA HB3 H -5.299 -10.146 -13.709 1.00 . A A . 2 ALA HB3 1 1 2 533 1 1 2 ALA N N -4.483 -8.168 -15.112 1.00 . A A . 2 ALA N 1 1 2 534 1 1 2 ALA O O -3.124 -8.949 -12.222 1.00 . A A . 2 ALA O 1 1 2 535 1 1 3 PHE C C -1.729 -5.617 -11.176 1.00 . A A . 3 PHE C 1 1 2 536 1 1 3 PHE CA C -1.569 -6.646 -12.297 1.00 . A A . 3 PHE CA 1 1 2 537 1 1 3 PHE CB C -0.562 -6.116 -13.319 1.00 . A A . 3 PHE CB 1 1 2 538 1 1 3 PHE CD1 C -1.633 -4.077 -14.301 1.00 . A A . 3 PHE CD1 1 1 2 539 1 1 3 PHE CD2 C 0.294 -3.788 -12.976 1.00 . A A . 3 PHE CD2 1 1 2 540 1 1 3 PHE CE1 C -1.702 -2.673 -14.506 1.00 . A A . 3 PHE CE1 1 1 2 541 1 1 3 PHE CE2 C 0.225 -2.385 -13.181 1.00 . A A . 3 PHE CE2 1 1 2 542 1 1 3 PHE CG C -0.636 -4.604 -13.540 1.00 . A A . 3 PHE CG 1 1 2 543 1 1 3 PHE CZ C -0.771 -1.857 -13.942 1.00 . A A . 3 PHE CZ 1 1 2 544 1 1 3 PHE H H -3.128 -6.071 -13.553 1.00 . A A . 3 PHE H 1 1 2 545 1 1 3 PHE HA H -1.281 -7.606 -11.868 1.00 . A A . 3 PHE HA 1 1 2 546 1 1 3 PHE HB2 H 0.444 -6.376 -12.991 1.00 . A A . 3 PHE HB2 1 1 2 547 1 1 3 PHE HB3 H -0.727 -6.621 -14.271 1.00 . A A . 3 PHE HB3 1 1 2 548 1 1 3 PHE HD1 H -2.378 -4.731 -14.753 1.00 . A A . 3 PHE HD1 1 1 2 549 1 1 3 PHE HD2 H 1.092 -4.211 -12.367 1.00 . A A . 3 PHE HD2 1 1 2 550 1 1 3 PHE HE1 H -2.500 -2.250 -15.116 1.00 . A A . 3 PHE HE1 1 1 2 551 1 1 3 PHE HE2 H 0.970 -1.730 -12.729 1.00 . A A . 3 PHE HE2 1 1 2 552 1 1 3 PHE HZ H -0.824 -0.780 -14.100 1.00 . A A . 3 PHE HZ 1 1 2 553 1 1 3 PHE N N -2.824 -6.848 -13.001 1.00 . A A . 3 PHE N 1 1 2 554 1 1 3 PHE O O -0.795 -5.373 -10.414 1.00 . A A . 3 PHE O 1 1 2 555 1 1 4 ALA C C -4.550 -3.371 -10.419 1.00 . A A . 4 ALA C 1 1 2 556 1 1 4 ALA CA C -3.215 -4.044 -10.095 1.00 . A A . 4 ALA CA 1 1 2 557 1 1 4 ALA CB C -2.062 -3.041 -10.015 1.00 . A A . 4 ALA CB 1 1 2 558 1 1 4 ALA H H -3.675 -5.245 -11.734 1.00 . A A . 4 ALA H 1 1 2 559 1 1 4 ALA HA H -3.299 -4.559 -9.139 1.00 . A A . 4 ALA HA 1 1 2 560 1 1 4 ALA HB1 H -1.508 -3.048 -10.954 1.00 . A A . 4 ALA HB1 1 1 2 561 1 1 4 ALA HB2 H -2.460 -2.043 -9.835 1.00 . A A . 4 ALA HB2 1 1 2 562 1 1 4 ALA HB3 H -1.395 -3.319 -9.198 1.00 . A A . 4 ALA HB3 1 1 2 563 1 1 4 ALA N N -2.920 -5.041 -11.110 1.00 . A A . 4 ALA N 1 1 2 564 1 1 4 ALA O O -5.266 -2.938 -9.518 1.00 . A A . 4 ALA O 1 1 2 565 1 1 5 CYS C C -7.236 -3.270 -11.339 1.00 . A A . 5 CYS C 1 1 2 566 1 1 5 CYS CA C -6.083 -2.694 -12.163 1.00 . A A . 5 CYS CA 1 1 2 567 1 1 5 CYS CB C -6.297 -2.898 -13.665 1.00 . A A . 5 CYS CB 1 1 2 568 1 1 5 CYS H H -4.259 -3.661 -12.436 1.00 . A A . 5 CYS H 1 1 2 569 1 1 5 CYS HA H -5.983 -1.622 -11.992 1.00 . A A . 5 CYS HA 1 1 2 570 1 1 5 CYS HB2 H -5.593 -3.638 -14.044 1.00 . A A . 5 CYS HB2 1 1 2 571 1 1 5 CYS HB3 H -7.299 -3.287 -13.848 1.00 . A A . 5 CYS HB3 1 1 2 572 1 1 5 CYS HG H -4.995 -1.686 -15.233 1.00 . A A . 5 CYS HG 1 1 2 573 1 1 5 CYS N N -4.846 -3.306 -11.709 1.00 . A A . 5 CYS N 1 1 2 574 1 1 5 CYS O O -7.957 -2.531 -10.671 1.00 . A A . 5 CYS O 1 1 2 575 1 1 5 CYS SG S -6.073 -1.312 -14.550 1.00 . A A . 5 CYS SG 1 1 2 576 1 1 6 PRO C C -8.096 -5.389 -9.192 1.00 . A A . 6 PRO C 1 1 2 577 1 1 6 PRO CA C -8.429 -5.306 -10.683 1.00 . A A . 6 PRO CA 1 1 2 578 1 1 6 PRO CB C -8.544 -6.670 -11.343 1.00 . A A . 6 PRO CB 1 1 2 579 1 1 6 PRO CD C -6.541 -5.529 -12.195 1.00 . A A . 6 PRO CD 1 1 2 580 1 1 6 PRO CG C -7.247 -6.872 -12.109 1.00 . A A . 6 PRO CG 1 1 2 581 1 1 6 PRO HA H -9.285 -4.791 -10.743 1.00 . A A . 6 PRO HA 1 1 2 582 1 1 6 PRO HB2 H -8.684 -7.453 -10.599 1.00 . A A . 6 PRO HB2 1 1 2 583 1 1 6 PRO HB3 H -9.403 -6.709 -12.013 1.00 . A A . 6 PRO HB3 1 1 2 584 1 1 6 PRO HD2 H -5.531 -5.585 -11.789 1.00 . A A . 6 PRO HD2 1 1 2 585 1 1 6 PRO HD3 H -6.451 -5.194 -13.228 1.00 . A A . 6 PRO HD3 1 1 2 586 1 1 6 PRO HG2 H -6.615 -7.604 -11.605 1.00 . A A . 6 PRO HG2 1 1 2 587 1 1 6 PRO HG3 H -7.449 -7.261 -13.107 1.00 . A A . 6 PRO HG3 1 1 2 588 1 1 6 PRO N N -7.377 -4.621 -11.414 1.00 . A A . 6 PRO N 1 1 2 589 1 1 6 PRO O O -8.656 -4.649 -8.385 1.00 . A A . 6 PRO O 1 1 2 590 1 1 7 ALA C C -6.520 -5.121 -6.847 1.00 . A A . 7 ALA C 1 1 2 591 1 1 7 ALA CA C -6.770 -6.486 -7.492 1.00 . A A . 7 ALA CA 1 1 2 592 1 1 7 ALA CB C -5.534 -7.386 -7.450 1.00 . A A . 7 ALA CB 1 1 2 593 1 1 7 ALA H H -6.734 -6.894 -9.535 1.00 . A A . 7 ALA H 1 1 2 594 1 1 7 ALA HA H -7.585 -6.984 -6.966 1.00 . A A . 7 ALA HA 1 1 2 595 1 1 7 ALA HB1 H -4.818 -6.987 -6.731 1.00 . A A . 7 ALA HB1 1 1 2 596 1 1 7 ALA HB2 H -5.827 -8.392 -7.149 1.00 . A A . 7 ALA HB2 1 1 2 597 1 1 7 ALA HB3 H -5.076 -7.421 -8.438 1.00 . A A . 7 ALA HB3 1 1 2 598 1 1 7 ALA N N -7.185 -6.296 -8.872 1.00 . A A . 7 ALA N 1 1 2 599 1 1 7 ALA O O -6.473 -4.104 -7.537 1.00 . A A . 7 ALA O 1 1 2 600 1 1 8 CYS C C -7.384 -3.057 -4.854 1.00 . A A . 8 CYS C 1 1 2 601 1 1 8 CYS CA C -6.123 -3.921 -4.785 1.00 . A A . 8 CYS CA 1 1 2 602 1 1 8 CYS CB C -4.892 -3.177 -5.306 1.00 . A A . 8 CYS CB 1 1 2 603 1 1 8 CYS H H -6.407 -5.976 -4.978 1.00 . A A . 8 CYS H 1 1 2 604 1 1 8 CYS HA H -5.913 -4.218 -3.758 1.00 . A A . 8 CYS HA 1 1 2 605 1 1 8 CYS HB2 H -4.716 -3.433 -6.350 1.00 . A A . 8 CYS HB2 1 1 2 606 1 1 8 CYS HB3 H -5.063 -2.101 -5.266 1.00 . A A . 8 CYS HB3 1 1 2 607 1 1 8 CYS HG H -2.548 -2.935 -5.035 1.00 . A A . 8 CYS HG 1 1 2 608 1 1 8 CYS N N -6.367 -5.144 -5.531 1.00 . A A . 8 CYS N 1 1 2 609 1 1 8 CYS O O -7.564 -2.289 -5.799 1.00 . A A . 8 CYS O 1 1 2 610 1 1 8 CYS SG S -3.426 -3.613 -4.301 1.00 . A A . 8 CYS SG 1 1 2 611 1 1 9 PRO C C -9.219 -1.004 -3.353 1.00 . A A . 9 PRO C 1 1 2 612 1 1 9 PRO CA C -9.485 -2.457 -3.749 1.00 . A A . 9 PRO CA 1 1 2 613 1 1 9 PRO CB C -10.347 -3.200 -2.741 1.00 . A A . 9 PRO CB 1 1 2 614 1 1 9 PRO CD C -8.067 -4.114 -2.679 1.00 . A A . 9 PRO CD 1 1 2 615 1 1 9 PRO CG C -9.393 -4.070 -1.938 1.00 . A A . 9 PRO CG 1 1 2 616 1 1 9 PRO HA H -9.918 -2.420 -4.650 1.00 . A A . 9 PRO HA 1 1 2 617 1 1 9 PRO HB2 H -10.878 -2.503 -2.093 1.00 . A A . 9 PRO HB2 1 1 2 618 1 1 9 PRO HB3 H -11.100 -3.807 -3.242 1.00 . A A . 9 PRO HB3 1 1 2 619 1 1 9 PRO HD2 H -7.245 -3.787 -2.042 1.00 . A A . 9 PRO HD2 1 1 2 620 1 1 9 PRO HD3 H -7.830 -5.126 -3.009 1.00 . A A . 9 PRO HD3 1 1 2 621 1 1 9 PRO HG2 H -9.257 -3.664 -0.936 1.00 . A A . 9 PRO HG2 1 1 2 622 1 1 9 PRO HG3 H -9.799 -5.075 -1.822 1.00 . A A . 9 PRO HG3 1 1 2 623 1 1 9 PRO N N -8.247 -3.214 -3.815 1.00 . A A . 9 PRO N 1 1 2 624 1 1 9 PRO O O -8.086 -0.532 -3.435 1.00 . A A . 9 PRO O 1 1 2 625 1 1 10 LYS C C -10.151 1.132 -0.994 1.00 . A A . 10 LYS C 1 1 2 626 1 1 10 LYS CA C -10.178 1.056 -2.522 1.00 . A A . 10 LYS CA 1 1 2 627 1 1 10 LYS CB C -11.292 1.887 -3.160 1.00 . A A . 10 LYS CB 1 1 2 628 1 1 10 LYS CD C -11.573 4.347 -3.638 1.00 . A A . 10 LYS CD 1 1 2 629 1 1 10 LYS CE C -12.301 4.782 -4.911 1.00 . A A . 10 LYS CE 1 1 2 630 1 1 10 LYS CG C -10.719 3.103 -3.891 1.00 . A A . 10 LYS CG 1 1 2 631 1 1 10 LYS H H -11.200 -0.726 -2.868 1.00 . A A . 10 LYS H 1 1 2 632 1 1 10 LYS HA H -9.231 1.438 -2.904 1.00 . A A . 10 LYS HA 1 1 2 633 1 1 10 LYS HB2 H -11.857 1.271 -3.860 1.00 . A A . 10 LYS HB2 1 1 2 634 1 1 10 LYS HB3 H -11.991 2.216 -2.391 1.00 . A A . 10 LYS HB3 1 1 2 635 1 1 10 LYS HD2 H -12.299 4.141 -2.852 1.00 . A A . 10 LYS HD2 1 1 2 636 1 1 10 LYS HD3 H -10.940 5.160 -3.281 1.00 . A A . 10 LYS HD3 1 1 2 637 1 1 10 LYS HE2 H -11.590 4.862 -5.734 1.00 . A A . 10 LYS HE2 1 1 2 638 1 1 10 LYS HE3 H -13.033 4.025 -5.195 1.00 . A A . 10 LYS HE3 1 1 2 639 1 1 10 LYS HG2 H -9.698 3.284 -3.557 1.00 . A A . 10 LYS HG2 1 1 2 640 1 1 10 LYS HG3 H -10.674 2.901 -4.961 1.00 . A A . 10 LYS HG3 1 1 2 641 1 1 10 LYS HZ1 H -12.755 6.432 -3.794 1.00 . A A . 10 LYS HZ1 1 1 2 642 1 1 10 LYS HZ2 H -12.668 6.733 -5.397 1.00 . A A . 10 LYS HZ2 1 1 2 643 1 1 10 LYS HZ3 H -13.967 5.958 -4.781 1.00 . A A . 10 LYS HZ3 1 1 2 644 1 1 10 LYS N N -10.282 -0.335 -2.932 1.00 . A A . 10 LYS N 1 1 2 645 1 1 10 LYS NZ N -12.977 6.082 -4.704 1.00 . A A . 10 LYS NZ 1 1 2 646 1 1 10 LYS O O -10.123 2.222 -0.424 1.00 . A A . 10 LYS O 1 1 2 647 1 1 11 ARG C C -8.757 -0.560 1.562 1.00 . A A . 11 ARG C 1 1 2 648 1 1 11 ARG CA C -10.138 -0.118 1.076 1.00 . A A . 11 ARG CA 1 1 2 649 1 1 11 ARG CB C -11.191 -1.102 1.591 1.00 . A A . 11 ARG CB 1 1 2 650 1 1 11 ARG CD C -13.331 -2.206 0.840 1.00 . A A . 11 ARG CD 1 1 2 651 1 1 11 ARG CG C -12.525 -0.905 0.867 1.00 . A A . 11 ARG CG 1 1 2 652 1 1 11 ARG CZ C -12.803 -4.615 0.486 1.00 . A A . 11 ARG CZ 1 1 2 653 1 1 11 ARG H H -10.184 -0.921 -0.846 1.00 . A A . 11 ARG H 1 1 2 654 1 1 11 ARG HA H -10.368 0.892 1.414 1.00 . A A . 11 ARG HA 1 1 2 655 1 1 11 ARG HB2 H -10.841 -2.124 1.445 1.00 . A A . 11 ARG HB2 1 1 2 656 1 1 11 ARG HB3 H -11.331 -0.963 2.662 1.00 . A A . 11 ARG HB3 1 1 2 657 1 1 11 ARG HD2 H -13.716 -2.425 1.835 1.00 . A A . 11 ARG HD2 1 1 2 658 1 1 11 ARG HD3 H -14.192 -2.096 0.181 1.00 . A A . 11 ARG HD3 1 1 2 659 1 1 11 ARG HE H -11.601 -3.094 -0.054 1.00 . A A . 11 ARG HE 1 1 2 660 1 1 11 ARG HG2 H -13.102 -0.126 1.365 1.00 . A A . 11 ARG HG2 1 1 2 661 1 1 11 ARG HG3 H -12.343 -0.565 -0.153 1.00 . A A . 11 ARG HG3 1 1 2 662 1 1 11 ARG HH11 H -14.590 -4.262 1.389 1.00 . A A . 11 ARG HH11 1 1 2 663 1 1 11 ARG HH12 H -14.209 -5.933 1.136 1.00 . A A . 11 ARG HH12 1 1 2 664 1 1 11 ARG HH21 H -11.098 -5.298 -0.388 1.00 . A A . 11 ARG HH21 1 1 2 665 1 1 11 ARG HH22 H -12.209 -6.526 0.119 1.00 . A A . 11 ARG HH22 1 1 2 666 1 1 11 ARG N N -10.161 -0.039 -0.375 1.00 . A A . 11 ARG N 1 1 2 667 1 1 11 ARG NE N -12.477 -3.321 0.373 1.00 . A A . 11 ARG NE 1 1 2 668 1 1 11 ARG NH1 N -13.966 -4.966 1.052 1.00 . A A . 11 ARG NH1 1 1 2 669 1 1 11 ARG NH2 N -11.966 -5.559 0.034 1.00 . A A . 11 ARG NH2 1 1 2 670 1 1 11 ARG O O -8.281 -0.097 2.598 1.00 . A A . 11 ARG O 1 1 2 671 1 1 12 PHE C C -5.766 -0.876 0.966 1.00 . A A . 12 PHE C 1 1 2 672 1 1 12 PHE CA C -6.833 -1.961 1.130 1.00 . A A . 12 PHE CA 1 1 2 673 1 1 12 PHE CB C -6.533 -3.105 0.159 1.00 . A A . 12 PHE CB 1 1 2 674 1 1 12 PHE CD1 C -5.716 -4.739 1.873 1.00 . A A . 12 PHE CD1 1 1 2 675 1 1 12 PHE CD2 C -4.388 -4.382 -0.040 1.00 . A A . 12 PHE CD2 1 1 2 676 1 1 12 PHE CE1 C -4.765 -5.674 2.359 1.00 . A A . 12 PHE CE1 1 1 2 677 1 1 12 PHE CE2 C -3.437 -5.318 0.447 1.00 . A A . 12 PHE CE2 1 1 2 678 1 1 12 PHE CG C -5.508 -4.113 0.683 1.00 . A A . 12 PHE CG 1 1 2 679 1 1 12 PHE CZ C -3.645 -5.944 1.636 1.00 . A A . 12 PHE CZ 1 1 2 680 1 1 12 PHE H H -8.544 -1.823 -0.050 1.00 . A A . 12 PHE H 1 1 2 681 1 1 12 PHE HA H -6.867 -2.280 2.172 1.00 . A A . 12 PHE HA 1 1 2 682 1 1 12 PHE HB2 H -7.461 -3.630 -0.066 1.00 . A A . 12 PHE HB2 1 1 2 683 1 1 12 PHE HB3 H -6.168 -2.686 -0.779 1.00 . A A . 12 PHE HB3 1 1 2 684 1 1 12 PHE HD1 H -6.614 -4.523 2.452 1.00 . A A . 12 PHE HD1 1 1 2 685 1 1 12 PHE HD2 H -4.221 -3.880 -0.993 1.00 . A A . 12 PHE HD2 1 1 2 686 1 1 12 PHE HE1 H -4.932 -6.176 3.312 1.00 . A A . 12 PHE HE1 1 1 2 687 1 1 12 PHE HE2 H -2.539 -5.534 -0.133 1.00 . A A . 12 PHE HE2 1 1 2 688 1 1 12 PHE HZ H -2.915 -6.662 2.009 1.00 . A A . 12 PHE HZ 1 1 2 689 1 1 12 PHE N N -8.151 -1.451 0.791 1.00 . A A . 12 PHE N 1 1 2 690 1 1 12 PHE O O -4.884 -0.735 1.811 1.00 . A A . 12 PHE O 1 1 2 691 1 1 13 MET C C -4.738 1.826 0.811 1.00 . A A . 13 MET C 1 1 2 692 1 1 13 MET CA C -4.940 0.931 -0.413 1.00 . A A . 13 MET CA 1 1 2 693 1 1 13 MET CB C -5.459 1.772 -1.581 1.00 . A A . 13 MET CB 1 1 2 694 1 1 13 MET CE C -6.835 4.568 -0.949 1.00 . A A . 13 MET CE 1 1 2 695 1 1 13 MET CG C -6.983 1.900 -1.529 1.00 . A A . 13 MET CG 1 1 2 696 1 1 13 MET H H -6.603 -0.258 -0.810 1.00 . A A . 13 MET H 1 1 2 697 1 1 13 MET HA H -4.003 0.434 -0.667 1.00 . A A . 13 MET HA 1 1 2 698 1 1 13 MET HB2 H -5.006 2.763 -1.549 1.00 . A A . 13 MET HB2 1 1 2 699 1 1 13 MET HB3 H -5.160 1.315 -2.524 1.00 . A A . 13 MET HB3 1 1 2 700 1 1 13 MET HE1 H -7.202 4.259 0.029 1.00 . A A . 13 MET HE1 1 1 2 701 1 1 13 MET HE2 H -5.746 4.524 -0.959 1.00 . A A . 13 MET HE2 1 1 2 702 1 1 13 MET HE3 H -7.160 5.589 -1.154 1.00 . A A . 13 MET HE3 1 1 2 703 1 1 13 MET HG2 H -7.443 1.090 -2.095 1.00 . A A . 13 MET HG2 1 1 2 704 1 1 13 MET HG3 H -7.329 1.807 -0.500 1.00 . A A . 13 MET HG3 1 1 2 705 1 1 13 MET N N -5.883 -0.137 -0.128 1.00 . A A . 13 MET N 1 1 2 706 1 1 13 MET O O -3.716 2.501 0.929 1.00 . A A . 13 MET O 1 1 2 707 1 1 13 MET SD S -7.486 3.475 -2.201 1.00 . A A . 13 MET SD 1 1 2 708 1 1 14 ARG C C -4.852 1.884 3.977 1.00 . A A . 14 ARG C 1 1 2 709 1 1 14 ARG CA C -5.671 2.603 2.903 1.00 . A A . 14 ARG CA 1 1 2 710 1 1 14 ARG CB C -7.075 2.883 3.444 1.00 . A A . 14 ARG CB 1 1 2 711 1 1 14 ARG CD C -9.471 3.341 2.804 1.00 . A A . 14 ARG CD 1 1 2 712 1 1 14 ARG CG C -8.020 3.312 2.320 1.00 . A A . 14 ARG CG 1 1 2 713 1 1 14 ARG CZ C -11.574 4.463 2.078 1.00 . A A . 14 ARG CZ 1 1 2 714 1 1 14 ARG H H -6.555 1.250 1.588 1.00 . A A . 14 ARG H 1 1 2 715 1 1 14 ARG HA H -5.191 3.533 2.600 1.00 . A A . 14 ARG HA 1 1 2 716 1 1 14 ARG HB2 H -7.466 1.989 3.931 1.00 . A A . 14 ARG HB2 1 1 2 717 1 1 14 ARG HB3 H -7.027 3.664 4.202 1.00 . A A . 14 ARG HB3 1 1 2 718 1 1 14 ARG HD2 H -9.844 2.324 2.921 1.00 . A A . 14 ARG HD2 1 1 2 719 1 1 14 ARG HD3 H -9.526 3.816 3.784 1.00 . A A . 14 ARG HD3 1 1 2 720 1 1 14 ARG HE H -9.916 4.307 0.948 1.00 . A A . 14 ARG HE 1 1 2 721 1 1 14 ARG HG2 H -7.734 4.300 1.957 1.00 . A A . 14 ARG HG2 1 1 2 722 1 1 14 ARG HG3 H -7.927 2.624 1.479 1.00 . A A . 14 ARG HG3 1 1 2 723 1 1 14 ARG HH11 H -11.633 3.683 3.955 1.00 . A A . 14 ARG HH11 1 1 2 724 1 1 14 ARG HH12 H -13.088 4.466 3.436 1.00 . A A . 14 ARG HH12 1 1 2 725 1 1 14 ARG HH21 H -11.835 5.341 0.262 1.00 . A A . 14 ARG HH21 1 1 2 726 1 1 14 ARG HH22 H -13.204 5.415 1.321 1.00 . A A . 14 ARG HH22 1 1 2 727 1 1 14 ARG N N -5.727 1.802 1.692 1.00 . A A . 14 ARG N 1 1 2 728 1 1 14 ARG NE N -10.313 4.080 1.837 1.00 . A A . 14 ARG NE 1 1 2 729 1 1 14 ARG NH1 N -12.147 4.180 3.256 1.00 . A A . 14 ARG NH1 1 1 2 730 1 1 14 ARG NH2 N -12.263 5.130 1.141 1.00 . A A . 14 ARG NH2 1 1 2 731 1 1 14 ARG O O -3.955 2.474 4.576 1.00 . A A . 14 ARG O 1 1 2 732 1 1 15 SER C C -3.014 -0.290 4.823 1.00 . A A . 15 SER C 1 1 2 733 1 1 15 SER CA C -4.499 -0.185 5.179 1.00 . A A . 15 SER CA 1 1 2 734 1 1 15 SER CB C -5.119 -1.579 5.287 1.00 . A A . 15 SER CB 1 1 2 735 1 1 15 SER H H -5.923 0.148 3.696 1.00 . A A . 15 SER H 1 1 2 736 1 1 15 SER HA H -4.629 0.345 6.123 1.00 . A A . 15 SER HA 1 1 2 737 1 1 15 SER HB2 H -5.965 -1.653 4.603 1.00 . A A . 15 SER HB2 1 1 2 738 1 1 15 SER HB3 H -4.389 -2.326 4.974 1.00 . A A . 15 SER HB3 1 1 2 739 1 1 15 SER HG H -5.189 -2.751 6.908 1.00 . A A . 15 SER HG 1 1 2 740 1 1 15 SER N N -5.191 0.621 4.188 1.00 . A A . 15 SER N 1 1 2 741 1 1 15 SER O O -2.201 -0.696 5.652 1.00 . A A . 15 SER O 1 1 2 742 1 1 15 SER OG O -5.554 -1.868 6.613 1.00 . A A . 15 SER OG 1 1 2 743 1 1 16 ASP C C -0.785 1.458 3.012 1.00 . A A . 16 ASP C 1 1 2 744 1 1 16 ASP CA C -1.334 0.034 3.114 1.00 . A A . 16 ASP CA 1 1 2 745 1 1 16 ASP CB C -1.255 -0.604 1.725 1.00 . A A . 16 ASP CB 1 1 2 746 1 1 16 ASP CG C -0.761 -2.052 1.706 1.00 . A A . 16 ASP CG 1 1 2 747 1 1 16 ASP H H -3.374 0.411 2.921 1.00 . A A . 16 ASP H 1 1 2 748 1 1 16 ASP HA H -0.798 -0.569 3.846 1.00 . A A . 16 ASP HA 1 1 2 749 1 1 16 ASP HB2 H -2.243 -0.567 1.268 1.00 . A A . 16 ASP HB2 1 1 2 750 1 1 16 ASP HB3 H -0.593 -0.001 1.103 1.00 . A A . 16 ASP HB3 1 1 2 751 1 1 16 ASP N N -2.706 0.082 3.589 1.00 . A A . 16 ASP N 1 1 2 752 1 1 16 ASP O O 0.429 1.660 2.996 1.00 . A A . 16 ASP O 1 1 2 753 1 1 16 ASP OD1 O -1.179 -2.805 2.612 1.00 . A A . 16 ASP OD1 1 1 2 754 1 1 16 ASP OD2 O 0.023 -2.372 0.787 1.00 . A A . 16 ASP OD2 1 1 2 755 1 1 17 ALA C C -1.141 4.385 4.252 1.00 . A A . 17 ALA C 1 1 2 756 1 1 17 ALA CA C -1.326 3.810 2.847 1.00 . A A . 17 ALA CA 1 1 2 757 1 1 17 ALA CB C -2.384 4.568 2.041 1.00 . A A . 17 ALA CB 1 1 2 758 1 1 17 ALA H H -2.689 2.238 2.960 1.00 . A A . 17 ALA H 1 1 2 759 1 1 17 ALA HA H -0.377 3.860 2.314 1.00 . A A . 17 ALA HA 1 1 2 760 1 1 17 ALA HB1 H -2.365 4.228 1.006 1.00 . A A . 17 ALA HB1 1 1 2 761 1 1 17 ALA HB2 H -3.369 4.379 2.468 1.00 . A A . 17 ALA HB2 1 1 2 762 1 1 17 ALA HB3 H -2.171 5.636 2.077 1.00 . A A . 17 ALA HB3 1 1 2 763 1 1 17 ALA N N -1.704 2.410 2.946 1.00 . A A . 17 ALA N 1 1 2 764 1 1 17 ALA O O -1.233 5.596 4.449 1.00 . A A . 17 ALA O 1 1 2 765 1 1 18 LEU C C 0.150 2.831 7.297 1.00 . A A . 18 LEU C 1 1 2 766 1 1 18 LEU CA C -0.682 3.893 6.575 1.00 . A A . 18 LEU CA 1 1 2 767 1 1 18 LEU CB C -2.025 4.183 7.248 1.00 . A A . 18 LEU CB 1 1 2 768 1 1 18 LEU CD1 C -2.383 1.687 7.271 1.00 . A A . 18 LEU CD1 1 1 2 769 1 1 18 LEU CD2 C -2.248 2.976 9.451 1.00 . A A . 18 LEU CD2 1 1 2 770 1 1 18 LEU CG C -2.676 3.009 7.983 1.00 . A A . 18 LEU CG 1 1 2 771 1 1 18 LEU H H -0.808 2.506 5.026 1.00 . A A . 18 LEU H 1 1 2 772 1 1 18 LEU HA H -0.119 4.825 6.565 1.00 . A A . 18 LEU HA 1 1 2 773 1 1 18 LEU HB2 H -1.885 4.998 7.959 1.00 . A A . 18 LEU HB2 1 1 2 774 1 1 18 LEU HB3 H -2.720 4.540 6.488 1.00 . A A . 18 LEU HB3 1 1 2 775 1 1 18 LEU HD11 H -3.246 1.028 7.359 1.00 . A A . 18 LEU HD11 1 1 2 776 1 1 18 LEU HD12 H -2.178 1.879 6.217 1.00 . A A . 18 LEU HD12 1 1 2 777 1 1 18 LEU HD13 H -1.515 1.212 7.729 1.00 . A A . 18 LEU HD13 1 1 2 778 1 1 18 LEU HD21 H -1.622 3.842 9.666 1.00 . A A . 18 LEU HD21 1 1 2 779 1 1 18 LEU HD22 H -3.132 3.000 10.088 1.00 . A A . 18 LEU HD22 1 1 2 780 1 1 18 LEU HD23 H -1.684 2.064 9.645 1.00 . A A . 18 LEU HD23 1 1 2 781 1 1 18 LEU HG H -3.756 3.151 7.965 1.00 . A A . 18 LEU HG 1 1 2 782 1 1 18 LEU N N -0.882 3.489 5.194 1.00 . A A . 18 LEU N 1 1 2 783 1 1 18 LEU O O 0.105 2.728 8.522 1.00 . A A . 18 LEU O 1 1 2 784 1 1 19 SER C C 3.121 1.073 6.417 1.00 . A A . 19 SER C 1 1 2 785 1 1 19 SER CA C 1.731 1.017 7.055 1.00 . A A . 19 SER CA 1 1 2 786 1 1 19 SER CB C 1.103 -0.361 6.838 1.00 . A A . 19 SER CB 1 1 2 787 1 1 19 SER H H 0.921 2.157 5.511 1.00 . A A . 19 SER H 1 1 2 788 1 1 19 SER HA H 1.792 1.224 8.123 1.00 . A A . 19 SER HA 1 1 2 789 1 1 19 SER HB2 H 0.396 -0.311 6.010 1.00 . A A . 19 SER HB2 1 1 2 790 1 1 19 SER HB3 H 1.878 -1.072 6.553 1.00 . A A . 19 SER HB3 1 1 2 791 1 1 19 SER HG H -0.543 -0.624 7.946 1.00 . A A . 19 SER HG 1 1 2 792 1 1 19 SER N N 0.890 2.067 6.507 1.00 . A A . 19 SER N 1 1 2 793 1 1 19 SER O O 4.099 1.416 7.080 1.00 . A A . 19 SER O 1 1 2 794 1 1 19 SER OG O 0.434 -0.832 8.005 1.00 . A A . 19 SER OG 1 1 2 795 1 1 20 LYS C C 4.839 2.183 4.136 1.00 . A A . 20 LYS C 1 1 2 796 1 1 20 LYS CA C 4.418 0.737 4.404 1.00 . A A . 20 LYS CA 1 1 2 797 1 1 20 LYS CB C 4.302 -0.114 3.137 1.00 . A A . 20 LYS CB 1 1 2 798 1 1 20 LYS CD C 4.039 -2.099 4.671 1.00 . A A . 20 LYS CD 1 1 2 799 1 1 20 LYS CE C 3.993 -3.620 4.513 1.00 . A A . 20 LYS CE 1 1 2 800 1 1 20 LYS CG C 3.521 -1.401 3.412 1.00 . A A . 20 LYS CG 1 1 2 801 1 1 20 LYS H H 2.364 0.452 4.606 1.00 . A A . 20 LYS H 1 1 2 802 1 1 20 LYS HA H 5.171 0.270 5.038 1.00 . A A . 20 LYS HA 1 1 2 803 1 1 20 LYS HB2 H 3.804 0.458 2.354 1.00 . A A . 20 LYS HB2 1 1 2 804 1 1 20 LYS HB3 H 5.297 -0.360 2.768 1.00 . A A . 20 LYS HB3 1 1 2 805 1 1 20 LYS HD2 H 5.062 -1.782 4.872 1.00 . A A . 20 LYS HD2 1 1 2 806 1 1 20 LYS HD3 H 3.438 -1.800 5.530 1.00 . A A . 20 LYS HD3 1 1 2 807 1 1 20 LYS HE2 H 3.617 -4.075 5.430 1.00 . A A . 20 LYS HE2 1 1 2 808 1 1 20 LYS HE3 H 3.299 -3.888 3.716 1.00 . A A . 20 LYS HE3 1 1 2 809 1 1 20 LYS HG2 H 2.462 -1.170 3.529 1.00 . A A . 20 LYS HG2 1 1 2 810 1 1 20 LYS HG3 H 3.608 -2.073 2.558 1.00 . A A . 20 LYS HG3 1 1 2 811 1 1 20 LYS HZ1 H 5.506 -4.974 4.748 1.00 . A A . 20 LYS HZ1 1 1 2 812 1 1 20 LYS HZ2 H 5.395 -4.376 3.233 1.00 . A A . 20 LYS HZ2 1 1 2 813 1 1 20 LYS HZ3 H 6.028 -3.461 4.427 1.00 . A A . 20 LYS HZ3 1 1 2 814 1 1 20 LYS N N 3.164 0.730 5.138 1.00 . A A . 20 LYS N 1 1 2 815 1 1 20 LYS NZ N 5.339 -4.151 4.205 1.00 . A A . 20 LYS NZ 1 1 2 816 1 1 20 LYS O O 5.080 2.561 2.990 1.00 . A A . 20 LYS O 1 1 2 817 1 1 21 HIS C C 5.480 4.939 6.508 1.00 . A A . 21 HIS C 1 1 2 818 1 1 21 HIS CA C 5.303 4.349 5.107 1.00 . A A . 21 HIS CA 1 1 2 819 1 1 21 HIS CB C 4.298 5.130 4.258 1.00 . A A . 21 HIS CB 1 1 2 820 1 1 21 HIS CD2 C 3.783 7.023 5.985 1.00 . A A . 21 HIS CD2 1 1 2 821 1 1 21 HIS CE1 C 1.611 7.095 5.730 1.00 . A A . 21 HIS CE1 1 1 2 822 1 1 21 HIS CG C 3.443 6.092 5.048 1.00 . A A . 21 HIS CG 1 1 2 823 1 1 21 HIS H H 4.717 2.637 6.140 1.00 . A A . 21 HIS H 1 1 2 824 1 1 21 HIS HA H 6.262 4.369 4.590 1.00 . A A . 21 HIS HA 1 1 2 825 1 1 21 HIS HB2 H 4.839 5.685 3.492 1.00 . A A . 21 HIS HB2 1 1 2 826 1 1 21 HIS HB3 H 3.649 4.424 3.741 1.00 . A A . 21 HIS HB3 1 1 2 827 1 1 21 HIS HD1 H 1.514 5.601 4.294 1.00 . A A . 21 HIS HD1 1 1 2 828 1 1 21 HIS HD2 H 4.793 7.234 6.337 1.00 . A A . 21 HIS HD2 1 1 2 829 1 1 21 HIS HE1 H 0.568 7.386 5.853 1.00 . A A . 21 HIS HE1 1 1 2 830 1 1 21 HIS HE2 H 2.623 8.315 7.121 1.00 . A A . 21 HIS HE2 1 1 2 831 1 1 21 HIS N N 4.915 2.953 5.212 1.00 . A A . 21 HIS N 1 1 2 832 1 1 21 HIS ND1 N 2.068 6.161 4.909 1.00 . A A . 21 HIS ND1 1 1 2 833 1 1 21 HIS NE2 N 2.676 7.628 6.396 1.00 . A A . 21 HIS NE2 1 1 2 834 1 1 21 HIS O O 6.396 5.725 6.743 1.00 . A A . 21 HIS O 1 1 2 835 1 1 22 ILE C C 5.155 3.899 9.681 1.00 . A A . 22 ILE C 1 1 2 836 1 1 22 ILE CA C 4.634 5.015 8.773 1.00 . A A . 22 ILE CA 1 1 2 837 1 1 22 ILE CB C 3.270 5.565 9.194 1.00 . A A . 22 ILE CB 1 1 2 838 1 1 22 ILE CD1 C 2.662 3.796 10.886 1.00 . A A . 22 ILE CD1 1 1 2 839 1 1 22 ILE CG1 C 2.995 5.274 10.671 1.00 . A A . 22 ILE CG1 1 1 2 840 1 1 22 ILE CG2 C 2.160 5.031 8.288 1.00 . A A . 22 ILE CG2 1 1 2 841 1 1 22 ILE H H 3.846 3.897 7.202 1.00 . A A . 22 ILE H 1 1 2 842 1 1 22 ILE HA H 5.340 5.845 8.806 1.00 . A A . 22 ILE HA 1 1 2 843 1 1 22 ILE HB H 3.288 6.648 9.078 1.00 . A A . 22 ILE HB 1 1 2 844 1 1 22 ILE HD11 H 2.883 3.238 9.976 1.00 . A A . 22 ILE HD11 1 1 2 845 1 1 22 ILE HD12 H 3.262 3.404 11.708 1.00 . A A . 22 ILE HD12 1 1 2 846 1 1 22 ILE HD13 H 1.604 3.693 11.127 1.00 . A A . 22 ILE HD13 1 1 2 847 1 1 22 ILE HG12 H 3.866 5.545 11.267 1.00 . A A . 22 ILE HG12 1 1 2 848 1 1 22 ILE HG13 H 2.166 5.891 11.018 1.00 . A A . 22 ILE HG13 1 1 2 849 1 1 22 ILE HG21 H 2.285 5.435 7.283 1.00 . A A . 22 ILE HG21 1 1 2 850 1 1 22 ILE HG22 H 2.212 3.943 8.251 1.00 . A A . 22 ILE HG22 1 1 2 851 1 1 22 ILE HG23 H 1.190 5.334 8.683 1.00 . A A . 22 ILE HG23 1 1 2 852 1 1 22 ILE N N 4.588 4.536 7.402 1.00 . A A . 22 ILE N 1 1 2 853 1 1 22 ILE O O 5.422 4.127 10.860 1.00 . A A . 22 ILE O 1 1 2 854 1 1 23 LYS C C 7.296 1.602 9.890 1.00 . A A . 23 LYS C 1 1 2 855 1 1 23 LYS CA C 5.767 1.564 9.839 1.00 . A A . 23 LYS CA 1 1 2 856 1 1 23 LYS CB C 5.204 0.271 9.247 1.00 . A A . 23 LYS CB 1 1 2 857 1 1 23 LYS CD C 3.237 -0.585 10.575 1.00 . A A . 23 LYS CD 1 1 2 858 1 1 23 LYS CE C 2.943 0.323 11.771 1.00 . A A . 23 LYS CE 1 1 2 859 1 1 23 LYS CG C 3.678 0.235 9.360 1.00 . A A . 23 LYS CG 1 1 2 860 1 1 23 LYS H H 5.064 2.540 8.137 1.00 . A A . 23 LYS H 1 1 2 861 1 1 23 LYS HA H 5.385 1.647 10.856 1.00 . A A . 23 LYS HA 1 1 2 862 1 1 23 LYS HB2 H 5.496 0.187 8.200 1.00 . A A . 23 LYS HB2 1 1 2 863 1 1 23 LYS HB3 H 5.630 -0.587 9.766 1.00 . A A . 23 LYS HB3 1 1 2 864 1 1 23 LYS HD2 H 2.348 -1.163 10.324 1.00 . A A . 23 LYS HD2 1 1 2 865 1 1 23 LYS HD3 H 4.018 -1.298 10.839 1.00 . A A . 23 LYS HD3 1 1 2 866 1 1 23 LYS HE2 H 3.803 0.344 12.439 1.00 . A A . 23 LYS HE2 1 1 2 867 1 1 23 LYS HE3 H 2.779 1.344 11.428 1.00 . A A . 23 LYS HE3 1 1 2 868 1 1 23 LYS HG2 H 3.292 1.251 9.444 1.00 . A A . 23 LYS HG2 1 1 2 869 1 1 23 LYS HG3 H 3.252 -0.194 8.453 1.00 . A A . 23 LYS HG3 1 1 2 870 1 1 23 LYS HZ1 H 1.173 0.622 12.749 1.00 . A A . 23 LYS HZ1 1 1 2 871 1 1 23 LYS HZ2 H 1.232 -0.786 11.923 1.00 . A A . 23 LYS HZ2 1 1 2 872 1 1 23 LYS HZ3 H 2.038 -0.633 13.335 1.00 . A A . 23 LYS HZ3 1 1 2 873 1 1 23 LYS N N 5.283 2.716 9.097 1.00 . A A . 23 LYS N 1 1 2 874 1 1 23 LYS NZ N 1.750 -0.158 12.504 1.00 . A A . 23 LYS NZ 1 1 2 875 1 1 23 LYS O O 7.928 0.657 10.360 1.00 . A A . 23 LYS O 1 1 2 876 1 1 24 THR C C 9.647 4.362 9.312 1.00 . A A . 24 THR C 1 1 2 877 1 1 24 THR CA C 9.288 2.877 9.386 1.00 . A A . 24 THR CA 1 1 2 878 1 1 24 THR CB C 9.851 2.057 8.223 1.00 . A A . 24 THR CB 1 1 2 879 1 1 24 THR CG2 C 9.322 2.527 6.866 1.00 . A A . 24 THR CG2 1 1 2 880 1 1 24 THR H H 7.325 3.468 9.022 1.00 . A A . 24 THR H 1 1 2 881 1 1 24 THR HA H 9.690 2.498 10.326 1.00 . A A . 24 THR HA 1 1 2 882 1 1 24 THR HB H 9.660 0.994 8.369 1.00 . A A . 24 THR HB 1 1 2 883 1 1 24 THR HG1 H 11.735 1.748 7.624 1.00 . A A . 24 THR HG1 1 1 2 884 1 1 24 THR HG21 H 8.540 3.272 7.019 1.00 . A A . 24 THR HG21 1 1 2 885 1 1 24 THR HG22 H 10.136 2.967 6.292 1.00 . A A . 24 THR HG22 1 1 2 886 1 1 24 THR HG23 H 8.911 1.676 6.322 1.00 . A A . 24 THR HG23 1 1 2 887 1 1 24 THR N N 7.846 2.704 9.402 1.00 . A A . 24 THR N 1 1 2 888 1 1 24 THR O O 9.146 5.166 10.098 1.00 . A A . 24 THR O 1 1 2 889 1 1 24 THR OG1 O 11.234 2.399 8.194 1.00 . A A . 24 THR OG1 1 1 2 890 1 1 25 ALA C C 12.148 6.086 7.232 1.00 . A A . 25 ALA C 1 1 2 891 1 1 25 ALA CA C 10.942 6.058 8.173 1.00 . A A . 25 ALA CA 1 1 2 892 1 1 25 ALA CB C 11.249 6.687 9.534 1.00 . A A . 25 ALA CB 1 1 2 893 1 1 25 ALA H H 10.913 4.024 7.725 1.00 . A A . 25 ALA H 1 1 2 894 1 1 25 ALA HA H 10.119 6.604 7.712 1.00 . A A . 25 ALA HA 1 1 2 895 1 1 25 ALA HB1 H 12.186 7.241 9.475 1.00 . A A . 25 ALA HB1 1 1 2 896 1 1 25 ALA HB2 H 10.442 7.365 9.811 1.00 . A A . 25 ALA HB2 1 1 2 897 1 1 25 ALA HB3 H 11.338 5.902 10.285 1.00 . A A . 25 ALA HB3 1 1 2 898 1 1 25 ALA N N 10.511 4.683 8.360 1.00 . A A . 25 ALA N 1 1 2 899 1 1 25 ALA O O 13.252 6.439 7.643 1.00 . A A . 25 ALA O 1 1 2 900 1 1 26 PHE C C 12.407 5.212 3.634 1.00 . A A . 26 PHE C 1 1 2 901 1 1 26 PHE CA C 12.947 5.688 4.984 1.00 . A A . 26 PHE CA 1 1 2 902 1 1 26 PHE CB C 14.009 4.700 5.472 1.00 . A A . 26 PHE CB 1 1 2 903 1 1 26 PHE CD1 C 12.235 2.945 5.267 1.00 . A A . 26 PHE CD1 1 1 2 904 1 1 26 PHE CD2 C 14.439 2.246 5.721 1.00 . A A . 26 PHE CD2 1 1 2 905 1 1 26 PHE CE1 C 11.803 1.592 5.281 1.00 . A A . 26 PHE CE1 1 1 2 906 1 1 26 PHE CE2 C 14.007 0.893 5.736 1.00 . A A . 26 PHE CE2 1 1 2 907 1 1 26 PHE CG C 13.544 3.243 5.487 1.00 . A A . 26 PHE CG 1 1 2 908 1 1 26 PHE CZ C 12.698 0.595 5.515 1.00 . A A . 26 PHE CZ 1 1 2 909 1 1 26 PHE H H 10.995 5.425 5.661 1.00 . A A . 26 PHE H 1 1 2 910 1 1 26 PHE HA H 13.321 6.707 4.885 1.00 . A A . 26 PHE HA 1 1 2 911 1 1 26 PHE HB2 H 14.889 4.783 4.833 1.00 . A A . 26 PHE HB2 1 1 2 912 1 1 26 PHE HB3 H 14.318 4.983 6.478 1.00 . A A . 26 PHE HB3 1 1 2 913 1 1 26 PHE HD1 H 11.518 3.744 5.079 1.00 . A A . 26 PHE HD1 1 1 2 914 1 1 26 PHE HD2 H 15.487 2.485 5.898 1.00 . A A . 26 PHE HD2 1 1 2 915 1 1 26 PHE HE1 H 10.755 1.353 5.104 1.00 . A A . 26 PHE HE1 1 1 2 916 1 1 26 PHE HE2 H 14.724 0.094 5.923 1.00 . A A . 26 PHE HE2 1 1 2 917 1 1 26 PHE HZ H 12.367 -0.444 5.526 1.00 . A A . 26 PHE HZ 1 1 2 918 1 1 26 PHE N N 11.896 5.710 5.987 1.00 . A A . 26 PHE N 1 1 2 919 1 1 26 PHE O O 11.206 5.289 3.380 1.00 . A A . 26 PHE O 1 1 2 920 1 1 27 ILE C C 13.531 2.840 1.286 1.00 . A A . 27 ILE C 1 1 2 921 1 1 27 ILE CA C 12.951 4.242 1.486 1.00 . A A . 27 ILE CA 1 1 2 922 1 1 27 ILE CB C 13.372 5.241 0.407 1.00 . A A . 27 ILE CB 1 1 2 923 1 1 27 ILE CD1 C 15.217 4.370 -1.075 1.00 . A A . 27 ILE CD1 1 1 2 924 1 1 27 ILE CG1 C 14.883 5.191 0.172 1.00 . A A . 27 ILE CG1 1 1 2 925 1 1 27 ILE CG2 C 12.893 6.653 0.750 1.00 . A A . 27 ILE CG2 1 1 2 926 1 1 27 ILE H H 14.296 4.671 3.019 1.00 . A A . 27 ILE H 1 1 2 927 1 1 27 ILE HA H 11.864 4.174 1.456 1.00 . A A . 27 ILE HA 1 1 2 928 1 1 27 ILE HB H 12.891 4.957 -0.528 1.00 . A A . 27 ILE HB 1 1 2 929 1 1 27 ILE HD11 H 15.225 5.023 -1.948 1.00 . A A . 27 ILE HD11 1 1 2 930 1 1 27 ILE HD12 H 16.198 3.911 -0.956 1.00 . A A . 27 ILE HD12 1 1 2 931 1 1 27 ILE HD13 H 14.465 3.593 -1.210 1.00 . A A . 27 ILE HD13 1 1 2 932 1 1 27 ILE HG12 H 15.272 6.203 0.061 1.00 . A A . 27 ILE HG12 1 1 2 933 1 1 27 ILE HG13 H 15.376 4.754 1.041 1.00 . A A . 27 ILE HG13 1 1 2 934 1 1 27 ILE HG21 H 11.942 6.845 0.254 1.00 . A A . 27 ILE HG21 1 1 2 935 1 1 27 ILE HG22 H 12.763 6.741 1.829 1.00 . A A . 27 ILE HG22 1 1 2 936 1 1 27 ILE HG23 H 13.632 7.380 0.413 1.00 . A A . 27 ILE HG23 1 1 2 937 1 1 27 ILE N N 13.321 4.730 2.804 1.00 . A A . 27 ILE N 1 1 2 938 1 1 27 ILE O O 14.661 2.692 0.825 1.00 . A A . 27 ILE O 1 1 2 939 1 1 28 VAL C C 11.932 -0.452 1.666 1.00 . A A . 28 VAL C 1 1 2 940 1 1 28 VAL CA C 13.148 0.462 1.507 1.00 . A A . 28 VAL CA 1 1 2 941 1 1 28 VAL CB C 14.264 0.153 2.507 1.00 . A A . 28 VAL CB 1 1 2 942 1 1 28 VAL CG1 C 14.264 -1.329 2.887 1.00 . A A . 28 VAL CG1 1 1 2 943 1 1 28 VAL CG2 C 15.627 0.578 1.957 1.00 . A A . 28 VAL CG2 1 1 2 944 1 1 28 VAL H H 11.811 1.976 2.016 1.00 . A A . 28 VAL H 1 1 2 945 1 1 28 VAL HA H 13.552 0.337 0.502 1.00 . A A . 28 VAL HA 1 1 2 946 1 1 28 VAL HB H 14.073 0.731 3.411 1.00 . A A . 28 VAL HB 1 1 2 947 1 1 28 VAL HG11 H 13.464 -1.521 3.602 1.00 . A A . 28 VAL HG11 1 1 2 948 1 1 28 VAL HG12 H 14.106 -1.933 1.994 1.00 . A A . 28 VAL HG12 1 1 2 949 1 1 28 VAL HG13 H 15.223 -1.589 3.336 1.00 . A A . 28 VAL HG13 1 1 2 950 1 1 28 VAL HG21 H 16.378 -0.161 2.235 1.00 . A A . 28 VAL HG21 1 1 2 951 1 1 28 VAL HG22 H 15.573 0.652 0.871 1.00 . A A . 28 VAL HG22 1 1 2 952 1 1 28 VAL HG23 H 15.900 1.548 2.374 1.00 . A A . 28 VAL HG23 1 1 2 953 1 1 28 VAL N N 12.729 1.847 1.642 1.00 . A A . 28 VAL N 1 1 2 954 1 1 28 VAL O O 11.768 -1.410 0.912 1.00 . A A . 28 VAL O 1 1 2 955 1 1 29 VAL C C 8.735 0.043 3.152 1.00 . A A . 29 VAL C 1 1 2 956 1 1 29 VAL CA C 9.914 -0.904 2.921 1.00 . A A . 29 VAL CA 1 1 2 957 1 1 29 VAL CB C 10.160 -1.852 4.097 1.00 . A A . 29 VAL CB 1 1 2 958 1 1 29 VAL CG1 C 8.864 -2.545 4.522 1.00 . A A . 29 VAL CG1 1 1 2 959 1 1 29 VAL CG2 C 11.244 -2.876 3.758 1.00 . A A . 29 VAL CG2 1 1 2 960 1 1 29 VAL H H 11.251 0.656 3.261 1.00 . A A . 29 VAL H 1 1 2 961 1 1 29 VAL HA H 9.711 -1.508 2.037 1.00 . A A . 29 VAL HA 1 1 2 962 1 1 29 VAL HB H 10.513 -1.257 4.939 1.00 . A A . 29 VAL HB 1 1 2 963 1 1 29 VAL HG11 H 8.365 -1.947 5.284 1.00 . A A . 29 VAL HG11 1 1 2 964 1 1 29 VAL HG12 H 8.209 -2.652 3.657 1.00 . A A . 29 VAL HG12 1 1 2 965 1 1 29 VAL HG13 H 9.095 -3.530 4.927 1.00 . A A . 29 VAL HG13 1 1 2 966 1 1 29 VAL HG21 H 11.635 -2.675 2.760 1.00 . A A . 29 VAL HG21 1 1 2 967 1 1 29 VAL HG22 H 12.052 -2.805 4.486 1.00 . A A . 29 VAL HG22 1 1 2 968 1 1 29 VAL HG23 H 10.818 -3.879 3.785 1.00 . A A . 29 VAL HG23 1 1 2 969 1 1 29 VAL N N 11.111 -0.124 2.653 1.00 . A A . 29 VAL N 1 1 2 970 1 1 29 VAL O O 7.666 -0.385 3.585 1.00 . A A . 29 VAL O 1 1 2 971 1 1 30 ALA C C 7.306 2.634 1.666 1.00 . A A . 30 ALA C 1 1 2 972 1 1 30 ALA CA C 7.939 2.323 3.024 1.00 . A A . 30 ALA CA 1 1 2 973 1 1 30 ALA CB C 8.546 3.564 3.683 1.00 . A A . 30 ALA CB 1 1 2 974 1 1 30 ALA H H 9.841 1.652 2.502 1.00 . A A . 30 ALA H 1 1 2 975 1 1 30 ALA HA H 7.177 1.912 3.685 1.00 . A A . 30 ALA HA 1 1 2 976 1 1 30 ALA HB1 H 7.923 4.432 3.465 1.00 . A A . 30 ALA HB1 1 1 2 977 1 1 30 ALA HB2 H 8.597 3.415 4.761 1.00 . A A . 30 ALA HB2 1 1 2 978 1 1 30 ALA HB3 H 9.549 3.729 3.291 1.00 . A A . 30 ALA HB3 1 1 2 979 1 1 30 ALA N N 8.969 1.312 2.854 1.00 . A A . 30 ALA N 1 1 2 980 1 1 30 ALA O O 7.518 3.711 1.111 1.00 . A A . 30 ALA O 1 1 2 981 1 1 31 LEU C C 5.125 3.161 -0.130 1.00 . A A . 31 LEU C 1 1 2 982 1 1 31 LEU CA C 5.878 1.829 -0.112 1.00 . A A . 31 LEU CA 1 1 2 983 1 1 31 LEU CB C 4.992 0.617 -0.409 1.00 . A A . 31 LEU CB 1 1 2 984 1 1 31 LEU CD1 C 5.720 0.156 -2.779 1.00 . A A . 31 LEU CD1 1 1 2 985 1 1 31 LEU CD2 C 6.900 -0.975 -0.839 1.00 . A A . 31 LEU CD2 1 1 2 986 1 1 31 LEU CG C 5.576 -0.421 -1.369 1.00 . A A . 31 LEU CG 1 1 2 987 1 1 31 LEU H H 6.376 0.798 1.629 1.00 . A A . 31 LEU H 1 1 2 988 1 1 31 LEU HA H 6.651 1.859 -0.879 1.00 . A A . 31 LEU HA 1 1 2 989 1 1 31 LEU HB2 H 4.761 0.122 0.534 1.00 . A A . 31 LEU HB2 1 1 2 990 1 1 31 LEU HB3 H 4.049 0.974 -0.821 1.00 . A A . 31 LEU HB3 1 1 2 991 1 1 31 LEU HD11 H 6.637 -0.219 -3.233 1.00 . A A . 31 LEU HD11 1 1 2 992 1 1 31 LEU HD12 H 4.865 -0.146 -3.384 1.00 . A A . 31 LEU HD12 1 1 2 993 1 1 31 LEU HD13 H 5.760 1.244 -2.724 1.00 . A A . 31 LEU HD13 1 1 2 994 1 1 31 LEU HD21 H 7.003 -2.019 -1.138 1.00 . A A . 31 LEU HD21 1 1 2 995 1 1 31 LEU HD22 H 7.727 -0.396 -1.249 1.00 . A A . 31 LEU HD22 1 1 2 996 1 1 31 LEU HD23 H 6.913 -0.906 0.249 1.00 . A A . 31 LEU HD23 1 1 2 997 1 1 31 LEU HG H 4.880 -1.257 -1.433 1.00 . A A . 31 LEU HG 1 1 2 998 1 1 31 LEU N N 6.543 1.672 1.171 1.00 . A A . 31 LEU N 1 1 2 999 1 1 31 LEU O O 4.874 3.751 0.919 1.00 . A A . 31 LEU O 1 1 2 1000 1 1 32 GLY C C 4.902 5.858 -2.289 1.00 . A A . 32 GLY C 1 1 2 1001 1 1 32 GLY CA C 4.065 4.845 -1.504 1.00 . A A . 32 GLY CA 1 1 2 1002 1 1 32 GLY H H 4.992 3.108 -2.184 1.00 . A A . 32 GLY H 1 1 2 1003 1 1 32 GLY HA2 H 3.126 4.661 -2.027 1.00 . A A . 32 GLY HA2 1 1 2 1004 1 1 32 GLY HA3 H 3.810 5.258 -0.528 1.00 . A A . 32 GLY HA3 1 1 2 1005 1 1 32 GLY N N 4.785 3.595 -1.335 1.00 . A A . 32 GLY N 1 1 2 1006 1 1 32 GLY O O 5.743 6.549 -1.717 1.00 . A A . 32 GLY O 1 1 3 1007 1 1 1 TYR C C -5.040 -0.512 -15.555 1.00 . A A . 1 TYR C 1 1 3 1008 1 1 1 TYR CA C -5.887 -0.411 -16.826 1.00 . A A . 1 TYR CA 1 1 3 1009 1 1 1 TYR CB C -5.549 -1.588 -17.744 1.00 . A A . 1 TYR CB 1 1 3 1010 1 1 1 TYR CD1 C -7.103 -3.140 -16.505 1.00 . A A . 1 TYR CD1 1 1 3 1011 1 1 1 TYR CD2 C -5.013 -4.007 -17.277 1.00 . A A . 1 TYR CD2 1 1 3 1012 1 1 1 TYR CE1 C -7.433 -4.428 -15.952 1.00 . A A . 1 TYR CE1 1 1 3 1013 1 1 1 TYR CE2 C -5.343 -5.295 -16.724 1.00 . A A . 1 TYR CE2 1 1 3 1014 1 1 1 TYR CG C -5.900 -2.956 -17.156 1.00 . A A . 1 TYR CG 1 1 3 1015 1 1 1 TYR CZ C -6.537 -5.442 -16.089 1.00 . A A . 1 TYR CZ 1 1 3 1016 1 1 1 TYR H1 H -4.851 0.672 -18.272 1.00 . A A . 1 TYR H1 1 1 3 1017 1 1 1 TYR HA H -6.940 -0.358 -16.549 1.00 . A A . 1 TYR HA 1 1 3 1018 1 1 1 TYR HB2 H -6.079 -1.462 -18.688 1.00 . A A . 1 TYR HB2 1 1 3 1019 1 1 1 TYR HB3 H -4.483 -1.564 -17.971 1.00 . A A . 1 TYR HB3 1 1 3 1020 1 1 1 TYR HD1 H -7.803 -2.310 -16.410 1.00 . A A . 1 TYR HD1 1 1 3 1021 1 1 1 TYR HD2 H -4.063 -3.862 -17.792 1.00 . A A . 1 TYR HD2 1 1 3 1022 1 1 1 TYR HE1 H -8.379 -4.587 -15.436 1.00 . A A . 1 TYR HE1 1 1 3 1023 1 1 1 TYR HE2 H -4.652 -6.133 -16.813 1.00 . A A . 1 TYR HE2 1 1 3 1024 1 1 1 TYR HH H -6.037 -7.243 -15.554 1.00 . A A . 1 TYR HH 1 1 3 1025 1 1 1 TYR N N -5.559 0.789 -17.576 1.00 . A A . 1 TYR N 1 1 3 1026 1 1 1 TYR O O -3.818 -0.627 -15.627 1.00 . A A . 1 TYR O 1 1 3 1027 1 1 1 TYR OH O -6.848 -6.658 -15.567 1.00 . A A . 1 TYR OH 1 1 3 1028 1 1 2 ALA C C -5.873 -1.431 -12.192 1.00 . A A . 2 ALA C 1 1 3 1029 1 1 2 ALA CA C -5.051 -0.551 -13.137 1.00 . A A . 2 ALA CA 1 1 3 1030 1 1 2 ALA CB C -4.834 0.857 -12.580 1.00 . A A . 2 ALA CB 1 1 3 1031 1 1 2 ALA H H -6.719 -0.373 -14.372 1.00 . A A . 2 ALA H 1 1 3 1032 1 1 2 ALA HA H -4.080 -1.017 -13.301 1.00 . A A . 2 ALA HA 1 1 3 1033 1 1 2 ALA HB1 H -4.179 0.807 -11.710 1.00 . A A . 2 ALA HB1 1 1 3 1034 1 1 2 ALA HB2 H -4.374 1.484 -13.345 1.00 . A A . 2 ALA HB2 1 1 3 1035 1 1 2 ALA HB3 H -5.793 1.285 -12.288 1.00 . A A . 2 ALA HB3 1 1 3 1036 1 1 2 ALA N N -5.725 -0.466 -14.421 1.00 . A A . 2 ALA N 1 1 3 1037 1 1 2 ALA O O -5.912 -1.186 -10.987 1.00 . A A . 2 ALA O 1 1 3 1038 1 1 3 PHE C C -6.563 -3.875 -10.782 1.00 . A A . 3 PHE C 1 1 3 1039 1 1 3 PHE CA C -7.328 -3.353 -12.000 1.00 . A A . 3 PHE CA 1 1 3 1040 1 1 3 PHE CB C -7.668 -4.531 -12.916 1.00 . A A . 3 PHE CB 1 1 3 1041 1 1 3 PHE CD1 C -8.936 -6.050 -11.380 1.00 . A A . 3 PHE CD1 1 1 3 1042 1 1 3 PHE CD2 C -6.931 -6.850 -12.323 1.00 . A A . 3 PHE CD2 1 1 3 1043 1 1 3 PHE CE1 C -9.106 -7.282 -10.696 1.00 . A A . 3 PHE CE1 1 1 3 1044 1 1 3 PHE CE2 C -7.101 -8.082 -11.639 1.00 . A A . 3 PHE CE2 1 1 3 1045 1 1 3 PHE CG C -7.852 -5.859 -12.179 1.00 . A A . 3 PHE CG 1 1 3 1046 1 1 3 PHE CZ C -8.185 -8.273 -10.840 1.00 . A A . 3 PHE CZ 1 1 3 1047 1 1 3 PHE H H -6.472 -2.628 -13.756 1.00 . A A . 3 PHE H 1 1 3 1048 1 1 3 PHE HA H -8.206 -2.801 -11.667 1.00 . A A . 3 PHE HA 1 1 3 1049 1 1 3 PHE HB2 H -8.583 -4.300 -13.462 1.00 . A A . 3 PHE HB2 1 1 3 1050 1 1 3 PHE HB3 H -6.876 -4.644 -13.656 1.00 . A A . 3 PHE HB3 1 1 3 1051 1 1 3 PHE HD1 H -9.674 -5.256 -11.265 1.00 . A A . 3 PHE HD1 1 1 3 1052 1 1 3 PHE HD2 H -6.062 -6.697 -12.963 1.00 . A A . 3 PHE HD2 1 1 3 1053 1 1 3 PHE HE1 H -9.975 -7.435 -10.056 1.00 . A A . 3 PHE HE1 1 1 3 1054 1 1 3 PHE HE2 H -6.363 -8.876 -11.755 1.00 . A A . 3 PHE HE2 1 1 3 1055 1 1 3 PHE HZ H -8.316 -9.219 -10.316 1.00 . A A . 3 PHE HZ 1 1 3 1056 1 1 3 PHE N N -6.509 -2.436 -12.775 1.00 . A A . 3 PHE N 1 1 3 1057 1 1 3 PHE O O -6.921 -3.573 -9.644 1.00 . A A . 3 PHE O 1 1 3 1058 1 1 4 ALA C C -3.317 -5.538 -10.555 1.00 . A A . 4 ALA C 1 1 3 1059 1 1 4 ALA CA C -4.706 -5.214 -10.002 1.00 . A A . 4 ALA CA 1 1 3 1060 1 1 4 ALA CB C -5.404 -6.446 -9.421 1.00 . A A . 4 ALA CB 1 1 3 1061 1 1 4 ALA H H -5.240 -4.888 -11.989 1.00 . A A . 4 ALA H 1 1 3 1062 1 1 4 ALA HA H -4.611 -4.462 -9.219 1.00 . A A . 4 ALA HA 1 1 3 1063 1 1 4 ALA HB1 H -4.897 -7.347 -9.765 1.00 . A A . 4 ALA HB1 1 1 3 1064 1 1 4 ALA HB2 H -5.370 -6.402 -8.332 1.00 . A A . 4 ALA HB2 1 1 3 1065 1 1 4 ALA HB3 H -6.442 -6.465 -9.752 1.00 . A A . 4 ALA HB3 1 1 3 1066 1 1 4 ALA N N -5.524 -4.648 -11.061 1.00 . A A . 4 ALA N 1 1 3 1067 1 1 4 ALA O O -2.628 -6.415 -10.036 1.00 . A A . 4 ALA O 1 1 3 1068 1 1 5 CYS C C -0.565 -4.676 -11.205 1.00 . A A . 5 CYS C 1 1 3 1069 1 1 5 CYS CA C -1.652 -5.012 -12.228 1.00 . A A . 5 CYS CA 1 1 3 1070 1 1 5 CYS CB C -1.509 -4.182 -13.506 1.00 . A A . 5 CYS CB 1 1 3 1071 1 1 5 CYS H H -3.514 -4.102 -12.016 1.00 . A A . 5 CYS H 1 1 3 1072 1 1 5 CYS HA H -1.602 -6.062 -12.516 1.00 . A A . 5 CYS HA 1 1 3 1073 1 1 5 CYS HB2 H -2.276 -3.407 -13.533 1.00 . A A . 5 CYS HB2 1 1 3 1074 1 1 5 CYS HB3 H -0.544 -3.676 -13.514 1.00 . A A . 5 CYS HB3 1 1 3 1075 1 1 5 CYS HG H -2.991 -5.257 -15.014 1.00 . A A . 5 CYS HG 1 1 3 1076 1 1 5 CYS N N -2.947 -4.813 -11.600 1.00 . A A . 5 CYS N 1 1 3 1077 1 1 5 CYS O O 0.335 -5.479 -10.965 1.00 . A A . 5 CYS O 1 1 3 1078 1 1 5 CYS SG S -1.661 -5.262 -14.975 1.00 . A A . 5 CYS SG 1 1 3 1079 1 1 6 PRO C C 0.055 -3.714 -8.285 1.00 . A A . 6 PRO C 1 1 3 1080 1 1 6 PRO CA C 0.274 -3.006 -9.624 1.00 . A A . 6 PRO CA 1 1 3 1081 1 1 6 PRO CB C 0.074 -1.501 -9.539 1.00 . A A . 6 PRO CB 1 1 3 1082 1 1 6 PRO CD C -1.741 -2.480 -10.875 1.00 . A A . 6 PRO CD 1 1 3 1083 1 1 6 PRO CG C -1.296 -1.228 -10.137 1.00 . A A . 6 PRO CG 1 1 3 1084 1 1 6 PRO HA H 1.203 -3.241 -9.909 1.00 . A A . 6 PRO HA 1 1 3 1085 1 1 6 PRO HB2 H 0.126 -1.158 -8.506 1.00 . A A . 6 PRO HB2 1 1 3 1086 1 1 6 PRO HB3 H 0.853 -0.973 -10.089 1.00 . A A . 6 PRO HB3 1 1 3 1087 1 1 6 PRO HD2 H -2.706 -2.832 -10.512 1.00 . A A . 6 PRO HD2 1 1 3 1088 1 1 6 PRO HD3 H -1.851 -2.292 -11.943 1.00 . A A . 6 PRO HD3 1 1 3 1089 1 1 6 PRO HG2 H -2.010 -0.973 -9.354 1.00 . A A . 6 PRO HG2 1 1 3 1090 1 1 6 PRO HG3 H -1.253 -0.378 -10.818 1.00 . A A . 6 PRO HG3 1 1 3 1091 1 1 6 PRO N N -0.688 -3.457 -10.615 1.00 . A A . 6 PRO N 1 1 3 1092 1 1 6 PRO O O 0.640 -4.766 -8.032 1.00 . A A . 6 PRO O 1 1 3 1093 1 1 7 ALA C C -2.166 -2.814 -5.478 1.00 . A A . 7 ALA C 1 1 3 1094 1 1 7 ALA CA C -1.093 -3.668 -6.157 1.00 . A A . 7 ALA CA 1 1 3 1095 1 1 7 ALA CB C 0.190 -3.759 -5.329 1.00 . A A . 7 ALA CB 1 1 3 1096 1 1 7 ALA H H -1.262 -2.253 -7.676 1.00 . A A . 7 ALA H 1 1 3 1097 1 1 7 ALA HA H -1.484 -4.674 -6.310 1.00 . A A . 7 ALA HA 1 1 3 1098 1 1 7 ALA HB1 H 0.632 -2.767 -5.234 1.00 . A A . 7 ALA HB1 1 1 3 1099 1 1 7 ALA HB2 H -0.043 -4.149 -4.339 1.00 . A A . 7 ALA HB2 1 1 3 1100 1 1 7 ALA HB3 H 0.896 -4.425 -5.825 1.00 . A A . 7 ALA HB3 1 1 3 1101 1 1 7 ALA N N -0.790 -3.109 -7.463 1.00 . A A . 7 ALA N 1 1 3 1102 1 1 7 ALA O O -2.576 -1.785 -6.013 1.00 . A A . 7 ALA O 1 1 3 1103 1 1 8 CYS C C -4.951 -2.749 -4.261 1.00 . A A . 8 CYS C 1 1 3 1104 1 1 8 CYS CA C -3.607 -2.564 -3.552 1.00 . A A . 8 CYS CA 1 1 3 1105 1 1 8 CYS CB C -3.254 -1.086 -3.375 1.00 . A A . 8 CYS CB 1 1 3 1106 1 1 8 CYS H H -2.252 -4.111 -3.882 1.00 . A A . 8 CYS H 1 1 3 1107 1 1 8 CYS HA H -3.629 -3.014 -2.559 1.00 . A A . 8 CYS HA 1 1 3 1108 1 1 8 CYS HB2 H -3.322 -0.571 -4.333 1.00 . A A . 8 CYS HB2 1 1 3 1109 1 1 8 CYS HB3 H -3.970 -0.610 -2.706 1.00 . A A . 8 CYS HB3 1 1 3 1110 1 1 8 CYS HG H -0.930 -1.272 -3.815 1.00 . A A . 8 CYS HG 1 1 3 1111 1 1 8 CYS N N -2.590 -3.273 -4.310 1.00 . A A . 8 CYS N 1 1 3 1112 1 1 8 CYS O O -5.317 -1.951 -5.122 1.00 . A A . 8 CYS O 1 1 3 1113 1 1 8 CYS SG S -1.561 -0.924 -2.698 1.00 . A A . 8 CYS SG 1 1 3 1114 1 1 9 PRO C C -8.037 -3.185 -3.918 1.00 . A A . 9 PRO C 1 1 3 1115 1 1 9 PRO CA C -6.961 -4.134 -4.450 1.00 . A A . 9 PRO CA 1 1 3 1116 1 1 9 PRO CB C -7.225 -5.589 -4.098 1.00 . A A . 9 PRO CB 1 1 3 1117 1 1 9 PRO CD C -5.264 -4.801 -2.845 1.00 . A A . 9 PRO CD 1 1 3 1118 1 1 9 PRO CG C -6.296 -5.914 -2.941 1.00 . A A . 9 PRO CG 1 1 3 1119 1 1 9 PRO HA H -6.935 -3.990 -5.439 1.00 . A A . 9 PRO HA 1 1 3 1120 1 1 9 PRO HB2 H -8.268 -5.739 -3.816 1.00 . A A . 9 PRO HB2 1 1 3 1121 1 1 9 PRO HB3 H -7.029 -6.239 -4.951 1.00 . A A . 9 PRO HB3 1 1 3 1122 1 1 9 PRO HD2 H -5.257 -4.352 -1.852 1.00 . A A . 9 PRO HD2 1 1 3 1123 1 1 9 PRO HD3 H -4.258 -5.177 -3.032 1.00 . A A . 9 PRO HD3 1 1 3 1124 1 1 9 PRO HG2 H -6.858 -5.994 -2.010 1.00 . A A . 9 PRO HG2 1 1 3 1125 1 1 9 PRO HG3 H -5.807 -6.875 -3.101 1.00 . A A . 9 PRO HG3 1 1 3 1126 1 1 9 PRO N N -5.666 -3.834 -3.862 1.00 . A A . 9 PRO N 1 1 3 1127 1 1 9 PRO O O -7.724 -2.161 -3.314 1.00 . A A . 9 PRO O 1 1 3 1128 1 1 10 LYS C C -10.343 -2.595 -2.195 1.00 . A A . 10 LYS C 1 1 3 1129 1 1 10 LYS CA C -10.409 -2.756 -3.715 1.00 . A A . 10 LYS CA 1 1 3 1130 1 1 10 LYS CB C -11.727 -3.353 -4.214 1.00 . A A . 10 LYS CB 1 1 3 1131 1 1 10 LYS CD C -13.362 -5.259 -3.983 1.00 . A A . 10 LYS CD 1 1 3 1132 1 1 10 LYS CE C -13.744 -6.483 -3.149 1.00 . A A . 10 LYS CE 1 1 3 1133 1 1 10 LYS CG C -12.005 -4.701 -3.547 1.00 . A A . 10 LYS CG 1 1 3 1134 1 1 10 LYS H H -9.531 -4.395 -4.654 1.00 . A A . 10 LYS H 1 1 3 1135 1 1 10 LYS HA H -10.308 -1.771 -4.172 1.00 . A A . 10 LYS HA 1 1 3 1136 1 1 10 LYS HB2 H -12.545 -2.664 -4.005 1.00 . A A . 10 LYS HB2 1 1 3 1137 1 1 10 LYS HB3 H -11.686 -3.479 -5.296 1.00 . A A . 10 LYS HB3 1 1 3 1138 1 1 10 LYS HD2 H -14.126 -4.489 -3.876 1.00 . A A . 10 LYS HD2 1 1 3 1139 1 1 10 LYS HD3 H -13.326 -5.529 -5.038 1.00 . A A . 10 LYS HD3 1 1 3 1140 1 1 10 LYS HE2 H -12.934 -6.732 -2.464 1.00 . A A . 10 LYS HE2 1 1 3 1141 1 1 10 LYS HE3 H -14.619 -6.257 -2.539 1.00 . A A . 10 LYS HE3 1 1 3 1142 1 1 10 LYS HG2 H -11.217 -5.409 -3.806 1.00 . A A . 10 LYS HG2 1 1 3 1143 1 1 10 LYS HG3 H -11.986 -4.586 -2.464 1.00 . A A . 10 LYS HG3 1 1 3 1144 1 1 10 LYS HZ1 H -14.218 -8.446 -3.467 1.00 . A A . 10 LYS HZ1 1 1 3 1145 1 1 10 LYS HZ2 H -14.829 -7.436 -4.596 1.00 . A A . 10 LYS HZ2 1 1 3 1146 1 1 10 LYS HZ3 H -13.241 -7.816 -4.614 1.00 . A A . 10 LYS HZ3 1 1 3 1147 1 1 10 LYS N N -9.285 -3.560 -4.162 1.00 . A A . 10 LYS N 1 1 3 1148 1 1 10 LYS NZ N -14.031 -7.639 -4.028 1.00 . A A . 10 LYS NZ 1 1 3 1149 1 1 10 LYS O O -10.568 -1.504 -1.673 1.00 . A A . 10 LYS O 1 1 3 1150 1 1 11 ARG C C -9.049 -2.536 0.389 1.00 . A A . 11 ARG C 1 1 3 1151 1 1 11 ARG CA C -9.936 -3.692 -0.079 1.00 . A A . 11 ARG CA 1 1 3 1152 1 1 11 ARG CB C -9.358 -5.011 0.439 1.00 . A A . 11 ARG CB 1 1 3 1153 1 1 11 ARG CD C -8.738 -6.337 2.492 1.00 . A A . 11 ARG CD 1 1 3 1154 1 1 11 ARG CG C -9.438 -5.083 1.965 1.00 . A A . 11 ARG CG 1 1 3 1155 1 1 11 ARG CZ C -6.638 -7.559 1.939 1.00 . A A . 11 ARG CZ 1 1 3 1156 1 1 11 ARG H H -9.852 -4.580 -1.961 1.00 . A A . 11 ARG H 1 1 3 1157 1 1 11 ARG HA H -10.961 -3.566 0.270 1.00 . A A . 11 ARG HA 1 1 3 1158 1 1 11 ARG HB2 H -9.905 -5.847 0.003 1.00 . A A . 11 ARG HB2 1 1 3 1159 1 1 11 ARG HB3 H -8.320 -5.107 0.120 1.00 . A A . 11 ARG HB3 1 1 3 1160 1 1 11 ARG HD2 H -8.668 -6.295 3.579 1.00 . A A . 11 ARG HD2 1 1 3 1161 1 1 11 ARG HD3 H -9.325 -7.222 2.245 1.00 . A A . 11 ARG HD3 1 1 3 1162 1 1 11 ARG HE H -7.004 -5.641 1.450 1.00 . A A . 11 ARG HE 1 1 3 1163 1 1 11 ARG HG2 H -8.977 -4.195 2.399 1.00 . A A . 11 ARG HG2 1 1 3 1164 1 1 11 ARG HG3 H -10.482 -5.085 2.279 1.00 . A A . 11 ARG HG3 1 1 3 1165 1 1 11 ARG HH11 H -8.016 -8.657 2.955 1.00 . A A . 11 ARG HH11 1 1 3 1166 1 1 11 ARG HH12 H -6.551 -9.493 2.563 1.00 . A A . 11 ARG HH12 1 1 3 1167 1 1 11 ARG HH21 H -5.070 -6.744 0.933 1.00 . A A . 11 ARG HH21 1 1 3 1168 1 1 11 ARG HH22 H -4.864 -8.397 1.405 1.00 . A A . 11 ARG HH22 1 1 3 1169 1 1 11 ARG N N -10.034 -3.697 -1.528 1.00 . A A . 11 ARG N 1 1 3 1170 1 1 11 ARG NE N -7.385 -6.447 1.903 1.00 . A A . 11 ARG NE 1 1 3 1171 1 1 11 ARG NH1 N -7.108 -8.663 2.536 1.00 . A A . 11 ARG NH1 1 1 3 1172 1 1 11 ARG NH2 N -5.421 -7.568 1.378 1.00 . A A . 11 ARG NH2 1 1 3 1173 1 1 11 ARG O O -9.291 -1.952 1.444 1.00 . A A . 11 ARG O 1 1 3 1174 1 1 12 PHE C C -7.276 0.001 -1.077 1.00 . A A . 12 PHE C 1 1 3 1175 1 1 12 PHE CA C -7.117 -1.166 -0.100 1.00 . A A . 12 PHE CA 1 1 3 1176 1 1 12 PHE CB C -5.704 -1.737 -0.232 1.00 . A A . 12 PHE CB 1 1 3 1177 1 1 12 PHE CD1 C -5.021 -1.446 2.160 1.00 . A A . 12 PHE CD1 1 1 3 1178 1 1 12 PHE CD2 C -4.707 -3.559 1.167 1.00 . A A . 12 PHE CD2 1 1 3 1179 1 1 12 PHE CE1 C -4.481 -1.938 3.377 1.00 . A A . 12 PHE CE1 1 1 3 1180 1 1 12 PHE CE2 C -4.167 -4.051 2.384 1.00 . A A . 12 PHE CE2 1 1 3 1181 1 1 12 PHE CG C -5.122 -2.267 1.080 1.00 . A A . 12 PHE CG 1 1 3 1182 1 1 12 PHE CZ C -4.066 -3.231 3.464 1.00 . A A . 12 PHE CZ 1 1 3 1183 1 1 12 PHE H H -7.852 -2.722 -1.275 1.00 . A A . 12 PHE H 1 1 3 1184 1 1 12 PHE HA H -7.351 -0.827 0.909 1.00 . A A . 12 PHE HA 1 1 3 1185 1 1 12 PHE HB2 H -5.716 -2.544 -0.965 1.00 . A A . 12 PHE HB2 1 1 3 1186 1 1 12 PHE HB3 H -5.045 -0.961 -0.623 1.00 . A A . 12 PHE HB3 1 1 3 1187 1 1 12 PHE HD1 H -5.354 -0.411 2.090 1.00 . A A . 12 PHE HD1 1 1 3 1188 1 1 12 PHE HD2 H -4.788 -4.217 0.301 1.00 . A A . 12 PHE HD2 1 1 3 1189 1 1 12 PHE HE1 H -4.400 -1.281 4.243 1.00 . A A . 12 PHE HE1 1 1 3 1190 1 1 12 PHE HE2 H -3.834 -5.087 2.454 1.00 . A A . 12 PHE HE2 1 1 3 1191 1 1 12 PHE HZ H -3.651 -3.608 4.399 1.00 . A A . 12 PHE HZ 1 1 3 1192 1 1 12 PHE N N -8.041 -2.241 -0.418 1.00 . A A . 12 PHE N 1 1 3 1193 1 1 12 PHE O O -7.970 -0.120 -2.086 1.00 . A A . 12 PHE O 1 1 3 1194 1 1 13 MET C C -6.070 3.496 -0.864 1.00 . A A . 13 MET C 1 1 3 1195 1 1 13 MET CA C -6.682 2.291 -1.579 1.00 . A A . 13 MET CA 1 1 3 1196 1 1 13 MET CB C -8.140 2.593 -1.933 1.00 . A A . 13 MET CB 1 1 3 1197 1 1 13 MET CE C -9.580 3.324 1.822 1.00 . A A . 13 MET CE 1 1 3 1198 1 1 13 MET CG C -9.045 2.438 -0.709 1.00 . A A . 13 MET CG 1 1 3 1199 1 1 13 MET H H -6.060 1.193 0.078 1.00 . A A . 13 MET H 1 1 3 1200 1 1 13 MET HA H -6.100 2.053 -2.469 1.00 . A A . 13 MET HA 1 1 3 1201 1 1 13 MET HB2 H -8.220 3.608 -2.322 1.00 . A A . 13 MET HB2 1 1 3 1202 1 1 13 MET HB3 H -8.473 1.921 -2.723 1.00 . A A . 13 MET HB3 1 1 3 1203 1 1 13 MET HE1 H -9.022 2.418 2.054 1.00 . A A . 13 MET HE1 1 1 3 1204 1 1 13 MET HE2 H -9.390 4.074 2.590 1.00 . A A . 13 MET HE2 1 1 3 1205 1 1 13 MET HE3 H -10.646 3.097 1.793 1.00 . A A . 13 MET HE3 1 1 3 1206 1 1 13 MET HG2 H -10.057 2.184 -1.024 1.00 . A A . 13 MET HG2 1 1 3 1207 1 1 13 MET HG3 H -8.690 1.616 -0.086 1.00 . A A . 13 MET HG3 1 1 3 1208 1 1 13 MET N N -6.622 1.104 -0.744 1.00 . A A . 13 MET N 1 1 3 1209 1 1 13 MET O O -5.508 4.384 -1.505 1.00 . A A . 13 MET O 1 1 3 1210 1 1 13 MET SD S -9.062 3.953 0.234 1.00 . A A . 13 MET SD 1 1 3 1211 1 1 14 ARG C C -4.992 4.013 2.521 1.00 . A A . 14 ARG C 1 1 3 1212 1 1 14 ARG CA C -5.664 4.571 1.264 1.00 . A A . 14 ARG CA 1 1 3 1213 1 1 14 ARG CB C -6.767 5.548 1.676 1.00 . A A . 14 ARG CB 1 1 3 1214 1 1 14 ARG CD C -6.347 7.563 0.219 1.00 . A A . 14 ARG CD 1 1 3 1215 1 1 14 ARG CG C -7.257 6.360 0.475 1.00 . A A . 14 ARG CG 1 1 3 1216 1 1 14 ARG CZ C -6.707 9.967 -0.328 1.00 . A A . 14 ARG CZ 1 1 3 1217 1 1 14 ARG H H -6.656 2.764 0.968 1.00 . A A . 14 ARG H 1 1 3 1218 1 1 14 ARG HA H -4.939 5.070 0.621 1.00 . A A . 14 ARG HA 1 1 3 1219 1 1 14 ARG HB2 H -7.601 4.997 2.112 1.00 . A A . 14 ARG HB2 1 1 3 1220 1 1 14 ARG HB3 H -6.393 6.222 2.447 1.00 . A A . 14 ARG HB3 1 1 3 1221 1 1 14 ARG HD2 H -5.838 7.847 1.140 1.00 . A A . 14 ARG HD2 1 1 3 1222 1 1 14 ARG HD3 H -5.575 7.298 -0.503 1.00 . A A . 14 ARG HD3 1 1 3 1223 1 1 14 ARG HE H -8.068 8.514 -0.625 1.00 . A A . 14 ARG HE 1 1 3 1224 1 1 14 ARG HG2 H -7.284 5.725 -0.410 1.00 . A A . 14 ARG HG2 1 1 3 1225 1 1 14 ARG HG3 H -8.276 6.702 0.654 1.00 . A A . 14 ARG HG3 1 1 3 1226 1 1 14 ARG HH11 H -4.885 9.542 0.468 1.00 . A A . 14 ARG HH11 1 1 3 1227 1 1 14 ARG HH12 H -5.150 11.209 0.083 1.00 . A A . 14 ARG HH12 1 1 3 1228 1 1 14 ARG HH21 H -8.418 10.714 -1.133 1.00 . A A . 14 ARG HH21 1 1 3 1229 1 1 14 ARG HH22 H -7.173 11.881 -0.834 1.00 . A A . 14 ARG HH22 1 1 3 1230 1 1 14 ARG N N -6.198 3.490 0.455 1.00 . A A . 14 ARG N 1 1 3 1231 1 1 14 ARG NE N -7.144 8.701 -0.289 1.00 . A A . 14 ARG NE 1 1 3 1232 1 1 14 ARG NH1 N -5.476 10.264 0.112 1.00 . A A . 14 ARG NH1 1 1 3 1233 1 1 14 ARG NH2 N -7.500 10.936 -0.806 1.00 . A A . 14 ARG NH2 1 1 3 1234 1 1 14 ARG O O -3.833 4.318 2.797 1.00 . A A . 14 ARG O 1 1 3 1235 1 1 15 SER C C -3.887 1.941 4.201 1.00 . A A . 15 SER C 1 1 3 1236 1 1 15 SER CA C -5.241 2.601 4.468 1.00 . A A . 15 SER CA 1 1 3 1237 1 1 15 SER CB C -6.230 1.576 5.028 1.00 . A A . 15 SER CB 1 1 3 1238 1 1 15 SER H H -6.691 2.962 3.016 1.00 . A A . 15 SER H 1 1 3 1239 1 1 15 SER HA H -5.133 3.424 5.174 1.00 . A A . 15 SER HA 1 1 3 1240 1 1 15 SER HB2 H -6.579 0.931 4.221 1.00 . A A . 15 SER HB2 1 1 3 1241 1 1 15 SER HB3 H -5.720 0.937 5.749 1.00 . A A . 15 SER HB3 1 1 3 1242 1 1 15 SER HG H -7.080 2.567 6.544 1.00 . A A . 15 SER HG 1 1 3 1243 1 1 15 SER N N -5.749 3.205 3.248 1.00 . A A . 15 SER N 1 1 3 1244 1 1 15 SER O O -3.098 1.740 5.123 1.00 . A A . 15 SER O 1 1 3 1245 1 1 15 SER OG O -7.348 2.199 5.654 1.00 . A A . 15 SER OG 1 1 3 1246 1 1 16 ASP C C -1.419 2.065 2.094 1.00 . A A . 16 ASP C 1 1 3 1247 1 1 16 ASP CA C -2.413 0.990 2.536 1.00 . A A . 16 ASP CA 1 1 3 1248 1 1 16 ASP CB C -2.632 0.037 1.359 1.00 . A A . 16 ASP CB 1 1 3 1249 1 1 16 ASP CG C -2.318 -1.432 1.650 1.00 . A A . 16 ASP CG 1 1 3 1250 1 1 16 ASP H H -4.306 1.790 2.192 1.00 . A A . 16 ASP H 1 1 3 1251 1 1 16 ASP HA H -2.074 0.444 3.416 1.00 . A A . 16 ASP HA 1 1 3 1252 1 1 16 ASP HB2 H -3.671 0.114 1.038 1.00 . A A . 16 ASP HB2 1 1 3 1253 1 1 16 ASP HB3 H -2.015 0.367 0.524 1.00 . A A . 16 ASP HB3 1 1 3 1254 1 1 16 ASP N N -3.659 1.623 2.936 1.00 . A A . 16 ASP N 1 1 3 1255 1 1 16 ASP O O -0.208 1.883 2.213 1.00 . A A . 16 ASP O 1 1 3 1256 1 1 16 ASP OD1 O -1.857 -1.701 2.780 1.00 . A A . 16 ASP OD1 1 1 3 1257 1 1 16 ASP OD2 O -2.545 -2.253 0.735 1.00 . A A . 16 ASP OD2 1 1 3 1258 1 1 17 ALA C C -0.777 5.156 2.324 1.00 . A A . 17 ALA C 1 1 3 1259 1 1 17 ALA CA C -1.142 4.268 1.134 1.00 . A A . 17 ALA CA 1 1 3 1260 1 1 17 ALA CB C -1.884 5.037 0.039 1.00 . A A . 17 ALA CB 1 1 3 1261 1 1 17 ALA H H -2.952 3.304 1.501 1.00 . A A . 17 ALA H 1 1 3 1262 1 1 17 ALA HA H -0.230 3.848 0.711 1.00 . A A . 17 ALA HA 1 1 3 1263 1 1 17 ALA HB1 H -1.208 5.225 -0.795 1.00 . A A . 17 ALA HB1 1 1 3 1264 1 1 17 ALA HB2 H -2.733 4.447 -0.308 1.00 . A A . 17 ALA HB2 1 1 3 1265 1 1 17 ALA HB3 H -2.240 5.986 0.439 1.00 . A A . 17 ALA HB3 1 1 3 1266 1 1 17 ALA N N -1.966 3.163 1.594 1.00 . A A . 17 ALA N 1 1 3 1267 1 1 17 ALA O O -0.942 6.374 2.269 1.00 . A A . 17 ALA O 1 1 3 1268 1 1 18 LEU C C 0.654 4.235 5.601 1.00 . A A . 18 LEU C 1 1 3 1269 1 1 18 LEU CA C 0.103 5.229 4.576 1.00 . A A . 18 LEU CA 1 1 3 1270 1 1 18 LEU CB C -1.063 6.070 5.101 1.00 . A A . 18 LEU CB 1 1 3 1271 1 1 18 LEU CD1 C -2.475 4.147 5.918 1.00 . A A . 18 LEU CD1 1 1 3 1272 1 1 18 LEU CD2 C -0.931 5.366 7.519 1.00 . A A . 18 LEU CD2 1 1 3 1273 1 1 18 LEU CG C -1.831 5.485 6.288 1.00 . A A . 18 LEU CG 1 1 3 1274 1 1 18 LEU H H -0.157 3.522 3.411 1.00 . A A . 18 LEU H 1 1 3 1275 1 1 18 LEU HA H 0.900 5.919 4.301 1.00 . A A . 18 LEU HA 1 1 3 1276 1 1 18 LEU HB2 H -0.678 7.048 5.389 1.00 . A A . 18 LEU HB2 1 1 3 1277 1 1 18 LEU HB3 H -1.765 6.232 4.283 1.00 . A A . 18 LEU HB3 1 1 3 1278 1 1 18 LEU HD11 H -2.299 3.938 4.863 1.00 . A A . 18 LEU HD11 1 1 3 1279 1 1 18 LEU HD12 H -2.038 3.353 6.524 1.00 . A A . 18 LEU HD12 1 1 3 1280 1 1 18 LEU HD13 H -3.548 4.197 6.104 1.00 . A A . 18 LEU HD13 1 1 3 1281 1 1 18 LEU HD21 H -0.800 4.314 7.773 1.00 . A A . 18 LEU HD21 1 1 3 1282 1 1 18 LEU HD22 H 0.041 5.811 7.303 1.00 . A A . 18 LEU HD22 1 1 3 1283 1 1 18 LEU HD23 H -1.391 5.888 8.358 1.00 . A A . 18 LEU HD23 1 1 3 1284 1 1 18 LEU HG H -2.638 6.171 6.544 1.00 . A A . 18 LEU HG 1 1 3 1285 1 1 18 LEU N N -0.287 4.512 3.374 1.00 . A A . 18 LEU N 1 1 3 1286 1 1 18 LEU O O 1.604 4.542 6.320 1.00 . A A . 18 LEU O 1 1 3 1287 1 1 19 SER C C 1.908 1.636 6.288 1.00 . A A . 19 SER C 1 1 3 1288 1 1 19 SER CA C 0.453 2.023 6.558 1.00 . A A . 19 SER CA 1 1 3 1289 1 1 19 SER CB C -0.452 0.795 6.449 1.00 . A A . 19 SER CB 1 1 3 1290 1 1 19 SER H H -0.735 2.822 5.045 1.00 . A A . 19 SER H 1 1 3 1291 1 1 19 SER HA H 0.352 2.461 7.551 1.00 . A A . 19 SER HA 1 1 3 1292 1 1 19 SER HB2 H -0.970 0.810 5.490 1.00 . A A . 19 SER HB2 1 1 3 1293 1 1 19 SER HB3 H 0.158 -0.108 6.467 1.00 . A A . 19 SER HB3 1 1 3 1294 1 1 19 SER HG H -1.098 1.294 8.276 1.00 . A A . 19 SER HG 1 1 3 1295 1 1 19 SER N N 0.036 3.064 5.634 1.00 . A A . 19 SER N 1 1 3 1296 1 1 19 SER O O 2.544 0.984 7.114 1.00 . A A . 19 SER O 1 1 3 1297 1 1 19 SER OG O -1.409 0.741 7.503 1.00 . A A . 19 SER OG 1 1 3 1298 1 1 20 LYS C C 4.716 2.663 5.521 1.00 . A A . 20 LYS C 1 1 3 1299 1 1 20 LYS CA C 3.761 1.759 4.738 1.00 . A A . 20 LYS CA 1 1 3 1300 1 1 20 LYS CB C 3.921 1.863 3.220 1.00 . A A . 20 LYS CB 1 1 3 1301 1 1 20 LYS CD C 1.980 0.254 3.157 1.00 . A A . 20 LYS CD 1 1 3 1302 1 1 20 LYS CE C 1.457 -0.719 2.099 1.00 . A A . 20 LYS CE 1 1 3 1303 1 1 20 LYS CG C 2.624 1.479 2.505 1.00 . A A . 20 LYS CG 1 1 3 1304 1 1 20 LYS H H 1.869 2.584 4.461 1.00 . A A . 20 LYS H 1 1 3 1305 1 1 20 LYS HA H 3.963 0.724 5.013 1.00 . A A . 20 LYS HA 1 1 3 1306 1 1 20 LYS HB2 H 4.202 2.881 2.949 1.00 . A A . 20 LYS HB2 1 1 3 1307 1 1 20 LYS HB3 H 4.729 1.211 2.890 1.00 . A A . 20 LYS HB3 1 1 3 1308 1 1 20 LYS HD2 H 2.709 -0.250 3.791 1.00 . A A . 20 LYS HD2 1 1 3 1309 1 1 20 LYS HD3 H 1.160 0.570 3.803 1.00 . A A . 20 LYS HD3 1 1 3 1310 1 1 20 LYS HE2 H 0.481 -0.389 1.743 1.00 . A A . 20 LYS HE2 1 1 3 1311 1 1 20 LYS HE3 H 2.125 -0.723 1.238 1.00 . A A . 20 LYS HE3 1 1 3 1312 1 1 20 LYS HG2 H 1.928 2.318 2.531 1.00 . A A . 20 LYS HG2 1 1 3 1313 1 1 20 LYS HG3 H 2.831 1.270 1.455 1.00 . A A . 20 LYS HG3 1 1 3 1314 1 1 20 LYS HZ1 H 2.201 -2.319 3.130 1.00 . A A . 20 LYS HZ1 1 1 3 1315 1 1 20 LYS HZ2 H 0.590 -2.122 3.306 1.00 . A A . 20 LYS HZ2 1 1 3 1316 1 1 20 LYS HZ3 H 1.190 -2.737 1.918 1.00 . A A . 20 LYS HZ3 1 1 3 1317 1 1 20 LYS N N 2.393 2.054 5.128 1.00 . A A . 20 LYS N 1 1 3 1318 1 1 20 LYS NZ N 1.351 -2.085 2.658 1.00 . A A . 20 LYS NZ 1 1 3 1319 1 1 20 LYS O O 5.898 2.353 5.658 1.00 . A A . 20 LYS O 1 1 3 1320 1 1 21 HIS C C 4.815 4.414 8.272 1.00 . A A . 21 HIS C 1 1 3 1321 1 1 21 HIS CA C 4.954 4.715 6.778 1.00 . A A . 21 HIS CA 1 1 3 1322 1 1 21 HIS CB C 4.565 6.152 6.424 1.00 . A A . 21 HIS CB 1 1 3 1323 1 1 21 HIS CD2 C 4.091 5.553 3.925 1.00 . A A . 21 HIS CD2 1 1 3 1324 1 1 21 HIS CE1 C 2.695 7.177 3.474 1.00 . A A . 21 HIS CE1 1 1 3 1325 1 1 21 HIS CG C 3.944 6.301 5.056 1.00 . A A . 21 HIS CG 1 1 3 1326 1 1 21 HIS H H 3.204 4.009 5.897 1.00 . A A . 21 HIS H 1 1 3 1327 1 1 21 HIS HA H 5.993 4.570 6.483 1.00 . A A . 21 HIS HA 1 1 3 1328 1 1 21 HIS HB2 H 3.863 6.522 7.172 1.00 . A A . 21 HIS HB2 1 1 3 1329 1 1 21 HIS HB3 H 5.452 6.782 6.480 1.00 . A A . 21 HIS HB3 1 1 3 1330 1 1 21 HIS HD1 H 2.748 8.035 5.362 1.00 . A A . 21 HIS HD1 1 1 3 1331 1 1 21 HIS HD2 H 4.721 4.669 3.822 1.00 . A A . 21 HIS HD2 1 1 3 1332 1 1 21 HIS HE1 H 2.006 7.822 2.930 1.00 . A A . 21 HIS HE1 1 1 3 1333 1 1 21 HIS HE2 H 3.293 5.770 2.022 1.00 . A A . 21 HIS HE2 1 1 3 1334 1 1 21 HIS N N 4.167 3.764 6.013 1.00 . A A . 21 HIS N 1 1 3 1335 1 1 21 HIS ND1 N 3.059 7.317 4.740 1.00 . A A . 21 HIS ND1 1 1 3 1336 1 1 21 HIS NE2 N 3.335 6.082 2.971 1.00 . A A . 21 HIS NE2 1 1 3 1337 1 1 21 HIS O O 5.706 4.730 9.059 1.00 . A A . 21 HIS O 1 1 3 1338 1 1 22 ILE C C 4.151 2.158 10.347 1.00 . A A . 22 ILE C 1 1 3 1339 1 1 22 ILE CA C 3.422 3.458 10.003 1.00 . A A . 22 ILE CA 1 1 3 1340 1 1 22 ILE CB C 1.914 3.405 10.260 1.00 . A A . 22 ILE CB 1 1 3 1341 1 1 22 ILE CD1 C -0.121 1.921 10.371 1.00 . A A . 22 ILE CD1 1 1 3 1342 1 1 22 ILE CG1 C 1.367 1.996 10.025 1.00 . A A . 22 ILE CG1 1 1 3 1343 1 1 22 ILE CG2 C 1.178 4.453 9.423 1.00 . A A . 22 ILE CG2 1 1 3 1344 1 1 22 ILE H H 2.970 3.552 7.971 1.00 . A A . 22 ILE H 1 1 3 1345 1 1 22 ILE HA H 3.827 4.257 10.624 1.00 . A A . 22 ILE HA 1 1 3 1346 1 1 22 ILE HB H 1.738 3.649 11.308 1.00 . A A . 22 ILE HB 1 1 3 1347 1 1 22 ILE HD11 H -0.480 0.904 10.214 1.00 . A A . 22 ILE HD11 1 1 3 1348 1 1 22 ILE HD12 H -0.266 2.200 11.415 1.00 . A A . 22 ILE HD12 1 1 3 1349 1 1 22 ILE HD13 H -0.678 2.605 9.731 1.00 . A A . 22 ILE HD13 1 1 3 1350 1 1 22 ILE HG12 H 1.517 1.713 8.983 1.00 . A A . 22 ILE HG12 1 1 3 1351 1 1 22 ILE HG13 H 1.922 1.281 10.632 1.00 . A A . 22 ILE HG13 1 1 3 1352 1 1 22 ILE HG21 H 0.184 4.617 9.838 1.00 . A A . 22 ILE HG21 1 1 3 1353 1 1 22 ILE HG22 H 1.737 5.389 9.438 1.00 . A A . 22 ILE HG22 1 1 3 1354 1 1 22 ILE HG23 H 1.089 4.100 8.395 1.00 . A A . 22 ILE HG23 1 1 3 1355 1 1 22 ILE N N 3.689 3.806 8.617 1.00 . A A . 22 ILE N 1 1 3 1356 1 1 22 ILE O O 4.565 1.958 11.488 1.00 . A A . 22 ILE O 1 1 3 1357 1 1 23 LYS C C 6.470 0.252 9.523 1.00 . A A . 23 LYS C 1 1 3 1358 1 1 23 LYS CA C 4.956 0.031 9.523 1.00 . A A . 23 LYS CA 1 1 3 1359 1 1 23 LYS CB C 4.481 -0.978 8.476 1.00 . A A . 23 LYS CB 1 1 3 1360 1 1 23 LYS CD C 3.810 -2.586 10.299 1.00 . A A . 23 LYS CD 1 1 3 1361 1 1 23 LYS CE C 2.954 -2.178 11.500 1.00 . A A . 23 LYS CE 1 1 3 1362 1 1 23 LYS CG C 3.359 -1.858 9.032 1.00 . A A . 23 LYS CG 1 1 3 1363 1 1 23 LYS H H 3.944 1.477 8.416 1.00 . A A . 23 LYS H 1 1 3 1364 1 1 23 LYS HA H 4.663 -0.355 10.500 1.00 . A A . 23 LYS HA 1 1 3 1365 1 1 23 LYS HB2 H 4.130 -0.451 7.589 1.00 . A A . 23 LYS HB2 1 1 3 1366 1 1 23 LYS HB3 H 5.318 -1.604 8.164 1.00 . A A . 23 LYS HB3 1 1 3 1367 1 1 23 LYS HD2 H 3.741 -3.664 10.148 1.00 . A A . 23 LYS HD2 1 1 3 1368 1 1 23 LYS HD3 H 4.857 -2.360 10.501 1.00 . A A . 23 LYS HD3 1 1 3 1369 1 1 23 LYS HE2 H 3.487 -1.440 12.100 1.00 . A A . 23 LYS HE2 1 1 3 1370 1 1 23 LYS HE3 H 2.035 -1.705 11.155 1.00 . A A . 23 LYS HE3 1 1 3 1371 1 1 23 LYS HG2 H 2.486 -1.243 9.252 1.00 . A A . 23 LYS HG2 1 1 3 1372 1 1 23 LYS HG3 H 3.055 -2.585 8.279 1.00 . A A . 23 LYS HG3 1 1 3 1373 1 1 23 LYS HZ1 H 1.946 -3.108 13.016 1.00 . A A . 23 LYS HZ1 1 1 3 1374 1 1 23 LYS HZ2 H 2.265 -4.087 11.748 1.00 . A A . 23 LYS HZ2 1 1 3 1375 1 1 23 LYS HZ3 H 3.457 -3.683 12.789 1.00 . A A . 23 LYS HZ3 1 1 3 1376 1 1 23 LYS N N 4.284 1.307 9.341 1.00 . A A . 23 LYS N 1 1 3 1377 1 1 23 LYS NZ N 2.629 -3.360 12.330 1.00 . A A . 23 LYS NZ 1 1 3 1378 1 1 23 LYS O O 7.239 -0.692 9.696 1.00 . A A . 23 LYS O 1 1 3 1379 1 1 24 THR C C 8.425 3.382 9.230 1.00 . A A . 24 THR C 1 1 3 1380 1 1 24 THR CA C 8.261 1.862 9.302 1.00 . A A . 24 THR CA 1 1 3 1381 1 1 24 THR CB C 8.915 1.125 8.132 1.00 . A A . 24 THR CB 1 1 3 1382 1 1 24 THR CG2 C 8.358 1.565 6.777 1.00 . A A . 24 THR CG2 1 1 3 1383 1 1 24 THR H H 6.221 2.268 9.187 1.00 . A A . 24 THR H 1 1 3 1384 1 1 24 THR HA H 8.715 1.536 10.237 1.00 . A A . 24 THR HA 1 1 3 1385 1 1 24 THR HB H 8.829 0.045 8.255 1.00 . A A . 24 THR HB 1 1 3 1386 1 1 24 THR HG1 H 10.878 0.882 8.438 1.00 . A A . 24 THR HG1 1 1 3 1387 1 1 24 THR HG21 H 7.679 2.407 6.919 1.00 . A A . 24 THR HG21 1 1 3 1388 1 1 24 THR HG22 H 9.179 1.867 6.127 1.00 . A A . 24 THR HG22 1 1 3 1389 1 1 24 THR HG23 H 7.818 0.737 6.319 1.00 . A A . 24 THR HG23 1 1 3 1390 1 1 24 THR N N 6.853 1.506 9.327 1.00 . A A . 24 THR N 1 1 3 1391 1 1 24 THR O O 7.815 4.113 10.008 1.00 . A A . 24 THR O 1 1 3 1392 1 1 24 THR OG1 O 10.258 1.602 8.127 1.00 . A A . 24 THR OG1 1 1 3 1393 1 1 25 ALA C C 10.717 5.415 7.190 1.00 . A A . 25 ALA C 1 1 3 1394 1 1 25 ALA CA C 9.503 5.231 8.104 1.00 . A A . 25 ALA CA 1 1 3 1395 1 1 25 ALA CB C 9.694 5.897 9.468 1.00 . A A . 25 ALA CB 1 1 3 1396 1 1 25 ALA H H 9.744 3.210 7.658 1.00 . A A . 25 ALA H 1 1 3 1397 1 1 25 ALA HA H 8.627 5.664 7.621 1.00 . A A . 25 ALA HA 1 1 3 1398 1 1 25 ALA HB1 H 9.935 5.138 10.212 1.00 . A A . 25 ALA HB1 1 1 3 1399 1 1 25 ALA HB2 H 10.509 6.619 9.409 1.00 . A A . 25 ALA HB2 1 1 3 1400 1 1 25 ALA HB3 H 8.775 6.408 9.754 1.00 . A A . 25 ALA HB3 1 1 3 1401 1 1 25 ALA N N 9.252 3.812 8.288 1.00 . A A . 25 ALA N 1 1 3 1402 1 1 25 ALA O O 11.729 5.980 7.603 1.00 . A A . 25 ALA O 1 1 3 1403 1 1 26 PHE C C 11.244 4.388 3.663 1.00 . A A . 26 PHE C 1 1 3 1404 1 1 26 PHE CA C 11.648 5.031 4.991 1.00 . A A . 26 PHE CA 1 1 3 1405 1 1 26 PHE CB C 12.849 4.277 5.565 1.00 . A A . 26 PHE CB 1 1 3 1406 1 1 26 PHE CD1 C 11.418 2.226 5.431 1.00 . A A . 26 PHE CD1 1 1 3 1407 1 1 26 PHE CD2 C 13.692 1.956 5.980 1.00 . A A . 26 PHE CD2 1 1 3 1408 1 1 26 PHE CE1 C 11.229 0.822 5.521 1.00 . A A . 26 PHE CE1 1 1 3 1409 1 1 26 PHE CE2 C 13.503 0.551 6.070 1.00 . A A . 26 PHE CE2 1 1 3 1410 1 1 26 PHE CG C 12.645 2.764 5.662 1.00 . A A . 26 PHE CG 1 1 3 1411 1 1 26 PHE CZ C 12.276 0.014 5.839 1.00 . A A . 26 PHE CZ 1 1 3 1412 1 1 26 PHE H H 9.749 4.469 5.639 1.00 . A A . 26 PHE H 1 1 3 1413 1 1 26 PHE HA H 11.842 6.092 4.835 1.00 . A A . 26 PHE HA 1 1 3 1414 1 1 26 PHE HB2 H 13.722 4.477 4.943 1.00 . A A . 26 PHE HB2 1 1 3 1415 1 1 26 PHE HB3 H 13.070 4.668 6.559 1.00 . A A . 26 PHE HB3 1 1 3 1416 1 1 26 PHE HD1 H 10.579 2.874 5.176 1.00 . A A . 26 PHE HD1 1 1 3 1417 1 1 26 PHE HD2 H 14.676 2.386 6.165 1.00 . A A . 26 PHE HD2 1 1 3 1418 1 1 26 PHE HE1 H 10.245 0.391 5.335 1.00 . A A . 26 PHE HE1 1 1 3 1419 1 1 26 PHE HE2 H 14.342 -0.096 6.325 1.00 . A A . 26 PHE HE2 1 1 3 1420 1 1 26 PHE HZ H 12.131 -1.064 5.908 1.00 . A A . 26 PHE HZ 1 1 3 1421 1 1 26 PHE N N 10.576 4.927 5.966 1.00 . A A . 26 PHE N 1 1 3 1422 1 1 26 PHE O O 10.058 4.242 3.375 1.00 . A A . 26 PHE O 1 1 3 1423 1 1 27 ILE C C 12.912 2.161 1.464 1.00 . A A . 27 ILE C 1 1 3 1424 1 1 27 ILE CA C 12.021 3.397 1.597 1.00 . A A . 27 ILE CA 1 1 3 1425 1 1 27 ILE CB C 12.208 4.414 0.469 1.00 . A A . 27 ILE CB 1 1 3 1426 1 1 27 ILE CD1 C 14.269 4.277 -0.977 1.00 . A A . 27 ILE CD1 1 1 3 1427 1 1 27 ILE CG1 C 13.678 4.813 0.328 1.00 . A A . 27 ILE CG1 1 1 3 1428 1 1 27 ILE CG2 C 11.301 5.630 0.671 1.00 . A A . 27 ILE CG2 1 1 3 1429 1 1 27 ILE H H 13.218 4.144 3.130 1.00 . A A . 27 ILE H 1 1 3 1430 1 1 27 ILE HA H 10.979 3.077 1.574 1.00 . A A . 27 ILE HA 1 1 3 1431 1 1 27 ILE HB H 11.911 3.943 -0.468 1.00 . A A . 27 ILE HB 1 1 3 1432 1 1 27 ILE HD11 H 13.470 4.123 -1.702 1.00 . A A . 27 ILE HD11 1 1 3 1433 1 1 27 ILE HD12 H 14.986 4.996 -1.374 1.00 . A A . 27 ILE HD12 1 1 3 1434 1 1 27 ILE HD13 H 14.773 3.329 -0.785 1.00 . A A . 27 ILE HD13 1 1 3 1435 1 1 27 ILE HG12 H 13.768 5.899 0.353 1.00 . A A . 27 ILE HG12 1 1 3 1436 1 1 27 ILE HG13 H 14.246 4.427 1.175 1.00 . A A . 27 ILE HG13 1 1 3 1437 1 1 27 ILE HG21 H 11.420 6.007 1.686 1.00 . A A . 27 ILE HG21 1 1 3 1438 1 1 27 ILE HG22 H 11.574 6.409 -0.041 1.00 . A A . 27 ILE HG22 1 1 3 1439 1 1 27 ILE HG23 H 10.262 5.339 0.511 1.00 . A A . 27 ILE HG23 1 1 3 1440 1 1 27 ILE N N 12.255 4.021 2.889 1.00 . A A . 27 ILE N 1 1 3 1441 1 1 27 ILE O O 14.040 2.253 0.983 1.00 . A A . 27 ILE O 1 1 3 1442 1 1 28 VAL C C 12.128 -1.387 2.018 1.00 . A A . 28 VAL C 1 1 3 1443 1 1 28 VAL CA C 13.103 -0.222 1.835 1.00 . A A . 28 VAL CA 1 1 3 1444 1 1 28 VAL CB C 14.234 -0.221 2.865 1.00 . A A . 28 VAL CB 1 1 3 1445 1 1 28 VAL CG1 C 14.618 -1.649 3.259 1.00 . A A . 28 VAL CG1 1 1 3 1446 1 1 28 VAL CG2 C 15.449 0.550 2.346 1.00 . A A . 28 VAL CG2 1 1 3 1447 1 1 28 VAL H H 11.453 0.965 2.290 1.00 . A A . 28 VAL H 1 1 3 1448 1 1 28 VAL HA H 13.550 -0.291 0.843 1.00 . A A . 28 VAL HA 1 1 3 1449 1 1 28 VAL HB H 13.872 0.287 3.759 1.00 . A A . 28 VAL HB 1 1 3 1450 1 1 28 VAL HG11 H 14.297 -2.340 2.479 1.00 . A A . 28 VAL HG11 1 1 3 1451 1 1 28 VAL HG12 H 15.699 -1.714 3.379 1.00 . A A . 28 VAL HG12 1 1 3 1452 1 1 28 VAL HG13 H 14.131 -1.911 4.198 1.00 . A A . 28 VAL HG13 1 1 3 1453 1 1 28 VAL HG21 H 16.358 0.129 2.775 1.00 . A A . 28 VAL HG21 1 1 3 1454 1 1 28 VAL HG22 H 15.491 0.473 1.259 1.00 . A A . 28 VAL HG22 1 1 3 1455 1 1 28 VAL HG23 H 15.363 1.598 2.632 1.00 . A A . 28 VAL HG23 1 1 3 1456 1 1 28 VAL N N 12.371 1.032 1.899 1.00 . A A . 28 VAL N 1 1 3 1457 1 1 28 VAL O O 12.160 -2.353 1.258 1.00 . A A . 28 VAL O 1 1 3 1458 1 1 29 VAL C C 8.927 -1.638 3.497 1.00 . A A . 29 VAL C 1 1 3 1459 1 1 29 VAL CA C 10.302 -2.286 3.324 1.00 . A A . 29 VAL CA 1 1 3 1460 1 1 29 VAL CB C 10.740 -3.095 4.547 1.00 . A A . 29 VAL CB 1 1 3 1461 1 1 29 VAL CG1 C 9.807 -4.285 4.780 1.00 . A A . 29 VAL CG1 1 1 3 1462 1 1 29 VAL CG2 C 12.192 -3.556 4.407 1.00 . A A . 29 VAL CG2 1 1 3 1463 1 1 29 VAL H H 11.265 -0.467 3.645 1.00 . A A . 29 VAL H 1 1 3 1464 1 1 29 VAL HA H 10.267 -2.960 2.468 1.00 . A A . 29 VAL HA 1 1 3 1465 1 1 29 VAL HB H 10.677 -2.445 5.419 1.00 . A A . 29 VAL HB 1 1 3 1466 1 1 29 VAL HG11 H 10.369 -5.105 5.227 1.00 . A A . 29 VAL HG11 1 1 3 1467 1 1 29 VAL HG12 H 9.001 -3.989 5.451 1.00 . A A . 29 VAL HG12 1 1 3 1468 1 1 29 VAL HG13 H 9.387 -4.609 3.828 1.00 . A A . 29 VAL HG13 1 1 3 1469 1 1 29 VAL HG21 H 12.560 -3.303 3.413 1.00 . A A . 29 VAL HG21 1 1 3 1470 1 1 29 VAL HG22 H 12.805 -3.059 5.159 1.00 . A A . 29 VAL HG22 1 1 3 1471 1 1 29 VAL HG23 H 12.246 -4.635 4.551 1.00 . A A . 29 VAL HG23 1 1 3 1472 1 1 29 VAL N N 11.284 -1.257 3.031 1.00 . A A . 29 VAL N 1 1 3 1473 1 1 29 VAL O O 7.965 -2.306 3.875 1.00 . A A . 29 VAL O 1 1 3 1474 1 1 30 ALA C C 6.744 0.094 2.127 1.00 . A A . 30 ALA C 1 1 3 1475 1 1 30 ALA CA C 7.635 0.400 3.332 1.00 . A A . 30 ALA CA 1 1 3 1476 1 1 30 ALA CB C 7.946 1.892 3.464 1.00 . A A . 30 ALA CB 1 1 3 1477 1 1 30 ALA H H 9.664 0.190 2.906 1.00 . A A . 30 ALA H 1 1 3 1478 1 1 30 ALA HA H 7.133 0.065 4.240 1.00 . A A . 30 ALA HA 1 1 3 1479 1 1 30 ALA HB1 H 7.053 2.422 3.793 1.00 . A A . 30 ALA HB1 1 1 3 1480 1 1 30 ALA HB2 H 8.743 2.035 4.194 1.00 . A A . 30 ALA HB2 1 1 3 1481 1 1 30 ALA HB3 H 8.265 2.283 2.497 1.00 . A A . 30 ALA HB3 1 1 3 1482 1 1 30 ALA N N 8.877 -0.345 3.213 1.00 . A A . 30 ALA N 1 1 3 1483 1 1 30 ALA O O 5.752 -0.623 2.251 1.00 . A A . 30 ALA O 1 1 3 1484 1 1 31 LEU C C 7.260 0.796 -1.436 1.00 . A A . 31 LEU C 1 1 3 1485 1 1 31 LEU CA C 6.376 0.449 -0.237 1.00 . A A . 31 LEU CA 1 1 3 1486 1 1 31 LEU CB C 5.061 1.230 -0.195 1.00 . A A . 31 LEU CB 1 1 3 1487 1 1 31 LEU CD1 C 3.694 3.183 -1.018 1.00 . A A . 31 LEU CD1 1 1 3 1488 1 1 31 LEU CD2 C 5.918 3.579 0.137 1.00 . A A . 31 LEU CD2 1 1 3 1489 1 1 31 LEU CG C 5.106 2.649 -0.766 1.00 . A A . 31 LEU CG 1 1 3 1490 1 1 31 LEU H H 7.936 1.235 0.898 1.00 . A A . 31 LEU H 1 1 3 1491 1 1 31 LEU HA H 6.121 -0.609 -0.291 1.00 . A A . 31 LEU HA 1 1 3 1492 1 1 31 LEU HB2 H 4.307 0.663 -0.741 1.00 . A A . 31 LEU HB2 1 1 3 1493 1 1 31 LEU HB3 H 4.729 1.288 0.841 1.00 . A A . 31 LEU HB3 1 1 3 1494 1 1 31 LEU HD11 H 3.637 4.223 -0.698 1.00 . A A . 31 LEU HD11 1 1 3 1495 1 1 31 LEU HD12 H 3.465 3.117 -2.082 1.00 . A A . 31 LEU HD12 1 1 3 1496 1 1 31 LEU HD13 H 2.975 2.589 -0.454 1.00 . A A . 31 LEU HD13 1 1 3 1497 1 1 31 LEU HD21 H 6.951 3.236 0.177 1.00 . A A . 31 LEU HD21 1 1 3 1498 1 1 31 LEU HD22 H 5.887 4.593 -0.263 1.00 . A A . 31 LEU HD22 1 1 3 1499 1 1 31 LEU HD23 H 5.493 3.572 1.141 1.00 . A A . 31 LEU HD23 1 1 3 1500 1 1 31 LEU HG H 5.613 2.613 -1.730 1.00 . A A . 31 LEU HG 1 1 3 1501 1 1 31 LEU N N 7.128 0.653 0.990 1.00 . A A . 31 LEU N 1 1 3 1502 1 1 31 LEU O O 8.446 1.083 -1.276 1.00 . A A . 31 LEU O 1 1 3 1503 1 1 32 GLY C C 6.798 0.276 -5.017 1.00 . A A . 32 GLY C 1 1 3 1504 1 1 32 GLY CA C 7.366 1.067 -3.837 1.00 . A A . 32 GLY CA 1 1 3 1505 1 1 32 GLY H H 5.684 0.526 -2.733 1.00 . A A . 32 GLY H 1 1 3 1506 1 1 32 GLY HA2 H 7.298 2.135 -4.044 1.00 . A A . 32 GLY HA2 1 1 3 1507 1 1 32 GLY HA3 H 8.423 0.833 -3.713 1.00 . A A . 32 GLY HA3 1 1 3 1508 1 1 32 GLY N N 6.649 0.760 -2.611 1.00 . A A . 32 GLY N 1 1 3 1509 1 1 32 GLY O O 5.824 0.697 -5.640 1.00 . A A . 32 GLY O 1 1 4 1510 1 1 1 TYR C C -12.682 -3.408 -13.781 1.00 . A A . 1 TYR C 1 1 4 1511 1 1 1 TYR CA C -12.004 -2.410 -12.840 1.00 . A A . 1 TYR CA 1 1 4 1512 1 1 1 TYR CB C -12.650 -2.511 -11.457 1.00 . A A . 1 TYR CB 1 1 4 1513 1 1 1 TYR CD1 C -10.848 -3.743 -10.198 1.00 . A A . 1 TYR CD1 1 1 4 1514 1 1 1 TYR CD2 C -13.026 -4.721 -10.304 1.00 . A A . 1 TYR CD2 1 1 4 1515 1 1 1 TYR CE1 C -10.385 -4.860 -9.415 1.00 . A A . 1 TYR CE1 1 1 4 1516 1 1 1 TYR CE2 C -12.564 -5.837 -9.521 1.00 . A A . 1 TYR CE2 1 1 4 1517 1 1 1 TYR CG C -12.159 -3.697 -10.626 1.00 . A A . 1 TYR CG 1 1 4 1518 1 1 1 TYR CZ C -11.266 -5.852 -9.115 1.00 . A A . 1 TYR CZ 1 1 4 1519 1 1 1 TYR H1 H -12.179 -0.352 -12.566 1.00 . A A . 1 TYR H1 1 1 4 1520 1 1 1 TYR HA H -10.930 -2.595 -12.838 1.00 . A A . 1 TYR HA 1 1 4 1521 1 1 1 TYR HB2 H -12.455 -1.589 -10.908 1.00 . A A . 1 TYR HB2 1 1 4 1522 1 1 1 TYR HB3 H -13.731 -2.587 -11.577 1.00 . A A . 1 TYR HB3 1 1 4 1523 1 1 1 TYR HD1 H -10.162 -2.935 -10.452 1.00 . A A . 1 TYR HD1 1 1 4 1524 1 1 1 TYR HD2 H -14.062 -4.684 -10.642 1.00 . A A . 1 TYR HD2 1 1 4 1525 1 1 1 TYR HE1 H -9.352 -4.909 -9.070 1.00 . A A . 1 TYR HE1 1 1 4 1526 1 1 1 TYR HE2 H -13.238 -6.653 -9.260 1.00 . A A . 1 TYR HE2 1 1 4 1527 1 1 1 TYR HH H -10.039 -6.635 -7.826 1.00 . A A . 1 TYR HH 1 1 4 1528 1 1 1 TYR N N -12.223 -1.044 -13.286 1.00 . A A . 1 TYR N 1 1 4 1529 1 1 1 TYR O O -13.458 -3.018 -14.652 1.00 . A A . 1 TYR O 1 1 4 1530 1 1 1 TYR OH O -10.829 -6.907 -8.376 1.00 . A A . 1 TYR OH 1 1 4 1531 1 1 2 ALA C C -12.403 -7.088 -13.909 1.00 . A A . 2 ALA C 1 1 4 1532 1 1 2 ALA CA C -12.932 -5.735 -14.391 1.00 . A A . 2 ALA CA 1 1 4 1533 1 1 2 ALA CB C -12.606 -5.473 -15.863 1.00 . A A . 2 ALA CB 1 1 4 1534 1 1 2 ALA H H -11.732 -4.987 -12.862 1.00 . A A . 2 ALA H 1 1 4 1535 1 1 2 ALA HA H -14.014 -5.710 -14.262 1.00 . A A . 2 ALA HA 1 1 4 1536 1 1 2 ALA HB1 H -13.389 -4.858 -16.305 1.00 . A A . 2 ALA HB1 1 1 4 1537 1 1 2 ALA HB2 H -11.651 -4.954 -15.937 1.00 . A A . 2 ALA HB2 1 1 4 1538 1 1 2 ALA HB3 H -12.546 -6.422 -16.396 1.00 . A A . 2 ALA HB3 1 1 4 1539 1 1 2 ALA N N -12.364 -4.678 -13.573 1.00 . A A . 2 ALA N 1 1 4 1540 1 1 2 ALA O O -13.163 -8.047 -13.786 1.00 . A A . 2 ALA O 1 1 4 1541 1 1 3 PHE C C -9.062 -8.051 -12.645 1.00 . A A . 3 PHE C 1 1 4 1542 1 1 3 PHE CA C -10.466 -8.339 -13.181 1.00 . A A . 3 PHE CA 1 1 4 1543 1 1 3 PHE CB C -10.356 -9.276 -14.386 1.00 . A A . 3 PHE CB 1 1 4 1544 1 1 3 PHE CD1 C -9.677 -7.869 -16.343 1.00 . A A . 3 PHE CD1 1 1 4 1545 1 1 3 PHE CD2 C -8.097 -9.377 -15.462 1.00 . A A . 3 PHE CD2 1 1 4 1546 1 1 3 PHE CE1 C -8.734 -7.449 -17.317 1.00 . A A . 3 PHE CE1 1 1 4 1547 1 1 3 PHE CE2 C -7.153 -8.957 -16.436 1.00 . A A . 3 PHE CE2 1 1 4 1548 1 1 3 PHE CG C -9.339 -8.824 -15.436 1.00 . A A . 3 PHE CG 1 1 4 1549 1 1 3 PHE CZ C -7.491 -8.002 -17.343 1.00 . A A . 3 PHE CZ 1 1 4 1550 1 1 3 PHE H H -10.494 -6.335 -13.750 1.00 . A A . 3 PHE H 1 1 4 1551 1 1 3 PHE HA H -11.084 -8.742 -12.379 1.00 . A A . 3 PHE HA 1 1 4 1552 1 1 3 PHE HB2 H -10.083 -10.271 -14.035 1.00 . A A . 3 PHE HB2 1 1 4 1553 1 1 3 PHE HB3 H -11.336 -9.362 -14.857 1.00 . A A . 3 PHE HB3 1 1 4 1554 1 1 3 PHE HD1 H -10.673 -7.425 -16.322 1.00 . A A . 3 PHE HD1 1 1 4 1555 1 1 3 PHE HD2 H -7.826 -10.142 -14.734 1.00 . A A . 3 PHE HD2 1 1 4 1556 1 1 3 PHE HE1 H -9.005 -6.683 -18.044 1.00 . A A . 3 PHE HE1 1 1 4 1557 1 1 3 PHE HE2 H -6.158 -9.400 -16.457 1.00 . A A . 3 PHE HE2 1 1 4 1558 1 1 3 PHE HZ H -6.767 -7.680 -18.091 1.00 . A A . 3 PHE HZ 1 1 4 1559 1 1 3 PHE N N -11.105 -7.120 -13.648 1.00 . A A . 3 PHE N 1 1 4 1560 1 1 3 PHE O O -8.695 -8.524 -11.570 1.00 . A A . 3 PHE O 1 1 4 1561 1 1 4 ALA C C -6.384 -5.942 -14.060 1.00 . A A . 4 ALA C 1 1 4 1562 1 1 4 ALA CA C -6.959 -6.921 -13.034 1.00 . A A . 4 ALA CA 1 1 4 1563 1 1 4 ALA CB C -6.115 -8.190 -12.903 1.00 . A A . 4 ALA CB 1 1 4 1564 1 1 4 ALA H H -8.621 -6.897 -14.291 1.00 . A A . 4 ALA H 1 1 4 1565 1 1 4 ALA HA H -7.008 -6.429 -12.062 1.00 . A A . 4 ALA HA 1 1 4 1566 1 1 4 ALA HB1 H -6.676 -8.943 -12.349 1.00 . A A . 4 ALA HB1 1 1 4 1567 1 1 4 ALA HB2 H -5.877 -8.572 -13.895 1.00 . A A . 4 ALA HB2 1 1 4 1568 1 1 4 ALA HB3 H -5.193 -7.959 -12.370 1.00 . A A . 4 ALA HB3 1 1 4 1569 1 1 4 ALA N N -8.315 -7.277 -13.418 1.00 . A A . 4 ALA N 1 1 4 1570 1 1 4 ALA O O -5.299 -6.164 -14.594 1.00 . A A . 4 ALA O 1 1 4 1571 1 1 5 CYS C C -5.596 -3.042 -14.616 1.00 . A A . 5 CYS C 1 1 4 1572 1 1 5 CYS CA C -6.716 -3.866 -15.255 1.00 . A A . 5 CYS CA 1 1 4 1573 1 1 5 CYS CB C -7.886 -2.988 -15.702 1.00 . A A . 5 CYS CB 1 1 4 1574 1 1 5 CYS H H -8.019 -4.706 -13.864 1.00 . A A . 5 CYS H 1 1 4 1575 1 1 5 CYS HA H -6.352 -4.395 -16.136 1.00 . A A . 5 CYS HA 1 1 4 1576 1 1 5 CYS HB2 H -8.727 -3.112 -15.019 1.00 . A A . 5 CYS HB2 1 1 4 1577 1 1 5 CYS HB3 H -7.599 -1.937 -15.665 1.00 . A A . 5 CYS HB3 1 1 4 1578 1 1 5 CYS HG H -8.188 -2.234 -17.931 1.00 . A A . 5 CYS HG 1 1 4 1579 1 1 5 CYS N N -7.137 -4.879 -14.303 1.00 . A A . 5 CYS N 1 1 4 1580 1 1 5 CYS O O -4.523 -2.889 -15.197 1.00 . A A . 5 CYS O 1 1 4 1581 1 1 5 CYS SG S -8.392 -3.437 -17.403 1.00 . A A . 5 CYS SG 1 1 4 1582 1 1 6 PRO C C -3.825 -2.592 -12.067 1.00 . A A . 6 PRO C 1 1 4 1583 1 1 6 PRO CA C -4.923 -1.715 -12.671 1.00 . A A . 6 PRO CA 1 1 4 1584 1 1 6 PRO CB C -5.735 -0.973 -11.621 1.00 . A A . 6 PRO CB 1 1 4 1585 1 1 6 PRO CD C -7.153 -2.680 -12.676 1.00 . A A . 6 PRO CD 1 1 4 1586 1 1 6 PRO CG C -7.044 -1.734 -11.492 1.00 . A A . 6 PRO CG 1 1 4 1587 1 1 6 PRO HA H -4.459 -1.086 -13.294 1.00 . A A . 6 PRO HA 1 1 4 1588 1 1 6 PRO HB2 H -5.205 -0.941 -10.669 1.00 . A A . 6 PRO HB2 1 1 4 1589 1 1 6 PRO HB3 H -5.911 0.060 -11.922 1.00 . A A . 6 PRO HB3 1 1 4 1590 1 1 6 PRO HD2 H -7.293 -3.710 -12.349 1.00 . A A . 6 PRO HD2 1 1 4 1591 1 1 6 PRO HD3 H -8.004 -2.428 -13.308 1.00 . A A . 6 PRO HD3 1 1 4 1592 1 1 6 PRO HG2 H -7.071 -2.291 -10.555 1.00 . A A . 6 PRO HG2 1 1 4 1593 1 1 6 PRO HG3 H -7.887 -1.043 -11.476 1.00 . A A . 6 PRO HG3 1 1 4 1594 1 1 6 PRO N N -5.892 -2.520 -13.396 1.00 . A A . 6 PRO N 1 1 4 1595 1 1 6 PRO O O -2.788 -2.088 -11.638 1.00 . A A . 6 PRO O 1 1 4 1596 1 1 7 ALA C C -3.325 -4.938 -9.994 1.00 . A A . 7 ALA C 1 1 4 1597 1 1 7 ALA CA C -3.136 -4.843 -11.509 1.00 . A A . 7 ALA CA 1 1 4 1598 1 1 7 ALA CB C -1.716 -4.421 -11.894 1.00 . A A . 7 ALA CB 1 1 4 1599 1 1 7 ALA H H -4.935 -4.293 -12.404 1.00 . A A . 7 ALA H 1 1 4 1600 1 1 7 ALA HA H -3.346 -5.815 -11.955 1.00 . A A . 7 ALA HA 1 1 4 1601 1 1 7 ALA HB1 H -1.065 -5.295 -11.895 1.00 . A A . 7 ALA HB1 1 1 4 1602 1 1 7 ALA HB2 H -1.727 -3.975 -12.889 1.00 . A A . 7 ALA HB2 1 1 4 1603 1 1 7 ALA HB3 H -1.346 -3.692 -11.173 1.00 . A A . 7 ALA HB3 1 1 4 1604 1 1 7 ALA N N -4.089 -3.891 -12.053 1.00 . A A . 7 ALA N 1 1 4 1605 1 1 7 ALA O O -3.467 -6.032 -9.450 1.00 . A A . 7 ALA O 1 1 4 1606 1 1 8 CYS C C -4.964 -3.440 -7.614 1.00 . A A . 8 CYS C 1 1 4 1607 1 1 8 CYS CA C -3.489 -3.716 -7.913 1.00 . A A . 8 CYS CA 1 1 4 1608 1 1 8 CYS CB C -2.573 -2.667 -7.280 1.00 . A A . 8 CYS CB 1 1 4 1609 1 1 8 CYS H H -3.203 -2.892 -9.805 1.00 . A A . 8 CYS H 1 1 4 1610 1 1 8 CYS HA H -3.190 -4.688 -7.521 1.00 . A A . 8 CYS HA 1 1 4 1611 1 1 8 CYS HB2 H -1.952 -2.204 -8.047 1.00 . A A . 8 CYS HB2 1 1 4 1612 1 1 8 CYS HB3 H -3.170 -1.873 -6.831 1.00 . A A . 8 CYS HB3 1 1 4 1613 1 1 8 CYS HG H -1.302 -2.338 -5.304 1.00 . A A . 8 CYS HG 1 1 4 1614 1 1 8 CYS N N -3.320 -3.777 -9.355 1.00 . A A . 8 CYS N 1 1 4 1615 1 1 8 CYS O O -5.666 -2.846 -8.430 1.00 . A A . 8 CYS O 1 1 4 1616 1 1 8 CYS SG S -1.514 -3.447 -6.007 1.00 . A A . 8 CYS SG 1 1 4 1617 1 1 9 PRO C C -7.029 -2.257 -5.571 1.00 . A A . 9 PRO C 1 1 4 1618 1 1 9 PRO CA C -6.780 -3.707 -5.993 1.00 . A A . 9 PRO CA 1 1 4 1619 1 1 9 PRO CB C -6.990 -4.699 -4.860 1.00 . A A . 9 PRO CB 1 1 4 1620 1 1 9 PRO CD C -4.598 -4.607 -5.418 1.00 . A A . 9 PRO CD 1 1 4 1621 1 1 9 PRO CG C -5.600 -5.079 -4.376 1.00 . A A . 9 PRO CG 1 1 4 1622 1 1 9 PRO HA H -7.401 -3.880 -6.757 1.00 . A A . 9 PRO HA 1 1 4 1623 1 1 9 PRO HB2 H -7.576 -4.255 -4.056 1.00 . A A . 9 PRO HB2 1 1 4 1624 1 1 9 PRO HB3 H -7.536 -5.577 -5.206 1.00 . A A . 9 PRO HB3 1 1 4 1625 1 1 9 PRO HD2 H -3.846 -3.953 -4.977 1.00 . A A . 9 PRO HD2 1 1 4 1626 1 1 9 PRO HD3 H -4.067 -5.447 -5.866 1.00 . A A . 9 PRO HD3 1 1 4 1627 1 1 9 PRO HG2 H -5.392 -4.617 -3.411 1.00 . A A . 9 PRO HG2 1 1 4 1628 1 1 9 PRO HG3 H -5.525 -6.157 -4.237 1.00 . A A . 9 PRO HG3 1 1 4 1629 1 1 9 PRO N N -5.401 -3.898 -6.410 1.00 . A A . 9 PRO N 1 1 4 1630 1 1 9 PRO O O -6.249 -1.367 -5.905 1.00 . A A . 9 PRO O 1 1 4 1631 1 1 10 LYS C C -8.455 -0.721 -2.844 1.00 . A A . 10 LYS C 1 1 4 1632 1 1 10 LYS CA C -8.482 -0.739 -4.373 1.00 . A A . 10 LYS CA 1 1 4 1633 1 1 10 LYS CB C -9.823 -0.307 -4.970 1.00 . A A . 10 LYS CB 1 1 4 1634 1 1 10 LYS CD C -11.037 -0.438 -7.176 1.00 . A A . 10 LYS CD 1 1 4 1635 1 1 10 LYS CE C -12.116 0.581 -6.803 1.00 . A A . 10 LYS CE 1 1 4 1636 1 1 10 LYS CG C -9.712 -0.113 -6.483 1.00 . A A . 10 LYS CG 1 1 4 1637 1 1 10 LYS H H -8.749 -2.795 -4.577 1.00 . A A . 10 LYS H 1 1 4 1638 1 1 10 LYS HA H -7.726 -0.045 -4.741 1.00 . A A . 10 LYS HA 1 1 4 1639 1 1 10 LYS HB2 H -10.582 -1.057 -4.750 1.00 . A A . 10 LYS HB2 1 1 4 1640 1 1 10 LYS HB3 H -10.149 0.623 -4.503 1.00 . A A . 10 LYS HB3 1 1 4 1641 1 1 10 LYS HD2 H -10.895 -0.444 -8.257 1.00 . A A . 10 LYS HD2 1 1 4 1642 1 1 10 LYS HD3 H -11.364 -1.439 -6.892 1.00 . A A . 10 LYS HD3 1 1 4 1643 1 1 10 LYS HE2 H -12.005 0.871 -5.758 1.00 . A A . 10 LYS HE2 1 1 4 1644 1 1 10 LYS HE3 H -11.991 1.485 -7.399 1.00 . A A . 10 LYS HE3 1 1 4 1645 1 1 10 LYS HG2 H -9.427 0.916 -6.702 1.00 . A A . 10 LYS HG2 1 1 4 1646 1 1 10 LYS HG3 H -8.924 -0.753 -6.879 1.00 . A A . 10 LYS HG3 1 1 4 1647 1 1 10 LYS HZ1 H -13.461 -0.535 -7.862 1.00 . A A . 10 LYS HZ1 1 1 4 1648 1 1 10 LYS HZ2 H -13.716 -0.563 -6.250 1.00 . A A . 10 LYS HZ2 1 1 4 1649 1 1 10 LYS HZ3 H -14.127 0.757 -7.119 1.00 . A A . 10 LYS HZ3 1 1 4 1650 1 1 10 LYS N N -8.120 -2.065 -4.844 1.00 . A A . 10 LYS N 1 1 4 1651 1 1 10 LYS NZ N -13.464 0.014 -7.027 1.00 . A A . 10 LYS NZ 1 1 4 1652 1 1 10 LYS O O -8.665 0.323 -2.228 1.00 . A A . 10 LYS O 1 1 4 1653 1 1 11 ARG C C -6.684 -2.001 -0.350 1.00 . A A . 11 ARG C 1 1 4 1654 1 1 11 ARG CA C -8.137 -2.019 -0.828 1.00 . A A . 11 ARG CA 1 1 4 1655 1 1 11 ARG CB C -8.803 -3.317 -0.365 1.00 . A A . 11 ARG CB 1 1 4 1656 1 1 11 ARG CD C -8.703 -4.365 1.926 1.00 . A A . 11 ARG CD 1 1 4 1657 1 1 11 ARG CG C -9.260 -3.210 1.091 1.00 . A A . 11 ARG CG 1 1 4 1658 1 1 11 ARG CZ C -6.435 -5.233 2.484 1.00 . A A . 11 ARG CZ 1 1 4 1659 1 1 11 ARG H H -8.025 -2.733 -2.782 1.00 . A A . 11 ARG H 1 1 4 1660 1 1 11 ARG HA H -8.685 -1.157 -0.448 1.00 . A A . 11 ARG HA 1 1 4 1661 1 1 11 ARG HB2 H -9.658 -3.539 -1.004 1.00 . A A . 11 ARG HB2 1 1 4 1662 1 1 11 ARG HB3 H -8.103 -4.146 -0.471 1.00 . A A . 11 ARG HB3 1 1 4 1663 1 1 11 ARG HD2 H -8.927 -4.202 2.981 1.00 . A A . 11 ARG HD2 1 1 4 1664 1 1 11 ARG HD3 H -9.186 -5.299 1.638 1.00 . A A . 11 ARG HD3 1 1 4 1665 1 1 11 ARG HE H -6.826 -3.942 0.990 1.00 . A A . 11 ARG HE 1 1 4 1666 1 1 11 ARG HG2 H -8.929 -2.260 1.511 1.00 . A A . 11 ARG HG2 1 1 4 1667 1 1 11 ARG HG3 H -10.349 -3.216 1.135 1.00 . A A . 11 ARG HG3 1 1 4 1668 1 1 11 ARG HH11 H -7.928 -5.932 3.675 1.00 . A A . 11 ARG HH11 1 1 4 1669 1 1 11 ARG HH12 H -6.346 -6.527 4.050 1.00 . A A . 11 ARG HH12 1 1 4 1670 1 1 11 ARG HH21 H -4.738 -4.726 1.485 1.00 . A A . 11 ARG HH21 1 1 4 1671 1 1 11 ARG HH22 H -4.519 -5.837 2.797 1.00 . A A . 11 ARG HH22 1 1 4 1672 1 1 11 ARG N N -8.195 -1.888 -2.274 1.00 . A A . 11 ARG N 1 1 4 1673 1 1 11 ARG NE N -7.240 -4.471 1.731 1.00 . A A . 11 ARG NE 1 1 4 1674 1 1 11 ARG NH1 N -6.946 -5.959 3.488 1.00 . A A . 11 ARG NH1 1 1 4 1675 1 1 11 ARG NH2 N -5.119 -5.268 2.234 1.00 . A A . 11 ARG NH2 1 1 4 1676 1 1 11 ARG O O -6.394 -1.534 0.750 1.00 . A A . 11 ARG O 1 1 4 1677 1 1 12 PHE C C -3.780 -1.162 -0.885 1.00 . A A . 12 PHE C 1 1 4 1678 1 1 12 PHE CA C -4.392 -2.564 -0.881 1.00 . A A . 12 PHE CA 1 1 4 1679 1 1 12 PHE CB C -3.716 -3.407 -1.965 1.00 . A A . 12 PHE CB 1 1 4 1680 1 1 12 PHE CD1 C -1.462 -2.360 -2.271 1.00 . A A . 12 PHE CD1 1 1 4 1681 1 1 12 PHE CD2 C -1.560 -4.539 -1.380 1.00 . A A . 12 PHE CD2 1 1 4 1682 1 1 12 PHE CE1 C -0.045 -2.388 -2.181 1.00 . A A . 12 PHE CE1 1 1 4 1683 1 1 12 PHE CE2 C -0.144 -4.566 -1.291 1.00 . A A . 12 PHE CE2 1 1 4 1684 1 1 12 PHE CG C -2.190 -3.436 -1.868 1.00 . A A . 12 PHE CG 1 1 4 1685 1 1 12 PHE CZ C 0.584 -3.490 -1.693 1.00 . A A . 12 PHE CZ 1 1 4 1686 1 1 12 PHE H H -6.052 -2.893 -2.095 1.00 . A A . 12 PHE H 1 1 4 1687 1 1 12 PHE HA H -4.301 -2.995 0.117 1.00 . A A . 12 PHE HA 1 1 4 1688 1 1 12 PHE HB2 H -4.094 -4.427 -1.905 1.00 . A A . 12 PHE HB2 1 1 4 1689 1 1 12 PHE HB3 H -4.001 -3.018 -2.942 1.00 . A A . 12 PHE HB3 1 1 4 1690 1 1 12 PHE HD1 H -1.966 -1.477 -2.662 1.00 . A A . 12 PHE HD1 1 1 4 1691 1 1 12 PHE HD2 H -2.144 -5.401 -1.058 1.00 . A A . 12 PHE HD2 1 1 4 1692 1 1 12 PHE HE1 H 0.538 -1.525 -2.504 1.00 . A A . 12 PHE HE1 1 1 4 1693 1 1 12 PHE HE2 H 0.361 -5.450 -0.900 1.00 . A A . 12 PHE HE2 1 1 4 1694 1 1 12 PHE HZ H 1.672 -3.512 -1.625 1.00 . A A . 12 PHE HZ 1 1 4 1695 1 1 12 PHE N N -5.808 -2.515 -1.202 1.00 . A A . 12 PHE N 1 1 4 1696 1 1 12 PHE O O -3.014 -0.812 0.011 1.00 . A A . 12 PHE O 1 1 4 1697 1 1 13 MET C C -3.779 1.729 -0.724 1.00 . A A . 13 MET C 1 1 4 1698 1 1 13 MET CA C -3.637 0.959 -2.039 1.00 . A A . 13 MET CA 1 1 4 1699 1 1 13 MET CB C -4.411 1.685 -3.141 1.00 . A A . 13 MET CB 1 1 4 1700 1 1 13 MET CE C -6.683 2.494 -5.457 1.00 . A A . 13 MET CE 1 1 4 1701 1 1 13 MET CG C -5.879 1.255 -3.155 1.00 . A A . 13 MET CG 1 1 4 1702 1 1 13 MET H H -4.765 -0.689 -2.630 1.00 . A A . 13 MET H 1 1 4 1703 1 1 13 MET HA H -2.583 0.856 -2.295 1.00 . A A . 13 MET HA 1 1 4 1704 1 1 13 MET HB2 H -4.345 2.762 -2.987 1.00 . A A . 13 MET HB2 1 1 4 1705 1 1 13 MET HB3 H -3.956 1.473 -4.109 1.00 . A A . 13 MET HB3 1 1 4 1706 1 1 13 MET HE1 H -5.701 2.072 -5.671 1.00 . A A . 13 MET HE1 1 1 4 1707 1 1 13 MET HE2 H -7.454 1.850 -5.879 1.00 . A A . 13 MET HE2 1 1 4 1708 1 1 13 MET HE3 H -6.756 3.487 -5.900 1.00 . A A . 13 MET HE3 1 1 4 1709 1 1 13 MET HG2 H -6.011 0.403 -3.822 1.00 . A A . 13 MET HG2 1 1 4 1710 1 1 13 MET HG3 H -6.181 0.930 -2.159 1.00 . A A . 13 MET HG3 1 1 4 1711 1 1 13 MET N N -4.141 -0.397 -1.905 1.00 . A A . 13 MET N 1 1 4 1712 1 1 13 MET O O -3.061 2.699 -0.488 1.00 . A A . 13 MET O 1 1 4 1713 1 1 13 MET SD S -6.907 2.613 -3.690 1.00 . A A . 13 MET SD 1 1 4 1714 1 1 14 ARG C C -4.198 1.162 2.490 1.00 . A A . 14 ARG C 1 1 4 1715 1 1 14 ARG CA C -4.954 1.898 1.383 1.00 . A A . 14 ARG CA 1 1 4 1716 1 1 14 ARG CB C -6.448 1.910 1.716 1.00 . A A . 14 ARG CB 1 1 4 1717 1 1 14 ARG CD C -8.776 2.092 0.765 1.00 . A A . 14 ARG CD 1 1 4 1718 1 1 14 ARG CG C -7.282 2.252 0.480 1.00 . A A . 14 ARG CG 1 1 4 1719 1 1 14 ARG CZ C -10.883 2.404 -0.528 1.00 . A A . 14 ARG CZ 1 1 4 1720 1 1 14 ARG H H -5.289 0.476 -0.101 1.00 . A A . 14 ARG H 1 1 4 1721 1 1 14 ARG HA H -4.585 2.917 1.267 1.00 . A A . 14 ARG HA 1 1 4 1722 1 1 14 ARG HB2 H -6.745 0.935 2.101 1.00 . A A . 14 ARG HB2 1 1 4 1723 1 1 14 ARG HB3 H -6.643 2.637 2.504 1.00 . A A . 14 ARG HB3 1 1 4 1724 1 1 14 ARG HD2 H -9.012 1.042 0.938 1.00 . A A . 14 ARG HD2 1 1 4 1725 1 1 14 ARG HD3 H -9.041 2.631 1.675 1.00 . A A . 14 ARG HD3 1 1 4 1726 1 1 14 ARG HE H -9.091 3.138 -1.074 1.00 . A A . 14 ARG HE 1 1 4 1727 1 1 14 ARG HG2 H -7.075 3.276 0.169 1.00 . A A . 14 ARG HG2 1 1 4 1728 1 1 14 ARG HG3 H -6.995 1.604 -0.348 1.00 . A A . 14 ARG HG3 1 1 4 1729 1 1 14 ARG HH11 H -11.089 1.320 1.180 1.00 . A A . 14 ARG HH11 1 1 4 1730 1 1 14 ARG HH12 H -12.545 1.545 0.270 1.00 . A A . 14 ARG HH12 1 1 4 1731 1 1 14 ARG HH21 H -11.012 3.436 -2.275 1.00 . A A . 14 ARG HH21 1 1 4 1732 1 1 14 ARG HH22 H -12.501 2.757 -1.709 1.00 . A A . 14 ARG HH22 1 1 4 1733 1 1 14 ARG N N -4.709 1.266 0.098 1.00 . A A . 14 ARG N 1 1 4 1734 1 1 14 ARG NE N -9.568 2.606 -0.374 1.00 . A A . 14 ARG NE 1 1 4 1735 1 1 14 ARG NH1 N -11.563 1.696 0.385 1.00 . A A . 14 ARG NH1 1 1 4 1736 1 1 14 ARG NH2 N -11.519 2.908 -1.594 1.00 . A A . 14 ARG NH2 1 1 4 1737 1 1 14 ARG O O -3.492 1.782 3.284 1.00 . A A . 14 ARG O 1 1 4 1738 1 1 15 SER C C -2.198 -0.793 3.423 1.00 . A A . 15 SER C 1 1 4 1739 1 1 15 SER CA C -3.714 -0.980 3.505 1.00 . A A . 15 SER CA 1 1 4 1740 1 1 15 SER CB C -4.078 -2.455 3.323 1.00 . A A . 15 SER CB 1 1 4 1741 1 1 15 SER H H -4.948 -0.649 1.860 1.00 . A A . 15 SER H 1 1 4 1742 1 1 15 SER HA H -4.091 -0.629 4.466 1.00 . A A . 15 SER HA 1 1 4 1743 1 1 15 SER HB2 H -3.822 -2.769 2.311 1.00 . A A . 15 SER HB2 1 1 4 1744 1 1 15 SER HB3 H -3.484 -3.062 4.006 1.00 . A A . 15 SER HB3 1 1 4 1745 1 1 15 SER HG H -6.017 -2.117 2.960 1.00 . A A . 15 SER HG 1 1 4 1746 1 1 15 SER N N -4.372 -0.152 2.509 1.00 . A A . 15 SER N 1 1 4 1747 1 1 15 SER O O -1.474 -1.153 4.350 1.00 . A A . 15 SER O 1 1 4 1748 1 1 15 SER OG O -5.463 -2.696 3.558 1.00 . A A . 15 SER OG 1 1 4 1749 1 1 16 ASP C C -0.031 1.476 2.374 1.00 . A A . 16 ASP C 1 1 4 1750 1 1 16 ASP CA C -0.346 0.006 2.089 1.00 . A A . 16 ASP CA 1 1 4 1751 1 1 16 ASP CB C 0.049 -0.290 0.641 1.00 . A A . 16 ASP CB 1 1 4 1752 1 1 16 ASP CG C 0.750 -1.632 0.423 1.00 . A A . 16 ASP CG 1 1 4 1753 1 1 16 ASP H H -2.358 0.057 1.555 1.00 . A A . 16 ASP H 1 1 4 1754 1 1 16 ASP HA H 0.166 -0.670 2.774 1.00 . A A . 16 ASP HA 1 1 4 1755 1 1 16 ASP HB2 H -0.848 -0.261 0.023 1.00 . A A . 16 ASP HB2 1 1 4 1756 1 1 16 ASP HB3 H 0.705 0.506 0.289 1.00 . A A . 16 ASP HB3 1 1 4 1757 1 1 16 ASP N N -1.763 -0.232 2.305 1.00 . A A . 16 ASP N 1 1 4 1758 1 1 16 ASP O O 1.120 1.832 2.623 1.00 . A A . 16 ASP O 1 1 4 1759 1 1 16 ASP OD1 O 0.087 -2.664 0.664 1.00 . A A . 16 ASP OD1 1 1 4 1760 1 1 16 ASP OD2 O 1.933 -1.597 0.022 1.00 . A A . 16 ASP OD2 1 1 4 1761 1 1 17 ALA C C -1.057 3.982 4.077 1.00 . A A . 17 ALA C 1 1 4 1762 1 1 17 ALA CA C -0.924 3.715 2.576 1.00 . A A . 17 ALA CA 1 1 4 1763 1 1 17 ALA CB C -1.955 4.489 1.752 1.00 . A A . 17 ALA CB 1 1 4 1764 1 1 17 ALA H H -2.008 1.994 2.123 1.00 . A A . 17 ALA H 1 1 4 1765 1 1 17 ALA HA H 0.075 4.005 2.251 1.00 . A A . 17 ALA HA 1 1 4 1766 1 1 17 ALA HB1 H -1.459 4.972 0.910 1.00 . A A . 17 ALA HB1 1 1 4 1767 1 1 17 ALA HB2 H -2.715 3.801 1.381 1.00 . A A . 17 ALA HB2 1 1 4 1768 1 1 17 ALA HB3 H -2.426 5.247 2.379 1.00 . A A . 17 ALA HB3 1 1 4 1769 1 1 17 ALA N N -1.075 2.291 2.327 1.00 . A A . 17 ALA N 1 1 4 1770 1 1 17 ALA O O -1.361 5.101 4.487 1.00 . A A . 17 ALA O 1 1 4 1771 1 1 18 LEU C C 0.006 2.001 6.943 1.00 . A A . 18 LEU C 1 1 4 1772 1 1 18 LEU CA C -0.912 3.043 6.301 1.00 . A A . 18 LEU CA 1 1 4 1773 1 1 18 LEU CB C -2.369 2.944 6.756 1.00 . A A . 18 LEU CB 1 1 4 1774 1 1 18 LEU CD1 C -2.229 0.483 6.224 1.00 . A A . 18 LEU CD1 1 1 4 1775 1 1 18 LEU CD2 C -2.622 1.252 8.609 1.00 . A A . 18 LEU CD2 1 1 4 1776 1 1 18 LEU CG C -2.862 1.543 7.126 1.00 . A A . 18 LEU CG 1 1 4 1777 1 1 18 LEU H H -0.576 2.029 4.513 1.00 . A A . 18 LEU H 1 1 4 1778 1 1 18 LEU HA H -0.555 4.035 6.577 1.00 . A A . 18 LEU HA 1 1 4 1779 1 1 18 LEU HB2 H -2.505 3.595 7.620 1.00 . A A . 18 LEU HB2 1 1 4 1780 1 1 18 LEU HB3 H -3.005 3.333 5.961 1.00 . A A . 18 LEU HB3 1 1 4 1781 1 1 18 LEU HD11 H -1.954 0.935 5.271 1.00 . A A . 18 LEU HD11 1 1 4 1782 1 1 18 LEU HD12 H -1.338 0.080 6.706 1.00 . A A . 18 LEU HD12 1 1 4 1783 1 1 18 LEU HD13 H -2.944 -0.322 6.051 1.00 . A A . 18 LEU HD13 1 1 4 1784 1 1 18 LEU HD21 H -3.576 1.056 9.100 1.00 . A A . 18 LEU HD21 1 1 4 1785 1 1 18 LEU HD22 H -1.977 0.378 8.708 1.00 . A A . 18 LEU HD22 1 1 4 1786 1 1 18 LEU HD23 H -2.143 2.112 9.076 1.00 . A A . 18 LEU HD23 1 1 4 1787 1 1 18 LEU HG H -3.939 1.505 6.961 1.00 . A A . 18 LEU HG 1 1 4 1788 1 1 18 LEU N N -0.822 2.936 4.855 1.00 . A A . 18 LEU N 1 1 4 1789 1 1 18 LEU O O -0.170 1.649 8.109 1.00 . A A . 18 LEU O 1 1 4 1790 1 1 19 SER C C 3.340 0.987 6.320 1.00 . A A . 19 SER C 1 1 4 1791 1 1 19 SER CA C 1.910 0.542 6.633 1.00 . A A . 19 SER CA 1 1 4 1792 1 1 19 SER CB C 1.631 -0.826 6.008 1.00 . A A . 19 SER CB 1 1 4 1793 1 1 19 SER H H 1.100 1.829 5.208 1.00 . A A . 19 SER H 1 1 4 1794 1 1 19 SER HA H 1.752 0.488 7.710 1.00 . A A . 19 SER HA 1 1 4 1795 1 1 19 SER HB2 H 1.016 -0.700 5.117 1.00 . A A . 19 SER HB2 1 1 4 1796 1 1 19 SER HB3 H 2.570 -1.276 5.686 1.00 . A A . 19 SER HB3 1 1 4 1797 1 1 19 SER HG H 1.481 -2.563 6.992 1.00 . A A . 19 SER HG 1 1 4 1798 1 1 19 SER N N 0.964 1.537 6.155 1.00 . A A . 19 SER N 1 1 4 1799 1 1 19 SER O O 4.117 1.275 7.229 1.00 . A A . 19 SER O 1 1 4 1800 1 1 19 SER OG O 0.973 -1.704 6.918 1.00 . A A . 19 SER OG 1 1 4 1801 1 1 20 LYS C C 5.109 2.950 4.737 1.00 . A A . 20 LYS C 1 1 4 1802 1 1 20 LYS CA C 4.967 1.434 4.588 1.00 . A A . 20 LYS CA 1 1 4 1803 1 1 20 LYS CB C 5.234 0.929 3.168 1.00 . A A . 20 LYS CB 1 1 4 1804 1 1 20 LYS CD C 5.450 -1.418 4.066 1.00 . A A . 20 LYS CD 1 1 4 1805 1 1 20 LYS CE C 5.875 -2.758 3.462 1.00 . A A . 20 LYS CE 1 1 4 1806 1 1 20 LYS CG C 4.790 -0.527 3.012 1.00 . A A . 20 LYS CG 1 1 4 1807 1 1 20 LYS H H 3.006 0.793 4.298 1.00 . A A . 20 LYS H 1 1 4 1808 1 1 20 LYS HA H 5.693 0.953 5.243 1.00 . A A . 20 LYS HA 1 1 4 1809 1 1 20 LYS HB2 H 4.705 1.554 2.450 1.00 . A A . 20 LYS HB2 1 1 4 1810 1 1 20 LYS HB3 H 6.297 1.014 2.942 1.00 . A A . 20 LYS HB3 1 1 4 1811 1 1 20 LYS HD2 H 6.320 -0.911 4.483 1.00 . A A . 20 LYS HD2 1 1 4 1812 1 1 20 LYS HD3 H 4.756 -1.590 4.889 1.00 . A A . 20 LYS HD3 1 1 4 1813 1 1 20 LYS HE2 H 5.081 -3.145 2.823 1.00 . A A . 20 LYS HE2 1 1 4 1814 1 1 20 LYS HE3 H 6.752 -2.617 2.830 1.00 . A A . 20 LYS HE3 1 1 4 1815 1 1 20 LYS HG2 H 3.705 -0.592 3.103 1.00 . A A . 20 LYS HG2 1 1 4 1816 1 1 20 LYS HG3 H 5.047 -0.884 2.015 1.00 . A A . 20 LYS HG3 1 1 4 1817 1 1 20 LYS HZ1 H 5.500 -3.654 5.260 1.00 . A A . 20 LYS HZ1 1 1 4 1818 1 1 20 LYS HZ2 H 6.155 -4.661 4.154 1.00 . A A . 20 LYS HZ2 1 1 4 1819 1 1 20 LYS HZ3 H 7.090 -3.551 4.902 1.00 . A A . 20 LYS HZ3 1 1 4 1820 1 1 20 LYS N N 3.644 1.029 5.031 1.00 . A A . 20 LYS N 1 1 4 1821 1 1 20 LYS NZ N 6.179 -3.735 4.531 1.00 . A A . 20 LYS NZ 1 1 4 1822 1 1 20 LYS O O 5.434 3.645 3.776 1.00 . A A . 20 LYS O 1 1 4 1823 1 1 21 HIS C C 4.809 5.069 7.745 1.00 . A A . 21 HIS C 1 1 4 1824 1 1 21 HIS CA C 4.953 4.840 6.239 1.00 . A A . 21 HIS CA 1 1 4 1825 1 1 21 HIS CB C 3.932 5.630 5.418 1.00 . A A . 21 HIS CB 1 1 4 1826 1 1 21 HIS CD2 C 2.718 6.815 7.407 1.00 . A A . 21 HIS CD2 1 1 4 1827 1 1 21 HIS CE1 C 0.657 6.523 6.733 1.00 . A A . 21 HIS CE1 1 1 4 1828 1 1 21 HIS CG C 2.760 6.140 6.223 1.00 . A A . 21 HIS CG 1 1 4 1829 1 1 21 HIS H H 4.593 2.847 6.728 1.00 . A A . 21 HIS H 1 1 4 1830 1 1 21 HIS HA H 5.948 5.156 5.925 1.00 . A A . 21 HIS HA 1 1 4 1831 1 1 21 HIS HB2 H 4.434 6.477 4.951 1.00 . A A . 21 HIS HB2 1 1 4 1832 1 1 21 HIS HB3 H 3.559 4.997 4.613 1.00 . A A . 21 HIS HB3 1 1 4 1833 1 1 21 HIS HD1 H 1.143 5.509 4.989 1.00 . A A . 21 HIS HD1 1 1 4 1834 1 1 21 HIS HD2 H 3.582 7.113 8.001 1.00 . A A . 21 HIS HD2 1 1 4 1835 1 1 21 HIS HE1 H -0.432 6.554 6.703 1.00 . A A . 21 HIS HE1 1 1 4 1836 1 1 21 HIS HE2 H 1.121 7.475 8.556 1.00 . A A . 21 HIS HE2 1 1 4 1837 1 1 21 HIS N N 4.857 3.419 5.951 1.00 . A A . 21 HIS N 1 1 4 1838 1 1 21 HIS ND1 N 1.446 5.970 5.823 1.00 . A A . 21 HIS ND1 1 1 4 1839 1 1 21 HIS NE2 N 1.447 7.046 7.714 1.00 . A A . 21 HIS NE2 1 1 4 1840 1 1 21 HIS O O 5.497 5.914 8.316 1.00 . A A . 21 HIS O 1 1 4 1841 1 1 22 ILE C C 4.356 3.251 10.493 1.00 . A A . 22 ILE C 1 1 4 1842 1 1 22 ILE CA C 3.667 4.411 9.773 1.00 . A A . 22 ILE CA 1 1 4 1843 1 1 22 ILE CB C 2.166 4.505 10.055 1.00 . A A . 22 ILE CB 1 1 4 1844 1 1 22 ILE CD1 C 1.783 2.271 11.160 1.00 . A A . 22 ILE CD1 1 1 4 1845 1 1 22 ILE CG1 C 1.807 3.788 11.358 1.00 . A A . 22 ILE CG1 1 1 4 1846 1 1 22 ILE CG2 C 1.351 3.983 8.870 1.00 . A A . 22 ILE CG2 1 1 4 1847 1 1 22 ILE H H 3.355 3.618 7.872 1.00 . A A . 22 ILE H 1 1 4 1848 1 1 22 ILE HA H 4.118 5.344 10.110 1.00 . A A . 22 ILE HA 1 1 4 1849 1 1 22 ILE HB H 1.908 5.556 10.184 1.00 . A A . 22 ILE HB 1 1 4 1850 1 1 22 ILE HD11 H 2.262 1.786 12.011 1.00 . A A . 22 ILE HD11 1 1 4 1851 1 1 22 ILE HD12 H 0.750 1.932 11.082 1.00 . A A . 22 ILE HD12 1 1 4 1852 1 1 22 ILE HD13 H 2.319 2.015 10.246 1.00 . A A . 22 ILE HD13 1 1 4 1853 1 1 22 ILE HG12 H 2.532 4.046 12.131 1.00 . A A . 22 ILE HG12 1 1 4 1854 1 1 22 ILE HG13 H 0.833 4.129 11.708 1.00 . A A . 22 ILE HG13 1 1 4 1855 1 1 22 ILE HG21 H 0.294 3.967 9.135 1.00 . A A . 22 ILE HG21 1 1 4 1856 1 1 22 ILE HG22 H 1.501 4.636 8.010 1.00 . A A . 22 ILE HG22 1 1 4 1857 1 1 22 ILE HG23 H 1.679 2.974 8.620 1.00 . A A . 22 ILE HG23 1 1 4 1858 1 1 22 ILE N N 3.910 4.302 8.344 1.00 . A A . 22 ILE N 1 1 4 1859 1 1 22 ILE O O 4.523 3.283 11.711 1.00 . A A . 22 ILE O 1 1 4 1860 1 1 23 LYS C C 6.904 1.373 10.389 1.00 . A A . 23 LYS C 1 1 4 1861 1 1 23 LYS CA C 5.407 1.085 10.257 1.00 . A A . 23 LYS CA 1 1 4 1862 1 1 23 LYS CB C 5.091 -0.155 9.418 1.00 . A A . 23 LYS CB 1 1 4 1863 1 1 23 LYS CD C 3.148 -1.056 10.750 1.00 . A A . 23 LYS CD 1 1 4 1864 1 1 23 LYS CE C 1.736 -1.637 10.647 1.00 . A A . 23 LYS CE 1 1 4 1865 1 1 23 LYS CG C 3.589 -0.448 9.417 1.00 . A A . 23 LYS CG 1 1 4 1866 1 1 23 LYS H H 4.600 2.235 8.719 1.00 . A A . 23 LYS H 1 1 4 1867 1 1 23 LYS HA H 4.999 0.913 11.253 1.00 . A A . 23 LYS HA 1 1 4 1868 1 1 23 LYS HB2 H 5.437 -0.005 8.395 1.00 . A A . 23 LYS HB2 1 1 4 1869 1 1 23 LYS HB3 H 5.633 -1.014 9.814 1.00 . A A . 23 LYS HB3 1 1 4 1870 1 1 23 LYS HD2 H 3.847 -1.839 11.045 1.00 . A A . 23 LYS HD2 1 1 4 1871 1 1 23 LYS HD3 H 3.176 -0.294 11.528 1.00 . A A . 23 LYS HD3 1 1 4 1872 1 1 23 LYS HE2 H 1.264 -1.298 9.725 1.00 . A A . 23 LYS HE2 1 1 4 1873 1 1 23 LYS HE3 H 1.787 -2.725 10.598 1.00 . A A . 23 LYS HE3 1 1 4 1874 1 1 23 LYS HG2 H 3.036 0.472 9.232 1.00 . A A . 23 LYS HG2 1 1 4 1875 1 1 23 LYS HG3 H 3.350 -1.133 8.604 1.00 . A A . 23 LYS HG3 1 1 4 1876 1 1 23 LYS HZ1 H 0.408 -2.011 12.155 1.00 . A A . 23 LYS HZ1 1 1 4 1877 1 1 23 LYS HZ2 H 1.520 -0.876 12.531 1.00 . A A . 23 LYS HZ2 1 1 4 1878 1 1 23 LYS HZ3 H 0.282 -0.507 11.532 1.00 . A A . 23 LYS HZ3 1 1 4 1879 1 1 23 LYS N N 4.739 2.253 9.709 1.00 . A A . 23 LYS N 1 1 4 1880 1 1 23 LYS NZ N 0.920 -1.224 11.811 1.00 . A A . 23 LYS NZ 1 1 4 1881 1 1 23 LYS O O 7.688 0.475 10.690 1.00 . A A . 23 LYS O 1 1 4 1882 1 1 24 THR C C 8.763 4.554 10.006 1.00 . A A . 24 THR C 1 1 4 1883 1 1 24 THR CA C 8.643 3.048 10.246 1.00 . A A . 24 THR CA 1 1 4 1884 1 1 24 THR CB C 9.454 2.208 9.257 1.00 . A A . 24 THR CB 1 1 4 1885 1 1 24 THR CG2 C 9.177 2.589 7.801 1.00 . A A . 24 THR CG2 1 1 4 1886 1 1 24 THR H H 6.610 3.354 9.913 1.00 . A A . 24 THR H 1 1 4 1887 1 1 24 THR HA H 8.995 2.856 11.260 1.00 . A A . 24 THR HA 1 1 4 1888 1 1 24 THR HB H 9.285 1.144 9.419 1.00 . A A . 24 THR HB 1 1 4 1889 1 1 24 THR HG1 H 11.412 1.831 9.422 1.00 . A A . 24 THR HG1 1 1 4 1890 1 1 24 THR HG21 H 9.628 3.558 7.587 1.00 . A A . 24 THR HG21 1 1 4 1891 1 1 24 THR HG22 H 9.605 1.836 7.140 1.00 . A A . 24 THR HG22 1 1 4 1892 1 1 24 THR HG23 H 8.101 2.646 7.638 1.00 . A A . 24 THR HG23 1 1 4 1893 1 1 24 THR N N 7.254 2.630 10.157 1.00 . A A . 24 THR N 1 1 4 1894 1 1 24 THR O O 8.498 5.034 8.905 1.00 . A A . 24 THR O 1 1 4 1895 1 1 24 THR OG1 O 10.801 2.620 9.473 1.00 . A A . 24 THR OG1 1 1 4 1896 1 1 25 ALA C C 10.769 7.029 10.597 1.00 . A A . 25 ALA C 1 1 4 1897 1 1 25 ALA CA C 9.322 6.700 10.972 1.00 . A A . 25 ALA CA 1 1 4 1898 1 1 25 ALA CB C 8.905 7.336 12.299 1.00 . A A . 25 ALA CB 1 1 4 1899 1 1 25 ALA H H 9.378 4.859 11.947 1.00 . A A . 25 ALA H 1 1 4 1900 1 1 25 ALA HA H 8.660 7.062 10.185 1.00 . A A . 25 ALA HA 1 1 4 1901 1 1 25 ALA HB1 H 9.787 7.497 12.918 1.00 . A A . 25 ALA HB1 1 1 4 1902 1 1 25 ALA HB2 H 8.417 8.292 12.106 1.00 . A A . 25 ALA HB2 1 1 4 1903 1 1 25 ALA HB3 H 8.212 6.674 12.818 1.00 . A A . 25 ALA HB3 1 1 4 1904 1 1 25 ALA N N 9.164 5.258 11.055 1.00 . A A . 25 ALA N 1 1 4 1905 1 1 25 ALA O O 11.535 7.511 11.429 1.00 . A A . 25 ALA O 1 1 4 1906 1 1 26 PHE C C 12.486 6.929 7.321 1.00 . A A . 26 PHE C 1 1 4 1907 1 1 26 PHE CA C 12.439 7.015 8.848 1.00 . A A . 26 PHE CA 1 1 4 1908 1 1 26 PHE CB C 13.351 5.937 9.436 1.00 . A A . 26 PHE CB 1 1 4 1909 1 1 26 PHE CD1 C 12.162 4.328 7.929 1.00 . A A . 26 PHE CD1 1 1 4 1910 1 1 26 PHE CD2 C 14.114 3.588 9.020 1.00 . A A . 26 PHE CD2 1 1 4 1911 1 1 26 PHE CE1 C 12.025 3.057 7.311 1.00 . A A . 26 PHE CE1 1 1 4 1912 1 1 26 PHE CE2 C 13.977 2.316 8.403 1.00 . A A . 26 PHE CE2 1 1 4 1913 1 1 26 PHE CG C 13.203 4.567 8.770 1.00 . A A . 26 PHE CG 1 1 4 1914 1 1 26 PHE CZ C 12.935 2.078 7.561 1.00 . A A . 26 PHE CZ 1 1 4 1915 1 1 26 PHE H H 10.469 6.362 8.672 1.00 . A A . 26 PHE H 1 1 4 1916 1 1 26 PHE HA H 12.710 8.024 9.162 1.00 . A A . 26 PHE HA 1 1 4 1917 1 1 26 PHE HB2 H 14.387 6.263 9.347 1.00 . A A . 26 PHE HB2 1 1 4 1918 1 1 26 PHE HB3 H 13.139 5.836 10.500 1.00 . A A . 26 PHE HB3 1 1 4 1919 1 1 26 PHE HD1 H 11.432 5.113 7.729 1.00 . A A . 26 PHE HD1 1 1 4 1920 1 1 26 PHE HD2 H 14.949 3.779 9.695 1.00 . A A . 26 PHE HD2 1 1 4 1921 1 1 26 PHE HE1 H 11.190 2.866 6.637 1.00 . A A . 26 PHE HE1 1 1 4 1922 1 1 26 PHE HE2 H 14.707 1.532 8.603 1.00 . A A . 26 PHE HE2 1 1 4 1923 1 1 26 PHE HZ H 12.830 1.102 7.087 1.00 . A A . 26 PHE HZ 1 1 4 1924 1 1 26 PHE N N 11.099 6.755 9.343 1.00 . A A . 26 PHE N 1 1 4 1925 1 1 26 PHE O O 11.449 6.971 6.661 1.00 . A A . 26 PHE O 1 1 4 1926 1 1 27 ILE C C 14.848 5.561 5.060 1.00 . A A . 27 ILE C 1 1 4 1927 1 1 27 ILE CA C 13.896 6.719 5.367 1.00 . A A . 27 ILE CA 1 1 4 1928 1 1 27 ILE CB C 14.360 8.063 4.803 1.00 . A A . 27 ILE CB 1 1 4 1929 1 1 27 ILE CD1 C 14.102 8.802 2.405 1.00 . A A . 27 ILE CD1 1 1 4 1930 1 1 27 ILE CG1 C 14.880 7.907 3.372 1.00 . A A . 27 ILE CG1 1 1 4 1931 1 1 27 ILE CG2 C 15.396 8.715 5.720 1.00 . A A . 27 ILE CG2 1 1 4 1932 1 1 27 ILE H H 14.539 6.778 7.348 1.00 . A A . 27 ILE H 1 1 4 1933 1 1 27 ILE HA H 12.927 6.499 4.919 1.00 . A A . 27 ILE HA 1 1 4 1934 1 1 27 ILE HB H 13.501 8.732 4.762 1.00 . A A . 27 ILE HB 1 1 4 1935 1 1 27 ILE HD11 H 14.592 8.797 1.431 1.00 . A A . 27 ILE HD11 1 1 4 1936 1 1 27 ILE HD12 H 13.084 8.428 2.303 1.00 . A A . 27 ILE HD12 1 1 4 1937 1 1 27 ILE HD13 H 14.078 9.821 2.793 1.00 . A A . 27 ILE HD13 1 1 4 1938 1 1 27 ILE HG12 H 15.939 8.161 3.336 1.00 . A A . 27 ILE HG12 1 1 4 1939 1 1 27 ILE HG13 H 14.791 6.866 3.061 1.00 . A A . 27 ILE HG13 1 1 4 1940 1 1 27 ILE HG21 H 16.308 8.117 5.722 1.00 . A A . 27 ILE HG21 1 1 4 1941 1 1 27 ILE HG22 H 15.621 9.719 5.360 1.00 . A A . 27 ILE HG22 1 1 4 1942 1 1 27 ILE HG23 H 14.999 8.774 6.734 1.00 . A A . 27 ILE HG23 1 1 4 1943 1 1 27 ILE N N 13.700 6.811 6.804 1.00 . A A . 27 ILE N 1 1 4 1944 1 1 27 ILE O O 16.066 5.719 5.129 1.00 . A A . 27 ILE O 1 1 4 1945 1 1 28 VAL C C 14.121 2.185 3.783 1.00 . A A . 28 VAL C 1 1 4 1946 1 1 28 VAL CA C 15.036 3.239 4.409 1.00 . A A . 28 VAL CA 1 1 4 1947 1 1 28 VAL CB C 15.759 2.737 5.660 1.00 . A A . 28 VAL CB 1 1 4 1948 1 1 28 VAL CG1 C 16.005 1.229 5.582 1.00 . A A . 28 VAL CG1 1 1 4 1949 1 1 28 VAL CG2 C 17.069 3.497 5.879 1.00 . A A . 28 VAL CG2 1 1 4 1950 1 1 28 VAL H H 13.265 4.304 4.673 1.00 . A A . 28 VAL H 1 1 4 1951 1 1 28 VAL HA H 15.789 3.529 3.677 1.00 . A A . 28 VAL HA 1 1 4 1952 1 1 28 VAL HB H 15.114 2.927 6.518 1.00 . A A . 28 VAL HB 1 1 4 1953 1 1 28 VAL HG11 H 16.023 0.917 4.538 1.00 . A A . 28 VAL HG11 1 1 4 1954 1 1 28 VAL HG12 H 16.962 0.993 6.048 1.00 . A A . 28 VAL HG12 1 1 4 1955 1 1 28 VAL HG13 H 15.207 0.703 6.105 1.00 . A A . 28 VAL HG13 1 1 4 1956 1 1 28 VAL HG21 H 16.915 4.280 6.620 1.00 . A A . 28 VAL HG21 1 1 4 1957 1 1 28 VAL HG22 H 17.834 2.806 6.233 1.00 . A A . 28 VAL HG22 1 1 4 1958 1 1 28 VAL HG23 H 17.390 3.944 4.938 1.00 . A A . 28 VAL HG23 1 1 4 1959 1 1 28 VAL N N 14.256 4.423 4.727 1.00 . A A . 28 VAL N 1 1 4 1960 1 1 28 VAL O O 14.489 1.544 2.799 1.00 . A A . 28 VAL O 1 1 4 1961 1 1 29 VAL C C 10.565 1.617 4.112 1.00 . A A . 29 VAL C 1 1 4 1962 1 1 29 VAL CA C 11.977 1.071 3.892 1.00 . A A . 29 VAL CA 1 1 4 1963 1 1 29 VAL CB C 12.205 -0.284 4.564 1.00 . A A . 29 VAL CB 1 1 4 1964 1 1 29 VAL CG1 C 11.081 -1.263 4.220 1.00 . A A . 29 VAL CG1 1 1 4 1965 1 1 29 VAL CG2 C 13.570 -0.861 4.185 1.00 . A A . 29 VAL CG2 1 1 4 1966 1 1 29 VAL H H 12.656 2.562 5.178 1.00 . A A . 29 VAL H 1 1 4 1967 1 1 29 VAL HA H 12.143 0.949 2.821 1.00 . A A . 29 VAL HA 1 1 4 1968 1 1 29 VAL HB H 12.195 -0.129 5.643 1.00 . A A . 29 VAL HB 1 1 4 1969 1 1 29 VAL HG11 H 11.464 -2.283 4.254 1.00 . A A . 29 VAL HG11 1 1 4 1970 1 1 29 VAL HG12 H 10.271 -1.156 4.941 1.00 . A A . 29 VAL HG12 1 1 4 1971 1 1 29 VAL HG13 H 10.707 -1.049 3.219 1.00 . A A . 29 VAL HG13 1 1 4 1972 1 1 29 VAL HG21 H 13.632 -0.969 3.102 1.00 . A A . 29 VAL HG21 1 1 4 1973 1 1 29 VAL HG22 H 14.357 -0.189 4.529 1.00 . A A . 29 VAL HG22 1 1 4 1974 1 1 29 VAL HG23 H 13.695 -1.837 4.655 1.00 . A A . 29 VAL HG23 1 1 4 1975 1 1 29 VAL N N 12.947 2.037 4.379 1.00 . A A . 29 VAL N 1 1 4 1976 1 1 29 VAL O O 9.592 0.865 4.082 1.00 . A A . 29 VAL O 1 1 4 1977 1 1 30 ALA C C 8.638 4.027 3.211 1.00 . A A . 30 ALA C 1 1 4 1978 1 1 30 ALA CA C 9.220 3.579 4.553 1.00 . A A . 30 ALA CA 1 1 4 1979 1 1 30 ALA CB C 9.409 4.745 5.525 1.00 . A A . 30 ALA CB 1 1 4 1980 1 1 30 ALA H H 11.293 3.528 4.351 1.00 . A A . 30 ALA H 1 1 4 1981 1 1 30 ALA HA H 8.548 2.850 5.006 1.00 . A A . 30 ALA HA 1 1 4 1982 1 1 30 ALA HB1 H 9.348 5.686 4.979 1.00 . A A . 30 ALA HB1 1 1 4 1983 1 1 30 ALA HB2 H 8.629 4.715 6.285 1.00 . A A . 30 ALA HB2 1 1 4 1984 1 1 30 ALA HB3 H 10.385 4.665 6.003 1.00 . A A . 30 ALA HB3 1 1 4 1985 1 1 30 ALA N N 10.497 2.923 4.328 1.00 . A A . 30 ALA N 1 1 4 1986 1 1 30 ALA O O 8.116 5.135 3.095 1.00 . A A . 30 ALA O 1 1 4 1987 1 1 31 LEU C C 6.771 3.853 1.001 1.00 . A A . 31 LEU C 1 1 4 1988 1 1 31 LEU CA C 8.239 3.434 0.900 1.00 . A A . 31 LEU CA 1 1 4 1989 1 1 31 LEU CB C 8.477 2.247 -0.036 1.00 . A A . 31 LEU CB 1 1 4 1990 1 1 31 LEU CD1 C 7.115 0.145 -0.334 1.00 . A A . 31 LEU CD1 1 1 4 1991 1 1 31 LEU CD2 C 9.418 0.034 0.725 1.00 . A A . 31 LEU CD2 1 1 4 1992 1 1 31 LEU CG C 8.147 0.866 0.535 1.00 . A A . 31 LEU CG 1 1 4 1993 1 1 31 LEU H H 9.174 2.244 2.332 1.00 . A A . 31 LEU H 1 1 4 1994 1 1 31 LEU HA H 8.813 4.273 0.507 1.00 . A A . 31 LEU HA 1 1 4 1995 1 1 31 LEU HB2 H 7.883 2.396 -0.938 1.00 . A A . 31 LEU HB2 1 1 4 1996 1 1 31 LEU HB3 H 9.524 2.252 -0.339 1.00 . A A . 31 LEU HB3 1 1 4 1997 1 1 31 LEU HD11 H 7.276 -0.931 -0.272 1.00 . A A . 31 LEU HD11 1 1 4 1998 1 1 31 LEU HD12 H 6.112 0.384 0.020 1.00 . A A . 31 LEU HD12 1 1 4 1999 1 1 31 LEU HD13 H 7.222 0.470 -1.369 1.00 . A A . 31 LEU HD13 1 1 4 2000 1 1 31 LEU HD21 H 10.191 0.652 1.182 1.00 . A A . 31 LEU HD21 1 1 4 2001 1 1 31 LEU HD22 H 9.202 -0.816 1.373 1.00 . A A . 31 LEU HD22 1 1 4 2002 1 1 31 LEU HD23 H 9.765 -0.326 -0.243 1.00 . A A . 31 LEU HD23 1 1 4 2003 1 1 31 LEU HG H 7.701 1.001 1.520 1.00 . A A . 31 LEU HG 1 1 4 2004 1 1 31 LEU N N 8.748 3.143 2.230 1.00 . A A . 31 LEU N 1 1 4 2005 1 1 31 LEU O O 5.927 3.071 1.435 1.00 . A A . 31 LEU O 1 1 4 2006 1 1 32 GLY C C 5.133 6.994 1.303 1.00 . A A . 32 GLY C 1 1 4 2007 1 1 32 GLY CA C 5.161 5.619 0.630 1.00 . A A . 32 GLY CA 1 1 4 2008 1 1 32 GLY H H 7.205 5.716 0.240 1.00 . A A . 32 GLY H 1 1 4 2009 1 1 32 GLY HA2 H 4.768 5.698 -0.383 1.00 . A A . 32 GLY HA2 1 1 4 2010 1 1 32 GLY HA3 H 4.511 4.932 1.172 1.00 . A A . 32 GLY HA3 1 1 4 2011 1 1 32 GLY N N 6.512 5.087 0.592 1.00 . A A . 32 GLY N 1 1 4 2012 1 1 32 GLY O O 6.101 7.393 1.948 1.00 . A A . 32 GLY O 1 1 5 2013 1 1 1 TYR C C -11.495 -4.744 -13.098 1.00 . A A . 1 TYR C 1 1 5 2014 1 1 1 TYR CA C -10.868 -3.361 -12.913 1.00 . A A . 1 TYR CA 1 1 5 2015 1 1 1 TYR CB C -9.529 -3.514 -12.189 1.00 . A A . 1 TYR CB 1 1 5 2016 1 1 1 TYR CD1 C -10.088 -5.331 -10.533 1.00 . A A . 1 TYR CD1 1 1 5 2017 1 1 1 TYR CD2 C -9.330 -3.226 -9.692 1.00 . A A . 1 TYR CD2 1 1 5 2018 1 1 1 TYR CE1 C -10.205 -5.827 -9.186 1.00 . A A . 1 TYR CE1 1 1 5 2019 1 1 1 TYR CE2 C -9.446 -3.722 -8.345 1.00 . A A . 1 TYR CE2 1 1 5 2020 1 1 1 TYR CG C -9.653 -4.041 -10.758 1.00 . A A . 1 TYR CG 1 1 5 2021 1 1 1 TYR CZ C -9.878 -4.998 -8.158 1.00 . A A . 1 TYR CZ 1 1 5 2022 1 1 1 TYR H1 H -11.912 -1.624 -12.432 1.00 . A A . 1 TYR H1 1 1 5 2023 1 1 1 TYR HA H -10.789 -2.873 -13.885 1.00 . A A . 1 TYR HA 1 1 5 2024 1 1 1 TYR HB2 H -8.894 -4.190 -12.760 1.00 . A A . 1 TYR HB2 1 1 5 2025 1 1 1 TYR HB3 H -9.027 -2.547 -12.167 1.00 . A A . 1 TYR HB3 1 1 5 2026 1 1 1 TYR HD1 H -10.344 -5.975 -11.374 1.00 . A A . 1 TYR HD1 1 1 5 2027 1 1 1 TYR HD2 H -8.986 -2.207 -9.870 1.00 . A A . 1 TYR HD2 1 1 5 2028 1 1 1 TYR HE1 H -10.547 -6.844 -8.994 1.00 . A A . 1 TYR HE1 1 1 5 2029 1 1 1 TYR HE2 H -9.194 -3.089 -7.494 1.00 . A A . 1 TYR HE2 1 1 5 2030 1 1 1 TYR HH H -10.952 -5.587 -6.648 1.00 . A A . 1 TYR HH 1 1 5 2031 1 1 1 TYR N N -11.693 -2.525 -12.058 1.00 . A A . 1 TYR N 1 1 5 2032 1 1 1 TYR O O -12.608 -4.992 -12.635 1.00 . A A . 1 TYR O 1 1 5 2033 1 1 1 TYR OH O -9.988 -5.467 -6.886 1.00 . A A . 1 TYR OH 1 1 5 2034 1 1 2 ALA C C -10.675 -7.896 -12.948 1.00 . A A . 2 ALA C 1 1 5 2035 1 1 2 ALA CA C -11.224 -6.961 -14.027 1.00 . A A . 2 ALA CA 1 1 5 2036 1 1 2 ALA CB C -10.812 -7.391 -15.436 1.00 . A A . 2 ALA CB 1 1 5 2037 1 1 2 ALA H H -9.851 -5.400 -14.148 1.00 . A A . 2 ALA H 1 1 5 2038 1 1 2 ALA HA H -12.313 -6.950 -13.967 1.00 . A A . 2 ALA HA 1 1 5 2039 1 1 2 ALA HB1 H -9.726 -7.362 -15.522 1.00 . A A . 2 ALA HB1 1 1 5 2040 1 1 2 ALA HB2 H -11.164 -8.405 -15.624 1.00 . A A . 2 ALA HB2 1 1 5 2041 1 1 2 ALA HB3 H -11.253 -6.712 -16.166 1.00 . A A . 2 ALA HB3 1 1 5 2042 1 1 2 ALA N N -10.755 -5.609 -13.775 1.00 . A A . 2 ALA N 1 1 5 2043 1 1 2 ALA O O -11.392 -8.763 -12.449 1.00 . A A . 2 ALA O 1 1 5 2044 1 1 3 PHE C C -7.553 -7.771 -11.008 1.00 . A A . 3 PHE C 1 1 5 2045 1 1 3 PHE CA C -8.755 -8.503 -11.608 1.00 . A A . 3 PHE CA 1 1 5 2046 1 1 3 PHE CB C -8.267 -9.775 -12.305 1.00 . A A . 3 PHE CB 1 1 5 2047 1 1 3 PHE CD1 C -7.836 -9.180 -14.699 1.00 . A A . 3 PHE CD1 1 1 5 2048 1 1 3 PHE CD2 C -5.981 -9.624 -13.316 1.00 . A A . 3 PHE CD2 1 1 5 2049 1 1 3 PHE CE1 C -6.963 -8.941 -15.793 1.00 . A A . 3 PHE CE1 1 1 5 2050 1 1 3 PHE CE2 C -5.108 -9.384 -14.411 1.00 . A A . 3 PHE CE2 1 1 5 2051 1 1 3 PHE CG C -7.327 -9.517 -13.484 1.00 . A A . 3 PHE CG 1 1 5 2052 1 1 3 PHE CZ C -5.618 -9.048 -15.626 1.00 . A A . 3 PHE CZ 1 1 5 2053 1 1 3 PHE H H -8.833 -6.982 -13.029 1.00 . A A . 3 PHE H 1 1 5 2054 1 1 3 PHE HA H -9.488 -8.697 -10.825 1.00 . A A . 3 PHE HA 1 1 5 2055 1 1 3 PHE HB2 H -7.755 -10.403 -11.576 1.00 . A A . 3 PHE HB2 1 1 5 2056 1 1 3 PHE HB3 H -9.131 -10.337 -12.659 1.00 . A A . 3 PHE HB3 1 1 5 2057 1 1 3 PHE HD1 H -8.914 -9.094 -14.833 1.00 . A A . 3 PHE HD1 1 1 5 2058 1 1 3 PHE HD2 H -5.573 -9.893 -12.342 1.00 . A A . 3 PHE HD2 1 1 5 2059 1 1 3 PHE HE1 H -7.372 -8.671 -16.767 1.00 . A A . 3 PHE HE1 1 1 5 2060 1 1 3 PHE HE2 H -4.030 -9.470 -14.277 1.00 . A A . 3 PHE HE2 1 1 5 2061 1 1 3 PHE HZ H -4.948 -8.864 -16.466 1.00 . A A . 3 PHE HZ 1 1 5 2062 1 1 3 PHE N N -9.409 -7.689 -12.619 1.00 . A A . 3 PHE N 1 1 5 2063 1 1 3 PHE O O -7.359 -7.780 -9.793 1.00 . A A . 3 PHE O 1 1 5 2064 1 1 4 ALA C C -4.989 -5.697 -12.662 1.00 . A A . 4 ALA C 1 1 5 2065 1 1 4 ALA CA C -5.598 -6.420 -11.459 1.00 . A A . 4 ALA CA 1 1 5 2066 1 1 4 ALA CB C -4.611 -7.380 -10.794 1.00 . A A . 4 ALA CB 1 1 5 2067 1 1 4 ALA H H -6.941 -7.153 -12.873 1.00 . A A . 4 ALA H 1 1 5 2068 1 1 4 ALA HA H -5.918 -5.680 -10.725 1.00 . A A . 4 ALA HA 1 1 5 2069 1 1 4 ALA HB1 H -3.678 -6.856 -10.586 1.00 . A A . 4 ALA HB1 1 1 5 2070 1 1 4 ALA HB2 H -5.036 -7.749 -9.860 1.00 . A A . 4 ALA HB2 1 1 5 2071 1 1 4 ALA HB3 H -4.415 -8.220 -11.460 1.00 . A A . 4 ALA HB3 1 1 5 2072 1 1 4 ALA N N -6.776 -7.155 -11.887 1.00 . A A . 4 ALA N 1 1 5 2073 1 1 4 ALA O O -3.781 -5.765 -12.884 1.00 . A A . 4 ALA O 1 1 5 2074 1 1 5 CYS C C -4.514 -3.139 -14.122 1.00 . A A . 5 CYS C 1 1 5 2075 1 1 5 CYS CA C -5.413 -4.289 -14.582 1.00 . A A . 5 CYS CA 1 1 5 2076 1 1 5 CYS CB C -6.598 -3.790 -15.412 1.00 . A A . 5 CYS CB 1 1 5 2077 1 1 5 CYS H H -6.833 -4.973 -13.219 1.00 . A A . 5 CYS H 1 1 5 2078 1 1 5 CYS HA H -4.856 -4.992 -15.200 1.00 . A A . 5 CYS HA 1 1 5 2079 1 1 5 CYS HB2 H -7.513 -3.839 -14.822 1.00 . A A . 5 CYS HB2 1 1 5 2080 1 1 5 CYS HB3 H -6.449 -2.744 -15.682 1.00 . A A . 5 CYS HB3 1 1 5 2081 1 1 5 CYS HG H -6.361 -5.945 -16.374 1.00 . A A . 5 CYS HG 1 1 5 2082 1 1 5 CYS N N -5.852 -5.023 -13.407 1.00 . A A . 5 CYS N 1 1 5 2083 1 1 5 CYS O O -3.391 -2.995 -14.601 1.00 . A A . 5 CYS O 1 1 5 2084 1 1 5 CYS SG S -6.775 -4.806 -16.923 1.00 . A A . 5 CYS SG 1 1 5 2085 1 1 6 PRO C C -3.227 -1.659 -11.675 1.00 . A A . 6 PRO C 1 1 5 2086 1 1 6 PRO CA C -4.316 -1.197 -12.644 1.00 . A A . 6 PRO CA 1 1 5 2087 1 1 6 PRO CB C -5.364 -0.316 -11.984 1.00 . A A . 6 PRO CB 1 1 5 2088 1 1 6 PRO CD C -6.385 -2.469 -12.583 1.00 . A A . 6 PRO CD 1 1 5 2089 1 1 6 PRO CG C -6.576 -1.205 -11.761 1.00 . A A . 6 PRO CG 1 1 5 2090 1 1 6 PRO HA H -3.841 -0.717 -13.382 1.00 . A A . 6 PRO HA 1 1 5 2091 1 1 6 PRO HB2 H -4.997 0.088 -11.040 1.00 . A A . 6 PRO HB2 1 1 5 2092 1 1 6 PRO HB3 H -5.615 0.535 -12.617 1.00 . A A . 6 PRO HB3 1 1 5 2093 1 1 6 PRO HD2 H -6.449 -3.361 -11.960 1.00 . A A . 6 PRO HD2 1 1 5 2094 1 1 6 PRO HD3 H -7.152 -2.561 -13.352 1.00 . A A . 6 PRO HD3 1 1 5 2095 1 1 6 PRO HG2 H -6.681 -1.450 -10.704 1.00 . A A . 6 PRO HG2 1 1 5 2096 1 1 6 PRO HG3 H -7.489 -0.689 -12.060 1.00 . A A . 6 PRO HG3 1 1 5 2097 1 1 6 PRO N N -5.057 -2.329 -13.174 1.00 . A A . 6 PRO N 1 1 5 2098 1 1 6 PRO O O -2.486 -0.841 -11.132 1.00 . A A . 6 PRO O 1 1 5 2099 1 1 7 ALA C C -2.702 -3.496 -9.156 1.00 . A A . 7 ALA C 1 1 5 2100 1 1 7 ALA CA C -2.177 -3.551 -10.593 1.00 . A A . 7 ALA CA 1 1 5 2101 1 1 7 ALA CB C -0.845 -2.815 -10.754 1.00 . A A . 7 ALA CB 1 1 5 2102 1 1 7 ALA H H -3.770 -3.628 -11.933 1.00 . A A . 7 ALA H 1 1 5 2103 1 1 7 ALA HA H -2.040 -4.593 -10.881 1.00 . A A . 7 ALA HA 1 1 5 2104 1 1 7 ALA HB1 H -0.752 -2.454 -11.779 1.00 . A A . 7 ALA HB1 1 1 5 2105 1 1 7 ALA HB2 H -0.811 -1.970 -10.067 1.00 . A A . 7 ALA HB2 1 1 5 2106 1 1 7 ALA HB3 H -0.025 -3.498 -10.533 1.00 . A A . 7 ALA HB3 1 1 5 2107 1 1 7 ALA N N -3.164 -2.969 -11.487 1.00 . A A . 7 ALA N 1 1 5 2108 1 1 7 ALA O O -3.065 -4.523 -8.585 1.00 . A A . 7 ALA O 1 1 5 2109 1 1 8 CYS C C -4.727 -1.985 -7.291 1.00 . A A . 8 CYS C 1 1 5 2110 1 1 8 CYS CA C -3.201 -2.086 -7.256 1.00 . A A . 8 CYS CA 1 1 5 2111 1 1 8 CYS CB C -2.562 -0.854 -6.611 1.00 . A A . 8 CYS CB 1 1 5 2112 1 1 8 CYS H H -2.430 -1.457 -9.086 1.00 . A A . 8 CYS H 1 1 5 2113 1 1 8 CYS HA H -2.884 -2.955 -6.681 1.00 . A A . 8 CYS HA 1 1 5 2114 1 1 8 CYS HB2 H -1.762 -0.475 -7.246 1.00 . A A . 8 CYS HB2 1 1 5 2115 1 1 8 CYS HB3 H -3.301 -0.058 -6.518 1.00 . A A . 8 CYS HB3 1 1 5 2116 1 1 8 CYS HG H -1.941 -0.052 -4.466 1.00 . A A . 8 CYS HG 1 1 5 2117 1 1 8 CYS N N -2.727 -2.287 -8.614 1.00 . A A . 8 CYS N 1 1 5 2118 1 1 8 CYS O O -5.287 -1.266 -8.117 1.00 . A A . 8 CYS O 1 1 5 2119 1 1 8 CYS SG S -1.899 -1.286 -4.961 1.00 . A A . 8 CYS SG 1 1 5 2120 1 1 9 PRO C C -7.339 -1.443 -5.640 1.00 . A A . 9 PRO C 1 1 5 2121 1 1 9 PRO CA C -6.825 -2.737 -6.275 1.00 . A A . 9 PRO CA 1 1 5 2122 1 1 9 PRO CB C -7.170 -3.975 -5.463 1.00 . A A . 9 PRO CB 1 1 5 2123 1 1 9 PRO CD C -4.744 -3.598 -5.364 1.00 . A A . 9 PRO CD 1 1 5 2124 1 1 9 PRO CG C -5.896 -4.363 -4.731 1.00 . A A . 9 PRO CG 1 1 5 2125 1 1 9 PRO HA H -7.225 -2.770 -7.190 1.00 . A A . 9 PRO HA 1 1 5 2126 1 1 9 PRO HB2 H -7.977 -3.768 -4.760 1.00 . A A . 9 PRO HB2 1 1 5 2127 1 1 9 PRO HB3 H -7.511 -4.783 -6.110 1.00 . A A . 9 PRO HB3 1 1 5 2128 1 1 9 PRO HD2 H -4.200 -3.015 -4.621 1.00 . A A . 9 PRO HD2 1 1 5 2129 1 1 9 PRO HD3 H -4.025 -4.275 -5.826 1.00 . A A . 9 PRO HD3 1 1 5 2130 1 1 9 PRO HG2 H -5.976 -4.123 -3.671 1.00 . A A . 9 PRO HG2 1 1 5 2131 1 1 9 PRO HG3 H -5.726 -5.437 -4.803 1.00 . A A . 9 PRO HG3 1 1 5 2132 1 1 9 PRO N N -5.374 -2.735 -6.359 1.00 . A A . 9 PRO N 1 1 5 2133 1 1 9 PRO O O -6.611 -0.455 -5.559 1.00 . A A . 9 PRO O 1 1 5 2134 1 1 10 LYS C C -9.551 -0.668 -3.129 1.00 . A A . 10 LYS C 1 1 5 2135 1 1 10 LYS CA C -9.211 -0.335 -4.583 1.00 . A A . 10 LYS CA 1 1 5 2136 1 1 10 LYS CB C -10.412 0.137 -5.403 1.00 . A A . 10 LYS CB 1 1 5 2137 1 1 10 LYS CD C -10.788 2.588 -5.867 1.00 . A A . 10 LYS CD 1 1 5 2138 1 1 10 LYS CE C -10.236 3.822 -6.583 1.00 . A A . 10 LYS CE 1 1 5 2139 1 1 10 LYS CG C -10.037 1.325 -6.293 1.00 . A A . 10 LYS CG 1 1 5 2140 1 1 10 LYS H H -9.176 -2.298 -5.277 1.00 . A A . 10 LYS H 1 1 5 2141 1 1 10 LYS HA H -8.478 0.472 -4.590 1.00 . A A . 10 LYS HA 1 1 5 2142 1 1 10 LYS HB2 H -10.781 -0.682 -6.021 1.00 . A A . 10 LYS HB2 1 1 5 2143 1 1 10 LYS HB3 H -11.225 0.422 -4.735 1.00 . A A . 10 LYS HB3 1 1 5 2144 1 1 10 LYS HD2 H -11.849 2.477 -6.090 1.00 . A A . 10 LYS HD2 1 1 5 2145 1 1 10 LYS HD3 H -10.701 2.720 -4.788 1.00 . A A . 10 LYS HD3 1 1 5 2146 1 1 10 LYS HE2 H -9.374 4.210 -6.040 1.00 . A A . 10 LYS HE2 1 1 5 2147 1 1 10 LYS HE3 H -9.887 3.546 -7.579 1.00 . A A . 10 LYS HE3 1 1 5 2148 1 1 10 LYS HG2 H -8.962 1.500 -6.237 1.00 . A A . 10 LYS HG2 1 1 5 2149 1 1 10 LYS HG3 H -10.268 1.093 -7.332 1.00 . A A . 10 LYS HG3 1 1 5 2150 1 1 10 LYS HZ1 H -10.842 5.768 -6.725 1.00 . A A . 10 LYS HZ1 1 1 5 2151 1 1 10 LYS HZ2 H -11.813 4.723 -7.520 1.00 . A A . 10 LYS HZ2 1 1 5 2152 1 1 10 LYS HZ3 H -11.879 4.821 -5.892 1.00 . A A . 10 LYS HZ3 1 1 5 2153 1 1 10 LYS N N -8.590 -1.491 -5.207 1.00 . A A . 10 LYS N 1 1 5 2154 1 1 10 LYS NZ N -11.277 4.869 -6.689 1.00 . A A . 10 LYS NZ 1 1 5 2155 1 1 10 LYS O O -10.713 -0.605 -2.730 1.00 . A A . 10 LYS O 1 1 5 2156 1 1 11 ARG C C -7.341 -1.681 -0.335 1.00 . A A . 11 ARG C 1 1 5 2157 1 1 11 ARG CA C -8.692 -1.357 -0.975 1.00 . A A . 11 ARG CA 1 1 5 2158 1 1 11 ARG CB C -9.627 -2.558 -0.815 1.00 . A A . 11 ARG CB 1 1 5 2159 1 1 11 ARG CD C -9.163 -3.745 1.361 1.00 . A A . 11 ARG CD 1 1 5 2160 1 1 11 ARG CG C -10.054 -2.729 0.644 1.00 . A A . 11 ARG CG 1 1 5 2161 1 1 11 ARG CZ C -10.164 -5.881 0.559 1.00 . A A . 11 ARG CZ 1 1 5 2162 1 1 11 ARG H H -7.575 -1.062 -2.709 1.00 . A A . 11 ARG H 1 1 5 2163 1 1 11 ARG HA H -9.137 -0.469 -0.525 1.00 . A A . 11 ARG HA 1 1 5 2164 1 1 11 ARG HB2 H -10.508 -2.424 -1.442 1.00 . A A . 11 ARG HB2 1 1 5 2165 1 1 11 ARG HB3 H -9.125 -3.462 -1.159 1.00 . A A . 11 ARG HB3 1 1 5 2166 1 1 11 ARG HD2 H -8.151 -3.350 1.456 1.00 . A A . 11 ARG HD2 1 1 5 2167 1 1 11 ARG HD3 H -9.534 -3.917 2.372 1.00 . A A . 11 ARG HD3 1 1 5 2168 1 1 11 ARG HE H -8.307 -5.250 0.105 1.00 . A A . 11 ARG HE 1 1 5 2169 1 1 11 ARG HG2 H -10.003 -1.768 1.157 1.00 . A A . 11 ARG HG2 1 1 5 2170 1 1 11 ARG HG3 H -11.093 -3.057 0.687 1.00 . A A . 11 ARG HG3 1 1 5 2171 1 1 11 ARG HH11 H -11.381 -4.767 1.748 1.00 . A A . 11 ARG HH11 1 1 5 2172 1 1 11 ARG HH12 H -12.063 -6.255 1.182 1.00 . A A . 11 ARG HH12 1 1 5 2173 1 1 11 ARG HH21 H -9.207 -7.213 -0.642 1.00 . A A . 11 ARG HH21 1 1 5 2174 1 1 11 ARG HH22 H -10.818 -7.656 -0.187 1.00 . A A . 11 ARG HH22 1 1 5 2175 1 1 11 ARG N N -8.517 -1.014 -2.376 1.00 . A A . 11 ARG N 1 1 5 2176 1 1 11 ARG NE N -9.140 -5.018 0.608 1.00 . A A . 11 ARG NE 1 1 5 2177 1 1 11 ARG NH1 N -11.299 -5.612 1.219 1.00 . A A . 11 ARG NH1 1 1 5 2178 1 1 11 ARG NH2 N -10.054 -7.012 -0.150 1.00 . A A . 11 ARG NH2 1 1 5 2179 1 1 11 ARG O O -7.102 -1.344 0.823 1.00 . A A . 11 ARG O 1 1 5 2180 1 1 12 PHE C C -4.283 -1.473 -0.465 1.00 . A A . 12 PHE C 1 1 5 2181 1 1 12 PHE CA C -5.172 -2.706 -0.641 1.00 . A A . 12 PHE CA 1 1 5 2182 1 1 12 PHE CB C -4.555 -3.618 -1.704 1.00 . A A . 12 PHE CB 1 1 5 2183 1 1 12 PHE CD1 C -2.859 -5.020 -0.510 1.00 . A A . 12 PHE CD1 1 1 5 2184 1 1 12 PHE CD2 C -2.082 -3.408 -2.042 1.00 . A A . 12 PHE CD2 1 1 5 2185 1 1 12 PHE CE1 C -1.519 -5.404 -0.235 1.00 . A A . 12 PHE CE1 1 1 5 2186 1 1 12 PHE CE2 C -0.743 -3.792 -1.767 1.00 . A A . 12 PHE CE2 1 1 5 2187 1 1 12 PHE CG C -3.112 -4.031 -1.408 1.00 . A A . 12 PHE CG 1 1 5 2188 1 1 12 PHE CZ C -0.490 -4.781 -0.869 1.00 . A A . 12 PHE CZ 1 1 5 2189 1 1 12 PHE H H -6.695 -2.603 -2.059 1.00 . A A . 12 PHE H 1 1 5 2190 1 1 12 PHE HA H -5.303 -3.198 0.322 1.00 . A A . 12 PHE HA 1 1 5 2191 1 1 12 PHE HB2 H -5.167 -4.515 -1.799 1.00 . A A . 12 PHE HB2 1 1 5 2192 1 1 12 PHE HB3 H -4.586 -3.108 -2.667 1.00 . A A . 12 PHE HB3 1 1 5 2193 1 1 12 PHE HD1 H -3.684 -5.519 -0.001 1.00 . A A . 12 PHE HD1 1 1 5 2194 1 1 12 PHE HD2 H -2.285 -2.615 -2.762 1.00 . A A . 12 PHE HD2 1 1 5 2195 1 1 12 PHE HE1 H -1.316 -6.197 0.485 1.00 . A A . 12 PHE HE1 1 1 5 2196 1 1 12 PHE HE2 H 0.082 -3.293 -2.276 1.00 . A A . 12 PHE HE2 1 1 5 2197 1 1 12 PHE HZ H 0.538 -5.076 -0.658 1.00 . A A . 12 PHE HZ 1 1 5 2198 1 1 12 PHE N N -6.493 -2.332 -1.117 1.00 . A A . 12 PHE N 1 1 5 2199 1 1 12 PHE O O -3.565 -1.358 0.527 1.00 . A A . 12 PHE O 1 1 5 2200 1 1 13 MET C C -3.694 1.330 -0.051 1.00 . A A . 13 MET C 1 1 5 2201 1 1 13 MET CA C -3.572 0.637 -1.409 1.00 . A A . 13 MET CA 1 1 5 2202 1 1 13 MET CB C -4.050 1.585 -2.511 1.00 . A A . 13 MET CB 1 1 5 2203 1 1 13 MET CE C -6.215 2.867 -4.967 1.00 . A A . 13 MET CE 1 1 5 2204 1 1 13 MET CG C -5.567 1.495 -2.692 1.00 . A A . 13 MET CG 1 1 5 2205 1 1 13 MET H H -4.947 -0.685 -2.247 1.00 . A A . 13 MET H 1 1 5 2206 1 1 13 MET HA H -2.541 0.324 -1.575 1.00 . A A . 13 MET HA 1 1 5 2207 1 1 13 MET HB2 H -3.770 2.608 -2.262 1.00 . A A . 13 MET HB2 1 1 5 2208 1 1 13 MET HB3 H -3.553 1.338 -3.449 1.00 . A A . 13 MET HB3 1 1 5 2209 1 1 13 MET HE1 H -6.977 2.140 -5.247 1.00 . A A . 13 MET HE1 1 1 5 2210 1 1 13 MET HE2 H -6.430 3.822 -5.447 1.00 . A A . 13 MET HE2 1 1 5 2211 1 1 13 MET HE3 H -5.236 2.511 -5.289 1.00 . A A . 13 MET HE3 1 1 5 2212 1 1 13 MET HG2 H -5.808 0.740 -3.440 1.00 . A A . 13 MET HG2 1 1 5 2213 1 1 13 MET HG3 H -6.035 1.180 -1.759 1.00 . A A . 13 MET HG3 1 1 5 2214 1 1 13 MET N N -4.361 -0.583 -1.444 1.00 . A A . 13 MET N 1 1 5 2215 1 1 13 MET O O -2.819 2.104 0.336 1.00 . A A . 13 MET O 1 1 5 2216 1 1 13 MET SD S -6.217 3.079 -3.195 1.00 . A A . 13 MET SD 1 1 5 2217 1 1 14 ARG C C -4.258 0.849 3.021 1.00 . A A . 14 ARG C 1 1 5 2218 1 1 14 ARG CA C -5.032 1.612 1.944 1.00 . A A . 14 ARG CA 1 1 5 2219 1 1 14 ARG CB C -6.524 1.589 2.285 1.00 . A A . 14 ARG CB 1 1 5 2220 1 1 14 ARG CD C -8.856 1.852 1.363 1.00 . A A . 14 ARG CD 1 1 5 2221 1 1 14 ARG CG C -7.364 2.067 1.099 1.00 . A A . 14 ARG CG 1 1 5 2222 1 1 14 ARG CZ C -10.971 2.700 0.354 1.00 . A A . 14 ARG CZ 1 1 5 2223 1 1 14 ARG H H -5.492 0.397 0.315 1.00 . A A . 14 ARG H 1 1 5 2224 1 1 14 ARG HA H -4.679 2.639 1.861 1.00 . A A . 14 ARG HA 1 1 5 2225 1 1 14 ARG HB2 H -6.821 0.577 2.562 1.00 . A A . 14 ARG HB2 1 1 5 2226 1 1 14 ARG HB3 H -6.713 2.225 3.149 1.00 . A A . 14 ARG HB3 1 1 5 2227 1 1 14 ARG HD2 H -9.072 0.786 1.431 1.00 . A A . 14 ARG HD2 1 1 5 2228 1 1 14 ARG HD3 H -9.132 2.296 2.320 1.00 . A A . 14 ARG HD3 1 1 5 2229 1 1 14 ARG HE H -9.183 2.710 -0.570 1.00 . A A . 14 ARG HE 1 1 5 2230 1 1 14 ARG HG2 H -7.172 3.124 0.915 1.00 . A A . 14 ARG HG2 1 1 5 2231 1 1 14 ARG HG3 H -7.069 1.528 0.199 1.00 . A A . 14 ARG HG3 1 1 5 2232 1 1 14 ARG HH11 H -11.165 1.968 2.241 1.00 . A A . 14 ARG HH11 1 1 5 2233 1 1 14 ARG HH12 H -12.627 2.561 1.526 1.00 . A A . 14 ARG HH12 1 1 5 2234 1 1 14 ARG HH21 H -11.111 3.492 -1.514 1.00 . A A . 14 ARG HH21 1 1 5 2235 1 1 14 ARG HH22 H -12.596 3.433 -0.625 1.00 . A A . 14 ARG HH22 1 1 5 2236 1 1 14 ARG N N -4.785 1.027 0.637 1.00 . A A . 14 ARG N 1 1 5 2237 1 1 14 ARG NE N -9.655 2.461 0.276 1.00 . A A . 14 ARG NE 1 1 5 2238 1 1 14 ARG NH1 N -11.645 2.383 1.468 1.00 . A A . 14 ARG NH1 1 1 5 2239 1 1 14 ARG NH2 N -11.614 3.255 -0.683 1.00 . A A . 14 ARG NH2 1 1 5 2240 1 1 14 ARG O O -3.563 1.453 3.836 1.00 . A A . 14 ARG O 1 1 5 2241 1 1 15 SER C C -2.215 -1.109 3.866 1.00 . A A . 15 SER C 1 1 5 2242 1 1 15 SER CA C -3.728 -1.319 3.953 1.00 . A A . 15 SER CA 1 1 5 2243 1 1 15 SER CB C -4.073 -2.792 3.725 1.00 . A A . 15 SER CB 1 1 5 2244 1 1 15 SER H H -4.972 -0.951 2.323 1.00 . A A . 15 SER H 1 1 5 2245 1 1 15 SER HA H -4.102 -1.006 4.928 1.00 . A A . 15 SER HA 1 1 5 2246 1 1 15 SER HB2 H -4.621 -2.895 2.787 1.00 . A A . 15 SER HB2 1 1 5 2247 1 1 15 SER HB3 H -3.154 -3.368 3.621 1.00 . A A . 15 SER HB3 1 1 5 2248 1 1 15 SER HG H -5.051 -4.294 4.616 1.00 . A A . 15 SER HG 1 1 5 2249 1 1 15 SER N N -4.405 -0.467 2.990 1.00 . A A . 15 SER N 1 1 5 2250 1 1 15 SER O O -1.478 -1.495 4.772 1.00 . A A . 15 SER O 1 1 5 2251 1 1 15 SER OG O -4.852 -3.329 4.790 1.00 . A A . 15 SER OG 1 1 5 2252 1 1 16 ASP C C -0.078 1.216 2.942 1.00 . A A . 16 ASP C 1 1 5 2253 1 1 16 ASP CA C -0.386 -0.231 2.550 1.00 . A A . 16 ASP CA 1 1 5 2254 1 1 16 ASP CB C -0.011 -0.412 1.078 1.00 . A A . 16 ASP CB 1 1 5 2255 1 1 16 ASP CG C 0.731 -1.710 0.754 1.00 . A A . 16 ASP CG 1 1 5 2256 1 1 16 ASP H H -2.404 -0.186 2.035 1.00 . A A . 16 ASP H 1 1 5 2257 1 1 16 ASP HA H 0.141 -0.953 3.173 1.00 . A A . 16 ASP HA 1 1 5 2258 1 1 16 ASP HB2 H -0.922 -0.373 0.479 1.00 . A A . 16 ASP HB2 1 1 5 2259 1 1 16 ASP HB3 H 0.608 0.430 0.770 1.00 . A A . 16 ASP HB3 1 1 5 2260 1 1 16 ASP N N -1.797 -0.497 2.767 1.00 . A A . 16 ASP N 1 1 5 2261 1 1 16 ASP O O 1.076 1.564 3.187 1.00 . A A . 16 ASP O 1 1 5 2262 1 1 16 ASP OD1 O 1.340 -2.265 1.694 1.00 . A A . 16 ASP OD1 1 1 5 2263 1 1 16 ASP OD2 O 0.674 -2.117 -0.426 1.00 . A A . 16 ASP OD2 1 1 5 2264 1 1 17 ALA C C -1.068 3.565 4.867 1.00 . A A . 17 ALA C 1 1 5 2265 1 1 17 ALA CA C -0.987 3.420 3.346 1.00 . A A . 17 ALA CA 1 1 5 2266 1 1 17 ALA CB C -2.055 4.244 2.624 1.00 . A A . 17 ALA CB 1 1 5 2267 1 1 17 ALA H H -2.065 1.728 2.787 1.00 . A A . 17 ALA H 1 1 5 2268 1 1 17 ALA HA H -0.003 3.750 3.010 1.00 . A A . 17 ALA HA 1 1 5 2269 1 1 17 ALA HB1 H -1.675 5.249 2.438 1.00 . A A . 17 ALA HB1 1 1 5 2270 1 1 17 ALA HB2 H -2.301 3.767 1.675 1.00 . A A . 17 ALA HB2 1 1 5 2271 1 1 17 ALA HB3 H -2.949 4.302 3.244 1.00 . A A . 17 ALA HB3 1 1 5 2272 1 1 17 ALA N N -1.130 2.019 2.988 1.00 . A A . 17 ALA N 1 1 5 2273 1 1 17 ALA O O -1.396 4.636 5.376 1.00 . A A . 17 ALA O 1 1 5 2274 1 1 18 LEU C C 0.086 1.329 7.523 1.00 . A A . 18 LEU C 1 1 5 2275 1 1 18 LEU CA C -0.799 2.463 7.003 1.00 . A A . 18 LEU CA 1 1 5 2276 1 1 18 LEU CB C -2.243 2.394 7.504 1.00 . A A . 18 LEU CB 1 1 5 2277 1 1 18 LEU CD1 C -2.211 -0.021 6.781 1.00 . A A . 18 LEU CD1 1 1 5 2278 1 1 18 LEU CD2 C -2.570 0.576 9.220 1.00 . A A . 18 LEU CD2 1 1 5 2279 1 1 18 LEU CG C -2.797 0.992 7.765 1.00 . A A . 18 LEU CG 1 1 5 2280 1 1 18 LEU H H -0.499 1.604 5.129 1.00 . A A . 18 LEU H 1 1 5 2281 1 1 18 LEU HA H -0.384 3.411 7.345 1.00 . A A . 18 LEU HA 1 1 5 2282 1 1 18 LEU HB2 H -2.314 2.970 8.427 1.00 . A A . 18 LEU HB2 1 1 5 2283 1 1 18 LEU HB3 H -2.884 2.886 6.772 1.00 . A A . 18 LEU HB3 1 1 5 2284 1 1 18 LEU HD11 H -1.888 0.495 5.877 1.00 . A A . 18 LEU HD11 1 1 5 2285 1 1 18 LEU HD12 H -1.357 -0.520 7.239 1.00 . A A . 18 LEU HD12 1 1 5 2286 1 1 18 LEU HD13 H -2.969 -0.761 6.525 1.00 . A A . 18 LEU HD13 1 1 5 2287 1 1 18 LEU HD21 H -2.044 1.372 9.748 1.00 . A A . 18 LEU HD21 1 1 5 2288 1 1 18 LEU HD22 H -3.532 0.395 9.700 1.00 . A A . 18 LEU HD22 1 1 5 2289 1 1 18 LEU HD23 H -1.972 -0.335 9.248 1.00 . A A . 18 LEU HD23 1 1 5 2290 1 1 18 LEU HG H -3.874 1.014 7.601 1.00 . A A . 18 LEU HG 1 1 5 2291 1 1 18 LEU N N -0.764 2.471 5.550 1.00 . A A . 18 LEU N 1 1 5 2292 1 1 18 LEU O O -0.108 0.846 8.638 1.00 . A A . 18 LEU O 1 1 5 2293 1 1 19 SER C C 3.387 0.255 6.674 1.00 . A A . 19 SER C 1 1 5 2294 1 1 19 SER CA C 1.957 -0.131 7.054 1.00 . A A . 19 SER CA 1 1 5 2295 1 1 19 SER CB C 1.564 -1.446 6.378 1.00 . A A . 19 SER CB 1 1 5 2296 1 1 19 SER H H 1.192 1.335 5.787 1.00 . A A . 19 SER H 1 1 5 2297 1 1 19 SER HA H 1.863 -0.237 8.135 1.00 . A A . 19 SER HA 1 1 5 2298 1 1 19 SER HB2 H 1.004 -1.233 5.468 1.00 . A A . 19 SER HB2 1 1 5 2299 1 1 19 SER HB3 H 2.465 -1.983 6.079 1.00 . A A . 19 SER HB3 1 1 5 2300 1 1 19 SER HG H 0.739 -3.203 6.866 1.00 . A A . 19 SER HG 1 1 5 2301 1 1 19 SER N N 1.041 0.937 6.692 1.00 . A A . 19 SER N 1 1 5 2302 1 1 19 SER O O 4.258 0.351 7.537 1.00 . A A . 19 SER O 1 1 5 2303 1 1 19 SER OG O 0.782 -2.274 7.234 1.00 . A A . 19 SER OG 1 1 5 2304 1 1 20 LYS C C 5.113 2.339 5.094 1.00 . A A . 20 LYS C 1 1 5 2305 1 1 20 LYS CA C 4.896 0.840 4.876 1.00 . A A . 20 LYS CA 1 1 5 2306 1 1 20 LYS CB C 5.054 0.401 3.419 1.00 . A A . 20 LYS CB 1 1 5 2307 1 1 20 LYS CD C 3.264 0.062 1.675 1.00 . A A . 20 LYS CD 1 1 5 2308 1 1 20 LYS CE C 4.222 -0.975 1.086 1.00 . A A . 20 LYS CE 1 1 5 2309 1 1 20 LYS CG C 4.019 1.086 2.525 1.00 . A A . 20 LYS CG 1 1 5 2310 1 1 20 LYS H H 2.872 0.386 4.685 1.00 . A A . 20 LYS H 1 1 5 2311 1 1 20 LYS HA H 5.638 0.295 5.459 1.00 . A A . 20 LYS HA 1 1 5 2312 1 1 20 LYS HB2 H 6.058 0.641 3.069 1.00 . A A . 20 LYS HB2 1 1 5 2313 1 1 20 LYS HB3 H 4.942 -0.681 3.347 1.00 . A A . 20 LYS HB3 1 1 5 2314 1 1 20 LYS HD2 H 2.511 -0.438 2.285 1.00 . A A . 20 LYS HD2 1 1 5 2315 1 1 20 LYS HD3 H 2.735 0.572 0.870 1.00 . A A . 20 LYS HD3 1 1 5 2316 1 1 20 LYS HE2 H 5.236 -0.574 1.071 1.00 . A A . 20 LYS HE2 1 1 5 2317 1 1 20 LYS HE3 H 4.240 -1.862 1.719 1.00 . A A . 20 LYS HE3 1 1 5 2318 1 1 20 LYS HG2 H 3.313 1.644 3.140 1.00 . A A . 20 LYS HG2 1 1 5 2319 1 1 20 LYS HG3 H 4.515 1.808 1.875 1.00 . A A . 20 LYS HG3 1 1 5 2320 1 1 20 LYS HZ1 H 4.210 -0.704 -0.939 1.00 . A A . 20 LYS HZ1 1 1 5 2321 1 1 20 LYS HZ2 H 4.121 -2.272 -0.490 1.00 . A A . 20 LYS HZ2 1 1 5 2322 1 1 20 LYS HZ3 H 2.811 -1.308 -0.353 1.00 . A A . 20 LYS HZ3 1 1 5 2323 1 1 20 LYS N N 3.586 0.466 5.381 1.00 . A A . 20 LYS N 1 1 5 2324 1 1 20 LYS NZ N 3.808 -1.345 -0.285 1.00 . A A . 20 LYS NZ 1 1 5 2325 1 1 20 LYS O O 5.485 3.057 4.167 1.00 . A A . 20 LYS O 1 1 5 2326 1 1 21 HIS C C 4.900 4.336 8.190 1.00 . A A . 21 HIS C 1 1 5 2327 1 1 21 HIS CA C 5.036 4.167 6.675 1.00 . A A . 21 HIS CA 1 1 5 2328 1 1 21 HIS CB C 4.057 5.043 5.891 1.00 . A A . 21 HIS CB 1 1 5 2329 1 1 21 HIS CD2 C 3.089 6.426 7.886 1.00 . A A . 21 HIS CD2 1 1 5 2330 1 1 21 HIS CE1 C 0.967 6.265 7.375 1.00 . A A . 21 HIS CE1 1 1 5 2331 1 1 21 HIS CG C 2.991 5.687 6.743 1.00 . A A . 21 HIS CG 1 1 5 2332 1 1 21 HIS H H 4.570 2.176 7.072 1.00 . A A . 21 HIS H 1 1 5 2333 1 1 21 HIS HA H 6.046 4.448 6.376 1.00 . A A . 21 HIS HA 1 1 5 2334 1 1 21 HIS HB2 H 4.617 5.823 5.375 1.00 . A A . 21 HIS HB2 1 1 5 2335 1 1 21 HIS HB3 H 3.577 4.435 5.124 1.00 . A A . 21 HIS HB3 1 1 5 2336 1 1 21 HIS HD1 H 1.243 5.123 5.665 1.00 . A A . 21 HIS HD1 1 1 5 2337 1 1 21 HIS HD2 H 4.015 6.686 8.399 1.00 . A A . 21 HIS HD2 1 1 5 2338 1 1 21 HIS HE1 H -0.116 6.382 7.420 1.00 . A A . 21 HIS HE1 1 1 5 2339 1 1 21 HIS HE2 H 1.637 7.273 9.102 1.00 . A A . 21 HIS HE2 1 1 5 2340 1 1 21 HIS N N 4.872 2.767 6.324 1.00 . A A . 21 HIS N 1 1 5 2341 1 1 21 HIS ND1 N 1.641 5.603 6.447 1.00 . A A . 21 HIS ND1 1 1 5 2342 1 1 21 HIS NE2 N 1.866 6.775 8.266 1.00 . A A . 21 HIS NE2 1 1 5 2343 1 1 21 HIS O O 5.631 5.115 8.799 1.00 . A A . 21 HIS O 1 1 5 2344 1 1 22 ILE C C 4.582 2.601 10.886 1.00 . A A . 22 ILE C 1 1 5 2345 1 1 22 ILE CA C 3.717 3.650 10.185 1.00 . A A . 22 ILE CA 1 1 5 2346 1 1 22 ILE CB C 2.223 3.514 10.482 1.00 . A A . 22 ILE CB 1 1 5 2347 1 1 22 ILE CD1 C 0.379 1.866 10.977 1.00 . A A . 22 ILE CD1 1 1 5 2348 1 1 22 ILE CG1 C 1.774 2.054 10.379 1.00 . A A . 22 ILE CG1 1 1 5 2349 1 1 22 ILE CG2 C 1.398 4.432 9.578 1.00 . A A . 22 ILE CG2 1 1 5 2350 1 1 22 ILE H H 3.369 2.961 8.250 1.00 . A A . 22 ILE H 1 1 5 2351 1 1 22 ILE HA H 4.025 4.638 10.529 1.00 . A A . 22 ILE HA 1 1 5 2352 1 1 22 ILE HB H 2.048 3.832 11.510 1.00 . A A . 22 ILE HB 1 1 5 2353 1 1 22 ILE HD11 H 0.356 2.282 11.984 1.00 . A A . 22 ILE HD11 1 1 5 2354 1 1 22 ILE HD12 H -0.355 2.379 10.355 1.00 . A A . 22 ILE HD12 1 1 5 2355 1 1 22 ILE HD13 H 0.141 0.803 11.017 1.00 . A A . 22 ILE HD13 1 1 5 2356 1 1 22 ILE HG12 H 1.772 1.744 9.334 1.00 . A A . 22 ILE HG12 1 1 5 2357 1 1 22 ILE HG13 H 2.486 1.414 10.900 1.00 . A A . 22 ILE HG13 1 1 5 2358 1 1 22 ILE HG21 H 0.394 4.023 9.464 1.00 . A A . 22 ILE HG21 1 1 5 2359 1 1 22 ILE HG22 H 1.337 5.424 10.026 1.00 . A A . 22 ILE HG22 1 1 5 2360 1 1 22 ILE HG23 H 1.875 4.503 8.601 1.00 . A A . 22 ILE HG23 1 1 5 2361 1 1 22 ILE N N 3.959 3.593 8.753 1.00 . A A . 22 ILE N 1 1 5 2362 1 1 22 ILE O O 4.970 2.781 12.040 1.00 . A A . 22 ILE O 1 1 5 2363 1 1 23 LYS C C 7.145 0.727 10.395 1.00 . A A . 23 LYS C 1 1 5 2364 1 1 23 LYS CA C 5.671 0.450 10.699 1.00 . A A . 23 LYS CA 1 1 5 2365 1 1 23 LYS CB C 5.180 -0.902 10.178 1.00 . A A . 23 LYS CB 1 1 5 2366 1 1 23 LYS CD C 3.842 -1.388 12.260 1.00 . A A . 23 LYS CD 1 1 5 2367 1 1 23 LYS CE C 2.595 -2.107 12.778 1.00 . A A . 23 LYS CE 1 1 5 2368 1 1 23 LYS CG C 3.796 -1.235 10.739 1.00 . A A . 23 LYS CG 1 1 5 2369 1 1 23 LYS H H 4.540 1.389 9.223 1.00 . A A . 23 LYS H 1 1 5 2370 1 1 23 LYS HA H 5.536 0.447 11.780 1.00 . A A . 23 LYS HA 1 1 5 2371 1 1 23 LYS HB2 H 5.140 -0.885 9.089 1.00 . A A . 23 LYS HB2 1 1 5 2372 1 1 23 LYS HB3 H 5.887 -1.683 10.458 1.00 . A A . 23 LYS HB3 1 1 5 2373 1 1 23 LYS HD2 H 4.734 -1.947 12.546 1.00 . A A . 23 LYS HD2 1 1 5 2374 1 1 23 LYS HD3 H 3.920 -0.406 12.726 1.00 . A A . 23 LYS HD3 1 1 5 2375 1 1 23 LYS HE2 H 2.335 -1.730 13.767 1.00 . A A . 23 LYS HE2 1 1 5 2376 1 1 23 LYS HE3 H 1.749 -1.897 12.124 1.00 . A A . 23 LYS HE3 1 1 5 2377 1 1 23 LYS HG2 H 3.092 -0.448 10.470 1.00 . A A . 23 LYS HG2 1 1 5 2378 1 1 23 LYS HG3 H 3.429 -2.158 10.288 1.00 . A A . 23 LYS HG3 1 1 5 2379 1 1 23 LYS HZ1 H 3.749 -3.773 12.511 1.00 . A A . 23 LYS HZ1 1 1 5 2380 1 1 23 LYS HZ2 H 2.738 -3.878 13.789 1.00 . A A . 23 LYS HZ2 1 1 5 2381 1 1 23 LYS HZ3 H 2.155 -4.038 12.272 1.00 . A A . 23 LYS HZ3 1 1 5 2382 1 1 23 LYS N N 4.859 1.528 10.161 1.00 . A A . 23 LYS N 1 1 5 2383 1 1 23 LYS NZ N 2.828 -3.567 12.843 1.00 . A A . 23 LYS NZ 1 1 5 2384 1 1 23 LYS O O 7.980 -0.172 10.484 1.00 . A A . 23 LYS O 1 1 5 2385 1 1 24 THR C C 8.827 3.877 9.411 1.00 . A A . 24 THR C 1 1 5 2386 1 1 24 THR CA C 8.778 2.381 9.727 1.00 . A A . 24 THR CA 1 1 5 2387 1 1 24 THR CB C 9.280 1.501 8.580 1.00 . A A . 24 THR CB 1 1 5 2388 1 1 24 THR CG2 C 8.723 1.935 7.223 1.00 . A A . 24 THR CG2 1 1 5 2389 1 1 24 THR H H 6.735 2.699 9.975 1.00 . A A . 24 THR H 1 1 5 2390 1 1 24 THR HA H 9.400 2.219 10.608 1.00 . A A . 24 THR HA 1 1 5 2391 1 1 24 THR HB H 9.063 0.450 8.772 1.00 . A A . 24 THR HB 1 1 5 2392 1 1 24 THR HG1 H 10.817 2.782 8.606 1.00 . A A . 24 THR HG1 1 1 5 2393 1 1 24 THR HG21 H 7.646 2.085 7.303 1.00 . A A . 24 THR HG21 1 1 5 2394 1 1 24 THR HG22 H 9.198 2.867 6.916 1.00 . A A . 24 THR HG22 1 1 5 2395 1 1 24 THR HG23 H 8.928 1.162 6.482 1.00 . A A . 24 THR HG23 1 1 5 2396 1 1 24 THR N N 7.420 1.974 10.044 1.00 . A A . 24 THR N 1 1 5 2397 1 1 24 THR O O 8.207 4.333 8.452 1.00 . A A . 24 THR O 1 1 5 2398 1 1 24 THR OG1 O 10.670 1.799 8.496 1.00 . A A . 24 THR OG1 1 1 5 2399 1 1 25 ALA C C 11.039 6.332 9.361 1.00 . A A . 25 ALA C 1 1 5 2400 1 1 25 ALA CA C 9.709 6.034 10.057 1.00 . A A . 25 ALA CA 1 1 5 2401 1 1 25 ALA CB C 9.593 6.732 11.414 1.00 . A A . 25 ALA CB 1 1 5 2402 1 1 25 ALA H H 10.072 4.220 11.014 1.00 . A A . 25 ALA H 1 1 5 2403 1 1 25 ALA HA H 8.891 6.370 9.419 1.00 . A A . 25 ALA HA 1 1 5 2404 1 1 25 ALA HB1 H 10.588 6.999 11.772 1.00 . A A . 25 ALA HB1 1 1 5 2405 1 1 25 ALA HB2 H 8.991 7.634 11.309 1.00 . A A . 25 ALA HB2 1 1 5 2406 1 1 25 ALA HB3 H 9.119 6.060 12.129 1.00 . A A . 25 ALA HB3 1 1 5 2407 1 1 25 ALA N N 9.571 4.599 10.237 1.00 . A A . 25 ALA N 1 1 5 2408 1 1 25 ALA O O 11.989 6.784 9.997 1.00 . A A . 25 ALA O 1 1 5 2409 1 1 26 PHE C C 11.970 6.143 5.779 1.00 . A A . 26 PHE C 1 1 5 2410 1 1 26 PHE CA C 12.260 6.298 7.274 1.00 . A A . 26 PHE CA 1 1 5 2411 1 1 26 PHE CB C 13.286 5.243 7.694 1.00 . A A . 26 PHE CB 1 1 5 2412 1 1 26 PHE CD1 C 11.764 3.566 6.626 1.00 . A A . 26 PHE CD1 1 1 5 2413 1 1 26 PHE CD2 C 13.904 2.849 7.298 1.00 . A A . 26 PHE CD2 1 1 5 2414 1 1 26 PHE CE1 C 11.473 2.258 6.155 1.00 . A A . 26 PHE CE1 1 1 5 2415 1 1 26 PHE CE2 C 13.614 1.541 6.827 1.00 . A A . 26 PHE CE2 1 1 5 2416 1 1 26 PHE CG C 12.973 3.834 7.187 1.00 . A A . 26 PHE CG 1 1 5 2417 1 1 26 PHE CZ C 12.405 1.274 6.266 1.00 . A A . 26 PHE CZ 1 1 5 2418 1 1 26 PHE H H 10.285 5.697 7.554 1.00 . A A . 26 PHE H 1 1 5 2419 1 1 26 PHE HA H 12.586 7.318 7.474 1.00 . A A . 26 PHE HA 1 1 5 2420 1 1 26 PHE HB2 H 14.268 5.541 7.328 1.00 . A A . 26 PHE HB2 1 1 5 2421 1 1 26 PHE HB3 H 13.344 5.222 8.782 1.00 . A A . 26 PHE HB3 1 1 5 2422 1 1 26 PHE HD1 H 11.017 4.356 6.537 1.00 . A A . 26 PHE HD1 1 1 5 2423 1 1 26 PHE HD2 H 14.873 3.064 7.748 1.00 . A A . 26 PHE HD2 1 1 5 2424 1 1 26 PHE HE1 H 10.504 2.044 5.705 1.00 . A A . 26 PHE HE1 1 1 5 2425 1 1 26 PHE HE2 H 14.360 0.752 6.916 1.00 . A A . 26 PHE HE2 1 1 5 2426 1 1 26 PHE HZ H 12.182 0.270 5.904 1.00 . A A . 26 PHE HZ 1 1 5 2427 1 1 26 PHE N N 11.063 6.065 8.063 1.00 . A A . 26 PHE N 1 1 5 2428 1 1 26 PHE O O 10.812 6.144 5.365 1.00 . A A . 26 PHE O 1 1 5 2429 1 1 27 ILE C C 13.709 4.627 3.126 1.00 . A A . 27 ILE C 1 1 5 2430 1 1 27 ILE CA C 12.917 5.858 3.572 1.00 . A A . 27 ILE CA 1 1 5 2431 1 1 27 ILE CB C 13.327 7.146 2.856 1.00 . A A . 27 ILE CB 1 1 5 2432 1 1 27 ILE CD1 C 15.472 6.914 1.550 1.00 . A A . 27 ILE CD1 1 1 5 2433 1 1 27 ILE CG1 C 14.846 7.328 2.883 1.00 . A A . 27 ILE CG1 1 1 5 2434 1 1 27 ILE CG2 C 12.594 8.355 3.441 1.00 . A A . 27 ILE CG2 1 1 5 2435 1 1 27 ILE H H 13.980 6.014 5.357 1.00 . A A . 27 ILE H 1 1 5 2436 1 1 27 ILE HA H 11.863 5.688 3.352 1.00 . A A . 27 ILE HA 1 1 5 2437 1 1 27 ILE HB H 13.031 7.065 1.810 1.00 . A A . 27 ILE HB 1 1 5 2438 1 1 27 ILE HD11 H 15.454 7.759 0.861 1.00 . A A . 27 ILE HD11 1 1 5 2439 1 1 27 ILE HD12 H 16.503 6.600 1.714 1.00 . A A . 27 ILE HD12 1 1 5 2440 1 1 27 ILE HD13 H 14.904 6.086 1.124 1.00 . A A . 27 ILE HD13 1 1 5 2441 1 1 27 ILE HG12 H 15.087 8.370 3.093 1.00 . A A . 27 ILE HG12 1 1 5 2442 1 1 27 ILE HG13 H 15.273 6.733 3.690 1.00 . A A . 27 ILE HG13 1 1 5 2443 1 1 27 ILE HG21 H 11.544 8.105 3.592 1.00 . A A . 27 ILE HG21 1 1 5 2444 1 1 27 ILE HG22 H 13.044 8.626 4.396 1.00 . A A . 27 ILE HG22 1 1 5 2445 1 1 27 ILE HG23 H 12.672 9.196 2.751 1.00 . A A . 27 ILE HG23 1 1 5 2446 1 1 27 ILE N N 13.042 6.013 5.011 1.00 . A A . 27 ILE N 1 1 5 2447 1 1 27 ILE O O 14.921 4.702 2.931 1.00 . A A . 27 ILE O 1 1 5 2448 1 1 28 VAL C C 12.524 1.272 2.180 1.00 . A A . 28 VAL C 1 1 5 2449 1 1 28 VAL CA C 13.613 2.278 2.559 1.00 . A A . 28 VAL CA 1 1 5 2450 1 1 28 VAL CB C 14.547 1.763 3.656 1.00 . A A . 28 VAL CB 1 1 5 2451 1 1 28 VAL CG1 C 14.660 0.238 3.608 1.00 . A A . 28 VAL CG1 1 1 5 2452 1 1 28 VAL CG2 C 15.925 2.419 3.555 1.00 . A A . 28 VAL CG2 1 1 5 2453 1 1 28 VAL H H 12.007 3.470 3.139 1.00 . A A . 28 VAL H 1 1 5 2454 1 1 28 VAL HA H 14.216 2.492 1.676 1.00 . A A . 28 VAL HA 1 1 5 2455 1 1 28 VAL HB H 14.116 2.037 4.619 1.00 . A A . 28 VAL HB 1 1 5 2456 1 1 28 VAL HG11 H 15.611 -0.069 4.043 1.00 . A A . 28 VAL HG11 1 1 5 2457 1 1 28 VAL HG12 H 13.842 -0.205 4.175 1.00 . A A . 28 VAL HG12 1 1 5 2458 1 1 28 VAL HG13 H 14.609 -0.098 2.573 1.00 . A A . 28 VAL HG13 1 1 5 2459 1 1 28 VAL HG21 H 16.698 1.671 3.732 1.00 . A A . 28 VAL HG21 1 1 5 2460 1 1 28 VAL HG22 H 16.053 2.845 2.560 1.00 . A A . 28 VAL HG22 1 1 5 2461 1 1 28 VAL HG23 H 16.008 3.209 4.302 1.00 . A A . 28 VAL HG23 1 1 5 2462 1 1 28 VAL N N 12.992 3.523 2.978 1.00 . A A . 28 VAL N 1 1 5 2463 1 1 28 VAL O O 12.474 0.805 1.043 1.00 . A A . 28 VAL O 1 1 5 2464 1 1 29 VAL C C 9.257 0.733 3.169 1.00 . A A . 29 VAL C 1 1 5 2465 1 1 29 VAL CA C 10.595 0.026 2.937 1.00 . A A . 29 VAL CA 1 1 5 2466 1 1 29 VAL CB C 10.783 -1.204 3.827 1.00 . A A . 29 VAL CB 1 1 5 2467 1 1 29 VAL CG1 C 9.910 -1.112 5.081 1.00 . A A . 29 VAL CG1 1 1 5 2468 1 1 29 VAL CG2 C 10.497 -2.491 3.052 1.00 . A A . 29 VAL CG2 1 1 5 2469 1 1 29 VAL H H 11.727 1.353 4.076 1.00 . A A . 29 VAL H 1 1 5 2470 1 1 29 VAL HA H 10.644 -0.299 1.898 1.00 . A A . 29 VAL HA 1 1 5 2471 1 1 29 VAL HB H 11.825 -1.230 4.146 1.00 . A A . 29 VAL HB 1 1 5 2472 1 1 29 VAL HG11 H 8.859 -1.116 4.792 1.00 . A A . 29 VAL HG11 1 1 5 2473 1 1 29 VAL HG12 H 10.113 -1.966 5.727 1.00 . A A . 29 VAL HG12 1 1 5 2474 1 1 29 VAL HG13 H 10.137 -0.189 5.615 1.00 . A A . 29 VAL HG13 1 1 5 2475 1 1 29 VAL HG21 H 10.042 -3.223 3.719 1.00 . A A . 29 VAL HG21 1 1 5 2476 1 1 29 VAL HG22 H 9.814 -2.276 2.230 1.00 . A A . 29 VAL HG22 1 1 5 2477 1 1 29 VAL HG23 H 11.430 -2.891 2.655 1.00 . A A . 29 VAL HG23 1 1 5 2478 1 1 29 VAL N N 11.679 0.968 3.154 1.00 . A A . 29 VAL N 1 1 5 2479 1 1 29 VAL O O 8.197 0.157 2.930 1.00 . A A . 29 VAL O 1 1 5 2480 1 1 30 ALA C C 7.526 3.182 2.572 1.00 . A A . 30 ALA C 1 1 5 2481 1 1 30 ALA CA C 8.162 2.762 3.899 1.00 . A A . 30 ALA CA 1 1 5 2482 1 1 30 ALA CB C 8.532 3.961 4.774 1.00 . A A . 30 ALA CB 1 1 5 2483 1 1 30 ALA H H 10.217 2.432 3.823 1.00 . A A . 30 ALA H 1 1 5 2484 1 1 30 ALA HA H 7.460 2.132 4.446 1.00 . A A . 30 ALA HA 1 1 5 2485 1 1 30 ALA HB1 H 8.268 4.884 4.257 1.00 . A A . 30 ALA HB1 1 1 5 2486 1 1 30 ALA HB2 H 7.989 3.905 5.717 1.00 . A A . 30 ALA HB2 1 1 5 2487 1 1 30 ALA HB3 H 9.604 3.950 4.971 1.00 . A A . 30 ALA HB3 1 1 5 2488 1 1 30 ALA N N 9.351 1.971 3.632 1.00 . A A . 30 ALA N 1 1 5 2489 1 1 30 ALA O O 6.587 2.543 2.100 1.00 . A A . 30 ALA O 1 1 5 2490 1 1 31 LEU C C 7.480 3.625 -0.269 1.00 . A A . 31 LEU C 1 1 5 2491 1 1 31 LEU CA C 7.559 4.767 0.746 1.00 . A A . 31 LEU CA 1 1 5 2492 1 1 31 LEU CB C 8.405 5.951 0.273 1.00 . A A . 31 LEU CB 1 1 5 2493 1 1 31 LEU CD1 C 6.313 7.305 -0.118 1.00 . A A . 31 LEU CD1 1 1 5 2494 1 1 31 LEU CD2 C 7.843 7.854 1.830 1.00 . A A . 31 LEU CD2 1 1 5 2495 1 1 31 LEU CG C 7.754 7.331 0.395 1.00 . A A . 31 LEU CG 1 1 5 2496 1 1 31 LEU H H 8.827 4.768 2.399 1.00 . A A . 31 LEU H 1 1 5 2497 1 1 31 LEU HA H 6.551 5.142 0.924 1.00 . A A . 31 LEU HA 1 1 5 2498 1 1 31 LEU HB2 H 9.335 5.959 0.842 1.00 . A A . 31 LEU HB2 1 1 5 2499 1 1 31 LEU HB3 H 8.671 5.788 -0.771 1.00 . A A . 31 LEU HB3 1 1 5 2500 1 1 31 LEU HD11 H 5.646 7.002 0.689 1.00 . A A . 31 LEU HD11 1 1 5 2501 1 1 31 LEU HD12 H 6.034 8.299 -0.467 1.00 . A A . 31 LEU HD12 1 1 5 2502 1 1 31 LEU HD13 H 6.233 6.595 -0.941 1.00 . A A . 31 LEU HD13 1 1 5 2503 1 1 31 LEU HD21 H 8.789 8.376 1.969 1.00 . A A . 31 LEU HD21 1 1 5 2504 1 1 31 LEU HD22 H 7.018 8.541 2.018 1.00 . A A . 31 LEU HD22 1 1 5 2505 1 1 31 LEU HD23 H 7.784 7.017 2.526 1.00 . A A . 31 LEU HD23 1 1 5 2506 1 1 31 LEU HG H 8.308 8.027 -0.236 1.00 . A A . 31 LEU HG 1 1 5 2507 1 1 31 LEU N N 8.063 4.254 2.009 1.00 . A A . 31 LEU N 1 1 5 2508 1 1 31 LEU O O 6.415 3.353 -0.821 1.00 . A A . 31 LEU O 1 1 5 2509 1 1 32 GLY C C 8.317 0.560 -0.743 1.00 . A A . 32 GLY C 1 1 5 2510 1 1 32 GLY CA C 8.694 1.879 -1.421 1.00 . A A . 32 GLY CA 1 1 5 2511 1 1 32 GLY H H 9.483 3.213 -0.029 1.00 . A A . 32 GLY H 1 1 5 2512 1 1 32 GLY HA2 H 8.025 2.065 -2.261 1.00 . A A . 32 GLY HA2 1 1 5 2513 1 1 32 GLY HA3 H 9.703 1.808 -1.827 1.00 . A A . 32 GLY HA3 1 1 5 2514 1 1 32 GLY N N 8.621 2.986 -0.483 1.00 . A A . 32 GLY N 1 1 5 2515 1 1 32 GLY O O 9.183 -0.152 -0.238 1.00 . A A . 32 GLY O 1 1 6 2516 1 1 1 TYR C C -3.777 -8.733 -15.589 1.00 . A A . 1 TYR C 1 1 6 2517 1 1 1 TYR CA C -4.769 -7.640 -15.188 1.00 . A A . 1 TYR CA 1 1 6 2518 1 1 1 TYR CB C -6.004 -8.293 -14.564 1.00 . A A . 1 TYR CB 1 1 6 2519 1 1 1 TYR CD1 C -5.951 -8.079 -12.052 1.00 . A A . 1 TYR CD1 1 1 6 2520 1 1 1 TYR CD2 C -5.360 -10.182 -13.023 1.00 . A A . 1 TYR CD2 1 1 6 2521 1 1 1 TYR CE1 C -5.725 -8.622 -10.738 1.00 . A A . 1 TYR CE1 1 1 6 2522 1 1 1 TYR CE2 C -5.134 -10.725 -11.709 1.00 . A A . 1 TYR CE2 1 1 6 2523 1 1 1 TYR CG C -5.764 -8.870 -13.167 1.00 . A A . 1 TYR CG 1 1 6 2524 1 1 1 TYR CZ C -5.327 -9.918 -10.631 1.00 . A A . 1 TYR CZ 1 1 6 2525 1 1 1 TYR H1 H -5.481 -7.488 -17.140 1.00 . A A . 1 TYR H1 1 1 6 2526 1 1 1 TYR HA H -4.269 -6.928 -14.532 1.00 . A A . 1 TYR HA 1 1 6 2527 1 1 1 TYR HB2 H -6.804 -7.554 -14.508 1.00 . A A . 1 TYR HB2 1 1 6 2528 1 1 1 TYR HB3 H -6.352 -9.090 -15.220 1.00 . A A . 1 TYR HB3 1 1 6 2529 1 1 1 TYR HD1 H -6.270 -7.042 -12.167 1.00 . A A . 1 TYR HD1 1 1 6 2530 1 1 1 TYR HD2 H -5.212 -10.806 -13.904 1.00 . A A . 1 TYR HD2 1 1 6 2531 1 1 1 TYR HE1 H -5.869 -8.008 -9.849 1.00 . A A . 1 TYR HE1 1 1 6 2532 1 1 1 TYR HE2 H -4.814 -11.759 -11.580 1.00 . A A . 1 TYR HE2 1 1 6 2533 1 1 1 TYR HH H -5.662 -9.935 -8.716 1.00 . A A . 1 TYR HH 1 1 6 2534 1 1 1 TYR N N -5.246 -6.916 -16.355 1.00 . A A . 1 TYR N 1 1 6 2535 1 1 1 TYR O O -4.151 -9.708 -16.239 1.00 . A A . 1 TYR O 1 1 6 2536 1 1 1 TYR OH O -5.114 -10.431 -9.390 1.00 . A A . 1 TYR OH 1 1 6 2537 1 1 2 ALA C C -1.037 -10.187 -14.207 1.00 . A A . 2 ALA C 1 1 6 2538 1 1 2 ALA CA C -1.482 -9.490 -15.494 1.00 . A A . 2 ALA CA 1 1 6 2539 1 1 2 ALA CB C -0.328 -8.773 -16.198 1.00 . A A . 2 ALA CB 1 1 6 2540 1 1 2 ALA H H -2.235 -7.738 -14.657 1.00 . A A . 2 ALA H 1 1 6 2541 1 1 2 ALA HA H -1.900 -10.233 -16.174 1.00 . A A . 2 ALA HA 1 1 6 2542 1 1 2 ALA HB1 H -0.670 -8.391 -17.160 1.00 . A A . 2 ALA HB1 1 1 6 2543 1 1 2 ALA HB2 H 0.016 -7.945 -15.579 1.00 . A A . 2 ALA HB2 1 1 6 2544 1 1 2 ALA HB3 H 0.492 -9.474 -16.357 1.00 . A A . 2 ALA HB3 1 1 6 2545 1 1 2 ALA N N -2.531 -8.534 -15.185 1.00 . A A . 2 ALA N 1 1 6 2546 1 1 2 ALA O O -1.039 -11.414 -14.128 1.00 . A A . 2 ALA O 1 1 6 2547 1 1 3 PHE C C -0.795 -9.075 -10.792 1.00 . A A . 3 PHE C 1 1 6 2548 1 1 3 PHE CA C -0.220 -9.895 -11.949 1.00 . A A . 3 PHE CA 1 1 6 2549 1 1 3 PHE CB C 1.306 -9.785 -11.928 1.00 . A A . 3 PHE CB 1 1 6 2550 1 1 3 PHE CD1 C 1.828 -7.981 -13.585 1.00 . A A . 3 PHE CD1 1 1 6 2551 1 1 3 PHE CD2 C 2.309 -7.574 -11.315 1.00 . A A . 3 PHE CD2 1 1 6 2552 1 1 3 PHE CE1 C 2.319 -6.691 -13.920 1.00 . A A . 3 PHE CE1 1 1 6 2553 1 1 3 PHE CE2 C 2.799 -6.284 -11.650 1.00 . A A . 3 PHE CE2 1 1 6 2554 1 1 3 PHE CG C 1.834 -8.395 -12.290 1.00 . A A . 3 PHE CG 1 1 6 2555 1 1 3 PHE CZ C 2.794 -5.870 -12.946 1.00 . A A . 3 PHE CZ 1 1 6 2556 1 1 3 PHE H H -0.668 -8.375 -13.301 1.00 . A A . 3 PHE H 1 1 6 2557 1 1 3 PHE HA H -0.577 -10.922 -11.877 1.00 . A A . 3 PHE HA 1 1 6 2558 1 1 3 PHE HB2 H 1.666 -10.052 -10.935 1.00 . A A . 3 PHE HB2 1 1 6 2559 1 1 3 PHE HB3 H 1.722 -10.513 -12.625 1.00 . A A . 3 PHE HB3 1 1 6 2560 1 1 3 PHE HD1 H 1.448 -8.639 -14.366 1.00 . A A . 3 PHE HD1 1 1 6 2561 1 1 3 PHE HD2 H 2.314 -7.906 -10.277 1.00 . A A . 3 PHE HD2 1 1 6 2562 1 1 3 PHE HE1 H 2.314 -6.359 -14.958 1.00 . A A . 3 PHE HE1 1 1 6 2563 1 1 3 PHE HE2 H 3.180 -5.626 -10.870 1.00 . A A . 3 PHE HE2 1 1 6 2564 1 1 3 PHE HZ H 3.170 -4.880 -13.203 1.00 . A A . 3 PHE HZ 1 1 6 2565 1 1 3 PHE N N -0.667 -9.373 -13.229 1.00 . A A . 3 PHE N 1 1 6 2566 1 1 3 PHE O O -1.364 -9.632 -9.855 1.00 . A A . 3 PHE O 1 1 6 2567 1 1 4 ALA C C -0.815 -5.420 -10.275 1.00 . A A . 4 ALA C 1 1 6 2568 1 1 4 ALA CA C -1.120 -6.863 -9.869 1.00 . A A . 4 ALA CA 1 1 6 2569 1 1 4 ALA CB C -0.499 -7.234 -8.521 1.00 . A A . 4 ALA CB 1 1 6 2570 1 1 4 ALA H H -0.161 -7.320 -11.661 1.00 . A A . 4 ALA H 1 1 6 2571 1 1 4 ALA HA H -2.200 -6.994 -9.806 1.00 . A A . 4 ALA HA 1 1 6 2572 1 1 4 ALA HB1 H -1.225 -7.062 -7.727 1.00 . A A . 4 ALA HB1 1 1 6 2573 1 1 4 ALA HB2 H -0.212 -8.286 -8.530 1.00 . A A . 4 ALA HB2 1 1 6 2574 1 1 4 ALA HB3 H 0.384 -6.618 -8.346 1.00 . A A . 4 ALA HB3 1 1 6 2575 1 1 4 ALA N N -0.625 -7.765 -10.895 1.00 . A A . 4 ALA N 1 1 6 2576 1 1 4 ALA O O -0.305 -4.640 -9.471 1.00 . A A . 4 ALA O 1 1 6 2577 1 1 5 CYS C C -1.944 -2.829 -11.431 1.00 . A A . 5 CYS C 1 1 6 2578 1 1 5 CYS CA C -0.906 -3.772 -12.043 1.00 . A A . 5 CYS CA 1 1 6 2579 1 1 5 CYS CB C -0.944 -3.748 -13.572 1.00 . A A . 5 CYS CB 1 1 6 2580 1 1 5 CYS H H -1.553 -5.748 -12.168 1.00 . A A . 5 CYS H 1 1 6 2581 1 1 5 CYS HA H 0.101 -3.488 -11.738 1.00 . A A . 5 CYS HA 1 1 6 2582 1 1 5 CYS HB2 H -1.409 -4.659 -13.947 1.00 . A A . 5 CYS HB2 1 1 6 2583 1 1 5 CYS HB3 H -1.556 -2.914 -13.915 1.00 . A A . 5 CYS HB3 1 1 6 2584 1 1 5 CYS HG H 0.899 -2.303 -13.948 1.00 . A A . 5 CYS HG 1 1 6 2585 1 1 5 CYS N N -1.139 -5.108 -11.521 1.00 . A A . 5 CYS N 1 1 6 2586 1 1 5 CYS O O -1.592 -1.799 -10.859 1.00 . A A . 5 CYS O 1 1 6 2587 1 1 5 CYS SG S 0.753 -3.592 -14.238 1.00 . A A . 5 CYS SG 1 1 6 2588 1 1 6 PRO C C -4.419 -2.568 -9.522 1.00 . A A . 6 PRO C 1 1 6 2589 1 1 6 PRO CA C -4.329 -2.429 -11.043 1.00 . A A . 6 PRO CA 1 1 6 2590 1 1 6 PRO CB C -5.570 -2.933 -11.761 1.00 . A A . 6 PRO CB 1 1 6 2591 1 1 6 PRO CD C -3.692 -4.441 -12.246 1.00 . A A . 6 PRO CD 1 1 6 2592 1 1 6 PRO CG C -5.203 -4.298 -12.320 1.00 . A A . 6 PRO CG 1 1 6 2593 1 1 6 PRO HA H -4.167 -1.458 -11.220 1.00 . A A . 6 PRO HA 1 1 6 2594 1 1 6 PRO HB2 H -6.415 -3.005 -11.076 1.00 . A A . 6 PRO HB2 1 1 6 2595 1 1 6 PRO HB3 H -5.864 -2.250 -12.559 1.00 . A A . 6 PRO HB3 1 1 6 2596 1 1 6 PRO HD2 H -3.405 -5.332 -11.688 1.00 . A A . 6 PRO HD2 1 1 6 2597 1 1 6 PRO HD3 H -3.254 -4.532 -13.240 1.00 . A A . 6 PRO HD3 1 1 6 2598 1 1 6 PRO HG2 H -5.690 -5.088 -11.748 1.00 . A A . 6 PRO HG2 1 1 6 2599 1 1 6 PRO HG3 H -5.546 -4.393 -13.350 1.00 . A A . 6 PRO HG3 1 1 6 2600 1 1 6 PRO N N -3.237 -3.227 -11.575 1.00 . A A . 6 PRO N 1 1 6 2601 1 1 6 PRO O O -3.787 -1.812 -8.787 1.00 . A A . 6 PRO O 1 1 6 2602 1 1 7 ALA C C -5.534 -2.454 -6.943 1.00 . A A . 7 ALA C 1 1 6 2603 1 1 7 ALA CA C -5.393 -3.789 -7.676 1.00 . A A . 7 ALA CA 1 1 6 2604 1 1 7 ALA CB C -4.223 -4.622 -7.149 1.00 . A A . 7 ALA CB 1 1 6 2605 1 1 7 ALA H H -5.722 -4.152 -9.700 1.00 . A A . 7 ALA H 1 1 6 2606 1 1 7 ALA HA H -6.313 -4.361 -7.554 1.00 . A A . 7 ALA HA 1 1 6 2607 1 1 7 ALA HB1 H -3.321 -4.010 -7.129 1.00 . A A . 7 ALA HB1 1 1 6 2608 1 1 7 ALA HB2 H -4.449 -4.970 -6.141 1.00 . A A . 7 ALA HB2 1 1 6 2609 1 1 7 ALA HB3 H -4.065 -5.481 -7.802 1.00 . A A . 7 ALA HB3 1 1 6 2610 1 1 7 ALA N N -5.211 -3.541 -9.095 1.00 . A A . 7 ALA N 1 1 6 2611 1 1 7 ALA O O -5.845 -1.434 -7.557 1.00 . A A . 7 ALA O 1 1 6 2612 1 1 8 CYS C C -6.823 -0.766 -4.925 1.00 . A A . 8 CYS C 1 1 6 2613 1 1 8 CYS CA C -5.397 -1.309 -4.816 1.00 . A A . 8 CYS CA 1 1 6 2614 1 1 8 CYS CB C -4.355 -0.262 -5.214 1.00 . A A . 8 CYS CB 1 1 6 2615 1 1 8 CYS H H -5.048 -3.336 -5.147 1.00 . A A . 8 CYS H 1 1 6 2616 1 1 8 CYS HA H -5.177 -1.615 -3.794 1.00 . A A . 8 CYS HA 1 1 6 2617 1 1 8 CYS HB2 H -4.467 -0.007 -6.267 1.00 . A A . 8 CYS HB2 1 1 6 2618 1 1 8 CYS HB3 H -4.514 0.655 -4.645 1.00 . A A . 8 CYS HB3 1 1 6 2619 1 1 8 CYS HG H -2.836 -2.050 -5.559 1.00 . A A . 8 CYS HG 1 1 6 2620 1 1 8 CYS N N -5.300 -2.503 -5.639 1.00 . A A . 8 CYS N 1 1 6 2621 1 1 8 CYS O O -7.114 0.057 -5.792 1.00 . A A . 8 CYS O 1 1 6 2622 1 1 8 CYS SG S -2.671 -0.905 -4.902 1.00 . A A . 8 CYS SG 1 1 6 2623 1 1 9 PRO C C -9.221 0.575 -3.412 1.00 . A A . 9 PRO C 1 1 6 2624 1 1 9 PRO CA C -9.087 -0.833 -3.994 1.00 . A A . 9 PRO CA 1 1 6 2625 1 1 9 PRO CB C -9.814 -1.886 -3.173 1.00 . A A . 9 PRO CB 1 1 6 2626 1 1 9 PRO CD C -7.390 -2.236 -2.968 1.00 . A A . 9 PRO CD 1 1 6 2627 1 1 9 PRO CG C -8.740 -2.606 -2.374 1.00 . A A . 9 PRO CG 1 1 6 2628 1 1 9 PRO HA H -9.444 -0.779 -4.926 1.00 . A A . 9 PRO HA 1 1 6 2629 1 1 9 PRO HB2 H -10.550 -1.428 -2.513 1.00 . A A . 9 PRO HB2 1 1 6 2630 1 1 9 PRO HB3 H -10.352 -2.581 -3.818 1.00 . A A . 9 PRO HB3 1 1 6 2631 1 1 9 PRO HD2 H -6.728 -1.813 -2.212 1.00 . A A . 9 PRO HD2 1 1 6 2632 1 1 9 PRO HD3 H -6.886 -3.110 -3.380 1.00 . A A . 9 PRO HD3 1 1 6 2633 1 1 9 PRO HG2 H -8.787 -2.318 -1.324 1.00 . A A . 9 PRO HG2 1 1 6 2634 1 1 9 PRO HG3 H -8.892 -3.685 -2.415 1.00 . A A . 9 PRO HG3 1 1 6 2635 1 1 9 PRO N N -7.698 -1.260 -4.009 1.00 . A A . 9 PRO N 1 1 6 2636 1 1 9 PRO O O -8.240 1.313 -3.329 1.00 . A A . 9 PRO O 1 1 6 2637 1 1 10 LYS C C -10.834 2.087 -0.932 1.00 . A A . 10 LYS C 1 1 6 2638 1 1 10 LYS CA C -10.719 2.214 -2.452 1.00 . A A . 10 LYS CA 1 1 6 2639 1 1 10 LYS CB C -11.949 2.840 -3.112 1.00 . A A . 10 LYS CB 1 1 6 2640 1 1 10 LYS CD C -12.507 5.004 -4.281 1.00 . A A . 10 LYS CD 1 1 6 2641 1 1 10 LYS CE C -11.441 5.740 -5.094 1.00 . A A . 10 LYS CE 1 1 6 2642 1 1 10 LYS CG C -11.899 4.367 -3.030 1.00 . A A . 10 LYS CG 1 1 6 2643 1 1 10 LYS H H -11.236 0.301 -3.095 1.00 . A A . 10 LYS H 1 1 6 2644 1 1 10 LYS HA H -9.869 2.856 -2.681 1.00 . A A . 10 LYS HA 1 1 6 2645 1 1 10 LYS HB2 H -12.004 2.530 -4.156 1.00 . A A . 10 LYS HB2 1 1 6 2646 1 1 10 LYS HB3 H -12.853 2.475 -2.624 1.00 . A A . 10 LYS HB3 1 1 6 2647 1 1 10 LYS HD2 H -12.972 4.233 -4.896 1.00 . A A . 10 LYS HD2 1 1 6 2648 1 1 10 LYS HD3 H -13.295 5.700 -3.993 1.00 . A A . 10 LYS HD3 1 1 6 2649 1 1 10 LYS HE2 H -11.562 6.817 -4.973 1.00 . A A . 10 LYS HE2 1 1 6 2650 1 1 10 LYS HE3 H -10.450 5.487 -4.719 1.00 . A A . 10 LYS HE3 1 1 6 2651 1 1 10 LYS HG2 H -12.440 4.704 -2.146 1.00 . A A . 10 LYS HG2 1 1 6 2652 1 1 10 LYS HG3 H -10.866 4.694 -2.916 1.00 . A A . 10 LYS HG3 1 1 6 2653 1 1 10 LYS HZ1 H -10.993 4.565 -6.705 1.00 . A A . 10 LYS HZ1 1 1 6 2654 1 1 10 LYS HZ2 H -12.498 5.197 -6.757 1.00 . A A . 10 LYS HZ2 1 1 6 2655 1 1 10 LYS HZ3 H -11.205 6.139 -7.085 1.00 . A A . 10 LYS HZ3 1 1 6 2656 1 1 10 LYS N N -10.444 0.907 -3.024 1.00 . A A . 10 LYS N 1 1 6 2657 1 1 10 LYS NZ N -11.543 5.381 -6.527 1.00 . A A . 10 LYS NZ 1 1 6 2658 1 1 10 LYS O O -11.133 3.063 -0.245 1.00 . A A . 10 LYS O 1 1 6 2659 1 1 11 ARG C C -9.260 0.445 1.557 1.00 . A A . 11 ARG C 1 1 6 2660 1 1 11 ARG CA C -10.666 0.609 0.975 1.00 . A A . 11 ARG CA 1 1 6 2661 1 1 11 ARG CB C -11.478 -0.656 1.257 1.00 . A A . 11 ARG CB 1 1 6 2662 1 1 11 ARG CD C -12.747 -1.190 -0.856 1.00 . A A . 11 ARG CD 1 1 6 2663 1 1 11 ARG CG C -12.836 -0.604 0.555 1.00 . A A . 11 ARG CG 1 1 6 2664 1 1 11 ARG CZ C -12.700 -3.661 -0.536 1.00 . A A . 11 ARG CZ 1 1 6 2665 1 1 11 ARG H H -10.351 0.088 -1.017 1.00 . A A . 11 ARG H 1 1 6 2666 1 1 11 ARG HA H -11.166 1.481 1.397 1.00 . A A . 11 ARG HA 1 1 6 2667 1 1 11 ARG HB2 H -10.924 -1.532 0.920 1.00 . A A . 11 ARG HB2 1 1 6 2668 1 1 11 ARG HB3 H -11.625 -0.767 2.332 1.00 . A A . 11 ARG HB3 1 1 6 2669 1 1 11 ARG HD2 H -13.746 -1.294 -1.279 1.00 . A A . 11 ARG HD2 1 1 6 2670 1 1 11 ARG HD3 H -12.195 -0.511 -1.506 1.00 . A A . 11 ARG HD3 1 1 6 2671 1 1 11 ARG HE H -11.095 -2.541 -1.007 1.00 . A A . 11 ARG HE 1 1 6 2672 1 1 11 ARG HG2 H -13.573 -1.158 1.137 1.00 . A A . 11 ARG HG2 1 1 6 2673 1 1 11 ARG HG3 H -13.183 0.428 0.502 1.00 . A A . 11 ARG HG3 1 1 6 2674 1 1 11 ARG HH11 H -14.528 -2.807 -0.283 1.00 . A A . 11 ARG HH11 1 1 6 2675 1 1 11 ARG HH12 H -14.479 -4.525 -0.064 1.00 . A A . 11 ARG HH12 1 1 6 2676 1 1 11 ARG HH21 H -11.030 -4.807 -0.718 1.00 . A A . 11 ARG HH21 1 1 6 2677 1 1 11 ARG HH22 H -12.476 -5.670 -0.313 1.00 . A A . 11 ARG HH22 1 1 6 2678 1 1 11 ARG N N -10.592 0.876 -0.451 1.00 . A A . 11 ARG N 1 1 6 2679 1 1 11 ARG NE N -12.076 -2.508 -0.815 1.00 . A A . 11 ARG NE 1 1 6 2680 1 1 11 ARG NH1 N -14.014 -3.664 -0.272 1.00 . A A . 11 ARG NH1 1 1 6 2681 1 1 11 ARG NH2 N -12.010 -4.809 -0.521 1.00 . A A . 11 ARG NH2 1 1 6 2682 1 1 11 ARG O O -9.007 0.834 2.696 1.00 . A A . 11 ARG O 1 1 6 2683 1 1 12 PHE C C -6.252 0.971 1.281 1.00 . A A . 12 PHE C 1 1 6 2684 1 1 12 PHE CA C -7.010 -0.353 1.170 1.00 . A A . 12 PHE CA 1 1 6 2685 1 1 12 PHE CB C -6.347 -1.218 0.097 1.00 . A A . 12 PHE CB 1 1 6 2686 1 1 12 PHE CD1 C -5.042 -2.514 1.796 1.00 . A A . 12 PHE CD1 1 1 6 2687 1 1 12 PHE CD2 C -3.985 -1.979 -0.240 1.00 . A A . 12 PHE CD2 1 1 6 2688 1 1 12 PHE CE1 C -3.863 -3.175 2.233 1.00 . A A . 12 PHE CE1 1 1 6 2689 1 1 12 PHE CE2 C -2.807 -2.640 0.197 1.00 . A A . 12 PHE CE2 1 1 6 2690 1 1 12 PHE CG C -5.078 -1.930 0.568 1.00 . A A . 12 PHE CG 1 1 6 2691 1 1 12 PHE CZ C -2.771 -3.224 1.425 1.00 . A A . 12 PHE CZ 1 1 6 2692 1 1 12 PHE H H -8.598 -0.446 -0.176 1.00 . A A . 12 PHE H 1 1 6 2693 1 1 12 PHE HA H -7.045 -0.833 2.148 1.00 . A A . 12 PHE HA 1 1 6 2694 1 1 12 PHE HB2 H -7.063 -1.964 -0.248 1.00 . A A . 12 PHE HB2 1 1 6 2695 1 1 12 PHE HB3 H -6.103 -0.592 -0.761 1.00 . A A . 12 PHE HB3 1 1 6 2696 1 1 12 PHE HD1 H -5.917 -2.475 2.444 1.00 . A A . 12 PHE HD1 1 1 6 2697 1 1 12 PHE HD2 H -4.014 -1.511 -1.224 1.00 . A A . 12 PHE HD2 1 1 6 2698 1 1 12 PHE HE1 H -3.835 -3.644 3.217 1.00 . A A . 12 PHE HE1 1 1 6 2699 1 1 12 PHE HE2 H -1.931 -2.679 -0.451 1.00 . A A . 12 PHE HE2 1 1 6 2700 1 1 12 PHE HZ H -1.866 -3.731 1.761 1.00 . A A . 12 PHE HZ 1 1 6 2701 1 1 12 PHE N N -8.383 -0.132 0.749 1.00 . A A . 12 PHE N 1 1 6 2702 1 1 12 PHE O O -5.490 1.177 2.225 1.00 . A A . 12 PHE O 1 1 6 2703 1 1 13 MET C C -5.942 3.826 1.640 1.00 . A A . 13 MET C 1 1 6 2704 1 1 13 MET CA C -5.835 3.133 0.280 1.00 . A A . 13 MET CA 1 1 6 2705 1 1 13 MET CB C -6.483 4.011 -0.792 1.00 . A A . 13 MET CB 1 1 6 2706 1 1 13 MET CE C -8.774 6.148 0.196 1.00 . A A . 13 MET CE 1 1 6 2707 1 1 13 MET CG C -7.990 3.755 -0.873 1.00 . A A . 13 MET CG 1 1 6 2708 1 1 13 MET H H -7.108 1.660 -0.460 1.00 . A A . 13 MET H 1 1 6 2709 1 1 13 MET HA H -4.789 2.932 0.049 1.00 . A A . 13 MET HA 1 1 6 2710 1 1 13 MET HB2 H -6.300 5.061 -0.567 1.00 . A A . 13 MET HB2 1 1 6 2711 1 1 13 MET HB3 H -6.024 3.807 -1.760 1.00 . A A . 13 MET HB3 1 1 6 2712 1 1 13 MET HE1 H -9.589 5.819 0.841 1.00 . A A . 13 MET HE1 1 1 6 2713 1 1 13 MET HE2 H -7.820 5.955 0.688 1.00 . A A . 13 MET HE2 1 1 6 2714 1 1 13 MET HE3 H -8.872 7.215 0.000 1.00 . A A . 13 MET HE3 1 1 6 2715 1 1 13 MET HG2 H -8.195 2.966 -1.596 1.00 . A A . 13 MET HG2 1 1 6 2716 1 1 13 MET HG3 H -8.360 3.408 0.092 1.00 . A A . 13 MET HG3 1 1 6 2717 1 1 13 MET N N -6.486 1.835 0.304 1.00 . A A . 13 MET N 1 1 6 2718 1 1 13 MET O O -5.139 4.701 1.961 1.00 . A A . 13 MET O 1 1 6 2719 1 1 13 MET SD S -8.838 5.252 -1.347 1.00 . A A . 13 MET SD 1 1 6 2720 1 1 14 ARG C C -6.169 3.395 4.727 1.00 . A A . 14 ARG C 1 1 6 2721 1 1 14 ARG CA C -7.165 3.977 3.722 1.00 . A A . 14 ARG CA 1 1 6 2722 1 1 14 ARG CB C -8.589 3.701 4.207 1.00 . A A . 14 ARG CB 1 1 6 2723 1 1 14 ARG CD C -9.438 5.870 3.243 1.00 . A A . 14 ARG CD 1 1 6 2724 1 1 14 ARG CG C -9.620 4.352 3.283 1.00 . A A . 14 ARG CG 1 1 6 2725 1 1 14 ARG CZ C -10.834 7.840 2.622 1.00 . A A . 14 ARG CZ 1 1 6 2726 1 1 14 ARG H H -7.590 2.696 2.136 1.00 . A A . 14 ARG H 1 1 6 2727 1 1 14 ARG HA H -7.011 5.049 3.593 1.00 . A A . 14 ARG HA 1 1 6 2728 1 1 14 ARG HB2 H -8.761 2.625 4.249 1.00 . A A . 14 ARG HB2 1 1 6 2729 1 1 14 ARG HB3 H -8.712 4.082 5.221 1.00 . A A . 14 ARG HB3 1 1 6 2730 1 1 14 ARG HD2 H -9.202 6.243 4.239 1.00 . A A . 14 ARG HD2 1 1 6 2731 1 1 14 ARG HD3 H -8.598 6.128 2.598 1.00 . A A . 14 ARG HD3 1 1 6 2732 1 1 14 ARG HE H -11.436 5.924 2.479 1.00 . A A . 14 ARG HE 1 1 6 2733 1 1 14 ARG HG2 H -9.521 3.943 2.277 1.00 . A A . 14 ARG HG2 1 1 6 2734 1 1 14 ARG HG3 H -10.626 4.111 3.627 1.00 . A A . 14 ARG HG3 1 1 6 2735 1 1 14 ARG HH11 H -8.976 8.299 3.310 1.00 . A A . 14 ARG HH11 1 1 6 2736 1 1 14 ARG HH12 H -9.958 9.658 2.875 1.00 . A A . 14 ARG HH12 1 1 6 2737 1 1 14 ARG HH21 H -12.732 7.717 1.904 1.00 . A A . 14 ARG HH21 1 1 6 2738 1 1 14 ARG HH22 H -12.109 9.324 2.070 1.00 . A A . 14 ARG HH22 1 1 6 2739 1 1 14 ARG N N -6.942 3.408 2.404 1.00 . A A . 14 ARG N 1 1 6 2740 1 1 14 ARG NE N -10.673 6.515 2.743 1.00 . A A . 14 ARG NE 1 1 6 2741 1 1 14 ARG NH1 N -9.838 8.669 2.965 1.00 . A A . 14 ARG NH1 1 1 6 2742 1 1 14 ARG NH2 N -11.989 8.335 2.160 1.00 . A A . 14 ARG NH2 1 1 6 2743 1 1 14 ARG O O -5.511 4.137 5.454 1.00 . A A . 14 ARG O 1 1 6 2744 1 1 15 SER C C -3.783 1.319 5.029 1.00 . A A . 15 SER C 1 1 6 2745 1 1 15 SER CA C -5.185 1.383 5.639 1.00 . A A . 15 SER CA 1 1 6 2746 1 1 15 SER CB C -5.691 -0.026 5.955 1.00 . A A . 15 SER CB 1 1 6 2747 1 1 15 SER H H -6.629 1.477 4.140 1.00 . A A . 15 SER H 1 1 6 2748 1 1 15 SER HA H -5.178 1.979 6.551 1.00 . A A . 15 SER HA 1 1 6 2749 1 1 15 SER HB2 H -6.298 -0.388 5.125 1.00 . A A . 15 SER HB2 1 1 6 2750 1 1 15 SER HB3 H -4.842 -0.704 6.048 1.00 . A A . 15 SER HB3 1 1 6 2751 1 1 15 SER HG H -6.112 0.618 7.803 1.00 . A A . 15 SER HG 1 1 6 2752 1 1 15 SER N N -6.090 2.073 4.735 1.00 . A A . 15 SER N 1 1 6 2753 1 1 15 SER O O -2.907 0.629 5.547 1.00 . A A . 15 SER O 1 1 6 2754 1 1 15 SER OG O -6.458 -0.061 7.155 1.00 . A A . 15 SER OG 1 1 6 2755 1 1 16 ASP C C -1.593 3.367 3.627 1.00 . A A . 16 ASP C 1 1 6 2756 1 1 16 ASP CA C -2.335 2.083 3.249 1.00 . A A . 16 ASP CA 1 1 6 2757 1 1 16 ASP CB C -2.524 2.076 1.730 1.00 . A A . 16 ASP CB 1 1 6 2758 1 1 16 ASP CG C -2.242 0.735 1.050 1.00 . A A . 16 ASP CG 1 1 6 2759 1 1 16 ASP H H -4.333 2.607 3.519 1.00 . A A . 16 ASP H 1 1 6 2760 1 1 16 ASP HA H -1.810 1.186 3.576 1.00 . A A . 16 ASP HA 1 1 6 2761 1 1 16 ASP HB2 H -3.548 2.373 1.505 1.00 . A A . 16 ASP HB2 1 1 6 2762 1 1 16 ASP HB3 H -1.870 2.832 1.295 1.00 . A A . 16 ASP HB3 1 1 6 2763 1 1 16 ASP N N -3.615 2.048 3.935 1.00 . A A . 16 ASP N 1 1 6 2764 1 1 16 ASP O O -0.376 3.453 3.471 1.00 . A A . 16 ASP O 1 1 6 2765 1 1 16 ASP OD1 O -2.455 -0.298 1.721 1.00 . A A . 16 ASP OD1 1 1 6 2766 1 1 16 ASP OD2 O -1.820 0.773 -0.126 1.00 . A A . 16 ASP OD2 1 1 6 2767 1 1 17 ALA C C -1.289 5.505 5.961 1.00 . A A . 17 ALA C 1 1 6 2768 1 1 17 ALA CA C -1.788 5.607 4.518 1.00 . A A . 17 ALA CA 1 1 6 2769 1 1 17 ALA CB C -2.831 6.711 4.339 1.00 . A A . 17 ALA CB 1 1 6 2770 1 1 17 ALA H H -3.347 4.253 4.240 1.00 . A A . 17 ALA H 1 1 6 2771 1 1 17 ALA HA H -0.942 5.813 3.864 1.00 . A A . 17 ALA HA 1 1 6 2772 1 1 17 ALA HB1 H -2.528 7.369 3.524 1.00 . A A . 17 ALA HB1 1 1 6 2773 1 1 17 ALA HB2 H -3.797 6.264 4.104 1.00 . A A . 17 ALA HB2 1 1 6 2774 1 1 17 ALA HB3 H -2.912 7.288 5.260 1.00 . A A . 17 ALA HB3 1 1 6 2775 1 1 17 ALA N N -2.358 4.332 4.117 1.00 . A A . 17 ALA N 1 1 6 2776 1 1 17 ALA O O -1.326 6.484 6.705 1.00 . A A . 17 ALA O 1 1 6 2777 1 1 18 LEU C C 0.337 2.692 7.703 1.00 . A A . 18 LEU C 1 1 6 2778 1 1 18 LEU CA C -0.327 4.070 7.654 1.00 . A A . 18 LEU CA 1 1 6 2779 1 1 18 LEU CB C -1.439 4.254 8.688 1.00 . A A . 18 LEU CB 1 1 6 2780 1 1 18 LEU CD1 C -2.613 2.356 7.513 1.00 . A A . 18 LEU CD1 1 1 6 2781 1 1 18 LEU CD2 C -1.946 2.130 9.950 1.00 . A A . 18 LEU CD2 1 1 6 2782 1 1 18 LEU CG C -2.410 3.081 8.844 1.00 . A A . 18 LEU CG 1 1 6 2783 1 1 18 LEU H H -0.806 3.521 5.702 1.00 . A A . 18 LEU H 1 1 6 2784 1 1 18 LEU HA H 0.431 4.826 7.858 1.00 . A A . 18 LEU HA 1 1 6 2785 1 1 18 LEU HB2 H -0.979 4.451 9.656 1.00 . A A . 18 LEU HB2 1 1 6 2786 1 1 18 LEU HB3 H -2.013 5.141 8.421 1.00 . A A . 18 LEU HB3 1 1 6 2787 1 1 18 LEU HD11 H -2.723 3.089 6.713 1.00 . A A . 18 LEU HD11 1 1 6 2788 1 1 18 LEU HD12 H -1.750 1.723 7.308 1.00 . A A . 18 LEU HD12 1 1 6 2789 1 1 18 LEU HD13 H -3.511 1.741 7.568 1.00 . A A . 18 LEU HD13 1 1 6 2790 1 1 18 LEU HD21 H -1.076 2.553 10.452 1.00 . A A . 18 LEU HD21 1 1 6 2791 1 1 18 LEU HD22 H -2.751 1.993 10.672 1.00 . A A . 18 LEU HD22 1 1 6 2792 1 1 18 LEU HD23 H -1.682 1.167 9.513 1.00 . A A . 18 LEU HD23 1 1 6 2793 1 1 18 LEU HG H -3.379 3.478 9.147 1.00 . A A . 18 LEU HG 1 1 6 2794 1 1 18 LEU N N -0.833 4.312 6.313 1.00 . A A . 18 LEU N 1 1 6 2795 1 1 18 LEU O O 0.310 2.023 8.734 1.00 . A A . 18 LEU O 1 1 6 2796 1 1 19 SER C C 2.888 1.171 5.685 1.00 . A A . 19 SER C 1 1 6 2797 1 1 19 SER CA C 1.586 1.024 6.476 1.00 . A A . 19 SER CA 1 1 6 2798 1 1 19 SER CB C 0.681 -0.019 5.819 1.00 . A A . 19 SER CB 1 1 6 2799 1 1 19 SER H H 0.934 2.860 5.740 1.00 . A A . 19 SER H 1 1 6 2800 1 1 19 SER HA H 1.795 0.728 7.504 1.00 . A A . 19 SER HA 1 1 6 2801 1 1 19 SER HB2 H -0.127 0.484 5.288 1.00 . A A . 19 SER HB2 1 1 6 2802 1 1 19 SER HB3 H 1.250 -0.578 5.076 1.00 . A A . 19 SER HB3 1 1 6 2803 1 1 19 SER HG H -0.674 -0.516 7.206 1.00 . A A . 19 SER HG 1 1 6 2804 1 1 19 SER N N 0.917 2.310 6.574 1.00 . A A . 19 SER N 1 1 6 2805 1 1 19 SER O O 3.497 0.176 5.294 1.00 . A A . 19 SER O 1 1 6 2806 1 1 19 SER OG O 0.130 -0.924 6.772 1.00 . A A . 19 SER OG 1 1 6 2807 1 1 20 LYS C C 5.580 3.164 5.711 1.00 . A A . 20 LYS C 1 1 6 2808 1 1 20 LYS CA C 4.493 2.710 4.734 1.00 . A A . 20 LYS CA 1 1 6 2809 1 1 20 LYS CB C 4.215 3.714 3.614 1.00 . A A . 20 LYS CB 1 1 6 2810 1 1 20 LYS CD C 1.946 4.610 2.975 1.00 . A A . 20 LYS CD 1 1 6 2811 1 1 20 LYS CE C 2.692 5.905 2.649 1.00 . A A . 20 LYS CE 1 1 6 2812 1 1 20 LYS CG C 2.888 3.405 2.918 1.00 . A A . 20 LYS CG 1 1 6 2813 1 1 20 LYS H H 2.774 3.224 5.792 1.00 . A A . 20 LYS H 1 1 6 2814 1 1 20 LYS HA H 4.818 1.783 4.262 1.00 . A A . 20 LYS HA 1 1 6 2815 1 1 20 LYS HB2 H 4.189 4.724 4.023 1.00 . A A . 20 LYS HB2 1 1 6 2816 1 1 20 LYS HB3 H 5.026 3.687 2.886 1.00 . A A . 20 LYS HB3 1 1 6 2817 1 1 20 LYS HD2 H 1.128 4.470 2.268 1.00 . A A . 20 LYS HD2 1 1 6 2818 1 1 20 LYS HD3 H 1.501 4.682 3.967 1.00 . A A . 20 LYS HD3 1 1 6 2819 1 1 20 LYS HE2 H 3.104 6.334 3.563 1.00 . A A . 20 LYS HE2 1 1 6 2820 1 1 20 LYS HE3 H 3.534 5.691 1.990 1.00 . A A . 20 LYS HE3 1 1 6 2821 1 1 20 LYS HG2 H 3.073 3.132 1.879 1.00 . A A . 20 LYS HG2 1 1 6 2822 1 1 20 LYS HG3 H 2.415 2.547 3.394 1.00 . A A . 20 LYS HG3 1 1 6 2823 1 1 20 LYS HZ1 H 2.256 7.320 1.240 1.00 . A A . 20 LYS HZ1 1 1 6 2824 1 1 20 LYS HZ2 H 0.973 6.403 1.663 1.00 . A A . 20 LYS HZ2 1 1 6 2825 1 1 20 LYS HZ3 H 1.509 7.571 2.670 1.00 . A A . 20 LYS HZ3 1 1 6 2826 1 1 20 LYS N N 3.275 2.420 5.471 1.00 . A A . 20 LYS N 1 1 6 2827 1 1 20 LYS NZ N 1.784 6.879 2.003 1.00 . A A . 20 LYS NZ 1 1 6 2828 1 1 20 LYS O O 6.754 3.232 5.350 1.00 . A A . 20 LYS O 1 1 6 2829 1 1 21 HIS C C 5.971 2.981 9.172 1.00 . A A . 21 HIS C 1 1 6 2830 1 1 21 HIS CA C 6.072 3.908 7.959 1.00 . A A . 21 HIS CA 1 1 6 2831 1 1 21 HIS CB C 5.823 5.376 8.312 1.00 . A A . 21 HIS CB 1 1 6 2832 1 1 21 HIS CD2 C 4.263 6.528 6.560 1.00 . A A . 21 HIS CD2 1 1 6 2833 1 1 21 HIS CE1 C 2.403 6.464 7.710 1.00 . A A . 21 HIS CE1 1 1 6 2834 1 1 21 HIS CG C 4.534 5.932 7.756 1.00 . A A . 21 HIS CG 1 1 6 2835 1 1 21 HIS H H 4.193 3.404 7.213 1.00 . A A . 21 HIS H 1 1 6 2836 1 1 21 HIS HA H 7.074 3.832 7.537 1.00 . A A . 21 HIS HA 1 1 6 2837 1 1 21 HIS HB2 H 5.815 5.481 9.397 1.00 . A A . 21 HIS HB2 1 1 6 2838 1 1 21 HIS HB3 H 6.655 5.974 7.940 1.00 . A A . 21 HIS HB3 1 1 6 2839 1 1 21 HIS HD1 H 3.212 5.531 9.377 1.00 . A A . 21 HIS HD1 1 1 6 2840 1 1 21 HIS HD2 H 4.982 6.710 5.762 1.00 . A A . 21 HIS HD2 1 1 6 2841 1 1 21 HIS HE1 H 1.356 6.594 7.986 1.00 . A A . 21 HIS HE1 1 1 6 2842 1 1 21 HIS HE2 H 2.515 7.347 5.799 1.00 . A A . 21 HIS HE2 1 1 6 2843 1 1 21 HIS N N 5.150 3.462 6.928 1.00 . A A . 21 HIS N 1 1 6 2844 1 1 21 HIS ND1 N 3.342 5.906 8.460 1.00 . A A . 21 HIS ND1 1 1 6 2845 1 1 21 HIS NE2 N 2.975 6.848 6.533 1.00 . A A . 21 HIS NE2 1 1 6 2846 1 1 21 HIS O O 6.684 3.164 10.158 1.00 . A A . 21 HIS O 1 1 6 2847 1 1 22 ILE C C 5.630 -0.242 9.812 1.00 . A A . 22 ILE C 1 1 6 2848 1 1 22 ILE CA C 4.878 1.050 10.135 1.00 . A A . 22 ILE CA 1 1 6 2849 1 1 22 ILE CB C 3.384 0.844 10.394 1.00 . A A . 22 ILE CB 1 1 6 2850 1 1 22 ILE CD1 C 1.355 -0.548 9.844 1.00 . A A . 22 ILE CD1 1 1 6 2851 1 1 22 ILE CG1 C 2.865 -0.391 9.655 1.00 . A A . 22 ILE CG1 1 1 6 2852 1 1 22 ILE CG2 C 2.588 2.101 10.040 1.00 . A A . 22 ILE CG2 1 1 6 2853 1 1 22 ILE H H 4.505 1.865 8.254 1.00 . A A . 22 ILE H 1 1 6 2854 1 1 22 ILE HA H 5.306 1.482 11.040 1.00 . A A . 22 ILE HA 1 1 6 2855 1 1 22 ILE HB H 3.244 0.664 11.460 1.00 . A A . 22 ILE HB 1 1 6 2856 1 1 22 ILE HD11 H 1.132 -1.570 10.149 1.00 . A A . 22 ILE HD11 1 1 6 2857 1 1 22 ILE HD12 H 1.011 0.144 10.612 1.00 . A A . 22 ILE HD12 1 1 6 2858 1 1 22 ILE HD13 H 0.847 -0.331 8.904 1.00 . A A . 22 ILE HD13 1 1 6 2859 1 1 22 ILE HG12 H 3.096 -0.307 8.593 1.00 . A A . 22 ILE HG12 1 1 6 2860 1 1 22 ILE HG13 H 3.376 -1.281 10.023 1.00 . A A . 22 ILE HG13 1 1 6 2861 1 1 22 ILE HG21 H 3.115 2.981 10.409 1.00 . A A . 22 ILE HG21 1 1 6 2862 1 1 22 ILE HG22 H 2.480 2.170 8.957 1.00 . A A . 22 ILE HG22 1 1 6 2863 1 1 22 ILE HG23 H 1.602 2.048 10.501 1.00 . A A . 22 ILE HG23 1 1 6 2864 1 1 22 ILE N N 5.081 2.006 9.060 1.00 . A A . 22 ILE N 1 1 6 2865 1 1 22 ILE O O 6.299 -0.808 10.675 1.00 . A A . 22 ILE O 1 1 6 2866 1 1 23 LYS C C 7.622 -1.583 7.811 1.00 . A A . 23 LYS C 1 1 6 2867 1 1 23 LYS CA C 6.154 -1.887 8.117 1.00 . A A . 23 LYS CA 1 1 6 2868 1 1 23 LYS CB C 5.395 -2.504 6.941 1.00 . A A . 23 LYS CB 1 1 6 2869 1 1 23 LYS CD C 4.687 -4.447 8.384 1.00 . A A . 23 LYS CD 1 1 6 2870 1 1 23 LYS CE C 3.950 -5.760 8.113 1.00 . A A . 23 LYS CE 1 1 6 2871 1 1 23 LYS CG C 4.216 -3.347 7.431 1.00 . A A . 23 LYS CG 1 1 6 2872 1 1 23 LYS H H 4.949 -0.205 7.869 1.00 . A A . 23 LYS H 1 1 6 2873 1 1 23 LYS HA H 6.113 -2.602 8.938 1.00 . A A . 23 LYS HA 1 1 6 2874 1 1 23 LYS HB2 H 5.034 -1.715 6.281 1.00 . A A . 23 LYS HB2 1 1 6 2875 1 1 23 LYS HB3 H 6.072 -3.125 6.353 1.00 . A A . 23 LYS HB3 1 1 6 2876 1 1 23 LYS HD2 H 5.761 -4.598 8.269 1.00 . A A . 23 LYS HD2 1 1 6 2877 1 1 23 LYS HD3 H 4.518 -4.137 9.415 1.00 . A A . 23 LYS HD3 1 1 6 2878 1 1 23 LYS HE2 H 4.016 -6.408 8.987 1.00 . A A . 23 LYS HE2 1 1 6 2879 1 1 23 LYS HE3 H 2.892 -5.562 7.943 1.00 . A A . 23 LYS HE3 1 1 6 2880 1 1 23 LYS HG2 H 3.493 -2.708 7.937 1.00 . A A . 23 LYS HG2 1 1 6 2881 1 1 23 LYS HG3 H 3.705 -3.794 6.578 1.00 . A A . 23 LYS HG3 1 1 6 2882 1 1 23 LYS HZ1 H 5.523 -6.475 7.022 1.00 . A A . 23 LYS HZ1 1 1 6 2883 1 1 23 LYS HZ2 H 4.170 -7.378 6.883 1.00 . A A . 23 LYS HZ2 1 1 6 2884 1 1 23 LYS HZ3 H 4.280 -5.947 6.105 1.00 . A A . 23 LYS HZ3 1 1 6 2885 1 1 23 LYS N N 5.495 -0.671 8.565 1.00 . A A . 23 LYS N 1 1 6 2886 1 1 23 LYS NZ N 4.528 -6.446 6.935 1.00 . A A . 23 LYS NZ 1 1 6 2887 1 1 23 LYS O O 8.367 -2.465 7.386 1.00 . A A . 23 LYS O 1 1 6 2888 1 1 24 THR C C 9.579 1.512 8.337 1.00 . A A . 24 THR C 1 1 6 2889 1 1 24 THR CA C 9.360 0.100 7.792 1.00 . A A . 24 THR CA 1 1 6 2890 1 1 24 THR CB C 9.630 -0.021 6.291 1.00 . A A . 24 THR CB 1 1 6 2891 1 1 24 THR CG2 C 8.718 0.881 5.457 1.00 . A A . 24 THR CG2 1 1 6 2892 1 1 24 THR H H 7.382 0.380 8.384 1.00 . A A . 24 THR H 1 1 6 2893 1 1 24 THR HA H 10.033 -0.562 8.338 1.00 . A A . 24 THR HA 1 1 6 2894 1 1 24 THR HB H 9.556 -1.059 5.965 1.00 . A A . 24 THR HB 1 1 6 2895 1 1 24 THR HG1 H 11.622 -0.170 6.166 1.00 . A A . 24 THR HG1 1 1 6 2896 1 1 24 THR HG21 H 8.227 0.288 4.686 1.00 . A A . 24 THR HG21 1 1 6 2897 1 1 24 THR HG22 H 7.965 1.332 6.103 1.00 . A A . 24 THR HG22 1 1 6 2898 1 1 24 THR HG23 H 9.313 1.665 4.989 1.00 . A A . 24 THR HG23 1 1 6 2899 1 1 24 THR N N 7.994 -0.332 8.038 1.00 . A A . 24 THR N 1 1 6 2900 1 1 24 THR O O 9.263 1.792 9.493 1.00 . A A . 24 THR O 1 1 6 2901 1 1 24 THR OG1 O 10.926 0.547 6.125 1.00 . A A . 24 THR OG1 1 1 6 2902 1 1 25 ALA C C 11.285 4.393 6.809 1.00 . A A . 25 ALA C 1 1 6 2903 1 1 25 ALA CA C 10.386 3.742 7.861 1.00 . A A . 25 ALA CA 1 1 6 2904 1 1 25 ALA CB C 11.006 3.774 9.259 1.00 . A A . 25 ALA CB 1 1 6 2905 1 1 25 ALA H H 10.374 2.130 6.542 1.00 . A A . 25 ALA H 1 1 6 2906 1 1 25 ALA HA H 9.432 4.269 7.888 1.00 . A A . 25 ALA HA 1 1 6 2907 1 1 25 ALA HB1 H 11.676 2.922 9.379 1.00 . A A . 25 ALA HB1 1 1 6 2908 1 1 25 ALA HB2 H 11.568 4.699 9.386 1.00 . A A . 25 ALA HB2 1 1 6 2909 1 1 25 ALA HB3 H 10.216 3.723 10.009 1.00 . A A . 25 ALA HB3 1 1 6 2910 1 1 25 ALA N N 10.120 2.365 7.480 1.00 . A A . 25 ALA N 1 1 6 2911 1 1 25 ALA O O 12.346 4.923 7.136 1.00 . A A . 25 ALA O 1 1 6 2912 1 1 26 PHE C C 10.847 4.706 3.137 1.00 . A A . 26 PHE C 1 1 6 2913 1 1 26 PHE CA C 11.579 4.910 4.464 1.00 . A A . 26 PHE CA 1 1 6 2914 1 1 26 PHE CB C 12.924 4.181 4.408 1.00 . A A . 26 PHE CB 1 1 6 2915 1 1 26 PHE CD1 C 11.594 2.122 3.896 1.00 . A A . 26 PHE CD1 1 1 6 2916 1 1 26 PHE CD2 C 13.943 1.977 3.796 1.00 . A A . 26 PHE CD2 1 1 6 2917 1 1 26 PHE CE1 C 11.494 0.752 3.535 1.00 . A A . 26 PHE CE1 1 1 6 2918 1 1 26 PHE CE2 C 13.843 0.608 3.435 1.00 . A A . 26 PHE CE2 1 1 6 2919 1 1 26 PHE CG C 12.816 2.706 4.019 1.00 . A A . 26 PHE CG 1 1 6 2920 1 1 26 PHE CZ C 12.621 0.024 3.312 1.00 . A A . 26 PHE CZ 1 1 6 2921 1 1 26 PHE H H 9.965 3.899 5.309 1.00 . A A . 26 PHE H 1 1 6 2922 1 1 26 PHE HA H 11.677 5.977 4.664 1.00 . A A . 26 PHE HA 1 1 6 2923 1 1 26 PHE HB2 H 13.571 4.689 3.693 1.00 . A A . 26 PHE HB2 1 1 6 2924 1 1 26 PHE HB3 H 13.406 4.255 5.383 1.00 . A A . 26 PHE HB3 1 1 6 2925 1 1 26 PHE HD1 H 10.691 2.706 4.075 1.00 . A A . 26 PHE HD1 1 1 6 2926 1 1 26 PHE HD2 H 14.923 2.445 3.895 1.00 . A A . 26 PHE HD2 1 1 6 2927 1 1 26 PHE HE1 H 10.514 0.285 3.437 1.00 . A A . 26 PHE HE1 1 1 6 2928 1 1 26 PHE HE2 H 14.746 0.024 3.256 1.00 . A A . 26 PHE HE2 1 1 6 2929 1 1 26 PHE HZ H 12.544 -1.027 3.035 1.00 . A A . 26 PHE HZ 1 1 6 2930 1 1 26 PHE N N 10.829 4.332 5.567 1.00 . A A . 26 PHE N 1 1 6 2931 1 1 26 PHE O O 9.636 4.490 3.118 1.00 . A A . 26 PHE O 1 1 6 2932 1 1 27 ILE C C 11.937 3.656 -0.074 1.00 . A A . 27 ILE C 1 1 6 2933 1 1 27 ILE CA C 11.051 4.611 0.729 1.00 . A A . 27 ILE CA 1 1 6 2934 1 1 27 ILE CB C 10.842 5.969 0.055 1.00 . A A . 27 ILE CB 1 1 6 2935 1 1 27 ILE CD1 C 12.372 6.598 -1.848 1.00 . A A . 27 ILE CD1 1 1 6 2936 1 1 27 ILE CG1 C 12.180 6.602 -0.330 1.00 . A A . 27 ILE CG1 1 1 6 2937 1 1 27 ILE CG2 C 10.002 6.895 0.937 1.00 . A A . 27 ILE CG2 1 1 6 2938 1 1 27 ILE H H 12.596 4.960 2.081 1.00 . A A . 27 ILE H 1 1 6 2939 1 1 27 ILE HA H 10.068 4.154 0.846 1.00 . A A . 27 ILE HA 1 1 6 2940 1 1 27 ILE HB H 10.284 5.809 -0.868 1.00 . A A . 27 ILE HB 1 1 6 2941 1 1 27 ILE HD11 H 11.727 7.352 -2.298 1.00 . A A . 27 ILE HD11 1 1 6 2942 1 1 27 ILE HD12 H 13.413 6.822 -2.084 1.00 . A A . 27 ILE HD12 1 1 6 2943 1 1 27 ILE HD13 H 12.114 5.616 -2.245 1.00 . A A . 27 ILE HD13 1 1 6 2944 1 1 27 ILE HG12 H 12.223 7.625 0.042 1.00 . A A . 27 ILE HG12 1 1 6 2945 1 1 27 ILE HG13 H 12.995 6.055 0.144 1.00 . A A . 27 ILE HG13 1 1 6 2946 1 1 27 ILE HG21 H 10.208 7.932 0.673 1.00 . A A . 27 ILE HG21 1 1 6 2947 1 1 27 ILE HG22 H 8.944 6.683 0.782 1.00 . A A . 27 ILE HG22 1 1 6 2948 1 1 27 ILE HG23 H 10.256 6.728 1.983 1.00 . A A . 27 ILE HG23 1 1 6 2949 1 1 27 ILE N N 11.612 4.784 2.058 1.00 . A A . 27 ILE N 1 1 6 2950 1 1 27 ILE O O 12.813 4.094 -0.818 1.00 . A A . 27 ILE O 1 1 6 2951 1 1 28 VAL C C 11.612 0.066 -0.678 1.00 . A A . 28 VAL C 1 1 6 2952 1 1 28 VAL CA C 12.441 1.349 -0.595 1.00 . A A . 28 VAL CA 1 1 6 2953 1 1 28 VAL CB C 13.793 1.143 0.093 1.00 . A A . 28 VAL CB 1 1 6 2954 1 1 28 VAL CG1 C 14.407 -0.203 -0.296 1.00 . A A . 28 VAL CG1 1 1 6 2955 1 1 28 VAL CG2 C 14.749 2.295 -0.223 1.00 . A A . 28 VAL CG2 1 1 6 2956 1 1 28 VAL H H 10.964 2.021 0.711 1.00 . A A . 28 VAL H 1 1 6 2957 1 1 28 VAL HA H 12.628 1.712 -1.605 1.00 . A A . 28 VAL HA 1 1 6 2958 1 1 28 VAL HB H 13.623 1.135 1.170 1.00 . A A . 28 VAL HB 1 1 6 2959 1 1 28 VAL HG11 H 14.594 -0.220 -1.370 1.00 . A A . 28 VAL HG11 1 1 6 2960 1 1 28 VAL HG12 H 15.347 -0.341 0.238 1.00 . A A . 28 VAL HG12 1 1 6 2961 1 1 28 VAL HG13 H 13.718 -1.006 -0.035 1.00 . A A . 28 VAL HG13 1 1 6 2962 1 1 28 VAL HG21 H 14.447 3.182 0.334 1.00 . A A . 28 VAL HG21 1 1 6 2963 1 1 28 VAL HG22 H 15.763 2.014 0.063 1.00 . A A . 28 VAL HG22 1 1 6 2964 1 1 28 VAL HG23 H 14.719 2.509 -1.292 1.00 . A A . 28 VAL HG23 1 1 6 2965 1 1 28 VAL N N 11.678 2.369 0.104 1.00 . A A . 28 VAL N 1 1 6 2966 1 1 28 VAL O O 11.367 -0.449 -1.768 1.00 . A A . 28 VAL O 1 1 6 2967 1 1 29 VAL C C 9.033 -1.296 1.147 1.00 . A A . 29 VAL C 1 1 6 2968 1 1 29 VAL CA C 10.407 -1.627 0.560 1.00 . A A . 29 VAL CA 1 1 6 2969 1 1 29 VAL CB C 11.155 -2.698 1.356 1.00 . A A . 29 VAL CB 1 1 6 2970 1 1 29 VAL CG1 C 10.689 -2.723 2.813 1.00 . A A . 29 VAL CG1 1 1 6 2971 1 1 29 VAL CG2 C 10.999 -4.074 0.706 1.00 . A A . 29 VAL CG2 1 1 6 2972 1 1 29 VAL H H 11.407 0.011 1.369 1.00 . A A . 29 VAL H 1 1 6 2973 1 1 29 VAL HA H 10.274 -1.994 -0.458 1.00 . A A . 29 VAL HA 1 1 6 2974 1 1 29 VAL HB H 12.215 -2.442 1.348 1.00 . A A . 29 VAL HB 1 1 6 2975 1 1 29 VAL HG11 H 10.573 -1.701 3.175 1.00 . A A . 29 VAL HG11 1 1 6 2976 1 1 29 VAL HG12 H 9.733 -3.243 2.880 1.00 . A A . 29 VAL HG12 1 1 6 2977 1 1 29 VAL HG13 H 11.428 -3.242 3.423 1.00 . A A . 29 VAL HG13 1 1 6 2978 1 1 29 VAL HG21 H 10.091 -4.550 1.078 1.00 . A A . 29 VAL HG21 1 1 6 2979 1 1 29 VAL HG22 H 10.932 -3.959 -0.375 1.00 . A A . 29 VAL HG22 1 1 6 2980 1 1 29 VAL HG23 H 11.861 -4.693 0.954 1.00 . A A . 29 VAL HG23 1 1 6 2981 1 1 29 VAL N N 11.203 -0.414 0.487 1.00 . A A . 29 VAL N 1 1 6 2982 1 1 29 VAL O O 8.138 -2.140 1.156 1.00 . A A . 29 VAL O 1 1 6 2983 1 1 30 ALA C C 6.570 0.394 1.138 1.00 . A A . 30 ALA C 1 1 6 2984 1 1 30 ALA CA C 7.660 0.388 2.211 1.00 . A A . 30 ALA CA 1 1 6 2985 1 1 30 ALA CB C 7.864 1.766 2.844 1.00 . A A . 30 ALA CB 1 1 6 2986 1 1 30 ALA H H 9.642 0.615 1.612 1.00 . A A . 30 ALA H 1 1 6 2987 1 1 30 ALA HA H 7.385 -0.320 2.992 1.00 . A A . 30 ALA HA 1 1 6 2988 1 1 30 ALA HB1 H 7.300 1.825 3.775 1.00 . A A . 30 ALA HB1 1 1 6 2989 1 1 30 ALA HB2 H 8.923 1.918 3.049 1.00 . A A . 30 ALA HB2 1 1 6 2990 1 1 30 ALA HB3 H 7.512 2.536 2.157 1.00 . A A . 30 ALA HB3 1 1 6 2991 1 1 30 ALA N N 8.910 -0.065 1.623 1.00 . A A . 30 ALA N 1 1 6 2992 1 1 30 ALA O O 6.586 1.230 0.235 1.00 . A A . 30 ALA O 1 1 6 2993 1 1 31 LEU C C 3.893 0.709 0.146 1.00 . A A . 31 LEU C 1 1 6 2994 1 1 31 LEU CA C 4.551 -0.661 0.324 1.00 . A A . 31 LEU CA 1 1 6 2995 1 1 31 LEU CB C 3.578 -1.759 0.759 1.00 . A A . 31 LEU CB 1 1 6 2996 1 1 31 LEU CD1 C 1.265 -1.469 1.719 1.00 . A A . 31 LEU CD1 1 1 6 2997 1 1 31 LEU CD2 C 3.121 -2.454 3.140 1.00 . A A . 31 LEU CD2 1 1 6 2998 1 1 31 LEU CG C 2.764 -1.472 2.022 1.00 . A A . 31 LEU CG 1 1 6 2999 1 1 31 LEU H H 5.641 -1.224 2.008 1.00 . A A . 31 LEU H 1 1 6 3000 1 1 31 LEU HA H 4.976 -0.967 -0.632 1.00 . A A . 31 LEU HA 1 1 6 3001 1 1 31 LEU HB2 H 2.886 -1.949 -0.060 1.00 . A A . 31 LEU HB2 1 1 6 3002 1 1 31 LEU HB3 H 4.145 -2.677 0.917 1.00 . A A . 31 LEU HB3 1 1 6 3003 1 1 31 LEU HD11 H 0.853 -2.459 1.914 1.00 . A A . 31 LEU HD11 1 1 6 3004 1 1 31 LEU HD12 H 0.767 -0.736 2.355 1.00 . A A . 31 LEU HD12 1 1 6 3005 1 1 31 LEU HD13 H 1.106 -1.208 0.672 1.00 . A A . 31 LEU HD13 1 1 6 3006 1 1 31 LEU HD21 H 2.756 -3.447 2.881 1.00 . A A . 31 LEU HD21 1 1 6 3007 1 1 31 LEU HD22 H 4.204 -2.485 3.264 1.00 . A A . 31 LEU HD22 1 1 6 3008 1 1 31 LEU HD23 H 2.658 -2.128 4.072 1.00 . A A . 31 LEU HD23 1 1 6 3009 1 1 31 LEU HG H 3.023 -0.474 2.376 1.00 . A A . 31 LEU HG 1 1 6 3010 1 1 31 LEU N N 5.647 -0.548 1.271 1.00 . A A . 31 LEU N 1 1 6 3011 1 1 31 LEU O O 4.298 1.683 0.778 1.00 . A A . 31 LEU O 1 1 6 3012 1 1 32 GLY C C 2.542 2.537 -2.358 1.00 . A A . 32 GLY C 1 1 6 3013 1 1 32 GLY CA C 2.170 1.973 -0.985 1.00 . A A . 32 GLY CA 1 1 6 3014 1 1 32 GLY H H 2.564 -0.058 -1.226 1.00 . A A . 32 GLY H 1 1 6 3015 1 1 32 GLY HA2 H 1.096 1.790 -0.943 1.00 . A A . 32 GLY HA2 1 1 6 3016 1 1 32 GLY HA3 H 2.398 2.707 -0.213 1.00 . A A . 32 GLY HA3 1 1 6 3017 1 1 32 GLY N N 2.888 0.739 -0.717 1.00 . A A . 32 GLY N 1 1 6 3018 1 1 32 GLY O O 3.693 2.439 -2.782 1.00 . A A . 32 GLY O 1 1 7 3019 1 1 1 TYR C C -4.902 -1.622 -15.434 1.00 . A A . 1 TYR C 1 1 7 3020 1 1 1 TYR CA C -3.688 -2.045 -14.604 1.00 . A A . 1 TYR CA 1 1 7 3021 1 1 1 TYR CB C -3.831 -1.481 -13.189 1.00 . A A . 1 TYR CB 1 1 7 3022 1 1 1 TYR CD1 C -6.206 -0.660 -12.982 1.00 . A A . 1 TYR CD1 1 1 7 3023 1 1 1 TYR CD2 C -5.565 -2.599 -11.740 1.00 . A A . 1 TYR CD2 1 1 7 3024 1 1 1 TYR CE1 C -7.539 -0.757 -12.445 1.00 . A A . 1 TYR CE1 1 1 7 3025 1 1 1 TYR CE2 C -6.898 -2.696 -11.203 1.00 . A A . 1 TYR CE2 1 1 7 3026 1 1 1 TYR CG C -5.247 -1.583 -12.619 1.00 . A A . 1 TYR CG 1 1 7 3027 1 1 1 TYR CZ C -7.819 -1.770 -11.582 1.00 . A A . 1 TYR CZ 1 1 7 3028 1 1 1 TYR H1 H -1.857 -1.062 -14.462 1.00 . A A . 1 TYR H1 1 1 7 3029 1 1 1 TYR HA H -3.595 -3.131 -14.637 1.00 . A A . 1 TYR HA 1 1 7 3030 1 1 1 TYR HB2 H -3.145 -2.009 -12.527 1.00 . A A . 1 TYR HB2 1 1 7 3031 1 1 1 TYR HB3 H -3.527 -0.434 -13.194 1.00 . A A . 1 TYR HB3 1 1 7 3032 1 1 1 TYR HD1 H -5.955 0.142 -13.676 1.00 . A A . 1 TYR HD1 1 1 7 3033 1 1 1 TYR HD2 H -4.808 -3.329 -11.453 1.00 . A A . 1 TYR HD2 1 1 7 3034 1 1 1 TYR HE1 H -8.306 -0.034 -12.724 1.00 . A A . 1 TYR HE1 1 1 7 3035 1 1 1 TYR HE2 H -7.162 -3.493 -10.509 1.00 . A A . 1 TYR HE2 1 1 7 3036 1 1 1 TYR HH H -9.045 -2.220 -10.142 1.00 . A A . 1 TYR HH 1 1 7 3037 1 1 1 TYR N N -2.465 -1.474 -15.141 1.00 . A A . 1 TYR N 1 1 7 3038 1 1 1 TYR O O -4.863 -0.604 -16.123 1.00 . A A . 1 TYR O 1 1 7 3039 1 1 1 TYR OH O -9.078 -1.861 -11.075 1.00 . A A . 1 TYR OH 1 1 7 3040 1 1 2 ALA C C -8.374 -2.324 -15.144 1.00 . A A . 2 ALA C 1 1 7 3041 1 1 2 ALA CA C -7.173 -2.148 -16.076 1.00 . A A . 2 ALA CA 1 1 7 3042 1 1 2 ALA CB C -7.250 -3.058 -17.304 1.00 . A A . 2 ALA CB 1 1 7 3043 1 1 2 ALA H H -5.974 -3.253 -14.780 1.00 . A A . 2 ALA H 1 1 7 3044 1 1 2 ALA HA H -7.132 -1.111 -16.409 1.00 . A A . 2 ALA HA 1 1 7 3045 1 1 2 ALA HB1 H -7.932 -2.624 -18.035 1.00 . A A . 2 ALA HB1 1 1 7 3046 1 1 2 ALA HB2 H -6.259 -3.156 -17.745 1.00 . A A . 2 ALA HB2 1 1 7 3047 1 1 2 ALA HB3 H -7.615 -4.041 -17.005 1.00 . A A . 2 ALA HB3 1 1 7 3048 1 1 2 ALA N N -5.951 -2.426 -15.342 1.00 . A A . 2 ALA N 1 1 7 3049 1 1 2 ALA O O -9.174 -1.405 -14.976 1.00 . A A . 2 ALA O 1 1 7 3050 1 1 3 PHE C C -9.043 -4.585 -12.428 1.00 . A A . 3 PHE C 1 1 7 3051 1 1 3 PHE CA C -9.552 -3.820 -13.652 1.00 . A A . 3 PHE CA 1 1 7 3052 1 1 3 PHE CB C -10.538 -4.703 -14.417 1.00 . A A . 3 PHE CB 1 1 7 3053 1 1 3 PHE CD1 C -9.159 -6.421 -15.609 1.00 . A A . 3 PHE CD1 1 1 7 3054 1 1 3 PHE CD2 C -10.522 -7.137 -13.826 1.00 . A A . 3 PHE CD2 1 1 7 3055 1 1 3 PHE CE1 C -8.711 -7.754 -15.802 1.00 . A A . 3 PHE CE1 1 1 7 3056 1 1 3 PHE CE2 C -10.074 -8.470 -14.019 1.00 . A A . 3 PHE CE2 1 1 7 3057 1 1 3 PHE CG C -10.055 -6.140 -14.625 1.00 . A A . 3 PHE CG 1 1 7 3058 1 1 3 PHE CZ C -9.178 -8.751 -15.003 1.00 . A A . 3 PHE CZ 1 1 7 3059 1 1 3 PHE H H -7.807 -4.254 -14.705 1.00 . A A . 3 PHE H 1 1 7 3060 1 1 3 PHE HA H -9.983 -2.872 -13.331 1.00 . A A . 3 PHE HA 1 1 7 3061 1 1 3 PHE HB2 H -11.486 -4.723 -13.879 1.00 . A A . 3 PHE HB2 1 1 7 3062 1 1 3 PHE HB3 H -10.734 -4.252 -15.390 1.00 . A A . 3 PHE HB3 1 1 7 3063 1 1 3 PHE HD1 H -8.785 -5.622 -16.249 1.00 . A A . 3 PHE HD1 1 1 7 3064 1 1 3 PHE HD2 H -11.241 -6.912 -13.038 1.00 . A A . 3 PHE HD2 1 1 7 3065 1 1 3 PHE HE1 H -7.992 -7.979 -16.590 1.00 . A A . 3 PHE HE1 1 1 7 3066 1 1 3 PHE HE2 H -10.448 -9.269 -13.379 1.00 . A A . 3 PHE HE2 1 1 7 3067 1 1 3 PHE HZ H -8.833 -9.774 -15.151 1.00 . A A . 3 PHE HZ 1 1 7 3068 1 1 3 PHE N N -8.462 -3.511 -14.562 1.00 . A A . 3 PHE N 1 1 7 3069 1 1 3 PHE O O -9.401 -4.261 -11.297 1.00 . A A . 3 PHE O 1 1 7 3070 1 1 4 ALA C C -6.675 -7.409 -12.230 1.00 . A A . 4 ALA C 1 1 7 3071 1 1 4 ALA CA C -7.657 -6.400 -11.632 1.00 . A A . 4 ALA CA 1 1 7 3072 1 1 4 ALA CB C -8.789 -7.077 -10.857 1.00 . A A . 4 ALA CB 1 1 7 3073 1 1 4 ALA H H -7.932 -5.842 -13.620 1.00 . A A . 4 ALA H 1 1 7 3074 1 1 4 ALA HA H -7.116 -5.736 -10.957 1.00 . A A . 4 ALA HA 1 1 7 3075 1 1 4 ALA HB1 H -9.089 -7.988 -11.374 1.00 . A A . 4 ALA HB1 1 1 7 3076 1 1 4 ALA HB2 H -8.443 -7.326 -9.853 1.00 . A A . 4 ALA HB2 1 1 7 3077 1 1 4 ALA HB3 H -9.640 -6.399 -10.790 1.00 . A A . 4 ALA HB3 1 1 7 3078 1 1 4 ALA N N -8.218 -5.586 -12.697 1.00 . A A . 4 ALA N 1 1 7 3079 1 1 4 ALA O O -6.663 -8.575 -11.840 1.00 . A A . 4 ALA O 1 1 7 3080 1 1 5 CYS C C -3.876 -8.227 -12.776 1.00 . A A . 5 CYS C 1 1 7 3081 1 1 5 CYS CA C -4.891 -7.768 -13.824 1.00 . A A . 5 CYS CA 1 1 7 3082 1 1 5 CYS CB C -4.218 -7.048 -14.995 1.00 . A A . 5 CYS CB 1 1 7 3083 1 1 5 CYS H H -5.890 -5.973 -13.480 1.00 . A A . 5 CYS H 1 1 7 3084 1 1 5 CYS HA H -5.435 -8.619 -14.235 1.00 . A A . 5 CYS HA 1 1 7 3085 1 1 5 CYS HB2 H -4.400 -5.976 -14.926 1.00 . A A . 5 CYS HB2 1 1 7 3086 1 1 5 CYS HB3 H -3.138 -7.192 -14.948 1.00 . A A . 5 CYS HB3 1 1 7 3087 1 1 5 CYS HG H -6.028 -8.115 -16.095 1.00 . A A . 5 CYS HG 1 1 7 3088 1 1 5 CYS N N -5.875 -6.923 -13.168 1.00 . A A . 5 CYS N 1 1 7 3089 1 1 5 CYS O O -3.625 -9.422 -12.631 1.00 . A A . 5 CYS O 1 1 7 3090 1 1 5 CYS SG S -4.865 -7.692 -16.581 1.00 . A A . 5 CYS SG 1 1 7 3091 1 1 6 PRO C C -2.992 -8.084 -9.770 1.00 . A A . 6 PRO C 1 1 7 3092 1 1 6 PRO CA C -2.322 -7.515 -11.022 1.00 . A A . 6 PRO CA 1 1 7 3093 1 1 6 PRO CB C -1.617 -6.193 -10.769 1.00 . A A . 6 PRO CB 1 1 7 3094 1 1 6 PRO CD C -3.578 -5.800 -12.197 1.00 . A A . 6 PRO CD 1 1 7 3095 1 1 6 PRO CG C -2.536 -5.117 -11.326 1.00 . A A . 6 PRO CG 1 1 7 3096 1 1 6 PRO HA H -1.686 -8.220 -11.336 1.00 . A A . 6 PRO HA 1 1 7 3097 1 1 6 PRO HB2 H -1.439 -6.042 -9.704 1.00 . A A . 6 PRO HB2 1 1 7 3098 1 1 6 PRO HB3 H -0.644 -6.169 -11.261 1.00 . A A . 6 PRO HB3 1 1 7 3099 1 1 6 PRO HD2 H -4.588 -5.555 -11.871 1.00 . A A . 6 PRO HD2 1 1 7 3100 1 1 6 PRO HD3 H -3.493 -5.483 -13.237 1.00 . A A . 6 PRO HD3 1 1 7 3101 1 1 6 PRO HG2 H -3.016 -4.569 -10.515 1.00 . A A . 6 PRO HG2 1 1 7 3102 1 1 6 PRO HG3 H -1.966 -4.393 -11.908 1.00 . A A . 6 PRO HG3 1 1 7 3103 1 1 6 PRO N N -3.305 -7.227 -12.053 1.00 . A A . 6 PRO N 1 1 7 3104 1 1 6 PRO O O -3.042 -9.300 -9.586 1.00 . A A . 6 PRO O 1 1 7 3105 1 1 7 ALA C C -4.313 -6.353 -6.804 1.00 . A A . 7 ALA C 1 1 7 3106 1 1 7 ALA CA C -4.155 -7.576 -7.711 1.00 . A A . 7 ALA CA 1 1 7 3107 1 1 7 ALA CB C -3.363 -8.700 -7.042 1.00 . A A . 7 ALA CB 1 1 7 3108 1 1 7 ALA H H -3.445 -6.192 -9.098 1.00 . A A . 7 ALA H 1 1 7 3109 1 1 7 ALA HA H -5.144 -7.952 -7.975 1.00 . A A . 7 ALA HA 1 1 7 3110 1 1 7 ALA HB1 H -2.306 -8.596 -7.288 1.00 . A A . 7 ALA HB1 1 1 7 3111 1 1 7 ALA HB2 H -3.491 -8.642 -5.961 1.00 . A A . 7 ALA HB2 1 1 7 3112 1 1 7 ALA HB3 H -3.726 -9.664 -7.399 1.00 . A A . 7 ALA HB3 1 1 7 3113 1 1 7 ALA N N -3.490 -7.179 -8.941 1.00 . A A . 7 ALA N 1 1 7 3114 1 1 7 ALA O O -5.386 -6.120 -6.252 1.00 . A A . 7 ALA O 1 1 7 3115 1 1 8 CYS C C -4.556 -3.681 -6.066 1.00 . A A . 8 CYS C 1 1 7 3116 1 1 8 CYS CA C -3.230 -4.413 -5.849 1.00 . A A . 8 CYS CA 1 1 7 3117 1 1 8 CYS CB C -2.027 -3.515 -6.144 1.00 . A A . 8 CYS CB 1 1 7 3118 1 1 8 CYS H H -2.357 -5.802 -7.132 1.00 . A A . 8 CYS H 1 1 7 3119 1 1 8 CYS HA H -3.139 -4.750 -4.817 1.00 . A A . 8 CYS HA 1 1 7 3120 1 1 8 CYS HB2 H -1.579 -3.794 -7.097 1.00 . A A . 8 CYS HB2 1 1 7 3121 1 1 8 CYS HB3 H -2.351 -2.478 -6.236 1.00 . A A . 8 CYS HB3 1 1 7 3122 1 1 8 CYS HG H -1.654 -3.530 -3.801 1.00 . A A . 8 CYS HG 1 1 7 3123 1 1 8 CYS N N -3.226 -5.605 -6.680 1.00 . A A . 8 CYS N 1 1 7 3124 1 1 8 CYS O O -4.728 -2.983 -7.065 1.00 . A A . 8 CYS O 1 1 7 3125 1 1 8 CYS SG S -0.790 -3.666 -4.804 1.00 . A A . 8 CYS SG 1 1 7 3126 1 1 9 PRO C C -6.693 -1.744 -4.834 1.00 . A A . 9 PRO C 1 1 7 3127 1 1 9 PRO CA C -6.788 -3.235 -5.164 1.00 . A A . 9 PRO CA 1 1 7 3128 1 1 9 PRO CB C -7.657 -4.005 -4.184 1.00 . A A . 9 PRO CB 1 1 7 3129 1 1 9 PRO CD C -5.314 -4.688 -3.893 1.00 . A A . 9 PRO CD 1 1 7 3130 1 1 9 PRO CG C -6.696 -4.736 -3.260 1.00 . A A . 9 PRO CG 1 1 7 3131 1 1 9 PRO HA H -7.146 -3.286 -6.096 1.00 . A A . 9 PRO HA 1 1 7 3132 1 1 9 PRO HB2 H -8.303 -3.332 -3.621 1.00 . A A . 9 PRO HB2 1 1 7 3133 1 1 9 PRO HB3 H -8.307 -4.708 -4.706 1.00 . A A . 9 PRO HB3 1 1 7 3134 1 1 9 PRO HD2 H -4.583 -4.250 -3.213 1.00 . A A . 9 PRO HD2 1 1 7 3135 1 1 9 PRO HD3 H -4.958 -5.687 -4.143 1.00 . A A . 9 PRO HD3 1 1 7 3136 1 1 9 PRO HG2 H -6.682 -4.268 -2.276 1.00 . A A . 9 PRO HG2 1 1 7 3137 1 1 9 PRO HG3 H -7.014 -5.769 -3.118 1.00 . A A . 9 PRO HG3 1 1 7 3138 1 1 9 PRO N N -5.483 -3.869 -5.090 1.00 . A A . 9 PRO N 1 1 7 3139 1 1 9 PRO O O -5.608 -1.165 -4.869 1.00 . A A . 9 PRO O 1 1 7 3140 1 1 10 LYS C C -8.292 0.401 -2.714 1.00 . A A . 10 LYS C 1 1 7 3141 1 1 10 LYS CA C -7.902 0.248 -4.185 1.00 . A A . 10 LYS CA 1 1 7 3142 1 1 10 LYS CB C -8.832 0.989 -5.148 1.00 . A A . 10 LYS CB 1 1 7 3143 1 1 10 LYS CD C -11.248 1.709 -5.098 1.00 . A A . 10 LYS CD 1 1 7 3144 1 1 10 LYS CE C -12.702 1.230 -5.072 1.00 . A A . 10 LYS CE 1 1 7 3145 1 1 10 LYS CG C -10.281 0.530 -4.973 1.00 . A A . 10 LYS CG 1 1 7 3146 1 1 10 LYS H H -8.720 -1.643 -4.495 1.00 . A A . 10 LYS H 1 1 7 3147 1 1 10 LYS HA H -6.902 0.659 -4.322 1.00 . A A . 10 LYS HA 1 1 7 3148 1 1 10 LYS HB2 H -8.763 2.062 -4.973 1.00 . A A . 10 LYS HB2 1 1 7 3149 1 1 10 LYS HB3 H -8.513 0.813 -6.175 1.00 . A A . 10 LYS HB3 1 1 7 3150 1 1 10 LYS HD2 H -11.078 2.411 -4.283 1.00 . A A . 10 LYS HD2 1 1 7 3151 1 1 10 LYS HD3 H -11.055 2.245 -6.027 1.00 . A A . 10 LYS HD3 1 1 7 3152 1 1 10 LYS HE2 H -13.013 0.940 -6.075 1.00 . A A . 10 LYS HE2 1 1 7 3153 1 1 10 LYS HE3 H -12.788 0.345 -4.442 1.00 . A A . 10 LYS HE3 1 1 7 3154 1 1 10 LYS HG2 H -10.521 -0.223 -5.724 1.00 . A A . 10 LYS HG2 1 1 7 3155 1 1 10 LYS HG3 H -10.402 0.058 -3.998 1.00 . A A . 10 LYS HG3 1 1 7 3156 1 1 10 LYS HZ1 H -13.843 2.096 -3.615 1.00 . A A . 10 LYS HZ1 1 1 7 3157 1 1 10 LYS HZ2 H -13.111 3.176 -4.598 1.00 . A A . 10 LYS HZ2 1 1 7 3158 1 1 10 LYS HZ3 H -14.414 2.344 -5.124 1.00 . A A . 10 LYS HZ3 1 1 7 3159 1 1 10 LYS N N -7.843 -1.165 -4.521 1.00 . A A . 10 LYS N 1 1 7 3160 1 1 10 LYS NZ N -13.589 2.298 -4.561 1.00 . A A . 10 LYS NZ 1 1 7 3161 1 1 10 LYS O O -8.401 1.518 -2.210 1.00 . A A . 10 LYS O 1 1 7 3162 1 1 11 ARG C C -7.677 -1.163 0.204 1.00 . A A . 11 ARG C 1 1 7 3163 1 1 11 ARG CA C -8.867 -0.743 -0.662 1.00 . A A . 11 ARG CA 1 1 7 3164 1 1 11 ARG CB C -10.036 -1.697 -0.408 1.00 . A A . 11 ARG CB 1 1 7 3165 1 1 11 ARG CD C -10.955 -2.579 -2.584 1.00 . A A . 11 ARG CD 1 1 7 3166 1 1 11 ARG CG C -11.118 -1.535 -1.477 1.00 . A A . 11 ARG CG 1 1 7 3167 1 1 11 ARG CZ C -11.859 -4.689 -1.615 1.00 . A A . 11 ARG CZ 1 1 7 3168 1 1 11 ARG H H -8.401 -1.641 -2.482 1.00 . A A . 11 ARG H 1 1 7 3169 1 1 11 ARG HA H -9.164 0.284 -0.448 1.00 . A A . 11 ARG HA 1 1 7 3170 1 1 11 ARG HB2 H -9.675 -2.726 -0.403 1.00 . A A . 11 ARG HB2 1 1 7 3171 1 1 11 ARG HB3 H -10.461 -1.504 0.577 1.00 . A A . 11 ARG HB3 1 1 7 3172 1 1 11 ARG HD2 H -11.816 -2.549 -3.253 1.00 . A A . 11 ARG HD2 1 1 7 3173 1 1 11 ARG HD3 H -10.076 -2.349 -3.186 1.00 . A A . 11 ARG HD3 1 1 7 3174 1 1 11 ARG HE H -9.900 -4.296 -1.865 1.00 . A A . 11 ARG HE 1 1 7 3175 1 1 11 ARG HG2 H -12.103 -1.634 -1.021 1.00 . A A . 11 ARG HG2 1 1 7 3176 1 1 11 ARG HG3 H -11.064 -0.534 -1.906 1.00 . A A . 11 ARG HG3 1 1 7 3177 1 1 11 ARG HH11 H -13.272 -3.333 -2.161 1.00 . A A . 11 ARG HH11 1 1 7 3178 1 1 11 ARG HH12 H -13.885 -4.805 -1.485 1.00 . A A . 11 ARG HH12 1 1 7 3179 1 1 11 ARG HH21 H -10.708 -6.238 -0.973 1.00 . A A . 11 ARG HH21 1 1 7 3180 1 1 11 ARG HH22 H -12.417 -6.469 -0.805 1.00 . A A . 11 ARG HH22 1 1 7 3181 1 1 11 ARG N N -8.492 -0.737 -2.065 1.00 . A A . 11 ARG N 1 1 7 3182 1 1 11 ARG NE N -10.822 -3.928 -1.992 1.00 . A A . 11 ARG NE 1 1 7 3183 1 1 11 ARG NH1 N -13.111 -4.237 -1.767 1.00 . A A . 11 ARG NH1 1 1 7 3184 1 1 11 ARG NH2 N -11.643 -5.901 -1.086 1.00 . A A . 11 ARG NH2 1 1 7 3185 1 1 11 ARG O O -7.481 -0.631 1.296 1.00 . A A . 11 ARG O 1 1 7 3186 1 1 12 PHE C C -4.642 -1.557 0.439 1.00 . A A . 12 PHE C 1 1 7 3187 1 1 12 PHE CA C -5.750 -2.611 0.396 1.00 . A A . 12 PHE CA 1 1 7 3188 1 1 12 PHE CB C -5.244 -3.833 -0.373 1.00 . A A . 12 PHE CB 1 1 7 3189 1 1 12 PHE CD1 C -4.095 -5.285 1.314 1.00 . A A . 12 PHE CD1 1 1 7 3190 1 1 12 PHE CD2 C -2.771 -4.227 -0.322 1.00 . A A . 12 PHE CD2 1 1 7 3191 1 1 12 PHE CE1 C -2.932 -5.878 1.872 1.00 . A A . 12 PHE CE1 1 1 7 3192 1 1 12 PHE CE2 C -1.608 -4.820 0.236 1.00 . A A . 12 PHE CE2 1 1 7 3193 1 1 12 PHE CG C -3.990 -4.472 0.229 1.00 . A A . 12 PHE CG 1 1 7 3194 1 1 12 PHE CZ C -1.713 -5.633 1.321 1.00 . A A . 12 PHE CZ 1 1 7 3195 1 1 12 PHE H H -7.081 -2.541 -1.204 1.00 . A A . 12 PHE H 1 1 7 3196 1 1 12 PHE HA H -6.067 -2.844 1.412 1.00 . A A . 12 PHE HA 1 1 7 3197 1 1 12 PHE HB2 H -6.037 -4.580 -0.411 1.00 . A A . 12 PHE HB2 1 1 7 3198 1 1 12 PHE HB3 H -5.032 -3.541 -1.401 1.00 . A A . 12 PHE HB3 1 1 7 3199 1 1 12 PHE HD1 H -5.072 -5.481 1.755 1.00 . A A . 12 PHE HD1 1 1 7 3200 1 1 12 PHE HD2 H -2.687 -3.576 -1.192 1.00 . A A . 12 PHE HD2 1 1 7 3201 1 1 12 PHE HE1 H -3.016 -6.529 2.742 1.00 . A A . 12 PHE HE1 1 1 7 3202 1 1 12 PHE HE2 H -0.631 -4.624 -0.206 1.00 . A A . 12 PHE HE2 1 1 7 3203 1 1 12 PHE HZ H -0.820 -6.088 1.750 1.00 . A A . 12 PHE HZ 1 1 7 3204 1 1 12 PHE N N -6.914 -2.113 -0.316 1.00 . A A . 12 PHE N 1 1 7 3205 1 1 12 PHE O O -4.005 -1.362 1.474 1.00 . A A . 12 PHE O 1 1 7 3206 1 1 13 MET C C -3.519 1.111 0.366 1.00 . A A . 13 MET C 1 1 7 3207 1 1 13 MET CA C -3.426 0.126 -0.801 1.00 . A A . 13 MET CA 1 1 7 3208 1 1 13 MET CB C -3.596 0.881 -2.121 1.00 . A A . 13 MET CB 1 1 7 3209 1 1 13 MET CE C -5.472 3.697 -1.989 1.00 . A A . 13 MET CE 1 1 7 3210 1 1 13 MET CG C -5.075 1.036 -2.478 1.00 . A A . 13 MET CG 1 1 7 3211 1 1 13 MET H H -4.967 -1.068 -1.534 1.00 . A A . 13 MET H 1 1 7 3212 1 1 13 MET HA H -2.472 -0.401 -0.766 1.00 . A A . 13 MET HA 1 1 7 3213 1 1 13 MET HB2 H -3.131 1.864 -2.044 1.00 . A A . 13 MET HB2 1 1 7 3214 1 1 13 MET HB3 H -3.080 0.346 -2.919 1.00 . A A . 13 MET HB3 1 1 7 3215 1 1 13 MET HE1 H -5.237 3.175 -1.062 1.00 . A A . 13 MET HE1 1 1 7 3216 1 1 13 MET HE2 H -4.775 4.523 -2.128 1.00 . A A . 13 MET HE2 1 1 7 3217 1 1 13 MET HE3 H -6.490 4.085 -1.940 1.00 . A A . 13 MET HE3 1 1 7 3218 1 1 13 MET HG2 H -5.401 0.193 -3.088 1.00 . A A . 13 MET HG2 1 1 7 3219 1 1 13 MET HG3 H -5.680 1.024 -1.570 1.00 . A A . 13 MET HG3 1 1 7 3220 1 1 13 MET N N -4.445 -0.904 -0.697 1.00 . A A . 13 MET N 1 1 7 3221 1 1 13 MET O O -2.538 1.771 0.706 1.00 . A A . 13 MET O 1 1 7 3222 1 1 13 MET SD S -5.334 2.564 -3.362 1.00 . A A . 13 MET SD 1 1 7 3223 1 1 14 ARG C C -4.382 1.465 3.357 1.00 . A A . 14 ARG C 1 1 7 3224 1 1 14 ARG CA C -4.942 2.072 2.069 1.00 . A A . 14 ARG CA 1 1 7 3225 1 1 14 ARG CB C -6.436 2.349 2.250 1.00 . A A . 14 ARG CB 1 1 7 3226 1 1 14 ARG CD C -8.616 2.655 1.021 1.00 . A A . 14 ARG CD 1 1 7 3227 1 1 14 ARG CG C -7.091 2.716 0.918 1.00 . A A . 14 ARG CG 1 1 7 3228 1 1 14 ARG CZ C -9.212 4.585 -0.438 1.00 . A A . 14 ARG CZ 1 1 7 3229 1 1 14 ARG H H -5.500 0.639 0.664 1.00 . A A . 14 ARG H 1 1 7 3230 1 1 14 ARG HA H -4.416 2.991 1.808 1.00 . A A . 14 ARG HA 1 1 7 3231 1 1 14 ARG HB2 H -6.924 1.469 2.669 1.00 . A A . 14 ARG HB2 1 1 7 3232 1 1 14 ARG HB3 H -6.575 3.160 2.964 1.00 . A A . 14 ARG HB3 1 1 7 3233 1 1 14 ARG HD2 H -8.941 1.619 1.115 1.00 . A A . 14 ARG HD2 1 1 7 3234 1 1 14 ARG HD3 H -8.949 3.175 1.919 1.00 . A A . 14 ARG HD3 1 1 7 3235 1 1 14 ARG HE H -9.688 2.669 -0.831 1.00 . A A . 14 ARG HE 1 1 7 3236 1 1 14 ARG HG2 H -6.783 3.719 0.621 1.00 . A A . 14 ARG HG2 1 1 7 3237 1 1 14 ARG HG3 H -6.748 2.034 0.139 1.00 . A A . 14 ARG HG3 1 1 7 3238 1 1 14 ARG HH11 H -8.176 5.078 1.241 1.00 . A A . 14 ARG HH11 1 1 7 3239 1 1 14 ARG HH12 H -8.597 6.409 0.216 1.00 . A A . 14 ARG HH12 1 1 7 3240 1 1 14 ARG HH21 H -10.244 4.425 -2.183 1.00 . A A . 14 ARG HH21 1 1 7 3241 1 1 14 ARG HH22 H -9.781 6.035 -1.745 1.00 . A A . 14 ARG HH22 1 1 7 3242 1 1 14 ARG N N -4.708 1.179 0.947 1.00 . A A . 14 ARG N 1 1 7 3243 1 1 14 ARG NE N -9.230 3.271 -0.176 1.00 . A A . 14 ARG NE 1 1 7 3244 1 1 14 ARG NH1 N -8.611 5.429 0.411 1.00 . A A . 14 ARG NH1 1 1 7 3245 1 1 14 ARG NH2 N -9.795 5.055 -1.549 1.00 . A A . 14 ARG NH2 1 1 7 3246 1 1 14 ARG O O -3.660 2.129 4.098 1.00 . A A . 14 ARG O 1 1 7 3247 1 1 15 SER C C -2.756 -0.622 4.748 1.00 . A A . 15 SER C 1 1 7 3248 1 1 15 SER CA C -4.281 -0.496 4.770 1.00 . A A . 15 SER CA 1 1 7 3249 1 1 15 SER CB C -4.926 -1.879 4.872 1.00 . A A . 15 SER CB 1 1 7 3250 1 1 15 SER H H -5.326 -0.324 2.976 1.00 . A A . 15 SER H 1 1 7 3251 1 1 15 SER HA H -4.602 0.117 5.612 1.00 . A A . 15 SER HA 1 1 7 3252 1 1 15 SER HB2 H -4.815 -2.402 3.922 1.00 . A A . 15 SER HB2 1 1 7 3253 1 1 15 SER HB3 H -4.402 -2.469 5.623 1.00 . A A . 15 SER HB3 1 1 7 3254 1 1 15 SER HG H -6.416 -1.779 6.204 1.00 . A A . 15 SER HG 1 1 7 3255 1 1 15 SER N N -4.738 0.209 3.584 1.00 . A A . 15 SER N 1 1 7 3256 1 1 15 SER O O -2.145 -0.981 5.753 1.00 . A A . 15 SER O 1 1 7 3257 1 1 15 SER OG O -6.308 -1.800 5.211 1.00 . A A . 15 SER OG 1 1 7 3258 1 1 16 ASP C C -0.178 1.019 3.277 1.00 . A A . 16 ASP C 1 1 7 3259 1 1 16 ASP CA C -0.744 -0.394 3.425 1.00 . A A . 16 ASP CA 1 1 7 3260 1 1 16 ASP CB C -0.375 -1.186 2.169 1.00 . A A . 16 ASP CB 1 1 7 3261 1 1 16 ASP CG C 0.011 -2.645 2.414 1.00 . A A . 16 ASP CG 1 1 7 3262 1 1 16 ASP H H -2.690 -0.028 2.778 1.00 . A A . 16 ASP H 1 1 7 3263 1 1 16 ASP HA H -0.379 -0.899 4.320 1.00 . A A . 16 ASP HA 1 1 7 3264 1 1 16 ASP HB2 H -1.219 -1.159 1.480 1.00 . A A . 16 ASP HB2 1 1 7 3265 1 1 16 ASP HB3 H 0.456 -0.684 1.673 1.00 . A A . 16 ASP HB3 1 1 7 3266 1 1 16 ASP N N -2.186 -0.319 3.591 1.00 . A A . 16 ASP N 1 1 7 3267 1 1 16 ASP O O 1.012 1.241 3.495 1.00 . A A . 16 ASP O 1 1 7 3268 1 1 16 ASP OD1 O -0.920 -3.450 2.634 1.00 . A A . 16 ASP OD1 1 1 7 3269 1 1 16 ASP OD2 O 1.229 -2.925 2.376 1.00 . A A . 16 ASP OD2 1 1 7 3270 1 1 17 ALA C C -0.764 4.058 4.067 1.00 . A A . 17 ALA C 1 1 7 3271 1 1 17 ALA CA C -0.660 3.325 2.728 1.00 . A A . 17 ALA CA 1 1 7 3272 1 1 17 ALA CB C -1.526 3.968 1.643 1.00 . A A . 17 ALA CB 1 1 7 3273 1 1 17 ALA H H -2.024 1.750 2.733 1.00 . A A . 17 ALA H 1 1 7 3274 1 1 17 ALA HA H 0.379 3.332 2.399 1.00 . A A . 17 ALA HA 1 1 7 3275 1 1 17 ALA HB1 H -1.375 5.047 1.650 1.00 . A A . 17 ALA HB1 1 1 7 3276 1 1 17 ALA HB2 H -1.243 3.568 0.669 1.00 . A A . 17 ALA HB2 1 1 7 3277 1 1 17 ALA HB3 H -2.575 3.746 1.836 1.00 . A A . 17 ALA HB3 1 1 7 3278 1 1 17 ALA N N -1.057 1.939 2.908 1.00 . A A . 17 ALA N 1 1 7 3279 1 1 17 ALA O O -0.948 5.274 4.100 1.00 . A A . 17 ALA O 1 1 7 3280 1 1 18 LEU C C -0.212 2.819 7.487 1.00 . A A . 18 LEU C 1 1 7 3281 1 1 18 LEU CA C -0.718 3.850 6.476 1.00 . A A . 18 LEU CA 1 1 7 3282 1 1 18 LEU CB C -2.135 4.351 6.766 1.00 . A A . 18 LEU CB 1 1 7 3283 1 1 18 LEU CD1 C -2.756 1.914 6.962 1.00 . A A . 18 LEU CD1 1 1 7 3284 1 1 18 LEU CD2 C -3.081 3.476 8.934 1.00 . A A . 18 LEU CD2 1 1 7 3285 1 1 18 LEU CG C -3.085 3.339 7.410 1.00 . A A . 18 LEU CG 1 1 7 3286 1 1 18 LEU H H -0.491 2.300 5.103 1.00 . A A . 18 LEU H 1 1 7 3287 1 1 18 LEU HA H -0.058 4.716 6.506 1.00 . A A . 18 LEU HA 1 1 7 3288 1 1 18 LEU HB2 H -2.065 5.221 7.419 1.00 . A A . 18 LEU HB2 1 1 7 3289 1 1 18 LEU HB3 H -2.577 4.690 5.829 1.00 . A A . 18 LEU HB3 1 1 7 3290 1 1 18 LEU HD11 H -3.679 1.345 6.854 1.00 . A A . 18 LEU HD11 1 1 7 3291 1 1 18 LEU HD12 H -2.234 1.946 6.005 1.00 . A A . 18 LEU HD12 1 1 7 3292 1 1 18 LEU HD13 H -2.119 1.437 7.707 1.00 . A A . 18 LEU HD13 1 1 7 3293 1 1 18 LEU HD21 H -2.353 4.232 9.228 1.00 . A A . 18 LEU HD21 1 1 7 3294 1 1 18 LEU HD22 H -4.073 3.774 9.275 1.00 . A A . 18 LEU HD22 1 1 7 3295 1 1 18 LEU HD23 H -2.814 2.520 9.384 1.00 . A A . 18 LEU HD23 1 1 7 3296 1 1 18 LEU HG H -4.098 3.558 7.070 1.00 . A A . 18 LEU HG 1 1 7 3297 1 1 18 LEU N N -0.641 3.288 5.138 1.00 . A A . 18 LEU N 1 1 7 3298 1 1 18 LEU O O -0.656 2.799 8.634 1.00 . A A . 18 LEU O 1 1 7 3299 1 1 19 SER C C 2.761 0.761 7.537 1.00 . A A . 19 SER C 1 1 7 3300 1 1 19 SER CA C 1.281 0.956 7.875 1.00 . A A . 19 SER CA 1 1 7 3301 1 1 19 SER CB C 0.524 -0.364 7.724 1.00 . A A . 19 SER CB 1 1 7 3302 1 1 19 SER H H 1.065 2.010 6.091 1.00 . A A . 19 SER H 1 1 7 3303 1 1 19 SER HA H 1.167 1.326 8.894 1.00 . A A . 19 SER HA 1 1 7 3304 1 1 19 SER HB2 H 0.075 -0.413 6.732 1.00 . A A . 19 SER HB2 1 1 7 3305 1 1 19 SER HB3 H 1.225 -1.195 7.798 1.00 . A A . 19 SER HB3 1 1 7 3306 1 1 19 SER HG H -0.779 -1.469 8.767 1.00 . A A . 19 SER HG 1 1 7 3307 1 1 19 SER N N 0.710 1.987 7.025 1.00 . A A . 19 SER N 1 1 7 3308 1 1 19 SER O O 3.623 0.911 8.401 1.00 . A A . 19 SER O 1 1 7 3309 1 1 19 SER OG O -0.493 -0.513 8.712 1.00 . A A . 19 SER OG 1 1 7 3310 1 1 20 LYS C C 5.116 1.546 5.797 1.00 . A A . 20 LYS C 1 1 7 3311 1 1 20 LYS CA C 4.369 0.211 5.817 1.00 . A A . 20 LYS CA 1 1 7 3312 1 1 20 LYS CB C 4.368 -0.512 4.469 1.00 . A A . 20 LYS CB 1 1 7 3313 1 1 20 LYS CD C 2.802 -0.465 2.492 1.00 . A A . 20 LYS CD 1 1 7 3314 1 1 20 LYS CE C 3.499 -1.729 1.984 1.00 . A A . 20 LYS CE 1 1 7 3315 1 1 20 LYS CG C 3.739 0.358 3.380 1.00 . A A . 20 LYS CG 1 1 7 3316 1 1 20 LYS H H 2.302 0.309 5.582 1.00 . A A . 20 LYS H 1 1 7 3317 1 1 20 LYS HA H 4.857 -0.447 6.536 1.00 . A A . 20 LYS HA 1 1 7 3318 1 1 20 LYS HB2 H 5.390 -0.770 4.189 1.00 . A A . 20 LYS HB2 1 1 7 3319 1 1 20 LYS HB3 H 3.817 -1.449 4.555 1.00 . A A . 20 LYS HB3 1 1 7 3320 1 1 20 LYS HD2 H 1.910 -0.739 3.055 1.00 . A A . 20 LYS HD2 1 1 7 3321 1 1 20 LYS HD3 H 2.473 0.138 1.646 1.00 . A A . 20 LYS HD3 1 1 7 3322 1 1 20 LYS HE2 H 4.565 -1.539 1.861 1.00 . A A . 20 LYS HE2 1 1 7 3323 1 1 20 LYS HE3 H 3.401 -2.526 2.721 1.00 . A A . 20 LYS HE3 1 1 7 3324 1 1 20 LYS HG2 H 3.184 1.177 3.839 1.00 . A A . 20 LYS HG2 1 1 7 3325 1 1 20 LYS HG3 H 4.522 0.807 2.770 1.00 . A A . 20 LYS HG3 1 1 7 3326 1 1 20 LYS HZ1 H 1.940 -1.935 0.679 1.00 . A A . 20 LYS HZ1 1 1 7 3327 1 1 20 LYS HZ2 H 3.378 -1.690 -0.055 1.00 . A A . 20 LYS HZ2 1 1 7 3328 1 1 20 LYS HZ3 H 3.029 -3.148 0.591 1.00 . A A . 20 LYS HZ3 1 1 7 3329 1 1 20 LYS N N 3.009 0.429 6.279 1.00 . A A . 20 LYS N 1 1 7 3330 1 1 20 LYS NZ N 2.914 -2.161 0.695 1.00 . A A . 20 LYS NZ 1 1 7 3331 1 1 20 LYS O O 6.342 1.575 5.693 1.00 . A A . 20 LYS O 1 1 7 3332 1 1 21 HIS C C 4.960 4.502 7.323 1.00 . A A . 21 HIS C 1 1 7 3333 1 1 21 HIS CA C 4.921 3.955 5.894 1.00 . A A . 21 HIS CA 1 1 7 3334 1 1 21 HIS CB C 4.161 4.869 4.931 1.00 . A A . 21 HIS CB 1 1 7 3335 1 1 21 HIS CD2 C 3.352 6.790 6.508 1.00 . A A . 21 HIS CD2 1 1 7 3336 1 1 21 HIS CE1 C 1.206 6.636 6.110 1.00 . A A . 21 HIS CE1 1 1 7 3337 1 1 21 HIS CG C 3.167 5.783 5.606 1.00 . A A . 21 HIS CG 1 1 7 3338 1 1 21 HIS H H 3.351 2.589 5.983 1.00 . A A . 21 HIS H 1 1 7 3339 1 1 21 HIS HA H 5.941 3.856 5.524 1.00 . A A . 21 HIS HA 1 1 7 3340 1 1 21 HIS HB2 H 4.880 5.475 4.379 1.00 . A A . 21 HIS HB2 1 1 7 3341 1 1 21 HIS HB3 H 3.636 4.254 4.200 1.00 . A A . 21 HIS HB3 1 1 7 3342 1 1 21 HIS HD1 H 1.349 5.067 4.760 1.00 . A A . 21 HIS HD1 1 1 7 3343 1 1 21 HIS HD2 H 4.310 7.117 6.911 1.00 . A A . 21 HIS HD2 1 1 7 3344 1 1 21 HIS HE1 H 0.134 6.830 6.148 1.00 . A A . 21 HIS HE1 1 1 7 3345 1 1 21 HIS HE2 H 1.999 8.020 7.489 1.00 . A A . 21 HIS HE2 1 1 7 3346 1 1 21 HIS N N 4.347 2.620 5.899 1.00 . A A . 21 HIS N 1 1 7 3347 1 1 21 HIS ND1 N 1.804 5.710 5.376 1.00 . A A . 21 HIS ND1 1 1 7 3348 1 1 21 HIS NE2 N 2.166 7.305 6.810 1.00 . A A . 21 HIS NE2 1 1 7 3349 1 1 21 HIS O O 5.618 5.507 7.588 1.00 . A A . 21 HIS O 1 1 7 3350 1 1 22 ILE C C 4.992 3.225 10.445 1.00 . A A . 22 ILE C 1 1 7 3351 1 1 22 ILE CA C 4.195 4.219 9.599 1.00 . A A . 22 ILE CA 1 1 7 3352 1 1 22 ILE CB C 2.743 4.387 10.053 1.00 . A A . 22 ILE CB 1 1 7 3353 1 1 22 ILE CD1 C 2.059 2.743 11.839 1.00 . A A . 22 ILE CD1 1 1 7 3354 1 1 22 ILE CG1 C 2.097 3.029 10.336 1.00 . A A . 22 ILE CG1 1 1 7 3355 1 1 22 ILE CG2 C 1.941 5.201 9.036 1.00 . A A . 22 ILE CG2 1 1 7 3356 1 1 22 ILE H H 3.717 2.999 7.980 1.00 . A A . 22 ILE H 1 1 7 3357 1 1 22 ILE HA H 4.671 5.197 9.675 1.00 . A A . 22 ILE HA 1 1 7 3358 1 1 22 ILE HB H 2.740 4.946 10.988 1.00 . A A . 22 ILE HB 1 1 7 3359 1 1 22 ILE HD11 H 1.703 1.727 12.006 1.00 . A A . 22 ILE HD11 1 1 7 3360 1 1 22 ILE HD12 H 3.060 2.851 12.255 1.00 . A A . 22 ILE HD12 1 1 7 3361 1 1 22 ILE HD13 H 1.385 3.449 12.326 1.00 . A A . 22 ILE HD13 1 1 7 3362 1 1 22 ILE HG12 H 1.085 3.013 9.933 1.00 . A A . 22 ILE HG12 1 1 7 3363 1 1 22 ILE HG13 H 2.655 2.243 9.827 1.00 . A A . 22 ILE HG13 1 1 7 3364 1 1 22 ILE HG21 H 1.765 4.598 8.145 1.00 . A A . 22 ILE HG21 1 1 7 3365 1 1 22 ILE HG22 H 0.986 5.491 9.473 1.00 . A A . 22 ILE HG22 1 1 7 3366 1 1 22 ILE HG23 H 2.502 6.096 8.764 1.00 . A A . 22 ILE HG23 1 1 7 3367 1 1 22 ILE N N 4.249 3.815 8.205 1.00 . A A . 22 ILE N 1 1 7 3368 1 1 22 ILE O O 5.364 3.526 11.578 1.00 . A A . 22 ILE O 1 1 7 3369 1 1 23 LYS C C 7.468 1.173 10.232 1.00 . A A . 23 LYS C 1 1 7 3370 1 1 23 LYS CA C 5.979 1.019 10.548 1.00 . A A . 23 LYS CA 1 1 7 3371 1 1 23 LYS CB C 5.416 -0.361 10.202 1.00 . A A . 23 LYS CB 1 1 7 3372 1 1 23 LYS CD C 4.566 -0.898 12.515 1.00 . A A . 23 LYS CD 1 1 7 3373 1 1 23 LYS CE C 3.698 -0.045 13.443 1.00 . A A . 23 LYS CE 1 1 7 3374 1 1 23 LYS CG C 4.183 -0.679 11.050 1.00 . A A . 23 LYS CG 1 1 7 3375 1 1 23 LYS H H 4.926 1.822 8.940 1.00 . A A . 23 LYS H 1 1 7 3376 1 1 23 LYS HA H 5.836 1.166 11.619 1.00 . A A . 23 LYS HA 1 1 7 3377 1 1 23 LYS HB2 H 5.154 -0.397 9.145 1.00 . A A . 23 LYS HB2 1 1 7 3378 1 1 23 LYS HB3 H 6.180 -1.121 10.366 1.00 . A A . 23 LYS HB3 1 1 7 3379 1 1 23 LYS HD2 H 4.452 -1.951 12.771 1.00 . A A . 23 LYS HD2 1 1 7 3380 1 1 23 LYS HD3 H 5.616 -0.646 12.662 1.00 . A A . 23 LYS HD3 1 1 7 3381 1 1 23 LYS HE2 H 3.508 0.925 12.982 1.00 . A A . 23 LYS HE2 1 1 7 3382 1 1 23 LYS HE3 H 2.730 -0.524 13.587 1.00 . A A . 23 LYS HE3 1 1 7 3383 1 1 23 LYS HG2 H 3.466 0.139 10.977 1.00 . A A . 23 LYS HG2 1 1 7 3384 1 1 23 LYS HG3 H 3.690 -1.570 10.662 1.00 . A A . 23 LYS HG3 1 1 7 3385 1 1 23 LYS HZ1 H 5.356 0.164 14.619 1.00 . A A . 23 LYS HZ1 1 1 7 3386 1 1 23 LYS HZ2 H 4.064 1.004 15.158 1.00 . A A . 23 LYS HZ2 1 1 7 3387 1 1 23 LYS HZ3 H 4.126 -0.615 15.358 1.00 . A A . 23 LYS HZ3 1 1 7 3388 1 1 23 LYS N N 5.232 2.060 9.862 1.00 . A A . 23 LYS N 1 1 7 3389 1 1 23 LYS NZ N 4.365 0.142 14.750 1.00 . A A . 23 LYS NZ 1 1 7 3390 1 1 23 LYS O O 8.247 0.241 10.426 1.00 . A A . 23 LYS O 1 1 7 3391 1 1 24 THR C C 9.346 4.099 8.955 1.00 . A A . 24 THR C 1 1 7 3392 1 1 24 THR CA C 9.200 2.644 9.405 1.00 . A A . 24 THR CA 1 1 7 3393 1 1 24 THR CB C 9.643 1.633 8.346 1.00 . A A . 24 THR CB 1 1 7 3394 1 1 24 THR CG2 C 9.055 1.935 6.966 1.00 . A A . 24 THR CG2 1 1 7 3395 1 1 24 THR H H 7.179 3.109 9.595 1.00 . A A . 24 THR H 1 1 7 3396 1 1 24 THR HA H 9.810 2.524 10.300 1.00 . A A . 24 THR HA 1 1 7 3397 1 1 24 THR HB H 9.407 0.615 8.656 1.00 . A A . 24 THR HB 1 1 7 3398 1 1 24 THR HG1 H 11.538 1.017 8.157 1.00 . A A . 24 THR HG1 1 1 7 3399 1 1 24 THR HG21 H 9.238 1.091 6.300 1.00 . A A . 24 THR HG21 1 1 7 3400 1 1 24 THR HG22 H 7.981 2.100 7.057 1.00 . A A . 24 THR HG22 1 1 7 3401 1 1 24 THR HG23 H 9.527 2.829 6.558 1.00 . A A . 24 THR HG23 1 1 7 3402 1 1 24 THR N N 7.819 2.356 9.750 1.00 . A A . 24 THR N 1 1 7 3403 1 1 24 THR O O 8.815 4.487 7.915 1.00 . A A . 24 THR O 1 1 7 3404 1 1 24 THR OG1 O 11.038 1.882 8.190 1.00 . A A . 24 THR OG1 1 1 7 3405 1 1 25 ALA C C 11.621 6.423 8.722 1.00 . A A . 25 ALA C 1 1 7 3406 1 1 25 ALA CA C 10.289 6.269 9.458 1.00 . A A . 25 ALA CA 1 1 7 3407 1 1 25 ALA CB C 10.239 7.084 10.752 1.00 . A A . 25 ALA CB 1 1 7 3408 1 1 25 ALA H H 10.495 4.542 10.605 1.00 . A A . 25 ALA H 1 1 7 3409 1 1 25 ALA HA H 9.481 6.599 8.804 1.00 . A A . 25 ALA HA 1 1 7 3410 1 1 25 ALA HB1 H 11.050 6.771 11.410 1.00 . A A . 25 ALA HB1 1 1 7 3411 1 1 25 ALA HB2 H 10.348 8.143 10.519 1.00 . A A . 25 ALA HB2 1 1 7 3412 1 1 25 ALA HB3 H 9.284 6.918 11.250 1.00 . A A . 25 ALA HB3 1 1 7 3413 1 1 25 ALA N N 10.067 4.865 9.761 1.00 . A A . 25 ALA N 1 1 7 3414 1 1 25 ALA O O 12.599 6.900 9.296 1.00 . A A . 25 ALA O 1 1 7 3415 1 1 26 PHE C C 12.484 5.865 5.167 1.00 . A A . 26 PHE C 1 1 7 3416 1 1 26 PHE CA C 12.813 6.097 6.643 1.00 . A A . 26 PHE CA 1 1 7 3417 1 1 26 PHE CB C 13.763 4.998 7.121 1.00 . A A . 26 PHE CB 1 1 7 3418 1 1 26 PHE CD1 C 12.116 3.377 6.155 1.00 . A A . 26 PHE CD1 1 1 7 3419 1 1 26 PHE CD2 C 14.200 2.544 6.872 1.00 . A A . 26 PHE CD2 1 1 7 3420 1 1 26 PHE CE1 C 11.728 2.068 5.765 1.00 . A A . 26 PHE CE1 1 1 7 3421 1 1 26 PHE CE2 C 13.812 1.236 6.482 1.00 . A A . 26 PHE CE2 1 1 7 3422 1 1 26 PHE CG C 13.344 3.587 6.701 1.00 . A A . 26 PHE CG 1 1 7 3423 1 1 26 PHE CZ C 12.584 1.025 5.937 1.00 . A A . 26 PHE CZ 1 1 7 3424 1 1 26 PHE H H 10.817 5.624 7.004 1.00 . A A . 26 PHE H 1 1 7 3425 1 1 26 PHE HA H 13.219 7.101 6.769 1.00 . A A . 26 PHE HA 1 1 7 3426 1 1 26 PHE HB2 H 14.761 5.200 6.732 1.00 . A A . 26 PHE HB2 1 1 7 3427 1 1 26 PHE HB3 H 13.830 5.037 8.208 1.00 . A A . 26 PHE HB3 1 1 7 3428 1 1 26 PHE HD1 H 11.431 4.213 6.018 1.00 . A A . 26 PHE HD1 1 1 7 3429 1 1 26 PHE HD2 H 15.184 2.713 7.309 1.00 . A A . 26 PHE HD2 1 1 7 3430 1 1 26 PHE HE1 H 10.744 1.899 5.328 1.00 . A A . 26 PHE HE1 1 1 7 3431 1 1 26 PHE HE2 H 14.497 0.400 6.620 1.00 . A A . 26 PHE HE2 1 1 7 3432 1 1 26 PHE HZ H 12.285 0.020 5.638 1.00 . A A . 26 PHE HZ 1 1 7 3433 1 1 26 PHE N N 11.617 6.011 7.463 1.00 . A A . 26 PHE N 1 1 7 3434 1 1 26 PHE O O 11.326 5.961 4.763 1.00 . A A . 26 PHE O 1 1 7 3435 1 1 27 ILE C C 14.006 3.977 2.621 1.00 . A A . 27 ILE C 1 1 7 3436 1 1 27 ILE CA C 13.359 5.316 2.980 1.00 . A A . 27 ILE CA 1 1 7 3437 1 1 27 ILE CB C 13.895 6.496 2.166 1.00 . A A . 27 ILE CB 1 1 7 3438 1 1 27 ILE CD1 C 13.255 7.055 -0.208 1.00 . A A . 27 ILE CD1 1 1 7 3439 1 1 27 ILE CG1 C 14.059 6.116 0.693 1.00 . A A . 27 ILE CG1 1 1 7 3440 1 1 27 ILE CG2 C 15.195 7.031 2.768 1.00 . A A . 27 ILE CG2 1 1 7 3441 1 1 27 ILE H H 14.461 5.487 4.739 1.00 . A A . 27 ILE H 1 1 7 3442 1 1 27 ILE HA H 12.289 5.248 2.782 1.00 . A A . 27 ILE HA 1 1 7 3443 1 1 27 ILE HB H 13.163 7.302 2.211 1.00 . A A . 27 ILE HB 1 1 7 3444 1 1 27 ILE HD11 H 13.793 7.996 -0.325 1.00 . A A . 27 ILE HD11 1 1 7 3445 1 1 27 ILE HD12 H 13.117 6.592 -1.185 1.00 . A A . 27 ILE HD12 1 1 7 3446 1 1 27 ILE HD13 H 12.281 7.247 0.244 1.00 . A A . 27 ILE HD13 1 1 7 3447 1 1 27 ILE HG12 H 15.113 6.157 0.419 1.00 . A A . 27 ILE HG12 1 1 7 3448 1 1 27 ILE HG13 H 13.729 5.088 0.540 1.00 . A A . 27 ILE HG13 1 1 7 3449 1 1 27 ILE HG21 H 15.700 6.233 3.312 1.00 . A A . 27 ILE HG21 1 1 7 3450 1 1 27 ILE HG22 H 15.844 7.393 1.970 1.00 . A A . 27 ILE HG22 1 1 7 3451 1 1 27 ILE HG23 H 14.969 7.850 3.451 1.00 . A A . 27 ILE HG23 1 1 7 3452 1 1 27 ILE N N 13.523 5.563 4.403 1.00 . A A . 27 ILE N 1 1 7 3453 1 1 27 ILE O O 15.222 3.896 2.455 1.00 . A A . 27 ILE O 1 1 7 3454 1 1 28 VAL C C 12.441 0.728 1.865 1.00 . A A . 28 VAL C 1 1 7 3455 1 1 28 VAL CA C 13.638 1.628 2.177 1.00 . A A . 28 VAL CA 1 1 7 3456 1 1 28 VAL CB C 14.516 1.085 3.306 1.00 . A A . 28 VAL CB 1 1 7 3457 1 1 28 VAL CG1 C 14.434 -0.441 3.379 1.00 . A A . 28 VAL CG1 1 1 7 3458 1 1 28 VAL CG2 C 15.965 1.549 3.146 1.00 . A A . 28 VAL CG2 1 1 7 3459 1 1 28 VAL H H 12.176 3.034 2.650 1.00 . A A . 28 VAL H 1 1 7 3460 1 1 28 VAL HA H 14.255 1.715 1.282 1.00 . A A . 28 VAL HA 1 1 7 3461 1 1 28 VAL HB H 14.138 1.486 4.247 1.00 . A A . 28 VAL HB 1 1 7 3462 1 1 28 VAL HG11 H 15.212 -0.815 4.044 1.00 . A A . 28 VAL HG11 1 1 7 3463 1 1 28 VAL HG12 H 13.457 -0.734 3.762 1.00 . A A . 28 VAL HG12 1 1 7 3464 1 1 28 VAL HG13 H 14.574 -0.860 2.383 1.00 . A A . 28 VAL HG13 1 1 7 3465 1 1 28 VAL HG21 H 16.166 2.362 3.845 1.00 . A A . 28 VAL HG21 1 1 7 3466 1 1 28 VAL HG22 H 16.638 0.717 3.354 1.00 . A A . 28 VAL HG22 1 1 7 3467 1 1 28 VAL HG23 H 16.124 1.900 2.126 1.00 . A A . 28 VAL HG23 1 1 7 3468 1 1 28 VAL N N 13.164 2.960 2.513 1.00 . A A . 28 VAL N 1 1 7 3469 1 1 28 VAL O O 12.386 0.109 0.803 1.00 . A A . 28 VAL O 1 1 7 3470 1 1 29 VAL C C 9.082 0.724 2.938 1.00 . A A . 29 VAL C 1 1 7 3471 1 1 29 VAL CA C 10.319 -0.129 2.648 1.00 . A A . 29 VAL CA 1 1 7 3472 1 1 29 VAL CB C 10.410 -1.372 3.535 1.00 . A A . 29 VAL CB 1 1 7 3473 1 1 29 VAL CG1 C 9.214 -1.456 4.485 1.00 . A A . 29 VAL CG1 1 1 7 3474 1 1 29 VAL CG2 C 10.529 -2.641 2.689 1.00 . A A . 29 VAL CG2 1 1 7 3475 1 1 29 VAL H H 11.565 1.192 3.669 1.00 . A A . 29 VAL H 1 1 7 3476 1 1 29 VAL HA H 10.283 -0.457 1.609 1.00 . A A . 29 VAL HA 1 1 7 3477 1 1 29 VAL HB H 11.313 -1.287 4.140 1.00 . A A . 29 VAL HB 1 1 7 3478 1 1 29 VAL HG11 H 9.396 -2.229 5.231 1.00 . A A . 29 VAL HG11 1 1 7 3479 1 1 29 VAL HG12 H 9.076 -0.496 4.982 1.00 . A A . 29 VAL HG12 1 1 7 3480 1 1 29 VAL HG13 H 8.316 -1.703 3.918 1.00 . A A . 29 VAL HG13 1 1 7 3481 1 1 29 VAL HG21 H 9.558 -3.134 2.634 1.00 . A A . 29 VAL HG21 1 1 7 3482 1 1 29 VAL HG22 H 10.862 -2.379 1.685 1.00 . A A . 29 VAL HG22 1 1 7 3483 1 1 29 VAL HG23 H 11.253 -3.316 3.147 1.00 . A A . 29 VAL HG23 1 1 7 3484 1 1 29 VAL N N 11.512 0.685 2.809 1.00 . A A . 29 VAL N 1 1 7 3485 1 1 29 VAL O O 7.962 0.217 2.942 1.00 . A A . 29 VAL O 1 1 7 3486 1 1 30 ALA C C 7.646 3.435 2.151 1.00 . A A . 30 ALA C 1 1 7 3487 1 1 30 ALA CA C 8.248 2.932 3.465 1.00 . A A . 30 ALA CA 1 1 7 3488 1 1 30 ALA CB C 8.776 4.072 4.338 1.00 . A A . 30 ALA CB 1 1 7 3489 1 1 30 ALA H H 10.242 2.409 3.169 1.00 . A A . 30 ALA H 1 1 7 3490 1 1 30 ALA HA H 7.484 2.389 4.021 1.00 . A A . 30 ALA HA 1 1 7 3491 1 1 30 ALA HB1 H 8.593 5.025 3.842 1.00 . A A . 30 ALA HB1 1 1 7 3492 1 1 30 ALA HB2 H 8.264 4.059 5.301 1.00 . A A . 30 ALA HB2 1 1 7 3493 1 1 30 ALA HB3 H 9.847 3.944 4.495 1.00 . A A . 30 ALA HB3 1 1 7 3494 1 1 30 ALA N N 9.328 2.004 3.174 1.00 . A A . 30 ALA N 1 1 7 3495 1 1 30 ALA O O 8.274 4.211 1.433 1.00 . A A . 30 ALA O 1 1 7 3496 1 1 31 LEU C C 5.609 4.889 0.626 1.00 . A A . 31 LEU C 1 1 7 3497 1 1 31 LEU CA C 5.741 3.365 0.662 1.00 . A A . 31 LEU CA 1 1 7 3498 1 1 31 LEU CB C 4.405 2.629 0.547 1.00 . A A . 31 LEU CB 1 1 7 3499 1 1 31 LEU CD1 C 4.565 1.783 -1.823 1.00 . A A . 31 LEU CD1 1 1 7 3500 1 1 31 LEU CD2 C 5.451 0.379 0.096 1.00 . A A . 31 LEU CD2 1 1 7 3501 1 1 31 LEU CG C 4.396 1.392 -0.354 1.00 . A A . 31 LEU CG 1 1 7 3502 1 1 31 LEU H H 5.931 2.341 2.466 1.00 . A A . 31 LEU H 1 1 7 3503 1 1 31 LEU HA H 6.356 3.051 -0.181 1.00 . A A . 31 LEU HA 1 1 7 3504 1 1 31 LEU HB2 H 4.090 2.329 1.547 1.00 . A A . 31 LEU HB2 1 1 7 3505 1 1 31 LEU HB3 H 3.658 3.330 0.175 1.00 . A A . 31 LEU HB3 1 1 7 3506 1 1 31 LEU HD11 H 4.348 2.844 -1.944 1.00 . A A . 31 LEU HD11 1 1 7 3507 1 1 31 LEU HD12 H 5.590 1.584 -2.136 1.00 . A A . 31 LEU HD12 1 1 7 3508 1 1 31 LEU HD13 H 3.878 1.199 -2.436 1.00 . A A . 31 LEU HD13 1 1 7 3509 1 1 31 LEU HD21 H 6.320 0.446 -0.559 1.00 . A A . 31 LEU HD21 1 1 7 3510 1 1 31 LEU HD22 H 5.750 0.597 1.121 1.00 . A A . 31 LEU HD22 1 1 7 3511 1 1 31 LEU HD23 H 5.034 -0.626 0.044 1.00 . A A . 31 LEU HD23 1 1 7 3512 1 1 31 LEU HG H 3.424 0.908 -0.259 1.00 . A A . 31 LEU HG 1 1 7 3513 1 1 31 LEU N N 6.435 2.972 1.877 1.00 . A A . 31 LEU N 1 1 7 3514 1 1 31 LEU O O 6.377 5.566 -0.057 1.00 . A A . 31 LEU O 1 1 7 3515 1 1 32 GLY C C 5.459 7.518 2.269 1.00 . A A . 32 GLY C 1 1 7 3516 1 1 32 GLY CA C 4.388 6.816 1.431 1.00 . A A . 32 GLY CA 1 1 7 3517 1 1 32 GLY H H 4.011 4.827 1.921 1.00 . A A . 32 GLY H 1 1 7 3518 1 1 32 GLY HA2 H 4.381 7.230 0.422 1.00 . A A . 32 GLY HA2 1 1 7 3519 1 1 32 GLY HA3 H 3.404 7.003 1.860 1.00 . A A . 32 GLY HA3 1 1 7 3520 1 1 32 GLY N N 4.631 5.384 1.369 1.00 . A A . 32 GLY N 1 1 7 3521 1 1 32 GLY O O 6.568 7.007 2.419 1.00 . A A . 32 GLY O 1 1 8 3522 1 1 1 TYR C C -3.666 -9.563 -13.113 1.00 . A A . 1 TYR C 1 1 8 3523 1 1 1 TYR CA C -3.370 -11.064 -13.063 1.00 . A A . 1 TYR CA 1 1 8 3524 1 1 1 TYR CB C -1.872 -11.269 -12.830 1.00 . A A . 1 TYR CB 1 1 8 3525 1 1 1 TYR CD1 C -1.960 -11.238 -10.311 1.00 . A A . 1 TYR CD1 1 1 8 3526 1 1 1 TYR CD2 C -0.352 -9.849 -11.405 1.00 . A A . 1 TYR CD2 1 1 8 3527 1 1 1 TYR CE1 C -1.496 -10.768 -9.031 1.00 . A A . 1 TYR CE1 1 1 8 3528 1 1 1 TYR CE2 C 0.112 -9.378 -10.126 1.00 . A A . 1 TYR CE2 1 1 8 3529 1 1 1 TYR CG C -1.378 -10.769 -11.471 1.00 . A A . 1 TYR CG 1 1 8 3530 1 1 1 TYR CZ C -0.483 -9.861 -9.002 1.00 . A A . 1 TYR CZ 1 1 8 3531 1 1 1 TYR H1 H -2.905 -12.193 -14.750 1.00 . A A . 1 TYR H1 1 1 8 3532 1 1 1 TYR HA H -4.000 -11.526 -12.302 1.00 . A A . 1 TYR HA 1 1 8 3533 1 1 1 TYR HB2 H -1.642 -12.330 -12.921 1.00 . A A . 1 TYR HB2 1 1 8 3534 1 1 1 TYR HB3 H -1.319 -10.755 -13.617 1.00 . A A . 1 TYR HB3 1 1 8 3535 1 1 1 TYR HD1 H -2.771 -11.965 -10.363 1.00 . A A . 1 TYR HD1 1 1 8 3536 1 1 1 TYR HD2 H 0.107 -9.478 -12.321 1.00 . A A . 1 TYR HD2 1 1 8 3537 1 1 1 TYR HE1 H -1.946 -11.130 -8.107 1.00 . A A . 1 TYR HE1 1 1 8 3538 1 1 1 TYR HE2 H 0.922 -8.652 -10.059 1.00 . A A . 1 TYR HE2 1 1 8 3539 1 1 1 TYR HH H -0.660 -9.730 -7.070 1.00 . A A . 1 TYR HH 1 1 8 3540 1 1 1 TYR N N -3.668 -11.696 -14.336 1.00 . A A . 1 TYR N 1 1 8 3541 1 1 1 TYR O O -3.044 -8.830 -13.880 1.00 . A A . 1 TYR O 1 1 8 3542 1 1 1 TYR OH O -0.044 -9.417 -7.794 1.00 . A A . 1 TYR OH 1 1 8 3543 1 1 2 ALA C C -5.128 -7.325 -10.762 1.00 . A A . 2 ALA C 1 1 8 3544 1 1 2 ALA CA C -5.001 -7.752 -12.225 1.00 . A A . 2 ALA CA 1 1 8 3545 1 1 2 ALA CB C -6.300 -7.547 -13.007 1.00 . A A . 2 ALA CB 1 1 8 3546 1 1 2 ALA H H -5.116 -9.755 -11.664 1.00 . A A . 2 ALA H 1 1 8 3547 1 1 2 ALA HA H -4.210 -7.170 -12.698 1.00 . A A . 2 ALA HA 1 1 8 3548 1 1 2 ALA HB1 H -7.142 -7.897 -12.411 1.00 . A A . 2 ALA HB1 1 1 8 3549 1 1 2 ALA HB2 H -6.427 -6.487 -13.228 1.00 . A A . 2 ALA HB2 1 1 8 3550 1 1 2 ALA HB3 H -6.255 -8.110 -13.939 1.00 . A A . 2 ALA HB3 1 1 8 3551 1 1 2 ALA N N -4.615 -9.152 -12.285 1.00 . A A . 2 ALA N 1 1 8 3552 1 1 2 ALA O O -5.976 -6.501 -10.423 1.00 . A A . 2 ALA O 1 1 8 3553 1 1 3 PHE C C -4.251 -6.082 -8.283 1.00 . A A . 3 PHE C 1 1 8 3554 1 1 3 PHE CA C -4.277 -7.594 -8.513 1.00 . A A . 3 PHE CA 1 1 8 3555 1 1 3 PHE CB C -3.011 -8.211 -7.915 1.00 . A A . 3 PHE CB 1 1 8 3556 1 1 3 PHE CD1 C -3.078 -7.510 -5.512 1.00 . A A . 3 PHE CD1 1 1 8 3557 1 1 3 PHE CD2 C -1.325 -6.692 -6.857 1.00 . A A . 3 PHE CD2 1 1 8 3558 1 1 3 PHE CE1 C -2.558 -6.796 -4.400 1.00 . A A . 3 PHE CE1 1 1 8 3559 1 1 3 PHE CE2 C -0.805 -5.978 -5.744 1.00 . A A . 3 PHE CE2 1 1 8 3560 1 1 3 PHE CG C -2.451 -7.442 -6.717 1.00 . A A . 3 PHE CG 1 1 8 3561 1 1 3 PHE CZ C -1.432 -6.046 -4.539 1.00 . A A . 3 PHE CZ 1 1 8 3562 1 1 3 PHE H H -3.585 -8.574 -10.216 1.00 . A A . 3 PHE H 1 1 8 3563 1 1 3 PHE HA H -5.195 -8.007 -8.095 1.00 . A A . 3 PHE HA 1 1 8 3564 1 1 3 PHE HB2 H -3.228 -9.234 -7.609 1.00 . A A . 3 PHE HB2 1 1 8 3565 1 1 3 PHE HB3 H -2.246 -8.265 -8.689 1.00 . A A . 3 PHE HB3 1 1 8 3566 1 1 3 PHE HD1 H -3.980 -8.111 -5.400 1.00 . A A . 3 PHE HD1 1 1 8 3567 1 1 3 PHE HD2 H -0.823 -6.637 -7.822 1.00 . A A . 3 PHE HD2 1 1 8 3568 1 1 3 PHE HE1 H -3.061 -6.851 -3.434 1.00 . A A . 3 PHE HE1 1 1 8 3569 1 1 3 PHE HE2 H 0.097 -5.377 -5.856 1.00 . A A . 3 PHE HE2 1 1 8 3570 1 1 3 PHE HZ H -1.033 -5.498 -3.686 1.00 . A A . 3 PHE HZ 1 1 8 3571 1 1 3 PHE N N -4.272 -7.905 -9.933 1.00 . A A . 3 PHE N 1 1 8 3572 1 1 3 PHE O O -5.214 -5.511 -7.772 1.00 . A A . 3 PHE O 1 1 8 3573 1 1 4 ALA C C -1.935 -3.537 -9.516 1.00 . A A . 4 ALA C 1 1 8 3574 1 1 4 ALA CA C -2.975 -4.040 -8.513 1.00 . A A . 4 ALA CA 1 1 8 3575 1 1 4 ALA CB C -2.590 -3.726 -7.066 1.00 . A A . 4 ALA CB 1 1 8 3576 1 1 4 ALA H H -2.361 -5.946 -9.086 1.00 . A A . 4 ALA H 1 1 8 3577 1 1 4 ALA HA H -3.934 -3.570 -8.731 1.00 . A A . 4 ALA HA 1 1 8 3578 1 1 4 ALA HB1 H -2.791 -2.676 -6.857 1.00 . A A . 4 ALA HB1 1 1 8 3579 1 1 4 ALA HB2 H -3.175 -4.350 -6.391 1.00 . A A . 4 ALA HB2 1 1 8 3580 1 1 4 ALA HB3 H -1.529 -3.929 -6.921 1.00 . A A . 4 ALA HB3 1 1 8 3581 1 1 4 ALA N N -3.139 -5.475 -8.671 1.00 . A A . 4 ALA N 1 1 8 3582 1 1 4 ALA O O -1.293 -2.512 -9.288 1.00 . A A . 4 ALA O 1 1 8 3583 1 1 5 CYS C C -1.259 -2.568 -12.224 1.00 . A A . 5 CYS C 1 1 8 3584 1 1 5 CYS CA C -0.849 -3.922 -11.642 1.00 . A A . 5 CYS CA 1 1 8 3585 1 1 5 CYS CB C -0.757 -5.002 -12.722 1.00 . A A . 5 CYS CB 1 1 8 3586 1 1 5 CYS H H -2.326 -5.112 -10.782 1.00 . A A . 5 CYS H 1 1 8 3587 1 1 5 CYS HA H 0.128 -3.858 -11.163 1.00 . A A . 5 CYS HA 1 1 8 3588 1 1 5 CYS HB2 H -1.613 -5.673 -12.652 1.00 . A A . 5 CYS HB2 1 1 8 3589 1 1 5 CYS HB3 H -0.791 -4.544 -13.711 1.00 . A A . 5 CYS HB3 1 1 8 3590 1 1 5 CYS HG H 0.335 -6.784 -11.599 1.00 . A A . 5 CYS HG 1 1 8 3591 1 1 5 CYS N N -1.800 -4.280 -10.604 1.00 . A A . 5 CYS N 1 1 8 3592 1 1 5 CYS O O -0.447 -1.647 -12.295 1.00 . A A . 5 CYS O 1 1 8 3593 1 1 5 CYS SG S 0.796 -5.951 -12.528 1.00 . A A . 5 CYS SG 1 1 8 3594 1 1 6 PRO C C -3.324 -0.209 -12.123 1.00 . A A . 6 PRO C 1 1 8 3595 1 1 6 PRO CA C -3.080 -1.260 -13.208 1.00 . A A . 6 PRO CA 1 1 8 3596 1 1 6 PRO CB C -4.353 -1.677 -13.927 1.00 . A A . 6 PRO CB 1 1 8 3597 1 1 6 PRO CD C -3.543 -3.557 -12.567 1.00 . A A . 6 PRO CD 1 1 8 3598 1 1 6 PRO CG C -4.738 -3.027 -13.343 1.00 . A A . 6 PRO CG 1 1 8 3599 1 1 6 PRO HA H -2.415 -0.856 -13.836 1.00 . A A . 6 PRO HA 1 1 8 3600 1 1 6 PRO HB2 H -5.146 -0.946 -13.774 1.00 . A A . 6 PRO HB2 1 1 8 3601 1 1 6 PRO HB3 H -4.189 -1.749 -15.002 1.00 . A A . 6 PRO HB3 1 1 8 3602 1 1 6 PRO HD2 H -3.811 -3.783 -11.534 1.00 . A A . 6 PRO HD2 1 1 8 3603 1 1 6 PRO HD3 H -3.162 -4.479 -13.006 1.00 . A A . 6 PRO HD3 1 1 8 3604 1 1 6 PRO HG2 H -5.605 -2.928 -12.690 1.00 . A A . 6 PRO HG2 1 1 8 3605 1 1 6 PRO HG3 H -5.015 -3.721 -14.137 1.00 . A A . 6 PRO HG3 1 1 8 3606 1 1 6 PRO N N -2.553 -2.487 -12.635 1.00 . A A . 6 PRO N 1 1 8 3607 1 1 6 PRO O O -2.455 0.618 -11.849 1.00 . A A . 6 PRO O 1 1 8 3608 1 1 7 ALA C C -5.298 -0.117 -9.239 1.00 . A A . 7 ALA C 1 1 8 3609 1 1 7 ALA CA C -4.878 0.661 -10.487 1.00 . A A . 7 ALA CA 1 1 8 3610 1 1 7 ALA CB C -5.983 1.588 -10.995 1.00 . A A . 7 ALA CB 1 1 8 3611 1 1 7 ALA H H -5.210 -0.950 -11.765 1.00 . A A . 7 ALA H 1 1 8 3612 1 1 7 ALA HA H -3.998 1.260 -10.252 1.00 . A A . 7 ALA HA 1 1 8 3613 1 1 7 ALA HB1 H -5.882 2.567 -10.525 1.00 . A A . 7 ALA HB1 1 1 8 3614 1 1 7 ALA HB2 H -5.900 1.695 -12.077 1.00 . A A . 7 ALA HB2 1 1 8 3615 1 1 7 ALA HB3 H -6.956 1.165 -10.746 1.00 . A A . 7 ALA HB3 1 1 8 3616 1 1 7 ALA N N -4.509 -0.275 -11.536 1.00 . A A . 7 ALA N 1 1 8 3617 1 1 7 ALA O O -5.120 -1.333 -9.172 1.00 . A A . 7 ALA O 1 1 8 3618 1 1 8 CYS C C -7.676 0.571 -6.698 1.00 . A A . 8 CYS C 1 1 8 3619 1 1 8 CYS CA C -6.294 0.008 -7.038 1.00 . A A . 8 CYS CA 1 1 8 3620 1 1 8 CYS CB C -5.291 0.234 -5.906 1.00 . A A . 8 CYS CB 1 1 8 3621 1 1 8 CYS H H -5.988 1.602 -8.343 1.00 . A A . 8 CYS H 1 1 8 3622 1 1 8 CYS HA H -6.347 -1.066 -7.216 1.00 . A A . 8 CYS HA 1 1 8 3623 1 1 8 CYS HB2 H -4.469 0.858 -6.256 1.00 . A A . 8 CYS HB2 1 1 8 3624 1 1 8 CYS HB3 H -5.771 0.768 -5.085 1.00 . A A . 8 CYS HB3 1 1 8 3625 1 1 8 CYS HG H -4.712 -1.992 -6.486 1.00 . A A . 8 CYS HG 1 1 8 3626 1 1 8 CYS N N -5.847 0.614 -8.281 1.00 . A A . 8 CYS N 1 1 8 3627 1 1 8 CYS O O -8.098 1.576 -7.268 1.00 . A A . 8 CYS O 1 1 8 3628 1 1 8 CYS SG S -4.646 -1.372 -5.311 1.00 . A A . 8 CYS SG 1 1 8 3629 1 1 9 PRO C C -9.606 1.535 -4.423 1.00 . A A . 9 PRO C 1 1 8 3630 1 1 9 PRO CA C -9.684 0.301 -5.324 1.00 . A A . 9 PRO CA 1 1 8 3631 1 1 9 PRO CB C -10.277 -0.910 -4.623 1.00 . A A . 9 PRO CB 1 1 8 3632 1 1 9 PRO CD C -7.891 -1.314 -5.051 1.00 . A A . 9 PRO CD 1 1 8 3633 1 1 9 PRO CG C -9.099 -1.805 -4.270 1.00 . A A . 9 PRO CG 1 1 8 3634 1 1 9 PRO HA H -10.230 0.575 -6.116 1.00 . A A . 9 PRO HA 1 1 8 3635 1 1 9 PRO HB2 H -10.825 -0.615 -3.728 1.00 . A A . 9 PRO HB2 1 1 8 3636 1 1 9 PRO HB3 H -10.982 -1.431 -5.271 1.00 . A A . 9 PRO HB3 1 1 8 3637 1 1 9 PRO HD2 H -7.057 -1.084 -4.387 1.00 . A A . 9 PRO HD2 1 1 8 3638 1 1 9 PRO HD3 H -7.540 -2.070 -5.753 1.00 . A A . 9 PRO HD3 1 1 8 3639 1 1 9 PRO HG2 H -8.901 -1.770 -3.198 1.00 . A A . 9 PRO HG2 1 1 8 3640 1 1 9 PRO HG3 H -9.320 -2.842 -4.520 1.00 . A A . 9 PRO HG3 1 1 8 3641 1 1 9 PRO N N -8.359 -0.120 -5.747 1.00 . A A . 9 PRO N 1 1 8 3642 1 1 9 PRO O O -8.581 2.214 -4.380 1.00 . A A . 9 PRO O 1 1 8 3643 1 1 10 LYS C C -10.614 2.445 -1.382 1.00 . A A . 10 LYS C 1 1 8 3644 1 1 10 LYS CA C -10.772 2.928 -2.825 1.00 . A A . 10 LYS CA 1 1 8 3645 1 1 10 LYS CB C -12.054 3.726 -3.070 1.00 . A A . 10 LYS CB 1 1 8 3646 1 1 10 LYS CD C -14.421 3.730 -2.200 1.00 . A A . 10 LYS CD 1 1 8 3647 1 1 10 LYS CE C -15.347 4.241 -3.305 1.00 . A A . 10 LYS CE 1 1 8 3648 1 1 10 LYS CG C -13.293 2.876 -2.781 1.00 . A A . 10 LYS CG 1 1 8 3649 1 1 10 LYS H H -11.532 1.231 -3.763 1.00 . A A . 10 LYS H 1 1 8 3650 1 1 10 LYS HA H -9.934 3.583 -3.064 1.00 . A A . 10 LYS HA 1 1 8 3651 1 1 10 LYS HB2 H -12.061 4.613 -2.436 1.00 . A A . 10 LYS HB2 1 1 8 3652 1 1 10 LYS HB3 H -12.079 4.073 -4.103 1.00 . A A . 10 LYS HB3 1 1 8 3653 1 1 10 LYS HD2 H -14.994 3.143 -1.482 1.00 . A A . 10 LYS HD2 1 1 8 3654 1 1 10 LYS HD3 H -13.998 4.575 -1.655 1.00 . A A . 10 LYS HD3 1 1 8 3655 1 1 10 LYS HE2 H -15.659 5.262 -3.083 1.00 . A A . 10 LYS HE2 1 1 8 3656 1 1 10 LYS HE3 H -14.810 4.271 -4.253 1.00 . A A . 10 LYS HE3 1 1 8 3657 1 1 10 LYS HG2 H -13.631 2.397 -3.700 1.00 . A A . 10 LYS HG2 1 1 8 3658 1 1 10 LYS HG3 H -13.037 2.080 -2.082 1.00 . A A . 10 LYS HG3 1 1 8 3659 1 1 10 LYS HZ1 H -16.769 2.993 -2.532 1.00 . A A . 10 LYS HZ1 1 1 8 3660 1 1 10 LYS HZ2 H -17.307 3.903 -3.776 1.00 . A A . 10 LYS HZ2 1 1 8 3661 1 1 10 LYS HZ3 H -16.336 2.621 -4.062 1.00 . A A . 10 LYS HZ3 1 1 8 3662 1 1 10 LYS N N -10.703 1.788 -3.723 1.00 . A A . 10 LYS N 1 1 8 3663 1 1 10 LYS NZ N -16.536 3.369 -3.429 1.00 . A A . 10 LYS NZ 1 1 8 3664 1 1 10 LYS O O -10.858 3.199 -0.441 1.00 . A A . 10 LYS O 1 1 8 3665 1 1 11 ARG C C -8.545 0.226 0.264 1.00 . A A . 11 ARG C 1 1 8 3666 1 1 11 ARG CA C -10.015 0.598 0.060 1.00 . A A . 11 ARG CA 1 1 8 3667 1 1 11 ARG CB C -10.878 -0.653 0.232 1.00 . A A . 11 ARG CB 1 1 8 3668 1 1 11 ARG CD C -12.613 -0.608 -1.598 1.00 . A A . 11 ARG CD 1 1 8 3669 1 1 11 ARG CG C -12.340 -0.362 -0.113 1.00 . A A . 11 ARG CG 1 1 8 3670 1 1 11 ARG CZ C -12.773 -3.080 -1.869 1.00 . A A . 11 ARG CZ 1 1 8 3671 1 1 11 ARG H H -10.012 0.584 -2.023 1.00 . A A . 11 ARG H 1 1 8 3672 1 1 11 ARG HA H -10.325 1.371 0.763 1.00 . A A . 11 ARG HA 1 1 8 3673 1 1 11 ARG HB2 H -10.502 -1.450 -0.409 1.00 . A A . 11 ARG HB2 1 1 8 3674 1 1 11 ARG HB3 H -10.807 -1.010 1.259 1.00 . A A . 11 ARG HB3 1 1 8 3675 1 1 11 ARG HD2 H -13.684 -0.557 -1.793 1.00 . A A . 11 ARG HD2 1 1 8 3676 1 1 11 ARG HD3 H -12.143 0.172 -2.197 1.00 . A A . 11 ARG HD3 1 1 8 3677 1 1 11 ARG HE H -11.169 -1.978 -2.383 1.00 . A A . 11 ARG HE 1 1 8 3678 1 1 11 ARG HG2 H -12.993 -0.994 0.490 1.00 . A A . 11 ARG HG2 1 1 8 3679 1 1 11 ARG HG3 H -12.578 0.672 0.138 1.00 . A A . 11 ARG HG3 1 1 8 3680 1 1 11 ARG HH11 H -14.424 -2.206 -1.066 1.00 . A A . 11 ARG HH11 1 1 8 3681 1 1 11 ARG HH12 H -14.520 -3.924 -1.261 1.00 . A A . 11 ARG HH12 1 1 8 3682 1 1 11 ARG HH21 H -11.295 -4.245 -2.640 1.00 . A A . 11 ARG HH21 1 1 8 3683 1 1 11 ARG HH22 H -12.728 -5.092 -2.162 1.00 . A A . 11 ARG HH22 1 1 8 3684 1 1 11 ARG N N -10.208 1.190 -1.253 1.00 . A A . 11 ARG N 1 1 8 3685 1 1 11 ARG NE N -12.090 -1.934 -1.996 1.00 . A A . 11 ARG NE 1 1 8 3686 1 1 11 ARG NH1 N -14.011 -3.069 -1.356 1.00 . A A . 11 ARG NH1 1 1 8 3687 1 1 11 ARG NH2 N -12.219 -4.237 -2.257 1.00 . A A . 11 ARG NH2 1 1 8 3688 1 1 11 ARG O O -8.028 0.310 1.377 1.00 . A A . 11 ARG O 1 1 8 3689 1 1 12 PHE C C -5.616 0.656 -0.543 1.00 . A A . 12 PHE C 1 1 8 3690 1 1 12 PHE CA C -6.512 -0.561 -0.784 1.00 . A A . 12 PHE CA 1 1 8 3691 1 1 12 PHE CB C -6.171 -1.169 -2.146 1.00 . A A . 12 PHE CB 1 1 8 3692 1 1 12 PHE CD1 C -3.697 -1.553 -2.202 1.00 . A A . 12 PHE CD1 1 1 8 3693 1 1 12 PHE CD2 C -5.107 -3.434 -2.042 1.00 . A A . 12 PHE CD2 1 1 8 3694 1 1 12 PHE CE1 C -2.560 -2.404 -2.187 1.00 . A A . 12 PHE CE1 1 1 8 3695 1 1 12 PHE CE2 C -3.970 -4.285 -2.027 1.00 . A A . 12 PHE CE2 1 1 8 3696 1 1 12 PHE CG C -4.946 -2.086 -2.129 1.00 . A A . 12 PHE CG 1 1 8 3697 1 1 12 PHE CZ C -2.721 -3.752 -2.099 1.00 . A A . 12 PHE CZ 1 1 8 3698 1 1 12 PHE H H -8.340 -0.242 -1.730 1.00 . A A . 12 PHE H 1 1 8 3699 1 1 12 PHE HA H -6.396 -1.264 0.041 1.00 . A A . 12 PHE HA 1 1 8 3700 1 1 12 PHE HB2 H -7.031 -1.735 -2.505 1.00 . A A . 12 PHE HB2 1 1 8 3701 1 1 12 PHE HB3 H -5.999 -0.363 -2.859 1.00 . A A . 12 PHE HB3 1 1 8 3702 1 1 12 PHE HD1 H -3.568 -0.473 -2.272 1.00 . A A . 12 PHE HD1 1 1 8 3703 1 1 12 PHE HD2 H -6.108 -3.861 -1.984 1.00 . A A . 12 PHE HD2 1 1 8 3704 1 1 12 PHE HE1 H -1.559 -1.977 -2.245 1.00 . A A . 12 PHE HE1 1 1 8 3705 1 1 12 PHE HE2 H -4.098 -5.365 -1.957 1.00 . A A . 12 PHE HE2 1 1 8 3706 1 1 12 PHE HZ H -1.848 -4.405 -2.088 1.00 . A A . 12 PHE HZ 1 1 8 3707 1 1 12 PHE N N -7.912 -0.177 -0.829 1.00 . A A . 12 PHE N 1 1 8 3708 1 1 12 PHE O O -4.664 0.587 0.232 1.00 . A A . 12 PHE O 1 1 8 3709 1 1 13 MET C C -4.954 3.317 0.379 1.00 . A A . 13 MET C 1 1 8 3710 1 1 13 MET CA C -5.192 2.973 -1.093 1.00 . A A . 13 MET CA 1 1 8 3711 1 1 13 MET CB C -5.951 4.117 -1.768 1.00 . A A . 13 MET CB 1 1 8 3712 1 1 13 MET CE C -9.001 5.510 0.075 1.00 . A A . 13 MET CE 1 1 8 3713 1 1 13 MET CG C -7.461 3.963 -1.574 1.00 . A A . 13 MET CG 1 1 8 3714 1 1 13 MET H H -6.730 1.790 -1.851 1.00 . A A . 13 MET H 1 1 8 3715 1 1 13 MET HA H -4.240 2.781 -1.588 1.00 . A A . 13 MET HA 1 1 8 3716 1 1 13 MET HB2 H -5.622 5.070 -1.355 1.00 . A A . 13 MET HB2 1 1 8 3717 1 1 13 MET HB3 H -5.718 4.133 -2.833 1.00 . A A . 13 MET HB3 1 1 8 3718 1 1 13 MET HE1 H -9.246 4.477 0.322 1.00 . A A . 13 MET HE1 1 1 8 3719 1 1 13 MET HE2 H -8.310 5.907 0.819 1.00 . A A . 13 MET HE2 1 1 8 3720 1 1 13 MET HE3 H -9.912 6.108 0.068 1.00 . A A . 13 MET HE3 1 1 8 3721 1 1 13 MET HG2 H -7.881 3.365 -2.382 1.00 . A A . 13 MET HG2 1 1 8 3722 1 1 13 MET HG3 H -7.664 3.431 -0.644 1.00 . A A . 13 MET HG3 1 1 8 3723 1 1 13 MET N N -5.954 1.742 -1.223 1.00 . A A . 13 MET N 1 1 8 3724 1 1 13 MET O O -4.017 4.044 0.706 1.00 . A A . 13 MET O 1 1 8 3725 1 1 13 MET SD S -8.238 5.570 -1.538 1.00 . A A . 13 MET SD 1 1 8 3726 1 1 14 ARG C C -4.881 1.919 3.320 1.00 . A A . 14 ARG C 1 1 8 3727 1 1 14 ARG CA C -5.712 3.019 2.656 1.00 . A A . 14 ARG CA 1 1 8 3728 1 1 14 ARG CB C -7.094 3.069 3.309 1.00 . A A . 14 ARG CB 1 1 8 3729 1 1 14 ARG CD C -9.468 3.558 2.613 1.00 . A A . 14 ARG CD 1 1 8 3730 1 1 14 ARG CG C -8.016 4.039 2.567 1.00 . A A . 14 ARG CG 1 1 8 3731 1 1 14 ARG CZ C -11.685 4.606 3.059 1.00 . A A . 14 ARG CZ 1 1 8 3732 1 1 14 ARG H H -6.576 2.187 0.953 1.00 . A A . 14 ARG H 1 1 8 3733 1 1 14 ARG HA H -5.219 3.987 2.740 1.00 . A A . 14 ARG HA 1 1 8 3734 1 1 14 ARG HB2 H -7.536 2.073 3.313 1.00 . A A . 14 ARG HB2 1 1 8 3735 1 1 14 ARG HB3 H -6.998 3.379 4.350 1.00 . A A . 14 ARG HB3 1 1 8 3736 1 1 14 ARG HD2 H -9.711 3.021 1.696 1.00 . A A . 14 ARG HD2 1 1 8 3737 1 1 14 ARG HD3 H -9.602 2.858 3.437 1.00 . A A . 14 ARG HD3 1 1 8 3738 1 1 14 ARG HE H -9.996 5.631 2.672 1.00 . A A . 14 ARG HE 1 1 8 3739 1 1 14 ARG HG2 H -7.943 5.030 3.014 1.00 . A A . 14 ARG HG2 1 1 8 3740 1 1 14 ARG HG3 H -7.693 4.132 1.530 1.00 . A A . 14 ARG HG3 1 1 8 3741 1 1 14 ARG HH11 H -11.682 2.573 3.110 1.00 . A A . 14 ARG HH11 1 1 8 3742 1 1 14 ARG HH12 H -13.215 3.317 3.418 1.00 . A A . 14 ARG HH12 1 1 8 3743 1 1 14 ARG HH21 H -12.019 6.612 3.079 1.00 . A A . 14 ARG HH21 1 1 8 3744 1 1 14 ARG HH22 H -13.408 5.630 3.400 1.00 . A A . 14 ARG HH22 1 1 8 3745 1 1 14 ARG N N -5.817 2.778 1.227 1.00 . A A . 14 ARG N 1 1 8 3746 1 1 14 ARG NE N -10.379 4.713 2.777 1.00 . A A . 14 ARG NE 1 1 8 3747 1 1 14 ARG NH1 N -12.241 3.397 3.208 1.00 . A A . 14 ARG NH1 1 1 8 3748 1 1 14 ARG NH2 N -12.434 5.709 3.190 1.00 . A A . 14 ARG NH2 1 1 8 3749 1 1 14 ARG O O -3.971 2.206 4.096 1.00 . A A . 14 ARG O 1 1 8 3750 1 1 15 SER C C -3.032 -0.375 3.210 1.00 . A A . 15 SER C 1 1 8 3751 1 1 15 SER CA C -4.522 -0.462 3.546 1.00 . A A . 15 SER CA 1 1 8 3752 1 1 15 SER CB C -5.108 -1.775 3.022 1.00 . A A . 15 SER CB 1 1 8 3753 1 1 15 SER H H -5.966 0.457 2.359 1.00 . A A . 15 SER H 1 1 8 3754 1 1 15 SER HA H -4.676 -0.401 4.623 1.00 . A A . 15 SER HA 1 1 8 3755 1 1 15 SER HB2 H -5.171 -1.736 1.935 1.00 . A A . 15 SER HB2 1 1 8 3756 1 1 15 SER HB3 H -4.437 -2.597 3.273 1.00 . A A . 15 SER HB3 1 1 8 3757 1 1 15 SER HG H -6.539 -3.022 3.658 1.00 . A A . 15 SER HG 1 1 8 3758 1 1 15 SER N N -5.224 0.682 2.991 1.00 . A A . 15 SER N 1 1 8 3759 1 1 15 SER O O -2.215 -1.070 3.812 1.00 . A A . 15 SER O 1 1 8 3760 1 1 15 SER OG O -6.400 -2.036 3.562 1.00 . A A . 15 SER OG 1 1 8 3761 1 1 16 ASP C C -0.832 2.012 2.359 1.00 . A A . 16 ASP C 1 1 8 3762 1 1 16 ASP CA C -1.346 0.673 1.828 1.00 . A A . 16 ASP CA 1 1 8 3763 1 1 16 ASP CB C -1.237 0.696 0.302 1.00 . A A . 16 ASP CB 1 1 8 3764 1 1 16 ASP CG C -0.599 -0.548 -0.320 1.00 . A A . 16 ASP CG 1 1 8 3765 1 1 16 ASP H H -3.394 1.047 1.766 1.00 . A A . 16 ASP H 1 1 8 3766 1 1 16 ASP HA H -0.802 -0.177 2.241 1.00 . A A . 16 ASP HA 1 1 8 3767 1 1 16 ASP HB2 H -2.235 0.823 -0.117 1.00 . A A . 16 ASP HB2 1 1 8 3768 1 1 16 ASP HB3 H -0.655 1.570 0.008 1.00 . A A . 16 ASP HB3 1 1 8 3769 1 1 16 ASP N N -2.724 0.485 2.251 1.00 . A A . 16 ASP N 1 1 8 3770 1 1 16 ASP O O 0.376 2.232 2.434 1.00 . A A . 16 ASP O 1 1 8 3771 1 1 16 ASP OD1 O -0.552 -1.576 0.390 1.00 . A A . 16 ASP OD1 1 1 8 3772 1 1 16 ASP OD2 O -0.173 -0.443 -1.490 1.00 . A A . 16 ASP OD2 1 1 8 3773 1 1 17 ALA C C -1.255 4.095 4.754 1.00 . A A . 17 ALA C 1 1 8 3774 1 1 17 ALA CA C -1.432 4.185 3.237 1.00 . A A . 17 ALA CA 1 1 8 3775 1 1 17 ALA CB C -2.510 5.192 2.834 1.00 . A A . 17 ALA CB 1 1 8 3776 1 1 17 ALA H H -2.755 2.686 2.650 1.00 . A A . 17 ALA H 1 1 8 3777 1 1 17 ALA HA H -0.485 4.484 2.786 1.00 . A A . 17 ALA HA 1 1 8 3778 1 1 17 ALA HB1 H -2.283 6.163 3.274 1.00 . A A . 17 ALA HB1 1 1 8 3779 1 1 17 ALA HB2 H -2.536 5.283 1.748 1.00 . A A . 17 ALA HB2 1 1 8 3780 1 1 17 ALA HB3 H -3.480 4.849 3.193 1.00 . A A . 17 ALA HB3 1 1 8 3781 1 1 17 ALA N N -1.774 2.873 2.714 1.00 . A A . 17 ALA N 1 1 8 3782 1 1 17 ALA O O -1.474 5.073 5.467 1.00 . A A . 17 ALA O 1 1 8 3783 1 1 18 LEU C C -0.025 1.300 6.823 1.00 . A A . 18 LEU C 1 1 8 3784 1 1 18 LEU CA C -0.652 2.682 6.622 1.00 . A A . 18 LEU CA 1 1 8 3785 1 1 18 LEU CB C -1.957 2.884 7.395 1.00 . A A . 18 LEU CB 1 1 8 3786 1 1 18 LEU CD1 C -2.679 0.693 6.376 1.00 . A A . 18 LEU CD1 1 1 8 3787 1 1 18 LEU CD2 C -2.543 0.945 8.897 1.00 . A A . 18 LEU CD2 1 1 8 3788 1 1 18 LEU CG C -2.834 1.642 7.566 1.00 . A A . 18 LEU CG 1 1 8 3789 1 1 18 LEU H H -0.685 2.122 4.616 1.00 . A A . 18 LEU H 1 1 8 3790 1 1 18 LEU HA H 0.052 3.435 6.975 1.00 . A A . 18 LEU HA 1 1 8 3791 1 1 18 LEU HB2 H -1.713 3.272 8.384 1.00 . A A . 18 LEU HB2 1 1 8 3792 1 1 18 LEU HB3 H -2.542 3.650 6.887 1.00 . A A . 18 LEU HB3 1 1 8 3793 1 1 18 LEU HD11 H -2.351 1.256 5.503 1.00 . A A . 18 LEU HD11 1 1 8 3794 1 1 18 LEU HD12 H -1.940 -0.072 6.615 1.00 . A A . 18 LEU HD12 1 1 8 3795 1 1 18 LEU HD13 H -3.637 0.218 6.164 1.00 . A A . 18 LEU HD13 1 1 8 3796 1 1 18 LEU HD21 H -1.705 1.438 9.390 1.00 . A A . 18 LEU HD21 1 1 8 3797 1 1 18 LEU HD22 H -3.424 0.999 9.536 1.00 . A A . 18 LEU HD22 1 1 8 3798 1 1 18 LEU HD23 H -2.292 -0.100 8.713 1.00 . A A . 18 LEU HD23 1 1 8 3799 1 1 18 LEU HG H -3.876 1.960 7.591 1.00 . A A . 18 LEU HG 1 1 8 3800 1 1 18 LEU N N -0.860 2.912 5.202 1.00 . A A . 18 LEU N 1 1 8 3801 1 1 18 LEU O O -0.276 0.642 7.832 1.00 . A A . 18 LEU O 1 1 8 3802 1 1 19 SER C C 2.833 -0.290 5.276 1.00 . A A . 19 SER C 1 1 8 3803 1 1 19 SER CA C 1.442 -0.389 5.905 1.00 . A A . 19 SER CA 1 1 8 3804 1 1 19 SER CB C 0.615 -1.466 5.199 1.00 . A A . 19 SER CB 1 1 8 3805 1 1 19 SER H H 0.976 1.444 5.030 1.00 . A A . 19 SER H 1 1 8 3806 1 1 19 SER HA H 1.518 -0.627 6.966 1.00 . A A . 19 SER HA 1 1 8 3807 1 1 19 SER HB2 H 0.059 -1.015 4.378 1.00 . A A . 19 SER HB2 1 1 8 3808 1 1 19 SER HB3 H 1.284 -2.207 4.762 1.00 . A A . 19 SER HB3 1 1 8 3809 1 1 19 SER HG H -1.213 -2.108 5.699 1.00 . A A . 19 SER HG 1 1 8 3810 1 1 19 SER N N 0.778 0.902 5.847 1.00 . A A . 19 SER N 1 1 8 3811 1 1 19 SER O O 3.841 -0.456 5.960 1.00 . A A . 19 SER O 1 1 8 3812 1 1 19 SER OG O -0.292 -2.111 6.088 1.00 . A A . 19 SER OG 1 1 8 3813 1 1 20 LYS C C 4.704 1.480 3.520 1.00 . A A . 20 LYS C 1 1 8 3814 1 1 20 LYS CA C 4.094 0.103 3.249 1.00 . A A . 20 LYS CA 1 1 8 3815 1 1 20 LYS CB C 3.879 -0.193 1.764 1.00 . A A . 20 LYS CB 1 1 8 3816 1 1 20 LYS CD C 2.585 -2.354 1.890 1.00 . A A . 20 LYS CD 1 1 8 3817 1 1 20 LYS CE C 2.792 -3.819 2.281 1.00 . A A . 20 LYS CE 1 1 8 3818 1 1 20 LYS CG C 3.911 -1.699 1.495 1.00 . A A . 20 LYS CG 1 1 8 3819 1 1 20 LYS H H 2.019 0.114 3.429 1.00 . A A . 20 LYS H 1 1 8 3820 1 1 20 LYS HA H 4.773 -0.657 3.635 1.00 . A A . 20 LYS HA 1 1 8 3821 1 1 20 LYS HB2 H 2.923 0.217 1.441 1.00 . A A . 20 LYS HB2 1 1 8 3822 1 1 20 LYS HB3 H 4.652 0.301 1.175 1.00 . A A . 20 LYS HB3 1 1 8 3823 1 1 20 LYS HD2 H 2.141 -1.811 2.724 1.00 . A A . 20 LYS HD2 1 1 8 3824 1 1 20 LYS HD3 H 1.883 -2.292 1.059 1.00 . A A . 20 LYS HD3 1 1 8 3825 1 1 20 LYS HE2 H 1.829 -4.287 2.485 1.00 . A A . 20 LYS HE2 1 1 8 3826 1 1 20 LYS HE3 H 3.241 -4.363 1.450 1.00 . A A . 20 LYS HE3 1 1 8 3827 1 1 20 LYS HG2 H 4.109 -1.880 0.439 1.00 . A A . 20 LYS HG2 1 1 8 3828 1 1 20 LYS HG3 H 4.727 -2.155 2.056 1.00 . A A . 20 LYS HG3 1 1 8 3829 1 1 20 LYS HZ1 H 3.290 -4.605 4.100 1.00 . A A . 20 LYS HZ1 1 1 8 3830 1 1 20 LYS HZ2 H 4.583 -4.187 3.194 1.00 . A A . 20 LYS HZ2 1 1 8 3831 1 1 20 LYS HZ3 H 3.699 -3.032 3.935 1.00 . A A . 20 LYS HZ3 1 1 8 3832 1 1 20 LYS N N 2.843 -0.020 3.979 1.00 . A A . 20 LYS N 1 1 8 3833 1 1 20 LYS NZ N 3.662 -3.919 3.474 1.00 . A A . 20 LYS NZ 1 1 8 3834 1 1 20 LYS O O 5.075 2.192 2.588 1.00 . A A . 20 LYS O 1 1 8 3835 1 1 21 HIS C C 5.498 3.128 6.726 1.00 . A A . 21 HIS C 1 1 8 3836 1 1 21 HIS CA C 5.346 3.093 5.204 1.00 . A A . 21 HIS CA 1 1 8 3837 1 1 21 HIS CB C 4.501 4.249 4.665 1.00 . A A . 21 HIS CB 1 1 8 3838 1 1 21 HIS CD2 C 4.206 5.604 6.881 1.00 . A A . 21 HIS CD2 1 1 8 3839 1 1 21 HIS CE1 C 2.049 5.945 6.753 1.00 . A A . 21 HIS CE1 1 1 8 3840 1 1 21 HIS CG C 3.760 5.018 5.733 1.00 . A A . 21 HIS CG 1 1 8 3841 1 1 21 HIS H H 4.483 1.229 5.551 1.00 . A A . 21 HIS H 1 1 8 3842 1 1 21 HIS HA H 6.333 3.162 4.747 1.00 . A A . 21 HIS HA 1 1 8 3843 1 1 21 HIS HB2 H 5.149 4.936 4.121 1.00 . A A . 21 HIS HB2 1 1 8 3844 1 1 21 HIS HB3 H 3.780 3.856 3.949 1.00 . A A . 21 HIS HB3 1 1 8 3845 1 1 21 HIS HD1 H 1.779 4.944 4.956 1.00 . A A . 21 HIS HD1 1 1 8 3846 1 1 21 HIS HD2 H 5.238 5.610 7.234 1.00 . A A . 21 HIS HD2 1 1 8 3847 1 1 21 HIS HE1 H 1.042 6.283 6.999 1.00 . A A . 21 HIS HE1 1 1 8 3848 1 1 21 HIS HE2 H 3.200 6.615 8.388 1.00 . A A . 21 HIS HE2 1 1 8 3849 1 1 21 HIS N N 4.788 1.814 4.799 1.00 . A A . 21 HIS N 1 1 8 3850 1 1 21 HIS ND1 N 2.397 5.250 5.680 1.00 . A A . 21 HIS ND1 1 1 8 3851 1 1 21 HIS NE2 N 3.172 6.164 7.496 1.00 . A A . 21 HIS NE2 1 1 8 3852 1 1 21 HIS O O 6.456 3.699 7.245 1.00 . A A . 21 HIS O 1 1 8 3853 1 1 22 ILE C C 5.228 1.170 9.308 1.00 . A A . 22 ILE C 1 1 8 3854 1 1 22 ILE CA C 4.553 2.464 8.851 1.00 . A A . 22 ILE CA 1 1 8 3855 1 1 22 ILE CB C 3.140 2.650 9.407 1.00 . A A . 22 ILE CB 1 1 8 3856 1 1 22 ILE CD1 C 2.311 0.389 10.155 1.00 . A A . 22 ILE CD1 1 1 8 3857 1 1 22 ILE CG1 C 2.251 1.455 9.059 1.00 . A A . 22 ILE CG1 1 1 8 3858 1 1 22 ILE CG2 C 2.533 3.973 8.933 1.00 . A A . 22 ILE CG2 1 1 8 3859 1 1 22 ILE H H 3.762 2.049 6.969 1.00 . A A . 22 ILE H 1 1 8 3860 1 1 22 ILE HA H 5.150 3.307 9.199 1.00 . A A . 22 ILE HA 1 1 8 3861 1 1 22 ILE HB H 3.204 2.697 10.494 1.00 . A A . 22 ILE HB 1 1 8 3862 1 1 22 ILE HD11 H 3.345 0.078 10.303 1.00 . A A . 22 ILE HD11 1 1 8 3863 1 1 22 ILE HD12 H 1.919 0.801 11.084 1.00 . A A . 22 ILE HD12 1 1 8 3864 1 1 22 ILE HD13 H 1.711 -0.472 9.858 1.00 . A A . 22 ILE HD13 1 1 8 3865 1 1 22 ILE HG12 H 1.222 1.788 8.927 1.00 . A A . 22 ILE HG12 1 1 8 3866 1 1 22 ILE HG13 H 2.570 1.024 8.110 1.00 . A A . 22 ILE HG13 1 1 8 3867 1 1 22 ILE HG21 H 3.132 4.802 9.310 1.00 . A A . 22 ILE HG21 1 1 8 3868 1 1 22 ILE HG22 H 2.523 3.998 7.843 1.00 . A A . 22 ILE HG22 1 1 8 3869 1 1 22 ILE HG23 H 1.514 4.060 9.308 1.00 . A A . 22 ILE HG23 1 1 8 3870 1 1 22 ILE N N 4.538 2.511 7.399 1.00 . A A . 22 ILE N 1 1 8 3871 1 1 22 ILE O O 5.737 1.092 10.426 1.00 . A A . 22 ILE O 1 1 8 3872 1 1 23 LYS C C 7.273 -1.096 8.256 1.00 . A A . 23 LYS C 1 1 8 3873 1 1 23 LYS CA C 5.815 -1.102 8.721 1.00 . A A . 23 LYS CA 1 1 8 3874 1 1 23 LYS CB C 4.983 -2.237 8.121 1.00 . A A . 23 LYS CB 1 1 8 3875 1 1 23 LYS CD C 3.846 -2.691 10.325 1.00 . A A . 23 LYS CD 1 1 8 3876 1 1 23 LYS CE C 2.760 -3.639 10.838 1.00 . A A . 23 LYS CE 1 1 8 3877 1 1 23 LYS CG C 3.641 -2.374 8.843 1.00 . A A . 23 LYS CG 1 1 8 3878 1 1 23 LYS H H 4.795 0.257 7.515 1.00 . A A . 23 LYS H 1 1 8 3879 1 1 23 LYS HA H 5.798 -1.227 9.803 1.00 . A A . 23 LYS HA 1 1 8 3880 1 1 23 LYS HB2 H 4.812 -2.047 7.061 1.00 . A A . 23 LYS HB2 1 1 8 3881 1 1 23 LYS HB3 H 5.535 -3.174 8.191 1.00 . A A . 23 LYS HB3 1 1 8 3882 1 1 23 LYS HD2 H 4.827 -3.142 10.472 1.00 . A A . 23 LYS HD2 1 1 8 3883 1 1 23 LYS HD3 H 3.830 -1.767 10.904 1.00 . A A . 23 LYS HD3 1 1 8 3884 1 1 23 LYS HE2 H 2.823 -3.721 11.923 1.00 . A A . 23 LYS HE2 1 1 8 3885 1 1 23 LYS HE3 H 1.776 -3.234 10.606 1.00 . A A . 23 LYS HE3 1 1 8 3886 1 1 23 LYS HG2 H 3.073 -1.449 8.740 1.00 . A A . 23 LYS HG2 1 1 8 3887 1 1 23 LYS HG3 H 3.052 -3.163 8.376 1.00 . A A . 23 LYS HG3 1 1 8 3888 1 1 23 LYS HZ1 H 2.649 -4.933 9.260 1.00 . A A . 23 LYS HZ1 1 1 8 3889 1 1 23 LYS HZ2 H 3.861 -5.275 10.300 1.00 . A A . 23 LYS HZ2 1 1 8 3890 1 1 23 LYS HZ3 H 2.318 -5.630 10.699 1.00 . A A . 23 LYS HZ3 1 1 8 3891 1 1 23 LYS N N 5.211 0.185 8.422 1.00 . A A . 23 LYS N 1 1 8 3892 1 1 23 LYS NZ N 2.909 -4.978 10.225 1.00 . A A . 23 LYS NZ 1 1 8 3893 1 1 23 LYS O O 7.842 -2.149 7.971 1.00 . A A . 23 LYS O 1 1 8 3894 1 1 24 THR C C 9.639 1.726 7.857 1.00 . A A . 24 THR C 1 1 8 3895 1 1 24 THR CA C 9.217 0.258 7.769 1.00 . A A . 24 THR CA 1 1 8 3896 1 1 24 THR CB C 9.347 -0.327 6.361 1.00 . A A . 24 THR CB 1 1 8 3897 1 1 24 THR CG2 C 8.752 0.587 5.289 1.00 . A A . 24 THR CG2 1 1 8 3898 1 1 24 THR H H 7.366 0.953 8.427 1.00 . A A . 24 THR H 1 1 8 3899 1 1 24 THR HA H 9.853 -0.299 8.456 1.00 . A A . 24 THR HA 1 1 8 3900 1 1 24 THR HB H 8.908 -1.324 6.312 1.00 . A A . 24 THR HB 1 1 8 3901 1 1 24 THR HG1 H 11.221 -0.936 6.711 1.00 . A A . 24 THR HG1 1 1 8 3902 1 1 24 THR HG21 H 7.757 0.909 5.597 1.00 . A A . 24 THR HG21 1 1 8 3903 1 1 24 THR HG22 H 9.392 1.459 5.159 1.00 . A A . 24 THR HG22 1 1 8 3904 1 1 24 THR HG23 H 8.682 0.044 4.346 1.00 . A A . 24 THR HG23 1 1 8 3905 1 1 24 THR N N 7.836 0.102 8.194 1.00 . A A . 24 THR N 1 1 8 3906 1 1 24 THR O O 9.101 2.575 7.147 1.00 . A A . 24 THR O 1 1 8 3907 1 1 24 THR OG1 O 10.748 -0.300 6.102 1.00 . A A . 24 THR OG1 1 1 8 3908 1 1 25 ALA C C 12.377 3.518 8.108 1.00 . A A . 25 ALA C 1 1 8 3909 1 1 25 ALA CA C 11.098 3.332 8.926 1.00 . A A . 25 ALA CA 1 1 8 3910 1 1 25 ALA CB C 11.317 3.590 10.418 1.00 . A A . 25 ALA CB 1 1 8 3911 1 1 25 ALA H H 11.030 1.286 9.309 1.00 . A A . 25 ALA H 1 1 8 3912 1 1 25 ALA HA H 10.338 4.022 8.558 1.00 . A A . 25 ALA HA 1 1 8 3913 1 1 25 ALA HB1 H 10.436 4.077 10.836 1.00 . A A . 25 ALA HB1 1 1 8 3914 1 1 25 ALA HB2 H 11.485 2.642 10.929 1.00 . A A . 25 ALA HB2 1 1 8 3915 1 1 25 ALA HB3 H 12.186 4.233 10.552 1.00 . A A . 25 ALA HB3 1 1 8 3916 1 1 25 ALA N N 10.597 1.981 8.735 1.00 . A A . 25 ALA N 1 1 8 3917 1 1 25 ALA O O 13.474 3.550 8.664 1.00 . A A . 25 ALA O 1 1 8 3918 1 1 26 PHE C C 12.846 4.213 4.502 1.00 . A A . 26 PHE C 1 1 8 3919 1 1 26 PHE CA C 13.321 3.816 5.901 1.00 . A A . 26 PHE CA 1 1 8 3920 1 1 26 PHE CB C 14.047 2.472 5.817 1.00 . A A . 26 PHE CB 1 1 8 3921 1 1 26 PHE CD1 C 12.020 1.628 4.613 1.00 . A A . 26 PHE CD1 1 1 8 3922 1 1 26 PHE CD2 C 13.939 0.262 4.645 1.00 . A A . 26 PHE CD2 1 1 8 3923 1 1 26 PHE CE1 C 11.334 0.647 3.849 1.00 . A A . 26 PHE CE1 1 1 8 3924 1 1 26 PHE CE2 C 13.253 -0.720 3.882 1.00 . A A . 26 PHE CE2 1 1 8 3925 1 1 26 PHE CG C 13.308 1.415 4.995 1.00 . A A . 26 PHE CG 1 1 8 3926 1 1 26 PHE CZ C 11.965 -0.506 3.500 1.00 . A A . 26 PHE CZ 1 1 8 3927 1 1 26 PHE H H 11.299 3.607 6.357 1.00 . A A . 26 PHE H 1 1 8 3928 1 1 26 PHE HA H 13.939 4.613 6.313 1.00 . A A . 26 PHE HA 1 1 8 3929 1 1 26 PHE HB2 H 15.035 2.631 5.383 1.00 . A A . 26 PHE HB2 1 1 8 3930 1 1 26 PHE HB3 H 14.201 2.090 6.827 1.00 . A A . 26 PHE HB3 1 1 8 3931 1 1 26 PHE HD1 H 11.515 2.552 4.893 1.00 . A A . 26 PHE HD1 1 1 8 3932 1 1 26 PHE HD2 H 14.971 0.090 4.951 1.00 . A A . 26 PHE HD2 1 1 8 3933 1 1 26 PHE HE1 H 10.302 0.818 3.543 1.00 . A A . 26 PHE HE1 1 1 8 3934 1 1 26 PHE HE2 H 13.758 -1.644 3.602 1.00 . A A . 26 PHE HE2 1 1 8 3935 1 1 26 PHE HZ H 11.438 -1.259 2.914 1.00 . A A . 26 PHE HZ 1 1 8 3936 1 1 26 PHE N N 12.194 3.634 6.801 1.00 . A A . 26 PHE N 1 1 8 3937 1 1 26 PHE O O 11.693 4.601 4.320 1.00 . A A . 26 PHE O 1 1 8 3938 1 1 27 ILE C C 13.834 3.279 1.260 1.00 . A A . 27 ILE C 1 1 8 3939 1 1 27 ILE CA C 13.449 4.446 2.171 1.00 . A A . 27 ILE CA 1 1 8 3940 1 1 27 ILE CB C 14.111 5.771 1.787 1.00 . A A . 27 ILE CB 1 1 8 3941 1 1 27 ILE CD1 C 15.911 5.438 0.052 1.00 . A A . 27 ILE CD1 1 1 8 3942 1 1 27 ILE CG1 C 15.610 5.585 1.545 1.00 . A A . 27 ILE CG1 1 1 8 3943 1 1 27 ILE CG2 C 13.828 6.850 2.834 1.00 . A A . 27 ILE CG2 1 1 8 3944 1 1 27 ILE H H 14.695 3.787 3.704 1.00 . A A . 27 ILE H 1 1 8 3945 1 1 27 ILE HA H 12.371 4.594 2.106 1.00 . A A . 27 ILE HA 1 1 8 3946 1 1 27 ILE HB H 13.673 6.112 0.848 1.00 . A A . 27 ILE HB 1 1 8 3947 1 1 27 ILE HD11 H 16.041 6.426 -0.392 1.00 . A A . 27 ILE HD11 1 1 8 3948 1 1 27 ILE HD12 H 16.824 4.858 -0.079 1.00 . A A . 27 ILE HD12 1 1 8 3949 1 1 27 ILE HD13 H 15.081 4.927 -0.437 1.00 . A A . 27 ILE HD13 1 1 8 3950 1 1 27 ILE HG12 H 16.155 6.439 1.947 1.00 . A A . 27 ILE HG12 1 1 8 3951 1 1 27 ILE HG13 H 15.961 4.703 2.079 1.00 . A A . 27 ILE HG13 1 1 8 3952 1 1 27 ILE HG21 H 12.845 7.284 2.653 1.00 . A A . 27 ILE HG21 1 1 8 3953 1 1 27 ILE HG22 H 13.851 6.405 3.829 1.00 . A A . 27 ILE HG22 1 1 8 3954 1 1 27 ILE HG23 H 14.587 7.629 2.767 1.00 . A A . 27 ILE HG23 1 1 8 3955 1 1 27 ILE N N 13.760 4.103 3.548 1.00 . A A . 27 ILE N 1 1 8 3956 1 1 27 ILE O O 14.992 3.152 0.864 1.00 . A A . 27 ILE O 1 1 8 3957 1 1 28 VAL C C 11.712 0.727 -0.332 1.00 . A A . 28 VAL C 1 1 8 3958 1 1 28 VAL CA C 13.062 1.304 0.096 1.00 . A A . 28 VAL CA 1 1 8 3959 1 1 28 VAL CB C 13.950 0.283 0.811 1.00 . A A . 28 VAL CB 1 1 8 3960 1 1 28 VAL CG1 C 13.659 -1.136 0.317 1.00 . A A . 28 VAL CG1 1 1 8 3961 1 1 28 VAL CG2 C 15.430 0.630 0.642 1.00 . A A . 28 VAL CG2 1 1 8 3962 1 1 28 VAL H H 11.903 2.567 1.279 1.00 . A A . 28 VAL H 1 1 8 3963 1 1 28 VAL HA H 13.593 1.651 -0.791 1.00 . A A . 28 VAL HA 1 1 8 3964 1 1 28 VAL HB H 13.716 0.322 1.874 1.00 . A A . 28 VAL HB 1 1 8 3965 1 1 28 VAL HG11 H 13.457 -1.113 -0.754 1.00 . A A . 28 VAL HG11 1 1 8 3966 1 1 28 VAL HG12 H 14.523 -1.772 0.510 1.00 . A A . 28 VAL HG12 1 1 8 3967 1 1 28 VAL HG13 H 12.791 -1.533 0.843 1.00 . A A . 28 VAL HG13 1 1 8 3968 1 1 28 VAL HG21 H 15.778 1.177 1.518 1.00 . A A . 28 VAL HG21 1 1 8 3969 1 1 28 VAL HG22 H 16.008 -0.287 0.533 1.00 . A A . 28 VAL HG22 1 1 8 3970 1 1 28 VAL HG23 H 15.559 1.249 -0.247 1.00 . A A . 28 VAL HG23 1 1 8 3971 1 1 28 VAL N N 12.842 2.457 0.953 1.00 . A A . 28 VAL N 1 1 8 3972 1 1 28 VAL O O 11.505 0.427 -1.507 1.00 . A A . 28 VAL O 1 1 8 3973 1 1 29 VAL C C 8.466 0.861 1.166 1.00 . A A . 29 VAL C 1 1 8 3974 1 1 29 VAL CA C 9.502 0.052 0.383 1.00 . A A . 29 VAL CA 1 1 8 3975 1 1 29 VAL CB C 9.468 -1.442 0.713 1.00 . A A . 29 VAL CB 1 1 8 3976 1 1 29 VAL CG1 C 8.033 -1.973 0.699 1.00 . A A . 29 VAL CG1 1 1 8 3977 1 1 29 VAL CG2 C 10.355 -2.235 -0.248 1.00 . A A . 29 VAL CG2 1 1 8 3978 1 1 29 VAL H H 11.003 0.835 1.597 1.00 . A A . 29 VAL H 1 1 8 3979 1 1 29 VAL HA H 9.305 0.167 -0.683 1.00 . A A . 29 VAL HA 1 1 8 3980 1 1 29 VAL HB H 9.864 -1.572 1.720 1.00 . A A . 29 VAL HB 1 1 8 3981 1 1 29 VAL HG11 H 7.564 -1.778 1.664 1.00 . A A . 29 VAL HG11 1 1 8 3982 1 1 29 VAL HG12 H 7.468 -1.473 -0.087 1.00 . A A . 29 VAL HG12 1 1 8 3983 1 1 29 VAL HG13 H 8.045 -3.047 0.512 1.00 . A A . 29 VAL HG13 1 1 8 3984 1 1 29 VAL HG21 H 11.102 -1.572 -0.685 1.00 . A A . 29 VAL HG21 1 1 8 3985 1 1 29 VAL HG22 H 10.855 -3.036 0.297 1.00 . A A . 29 VAL HG22 1 1 8 3986 1 1 29 VAL HG23 H 9.742 -2.663 -1.041 1.00 . A A . 29 VAL HG23 1 1 8 3987 1 1 29 VAL N N 10.827 0.588 0.644 1.00 . A A . 29 VAL N 1 1 8 3988 1 1 29 VAL O O 7.309 0.456 1.273 1.00 . A A . 29 VAL O 1 1 8 3989 1 1 30 ALA C C 7.454 3.927 1.541 1.00 . A A . 30 ALA C 1 1 8 3990 1 1 30 ALA CA C 8.044 2.859 2.463 1.00 . A A . 30 ALA CA 1 1 8 3991 1 1 30 ALA CB C 8.826 3.463 3.631 1.00 . A A . 30 ALA CB 1 1 8 3992 1 1 30 ALA H H 9.860 2.311 1.601 1.00 . A A . 30 ALA H 1 1 8 3993 1 1 30 ALA HA H 7.235 2.247 2.861 1.00 . A A . 30 ALA HA 1 1 8 3994 1 1 30 ALA HB1 H 8.750 4.550 3.595 1.00 . A A . 30 ALA HB1 1 1 8 3995 1 1 30 ALA HB2 H 8.411 3.101 4.572 1.00 . A A . 30 ALA HB2 1 1 8 3996 1 1 30 ALA HB3 H 9.873 3.169 3.559 1.00 . A A . 30 ALA HB3 1 1 8 3997 1 1 30 ALA N N 8.918 1.989 1.693 1.00 . A A . 30 ALA N 1 1 8 3998 1 1 30 ALA O O 8.123 4.398 0.622 1.00 . A A . 30 ALA O 1 1 8 3999 1 1 31 LEU C C 6.188 6.643 1.240 1.00 . A A . 31 LEU C 1 1 8 4000 1 1 31 LEU CA C 5.519 5.284 1.025 1.00 . A A . 31 LEU CA 1 1 8 4001 1 1 31 LEU CB C 4.021 5.279 1.337 1.00 . A A . 31 LEU CB 1 1 8 4002 1 1 31 LEU CD1 C 1.824 4.177 0.775 1.00 . A A . 31 LEU CD1 1 1 8 4003 1 1 31 LEU CD2 C 4.010 3.098 0.072 1.00 . A A . 31 LEU CD2 1 1 8 4004 1 1 31 LEU CG C 3.296 3.949 1.124 1.00 . A A . 31 LEU CG 1 1 8 4005 1 1 31 LEU H H 5.670 3.892 2.567 1.00 . A A . 31 LEU H 1 1 8 4006 1 1 31 LEU HA H 5.631 5.006 -0.023 1.00 . A A . 31 LEU HA 1 1 8 4007 1 1 31 LEU HB2 H 3.886 5.582 2.375 1.00 . A A . 31 LEU HB2 1 1 8 4008 1 1 31 LEU HB3 H 3.539 6.036 0.718 1.00 . A A . 31 LEU HB3 1 1 8 4009 1 1 31 LEU HD11 H 1.706 5.161 0.322 1.00 . A A . 31 LEU HD11 1 1 8 4010 1 1 31 LEU HD12 H 1.495 3.412 0.072 1.00 . A A . 31 LEU HD12 1 1 8 4011 1 1 31 LEU HD13 H 1.222 4.120 1.682 1.00 . A A . 31 LEU HD13 1 1 8 4012 1 1 31 LEU HD21 H 4.006 3.622 -0.883 1.00 . A A . 31 LEU HD21 1 1 8 4013 1 1 31 LEU HD22 H 5.039 2.921 0.385 1.00 . A A . 31 LEU HD22 1 1 8 4014 1 1 31 LEU HD23 H 3.493 2.144 -0.034 1.00 . A A . 31 LEU HD23 1 1 8 4015 1 1 31 LEU HG H 3.322 3.392 2.061 1.00 . A A . 31 LEU HG 1 1 8 4016 1 1 31 LEU N N 6.207 4.279 1.818 1.00 . A A . 31 LEU N 1 1 8 4017 1 1 31 LEU O O 6.999 7.076 0.423 1.00 . A A . 31 LEU O 1 1 8 4018 1 1 32 GLY C C 6.163 9.575 1.535 1.00 . A A . 32 GLY C 1 1 8 4019 1 1 32 GLY CA C 6.378 8.579 2.677 1.00 . A A . 32 GLY CA 1 1 8 4020 1 1 32 GLY H H 5.163 6.919 3.004 1.00 . A A . 32 GLY H 1 1 8 4021 1 1 32 GLY HA2 H 5.910 8.956 3.586 1.00 . A A . 32 GLY HA2 1 1 8 4022 1 1 32 GLY HA3 H 7.443 8.482 2.884 1.00 . A A . 32 GLY HA3 1 1 8 4023 1 1 32 GLY N N 5.823 7.278 2.344 1.00 . A A . 32 GLY N 1 1 8 4024 1 1 32 GLY O O 6.558 10.736 1.637 1.00 . A A . 32 GLY O 1 1 9 4025 1 1 1 TYR C C -8.363 -6.955 -9.641 1.00 . A A . 1 TYR C 1 1 9 4026 1 1 1 TYR CA C -7.783 -5.646 -9.101 1.00 . A A . 1 TYR CA 1 1 9 4027 1 1 1 TYR CB C -6.427 -5.933 -8.452 1.00 . A A . 1 TYR CB 1 1 9 4028 1 1 1 TYR CD1 C -5.638 -8.134 -9.396 1.00 . A A . 1 TYR CD1 1 1 9 4029 1 1 1 TYR CD2 C -4.477 -6.145 -10.037 1.00 . A A . 1 TYR CD2 1 1 9 4030 1 1 1 TYR CE1 C -4.750 -8.916 -10.215 1.00 . A A . 1 TYR CE1 1 1 9 4031 1 1 1 TYR CE2 C -3.589 -6.927 -10.856 1.00 . A A . 1 TYR CE2 1 1 9 4032 1 1 1 TYR CG C -5.483 -6.764 -9.323 1.00 . A A . 1 TYR CG 1 1 9 4033 1 1 1 TYR CZ C -3.769 -8.275 -10.906 1.00 . A A . 1 TYR CZ 1 1 9 4034 1 1 1 TYR H1 H -9.606 -5.171 -8.213 1.00 . A A . 1 TYR H1 1 1 9 4035 1 1 1 TYR HA H -7.738 -4.917 -9.909 1.00 . A A . 1 TYR HA 1 1 9 4036 1 1 1 TYR HB2 H -5.944 -4.986 -8.212 1.00 . A A . 1 TYR HB2 1 1 9 4037 1 1 1 TYR HB3 H -6.590 -6.455 -7.510 1.00 . A A . 1 TYR HB3 1 1 9 4038 1 1 1 TYR HD1 H -6.433 -8.623 -8.832 1.00 . A A . 1 TYR HD1 1 1 9 4039 1 1 1 TYR HD2 H -4.355 -5.063 -9.979 1.00 . A A . 1 TYR HD2 1 1 9 4040 1 1 1 TYR HE1 H -4.861 -9.999 -10.282 1.00 . A A . 1 TYR HE1 1 1 9 4041 1 1 1 TYR HE2 H -2.791 -6.451 -11.425 1.00 . A A . 1 TYR HE2 1 1 9 4042 1 1 1 TYR HH H -3.205 -9.975 -11.661 1.00 . A A . 1 TYR HH 1 1 9 4043 1 1 1 TYR N N -8.623 -5.099 -8.049 1.00 . A A . 1 TYR N 1 1 9 4044 1 1 1 TYR O O -8.516 -7.923 -8.897 1.00 . A A . 1 TYR O 1 1 9 4045 1 1 1 TYR OH O -2.931 -9.014 -11.680 1.00 . A A . 1 TYR OH 1 1 9 4046 1 1 2 ALA C C -8.092 -9.024 -12.050 1.00 . A A . 2 ALA C 1 1 9 4047 1 1 2 ALA CA C -9.229 -8.117 -11.577 1.00 . A A . 2 ALA CA 1 1 9 4048 1 1 2 ALA CB C -10.142 -7.680 -12.725 1.00 . A A . 2 ALA CB 1 1 9 4049 1 1 2 ALA H H -8.541 -6.151 -11.527 1.00 . A A . 2 ALA H 1 1 9 4050 1 1 2 ALA HA H -9.826 -8.651 -10.838 1.00 . A A . 2 ALA HA 1 1 9 4051 1 1 2 ALA HB1 H -9.860 -6.680 -13.053 1.00 . A A . 2 ALA HB1 1 1 9 4052 1 1 2 ALA HB2 H -10.041 -8.378 -13.556 1.00 . A A . 2 ALA HB2 1 1 9 4053 1 1 2 ALA HB3 H -11.177 -7.672 -12.382 1.00 . A A . 2 ALA HB3 1 1 9 4054 1 1 2 ALA N N -8.669 -6.943 -10.930 1.00 . A A . 2 ALA N 1 1 9 4055 1 1 2 ALA O O -8.001 -10.179 -11.636 1.00 . A A . 2 ALA O 1 1 9 4056 1 1 3 PHE C C -4.975 -8.273 -13.818 1.00 . A A . 3 PHE C 1 1 9 4057 1 1 3 PHE CA C -6.124 -9.212 -13.444 1.00 . A A . 3 PHE CA 1 1 9 4058 1 1 3 PHE CB C -6.615 -9.924 -14.706 1.00 . A A . 3 PHE CB 1 1 9 4059 1 1 3 PHE CD1 C -7.806 -7.999 -15.778 1.00 . A A . 3 PHE CD1 1 1 9 4060 1 1 3 PHE CD2 C -6.184 -9.144 -17.046 1.00 . A A . 3 PHE CD2 1 1 9 4061 1 1 3 PHE CE1 C -8.050 -7.130 -16.874 1.00 . A A . 3 PHE CE1 1 1 9 4062 1 1 3 PHE CE2 C -6.428 -8.275 -18.142 1.00 . A A . 3 PHE CE2 1 1 9 4063 1 1 3 PHE CG C -6.878 -8.988 -15.887 1.00 . A A . 3 PHE CG 1 1 9 4064 1 1 3 PHE CZ C -7.356 -7.286 -18.033 1.00 . A A . 3 PHE CZ 1 1 9 4065 1 1 3 PHE H H -7.333 -7.527 -13.242 1.00 . A A . 3 PHE H 1 1 9 4066 1 1 3 PHE HA H -5.792 -9.898 -12.666 1.00 . A A . 3 PHE HA 1 1 9 4067 1 1 3 PHE HB2 H -5.875 -10.668 -15.003 1.00 . A A . 3 PHE HB2 1 1 9 4068 1 1 3 PHE HB3 H -7.533 -10.464 -14.472 1.00 . A A . 3 PHE HB3 1 1 9 4069 1 1 3 PHE HD1 H -8.362 -7.874 -14.849 1.00 . A A . 3 PHE HD1 1 1 9 4070 1 1 3 PHE HD2 H -5.441 -9.936 -17.134 1.00 . A A . 3 PHE HD2 1 1 9 4071 1 1 3 PHE HE1 H -8.793 -6.338 -16.786 1.00 . A A . 3 PHE HE1 1 1 9 4072 1 1 3 PHE HE2 H -5.872 -8.400 -19.071 1.00 . A A . 3 PHE HE2 1 1 9 4073 1 1 3 PHE HZ H -7.543 -6.619 -18.874 1.00 . A A . 3 PHE HZ 1 1 9 4074 1 1 3 PHE N N -7.252 -8.467 -12.911 1.00 . A A . 3 PHE N 1 1 9 4075 1 1 3 PHE O O -4.712 -7.299 -13.115 1.00 . A A . 3 PHE O 1 1 9 4076 1 1 4 ALA C C -3.733 -6.693 -16.315 1.00 . A A . 4 ALA C 1 1 9 4077 1 1 4 ALA CA C -3.207 -7.799 -15.398 1.00 . A A . 4 ALA CA 1 1 9 4078 1 1 4 ALA CB C -2.190 -8.702 -16.099 1.00 . A A . 4 ALA CB 1 1 9 4079 1 1 4 ALA H H -4.542 -9.395 -15.489 1.00 . A A . 4 ALA H 1 1 9 4080 1 1 4 ALA HA H -2.731 -7.343 -14.529 1.00 . A A . 4 ALA HA 1 1 9 4081 1 1 4 ALA HB1 H -1.930 -8.274 -17.066 1.00 . A A . 4 ALA HB1 1 1 9 4082 1 1 4 ALA HB2 H -1.293 -8.785 -15.485 1.00 . A A . 4 ALA HB2 1 1 9 4083 1 1 4 ALA HB3 H -2.623 -9.692 -16.244 1.00 . A A . 4 ALA HB3 1 1 9 4084 1 1 4 ALA N N -4.322 -8.600 -14.923 1.00 . A A . 4 ALA N 1 1 9 4085 1 1 4 ALA O O -3.905 -6.905 -17.514 1.00 . A A . 4 ALA O 1 1 9 4086 1 1 5 CYS C C -4.622 -3.216 -15.501 1.00 . A A . 5 CYS C 1 1 9 4087 1 1 5 CYS CA C -4.478 -4.397 -16.463 1.00 . A A . 5 CYS CA 1 1 9 4088 1 1 5 CYS CB C -5.796 -4.721 -17.169 1.00 . A A . 5 CYS CB 1 1 9 4089 1 1 5 CYS H H -3.832 -5.372 -14.739 1.00 . A A . 5 CYS H 1 1 9 4090 1 1 5 CYS HA H -3.741 -4.178 -17.236 1.00 . A A . 5 CYS HA 1 1 9 4091 1 1 5 CYS HB2 H -6.186 -5.673 -16.810 1.00 . A A . 5 CYS HB2 1 1 9 4092 1 1 5 CYS HB3 H -6.541 -3.962 -16.933 1.00 . A A . 5 CYS HB3 1 1 9 4093 1 1 5 CYS HG H -4.593 -3.858 -19.023 1.00 . A A . 5 CYS HG 1 1 9 4094 1 1 5 CYS N N -3.975 -5.536 -15.715 1.00 . A A . 5 CYS N 1 1 9 4095 1 1 5 CYS O O -4.000 -2.173 -15.694 1.00 . A A . 5 CYS O 1 1 9 4096 1 1 5 CYS SG S -5.534 -4.797 -18.979 1.00 . A A . 5 CYS SG 1 1 9 4097 1 1 6 PRO C C -4.509 -2.262 -12.515 1.00 . A A . 6 PRO C 1 1 9 4098 1 1 6 PRO CA C -5.702 -2.391 -13.464 1.00 . A A . 6 PRO CA 1 1 9 4099 1 1 6 PRO CB C -6.982 -2.807 -12.756 1.00 . A A . 6 PRO CB 1 1 9 4100 1 1 6 PRO CD C -6.223 -4.648 -14.196 1.00 . A A . 6 PRO CD 1 1 9 4101 1 1 6 PRO CG C -7.163 -4.286 -13.058 1.00 . A A . 6 PRO CG 1 1 9 4102 1 1 6 PRO HA H -5.797 -1.499 -13.907 1.00 . A A . 6 PRO HA 1 1 9 4103 1 1 6 PRO HB2 H -6.908 -2.633 -11.682 1.00 . A A . 6 PRO HB2 1 1 9 4104 1 1 6 PRO HB3 H -7.832 -2.228 -13.115 1.00 . A A . 6 PRO HB3 1 1 9 4105 1 1 6 PRO HD2 H -5.562 -5.469 -13.917 1.00 . A A . 6 PRO HD2 1 1 9 4106 1 1 6 PRO HD3 H -6.775 -4.969 -15.079 1.00 . A A . 6 PRO HD3 1 1 9 4107 1 1 6 PRO HG2 H -6.942 -4.885 -12.174 1.00 . A A . 6 PRO HG2 1 1 9 4108 1 1 6 PRO HG3 H -8.196 -4.495 -13.335 1.00 . A A . 6 PRO HG3 1 1 9 4109 1 1 6 PRO N N -5.469 -3.425 -14.457 1.00 . A A . 6 PRO N 1 1 9 4110 1 1 6 PRO O O -3.448 -2.832 -12.765 1.00 . A A . 6 PRO O 1 1 9 4111 1 1 7 ALA C C -4.196 -0.360 -9.366 1.00 . A A . 7 ALA C 1 1 9 4112 1 1 7 ALA CA C -3.678 -1.299 -10.458 1.00 . A A . 7 ALA CA 1 1 9 4113 1 1 7 ALA CB C -2.425 -0.755 -11.148 1.00 . A A . 7 ALA CB 1 1 9 4114 1 1 7 ALA H H -5.589 -1.050 -11.249 1.00 . A A . 7 ALA H 1 1 9 4115 1 1 7 ALA HA H -3.442 -2.266 -10.013 1.00 . A A . 7 ALA HA 1 1 9 4116 1 1 7 ALA HB1 H -1.754 -0.330 -10.401 1.00 . A A . 7 ALA HB1 1 1 9 4117 1 1 7 ALA HB2 H -1.918 -1.566 -11.672 1.00 . A A . 7 ALA HB2 1 1 9 4118 1 1 7 ALA HB3 H -2.710 0.017 -11.862 1.00 . A A . 7 ALA HB3 1 1 9 4119 1 1 7 ALA N N -4.723 -1.510 -11.445 1.00 . A A . 7 ALA N 1 1 9 4120 1 1 7 ALA O O -4.964 0.558 -9.646 1.00 . A A . 7 ALA O 1 1 9 4121 1 1 8 CYS C C -5.682 0.074 -6.863 1.00 . A A . 8 CYS C 1 1 9 4122 1 1 8 CYS CA C -4.163 0.186 -7.010 1.00 . A A . 8 CYS CA 1 1 9 4123 1 1 8 CYS CB C -3.710 1.640 -7.160 1.00 . A A . 8 CYS CB 1 1 9 4124 1 1 8 CYS H H -3.129 -1.373 -7.926 1.00 . A A . 8 CYS H 1 1 9 4125 1 1 8 CYS HA H -3.658 -0.223 -6.135 1.00 . A A . 8 CYS HA 1 1 9 4126 1 1 8 CYS HB2 H -3.890 1.983 -8.178 1.00 . A A . 8 CYS HB2 1 1 9 4127 1 1 8 CYS HB3 H -4.293 2.281 -6.499 1.00 . A A . 8 CYS HB3 1 1 9 4128 1 1 8 CYS HG H -1.701 2.848 -7.523 1.00 . A A . 8 CYS HG 1 1 9 4129 1 1 8 CYS N N -3.754 -0.624 -8.145 1.00 . A A . 8 CYS N 1 1 9 4130 1 1 8 CYS O O -6.427 0.811 -7.508 1.00 . A A . 8 CYS O 1 1 9 4131 1 1 8 CYS SG S -1.930 1.784 -6.758 1.00 . A A . 8 CYS SG 1 1 9 4132 1 1 9 PRO C C -8.108 0.018 -4.877 1.00 . A A . 9 PRO C 1 1 9 4133 1 1 9 PRO CA C -7.523 -1.095 -5.749 1.00 . A A . 9 PRO CA 1 1 9 4134 1 1 9 PRO CB C -7.605 -2.466 -5.098 1.00 . A A . 9 PRO CB 1 1 9 4135 1 1 9 PRO CD C -5.252 -1.767 -5.208 1.00 . A A . 9 PRO CD 1 1 9 4136 1 1 9 PRO CG C -6.210 -2.764 -4.575 1.00 . A A . 9 PRO CG 1 1 9 4137 1 1 9 PRO HA H -8.030 -1.062 -6.611 1.00 . A A . 9 PRO HA 1 1 9 4138 1 1 9 PRO HB2 H -8.335 -2.470 -4.289 1.00 . A A . 9 PRO HB2 1 1 9 4139 1 1 9 PRO HB3 H -7.923 -3.221 -5.817 1.00 . A A . 9 PRO HB3 1 1 9 4140 1 1 9 PRO HD2 H -4.695 -1.217 -4.450 1.00 . A A . 9 PRO HD2 1 1 9 4141 1 1 9 PRO HD3 H -4.520 -2.269 -5.841 1.00 . A A . 9 PRO HD3 1 1 9 4142 1 1 9 PRO HG2 H -6.183 -2.681 -3.489 1.00 . A A . 9 PRO HG2 1 1 9 4143 1 1 9 PRO HG3 H -5.918 -3.784 -4.825 1.00 . A A . 9 PRO HG3 1 1 9 4144 1 1 9 PRO N N -6.106 -0.877 -5.989 1.00 . A A . 9 PRO N 1 1 9 4145 1 1 9 PRO O O -7.505 1.080 -4.731 1.00 . A A . 9 PRO O 1 1 9 4146 1 1 10 LYS C C -10.056 0.131 -2.048 1.00 . A A . 10 LYS C 1 1 9 4147 1 1 10 LYS CA C -9.950 0.699 -3.465 1.00 . A A . 10 LYS CA 1 1 9 4148 1 1 10 LYS CB C -11.298 1.100 -4.069 1.00 . A A . 10 LYS CB 1 1 9 4149 1 1 10 LYS CD C -11.922 3.518 -4.419 1.00 . A A . 10 LYS CD 1 1 9 4150 1 1 10 LYS CE C -12.722 4.691 -3.850 1.00 . A A . 10 LYS CE 1 1 9 4151 1 1 10 LYS CG C -11.837 2.371 -3.410 1.00 . A A . 10 LYS CG 1 1 9 4152 1 1 10 LYS H H -9.760 -1.131 -4.443 1.00 . A A . 10 LYS H 1 1 9 4153 1 1 10 LYS HA H -9.332 1.596 -3.433 1.00 . A A . 10 LYS HA 1 1 9 4154 1 1 10 LYS HB2 H -11.187 1.261 -5.142 1.00 . A A . 10 LYS HB2 1 1 9 4155 1 1 10 LYS HB3 H -12.014 0.288 -3.942 1.00 . A A . 10 LYS HB3 1 1 9 4156 1 1 10 LYS HD2 H -10.917 3.851 -4.682 1.00 . A A . 10 LYS HD2 1 1 9 4157 1 1 10 LYS HD3 H -12.391 3.165 -5.338 1.00 . A A . 10 LYS HD3 1 1 9 4158 1 1 10 LYS HE2 H -12.596 4.734 -2.768 1.00 . A A . 10 LYS HE2 1 1 9 4159 1 1 10 LYS HE3 H -12.339 5.629 -4.252 1.00 . A A . 10 LYS HE3 1 1 9 4160 1 1 10 LYS HG2 H -12.825 2.177 -2.992 1.00 . A A . 10 LYS HG2 1 1 9 4161 1 1 10 LYS HG3 H -11.191 2.658 -2.581 1.00 . A A . 10 LYS HG3 1 1 9 4162 1 1 10 LYS HZ1 H -14.634 5.402 -3.966 1.00 . A A . 10 LYS HZ1 1 1 9 4163 1 1 10 LYS HZ2 H -14.254 4.353 -5.159 1.00 . A A . 10 LYS HZ2 1 1 9 4164 1 1 10 LYS HZ3 H -14.551 3.802 -3.650 1.00 . A A . 10 LYS HZ3 1 1 9 4165 1 1 10 LYS N N -9.277 -0.265 -4.319 1.00 . A A . 10 LYS N 1 1 9 4166 1 1 10 LYS NZ N -14.157 4.551 -4.183 1.00 . A A . 10 LYS NZ 1 1 9 4167 1 1 10 LYS O O -11.155 -0.025 -1.519 1.00 . A A . 10 LYS O 1 1 9 4168 1 1 11 ARG C C -7.394 -0.914 0.305 1.00 . A A . 11 ARG C 1 1 9 4169 1 1 11 ARG CA C -8.847 -0.708 -0.129 1.00 . A A . 11 ARG CA 1 1 9 4170 1 1 11 ARG CB C -9.591 -2.042 -0.048 1.00 . A A . 11 ARG CB 1 1 9 4171 1 1 11 ARG CD C -9.726 -4.007 1.527 1.00 . A A . 11 ARG CD 1 1 9 4172 1 1 11 ARG CG C -9.770 -2.483 1.406 1.00 . A A . 11 ARG CG 1 1 9 4173 1 1 11 ARG CZ C -7.390 -4.570 2.187 1.00 . A A . 11 ARG CZ 1 1 9 4174 1 1 11 ARG H H -8.009 -0.031 -1.912 1.00 . A A . 11 ARG H 1 1 9 4175 1 1 11 ARG HA H -9.340 0.038 0.494 1.00 . A A . 11 ARG HA 1 1 9 4176 1 1 11 ARG HB2 H -10.566 -1.949 -0.526 1.00 . A A . 11 ARG HB2 1 1 9 4177 1 1 11 ARG HB3 H -9.038 -2.805 -0.597 1.00 . A A . 11 ARG HB3 1 1 9 4178 1 1 11 ARG HD2 H -10.042 -4.310 2.525 1.00 . A A . 11 ARG HD2 1 1 9 4179 1 1 11 ARG HD3 H -10.425 -4.456 0.821 1.00 . A A . 11 ARG HD3 1 1 9 4180 1 1 11 ARG HE H -8.135 -4.792 0.331 1.00 . A A . 11 ARG HE 1 1 9 4181 1 1 11 ARG HG2 H -8.985 -2.043 2.022 1.00 . A A . 11 ARG HG2 1 1 9 4182 1 1 11 ARG HG3 H -10.721 -2.111 1.788 1.00 . A A . 11 ARG HG3 1 1 9 4183 1 1 11 ARG HH11 H -8.546 -3.844 3.694 1.00 . A A . 11 ARG HH11 1 1 9 4184 1 1 11 ARG HH12 H -6.920 -4.240 4.138 1.00 . A A . 11 ARG HH12 1 1 9 4185 1 1 11 ARG HH21 H -5.989 -5.315 0.915 1.00 . A A . 11 ARG HH21 1 1 9 4186 1 1 11 ARG HH22 H -5.455 -5.082 2.547 1.00 . A A . 11 ARG HH22 1 1 9 4187 1 1 11 ARG N N -8.898 -0.161 -1.475 1.00 . A A . 11 ARG N 1 1 9 4188 1 1 11 ARG NE N -8.355 -4.497 1.260 1.00 . A A . 11 ARG NE 1 1 9 4189 1 1 11 ARG NH1 N -7.640 -4.185 3.446 1.00 . A A . 11 ARG NH1 1 1 9 4190 1 1 11 ARG NH2 N -6.175 -5.028 1.855 1.00 . A A . 11 ARG NH2 1 1 9 4191 1 1 11 ARG O O -7.053 -0.700 1.467 1.00 . A A . 11 ARG O 1 1 9 4192 1 1 12 PHE C C -4.430 -0.250 -0.127 1.00 . A A . 12 PHE C 1 1 9 4193 1 1 12 PHE CA C -5.169 -1.565 -0.384 1.00 . A A . 12 PHE CA 1 1 9 4194 1 1 12 PHE CB C -4.582 -2.231 -1.631 1.00 . A A . 12 PHE CB 1 1 9 4195 1 1 12 PHE CD1 C -2.556 -3.417 -0.759 1.00 . A A . 12 PHE CD1 1 1 9 4196 1 1 12 PHE CD2 C -2.237 -1.676 -2.313 1.00 . A A . 12 PHE CD2 1 1 9 4197 1 1 12 PHE CE1 C -1.152 -3.620 -0.698 1.00 . A A . 12 PHE CE1 1 1 9 4198 1 1 12 PHE CE2 C -0.833 -1.879 -2.253 1.00 . A A . 12 PHE CE2 1 1 9 4199 1 1 12 PHE CG C -3.069 -2.449 -1.565 1.00 . A A . 12 PHE CG 1 1 9 4200 1 1 12 PHE CZ C -0.320 -2.847 -1.446 1.00 . A A . 12 PHE CZ 1 1 9 4201 1 1 12 PHE H H -6.862 -1.499 -1.596 1.00 . A A . 12 PHE H 1 1 9 4202 1 1 12 PHE HA H -5.111 -2.193 0.505 1.00 . A A . 12 PHE HA 1 1 9 4203 1 1 12 PHE HB2 H -5.072 -3.193 -1.781 1.00 . A A . 12 PHE HB2 1 1 9 4204 1 1 12 PHE HB3 H -4.813 -1.616 -2.501 1.00 . A A . 12 PHE HB3 1 1 9 4205 1 1 12 PHE HD1 H -3.223 -4.037 -0.159 1.00 . A A . 12 PHE HD1 1 1 9 4206 1 1 12 PHE HD2 H -2.649 -0.901 -2.960 1.00 . A A . 12 PHE HD2 1 1 9 4207 1 1 12 PHE HE1 H -0.741 -4.395 -0.052 1.00 . A A . 12 PHE HE1 1 1 9 4208 1 1 12 PHE HE2 H -0.167 -1.259 -2.853 1.00 . A A . 12 PHE HE2 1 1 9 4209 1 1 12 PHE HZ H 0.758 -3.002 -1.400 1.00 . A A . 12 PHE HZ 1 1 9 4210 1 1 12 PHE N N -6.577 -1.328 -0.653 1.00 . A A . 12 PHE N 1 1 9 4211 1 1 12 PHE O O -3.611 -0.163 0.786 1.00 . A A . 12 PHE O 1 1 9 4212 1 1 13 MET C C -4.153 2.529 0.631 1.00 . A A . 13 MET C 1 1 9 4213 1 1 13 MET CA C -4.124 2.046 -0.821 1.00 . A A . 13 MET CA 1 1 9 4214 1 1 13 MET CB C -4.861 3.052 -1.708 1.00 . A A . 13 MET CB 1 1 9 4215 1 1 13 MET CE C -8.189 3.936 -3.395 1.00 . A A . 13 MET CE 1 1 9 4216 1 1 13 MET CG C -6.364 2.768 -1.727 1.00 . A A . 13 MET CG 1 1 9 4217 1 1 13 MET H H -5.415 0.661 -1.688 1.00 . A A . 13 MET H 1 1 9 4218 1 1 13 MET HA H -3.093 1.911 -1.146 1.00 . A A . 13 MET HA 1 1 9 4219 1 1 13 MET HB2 H -4.683 4.063 -1.342 1.00 . A A . 13 MET HB2 1 1 9 4220 1 1 13 MET HB3 H -4.465 3.006 -2.723 1.00 . A A . 13 MET HB3 1 1 9 4221 1 1 13 MET HE1 H -9.180 3.568 -3.131 1.00 . A A . 13 MET HE1 1 1 9 4222 1 1 13 MET HE2 H -8.286 4.845 -3.990 1.00 . A A . 13 MET HE2 1 1 9 4223 1 1 13 MET HE3 H -7.662 3.178 -3.974 1.00 . A A . 13 MET HE3 1 1 9 4224 1 1 13 MET HG2 H -6.605 2.094 -2.549 1.00 . A A . 13 MET HG2 1 1 9 4225 1 1 13 MET HG3 H -6.660 2.266 -0.806 1.00 . A A . 13 MET HG3 1 1 9 4226 1 1 13 MET N N -4.747 0.740 -0.948 1.00 . A A . 13 MET N 1 1 9 4227 1 1 13 MET O O -3.279 3.283 1.055 1.00 . A A . 13 MET O 1 1 9 4228 1 1 13 MET SD S -7.272 4.295 -1.907 1.00 . A A . 13 MET SD 1 1 9 4229 1 1 14 ARG C C -4.524 1.498 3.644 1.00 . A A . 14 ARG C 1 1 9 4230 1 1 14 ARG CA C -5.320 2.448 2.747 1.00 . A A . 14 ARG CA 1 1 9 4231 1 1 14 ARG CB C -6.791 2.420 3.166 1.00 . A A . 14 ARG CB 1 1 9 4232 1 1 14 ARG CD C -8.525 2.125 1.359 1.00 . A A . 14 ARG CD 1 1 9 4233 1 1 14 ARG CG C -7.669 3.129 2.133 1.00 . A A . 14 ARG CG 1 1 9 4234 1 1 14 ARG CZ C -10.428 3.562 0.635 1.00 . A A . 14 ARG CZ 1 1 9 4235 1 1 14 ARG H H -5.873 1.459 0.999 1.00 . A A . 14 ARG H 1 1 9 4236 1 1 14 ARG HA H -4.929 3.464 2.807 1.00 . A A . 14 ARG HA 1 1 9 4237 1 1 14 ARG HB2 H -7.121 1.388 3.281 1.00 . A A . 14 ARG HB2 1 1 9 4238 1 1 14 ARG HB3 H -6.906 2.902 4.137 1.00 . A A . 14 ARG HB3 1 1 9 4239 1 1 14 ARG HD2 H -7.885 1.388 0.872 1.00 . A A . 14 ARG HD2 1 1 9 4240 1 1 14 ARG HD3 H -9.172 1.580 2.046 1.00 . A A . 14 ARG HD3 1 1 9 4241 1 1 14 ARG HE H -9.068 2.757 -0.612 1.00 . A A . 14 ARG HE 1 1 9 4242 1 1 14 ARG HG2 H -8.314 3.852 2.633 1.00 . A A . 14 ARG HG2 1 1 9 4243 1 1 14 ARG HG3 H -7.041 3.688 1.439 1.00 . A A . 14 ARG HG3 1 1 9 4244 1 1 14 ARG HH11 H -10.324 3.236 2.640 1.00 . A A . 14 ARG HH11 1 1 9 4245 1 1 14 ARG HH12 H -11.642 4.234 2.121 1.00 . A A . 14 ARG HH12 1 1 9 4246 1 1 14 ARG HH21 H -10.806 4.072 -1.297 1.00 . A A . 14 ARG HH21 1 1 9 4247 1 1 14 ARG HH22 H -11.918 4.712 -0.133 1.00 . A A . 14 ARG HH22 1 1 9 4248 1 1 14 ARG N N -5.166 2.073 1.352 1.00 . A A . 14 ARG N 1 1 9 4249 1 1 14 ARG NE N -9.342 2.830 0.347 1.00 . A A . 14 ARG NE 1 1 9 4250 1 1 14 ARG NH1 N -10.832 3.688 1.906 1.00 . A A . 14 ARG NH1 1 1 9 4251 1 1 14 ARG NH2 N -11.108 4.167 -0.348 1.00 . A A . 14 ARG NH2 1 1 9 4252 1 1 14 ARG O O -3.772 1.940 4.511 1.00 . A A . 14 ARG O 1 1 9 4253 1 1 15 SER C C -2.514 -0.696 3.959 1.00 . A A . 15 SER C 1 1 9 4254 1 1 15 SER CA C -4.025 -0.808 4.178 1.00 . A A . 15 SER CA 1 1 9 4255 1 1 15 SER CB C -4.512 -2.210 3.807 1.00 . A A . 15 SER CB 1 1 9 4256 1 1 15 SER H H -5.328 -0.143 2.696 1.00 . A A . 15 SER H 1 1 9 4257 1 1 15 SER HA H -4.277 -0.600 5.218 1.00 . A A . 15 SER HA 1 1 9 4258 1 1 15 SER HB2 H -4.503 -2.322 2.722 1.00 . A A . 15 SER HB2 1 1 9 4259 1 1 15 SER HB3 H -3.824 -2.952 4.210 1.00 . A A . 15 SER HB3 1 1 9 4260 1 1 15 SER HG H -5.955 -2.014 5.180 1.00 . A A . 15 SER HG 1 1 9 4261 1 1 15 SER N N -4.716 0.209 3.403 1.00 . A A . 15 SER N 1 1 9 4262 1 1 15 SER O O -1.732 -1.312 4.681 1.00 . A A . 15 SER O 1 1 9 4263 1 1 15 SER OG O -5.826 -2.465 4.297 1.00 . A A . 15 SER OG 1 1 9 4264 1 1 16 ASP C C -0.344 1.723 3.003 1.00 . A A . 16 ASP C 1 1 9 4265 1 1 16 ASP CA C -0.748 0.294 2.637 1.00 . A A . 16 ASP CA 1 1 9 4266 1 1 16 ASP CB C -0.494 0.100 1.140 1.00 . A A . 16 ASP CB 1 1 9 4267 1 1 16 ASP CG C 0.162 -1.230 0.763 1.00 . A A . 16 ASP CG 1 1 9 4268 1 1 16 ASP H H -2.793 0.591 2.377 1.00 . A A . 16 ASP H 1 1 9 4269 1 1 16 ASP HA H -0.210 -0.454 3.219 1.00 . A A . 16 ASP HA 1 1 9 4270 1 1 16 ASP HB2 H -1.444 0.182 0.612 1.00 . A A . 16 ASP HB2 1 1 9 4271 1 1 16 ASP HB3 H 0.138 0.914 0.786 1.00 . A A . 16 ASP HB3 1 1 9 4272 1 1 16 ASP N N -2.150 0.094 2.960 1.00 . A A . 16 ASP N 1 1 9 4273 1 1 16 ASP O O 0.840 2.015 3.165 1.00 . A A . 16 ASP O 1 1 9 4274 1 1 16 ASP OD1 O -0.277 -2.258 1.322 1.00 . A A . 16 ASP OD1 1 1 9 4275 1 1 16 ASP OD2 O 1.087 -1.188 -0.077 1.00 . A A . 16 ASP OD2 1 1 9 4276 1 1 17 ALA C C -1.085 4.114 4.991 1.00 . A A . 17 ALA C 1 1 9 4277 1 1 17 ALA CA C -1.114 3.968 3.469 1.00 . A A . 17 ALA CA 1 1 9 4278 1 1 17 ALA CB C -2.188 4.844 2.820 1.00 . A A . 17 ALA CB 1 1 9 4279 1 1 17 ALA H H -2.310 2.331 2.991 1.00 . A A . 17 ALA H 1 1 9 4280 1 1 17 ALA HA H -0.141 4.249 3.066 1.00 . A A . 17 ALA HA 1 1 9 4281 1 1 17 ALA HB1 H -3.168 4.393 2.976 1.00 . A A . 17 ALA HB1 1 1 9 4282 1 1 17 ALA HB2 H -2.168 5.836 3.270 1.00 . A A . 17 ALA HB2 1 1 9 4283 1 1 17 ALA HB3 H -1.992 4.927 1.751 1.00 . A A . 17 ALA HB3 1 1 9 4284 1 1 17 ALA N N -1.350 2.576 3.124 1.00 . A A . 17 ALA N 1 1 9 4285 1 1 17 ALA O O -1.331 5.197 5.520 1.00 . A A . 17 ALA O 1 1 9 4286 1 1 18 LEU C C 0.036 1.750 7.570 1.00 . A A . 18 LEU C 1 1 9 4287 1 1 18 LEU CA C -0.716 2.998 7.106 1.00 . A A . 18 LEU CA 1 1 9 4288 1 1 18 LEU CB C -2.118 3.131 7.705 1.00 . A A . 18 LEU CB 1 1 9 4289 1 1 18 LEU CD1 C -2.441 0.727 7.015 1.00 . A A . 18 LEU CD1 1 1 9 4290 1 1 18 LEU CD2 C -2.616 1.388 9.458 1.00 . A A . 18 LEU CD2 1 1 9 4291 1 1 18 LEU CG C -2.844 1.819 8.008 1.00 . A A . 18 LEU CG 1 1 9 4292 1 1 18 LEU H H -0.582 2.130 5.217 1.00 . A A . 18 LEU H 1 1 9 4293 1 1 18 LEU HA H -0.150 3.878 7.413 1.00 . A A . 18 LEU HA 1 1 9 4294 1 1 18 LEU HB2 H -2.043 3.704 8.630 1.00 . A A . 18 LEU HB2 1 1 9 4295 1 1 18 LEU HB3 H -2.732 3.713 7.018 1.00 . A A . 18 LEU HB3 1 1 9 4296 1 1 18 LEU HD11 H -2.061 1.187 6.103 1.00 . A A . 18 LEU HD11 1 1 9 4297 1 1 18 LEU HD12 H -1.665 0.102 7.458 1.00 . A A . 18 LEU HD12 1 1 9 4298 1 1 18 LEU HD13 H -3.310 0.113 6.778 1.00 . A A . 18 LEU HD13 1 1 9 4299 1 1 18 LEU HD21 H -1.988 2.123 9.961 1.00 . A A . 18 LEU HD21 1 1 9 4300 1 1 18 LEU HD22 H -3.575 1.317 9.972 1.00 . A A . 18 LEU HD22 1 1 9 4301 1 1 18 LEU HD23 H -2.123 0.416 9.475 1.00 . A A . 18 LEU HD23 1 1 9 4302 1 1 18 LEU HG H -3.915 1.985 7.886 1.00 . A A . 18 LEU HG 1 1 9 4303 1 1 18 LEU N N -0.781 3.007 5.654 1.00 . A A . 18 LEU N 1 1 9 4304 1 1 18 LEU O O -0.202 1.251 8.669 1.00 . A A . 18 LEU O 1 1 9 4305 1 1 19 SER C C 3.138 0.264 6.476 1.00 . A A . 19 SER C 1 1 9 4306 1 1 19 SER CA C 1.717 0.101 7.020 1.00 . A A . 19 SER CA 1 1 9 4307 1 1 19 SER CB C 1.070 -1.160 6.444 1.00 . A A . 19 SER CB 1 1 9 4308 1 1 19 SER H H 1.116 1.694 5.819 1.00 . A A . 19 SER H 1 1 9 4309 1 1 19 SER HA H 1.729 0.038 8.108 1.00 . A A . 19 SER HA 1 1 9 4310 1 1 19 SER HB2 H 0.519 -0.904 5.539 1.00 . A A . 19 SER HB2 1 1 9 4311 1 1 19 SER HB3 H 1.847 -1.867 6.154 1.00 . A A . 19 SER HB3 1 1 9 4312 1 1 19 SER HG H 0.668 -1.959 8.234 1.00 . A A . 19 SER HG 1 1 9 4313 1 1 19 SER N N 0.929 1.282 6.711 1.00 . A A . 19 SER N 1 1 9 4314 1 1 19 SER O O 4.111 0.039 7.194 1.00 . A A . 19 SER O 1 1 9 4315 1 1 19 SER OG O 0.188 -1.780 7.376 1.00 . A A . 19 SER OG 1 1 9 4316 1 1 20 LYS C C 5.002 2.263 4.856 1.00 . A A . 20 LYS C 1 1 9 4317 1 1 20 LYS CA C 4.498 0.849 4.563 1.00 . A A . 20 LYS CA 1 1 9 4318 1 1 20 LYS CB C 4.400 0.528 3.070 1.00 . A A . 20 LYS CB 1 1 9 4319 1 1 20 LYS CD C 3.741 -1.846 3.612 1.00 . A A . 20 LYS CD 1 1 9 4320 1 1 20 LYS CE C 4.177 -3.311 3.539 1.00 . A A . 20 LYS CE 1 1 9 4321 1 1 20 LYS CG C 4.687 -0.952 2.808 1.00 . A A . 20 LYS CG 1 1 9 4322 1 1 20 LYS H H 2.416 0.834 4.634 1.00 . A A . 20 LYS H 1 1 9 4323 1 1 20 LYS HA H 5.197 0.135 5.001 1.00 . A A . 20 LYS HA 1 1 9 4324 1 1 20 LYS HB2 H 3.404 0.779 2.705 1.00 . A A . 20 LYS HB2 1 1 9 4325 1 1 20 LYS HB3 H 5.107 1.144 2.515 1.00 . A A . 20 LYS HB3 1 1 9 4326 1 1 20 LYS HD2 H 3.723 -1.519 4.652 1.00 . A A . 20 LYS HD2 1 1 9 4327 1 1 20 LYS HD3 H 2.726 -1.745 3.228 1.00 . A A . 20 LYS HD3 1 1 9 4328 1 1 20 LYS HE2 H 3.302 -3.952 3.434 1.00 . A A . 20 LYS HE2 1 1 9 4329 1 1 20 LYS HE3 H 4.795 -3.469 2.655 1.00 . A A . 20 LYS HE3 1 1 9 4330 1 1 20 LYS HG2 H 4.578 -1.164 1.744 1.00 . A A . 20 LYS HG2 1 1 9 4331 1 1 20 LYS HG3 H 5.720 -1.178 3.073 1.00 . A A . 20 LYS HG3 1 1 9 4332 1 1 20 LYS HZ1 H 5.652 -4.338 4.511 1.00 . A A . 20 LYS HZ1 1 1 9 4333 1 1 20 LYS HZ2 H 5.345 -2.871 5.157 1.00 . A A . 20 LYS HZ2 1 1 9 4334 1 1 20 LYS HZ3 H 4.312 -4.109 5.415 1.00 . A A . 20 LYS HZ3 1 1 9 4335 1 1 20 LYS N N 3.213 0.653 5.211 1.00 . A A . 20 LYS N 1 1 9 4336 1 1 20 LYS NZ N 4.933 -3.688 4.754 1.00 . A A . 20 LYS NZ 1 1 9 4337 1 1 20 LYS O O 5.472 2.958 3.956 1.00 . A A . 20 LYS O 1 1 9 4338 1 1 21 HIS C C 5.274 4.061 8.068 1.00 . A A . 21 HIS C 1 1 9 4339 1 1 21 HIS CA C 5.327 3.967 6.542 1.00 . A A . 21 HIS CA 1 1 9 4340 1 1 21 HIS CB C 4.508 5.059 5.852 1.00 . A A . 21 HIS CB 1 1 9 4341 1 1 21 HIS CD2 C 3.611 6.347 7.942 1.00 . A A . 21 HIS CD2 1 1 9 4342 1 1 21 HIS CE1 C 1.491 6.381 7.401 1.00 . A A . 21 HIS CE1 1 1 9 4343 1 1 21 HIS CG C 3.477 5.710 6.743 1.00 . A A . 21 HIS CG 1 1 9 4344 1 1 21 HIS H H 4.506 2.077 6.845 1.00 . A A . 21 HIS H 1 1 9 4345 1 1 21 HIS HA H 6.362 4.072 6.216 1.00 . A A . 21 HIS HA 1 1 9 4346 1 1 21 HIS HB2 H 5.186 5.826 5.477 1.00 . A A . 21 HIS HB2 1 1 9 4347 1 1 21 HIS HB3 H 4.004 4.629 4.986 1.00 . A A . 21 HIS HB3 1 1 9 4348 1 1 21 HIS HD1 H 1.710 5.360 5.608 1.00 . A A . 21 HIS HD1 1 1 9 4349 1 1 21 HIS HD2 H 4.545 6.498 8.483 1.00 . A A . 21 HIS HD2 1 1 9 4350 1 1 21 HIS HE1 H 0.419 6.572 7.445 1.00 . A A . 21 HIS HE1 1 1 9 4351 1 1 21 HIS HE2 H 2.205 7.198 9.209 1.00 . A A . 21 HIS HE2 1 1 9 4352 1 1 21 HIS N N 4.889 2.648 6.119 1.00 . A A . 21 HIS N 1 1 9 4353 1 1 21 HIS ND1 N 2.130 5.747 6.429 1.00 . A A . 21 HIS ND1 1 1 9 4354 1 1 21 HIS NE2 N 2.410 6.753 8.338 1.00 . A A . 21 HIS NE2 1 1 9 4355 1 1 21 HIS O O 6.159 4.648 8.689 1.00 . A A . 21 HIS O 1 1 9 4356 1 1 22 ILE C C 4.880 2.362 10.692 1.00 . A A . 22 ILE C 1 1 9 4357 1 1 22 ILE CA C 4.046 3.484 10.070 1.00 . A A . 22 ILE CA 1 1 9 4358 1 1 22 ILE CB C 2.559 3.413 10.425 1.00 . A A . 22 ILE CB 1 1 9 4359 1 1 22 ILE CD1 C 0.714 1.805 11.032 1.00 . A A . 22 ILE CD1 1 1 9 4360 1 1 22 ILE CG1 C 2.024 1.989 10.263 1.00 . A A . 22 ILE CG1 1 1 9 4361 1 1 22 ILE CG2 C 1.753 4.425 9.608 1.00 . A A . 22 ILE CG2 1 1 9 4362 1 1 22 ILE H H 3.511 2.999 8.116 1.00 . A A . 22 ILE H 1 1 9 4363 1 1 22 ILE HA H 4.421 4.438 10.440 1.00 . A A . 22 ILE HA 1 1 9 4364 1 1 22 ILE HB H 2.445 3.683 11.475 1.00 . A A . 22 ILE HB 1 1 9 4365 1 1 22 ILE HD11 H -0.059 2.432 10.588 1.00 . A A . 22 ILE HD11 1 1 9 4366 1 1 22 ILE HD12 H 0.408 0.760 10.984 1.00 . A A . 22 ILE HD12 1 1 9 4367 1 1 22 ILE HD13 H 0.861 2.093 12.074 1.00 . A A . 22 ILE HD13 1 1 9 4368 1 1 22 ILE HG12 H 1.862 1.775 9.207 1.00 . A A . 22 ILE HG12 1 1 9 4369 1 1 22 ILE HG13 H 2.765 1.275 10.623 1.00 . A A . 22 ILE HG13 1 1 9 4370 1 1 22 ILE HG21 H 2.161 4.486 8.599 1.00 . A A . 22 ILE HG21 1 1 9 4371 1 1 22 ILE HG22 H 0.712 4.105 9.560 1.00 . A A . 22 ILE HG22 1 1 9 4372 1 1 22 ILE HG23 H 1.811 5.404 10.083 1.00 . A A . 22 ILE HG23 1 1 9 4373 1 1 22 ILE N N 4.227 3.474 8.629 1.00 . A A . 22 ILE N 1 1 9 4374 1 1 22 ILE O O 5.388 2.504 11.803 1.00 . A A . 22 ILE O 1 1 9 4375 1 1 23 LYS C C 7.229 0.307 10.026 1.00 . A A . 23 LYS C 1 1 9 4376 1 1 23 LYS CA C 5.760 0.126 10.413 1.00 . A A . 23 LYS CA 1 1 9 4377 1 1 23 LYS CB C 5.143 -1.175 9.894 1.00 . A A . 23 LYS CB 1 1 9 4378 1 1 23 LYS CD C 4.032 -1.580 12.121 1.00 . A A . 23 LYS CD 1 1 9 4379 1 1 23 LYS CE C 3.395 -0.391 12.842 1.00 . A A . 23 LYS CE 1 1 9 4380 1 1 23 LYS CG C 3.825 -1.480 10.609 1.00 . A A . 23 LYS CG 1 1 9 4381 1 1 23 LYS H H 4.580 1.164 9.045 1.00 . A A . 23 LYS H 1 1 9 4382 1 1 23 LYS HA H 5.689 0.105 11.500 1.00 . A A . 23 LYS HA 1 1 9 4383 1 1 23 LYS HB2 H 4.970 -1.097 8.821 1.00 . A A . 23 LYS HB2 1 1 9 4384 1 1 23 LYS HB3 H 5.842 -1.998 10.045 1.00 . A A . 23 LYS HB3 1 1 9 4385 1 1 23 LYS HD2 H 3.597 -2.509 12.490 1.00 . A A . 23 LYS HD2 1 1 9 4386 1 1 23 LYS HD3 H 5.098 -1.617 12.345 1.00 . A A . 23 LYS HD3 1 1 9 4387 1 1 23 LYS HE2 H 4.124 0.413 12.945 1.00 . A A . 23 LYS HE2 1 1 9 4388 1 1 23 LYS HE3 H 2.569 0.002 12.249 1.00 . A A . 23 LYS HE3 1 1 9 4389 1 1 23 LYS HG2 H 3.099 -0.697 10.389 1.00 . A A . 23 LYS HG2 1 1 9 4390 1 1 23 LYS HG3 H 3.411 -2.415 10.232 1.00 . A A . 23 LYS HG3 1 1 9 4391 1 1 23 LYS HZ1 H 2.799 -1.791 14.207 1.00 . A A . 23 LYS HZ1 1 1 9 4392 1 1 23 LYS HZ2 H 3.563 -0.511 14.876 1.00 . A A . 23 LYS HZ2 1 1 9 4393 1 1 23 LYS HZ3 H 2.022 -0.362 14.356 1.00 . A A . 23 LYS HZ3 1 1 9 4394 1 1 23 LYS N N 4.996 1.272 9.948 1.00 . A A . 23 LYS N 1 1 9 4395 1 1 23 LYS NZ N 2.905 -0.797 14.179 1.00 . A A . 23 LYS NZ 1 1 9 4396 1 1 23 LYS O O 8.021 -0.628 10.127 1.00 . A A . 23 LYS O 1 1 9 4397 1 1 24 THR C C 9.015 3.303 8.778 1.00 . A A . 24 THR C 1 1 9 4398 1 1 24 THR CA C 8.908 1.833 9.189 1.00 . A A . 24 THR CA 1 1 9 4399 1 1 24 THR CB C 9.310 0.862 8.077 1.00 . A A . 24 THR CB 1 1 9 4400 1 1 24 THR CG2 C 8.711 1.242 6.722 1.00 . A A . 24 THR CG2 1 1 9 4401 1 1 24 THR H H 6.898 2.273 9.512 1.00 . A A . 24 THR H 1 1 9 4402 1 1 24 THR HA H 9.562 1.693 10.049 1.00 . A A . 24 THR HA 1 1 9 4403 1 1 24 THR HB H 9.051 -0.163 8.343 1.00 . A A . 24 THR HB 1 1 9 4404 1 1 24 THR HG1 H 11.175 0.988 8.792 1.00 . A A . 24 THR HG1 1 1 9 4405 1 1 24 THR HG21 H 8.850 0.420 6.019 1.00 . A A . 24 THR HG21 1 1 9 4406 1 1 24 THR HG22 H 7.646 1.444 6.839 1.00 . A A . 24 THR HG22 1 1 9 4407 1 1 24 THR HG23 H 9.210 2.134 6.341 1.00 . A A . 24 THR HG23 1 1 9 4408 1 1 24 THR N N 7.548 1.518 9.591 1.00 . A A . 24 THR N 1 1 9 4409 1 1 24 THR O O 8.389 3.728 7.808 1.00 . A A . 24 THR O 1 1 9 4410 1 1 24 THR OG1 O 10.708 1.082 7.913 1.00 . A A . 24 THR OG1 1 1 9 4411 1 1 25 ALA C C 11.324 5.644 8.506 1.00 . A A . 25 ALA C 1 1 9 4412 1 1 25 ALA CA C 10.010 5.454 9.266 1.00 . A A . 25 ALA CA 1 1 9 4413 1 1 25 ALA CB C 9.978 6.236 10.580 1.00 . A A . 25 ALA CB 1 1 9 4414 1 1 25 ALA H H 10.318 3.687 10.325 1.00 . A A . 25 ALA H 1 1 9 4415 1 1 25 ALA HA H 9.184 5.789 8.637 1.00 . A A . 25 ALA HA 1 1 9 4416 1 1 25 ALA HB1 H 10.864 5.996 11.167 1.00 . A A . 25 ALA HB1 1 1 9 4417 1 1 25 ALA HB2 H 9.961 7.305 10.366 1.00 . A A . 25 ALA HB2 1 1 9 4418 1 1 25 ALA HB3 H 9.085 5.965 11.143 1.00 . A A . 25 ALA HB3 1 1 9 4419 1 1 25 ALA N N 9.813 4.040 9.538 1.00 . A A . 25 ALA N 1 1 9 4420 1 1 25 ALA O O 12.315 6.096 9.076 1.00 . A A . 25 ALA O 1 1 9 4421 1 1 26 PHE C C 12.110 5.194 4.914 1.00 . A A . 26 PHE C 1 1 9 4422 1 1 26 PHE CA C 12.465 5.415 6.385 1.00 . A A . 26 PHE CA 1 1 9 4423 1 1 26 PHE CB C 13.451 4.332 6.828 1.00 . A A . 26 PHE CB 1 1 9 4424 1 1 26 PHE CD1 C 11.805 2.683 5.912 1.00 . A A . 26 PHE CD1 1 1 9 4425 1 1 26 PHE CD2 C 13.929 1.890 6.551 1.00 . A A . 26 PHE CD2 1 1 9 4426 1 1 26 PHE CE1 C 11.429 1.368 5.529 1.00 . A A . 26 PHE CE1 1 1 9 4427 1 1 26 PHE CE2 C 13.553 0.575 6.168 1.00 . A A . 26 PHE CE2 1 1 9 4428 1 1 26 PHE CG C 13.047 2.916 6.415 1.00 . A A . 26 PHE CG 1 1 9 4429 1 1 26 PHE CZ C 12.311 0.342 5.665 1.00 . A A . 26 PHE CZ 1 1 9 4430 1 1 26 PHE H H 10.479 4.922 6.773 1.00 . A A . 26 PHE H 1 1 9 4431 1 1 26 PHE HA H 12.850 6.426 6.516 1.00 . A A . 26 PHE HA 1 1 9 4432 1 1 26 PHE HB2 H 14.432 4.556 6.409 1.00 . A A . 26 PHE HB2 1 1 9 4433 1 1 26 PHE HB3 H 13.552 4.369 7.913 1.00 . A A . 26 PHE HB3 1 1 9 4434 1 1 26 PHE HD1 H 11.098 3.505 5.803 1.00 . A A . 26 PHE HD1 1 1 9 4435 1 1 26 PHE HD2 H 14.924 2.077 6.954 1.00 . A A . 26 PHE HD2 1 1 9 4436 1 1 26 PHE HE1 H 10.434 1.181 5.126 1.00 . A A . 26 PHE HE1 1 1 9 4437 1 1 26 PHE HE2 H 14.261 -0.247 6.277 1.00 . A A . 26 PHE HE2 1 1 9 4438 1 1 26 PHE HZ H 12.023 -0.667 5.371 1.00 . A A . 26 PHE HZ 1 1 9 4439 1 1 26 PHE N N 11.289 5.289 7.229 1.00 . A A . 26 PHE N 1 1 9 4440 1 1 26 PHE O O 10.939 5.239 4.541 1.00 . A A . 26 PHE O 1 1 9 4441 1 1 27 ILE C C 13.665 3.438 2.292 1.00 . A A . 27 ILE C 1 1 9 4442 1 1 27 ILE CA C 12.954 4.732 2.695 1.00 . A A . 27 ILE CA 1 1 9 4443 1 1 27 ILE CB C 13.402 5.955 1.892 1.00 . A A . 27 ILE CB 1 1 9 4444 1 1 27 ILE CD1 C 15.579 5.855 0.623 1.00 . A A . 27 ILE CD1 1 1 9 4445 1 1 27 ILE CG1 C 14.919 6.139 1.973 1.00 . A A . 27 ILE CG1 1 1 9 4446 1 1 27 ILE CG2 C 12.648 7.210 2.338 1.00 . A A . 27 ILE CG2 1 1 9 4447 1 1 27 ILE H H 14.092 4.925 4.429 1.00 . A A . 27 ILE H 1 1 9 4448 1 1 27 ILE HA H 11.885 4.607 2.523 1.00 . A A . 27 ILE HA 1 1 9 4449 1 1 27 ILE HB H 13.154 5.786 0.845 1.00 . A A . 27 ILE HB 1 1 9 4450 1 1 27 ILE HD11 H 15.621 4.778 0.458 1.00 . A A . 27 ILE HD11 1 1 9 4451 1 1 27 ILE HD12 H 14.996 6.321 -0.172 1.00 . A A . 27 ILE HD12 1 1 9 4452 1 1 27 ILE HD13 H 16.589 6.264 0.619 1.00 . A A . 27 ILE HD13 1 1 9 4453 1 1 27 ILE HG12 H 15.149 7.157 2.288 1.00 . A A . 27 ILE HG12 1 1 9 4454 1 1 27 ILE HG13 H 15.330 5.471 2.730 1.00 . A A . 27 ILE HG13 1 1 9 4455 1 1 27 ILE HG21 H 11.679 6.924 2.749 1.00 . A A . 27 ILE HG21 1 1 9 4456 1 1 27 ILE HG22 H 13.227 7.730 3.100 1.00 . A A . 27 ILE HG22 1 1 9 4457 1 1 27 ILE HG23 H 12.500 7.868 1.482 1.00 . A A . 27 ILE HG23 1 1 9 4458 1 1 27 ILE N N 13.143 4.960 4.117 1.00 . A A . 27 ILE N 1 1 9 4459 1 1 27 ILE O O 14.866 3.441 2.030 1.00 . A A . 27 ILE O 1 1 9 4460 1 1 28 VAL C C 12.279 0.092 1.632 1.00 . A A . 28 VAL C 1 1 9 4461 1 1 28 VAL CA C 13.432 1.065 1.889 1.00 . A A . 28 VAL CA 1 1 9 4462 1 1 28 VAL CB C 14.398 0.576 2.969 1.00 . A A . 28 VAL CB 1 1 9 4463 1 1 28 VAL CG1 C 14.443 -0.953 3.013 1.00 . A A . 28 VAL CG1 1 1 9 4464 1 1 28 VAL CG2 C 15.796 1.160 2.759 1.00 . A A . 28 VAL CG2 1 1 9 4465 1 1 28 VAL H H 11.915 2.369 2.470 1.00 . A A . 28 VAL H 1 1 9 4466 1 1 28 VAL HA H 13.995 1.192 0.964 1.00 . A A . 28 VAL HA 1 1 9 4467 1 1 28 VAL HB H 14.029 0.928 3.933 1.00 . A A . 28 VAL HB 1 1 9 4468 1 1 28 VAL HG11 H 15.454 -1.279 3.257 1.00 . A A . 28 VAL HG11 1 1 9 4469 1 1 28 VAL HG12 H 13.752 -1.315 3.774 1.00 . A A . 28 VAL HG12 1 1 9 4470 1 1 28 VAL HG13 H 14.157 -1.353 2.041 1.00 . A A . 28 VAL HG13 1 1 9 4471 1 1 28 VAL HG21 H 15.950 1.992 3.447 1.00 . A A . 28 VAL HG21 1 1 9 4472 1 1 28 VAL HG22 H 16.544 0.390 2.949 1.00 . A A . 28 VAL HG22 1 1 9 4473 1 1 28 VAL HG23 H 15.892 1.515 1.733 1.00 . A A . 28 VAL HG23 1 1 9 4474 1 1 28 VAL N N 12.891 2.363 2.255 1.00 . A A . 28 VAL N 1 1 9 4475 1 1 28 VAL O O 12.284 -0.634 0.639 1.00 . A A . 28 VAL O 1 1 9 4476 1 1 29 VAL C C 8.896 0.030 2.752 1.00 . A A . 29 VAL C 1 1 9 4477 1 1 29 VAL CA C 10.163 -0.765 2.431 1.00 . A A . 29 VAL CA 1 1 9 4478 1 1 29 VAL CB C 10.342 -1.992 3.329 1.00 . A A . 29 VAL CB 1 1 9 4479 1 1 29 VAL CG1 C 9.034 -2.775 3.453 1.00 . A A . 29 VAL CG1 1 1 9 4480 1 1 29 VAL CG2 C 11.471 -2.887 2.814 1.00 . A A . 29 VAL CG2 1 1 9 4481 1 1 29 VAL H H 11.324 0.700 3.351 1.00 . A A . 29 VAL H 1 1 9 4482 1 1 29 VAL HA H 10.111 -1.108 1.398 1.00 . A A . 29 VAL HA 1 1 9 4483 1 1 29 VAL HB H 10.619 -1.642 4.323 1.00 . A A . 29 VAL HB 1 1 9 4484 1 1 29 VAL HG11 H 8.551 -2.834 2.478 1.00 . A A . 29 VAL HG11 1 1 9 4485 1 1 29 VAL HG12 H 9.246 -3.781 3.815 1.00 . A A . 29 VAL HG12 1 1 9 4486 1 1 29 VAL HG13 H 8.372 -2.268 4.156 1.00 . A A . 29 VAL HG13 1 1 9 4487 1 1 29 VAL HG21 H 11.674 -2.652 1.770 1.00 . A A . 29 VAL HG21 1 1 9 4488 1 1 29 VAL HG22 H 12.369 -2.716 3.407 1.00 . A A . 29 VAL HG22 1 1 9 4489 1 1 29 VAL HG23 H 11.173 -3.933 2.900 1.00 . A A . 29 VAL HG23 1 1 9 4490 1 1 29 VAL N N 11.320 0.107 2.546 1.00 . A A . 29 VAL N 1 1 9 4491 1 1 29 VAL O O 7.820 -0.545 2.902 1.00 . A A . 29 VAL O 1 1 9 4492 1 1 30 ALA C C 7.313 2.693 1.837 1.00 . A A . 30 ALA C 1 1 9 4493 1 1 30 ALA CA C 7.950 2.221 3.145 1.00 . A A . 30 ALA CA 1 1 9 4494 1 1 30 ALA CB C 8.436 3.385 4.011 1.00 . A A . 30 ALA CB 1 1 9 4495 1 1 30 ALA H H 9.946 1.801 2.722 1.00 . A A . 30 ALA H 1 1 9 4496 1 1 30 ALA HA H 7.216 1.646 3.710 1.00 . A A . 30 ALA HA 1 1 9 4497 1 1 30 ALA HB1 H 9.488 3.241 4.257 1.00 . A A . 30 ALA HB1 1 1 9 4498 1 1 30 ALA HB2 H 8.315 4.320 3.463 1.00 . A A . 30 ALA HB2 1 1 9 4499 1 1 30 ALA HB3 H 7.850 3.424 4.929 1.00 . A A . 30 ALA HB3 1 1 9 4500 1 1 30 ALA N N 9.067 1.341 2.846 1.00 . A A . 30 ALA N 1 1 9 4501 1 1 30 ALA O O 7.465 2.048 0.800 1.00 . A A . 30 ALA O 1 1 9 4502 1 1 31 LEU C C 6.083 5.906 0.800 1.00 . A A . 31 LEU C 1 1 9 4503 1 1 31 LEU CA C 5.954 4.381 0.763 1.00 . A A . 31 LEU CA 1 1 9 4504 1 1 31 LEU CB C 4.509 3.888 0.674 1.00 . A A . 31 LEU CB 1 1 9 4505 1 1 31 LEU CD1 C 2.040 4.399 0.740 1.00 . A A . 31 LEU CD1 1 1 9 4506 1 1 31 LEU CD2 C 3.537 5.090 2.667 1.00 . A A . 31 LEU CD2 1 1 9 4507 1 1 31 LEU CG C 3.436 4.866 1.157 1.00 . A A . 31 LEU CG 1 1 9 4508 1 1 31 LEU H H 6.496 4.334 2.774 1.00 . A A . 31 LEU H 1 1 9 4509 1 1 31 LEU HA H 6.475 4.012 -0.120 1.00 . A A . 31 LEU HA 1 1 9 4510 1 1 31 LEU HB2 H 4.296 3.630 -0.363 1.00 . A A . 31 LEU HB2 1 1 9 4511 1 1 31 LEU HB3 H 4.423 2.970 1.255 1.00 . A A . 31 LEU HB3 1 1 9 4512 1 1 31 LEU HD11 H 1.912 4.548 -0.332 1.00 . A A . 31 LEU HD11 1 1 9 4513 1 1 31 LEU HD12 H 1.926 3.341 0.975 1.00 . A A . 31 LEU HD12 1 1 9 4514 1 1 31 LEU HD13 H 1.287 4.974 1.279 1.00 . A A . 31 LEU HD13 1 1 9 4515 1 1 31 LEU HD21 H 3.245 4.179 3.190 1.00 . A A . 31 LEU HD21 1 1 9 4516 1 1 31 LEU HD22 H 4.564 5.345 2.929 1.00 . A A . 31 LEU HD22 1 1 9 4517 1 1 31 LEU HD23 H 2.875 5.905 2.959 1.00 . A A . 31 LEU HD23 1 1 9 4518 1 1 31 LEU HG H 3.610 5.829 0.677 1.00 . A A . 31 LEU HG 1 1 9 4519 1 1 31 LEU N N 6.614 3.815 1.927 1.00 . A A . 31 LEU N 1 1 9 4520 1 1 31 LEU O O 6.611 6.464 1.760 1.00 . A A . 31 LEU O 1 1 9 4521 1 1 32 GLY C C 6.869 8.433 -1.156 1.00 . A A . 32 GLY C 1 1 9 4522 1 1 32 GLY CA C 5.644 7.983 -0.357 1.00 . A A . 32 GLY CA 1 1 9 4523 1 1 32 GLY H H 5.163 6.073 -1.033 1.00 . A A . 32 GLY H 1 1 9 4524 1 1 32 GLY HA2 H 4.737 8.352 -0.836 1.00 . A A . 32 GLY HA2 1 1 9 4525 1 1 32 GLY HA3 H 5.677 8.420 0.641 1.00 . A A . 32 GLY HA3 1 1 9 4526 1 1 32 GLY N N 5.591 6.535 -0.257 1.00 . A A . 32 GLY N 1 1 9 4527 1 1 32 GLY O O 6.817 9.436 -1.866 1.00 . A A . 32 GLY O 1 1 10 4528 1 1 1 TYR C C -1.323 -6.706 -7.638 1.00 . A A . 1 TYR C 1 1 10 4529 1 1 1 TYR CA C -0.324 -7.864 -7.597 1.00 . A A . 1 TYR CA 1 1 10 4530 1 1 1 TYR CB C -0.130 -8.405 -9.015 1.00 . A A . 1 TYR CB 1 1 10 4531 1 1 1 TYR CD1 C 1.354 -6.399 -9.378 1.00 . A A . 1 TYR CD1 1 1 10 4532 1 1 1 TYR CD2 C 1.202 -8.027 -11.123 1.00 . A A . 1 TYR CD2 1 1 10 4533 1 1 1 TYR CE1 C 2.267 -5.626 -10.180 1.00 . A A . 1 TYR CE1 1 1 10 4534 1 1 1 TYR CE2 C 2.115 -7.253 -11.924 1.00 . A A . 1 TYR CE2 1 1 10 4535 1 1 1 TYR CG C 0.840 -7.583 -9.866 1.00 . A A . 1 TYR CG 1 1 10 4536 1 1 1 TYR CZ C 2.602 -6.091 -11.413 1.00 . A A . 1 TYR CZ 1 1 10 4537 1 1 1 TYR H1 H -0.412 -9.098 -5.921 1.00 . A A . 1 TYR H1 1 1 10 4538 1 1 1 TYR HA H 0.598 -7.523 -7.126 1.00 . A A . 1 TYR HA 1 1 10 4539 1 1 1 TYR HB2 H 0.234 -9.430 -8.955 1.00 . A A . 1 TYR HB2 1 1 10 4540 1 1 1 TYR HB3 H -1.097 -8.439 -9.516 1.00 . A A . 1 TYR HB3 1 1 10 4541 1 1 1 TYR HD1 H 1.069 -6.049 -8.386 1.00 . A A . 1 TYR HD1 1 1 10 4542 1 1 1 TYR HD2 H 0.796 -8.962 -11.508 1.00 . A A . 1 TYR HD2 1 1 10 4543 1 1 1 TYR HE1 H 2.680 -4.689 -9.806 1.00 . A A . 1 TYR HE1 1 1 10 4544 1 1 1 TYR HE2 H 2.408 -7.592 -12.917 1.00 . A A . 1 TYR HE2 1 1 10 4545 1 1 1 TYR HH H 3.811 -4.586 -11.642 1.00 . A A . 1 TYR HH 1 1 10 4546 1 1 1 TYR N N -0.844 -8.972 -6.814 1.00 . A A . 1 TYR N 1 1 10 4547 1 1 1 TYR O O -2.134 -6.613 -8.558 1.00 . A A . 1 TYR O 1 1 10 4548 1 1 1 TYR OH O 3.465 -5.361 -12.170 1.00 . A A . 1 TYR OH 1 1 10 4549 1 1 2 ALA C C -1.297 -3.420 -6.683 1.00 . A A . 2 ALA C 1 1 10 4550 1 1 2 ALA CA C -2.117 -4.703 -6.539 1.00 . A A . 2 ALA CA 1 1 10 4551 1 1 2 ALA CB C -2.889 -4.757 -5.219 1.00 . A A . 2 ALA CB 1 1 10 4552 1 1 2 ALA H H -0.569 -5.934 -5.885 1.00 . A A . 2 ALA H 1 1 10 4553 1 1 2 ALA HA H -2.827 -4.765 -7.363 1.00 . A A . 2 ALA HA 1 1 10 4554 1 1 2 ALA HB1 H -3.545 -3.889 -5.146 1.00 . A A . 2 ALA HB1 1 1 10 4555 1 1 2 ALA HB2 H -3.486 -5.668 -5.184 1.00 . A A . 2 ALA HB2 1 1 10 4556 1 1 2 ALA HB3 H -2.186 -4.751 -4.386 1.00 . A A . 2 ALA HB3 1 1 10 4557 1 1 2 ALA N N -1.231 -5.852 -6.629 1.00 . A A . 2 ALA N 1 1 10 4558 1 1 2 ALA O O -1.855 -2.338 -6.861 1.00 . A A . 2 ALA O 1 1 10 4559 1 1 3 PHE C C 1.172 -2.102 -8.188 1.00 . A A . 3 PHE C 1 1 10 4560 1 1 3 PHE CA C 0.918 -2.449 -6.719 1.00 . A A . 3 PHE CA 1 1 10 4561 1 1 3 PHE CB C 2.241 -2.861 -6.069 1.00 . A A . 3 PHE CB 1 1 10 4562 1 1 3 PHE CD1 C 2.657 -5.299 -6.463 1.00 . A A . 3 PHE CD1 1 1 10 4563 1 1 3 PHE CD2 C 3.884 -3.746 -7.739 1.00 . A A . 3 PHE CD2 1 1 10 4564 1 1 3 PHE CE1 C 3.318 -6.366 -7.126 1.00 . A A . 3 PHE CE1 1 1 10 4565 1 1 3 PHE CE2 C 4.546 -4.813 -8.402 1.00 . A A . 3 PHE CE2 1 1 10 4566 1 1 3 PHE CG C 2.954 -4.011 -6.784 1.00 . A A . 3 PHE CG 1 1 10 4567 1 1 3 PHE CZ C 4.249 -6.101 -8.082 1.00 . A A . 3 PHE CZ 1 1 10 4568 1 1 3 PHE H H 0.462 -4.465 -6.455 1.00 . A A . 3 PHE H 1 1 10 4569 1 1 3 PHE HA H 0.442 -1.603 -6.224 1.00 . A A . 3 PHE HA 1 1 10 4570 1 1 3 PHE HB2 H 2.905 -1.997 -6.041 1.00 . A A . 3 PHE HB2 1 1 10 4571 1 1 3 PHE HB3 H 2.051 -3.151 -5.036 1.00 . A A . 3 PHE HB3 1 1 10 4572 1 1 3 PHE HD1 H 1.911 -5.512 -5.697 1.00 . A A . 3 PHE HD1 1 1 10 4573 1 1 3 PHE HD2 H 4.122 -2.713 -7.996 1.00 . A A . 3 PHE HD2 1 1 10 4574 1 1 3 PHE HE1 H 3.080 -7.399 -6.869 1.00 . A A . 3 PHE HE1 1 1 10 4575 1 1 3 PHE HE2 H 5.291 -4.600 -9.168 1.00 . A A . 3 PHE HE2 1 1 10 4576 1 1 3 PHE HZ H 4.757 -6.920 -8.591 1.00 . A A . 3 PHE HZ 1 1 10 4577 1 1 3 PHE N N 0.016 -3.582 -6.600 1.00 . A A . 3 PHE N 1 1 10 4578 1 1 3 PHE O O 1.987 -1.233 -8.492 1.00 . A A . 3 PHE O 1 1 10 4579 1 1 4 ALA C C -0.156 -3.672 -11.246 1.00 . A A . 4 ALA C 1 1 10 4580 1 1 4 ALA CA C 0.595 -2.575 -10.488 1.00 . A A . 4 ALA CA 1 1 10 4581 1 1 4 ALA CB C 2.079 -2.523 -10.857 1.00 . A A . 4 ALA CB 1 1 10 4582 1 1 4 ALA H H -0.204 -3.504 -8.803 1.00 . A A . 4 ALA H 1 1 10 4583 1 1 4 ALA HA H 0.142 -1.611 -10.718 1.00 . A A . 4 ALA HA 1 1 10 4584 1 1 4 ALA HB1 H 2.681 -2.701 -9.966 1.00 . A A . 4 ALA HB1 1 1 10 4585 1 1 4 ALA HB2 H 2.295 -3.290 -11.601 1.00 . A A . 4 ALA HB2 1 1 10 4586 1 1 4 ALA HB3 H 2.317 -1.542 -11.266 1.00 . A A . 4 ALA HB3 1 1 10 4587 1 1 4 ALA N N 0.457 -2.799 -9.059 1.00 . A A . 4 ALA N 1 1 10 4588 1 1 4 ALA O O 0.440 -4.664 -11.661 1.00 . A A . 4 ALA O 1 1 10 4589 1 1 5 CYS C C -3.730 -3.889 -12.097 1.00 . A A . 5 CYS C 1 1 10 4590 1 1 5 CYS CA C -2.293 -4.413 -12.105 1.00 . A A . 5 CYS CA 1 1 10 4591 1 1 5 CYS CB C -2.191 -5.810 -11.490 1.00 . A A . 5 CYS CB 1 1 10 4592 1 1 5 CYS H H -1.931 -2.645 -11.064 1.00 . A A . 5 CYS H 1 1 10 4593 1 1 5 CYS HA H -1.910 -4.478 -13.123 1.00 . A A . 5 CYS HA 1 1 10 4594 1 1 5 CYS HB2 H -1.676 -5.758 -10.531 1.00 . A A . 5 CYS HB2 1 1 10 4595 1 1 5 CYS HB3 H -3.189 -6.203 -11.294 1.00 . A A . 5 CYS HB3 1 1 10 4596 1 1 5 CYS HG H -1.848 -6.473 -13.741 1.00 . A A . 5 CYS HG 1 1 10 4597 1 1 5 CYS N N -1.454 -3.455 -11.404 1.00 . A A . 5 CYS N 1 1 10 4598 1 1 5 CYS O O -4.326 -3.684 -13.153 1.00 . A A . 5 CYS O 1 1 10 4599 1 1 5 CYS SG S -1.290 -6.929 -12.623 1.00 . A A . 5 CYS SG 1 1 10 4600 1 1 6 PRO C C -5.694 -1.691 -11.025 1.00 . A A . 6 PRO C 1 1 10 4601 1 1 6 PRO CA C -5.616 -3.185 -10.702 1.00 . A A . 6 PRO CA 1 1 10 4602 1 1 6 PRO CB C -5.984 -3.501 -9.262 1.00 . A A . 6 PRO CB 1 1 10 4603 1 1 6 PRO CD C -3.583 -3.912 -9.588 1.00 . A A . 6 PRO CD 1 1 10 4604 1 1 6 PRO CG C -4.668 -3.739 -8.538 1.00 . A A . 6 PRO CG 1 1 10 4605 1 1 6 PRO HA H -6.229 -3.637 -11.349 1.00 . A A . 6 PRO HA 1 1 10 4606 1 1 6 PRO HB2 H -6.535 -2.677 -8.809 1.00 . A A . 6 PRO HB2 1 1 10 4607 1 1 6 PRO HB3 H -6.625 -4.381 -9.207 1.00 . A A . 6 PRO HB3 1 1 10 4608 1 1 6 PRO HD2 H -2.769 -3.203 -9.437 1.00 . A A . 6 PRO HD2 1 1 10 4609 1 1 6 PRO HD3 H -3.147 -4.910 -9.547 1.00 . A A . 6 PRO HD3 1 1 10 4610 1 1 6 PRO HG2 H -4.435 -2.900 -7.883 1.00 . A A . 6 PRO HG2 1 1 10 4611 1 1 6 PRO HG3 H -4.734 -4.626 -7.908 1.00 . A A . 6 PRO HG3 1 1 10 4612 1 1 6 PRO N N -4.259 -3.681 -10.861 1.00 . A A . 6 PRO N 1 1 10 4613 1 1 6 PRO O O -5.956 -1.312 -12.165 1.00 . A A . 6 PRO O 1 1 10 4614 1 1 7 ALA C C -5.588 1.219 -8.782 1.00 . A A . 7 ALA C 1 1 10 4615 1 1 7 ALA CA C -5.505 0.560 -10.160 1.00 . A A . 7 ALA CA 1 1 10 4616 1 1 7 ALA CB C -6.682 0.940 -11.060 1.00 . A A . 7 ALA CB 1 1 10 4617 1 1 7 ALA H H -5.251 -1.200 -9.075 1.00 . A A . 7 ALA H 1 1 10 4618 1 1 7 ALA HA H -4.578 0.867 -10.645 1.00 . A A . 7 ALA HA 1 1 10 4619 1 1 7 ALA HB1 H -7.085 1.902 -10.744 1.00 . A A . 7 ALA HB1 1 1 10 4620 1 1 7 ALA HB2 H -6.341 1.011 -12.093 1.00 . A A . 7 ALA HB2 1 1 10 4621 1 1 7 ALA HB3 H -7.458 0.178 -10.985 1.00 . A A . 7 ALA HB3 1 1 10 4622 1 1 7 ALA N N -5.463 -0.884 -10.000 1.00 . A A . 7 ALA N 1 1 10 4623 1 1 7 ALA O O -4.568 1.424 -8.125 1.00 . A A . 7 ALA O 1 1 10 4624 1 1 8 CYS C C -8.514 1.980 -6.726 1.00 . A A . 8 CYS C 1 1 10 4625 1 1 8 CYS CA C -7.042 2.166 -7.096 1.00 . A A . 8 CYS CA 1 1 10 4626 1 1 8 CYS CB C -6.638 3.641 -7.111 1.00 . A A . 8 CYS CB 1 1 10 4627 1 1 8 CYS H H -7.636 1.363 -8.924 1.00 . A A . 8 CYS H 1 1 10 4628 1 1 8 CYS HA H -6.395 1.659 -6.380 1.00 . A A . 8 CYS HA 1 1 10 4629 1 1 8 CYS HB2 H -6.632 4.015 -8.134 1.00 . A A . 8 CYS HB2 1 1 10 4630 1 1 8 CYS HB3 H -7.370 4.232 -6.560 1.00 . A A . 8 CYS HB3 1 1 10 4631 1 1 8 CYS HG H -5.415 4.190 -5.154 1.00 . A A . 8 CYS HG 1 1 10 4632 1 1 8 CYS N N -6.812 1.533 -8.384 1.00 . A A . 8 CYS N 1 1 10 4633 1 1 8 CYS O O -9.364 2.772 -7.131 1.00 . A A . 8 CYS O 1 1 10 4634 1 1 8 CYS SG S -4.980 3.844 -6.362 1.00 . A A . 8 CYS SG 1 1 10 4635 1 1 9 PRO C C -10.583 1.561 -4.406 1.00 . A A . 9 PRO C 1 1 10 4636 1 1 9 PRO CA C -10.133 0.603 -5.510 1.00 . A A . 9 PRO CA 1 1 10 4637 1 1 9 PRO CB C -10.091 -0.848 -5.058 1.00 . A A . 9 PRO CB 1 1 10 4638 1 1 9 PRO CD C -7.797 -0.057 -5.442 1.00 . A A . 9 PRO CD 1 1 10 4639 1 1 9 PRO CG C -8.625 -1.165 -4.813 1.00 . A A . 9 PRO CG 1 1 10 4640 1 1 9 PRO HA H -10.775 0.736 -6.266 1.00 . A A . 9 PRO HA 1 1 10 4641 1 1 9 PRO HB2 H -10.679 -0.991 -4.151 1.00 . A A . 9 PRO HB2 1 1 10 4642 1 1 9 PRO HB3 H -10.512 -1.507 -5.817 1.00 . A A . 9 PRO HB3 1 1 10 4643 1 1 9 PRO HD2 H -7.130 0.402 -4.712 1.00 . A A . 9 PRO HD2 1 1 10 4644 1 1 9 PRO HD3 H -7.171 -0.439 -6.248 1.00 . A A . 9 PRO HD3 1 1 10 4645 1 1 9 PRO HG2 H -8.423 -1.234 -3.744 1.00 . A A . 9 PRO HG2 1 1 10 4646 1 1 9 PRO HG3 H -8.366 -2.130 -5.249 1.00 . A A . 9 PRO HG3 1 1 10 4647 1 1 9 PRO N N -8.778 0.902 -5.940 1.00 . A A . 9 PRO N 1 1 10 4648 1 1 9 PRO O O -9.984 2.618 -4.215 1.00 . A A . 9 PRO O 1 1 10 4649 1 1 10 LYS C C -12.027 1.208 -1.307 1.00 . A A . 10 LYS C 1 1 10 4650 1 1 10 LYS CA C -12.171 1.967 -2.627 1.00 . A A . 10 LYS CA 1 1 10 4651 1 1 10 LYS CB C -13.607 2.392 -2.938 1.00 . A A . 10 LYS CB 1 1 10 4652 1 1 10 LYS CD C -14.947 3.604 -1.179 1.00 . A A . 10 LYS CD 1 1 10 4653 1 1 10 LYS CE C -14.705 4.644 -0.084 1.00 . A A . 10 LYS CE 1 1 10 4654 1 1 10 LYS CG C -13.926 3.750 -2.309 1.00 . A A . 10 LYS CG 1 1 10 4655 1 1 10 LYS H H -12.116 0.296 -3.870 1.00 . A A . 10 LYS H 1 1 10 4656 1 1 10 LYS HA H -11.571 2.875 -2.571 1.00 . A A . 10 LYS HA 1 1 10 4657 1 1 10 LYS HB2 H -13.749 2.445 -4.018 1.00 . A A . 10 LYS HB2 1 1 10 4658 1 1 10 LYS HB3 H -14.302 1.641 -2.563 1.00 . A A . 10 LYS HB3 1 1 10 4659 1 1 10 LYS HD2 H -15.955 3.718 -1.578 1.00 . A A . 10 LYS HD2 1 1 10 4660 1 1 10 LYS HD3 H -14.884 2.602 -0.754 1.00 . A A . 10 LYS HD3 1 1 10 4661 1 1 10 LYS HE2 H -15.036 4.252 0.878 1.00 . A A . 10 LYS HE2 1 1 10 4662 1 1 10 LYS HE3 H -13.638 4.847 0.004 1.00 . A A . 10 LYS HE3 1 1 10 4663 1 1 10 LYS HG2 H -13.011 4.199 -1.922 1.00 . A A . 10 LYS HG2 1 1 10 4664 1 1 10 LYS HG3 H -14.315 4.425 -3.071 1.00 . A A . 10 LYS HG3 1 1 10 4665 1 1 10 LYS HZ1 H -15.899 5.805 -1.269 1.00 . A A . 10 LYS HZ1 1 1 10 4666 1 1 10 LYS HZ2 H -16.101 6.079 0.328 1.00 . A A . 10 LYS HZ2 1 1 10 4667 1 1 10 LYS HZ3 H -14.780 6.656 -0.438 1.00 . A A . 10 LYS HZ3 1 1 10 4668 1 1 10 LYS N N -11.634 1.157 -3.708 1.00 . A A . 10 LYS N 1 1 10 4669 1 1 10 LYS NZ N -15.430 5.898 -0.391 1.00 . A A . 10 LYS NZ 1 1 10 4670 1 1 10 LYS O O -13.017 0.943 -0.627 1.00 . A A . 10 LYS O 1 1 10 4671 1 1 11 ARG C C -8.989 -0.039 0.406 1.00 . A A . 11 ARG C 1 1 10 4672 1 1 11 ARG CA C -10.498 0.156 0.245 1.00 . A A . 11 ARG CA 1 1 10 4673 1 1 11 ARG CB C -11.186 -1.211 0.252 1.00 . A A . 11 ARG CB 1 1 10 4674 1 1 11 ARG CD C -10.195 -2.778 1.961 1.00 . A A . 11 ARG CD 1 1 10 4675 1 1 11 ARG CG C -11.300 -1.760 1.676 1.00 . A A . 11 ARG CG 1 1 10 4676 1 1 11 ARG CZ C -11.112 -4.905 1.042 1.00 . A A . 11 ARG CZ 1 1 10 4677 1 1 11 ARG H H -9.984 1.099 -1.540 1.00 . A A . 11 ARG H 1 1 10 4678 1 1 11 ARG HA H -10.899 0.785 1.040 1.00 . A A . 11 ARG HA 1 1 10 4679 1 1 11 ARG HB2 H -12.179 -1.124 -0.189 1.00 . A A . 11 ARG HB2 1 1 10 4680 1 1 11 ARG HB3 H -10.622 -1.909 -0.367 1.00 . A A . 11 ARG HB3 1 1 10 4681 1 1 11 ARG HD2 H -9.220 -2.292 1.918 1.00 . A A . 11 ARG HD2 1 1 10 4682 1 1 11 ARG HD3 H -10.307 -3.177 2.969 1.00 . A A . 11 ARG HD3 1 1 10 4683 1 1 11 ARG HE H -9.612 -3.855 0.206 1.00 . A A . 11 ARG HE 1 1 10 4684 1 1 11 ARG HG2 H -11.238 -0.940 2.391 1.00 . A A . 11 ARG HG2 1 1 10 4685 1 1 11 ARG HG3 H -12.275 -2.228 1.812 1.00 . A A . 11 ARG HG3 1 1 10 4686 1 1 11 ARG HH11 H -12.003 -4.267 2.755 1.00 . A A . 11 ARG HH11 1 1 10 4687 1 1 11 ARG HH12 H -12.630 -5.744 2.104 1.00 . A A . 11 ARG HH12 1 1 10 4688 1 1 11 ARG HH21 H -10.439 -5.804 -0.654 1.00 . A A . 11 ARG HH21 1 1 10 4689 1 1 11 ARG HH22 H -11.735 -6.625 0.152 1.00 . A A . 11 ARG HH22 1 1 10 4690 1 1 11 ARG N N -10.785 0.879 -0.982 1.00 . A A . 11 ARG N 1 1 10 4691 1 1 11 ARG NE N -10.253 -3.879 0.973 1.00 . A A . 11 ARG NE 1 1 10 4692 1 1 11 ARG NH1 N -11.989 -4.978 2.052 1.00 . A A . 11 ARG NH1 1 1 10 4693 1 1 11 ARG NH2 N -11.094 -5.859 0.100 1.00 . A A . 11 ARG NH2 1 1 10 4694 1 1 11 ARG O O -8.464 0.041 1.516 1.00 . A A . 11 ARG O 1 1 10 4695 1 1 12 PHE C C -6.155 0.805 -0.415 1.00 . A A . 12 PHE C 1 1 10 4696 1 1 12 PHE CA C -6.896 -0.499 -0.715 1.00 . A A . 12 PHE CA 1 1 10 4697 1 1 12 PHE CB C -6.511 -0.981 -2.115 1.00 . A A . 12 PHE CB 1 1 10 4698 1 1 12 PHE CD1 C -4.342 -2.202 -1.834 1.00 . A A . 12 PHE CD1 1 1 10 4699 1 1 12 PHE CD2 C -4.323 -0.167 -3.022 1.00 . A A . 12 PHE CD2 1 1 10 4700 1 1 12 PHE CE1 C -2.943 -2.333 -2.035 1.00 . A A . 12 PHE CE1 1 1 10 4701 1 1 12 PHE CE2 C -2.923 -0.299 -3.223 1.00 . A A . 12 PHE CE2 1 1 10 4702 1 1 12 PHE CG C -5.003 -1.122 -2.332 1.00 . A A . 12 PHE CG 1 1 10 4703 1 1 12 PHE CZ C -2.263 -1.378 -2.726 1.00 . A A . 12 PHE CZ 1 1 10 4704 1 1 12 PHE H H -8.769 -0.356 -1.616 1.00 . A A . 12 PHE H 1 1 10 4705 1 1 12 PHE HA H -6.676 -1.228 0.066 1.00 . A A . 12 PHE HA 1 1 10 4706 1 1 12 PHE HB2 H -6.986 -1.944 -2.300 1.00 . A A . 12 PHE HB2 1 1 10 4707 1 1 12 PHE HB3 H -6.909 -0.283 -2.851 1.00 . A A . 12 PHE HB3 1 1 10 4708 1 1 12 PHE HD1 H -4.888 -2.967 -1.281 1.00 . A A . 12 PHE HD1 1 1 10 4709 1 1 12 PHE HD2 H -4.852 0.698 -3.420 1.00 . A A . 12 PHE HD2 1 1 10 4710 1 1 12 PHE HE1 H -2.414 -3.198 -1.637 1.00 . A A . 12 PHE HE1 1 1 10 4711 1 1 12 PHE HE2 H -2.378 0.466 -3.776 1.00 . A A . 12 PHE HE2 1 1 10 4712 1 1 12 PHE HZ H -1.189 -1.479 -2.880 1.00 . A A . 12 PHE HZ 1 1 10 4713 1 1 12 PHE N N -8.334 -0.292 -0.717 1.00 . A A . 12 PHE N 1 1 10 4714 1 1 12 PHE O O -5.204 0.818 0.365 1.00 . A A . 12 PHE O 1 1 10 4715 1 1 13 MET C C -5.826 3.487 0.623 1.00 . A A . 13 MET C 1 1 10 4716 1 1 13 MET CA C -6.010 3.178 -0.863 1.00 . A A . 13 MET CA 1 1 10 4717 1 1 13 MET CB C -6.896 4.249 -1.503 1.00 . A A . 13 MET CB 1 1 10 4718 1 1 13 MET CE C -10.794 4.766 -0.385 1.00 . A A . 13 MET CE 1 1 10 4719 1 1 13 MET CG C -8.377 3.907 -1.336 1.00 . A A . 13 MET CG 1 1 10 4720 1 1 13 MET H H -7.391 1.852 -1.685 1.00 . A A . 13 MET H 1 1 10 4721 1 1 13 MET HA H -5.038 3.122 -1.354 1.00 . A A . 13 MET HA 1 1 10 4722 1 1 13 MET HB2 H -6.688 5.217 -1.046 1.00 . A A . 13 MET HB2 1 1 10 4723 1 1 13 MET HB3 H -6.657 4.339 -2.562 1.00 . A A . 13 MET HB3 1 1 10 4724 1 1 13 MET HE1 H -10.600 4.664 0.683 1.00 . A A . 13 MET HE1 1 1 10 4725 1 1 13 MET HE2 H -11.627 5.452 -0.539 1.00 . A A . 13 MET HE2 1 1 10 4726 1 1 13 MET HE3 H -11.044 3.791 -0.804 1.00 . A A . 13 MET HE3 1 1 10 4727 1 1 13 MET HG2 H -8.722 3.322 -2.188 1.00 . A A . 13 MET HG2 1 1 10 4728 1 1 13 MET HG3 H -8.519 3.291 -0.448 1.00 . A A . 13 MET HG3 1 1 10 4729 1 1 13 MET N N -6.617 1.871 -1.052 1.00 . A A . 13 MET N 1 1 10 4730 1 1 13 MET O O -4.923 4.235 0.998 1.00 . A A . 13 MET O 1 1 10 4731 1 1 13 MET SD S -9.338 5.405 -1.196 1.00 . A A . 13 MET SD 1 1 10 4732 1 1 14 ARG C C -5.718 2.066 3.515 1.00 . A A . 14 ARG C 1 1 10 4733 1 1 14 ARG CA C -6.640 3.101 2.868 1.00 . A A . 14 ARG CA 1 1 10 4734 1 1 14 ARG CB C -8.032 2.995 3.493 1.00 . A A . 14 ARG CB 1 1 10 4735 1 1 14 ARG CD C -10.269 2.905 2.333 1.00 . A A . 14 ARG CD 1 1 10 4736 1 1 14 ARG CG C -9.061 3.779 2.676 1.00 . A A . 14 ARG CG 1 1 10 4737 1 1 14 ARG CZ C -12.684 2.995 2.941 1.00 . A A . 14 ARG CZ 1 1 10 4738 1 1 14 ARG H H -7.426 2.291 1.117 1.00 . A A . 14 ARG H 1 1 10 4739 1 1 14 ARG HA H -6.245 4.110 2.992 1.00 . A A . 14 ARG HA 1 1 10 4740 1 1 14 ARG HB2 H -8.330 1.948 3.552 1.00 . A A . 14 ARG HB2 1 1 10 4741 1 1 14 ARG HB3 H -8.006 3.377 4.514 1.00 . A A . 14 ARG HB3 1 1 10 4742 1 1 14 ARG HD2 H -10.266 2.667 1.270 1.00 . A A . 14 ARG HD2 1 1 10 4743 1 1 14 ARG HD3 H -10.210 1.960 2.872 1.00 . A A . 14 ARG HD3 1 1 10 4744 1 1 14 ARG HE H -11.497 4.609 2.743 1.00 . A A . 14 ARG HE 1 1 10 4745 1 1 14 ARG HG2 H -9.388 4.653 3.239 1.00 . A A . 14 ARG HG2 1 1 10 4746 1 1 14 ARG HG3 H -8.600 4.145 1.759 1.00 . A A . 14 ARG HG3 1 1 10 4747 1 1 14 ARG HH11 H -11.953 1.121 2.644 1.00 . A A . 14 ARG HH11 1 1 10 4748 1 1 14 ARG HH12 H -13.631 1.200 3.067 1.00 . A A . 14 ARG HH12 1 1 10 4749 1 1 14 ARG HH21 H -13.711 4.714 3.302 1.00 . A A . 14 ARG HH21 1 1 10 4750 1 1 14 ARG HH22 H -14.638 3.257 3.444 1.00 . A A . 14 ARG HH22 1 1 10 4751 1 1 14 ARG N N -6.695 2.897 1.430 1.00 . A A . 14 ARG N 1 1 10 4752 1 1 14 ARG NE N -11.521 3.611 2.688 1.00 . A A . 14 ARG NE 1 1 10 4753 1 1 14 ARG NH1 N -12.763 1.659 2.879 1.00 . A A . 14 ARG NH1 1 1 10 4754 1 1 14 ARG NH2 N -13.769 3.716 3.255 1.00 . A A . 14 ARG NH2 1 1 10 4755 1 1 14 ARG O O -4.844 2.417 4.308 1.00 . A A . 14 ARG O 1 1 10 4756 1 1 15 SER C C -3.677 -0.094 3.293 1.00 . A A . 15 SER C 1 1 10 4757 1 1 15 SER CA C -5.143 -0.277 3.690 1.00 . A A . 15 SER CA 1 1 10 4758 1 1 15 SER CB C -5.659 -1.632 3.202 1.00 . A A . 15 SER CB 1 1 10 4759 1 1 15 SER H H -6.655 0.534 2.509 1.00 . A A . 15 SER H 1 1 10 4760 1 1 15 SER HA H -5.257 -0.214 4.772 1.00 . A A . 15 SER HA 1 1 10 4761 1 1 15 SER HB2 H -6.331 -1.481 2.356 1.00 . A A . 15 SER HB2 1 1 10 4762 1 1 15 SER HB3 H -4.823 -2.231 2.841 1.00 . A A . 15 SER HB3 1 1 10 4763 1 1 15 SER HG H -6.038 -2.027 5.127 1.00 . A A . 15 SER HG 1 1 10 4764 1 1 15 SER N N -5.943 0.811 3.154 1.00 . A A . 15 SER N 1 1 10 4765 1 1 15 SER O O -2.795 -0.757 3.837 1.00 . A A . 15 SER O 1 1 10 4766 1 1 15 SER OG O -6.344 -2.344 4.229 1.00 . A A . 15 SER OG 1 1 10 4767 1 1 16 ASP C C -1.651 2.433 2.433 1.00 . A A . 16 ASP C 1 1 10 4768 1 1 16 ASP CA C -2.117 1.089 1.871 1.00 . A A . 16 ASP CA 1 1 10 4769 1 1 16 ASP CB C -2.081 1.177 0.344 1.00 . A A . 16 ASP CB 1 1 10 4770 1 1 16 ASP CG C -1.478 -0.041 -0.359 1.00 . A A . 16 ASP CG 1 1 10 4771 1 1 16 ASP H H -4.184 1.345 1.910 1.00 . A A . 16 ASP H 1 1 10 4772 1 1 16 ASP HA H -1.510 0.255 2.224 1.00 . A A . 16 ASP HA 1 1 10 4773 1 1 16 ASP HB2 H -3.098 1.321 -0.021 1.00 . A A . 16 ASP HB2 1 1 10 4774 1 1 16 ASP HB3 H -1.512 2.061 0.060 1.00 . A A . 16 ASP HB3 1 1 10 4775 1 1 16 ASP N N -3.461 0.810 2.347 1.00 . A A . 16 ASP N 1 1 10 4776 1 1 16 ASP O O -0.453 2.711 2.473 1.00 . A A . 16 ASP O 1 1 10 4777 1 1 16 ASP OD1 O -1.735 -1.163 0.128 1.00 . A A . 16 ASP OD1 1 1 10 4778 1 1 16 ASP OD2 O -0.773 0.179 -1.368 1.00 . A A . 16 ASP OD2 1 1 10 4779 1 1 17 ALA C C -2.022 4.396 4.905 1.00 . A A . 17 ALA C 1 1 10 4780 1 1 17 ALA CA C -2.324 4.540 3.412 1.00 . A A . 17 ALA CA 1 1 10 4781 1 1 17 ALA CB C -3.495 5.487 3.142 1.00 . A A . 17 ALA CB 1 1 10 4782 1 1 17 ALA H H -3.592 2.997 2.818 1.00 . A A . 17 ALA H 1 1 10 4783 1 1 17 ALA HA H -1.438 4.923 2.906 1.00 . A A . 17 ALA HA 1 1 10 4784 1 1 17 ALA HB1 H -4.411 4.908 3.024 1.00 . A A . 17 ALA HB1 1 1 10 4785 1 1 17 ALA HB2 H -3.606 6.175 3.980 1.00 . A A . 17 ALA HB2 1 1 10 4786 1 1 17 ALA HB3 H -3.302 6.052 2.231 1.00 . A A . 17 ALA HB3 1 1 10 4787 1 1 17 ALA N N -2.621 3.231 2.854 1.00 . A A . 17 ALA N 1 1 10 4788 1 1 17 ALA O O -2.367 5.270 5.699 1.00 . A A . 17 ALA O 1 1 10 4789 1 1 18 LEU C C -0.184 1.743 6.694 1.00 . A A . 18 LEU C 1 1 10 4790 1 1 18 LEU CA C -1.030 3.017 6.626 1.00 . A A . 18 LEU CA 1 1 10 4791 1 1 18 LEU CB C -2.286 2.968 7.499 1.00 . A A . 18 LEU CB 1 1 10 4792 1 1 18 LEU CD1 C -2.963 0.979 6.104 1.00 . A A . 18 LEU CD1 1 1 10 4793 1 1 18 LEU CD2 C -2.625 0.728 8.606 1.00 . A A . 18 LEU CD2 1 1 10 4794 1 1 18 LEU CG C -3.070 1.655 7.473 1.00 . A A . 18 LEU CG 1 1 10 4795 1 1 18 LEU H H -1.105 2.580 4.591 1.00 . A A . 18 LEU H 1 1 10 4796 1 1 18 LEU HA H -0.425 3.852 6.978 1.00 . A A . 18 LEU HA 1 1 10 4797 1 1 18 LEU HB2 H -1.996 3.175 8.529 1.00 . A A . 18 LEU HB2 1 1 10 4798 1 1 18 LEU HB3 H -2.952 3.772 7.187 1.00 . A A . 18 LEU HB3 1 1 10 4799 1 1 18 LEU HD11 H -3.781 0.268 5.985 1.00 . A A . 18 LEU HD11 1 1 10 4800 1 1 18 LEU HD12 H -3.022 1.735 5.321 1.00 . A A . 18 LEU HD12 1 1 10 4801 1 1 18 LEU HD13 H -2.011 0.454 6.032 1.00 . A A . 18 LEU HD13 1 1 10 4802 1 1 18 LEU HD21 H -1.890 1.239 9.227 1.00 . A A . 18 LEU HD21 1 1 10 4803 1 1 18 LEU HD22 H -3.489 0.457 9.214 1.00 . A A . 18 LEU HD22 1 1 10 4804 1 1 18 LEU HD23 H -2.181 -0.174 8.184 1.00 . A A . 18 LEU HD23 1 1 10 4805 1 1 18 LEU HG H -4.123 1.882 7.638 1.00 . A A . 18 LEU HG 1 1 10 4806 1 1 18 LEU N N -1.382 3.286 5.243 1.00 . A A . 18 LEU N 1 1 10 4807 1 1 18 LEU O O -0.277 0.983 7.657 1.00 . A A . 18 LEU O 1 1 10 4808 1 1 19 SER C C 2.842 0.769 5.003 1.00 . A A . 19 SER C 1 1 10 4809 1 1 19 SER CA C 1.482 0.382 5.590 1.00 . A A . 19 SER CA 1 1 10 4810 1 1 19 SER CB C 0.840 -0.727 4.755 1.00 . A A . 19 SER CB 1 1 10 4811 1 1 19 SER H H 0.690 2.174 4.881 1.00 . A A . 19 SER H 1 1 10 4812 1 1 19 SER HA H 1.593 0.043 6.620 1.00 . A A . 19 SER HA 1 1 10 4813 1 1 19 SER HB2 H -0.002 -0.318 4.196 1.00 . A A . 19 SER HB2 1 1 10 4814 1 1 19 SER HB3 H 1.560 -1.094 4.024 1.00 . A A . 19 SER HB3 1 1 10 4815 1 1 19 SER HG H -0.039 -2.509 4.991 1.00 . A A . 19 SER HG 1 1 10 4816 1 1 19 SER N N 0.621 1.550 5.660 1.00 . A A . 19 SER N 1 1 10 4817 1 1 19 SER O O 3.881 0.340 5.502 1.00 . A A . 19 SER O 1 1 10 4818 1 1 19 SER OG O 0.390 -1.811 5.563 1.00 . A A . 19 SER OG 1 1 10 4819 1 1 20 LYS C C 4.516 3.288 3.984 1.00 . A A . 20 LYS C 1 1 10 4820 1 1 20 LYS CA C 4.003 2.023 3.293 1.00 . A A . 20 LYS CA 1 1 10 4821 1 1 20 LYS CB C 3.764 2.197 1.792 1.00 . A A . 20 LYS CB 1 1 10 4822 1 1 20 LYS CD C 2.111 4.011 2.369 1.00 . A A . 20 LYS CD 1 1 10 4823 1 1 20 LYS CE C 2.988 5.179 1.911 1.00 . A A . 20 LYS CE 1 1 10 4824 1 1 20 LYS CG C 2.370 2.765 1.520 1.00 . A A . 20 LYS CG 1 1 10 4825 1 1 20 LYS H H 1.939 1.918 3.554 1.00 . A A . 20 LYS H 1 1 10 4826 1 1 20 LYS HA H 4.749 1.238 3.412 1.00 . A A . 20 LYS HA 1 1 10 4827 1 1 20 LYS HB2 H 4.520 2.862 1.374 1.00 . A A . 20 LYS HB2 1 1 10 4828 1 1 20 LYS HB3 H 3.874 1.236 1.289 1.00 . A A . 20 LYS HB3 1 1 10 4829 1 1 20 LYS HD2 H 1.060 4.292 2.299 1.00 . A A . 20 LYS HD2 1 1 10 4830 1 1 20 LYS HD3 H 2.312 3.790 3.417 1.00 . A A . 20 LYS HD3 1 1 10 4831 1 1 20 LYS HE2 H 3.305 5.763 2.774 1.00 . A A . 20 LYS HE2 1 1 10 4832 1 1 20 LYS HE3 H 3.891 4.797 1.434 1.00 . A A . 20 LYS HE3 1 1 10 4833 1 1 20 LYS HG2 H 2.274 3.014 0.464 1.00 . A A . 20 LYS HG2 1 1 10 4834 1 1 20 LYS HG3 H 1.616 2.009 1.739 1.00 . A A . 20 LYS HG3 1 1 10 4835 1 1 20 LYS HZ1 H 2.703 6.028 0.074 1.00 . A A . 20 LYS HZ1 1 1 10 4836 1 1 20 LYS HZ2 H 1.312 5.703 0.865 1.00 . A A . 20 LYS HZ2 1 1 10 4837 1 1 20 LYS HZ3 H 2.227 6.979 1.314 1.00 . A A . 20 LYS HZ3 1 1 10 4838 1 1 20 LYS N N 2.789 1.574 3.953 1.00 . A A . 20 LYS N 1 1 10 4839 1 1 20 LYS NZ N 2.247 6.042 0.964 1.00 . A A . 20 LYS NZ 1 1 10 4840 1 1 20 LYS O O 4.921 4.242 3.321 1.00 . A A . 20 LYS O 1 1 10 4841 1 1 21 HIS C C 4.991 3.997 7.575 1.00 . A A . 21 HIS C 1 1 10 4842 1 1 21 HIS CA C 4.939 4.388 6.096 1.00 . A A . 21 HIS CA 1 1 10 4843 1 1 21 HIS CB C 4.065 5.617 5.839 1.00 . A A . 21 HIS CB 1 1 10 4844 1 1 21 HIS CD2 C 2.953 5.805 8.197 1.00 . A A . 21 HIS CD2 1 1 10 4845 1 1 21 HIS CE1 C 0.885 6.097 7.544 1.00 . A A . 21 HIS CE1 1 1 10 4846 1 1 21 HIS CG C 2.942 5.791 6.833 1.00 . A A . 21 HIS CG 1 1 10 4847 1 1 21 HIS H H 4.151 2.476 5.840 1.00 . A A . 21 HIS H 1 1 10 4848 1 1 21 HIS HA H 5.948 4.620 5.755 1.00 . A A . 21 HIS HA 1 1 10 4849 1 1 21 HIS HB2 H 4.694 6.507 5.857 1.00 . A A . 21 HIS HB2 1 1 10 4850 1 1 21 HIS HB3 H 3.642 5.546 4.837 1.00 . A A . 21 HIS HB3 1 1 10 4851 1 1 21 HIS HD1 H 1.288 6.014 5.510 1.00 . A A . 21 HIS HD1 1 1 10 4852 1 1 21 HIS HD2 H 3.833 5.684 8.828 1.00 . A A . 21 HIS HD2 1 1 10 4853 1 1 21 HIS HE1 H -0.193 6.253 7.574 1.00 . A A . 21 HIS HE1 1 1 10 4854 1 1 21 HIS HE2 H 1.418 5.987 9.581 1.00 . A A . 21 HIS HE2 1 1 10 4855 1 1 21 HIS N N 4.482 3.256 5.308 1.00 . A A . 21 HIS N 1 1 10 4856 1 1 21 HIS ND1 N 1.625 5.977 6.451 1.00 . A A . 21 HIS ND1 1 1 10 4857 1 1 21 HIS NE2 N 1.710 5.991 8.625 1.00 . A A . 21 HIS NE2 1 1 10 4858 1 1 21 HIS O O 5.914 4.382 8.291 1.00 . A A . 21 HIS O 1 1 10 4859 1 1 22 ILE C C 4.519 1.390 9.482 1.00 . A A . 22 ILE C 1 1 10 4860 1 1 22 ILE CA C 3.908 2.788 9.368 1.00 . A A . 22 ILE CA 1 1 10 4861 1 1 22 ILE CB C 2.467 2.872 9.875 1.00 . A A . 22 ILE CB 1 1 10 4862 1 1 22 ILE CD1 C 1.925 0.507 10.565 1.00 . A A . 22 ILE CD1 1 1 10 4863 1 1 22 ILE CG1 C 2.244 1.921 11.054 1.00 . A A . 22 ILE CG1 1 1 10 4864 1 1 22 ILE CG2 C 1.470 2.622 8.741 1.00 . A A . 22 ILE CG2 1 1 10 4865 1 1 22 ILE H H 3.241 2.926 7.399 1.00 . A A . 22 ILE H 1 1 10 4866 1 1 22 ILE HA H 4.502 3.475 9.969 1.00 . A A . 22 ILE HA 1 1 10 4867 1 1 22 ILE HB H 2.292 3.884 10.240 1.00 . A A . 22 ILE HB 1 1 10 4868 1 1 22 ILE HD11 H 2.500 -0.216 11.144 1.00 . A A . 22 ILE HD11 1 1 10 4869 1 1 22 ILE HD12 H 0.861 0.310 10.692 1.00 . A A . 22 ILE HD12 1 1 10 4870 1 1 22 ILE HD13 H 2.188 0.419 9.511 1.00 . A A . 22 ILE HD13 1 1 10 4871 1 1 22 ILE HG12 H 3.134 1.901 11.682 1.00 . A A . 22 ILE HG12 1 1 10 4872 1 1 22 ILE HG13 H 1.426 2.289 11.672 1.00 . A A . 22 ILE HG13 1 1 10 4873 1 1 22 ILE HG21 H 0.498 2.366 9.162 1.00 . A A . 22 ILE HG21 1 1 10 4874 1 1 22 ILE HG22 H 1.378 3.522 8.133 1.00 . A A . 22 ILE HG22 1 1 10 4875 1 1 22 ILE HG23 H 1.825 1.799 8.120 1.00 . A A . 22 ILE HG23 1 1 10 4876 1 1 22 ILE N N 3.988 3.235 7.988 1.00 . A A . 22 ILE N 1 1 10 4877 1 1 22 ILE O O 5.222 1.093 10.447 1.00 . A A . 22 ILE O 1 1 10 4878 1 1 23 LYS C C 6.260 -0.756 8.262 1.00 . A A . 23 LYS C 1 1 10 4879 1 1 23 LYS CA C 4.743 -0.791 8.460 1.00 . A A . 23 LYS CA 1 1 10 4880 1 1 23 LYS CB C 4.004 -1.624 7.411 1.00 . A A . 23 LYS CB 1 1 10 4881 1 1 23 LYS CD C 4.411 -3.567 8.966 1.00 . A A . 23 LYS CD 1 1 10 4882 1 1 23 LYS CE C 4.177 -5.078 9.014 1.00 . A A . 23 LYS CE 1 1 10 4883 1 1 23 LYS CG C 3.406 -2.886 8.035 1.00 . A A . 23 LYS CG 1 1 10 4884 1 1 23 LYS H H 3.658 0.818 7.702 1.00 . A A . 23 LYS H 1 1 10 4885 1 1 23 LYS HA H 4.532 -1.236 9.432 1.00 . A A . 23 LYS HA 1 1 10 4886 1 1 23 LYS HB2 H 3.213 -1.027 6.958 1.00 . A A . 23 LYS HB2 1 1 10 4887 1 1 23 LYS HB3 H 4.692 -1.900 6.611 1.00 . A A . 23 LYS HB3 1 1 10 4888 1 1 23 LYS HD2 H 5.425 -3.364 8.623 1.00 . A A . 23 LYS HD2 1 1 10 4889 1 1 23 LYS HD3 H 4.324 -3.150 9.969 1.00 . A A . 23 LYS HD3 1 1 10 4890 1 1 23 LYS HE2 H 3.212 -5.288 9.476 1.00 . A A . 23 LYS HE2 1 1 10 4891 1 1 23 LYS HE3 H 4.139 -5.479 8.001 1.00 . A A . 23 LYS HE3 1 1 10 4892 1 1 23 LYS HG2 H 2.505 -2.629 8.592 1.00 . A A . 23 LYS HG2 1 1 10 4893 1 1 23 LYS HG3 H 3.107 -3.579 7.248 1.00 . A A . 23 LYS HG3 1 1 10 4894 1 1 23 LYS HZ1 H 5.411 -5.252 10.634 1.00 . A A . 23 LYS HZ1 1 1 10 4895 1 1 23 LYS HZ2 H 4.985 -6.687 9.981 1.00 . A A . 23 LYS HZ2 1 1 10 4896 1 1 23 LYS HZ3 H 6.095 -5.748 9.236 1.00 . A A . 23 LYS HZ3 1 1 10 4897 1 1 23 LYS N N 4.230 0.568 8.483 1.00 . A A . 23 LYS N 1 1 10 4898 1 1 23 LYS NZ N 5.254 -5.746 9.778 1.00 . A A . 23 LYS NZ 1 1 10 4899 1 1 23 LYS O O 6.924 -1.788 8.344 1.00 . A A . 23 LYS O 1 1 10 4900 1 1 24 THR C C 8.557 2.107 7.891 1.00 . A A . 24 THR C 1 1 10 4901 1 1 24 THR CA C 8.189 0.626 7.793 1.00 . A A . 24 THR CA 1 1 10 4902 1 1 24 THR CB C 8.552 -0.003 6.446 1.00 . A A . 24 THR CB 1 1 10 4903 1 1 24 THR CG2 C 7.797 0.636 5.279 1.00 . A A . 24 THR CG2 1 1 10 4904 1 1 24 THR H H 6.216 1.277 7.938 1.00 . A A . 24 THR H 1 1 10 4905 1 1 24 THR HA H 8.723 0.110 8.591 1.00 . A A . 24 THR HA 1 1 10 4906 1 1 24 THR HB H 8.398 -1.082 6.466 1.00 . A A . 24 THR HB 1 1 10 4907 1 1 24 THR HG1 H 10.494 -0.425 6.212 1.00 . A A . 24 THR HG1 1 1 10 4908 1 1 24 THR HG21 H 7.321 1.557 5.615 1.00 . A A . 24 THR HG21 1 1 10 4909 1 1 24 THR HG22 H 8.497 0.862 4.474 1.00 . A A . 24 THR HG22 1 1 10 4910 1 1 24 THR HG23 H 7.036 -0.055 4.916 1.00 . A A . 24 THR HG23 1 1 10 4911 1 1 24 THR N N 6.763 0.442 8.004 1.00 . A A . 24 THR N 1 1 10 4912 1 1 24 THR O O 8.220 2.771 8.871 1.00 . A A . 24 THR O 1 1 10 4913 1 1 24 THR OG1 O 9.907 0.384 6.236 1.00 . A A . 24 THR OG1 1 1 10 4914 1 1 25 ALA C C 10.690 4.160 5.704 1.00 . A A . 25 ALA C 1 1 10 4915 1 1 25 ALA CA C 9.659 3.975 6.819 1.00 . A A . 25 ALA CA 1 1 10 4916 1 1 25 ALA CB C 10.202 4.387 8.189 1.00 . A A . 25 ALA CB 1 1 10 4917 1 1 25 ALA H H 9.511 2.037 6.068 1.00 . A A . 25 ALA H 1 1 10 4918 1 1 25 ALA HA H 8.780 4.578 6.594 1.00 . A A . 25 ALA HA 1 1 10 4919 1 1 25 ALA HB1 H 10.477 3.496 8.754 1.00 . A A . 25 ALA HB1 1 1 10 4920 1 1 25 ALA HB2 H 11.080 5.019 8.057 1.00 . A A . 25 ALA HB2 1 1 10 4921 1 1 25 ALA HB3 H 9.435 4.940 8.732 1.00 . A A . 25 ALA HB3 1 1 10 4922 1 1 25 ALA N N 9.242 2.583 6.862 1.00 . A A . 25 ALA N 1 1 10 4923 1 1 25 ALA O O 11.805 4.616 5.954 1.00 . A A . 25 ALA O 1 1 10 4924 1 1 26 PHE C C 10.453 3.434 2.072 1.00 . A A . 26 PHE C 1 1 10 4925 1 1 26 PHE CA C 11.154 3.918 3.343 1.00 . A A . 26 PHE CA 1 1 10 4926 1 1 26 PHE CB C 12.372 3.031 3.609 1.00 . A A . 26 PHE CB 1 1 10 4927 1 1 26 PHE CD1 C 10.769 1.107 3.591 1.00 . A A . 26 PHE CD1 1 1 10 4928 1 1 26 PHE CD2 C 13.075 0.628 3.652 1.00 . A A . 26 PHE CD2 1 1 10 4929 1 1 26 PHE CE1 C 10.480 -0.284 3.599 1.00 . A A . 26 PHE CE1 1 1 10 4930 1 1 26 PHE CE2 C 12.786 -0.763 3.660 1.00 . A A . 26 PHE CE2 1 1 10 4931 1 1 26 PHE CG C 12.060 1.533 3.618 1.00 . A A . 26 PHE CG 1 1 10 4932 1 1 26 PHE CZ C 11.494 -1.189 3.633 1.00 . A A . 26 PHE CZ 1 1 10 4933 1 1 26 PHE H H 9.372 3.428 4.303 1.00 . A A . 26 PHE H 1 1 10 4934 1 1 26 PHE HA H 11.407 4.973 3.237 1.00 . A A . 26 PHE HA 1 1 10 4935 1 1 26 PHE HB2 H 13.127 3.230 2.848 1.00 . A A . 26 PHE HB2 1 1 10 4936 1 1 26 PHE HB3 H 12.807 3.307 4.570 1.00 . A A . 26 PHE HB3 1 1 10 4937 1 1 26 PHE HD1 H 9.956 1.832 3.563 1.00 . A A . 26 PHE HD1 1 1 10 4938 1 1 26 PHE HD2 H 14.110 0.969 3.674 1.00 . A A . 26 PHE HD2 1 1 10 4939 1 1 26 PHE HE1 H 9.445 -0.625 3.577 1.00 . A A . 26 PHE HE1 1 1 10 4940 1 1 26 PHE HE2 H 13.598 -1.488 3.688 1.00 . A A . 26 PHE HE2 1 1 10 4941 1 1 26 PHE HZ H 11.272 -2.256 3.640 1.00 . A A . 26 PHE HZ 1 1 10 4942 1 1 26 PHE N N 10.280 3.797 4.497 1.00 . A A . 26 PHE N 1 1 10 4943 1 1 26 PHE O O 9.226 3.380 2.017 1.00 . A A . 26 PHE O 1 1 10 4944 1 1 27 ILE C C 11.498 1.358 -0.608 1.00 . A A . 27 ILE C 1 1 10 4945 1 1 27 ILE CA C 10.737 2.617 -0.187 1.00 . A A . 27 ILE CA 1 1 10 4946 1 1 27 ILE CB C 10.766 3.732 -1.234 1.00 . A A . 27 ILE CB 1 1 10 4947 1 1 27 ILE CD1 C 12.432 3.396 -3.098 1.00 . A A . 27 ILE CD1 1 1 10 4948 1 1 27 ILE CG1 C 12.195 3.999 -1.711 1.00 . A A . 27 ILE CG1 1 1 10 4949 1 1 27 ILE CG2 C 10.093 4.999 -0.704 1.00 . A A . 27 ILE CG2 1 1 10 4950 1 1 27 ILE H H 12.262 3.141 1.132 1.00 . A A . 27 ILE H 1 1 10 4951 1 1 27 ILE HA H 9.692 2.352 -0.027 1.00 . A A . 27 ILE HA 1 1 10 4952 1 1 27 ILE HB H 10.194 3.402 -2.101 1.00 . A A . 27 ILE HB 1 1 10 4953 1 1 27 ILE HD11 H 13.499 3.234 -3.246 1.00 . A A . 27 ILE HD11 1 1 10 4954 1 1 27 ILE HD12 H 11.905 2.445 -3.175 1.00 . A A . 27 ILE HD12 1 1 10 4955 1 1 27 ILE HD13 H 12.059 4.081 -3.860 1.00 . A A . 27 ILE HD13 1 1 10 4956 1 1 27 ILE HG12 H 12.378 5.073 -1.742 1.00 . A A . 27 ILE HG12 1 1 10 4957 1 1 27 ILE HG13 H 12.905 3.575 -1.001 1.00 . A A . 27 ILE HG13 1 1 10 4958 1 1 27 ILE HG21 H 10.852 5.753 -0.493 1.00 . A A . 27 ILE HG21 1 1 10 4959 1 1 27 ILE HG22 H 9.399 5.383 -1.452 1.00 . A A . 27 ILE HG22 1 1 10 4960 1 1 27 ILE HG23 H 9.548 4.766 0.211 1.00 . A A . 27 ILE HG23 1 1 10 4961 1 1 27 ILE N N 11.264 3.094 1.080 1.00 . A A . 27 ILE N 1 1 10 4962 1 1 27 ILE O O 12.502 1.441 -1.314 1.00 . A A . 27 ILE O 1 1 10 4963 1 1 28 VAL C C 10.607 -2.183 -0.222 1.00 . A A . 28 VAL C 1 1 10 4964 1 1 28 VAL CA C 11.608 -1.055 -0.480 1.00 . A A . 28 VAL CA 1 1 10 4965 1 1 28 VAL CB C 12.909 -1.219 0.309 1.00 . A A . 28 VAL CB 1 1 10 4966 1 1 28 VAL CG1 C 13.303 -2.694 0.417 1.00 . A A . 28 VAL CG1 1 1 10 4967 1 1 28 VAL CG2 C 14.037 -0.395 -0.316 1.00 . A A . 28 VAL CG2 1 1 10 4968 1 1 28 VAL H H 10.173 0.160 0.415 1.00 . A A . 28 VAL H 1 1 10 4969 1 1 28 VAL HA H 11.856 -1.042 -1.541 1.00 . A A . 28 VAL HA 1 1 10 4970 1 1 28 VAL HB H 12.739 -0.843 1.318 1.00 . A A . 28 VAL HB 1 1 10 4971 1 1 28 VAL HG11 H 12.957 -3.093 1.370 1.00 . A A . 28 VAL HG11 1 1 10 4972 1 1 28 VAL HG12 H 12.845 -3.252 -0.399 1.00 . A A . 28 VAL HG12 1 1 10 4973 1 1 28 VAL HG13 H 14.387 -2.785 0.356 1.00 . A A . 28 VAL HG13 1 1 10 4974 1 1 28 VAL HG21 H 13.897 -0.348 -1.396 1.00 . A A . 28 VAL HG21 1 1 10 4975 1 1 28 VAL HG22 H 14.021 0.614 0.096 1.00 . A A . 28 VAL HG22 1 1 10 4976 1 1 28 VAL HG23 H 14.996 -0.863 -0.093 1.00 . A A . 28 VAL HG23 1 1 10 4977 1 1 28 VAL N N 10.990 0.220 -0.158 1.00 . A A . 28 VAL N 1 1 10 4978 1 1 28 VAL O O 10.394 -3.037 -1.081 1.00 . A A . 28 VAL O 1 1 10 4979 1 1 29 VAL C C 7.783 -2.469 1.870 1.00 . A A . 29 VAL C 1 1 10 4980 1 1 29 VAL CA C 9.046 -3.157 1.347 1.00 . A A . 29 VAL CA 1 1 10 4981 1 1 29 VAL CB C 9.663 -4.124 2.360 1.00 . A A . 29 VAL CB 1 1 10 4982 1 1 29 VAL CG1 C 8.751 -5.331 2.592 1.00 . A A . 29 VAL CG1 1 1 10 4983 1 1 29 VAL CG2 C 11.058 -4.567 1.916 1.00 . A A . 29 VAL CG2 1 1 10 4984 1 1 29 VAL H H 10.199 -1.451 1.658 1.00 . A A . 29 VAL H 1 1 10 4985 1 1 29 VAL HA H 8.791 -3.724 0.452 1.00 . A A . 29 VAL HA 1 1 10 4986 1 1 29 VAL HB H 9.766 -3.595 3.308 1.00 . A A . 29 VAL HB 1 1 10 4987 1 1 29 VAL HG11 H 9.330 -6.143 3.033 1.00 . A A . 29 VAL HG11 1 1 10 4988 1 1 29 VAL HG12 H 7.943 -5.051 3.268 1.00 . A A . 29 VAL HG12 1 1 10 4989 1 1 29 VAL HG13 H 8.333 -5.658 1.640 1.00 . A A . 29 VAL HG13 1 1 10 4990 1 1 29 VAL HG21 H 11.112 -5.656 1.920 1.00 . A A . 29 VAL HG21 1 1 10 4991 1 1 29 VAL HG22 H 11.253 -4.198 0.909 1.00 . A A . 29 VAL HG22 1 1 10 4992 1 1 29 VAL HG23 H 11.803 -4.163 2.601 1.00 . A A . 29 VAL HG23 1 1 10 4993 1 1 29 VAL N N 10.019 -2.149 0.965 1.00 . A A . 29 VAL N 1 1 10 4994 1 1 29 VAL O O 6.865 -3.131 2.351 1.00 . A A . 29 VAL O 1 1 10 4995 1 1 30 ALA C C 5.484 -0.533 1.230 1.00 . A A . 30 ALA C 1 1 10 4996 1 1 30 ALA CA C 6.644 -0.363 2.214 1.00 . A A . 30 ALA CA 1 1 10 4997 1 1 30 ALA CB C 7.065 1.099 2.372 1.00 . A A . 30 ALA CB 1 1 10 4998 1 1 30 ALA H H 8.529 -0.618 1.366 1.00 . A A . 30 ALA H 1 1 10 4999 1 1 30 ALA HA H 6.343 -0.749 3.188 1.00 . A A . 30 ALA HA 1 1 10 5000 1 1 30 ALA HB1 H 6.713 1.477 3.332 1.00 . A A . 30 ALA HB1 1 1 10 5001 1 1 30 ALA HB2 H 8.152 1.170 2.330 1.00 . A A . 30 ALA HB2 1 1 10 5002 1 1 30 ALA HB3 H 6.631 1.691 1.567 1.00 . A A . 30 ALA HB3 1 1 10 5003 1 1 30 ALA N N 7.778 -1.149 1.759 1.00 . A A . 30 ALA N 1 1 10 5004 1 1 30 ALA O O 4.384 -0.919 1.623 1.00 . A A . 30 ALA O 1 1 10 5005 1 1 31 LEU C C 4.123 -1.738 -1.005 1.00 . A A . 31 LEU C 1 1 10 5006 1 1 31 LEU CA C 4.764 -0.351 -1.071 1.00 . A A . 31 LEU CA 1 1 10 5007 1 1 31 LEU CB C 5.368 -0.017 -2.437 1.00 . A A . 31 LEU CB 1 1 10 5008 1 1 31 LEU CD1 C 6.944 -1.201 -4.010 1.00 . A A . 31 LEU CD1 1 1 10 5009 1 1 31 LEU CD2 C 7.788 0.685 -2.538 1.00 . A A . 31 LEU CD2 1 1 10 5010 1 1 31 LEU CG C 6.807 -0.482 -2.666 1.00 . A A . 31 LEU CG 1 1 10 5011 1 1 31 LEU H H 6.667 0.077 -0.340 1.00 . A A . 31 LEU H 1 1 10 5012 1 1 31 LEU HA H 3.996 0.395 -0.868 1.00 . A A . 31 LEU HA 1 1 10 5013 1 1 31 LEU HB2 H 4.737 -0.458 -3.209 1.00 . A A . 31 LEU HB2 1 1 10 5014 1 1 31 LEU HB3 H 5.330 1.064 -2.574 1.00 . A A . 31 LEU HB3 1 1 10 5015 1 1 31 LEU HD11 H 7.877 -0.902 -4.488 1.00 . A A . 31 LEU HD11 1 1 10 5016 1 1 31 LEU HD12 H 6.949 -2.278 -3.847 1.00 . A A . 31 LEU HD12 1 1 10 5017 1 1 31 LEU HD13 H 6.104 -0.934 -4.652 1.00 . A A . 31 LEU HD13 1 1 10 5018 1 1 31 LEU HD21 H 7.694 1.336 -3.407 1.00 . A A . 31 LEU HD21 1 1 10 5019 1 1 31 LEU HD22 H 7.563 1.251 -1.634 1.00 . A A . 31 LEU HD22 1 1 10 5020 1 1 31 LEU HD23 H 8.806 0.300 -2.481 1.00 . A A . 31 LEU HD23 1 1 10 5021 1 1 31 LEU HG H 7.061 -1.203 -1.888 1.00 . A A . 31 LEU HG 1 1 10 5022 1 1 31 LEU N N 5.770 -0.236 -0.029 1.00 . A A . 31 LEU N 1 1 10 5023 1 1 31 LEU O O 2.903 -1.867 -1.097 1.00 . A A . 31 LEU O 1 1 10 5024 1 1 32 GLY C C 5.675 -5.082 -0.573 1.00 . A A . 32 GLY C 1 1 10 5025 1 1 32 GLY CA C 4.505 -4.114 -0.767 1.00 . A A . 32 GLY CA 1 1 10 5026 1 1 32 GLY H H 5.965 -2.628 -0.772 1.00 . A A . 32 GLY H 1 1 10 5027 1 1 32 GLY HA2 H 3.804 -4.216 0.062 1.00 . A A . 32 GLY HA2 1 1 10 5028 1 1 32 GLY HA3 H 3.963 -4.371 -1.677 1.00 . A A . 32 GLY HA3 1 1 10 5029 1 1 32 GLY N N 4.974 -2.741 -0.846 1.00 . A A . 32 GLY N 1 1 10 5030 1 1 32 GLY O O 6.833 -4.701 -0.733 1.00 . A A . 32 GLY O 1 1 stop_ save_
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