NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
595081 | 2mud | 25206 | cing | 4-filtered-FRED | STAR | entry | full | 245 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mud # This FRED archive file contains, for PDB entry <2mud>: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # modifications could have occurred to the NMR restraints information, or data # could have been lost because of parsing or conversion errors. The PDB file # remains the authoritative reference for the atomic coordinates and the # originally deposited restraints files remain the primary reference for these # data. # # This file is generated at the BioMagResBank (BMRB) in collaboration with the # PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and # the CMBI/IMM group at the Radboud University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396. save_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_2mud _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2mud _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2393.70 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 $Variant_specific_surface_protein A . 1 1 stop_ save_ save_Variant_specific_surface_protein _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Variant specific surface protein" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XESAKHMFDRIGKDVYDKVKEX _Entity.Number_of_monomers 22 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 ACE $ACE 1 1 2 GLU . 1 1 3 SER . 1 1 4 ALA . 1 1 5 LYS . 1 1 6 HIS . 1 1 7 MET . 1 1 8 PHE . 1 1 9 ASP . 1 1 10 ARG . 1 1 11 ILE . 1 1 12 GLY . 1 1 13 LYS . 1 1 14 ASP . 1 1 15 VAL . 1 1 16 TYR . 1 1 17 ASP . 1 1 18 LYS . 1 1 19 VAL . 1 1 20 LYS . 1 1 21 GLU . 1 1 22 NH2 $NH2 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 ACE 1 1 1 1 GLU 2 2 1 1 SER 3 3 1 1 ALA 4 4 1 1 LYS 5 5 1 1 HIS 6 6 1 1 MET 7 7 1 1 PHE 8 8 1 1 ASP 9 9 1 1 ARG 10 10 1 1 ILE 11 11 1 1 GLY 12 12 1 1 LYS 13 13 1 1 ASP 14 14 1 1 VAL 15 15 1 1 TYR 16 16 1 1 ASP 17 17 1 1 LYS 18 18 1 1 VAL 19 19 1 1 LYS 20 20 1 1 GLU 21 21 1 1 NH2 22 22 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID ACE _Chem_comp.Type non-polymer save_ save_Discover_distance_constraints_5_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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 GLU H 1 1 GLU HN 1 1 1 1 2 1 1 2 GLU HA 1 1 GLU HA 1 1 2 1 1 1 1 3 SER H 1 2 SER HN 1 1 2 1 2 1 1 3 SER HA 1 2 SER HA 1 1 3 1 1 1 1 4 ALA H 1 3 ALA HN 1 1 3 1 2 1 1 4 ALA HA 1 3 ALA HA 1 1 4 1 1 1 1 5 LYS H 1 4 LYS HN 1 1 4 1 2 1 1 5 LYS HA 1 4 LYS HA 1 1 5 1 1 1 1 6 HIS H 1 5 HIS HN 1 1 5 1 2 1 1 6 HIS QB 1 5 HIS HB* 1 1 6 1 1 1 1 14 ASP H 1 13 ASP HN 1 1 6 1 2 1 1 14 ASP HB2 1 13 ASP HBS 1 1 7 1 1 1 1 14 ASP H 1 13 ASP HN 1 1 7 1 2 1 1 14 ASP HB3 1 13 ASP HBR 1 1 8 1 1 1 1 16 TYR H 1 15 TYR HN 1 1 8 1 2 1 1 16 TYR QB 1 15 TYR HB* 1 1 9 1 1 1 1 14 ASP HB3 1 13 ASP HBR 1 1 9 1 2 1 1 15 VAL H 1 14 VAL HN 1 1 10 1 1 1 1 14 ASP HB2 1 13 ASP HBS 1 1 10 1 2 1 1 15 VAL H 1 14 VAL HN 1 1 11 1 1 1 1 8 PHE HB3 1 7 PHE HBS 1 1 11 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 12 1 1 1 1 8 PHE HB2 1 7 PHE HBR 1 1 12 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 13 1 1 1 1 8 PHE H 1 7 PHE HN 1 1 13 1 2 1 1 8 PHE HB2 1 7 PHE HBR 1 1 14 1 1 1 1 8 PHE H 1 7 PHE HN 1 1 14 1 2 1 1 8 PHE HB3 1 7 PHE HBS 1 1 15 1 1 1 1 17 ASP H 1 16 ASP HN 1 1 15 1 2 1 1 17 ASP HB2 1 16 ASP HBS 1 1 16 1 1 1 1 17 ASP H 1 16 ASP HN 1 1 16 1 2 1 1 17 ASP HB3 1 16 ASP HBR 1 1 17 1 1 1 1 9 ASP H 1 8 ASP HN 1 1 17 1 2 1 1 9 ASP HB2 1 8 ASP HBS 1 1 18 1 1 1 1 9 ASP H 1 8 ASP HN 1 1 18 1 2 1 1 9 ASP HB3 1 8 ASP HBR 1 1 19 1 1 1 1 7 MET H 1 6 MET HN 1 1 19 1 2 1 1 7 MET HA 1 6 MET HA 1 1 20 1 1 1 1 3 SER HA 1 2 SER HA 1 1 20 1 2 1 1 4 ALA H 1 3 ALA HN 1 1 21 1 1 1 1 6 HIS H 1 5 HIS HN 1 1 21 1 2 1 1 6 HIS HA 1 5 HIS HA 1 1 22 1 1 1 1 14 ASP HA 1 13 ASP HA 1 1 22 1 2 1 1 15 VAL H 1 14 VAL HN 1 1 23 1 1 1 1 9 ASP H 1 8 ASP HN 1 1 23 1 2 1 1 9 ASP HA 1 8 ASP HA 1 1 24 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 24 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 25 1 1 1 1 8 PHE H 1 7 PHE HN 1 1 25 1 2 1 1 8 PHE HA 1 7 PHE HA 1 1 26 1 1 1 1 18 LYS HA 1 17 LYS HA 1 1 26 1 2 1 1 19 VAL H 1 18 VAL HN 1 1 27 1 1 1 1 20 LYS H 1 19 LYS HN 1 1 27 1 2 1 1 20 LYS HA 1 19 LYS HA 1 1 28 1 1 1 1 5 LYS HA 1 4 LYS HA 1 1 28 1 2 1 1 6 HIS H 1 5 HIS HN 1 1 29 1 1 1 1 13 LYS HA 1 12 LYS HA 1 1 29 1 2 1 1 14 ASP H 1 13 ASP HN 1 1 30 1 1 1 1 10 ARG HA 1 9 ARG HA 1 1 30 1 2 1 1 11 ILE H 1 10 ILE HN 1 1 31 1 1 1 1 13 LYS H 1 12 LYS HN 1 1 31 1 2 1 1 13 LYS HA 1 12 LYS HA 1 1 32 1 1 1 1 18 LYS H 1 17 LYS HN 1 1 32 1 2 1 1 18 LYS HA 1 17 LYS HA 1 1 33 1 1 1 1 10 ARG H 1 9 ARG HN 1 1 33 1 2 1 1 10 ARG HA 1 9 ARG HA 1 1 34 1 1 1 1 21 GLU H 1 20 GLU HN 1 1 34 1 2 1 1 21 GLU HA 1 20 GLU HA 1 1 35 1 1 1 1 3 SER H 1 2 SER HN 1 1 35 1 2 1 1 3 SER HB3 1 2 SER HBR 1 1 36 1 1 1 1 3 SER H 1 2 SER HN 1 1 36 1 2 1 1 3 SER HB2 1 2 SER HBS 1 1 37 1 1 1 1 12 GLY H 1 11 GLY HN 1 1 37 1 2 1 1 12 GLY HA3 1 11 GLY HAS 1 1 38 1 1 1 1 12 GLY H 1 11 GLY HN 1 1 38 1 2 1 1 12 GLY HA2 1 11 GLY HAR 1 1 39 1 1 1 1 15 VAL H 1 14 VAL HN 1 1 39 1 2 1 1 15 VAL HA 1 14 VAL HA 1 1 40 1 1 1 1 19 VAL H 1 18 VAL HN 1 1 40 1 2 1 1 19 VAL HA 1 18 VAL HA 1 1 41 1 1 1 1 11 ILE H 1 10 ILE HN 1 1 41 1 2 1 1 11 ILE HA 1 10 ILE HA 1 1 42 1 1 1 1 9 ASP HB3 1 8 ASP HBR 1 1 42 1 2 1 1 10 ARG H 1 9 ARG HN 1 1 43 1 1 1 1 9 ASP HB2 1 8 ASP HBS 1 1 43 1 2 1 1 10 ARG H 1 9 ARG HN 1 1 44 1 1 1 1 7 MET H 1 6 MET HN 1 1 44 1 2 1 1 7 MET HG3 1 6 MET HGR 1 1 45 1 1 1 1 7 MET H 1 6 MET HN 1 1 45 1 2 1 1 7 MET HG2 1 6 MET HGS 1 1 46 1 1 1 1 2 GLU H 1 1 GLU HN 1 1 46 1 2 1 1 2 GLU QG 1 1 GLU HG* 1 1 47 1 1 1 1 2 GLU QG 1 1 GLU HG* 1 1 47 1 2 1 1 3 SER H 1 2 SER HN 1 1 48 1 1 1 1 21 GLU H 1 20 GLU HN 1 1 48 1 2 1 1 21 GLU QG 1 20 GLU HG* 1 1 49 1 1 1 1 2 GLU H 1 1 GLU HN 1 1 49 1 2 1 1 2 GLU HB2 1 1 GLU HBR 1 1 50 1 1 1 1 2 GLU HB2 1 1 GLU HBR 1 1 50 1 2 1 1 3 SER H 1 2 SER HN 1 1 51 1 1 1 1 2 GLU H 1 1 GLU HN 1 1 51 1 2 1 1 2 GLU HB3 1 1 GLU HBS 1 1 52 1 1 1 1 11 ILE HB 1 10 ILE HB 1 1 52 1 2 1 1 12 GLY H 1 11 GLY HN 1 1 53 1 1 1 1 18 LYS QB 1 17 LYS HB* 1 1 53 1 2 1 1 19 VAL H 1 18 VAL HN 1 1 54 1 1 1 1 15 VAL H 1 14 VAL HN 1 1 54 1 2 1 1 15 VAL HB 1 14 VAL HB 1 1 55 1 1 1 1 19 VAL HB 1 18 VAL HB 1 1 55 1 2 1 1 20 LYS H 1 19 LYS HN 1 1 56 1 1 1 1 7 MET H 1 6 MET HN 1 1 56 1 2 1 1 7 MET QB 1 6 MET HB* 1 1 57 1 1 1 1 11 ILE H 1 10 ILE HN 1 1 57 1 2 1 1 11 ILE HB 1 10 ILE HB 1 1 58 1 1 1 1 5 LYS QB 1 4 LYS HB* 1 1 58 1 2 1 1 6 HIS H 1 5 HIS HN 1 1 59 1 1 1 1 5 LYS H 1 4 LYS HN 1 1 59 1 2 1 1 5 LYS QB 1 4 LYS HB* 1 1 60 1 1 1 1 13 LYS H 1 12 LYS HN 1 1 60 1 2 1 1 13 LYS QB 1 12 LYS HB* 1 1 61 1 1 1 1 10 ARG H 1 9 ARG HN 1 1 61 1 2 1 1 10 ARG QB 1 9 ARG HB* 1 1 62 1 1 1 1 18 LYS H 1 17 LYS HN 1 1 62 1 2 1 1 18 LYS QB 1 17 LYS HB* 1 1 63 1 1 1 1 21 GLU H 1 20 GLU HN 1 1 63 1 2 1 1 21 GLU HB3 1 20 GLU HBS 1 1 64 1 1 1 1 21 GLU H 1 20 GLU HN 1 1 64 1 2 1 1 21 GLU HB2 1 20 GLU HBR 1 1 65 1 1 1 1 2 GLU HB2 1 1 GLU HBR 1 1 65 1 2 1 1 4 ALA H 1 3 ALA HN 1 1 66 1 1 1 1 10 ARG QB 1 9 ARG HB* 1 1 66 1 2 1 1 14 ASP H 1 13 ASP HN 1 1 67 1 1 1 1 15 VAL HB 1 14 VAL HB 1 1 67 1 2 1 1 18 LYS H 1 17 LYS HN 1 1 68 1 1 1 1 2 GLU HB2 1 1 GLU HBR 1 1 68 1 2 1 1 5 LYS H 1 4 LYS HN 1 1 69 1 1 1 1 20 LYS H 1 19 LYS HN 1 1 69 1 2 1 1 20 LYS QB 1 19 LYS HB* 1 1 70 1 1 1 1 20 LYS QB 1 19 LYS HB* 1 1 70 1 2 1 1 21 GLU H 1 20 GLU HN 1 1 71 1 1 1 1 4 ALA H 1 3 ALA HN 1 1 71 1 2 1 1 4 ALA MB 1 3 ALA HB* 1 1 72 1 1 1 1 3 SER H 1 2 SER HN 1 1 72 1 2 1 1 4 ALA MB 1 3 ALA HB* 1 1 73 1 1 1 1 4 ALA MB 1 3 ALA HB* 1 1 73 1 2 1 1 5 LYS H 1 4 LYS HN 1 1 74 1 1 1 1 4 ALA MB 1 3 ALA HB* 1 1 74 1 2 1 1 7 MET H 1 6 MET HN 1 1 75 1 1 1 1 11 ILE MG 1 10 ILE HG2* 1 1 75 1 2 1 1 12 GLY H 1 11 GLY HN 1 1 76 1 1 1 1 15 VAL H 1 14 VAL HN 1 1 76 1 2 1 1 15 VAL MG2 1 14 VAL HGS* 1 1 77 1 1 1 1 15 VAL H 1 14 VAL HN 1 1 77 1 2 1 1 15 VAL MG1 1 14 VAL HGR* 1 1 78 1 1 1 1 15 VAL MG2 1 14 VAL HGS* 1 1 78 1 2 1 1 16 TYR H 1 15 TYR HN 1 1 79 1 1 1 1 15 VAL MG1 1 14 VAL HGR* 1 1 79 1 2 1 1 16 TYR H 1 15 TYR HN 1 1 80 1 1 1 1 11 ILE H 1 10 ILE HN 1 1 80 1 2 1 1 11 ILE MG 1 10 ILE HG2* 1 1 81 1 1 1 1 11 ILE H 1 10 ILE HN 1 1 81 1 2 1 1 11 ILE MD 1 10 ILE HD1* 1 1 82 1 1 1 1 11 ILE H 1 10 ILE HN 1 1 82 1 2 1 1 11 ILE HG13 1 10 ILE HG1S 1 1 83 1 1 1 1 11 ILE H 1 10 ILE HN 1 1 83 1 2 1 1 11 ILE HG12 1 10 ILE HG1R 1 1 84 1 1 1 1 6 HIS QB 1 5 HIS HB* 1 1 84 1 2 1 1 6 HIS HD2 1 5 HIS HD2 1 1 85 1 1 1 1 8 PHE HB2 1 7 PHE HBR 1 1 85 1 2 1 1 8 PHE QE 1 7 PHE HE* 1 1 86 1 1 1 1 8 PHE HB3 1 7 PHE HBS 1 1 86 1 2 1 1 8 PHE QE 1 7 PHE HE* 1 1 87 1 1 1 1 16 TYR QB 1 15 TYR HB* 1 1 87 1 2 1 1 16 TYR QD 1 15 TYR HD* 1 1 88 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 88 1 2 1 1 17 ASP H 1 16 ASP HN 1 1 89 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 89 1 2 1 1 16 TYR H 1 15 TYR HN 1 1 90 1 1 1 1 19 VAL HA 1 18 VAL HA 1 1 90 1 2 1 1 20 LYS H 1 19 LYS HN 1 1 91 1 1 1 1 12 GLY HA3 1 11 GLY HAS 1 1 91 1 2 1 1 13 LYS H 1 12 LYS HN 1 1 92 1 1 1 1 12 GLY HA2 1 11 GLY HAR 1 1 92 1 2 1 1 13 LYS H 1 12 LYS HN 1 1 93 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 93 1 2 1 1 18 LYS H 1 17 LYS HN 1 1 94 1 1 1 1 19 VAL HA 1 18 VAL HA 1 1 94 1 2 1 1 21 GLU H 1 20 GLU HN 1 1 95 1 1 1 1 3 SER HB3 1 2 SER HBR 1 1 95 1 2 1 1 4 ALA H 1 3 ALA HN 1 1 96 1 1 1 1 3 SER HB2 1 2 SER HBS 1 1 96 1 2 1 1 4 ALA H 1 3 ALA HN 1 1 97 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 97 1 2 1 1 14 ASP H 1 13 ASP HN 1 1 98 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 98 1 2 1 1 12 GLY H 1 11 GLY HN 1 1 99 1 1 1 1 5 LYS HA 1 4 LYS HA 1 1 99 1 2 1 1 8 PHE H 1 7 PHE HN 1 1 100 1 1 1 1 5 LYS HA 1 4 LYS HA 1 1 100 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 101 1 1 1 1 4 ALA HA 1 3 ALA HA 1 1 101 1 2 1 1 8 PHE H 1 7 PHE HN 1 1 102 1 1 1 1 13 LYS HA 1 12 LYS HA 1 1 102 1 2 1 1 17 ASP H 1 16 ASP HN 1 1 103 1 1 1 1 4 ALA HA 1 3 ALA HA 1 1 103 1 2 1 1 5 LYS H 1 4 LYS HN 1 1 104 1 1 1 1 20 LYS HA 1 19 LYS HA 1 1 104 1 2 1 1 21 GLU H 1 20 GLU HN 1 1 105 1 1 1 1 2 GLU HA 1 1 GLU HA 1 1 105 1 2 1 1 5 LYS H 1 4 LYS HN 1 1 106 1 1 1 1 7 MET HA 1 6 MET HA 1 1 106 1 2 1 1 10 ARG H 1 9 ARG HN 1 1 107 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 107 1 2 1 1 13 LYS H 1 12 LYS HN 1 1 108 1 1 1 1 2 GLU HA 1 1 GLU HA 1 1 108 1 2 1 1 3 SER H 1 2 SER HN 1 1 109 1 1 1 1 7 MET HA 1 6 MET HA 1 1 109 1 2 1 1 8 PHE H 1 7 PHE HN 1 1 110 1 1 1 1 7 MET HA 1 6 MET HA 1 1 110 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 111 1 1 1 1 17 ASP HA 1 16 ASP HA 1 1 111 1 2 1 1 20 LYS H 1 19 LYS HN 1 1 112 1 1 1 1 3 SER HA 1 2 SER HA 1 1 112 1 2 1 1 6 HIS H 1 5 HIS HN 1 1 113 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 113 1 2 1 1 11 ILE H 1 10 ILE HN 1 1 114 1 1 1 1 3 SER HA 1 2 SER HA 1 1 114 1 2 1 1 5 LYS H 1 4 LYS HN 1 1 115 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 115 1 2 1 1 10 ARG H 1 9 ARG HN 1 1 116 1 1 1 1 17 ASP HA 1 16 ASP HA 1 1 116 1 2 1 1 18 LYS H 1 17 LYS HN 1 1 117 1 1 1 1 6 HIS HA 1 5 HIS HA 1 1 117 1 2 1 1 8 PHE H 1 7 PHE HN 1 1 118 1 1 1 1 14 ASP HA 1 13 ASP HA 1 1 118 1 2 1 1 16 TYR H 1 15 TYR HN 1 1 119 1 1 1 1 6 HIS HA 1 5 HIS HA 1 1 119 1 2 1 1 10 ARG H 1 9 ARG HN 1 1 120 1 1 1 1 9 ASP HA 1 8 ASP HA 1 1 120 1 2 1 1 13 LYS H 1 12 LYS HN 1 1 121 1 1 1 1 16 TYR HA 1 15 TYR HA 1 1 121 1 2 1 1 16 TYR QE 1 15 TYR HE* 1 1 122 1 1 1 1 16 TYR HA 1 15 TYR HA 1 1 122 1 2 1 1 16 TYR QD 1 15 TYR HD* 1 1 123 1 1 1 1 16 TYR QD 1 15 TYR HD* 1 1 123 1 2 1 1 17 ASP HA 1 16 ASP HA 1 1 124 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 124 1 2 1 1 8 PHE QE 1 7 PHE HE* 1 1 125 1 1 1 1 6 HIS HA 1 5 HIS HA 1 1 125 1 2 1 1 6 HIS HD2 1 5 HIS HD2 1 1 126 1 1 1 1 3 SER HA 1 2 SER HA 1 1 126 1 2 1 1 3 SER HB2 1 2 SER HBS 1 1 127 1 1 1 1 3 SER HA 1 2 SER HA 1 1 127 1 2 1 1 3 SER HB3 1 2 SER HBR 1 1 128 1 1 1 1 5 LYS HA 1 4 LYS HA 1 1 128 1 2 1 1 8 PHE HB2 1 7 PHE HBR 1 1 129 1 1 1 1 4 ALA HA 1 3 ALA HA 1 1 129 1 2 1 1 8 PHE HB2 1 7 PHE HBR 1 1 130 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 130 1 2 1 1 14 ASP HB2 1 13 ASP HBS 1 1 131 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 131 1 2 1 1 14 ASP HB3 1 13 ASP HBR 1 1 132 1 1 1 1 5 LYS HA 1 4 LYS HA 1 1 132 1 2 1 1 8 PHE HB3 1 7 PHE HBS 1 1 133 1 1 1 1 3 SER HA 1 2 SER HA 1 1 133 1 2 1 1 6 HIS QB 1 5 HIS HB* 1 1 134 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 134 1 2 1 1 8 PHE HB2 1 7 PHE HBR 1 1 135 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 135 1 2 1 1 8 PHE HB3 1 7 PHE HBS 1 1 136 1 1 1 1 17 ASP HA 1 16 ASP HA 1 1 136 1 2 1 1 17 ASP HB2 1 16 ASP HBS 1 1 137 1 1 1 1 9 ASP HA 1 8 ASP HA 1 1 137 1 2 1 1 9 ASP HB2 1 8 ASP HBS 1 1 138 1 1 1 1 14 ASP HA 1 13 ASP HA 1 1 138 1 2 1 1 14 ASP HB2 1 13 ASP HBS 1 1 139 1 1 1 1 17 ASP HA 1 16 ASP HA 1 1 139 1 2 1 1 17 ASP HB3 1 16 ASP HBR 1 1 140 1 1 1 1 14 ASP HA 1 13 ASP HA 1 1 140 1 2 1 1 14 ASP HB3 1 13 ASP HBR 1 1 141 1 1 1 1 2 GLU HA 1 1 GLU HA 1 1 141 1 2 1 1 2 GLU QG 1 1 GLU HG* 1 1 142 1 1 1 1 21 GLU HA 1 20 GLU HA 1 1 142 1 2 1 1 21 GLU QG 1 20 GLU HG* 1 1 143 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 143 1 2 1 1 15 VAL HB 1 14 VAL HB 1 1 144 1 1 1 1 19 VAL HA 1 18 VAL HA 1 1 144 1 2 1 1 19 VAL HB 1 18 VAL HB 1 1 145 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 145 1 2 1 1 18 LYS QB 1 17 LYS HB* 1 1 146 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 146 1 2 1 1 11 ILE HB 1 10 ILE HB 1 1 147 1 1 1 1 18 LYS HA 1 17 LYS HA 1 1 147 1 2 1 1 21 GLU HB3 1 20 GLU HBS 1 1 148 1 1 1 1 4 ALA HA 1 3 ALA HA 1 1 148 1 2 1 1 7 MET QB 1 6 MET HB* 1 1 149 1 1 1 1 21 GLU HA 1 20 GLU HA 1 1 149 1 2 1 1 21 GLU HB2 1 20 GLU HBR 1 1 150 1 1 1 1 21 GLU HA 1 20 GLU HA 1 1 150 1 2 1 1 21 GLU HB3 1 20 GLU HBS 1 1 151 1 1 1 1 2 GLU HA 1 1 GLU HA 1 1 151 1 2 1 1 5 LYS QB 1 4 LYS HB* 1 1 152 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 152 1 2 1 1 11 ILE HB 1 10 ILE HB 1 1 153 1 1 1 1 17 ASP HA 1 16 ASP HA 1 1 153 1 2 1 1 20 LYS QB 1 19 LYS HB* 1 1 154 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 154 1 2 1 1 11 ILE HG12 1 10 ILE HG1R 1 1 155 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 155 1 2 1 1 11 ILE HG13 1 10 ILE HG1S 1 1 156 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 156 1 2 1 1 15 VAL MG1 1 14 VAL HGR* 1 1 157 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 157 1 2 1 1 15 VAL MG2 1 14 VAL HGS* 1 1 158 1 1 1 1 19 VAL HA 1 18 VAL HA 1 1 158 1 2 1 1 19 VAL MG2 1 18 VAL HGS* 1 1 159 1 1 1 1 19 VAL HA 1 18 VAL HA 1 1 159 1 2 1 1 19 VAL MG1 1 18 VAL HGR* 1 1 160 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 160 1 2 1 1 11 ILE MG 1 10 ILE HG2* 1 1 161 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 161 1 2 1 1 11 ILE MD 1 10 ILE HD1* 1 1 162 1 1 1 1 16 TYR HA 1 15 TYR HA 1 1 162 1 2 1 1 19 VAL MG1 1 18 VAL HGR* 1 1 163 1 1 1 1 16 TYR HA 1 15 TYR HA 1 1 163 1 2 1 1 19 VAL MG2 1 18 VAL HGS* 1 1 164 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 164 1 2 1 1 11 ILE MG 1 10 ILE HG2* 1 1 165 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 165 1 2 1 1 11 ILE MD 1 10 ILE HD1* 1 1 166 1 1 1 1 11 ILE HB 1 10 ILE HB 1 1 166 1 2 1 1 11 ILE MD 1 10 ILE HD1* 1 1 167 1 1 1 1 11 ILE HG12 1 10 ILE HG1R 1 1 167 1 2 1 1 11 ILE MG 1 10 ILE HG2* 1 1 168 1 1 1 1 11 ILE HG13 1 10 ILE HG1S 1 1 168 1 2 1 1 11 ILE MG 1 10 ILE HG2* 1 1 169 1 1 1 1 16 TYR H 1 15 TYR HN 1 1 169 1 2 1 1 16 TYR QD 1 15 TYR HD* 1 1 170 1 1 1 1 8 PHE QE 1 7 PHE HE* 1 1 170 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 171 1 1 1 1 8 PHE H 1 7 PHE HN 1 1 171 1 2 1 1 8 PHE QE 1 7 PHE HE* 1 1 172 1 1 1 1 16 TYR QD 1 15 TYR HD* 1 1 172 1 2 1 1 17 ASP H 1 16 ASP HN 1 1 173 1 1 1 1 17 ASP H 1 16 ASP HN 1 1 173 1 2 1 1 18 LYS H 1 17 LYS HN 1 1 174 1 1 1 1 3 SER H 1 2 SER HN 1 1 174 1 2 1 1 5 LYS H 1 4 LYS HN 1 1 175 1 1 1 1 7 MET H 1 6 MET HN 1 1 175 1 2 1 1 8 PHE H 1 7 PHE HN 1 1 176 1 1 1 1 16 TYR H 1 15 TYR HN 1 1 176 1 2 1 1 17 ASP H 1 16 ASP HN 1 1 177 1 1 1 1 3 SER H 1 2 SER HN 1 1 177 1 2 1 1 4 ALA H 1 3 ALA HN 1 1 178 1 1 1 1 11 ILE H 1 10 ILE HN 1 1 178 1 2 1 1 12 GLY H 1 11 GLY HN 1 1 179 1 1 1 1 8 PHE H 1 7 PHE HN 1 1 179 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 180 1 1 1 1 9 ASP H 1 8 ASP HN 1 1 180 1 2 1 1 10 ARG H 1 9 ARG HN 1 1 181 1 1 1 1 12 GLY H 1 11 GLY HN 1 1 181 1 2 1 1 13 LYS H 1 12 LYS HN 1 1 182 1 1 1 1 4 ALA H 1 3 ALA HN 1 1 182 1 2 1 1 5 LYS H 1 4 LYS HN 1 1 183 1 1 1 1 5 LYS H 1 4 LYS HN 1 1 183 1 2 1 1 6 HIS H 1 5 HIS HN 1 1 184 1 1 1 1 13 LYS H 1 12 LYS HN 1 1 184 1 2 1 1 14 ASP H 1 13 ASP HN 1 1 185 1 1 1 1 10 ARG H 1 9 ARG HN 1 1 185 1 2 1 1 11 ILE H 1 10 ILE HN 1 1 186 1 1 1 1 18 LYS H 1 17 LYS HN 1 1 186 1 2 1 1 19 VAL H 1 18 VAL HN 1 1 187 1 1 1 1 20 LYS H 1 19 LYS HN 1 1 187 1 2 1 1 21 GLU H 1 20 GLU HN 1 1 188 1 1 1 1 19 VAL H 1 18 VAL HN 1 1 188 1 2 1 1 20 LYS H 1 19 LYS HN 1 1 189 1 1 1 1 14 ASP H 1 13 ASP HN 1 1 189 1 2 1 1 15 VAL H 1 14 VAL HN 1 1 190 1 1 1 1 7 MET H 1 6 MET HN 1 1 190 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 191 1 1 1 1 2 GLU HA 1 1 GLU HA 1 1 191 1 2 1 1 4 ALA H 1 3 ALA HN 1 1 192 1 1 1 1 4 ALA HA 1 3 ALA HA 1 1 192 1 2 1 1 6 HIS H 1 5 HIS HN 1 1 193 1 1 1 1 5 LYS HA 1 4 LYS HA 1 1 193 1 2 1 1 7 MET H 1 6 MET HN 1 1 194 1 1 1 1 13 LYS HA 1 12 LYS HA 1 1 194 1 2 1 1 15 VAL H 1 14 VAL HN 1 1 195 1 1 1 1 17 ASP HA 1 16 ASP HA 1 1 195 1 2 1 1 19 VAL H 1 18 VAL HN 1 1 196 1 1 1 1 7 MET HA 1 6 MET HA 1 1 196 1 2 1 1 11 ILE H 1 10 ILE HN 1 1 197 1 1 1 1 8 PHE HA 1 7 PHE HA 1 1 197 1 2 1 1 12 GLY H 1 11 GLY HN 1 1 198 1 1 1 1 10 ARG HA 1 9 ARG HA 1 1 198 1 2 1 1 14 ASP H 1 13 ASP HN 1 1 199 1 1 1 1 11 ILE HA 1 10 ILE HA 1 1 199 1 2 1 1 15 VAL H 1 14 VAL HN 1 1 200 1 1 1 1 14 ASP HA 1 13 ASP HA 1 1 200 1 2 1 1 18 LYS H 1 17 LYS HN 1 1 201 1 1 1 1 15 VAL HA 1 14 VAL HA 1 1 201 1 2 1 1 19 VAL H 1 18 VAL HN 1 1 202 1 1 1 1 16 TYR HA 1 15 TYR HA 1 1 202 1 2 1 1 20 LYS H 1 19 LYS HN 1 1 203 1 1 1 1 17 ASP HA 1 16 ASP HA 1 1 203 1 2 1 1 21 GLU H 1 20 GLU HN 1 1 204 1 1 1 1 4 ALA HA 1 3 ALA HA 1 1 204 1 2 1 1 7 MET H 1 6 MET HN 1 1 205 1 1 1 1 6 HIS HA 1 5 HIS HA 1 1 205 1 2 1 1 9 ASP H 1 8 ASP HN 1 1 206 1 1 1 1 10 ARG HA 1 9 ARG HA 1 1 206 1 2 1 1 13 LYS H 1 12 LYS HN 1 1 207 1 1 1 1 13 LYS HA 1 12 LYS HA 1 1 207 1 2 1 1 16 TYR H 1 15 TYR HN 1 1 208 1 1 1 1 16 TYR HA 1 15 TYR HA 1 1 208 1 2 1 1 19 VAL H 1 18 VAL HN 1 1 209 1 1 1 1 16 TYR H 1 15 TYR HN 1 1 209 1 2 1 1 16 TYR HA 1 15 TYR HA 1 1 210 1 1 1 1 14 ASP H 1 13 ASP HN 1 1 210 1 2 1 1 14 ASP HA 1 13 ASP HA 1 1 211 1 1 1 1 19 VAL H 1 18 VAL HN 1 1 211 1 2 1 1 19 VAL HB 1 18 VAL HB 1 1 212 1 1 1 1 19 VAL H 1 18 VAL HN 1 1 212 1 2 1 1 19 VAL MG1 1 18 VAL HGR* 1 1 213 1 1 1 1 19 VAL H 1 18 VAL HN 1 1 213 1 2 1 1 19 VAL MG2 1 18 VAL HGS* 1 1 214 1 1 1 1 7 MET HA 1 6 MET HA 1 1 214 1 2 1 1 10 ARG QB 1 9 ARG HB* 1 1 215 1 1 1 1 12 GLY HA2 1 11 GLY HAR 1 1 215 1 2 1 1 14 ASP H 1 13 ASP HN 1 1 216 1 1 1 1 12 GLY HA3 1 11 GLY HAS 1 1 216 1 2 1 1 14 ASP H 1 13 ASP HN 1 1 217 1 1 1 1 12 GLY HA2 1 11 GLY HAR 1 1 217 1 2 1 1 15 VAL H 1 14 VAL HN 1 1 218 1 1 1 1 14 ASP H 1 13 ASP HN 1 1 218 1 2 1 1 16 TYR HA 1 15 TYR HA 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.8 1.8 2.8 1 1 2 1 . . . . . 2.8 1.8 2.8 1 1 3 1 . . . . . 2.8 1.8 2.8 1 1 4 1 . . . . . 2.8 1.8 2.8 1 1 5 1 . . . . . 2.8 1.8 3.8 1 1 6 1 . . . . . 2.8 1.8 2.8 1 1 7 1 . . . . . 2.8 1.8 2.8 1 1 8 1 . . . . . 2.8 1.8 3.8 1 1 9 1 . . . . . 2.8 1.8 2.8 1 1 10 1 . . . . . 3.5 2.8 3.5 1 1 11 1 . . . . . 3.5 2.8 3.5 1 1 12 1 . . . . . 2.8 1.8 2.8 1 1 13 1 . . . . . 2.8 1.8 2.8 1 1 14 1 . . . . . 3.5 2.8 3.5 1 1 15 1 . . . . . 2.8 1.8 2.8 1 1 16 1 . . . . . 2.8 1.8 2.8 1 1 17 1 . . . . . 2.8 1.8 2.8 1 1 18 1 . . . . . 2.8 1.8 2.8 1 1 19 1 . . . . . 2.8 1.8 2.8 1 1 20 1 . . . . . 3.5 2.8 3.5 1 1 21 1 . . . . . 2.8 1.8 2.8 1 1 22 1 . . . . . 3.5 2.8 3.5 1 1 23 1 . . . . . 3.5 2.8 3.5 1 1 24 1 . . . . . 3.5 2.8 3.5 1 1 25 1 . . . . . 2.8 1.8 2.8 1 1 26 1 . . . . . 3.5 2.8 3.5 1 1 27 1 . . . . . 2.8 1.8 2.8 1 1 28 1 . . . . . 2.8 1.8 2.8 1 1 29 1 . . . . . 2.8 1.8 2.8 1 1 30 1 . . . . . 3.5 2.8 3.5 1 1 31 1 . . . . . 2.8 1.8 2.8 1 1 32 1 . . . . . 2.8 1.8 2.8 1 1 33 1 . . . . . 2.8 1.8 2.8 1 1 34 1 . . . . . 2.8 1.8 2.8 1 1 35 1 . . . . . 2.8 1.8 2.8 1 1 36 1 . . . . . 2.8 1.8 2.8 1 1 37 1 . . . . . 2.8 1.8 2.8 1 1 38 1 . . . . . 2.8 1.8 2.8 1 1 39 1 . . . . . 2.8 1.8 2.8 1 1 40 1 . . . . . 2.8 1.8 2.8 1 1 41 1 . . . . . 2.8 1.8 2.8 1 1 42 1 . . . . . 2.8 1.8 2.8 1 1 43 1 . . . . . 3.5 2.8 3.5 1 1 44 1 . . . . . 2.8 1.8 2.8 1 1 45 1 . . . . . 2.8 1.8 2.8 1 1 46 1 . . . . . 2.8 1.8 3.8 1 1 47 1 . . . . . 2.8 1.8 3.8 1 1 48 1 . . . . . 3.5 2.8 4.5 1 1 49 1 . . . . . 2.8 1.8 2.8 1 1 50 1 . . . . . 2.8 1.8 2.8 1 1 51 1 . . . . . 3.5 2.8 3.5 1 1 52 1 . . . . . 2.8 1.8 2.8 1 1 53 1 . . . . . 2.8 1.8 3.8 1 1 54 1 . . . . . 5.0 3.5 5.0 1 1 55 1 . . . . . 3.5 2.8 3.5 1 1 56 1 . . . . . 2.8 1.8 3.8 1 1 57 1 . . . . . 2.8 1.8 2.8 1 1 58 1 . . . . . 2.8 1.8 3.8 1 1 59 1 . . . . . 2.8 1.8 3.8 1 1 60 1 . . . . . 2.8 1.8 3.8 1 1 61 1 . . . . . 2.8 1.8 3.8 1 1 62 1 . . . . . 2.8 1.8 3.8 1 1 63 1 . . . . . 2.8 1.8 2.8 1 1 64 1 . . . . . 2.8 1.8 2.8 1 1 65 1 . . . . . 3.5 2.8 3.5 1 1 66 1 . . . . . 5.0 3.5 6.0 1 1 67 1 . . . . . 5.0 3.5 5.0 1 1 68 1 . . . . . 5.0 3.5 5.0 1 1 69 1 . . . . . 2.8 1.8 3.8 1 1 70 1 . . . . . 2.8 1.8 3.8 1 1 71 1 . . . . . 2.8 1.8 3.8 1 1 72 1 . . . . . 5.0 3.5 6.0 1 1 73 1 . . . . . 2.8 1.8 3.8 1 1 74 1 . . . . . 5.0 3.5 6.0 1 1 75 1 . . . . . 2.8 1.8 3.8 1 1 76 1 . . . . . 2.8 1.8 3.8 1 1 77 1 . . . . . 2.8 1.8 3.8 1 1 78 1 . . . . . 3.5 2.8 4.5 1 1 79 1 . . . . . 3.5 2.8 4.5 1 1 80 1 . . . . . 3.5 2.8 4.5 1 1 81 1 . . . . . 2.8 1.8 3.8 1 1 82 1 . . . . . 2.8 1.8 2.8 1 1 83 1 . . . . . 3.5 2.8 3.5 1 1 84 1 . . . . . 2.8 1.8 3.8 1 1 85 1 . . . . . 2.8 1.8 4.8 1 1 86 1 . . . . . 2.8 1.8 4.8 1 1 87 1 . . . . . 2.8 1.8 5.8 1 1 88 1 . . . . . 3.5 2.8 3.5 1 1 89 1 . . . . . 2.8 1.8 2.8 1 1 90 1 . . . . . 3.5 2.8 3.5 1 1 91 1 . . . . . 2.8 1.8 2.8 1 1 92 1 . . . . . 3.5 2.8 3.5 1 1 93 1 . . . . . 2.8 1.8 2.8 1 1 94 1 . . . . . 3.5 2.8 3.5 1 1 95 1 . . . . . 2.8 1.8 2.8 1 1 96 1 . . . . . 3.5 2.8 3.5 1 1 97 1 . . . . . 3.5 2.8 3.5 1 1 98 1 . . . . . 3.5 2.8 3.5 1 1 99 1 . . . . . 3.5 2.8 3.5 1 1 100 1 . . . . . 3.5 2.8 3.5 1 1 101 1 . . . . . 3.5 2.8 3.5 1 1 102 1 . . . . . 2.8 1.8 2.8 1 1 103 1 . . . . . 2.8 1.8 2.8 1 1 104 1 . . . . . 3.5 2.8 3.5 1 1 105 1 . . . . . 5.0 3.5 5.0 1 1 106 1 . . . . . 3.5 2.8 3.5 1 1 107 1 . . . . . 5.0 3.5 5.0 1 1 108 1 . . . . . 2.8 1.8 2.8 1 1 109 1 . . . . . 3.5 2.8 3.5 1 1 110 1 . . . . . 5.0 3.5 5.0 1 1 111 1 . . . . . 3.5 2.8 3.5 1 1 112 1 . . . . . 3.5 2.8 3.5 1 1 113 1 . . . . . 3.5 2.8 3.5 1 1 114 1 . . . . . 5.0 3.5 5.0 1 1 115 1 . . . . . 5.0 3.5 5.0 1 1 116 1 . . . . . 3.5 2.8 3.5 1 1 117 1 . . . . . 5.0 3.5 5.0 1 1 118 1 . . . . . 3.5 2.8 3.5 1 1 119 1 . . . . . 3.5 2.8 3.5 1 1 120 1 . . . . . 5.0 3.5 5.0 1 1 121 1 . . . . . 2.8 1.8 4.8 1 1 122 1 . . . . . 2.8 1.8 4.8 1 1 123 1 . . . . . 2.8 1.8 4.8 1 1 124 1 . . . . . 2.8 1.8 4.8 1 1 125 1 . . . . . 2.8 1.8 2.8 1 1 126 1 . . . . . 2.8 1.8 2.8 1 1 127 1 . . . . . 2.8 1.8 2.8 1 1 128 1 . . . . . 2.8 1.8 2.8 1 1 129 1 . . . . . 3.5 2.8 3.5 1 1 130 1 . . . . . 3.5 2.8 3.5 1 1 131 1 . . . . . 2.8 1.8 2.8 1 1 132 1 . . . . . 3.5 2.8 3.5 1 1 133 1 . . . . . 2.8 1.8 3.8 1 1 134 1 . . . . . 2.8 1.8 2.8 1 1 135 1 . . . . . 2.8 1.8 2.8 1 1 136 1 . . . . . 2.8 1.8 2.8 1 1 137 1 . . . . . 2.8 1.8 2.8 1 1 138 1 . . . . . 2.8 1.8 2.8 1 1 139 1 . . . . . 2.8 1.8 2.8 1 1 140 1 . . . . . 2.8 1.8 2.8 1 1 141 1 . . . . . 2.8 1.8 3.8 1 1 142 1 . . . . . 3.5 2.8 4.5 1 1 143 1 . . . . . 2.8 1.8 2.8 1 1 144 1 . . . . . 2.8 1.8 2.8 1 1 145 1 . . . . . 2.8 1.8 3.8 1 1 146 1 . . . . . 2.8 1.8 2.8 1 1 147 1 . . . . . 2.8 1.8 2.8 1 1 148 1 . . . . . 3.5 2.8 4.5 1 1 149 1 . . . . . 2.8 1.8 2.8 1 1 150 1 . . . . . 2.8 1.8 2.8 1 1 151 1 . . . . . 5.0 3.5 6.0 1 1 152 1 . . . . . 2.8 1.8 2.8 1 1 153 1 . . . . . 2.8 1.8 3.8 1 1 154 1 . . . . . 2.8 1.8 2.8 1 1 155 1 . . . . . 2.8 1.8 2.8 1 1 156 1 . . . . . 2.8 1.8 3.8 1 1 157 1 . . . . . 2.8 1.8 3.8 1 1 158 1 . . . . . 2.8 1.8 3.8 1 1 159 1 . . . . . 2.8 1.8 3.8 1 1 160 1 . . . . . 2.8 1.8 3.8 1 1 161 1 . . . . . 3.5 2.8 4.5 1 1 162 1 . . . . . 2.8 1.8 3.8 1 1 163 1 . . . . . 2.8 1.8 3.8 1 1 164 1 . . . . . 2.8 1.8 3.8 1 1 165 1 . . . . . 2.8 1.8 3.8 1 1 166 1 . . . . . 2.8 1.8 3.8 1 1 167 1 . . . . . 2.8 1.8 3.8 1 1 168 1 . . . . . 2.8 1.8 3.8 1 1 169 1 . . . . . 2.8 1.8 4.8 1 1 170 1 . . . . . 5.0 3.5 7.0 1 1 171 1 . . . . . 3.5 2.8 5.5 1 1 172 1 . . . . . 2.8 1.8 4.8 1 1 173 1 . . . . . 2.8 1.8 2.8 1 1 174 1 . . . . . 5.0 3.5 5.0 1 1 175 1 . . . . . 2.8 1.8 2.8 1 1 176 1 . . . . . 2.8 1.8 2.8 1 1 177 1 . . . . . 2.8 1.8 2.8 1 1 178 1 . . . . . 2.8 1.8 2.8 1 1 179 1 . . . . . 2.8 1.8 2.8 1 1 180 1 . . . . . 2.8 1.8 2.8 1 1 181 1 . . . . . 2.8 1.8 2.8 1 1 182 1 . . . . . 2.8 1.8 2.8 1 1 183 1 . . . . . 2.8 1.8 2.8 1 1 184 1 . . . . . 2.8 1.8 2.8 1 1 185 1 . . . . . 2.8 1.8 2.8 1 1 186 1 . . . . . 2.8 1.8 2.8 1 1 187 1 . . . . . 2.8 1.8 2.8 1 1 188 1 . . . . . 2.8 1.8 2.8 1 1 189 1 . . . . . 2.8 1.8 2.8 1 1 190 1 . . . . . 3.5 2.8 3.5 1 1 191 1 . . . . . 5.0 3.5 5.0 1 1 192 1 . . . . . 3.5 2.8 3.5 1 1 193 1 . . . . . 5.0 3.5 5.0 1 1 194 1 . . . . . 5.0 3.5 5.0 1 1 195 1 . . . . . 3.5 2.8 3.5 1 1 196 1 . . . . . 3.5 2.8 3.5 1 1 197 1 . . . . . 3.5 2.8 3.5 1 1 198 1 . . . . . 5.0 3.5 5.0 1 1 199 1 . . . . . 3.5 2.8 3.5 1 1 200 1 . . . . . 3.5 2.8 3.5 1 1 201 1 . . . . . 3.5 2.8 3.5 1 1 202 1 . . . . . 3.5 2.8 3.5 1 1 203 1 . . . . . 5.0 3.5 5.0 1 1 204 1 . . . . . 3.5 2.8 3.5 1 1 205 1 . . . . . 3.5 2.8 3.5 1 1 206 1 . . . . . 3.5 2.8 3.5 1 1 207 1 . . . . . 3.5 2.8 3.5 1 1 208 1 . . . . . 3.5 2.8 3.5 1 1 209 1 . . . . . 3.5 2.8 3.5 1 1 210 1 . . . . . 3.5 2.8 3.5 1 1 211 1 . . . . . 3.5 2.8 3.5 1 1 212 1 . . . . . 3.5 2.8 4.5 1 1 213 1 . . . . . 3.5 2.8 4.5 1 1 214 1 . . . . . 5.0 3.5 6.0 1 1 215 1 . . . . . 5.0 3.5 5.0 1 1 216 1 . . . . . 5.0 3.5 5.0 1 1 217 1 . . . . . 5.0 3.5 5.0 1 1 218 1 . . . . . 5.0 3.5 5.0 1 1 stop_ save_ save_Discover_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 GLU O 1 1 GLU O 1 2 1 1 2 1 1 6 HIS H 1 5 HIS HN 1 2 2 1 1 1 1 3 SER O 1 2 SER O 1 2 2 1 2 1 1 7 MET H 1 6 MET HN 1 2 3 1 1 1 1 6 HIS O 1 5 HIS O 1 2 3 1 2 1 1 10 ARG H 1 9 ARG HN 1 2 4 1 1 1 1 10 ARG O 1 9 ARG O 1 2 4 1 2 1 1 14 ASP H 1 13 ASP HN 1 2 5 1 1 1 1 14 ASP O 1 13 ASP O 1 2 5 1 2 1 1 18 LYS H 1 17 LYS HN 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . 1.8 2.5 1 2 2 1 . . . . . . 1.8 2.5 1 2 3 1 . . . . . . 1.8 2.5 1 2 4 1 . . . . . . 1.8 2.5 1 2 5 1 . . . . . . 1.8 2.5 1 2 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 2 GLU CA 1 1 2 GLU C 1 1 3 SER N 1 1 3 SER CA 178.0 179.99998 1 1 GLU CA 1 1 GLU C 1 2 SER N 1 2 SER CA 1 1 2 . 1 1 3 SER CA 1 1 3 SER C 1 1 4 ALA N 1 1 4 ALA CA 178.0 179.99998 1 2 SER CA 1 2 SER C 1 3 ALA N 1 3 ALA CA 1 1 3 . 1 1 4 ALA CA 1 1 4 ALA C 1 1 5 LYS N 1 1 5 LYS CA 178.0 179.99998 1 3 ALA CA 1 3 ALA C 1 4 LYS N 1 4 LYS CA 1 1 4 . 1 1 5 LYS CA 1 1 5 LYS C 1 1 6 HIS N 1 1 6 HIS CA 178.0 179.99998 1 4 LYS CA 1 4 LYS C 1 5 HIS N 1 5 HIS CA 1 1 5 . 1 1 6 HIS CA 1 1 6 HIS C 1 1 7 MET N 1 1 7 MET CA 178.0 179.99998 1 5 HIS CA 1 5 HIS C 1 6 MET N 1 6 MET CA 1 1 6 . 1 1 7 MET CA 1 1 7 MET C 1 1 8 PHE N 1 1 8 PHE CA 178.0 179.99998 1 6 MET CA 1 6 MET C 1 7 PHE N 1 7 PHE CA 1 1 7 . 1 1 8 PHE CA 1 1 8 PHE C 1 1 9 ASP N 1 1 9 ASP CA 178.0 179.99998 1 7 PHE CA 1 7 PHE C 1 8 ASP N 1 8 ASP CA 1 1 8 . 1 1 9 ASP CA 1 1 9 ASP C 1 1 10 ARG N 1 1 10 ARG CA 178.0 179.99998 1 8 ASP CA 1 8 ASP C 1 9 ARG N 1 9 ARG CA 1 1 9 . 1 1 10 ARG CA 1 1 10 ARG C 1 1 11 ILE N 1 1 11 ILE CA 178.0 179.99998 1 9 ARG CA 1 9 ARG C 1 10 ILE N 1 10 ILE CA 1 1 10 . 1 1 11 ILE CA 1 1 11 ILE C 1 1 12 GLY N 1 1 12 GLY CA 178.0 179.99998 1 10 ILE CA 1 10 ILE C 1 11 GLY N 1 11 GLY CA 1 1 11 . 1 1 12 GLY CA 1 1 12 GLY C 1 1 13 LYS N 1 1 13 LYS CA 178.0 179.99998 1 11 GLY CA 1 11 GLY C 1 12 LYS N 1 12 LYS CA 1 1 12 . 1 1 13 LYS CA 1 1 13 LYS C 1 1 14 ASP N 1 1 14 ASP CA 178.0 179.99998 1 12 LYS CA 1 12 LYS C 1 13 ASP N 1 13 ASP CA 1 1 13 . 1 1 14 ASP CA 1 1 14 ASP C 1 1 15 VAL N 1 1 15 VAL CA 178.0 179.99998 1 13 ASP CA 1 13 ASP C 1 14 VAL N 1 14 VAL CA 1 1 14 . 1 1 15 VAL CA 1 1 15 VAL C 1 1 16 TYR N 1 1 16 TYR CA 178.0 179.99998 1 14 VAL CA 1 14 VAL C 1 15 TYR N 1 15 TYR CA 1 1 15 . 1 1 16 TYR CA 1 1 16 TYR C 1 1 17 ASP N 1 1 17 ASP CA 178.0 179.99998 1 15 TYR CA 1 15 TYR C 1 16 ASP N 1 16 ASP CA 1 1 16 . 1 1 17 ASP CA 1 1 17 ASP C 1 1 18 LYS N 1 1 18 LYS CA 178.0 179.99998 1 16 ASP CA 1 16 ASP C 1 17 LYS N 1 17 LYS CA 1 1 17 . 1 1 18 LYS CA 1 1 18 LYS C 1 1 19 VAL N 1 1 19 VAL CA 178.0 179.99998 1 17 LYS CA 1 17 LYS C 1 18 VAL N 1 18 VAL CA 1 1 18 . 1 1 19 VAL CA 1 1 19 VAL C 1 1 20 LYS N 1 1 20 LYS CA 178.0 179.99998 1 18 VAL CA 1 18 VAL C 1 19 LYS N 1 19 LYS CA 1 1 19 . 1 1 20 LYS CA 1 1 20 LYS C 1 1 21 GLU N 1 1 21 GLU CA 178.0 179.99998 1 19 LYS CA 1 19 LYS C 1 20 GLU N 1 20 GLU CA 1 1 20 . 1 1 2 GLU H 1 1 2 GLU N 1 1 2 GLU CA 1 1 2 GLU HA -100.0 -40.0 1 1 GLU HN 1 1 GLU N 1 1 GLU CA 1 1 GLU HA 1 1 21 . 1 1 3 SER H 1 1 3 SER N 1 1 3 SER CA 1 1 3 SER HA -100.0 -40.0 1 2 SER HN 1 2 SER N 1 2 SER CA 1 2 SER HA 1 1 22 . 1 1 9 ASP H 1 1 9 ASP N 1 1 9 ASP CA 1 1 9 ASP HA -100.0 -40.0 1 8 ASP HN 1 8 ASP N 1 8 ASP CA 1 8 ASP HA 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 2 GLU C C -13.030 -2.617 -2.141 1.00 . A A . 1 ACE C 1 1 1 2 1 1 2 GLU CA C -14.064 -0.546 -1.219 1.00 . A A . 1 ACE CA 1 1 1 3 1 1 2 GLU CB C -15.287 -0.340 -0.262 1.00 . A A . 1 ACE CB 1 1 1 4 1 1 2 GLU CD C -17.752 -0.808 0.250 1.00 . A A . 1 ACE CD 1 1 1 5 1 1 2 GLU CG C -16.624 -0.888 -0.781 1.00 . A A . 1 ACE CG 1 1 1 6 1 1 2 GLU H H -14.403 -2.625 -0.711 1.00 . A A . 1 ACE H 1 1 1 7 1 1 2 GLU HA H -14.418 -0.283 -2.234 1.00 . A A . 1 ACE HA 1 1 1 8 1 1 2 GLU HB2 H -15.031 -0.705 0.749 1.00 . A A . 1 ACE HB2 1 1 1 9 1 1 2 GLU HB3 H -15.466 0.734 -0.113 1.00 . A A . 1 ACE HB3 1 1 1 10 1 1 2 GLU HE2 H -18.040 0.985 -0.453 1.00 . A A . 1 ACE HE2 1 1 1 11 1 1 2 GLU HG2 H -16.894 -0.311 -1.686 1.00 . A A . 1 ACE HG2 1 1 1 12 1 1 2 GLU HG3 H -16.493 -1.932 -1.103 1.00 . A A . 1 ACE HG3 1 1 1 13 1 1 2 GLU N N -13.744 -2.000 -1.184 1.00 . A A . 1 ACE N 1 1 1 14 1 1 2 GLU O O -12.445 -2.030 -3.055 1.00 . A A . 1 ACE O 1 1 1 15 1 1 2 GLU OE1 O -18.034 -1.727 1.018 1.00 . A A . 1 ACE OE1 1 1 1 16 1 1 2 GLU OE2 O -18.405 0.398 0.214 1.00 . A A . 1 ACE OE2 1 1 1 17 1 1 3 SER C C -11.083 2.169 0.956 1.00 . A A . 2 SER C 1 1 1 18 1 1 3 SER CA C -12.119 2.631 -0.084 1.00 . A A . 2 SER CA 1 1 1 19 1 1 3 SER CB C -12.853 3.898 0.369 1.00 . A A . 2 SER CB 1 1 1 20 1 1 3 SER H H -14.142 1.763 -0.454 1.00 . A A . 2 SER H 1 1 1 21 1 1 3 SER HA H -11.599 2.911 -0.998 1.00 . A A . 2 SER HA 1 1 1 22 1 1 3 SER HB2 H -13.729 4.101 -0.262 1.00 . A A . 2 SER HB2 1 1 1 23 1 1 3 SER HB3 H -13.254 3.727 1.369 1.00 . A A . 2 SER HB3 1 1 1 24 1 1 3 SER HG H -11.272 4.808 0.979 1.00 . A A . 2 SER HG 1 1 1 25 1 1 3 SER N N -13.130 1.600 -0.446 1.00 . A A . 2 SER N 1 1 1 26 1 1 3 SER O O -9.887 2.394 0.773 1.00 . A A . 2 SER O 1 1 1 27 1 1 3 SER OG O -11.988 5.028 0.379 1.00 . A A . 2 SER OG 1 1 1 28 1 1 4 ALA C C -9.996 -0.403 2.837 1.00 . A A . 3 ALA C 1 1 1 29 1 1 4 ALA CA C -10.692 0.976 3.100 1.00 . A A . 3 ALA CA 1 1 1 30 1 1 4 ALA CB C -11.470 0.975 4.412 1.00 . A A . 3 ALA CB 1 1 1 31 1 1 4 ALA H H -12.596 1.514 2.022 1.00 . A A . 3 ALA H 1 1 1 32 1 1 4 ALA HA H -9.836 1.660 3.136 1.00 . A A . 3 ALA HA 1 1 1 33 1 1 4 ALA HB1 H -10.819 0.675 5.251 1.00 . A A . 3 ALA HB1 1 1 1 34 1 1 4 ALA HB2 H -11.877 1.976 4.638 1.00 . A A . 3 ALA HB2 1 1 1 35 1 1 4 ALA HB3 H -12.313 0.260 4.361 1.00 . A A . 3 ALA HB3 1 1 1 36 1 1 4 ALA N N -11.572 1.539 2.038 1.00 . A A . 3 ALA N 1 1 1 37 1 1 4 ALA O O -9.447 -1.064 3.723 1.00 . A A . 3 ALA O 1 1 1 38 1 1 5 LYS C C -8.938 -1.671 -0.537 1.00 . A A . 4 LYS C 1 1 1 39 1 1 5 LYS CA C -9.458 -1.963 0.929 1.00 . A A . 4 LYS CA 1 1 1 40 1 1 5 LYS CB C -10.448 -3.148 1.033 1.00 . A A . 4 LYS CB 1 1 1 41 1 1 5 LYS CD C -8.777 -5.014 1.855 1.00 . A A . 4 LYS CD 1 1 1 42 1 1 5 LYS CE C -9.227 -5.075 3.328 1.00 . A A . 4 LYS CE 1 1 1 43 1 1 5 LYS CG C -9.876 -4.576 0.860 1.00 . A A . 4 LYS CG 1 1 1 44 1 1 5 LYS H H -10.626 -0.103 1.058 1.00 . A A . 4 LYS H 1 1 1 45 1 1 5 LYS HA H -8.531 -2.108 1.507 1.00 . A A . 4 LYS HA 1 1 1 46 1 1 5 LYS HB2 H -10.970 -3.108 2.007 1.00 . A A . 4 LYS HB2 1 1 1 47 1 1 5 LYS HB3 H -11.243 -2.978 0.283 1.00 . A A . 4 LYS HB3 1 1 1 48 1 1 5 LYS HD2 H -8.416 -6.012 1.543 1.00 . A A . 4 LYS HD2 1 1 1 49 1 1 5 LYS HD3 H -7.900 -4.347 1.752 1.00 . A A . 4 LYS HD3 1 1 1 50 1 1 5 LYS HE2 H -9.551 -4.078 3.678 1.00 . A A . 4 LYS HE2 1 1 1 51 1 1 5 LYS HE3 H -10.103 -5.742 3.436 1.00 . A A . 4 LYS HE3 1 1 1 52 1 1 5 LYS HG2 H -10.713 -5.297 0.914 1.00 . A A . 4 LYS HG2 1 1 1 53 1 1 5 LYS HG3 H -9.485 -4.690 -0.167 1.00 . A A . 4 LYS HG3 1 1 1 54 1 1 5 LYS HZ1 H -8.477 -5.622 5.172 1.00 . A A . 4 LYS HZ1 1 1 1 55 1 1 5 LYS HZ3 H -7.877 -6.512 3.939 1.00 . A A . 4 LYS HZ3 1 1 1 56 1 1 5 LYS N N -10.052 -0.773 1.566 1.00 . A A . 4 LYS N 1 1 1 57 1 1 5 LYS NZ N -8.145 -5.557 4.204 1.00 . A A . 4 LYS NZ 1 1 1 58 1 1 5 LYS O O -8.759 -2.567 -1.365 1.00 . A A . 4 LYS O 1 1 1 59 1 1 6 HIS C C -7.044 1.178 -1.563 1.00 . A A . 5 HIS C 1 1 1 60 1 1 6 HIS CA C -8.171 0.217 -2.050 1.00 . A A . 5 HIS CA 1 1 1 61 1 1 6 HIS CB C -9.221 0.840 -2.995 1.00 . A A . 5 HIS CB 1 1 1 62 1 1 6 HIS CD2 C -8.079 0.266 -5.249 1.00 . A A . 5 HIS CD2 1 1 1 63 1 1 6 HIS CE1 C -7.542 2.205 -5.859 1.00 . A A . 5 HIS CE1 1 1 1 64 1 1 6 HIS CG C -8.588 1.205 -4.336 1.00 . A A . 5 HIS CG 1 1 1 65 1 1 6 HIS H H -9.272 0.187 -0.159 1.00 . A A . 5 HIS H 1 1 1 66 1 1 6 HIS HA H -7.643 -0.588 -2.567 1.00 . A A . 5 HIS HA 1 1 1 67 1 1 6 HIS HB2 H -10.040 0.119 -3.177 1.00 . A A . 5 HIS HB2 1 1 1 68 1 1 6 HIS HB3 H -9.700 1.720 -2.526 1.00 . A A . 5 HIS HB3 1 1 1 69 1 1 6 HIS HD2 H -8.148 -0.808 -5.143 1.00 . A A . 5 HIS HD2 1 1 1 70 1 1 6 HIS HE1 H -7.094 3.002 -6.435 1.00 . A A . 5 HIS HE1 1 1 1 71 1 1 6 HIS HE2 H -6.880 0.517 -7.061 1.00 . A A . 5 HIS HE2 1 1 1 72 1 1 6 HIS N N -8.713 -0.378 -0.811 1.00 . A A . 5 HIS N 1 1 1 73 1 1 6 HIS ND1 N -8.242 2.500 -4.713 1.00 . A A . 5 HIS ND1 1 1 1 74 1 1 6 HIS NE2 N -7.400 0.906 -6.266 1.00 . A A . 5 HIS NE2 1 1 1 75 1 1 6 HIS O O -5.955 1.142 -2.140 1.00 . A A . 5 HIS O 1 1 1 76 1 1 7 MET C C -5.364 2.049 0.866 1.00 . A A . 6 MET C 1 1 1 77 1 1 7 MET CA C -6.281 2.966 0.025 1.00 . A A . 6 MET CA 1 1 1 78 1 1 7 MET CB C -6.876 4.158 0.821 1.00 . A A . 6 MET CB 1 1 1 79 1 1 7 MET CE C -9.199 7.319 -0.643 1.00 . A A . 6 MET CE 1 1 1 80 1 1 7 MET CG C -8.010 4.914 0.108 1.00 . A A . 6 MET CG 1 1 1 81 1 1 7 MET H H -8.154 1.925 -0.037 1.00 . A A . 6 MET H 1 1 1 82 1 1 7 MET HA H -5.654 3.327 -0.793 1.00 . A A . 6 MET HA 1 1 1 83 1 1 7 MET HB2 H -7.247 3.825 1.809 1.00 . A A . 6 MET HB2 1 1 1 84 1 1 7 MET HB3 H -6.056 4.865 1.049 1.00 . A A . 6 MET HB3 1 1 1 85 1 1 7 MET HE1 H -9.049 7.021 -1.696 1.00 . A A . 6 MET HE1 1 1 1 86 1 1 7 MET HE2 H -9.238 8.422 -0.601 1.00 . A A . 6 MET HE2 1 1 1 87 1 1 7 MET HE3 H -10.177 6.930 -0.308 1.00 . A A . 6 MET HE3 1 1 1 88 1 1 7 MET HG2 H -7.995 4.686 -0.973 1.00 . A A . 6 MET HG2 1 1 1 89 1 1 7 MET HG3 H -8.992 4.558 0.469 1.00 . A A . 6 MET HG3 1 1 1 90 1 1 7 MET N N -7.294 2.064 -0.563 1.00 . A A . 6 MET N 1 1 1 91 1 1 7 MET O O -4.163 2.098 0.644 1.00 . A A . 6 MET O 1 1 1 92 1 1 7 MET SD S -7.866 6.695 0.400 1.00 . A A . 6 MET SD 1 1 1 93 1 1 8 PHE C C -4.394 -0.811 1.679 1.00 . A A . 7 PHE C 1 1 1 94 1 1 8 PHE CA C -5.120 0.235 2.580 1.00 . A A . 7 PHE CA 1 1 1 95 1 1 8 PHE CB C -6.075 -0.451 3.584 1.00 . A A . 7 PHE CB 1 1 1 96 1 1 8 PHE CD1 C -5.366 0.037 5.972 1.00 . A A . 7 PHE CD1 1 1 1 97 1 1 8 PHE CD2 C -7.246 1.250 5.060 1.00 . A A . 7 PHE CD2 1 1 1 98 1 1 8 PHE CE1 C -5.499 0.735 7.167 1.00 . A A . 7 PHE CE1 1 1 1 99 1 1 8 PHE CE2 C -7.379 1.946 6.256 1.00 . A A . 7 PHE CE2 1 1 1 100 1 1 8 PHE CG C -6.239 0.292 4.911 1.00 . A A . 7 PHE CG 1 1 1 101 1 1 8 PHE CZ C -6.506 1.689 7.312 1.00 . A A . 7 PHE CZ 1 1 1 102 1 1 8 PHE H H -6.917 1.112 1.723 1.00 . A A . 7 PHE H 1 1 1 103 1 1 8 PHE HA H -4.343 0.801 3.100 1.00 . A A . 7 PHE HA 1 1 1 104 1 1 8 PHE HB2 H -7.050 -0.543 3.098 1.00 . A A . 7 PHE HB2 1 1 1 105 1 1 8 PHE HB3 H -5.799 -1.507 3.763 1.00 . A A . 7 PHE HB3 1 1 1 106 1 1 8 PHE HD1 H -4.577 -0.694 5.871 1.00 . A A . 7 PHE HD1 1 1 1 107 1 1 8 PHE HD2 H -7.922 1.469 4.246 1.00 . A A . 7 PHE HD2 1 1 1 108 1 1 8 PHE HE1 H -4.809 0.530 7.969 1.00 . A A . 7 PHE HE1 1 1 1 109 1 1 8 PHE HE2 H -8.158 2.687 6.341 1.00 . A A . 7 PHE HE2 1 1 1 110 1 1 8 PHE HZ H -6.606 2.234 8.240 1.00 . A A . 7 PHE HZ 1 1 1 111 1 1 8 PHE N N -5.903 1.207 1.778 1.00 . A A . 7 PHE N 1 1 1 112 1 1 8 PHE O O -3.292 -1.236 2.031 1.00 . A A . 7 PHE O 1 1 1 113 1 1 9 ASP C C -3.127 -1.499 -1.069 1.00 . A A . 8 ASP C 1 1 1 114 1 1 9 ASP CA C -4.386 -2.170 -0.429 1.00 . A A . 8 ASP CA 1 1 1 115 1 1 9 ASP CB C -5.426 -2.552 -1.507 1.00 . A A . 8 ASP CB 1 1 1 116 1 1 9 ASP CG C -5.044 -3.746 -2.392 1.00 . A A . 8 ASP CG 1 1 1 117 1 1 9 ASP H H -6.009 -0.959 0.542 1.00 . A A . 8 ASP H 1 1 1 118 1 1 9 ASP HA H -4.134 -3.108 0.104 1.00 . A A . 8 ASP HA 1 1 1 119 1 1 9 ASP HB2 H -6.373 -2.778 -1.006 1.00 . A A . 8 ASP HB2 1 1 1 120 1 1 9 ASP HB3 H -5.657 -1.684 -2.153 1.00 . A A . 8 ASP HB3 1 1 1 121 1 1 9 ASP HD2 H -5.133 -5.690 -2.372 1.00 . A A . 8 ASP HD2 1 1 1 122 1 1 9 ASP N N -5.011 -1.223 0.544 1.00 . A A . 8 ASP N 1 1 1 123 1 1 9 ASP O O -2.059 -2.115 -1.116 1.00 . A A . 8 ASP O 1 1 1 124 1 1 9 ASP OD1 O -4.502 -3.628 -3.490 1.00 . A A . 8 ASP OD1 1 1 1 125 1 1 9 ASP OD2 O -5.374 -4.946 -1.815 1.00 . A A . 8 ASP OD2 1 1 1 126 1 1 10 ARG C C -1.126 0.868 -1.043 1.00 . A A . 9 ARG C 1 1 1 127 1 1 10 ARG CA C -2.194 0.583 -2.121 1.00 . A A . 9 ARG CA 1 1 1 128 1 1 10 ARG CB C -2.704 1.888 -2.784 1.00 . A A . 9 ARG CB 1 1 1 129 1 1 10 ARG CD C -2.928 1.135 -5.306 1.00 . A A . 9 ARG CD 1 1 1 130 1 1 10 ARG CG C -3.592 1.737 -4.048 1.00 . A A . 9 ARG CG 1 1 1 131 1 1 10 ARG CZ C -1.071 1.678 -6.904 1.00 . A A . 9 ARG CZ 1 1 1 132 1 1 10 ARG H H -4.254 0.113 -1.446 1.00 . A A . 9 ARG H 1 1 1 133 1 1 10 ARG HA H -1.702 -0.047 -2.861 1.00 . A A . 9 ARG HA 1 1 1 134 1 1 10 ARG HB2 H -3.263 2.481 -2.034 1.00 . A A . 9 ARG HB2 1 1 1 135 1 1 10 ARG HB3 H -1.838 2.526 -3.046 1.00 . A A . 9 ARG HB3 1 1 1 136 1 1 10 ARG HD2 H -2.531 0.128 -5.078 1.00 . A A . 9 ARG HD2 1 1 1 137 1 1 10 ARG HD3 H -3.704 0.983 -6.079 1.00 . A A . 9 ARG HD3 1 1 1 138 1 1 10 ARG HG2 H -4.474 1.121 -3.797 1.00 . A A . 9 ARG HG2 1 1 1 139 1 1 10 ARG HG3 H -4.013 2.727 -4.304 1.00 . A A . 9 ARG HG3 1 1 1 140 1 1 10 ARG HH11 H -1.891 -0.124 -7.270 1.00 . A A . 9 ARG HH11 1 1 1 141 1 1 10 ARG HH12 H -0.512 0.404 -8.359 1.00 . A A . 9 ARG HH12 1 1 1 142 1 1 10 ARG HH21 H -0.095 3.418 -6.743 1.00 . A A . 9 ARG HH21 1 1 1 143 1 1 10 ARG HH22 H 0.436 2.277 -8.078 1.00 . A A . 9 ARG HH22 1 1 1 144 1 1 10 ARG N N -3.288 -0.233 -1.539 1.00 . A A . 9 ARG N 1 1 1 145 1 1 10 ARG NE N -1.856 2.002 -5.858 1.00 . A A . 9 ARG NE 1 1 1 146 1 1 10 ARG NH1 N -1.168 0.534 -7.581 1.00 . A A . 9 ARG NH1 1 1 1 147 1 1 10 ARG NH2 N -0.150 2.546 -7.280 1.00 . A A . 9 ARG NH2 1 1 1 148 1 1 10 ARG O O 0.018 0.450 -1.218 1.00 . A A . 9 ARG O 1 1 1 149 1 1 11 ILE C C 0.266 0.573 1.678 1.00 . A A . 10 ILE C 1 1 1 150 1 1 11 ILE CA C -0.595 1.807 1.241 1.00 . A A . 10 ILE CA 1 1 1 151 1 1 11 ILE CB C -1.516 2.417 2.343 1.00 . A A . 10 ILE CB 1 1 1 152 1 1 11 ILE CD1 C -3.174 4.384 2.700 1.00 . A A . 10 ILE CD1 1 1 1 153 1 1 11 ILE CG1 C -1.948 3.859 1.958 1.00 . A A . 10 ILE CG1 1 1 1 154 1 1 11 ILE CG2 C -1.002 2.352 3.791 1.00 . A A . 10 ILE CG2 1 1 1 155 1 1 11 ILE H H -2.498 1.773 0.165 1.00 . A A . 10 ILE H 1 1 1 156 1 1 11 ILE HA H 0.102 2.580 0.910 1.00 . A A . 10 ILE HA 1 1 1 157 1 1 11 ILE HB H -2.407 1.786 2.360 1.00 . A A . 10 ILE HB 1 1 1 158 1 1 11 ILE HD11 H -3.547 5.301 2.215 1.00 . A A . 10 ILE HD11 1 1 1 159 1 1 11 ILE HD12 H -2.940 4.600 3.754 1.00 . A A . 10 ILE HD12 1 1 1 160 1 1 11 ILE HD13 H -3.991 3.642 2.680 1.00 . A A . 10 ILE HD13 1 1 1 161 1 1 11 ILE HG12 H -1.091 4.542 2.055 1.00 . A A . 10 ILE HG12 1 1 1 162 1 1 11 ILE HG13 H -2.214 3.885 0.887 1.00 . A A . 10 ILE HG13 1 1 1 163 1 1 11 ILE HG21 H -0.824 1.302 4.089 1.00 . A A . 10 ILE HG21 1 1 1 164 1 1 11 ILE HG22 H -1.760 2.737 4.496 1.00 . A A . 10 ILE HG22 1 1 1 165 1 1 11 ILE HG23 H -0.068 2.921 3.917 1.00 . A A . 10 ILE HG23 1 1 1 166 1 1 11 ILE N N -1.498 1.514 0.079 1.00 . A A . 10 ILE N 1 1 1 167 1 1 11 ILE O O 1.465 0.709 1.934 1.00 . A A . 10 ILE O 1 1 1 168 1 1 12 GLY C C 1.421 -2.335 1.136 1.00 . A A . 11 GLY C 1 1 1 169 1 1 12 GLY CA C 0.258 -1.893 2.062 1.00 . A A . 11 GLY CA 1 1 1 170 1 1 12 GLY H H -1.394 -0.497 1.572 1.00 . A A . 11 GLY H 1 1 1 171 1 1 12 GLY HA2 H 0.630 -1.815 3.095 1.00 . A A . 11 GLY HA2 1 1 1 172 1 1 12 GLY HA3 H -0.513 -2.676 2.019 1.00 . A A . 11 GLY HA3 1 1 1 173 1 1 12 GLY N N -0.387 -0.604 1.737 1.00 . A A . 11 GLY N 1 1 1 174 1 1 12 GLY O O 2.244 -3.146 1.563 1.00 . A A . 11 GLY O 1 1 1 175 1 1 13 LYS C C 2.776 -0.851 -1.993 1.00 . A A . 12 LYS C 1 1 1 176 1 1 13 LYS CA C 2.461 -2.139 -1.146 1.00 . A A . 12 LYS CA 1 1 1 177 1 1 13 LYS CB C 2.196 -3.405 -2.013 1.00 . A A . 12 LYS CB 1 1 1 178 1 1 13 LYS CD C 2.118 -5.978 -2.203 1.00 . A A . 12 LYS CD 1 1 1 179 1 1 13 LYS CE C 2.156 -7.345 -1.489 1.00 . A A . 12 LYS CE 1 1 1 180 1 1 13 LYS CG C 2.244 -4.757 -1.266 1.00 . A A . 12 LYS CG 1 1 1 181 1 1 13 LYS H H 0.554 -1.361 -0.355 1.00 . A A . 12 LYS H 1 1 1 182 1 1 13 LYS HA H 3.408 -2.244 -0.591 1.00 . A A . 12 LYS HA 1 1 1 183 1 1 13 LYS HB2 H 1.227 -3.303 -2.538 1.00 . A A . 12 LYS HB2 1 1 1 184 1 1 13 LYS HB3 H 2.956 -3.446 -2.817 1.00 . A A . 12 LYS HB3 1 1 1 185 1 1 13 LYS HD2 H 1.161 -5.904 -2.753 1.00 . A A . 12 LYS HD2 1 1 1 186 1 1 13 LYS HD3 H 2.902 -5.942 -2.983 1.00 . A A . 12 LYS HD3 1 1 1 187 1 1 13 LYS HE2 H 1.402 -7.381 -0.681 1.00 . A A . 12 LYS HE2 1 1 1 188 1 1 13 LYS HE3 H 1.865 -8.136 -2.204 1.00 . A A . 12 LYS HE3 1 1 1 189 1 1 13 LYS HG2 H 3.190 -4.826 -0.699 1.00 . A A . 12 LYS HG2 1 1 1 190 1 1 13 LYS HG3 H 1.437 -4.794 -0.511 1.00 . A A . 12 LYS HG3 1 1 1 191 1 1 13 LYS HZ1 H 3.779 -6.963 -0.267 1.00 . A A . 12 LYS HZ1 1 1 1 192 1 1 13 LYS HZ3 H 4.189 -7.667 -1.684 1.00 . A A . 12 LYS HZ3 1 1 1 193 1 1 13 LYS N N 1.405 -1.885 -0.134 1.00 . A A . 12 LYS N 1 1 1 194 1 1 13 LYS NZ N 3.485 -7.681 -0.938 1.00 . A A . 12 LYS NZ 1 1 1 195 1 1 13 LYS O O 2.922 -0.889 -3.219 1.00 . A A . 12 LYS O 1 1 1 196 1 1 14 ASP C C 4.335 2.100 -0.864 1.00 . A A . 13 ASP C 1 1 1 197 1 1 14 ASP CA C 3.281 1.620 -1.843 1.00 . A A . 13 ASP CA 1 1 1 198 1 1 14 ASP CB C 2.102 2.571 -2.047 1.00 . A A . 13 ASP CB 1 1 1 199 1 1 14 ASP CG C 2.376 3.755 -2.981 1.00 . A A . 13 ASP CG 1 1 1 200 1 1 14 ASP H H 2.533 0.278 -0.341 1.00 . A A . 13 ASP H 1 1 1 201 1 1 14 ASP HA H 3.833 1.483 -2.758 1.00 . A A . 13 ASP HA 1 1 1 202 1 1 14 ASP HB2 H 1.252 1.989 -2.405 1.00 . A A . 13 ASP HB2 1 1 1 203 1 1 14 ASP HB3 H 1.789 2.922 -1.063 1.00 . A A . 13 ASP HB3 1 1 1 204 1 1 14 ASP HD2 H 2.990 4.663 -1.372 1.00 . A A . 13 ASP HD2 1 1 1 205 1 1 14 ASP N N 2.926 0.291 -1.291 1.00 . A A . 13 ASP N 1 1 1 206 1 1 14 ASP O O 5.459 2.333 -1.307 1.00 . A A . 13 ASP O 1 1 1 207 1 1 14 ASP OD1 O 2.160 3.726 -4.192 1.00 . A A . 13 ASP OD1 1 1 1 208 1 1 14 ASP OD2 O 2.892 4.835 -2.312 1.00 . A A . 13 ASP OD2 1 1 1 209 1 1 15 VAL C C 5.340 1.504 2.357 1.00 . A A . 14 VAL C 1 1 1 210 1 1 15 VAL CA C 4.993 2.729 1.431 1.00 . A A . 14 VAL CA 1 1 1 211 1 1 15 VAL CB C 4.723 4.070 2.120 1.00 . A A . 14 VAL CB 1 1 1 212 1 1 15 VAL CG1 C 4.669 5.193 1.071 1.00 . A A . 14 VAL CG1 1 1 1 213 1 1 15 VAL CG2 C 3.465 4.048 3.006 1.00 . A A . 14 VAL CG2 1 1 1 214 1 1 15 VAL H H 3.063 1.973 0.673 1.00 . A A . 14 VAL H 1 1 1 215 1 1 15 VAL HA H 5.940 2.861 0.883 1.00 . A A . 14 VAL HA 1 1 1 216 1 1 15 VAL HB H 5.622 4.249 2.734 1.00 . A A . 14 VAL HB 1 1 1 217 1 1 15 VAL HG11 H 3.798 5.062 0.400 1.00 . A A . 14 VAL HG11 1 1 1 218 1 1 15 VAL HG12 H 5.572 5.159 0.431 1.00 . A A . 14 VAL HG12 1 1 1 219 1 1 15 VAL HG13 H 4.608 6.182 1.544 1.00 . A A . 14 VAL HG13 1 1 1 220 1 1 15 VAL HG21 H 3.316 5.011 3.518 1.00 . A A . 14 VAL HG21 1 1 1 221 1 1 15 VAL HG22 H 2.562 3.823 2.408 1.00 . A A . 14 VAL HG22 1 1 1 222 1 1 15 VAL HG23 H 3.539 3.263 3.780 1.00 . A A . 14 VAL HG23 1 1 1 223 1 1 15 VAL N N 3.974 2.345 0.414 1.00 . A A . 14 VAL N 1 1 1 224 1 1 15 VAL O O 5.394 1.496 3.588 1.00 . A A . 14 VAL O 1 1 1 225 1 1 16 TYR C C 6.934 -1.198 0.612 1.00 . A A . 15 TYR C 1 1 1 226 1 1 16 TYR CA C 6.055 -0.874 1.862 1.00 . A A . 15 TYR CA 1 1 1 227 1 1 16 TYR CB C 4.930 -1.876 2.167 1.00 . A A . 15 TYR CB 1 1 1 228 1 1 16 TYR CD1 C 6.022 -3.661 3.615 1.00 . A A . 15 TYR CD1 1 1 1 229 1 1 16 TYR CD2 C 5.471 -4.221 1.330 1.00 . A A . 15 TYR CD2 1 1 1 230 1 1 16 TYR CE1 C 6.621 -4.908 3.775 1.00 . A A . 15 TYR CE1 1 1 1 231 1 1 16 TYR CE2 C 6.071 -5.467 1.492 1.00 . A A . 15 TYR CE2 1 1 1 232 1 1 16 TYR CG C 5.443 -3.309 2.392 1.00 . A A . 15 TYR CG 1 1 1 233 1 1 16 TYR CZ C 6.647 -5.812 2.714 1.00 . A A . 15 TYR CZ 1 1 1 234 1 1 16 TYR H H 5.172 0.746 0.649 1.00 . A A . 15 TYR H 1 1 1 235 1 1 16 TYR HA H 6.715 -0.794 2.733 1.00 . A A . 15 TYR HA 1 1 1 236 1 1 16 TYR HB2 H 4.352 -1.538 3.048 1.00 . A A . 15 TYR HB2 1 1 1 237 1 1 16 TYR HB3 H 4.219 -1.838 1.331 1.00 . A A . 15 TYR HB3 1 1 1 238 1 1 16 TYR HD1 H 6.057 -2.948 4.425 1.00 . A A . 15 TYR HD1 1 1 1 239 1 1 16 TYR HD2 H 5.087 -3.945 0.357 1.00 . A A . 15 TYR HD2 1 1 1 240 1 1 16 TYR HE1 H 7.090 -5.149 4.718 1.00 . A A . 15 TYR HE1 1 1 1 241 1 1 16 TYR HE2 H 6.115 -6.145 0.653 1.00 . A A . 15 TYR HE2 1 1 1 242 1 1 16 TYR HH H 7.202 -7.513 2.035 1.00 . A A . 15 TYR HH 1 1 1 243 1 1 16 TYR N N 5.618 0.489 1.560 1.00 . A A . 15 TYR N 1 1 1 244 1 1 16 TYR O O 8.023 -1.736 0.808 1.00 . A A . 15 TYR O 1 1 1 245 1 1 16 TYR OH O 7.267 -7.027 2.860 1.00 . A A . 15 TYR OH 1 1 1 246 1 1 17 ASP C C 8.395 -0.090 -1.922 1.00 . A A . 16 ASP C 1 1 1 247 1 1 17 ASP CA C 7.283 -1.186 -1.866 1.00 . A A . 16 ASP CA 1 1 1 248 1 1 17 ASP CB C 6.407 -1.343 -3.118 1.00 . A A . 16 ASP CB 1 1 1 249 1 1 17 ASP CG C 7.151 -1.787 -4.383 1.00 . A A . 16 ASP CG 1 1 1 250 1 1 17 ASP H H 5.600 -0.402 -0.661 1.00 . A A . 16 ASP H 1 1 1 251 1 1 17 ASP HA H 7.808 -2.115 -1.702 1.00 . A A . 16 ASP HA 1 1 1 252 1 1 17 ASP HB2 H 5.579 -2.052 -2.927 1.00 . A A . 16 ASP HB2 1 1 1 253 1 1 17 ASP HB3 H 5.932 -0.376 -3.293 1.00 . A A . 16 ASP HB3 1 1 1 254 1 1 17 ASP HD2 H 7.778 -3.422 -5.233 1.00 . A A . 16 ASP HD2 1 1 1 255 1 1 17 ASP N N 6.461 -0.967 -0.651 1.00 . A A . 16 ASP N 1 1 1 256 1 1 17 ASP O O 9.545 -0.434 -2.207 1.00 . A A . 16 ASP O 1 1 1 257 1 1 17 ASP OD1 O 7.557 -1.002 -5.241 1.00 . A A . 16 ASP OD1 1 1 1 258 1 1 17 ASP OD2 O 7.311 -3.148 -4.441 1.00 . A A . 16 ASP OD2 1 1 1 259 1 1 18 LYS C C 9.975 2.175 -0.320 1.00 . A A . 17 LYS C 1 1 1 260 1 1 18 LYS CA C 9.072 2.295 -1.621 1.00 . A A . 17 LYS CA 1 1 1 261 1 1 18 LYS CB C 8.375 3.683 -1.669 1.00 . A A . 17 LYS CB 1 1 1 262 1 1 18 LYS CD C 6.778 5.290 -2.894 1.00 . A A . 17 LYS CD 1 1 1 263 1 1 18 LYS CE C 6.001 5.578 -4.192 1.00 . A A . 17 LYS CE 1 1 1 264 1 1 18 LYS CG C 7.645 4.019 -2.992 1.00 . A A . 17 LYS CG 1 1 1 265 1 1 18 LYS H H 7.124 1.379 -1.291 1.00 . A A . 17 LYS H 1 1 1 266 1 1 18 LYS HA H 9.706 2.192 -2.509 1.00 . A A . 17 LYS HA 1 1 1 267 1 1 18 LYS HB2 H 7.671 3.768 -0.818 1.00 . A A . 17 LYS HB2 1 1 1 268 1 1 18 LYS HB3 H 9.127 4.476 -1.490 1.00 . A A . 17 LYS HB3 1 1 1 269 1 1 18 LYS HD2 H 6.064 5.182 -2.055 1.00 . A A . 17 LYS HD2 1 1 1 270 1 1 18 LYS HD3 H 7.421 6.154 -2.638 1.00 . A A . 17 LYS HD3 1 1 1 271 1 1 18 LYS HE2 H 6.698 5.702 -5.041 1.00 . A A . 17 LYS HE2 1 1 1 272 1 1 18 LYS HE3 H 5.347 4.724 -4.447 1.00 . A A . 17 LYS HE3 1 1 1 273 1 1 18 LYS HG2 H 8.389 4.128 -3.804 1.00 . A A . 17 LYS HG2 1 1 1 274 1 1 18 LYS HG3 H 7.002 3.171 -3.293 1.00 . A A . 17 LYS HG3 1 1 1 275 1 1 18 LYS HZ1 H 4.641 6.944 -4.930 1.00 . A A . 17 LYS HZ1 1 1 1 276 1 1 18 LYS HZ3 H 4.474 6.666 -3.328 1.00 . A A . 17 LYS HZ3 1 1 1 277 1 1 18 LYS N N 8.066 1.203 -1.669 1.00 . A A . 17 LYS N 1 1 1 278 1 1 18 LYS NZ N 5.174 6.791 -4.067 1.00 . A A . 17 LYS NZ 1 1 1 279 1 1 18 LYS O O 11.052 2.775 -0.268 1.00 . A A . 17 LYS O 1 1 1 280 1 1 19 VAL C C 11.270 -0.010 1.779 1.00 . A A . 18 VAL C 1 1 1 281 1 1 19 VAL CA C 10.236 1.129 1.980 1.00 . A A . 18 VAL CA 1 1 1 282 1 1 19 VAL CB C 9.247 0.984 3.187 1.00 . A A . 18 VAL CB 1 1 1 283 1 1 19 VAL CG1 C 9.808 0.340 4.459 1.00 . A A . 18 VAL CG1 1 1 1 284 1 1 19 VAL CG2 C 8.543 2.306 3.551 1.00 . A A . 18 VAL CG2 1 1 1 285 1 1 19 VAL H H 8.786 0.772 0.373 1.00 . A A . 18 VAL H 1 1 1 286 1 1 19 VAL HA H 10.826 2.001 2.161 1.00 . A A . 18 VAL HA 1 1 1 287 1 1 19 VAL HB H 8.468 0.289 2.905 1.00 . A A . 18 VAL HB 1 1 1 288 1 1 19 VAL HG11 H 10.160 -0.686 4.244 1.00 . A A . 18 VAL HG11 1 1 1 289 1 1 19 VAL HG12 H 10.645 0.923 4.875 1.00 . A A . 18 VAL HG12 1 1 1 290 1 1 19 VAL HG13 H 9.018 0.239 5.226 1.00 . A A . 18 VAL HG13 1 1 1 291 1 1 19 VAL HG21 H 9.257 3.075 3.891 1.00 . A A . 18 VAL HG21 1 1 1 292 1 1 19 VAL HG22 H 7.799 2.155 4.356 1.00 . A A . 18 VAL HG22 1 1 1 293 1 1 19 VAL HG23 H 7.987 2.714 2.687 1.00 . A A . 18 VAL HG23 1 1 1 294 1 1 19 VAL N N 9.520 1.405 0.708 1.00 . A A . 18 VAL N 1 1 1 295 1 1 19 VAL O O 12.447 0.181 2.104 1.00 . A A . 18 VAL O 1 1 1 296 1 1 20 LYS C C 12.813 -2.027 -0.146 1.00 . A A . 19 LYS C 1 1 1 297 1 1 20 LYS CA C 11.734 -2.325 0.969 1.00 . A A . 19 LYS CA 1 1 1 298 1 1 20 LYS CB C 10.811 -3.521 0.601 1.00 . A A . 19 LYS CB 1 1 1 299 1 1 20 LYS CD C 10.463 -6.055 0.359 1.00 . A A . 19 LYS CD 1 1 1 300 1 1 20 LYS CE C 11.063 -7.475 0.378 1.00 . A A . 19 LYS CE 1 1 1 301 1 1 20 LYS CG C 11.473 -4.916 0.629 1.00 . A A . 19 LYS CG 1 1 1 302 1 1 20 LYS H H 9.842 -1.211 1.041 1.00 . A A . 19 LYS H 1 1 1 303 1 1 20 LYS HA H 12.251 -2.569 1.911 1.00 . A A . 19 LYS HA 1 1 1 304 1 1 20 LYS HB2 H 9.958 -3.558 1.307 1.00 . A A . 19 LYS HB2 1 1 1 305 1 1 20 LYS HB3 H 10.355 -3.344 -0.393 1.00 . A A . 19 LYS HB3 1 1 1 306 1 1 20 LYS HD2 H 9.621 -5.998 1.076 1.00 . A A . 19 LYS HD2 1 1 1 307 1 1 20 LYS HD3 H 10.005 -5.891 -0.634 1.00 . A A . 19 LYS HD3 1 1 1 308 1 1 20 LYS HE2 H 10.324 -8.187 -0.033 1.00 . A A . 19 LYS HE2 1 1 1 309 1 1 20 LYS HE3 H 11.940 -7.535 -0.294 1.00 . A A . 19 LYS HE3 1 1 1 310 1 1 20 LYS HG2 H 12.286 -4.963 -0.118 1.00 . A A . 19 LYS HG2 1 1 1 311 1 1 20 LYS HG3 H 11.955 -5.072 1.612 1.00 . A A . 19 LYS HG3 1 1 1 312 1 1 20 LYS HZ1 H 11.854 -8.868 1.682 1.00 . A A . 19 LYS HZ1 1 1 1 313 1 1 20 LYS HZ3 H 12.183 -7.324 2.108 1.00 . A A . 19 LYS HZ3 1 1 1 314 1 1 20 LYS N N 10.839 -1.178 1.268 1.00 . A A . 19 LYS N 1 1 1 315 1 1 20 LYS NZ N 11.445 -7.929 1.729 1.00 . A A . 19 LYS NZ 1 1 1 316 1 1 20 LYS O O 13.772 -2.791 -0.282 1.00 . A A . 19 LYS O 1 1 1 317 1 1 21 GLU C C 14.715 0.412 -1.394 1.00 . A A . 20 GLU C 1 1 1 318 1 1 21 GLU CA C 13.586 -0.475 -1.965 1.00 . A A . 20 GLU CA 1 1 1 319 1 1 21 GLU CB C 12.751 0.132 -3.111 1.00 . A A . 20 GLU CB 1 1 1 320 1 1 21 GLU CD C 14.114 -0.611 -5.179 1.00 . A A . 20 GLU CD 1 1 1 321 1 1 21 GLU CG C 13.509 0.552 -4.385 1.00 . A A . 20 GLU CG 1 1 1 322 1 1 21 GLU H H 11.989 -0.238 -0.545 1.00 . A A . 20 GLU H 1 1 1 323 1 1 21 GLU HA H 14.052 -1.347 -2.365 1.00 . A A . 20 GLU HA 1 1 1 324 1 1 21 GLU HB2 H 11.933 -0.560 -3.386 1.00 . A A . 20 GLU HB2 1 1 1 325 1 1 21 GLU HB3 H 12.248 1.014 -2.705 1.00 . A A . 20 GLU HB3 1 1 1 326 1 1 21 GLU HE2 H 15.731 -0.244 -4.159 1.00 . A A . 20 GLU HE2 1 1 1 327 1 1 21 GLU HG2 H 12.805 1.097 -5.040 1.00 . A A . 20 GLU HG2 1 1 1 328 1 1 21 GLU HG3 H 14.292 1.287 -4.125 1.00 . A A . 20 GLU HG3 1 1 1 329 1 1 21 GLU N N 12.655 -0.922 -0.917 1.00 . A A . 20 GLU N 1 1 1 330 1 1 21 GLU O O 15.892 0.054 -1.430 1.00 . A A . 20 GLU O 1 1 1 331 1 1 21 GLU OE1 O 13.490 -1.253 -6.024 1.00 . A A . 20 GLU OE1 1 1 1 332 1 1 21 GLU OE2 O 15.422 -0.849 -4.837 1.00 . A A . 20 GLU OE2 1 1 1 333 1 1 22 NH2 HN1 H 14.321 1.256 0.211 1.00 . A A . 21 NH2 HN1 1 1 1 334 1 1 22 NH2 HN2 H 13.559 1.959 -1.223 1.00 . A A . 21 NH2 HN2 1 1 1 335 1 1 22 NH2 N N 14.374 1.525 -0.773 1.00 . A A . 21 NH2 N 1 1 2 336 1 1 2 GLU C C -13.191 -2.839 -1.971 1.00 . A A . 1 ACE C 1 1 2 337 1 1 2 GLU CA C -14.184 -0.720 -1.050 1.00 . A A . 1 ACE CA 1 1 2 338 1 1 2 GLU CB C -15.350 -0.523 -0.022 1.00 . A A . 1 ACE CB 1 1 2 339 1 1 2 GLU CD C -16.809 -2.684 0.052 1.00 . A A . 1 ACE CD 1 1 2 340 1 1 2 GLU CG C -16.710 -1.195 -0.303 1.00 . A A . 1 ACE CG 1 1 2 341 1 1 2 GLU H H -14.371 -2.769 -0.401 1.00 . A A . 1 ACE H 1 1 2 342 1 1 2 GLU HA H -14.638 -0.512 -2.033 1.00 . A A . 1 ACE HA 1 1 2 343 1 1 2 GLU HB2 H -14.995 -0.728 1.005 1.00 . A A . 1 ACE HB2 1 1 2 344 1 1 2 GLU HB3 H -15.598 0.549 0.006 1.00 . A A . 1 ACE HB3 1 1 2 345 1 1 2 GLU HE2 H -16.870 -4.416 -0.834 1.00 . A A . 1 ACE HE2 1 1 2 346 1 1 2 GLU HG2 H -17.478 -0.658 0.283 1.00 . A A . 1 ACE HG2 1 1 2 347 1 1 2 GLU HG3 H -16.986 -1.019 -1.360 1.00 . A A . 1 ACE HG3 1 1 2 348 1 1 2 GLU N N -13.788 -2.153 -0.977 1.00 . A A . 1 ACE N 1 1 2 349 1 1 2 GLU O O -13.059 -4.053 -1.823 1.00 . A A . 1 ACE O 1 1 2 350 1 1 2 GLU OE1 O -16.879 -3.101 1.207 1.00 . A A . 1 ACE OE1 1 1 2 351 1 1 2 GLU OE2 O -16.809 -3.485 -1.062 1.00 . A A . 1 ACE OE2 1 1 2 352 1 1 3 SER C C -11.168 2.173 0.785 1.00 . A A . 2 SER C 1 1 2 353 1 1 3 SER CA C -12.277 2.584 -0.193 1.00 . A A . 2 SER CA 1 1 2 354 1 1 3 SER CB C -12.996 3.866 0.243 1.00 . A A . 2 SER CB 1 1 2 355 1 1 3 SER H H -14.289 1.684 -0.371 1.00 . A A . 2 SER H 1 1 2 356 1 1 3 SER HA H -11.823 2.827 -1.153 1.00 . A A . 2 SER HA 1 1 2 357 1 1 3 SER HB2 H -13.915 4.027 -0.339 1.00 . A A . 2 SER HB2 1 1 2 358 1 1 3 SER HB3 H -13.324 3.749 1.276 1.00 . A A . 2 SER HB3 1 1 2 359 1 1 3 SER HG H -12.665 5.751 0.439 1.00 . A A . 2 SER HG 1 1 2 360 1 1 3 SER N N -13.282 1.513 -0.431 1.00 . A A . 2 SER N 1 1 2 361 1 1 3 SER O O -9.995 2.305 0.448 1.00 . A A . 2 SER O 1 1 2 362 1 1 3 SER OG O -12.147 5.003 0.133 1.00 . A A . 2 SER OG 1 1 2 363 1 1 4 ALA C C -9.956 -0.253 2.757 1.00 . A A . 3 ALA C 1 1 2 364 1 1 4 ALA CA C -10.600 1.162 2.987 1.00 . A A . 3 ALA CA 1 1 2 365 1 1 4 ALA CB C -11.281 1.252 4.351 1.00 . A A . 3 ALA CB 1 1 2 366 1 1 4 ALA H H -12.584 1.629 2.024 1.00 . A A . 3 ALA H 1 1 2 367 1 1 4 ALA HA H -9.732 1.845 2.928 1.00 . A A . 3 ALA HA 1 1 2 368 1 1 4 ALA HB1 H -11.660 2.271 4.545 1.00 . A A . 3 ALA HB1 1 1 2 369 1 1 4 ALA HB2 H -12.133 0.548 4.406 1.00 . A A . 3 ALA HB2 1 1 2 370 1 1 4 ALA HB3 H -10.574 0.993 5.157 1.00 . A A . 3 ALA HB3 1 1 2 371 1 1 4 ALA N N -11.564 1.664 1.964 1.00 . A A . 3 ALA N 1 1 2 372 1 1 4 ALA O O -9.418 -0.909 3.653 1.00 . A A . 3 ALA O 1 1 2 373 1 1 5 LYS C C -8.952 -1.623 -0.577 1.00 . A A . 4 LYS C 1 1 2 374 1 1 5 LYS CA C -9.538 -1.897 0.874 1.00 . A A . 4 LYS CA 1 1 2 375 1 1 5 LYS CB C -10.554 -3.066 0.884 1.00 . A A . 4 LYS CB 1 1 2 376 1 1 5 LYS CD C -11.915 -4.822 2.169 1.00 . A A . 4 LYS CD 1 1 2 377 1 1 5 LYS CE C -12.281 -5.403 3.547 1.00 . A A . 4 LYS CE 1 1 2 378 1 1 5 LYS CG C -10.919 -3.650 2.266 1.00 . A A . 4 LYS CG 1 1 2 379 1 1 5 LYS H H -10.657 -0.011 1.002 1.00 . A A . 4 LYS H 1 1 2 380 1 1 5 LYS HA H -8.631 -2.106 1.451 1.00 . A A . 4 LYS HA 1 1 2 381 1 1 5 LYS HB2 H -11.470 -2.729 0.369 1.00 . A A . 4 LYS HB2 1 1 2 382 1 1 5 LYS HB3 H -10.155 -3.887 0.261 1.00 . A A . 4 LYS HB3 1 1 2 383 1 1 5 LYS HD2 H -12.833 -4.481 1.651 1.00 . A A . 4 LYS HD2 1 1 2 384 1 1 5 LYS HD3 H -11.484 -5.618 1.531 1.00 . A A . 4 LYS HD3 1 1 2 385 1 1 5 LYS HE2 H -11.374 -5.759 4.070 1.00 . A A . 4 LYS HE2 1 1 2 386 1 1 5 LYS HE3 H -12.725 -4.621 4.191 1.00 . A A . 4 LYS HE3 1 1 2 387 1 1 5 LYS HG2 H -9.997 -3.982 2.779 1.00 . A A . 4 LYS HG2 1 1 2 388 1 1 5 LYS HG3 H -11.352 -2.857 2.903 1.00 . A A . 4 LYS HG3 1 1 2 389 1 1 5 LYS HZ1 H -12.811 -7.286 2.888 1.00 . A A . 4 LYS HZ1 1 1 2 390 1 1 5 LYS HZ3 H -13.437 -6.913 4.351 1.00 . A A . 4 LYS HZ3 1 1 2 391 1 1 5 LYS N N -10.067 -0.670 1.504 1.00 . A A . 4 LYS N 1 1 2 392 1 1 5 LYS NZ N -13.234 -6.521 3.425 1.00 . A A . 4 LYS NZ 1 1 2 393 1 1 5 LYS O O -8.699 -2.536 -1.365 1.00 . A A . 4 LYS O 1 1 2 394 1 1 6 HIS C C -7.040 1.221 -1.580 1.00 . A A . 5 HIS C 1 1 2 395 1 1 6 HIS CA C -8.171 0.271 -2.096 1.00 . A A . 5 HIS CA 1 1 2 396 1 1 6 HIS CB C -9.236 0.920 -3.006 1.00 . A A . 5 HIS CB 1 1 2 397 1 1 6 HIS CD2 C -7.905 0.536 -5.194 1.00 . A A . 5 HIS CD2 1 1 2 398 1 1 6 HIS CE1 C -8.060 2.460 -6.027 1.00 . A A . 5 HIS CE1 1 1 2 399 1 1 6 HIS CG C -8.653 1.364 -4.341 1.00 . A A . 5 HIS CG 1 1 2 400 1 1 6 HIS H H -9.360 0.231 -0.274 1.00 . A A . 5 HIS H 1 1 2 401 1 1 6 HIS HA H -7.639 -0.531 -2.614 1.00 . A A . 5 HIS HA 1 1 2 402 1 1 6 HIS HB2 H -10.050 0.198 -3.207 1.00 . A A . 5 HIS HB2 1 1 2 403 1 1 6 HIS HB3 H -9.722 1.769 -2.486 1.00 . A A . 5 HIS HB3 1 1 2 404 1 1 6 HIS HD2 H -7.665 -0.501 -5.007 1.00 . A A . 5 HIS HD2 1 1 2 405 1 1 6 HIS HE1 H -7.937 3.281 -6.718 1.00 . A A . 5 HIS HE1 1 1 2 406 1 1 6 HIS HE2 H -6.955 0.937 -7.122 1.00 . A A . 5 HIS HE2 1 1 2 407 1 1 6 HIS N N -8.753 -0.331 -0.880 1.00 . A A . 5 HIS N 1 1 2 408 1 1 6 HIS ND1 N -8.768 2.646 -4.865 1.00 . A A . 5 HIS ND1 1 1 2 409 1 1 6 HIS NE2 N -7.511 1.239 -6.314 1.00 . A A . 5 HIS NE2 1 1 2 410 1 1 6 HIS O O -5.959 1.226 -2.173 1.00 . A A . 5 HIS O 1 1 2 411 1 1 7 MET C C -5.360 2.000 0.906 1.00 . A A . 6 MET C 1 1 2 412 1 1 7 MET CA C -6.293 2.938 0.098 1.00 . A A . 6 MET CA 1 1 2 413 1 1 7 MET CB C -6.915 4.114 0.904 1.00 . A A . 6 MET CB 1 1 2 414 1 1 7 MET CE C -8.810 6.415 2.601 1.00 . A A . 6 MET CE 1 1 2 415 1 1 7 MET CG C -7.840 3.825 2.102 1.00 . A A . 6 MET CG 1 1 2 416 1 1 7 MET H H -8.098 1.791 0.023 1.00 . A A . 6 MET H 1 1 2 417 1 1 7 MET HA H -5.657 3.326 -0.701 1.00 . A A . 6 MET HA 1 1 2 418 1 1 7 MET HB2 H -6.088 4.728 1.294 1.00 . A A . 6 MET HB2 1 1 2 419 1 1 7 MET HB3 H -7.482 4.766 0.218 1.00 . A A . 6 MET HB3 1 1 2 420 1 1 7 MET HE1 H -8.429 6.743 1.617 1.00 . A A . 6 MET HE1 1 1 2 421 1 1 7 MET HE2 H -9.835 6.025 2.464 1.00 . A A . 6 MET HE2 1 1 2 422 1 1 7 MET HE3 H -8.867 7.301 3.258 1.00 . A A . 6 MET HE3 1 1 2 423 1 1 7 MET HG2 H -8.887 3.714 1.780 1.00 . A A . 6 MET HG2 1 1 2 424 1 1 7 MET HG3 H -7.572 2.878 2.594 1.00 . A A . 6 MET HG3 1 1 2 425 1 1 7 MET N N -7.290 2.056 -0.533 1.00 . A A . 6 MET N 1 1 2 426 1 1 7 MET O O -4.159 2.076 0.695 1.00 . A A . 6 MET O 1 1 2 427 1 1 7 MET SD S -7.733 5.159 3.325 1.00 . A A . 6 MET SD 1 1 2 428 1 1 8 PHE C C -4.367 -0.896 1.620 1.00 . A A . 7 PHE C 1 1 2 429 1 1 8 PHE CA C -5.110 0.112 2.544 1.00 . A A . 7 PHE CA 1 1 2 430 1 1 8 PHE CB C -6.081 -0.586 3.523 1.00 . A A . 7 PHE CB 1 1 2 431 1 1 8 PHE CD1 C -5.278 -0.233 5.904 1.00 . A A . 7 PHE CD1 1 1 2 432 1 1 8 PHE CD2 C -7.156 1.070 5.122 1.00 . A A . 7 PHE CD2 1 1 2 433 1 1 8 PHE CE1 C -5.342 0.417 7.131 1.00 . A A . 7 PHE CE1 1 1 2 434 1 1 8 PHE CE2 C -7.219 1.719 6.348 1.00 . A A . 7 PHE CE2 1 1 2 435 1 1 8 PHE CG C -6.184 0.092 4.891 1.00 . A A . 7 PHE CG 1 1 2 436 1 1 8 PHE CZ C -6.312 1.393 7.357 1.00 . A A . 7 PHE CZ 1 1 2 437 1 1 8 PHE H H -6.907 1.035 1.737 1.00 . A A . 7 PHE H 1 1 2 438 1 1 8 PHE HA H -4.342 0.665 3.092 1.00 . A A . 7 PHE HA 1 1 2 439 1 1 8 PHE HB2 H -7.072 -0.600 3.052 1.00 . A A . 7 PHE HB2 1 1 2 440 1 1 8 PHE HB3 H -5.843 -1.659 3.642 1.00 . A A . 7 PHE HB3 1 1 2 441 1 1 8 PHE HD1 H -4.513 -0.980 5.739 1.00 . A A . 7 PHE HD1 1 1 2 442 1 1 8 PHE HD2 H -7.861 1.340 4.349 1.00 . A A . 7 PHE HD2 1 1 2 443 1 1 8 PHE HE1 H -4.624 0.159 7.893 1.00 . A A . 7 PHE HE1 1 1 2 444 1 1 8 PHE HE2 H -7.971 2.477 6.495 1.00 . A A . 7 PHE HE2 1 1 2 445 1 1 8 PHE HZ H -6.357 1.901 8.309 1.00 . A A . 7 PHE HZ 1 1 2 446 1 1 8 PHE N N -5.889 1.107 1.770 1.00 . A A . 7 PHE N 1 1 2 447 1 1 8 PHE O O -3.260 -1.314 1.963 1.00 . A A . 7 PHE O 1 1 2 448 1 1 9 ASP C C -3.089 -1.481 -1.136 1.00 . A A . 8 ASP C 1 1 2 449 1 1 9 ASP CA C -4.339 -2.195 -0.526 1.00 . A A . 8 ASP CA 1 1 2 450 1 1 9 ASP CB C -5.374 -2.548 -1.619 1.00 . A A . 8 ASP CB 1 1 2 451 1 1 9 ASP CG C -4.975 -3.704 -2.546 1.00 . A A . 8 ASP CG 1 1 2 452 1 1 9 ASP H H -5.981 -1.056 0.490 1.00 . A A . 8 ASP H 1 1 2 453 1 1 9 ASP HA H -4.068 -3.143 -0.022 1.00 . A A . 8 ASP HA 1 1 2 454 1 1 9 ASP HB2 H -6.319 -2.805 -1.130 1.00 . A A . 8 ASP HB2 1 1 2 455 1 1 9 ASP HB3 H -5.617 -1.661 -2.232 1.00 . A A . 8 ASP HB3 1 1 2 456 1 1 9 ASP HD2 H -5.032 -5.650 -2.594 1.00 . A A . 8 ASP HD2 1 1 2 457 1 1 9 ASP N N -4.977 -1.287 0.475 1.00 . A A . 8 ASP N 1 1 2 458 1 1 9 ASP O O -2.012 -2.080 -1.201 1.00 . A A . 8 ASP O 1 1 2 459 1 1 9 ASP OD1 O -4.436 -3.539 -3.640 1.00 . A A . 8 ASP OD1 1 1 2 460 1 1 9 ASP OD2 O -5.284 -4.929 -2.012 1.00 . A A . 8 ASP OD2 1 1 2 461 1 1 10 ARG C C -1.114 0.906 -1.017 1.00 . A A . 9 ARG C 1 1 2 462 1 1 10 ARG CA C -2.176 0.647 -2.106 1.00 . A A . 9 ARG CA 1 1 2 463 1 1 10 ARG CB C -2.699 1.966 -2.715 1.00 . A A . 9 ARG CB 1 1 2 464 1 1 10 ARG CD C -3.935 3.122 -4.656 1.00 . A A . 9 ARG CD 1 1 2 465 1 1 10 ARG CG C -3.343 1.808 -4.111 1.00 . A A . 9 ARG CG 1 1 2 466 1 1 10 ARG CZ C -4.836 3.972 -6.835 1.00 . A A . 9 ARG CZ 1 1 2 467 1 1 10 ARG H H -4.236 0.131 -1.456 1.00 . A A . 9 ARG H 1 1 2 468 1 1 10 ARG HA H -1.673 0.051 -2.868 1.00 . A A . 9 ARG HA 1 1 2 469 1 1 10 ARG HB2 H -3.405 2.453 -2.014 1.00 . A A . 9 ARG HB2 1 1 2 470 1 1 10 ARG HB3 H -1.853 2.674 -2.808 1.00 . A A . 9 ARG HB3 1 1 2 471 1 1 10 ARG HD2 H -4.801 3.430 -4.039 1.00 . A A . 9 ARG HD2 1 1 2 472 1 1 10 ARG HD3 H -3.187 3.934 -4.574 1.00 . A A . 9 ARG HD3 1 1 2 473 1 1 10 ARG HG2 H -2.575 1.420 -4.809 1.00 . A A . 9 ARG HG2 1 1 2 474 1 1 10 ARG HG3 H -4.133 1.034 -4.079 1.00 . A A . 9 ARG HG3 1 1 2 475 1 1 10 ARG HH11 H -4.783 5.403 -5.421 1.00 . A A . 9 ARG HH11 1 1 2 476 1 1 10 ARG HH12 H -5.408 5.886 -7.077 1.00 . A A . 9 ARG HH12 1 1 2 477 1 1 10 ARG HH21 H -4.988 2.736 -8.402 1.00 . A A . 9 ARG HH21 1 1 2 478 1 1 10 ARG HH22 H -5.516 4.476 -8.650 1.00 . A A . 9 ARG HH22 1 1 2 479 1 1 10 ARG N N -3.265 -0.201 -1.561 1.00 . A A . 9 ARG N 1 1 2 480 1 1 10 ARG NE N -4.347 2.975 -6.072 1.00 . A A . 9 ARG NE 1 1 2 481 1 1 10 ARG NH1 N -5.029 5.216 -6.399 1.00 . A A . 9 ARG NH1 1 1 2 482 1 1 10 ARG NH2 N -5.145 3.700 -8.090 1.00 . A A . 9 ARG NH2 1 1 2 483 1 1 10 ARG O O 0.036 0.514 -1.207 1.00 . A A . 9 ARG O 1 1 2 484 1 1 11 ILE C C 0.272 0.518 1.694 1.00 . A A . 10 ILE C 1 1 2 485 1 1 11 ILE CA C -0.597 1.762 1.302 1.00 . A A . 10 ILE CA 1 1 2 486 1 1 11 ILE CB C -1.527 2.325 2.422 1.00 . A A . 10 ILE CB 1 1 2 487 1 1 11 ILE CD1 C -3.197 4.267 2.846 1.00 . A A . 10 ILE CD1 1 1 2 488 1 1 11 ILE CG1 C -1.965 3.777 2.090 1.00 . A A . 10 ILE CG1 1 1 2 489 1 1 11 ILE CG2 C -1.017 2.207 3.869 1.00 . A A . 10 ILE CG2 1 1 2 490 1 1 11 ILE H H -2.497 1.757 0.215 1.00 . A A . 10 ILE H 1 1 2 491 1 1 11 ILE HA H 0.092 2.554 0.999 1.00 . A A . 10 ILE HA 1 1 2 492 1 1 11 ILE HB H -2.413 1.688 2.412 1.00 . A A . 10 ILE HB 1 1 2 493 1 1 11 ILE HD11 H -4.010 3.521 2.798 1.00 . A A . 10 ILE HD11 1 1 2 494 1 1 11 ILE HD12 H -3.575 5.198 2.393 1.00 . A A . 10 ILE HD12 1 1 2 495 1 1 11 ILE HD13 H -2.969 4.447 3.908 1.00 . A A . 10 ILE HD13 1 1 2 496 1 1 11 ILE HG12 H -1.113 4.461 2.216 1.00 . A A . 10 ILE HG12 1 1 2 497 1 1 11 ILE HG13 H -2.226 3.842 1.020 1.00 . A A . 10 ILE HG13 1 1 2 498 1 1 11 ILE HG21 H -0.834 1.148 4.127 1.00 . A A . 10 ILE HG21 1 1 2 499 1 1 11 ILE HG22 H -1.779 2.561 4.585 1.00 . A A . 10 ILE HG22 1 1 2 500 1 1 11 ILE HG23 H -0.086 2.776 4.019 1.00 . A A . 10 ILE HG23 1 1 2 501 1 1 11 ILE N N -1.496 1.502 0.128 1.00 . A A . 10 ILE N 1 1 2 502 1 1 11 ILE O O 1.469 0.651 1.961 1.00 . A A . 10 ILE O 1 1 2 503 1 1 12 GLY C C 1.438 -2.381 1.034 1.00 . A A . 11 GLY C 1 1 2 504 1 1 12 GLY CA C 0.278 -1.964 1.979 1.00 . A A . 11 GLY CA 1 1 2 505 1 1 12 GLY H H -1.380 -0.558 1.542 1.00 . A A . 11 GLY H 1 1 2 506 1 1 12 GLY HA2 H 0.653 -1.924 3.013 1.00 . A A . 11 GLY HA2 1 1 2 507 1 1 12 GLY HA3 H -0.493 -2.744 1.908 1.00 . A A . 11 GLY HA3 1 1 2 508 1 1 12 GLY N N -0.372 -0.666 1.703 1.00 . A A . 11 GLY N 1 1 2 509 1 1 12 GLY O O 2.225 -3.255 1.397 1.00 . A A . 11 GLY O 1 1 2 510 1 1 13 LYS C C 2.819 -0.724 -2.016 1.00 . A A . 12 LYS C 1 1 2 511 1 1 13 LYS CA C 2.510 -2.043 -1.214 1.00 . A A . 12 LYS CA 1 1 2 512 1 1 13 LYS CB C 2.208 -3.310 -2.065 1.00 . A A . 12 LYS CB 1 1 2 513 1 1 13 LYS CD C 3.155 -5.204 -3.585 1.00 . A A . 12 LYS CD 1 1 2 514 1 1 13 LYS CE C 2.192 -5.140 -4.790 1.00 . A A . 12 LYS CE 1 1 2 515 1 1 13 LYS CG C 3.424 -3.880 -2.832 1.00 . A A . 12 LYS CG 1 1 2 516 1 1 13 LYS H H 0.599 -1.304 -0.394 1.00 . A A . 12 LYS H 1 1 2 517 1 1 13 LYS HA H 3.448 -2.172 -0.648 1.00 . A A . 12 LYS HA 1 1 2 518 1 1 13 LYS HB2 H 1.826 -4.116 -1.409 1.00 . A A . 12 LYS HB2 1 1 2 519 1 1 13 LYS HB3 H 1.381 -3.093 -2.768 1.00 . A A . 12 LYS HB3 1 1 2 520 1 1 13 LYS HD2 H 4.123 -5.623 -3.920 1.00 . A A . 12 LYS HD2 1 1 2 521 1 1 13 LYS HD3 H 2.768 -5.949 -2.864 1.00 . A A . 12 LYS HD3 1 1 2 522 1 1 13 LYS HE2 H 1.983 -6.167 -5.141 1.00 . A A . 12 LYS HE2 1 1 2 523 1 1 13 LYS HE3 H 1.213 -4.726 -4.488 1.00 . A A . 12 LYS HE3 1 1 2 524 1 1 13 LYS HG2 H 3.815 -3.131 -3.544 1.00 . A A . 12 LYS HG2 1 1 2 525 1 1 13 LYS HG3 H 4.247 -4.054 -2.114 1.00 . A A . 12 LYS HG3 1 1 2 526 1 1 13 LYS HZ1 H 2.070 -4.393 -6.713 1.00 . A A . 12 LYS HZ1 1 1 2 527 1 1 13 LYS HZ3 H 3.592 -4.789 -6.269 1.00 . A A . 12 LYS HZ3 1 1 2 528 1 1 13 LYS N N 1.455 -1.830 -0.194 1.00 . A A . 12 LYS N 1 1 2 529 1 1 13 LYS NZ N 2.726 -4.361 -5.925 1.00 . A A . 12 LYS NZ 1 1 2 530 1 1 13 LYS O O 2.959 -0.715 -3.242 1.00 . A A . 12 LYS O 1 1 2 531 1 1 14 ASP C C 4.338 2.205 -0.740 1.00 . A A . 13 ASP C 1 1 2 532 1 1 14 ASP CA C 3.309 1.744 -1.758 1.00 . A A . 13 ASP CA 1 1 2 533 1 1 14 ASP CB C 2.113 2.676 -1.951 1.00 . A A . 13 ASP CB 1 1 2 534 1 1 14 ASP CG C 2.375 3.903 -2.828 1.00 . A A . 13 ASP CG 1 1 2 535 1 1 14 ASP H H 2.542 0.333 -0.330 1.00 . A A . 13 ASP H 1 1 2 536 1 1 14 ASP HA H 3.887 1.648 -2.664 1.00 . A A . 13 ASP HA 1 1 2 537 1 1 14 ASP HB2 H 1.272 2.095 -2.334 1.00 . A A . 13 ASP HB2 1 1 2 538 1 1 14 ASP HB3 H 1.785 2.992 -0.961 1.00 . A A . 13 ASP HB3 1 1 2 539 1 1 14 ASP HD2 H 1.873 2.742 -4.307 1.00 . A A . 13 ASP HD2 1 1 2 540 1 1 14 ASP N N 2.962 0.389 -1.267 1.00 . A A . 13 ASP N 1 1 2 541 1 1 14 ASP O O 5.467 2.473 -1.150 1.00 . A A . 13 ASP O 1 1 2 542 1 1 14 ASP OD1 O 2.745 4.989 -2.380 1.00 . A A . 13 ASP OD1 1 1 2 543 1 1 14 ASP OD2 O 2.155 3.647 -4.157 1.00 . A A . 13 ASP OD2 1 1 2 544 1 1 15 VAL C C 5.290 1.519 2.490 1.00 . A A . 14 VAL C 1 1 2 545 1 1 15 VAL CA C 4.932 2.761 1.593 1.00 . A A . 14 VAL CA 1 1 2 546 1 1 15 VAL CB C 4.623 4.076 2.319 1.00 . A A . 14 VAL CB 1 1 2 547 1 1 15 VAL CG1 C 4.575 5.229 1.305 1.00 . A A . 14 VAL CG1 1 1 2 548 1 1 15 VAL CG2 C 3.347 4.003 3.176 1.00 . A A . 14 VAL CG2 1 1 2 549 1 1 15 VAL H H 3.038 1.997 0.764 1.00 . A A . 14 VAL H 1 1 2 550 1 1 15 VAL HA H 5.895 2.916 1.077 1.00 . A A . 14 VAL HA 1 1 2 551 1 1 15 VAL HB H 5.502 4.252 2.963 1.00 . A A . 14 VAL HB 1 1 2 552 1 1 15 VAL HG11 H 5.490 5.227 0.682 1.00 . A A . 14 VAL HG11 1 1 2 553 1 1 15 VAL HG12 H 3.719 5.106 0.612 1.00 . A A . 14 VAL HG12 1 1 2 554 1 1 15 VAL HG13 H 4.489 6.202 1.806 1.00 . A A . 14 VAL HG13 1 1 2 555 1 1 15 VAL HG21 H 3.417 3.192 3.923 1.00 . A A . 14 VAL HG21 1 1 2 556 1 1 15 VAL HG22 H 3.171 4.945 3.718 1.00 . A A . 14 VAL HG22 1 1 2 557 1 1 15 VAL HG23 H 2.460 3.788 2.550 1.00 . A A . 14 VAL HG23 1 1 2 558 1 1 15 VAL N N 3.943 2.400 0.537 1.00 . A A . 14 VAL N 1 1 2 559 1 1 15 VAL O O 5.398 1.503 3.718 1.00 . A A . 14 VAL O 1 1 2 560 1 1 16 TYR C C 6.900 -1.142 0.744 1.00 . A A . 15 TYR C 1 1 2 561 1 1 16 TYR CA C 5.964 -0.860 1.955 1.00 . A A . 15 TYR CA 1 1 2 562 1 1 16 TYR CB C 4.851 -1.890 2.200 1.00 . A A . 15 TYR CB 1 1 2 563 1 1 16 TYR CD1 C 5.986 -3.625 3.678 1.00 . A A . 15 TYR CD1 1 1 2 564 1 1 16 TYR CD2 C 5.417 -4.251 1.415 1.00 . A A . 15 TYR CD2 1 1 2 565 1 1 16 TYR CE1 C 6.591 -4.864 3.869 1.00 . A A . 15 TYR CE1 1 1 2 566 1 1 16 TYR CE2 C 6.023 -5.490 1.608 1.00 . A A . 15 TYR CE2 1 1 2 567 1 1 16 TYR CG C 5.392 -3.310 2.452 1.00 . A A . 15 TYR CG 1 1 2 568 1 1 16 TYR CZ C 6.609 -5.798 2.834 1.00 . A A . 15 TYR CZ 1 1 2 569 1 1 16 TYR H H 5.108 0.790 0.761 1.00 . A A . 15 TYR H 1 1 2 570 1 1 16 TYR HA H 6.595 -0.804 2.839 1.00 . A A . 15 TYR HA 1 1 2 571 1 1 16 TYR HB2 H 4.222 -1.571 3.054 1.00 . A A . 15 TYR HB2 1 1 2 572 1 1 16 TYR HB3 H 4.181 -1.868 1.331 1.00 . A A . 15 TYR HB3 1 1 2 573 1 1 16 TYR HD1 H 6.024 -2.890 4.469 1.00 . A A . 15 TYR HD1 1 1 2 574 1 1 16 TYR HD2 H 5.012 -4.008 0.441 1.00 . A A . 15 TYR HD2 1 1 2 575 1 1 16 TYR HE1 H 7.069 -5.081 4.813 1.00 . A A . 15 TYR HE1 1 1 2 576 1 1 16 TYR HE2 H 6.057 -6.197 0.792 1.00 . A A . 15 TYR HE2 1 1 2 577 1 1 16 TYR HH H 7.592 -7.045 3.903 1.00 . A A . 15 TYR HH 1 1 2 578 1 1 16 TYR N N 5.533 0.507 1.675 1.00 . A A . 15 TYR N 1 1 2 579 1 1 16 TYR O O 7.995 -1.656 0.972 1.00 . A A . 15 TYR O 1 1 2 580 1 1 16 TYR OH O 7.236 -7.006 3.012 1.00 . A A . 15 TYR OH 1 1 2 581 1 1 17 ASP C C 8.440 0.056 -1.728 1.00 . A A . 16 ASP C 1 1 2 582 1 1 17 ASP CA C 7.377 -1.078 -1.689 1.00 . A A . 16 ASP CA 1 1 2 583 1 1 17 ASP CB C 6.586 -1.321 -2.980 1.00 . A A . 16 ASP CB 1 1 2 584 1 1 17 ASP CG C 7.411 -1.840 -4.164 1.00 . A A . 16 ASP CG 1 1 2 585 1 1 17 ASP H H 5.628 -0.316 -0.568 1.00 . A A . 16 ASP H 1 1 2 586 1 1 17 ASP HA H 7.969 -1.952 -1.454 1.00 . A A . 16 ASP HA 1 1 2 587 1 1 17 ASP HB2 H 5.750 -2.021 -2.797 1.00 . A A . 16 ASP HB2 1 1 2 588 1 1 17 ASP HB3 H 6.122 -0.370 -3.246 1.00 . A A . 16 ASP HB3 1 1 2 589 1 1 17 ASP HD2 H 7.101 -3.598 -3.388 1.00 . A A . 16 ASP HD2 1 1 2 590 1 1 17 ASP N N 6.481 -0.892 -0.528 1.00 . A A . 16 ASP N 1 1 2 591 1 1 17 ASP O O 9.584 -0.249 -2.071 1.00 . A A . 16 ASP O 1 1 2 592 1 1 17 ASP OD1 O 7.894 -1.107 -5.026 1.00 . A A . 16 ASP OD1 1 1 2 593 1 1 17 ASP OD2 O 7.547 -3.205 -4.141 1.00 . A A . 16 ASP OD2 1 1 2 594 1 1 18 LYS C C 10.116 2.203 -0.150 1.00 . A A . 17 LYS C 1 1 2 595 1 1 18 LYS CA C 9.103 2.420 -1.341 1.00 . A A . 17 LYS CA 1 1 2 596 1 1 18 LYS CB C 8.366 3.785 -1.280 1.00 . A A . 17 LYS CB 1 1 2 597 1 1 18 LYS CD C 8.462 6.351 -1.451 1.00 . A A . 17 LYS CD 1 1 2 598 1 1 18 LYS CE C 9.314 7.628 -1.599 1.00 . A A . 17 LYS CE 1 1 2 599 1 1 18 LYS CG C 9.261 5.030 -1.471 1.00 . A A . 17 LYS CG 1 1 2 600 1 1 18 LYS H H 7.139 1.494 -1.072 1.00 . A A . 17 LYS H 1 1 2 601 1 1 18 LYS HA H 9.663 2.368 -2.285 1.00 . A A . 17 LYS HA 1 1 2 602 1 1 18 LYS HB2 H 7.588 3.813 -2.068 1.00 . A A . 17 LYS HB2 1 1 2 603 1 1 18 LYS HB3 H 7.816 3.871 -0.323 1.00 . A A . 17 LYS HB3 1 1 2 604 1 1 18 LYS HD2 H 7.676 6.334 -2.230 1.00 . A A . 17 LYS HD2 1 1 2 605 1 1 18 LYS HD3 H 7.913 6.417 -0.492 1.00 . A A . 17 LYS HD3 1 1 2 606 1 1 18 LYS HE2 H 8.690 8.510 -1.367 1.00 . A A . 17 LYS HE2 1 1 2 607 1 1 18 LYS HE3 H 10.131 7.637 -0.853 1.00 . A A . 17 LYS HE3 1 1 2 608 1 1 18 LYS HG2 H 10.032 5.061 -0.679 1.00 . A A . 17 LYS HG2 1 1 2 609 1 1 18 LYS HG3 H 9.812 4.941 -2.426 1.00 . A A . 17 LYS HG3 1 1 2 610 1 1 18 LYS HZ1 H 9.125 7.878 -3.641 1.00 . A A . 17 LYS HZ1 1 1 2 611 1 1 18 LYS HZ3 H 10.396 8.685 -3.006 1.00 . A A . 17 LYS HZ3 1 1 2 612 1 1 18 LYS N N 8.105 1.327 -1.391 1.00 . A A . 17 LYS N 1 1 2 613 1 1 18 LYS NZ N 9.880 7.800 -2.951 1.00 . A A . 17 LYS NZ 1 1 2 614 1 1 18 LYS O O 11.244 2.694 -0.243 1.00 . A A . 17 LYS O 1 1 2 615 1 1 19 VAL C C 11.558 -0.025 1.780 1.00 . A A . 18 VAL C 1 1 2 616 1 1 19 VAL CA C 10.611 1.161 2.086 1.00 . A A . 18 VAL CA 1 1 2 617 1 1 19 VAL CB C 9.857 1.060 3.449 1.00 . A A . 18 VAL CB 1 1 2 618 1 1 19 VAL CG1 C 8.794 2.154 3.701 1.00 . A A . 18 VAL CG1 1 1 2 619 1 1 19 VAL CG2 C 9.285 -0.306 3.870 1.00 . A A . 18 VAL CG2 1 1 2 620 1 1 19 VAL H H 8.879 0.918 0.841 1.00 . A A . 18 VAL H 1 1 2 621 1 1 19 VAL HA H 11.273 2.018 2.164 1.00 . A A . 18 VAL HA 1 1 2 622 1 1 19 VAL HB H 10.663 1.224 4.142 1.00 . A A . 18 VAL HB 1 1 2 623 1 1 19 VAL HG11 H 8.383 2.111 4.728 1.00 . A A . 18 VAL HG11 1 1 2 624 1 1 19 VAL HG12 H 7.941 2.046 3.008 1.00 . A A . 18 VAL HG12 1 1 2 625 1 1 19 VAL HG13 H 9.207 3.166 3.553 1.00 . A A . 18 VAL HG13 1 1 2 626 1 1 19 VAL HG21 H 10.096 -1.037 4.040 1.00 . A A . 18 VAL HG21 1 1 2 627 1 1 19 VAL HG22 H 8.704 -0.256 4.809 1.00 . A A . 18 VAL HG22 1 1 2 628 1 1 19 VAL HG23 H 8.644 -0.723 3.089 1.00 . A A . 18 VAL HG23 1 1 2 629 1 1 19 VAL N N 9.734 1.470 0.937 1.00 . A A . 18 VAL N 1 1 2 630 1 1 19 VAL O O 12.776 0.099 1.941 1.00 . A A . 18 VAL O 1 1 2 631 1 1 20 LYS C C 12.711 -2.146 -0.279 1.00 . A A . 19 LYS C 1 1 2 632 1 1 20 LYS CA C 11.743 -2.372 0.946 1.00 . A A . 19 LYS CA 1 1 2 633 1 1 20 LYS CB C 10.764 -3.548 0.656 1.00 . A A . 19 LYS CB 1 1 2 634 1 1 20 LYS CD C 10.725 -4.869 2.942 1.00 . A A . 19 LYS CD 1 1 2 635 1 1 20 LYS CE C 11.284 -6.232 2.490 1.00 . A A . 19 LYS CE 1 1 2 636 1 1 20 LYS CG C 9.945 -4.105 1.851 1.00 . A A . 19 LYS CG 1 1 2 637 1 1 20 LYS H H 9.953 -1.112 1.397 1.00 . A A . 19 LYS H 1 1 2 638 1 1 20 LYS HA H 12.364 -2.652 1.811 1.00 . A A . 19 LYS HA 1 1 2 639 1 1 20 LYS HB2 H 10.056 -3.239 -0.137 1.00 . A A . 19 LYS HB2 1 1 2 640 1 1 20 LYS HB3 H 11.319 -4.391 0.203 1.00 . A A . 19 LYS HB3 1 1 2 641 1 1 20 LYS HD2 H 11.537 -4.231 3.339 1.00 . A A . 19 LYS HD2 1 1 2 642 1 1 20 LYS HD3 H 10.039 -5.028 3.796 1.00 . A A . 19 LYS HD3 1 1 2 643 1 1 20 LYS HE2 H 10.471 -6.871 2.098 1.00 . A A . 19 LYS HE2 1 1 2 644 1 1 20 LYS HE3 H 12.006 -6.104 1.663 1.00 . A A . 19 LYS HE3 1 1 2 645 1 1 20 LYS HG2 H 9.399 -3.277 2.337 1.00 . A A . 19 LYS HG2 1 1 2 646 1 1 20 LYS HG3 H 9.149 -4.763 1.456 1.00 . A A . 19 LYS HG3 1 1 2 647 1 1 20 LYS HZ1 H 11.279 -7.128 4.350 1.00 . A A . 19 LYS HZ1 1 1 2 648 1 1 20 LYS HZ3 H 12.284 -7.854 3.285 1.00 . A A . 19 LYS HZ3 1 1 2 649 1 1 20 LYS N N 10.977 -1.159 1.344 1.00 . A A . 19 LYS N 1 1 2 650 1 1 20 LYS NZ N 11.952 -6.935 3.600 1.00 . A A . 19 LYS NZ 1 1 2 651 1 1 20 LYS O O 13.583 -2.983 -0.524 1.00 . A A . 19 LYS O 1 1 2 652 1 1 21 GLU C C 14.600 0.222 -1.712 1.00 . A A . 20 GLU C 1 1 2 653 1 1 21 GLU CA C 13.394 -0.630 -2.168 1.00 . A A . 20 GLU CA 1 1 2 654 1 1 21 GLU CB C 12.484 -0.009 -3.245 1.00 . A A . 20 GLU CB 1 1 2 655 1 1 21 GLU CD C 12.182 0.907 -5.609 1.00 . A A . 20 GLU CD 1 1 2 656 1 1 21 GLU CG C 13.164 0.338 -4.583 1.00 . A A . 20 GLU CG 1 1 2 657 1 1 21 GLU H H 11.944 -0.320 -0.596 1.00 . A A . 20 GLU H 1 1 2 658 1 1 21 GLU HA H 13.789 -1.528 -2.586 1.00 . A A . 20 GLU HA 1 1 2 659 1 1 21 GLU HB2 H 11.646 -0.704 -3.435 1.00 . A A . 20 GLU HB2 1 1 2 660 1 1 21 GLU HB3 H 12.026 0.889 -2.816 1.00 . A A . 20 GLU HB3 1 1 2 661 1 1 21 GLU HE2 H 11.873 -0.953 -6.095 1.00 . A A . 20 GLU HE2 1 1 2 662 1 1 21 GLU HG2 H 13.968 1.078 -4.412 1.00 . A A . 20 GLU HG2 1 1 2 663 1 1 21 GLU HG3 H 13.661 -0.558 -4.997 1.00 . A A . 20 GLU HG3 1 1 2 664 1 1 21 GLU N N 12.554 -1.024 -1.025 1.00 . A A . 20 GLU N 1 1 2 665 1 1 21 GLU O O 15.754 -0.192 -1.820 1.00 . A A . 20 GLU O 1 1 2 666 1 1 21 GLU OE1 O 11.968 2.111 -5.747 1.00 . A A . 20 GLU OE1 1 1 2 667 1 1 21 GLU OE2 O 11.576 -0.076 -6.349 1.00 . A A . 20 GLU OE2 1 1 2 668 1 1 22 NH2 HN1 H 14.378 1.123 -0.108 1.00 . A A . 21 NH2 HN1 1 1 2 669 1 1 22 NH2 HN2 H 13.520 1.817 -1.491 1.00 . A A . 21 NH2 HN2 1 1 2 670 1 1 22 NH2 N N 14.355 1.364 -1.101 1.00 . A A . 21 NH2 N 1 1 3 671 1 1 2 GLU C C -13.322 -3.083 -1.477 1.00 . A A . 1 ACE C 1 1 3 672 1 1 2 GLU CA C -14.195 -0.768 -1.021 1.00 . A A . 1 ACE CA 1 1 3 673 1 1 2 GLU CB C -15.488 -0.395 -0.207 1.00 . A A . 1 ACE CB 1 1 3 674 1 1 2 GLU CD C -17.092 -2.459 -0.282 1.00 . A A . 1 ACE CD 1 1 3 675 1 1 2 GLU CG C -16.836 -0.998 -0.667 1.00 . A A . 1 ACE CG 1 1 3 676 1 1 2 GLU H H -14.586 -2.662 -0.065 1.00 . A A . 1 ACE H 1 1 3 677 1 1 2 GLU HA H -14.510 -0.688 -2.075 1.00 . A A . 1 ACE HA 1 1 3 678 1 1 2 GLU HB2 H -15.326 -0.564 0.876 1.00 . A A . 1 ACE HB2 1 1 3 679 1 1 2 GLU HB3 H -15.646 0.694 -0.291 1.00 . A A . 1 ACE HB3 1 1 3 680 1 1 2 GLU HE2 H -17.585 -3.513 1.279 1.00 . A A . 1 ACE HE2 1 1 3 681 1 1 2 GLU HG2 H -17.649 -0.381 -0.243 1.00 . A A . 1 ACE HG2 1 1 3 682 1 1 2 GLU HG3 H -16.931 -0.876 -1.762 1.00 . A A . 1 ACE HG3 1 1 3 683 1 1 2 GLU N N -13.902 -2.184 -0.661 1.00 . A A . 1 ACE N 1 1 3 684 1 1 2 GLU O O -13.319 -4.260 -1.116 1.00 . A A . 1 ACE O 1 1 3 685 1 1 2 GLU OE1 O -17.006 -3.395 -1.077 1.00 . A A . 1 ACE OE1 1 1 3 686 1 1 2 GLU OE2 O -17.425 -2.597 1.042 1.00 . A A . 1 ACE OE2 1 1 3 687 1 1 3 SER C C -11.133 2.066 0.875 1.00 . A A . 2 SER C 1 1 3 688 1 1 3 SER CA C -12.205 2.496 -0.150 1.00 . A A . 2 SER CA 1 1 3 689 1 1 3 SER CB C -12.926 3.772 0.299 1.00 . A A . 2 SER CB 1 1 3 690 1 1 3 SER H H -14.230 1.657 -0.454 1.00 . A A . 2 SER H 1 1 3 691 1 1 3 SER HA H -11.714 2.761 -1.087 1.00 . A A . 2 SER HA 1 1 3 692 1 1 3 SER HB2 H -13.832 3.950 -0.297 1.00 . A A . 2 SER HB2 1 1 3 693 1 1 3 SER HB3 H -13.278 3.631 1.322 1.00 . A A . 2 SER HB3 1 1 3 694 1 1 3 SER HG H -12.591 5.650 0.545 1.00 . A A . 2 SER HG 1 1 3 695 1 1 3 SER N N -13.228 1.452 -0.447 1.00 . A A . 2 SER N 1 1 3 696 1 1 3 SER O O -9.948 2.327 0.673 1.00 . A A . 2 SER O 1 1 3 697 1 1 3 SER OG O -12.070 4.907 0.232 1.00 . A A . 2 SER OG 1 1 3 698 1 1 4 ALA C C -9.927 -0.466 2.733 1.00 . A A . 3 ALA C 1 1 3 699 1 1 4 ALA CA C -10.677 0.884 3.020 1.00 . A A . 3 ALA CA 1 1 3 700 1 1 4 ALA CB C -11.450 0.829 4.335 1.00 . A A . 3 ALA CB 1 1 3 701 1 1 4 ALA H H -12.610 1.398 1.980 1.00 . A A . 3 ALA H 1 1 3 702 1 1 4 ALA HA H -9.850 1.602 3.067 1.00 . A A . 3 ALA HA 1 1 3 703 1 1 4 ALA HB1 H -12.263 0.081 4.276 1.00 . A A . 3 ALA HB1 1 1 3 704 1 1 4 ALA HB2 H -10.784 0.544 5.167 1.00 . A A . 3 ALA HB2 1 1 3 705 1 1 4 ALA HB3 H -11.898 1.809 4.579 1.00 . A A . 3 ALA HB3 1 1 3 706 1 1 4 ALA N N -11.586 1.424 1.968 1.00 . A A . 3 ALA N 1 1 3 707 1 1 4 ALA O O -9.345 -1.114 3.606 1.00 . A A . 3 ALA O 1 1 3 708 1 1 5 LYS C C -8.862 -1.605 -0.681 1.00 . A A . 4 LYS C 1 1 3 709 1 1 5 LYS CA C -9.362 -1.978 0.782 1.00 . A A . 4 LYS CA 1 1 3 710 1 1 5 LYS CB C -10.271 -3.231 0.782 1.00 . A A . 4 LYS CB 1 1 3 711 1 1 5 LYS CD C -11.418 -5.157 2.032 1.00 . A A . 4 LYS CD 1 1 3 712 1 1 5 LYS CE C -11.671 -5.830 3.393 1.00 . A A . 4 LYS CE 1 1 3 713 1 1 5 LYS CG C -10.530 -3.903 2.147 1.00 . A A . 4 LYS CG 1 1 3 714 1 1 5 LYS H H -10.571 -0.154 0.967 1.00 . A A . 4 LYS H 1 1 3 715 1 1 5 LYS HA H -8.421 -2.122 1.332 1.00 . A A . 4 LYS HA 1 1 3 716 1 1 5 LYS HB2 H -11.231 -2.949 0.315 1.00 . A A . 4 LYS HB2 1 1 3 717 1 1 5 LYS HB3 H -9.826 -3.985 0.108 1.00 . A A . 4 LYS HB3 1 1 3 718 1 1 5 LYS HD2 H -12.384 -4.881 1.566 1.00 . A A . 4 LYS HD2 1 1 3 719 1 1 5 LYS HD3 H -10.944 -5.881 1.340 1.00 . A A . 4 LYS HD3 1 1 3 720 1 1 5 LYS HE2 H -10.715 -6.123 3.864 1.00 . A A . 4 LYS HE2 1 1 3 721 1 1 5 LYS HE3 H -12.157 -5.122 4.090 1.00 . A A . 4 LYS HE3 1 1 3 722 1 1 5 LYS HG2 H -9.562 -4.170 2.614 1.00 . A A . 4 LYS HG2 1 1 3 723 1 1 5 LYS HG3 H -11.010 -3.182 2.833 1.00 . A A . 4 LYS HG3 1 1 3 724 1 1 5 LYS HZ1 H -12.086 -7.696 2.612 1.00 . A A . 4 LYS HZ1 1 1 3 725 1 1 5 LYS HZ3 H -13.418 -6.771 2.821 1.00 . A A . 4 LYS HZ3 1 1 3 726 1 1 5 LYS N N -9.988 -0.826 1.460 1.00 . A A . 4 LYS N 1 1 3 727 1 1 5 LYS NZ N -12.523 -7.025 3.254 1.00 . A A . 4 LYS NZ 1 1 3 728 1 1 5 LYS O O -8.653 -2.460 -1.545 1.00 . A A . 4 LYS O 1 1 3 729 1 1 6 HIS C C -7.045 1.318 -1.619 1.00 . A A . 5 HIS C 1 1 3 730 1 1 6 HIS CA C -8.179 0.379 -2.121 1.00 . A A . 5 HIS CA 1 1 3 731 1 1 6 HIS CB C -9.242 1.133 -2.958 1.00 . A A . 5 HIS CB 1 1 3 732 1 1 6 HIS CD2 C -9.695 -0.826 -4.619 1.00 . A A . 5 HIS CD2 1 1 3 733 1 1 6 HIS CE1 C -11.679 -0.345 -5.129 1.00 . A A . 5 HIS CE1 1 1 3 734 1 1 6 HIS CG C -10.127 0.271 -3.850 1.00 . A A . 5 HIS CG 1 1 3 735 1 1 6 HIS H H -9.296 0.204 -0.251 1.00 . A A . 5 HIS H 1 1 3 736 1 1 6 HIS HA H -7.650 -0.378 -2.706 1.00 . A A . 5 HIS HA 1 1 3 737 1 1 6 HIS HB2 H -9.865 1.761 -2.292 1.00 . A A . 5 HIS HB2 1 1 3 738 1 1 6 HIS HB3 H -8.733 1.857 -3.624 1.00 . A A . 5 HIS HB3 1 1 3 739 1 1 6 HIS HD2 H -8.698 -1.242 -4.610 1.00 . A A . 5 HIS HD2 1 1 3 740 1 1 6 HIS HE1 H -12.639 -0.382 -5.623 1.00 . A A . 5 HIS HE1 1 1 3 741 1 1 6 HIS HE2 H -10.711 -1.998 -6.161 1.00 . A A . 5 HIS HE2 1 1 3 742 1 1 6 HIS N N -8.687 -0.295 -0.907 1.00 . A A . 5 HIS N 1 1 3 743 1 1 6 HIS ND1 N -11.436 0.615 -4.178 1.00 . A A . 5 HIS ND1 1 1 3 744 1 1 6 HIS NE2 N -10.707 -1.252 -5.456 1.00 . A A . 5 HIS NE2 1 1 3 745 1 1 6 HIS O O -5.959 1.302 -2.201 1.00 . A A . 5 HIS O 1 1 3 746 1 1 7 MET C C -5.357 2.113 0.842 1.00 . A A . 6 MET C 1 1 3 747 1 1 7 MET CA C -6.283 3.050 0.034 1.00 . A A . 6 MET CA 1 1 3 748 1 1 7 MET CB C -6.891 4.204 0.876 1.00 . A A . 6 MET CB 1 1 3 749 1 1 7 MET CE C -9.329 7.370 -0.376 1.00 . A A . 6 MET CE 1 1 3 750 1 1 7 MET CG C -8.046 4.967 0.204 1.00 . A A . 6 MET CG 1 1 3 751 1 1 7 MET H H -8.154 2.004 -0.070 1.00 . A A . 6 MET H 1 1 3 752 1 1 7 MET HA H -5.658 3.443 -0.771 1.00 . A A . 6 MET HA 1 1 3 753 1 1 7 MET HB2 H -7.248 3.831 1.855 1.00 . A A . 6 MET HB2 1 1 3 754 1 1 7 MET HB3 H -6.081 4.915 1.122 1.00 . A A . 6 MET HB3 1 1 3 755 1 1 7 MET HE1 H -9.395 8.469 -0.278 1.00 . A A . 6 MET HE1 1 1 3 756 1 1 7 MET HE2 H -10.286 6.939 -0.034 1.00 . A A . 6 MET HE2 1 1 3 757 1 1 7 MET HE3 H -9.202 7.130 -1.448 1.00 . A A . 6 MET HE3 1 1 3 758 1 1 7 MET HG2 H -8.024 4.800 -0.888 1.00 . A A . 6 MET HG2 1 1 3 759 1 1 7 MET HG3 H -9.019 4.567 0.544 1.00 . A A . 6 MET HG3 1 1 3 760 1 1 7 MET N N -7.290 2.163 -0.583 1.00 . A A . 6 MET N 1 1 3 761 1 1 7 MET O O -4.156 2.183 0.623 1.00 . A A . 6 MET O 1 1 3 762 1 1 7 MET SD S -7.950 6.732 0.596 1.00 . A A . 6 MET SD 1 1 3 763 1 1 8 PHE C C -4.366 -0.763 1.554 1.00 . A A . 7 PHE C 1 1 3 764 1 1 8 PHE CA C -5.098 0.245 2.492 1.00 . A A . 7 PHE CA 1 1 3 765 1 1 8 PHE CB C -6.046 -0.477 3.474 1.00 . A A . 7 PHE CB 1 1 3 766 1 1 8 PHE CD1 C -5.364 -0.031 5.878 1.00 . A A . 7 PHE CD1 1 1 3 767 1 1 8 PHE CD2 C -7.239 1.192 4.971 1.00 . A A . 7 PHE CD2 1 1 3 768 1 1 8 PHE CE1 C -5.509 0.646 7.084 1.00 . A A . 7 PHE CE1 1 1 3 769 1 1 8 PHE CE2 C -7.385 1.866 6.176 1.00 . A A . 7 PHE CE2 1 1 3 770 1 1 8 PHE CG C -6.228 0.239 4.814 1.00 . A A . 7 PHE CG 1 1 3 771 1 1 8 PHE CZ C -6.520 1.595 7.236 1.00 . A A . 7 PHE CZ 1 1 3 772 1 1 8 PHE H H -6.901 1.132 1.666 1.00 . A A . 7 PHE H 1 1 3 773 1 1 8 PHE HA H -4.327 0.800 3.031 1.00 . A A . 7 PHE HA 1 1 3 774 1 1 8 PHE HB2 H -7.017 -0.570 2.980 1.00 . A A . 7 PHE HB2 1 1 3 775 1 1 8 PHE HB3 H -5.748 -1.530 3.639 1.00 . A A . 7 PHE HB3 1 1 3 776 1 1 8 PHE HD1 H -4.570 -0.758 5.772 1.00 . A A . 7 PHE HD1 1 1 3 777 1 1 8 PHE HD2 H -7.907 1.424 4.154 1.00 . A A . 7 PHE HD2 1 1 3 778 1 1 8 PHE HE1 H -4.825 0.430 7.888 1.00 . A A . 7 PHE HE1 1 1 3 779 1 1 8 PHE HE2 H -8.166 2.604 6.266 1.00 . A A . 7 PHE HE2 1 1 3 780 1 1 8 PHE HZ H -6.630 2.123 8.172 1.00 . A A . 7 PHE HZ 1 1 3 781 1 1 8 PHE N N -5.888 1.237 1.724 1.00 . A A . 7 PHE N 1 1 3 782 1 1 8 PHE O O -3.268 -1.203 1.900 1.00 . A A . 7 PHE O 1 1 3 783 1 1 9 ASP C C -3.073 -1.323 -1.199 1.00 . A A . 8 ASP C 1 1 3 784 1 1 9 ASP CA C -4.330 -2.036 -0.606 1.00 . A A . 8 ASP CA 1 1 3 785 1 1 9 ASP CB C -5.344 -2.394 -1.717 1.00 . A A . 8 ASP CB 1 1 3 786 1 1 9 ASP CG C -4.919 -3.539 -2.647 1.00 . A A . 8 ASP CG 1 1 3 787 1 1 9 ASP H H -5.972 -0.869 0.394 1.00 . A A . 8 ASP H 1 1 3 788 1 1 9 ASP HA H -4.074 -2.991 -0.105 1.00 . A A . 8 ASP HA 1 1 3 789 1 1 9 ASP HB2 H -6.281 -2.684 -1.233 1.00 . A A . 8 ASP HB2 1 1 3 790 1 1 9 ASP HB3 H -5.609 -1.503 -2.317 1.00 . A A . 8 ASP HB3 1 1 3 791 1 1 9 ASP HD2 H -4.031 -3.802 -4.360 1.00 . A A . 8 ASP HD2 1 1 3 792 1 1 9 ASP N N -4.972 -1.129 0.395 1.00 . A A . 8 ASP N 1 1 3 793 1 1 9 ASP O O -1.991 -1.913 -1.222 1.00 . A A . 8 ASP O 1 1 3 794 1 1 9 ASP OD1 O -5.117 -4.727 -2.394 1.00 . A A . 8 ASP OD1 1 1 3 795 1 1 9 ASP OD2 O -4.296 -3.083 -3.781 1.00 . A A . 8 ASP OD2 1 1 3 796 1 1 10 ARG C C -1.094 1.055 -1.102 1.00 . A A . 9 ARG C 1 1 3 797 1 1 10 ARG CA C -2.158 0.797 -2.188 1.00 . A A . 9 ARG CA 1 1 3 798 1 1 10 ARG CB C -2.683 2.122 -2.784 1.00 . A A . 9 ARG CB 1 1 3 799 1 1 10 ARG CD C -4.082 3.279 -4.606 1.00 . A A . 9 ARG CD 1 1 3 800 1 1 10 ARG CG C -3.416 1.971 -4.136 1.00 . A A . 9 ARG CG 1 1 3 801 1 1 10 ARG CZ C -5.455 4.049 -6.556 1.00 . A A . 9 ARG CZ 1 1 3 802 1 1 10 ARG H H -4.226 0.272 -1.565 1.00 . A A . 9 ARG H 1 1 3 803 1 1 10 ARG HA H -1.658 0.206 -2.956 1.00 . A A . 9 ARG HA 1 1 3 804 1 1 10 ARG HB2 H -3.337 2.625 -2.046 1.00 . A A . 9 ARG HB2 1 1 3 805 1 1 10 ARG HB3 H -1.831 2.813 -2.930 1.00 . A A . 9 ARG HB3 1 1 3 806 1 1 10 ARG HD2 H -4.807 3.626 -3.844 1.00 . A A . 9 ARG HD2 1 1 3 807 1 1 10 ARG HD3 H -3.321 4.077 -4.702 1.00 . A A . 9 ARG HD3 1 1 3 808 1 1 10 ARG HG2 H -2.697 1.617 -4.899 1.00 . A A . 9 ARG HG2 1 1 3 809 1 1 10 ARG HG3 H -4.182 1.177 -4.060 1.00 . A A . 9 ARG HG3 1 1 3 810 1 1 10 ARG HH11 H -5.139 5.518 -5.217 1.00 . A A . 9 ARG HH11 1 1 3 811 1 1 10 ARG HH12 H -6.132 5.939 -6.702 1.00 . A A . 9 ARG HH12 1 1 3 812 1 1 10 ARG HH21 H -5.906 2.768 -8.028 1.00 . A A . 9 ARG HH21 1 1 3 813 1 1 10 ARG HH22 H -6.536 4.485 -8.185 1.00 . A A . 9 ARG HH22 1 1 3 814 1 1 10 ARG N N -3.251 -0.054 -1.650 1.00 . A A . 9 ARG N 1 1 3 815 1 1 10 ARG NE N -4.774 3.088 -5.903 1.00 . A A . 9 ARG NE 1 1 3 816 1 1 10 ARG NH1 N -5.590 5.298 -6.112 1.00 . A A . 9 ARG NH1 1 1 3 817 1 1 10 ARG NH2 N -6.023 3.736 -7.706 1.00 . A A . 9 ARG NH2 1 1 3 818 1 1 10 ARG O O 0.060 0.680 -1.301 1.00 . A A . 9 ARG O 1 1 3 819 1 1 11 ILE C C 0.283 0.641 1.609 1.00 . A A . 10 ILE C 1 1 3 820 1 1 11 ILE CA C -0.584 1.888 1.224 1.00 . A A . 10 ILE CA 1 1 3 821 1 1 11 ILE CB C -1.511 2.453 2.345 1.00 . A A . 10 ILE CB 1 1 3 822 1 1 11 ILE CD1 C -3.181 4.397 2.766 1.00 . A A . 10 ILE CD1 1 1 3 823 1 1 11 ILE CG1 C -1.951 3.904 2.009 1.00 . A A . 10 ILE CG1 1 1 3 824 1 1 11 ILE CG2 C -0.997 2.339 3.790 1.00 . A A . 10 ILE CG2 1 1 3 825 1 1 11 ILE H H -2.486 1.879 0.140 1.00 . A A . 10 ILE H 1 1 3 826 1 1 11 ILE HA H 0.109 2.678 0.922 1.00 . A A . 10 ILE HA 1 1 3 827 1 1 11 ILE HB H -2.398 1.816 2.338 1.00 . A A . 10 ILE HB 1 1 3 828 1 1 11 ILE HD11 H -3.555 5.331 2.314 1.00 . A A . 10 ILE HD11 1 1 3 829 1 1 11 ILE HD12 H -2.952 4.574 3.828 1.00 . A A . 10 ILE HD12 1 1 3 830 1 1 11 ILE HD13 H -3.996 3.654 2.715 1.00 . A A . 10 ILE HD13 1 1 3 831 1 1 11 ILE HG12 H -1.098 4.589 2.131 1.00 . A A . 10 ILE HG12 1 1 3 832 1 1 11 ILE HG13 H -2.215 3.967 0.940 1.00 . A A . 10 ILE HG13 1 1 3 833 1 1 11 ILE HG21 H -0.810 1.281 4.050 1.00 . A A . 10 ILE HG21 1 1 3 834 1 1 11 ILE HG22 H -0.067 2.912 3.936 1.00 . A A . 10 ILE HG22 1 1 3 835 1 1 11 ILE HG23 H -1.758 2.694 4.508 1.00 . A A . 10 ILE HG23 1 1 3 836 1 1 11 ILE N N -1.482 1.631 0.051 1.00 . A A . 10 ILE N 1 1 3 837 1 1 11 ILE O O 1.483 0.769 1.865 1.00 . A A . 10 ILE O 1 1 3 838 1 1 12 GLY C C 1.418 -2.282 0.924 1.00 . A A . 11 GLY C 1 1 3 839 1 1 12 GLY CA C 0.287 -1.839 1.894 1.00 . A A . 11 GLY CA 1 1 3 840 1 1 12 GLY H H -1.375 -0.431 1.477 1.00 . A A . 11 GLY H 1 1 3 841 1 1 12 GLY HA2 H 0.686 -1.796 2.919 1.00 . A A . 11 GLY HA2 1 1 3 842 1 1 12 GLY HA3 H -0.492 -2.613 1.845 1.00 . A A . 11 GLY HA3 1 1 3 843 1 1 12 GLY N N -0.365 -0.540 1.624 1.00 . A A . 11 GLY N 1 1 3 844 1 1 12 GLY O O 2.177 -3.193 1.255 1.00 . A A . 11 GLY O 1 1 3 845 1 1 13 LYS C C 2.838 -0.606 -2.117 1.00 . A A . 12 LYS C 1 1 3 846 1 1 13 LYS CA C 2.470 -1.919 -1.335 1.00 . A A . 12 LYS CA 1 1 3 847 1 1 13 LYS CB C 2.153 -3.159 -2.221 1.00 . A A . 12 LYS CB 1 1 3 848 1 1 13 LYS CD C 0.567 -4.368 -3.863 1.00 . A A . 12 LYS CD 1 1 3 849 1 1 13 LYS CE C -0.784 -4.307 -4.600 1.00 . A A . 12 LYS CE 1 1 3 850 1 1 13 LYS CG C 0.843 -3.094 -3.043 1.00 . A A . 12 LYS CG 1 1 3 851 1 1 13 LYS H H 0.593 -1.158 -0.466 1.00 . A A . 12 LYS H 1 1 3 852 1 1 13 LYS HA H 3.413 -2.091 -0.790 1.00 . A A . 12 LYS HA 1 1 3 853 1 1 13 LYS HB2 H 3.003 -3.334 -2.907 1.00 . A A . 12 LYS HB2 1 1 3 854 1 1 13 LYS HB3 H 2.128 -4.057 -1.575 1.00 . A A . 12 LYS HB3 1 1 3 855 1 1 13 LYS HD2 H 1.388 -4.524 -4.588 1.00 . A A . 12 LYS HD2 1 1 3 856 1 1 13 LYS HD3 H 0.583 -5.248 -3.191 1.00 . A A . 12 LYS HD3 1 1 3 857 1 1 13 LYS HE2 H -1.612 -4.160 -3.881 1.00 . A A . 12 LYS HE2 1 1 3 858 1 1 13 LYS HE3 H -0.812 -3.440 -5.286 1.00 . A A . 12 LYS HE3 1 1 3 859 1 1 13 LYS HG2 H -0.004 -2.921 -2.356 1.00 . A A . 12 LYS HG2 1 1 3 860 1 1 13 LYS HG3 H 0.866 -2.217 -3.717 1.00 . A A . 12 LYS HG3 1 1 3 861 1 1 13 LYS HZ1 H -1.924 -5.459 -5.879 1.00 . A A . 12 LYS HZ1 1 1 3 862 1 1 13 LYS HZ3 H -0.315 -5.653 -6.093 1.00 . A A . 12 LYS HZ3 1 1 3 863 1 1 13 LYS N N 1.445 -1.697 -0.286 1.00 . A A . 12 LYS N 1 1 3 864 1 1 13 LYS NZ N -1.035 -5.537 -5.372 1.00 . A A . 12 LYS NZ 1 1 3 865 1 1 13 LYS O O 3.047 -0.608 -3.334 1.00 . A A . 12 LYS O 1 1 3 866 1 1 14 ASP C C 4.416 2.269 -0.846 1.00 . A A . 13 ASP C 1 1 3 867 1 1 14 ASP CA C 3.358 1.853 -1.852 1.00 . A A . 13 ASP CA 1 1 3 868 1 1 14 ASP CB C 2.188 2.823 -2.020 1.00 . A A . 13 ASP CB 1 1 3 869 1 1 14 ASP CG C 2.478 4.049 -2.890 1.00 . A A . 13 ASP CG 1 1 3 870 1 1 14 ASP H H 2.560 0.452 -0.424 1.00 . A A . 13 ASP H 1 1 3 871 1 1 14 ASP HA H 3.920 1.748 -2.766 1.00 . A A . 13 ASP HA 1 1 3 872 1 1 14 ASP HB2 H 1.325 2.271 -2.398 1.00 . A A . 13 ASP HB2 1 1 3 873 1 1 14 ASP HB3 H 1.883 3.142 -1.023 1.00 . A A . 13 ASP HB3 1 1 3 874 1 1 14 ASP HD2 H 1.918 2.918 -4.371 1.00 . A A . 13 ASP HD2 1 1 3 875 1 1 14 ASP N N 2.966 0.508 -1.368 1.00 . A A . 13 ASP N 1 1 3 876 1 1 14 ASP O O 5.549 2.506 -1.268 1.00 . A A . 13 ASP O 1 1 3 877 1 1 14 ASP OD1 O 2.888 5.118 -2.438 1.00 . A A . 13 ASP OD1 1 1 3 878 1 1 14 ASP OD2 O 2.231 3.812 -4.218 1.00 . A A . 13 ASP OD2 1 1 3 879 1 1 15 VAL C C 5.350 1.509 2.369 1.00 . A A . 14 VAL C 1 1 3 880 1 1 15 VAL CA C 5.054 2.778 1.485 1.00 . A A . 14 VAL CA 1 1 3 881 1 1 15 VAL CB C 4.809 4.101 2.219 1.00 . A A . 14 VAL CB 1 1 3 882 1 1 15 VAL CG1 C 4.795 5.260 1.211 1.00 . A A . 14 VAL CG1 1 1 3 883 1 1 15 VAL CG2 C 3.539 4.079 3.087 1.00 . A A . 14 VAL CG2 1 1 3 884 1 1 15 VAL H H 3.126 2.090 0.673 1.00 . A A . 14 VAL H 1 1 3 885 1 1 15 VAL HA H 6.014 2.904 0.959 1.00 . A A . 14 VAL HA 1 1 3 886 1 1 15 VAL HB H 5.703 4.235 2.850 1.00 . A A . 14 VAL HB 1 1 3 887 1 1 15 VAL HG11 H 4.755 6.234 1.718 1.00 . A A . 14 VAL HG11 1 1 3 888 1 1 15 VAL HG12 H 3.926 5.176 0.528 1.00 . A A . 14 VAL HG12 1 1 3 889 1 1 15 VAL HG13 H 5.702 5.225 0.577 1.00 . A A . 14 VAL HG13 1 1 3 890 1 1 15 VAL HG21 H 3.405 5.027 3.630 1.00 . A A . 14 VAL HG21 1 1 3 891 1 1 15 VAL HG22 H 3.582 3.266 3.835 1.00 . A A . 14 VAL HG22 1 1 3 892 1 1 15 VAL HG23 H 2.639 3.898 2.470 1.00 . A A . 14 VAL HG23 1 1 3 893 1 1 15 VAL N N 4.043 2.460 0.438 1.00 . A A . 14 VAL N 1 1 3 894 1 1 15 VAL O O 5.391 1.457 3.600 1.00 . A A . 14 VAL O 1 1 3 895 1 1 16 TYR C C 6.883 -1.177 0.555 1.00 . A A . 15 TYR C 1 1 3 896 1 1 16 TYR CA C 5.988 -0.875 1.800 1.00 . A A . 15 TYR CA 1 1 3 897 1 1 16 TYR CB C 4.834 -1.861 2.047 1.00 . A A . 15 TYR CB 1 1 3 898 1 1 16 TYR CD1 C 5.883 -3.708 3.449 1.00 . A A . 15 TYR CD1 1 1 3 899 1 1 16 TYR CD2 C 5.330 -4.196 1.148 1.00 . A A . 15 TYR CD2 1 1 3 900 1 1 16 TYR CE1 C 6.457 -4.970 3.578 1.00 . A A . 15 TYR CE1 1 1 3 901 1 1 16 TYR CE2 C 5.908 -5.456 1.279 1.00 . A A . 15 TYR CE2 1 1 3 902 1 1 16 TYR CG C 5.315 -3.312 2.234 1.00 . A A . 15 TYR CG 1 1 3 903 1 1 16 TYR CZ C 6.471 -5.845 2.493 1.00 . A A . 15 TYR CZ 1 1 3 904 1 1 16 TYR H H 5.179 0.818 0.632 1.00 . A A . 15 TYR H 1 1 3 905 1 1 16 TYR HA H 6.632 -0.846 2.688 1.00 . A A . 15 TYR HA 1 1 3 906 1 1 16 TYR HB2 H 4.246 -1.542 2.929 1.00 . A A . 15 TYR HB2 1 1 3 907 1 1 16 TYR HB3 H 4.138 -1.781 1.201 1.00 . A A . 15 TYR HB3 1 1 3 908 1 1 16 TYR HD1 H 5.929 -3.017 4.278 1.00 . A A . 15 TYR HD1 1 1 3 909 1 1 16 TYR HD2 H 4.948 -3.891 0.183 1.00 . A A . 15 TYR HD2 1 1 3 910 1 1 16 TYR HE1 H 6.916 -5.248 4.516 1.00 . A A . 15 TYR HE1 1 1 3 911 1 1 16 TYR HE2 H 5.940 -6.115 0.424 1.00 . A A . 15 TYR HE2 1 1 3 912 1 1 16 TYR HH H 6.997 -7.537 1.772 1.00 . A A . 15 TYR HH 1 1 3 913 1 1 16 TYR N N 5.600 0.512 1.541 1.00 . A A . 15 TYR N 1 1 3 914 1 1 16 TYR O O 7.947 -1.762 0.751 1.00 . A A . 15 TYR O 1 1 3 915 1 1 16 TYR OH O 7.068 -7.075 2.610 1.00 . A A . 15 TYR OH 1 1 3 916 1 1 17 ASP C C 8.439 -0.014 -1.891 1.00 . A A . 16 ASP C 1 1 3 917 1 1 17 ASP CA C 7.292 -1.072 -1.912 1.00 . A A . 16 ASP CA 1 1 3 918 1 1 17 ASP CB C 6.445 -1.145 -3.190 1.00 . A A . 16 ASP CB 1 1 3 919 1 1 17 ASP CG C 7.203 -1.578 -4.452 1.00 . A A . 16 ASP CG 1 1 3 920 1 1 17 ASP H H 5.613 -0.277 -0.717 1.00 . A A . 16 ASP H 1 1 3 921 1 1 17 ASP HA H 7.780 -2.024 -1.775 1.00 . A A . 16 ASP HA 1 1 3 922 1 1 17 ASP HB2 H 5.595 -1.839 -3.047 1.00 . A A . 16 ASP HB2 1 1 3 923 1 1 17 ASP HB3 H 5.998 -0.160 -3.335 1.00 . A A . 16 ASP HB3 1 1 3 924 1 1 17 ASP HD2 H 7.472 0.329 -4.740 1.00 . A A . 16 ASP HD2 1 1 3 925 1 1 17 ASP N N 6.450 -0.875 -0.708 1.00 . A A . 16 ASP N 1 1 3 926 1 1 17 ASP O O 9.585 -0.390 -2.153 1.00 . A A . 16 ASP O 1 1 3 927 1 1 17 ASP OD1 O 7.353 -2.754 -4.781 1.00 . A A . 16 ASP OD1 1 1 3 928 1 1 17 ASP OD2 O 7.691 -0.508 -5.158 1.00 . A A . 16 ASP OD2 1 1 3 929 1 1 18 LYS C C 10.072 2.106 -0.170 1.00 . A A . 17 LYS C 1 1 3 930 1 1 18 LYS CA C 9.199 2.327 -1.481 1.00 . A A . 17 LYS CA 1 1 3 931 1 1 18 LYS CB C 8.519 3.722 -1.526 1.00 . A A . 17 LYS CB 1 1 3 932 1 1 18 LYS CD C 8.743 6.273 -1.790 1.00 . A A . 17 LYS CD 1 1 3 933 1 1 18 LYS CE C 9.661 7.505 -1.922 1.00 . A A . 17 LYS CE 1 1 3 934 1 1 18 LYS CG C 9.481 4.919 -1.697 1.00 . A A . 17 LYS CG 1 1 3 935 1 1 18 LYS H H 7.198 1.480 -1.256 1.00 . A A . 17 LYS H 1 1 3 936 1 1 18 LYS HA H 9.837 2.228 -2.368 1.00 . A A . 17 LYS HA 1 1 3 937 1 1 18 LYS HB2 H 7.800 3.752 -2.369 1.00 . A A . 17 LYS HB2 1 1 3 938 1 1 18 LYS HB3 H 7.906 3.870 -0.616 1.00 . A A . 17 LYS HB3 1 1 3 939 1 1 18 LYS HD2 H 8.018 6.255 -2.626 1.00 . A A . 17 LYS HD2 1 1 3 940 1 1 18 LYS HD3 H 8.128 6.403 -0.880 1.00 . A A . 17 LYS HD3 1 1 3 941 1 1 18 LYS HE2 H 9.062 8.422 -1.775 1.00 . A A . 17 LYS HE2 1 1 3 942 1 1 18 LYS HE3 H 10.419 7.511 -1.117 1.00 . A A . 17 LYS HE3 1 1 3 943 1 1 18 LYS HG2 H 10.192 4.952 -0.850 1.00 . A A . 17 LYS HG2 1 1 3 944 1 1 18 LYS HG3 H 10.098 4.767 -2.603 1.00 . A A . 17 LYS HG3 1 1 3 945 1 1 18 LYS HZ1 H 10.902 6.756 -3.396 1.00 . A A . 17 LYS HZ1 1 1 3 946 1 1 18 LYS HZ3 H 9.637 7.608 -3.986 1.00 . A A . 17 LYS HZ3 1 1 3 947 1 1 18 LYS N N 8.149 1.283 -1.600 1.00 . A A . 17 LYS N 1 1 3 948 1 1 18 LYS NZ N 10.334 7.595 -3.233 1.00 . A A . 17 LYS NZ 1 1 3 949 1 1 18 LYS O O 11.187 2.626 -0.082 1.00 . A A . 17 LYS O 1 1 3 950 1 1 19 VAL C C 11.231 -0.201 1.863 1.00 . A A . 18 VAL C 1 1 3 951 1 1 19 VAL CA C 10.234 0.966 2.092 1.00 . A A . 18 VAL CA 1 1 3 952 1 1 19 VAL CB C 9.216 0.807 3.273 1.00 . A A . 18 VAL CB 1 1 3 953 1 1 19 VAL CG1 C 9.726 0.086 4.525 1.00 . A A . 18 VAL CG1 1 1 3 954 1 1 19 VAL CG2 C 8.557 2.138 3.684 1.00 . A A . 18 VAL CG2 1 1 3 955 1 1 19 VAL H H 8.803 0.741 0.444 1.00 . A A . 18 VAL H 1 1 3 956 1 1 19 VAL HA H 10.852 1.807 2.324 1.00 . A A . 18 VAL HA 1 1 3 957 1 1 19 VAL HB H 8.417 0.157 2.946 1.00 . A A . 18 VAL HB 1 1 3 958 1 1 19 VAL HG11 H 8.917 -0.018 5.272 1.00 . A A . 18 VAL HG11 1 1 3 959 1 1 19 VAL HG12 H 10.577 0.616 4.981 1.00 . A A . 18 VAL HG12 1 1 3 960 1 1 19 VAL HG13 H 10.042 -0.943 4.270 1.00 . A A . 18 VAL HG13 1 1 3 961 1 1 19 VAL HG21 H 8.033 2.605 2.830 1.00 . A A . 18 VAL HG21 1 1 3 962 1 1 19 VAL HG22 H 9.293 2.863 4.069 1.00 . A A . 18 VAL HG22 1 1 3 963 1 1 19 VAL HG23 H 7.793 1.982 4.469 1.00 . A A . 18 VAL HG23 1 1 3 964 1 1 19 VAL N N 9.554 1.328 0.821 1.00 . A A . 18 VAL N 1 1 3 965 1 1 19 VAL O O 12.407 -0.066 2.217 1.00 . A A . 18 VAL O 1 1 3 966 1 1 20 LYS C C 12.737 -2.193 -0.118 1.00 . A A . 19 LYS C 1 1 3 967 1 1 20 LYS CA C 11.627 -2.495 0.964 1.00 . A A . 19 LYS CA 1 1 3 968 1 1 20 LYS CB C 10.668 -3.640 0.530 1.00 . A A . 19 LYS CB 1 1 3 969 1 1 20 LYS CD C 10.232 -6.147 0.177 1.00 . A A . 19 LYS CD 1 1 3 970 1 1 20 LYS CE C 10.779 -7.588 0.151 1.00 . A A . 19 LYS CE 1 1 3 971 1 1 20 LYS CG C 11.277 -5.059 0.513 1.00 . A A . 19 LYS CG 1 1 3 972 1 1 20 LYS H H 9.776 -1.316 1.048 1.00 . A A . 19 LYS H 1 1 3 973 1 1 20 LYS HA H 12.116 -2.796 1.903 1.00 . A A . 19 LYS HA 1 1 3 974 1 1 20 LYS HB2 H 9.800 -3.673 1.218 1.00 . A A . 19 LYS HB2 1 1 3 975 1 1 20 LYS HB3 H 10.239 -3.406 -0.465 1.00 . A A . 19 LYS HB3 1 1 3 976 1 1 20 LYS HD2 H 9.377 -6.086 0.879 1.00 . A A . 19 LYS HD2 1 1 3 977 1 1 20 LYS HD3 H 9.802 -5.926 -0.818 1.00 . A A . 19 LYS HD3 1 1 3 978 1 1 20 LYS HE2 H 10.023 -8.255 -0.303 1.00 . A A . 19 LYS HE2 1 1 3 979 1 1 20 LYS HE3 H 11.667 -7.655 -0.504 1.00 . A A . 19 LYS HE3 1 1 3 980 1 1 20 LYS HG2 H 12.104 -5.106 -0.219 1.00 . A A . 19 LYS HG2 1 1 3 981 1 1 20 LYS HG3 H 11.732 -5.272 1.499 1.00 . A A . 19 LYS HG3 1 1 3 982 1 1 20 LYS HZ1 H 11.865 -7.549 1.909 1.00 . A A . 19 LYS HZ1 1 1 3 983 1 1 20 LYS HZ3 H 11.489 -9.061 1.415 1.00 . A A . 19 LYS HZ3 1 1 3 984 1 1 20 LYS N N 10.768 -1.329 1.294 1.00 . A A . 19 LYS N 1 1 3 985 1 1 20 LYS NZ N 11.113 -8.109 1.491 1.00 . A A . 19 LYS NZ 1 1 3 986 1 1 20 LYS O O 13.669 -2.987 -0.269 1.00 . A A . 19 LYS O 1 1 3 987 1 1 21 GLU C C 14.742 0.235 -1.224 1.00 . A A . 20 GLU C 1 1 3 988 1 1 21 GLU CA C 13.604 -0.597 -1.856 1.00 . A A . 20 GLU CA 1 1 3 989 1 1 21 GLU CB C 12.816 0.078 -2.997 1.00 . A A . 20 GLU CB 1 1 3 990 1 1 21 GLU CD C 12.776 1.093 -5.342 1.00 . A A . 20 GLU CD 1 1 3 991 1 1 21 GLU CG C 13.637 0.469 -4.242 1.00 . A A . 20 GLU CG 1 1 3 992 1 1 21 GLU H H 11.993 -0.359 -0.448 1.00 . A A . 20 GLU H 1 1 3 993 1 1 21 GLU HA H 14.053 -1.473 -2.268 1.00 . A A . 20 GLU HA 1 1 3 994 1 1 21 GLU HB2 H 11.984 -0.584 -3.302 1.00 . A A . 20 GLU HB2 1 1 3 995 1 1 21 GLU HB3 H 12.340 0.969 -2.578 1.00 . A A . 20 GLU HB3 1 1 3 996 1 1 21 GLU HE2 H 12.079 2.833 -5.869 1.00 . A A . 20 GLU HE2 1 1 3 997 1 1 21 GLU HG2 H 14.439 1.178 -3.960 1.00 . A A . 20 GLU HG2 1 1 3 998 1 1 21 GLU HG3 H 14.151 -0.421 -4.647 1.00 . A A . 20 GLU HG3 1 1 3 999 1 1 21 GLU N N 12.636 -1.052 -0.844 1.00 . A A . 20 GLU N 1 1 3 1000 1 1 21 GLU O O 15.907 -0.165 -1.228 1.00 . A A . 20 GLU O 1 1 3 1001 1 1 21 GLU OE1 O 12.283 0.445 -6.266 1.00 . A A . 20 GLU OE1 1 1 3 1002 1 1 21 GLU OE2 O 12.620 2.446 -5.177 1.00 . A A . 20 GLU OE2 1 1 3 1003 1 1 22 NH2 HN1 H 14.352 1.044 0.397 1.00 . A A . 21 NH2 HN1 1 1 3 1004 1 1 22 NH2 HN2 H 13.619 1.803 -1.025 1.00 . A A . 21 NH2 HN2 1 1 3 1005 1 1 22 NH2 N N 14.419 1.338 -0.579 1.00 . A A . 21 NH2 N 1 1 4 1006 1 1 2 GLU C C -13.055 -2.641 -1.980 1.00 . A A . 1 ACE C 1 1 4 1007 1 1 2 GLU CA C -14.095 -0.561 -1.093 1.00 . A A . 1 ACE CA 1 1 4 1008 1 1 2 GLU CB C -15.329 -0.347 -0.154 1.00 . A A . 1 ACE CB 1 1 4 1009 1 1 2 GLU CD C -16.862 -2.452 -0.301 1.00 . A A . 1 ACE CD 1 1 4 1010 1 1 2 GLU CG C -16.686 -0.952 -0.569 1.00 . A A . 1 ACE CG 1 1 4 1011 1 1 2 GLU H H -14.392 -2.626 -0.525 1.00 . A A . 1 ACE H 1 1 4 1012 1 1 2 GLU HA H -14.455 -0.327 -2.112 1.00 . A A . 1 ACE HA 1 1 4 1013 1 1 2 GLU HB2 H -15.067 -0.603 0.890 1.00 . A A . 1 ACE HB2 1 1 4 1014 1 1 2 GLU HB3 H -15.535 0.731 -0.106 1.00 . A A . 1 ACE HB3 1 1 4 1015 1 1 2 GLU HE2 H -16.904 -4.135 -1.279 1.00 . A A . 1 ACE HE2 1 1 4 1016 1 1 2 GLU HG2 H -17.476 -0.415 -0.013 1.00 . A A . 1 ACE HG2 1 1 4 1017 1 1 2 GLU HG3 H -16.875 -0.714 -1.632 1.00 . A A . 1 ACE HG3 1 1 4 1018 1 1 2 GLU N N -13.745 -2.004 -1.019 1.00 . A A . 1 ACE N 1 1 4 1019 1 1 2 GLU O O -12.494 -2.074 -2.921 1.00 . A A . 1 ACE O 1 1 4 1020 1 1 2 GLU OE1 O -17.044 -2.923 0.821 1.00 . A A . 1 ACE OE1 1 1 4 1021 1 1 2 GLU OE2 O -16.793 -3.197 -1.451 1.00 . A A . 1 ACE OE2 1 1 4 1022 1 1 3 SER C C -11.063 2.171 1.015 1.00 . A A . 2 SER C 1 1 4 1023 1 1 3 SER CA C -12.120 2.640 -0.001 1.00 . A A . 2 SER CA 1 1 4 1024 1 1 3 SER CB C -12.823 3.921 0.462 1.00 . A A . 2 SER CB 1 1 4 1025 1 1 3 SER H H -14.155 1.822 -0.319 1.00 . A A . 2 SER H 1 1 4 1026 1 1 3 SER HA H -11.617 2.911 -0.929 1.00 . A A . 2 SER HA 1 1 4 1027 1 1 3 SER HB2 H -13.720 4.126 -0.140 1.00 . A A . 2 SER HB2 1 1 4 1028 1 1 3 SER HB3 H -13.188 3.769 1.478 1.00 . A A . 2 SER HB3 1 1 4 1029 1 1 3 SER HG H -12.457 5.788 0.744 1.00 . A A . 2 SER HG 1 1 4 1030 1 1 3 SER N N -13.153 1.617 -0.334 1.00 . A A . 2 SER N 1 1 4 1031 1 1 3 SER O O -9.869 2.385 0.802 1.00 . A A . 2 SER O 1 1 4 1032 1 1 3 SER OG O -11.946 5.041 0.424 1.00 . A A . 2 SER OG 1 1 4 1033 1 1 4 ALA C C -9.928 -0.394 2.867 1.00 . A A . 3 ALA C 1 1 4 1034 1 1 4 ALA CA C -10.629 0.978 3.149 1.00 . A A . 3 ALA CA 1 1 4 1035 1 1 4 ALA CB C -11.383 0.964 4.477 1.00 . A A . 3 ALA CB 1 1 4 1036 1 1 4 ALA H H -12.555 1.540 2.122 1.00 . A A . 3 ALA H 1 1 4 1037 1 1 4 ALA HA H -9.776 1.665 3.174 1.00 . A A . 3 ALA HA 1 1 4 1038 1 1 4 ALA HB1 H -12.223 0.244 4.437 1.00 . A A . 3 ALA HB1 1 1 4 1039 1 1 4 ALA HB2 H -11.791 1.961 4.717 1.00 . A A . 3 ALA HB2 1 1 4 1040 1 1 4 ALA HB3 H -10.715 0.662 5.302 1.00 . A A . 3 ALA HB3 1 1 4 1041 1 1 4 ALA N N -11.531 1.546 2.108 1.00 . A A . 3 ALA N 1 1 4 1042 1 1 4 ALA O O -9.341 -1.041 3.738 1.00 . A A . 3 ALA O 1 1 4 1043 1 1 5 LYS C C -8.949 -1.656 -0.522 1.00 . A A . 4 LYS C 1 1 4 1044 1 1 5 LYS CA C -9.450 -1.966 0.950 1.00 . A A . 4 LYS CA 1 1 4 1045 1 1 5 LYS CB C -10.414 -3.176 0.983 1.00 . A A . 4 LYS CB 1 1 4 1046 1 1 5 LYS CD C -11.616 -5.040 2.283 1.00 . A A . 4 LYS CD 1 1 4 1047 1 1 5 LYS CE C -11.885 -5.741 3.630 1.00 . A A . 4 LYS CE 1 1 4 1048 1 1 5 LYS CG C -10.681 -3.814 2.363 1.00 . A A . 4 LYS CG 1 1 4 1049 1 1 5 LYS H H -10.610 -0.104 1.108 1.00 . A A . 4 LYS H 1 1 4 1050 1 1 5 LYS HA H -8.509 -2.128 1.498 1.00 . A A . 4 LYS HA 1 1 4 1051 1 1 5 LYS HB2 H -11.369 -2.862 0.521 1.00 . A A . 4 LYS HB2 1 1 4 1052 1 1 5 LYS HB3 H -10.011 -3.961 0.318 1.00 . A A . 4 LYS HB3 1 1 4 1053 1 1 5 LYS HD2 H -12.576 -4.756 1.810 1.00 . A A . 4 LYS HD2 1 1 4 1054 1 1 5 LYS HD3 H -11.167 -5.783 1.596 1.00 . A A . 4 LYS HD3 1 1 4 1055 1 1 5 LYS HE2 H -12.385 -6.709 3.442 1.00 . A A . 4 LYS HE2 1 1 4 1056 1 1 5 LYS HE3 H -10.932 -5.991 4.133 1.00 . A A . 4 LYS HE3 1 1 4 1057 1 1 5 LYS HG2 H -9.719 -4.108 2.824 1.00 . A A . 4 LYS HG2 1 1 4 1058 1 1 5 LYS HG3 H -11.124 -3.062 3.041 1.00 . A A . 4 LYS HG3 1 1 4 1059 1 1 5 LYS HZ1 H -12.917 -5.481 5.401 1.00 . A A . 4 LYS HZ1 1 1 4 1060 1 1 5 LYS HZ3 H -13.651 -4.785 4.117 1.00 . A A . 4 LYS HZ3 1 1 4 1061 1 1 5 LYS N N -10.033 -0.778 1.604 1.00 . A A . 4 LYS N 1 1 4 1062 1 1 5 LYS NZ N -12.732 -4.949 4.543 1.00 . A A . 4 LYS NZ 1 1 4 1063 1 1 5 LYS O O -8.767 -2.547 -1.357 1.00 . A A . 4 LYS O 1 1 4 1064 1 1 6 HIS C C -7.068 1.199 -1.589 1.00 . A A . 5 HIS C 1 1 4 1065 1 1 6 HIS CA C -8.212 0.242 -2.041 1.00 . A A . 5 HIS CA 1 1 4 1066 1 1 6 HIS CB C -9.312 0.876 -2.920 1.00 . A A . 5 HIS CB 1 1 4 1067 1 1 6 HIS CD2 C -8.126 0.496 -5.192 1.00 . A A . 5 HIS CD2 1 1 4 1068 1 1 6 HIS CE1 C -8.197 2.458 -5.943 1.00 . A A . 5 HIS CE1 1 1 4 1069 1 1 6 HIS CG C -8.779 1.333 -4.273 1.00 . A A . 5 HIS CG 1 1 4 1070 1 1 6 HIS H H -9.279 0.200 -0.134 1.00 . A A . 5 HIS H 1 1 4 1071 1 1 6 HIS HA H -7.698 -0.558 -2.580 1.00 . A A . 5 HIS HA 1 1 4 1072 1 1 6 HIS HB2 H -10.118 0.139 -3.100 1.00 . A A . 5 HIS HB2 1 1 4 1073 1 1 6 HIS HB3 H -9.797 1.716 -2.384 1.00 . A A . 5 HIS HB3 1 1 4 1074 1 1 6 HIS HD2 H -7.939 -0.559 -5.054 1.00 . A A . 5 HIS HD2 1 1 4 1075 1 1 6 HIS HE1 H -8.052 3.298 -6.607 1.00 . A A . 5 HIS HE1 1 1 4 1076 1 1 6 HIS HE2 H -7.241 0.917 -7.146 1.00 . A A . 5 HIS HE2 1 1 4 1077 1 1 6 HIS N N -8.733 -0.362 -0.796 1.00 . A A . 5 HIS N 1 1 4 1078 1 1 6 HIS ND1 N -8.836 2.641 -4.741 1.00 . A A . 5 HIS ND1 1 1 4 1079 1 1 6 HIS NE2 N -7.741 1.218 -6.303 1.00 . A A . 5 HIS NE2 1 1 4 1080 1 1 6 HIS O O -5.999 1.172 -2.203 1.00 . A A . 5 HIS O 1 1 4 1081 1 1 7 MET C C -5.344 2.042 0.829 1.00 . A A . 6 MET C 1 1 4 1082 1 1 7 MET CA C -6.267 2.967 0.003 1.00 . A A . 6 MET CA 1 1 4 1083 1 1 7 MET CB C -6.848 4.157 0.812 1.00 . A A . 6 MET CB 1 1 4 1084 1 1 7 MET CE C -6.732 7.204 -0.865 1.00 . A A . 6 MET CE 1 1 4 1085 1 1 7 MET CG C -8.003 4.910 0.127 1.00 . A A . 6 MET CG 1 1 4 1086 1 1 7 MET H H -8.138 1.922 -0.025 1.00 . A A . 6 MET H 1 1 4 1087 1 1 7 MET HA H -5.650 3.326 -0.824 1.00 . A A . 6 MET HA 1 1 4 1088 1 1 7 MET HB2 H -7.196 3.822 1.807 1.00 . A A . 6 MET HB2 1 1 4 1089 1 1 7 MET HB3 H -6.026 4.865 1.025 1.00 . A A . 6 MET HB3 1 1 4 1090 1 1 7 MET HE1 H -5.757 6.699 -0.739 1.00 . A A . 6 MET HE1 1 1 4 1091 1 1 7 MET HE2 H -6.560 8.294 -0.822 1.00 . A A . 6 MET HE2 1 1 4 1092 1 1 7 MET HE3 H -7.122 6.959 -1.870 1.00 . A A . 6 MET HE3 1 1 4 1093 1 1 7 MET HG2 H -8.031 4.679 -0.954 1.00 . A A . 6 MET HG2 1 1 4 1094 1 1 7 MET HG3 H -8.970 4.546 0.520 1.00 . A A . 6 MET HG3 1 1 4 1095 1 1 7 MET N N -7.289 2.067 -0.568 1.00 . A A . 6 MET N 1 1 4 1096 1 1 7 MET O O -4.146 2.090 0.592 1.00 . A A . 6 MET O 1 1 4 1097 1 1 7 MET SD S -7.895 6.696 0.419 1.00 . A A . 6 MET SD 1 1 4 1098 1 1 8 PHE C C -4.366 -0.823 1.616 1.00 . A A . 7 PHE C 1 1 4 1099 1 1 8 PHE CA C -5.079 0.219 2.532 1.00 . A A . 7 PHE CA 1 1 4 1100 1 1 8 PHE CB C -6.020 -0.472 3.544 1.00 . A A . 7 PHE CB 1 1 4 1101 1 1 8 PHE CD1 C -5.277 -0.016 5.928 1.00 . A A . 7 PHE CD1 1 1 4 1102 1 1 8 PHE CD2 C -7.148 1.235 5.048 1.00 . A A . 7 PHE CD2 1 1 4 1103 1 1 8 PHE CE1 C -5.385 0.674 7.131 1.00 . A A . 7 PHE CE1 1 1 4 1104 1 1 8 PHE CE2 C -7.255 1.922 6.251 1.00 . A A . 7 PHE CE2 1 1 4 1105 1 1 8 PHE CG C -6.158 0.262 4.879 1.00 . A A . 7 PHE CG 1 1 4 1106 1 1 8 PHE CZ C -6.374 1.643 7.295 1.00 . A A . 7 PHE CZ 1 1 4 1107 1 1 8 PHE H H -6.885 1.095 1.695 1.00 . A A . 7 PHE H 1 1 4 1108 1 1 8 PHE HA H -4.299 0.784 3.048 1.00 . A A . 7 PHE HA 1 1 4 1109 1 1 8 PHE HB2 H -7.004 -0.554 3.074 1.00 . A A . 7 PHE HB2 1 1 4 1110 1 1 8 PHE HB3 H -5.743 -1.530 3.713 1.00 . A A . 7 PHE HB3 1 1 4 1111 1 1 8 PHE HD1 H -4.500 -0.759 5.812 1.00 . A A . 7 PHE HD1 1 1 4 1112 1 1 8 PHE HD2 H -7.829 1.472 4.244 1.00 . A A . 7 PHE HD2 1 1 4 1113 1 1 8 PHE HE1 H -4.688 0.451 7.923 1.00 . A A . 7 PHE HE1 1 1 4 1114 1 1 8 PHE HE2 H -8.021 2.675 6.352 1.00 . A A . 7 PHE HE2 1 1 4 1115 1 1 8 PHE HZ H -6.454 2.181 8.229 1.00 . A A . 7 PHE HZ 1 1 4 1116 1 1 8 PHE N N -5.871 1.197 1.746 1.00 . A A . 7 PHE N 1 1 4 1117 1 1 8 PHE O O -3.262 -1.254 1.952 1.00 . A A . 7 PHE O 1 1 4 1118 1 1 9 ASP C C -3.132 -1.499 -1.144 1.00 . A A . 8 ASP C 1 1 4 1119 1 1 9 ASP CA C -4.388 -2.170 -0.502 1.00 . A A . 8 ASP CA 1 1 4 1120 1 1 9 ASP CB C -5.443 -2.533 -1.574 1.00 . A A . 8 ASP CB 1 1 4 1121 1 1 9 ASP CG C -5.078 -3.701 -2.499 1.00 . A A . 8 ASP CG 1 1 4 1122 1 1 9 ASP H H -5.996 -0.962 0.500 1.00 . A A . 8 ASP H 1 1 4 1123 1 1 9 ASP HA H -4.131 -3.112 0.019 1.00 . A A . 8 ASP HA 1 1 4 1124 1 1 9 ASP HB2 H -6.379 -2.780 -1.064 1.00 . A A . 8 ASP HB2 1 1 4 1125 1 1 9 ASP HB3 H -5.690 -1.651 -2.195 1.00 . A A . 8 ASP HB3 1 1 4 1126 1 1 9 ASP HD2 H -5.487 -4.826 -0.964 1.00 . A A . 8 ASP HD2 1 1 4 1127 1 1 9 ASP N N -4.999 -1.227 0.486 1.00 . A A . 8 ASP N 1 1 4 1128 1 1 9 ASP O O -2.064 -2.115 -1.193 1.00 . A A . 8 ASP O 1 1 4 1129 1 1 9 ASP OD1 O -4.724 -3.551 -3.667 1.00 . A A . 8 ASP OD1 1 1 4 1130 1 1 9 ASP OD2 O -5.197 -4.916 -1.874 1.00 . A A . 8 ASP OD2 1 1 4 1131 1 1 10 ARG C C -1.125 0.866 -1.124 1.00 . A A . 9 ARG C 1 1 4 1132 1 1 10 ARG CA C -2.200 0.581 -2.192 1.00 . A A . 9 ARG CA 1 1 4 1133 1 1 10 ARG CB C -2.719 1.884 -2.842 1.00 . A A . 9 ARG CB 1 1 4 1134 1 1 10 ARG CD C -3.987 2.981 -4.796 1.00 . A A . 9 ARG CD 1 1 4 1135 1 1 10 ARG CG C -3.399 1.680 -4.215 1.00 . A A . 9 ARG CG 1 1 4 1136 1 1 10 ARG CZ C -4.940 3.754 -6.982 1.00 . A A . 9 ARG CZ 1 1 4 1137 1 1 10 ARG H H -4.262 0.111 -1.514 1.00 . A A . 9 ARG H 1 1 4 1138 1 1 10 ARG HA H -1.711 -0.046 -2.938 1.00 . A A . 9 ARG HA 1 1 4 1139 1 1 10 ARG HB2 H -3.401 2.408 -2.145 1.00 . A A . 9 ARG HB2 1 1 4 1140 1 1 10 ARG HB3 H -1.866 2.575 -2.982 1.00 . A A . 9 ARG HB3 1 1 4 1141 1 1 10 ARG HD2 H -4.825 3.333 -4.165 1.00 . A A . 9 ARG HD2 1 1 4 1142 1 1 10 ARG HD3 H -3.221 3.781 -4.776 1.00 . A A . 9 ARG HD3 1 1 4 1143 1 1 10 ARG HG2 H -2.655 1.254 -4.916 1.00 . A A . 9 ARG HG2 1 1 4 1144 1 1 10 ARG HG3 H -4.200 0.921 -4.132 1.00 . A A . 9 ARG HG3 1 1 4 1145 1 1 10 ARG HH11 H -4.795 5.248 -5.641 1.00 . A A . 9 ARG HH11 1 1 4 1146 1 1 10 ARG HH12 H -5.466 5.671 -7.296 1.00 . A A . 9 ARG HH12 1 1 4 1147 1 1 10 ARG HH21 H -5.183 2.450 -8.482 1.00 . A A . 9 ARG HH21 1 1 4 1148 1 1 10 ARG HH22 H -5.670 4.191 -8.794 1.00 . A A . 9 ARG HH22 1 1 4 1149 1 1 10 ARG N N -3.295 -0.233 -1.610 1.00 . A A . 9 ARG N 1 1 4 1150 1 1 10 ARG NE N -4.452 2.779 -6.190 1.00 . A A . 9 ARG NE 1 1 4 1151 1 1 10 ARG NH1 N -5.082 5.022 -6.600 1.00 . A A . 9 ARG NH1 1 1 4 1152 1 1 10 ARG NH2 N -5.301 3.432 -8.211 1.00 . A A . 9 ARG NH2 1 1 4 1153 1 1 10 ARG O O 0.020 0.459 -1.314 1.00 . A A . 9 ARG O 1 1 4 1154 1 1 11 ILE C C 0.287 0.553 1.584 1.00 . A A . 10 ILE C 1 1 4 1155 1 1 11 ILE CA C -0.576 1.791 1.161 1.00 . A A . 10 ILE CA 1 1 4 1156 1 1 11 ILE CB C -1.485 2.399 2.273 1.00 . A A . 10 ILE CB 1 1 4 1157 1 1 11 ILE CD1 C -3.138 4.367 2.648 1.00 . A A . 10 ILE CD1 1 1 4 1158 1 1 11 ILE CG1 C -1.920 3.841 1.894 1.00 . A A . 10 ILE CG1 1 1 4 1159 1 1 11 ILE CG2 C -0.955 2.332 3.715 1.00 . A A . 10 ILE CG2 1 1 4 1160 1 1 11 ILE H H -2.489 1.761 0.099 1.00 . A A . 10 ILE H 1 1 4 1161 1 1 11 ILE HA H 0.117 2.566 0.823 1.00 . A A . 10 ILE HA 1 1 4 1162 1 1 11 ILE HB H -2.376 1.768 2.298 1.00 . A A . 10 ILE HB 1 1 4 1163 1 1 11 ILE HD11 H -2.895 4.582 3.700 1.00 . A A . 10 ILE HD11 1 1 4 1164 1 1 11 ILE HD12 H -3.957 3.626 2.635 1.00 . A A . 10 ILE HD12 1 1 4 1165 1 1 11 ILE HD13 H -3.515 5.286 2.168 1.00 . A A . 10 ILE HD13 1 1 4 1166 1 1 11 ILE HG12 H -1.063 4.526 1.981 1.00 . A A . 10 ILE HG12 1 1 4 1167 1 1 11 ILE HG13 H -2.198 3.872 0.827 1.00 . A A . 10 ILE HG13 1 1 4 1168 1 1 11 ILE HG21 H -0.774 1.281 4.009 1.00 . A A . 10 ILE HG21 1 1 4 1169 1 1 11 ILE HG22 H -0.018 2.900 3.830 1.00 . A A . 10 ILE HG22 1 1 4 1170 1 1 11 ILE HG23 H -1.704 2.717 4.429 1.00 . A A . 10 ILE HG23 1 1 4 1171 1 1 11 ILE N N -1.490 1.501 0.006 1.00 . A A . 10 ILE N 1 1 4 1172 1 1 11 ILE O O 1.489 0.685 1.830 1.00 . A A . 10 ILE O 1 1 4 1173 1 1 12 GLY C C 1.420 -2.379 1.014 1.00 . A A . 11 GLY C 1 1 4 1174 1 1 12 GLY CA C 0.278 -1.916 1.960 1.00 . A A . 11 GLY CA 1 1 4 1175 1 1 12 GLY H H -1.376 -0.514 1.495 1.00 . A A . 11 GLY H 1 1 4 1176 1 1 12 GLY HA2 H 0.671 -1.840 2.985 1.00 . A A . 11 GLY HA2 1 1 4 1177 1 1 12 GLY HA3 H -0.499 -2.693 1.932 1.00 . A A . 11 GLY HA3 1 1 4 1178 1 1 12 GLY N N -0.367 -0.623 1.646 1.00 . A A . 11 GLY N 1 1 4 1179 1 1 12 GLY O O 2.203 -3.250 1.393 1.00 . A A . 11 GLY O 1 1 4 1180 1 1 13 LYS C C 2.801 -0.835 -2.109 1.00 . A A . 12 LYS C 1 1 4 1181 1 1 13 LYS CA C 2.467 -2.114 -1.259 1.00 . A A . 12 LYS CA 1 1 4 1182 1 1 13 LYS CB C 2.202 -3.412 -2.073 1.00 . A A . 12 LYS CB 1 1 4 1183 1 1 13 LYS CD C 0.733 -4.768 -3.697 1.00 . A A . 12 LYS CD 1 1 4 1184 1 1 13 LYS CE C -0.573 -4.873 -4.510 1.00 . A A . 12 LYS CE 1 1 4 1185 1 1 13 LYS CG C 0.896 -3.455 -2.901 1.00 . A A . 12 LYS CG 1 1 4 1186 1 1 13 LYS H H 0.568 -1.348 -0.437 1.00 . A A . 12 LYS H 1 1 4 1187 1 1 13 LYS HA H 3.411 -2.229 -0.702 1.00 . A A . 12 LYS HA 1 1 4 1188 1 1 13 LYS HB2 H 3.064 -3.588 -2.745 1.00 . A A . 12 LYS HB2 1 1 4 1189 1 1 13 LYS HB3 H 2.214 -4.274 -1.378 1.00 . A A . 12 LYS HB3 1 1 4 1190 1 1 13 LYS HD2 H 1.584 -4.864 -4.397 1.00 . A A . 12 LYS HD2 1 1 4 1191 1 1 13 LYS HD3 H 0.820 -5.639 -3.018 1.00 . A A . 12 LYS HD3 1 1 4 1192 1 1 13 LYS HE2 H -0.703 -3.982 -5.152 1.00 . A A . 12 LYS HE2 1 1 4 1193 1 1 13 LYS HE3 H -0.503 -5.732 -5.202 1.00 . A A . 12 LYS HE3 1 1 4 1194 1 1 13 LYS HG2 H 0.033 -3.325 -2.224 1.00 . A A . 12 LYS HG2 1 1 4 1195 1 1 13 LYS HG3 H 0.864 -2.597 -3.598 1.00 . A A . 12 LYS HG3 1 1 4 1196 1 1 13 LYS HZ1 H -1.861 -4.265 -3.013 1.00 . A A . 12 LYS HZ1 1 1 4 1197 1 1 13 LYS HZ3 H -1.664 -5.887 -3.078 1.00 . A A . 12 LYS HZ3 1 1 4 1198 1 1 13 LYS N N 1.430 -1.861 -0.227 1.00 . A A . 12 LYS N 1 1 4 1199 1 1 13 LYS NZ N -1.770 -5.052 -3.665 1.00 . A A . 12 LYS NZ 1 1 4 1200 1 1 13 LYS O O 2.986 -0.887 -3.328 1.00 . A A . 12 LYS O 1 1 4 1201 1 1 14 ASP C C 4.344 2.124 -0.964 1.00 . A A . 13 ASP C 1 1 4 1202 1 1 14 ASP CA C 3.297 1.639 -1.951 1.00 . A A . 13 ASP CA 1 1 4 1203 1 1 14 ASP CB C 2.108 2.578 -2.160 1.00 . A A . 13 ASP CB 1 1 4 1204 1 1 14 ASP CG C 2.372 3.768 -3.087 1.00 . A A . 13 ASP CG 1 1 4 1205 1 1 14 ASP H H 2.536 0.288 -0.458 1.00 . A A . 13 ASP H 1 1 4 1206 1 1 14 ASP HA H 3.860 1.503 -2.859 1.00 . A A . 13 ASP HA 1 1 4 1207 1 1 14 ASP HB2 H 1.255 1.993 -2.509 1.00 . A A . 13 ASP HB2 1 1 4 1208 1 1 14 ASP HB3 H 1.799 2.936 -1.179 1.00 . A A . 13 ASP HB3 1 1 4 1209 1 1 14 ASP HD2 H 1.832 2.558 -4.513 1.00 . A A . 13 ASP HD2 1 1 4 1210 1 1 14 ASP N N 2.932 0.310 -1.407 1.00 . A A . 13 ASP N 1 1 4 1211 1 1 14 ASP O O 5.470 2.372 -1.397 1.00 . A A . 13 ASP O 1 1 4 1212 1 1 14 ASP OD1 O 2.762 4.864 -2.687 1.00 . A A . 13 ASP OD1 1 1 4 1213 1 1 14 ASP OD2 O 2.128 3.465 -4.402 1.00 . A A . 13 ASP OD2 1 1 4 1214 1 1 15 VAL C C 5.286 1.529 2.285 1.00 . A A . 14 VAL C 1 1 4 1215 1 1 15 VAL CA C 4.968 2.750 1.343 1.00 . A A . 14 VAL CA 1 1 4 1216 1 1 15 VAL CB C 4.690 4.099 2.017 1.00 . A A . 14 VAL CB 1 1 4 1217 1 1 15 VAL CG1 C 4.648 5.211 0.957 1.00 . A A . 14 VAL CG1 1 1 4 1218 1 1 15 VAL CG2 C 3.419 4.086 2.884 1.00 . A A . 14 VAL CG2 1 1 4 1219 1 1 15 VAL H H 3.059 1.978 0.564 1.00 . A A . 14 VAL H 1 1 4 1220 1 1 15 VAL HA H 5.926 2.874 0.812 1.00 . A A . 14 VAL HA 1 1 4 1221 1 1 15 VAL HB H 5.580 4.282 2.641 1.00 . A A . 14 VAL HB 1 1 4 1222 1 1 15 VAL HG11 H 4.585 6.205 1.420 1.00 . A A . 14 VAL HG11 1 1 4 1223 1 1 15 VAL HG12 H 5.556 5.169 0.325 1.00 . A A . 14 VAL HG12 1 1 4 1224 1 1 15 VAL HG13 H 3.782 5.076 0.280 1.00 . A A . 14 VAL HG13 1 1 4 1225 1 1 15 VAL HG21 H 3.480 3.311 3.669 1.00 . A A . 14 VAL HG21 1 1 4 1226 1 1 15 VAL HG22 H 2.524 3.854 2.274 1.00 . A A . 14 VAL HG22 1 1 4 1227 1 1 15 VAL HG23 H 3.261 5.056 3.381 1.00 . A A . 14 VAL HG23 1 1 4 1228 1 1 15 VAL N N 3.966 2.362 0.311 1.00 . A A . 14 VAL N 1 1 4 1229 1 1 15 VAL O O 5.317 1.532 3.517 1.00 . A A . 14 VAL O 1 1 4 1230 1 1 16 TYR C C 6.886 -1.212 0.601 1.00 . A A . 15 TYR C 1 1 4 1231 1 1 16 TYR CA C 5.983 -0.862 1.826 1.00 . A A . 15 TYR CA 1 1 4 1232 1 1 16 TYR CB C 4.830 -1.837 2.111 1.00 . A A . 15 TYR CB 1 1 4 1233 1 1 16 TYR CD1 C 5.833 -3.592 3.648 1.00 . A A . 15 TYR CD1 1 1 4 1234 1 1 16 TYR CD2 C 5.336 -4.224 1.370 1.00 . A A . 15 TYR CD2 1 1 4 1235 1 1 16 TYR CE1 C 6.361 -4.858 3.885 1.00 . A A . 15 TYR CE1 1 1 4 1236 1 1 16 TYR CE2 C 5.866 -5.489 1.608 1.00 . A A . 15 TYR CE2 1 1 4 1237 1 1 16 TYR CG C 5.309 -3.269 2.393 1.00 . A A . 15 TYR CG 1 1 4 1238 1 1 16 TYR CZ C 6.374 -5.809 2.866 1.00 . A A . 15 TYR CZ 1 1 4 1239 1 1 16 TYR H H 5.143 0.760 0.580 1.00 . A A . 15 TYR H 1 1 4 1240 1 1 16 TYR HA H 6.628 -0.792 2.710 1.00 . A A . 15 TYR HA 1 1 4 1241 1 1 16 TYR HB2 H 4.227 -1.468 2.963 1.00 . A A . 15 TYR HB2 1 1 4 1242 1 1 16 TYR HB3 H 4.146 -1.811 1.253 1.00 . A A . 15 TYR HB3 1 1 4 1243 1 1 16 TYR HD1 H 5.877 -2.844 4.426 1.00 . A A . 15 TYR HD1 1 1 4 1244 1 1 16 TYR HD2 H 4.993 -3.975 0.373 1.00 . A A . 15 TYR HD2 1 1 4 1245 1 1 16 TYR HE1 H 6.783 -5.078 4.855 1.00 . A A . 15 TYR HE1 1 1 4 1246 1 1 16 TYR HE2 H 5.902 -6.206 0.802 1.00 . A A . 15 TYR HE2 1 1 4 1247 1 1 16 TYR HH H 7.219 -7.097 4.002 1.00 . A A . 15 TYR HH 1 1 4 1248 1 1 16 TYR N N 5.567 0.503 1.503 1.00 . A A . 15 TYR N 1 1 4 1249 1 1 16 TYR O O 7.963 -1.765 0.827 1.00 . A A . 15 TYR O 1 1 4 1250 1 1 16 TYR OH O 6.910 -7.052 3.094 1.00 . A A . 15 TYR OH 1 1 4 1251 1 1 17 ASP C C 8.408 -0.129 -1.904 1.00 . A A . 16 ASP C 1 1 4 1252 1 1 17 ASP CA C 7.288 -1.218 -1.868 1.00 . A A . 16 ASP CA 1 1 4 1253 1 1 17 ASP CB C 6.438 -1.377 -3.136 1.00 . A A . 16 ASP CB 1 1 4 1254 1 1 17 ASP CG C 7.203 -1.862 -4.374 1.00 . A A . 16 ASP CG 1 1 4 1255 1 1 17 ASP H H 5.598 -0.396 -0.708 1.00 . A A . 16 ASP H 1 1 4 1256 1 1 17 ASP HA H 7.795 -2.151 -1.678 1.00 . A A . 16 ASP HA 1 1 4 1257 1 1 17 ASP HB2 H 5.603 -2.080 -2.952 1.00 . A A . 16 ASP HB2 1 1 4 1258 1 1 17 ASP HB3 H 5.972 -0.410 -3.332 1.00 . A A . 16 ASP HB3 1 1 4 1259 1 1 17 ASP HD2 H 7.434 0.032 -4.764 1.00 . A A . 16 ASP HD2 1 1 4 1260 1 1 17 ASP N N 6.446 -0.978 -0.673 1.00 . A A . 16 ASP N 1 1 4 1261 1 1 17 ASP O O 9.563 -0.488 -2.153 1.00 . A A . 16 ASP O 1 1 4 1262 1 1 17 ASP OD1 O 7.375 -3.050 -4.641 1.00 . A A . 16 ASP OD1 1 1 4 1263 1 1 17 ASP OD2 O 7.669 -0.821 -5.137 1.00 . A A . 16 ASP OD2 1 1 4 1264 1 1 18 LYS C C 9.981 2.119 -0.294 1.00 . A A . 17 LYS C 1 1 4 1265 1 1 18 LYS CA C 9.105 2.250 -1.614 1.00 . A A . 17 LYS CA 1 1 4 1266 1 1 18 LYS CB C 8.398 3.629 -1.738 1.00 . A A . 17 LYS CB 1 1 4 1267 1 1 18 LYS CD C 10.142 4.929 -3.180 1.00 . A A . 17 LYS CD 1 1 4 1268 1 1 18 LYS CE C 11.012 6.192 -3.339 1.00 . A A . 17 LYS CE 1 1 4 1269 1 1 18 LYS CG C 9.299 4.878 -1.885 1.00 . A A . 17 LYS CG 1 1 4 1270 1 1 18 LYS H H 7.132 1.360 -1.329 1.00 . A A . 17 LYS H 1 1 4 1271 1 1 18 LYS HA H 9.746 2.114 -2.493 1.00 . A A . 17 LYS HA 1 1 4 1272 1 1 18 LYS HB2 H 7.704 3.616 -2.602 1.00 . A A . 17 LYS HB2 1 1 4 1273 1 1 18 LYS HB3 H 7.746 3.783 -0.857 1.00 . A A . 17 LYS HB3 1 1 4 1274 1 1 18 LYS HD2 H 10.815 4.052 -3.200 1.00 . A A . 17 LYS HD2 1 1 4 1275 1 1 18 LYS HD3 H 9.487 4.809 -4.065 1.00 . A A . 17 LYS HD3 1 1 4 1276 1 1 18 LYS HE2 H 11.635 6.349 -2.439 1.00 . A A . 17 LYS HE2 1 1 4 1277 1 1 18 LYS HE3 H 11.723 6.041 -4.172 1.00 . A A . 17 LYS HE3 1 1 4 1278 1 1 18 LYS HG2 H 8.648 5.772 -1.845 1.00 . A A . 17 LYS HG2 1 1 4 1279 1 1 18 LYS HG3 H 9.960 4.969 -1.003 1.00 . A A . 17 LYS HG3 1 1 4 1280 1 1 18 LYS HZ1 H 9.607 7.617 -2.823 1.00 . A A . 17 LYS HZ1 1 1 4 1281 1 1 18 LYS HZ3 H 10.853 8.222 -3.691 1.00 . A A . 17 LYS HZ3 1 1 4 1282 1 1 18 LYS N N 8.084 1.173 -1.677 1.00 . A A . 17 LYS N 1 1 4 1283 1 1 18 LYS NZ N 10.228 7.412 -3.614 1.00 . A A . 17 LYS NZ 1 1 4 1284 1 1 18 LYS O O 11.082 2.673 -0.234 1.00 . A A . 17 LYS O 1 1 4 1285 1 1 19 VAL C C 11.214 -0.029 1.837 1.00 . A A . 18 VAL C 1 1 4 1286 1 1 19 VAL CA C 10.171 1.104 2.025 1.00 . A A . 18 VAL CA 1 1 4 1287 1 1 19 VAL CB C 9.162 0.956 3.213 1.00 . A A . 18 VAL CB 1 1 4 1288 1 1 19 VAL CG1 C 9.703 0.300 4.488 1.00 . A A . 18 VAL CG1 1 1 4 1289 1 1 19 VAL CG2 C 8.465 2.281 3.580 1.00 . A A . 18 VAL CG2 1 1 4 1290 1 1 19 VAL H H 8.752 0.751 0.389 1.00 . A A . 18 VAL H 1 1 4 1291 1 1 19 VAL HA H 10.756 1.979 2.217 1.00 . A A . 18 VAL HA 1 1 4 1292 1 1 19 VAL HB H 8.384 0.268 2.914 1.00 . A A . 18 VAL HB 1 1 4 1293 1 1 19 VAL HG11 H 10.052 -0.726 4.271 1.00 . A A . 18 VAL HG11 1 1 4 1294 1 1 19 VAL HG12 H 8.902 0.198 5.244 1.00 . A A . 18 VAL HG12 1 1 4 1295 1 1 19 VAL HG13 H 10.538 0.875 4.919 1.00 . A A . 18 VAL HG13 1 1 4 1296 1 1 19 VAL HG21 H 9.181 3.039 3.939 1.00 . A A . 18 VAL HG21 1 1 4 1297 1 1 19 VAL HG22 H 7.929 2.704 2.711 1.00 . A A . 18 VAL HG22 1 1 4 1298 1 1 19 VAL HG23 H 7.706 2.130 4.371 1.00 . A A . 18 VAL HG23 1 1 4 1299 1 1 19 VAL N N 9.482 1.382 0.738 1.00 . A A . 18 VAL N 1 1 4 1300 1 1 19 VAL O O 12.380 0.166 2.195 1.00 . A A . 18 VAL O 1 1 4 1301 1 1 20 LYS C C 12.849 -1.979 -0.030 1.00 . A A . 19 LYS C 1 1 4 1302 1 1 20 LYS CA C 11.717 -2.331 1.012 1.00 . A A . 19 LYS CA 1 1 4 1303 1 1 20 LYS CB C 10.823 -3.525 0.568 1.00 . A A . 19 LYS CB 1 1 4 1304 1 1 20 LYS CD C 11.961 -5.285 -0.979 1.00 . A A . 19 LYS CD 1 1 4 1305 1 1 20 LYS CE C 12.640 -6.665 -1.039 1.00 . A A . 19 LYS CE 1 1 4 1306 1 1 20 LYS CG C 11.503 -4.911 0.447 1.00 . A A . 19 LYS CG 1 1 4 1307 1 1 20 LYS H H 9.805 -1.234 1.075 1.00 . A A . 19 LYS H 1 1 4 1308 1 1 20 LYS HA H 12.190 -2.602 1.969 1.00 . A A . 19 LYS HA 1 1 4 1309 1 1 20 LYS HB2 H 10.015 -3.646 1.315 1.00 . A A . 19 LYS HB2 1 1 4 1310 1 1 20 LYS HB3 H 10.289 -3.277 -0.371 1.00 . A A . 19 LYS HB3 1 1 4 1311 1 1 20 LYS HD2 H 11.085 -5.270 -1.656 1.00 . A A . 19 LYS HD2 1 1 4 1312 1 1 20 LYS HD3 H 12.652 -4.516 -1.370 1.00 . A A . 19 LYS HD3 1 1 4 1313 1 1 20 LYS HE2 H 13.525 -6.689 -0.378 1.00 . A A . 19 LYS HE2 1 1 4 1314 1 1 20 LYS HE3 H 11.954 -7.450 -0.669 1.00 . A A . 19 LYS HE3 1 1 4 1315 1 1 20 LYS HG2 H 12.349 -4.982 1.158 1.00 . A A . 19 LYS HG2 1 1 4 1316 1 1 20 LYS HG3 H 10.784 -5.681 0.786 1.00 . A A . 19 LYS HG3 1 1 4 1317 1 1 20 LYS HZ1 H 13.536 -7.910 -2.421 1.00 . A A . 19 LYS HZ1 1 1 4 1318 1 1 20 LYS HZ3 H 13.749 -6.322 -2.746 1.00 . A A . 19 LYS HZ3 1 1 4 1319 1 1 20 LYS N N 10.802 -1.194 1.301 1.00 . A A . 19 LYS N 1 1 4 1320 1 1 20 LYS NZ N 13.058 -7.002 -2.412 1.00 . A A . 19 LYS NZ 1 1 4 1321 1 1 20 LYS O O 13.871 -2.669 -0.069 1.00 . A A . 19 LYS O 1 1 4 1322 1 1 21 GLU C C 14.726 0.482 -1.191 1.00 . A A . 20 GLU C 1 1 4 1323 1 1 21 GLU CA C 13.643 -0.419 -1.828 1.00 . A A . 20 GLU CA 1 1 4 1324 1 1 21 GLU CB C 12.855 0.192 -3.006 1.00 . A A . 20 GLU CB 1 1 4 1325 1 1 21 GLU CD C 14.320 -0.505 -5.019 1.00 . A A . 20 GLU CD 1 1 4 1326 1 1 21 GLU CG C 13.666 0.639 -4.237 1.00 . A A . 20 GLU CG 1 1 4 1327 1 1 21 GLU H H 11.972 -0.239 -0.489 1.00 . A A . 20 GLU H 1 1 4 1328 1 1 21 GLU HA H 14.145 -1.277 -2.218 1.00 . A A . 20 GLU HA 1 1 4 1329 1 1 21 GLU HB2 H 12.055 -0.501 -3.328 1.00 . A A . 20 GLU HB2 1 1 4 1330 1 1 21 GLU HB3 H 12.326 1.063 -2.609 1.00 . A A . 20 GLU HB3 1 1 4 1331 1 1 21 GLU HE2 H 15.884 -0.137 -3.919 1.00 . A A . 20 GLU HE2 1 1 4 1332 1 1 21 GLU HG2 H 12.987 1.187 -4.915 1.00 . A A . 20 GLU HG2 1 1 4 1333 1 1 21 GLU HG3 H 14.428 1.379 -3.930 1.00 . A A . 20 GLU HG3 1 1 4 1334 1 1 21 GLU N N 12.668 -0.906 -0.839 1.00 . A A . 20 GLU N 1 1 4 1335 1 1 21 GLU O O 15.912 0.151 -1.185 1.00 . A A . 20 GLU O 1 1 4 1336 1 1 21 GLU OE1 O 13.743 -1.140 -5.901 1.00 . A A . 20 GLU OE1 1 1 4 1337 1 1 21 GLU OE2 O 15.613 -0.734 -4.620 1.00 . A A . 20 GLU OE2 1 1 4 1338 1 1 22 NH2 HN1 H 13.532 1.999 -1.042 1.00 . A A . 21 NH2 HN1 1 1 4 1339 1 1 22 NH2 HN2 H 14.235 1.278 0.413 1.00 . A A . 21 NH2 HN2 1 1 4 1340 1 1 22 NH2 N N 14.333 1.571 -0.561 1.00 . A A . 21 NH2 N 1 1 5 1341 1 1 2 GLU C C -13.074 -2.597 -1.993 1.00 . A A . 1 ACE C 1 1 5 1342 1 1 2 GLU CA C -14.102 -0.523 -1.079 1.00 . A A . 1 ACE CA 1 1 5 1343 1 1 2 GLU CB C -15.331 -0.313 -0.131 1.00 . A A . 1 ACE CB 1 1 5 1344 1 1 2 GLU CD C -16.867 -2.418 -0.286 1.00 . A A . 1 ACE CD 1 1 5 1345 1 1 2 GLU CG C -16.689 -0.917 -0.548 1.00 . A A . 1 ACE CG 1 1 5 1346 1 1 2 GLU H H -14.403 -2.593 -0.531 1.00 . A A . 1 ACE H 1 1 5 1347 1 1 2 GLU HA H -14.467 -0.278 -2.094 1.00 . A A . 1 ACE HA 1 1 5 1348 1 1 2 GLU HB2 H -15.062 -0.586 0.906 1.00 . A A . 1 ACE HB2 1 1 5 1349 1 1 2 GLU HB3 H -15.532 0.766 -0.080 1.00 . A A . 1 ACE HB3 1 1 5 1350 1 1 2 GLU HE2 H -16.919 -4.096 -1.271 1.00 . A A . 1 ACE HE2 1 1 5 1351 1 1 2 GLU HG2 H -17.478 -0.381 0.011 1.00 . A A . 1 ACE HG2 1 1 5 1352 1 1 2 GLU HG3 H -16.879 -0.674 -1.610 1.00 . A A . 1 ACE HG3 1 1 5 1353 1 1 2 GLU N N -13.756 -1.968 -1.022 1.00 . A A . 1 ACE N 1 1 5 1354 1 1 2 GLU O O -12.516 -2.022 -2.931 1.00 . A A . 1 ACE O 1 1 5 1355 1 1 2 GLU OE1 O -17.042 -2.893 0.835 1.00 . A A . 1 ACE OE1 1 1 5 1356 1 1 2 GLU OE2 O -16.807 -3.158 -1.440 1.00 . A A . 1 ACE OE2 1 1 5 1357 1 1 3 SER C C -11.050 2.180 1.041 1.00 . A A . 2 SER C 1 1 5 1358 1 1 3 SER CA C -12.113 2.660 0.036 1.00 . A A . 2 SER CA 1 1 5 1359 1 1 3 SER CB C -12.812 3.937 0.517 1.00 . A A . 2 SER CB 1 1 5 1360 1 1 3 SER H H -14.152 1.850 -0.281 1.00 . A A . 2 SER H 1 1 5 1361 1 1 3 SER HA H -11.613 2.940 -0.891 1.00 . A A . 2 SER HA 1 1 5 1362 1 1 3 SER HB2 H -13.710 4.151 -0.079 1.00 . A A . 2 SER HB2 1 1 5 1363 1 1 3 SER HB3 H -13.173 3.773 1.533 1.00 . A A . 2 SER HB3 1 1 5 1364 1 1 3 SER HG H -11.672 5.165 -0.427 1.00 . A A . 2 SER HG 1 1 5 1365 1 1 3 SER N N -13.149 1.644 -0.302 1.00 . A A . 2 SER N 1 1 5 1366 1 1 3 SER O O -9.858 2.398 0.826 1.00 . A A . 2 SER O 1 1 5 1367 1 1 3 SER OG O -11.933 5.056 0.490 1.00 . A A . 2 SER OG 1 1 5 1368 1 1 4 ALA C C -9.917 -0.410 2.861 1.00 . A A . 3 ALA C 1 1 5 1369 1 1 4 ALA CA C -10.608 0.963 3.161 1.00 . A A . 3 ALA CA 1 1 5 1370 1 1 4 ALA CB C -11.354 0.942 4.493 1.00 . A A . 3 ALA CB 1 1 5 1371 1 1 4 ALA H H -12.537 1.537 2.148 1.00 . A A . 3 ALA H 1 1 5 1372 1 1 4 ALA HA H -9.751 1.645 3.185 1.00 . A A . 3 ALA HA 1 1 5 1373 1 1 4 ALA HB1 H -11.755 1.939 4.744 1.00 . A A . 3 ALA HB1 1 1 5 1374 1 1 4 ALA HB2 H -12.198 0.227 4.452 1.00 . A A . 3 ALA HB2 1 1 5 1375 1 1 4 ALA HB3 H -10.682 0.630 5.310 1.00 . A A . 3 ALA HB3 1 1 5 1376 1 1 4 ALA N N -11.514 1.543 2.130 1.00 . A A . 3 ALA N 1 1 5 1377 1 1 4 ALA O O -9.329 -1.070 3.723 1.00 . A A . 3 ALA O 1 1 5 1378 1 1 5 LYS C C -8.957 -1.645 -0.543 1.00 . A A . 4 LYS C 1 1 5 1379 1 1 5 LYS CA C -9.457 -1.966 0.927 1.00 . A A . 4 LYS CA 1 1 5 1380 1 1 5 LYS CB C -10.429 -3.171 0.952 1.00 . A A . 4 LYS CB 1 1 5 1381 1 1 5 LYS CD C -11.634 -5.038 2.237 1.00 . A A . 4 LYS CD 1 1 5 1382 1 1 5 LYS CE C -11.896 -5.687 3.609 1.00 . A A . 4 LYS CE 1 1 5 1383 1 1 5 LYS CG C -10.693 -3.821 2.327 1.00 . A A . 4 LYS CG 1 1 5 1384 1 1 5 LYS H H -10.606 -0.100 1.108 1.00 . A A . 4 LYS H 1 1 5 1385 1 1 5 LYS HA H -8.515 -2.140 1.470 1.00 . A A . 4 LYS HA 1 1 5 1386 1 1 5 LYS HB2 H -11.383 -2.846 0.496 1.00 . A A . 4 LYS HB2 1 1 5 1387 1 1 5 LYS HB3 H -10.033 -3.951 0.277 1.00 . A A . 4 LYS HB3 1 1 5 1388 1 1 5 LYS HD2 H -12.594 -4.726 1.782 1.00 . A A . 4 LYS HD2 1 1 5 1389 1 1 5 LYS HD3 H -11.201 -5.787 1.546 1.00 . A A . 4 LYS HD3 1 1 5 1390 1 1 5 LYS HE2 H -10.945 -6.015 4.069 1.00 . A A . 4 LYS HE2 1 1 5 1391 1 1 5 LYS HE3 H -12.341 -4.952 4.305 1.00 . A A . 4 LYS HE3 1 1 5 1392 1 1 5 LYS HG2 H -9.731 -4.124 2.780 1.00 . A A . 4 LYS HG2 1 1 5 1393 1 1 5 LYS HG3 H -11.131 -3.074 3.014 1.00 . A A . 4 LYS HG3 1 1 5 1394 1 1 5 LYS HZ1 H -12.368 -7.569 2.906 1.00 . A A . 4 LYS HZ1 1 1 5 1395 1 1 5 LYS HZ3 H -12.930 -7.281 4.414 1.00 . A A . 4 LYS HZ3 1 1 5 1396 1 1 5 LYS N N -10.029 -0.781 1.595 1.00 . A A . 4 LYS N 1 1 5 1397 1 1 5 LYS NZ N -12.798 -6.847 3.494 1.00 . A A . 4 LYS NZ 1 1 5 1398 1 1 5 LYS O O -8.782 -2.529 -1.386 1.00 . A A . 4 LYS O 1 1 5 1399 1 1 6 HIS C C -7.065 1.197 -1.569 1.00 . A A . 5 HIS C 1 1 5 1400 1 1 6 HIS CA C -8.215 0.264 -2.045 1.00 . A A . 5 HIS CA 1 1 5 1401 1 1 6 HIS CB C -9.304 0.928 -2.914 1.00 . A A . 5 HIS CB 1 1 5 1402 1 1 6 HIS CD2 C -8.505 0.409 -5.320 1.00 . A A . 5 HIS CD2 1 1 5 1403 1 1 6 HIS CE1 C -7.942 2.343 -5.920 1.00 . A A . 5 HIS CE1 1 1 5 1404 1 1 6 HIS CG C -8.768 1.320 -4.286 1.00 . A A . 5 HIS CG 1 1 5 1405 1 1 6 HIS H H -9.279 0.210 -0.138 1.00 . A A . 5 HIS H 1 1 5 1406 1 1 6 HIS HA H -7.710 -0.529 -2.604 1.00 . A A . 5 HIS HA 1 1 5 1407 1 1 6 HIS HB2 H -10.148 0.228 -3.059 1.00 . A A . 5 HIS HB2 1 1 5 1408 1 1 6 HIS HB3 H -9.740 1.804 -2.395 1.00 . A A . 5 HIS HB3 1 1 5 1409 1 1 6 HIS HD2 H -8.653 -0.660 -5.257 1.00 . A A . 5 HIS HD2 1 1 5 1410 1 1 6 HIS HE1 H -7.543 3.142 -6.528 1.00 . A A . 5 HIS HE1 1 1 5 1411 1 1 6 HIS HE2 H -7.651 0.697 -7.311 1.00 . A A . 5 HIS HE2 1 1 5 1412 1 1 6 HIS N N -8.736 -0.349 -0.806 1.00 . A A . 5 HIS N 1 1 5 1413 1 1 6 HIS ND1 N -8.397 2.609 -4.652 1.00 . A A . 5 HIS ND1 1 1 5 1414 1 1 6 HIS NE2 N -7.983 1.068 -6.414 1.00 . A A . 5 HIS NE2 1 1 5 1415 1 1 6 HIS O O -5.979 1.134 -2.146 1.00 . A A . 5 HIS O 1 1 5 1416 1 1 7 MET C C -5.329 2.022 0.827 1.00 . A A . 6 MET C 1 1 5 1417 1 1 7 MET CA C -6.251 2.962 0.017 1.00 . A A . 6 MET CA 1 1 5 1418 1 1 7 MET CB C -6.815 4.150 0.841 1.00 . A A . 6 MET CB 1 1 5 1419 1 1 7 MET CE C -9.143 7.358 -0.507 1.00 . A A . 6 MET CE 1 1 5 1420 1 1 7 MET CG C -7.956 4.930 0.165 1.00 . A A . 6 MET CG 1 1 5 1421 1 1 7 MET H H -8.141 1.949 -0.023 1.00 . A A . 6 MET H 1 1 5 1422 1 1 7 MET HA H -5.634 3.322 -0.809 1.00 . A A . 6 MET HA 1 1 5 1423 1 1 7 MET HB2 H -7.169 3.807 1.832 1.00 . A A . 6 MET HB2 1 1 5 1424 1 1 7 MET HB3 H -5.983 4.843 1.061 1.00 . A A . 6 MET HB3 1 1 5 1425 1 1 7 MET HE1 H -10.115 6.974 -0.149 1.00 . A A . 6 MET HE1 1 1 5 1426 1 1 7 MET HE2 H -9.028 7.076 -1.570 1.00 . A A . 6 MET HE2 1 1 5 1427 1 1 7 MET HE3 H -9.169 8.461 -0.447 1.00 . A A . 6 MET HE3 1 1 5 1428 1 1 7 MET HG2 H -7.966 4.720 -0.920 1.00 . A A . 6 MET HG2 1 1 5 1429 1 1 7 MET HG3 H -8.935 4.579 0.542 1.00 . A A . 6 MET HG3 1 1 5 1430 1 1 7 MET N N -7.289 2.083 -0.562 1.00 . A A . 6 MET N 1 1 5 1431 1 1 7 MET O O -4.133 2.061 0.580 1.00 . A A . 6 MET O 1 1 5 1432 1 1 7 MET SD S -7.786 6.704 0.484 1.00 . A A . 6 MET SD 1 1 5 1433 1 1 8 PHE C C -4.364 -0.857 1.576 1.00 . A A . 7 PHE C 1 1 5 1434 1 1 8 PHE CA C -5.068 0.182 2.506 1.00 . A A . 7 PHE CA 1 1 5 1435 1 1 8 PHE CB C -6.009 -0.517 3.512 1.00 . A A . 7 PHE CB 1 1 5 1436 1 1 8 PHE CD1 C -7.125 1.185 5.031 1.00 . A A . 7 PHE CD1 1 1 5 1437 1 1 8 PHE CD2 C -5.265 -0.089 5.901 1.00 . A A . 7 PHE CD2 1 1 5 1438 1 1 8 PHE CE1 C -7.227 1.864 6.239 1.00 . A A . 7 PHE CE1 1 1 5 1439 1 1 8 PHE CE2 C -5.368 0.592 7.110 1.00 . A A . 7 PHE CE2 1 1 5 1440 1 1 8 PHE CG C -6.143 0.205 4.855 1.00 . A A . 7 PHE CG 1 1 5 1441 1 1 8 PHE CZ C -6.349 1.568 7.282 1.00 . A A . 7 PHE CZ 1 1 5 1442 1 1 8 PHE H H -6.874 1.075 1.689 1.00 . A A . 7 PHE H 1 1 5 1443 1 1 8 PHE HA H -4.286 0.739 3.027 1.00 . A A . 7 PHE HA 1 1 5 1444 1 1 8 PHE HB2 H -6.993 -0.593 3.042 1.00 . A A . 7 PHE HB2 1 1 5 1445 1 1 8 PHE HB3 H -5.734 -1.577 3.672 1.00 . A A . 7 PHE HB3 1 1 5 1446 1 1 8 PHE HD1 H -7.803 1.435 4.228 1.00 . A A . 7 PHE HD1 1 1 5 1447 1 1 8 PHE HD2 H -4.494 -0.837 5.779 1.00 . A A . 7 PHE HD2 1 1 5 1448 1 1 8 PHE HE1 H -7.986 2.622 6.345 1.00 . A A . 7 PHE HE1 1 1 5 1449 1 1 8 PHE HE2 H -4.673 0.358 7.899 1.00 . A A . 7 PHE HE2 1 1 5 1450 1 1 8 PHE HZ H -6.425 2.099 8.219 1.00 . A A . 7 PHE HZ 1 1 5 1451 1 1 8 PHE N N -5.859 1.172 1.736 1.00 . A A . 7 PHE N 1 1 5 1452 1 1 8 PHE O O -3.268 -1.308 1.910 1.00 . A A . 7 PHE O 1 1 5 1453 1 1 9 ASP C C -3.130 -1.507 -1.191 1.00 . A A . 8 ASP C 1 1 5 1454 1 1 9 ASP CA C -4.396 -2.166 -0.566 1.00 . A A . 8 ASP CA 1 1 5 1455 1 1 9 ASP CB C -5.445 -2.496 -1.655 1.00 . A A . 8 ASP CB 1 1 5 1456 1 1 9 ASP CG C -5.074 -3.648 -2.598 1.00 . A A . 8 ASP CG 1 1 5 1457 1 1 9 ASP H H -5.988 -0.947 0.448 1.00 . A A . 8 ASP H 1 1 5 1458 1 1 9 ASP HA H -4.154 -3.121 -0.060 1.00 . A A . 8 ASP HA 1 1 5 1459 1 1 9 ASP HB2 H -6.390 -2.741 -1.158 1.00 . A A . 8 ASP HB2 1 1 5 1460 1 1 9 ASP HB3 H -5.677 -1.601 -2.262 1.00 . A A . 8 ASP HB3 1 1 5 1461 1 1 9 ASP HD2 H -5.859 -4.794 -1.235 1.00 . A A . 8 ASP HD2 1 1 5 1462 1 1 9 ASP N N -4.996 -1.231 0.435 1.00 . A A . 8 ASP N 1 1 5 1463 1 1 9 ASP O O -2.070 -2.137 -1.231 1.00 . A A . 8 ASP O 1 1 5 1464 1 1 9 ASP OD1 O -4.513 -3.481 -3.680 1.00 . A A . 8 ASP OD1 1 1 5 1465 1 1 9 ASP OD2 O -5.435 -4.871 -2.092 1.00 . A A . 8 ASP OD2 1 1 5 1466 1 1 10 ARG C C -1.099 0.834 -1.132 1.00 . A A . 9 ARG C 1 1 5 1467 1 1 10 ARG CA C -2.150 0.548 -2.227 1.00 . A A . 9 ARG CA 1 1 5 1468 1 1 10 ARG CB C -2.609 1.825 -2.974 1.00 . A A . 9 ARG CB 1 1 5 1469 1 1 10 ARG CD C -4.120 0.740 -4.835 1.00 . A A . 9 ARG CD 1 1 5 1470 1 1 10 ARG CG C -2.922 1.647 -4.481 1.00 . A A . 9 ARG CG 1 1 5 1471 1 1 10 ARG CZ C -4.861 -0.458 -6.914 1.00 . A A . 9 ARG CZ 1 1 5 1472 1 1 10 ARG H H -4.237 0.119 -1.573 1.00 . A A . 9 ARG H 1 1 5 1473 1 1 10 ARG HA H -1.650 -0.115 -2.934 1.00 . A A . 9 ARG HA 1 1 5 1474 1 1 10 ARG HB2 H -3.455 2.307 -2.450 1.00 . A A . 9 ARG HB2 1 1 5 1475 1 1 10 ARG HB3 H -1.793 2.572 -2.917 1.00 . A A . 9 ARG HB3 1 1 5 1476 1 1 10 ARG HD2 H -4.003 -0.243 -4.341 1.00 . A A . 9 ARG HD2 1 1 5 1477 1 1 10 ARG HD3 H -5.058 1.179 -4.452 1.00 . A A . 9 ARG HD3 1 1 5 1478 1 1 10 ARG HG2 H -3.092 2.650 -4.919 1.00 . A A . 9 ARG HG2 1 1 5 1479 1 1 10 ARG HG3 H -2.010 1.268 -4.980 1.00 . A A . 9 ARG HG3 1 1 5 1480 1 1 10 ARG HH11 H -5.411 -1.435 -5.242 1.00 . A A . 9 ARG HH11 1 1 5 1481 1 1 10 ARG HH12 H -5.890 -2.186 -6.847 1.00 . A A . 9 ARG HH12 1 1 5 1482 1 1 10 ARG HH21 H -4.436 0.319 -8.710 1.00 . A A . 9 ARG HH21 1 1 5 1483 1 1 10 ARG HH22 H -5.374 -1.258 -8.675 1.00 . A A . 9 ARG HH22 1 1 5 1484 1 1 10 ARG N N -3.271 -0.239 -1.659 1.00 . A A . 9 ARG N 1 1 5 1485 1 1 10 ARG NE N -4.238 0.570 -6.304 1.00 . A A . 9 ARG NE 1 1 5 1486 1 1 10 ARG NH1 N -5.448 -1.463 -6.267 1.00 . A A . 9 ARG NH1 1 1 5 1487 1 1 10 ARG NH2 N -4.894 -0.467 -8.233 1.00 . A A . 9 ARG NH2 1 1 5 1488 1 1 10 ARG O O 0.043 0.413 -1.300 1.00 . A A . 9 ARG O 1 1 5 1489 1 1 11 ILE C C 0.292 0.519 1.586 1.00 . A A . 10 ILE C 1 1 5 1490 1 1 11 ILE CA C -0.567 1.757 1.155 1.00 . A A . 10 ILE CA 1 1 5 1491 1 1 11 ILE CB C -1.480 2.365 2.265 1.00 . A A . 10 ILE CB 1 1 5 1492 1 1 11 ILE CD1 C -3.131 4.330 2.643 1.00 . A A . 10 ILE CD1 1 1 5 1493 1 1 11 ILE CG1 C -1.912 3.808 1.887 1.00 . A A . 10 ILE CG1 1 1 5 1494 1 1 11 ILE CG2 C -0.953 2.295 3.709 1.00 . A A . 10 ILE CG2 1 1 5 1495 1 1 11 ILE H H -2.473 1.733 0.079 1.00 . A A . 10 ILE H 1 1 5 1496 1 1 11 ILE HA H 0.129 2.531 0.824 1.00 . A A . 10 ILE HA 1 1 5 1497 1 1 11 ILE HB H -2.370 1.733 2.285 1.00 . A A . 10 ILE HB 1 1 5 1498 1 1 11 ILE HD11 H -3.946 3.585 2.635 1.00 . A A . 10 ILE HD11 1 1 5 1499 1 1 11 ILE HD12 H -2.886 4.549 3.693 1.00 . A A . 10 ILE HD12 1 1 5 1500 1 1 11 ILE HD13 H -3.513 5.244 2.159 1.00 . A A . 10 ILE HD13 1 1 5 1501 1 1 11 ILE HG12 H -1.054 4.490 1.979 1.00 . A A . 10 ILE HG12 1 1 5 1502 1 1 11 ILE HG13 H -2.187 3.838 0.819 1.00 . A A . 10 ILE HG13 1 1 5 1503 1 1 11 ILE HG21 H -0.775 1.244 4.002 1.00 . A A . 10 ILE HG21 1 1 5 1504 1 1 11 ILE HG22 H -1.703 2.681 4.422 1.00 . A A . 10 ILE HG22 1 1 5 1505 1 1 11 ILE HG23 H -0.015 2.860 3.827 1.00 . A A . 10 ILE HG23 1 1 5 1506 1 1 11 ILE N N -1.473 1.474 -0.008 1.00 . A A . 10 ILE N 1 1 5 1507 1 1 11 ILE O O 1.492 0.651 1.843 1.00 . A A . 10 ILE O 1 1 5 1508 1 1 12 GLY C C 1.438 -2.404 1.030 1.00 . A A . 11 GLY C 1 1 5 1509 1 1 12 GLY CA C 0.280 -1.951 1.961 1.00 . A A . 11 GLY CA 1 1 5 1510 1 1 12 GLY H H -1.369 -0.548 1.477 1.00 . A A . 11 GLY H 1 1 5 1511 1 1 12 GLY HA2 H 0.662 -1.871 2.990 1.00 . A A . 11 GLY HA2 1 1 5 1512 1 1 12 GLY HA3 H -0.494 -2.731 1.927 1.00 . A A . 11 GLY HA3 1 1 5 1513 1 1 12 GLY N N -0.363 -0.658 1.642 1.00 . A A . 11 GLY N 1 1 5 1514 1 1 12 GLY O O 2.232 -3.256 1.429 1.00 . A A . 11 GLY O 1 1 5 1515 1 1 13 LYS C C 2.786 -0.871 -2.096 1.00 . A A . 12 LYS C 1 1 5 1516 1 1 13 LYS CA C 2.498 -2.157 -1.235 1.00 . A A . 12 LYS CA 1 1 5 1517 1 1 13 LYS CB C 2.219 -3.468 -2.024 1.00 . A A . 12 LYS CB 1 1 5 1518 1 1 13 LYS CD C 3.154 -5.377 -3.481 1.00 . A A . 12 LYS CD 1 1 5 1519 1 1 13 LYS CE C 4.380 -5.913 -4.244 1.00 . A A . 12 LYS CE 1 1 5 1520 1 1 13 LYS CG C 3.439 -4.033 -2.784 1.00 . A A . 12 LYS CG 1 1 5 1521 1 1 13 LYS H H 0.582 -1.404 -0.436 1.00 . A A . 12 LYS H 1 1 5 1522 1 1 13 LYS HA H 3.439 -2.249 -0.667 1.00 . A A . 12 LYS HA 1 1 5 1523 1 1 13 LYS HB2 H 1.871 -4.253 -1.323 1.00 . A A . 12 LYS HB2 1 1 5 1524 1 1 13 LYS HB3 H 1.376 -3.311 -2.724 1.00 . A A . 12 LYS HB3 1 1 5 1525 1 1 13 LYS HD2 H 2.827 -6.119 -2.728 1.00 . A A . 12 LYS HD2 1 1 5 1526 1 1 13 LYS HD3 H 2.303 -5.255 -4.179 1.00 . A A . 12 LYS HD3 1 1 5 1527 1 1 13 LYS HE2 H 4.710 -5.185 -5.008 1.00 . A A . 12 LYS HE2 1 1 5 1528 1 1 13 LYS HE3 H 5.235 -6.050 -3.556 1.00 . A A . 12 LYS HE3 1 1 5 1529 1 1 13 LYS HG2 H 3.776 -3.303 -3.542 1.00 . A A . 12 LYS HG2 1 1 5 1530 1 1 13 LYS HG3 H 4.286 -4.154 -2.082 1.00 . A A . 12 LYS HG3 1 1 5 1531 1 1 13 LYS HZ1 H 4.924 -7.552 -5.376 1.00 . A A . 12 LYS HZ1 1 1 5 1532 1 1 13 LYS HZ3 H 3.844 -7.906 -4.201 1.00 . A A . 12 LYS HZ3 1 1 5 1533 1 1 13 LYS N N 1.447 -1.907 -0.220 1.00 . A A . 12 LYS N 1 1 5 1534 1 1 13 LYS NZ N 4.085 -7.198 -4.903 1.00 . A A . 12 LYS NZ 1 1 5 1535 1 1 13 LYS O O 2.882 -0.907 -3.326 1.00 . A A . 12 LYS O 1 1 5 1536 1 1 14 ASP C C 4.332 2.106 -0.956 1.00 . A A . 13 ASP C 1 1 5 1537 1 1 14 ASP CA C 3.295 1.602 -1.945 1.00 . A A . 13 ASP CA 1 1 5 1538 1 1 14 ASP CB C 2.099 2.529 -2.165 1.00 . A A . 13 ASP CB 1 1 5 1539 1 1 14 ASP CG C 2.346 3.704 -3.115 1.00 . A A . 13 ASP CG 1 1 5 1540 1 1 14 ASP H H 2.547 0.255 -0.451 1.00 . A A . 13 ASP H 1 1 5 1541 1 1 14 ASP HA H 3.864 1.468 -2.850 1.00 . A A . 13 ASP HA 1 1 5 1542 1 1 14 ASP HB2 H 1.256 1.932 -2.515 1.00 . A A . 13 ASP HB2 1 1 5 1543 1 1 14 ASP HB3 H 1.779 2.888 -1.187 1.00 . A A . 13 ASP HB3 1 1 5 1544 1 1 14 ASP HD2 H 2.968 4.640 -1.525 1.00 . A A . 13 ASP HD2 1 1 5 1545 1 1 14 ASP N N 2.958 0.267 -1.394 1.00 . A A . 13 ASP N 1 1 5 1546 1 1 14 ASP O O 5.456 2.365 -1.387 1.00 . A A . 13 ASP O 1 1 5 1547 1 1 14 ASP OD1 O 2.113 3.659 -4.323 1.00 . A A . 13 ASP OD1 1 1 5 1548 1 1 14 ASP OD2 O 2.856 4.800 -2.465 1.00 . A A . 13 ASP OD2 1 1 5 1549 1 1 15 VAL C C 5.272 1.545 2.299 1.00 . A A . 14 VAL C 1 1 5 1550 1 1 15 VAL CA C 4.941 2.756 1.348 1.00 . A A . 14 VAL CA 1 1 5 1551 1 1 15 VAL CB C 4.645 4.106 2.012 1.00 . A A . 14 VAL CB 1 1 5 1552 1 1 15 VAL CG1 C 4.596 5.211 0.945 1.00 . A A . 14 VAL CG1 1 1 5 1553 1 1 15 VAL CG2 C 3.372 4.084 2.876 1.00 . A A . 14 VAL CG2 1 1 5 1554 1 1 15 VAL H H 3.044 1.955 0.568 1.00 . A A . 14 VAL H 1 1 5 1555 1 1 15 VAL HA H 5.899 2.888 0.820 1.00 . A A . 14 VAL HA 1 1 5 1556 1 1 15 VAL HB H 5.531 4.303 2.639 1.00 . A A . 14 VAL HB 1 1 5 1557 1 1 15 VAL HG11 H 5.506 5.174 0.316 1.00 . A A . 14 VAL HG11 1 1 5 1558 1 1 15 VAL HG12 H 4.521 6.207 1.401 1.00 . A A . 14 VAL HG12 1 1 5 1559 1 1 15 VAL HG13 H 3.733 5.062 0.267 1.00 . A A . 14 VAL HG13 1 1 5 1560 1 1 15 VAL HG21 H 2.482 3.839 2.266 1.00 . A A . 14 VAL HG21 1 1 5 1561 1 1 15 VAL HG22 H 3.440 3.314 3.666 1.00 . A A . 14 VAL HG22 1 1 5 1562 1 1 15 VAL HG23 H 3.202 5.055 3.368 1.00 . A A . 14 VAL HG23 1 1 5 1563 1 1 15 VAL N N 3.947 2.350 0.316 1.00 . A A . 14 VAL N 1 1 5 1564 1 1 15 VAL O O 5.305 1.557 3.531 1.00 . A A . 14 VAL O 1 1 5 1565 1 1 16 TYR C C 6.902 -1.185 0.633 1.00 . A A . 15 TYR C 1 1 5 1566 1 1 16 TYR CA C 5.993 -0.843 1.855 1.00 . A A . 15 TYR CA 1 1 5 1567 1 1 16 TYR CB C 4.847 -1.826 2.139 1.00 . A A . 15 TYR CB 1 1 5 1568 1 1 16 TYR CD1 C 5.856 -3.598 3.655 1.00 . A A . 15 TYR CD1 1 1 5 1569 1 1 16 TYR CD2 C 5.371 -4.197 1.365 1.00 . A A . 15 TYR CD2 1 1 5 1570 1 1 16 TYR CE1 C 6.387 -4.865 3.874 1.00 . A A . 15 TYR CE1 1 1 5 1571 1 1 16 TYR CE2 C 5.906 -5.463 1.585 1.00 . A A . 15 TYR CE2 1 1 5 1572 1 1 16 TYR CG C 5.336 -3.259 2.403 1.00 . A A . 15 TYR CG 1 1 5 1573 1 1 16 TYR CZ C 6.407 -5.802 2.841 1.00 . A A . 15 TYR CZ 1 1 5 1574 1 1 16 TYR H H 5.139 0.763 0.599 1.00 . A A . 15 TYR H 1 1 5 1575 1 1 16 TYR HA H 6.633 -0.767 2.741 1.00 . A A . 15 TYR HA 1 1 5 1576 1 1 16 TYR HB2 H 4.248 -1.468 2.998 1.00 . A A . 15 TYR HB2 1 1 5 1577 1 1 16 TYR HB3 H 4.156 -1.795 1.285 1.00 . A A . 15 TYR HB3 1 1 5 1578 1 1 16 TYR HD1 H 5.890 -2.863 4.446 1.00 . A A . 15 TYR HD1 1 1 5 1579 1 1 16 TYR HD2 H 5.028 -3.936 0.372 1.00 . A A . 15 TYR HD2 1 1 5 1580 1 1 16 TYR HE1 H 6.805 -5.098 4.843 1.00 . A A . 15 TYR HE1 1 1 5 1581 1 1 16 TYR HE2 H 5.948 -6.165 0.767 1.00 . A A . 15 TYR HE2 1 1 5 1582 1 1 16 TYR HH H 6.878 -7.556 2.241 1.00 . A A . 15 TYR HH 1 1 5 1583 1 1 16 TYR N N 5.563 0.516 1.525 1.00 . A A . 15 TYR N 1 1 5 1584 1 1 16 TYR O O 7.986 -1.720 0.864 1.00 . A A . 15 TYR O 1 1 5 1585 1 1 16 TYR OH O 6.938 -7.048 3.054 1.00 . A A . 15 TYR OH 1 1 5 1586 1 1 17 ASP C C 8.424 -0.101 -1.870 1.00 . A A . 16 ASP C 1 1 5 1587 1 1 17 ASP CA C 7.316 -1.202 -1.833 1.00 . A A . 16 ASP CA 1 1 5 1588 1 1 17 ASP CB C 6.476 -1.373 -3.106 1.00 . A A . 16 ASP CB 1 1 5 1589 1 1 17 ASP CG C 7.232 -1.936 -4.315 1.00 . A A . 16 ASP CG 1 1 5 1590 1 1 17 ASP H H 5.610 -0.393 -0.684 1.00 . A A . 16 ASP H 1 1 5 1591 1 1 17 ASP HA H 7.838 -2.127 -1.639 1.00 . A A . 16 ASP HA 1 1 5 1592 1 1 17 ASP HB2 H 5.614 -2.035 -2.908 1.00 . A A . 16 ASP HB2 1 1 5 1593 1 1 17 ASP HB3 H 6.049 -0.398 -3.343 1.00 . A A . 16 ASP HB3 1 1 5 1594 1 1 17 ASP HD2 H 8.272 -1.306 -5.835 1.00 . A A . 16 ASP HD2 1 1 5 1595 1 1 17 ASP N N 6.464 -0.967 -0.644 1.00 . A A . 16 ASP N 1 1 5 1596 1 1 17 ASP O O 9.582 -0.447 -2.116 1.00 . A A . 16 ASP O 1 1 5 1597 1 1 17 ASP OD1 O 7.313 -3.139 -4.561 1.00 . A A . 16 ASP OD1 1 1 5 1598 1 1 17 ASP OD2 O 7.800 -0.949 -5.079 1.00 . A A . 16 ASP OD2 1 1 5 1599 1 1 18 LYS C C 9.974 2.162 -0.263 1.00 . A A . 17 LYS C 1 1 5 1600 1 1 18 LYS CA C 9.093 2.287 -1.581 1.00 . A A . 17 LYS CA 1 1 5 1601 1 1 18 LYS CB C 8.362 3.653 -1.692 1.00 . A A . 17 LYS CB 1 1 5 1602 1 1 18 LYS CD C 8.494 6.192 -2.075 1.00 . A A . 17 LYS CD 1 1 5 1603 1 1 18 LYS CE C 9.413 7.406 -2.302 1.00 . A A . 17 LYS CE 1 1 5 1604 1 1 18 LYS CG C 9.280 4.875 -1.920 1.00 . A A . 17 LYS CG 1 1 5 1605 1 1 18 LYS H H 7.129 1.375 -1.306 1.00 . A A . 17 LYS H 1 1 5 1606 1 1 18 LYS HA H 9.732 2.170 -2.465 1.00 . A A . 17 LYS HA 1 1 5 1607 1 1 18 LYS HB2 H 7.643 3.615 -2.534 1.00 . A A . 17 LYS HB2 1 1 5 1608 1 1 18 LYS HB3 H 7.744 3.822 -0.789 1.00 . A A . 17 LYS HB3 1 1 5 1609 1 1 18 LYS HD2 H 7.784 6.098 -2.920 1.00 . A A . 17 LYS HD2 1 1 5 1610 1 1 18 LYS HD3 H 7.873 6.357 -1.173 1.00 . A A . 17 LYS HD3 1 1 5 1611 1 1 18 LYS HE2 H 10.120 7.520 -1.459 1.00 . A A . 17 LYS HE2 1 1 5 1612 1 1 18 LYS HE3 H 10.030 7.260 -3.208 1.00 . A A . 17 LYS HE3 1 1 5 1613 1 1 18 LYS HG2 H 9.989 4.972 -1.077 1.00 . A A . 17 LYS HG2 1 1 5 1614 1 1 18 LYS HG3 H 9.901 4.704 -2.820 1.00 . A A . 17 LYS HG3 1 1 5 1615 1 1 18 LYS HZ1 H 7.977 8.565 -3.228 1.00 . A A . 17 LYS HZ1 1 1 5 1616 1 1 18 LYS HZ3 H 8.059 8.804 -1.613 1.00 . A A . 17 LYS HZ3 1 1 5 1617 1 1 18 LYS N N 8.086 1.197 -1.644 1.00 . A A . 17 LYS N 1 1 5 1618 1 1 18 LYS NZ N 8.637 8.651 -2.447 1.00 . A A . 17 LYS NZ 1 1 5 1619 1 1 18 LYS O O 11.074 2.716 -0.207 1.00 . A A . 17 LYS O 1 1 5 1620 1 1 19 VAL C C 11.218 0.028 1.870 1.00 . A A . 18 VAL C 1 1 5 1621 1 1 19 VAL CA C 10.169 1.155 2.059 1.00 . A A . 18 VAL CA 1 1 5 1622 1 1 19 VAL CB C 9.160 0.999 3.248 1.00 . A A . 18 VAL CB 1 1 5 1623 1 1 19 VAL CG1 C 9.700 0.342 4.523 1.00 . A A . 18 VAL CG1 1 1 5 1624 1 1 19 VAL CG2 C 8.453 2.318 3.614 1.00 . A A . 18 VAL CG2 1 1 5 1625 1 1 19 VAL H H 8.751 0.793 0.425 1.00 . A A . 18 VAL H 1 1 5 1626 1 1 19 VAL HA H 10.745 2.035 2.255 1.00 . A A . 18 VAL HA 1 1 5 1627 1 1 19 VAL HB H 8.385 0.308 2.948 1.00 . A A . 18 VAL HB 1 1 5 1628 1 1 19 VAL HG11 H 10.054 -0.683 4.304 1.00 . A A . 18 VAL HG11 1 1 5 1629 1 1 19 VAL HG12 H 8.898 0.234 5.277 1.00 . A A . 18 VAL HG12 1 1 5 1630 1 1 19 VAL HG13 H 10.531 0.919 4.958 1.00 . A A . 18 VAL HG13 1 1 5 1631 1 1 19 VAL HG21 H 7.693 2.161 4.403 1.00 . A A . 18 VAL HG21 1 1 5 1632 1 1 19 VAL HG22 H 9.161 3.082 3.975 1.00 . A A . 18 VAL HG22 1 1 5 1633 1 1 19 VAL HG23 H 7.915 2.737 2.744 1.00 . A A . 18 VAL HG23 1 1 5 1634 1 1 19 VAL N N 9.477 1.429 0.773 1.00 . A A . 18 VAL N 1 1 5 1635 1 1 19 VAL O O 12.388 0.232 2.209 1.00 . A A . 18 VAL O 1 1 5 1636 1 1 20 LYS C C 12.783 -1.985 -0.062 1.00 . A A . 19 LYS C 1 1 5 1637 1 1 20 LYS CA C 11.717 -2.278 1.062 1.00 . A A . 19 LYS CA 1 1 5 1638 1 1 20 LYS CB C 10.864 -3.528 0.693 1.00 . A A . 19 LYS CB 1 1 5 1639 1 1 20 LYS CD C 10.937 -4.901 2.901 1.00 . A A . 19 LYS CD 1 1 5 1640 1 1 20 LYS CE C 10.105 -5.621 3.977 1.00 . A A . 19 LYS CE 1 1 5 1641 1 1 20 LYS CG C 10.065 -4.197 1.840 1.00 . A A . 19 LYS CG 1 1 5 1642 1 1 20 LYS H H 9.811 -1.186 1.118 1.00 . A A . 19 LYS H 1 1 5 1643 1 1 20 LYS HA H 12.266 -2.490 1.990 1.00 . A A . 19 LYS HA 1 1 5 1644 1 1 20 LYS HB2 H 10.162 -3.261 -0.122 1.00 . A A . 19 LYS HB2 1 1 5 1645 1 1 20 LYS HB3 H 11.511 -4.303 0.241 1.00 . A A . 19 LYS HB3 1 1 5 1646 1 1 20 LYS HD2 H 11.607 -5.627 2.402 1.00 . A A . 19 LYS HD2 1 1 5 1647 1 1 20 LYS HD3 H 11.601 -4.161 3.386 1.00 . A A . 19 LYS HD3 1 1 5 1648 1 1 20 LYS HE2 H 9.428 -4.909 4.483 1.00 . A A . 19 LYS HE2 1 1 5 1649 1 1 20 LYS HE3 H 9.461 -6.389 3.512 1.00 . A A . 19 LYS HE3 1 1 5 1650 1 1 20 LYS HG2 H 9.407 -3.453 2.327 1.00 . A A . 19 LYS HG2 1 1 5 1651 1 1 20 LYS HG3 H 9.377 -4.939 1.392 1.00 . A A . 19 LYS HG3 1 1 5 1652 1 1 20 LYS HZ1 H 11.597 -6.934 4.534 1.00 . A A . 19 LYS HZ1 1 1 5 1653 1 1 20 LYS HZ3 H 11.569 -5.568 5.431 1.00 . A A . 19 LYS HZ3 1 1 5 1654 1 1 20 LYS N N 10.805 -1.143 1.351 1.00 . A A . 19 LYS N 1 1 5 1655 1 1 20 LYS NZ N 10.963 -6.266 4.986 1.00 . A A . 19 LYS NZ 1 1 5 1656 1 1 20 LYS O O 13.708 -2.785 -0.234 1.00 . A A . 19 LYS O 1 1 5 1657 1 1 21 GLU C C 14.732 0.449 -1.274 1.00 . A A . 20 GLU C 1 1 5 1658 1 1 21 GLU CA C 13.594 -0.420 -1.853 1.00 . A A . 20 GLU CA 1 1 5 1659 1 1 21 GLU CB C 12.773 0.202 -3.000 1.00 . A A . 20 GLU CB 1 1 5 1660 1 1 21 GLU CD C 12.671 1.147 -5.371 1.00 . A A . 20 GLU CD 1 1 5 1661 1 1 21 GLU CG C 13.563 0.564 -4.273 1.00 . A A . 20 GLU CG 1 1 5 1662 1 1 21 GLU H H 11.998 -0.172 -0.423 1.00 . A A . 20 GLU H 1 1 5 1663 1 1 21 GLU HA H 14.049 -1.302 -2.247 1.00 . A A . 20 GLU HA 1 1 5 1664 1 1 21 GLU HB2 H 11.946 -0.483 -3.266 1.00 . A A . 20 GLU HB2 1 1 5 1665 1 1 21 GLU HB3 H 12.292 1.100 -2.601 1.00 . A A . 20 GLU HB3 1 1 5 1666 1 1 21 GLU HE2 H 12.404 -0.706 -5.904 1.00 . A A . 20 GLU HE2 1 1 5 1667 1 1 21 GLU HG2 H 14.349 1.303 -4.028 1.00 . A A . 20 GLU HG2 1 1 5 1668 1 1 21 GLU HG3 H 14.093 -0.326 -4.656 1.00 . A A . 20 GLU HG3 1 1 5 1669 1 1 21 GLU N N 12.659 -0.856 -0.802 1.00 . A A . 20 GLU N 1 1 5 1670 1 1 21 GLU O O 15.902 0.067 -1.288 1.00 . A A . 20 GLU O 1 1 5 1671 1 1 21 GLU OE1 O 12.469 2.353 -5.512 1.00 . A A . 20 GLU OE1 1 1 5 1672 1 1 21 GLU OE2 O 12.129 0.174 -6.172 1.00 . A A . 20 GLU OE2 1 1 5 1673 1 1 22 NH2 HN1 H 13.600 2.015 -1.122 1.00 . A A . 21 NH2 HN1 1 1 5 1674 1 1 22 NH2 HN2 H 14.341 1.310 0.322 1.00 . A A . 21 NH2 HN2 1 1 5 1675 1 1 22 NH2 N N 14.405 1.572 -0.663 1.00 . A A . 21 NH2 N 1 1 6 1676 1 1 2 GLU C C -13.018 -2.730 -2.033 1.00 . A A . 1 ACE C 1 1 6 1677 1 1 2 GLU CA C -14.080 -0.653 -1.166 1.00 . A A . 1 ACE CA 1 1 6 1678 1 1 2 GLU CB C -15.335 -0.443 -0.253 1.00 . A A . 1 ACE CB 1 1 6 1679 1 1 2 GLU CD C -16.851 -2.564 -0.439 1.00 . A A . 1 ACE CD 1 1 6 1680 1 1 2 GLU CG C -16.677 -1.063 -0.697 1.00 . A A . 1 ACE CG 1 1 6 1681 1 1 2 GLU H H -14.383 -2.719 -0.606 1.00 . A A . 1 ACE H 1 1 6 1682 1 1 2 GLU HA H -14.419 -0.422 -2.193 1.00 . A A . 1 ACE HA 1 1 6 1683 1 1 2 GLU HB2 H -15.091 -0.704 0.794 1.00 . A A . 1 ACE HB2 1 1 6 1684 1 1 2 GLU HB3 H -15.546 0.635 -0.217 1.00 . A A . 1 ACE HB3 1 1 6 1685 1 1 2 GLU HE2 H -17.204 -3.779 1.040 1.00 . A A . 1 ACE HE2 1 1 6 1686 1 1 2 GLU HG2 H -17.488 -0.523 -0.174 1.00 . A A . 1 ACE HG2 1 1 6 1687 1 1 2 GLU HG3 H -16.834 -0.841 -1.769 1.00 . A A . 1 ACE HG3 1 1 6 1688 1 1 2 GLU N N -13.727 -2.095 -1.085 1.00 . A A . 1 ACE N 1 1 6 1689 1 1 2 GLU O O -12.432 -2.160 -2.957 1.00 . A A . 1 ACE O 1 1 6 1690 1 1 2 GLU OE1 O -16.776 -3.417 -1.323 1.00 . A A . 1 ACE OE1 1 1 6 1691 1 1 2 GLU OE2 O -17.096 -2.839 0.882 1.00 . A A . 1 ACE OE2 1 1 6 1692 1 1 3 SER C C -11.098 2.104 0.985 1.00 . A A . 2 SER C 1 1 6 1693 1 1 3 SER CA C -12.149 2.561 -0.043 1.00 . A A . 2 SER CA 1 1 6 1694 1 1 3 SER CB C -12.875 3.830 0.419 1.00 . A A . 2 SER CB 1 1 6 1695 1 1 3 SER H H -14.171 1.725 -0.394 1.00 . A A . 2 SER H 1 1 6 1696 1 1 3 SER HA H -11.636 2.843 -0.962 1.00 . A A . 2 SER HA 1 1 6 1697 1 1 3 SER HB2 H -13.766 4.028 -0.192 1.00 . A A . 2 SER HB2 1 1 6 1698 1 1 3 SER HB3 H -13.250 3.667 1.431 1.00 . A A . 2 SER HB3 1 1 6 1699 1 1 3 SER HG H -11.739 5.070 -0.514 1.00 . A A . 2 SER HG 1 1 6 1700 1 1 3 SER N N -13.166 1.530 -0.395 1.00 . A A . 2 SER N 1 1 6 1701 1 1 3 SER O O -9.907 2.345 0.795 1.00 . A A . 2 SER O 1 1 6 1702 1 1 3 SER OG O -12.013 4.962 0.400 1.00 . A A . 2 SER OG 1 1 6 1703 1 1 4 ALA C C -9.955 -0.466 2.838 1.00 . A A . 3 ALA C 1 1 6 1704 1 1 4 ALA CA C -10.677 0.897 3.114 1.00 . A A . 3 ALA CA 1 1 6 1705 1 1 4 ALA CB C -11.448 0.870 4.431 1.00 . A A . 3 ALA CB 1 1 6 1706 1 1 4 ALA H H -12.596 1.437 2.064 1.00 . A A . 3 ALA H 1 1 6 1707 1 1 4 ALA HA H -9.834 1.597 3.152 1.00 . A A . 3 ALA HA 1 1 6 1708 1 1 4 ALA HB1 H -10.787 0.575 5.264 1.00 . A A . 3 ALA HB1 1 1 6 1709 1 1 4 ALA HB2 H -11.871 1.862 4.668 1.00 . A A . 3 ALA HB2 1 1 6 1710 1 1 4 ALA HB3 H -12.278 0.140 4.378 1.00 . A A . 3 ALA HB3 1 1 6 1711 1 1 4 ALA N N -11.572 1.457 2.064 1.00 . A A . 3 ALA N 1 1 6 1712 1 1 4 ALA O O -9.389 -1.122 3.717 1.00 . A A . 3 ALA O 1 1 6 1713 1 1 5 LYS C C -8.903 -1.688 -0.555 1.00 . A A . 4 LYS C 1 1 6 1714 1 1 5 LYS CA C -9.394 -2.004 0.918 1.00 . A A . 4 LYS CA 1 1 6 1715 1 1 5 LYS CB C -10.335 -3.228 1.012 1.00 . A A . 4 LYS CB 1 1 6 1716 1 1 5 LYS CD C -10.527 -5.839 0.894 1.00 . A A . 4 LYS CD 1 1 6 1717 1 1 5 LYS CE C -11.424 -6.163 2.108 1.00 . A A . 4 LYS CE 1 1 6 1718 1 1 5 LYS CG C -9.615 -4.596 0.998 1.00 . A A . 4 LYS CG 1 1 6 1719 1 1 5 LYS H H -10.600 -0.168 1.065 1.00 . A A . 4 LYS H 1 1 6 1720 1 1 5 LYS HA H -8.457 -2.131 1.485 1.00 . A A . 4 LYS HA 1 1 6 1721 1 1 5 LYS HB2 H -10.928 -3.163 1.942 1.00 . A A . 4 LYS HB2 1 1 6 1722 1 1 5 LYS HB3 H -11.070 -3.160 0.189 1.00 . A A . 4 LYS HB3 1 1 6 1723 1 1 5 LYS HD2 H -11.127 -5.797 -0.035 1.00 . A A . 4 LYS HD2 1 1 6 1724 1 1 5 LYS HD3 H -9.861 -6.710 0.743 1.00 . A A . 4 LYS HD3 1 1 6 1725 1 1 5 LYS HE2 H -11.715 -7.229 2.068 1.00 . A A . 4 LYS HE2 1 1 6 1726 1 1 5 LYS HE3 H -10.861 -6.045 3.052 1.00 . A A . 4 LYS HE3 1 1 6 1727 1 1 5 LYS HG2 H -8.913 -4.628 0.145 1.00 . A A . 4 LYS HG2 1 1 6 1728 1 1 5 LYS HG3 H -8.974 -4.683 1.895 1.00 . A A . 4 LYS HG3 1 1 6 1729 1 1 5 LYS HZ1 H -12.425 -4.358 2.204 1.00 . A A . 4 LYS HZ1 1 1 6 1730 1 1 5 LYS HZ3 H -13.197 -5.479 1.298 1.00 . A A . 4 LYS HZ3 1 1 6 1731 1 1 5 LYS N N -10.011 -0.830 1.566 1.00 . A A . 4 LYS N 1 1 6 1732 1 1 5 LYS NZ N -12.659 -5.357 2.163 1.00 . A A . 4 LYS NZ 1 1 6 1733 1 1 5 LYS O O -8.723 -2.572 -1.397 1.00 . A A . 4 LYS O 1 1 6 1734 1 1 6 HIS C C -7.075 1.210 -1.589 1.00 . A A . 5 HIS C 1 1 6 1735 1 1 6 HIS CA C -8.197 0.236 -2.057 1.00 . A A . 5 HIS CA 1 1 6 1736 1 1 6 HIS CB C -9.306 0.854 -2.935 1.00 . A A . 5 HIS CB 1 1 6 1737 1 1 6 HIS CD2 C -8.199 0.426 -5.238 1.00 . A A . 5 HIS CD2 1 1 6 1738 1 1 6 HIS CE1 C -8.215 2.389 -5.992 1.00 . A A . 5 HIS CE1 1 1 6 1739 1 1 6 HIS CG C -8.784 1.291 -4.298 1.00 . A A . 5 HIS CG 1 1 6 1740 1 1 6 HIS H H -9.274 0.156 -0.156 1.00 . A A . 5 HIS H 1 1 6 1741 1 1 6 HIS HA H -7.666 -0.551 -2.600 1.00 . A A . 5 HIS HA 1 1 6 1742 1 1 6 HIS HB2 H -10.110 0.111 -3.100 1.00 . A A . 5 HIS HB2 1 1 6 1743 1 1 6 HIS HB3 H -9.792 1.698 -2.408 1.00 . A A . 5 HIS HB3 1 1 6 1744 1 1 6 HIS HD2 H -8.058 -0.637 -5.107 1.00 . A A . 5 HIS HD2 1 1 6 1745 1 1 6 HIS HE1 H -8.050 3.222 -6.660 1.00 . A A . 5 HIS HE1 1 1 6 1746 1 1 6 HIS HE2 H -7.367 0.808 -7.224 1.00 . A A . 5 HIS HE2 1 1 6 1747 1 1 6 HIS N N -8.705 -0.388 -0.818 1.00 . A A . 5 HIS N 1 1 6 1748 1 1 6 HIS ND1 N -8.803 2.600 -4.768 1.00 . A A . 5 HIS ND1 1 1 6 1749 1 1 6 HIS NE2 N -7.824 1.131 -6.364 1.00 . A A . 5 HIS NE2 1 1 6 1750 1 1 6 HIS O O -6.000 1.203 -2.190 1.00 . A A . 5 HIS O 1 1 6 1751 1 1 7 MET C C -5.383 2.073 0.851 1.00 . A A . 6 MET C 1 1 6 1752 1 1 7 MET CA C -6.314 2.985 0.019 1.00 . A A . 6 MET CA 1 1 6 1753 1 1 7 MET CB C -6.924 4.162 0.825 1.00 . A A . 6 MET CB 1 1 6 1754 1 1 7 MET CE C -9.279 7.306 -0.624 1.00 . A A . 6 MET CE 1 1 6 1755 1 1 7 MET CG C -8.068 4.909 0.119 1.00 . A A . 6 MET CG 1 1 6 1756 1 1 7 MET H H -8.174 1.921 -0.033 1.00 . A A . 6 MET H 1 1 6 1757 1 1 7 MET HA H -5.694 3.356 -0.799 1.00 . A A . 6 MET HA 1 1 6 1758 1 1 7 MET HB2 H -7.293 3.815 1.810 1.00 . A A . 6 MET HB2 1 1 6 1759 1 1 7 MET HB3 H -6.115 4.877 1.061 1.00 . A A . 6 MET HB3 1 1 6 1760 1 1 7 MET HE1 H -9.125 7.013 -1.678 1.00 . A A . 6 MET HE1 1 1 6 1761 1 1 7 MET HE2 H -9.328 8.409 -0.579 1.00 . A A . 6 MET HE2 1 1 6 1762 1 1 7 MET HE3 H -10.254 6.907 -0.291 1.00 . A A . 6 MET HE3 1 1 6 1763 1 1 7 MET HG2 H -8.054 4.685 -0.963 1.00 . A A . 6 MET HG2 1 1 6 1764 1 1 7 MET HG3 H -9.046 4.541 0.481 1.00 . A A . 6 MET HG3 1 1 6 1765 1 1 7 MET N N -7.318 2.071 -0.564 1.00 . A A . 6 MET N 1 1 6 1766 1 1 7 MET O O -4.184 2.137 0.624 1.00 . A A . 6 MET O 1 1 6 1767 1 1 7 MET SD S -7.943 6.690 0.419 1.00 . A A . 6 MET SD 1 1 6 1768 1 1 8 PHE C C -4.376 -0.778 1.643 1.00 . A A . 7 PHE C 1 1 6 1769 1 1 8 PHE CA C -5.109 0.253 2.555 1.00 . A A . 7 PHE CA 1 1 6 1770 1 1 8 PHE CB C -6.047 -0.452 3.560 1.00 . A A . 7 PHE CB 1 1 6 1771 1 1 8 PHE CD1 C -5.349 0.044 5.950 1.00 . A A . 7 PHE CD1 1 1 6 1772 1 1 8 PHE CD2 C -7.238 1.239 5.032 1.00 . A A . 7 PHE CD2 1 1 6 1773 1 1 8 PHE CE1 C -5.490 0.743 7.144 1.00 . A A . 7 PHE CE1 1 1 6 1774 1 1 8 PHE CE2 C -7.379 1.936 6.227 1.00 . A A . 7 PHE CE2 1 1 6 1775 1 1 8 PHE CG C -6.222 0.290 4.887 1.00 . A A . 7 PHE CG 1 1 6 1776 1 1 8 PHE CZ C -6.505 1.689 7.285 1.00 . A A . 7 PHE CZ 1 1 6 1777 1 1 8 PHE H H -6.921 1.118 1.720 1.00 . A A . 7 PHE H 1 1 6 1778 1 1 8 PHE HA H -4.338 0.825 3.077 1.00 . A A . 7 PHE HA 1 1 6 1779 1 1 8 PHE HB2 H -7.021 -0.563 3.077 1.00 . A A . 7 PHE HB2 1 1 6 1780 1 1 8 PHE HB3 H -5.745 -1.500 3.743 1.00 . A A . 7 PHE HB3 1 1 6 1781 1 1 8 PHE HD1 H -4.552 -0.680 5.851 1.00 . A A . 7 PHE HD1 1 1 6 1782 1 1 8 PHE HD2 H -7.913 1.452 4.216 1.00 . A A . 7 PHE HD2 1 1 6 1783 1 1 8 PHE HE1 H -4.799 0.546 7.947 1.00 . A A . 7 PHE HE1 1 1 6 1784 1 1 8 PHE HE2 H -8.164 2.670 6.309 1.00 . A A . 7 PHE HE2 1 1 6 1785 1 1 8 PHE HZ H -6.612 2.233 8.212 1.00 . A A . 7 PHE HZ 1 1 6 1786 1 1 8 PHE N N -5.907 1.221 1.764 1.00 . A A . 7 PHE N 1 1 6 1787 1 1 8 PHE O O -3.272 -1.200 1.993 1.00 . A A . 7 PHE O 1 1 6 1788 1 1 9 ASP C C -3.101 -1.418 -1.100 1.00 . A A . 8 ASP C 1 1 6 1789 1 1 9 ASP CA C -4.353 -2.116 -0.479 1.00 . A A . 8 ASP CA 1 1 6 1790 1 1 9 ASP CB C -5.379 -2.501 -1.570 1.00 . A A . 8 ASP CB 1 1 6 1791 1 1 9 ASP CG C -4.958 -3.665 -2.479 1.00 . A A . 8 ASP CG 1 1 6 1792 1 1 9 ASP H H -5.989 -0.929 0.501 1.00 . A A . 8 ASP H 1 1 6 1793 1 1 9 ASP HA H -4.092 -3.055 0.046 1.00 . A A . 8 ASP HA 1 1 6 1794 1 1 9 ASP HB2 H -6.321 -2.764 -1.079 1.00 . A A . 8 ASP HB2 1 1 6 1795 1 1 9 ASP HB3 H -5.632 -1.627 -2.198 1.00 . A A . 8 ASP HB3 1 1 6 1796 1 1 9 ASP HD2 H -5.664 -4.803 -1.067 1.00 . A A . 8 ASP HD2 1 1 6 1797 1 1 9 ASP N N -4.989 -1.183 0.502 1.00 . A A . 8 ASP N 1 1 6 1798 1 1 9 ASP O O -2.019 -2.007 -1.117 1.00 . A A . 8 ASP O 1 1 6 1799 1 1 9 ASP OD1 O -4.420 -3.507 -3.575 1.00 . A A . 8 ASP OD1 1 1 6 1800 1 1 9 ASP OD2 O -5.247 -4.886 -1.927 1.00 . A A . 8 ASP OD2 1 1 6 1801 1 1 10 ARG C C -1.126 0.970 -1.076 1.00 . A A . 9 ARG C 1 1 6 1802 1 1 10 ARG CA C -2.195 0.678 -2.149 1.00 . A A . 9 ARG CA 1 1 6 1803 1 1 10 ARG CB C -2.726 1.984 -2.779 1.00 . A A . 9 ARG CB 1 1 6 1804 1 1 10 ARG CD C -4.092 3.098 -4.654 1.00 . A A . 9 ARG CD 1 1 6 1805 1 1 10 ARG CG C -3.444 1.798 -4.135 1.00 . A A . 9 ARG CG 1 1 6 1806 1 1 10 ARG CZ C -4.180 3.097 -7.170 1.00 . A A . 9 ARG CZ 1 1 6 1807 1 1 10 ARG H H -4.256 0.169 -1.497 1.00 . A A . 9 ARG H 1 1 6 1808 1 1 10 ARG HA H -1.696 0.066 -2.902 1.00 . A A . 9 ARG HA 1 1 6 1809 1 1 10 ARG HB2 H -3.390 2.501 -2.060 1.00 . A A . 9 ARG HB2 1 1 6 1810 1 1 10 ARG HB3 H -1.877 2.678 -2.934 1.00 . A A . 9 ARG HB3 1 1 6 1811 1 1 10 ARG HD2 H -4.855 3.442 -3.931 1.00 . A A . 9 ARG HD2 1 1 6 1812 1 1 10 ARG HD3 H -3.348 3.917 -4.698 1.00 . A A . 9 ARG HD3 1 1 6 1813 1 1 10 ARG HG2 H -2.717 1.416 -4.877 1.00 . A A . 9 ARG HG2 1 1 6 1814 1 1 10 ARG HG3 H -4.218 1.012 -4.047 1.00 . A A . 9 ARG HG3 1 1 6 1815 1 1 10 ARG HH11 H -2.363 3.625 -6.487 1.00 . A A . 9 ARG HH11 1 1 6 1816 1 1 10 ARG HH12 H -2.591 3.580 -8.307 1.00 . A A . 9 ARG HH12 1 1 6 1817 1 1 10 ARG HH21 H -5.886 2.601 -8.094 1.00 . A A . 9 ARG HH21 1 1 6 1818 1 1 10 ARG HH22 H -4.453 3.039 -9.153 1.00 . A A . 9 ARG HH22 1 1 6 1819 1 1 10 ARG N N -3.282 -0.159 -1.582 1.00 . A A . 9 ARG N 1 1 6 1820 1 1 10 ARG NE N -4.758 2.910 -5.967 1.00 . A A . 9 ARG NE 1 1 6 1821 1 1 10 ARG NH1 N -2.914 3.473 -7.339 1.00 . A A . 9 ARG NH1 1 1 6 1822 1 1 10 ARG NH2 N -4.914 2.891 -8.248 1.00 . A A . 9 ARG NH2 1 1 6 1823 1 1 10 ARG O O 0.028 0.595 -1.271 1.00 . A A . 9 ARG O 1 1 6 1824 1 1 11 ILE C C 0.266 0.640 1.639 1.00 . A A . 10 ILE C 1 1 6 1825 1 1 11 ILE CA C -0.607 1.873 1.223 1.00 . A A . 10 ILE CA 1 1 6 1826 1 1 11 ILE CB C -1.531 2.466 2.330 1.00 . A A . 10 ILE CB 1 1 6 1827 1 1 11 ILE CD1 C -3.207 4.417 2.701 1.00 . A A . 10 ILE CD1 1 1 6 1828 1 1 11 ILE CG1 C -1.978 3.906 1.955 1.00 . A A . 10 ILE CG1 1 1 6 1829 1 1 11 ILE CG2 C -1.010 2.397 3.776 1.00 . A A . 10 ILE CG2 1 1 6 1830 1 1 11 ILE H H -2.514 1.827 0.148 1.00 . A A . 10 ILE H 1 1 6 1831 1 1 11 ILE HA H 0.081 2.655 0.895 1.00 . A A . 10 ILE HA 1 1 6 1832 1 1 11 ILE HB H -2.416 1.826 2.346 1.00 . A A . 10 ILE HB 1 1 6 1833 1 1 11 ILE HD11 H -2.975 4.625 3.757 1.00 . A A . 10 ILE HD11 1 1 6 1834 1 1 11 ILE HD12 H -3.584 5.337 2.224 1.00 . A A . 10 ILE HD12 1 1 6 1835 1 1 11 ILE HD13 H -4.020 3.671 2.674 1.00 . A A . 10 ILE HD13 1 1 6 1836 1 1 11 ILE HG12 H -1.128 4.598 2.052 1.00 . A A . 10 ILE HG12 1 1 6 1837 1 1 11 ILE HG13 H -2.247 3.938 0.886 1.00 . A A . 10 ILE HG13 1 1 6 1838 1 1 11 ILE HG21 H -0.818 1.347 4.066 1.00 . A A . 10 ILE HG21 1 1 6 1839 1 1 11 ILE HG22 H -0.082 2.976 3.901 1.00 . A A . 10 ILE HG22 1 1 6 1840 1 1 11 ILE HG23 H -1.769 2.770 4.487 1.00 . A A . 10 ILE HG23 1 1 6 1841 1 1 11 ILE N N -1.510 1.579 0.062 1.00 . A A . 10 ILE N 1 1 6 1842 1 1 11 ILE O O 1.467 0.780 1.886 1.00 . A A . 10 ILE O 1 1 6 1843 1 1 12 GLY C C 1.411 -2.294 1.038 1.00 . A A . 11 GLY C 1 1 6 1844 1 1 12 GLY CA C 0.280 -1.831 1.998 1.00 . A A . 11 GLY CA 1 1 6 1845 1 1 12 GLY H H -1.388 -0.441 1.547 1.00 . A A . 11 GLY H 1 1 6 1846 1 1 12 GLY HA2 H 0.680 -1.758 3.021 1.00 . A A . 11 GLY HA2 1 1 6 1847 1 1 12 GLY HA3 H -0.495 -2.609 1.972 1.00 . A A . 11 GLY HA3 1 1 6 1848 1 1 12 GLY N N -0.378 -0.542 1.692 1.00 . A A . 11 GLY N 1 1 6 1849 1 1 12 GLY O O 2.183 -3.184 1.397 1.00 . A A . 11 GLY O 1 1 6 1850 1 1 13 LYS C C 2.807 -0.710 -2.061 1.00 . A A . 12 LYS C 1 1 6 1851 1 1 13 LYS CA C 2.447 -2.000 -1.238 1.00 . A A . 12 LYS CA 1 1 6 1852 1 1 13 LYS CB C 2.132 -3.268 -2.086 1.00 . A A . 12 LYS CB 1 1 6 1853 1 1 13 LYS CD C 0.550 -4.531 -3.690 1.00 . A A . 12 LYS CD 1 1 6 1854 1 1 13 LYS CE C -0.800 -4.496 -4.432 1.00 . A A . 12 LYS CE 1 1 6 1855 1 1 13 LYS CG C 0.821 -3.232 -2.908 1.00 . A A . 12 LYS CG 1 1 6 1856 1 1 13 LYS H H 0.569 -1.223 -0.386 1.00 . A A . 12 LYS H 1 1 6 1857 1 1 13 LYS HA H 3.393 -2.151 -0.694 1.00 . A A . 12 LYS HA 1 1 6 1858 1 1 13 LYS HB2 H 2.982 -3.461 -2.768 1.00 . A A . 12 LYS HB2 1 1 6 1859 1 1 13 LYS HB3 H 2.112 -4.147 -1.413 1.00 . A A . 12 LYS HB3 1 1 6 1860 1 1 13 LYS HD2 H 1.373 -4.705 -4.410 1.00 . A A . 12 LYS HD2 1 1 6 1861 1 1 13 LYS HD3 H 0.568 -5.391 -2.993 1.00 . A A . 12 LYS HD3 1 1 6 1862 1 1 13 LYS HE2 H -1.629 -4.330 -3.719 1.00 . A A . 12 LYS HE2 1 1 6 1863 1 1 13 LYS HE3 H -0.828 -3.649 -5.143 1.00 . A A . 12 LYS HE3 1 1 6 1864 1 1 13 LYS HG2 H -0.026 -3.043 -2.225 1.00 . A A . 12 LYS HG2 1 1 6 1865 1 1 13 LYS HG3 H 0.840 -2.375 -3.607 1.00 . A A . 12 LYS HG3 1 1 6 1866 1 1 13 LYS HZ1 H -1.026 -6.545 -4.522 1.00 . A A . 12 LYS HZ1 1 1 6 1867 1 1 13 LYS HZ3 H -0.287 -5.918 -5.838 1.00 . A A . 12 LYS HZ3 1 1 6 1868 1 1 13 LYS N N 1.424 -1.753 -0.193 1.00 . A A . 12 LYS N 1 1 6 1869 1 1 13 LYS NZ N -1.045 -5.748 -5.168 1.00 . A A . 12 LYS NZ 1 1 6 1870 1 1 13 LYS O O 3.015 -0.748 -3.277 1.00 . A A . 12 LYS O 1 1 6 1871 1 1 14 ASP C C 4.373 2.198 -0.875 1.00 . A A . 13 ASP C 1 1 6 1872 1 1 14 ASP CA C 3.314 1.757 -1.869 1.00 . A A . 13 ASP CA 1 1 6 1873 1 1 14 ASP CB C 2.148 2.726 -2.056 1.00 . A A . 13 ASP CB 1 1 6 1874 1 1 14 ASP CG C 2.451 3.932 -2.953 1.00 . A A . 13 ASP CG 1 1 6 1875 1 1 14 ASP H H 2.531 0.397 -0.397 1.00 . A A . 13 ASP H 1 1 6 1876 1 1 14 ASP HA H 3.870 1.629 -2.783 1.00 . A A . 13 ASP HA 1 1 6 1877 1 1 14 ASP HB2 H 1.283 2.167 -2.420 1.00 . A A . 13 ASP HB2 1 1 6 1878 1 1 14 ASP HB3 H 1.844 3.069 -1.067 1.00 . A A . 13 ASP HB3 1 1 6 1879 1 1 14 ASP HD2 H 2.371 4.433 -4.832 1.00 . A A . 13 ASP HD2 1 1 6 1880 1 1 14 ASP N N 2.929 0.426 -1.345 1.00 . A A . 13 ASP N 1 1 6 1881 1 1 14 ASP O O 5.505 2.412 -1.307 1.00 . A A . 13 ASP O 1 1 6 1882 1 1 14 ASP OD1 O 2.895 4.998 -2.528 1.00 . A A . 13 ASP OD1 1 1 6 1883 1 1 14 ASP OD2 O 2.177 3.677 -4.273 1.00 . A A . 13 ASP OD2 1 1 6 1884 1 1 15 VAL C C 5.336 1.530 2.345 1.00 . A A . 14 VAL C 1 1 6 1885 1 1 15 VAL CA C 5.026 2.776 1.434 1.00 . A A . 14 VAL CA 1 1 6 1886 1 1 15 VAL CB C 4.781 4.114 2.139 1.00 . A A . 14 VAL CB 1 1 6 1887 1 1 15 VAL CG1 C 4.761 5.251 1.106 1.00 . A A . 14 VAL CG1 1 1 6 1888 1 1 15 VAL CG2 C 3.515 4.107 3.015 1.00 . A A . 14 VAL CG2 1 1 6 1889 1 1 15 VAL H H 3.089 2.073 0.652 1.00 . A A . 14 VAL H 1 1 6 1890 1 1 15 VAL HA H 5.981 2.895 0.896 1.00 . A A . 14 VAL HA 1 1 6 1891 1 1 15 VAL HB H 5.678 4.263 2.763 1.00 . A A . 14 VAL HB 1 1 6 1892 1 1 15 VAL HG11 H 4.716 6.235 1.591 1.00 . A A . 14 VAL HG11 1 1 6 1893 1 1 15 VAL HG12 H 5.669 5.207 0.474 1.00 . A A . 14 VAL HG12 1 1 6 1894 1 1 15 VAL HG13 H 3.894 5.148 0.424 1.00 . A A . 14 VAL HG13 1 1 6 1895 1 1 15 VAL HG21 H 3.383 5.067 3.538 1.00 . A A . 14 VAL HG21 1 1 6 1896 1 1 15 VAL HG22 H 3.565 3.310 3.779 1.00 . A A . 14 VAL HG22 1 1 6 1897 1 1 15 VAL HG23 H 2.613 3.911 2.406 1.00 . A A . 14 VAL HG23 1 1 6 1898 1 1 15 VAL N N 4.008 2.430 0.404 1.00 . A A . 14 VAL N 1 1 6 1899 1 1 15 VAL O O 5.380 1.505 3.576 1.00 . A A . 14 VAL O 1 1 6 1900 1 1 16 TYR C C 6.888 -1.184 0.584 1.00 . A A . 15 TYR C 1 1 6 1901 1 1 16 TYR CA C 6.000 -0.857 1.827 1.00 . A A . 15 TYR CA 1 1 6 1902 1 1 16 TYR CB C 4.856 -1.845 2.112 1.00 . A A . 15 TYR CB 1 1 6 1903 1 1 16 TYR CD1 C 5.941 -3.649 3.542 1.00 . A A . 15 TYR CD1 1 1 6 1904 1 1 16 TYR CD2 C 5.353 -4.198 1.264 1.00 . A A . 15 TYR CD2 1 1 6 1905 1 1 16 TYR CE1 C 6.528 -4.903 3.693 1.00 . A A . 15 TYR CE1 1 1 6 1906 1 1 16 TYR CE2 C 5.943 -5.450 1.415 1.00 . A A . 15 TYR CE2 1 1 6 1907 1 1 16 TYR CG C 5.350 -3.287 2.327 1.00 . A A . 15 TYR CG 1 1 6 1908 1 1 16 TYR CZ C 6.530 -5.804 2.629 1.00 . A A . 15 TYR CZ 1 1 6 1909 1 1 16 TYR H H 5.168 0.800 0.624 1.00 . A A . 15 TYR H 1 1 6 1910 1 1 16 TYR HA H 6.652 -0.796 2.706 1.00 . A A . 15 TYR HA 1 1 6 1911 1 1 16 TYR HB2 H 4.277 -1.509 2.993 1.00 . A A . 15 TYR HB2 1 1 6 1912 1 1 16 TYR HB3 H 4.150 -1.790 1.273 1.00 . A A . 15 TYR HB3 1 1 6 1913 1 1 16 TYR HD1 H 5.996 -2.938 4.353 1.00 . A A . 15 TYR HD1 1 1 6 1914 1 1 16 TYR HD2 H 4.952 -3.920 0.298 1.00 . A A . 15 TYR HD2 1 1 6 1915 1 1 16 TYR HE1 H 7.005 -5.153 4.629 1.00 . A A . 15 TYR HE1 1 1 6 1916 1 1 16 TYR HE2 H 5.967 -6.129 0.577 1.00 . A A . 15 TYR HE2 1 1 6 1917 1 1 16 TYR HH H 7.056 -7.511 1.941 1.00 . A A . 15 TYR HH 1 1 6 1918 1 1 16 TYR N N 5.597 0.519 1.537 1.00 . A A . 15 TYR N 1 1 6 1919 1 1 16 TYR O O 7.963 -1.748 0.788 1.00 . A A . 15 TYR O 1 1 6 1920 1 1 16 TYR OH O 7.137 -7.027 2.766 1.00 . A A . 15 TYR OH 1 1 6 1921 1 1 17 ASP C C 8.406 -0.069 -1.913 1.00 . A A . 16 ASP C 1 1 6 1922 1 1 17 ASP CA C 7.274 -1.146 -1.888 1.00 . A A . 16 ASP CA 1 1 6 1923 1 1 17 ASP CB C 6.415 -1.270 -3.154 1.00 . A A . 16 ASP CB 1 1 6 1924 1 1 17 ASP CG C 7.166 -1.735 -4.409 1.00 . A A . 16 ASP CG 1 1 6 1925 1 1 17 ASP H H 5.597 -0.334 -0.698 1.00 . A A . 16 ASP H 1 1 6 1926 1 1 17 ASP HA H 7.779 -2.087 -1.728 1.00 . A A . 16 ASP HA 1 1 6 1927 1 1 17 ASP HB2 H 5.574 -1.969 -2.979 1.00 . A A . 16 ASP HB2 1 1 6 1928 1 1 17 ASP HB3 H 5.956 -0.295 -3.325 1.00 . A A . 16 ASP HB3 1 1 6 1929 1 1 17 ASP HD2 H 7.409 0.164 -4.761 1.00 . A A . 16 ASP HD2 1 1 6 1930 1 1 17 ASP N N 6.440 -0.925 -0.682 1.00 . A A . 16 ASP N 1 1 6 1931 1 1 17 ASP O O 9.554 -0.432 -2.183 1.00 . A A . 16 ASP O 1 1 6 1932 1 1 17 ASP OD1 O 7.326 -2.919 -4.702 1.00 . A A . 16 ASP OD1 1 1 6 1933 1 1 17 ASP OD2 O 7.634 -0.682 -5.154 1.00 . A A . 16 ASP OD2 1 1 6 1934 1 1 18 LYS C C 10.009 2.144 -0.265 1.00 . A A . 17 LYS C 1 1 6 1935 1 1 18 LYS CA C 9.124 2.298 -1.574 1.00 . A A . 17 LYS CA 1 1 6 1936 1 1 18 LYS CB C 8.458 3.701 -1.611 1.00 . A A . 17 LYS CB 1 1 6 1937 1 1 18 LYS CD C 6.927 5.373 -2.839 1.00 . A A . 17 LYS CD 1 1 6 1938 1 1 18 LYS CE C 6.122 5.731 -4.104 1.00 . A A . 17 LYS CE 1 1 6 1939 1 1 18 LYS CG C 7.754 4.072 -2.939 1.00 . A A . 17 LYS CG 1 1 6 1940 1 1 18 LYS H H 7.151 1.417 -1.290 1.00 . A A . 17 LYS H 1 1 6 1941 1 1 18 LYS HA H 9.767 2.194 -2.457 1.00 . A A . 17 LYS HA 1 1 6 1942 1 1 18 LYS HB2 H 7.743 3.789 -0.770 1.00 . A A . 17 LYS HB2 1 1 6 1943 1 1 18 LYS HB3 H 9.224 4.475 -1.411 1.00 . A A . 17 LYS HB3 1 1 6 1944 1 1 18 LYS HD2 H 6.209 5.271 -2.003 1.00 . A A . 17 LYS HD2 1 1 6 1945 1 1 18 LYS HD3 H 7.581 6.220 -2.554 1.00 . A A . 17 LYS HD3 1 1 6 1946 1 1 18 LYS HE2 H 5.491 4.877 -4.415 1.00 . A A . 17 LYS HE2 1 1 6 1947 1 1 18 LYS HE3 H 5.417 6.548 -3.866 1.00 . A A . 17 LYS HE3 1 1 6 1948 1 1 18 LYS HG2 H 8.511 4.164 -3.741 1.00 . A A . 17 LYS HG2 1 1 6 1949 1 1 18 LYS HG3 H 7.086 3.250 -3.256 1.00 . A A . 17 LYS HG3 1 1 6 1950 1 1 18 LYS HZ1 H 7.543 6.962 -4.960 1.00 . A A . 17 LYS HZ1 1 1 6 1951 1 1 18 LYS HZ3 H 7.631 5.414 -5.479 1.00 . A A . 17 LYS HZ3 1 1 6 1952 1 1 18 LYS N N 8.097 1.227 -1.651 1.00 . A A . 17 LYS N 1 1 6 1953 1 1 18 LYS NZ N 6.968 6.158 -5.235 1.00 . A A . 17 LYS NZ 1 1 6 1954 1 1 18 LYS O O 11.096 2.722 -0.192 1.00 . A A . 17 LYS O 1 1 6 1955 1 1 19 VAL C C 11.235 -0.096 1.821 1.00 . A A . 18 VAL C 1 1 6 1956 1 1 19 VAL CA C 10.222 1.061 2.023 1.00 . A A . 18 VAL CA 1 1 6 1957 1 1 19 VAL CB C 9.215 0.922 3.216 1.00 . A A . 18 VAL CB 1 1 6 1958 1 1 19 VAL CG1 C 9.747 0.248 4.486 1.00 . A A . 18 VAL CG1 1 1 6 1959 1 1 19 VAL CG2 C 8.537 2.254 3.591 1.00 . A A . 18 VAL CG2 1 1 6 1960 1 1 19 VAL H H 8.787 0.752 0.394 1.00 . A A . 18 VAL H 1 1 6 1961 1 1 19 VAL HA H 10.828 1.919 2.222 1.00 . A A . 18 VAL HA 1 1 6 1962 1 1 19 VAL HB H 8.425 0.249 2.916 1.00 . A A . 18 VAL HB 1 1 6 1963 1 1 19 VAL HG11 H 10.591 0.806 4.920 1.00 . A A . 18 VAL HG11 1 1 6 1964 1 1 19 VAL HG12 H 10.077 -0.783 4.261 1.00 . A A . 18 VAL HG12 1 1 6 1965 1 1 19 VAL HG13 H 8.944 0.154 5.242 1.00 . A A . 18 VAL HG13 1 1 6 1966 1 1 19 VAL HG21 H 9.264 3.003 3.948 1.00 . A A . 18 VAL HG21 1 1 6 1967 1 1 19 VAL HG22 H 7.781 2.109 4.385 1.00 . A A . 18 VAL HG22 1 1 6 1968 1 1 19 VAL HG23 H 8.000 2.685 2.726 1.00 . A A . 18 VAL HG23 1 1 6 1969 1 1 19 VAL N N 9.528 1.368 0.746 1.00 . A A . 18 VAL N 1 1 6 1970 1 1 19 VAL O O 12.412 0.067 2.160 1.00 . A A . 18 VAL O 1 1 6 1971 1 1 20 LYS C C 12.753 -2.128 -0.112 1.00 . A A . 19 LYS C 1 1 6 1972 1 1 20 LYS CA C 11.660 -2.412 0.991 1.00 . A A . 19 LYS CA 1 1 6 1973 1 1 20 LYS CB C 10.713 -3.583 0.608 1.00 . A A . 19 LYS CB 1 1 6 1974 1 1 20 LYS CD C 10.303 -6.105 0.373 1.00 . A A . 19 LYS CD 1 1 6 1975 1 1 20 LYS CE C 10.917 -7.516 0.412 1.00 . A A . 19 LYS CE 1 1 6 1976 1 1 20 LYS CG C 11.343 -4.993 0.622 1.00 . A A . 19 LYS CG 1 1 6 1977 1 1 20 LYS H H 9.791 -1.260 1.054 1.00 . A A . 19 LYS H 1 1 6 1978 1 1 20 LYS HA H 12.163 -2.674 1.934 1.00 . A A . 19 LYS HA 1 1 6 1979 1 1 20 LYS HB2 H 9.857 -3.608 1.313 1.00 . A A . 19 LYS HB2 1 1 6 1980 1 1 20 LYS HB3 H 10.263 -3.386 -0.385 1.00 . A A . 19 LYS HB3 1 1 6 1981 1 1 20 LYS HD2 H 9.499 -6.031 1.131 1.00 . A A . 19 LYS HD2 1 1 6 1982 1 1 20 LYS HD3 H 9.813 -5.937 -0.605 1.00 . A A . 19 LYS HD3 1 1 6 1983 1 1 20 LYS HE2 H 11.707 -7.615 -0.356 1.00 . A A . 19 LYS HE2 1 1 6 1984 1 1 20 LYS HE3 H 11.405 -7.699 1.387 1.00 . A A . 19 LYS HE3 1 1 6 1985 1 1 20 LYS HG2 H 12.140 -5.056 -0.142 1.00 . A A . 19 LYS HG2 1 1 6 1986 1 1 20 LYS HG3 H 11.840 -5.164 1.596 1.00 . A A . 19 LYS HG3 1 1 6 1987 1 1 20 LYS HZ1 H 10.318 -9.485 0.249 1.00 . A A . 19 LYS HZ1 1 1 6 1988 1 1 20 LYS HZ3 H 9.189 -8.519 0.931 1.00 . A A . 19 LYS HZ3 1 1 6 1989 1 1 20 LYS N N 10.785 -1.250 1.293 1.00 . A A . 19 LYS N 1 1 6 1990 1 1 20 LYS NZ N 9.894 -8.553 0.186 1.00 . A A . 19 LYS NZ 1 1 6 1991 1 1 20 LYS O O 13.693 -2.915 -0.252 1.00 . A A . 19 LYS O 1 1 6 1992 1 1 21 GLU C C 14.724 0.281 -1.317 1.00 . A A . 20 GLU C 1 1 6 1993 1 1 21 GLU CA C 13.579 -0.574 -1.906 1.00 . A A . 20 GLU CA 1 1 6 1994 1 1 21 GLU CB C 12.768 0.065 -3.052 1.00 . A A . 20 GLU CB 1 1 6 1995 1 1 21 GLU CD C 14.134 -0.684 -5.117 1.00 . A A . 20 GLU CD 1 1 6 1996 1 1 21 GLU CG C 13.546 0.482 -4.315 1.00 . A A . 20 GLU CG 1 1 6 1997 1 1 21 GLU H H 11.974 -0.315 -0.497 1.00 . A A . 20 GLU H 1 1 6 1998 1 1 21 GLU HA H 14.028 -1.452 -2.312 1.00 . A A . 20 GLU HA 1 1 6 1999 1 1 21 GLU HB2 H 11.938 -0.606 -3.342 1.00 . A A . 20 GLU HB2 1 1 6 2000 1 1 21 GLU HB3 H 12.281 0.954 -2.640 1.00 . A A . 20 GLU HB3 1 1 6 2001 1 1 21 GLU HE2 H 15.748 -0.364 -4.077 1.00 . A A . 20 GLU HE2 1 1 6 2002 1 1 21 GLU HG2 H 12.860 1.050 -4.969 1.00 . A A . 20 GLU HG2 1 1 6 2003 1 1 21 GLU HG3 H 14.343 1.198 -4.039 1.00 . A A . 20 GLU HG3 1 1 6 2004 1 1 21 GLU N N 12.629 -1.010 -0.870 1.00 . A A . 20 GLU N 1 1 6 2005 1 1 21 GLU O O 15.892 -0.105 -1.346 1.00 . A A . 20 GLU O 1 1 6 2006 1 1 21 GLU OE1 O 13.504 -1.302 -5.974 1.00 . A A . 20 GLU OE1 1 1 6 2007 1 1 21 GLU OE2 O 15.432 -0.954 -4.766 1.00 . A A . 20 GLU OE2 1 1 6 2008 1 1 22 NH2 HN1 H 13.605 1.854 -1.141 1.00 . A A . 21 NH2 HN1 1 1 6 2009 1 1 22 NH2 HN2 H 14.332 1.117 0.294 1.00 . A A . 21 NH2 HN2 1 1 6 2010 1 1 22 NH2 N N 14.403 1.395 -0.687 1.00 . A A . 21 NH2 N 1 1 7 2011 1 1 2 GLU C C -13.050 -2.646 -2.029 1.00 . A A . 1 ACE C 1 1 7 2012 1 1 2 GLU CA C -14.095 -0.563 -1.154 1.00 . A A . 1 ACE CA 1 1 7 2013 1 1 2 GLU CB C -15.337 -0.346 -0.226 1.00 . A A . 1 ACE CB 1 1 7 2014 1 1 2 GLU CD C -16.873 -2.451 -0.401 1.00 . A A . 1 ACE CD 1 1 7 2015 1 1 2 GLU CG C -16.692 -0.950 -0.651 1.00 . A A . 1 ACE CG 1 1 7 2016 1 1 2 GLU H H -14.401 -2.628 -0.587 1.00 . A A . 1 ACE H 1 1 7 2017 1 1 2 GLU HA H -14.446 -0.329 -2.177 1.00 . A A . 1 ACE HA 1 1 7 2018 1 1 2 GLU HB2 H -15.084 -0.601 0.820 1.00 . A A . 1 ACE HB2 1 1 7 2019 1 1 2 GLU HB3 H -15.541 0.733 -0.181 1.00 . A A . 1 ACE HB3 1 1 7 2020 1 1 2 GLU HE2 H -17.108 -1.940 1.463 1.00 . A A . 1 ACE HE2 1 1 7 2021 1 1 2 GLU HG2 H -17.489 -0.407 -0.111 1.00 . A A . 1 ACE HG2 1 1 7 2022 1 1 2 GLU HG3 H -16.864 -0.719 -1.719 1.00 . A A . 1 ACE HG3 1 1 7 2023 1 1 2 GLU N N -13.749 -2.007 -1.076 1.00 . A A . 1 ACE N 1 1 7 2024 1 1 2 GLU O O -12.479 -2.081 -2.965 1.00 . A A . 1 ACE O 1 1 7 2025 1 1 2 GLU OE1 O -16.818 -3.298 -1.292 1.00 . A A . 1 ACE OE1 1 1 7 2026 1 1 2 GLU OE2 O -17.101 -2.733 0.922 1.00 . A A . 1 ACE OE2 1 1 7 2027 1 1 3 SER C C -11.077 2.165 0.976 1.00 . A A . 2 SER C 1 1 7 2028 1 1 3 SER CA C -12.125 2.636 -0.049 1.00 . A A . 2 SER CA 1 1 7 2029 1 1 3 SER CB C -12.827 3.919 0.408 1.00 . A A . 2 SER CB 1 1 7 2030 1 1 3 SER H H -14.159 1.821 -0.383 1.00 . A A . 2 SER H 1 1 7 2031 1 1 3 SER HA H -11.613 2.905 -0.973 1.00 . A A . 2 SER HA 1 1 7 2032 1 1 3 SER HB2 H -13.716 4.128 -0.203 1.00 . A A . 2 SER HB2 1 1 7 2033 1 1 3 SER HB3 H -13.204 3.767 1.420 1.00 . A A . 2 SER HB3 1 1 7 2034 1 1 3 SER HG H -11.670 5.134 -0.533 1.00 . A A . 2 SER HG 1 1 7 2035 1 1 3 SER N N -13.156 1.615 -0.390 1.00 . A A . 2 SER N 1 1 7 2036 1 1 3 SER O O -9.882 2.374 0.772 1.00 . A A . 2 SER O 1 1 7 2037 1 1 3 SER OG O -11.945 5.036 0.381 1.00 . A A . 2 SER OG 1 1 7 2038 1 1 4 ALA C C -9.959 -0.397 2.839 1.00 . A A . 3 ALA C 1 1 7 2039 1 1 4 ALA CA C -10.663 0.974 3.115 1.00 . A A . 3 ALA CA 1 1 7 2040 1 1 4 ALA CB C -11.428 0.961 4.436 1.00 . A A . 3 ALA CB 1 1 7 2041 1 1 4 ALA H H -12.580 1.540 2.072 1.00 . A A . 3 ALA H 1 1 7 2042 1 1 4 ALA HA H -9.810 1.663 3.146 1.00 . A A . 3 ALA HA 1 1 7 2043 1 1 4 ALA HB1 H -11.838 1.958 4.673 1.00 . A A . 3 ALA HB1 1 1 7 2044 1 1 4 ALA HB2 H -10.766 0.660 5.267 1.00 . A A . 3 ALA HB2 1 1 7 2045 1 1 4 ALA HB3 H -12.267 0.241 4.390 1.00 . A A . 3 ALA HB3 1 1 7 2046 1 1 4 ALA N N -11.556 1.543 2.067 1.00 . A A . 3 ALA N 1 1 7 2047 1 1 4 ALA O O -9.378 -1.042 3.716 1.00 . A A . 3 ALA O 1 1 7 2048 1 1 5 LYS C C -8.951 -1.664 -0.539 1.00 . A A . 4 LYS C 1 1 7 2049 1 1 5 LYS CA C -9.464 -1.971 0.929 1.00 . A A . 4 LYS CA 1 1 7 2050 1 1 5 LYS CB C -10.428 -3.182 0.956 1.00 . A A . 4 LYS CB 1 1 7 2051 1 1 5 LYS CD C -11.640 -5.045 2.249 1.00 . A A . 4 LYS CD 1 1 7 2052 1 1 5 LYS CE C -11.919 -5.743 3.595 1.00 . A A . 4 LYS CE 1 1 7 2053 1 1 5 LYS CG C -10.706 -3.818 2.335 1.00 . A A . 4 LYS CG 1 1 7 2054 1 1 5 LYS H H -10.627 -0.110 1.075 1.00 . A A . 4 LYS H 1 1 7 2055 1 1 5 LYS HA H -8.527 -2.132 1.485 1.00 . A A . 4 LYS HA 1 1 7 2056 1 1 5 LYS HB2 H -11.379 -2.869 0.485 1.00 . A A . 4 LYS HB2 1 1 7 2057 1 1 5 LYS HB3 H -10.019 -3.968 0.296 1.00 . A A . 4 LYS HB3 1 1 7 2058 1 1 5 LYS HD2 H -12.596 -4.762 1.767 1.00 . A A . 4 LYS HD2 1 1 7 2059 1 1 5 LYS HD3 H -11.184 -5.788 1.568 1.00 . A A . 4 LYS HD3 1 1 7 2060 1 1 5 LYS HE2 H -12.417 -6.712 3.405 1.00 . A A . 4 LYS HE2 1 1 7 2061 1 1 5 LYS HE3 H -10.971 -5.991 4.107 1.00 . A A . 4 LYS HE3 1 1 7 2062 1 1 5 LYS HG2 H -9.748 -4.111 2.805 1.00 . A A . 4 LYS HG2 1 1 7 2063 1 1 5 LYS HG3 H -11.156 -3.065 3.008 1.00 . A A . 4 LYS HG3 1 1 7 2064 1 1 5 LYS HZ1 H -12.305 -4.074 4.749 1.00 . A A . 4 LYS HZ1 1 1 7 2065 1 1 5 LYS HZ3 H -12.913 -5.452 5.383 1.00 . A A . 4 LYS HZ3 1 1 7 2066 1 1 5 LYS N N -10.053 -0.783 1.576 1.00 . A A . 4 LYS N 1 1 7 2067 1 1 5 LYS NZ N -12.775 -4.951 4.499 1.00 . A A . 4 LYS NZ 1 1 7 2068 1 1 5 LYS O O -8.762 -2.556 -1.371 1.00 . A A . 4 LYS O 1 1 7 2069 1 1 6 HIS C C -7.065 1.193 -1.597 1.00 . A A . 5 HIS C 1 1 7 2070 1 1 6 HIS CA C -8.203 0.232 -2.056 1.00 . A A . 5 HIS CA 1 1 7 2071 1 1 6 HIS CB C -9.298 0.862 -2.945 1.00 . A A . 5 HIS CB 1 1 7 2072 1 1 6 HIS CD2 C -8.081 0.482 -5.202 1.00 . A A . 5 HIS CD2 1 1 7 2073 1 1 6 HIS CE1 C -8.165 2.440 -5.964 1.00 . A A . 5 HIS CE1 1 1 7 2074 1 1 6 HIS CG C -8.754 1.317 -4.295 1.00 . A A . 5 HIS CG 1 1 7 2075 1 1 6 HIS H H -9.285 0.193 -0.157 1.00 . A A . 5 HIS H 1 1 7 2076 1 1 6 HIS HA H -7.683 -0.568 -2.589 1.00 . A A . 5 HIS HA 1 1 7 2077 1 1 6 HIS HB2 H -10.100 0.123 -3.131 1.00 . A A . 5 HIS HB2 1 1 7 2078 1 1 6 HIS HB3 H -9.789 1.701 -2.416 1.00 . A A . 5 HIS HB3 1 1 7 2079 1 1 6 HIS HD2 H -7.884 -0.570 -5.055 1.00 . A A . 5 HIS HD2 1 1 7 2080 1 1 6 HIS HE1 H -8.022 3.278 -6.631 1.00 . A A . 5 HIS HE1 1 1 7 2081 1 1 6 HIS HE2 H -7.179 0.903 -7.148 1.00 . A A . 5 HIS HE2 1 1 7 2082 1 1 6 HIS N N -8.734 -0.370 -0.814 1.00 . A A . 5 HIS N 1 1 7 2083 1 1 6 HIS ND1 N -8.820 2.622 -4.771 1.00 . A A . 5 HIS ND1 1 1 7 2084 1 1 6 HIS NE2 N -7.691 1.203 -6.312 1.00 . A A . 5 HIS NE2 1 1 7 2085 1 1 6 HIS O O -5.991 1.167 -2.200 1.00 . A A . 5 HIS O 1 1 7 2086 1 1 7 MET C C -5.365 2.047 0.835 1.00 . A A . 6 MET C 1 1 7 2087 1 1 7 MET CA C -6.285 2.968 -0.001 1.00 . A A . 6 MET CA 1 1 7 2088 1 1 7 MET CB C -6.879 4.158 0.799 1.00 . A A . 6 MET CB 1 1 7 2089 1 1 7 MET CE C -8.673 6.825 2.041 1.00 . A A . 6 MET CE 1 1 7 2090 1 1 7 MET CG C -8.038 4.899 0.104 1.00 . A A . 6 MET CG 1 1 7 2091 1 1 7 MET H H -8.153 1.918 -0.045 1.00 . A A . 6 MET H 1 1 7 2092 1 1 7 MET HA H -5.662 3.327 -0.823 1.00 . A A . 6 MET HA 1 1 7 2093 1 1 7 MET HB2 H -7.229 3.827 1.795 1.00 . A A . 6 MET HB2 1 1 7 2094 1 1 7 MET HB3 H -6.065 4.876 1.008 1.00 . A A . 6 MET HB3 1 1 7 2095 1 1 7 MET HE1 H -9.709 6.438 2.051 1.00 . A A . 6 MET HE1 1 1 7 2096 1 1 7 MET HE2 H -8.699 7.881 2.365 1.00 . A A . 6 MET HE2 1 1 7 2097 1 1 7 MET HE3 H -8.083 6.254 2.782 1.00 . A A . 6 MET HE3 1 1 7 2098 1 1 7 MET HG2 H -8.019 4.683 -0.979 1.00 . A A . 6 MET HG2 1 1 7 2099 1 1 7 MET HG3 H -9.012 4.512 0.453 1.00 . A A . 6 MET HG3 1 1 7 2100 1 1 7 MET N N -7.298 2.062 -0.579 1.00 . A A . 6 MET N 1 1 7 2101 1 1 7 MET O O -4.165 2.100 0.610 1.00 . A A . 6 MET O 1 1 7 2102 1 1 7 MET SD S -7.949 6.687 0.393 1.00 . A A . 6 MET SD 1 1 7 2103 1 1 8 PHE C C -4.388 -0.815 1.636 1.00 . A A . 7 PHE C 1 1 7 2104 1 1 8 PHE CA C -5.110 0.227 2.543 1.00 . A A . 7 PHE CA 1 1 7 2105 1 1 8 PHE CB C -6.057 -0.465 3.548 1.00 . A A . 7 PHE CB 1 1 7 2106 1 1 8 PHE CD1 C -7.200 1.242 5.040 1.00 . A A . 7 PHE CD1 1 1 7 2107 1 1 8 PHE CD2 C -5.335 -0.004 5.938 1.00 . A A . 7 PHE CD2 1 1 7 2108 1 1 8 PHE CE1 C -7.319 1.932 6.241 1.00 . A A . 7 PHE CE1 1 1 7 2109 1 1 8 PHE CE2 C -5.454 0.688 7.138 1.00 . A A . 7 PHE CE2 1 1 7 2110 1 1 8 PHE CG C -6.207 0.270 4.881 1.00 . A A . 7 PHE CG 1 1 7 2111 1 1 8 PHE CZ C -6.447 1.656 7.293 1.00 . A A . 7 PHE CZ 1 1 7 2112 1 1 8 PHE H H -6.912 1.095 1.689 1.00 . A A . 7 PHE H 1 1 7 2113 1 1 8 PHE HA H -4.335 0.794 3.063 1.00 . A A . 7 PHE HA 1 1 7 2114 1 1 8 PHE HB2 H -7.036 -0.551 3.071 1.00 . A A . 7 PHE HB2 1 1 7 2115 1 1 8 PHE HB3 H -5.779 -1.522 3.722 1.00 . A A . 7 PHE HB3 1 1 7 2116 1 1 8 PHE HD1 H -7.875 1.477 4.230 1.00 . A A . 7 PHE HD1 1 1 7 2117 1 1 8 PHE HD2 H -4.556 -0.745 5.829 1.00 . A A . 7 PHE HD2 1 1 7 2118 1 1 8 PHE HE1 H -8.088 2.683 6.333 1.00 . A A . 7 PHE HE1 1 1 7 2119 1 1 8 PHE HE2 H -4.764 0.468 7.936 1.00 . A A . 7 PHE HE2 1 1 7 2120 1 1 8 PHE HZ H -6.536 2.195 8.224 1.00 . A A . 7 PHE HZ 1 1 7 2121 1 1 8 PHE N N -5.899 1.201 1.748 1.00 . A A . 7 PHE N 1 1 7 2122 1 1 8 PHE O O -3.284 -1.240 1.981 1.00 . A A . 7 PHE O 1 1 7 2123 1 1 9 ASP C C -3.129 -1.492 -1.110 1.00 . A A . 8 ASP C 1 1 7 2124 1 1 9 ASP CA C -4.388 -2.168 -0.477 1.00 . A A . 8 ASP CA 1 1 7 2125 1 1 9 ASP CB C -5.430 -2.541 -1.558 1.00 . A A . 8 ASP CB 1 1 7 2126 1 1 9 ASP CG C -5.047 -3.726 -2.454 1.00 . A A . 8 ASP CG 1 1 7 2127 1 1 9 ASP H H -6.008 -0.961 0.504 1.00 . A A . 8 ASP H 1 1 7 2128 1 1 9 ASP HA H -4.136 -3.108 0.050 1.00 . A A . 8 ASP HA 1 1 7 2129 1 1 9 ASP HB2 H -6.375 -2.775 -1.057 1.00 . A A . 8 ASP HB2 1 1 7 2130 1 1 9 ASP HB3 H -5.666 -1.668 -2.194 1.00 . A A . 8 ASP HB3 1 1 7 2131 1 1 9 ASP HD2 H -5.127 -5.671 -2.450 1.00 . A A . 8 ASP HD2 1 1 7 2132 1 1 9 ASP N N -5.010 -1.224 0.502 1.00 . A A . 8 ASP N 1 1 7 2133 1 1 9 ASP O O -2.059 -2.105 -1.153 1.00 . A A . 8 ASP O 1 1 7 2134 1 1 9 ASP OD1 O -4.509 -3.596 -3.553 1.00 . A A . 8 ASP OD1 1 1 7 2135 1 1 9 ASP OD2 O -5.369 -4.932 -1.887 1.00 . A A . 8 ASP OD2 1 1 7 2136 1 1 10 ARG C C -1.129 0.877 -1.078 1.00 . A A . 9 ARG C 1 1 7 2137 1 1 10 ARG CA C -2.196 0.592 -2.155 1.00 . A A . 9 ARG CA 1 1 7 2138 1 1 10 ARG CB C -2.710 1.896 -2.804 1.00 . A A . 9 ARG CB 1 1 7 2139 1 1 10 ARG CD C -3.970 2.999 -4.761 1.00 . A A . 9 ARG CD 1 1 7 2140 1 1 10 ARG CG C -3.382 1.697 -4.182 1.00 . A A . 9 ARG CG 1 1 7 2141 1 1 10 ARG CZ C -4.910 3.779 -6.949 1.00 . A A . 9 ARG CZ 1 1 7 2142 1 1 10 ARG H H -4.261 0.117 -1.492 1.00 . A A . 9 ARG H 1 1 7 2143 1 1 10 ARG HA H -1.702 -0.032 -2.901 1.00 . A A . 9 ARG HA 1 1 7 2144 1 1 10 ARG HB2 H -3.397 2.417 -2.109 1.00 . A A . 9 ARG HB2 1 1 7 2145 1 1 10 ARG HB3 H -1.856 2.586 -2.936 1.00 . A A . 9 ARG HB3 1 1 7 2146 1 1 10 ARG HD2 H -4.815 3.343 -4.134 1.00 . A A . 9 ARG HD2 1 1 7 2147 1 1 10 ARG HD3 H -3.208 3.801 -4.730 1.00 . A A . 9 ARG HD3 1 1 7 2148 1 1 10 ARG HG2 H -2.632 1.276 -4.880 1.00 . A A . 9 ARG HG2 1 1 7 2149 1 1 10 ARG HG3 H -4.180 0.935 -4.108 1.00 . A A . 9 ARG HG3 1 1 7 2150 1 1 10 ARG HH11 H -4.785 5.266 -5.599 1.00 . A A . 9 ARG HH11 1 1 7 2151 1 1 10 ARG HH12 H -5.444 5.695 -7.256 1.00 . A A . 9 ARG HH12 1 1 7 2152 1 1 10 ARG HH21 H -5.133 2.483 -8.459 1.00 . A A . 9 ARG HH21 1 1 7 2153 1 1 10 ARG HH22 H -5.627 4.223 -8.765 1.00 . A A . 9 ARG HH22 1 1 7 2154 1 1 10 ARG N N -3.292 -0.226 -1.580 1.00 . A A . 9 ARG N 1 1 7 2155 1 1 10 ARG NE N -4.423 2.802 -6.159 1.00 . A A . 9 ARG NE 1 1 7 2156 1 1 10 ARG NH1 N -5.062 5.044 -6.561 1.00 . A A . 9 ARG NH1 1 1 7 2157 1 1 10 ARG NH2 N -5.259 3.463 -8.183 1.00 . A A . 9 ARG NH2 1 1 7 2158 1 1 10 ARG O O 0.016 0.464 -1.256 1.00 . A A . 9 ARG O 1 1 7 2159 1 1 11 ILE C C 0.266 0.576 1.639 1.00 . A A . 10 ILE C 1 1 7 2160 1 1 11 ILE CA C -0.598 1.809 1.208 1.00 . A A . 10 ILE CA 1 1 7 2161 1 1 11 ILE CB C -1.519 2.415 2.313 1.00 . A A . 10 ILE CB 1 1 7 2162 1 1 11 ILE CD1 C -3.179 4.379 2.675 1.00 . A A . 10 ILE CD1 1 1 7 2163 1 1 11 ILE CG1 C -1.954 3.856 1.931 1.00 . A A . 10 ILE CG1 1 1 7 2164 1 1 11 ILE CG2 C -1.001 2.347 3.759 1.00 . A A . 10 ILE CG2 1 1 7 2165 1 1 11 ILE H H -2.503 1.776 0.130 1.00 . A A . 10 ILE H 1 1 7 2166 1 1 11 ILE HA H 0.096 2.585 0.880 1.00 . A A . 10 ILE HA 1 1 7 2167 1 1 11 ILE HB H -2.408 1.781 2.330 1.00 . A A . 10 ILE HB 1 1 7 2168 1 1 11 ILE HD11 H -3.553 5.297 2.192 1.00 . A A . 10 ILE HD11 1 1 7 2169 1 1 11 ILE HD12 H -2.946 4.593 3.729 1.00 . A A . 10 ILE HD12 1 1 7 2170 1 1 11 ILE HD13 H -3.997 3.637 2.654 1.00 . A A . 10 ILE HD13 1 1 7 2171 1 1 11 ILE HG12 H -1.099 4.542 2.026 1.00 . A A . 10 ILE HG12 1 1 7 2172 1 1 11 ILE HG13 H -2.222 3.886 0.861 1.00 . A A . 10 ILE HG13 1 1 7 2173 1 1 11 ILE HG21 H -0.067 2.917 3.883 1.00 . A A . 10 ILE HG21 1 1 7 2174 1 1 11 ILE HG22 H -1.757 2.731 4.467 1.00 . A A . 10 ILE HG22 1 1 7 2175 1 1 11 ILE HG23 H -0.820 1.297 4.054 1.00 . A A . 10 ILE HG23 1 1 7 2176 1 1 11 ILE N N -1.502 1.517 0.046 1.00 . A A . 10 ILE N 1 1 7 2177 1 1 11 ILE O O 1.466 0.712 1.894 1.00 . A A . 10 ILE O 1 1 7 2178 1 1 12 GLY C C 1.418 -2.337 1.081 1.00 . A A . 11 GLY C 1 1 7 2179 1 1 12 GLY CA C 0.261 -1.892 2.014 1.00 . A A . 11 GLY CA 1 1 7 2180 1 1 12 GLY H H -1.392 -0.496 1.531 1.00 . A A . 11 GLY H 1 1 7 2181 1 1 12 GLY HA2 H 0.641 -1.815 3.044 1.00 . A A . 11 GLY HA2 1 1 7 2182 1 1 12 GLY HA3 H -0.511 -2.675 1.975 1.00 . A A . 11 GLY HA3 1 1 7 2183 1 1 12 GLY N N -0.385 -0.603 1.695 1.00 . A A . 11 GLY N 1 1 7 2184 1 1 12 GLY O O 2.230 -3.164 1.496 1.00 . A A . 11 GLY O 1 1 7 2185 1 1 13 LYS C C 2.783 -0.828 -2.033 1.00 . A A . 12 LYS C 1 1 7 2186 1 1 13 LYS CA C 2.459 -2.124 -1.200 1.00 . A A . 12 LYS CA 1 1 7 2187 1 1 13 LYS CB C 2.176 -3.374 -2.086 1.00 . A A . 12 LYS CB 1 1 7 2188 1 1 13 LYS CD C 1.943 -5.964 -2.276 1.00 . A A . 12 LYS CD 1 1 7 2189 1 1 13 LYS CE C 3.117 -6.311 -3.213 1.00 . A A . 12 LYS CE 1 1 7 2190 1 1 13 LYS CG C 2.185 -4.743 -1.364 1.00 . A A . 12 LYS CG 1 1 7 2191 1 1 13 LYS H H 0.554 -1.350 -0.400 1.00 . A A . 12 LYS H 1 1 7 2192 1 1 13 LYS HA H 3.406 -2.245 -0.649 1.00 . A A . 12 LYS HA 1 1 7 2193 1 1 13 LYS HB2 H 1.213 -3.241 -2.615 1.00 . A A . 12 LYS HB2 1 1 7 2194 1 1 13 LYS HB3 H 2.939 -3.414 -2.885 1.00 . A A . 12 LYS HB3 1 1 7 2195 1 1 13 LYS HD2 H 1.733 -6.835 -1.626 1.00 . A A . 12 LYS HD2 1 1 7 2196 1 1 13 LYS HD3 H 1.016 -5.809 -2.861 1.00 . A A . 12 LYS HD3 1 1 7 2197 1 1 13 LYS HE2 H 3.329 -5.474 -3.903 1.00 . A A . 12 LYS HE2 1 1 7 2198 1 1 13 LYS HE3 H 4.042 -6.473 -2.628 1.00 . A A . 12 LYS HE3 1 1 7 2199 1 1 13 LYS HG2 H 3.133 -4.874 -0.810 1.00 . A A . 12 LYS HG2 1 1 7 2200 1 1 13 LYS HG3 H 1.395 -4.742 -0.590 1.00 . A A . 12 LYS HG3 1 1 7 2201 1 1 13 LYS HZ1 H 2.018 -7.362 -4.608 1.00 . A A . 12 LYS HZ1 1 1 7 2202 1 1 13 LYS HZ3 H 3.614 -7.713 -4.644 1.00 . A A . 12 LYS HZ3 1 1 7 2203 1 1 13 LYS N N 1.408 -1.871 -0.183 1.00 . A A . 12 LYS N 1 1 7 2204 1 1 13 LYS NZ N 2.834 -7.520 -4.007 1.00 . A A . 12 LYS NZ 1 1 7 2205 1 1 13 LYS O O 2.942 -0.858 -3.258 1.00 . A A . 12 LYS O 1 1 7 2206 1 1 14 ASP C C 4.349 2.116 -0.896 1.00 . A A . 13 ASP C 1 1 7 2207 1 1 14 ASP CA C 3.285 1.642 -1.868 1.00 . A A . 13 ASP CA 1 1 7 2208 1 1 14 ASP CB C 2.103 2.591 -2.058 1.00 . A A . 13 ASP CB 1 1 7 2209 1 1 14 ASP CG C 2.374 3.804 -2.953 1.00 . A A . 13 ASP CG 1 1 7 2210 1 1 14 ASP H H 2.528 0.287 -0.376 1.00 . A A . 13 ASP H 1 1 7 2211 1 1 14 ASP HA H 3.833 1.510 -2.787 1.00 . A A . 13 ASP HA 1 1 7 2212 1 1 14 ASP HB2 H 1.256 2.012 -2.428 1.00 . A A . 13 ASP HB2 1 1 7 2213 1 1 14 ASP HB3 H 1.787 2.927 -1.071 1.00 . A A . 13 ASP HB3 1 1 7 2214 1 1 14 ASP HD2 H 1.821 2.638 -4.410 1.00 . A A . 13 ASP HD2 1 1 7 2215 1 1 14 ASP N N 2.926 0.310 -1.324 1.00 . A A . 13 ASP N 1 1 7 2216 1 1 14 ASP O O 5.471 2.349 -1.345 1.00 . A A . 13 ASP O 1 1 7 2217 1 1 14 ASP OD1 O 2.774 4.886 -2.524 1.00 . A A . 13 ASP OD1 1 1 7 2218 1 1 14 ASP OD2 O 2.124 3.539 -4.275 1.00 . A A . 13 ASP OD2 1 1 7 2219 1 1 15 VAL C C 5.339 1.508 2.329 1.00 . A A . 14 VAL C 1 1 7 2220 1 1 15 VAL CA C 5.012 2.735 1.399 1.00 . A A . 14 VAL CA 1 1 7 2221 1 1 15 VAL CB C 4.756 4.084 2.081 1.00 . A A . 14 VAL CB 1 1 7 2222 1 1 15 VAL CG1 C 4.711 5.199 1.024 1.00 . A A . 14 VAL CG1 1 1 7 2223 1 1 15 VAL CG2 C 3.496 4.078 2.964 1.00 . A A . 14 VAL CG2 1 1 7 2224 1 1 15 VAL H H 3.080 1.987 0.644 1.00 . A A . 14 VAL H 1 1 7 2225 1 1 15 VAL HA H 5.962 2.855 0.853 1.00 . A A . 14 VAL HA 1 1 7 2226 1 1 15 VAL HB H 5.655 4.258 2.695 1.00 . A A . 14 VAL HB 1 1 7 2227 1 1 15 VAL HG11 H 4.661 6.192 1.490 1.00 . A A . 14 VAL HG11 1 1 7 2228 1 1 15 VAL HG12 H 3.838 5.073 0.355 1.00 . A A . 14 VAL HG12 1 1 7 2229 1 1 15 VAL HG13 H 5.612 5.152 0.382 1.00 . A A . 14 VAL HG13 1 1 7 2230 1 1 15 VAL HG21 H 2.592 3.857 2.365 1.00 . A A . 14 VAL HG21 1 1 7 2231 1 1 15 VAL HG22 H 3.562 3.297 3.744 1.00 . A A . 14 VAL HG22 1 1 7 2232 1 1 15 VAL HG23 H 3.354 5.046 3.469 1.00 . A A . 14 VAL HG23 1 1 7 2233 1 1 15 VAL N N 3.991 2.358 0.383 1.00 . A A . 14 VAL N 1 1 7 2234 1 1 15 VAL O O 5.384 1.502 3.560 1.00 . A A . 14 VAL O 1 1 7 2235 1 1 16 TYR C C 6.920 -1.219 0.608 1.00 . A A . 15 TYR C 1 1 7 2236 1 1 16 TYR CA C 6.031 -0.879 1.845 1.00 . A A . 15 TYR CA 1 1 7 2237 1 1 16 TYR CB C 4.881 -1.855 2.134 1.00 . A A . 15 TYR CB 1 1 7 2238 1 1 16 TYR CD1 C 5.886 -3.632 3.645 1.00 . A A . 15 TYR CD1 1 1 7 2239 1 1 16 TYR CD2 C 5.384 -4.230 1.358 1.00 . A A . 15 TYR CD2 1 1 7 2240 1 1 16 TYR CE1 C 6.419 -4.900 3.859 1.00 . A A . 15 TYR CE1 1 1 7 2241 1 1 16 TYR CE2 C 5.918 -5.497 1.574 1.00 . A A . 15 TYR CE2 1 1 7 2242 1 1 16 TYR CG C 5.359 -3.291 2.396 1.00 . A A . 15 TYR CG 1 1 7 2243 1 1 16 TYR CZ C 6.432 -5.835 2.825 1.00 . A A . 15 TYR CZ 1 1 7 2244 1 1 16 TYR H H 5.169 0.745 0.623 1.00 . A A . 15 TYR H 1 1 7 2245 1 1 16 TYR HA H 6.683 -0.813 2.723 1.00 . A A . 15 TYR HA 1 1 7 2246 1 1 16 TYR HB2 H 4.285 -1.493 2.994 1.00 . A A . 15 TYR HB2 1 1 7 2247 1 1 16 TYR HB3 H 4.192 -1.817 1.279 1.00 . A A . 15 TYR HB3 1 1 7 2248 1 1 16 TYR HD1 H 5.928 -2.897 4.434 1.00 . A A . 15 TYR HD1 1 1 7 2249 1 1 16 TYR HD2 H 5.043 -3.963 0.366 1.00 . A A . 15 TYR HD2 1 1 7 2250 1 1 16 TYR HE1 H 6.845 -5.134 4.824 1.00 . A A . 15 TYR HE1 1 1 7 2251 1 1 16 TYR HE2 H 5.956 -6.199 0.756 1.00 . A A . 15 TYR HE2 1 1 7 2252 1 1 16 TYR HH H 6.913 -7.585 2.218 1.00 . A A . 15 TYR HH 1 1 7 2253 1 1 16 TYR N N 5.612 0.488 1.536 1.00 . A A . 15 TYR N 1 1 7 2254 1 1 16 TYR O O 8.002 -1.767 0.817 1.00 . A A . 15 TYR O 1 1 7 2255 1 1 16 TYR OH O 6.977 -7.077 3.031 1.00 . A A . 15 TYR OH 1 1 7 2256 1 1 17 ASP C C 8.406 -0.124 -1.910 1.00 . A A . 16 ASP C 1 1 7 2257 1 1 17 ASP CA C 7.288 -1.216 -1.866 1.00 . A A . 16 ASP CA 1 1 7 2258 1 1 17 ASP CB C 6.423 -1.369 -3.125 1.00 . A A . 16 ASP CB 1 1 7 2259 1 1 17 ASP CG C 7.173 -1.842 -4.376 1.00 . A A . 16 ASP CG 1 1 7 2260 1 1 17 ASP H H 5.605 -0.411 -0.678 1.00 . A A . 16 ASP H 1 1 7 2261 1 1 17 ASP HA H 7.801 -2.149 -1.690 1.00 . A A . 16 ASP HA 1 1 7 2262 1 1 17 ASP HB2 H 5.592 -2.075 -2.936 1.00 . A A . 16 ASP HB2 1 1 7 2263 1 1 17 ASP HB3 H 5.951 -0.402 -3.308 1.00 . A A . 16 ASP HB3 1 1 7 2264 1 1 17 ASP HD2 H 7.393 0.055 -4.757 1.00 . A A . 16 ASP HD2 1 1 7 2265 1 1 17 ASP N N 6.460 -0.985 -0.659 1.00 . A A . 16 ASP N 1 1 7 2266 1 1 17 ASP O O 9.559 -0.475 -2.176 1.00 . A A . 16 ASP O 1 1 7 2267 1 1 17 ASP OD1 O 7.346 -3.028 -4.653 1.00 . A A . 16 ASP OD1 1 1 7 2268 1 1 17 ASP OD2 O 7.626 -0.795 -5.138 1.00 . A A . 16 ASP OD2 1 1 7 2269 1 1 18 LYS C C 9.981 2.136 -0.299 1.00 . A A . 17 LYS C 1 1 7 2270 1 1 18 LYS CA C 9.093 2.259 -1.610 1.00 . A A . 17 LYS CA 1 1 7 2271 1 1 18 LYS CB C 8.416 3.655 -1.677 1.00 . A A . 17 LYS CB 1 1 7 2272 1 1 18 LYS CD C 6.972 5.327 -3.004 1.00 . A A . 17 LYS CD 1 1 7 2273 1 1 18 LYS CE C 6.394 5.771 -4.363 1.00 . A A . 17 LYS CE 1 1 7 2274 1 1 18 LYS CG C 7.769 4.006 -3.037 1.00 . A A . 17 LYS CG 1 1 7 2275 1 1 18 LYS H H 7.130 1.356 -1.315 1.00 . A A . 17 LYS H 1 1 7 2276 1 1 18 LYS HA H 9.737 2.145 -2.489 1.00 . A A . 17 LYS HA 1 1 7 2277 1 1 18 LYS HB2 H 7.669 3.747 -0.865 1.00 . A A . 17 LYS HB2 1 1 7 2278 1 1 18 LYS HB3 H 9.169 4.436 -1.456 1.00 . A A . 17 LYS HB3 1 1 7 2279 1 1 18 LYS HD2 H 6.159 5.260 -2.255 1.00 . A A . 17 LYS HD2 1 1 7 2280 1 1 18 LYS HD3 H 7.635 6.134 -2.637 1.00 . A A . 17 LYS HD3 1 1 7 2281 1 1 18 LYS HE2 H 5.999 6.800 -4.271 1.00 . A A . 17 LYS HE2 1 1 7 2282 1 1 18 LYS HE3 H 7.195 5.827 -5.123 1.00 . A A . 17 LYS HE3 1 1 7 2283 1 1 18 LYS HG2 H 8.558 4.062 -3.811 1.00 . A A . 17 LYS HG2 1 1 7 2284 1 1 18 LYS HG3 H 7.098 3.188 -3.357 1.00 . A A . 17 LYS HG3 1 1 7 2285 1 1 18 LYS HZ1 H 5.668 3.951 -5.018 1.00 . A A . 17 LYS HZ1 1 1 7 2286 1 1 18 LYS HZ3 H 4.980 5.230 -5.769 1.00 . A A . 17 LYS HZ3 1 1 7 2287 1 1 18 LYS N N 8.080 1.174 -1.668 1.00 . A A . 17 LYS N 1 1 7 2288 1 1 18 LYS NZ N 5.310 4.899 -4.856 1.00 . A A . 17 LYS NZ 1 1 7 2289 1 1 18 LYS O O 11.059 2.731 -0.237 1.00 . A A . 17 LYS O 1 1 7 2290 1 1 19 VAL C C 11.258 -0.040 1.801 1.00 . A A . 18 VAL C 1 1 7 2291 1 1 19 VAL CA C 10.217 1.092 2.004 1.00 . A A . 18 VAL CA 1 1 7 2292 1 1 19 VAL CB C 9.223 0.939 3.204 1.00 . A A . 18 VAL CB 1 1 7 2293 1 1 19 VAL CG1 C 9.775 0.277 4.472 1.00 . A A . 18 VAL CG1 1 1 7 2294 1 1 19 VAL CG2 C 8.529 2.262 3.580 1.00 . A A . 18 VAL CG2 1 1 7 2295 1 1 19 VAL H H 8.785 0.733 0.381 1.00 . A A . 18 VAL H 1 1 7 2296 1 1 19 VAL HA H 10.802 1.968 2.192 1.00 . A A . 18 VAL HA 1 1 7 2297 1 1 19 VAL HB H 8.442 0.252 2.910 1.00 . A A . 18 VAL HB 1 1 7 2298 1 1 19 VAL HG11 H 8.980 0.172 5.234 1.00 . A A . 18 VAL HG11 1 1 7 2299 1 1 19 VAL HG12 H 10.613 0.849 4.898 1.00 . A A . 18 VAL HG12 1 1 7 2300 1 1 19 VAL HG13 H 10.121 -0.749 4.247 1.00 . A A . 18 VAL HG13 1 1 7 2301 1 1 19 VAL HG21 H 9.247 3.021 3.934 1.00 . A A . 18 VAL HG21 1 1 7 2302 1 1 19 VAL HG22 H 7.983 2.686 2.717 1.00 . A A . 18 VAL HG22 1 1 7 2303 1 1 19 VAL HG23 H 7.778 2.108 4.379 1.00 . A A . 18 VAL HG23 1 1 7 2304 1 1 19 VAL N N 9.512 1.369 0.725 1.00 . A A . 18 VAL N 1 1 7 2305 1 1 19 VAL O O 12.429 0.156 2.140 1.00 . A A . 18 VAL O 1 1 7 2306 1 1 20 LYS C C 12.854 -2.009 -0.107 1.00 . A A . 19 LYS C 1 1 7 2307 1 1 20 LYS CA C 11.751 -2.342 0.973 1.00 . A A . 19 LYS CA 1 1 7 2308 1 1 20 LYS CB C 10.856 -3.543 0.551 1.00 . A A . 19 LYS CB 1 1 7 2309 1 1 20 LYS CD C 12.090 -5.516 1.728 1.00 . A A . 19 LYS CD 1 1 7 2310 1 1 20 LYS CE C 12.711 -6.922 1.599 1.00 . A A . 19 LYS CE 1 1 7 2311 1 1 20 LYS CG C 11.528 -4.930 0.412 1.00 . A A . 19 LYS CG 1 1 7 2312 1 1 20 LYS H H 9.840 -1.245 1.051 1.00 . A A . 19 LYS H 1 1 7 2313 1 1 20 LYS HA H 12.246 -2.597 1.922 1.00 . A A . 19 LYS HA 1 1 7 2314 1 1 20 LYS HB2 H 10.019 -3.657 1.267 1.00 . A A . 19 LYS HB2 1 1 7 2315 1 1 20 LYS HB3 H 10.366 -3.302 -0.413 1.00 . A A . 19 LYS HB3 1 1 7 2316 1 1 20 LYS HD2 H 12.872 -4.836 2.114 1.00 . A A . 19 LYS HD2 1 1 7 2317 1 1 20 LYS HD3 H 11.304 -5.523 2.508 1.00 . A A . 19 LYS HD3 1 1 7 2318 1 1 20 LYS HE2 H 13.461 -6.941 0.787 1.00 . A A . 19 LYS HE2 1 1 7 2319 1 1 20 LYS HE3 H 13.267 -7.160 2.524 1.00 . A A . 19 LYS HE3 1 1 7 2320 1 1 20 LYS HG2 H 10.778 -5.629 0.000 1.00 . A A . 19 LYS HG2 1 1 7 2321 1 1 20 LYS HG3 H 12.326 -4.888 -0.352 1.00 . A A . 19 LYS HG3 1 1 7 2322 1 1 20 LYS HZ1 H 11.021 -7.985 2.131 1.00 . A A . 19 LYS HZ1 1 1 7 2323 1 1 20 LYS HZ3 H 11.181 -7.790 0.516 1.00 . A A . 19 LYS HZ3 1 1 7 2324 1 1 20 LYS N N 10.839 -1.207 1.273 1.00 . A A . 19 LYS N 1 1 7 2325 1 1 20 LYS NZ N 11.711 -7.984 1.372 1.00 . A A . 19 LYS NZ 1 1 7 2326 1 1 20 LYS O O 13.844 -2.739 -0.207 1.00 . A A . 19 LYS O 1 1 7 2327 1 1 21 GLU C C 14.720 0.474 -1.296 1.00 . A A . 20 GLU C 1 1 7 2328 1 1 21 GLU CA C 13.633 -0.439 -1.907 1.00 . A A . 20 GLU CA 1 1 7 2329 1 1 21 GLU CB C 12.820 0.155 -3.075 1.00 . A A . 20 GLU CB 1 1 7 2330 1 1 21 GLU CD C 12.744 1.084 -5.455 1.00 . A A . 20 GLU CD 1 1 7 2331 1 1 21 GLU CG C 13.628 0.541 -4.330 1.00 . A A . 20 GLU CG 1 1 7 2332 1 1 21 GLU H H 12.001 -0.243 -0.516 1.00 . A A . 20 GLU H 1 1 7 2333 1 1 21 GLU HA H 14.131 -1.303 -2.285 1.00 . A A . 20 GLU HA 1 1 7 2334 1 1 21 GLU HB2 H 12.018 -0.553 -3.358 1.00 . A A . 20 GLU HB2 1 1 7 2335 1 1 21 GLU HB3 H 12.302 1.037 -2.688 1.00 . A A . 20 GLU HB3 1 1 7 2336 1 1 21 GLU HE2 H 12.963 2.803 -4.569 1.00 . A A . 20 GLU HE2 1 1 7 2337 1 1 21 GLU HG2 H 14.393 1.296 -4.070 1.00 . A A . 20 GLU HG2 1 1 7 2338 1 1 21 GLU HG3 H 14.185 -0.338 -4.701 1.00 . A A . 20 GLU HG3 1 1 7 2339 1 1 21 GLU N N 12.682 -0.914 -0.888 1.00 . A A . 20 GLU N 1 1 7 2340 1 1 21 GLU O O 15.904 0.141 -1.285 1.00 . A A . 20 GLU O 1 1 7 2341 1 1 21 GLU OE1 O 12.288 0.381 -6.356 1.00 . A A . 20 GLU OE1 1 1 7 2342 1 1 21 GLU OE2 O 12.523 2.433 -5.337 1.00 . A A . 20 GLU OE2 1 1 7 2343 1 1 22 NH2 HN1 H 13.509 1.982 -1.148 1.00 . A A . 21 NH2 HN1 1 1 7 2344 1 1 22 NH2 HN2 H 14.276 1.309 0.299 1.00 . A A . 21 NH2 HN2 1 1 7 2345 1 1 22 NH2 N N 14.331 1.576 -0.685 1.00 . A A . 21 NH2 N 1 1 8 2346 1 1 2 GLU C C -13.178 -2.679 -2.142 1.00 . A A . 1 ACE C 1 1 8 2347 1 1 2 GLU CA C -14.195 -0.685 -1.059 1.00 . A A . 1 ACE CA 1 1 8 2348 1 1 2 GLU CB C -15.333 -0.552 0.010 1.00 . A A . 1 ACE CB 1 1 8 2349 1 1 2 GLU CD C -16.748 -2.749 0.021 1.00 . A A . 1 ACE CD 1 1 8 2350 1 1 2 GLU CG C -16.686 -1.243 -0.262 1.00 . A A . 1 ACE CG 1 1 8 2351 1 1 2 GLU H H -14.359 -2.781 -0.560 1.00 . A A . 1 ACE H 1 1 8 2352 1 1 2 GLU HA H -14.668 -0.426 -2.022 1.00 . A A . 1 ACE HA 1 1 8 2353 1 1 2 GLU HB2 H -14.939 -0.799 1.013 1.00 . A A . 1 ACE HB2 1 1 8 2354 1 1 2 GLU HB3 H -15.596 0.512 0.081 1.00 . A A . 1 ACE HB3 1 1 8 2355 1 1 2 GLU HE2 H -16.839 -3.966 1.538 1.00 . A A . 1 ACE HE2 1 1 8 2356 1 1 2 GLU HG2 H -17.452 -0.741 0.357 1.00 . A A . 1 ACE HG2 1 1 8 2357 1 1 2 GLU HG3 H -16.986 -1.040 -1.307 1.00 . A A . 1 ACE HG3 1 1 8 2358 1 1 2 GLU N N -13.789 -2.113 -1.089 1.00 . A A . 1 ACE N 1 1 8 2359 1 1 2 GLU O O -12.741 -2.050 -3.110 1.00 . A A . 1 ACE O 1 1 8 2360 1 1 2 GLU OE1 O -16.750 -3.605 -0.863 1.00 . A A . 1 ACE OE1 1 1 8 2361 1 1 2 GLU OE2 O -16.800 -3.023 1.364 1.00 . A A . 1 ACE OE2 1 1 8 2362 1 1 3 SER C C -11.191 2.167 0.843 1.00 . A A . 2 SER C 1 1 8 2363 1 1 3 SER CA C -12.306 2.599 -0.116 1.00 . A A . 2 SER CA 1 1 8 2364 1 1 3 SER CB C -13.033 3.864 0.354 1.00 . A A . 2 SER CB 1 1 8 2365 1 1 3 SER H H -14.311 1.680 -0.299 1.00 . A A . 2 SER H 1 1 8 2366 1 1 3 SER HA H -11.861 2.870 -1.073 1.00 . A A . 2 SER HA 1 1 8 2367 1 1 3 SER HB2 H -13.954 4.035 -0.221 1.00 . A A . 2 SER HB2 1 1 8 2368 1 1 3 SER HB3 H -13.357 3.719 1.386 1.00 . A A . 2 SER HB3 1 1 8 2369 1 1 3 SER HG H -11.431 4.820 0.824 1.00 . A A . 2 SER HG 1 1 8 2370 1 1 3 SER N N -13.302 1.525 -0.375 1.00 . A A . 2 SER N 1 1 8 2371 1 1 3 SER O O -10.021 2.295 0.494 1.00 . A A . 2 SER O 1 1 8 2372 1 1 3 SER OG O -12.192 5.009 0.271 1.00 . A A . 2 SER OG 1 1 8 2373 1 1 4 ALA C C -9.964 -0.291 2.759 1.00 . A A . 3 ALA C 1 1 8 2374 1 1 4 ALA CA C -10.604 1.120 3.023 1.00 . A A . 3 ALA CA 1 1 8 2375 1 1 4 ALA CB C -11.271 1.186 4.396 1.00 . A A . 3 ALA CB 1 1 8 2376 1 1 4 ALA H H -12.596 1.601 2.086 1.00 . A A . 3 ALA H 1 1 8 2377 1 1 4 ALA HA H -9.736 1.802 2.970 1.00 . A A . 3 ALA HA 1 1 8 2378 1 1 4 ALA HB1 H -11.645 2.201 4.612 1.00 . A A . 3 ALA HB1 1 1 8 2379 1 1 4 ALA HB2 H -10.556 0.910 5.189 1.00 . A A . 3 ALA HB2 1 1 8 2380 1 1 4 ALA HB3 H -12.124 0.482 4.446 1.00 . A A . 3 ALA HB3 1 1 8 2381 1 1 4 ALA N N -11.576 1.643 2.020 1.00 . A A . 3 ALA N 1 1 8 2382 1 1 4 ALA O O -9.420 -0.966 3.637 1.00 . A A . 3 ALA O 1 1 8 2383 1 1 5 LYS C C -8.978 -1.592 -0.606 1.00 . A A . 4 LYS C 1 1 8 2384 1 1 5 LYS CA C -9.565 -1.896 0.839 1.00 . A A . 4 LYS CA 1 1 8 2385 1 1 5 LYS CB C -10.587 -3.059 0.827 1.00 . A A . 4 LYS CB 1 1 8 2386 1 1 5 LYS CD C -11.947 -4.840 2.079 1.00 . A A . 4 LYS CD 1 1 8 2387 1 1 5 LYS CE C -12.303 -5.455 3.445 1.00 . A A . 4 LYS CE 1 1 8 2388 1 1 5 LYS CG C -10.943 -3.676 2.197 1.00 . A A . 4 LYS CG 1 1 8 2389 1 1 5 LYS H H -10.680 -0.012 1.015 1.00 . A A . 4 LYS H 1 1 8 2390 1 1 5 LYS HA H -8.656 -2.119 1.409 1.00 . A A . 4 LYS HA 1 1 8 2391 1 1 5 LYS HB2 H -11.505 -2.705 0.328 1.00 . A A . 4 LYS HB2 1 1 8 2392 1 1 5 LYS HB3 H -10.196 -3.866 0.181 1.00 . A A . 4 LYS HB3 1 1 8 2393 1 1 5 LYS HD2 H -12.868 -4.480 1.580 1.00 . A A . 4 LYS HD2 1 1 8 2394 1 1 5 LYS HD3 H -11.527 -5.621 1.416 1.00 . A A . 4 LYS HD3 1 1 8 2395 1 1 5 LYS HE2 H -11.392 -5.830 3.949 1.00 . A A . 4 LYS HE2 1 1 8 2396 1 1 5 LYS HE3 H -12.735 -4.688 4.114 1.00 . A A . 4 LYS HE3 1 1 8 2397 1 1 5 LYS HG2 H -10.019 -4.026 2.693 1.00 . A A . 4 LYS HG2 1 1 8 2398 1 1 5 LYS HG3 H -11.366 -2.897 2.858 1.00 . A A . 4 LYS HG3 1 1 8 2399 1 1 5 LYS HZ1 H -13.510 -6.936 4.227 1.00 . A A . 4 LYS HZ1 1 1 8 2400 1 1 5 LYS HZ3 H -14.141 -6.220 2.900 1.00 . A A . 4 LYS HZ3 1 1 8 2401 1 1 5 LYS N N -10.087 -0.682 1.499 1.00 . A A . 4 LYS N 1 1 8 2402 1 1 5 LYS NZ N -13.263 -6.564 3.303 1.00 . A A . 4 LYS NZ 1 1 8 2403 1 1 5 LYS O O -8.731 -2.489 -1.415 1.00 . A A . 4 LYS O 1 1 8 2404 1 1 6 HIS C C -7.052 1.250 -1.524 1.00 . A A . 5 HIS C 1 1 8 2405 1 1 6 HIS CA C -8.190 0.334 -2.081 1.00 . A A . 5 HIS CA 1 1 8 2406 1 1 6 HIS CB C -9.236 1.030 -2.983 1.00 . A A . 5 HIS CB 1 1 8 2407 1 1 6 HIS CD2 C -7.984 0.894 -5.252 1.00 . A A . 5 HIS CD2 1 1 8 2408 1 1 6 HIS CE1 C -7.666 2.948 -5.578 1.00 . A A . 5 HIS CE1 1 1 8 2409 1 1 6 HIS CG C -8.605 1.637 -4.234 1.00 . A A . 5 HIS CG 1 1 8 2410 1 1 6 HIS H H -9.386 0.256 -0.267 1.00 . A A . 5 HIS H 1 1 8 2411 1 1 6 HIS HA H -7.660 -0.456 -2.621 1.00 . A A . 5 HIS HA 1 1 8 2412 1 1 6 HIS HB2 H -10.010 0.300 -3.289 1.00 . A A . 5 HIS HB2 1 1 8 2413 1 1 6 HIS HB3 H -9.781 1.806 -2.411 1.00 . A A . 5 HIS HB3 1 1 8 2414 1 1 6 HIS HD2 H -7.941 -0.185 -5.300 1.00 . A A . 5 HIS HD2 1 1 8 2415 1 1 6 HIS HE1 H -7.314 3.861 -6.035 1.00 . A A . 5 HIS HE1 1 1 8 2416 1 1 6 HIS HE2 H -6.810 1.526 -6.985 1.00 . A A . 5 HIS HE2 1 1 8 2417 1 1 6 HIS N N -8.775 -0.294 -0.880 1.00 . A A . 5 HIS N 1 1 8 2418 1 1 6 HIS ND1 N -8.405 3.001 -4.422 1.00 . A A . 5 HIS ND1 1 1 8 2419 1 1 6 HIS NE2 N -7.371 1.741 -6.153 1.00 . A A . 5 HIS NE2 1 1 8 2420 1 1 6 HIS O O -5.962 1.229 -2.097 1.00 . A A . 5 HIS O 1 1 8 2421 1 1 7 MET C C -5.367 1.975 0.960 1.00 . A A . 6 MET C 1 1 8 2422 1 1 7 MET CA C -6.298 2.935 0.183 1.00 . A A . 6 MET CA 1 1 8 2423 1 1 7 MET CB C -6.901 4.097 1.024 1.00 . A A . 6 MET CB 1 1 8 2424 1 1 7 MET CE C -9.165 4.635 4.487 1.00 . A A . 6 MET CE 1 1 8 2425 1 1 7 MET CG C -7.864 3.782 2.181 1.00 . A A . 6 MET CG 1 1 8 2426 1 1 7 MET H H -8.128 1.825 0.061 1.00 . A A . 6 MET H 1 1 8 2427 1 1 7 MET HA H -5.663 3.339 -0.605 1.00 . A A . 6 MET HA 1 1 8 2428 1 1 7 MET HB2 H -6.065 4.667 1.458 1.00 . A A . 6 MET HB2 1 1 8 2429 1 1 7 MET HB3 H -7.430 4.796 0.353 1.00 . A A . 6 MET HB3 1 1 8 2430 1 1 7 MET HE1 H -9.233 5.320 5.352 1.00 . A A . 6 MET HE1 1 1 8 2431 1 1 7 MET HE2 H -9.039 3.608 4.872 1.00 . A A . 6 MET HE2 1 1 8 2432 1 1 7 MET HE3 H -10.122 4.683 3.937 1.00 . A A . 6 MET HE3 1 1 8 2433 1 1 7 MET HG2 H -8.898 3.708 1.811 1.00 . A A . 6 MET HG2 1 1 8 2434 1 1 7 MET HG3 H -7.629 2.820 2.662 1.00 . A A . 6 MET HG3 1 1 8 2435 1 1 7 MET N N -7.307 2.085 -0.477 1.00 . A A . 6 MET N 1 1 8 2436 1 1 7 MET O O -4.167 2.038 0.737 1.00 . A A . 6 MET O 1 1 8 2437 1 1 7 MET SD S -7.787 5.099 3.420 1.00 . A A . 6 MET SD 1 1 8 2438 1 1 8 PHE C C -4.378 -0.934 1.608 1.00 . A A . 7 PHE C 1 1 8 2439 1 1 8 PHE CA C -5.110 0.065 2.555 1.00 . A A . 7 PHE CA 1 1 8 2440 1 1 8 PHE CB C -6.081 -0.654 3.517 1.00 . A A . 7 PHE CB 1 1 8 2441 1 1 8 PHE CD1 C -5.247 -0.379 5.896 1.00 . A A . 7 PHE CD1 1 1 8 2442 1 1 8 PHE CD2 C -7.128 0.958 5.179 1.00 . A A . 7 PHE CD2 1 1 8 2443 1 1 8 PHE CE1 C -5.290 0.234 7.143 1.00 . A A . 7 PHE CE1 1 1 8 2444 1 1 8 PHE CE2 C -7.170 1.568 6.426 1.00 . A A . 7 PHE CE2 1 1 8 2445 1 1 8 PHE CG C -6.165 -0.019 4.906 1.00 . A A . 7 PHE CG 1 1 8 2446 1 1 8 PHE CZ C -6.252 1.208 7.411 1.00 . A A . 7 PHE CZ 1 1 8 2447 1 1 8 PHE H H -6.913 1.007 1.787 1.00 . A A . 7 PHE H 1 1 8 2448 1 1 8 PHE HA H -4.337 0.606 3.110 1.00 . A A . 7 PHE HA 1 1 8 2449 1 1 8 PHE HB2 H -7.076 -0.647 3.054 1.00 . A A . 7 PHE HB2 1 1 8 2450 1 1 8 PHE HB3 H -5.852 -1.732 3.603 1.00 . A A . 7 PHE HB3 1 1 8 2451 1 1 8 PHE HD1 H -4.489 -1.124 5.698 1.00 . A A . 7 PHE HD1 1 1 8 2452 1 1 8 PHE HD2 H -7.841 1.255 4.424 1.00 . A A . 7 PHE HD2 1 1 8 2453 1 1 8 PHE HE1 H -4.563 -0.051 7.886 1.00 . A A . 7 PHE HE1 1 1 8 2454 1 1 8 PHE HE2 H -7.916 2.325 6.607 1.00 . A A . 7 PHE HE2 1 1 8 2455 1 1 8 PHE HZ H -6.281 1.687 8.379 1.00 . A A . 7 PHE HZ 1 1 8 2456 1 1 8 PHE N N -5.895 1.077 1.812 1.00 . A A . 7 PHE N 1 1 8 2457 1 1 8 PHE O O -3.279 -1.380 1.943 1.00 . A A . 7 PHE O 1 1 8 2458 1 1 9 ASP C C -3.113 -1.473 -1.166 1.00 . A A . 8 ASP C 1 1 8 2459 1 1 9 ASP CA C -4.370 -2.171 -0.571 1.00 . A A . 8 ASP CA 1 1 8 2460 1 1 9 ASP CB C -5.411 -2.491 -1.669 1.00 . A A . 8 ASP CB 1 1 8 2461 1 1 9 ASP CG C -5.044 -3.654 -2.599 1.00 . A A . 8 ASP CG 1 1 8 2462 1 1 9 ASP H H -5.987 -1.024 0.465 1.00 . A A . 8 ASP H 1 1 8 2463 1 1 9 ASP HA H -4.108 -3.133 -0.088 1.00 . A A . 8 ASP HA 1 1 8 2464 1 1 9 ASP HB2 H -6.356 -2.740 -1.176 1.00 . A A . 8 ASP HB2 1 1 8 2465 1 1 9 ASP HB3 H -5.644 -1.591 -2.268 1.00 . A A . 8 ASP HB3 1 1 8 2466 1 1 9 ASP HD2 H -4.158 -3.961 -4.305 1.00 . A A . 8 ASP HD2 1 1 8 2467 1 1 9 ASP N N -4.989 -1.277 0.449 1.00 . A A . 8 ASP N 1 1 8 2468 1 1 9 ASP O O -2.046 -2.091 -1.203 1.00 . A A . 8 ASP O 1 1 8 2469 1 1 9 ASP OD1 O -5.310 -4.830 -2.351 1.00 . A A . 8 ASP OD1 1 1 8 2470 1 1 9 ASP OD2 O -4.387 -3.230 -3.726 1.00 . A A . 8 ASP OD2 1 1 8 2471 1 1 10 ARG C C -1.092 0.885 -1.021 1.00 . A A . 9 ARG C 1 1 8 2472 1 1 10 ARG CA C -2.117 0.595 -2.142 1.00 . A A . 9 ARG CA 1 1 8 2473 1 1 10 ARG CB C -2.487 1.810 -3.023 1.00 . A A . 9 ARG CB 1 1 8 2474 1 1 10 ARG CD C -3.938 3.911 -3.359 1.00 . A A . 9 ARG CD 1 1 8 2475 1 1 10 ARG CG C -3.220 2.990 -2.353 1.00 . A A . 9 ARG CG 1 1 8 2476 1 1 10 ARG CZ C -5.483 5.882 -3.268 1.00 . A A . 9 ARG CZ 1 1 8 2477 1 1 10 ARG H H -4.224 0.164 -1.508 1.00 . A A . 9 ARG H 1 1 8 2478 1 1 10 ARG HA H -1.610 -0.093 -2.818 1.00 . A A . 9 ARG HA 1 1 8 2479 1 1 10 ARG HB2 H -1.557 2.193 -3.486 1.00 . A A . 9 ARG HB2 1 1 8 2480 1 1 10 ARG HB3 H -3.086 1.428 -3.869 1.00 . A A . 9 ARG HB3 1 1 8 2481 1 1 10 ARG HD2 H -3.202 4.370 -4.046 1.00 . A A . 9 ARG HD2 1 1 8 2482 1 1 10 ARG HD3 H -4.627 3.314 -3.989 1.00 . A A . 9 ARG HD3 1 1 8 2483 1 1 10 ARG HG2 H -3.954 2.586 -1.641 1.00 . A A . 9 ARG HG2 1 1 8 2484 1 1 10 ARG HG3 H -2.505 3.570 -1.740 1.00 . A A . 9 ARG HG3 1 1 8 2485 1 1 10 ARG HH11 H -5.136 5.273 -5.155 1.00 . A A . 9 ARG HH11 1 1 8 2486 1 1 10 ARG HH12 H -6.267 6.701 -4.931 1.00 . A A . 9 ARG HH12 1 1 8 2487 1 1 10 ARG HH21 H -5.985 6.673 -1.498 1.00 . A A . 9 ARG HH21 1 1 8 2488 1 1 10 ARG HH22 H -6.713 7.439 -2.998 1.00 . A A . 9 ARG HH22 1 1 8 2489 1 1 10 ARG N N -3.259 -0.194 -1.611 1.00 . A A . 9 ARG N 1 1 8 2490 1 1 10 ARG NE N -4.704 4.969 -2.658 1.00 . A A . 9 ARG NE 1 1 8 2491 1 1 10 ARG NH1 N -5.646 5.960 -4.588 1.00 . A A . 9 ARG NH1 1 1 8 2492 1 1 10 ARG NH2 N -6.125 6.753 -2.512 1.00 . A A . 9 ARG NH2 1 1 8 2493 1 1 10 ARG O O 0.064 0.507 -1.193 1.00 . A A . 9 ARG O 1 1 8 2494 1 1 11 ILE C C 0.275 0.492 1.705 1.00 . A A . 10 ILE C 1 1 8 2495 1 1 11 ILE CA C -0.600 1.729 1.307 1.00 . A A . 10 ILE CA 1 1 8 2496 1 1 11 ILE CB C -1.529 2.288 2.428 1.00 . A A . 10 ILE CB 1 1 8 2497 1 1 11 ILE CD1 C -3.204 4.221 2.860 1.00 . A A . 10 ILE CD1 1 1 8 2498 1 1 11 ILE CG1 C -1.976 3.736 2.094 1.00 . A A . 10 ILE CG1 1 1 8 2499 1 1 11 ILE CG2 C -1.018 2.177 3.876 1.00 . A A . 10 ILE CG2 1 1 8 2500 1 1 11 ILE H H -2.496 1.708 0.219 1.00 . A A . 10 ILE H 1 1 8 2501 1 1 11 ILE HA H 0.086 2.524 1.000 1.00 . A A . 10 ILE HA 1 1 8 2502 1 1 11 ILE HB H -2.411 1.645 2.421 1.00 . A A . 10 ILE HB 1 1 8 2503 1 1 11 ILE HD11 H -2.960 4.425 3.914 1.00 . A A . 10 ILE HD11 1 1 8 2504 1 1 11 ILE HD12 H -3.606 5.136 2.394 1.00 . A A . 10 ILE HD12 1 1 8 2505 1 1 11 ILE HD13 H -4.004 3.460 2.842 1.00 . A A . 10 ILE HD13 1 1 8 2506 1 1 11 ILE HG12 H -1.127 4.426 2.210 1.00 . A A . 10 ILE HG12 1 1 8 2507 1 1 11 ILE HG13 H -2.247 3.796 1.026 1.00 . A A . 10 ILE HG13 1 1 8 2508 1 1 11 ILE HG21 H -0.827 1.120 4.137 1.00 . A A . 10 ILE HG21 1 1 8 2509 1 1 11 ILE HG22 H -1.783 2.528 4.591 1.00 . A A . 10 ILE HG22 1 1 8 2510 1 1 11 ILE HG23 H -0.092 2.754 4.025 1.00 . A A . 10 ILE HG23 1 1 8 2511 1 1 11 ILE N N -1.493 1.460 0.131 1.00 . A A . 10 ILE N 1 1 8 2512 1 1 11 ILE O O 1.473 0.635 1.966 1.00 . A A . 10 ILE O 1 1 8 2513 1 1 12 GLY C C 1.462 -2.414 1.068 1.00 . A A . 11 GLY C 1 1 8 2514 1 1 12 GLY CA C 0.305 -1.986 2.013 1.00 . A A . 11 GLY CA 1 1 8 2515 1 1 12 GLY H H -1.370 -0.598 1.566 1.00 . A A . 11 GLY H 1 1 8 2516 1 1 12 GLY HA2 H 0.691 -1.923 3.042 1.00 . A A . 11 GLY HA2 1 1 8 2517 1 1 12 GLY HA3 H -0.460 -2.774 1.967 1.00 . A A . 11 GLY HA3 1 1 8 2518 1 1 12 GLY N N -0.361 -0.696 1.727 1.00 . A A . 11 GLY N 1 1 8 2519 1 1 12 GLY O O 2.245 -3.293 1.430 1.00 . A A . 11 GLY O 1 1 8 2520 1 1 13 LYS C C 2.839 -0.762 -2.001 1.00 . A A . 12 LYS C 1 1 8 2521 1 1 13 LYS CA C 2.531 -2.073 -1.183 1.00 . A A . 12 LYS CA 1 1 8 2522 1 1 13 LYS CB C 2.226 -3.347 -2.023 1.00 . A A . 12 LYS CB 1 1 8 2523 1 1 13 LYS CD C 3.169 -5.262 -3.516 1.00 . A A . 12 LYS CD 1 1 8 2524 1 1 13 LYS CE C 2.244 -5.148 -4.744 1.00 . A A . 12 LYS CE 1 1 8 2525 1 1 13 LYS CG C 3.438 -3.928 -2.789 1.00 . A A . 12 LYS CG 1 1 8 2526 1 1 13 LYS H H 0.617 -1.352 -0.347 1.00 . A A . 12 LYS H 1 1 8 2527 1 1 13 LYS HA H 3.472 -2.197 -0.622 1.00 . A A . 12 LYS HA 1 1 8 2528 1 1 13 LYS HB2 H 1.845 -4.147 -1.357 1.00 . A A . 12 LYS HB2 1 1 8 2529 1 1 13 LYS HB3 H 1.396 -3.136 -2.724 1.00 . A A . 12 LYS HB3 1 1 8 2530 1 1 13 LYS HD2 H 4.144 -5.677 -3.836 1.00 . A A . 12 LYS HD2 1 1 8 2531 1 1 13 LYS HD3 H 2.763 -5.999 -2.796 1.00 . A A . 12 LYS HD3 1 1 8 2532 1 1 13 LYS HE2 H 1.248 -4.768 -4.450 1.00 . A A . 12 LYS HE2 1 1 8 2533 1 1 13 LYS HE3 H 2.653 -4.420 -5.469 1.00 . A A . 12 LYS HE3 1 1 8 2534 1 1 13 LYS HG2 H 3.824 -3.191 -3.516 1.00 . A A . 12 LYS HG2 1 1 8 2535 1 1 13 LYS HG3 H 4.265 -4.088 -2.073 1.00 . A A . 12 LYS HG3 1 1 8 2536 1 1 13 LYS HZ1 H 2.981 -6.787 -5.759 1.00 . A A . 12 LYS HZ1 1 1 8 2537 1 1 13 LYS HZ3 H 1.486 -6.343 -6.247 1.00 . A A . 12 LYS HZ3 1 1 8 2538 1 1 13 LYS N N 1.484 -1.858 -0.156 1.00 . A A . 12 LYS N 1 1 8 2539 1 1 13 LYS NZ N 2.076 -6.450 -5.415 1.00 . A A . 12 LYS NZ 1 1 8 2540 1 1 13 LYS O O 2.993 -0.770 -3.225 1.00 . A A . 12 LYS O 1 1 8 2541 1 1 14 ASP C C 4.341 2.187 -0.768 1.00 . A A . 13 ASP C 1 1 8 2542 1 1 14 ASP CA C 3.311 1.714 -1.779 1.00 . A A . 13 ASP CA 1 1 8 2543 1 1 14 ASP CB C 2.118 2.652 -1.976 1.00 . A A . 13 ASP CB 1 1 8 2544 1 1 14 ASP CG C 2.383 3.866 -2.870 1.00 . A A . 13 ASP CG 1 1 8 2545 1 1 14 ASP H H 2.533 0.323 -0.340 1.00 . A A . 13 ASP H 1 1 8 2546 1 1 14 ASP HA H 3.886 1.610 -2.684 1.00 . A A . 13 ASP HA 1 1 8 2547 1 1 14 ASP HB2 H 1.271 2.074 -2.348 1.00 . A A . 13 ASP HB2 1 1 8 2548 1 1 14 ASP HB3 H 1.796 2.985 -0.989 1.00 . A A . 13 ASP HB3 1 1 8 2549 1 1 14 ASP HD2 H 1.868 2.688 -4.331 1.00 . A A . 13 ASP HD2 1 1 8 2550 1 1 14 ASP N N 2.968 0.364 -1.270 1.00 . A A . 13 ASP N 1 1 8 2551 1 1 14 ASP O O 5.470 2.451 -1.183 1.00 . A A . 13 ASP O 1 1 8 2552 1 1 14 ASP OD1 O 2.761 4.955 -2.438 1.00 . A A . 13 ASP OD1 1 1 8 2553 1 1 14 ASP OD2 O 2.156 3.594 -4.195 1.00 . A A . 13 ASP OD2 1 1 8 2554 1 1 15 VAL C C 5.297 1.539 2.468 1.00 . A A . 14 VAL C 1 1 8 2555 1 1 15 VAL CA C 4.941 2.772 1.557 1.00 . A A . 14 VAL CA 1 1 8 2556 1 1 15 VAL CB C 4.635 4.095 2.268 1.00 . A A . 14 VAL CB 1 1 8 2557 1 1 15 VAL CG1 C 4.581 5.235 1.239 1.00 . A A . 14 VAL CG1 1 1 8 2558 1 1 15 VAL CG2 C 3.361 4.034 3.129 1.00 . A A . 14 VAL CG2 1 1 8 2559 1 1 15 VAL H H 3.047 1.992 0.744 1.00 . A A . 14 VAL H 1 1 8 2560 1 1 15 VAL HA H 5.902 2.920 1.038 1.00 . A A . 14 VAL HA 1 1 8 2561 1 1 15 VAL HB H 5.516 4.280 2.905 1.00 . A A . 14 VAL HB 1 1 8 2562 1 1 15 VAL HG11 H 4.498 6.215 1.728 1.00 . A A . 14 VAL HG11 1 1 8 2563 1 1 15 VAL HG12 H 3.722 5.104 0.552 1.00 . A A . 14 VAL HG12 1 1 8 2564 1 1 15 VAL HG13 H 5.494 5.225 0.612 1.00 . A A . 14 VAL HG13 1 1 8 2565 1 1 15 VAL HG21 H 3.434 3.233 3.888 1.00 . A A . 14 VAL HG21 1 1 8 2566 1 1 15 VAL HG22 H 2.472 3.809 2.510 1.00 . A A . 14 VAL HG22 1 1 8 2567 1 1 15 VAL HG23 H 3.187 4.983 3.659 1.00 . A A . 14 VAL HG23 1 1 8 2568 1 1 15 VAL N N 3.949 2.398 0.508 1.00 . A A . 14 VAL N 1 1 8 2569 1 1 15 VAL O O 5.403 1.536 3.697 1.00 . A A . 14 VAL O 1 1 8 2570 1 1 16 TYR C C 6.913 -1.150 0.760 1.00 . A A . 15 TYR C 1 1 8 2571 1 1 16 TYR CA C 5.971 -0.847 1.961 1.00 . A A . 15 TYR CA 1 1 8 2572 1 1 16 TYR CB C 4.846 -1.864 2.216 1.00 . A A . 15 TYR CB 1 1 8 2573 1 1 16 TYR CD1 C 5.924 -3.641 3.686 1.00 . A A . 15 TYR CD1 1 1 8 2574 1 1 16 TYR CD2 C 5.425 -4.206 1.390 1.00 . A A . 15 TYR CD2 1 1 8 2575 1 1 16 TYR CE1 C 6.527 -4.884 3.860 1.00 . A A . 15 TYR CE1 1 1 8 2576 1 1 16 TYR CE2 C 6.032 -5.447 1.565 1.00 . A A . 15 TYR CE2 1 1 8 2577 1 1 16 TYR CG C 5.369 -3.293 2.451 1.00 . A A . 15 TYR CG 1 1 8 2578 1 1 16 TYR CZ C 6.581 -5.788 2.800 1.00 . A A . 15 TYR CZ 1 1 8 2579 1 1 16 TYR H H 5.116 0.791 0.748 1.00 . A A . 15 TYR H 1 1 8 2580 1 1 16 TYR HA H 6.600 -0.781 2.845 1.00 . A A . 15 TYR HA 1 1 8 2581 1 1 16 TYR HB2 H 4.233 -1.540 3.080 1.00 . A A . 15 TYR HB2 1 1 8 2582 1 1 16 TYR HB3 H 4.163 -1.828 1.358 1.00 . A A . 15 TYR HB3 1 1 8 2583 1 1 16 TYR HD1 H 5.934 -2.929 4.498 1.00 . A A . 15 TYR HD1 1 1 8 2584 1 1 16 TYR HD2 H 5.049 -3.938 0.412 1.00 . A A . 15 TYR HD2 1 1 8 2585 1 1 16 TYR HE1 H 6.974 -5.125 4.813 1.00 . A A . 15 TYR HE1 1 1 8 2586 1 1 16 TYR HE2 H 6.095 -6.128 0.730 1.00 . A A . 15 TYR HE2 1 1 8 2587 1 1 16 TYR HH H 7.155 -7.489 2.137 1.00 . A A . 15 TYR HH 1 1 8 2588 1 1 16 TYR N N 5.541 0.518 1.665 1.00 . A A . 15 TYR N 1 1 8 2589 1 1 16 TYR O O 8.000 -1.678 1.001 1.00 . A A . 15 TYR O 1 1 8 2590 1 1 16 TYR OH O 7.201 -7.002 2.963 1.00 . A A . 15 TYR OH 1 1 8 2591 1 1 17 ASP C C 8.448 0.029 -1.734 1.00 . A A . 16 ASP C 1 1 8 2592 1 1 17 ASP CA C 7.392 -1.109 -1.674 1.00 . A A . 16 ASP CA 1 1 8 2593 1 1 17 ASP CB C 6.597 -1.375 -2.958 1.00 . A A . 16 ASP CB 1 1 8 2594 1 1 17 ASP CG C 7.416 -1.925 -4.133 1.00 . A A . 16 ASP CG 1 1 8 2595 1 1 17 ASP H H 5.646 -0.332 -0.562 1.00 . A A . 16 ASP H 1 1 8 2596 1 1 17 ASP HA H 7.989 -1.977 -1.431 1.00 . A A . 16 ASP HA 1 1 8 2597 1 1 17 ASP HB2 H 5.771 -2.082 -2.758 1.00 . A A . 16 ASP HB2 1 1 8 2598 1 1 17 ASP HB3 H 6.119 -0.435 -3.234 1.00 . A A . 16 ASP HB3 1 1 8 2599 1 1 17 ASP HD2 H 8.414 -1.276 -5.674 1.00 . A A . 16 ASP HD2 1 1 8 2600 1 1 17 ASP N N 6.500 -0.906 -0.515 1.00 . A A . 16 ASP N 1 1 8 2601 1 1 17 ASP O O 9.595 -0.278 -2.065 1.00 . A A . 16 ASP O 1 1 8 2602 1 1 17 ASP OD1 O 7.610 -3.125 -4.319 1.00 . A A . 16 ASP OD1 1 1 8 2603 1 1 17 ASP OD2 O 7.901 -0.927 -4.940 1.00 . A A . 16 ASP OD2 1 1 8 2604 1 1 18 LYS C C 10.113 2.216 -0.205 1.00 . A A . 17 LYS C 1 1 8 2605 1 1 18 LYS CA C 9.100 2.404 -1.400 1.00 . A A . 17 LYS CA 1 1 8 2606 1 1 18 LYS CB C 8.360 3.768 -1.370 1.00 . A A . 17 LYS CB 1 1 8 2607 1 1 18 LYS CD C 8.448 6.329 -1.603 1.00 . A A . 17 LYS CD 1 1 8 2608 1 1 18 LYS CE C 9.287 7.598 -1.857 1.00 . A A . 17 LYS CE 1 1 8 2609 1 1 18 LYS CG C 9.251 5.010 -1.591 1.00 . A A . 17 LYS CG 1 1 8 2610 1 1 18 LYS H H 7.142 1.474 -1.103 1.00 . A A . 17 LYS H 1 1 8 2611 1 1 18 LYS HA H 9.662 2.332 -2.342 1.00 . A A . 17 LYS HA 1 1 8 2612 1 1 18 LYS HB2 H 7.581 3.775 -2.158 1.00 . A A . 17 LYS HB2 1 1 8 2613 1 1 18 LYS HB3 H 7.810 3.874 -0.415 1.00 . A A . 17 LYS HB3 1 1 8 2614 1 1 18 LYS HD2 H 7.678 6.267 -2.395 1.00 . A A . 17 LYS HD2 1 1 8 2615 1 1 18 LYS HD3 H 7.880 6.438 -0.659 1.00 . A A . 17 LYS HD3 1 1 8 2616 1 1 18 LYS HE2 H 9.894 7.484 -2.774 1.00 . A A . 17 LYS HE2 1 1 8 2617 1 1 18 LYS HE3 H 8.609 8.449 -2.052 1.00 . A A . 17 LYS HE3 1 1 8 2618 1 1 18 LYS HG2 H 10.022 5.059 -0.800 1.00 . A A . 17 LYS HG2 1 1 8 2619 1 1 18 LYS HG3 H 9.802 4.903 -2.544 1.00 . A A . 17 LYS HG3 1 1 8 2620 1 1 18 LYS HZ1 H 9.609 8.080 0.127 1.00 . A A . 17 LYS HZ1 1 1 8 2621 1 1 18 LYS HZ3 H 10.810 7.182 -0.524 1.00 . A A . 17 LYS HZ3 1 1 8 2622 1 1 18 LYS N N 8.106 1.306 -1.428 1.00 . A A . 17 LYS N 1 1 8 2623 1 1 18 LYS NZ N 10.166 7.954 -0.726 1.00 . A A . 17 LYS NZ 1 1 8 2624 1 1 18 LYS O O 11.239 2.712 -0.306 1.00 . A A . 17 LYS O 1 1 8 2625 1 1 19 VAL C C 11.564 0.034 1.768 1.00 . A A . 18 VAL C 1 1 8 2626 1 1 19 VAL CA C 10.613 1.222 2.051 1.00 . A A . 18 VAL CA 1 1 8 2627 1 1 19 VAL CB C 9.855 1.138 3.415 1.00 . A A . 18 VAL CB 1 1 8 2628 1 1 19 VAL CG1 C 8.780 2.226 3.638 1.00 . A A . 18 VAL CG1 1 1 8 2629 1 1 19 VAL CG2 C 9.291 -0.223 3.864 1.00 . A A . 18 VAL CG2 1 1 8 2630 1 1 19 VAL H H 8.887 0.937 0.810 1.00 . A A . 18 VAL H 1 1 8 2631 1 1 19 VAL HA H 11.272 2.082 2.113 1.00 . A A . 18 VAL HA 1 1 8 2632 1 1 19 VAL HB H 10.656 1.324 4.107 1.00 . A A . 18 VAL HB 1 1 8 2633 1 1 19 VAL HG11 H 7.934 2.095 2.941 1.00 . A A . 18 VAL HG11 1 1 8 2634 1 1 19 VAL HG12 H 8.362 2.198 4.661 1.00 . A A . 18 VAL HG12 1 1 8 2635 1 1 19 VAL HG13 H 9.184 3.240 3.472 1.00 . A A . 18 VAL HG13 1 1 8 2636 1 1 19 VAL HG21 H 8.712 -0.157 4.803 1.00 . A A . 18 VAL HG21 1 1 8 2637 1 1 19 VAL HG22 H 8.652 -0.658 3.091 1.00 . A A . 18 VAL HG22 1 1 8 2638 1 1 19 VAL HG23 H 10.107 -0.945 4.047 1.00 . A A . 18 VAL HG23 1 1 8 2639 1 1 19 VAL N N 9.735 1.504 0.896 1.00 . A A . 18 VAL N 1 1 8 2640 1 1 19 VAL O O 12.782 0.158 1.933 1.00 . A A . 18 VAL O 1 1 8 2641 1 1 20 LYS C C 12.725 -2.116 -0.249 1.00 . A A . 19 LYS C 1 1 8 2642 1 1 20 LYS CA C 11.738 -2.328 0.966 1.00 . A A . 19 LYS CA 1 1 8 2643 1 1 20 LYS CB C 10.689 -3.448 0.720 1.00 . A A . 19 LYS CB 1 1 8 2644 1 1 20 LYS CD C 10.115 -5.939 0.539 1.00 . A A . 19 LYS CD 1 1 8 2645 1 1 20 LYS CE C 10.646 -7.382 0.482 1.00 . A A . 19 LYS CE 1 1 8 2646 1 1 20 LYS CG C 11.240 -4.888 0.642 1.00 . A A . 19 LYS CG 1 1 8 2647 1 1 20 LYS H H 9.958 -1.051 1.397 1.00 . A A . 19 LYS H 1 1 8 2648 1 1 20 LYS HA H 12.332 -2.611 1.851 1.00 . A A . 19 LYS HA 1 1 8 2649 1 1 20 LYS HB2 H 9.944 -3.434 1.541 1.00 . A A . 19 LYS HB2 1 1 8 2650 1 1 20 LYS HB3 H 10.111 -3.224 -0.199 1.00 . A A . 19 LYS HB3 1 1 8 2651 1 1 20 LYS HD2 H 9.433 -5.831 1.404 1.00 . A A . 19 LYS HD2 1 1 8 2652 1 1 20 LYS HD3 H 9.500 -5.732 -0.358 1.00 . A A . 19 LYS HD3 1 1 8 2653 1 1 20 LYS HE2 H 11.312 -7.516 -0.391 1.00 . A A . 19 LYS HE2 1 1 8 2654 1 1 20 LYS HE3 H 11.257 -7.605 1.376 1.00 . A A . 19 LYS HE3 1 1 8 2655 1 1 20 LYS HG2 H 11.918 -4.985 -0.227 1.00 . A A . 19 LYS HG2 1 1 8 2656 1 1 20 LYS HG3 H 11.858 -5.095 1.536 1.00 . A A . 19 LYS HG3 1 1 8 2657 1 1 20 LYS HZ1 H 9.919 -9.309 0.330 1.00 . A A . 19 LYS HZ1 1 1 8 2658 1 1 20 LYS HZ3 H 9.005 -8.208 -0.461 1.00 . A A . 19 LYS HZ3 1 1 8 2659 1 1 20 LYS N N 10.982 -1.104 1.345 1.00 . A A . 19 LYS N 1 1 8 2660 1 1 20 LYS NZ N 9.543 -8.356 0.400 1.00 . A A . 19 LYS NZ 1 1 8 2661 1 1 20 LYS O O 13.620 -2.940 -0.459 1.00 . A A . 19 LYS O 1 1 8 2662 1 1 21 GLU C C 14.611 0.227 -1.691 1.00 . A A . 20 GLU C 1 1 8 2663 1 1 21 GLU CA C 13.412 -0.629 -2.158 1.00 . A A . 20 GLU CA 1 1 8 2664 1 1 21 GLU CB C 12.503 -0.025 -3.247 1.00 . A A . 20 GLU CB 1 1 8 2665 1 1 21 GLU CD C 14.071 1.387 -4.772 1.00 . A A . 20 GLU CD 1 1 8 2666 1 1 21 GLU CG C 13.122 0.191 -4.635 1.00 . A A . 20 GLU CG 1 1 8 2667 1 1 21 GLU H H 11.938 -0.304 -0.622 1.00 . A A . 20 GLU H 1 1 8 2668 1 1 21 GLU HA H 13.813 -1.525 -2.572 1.00 . A A . 20 GLU HA 1 1 8 2669 1 1 21 GLU HB2 H 11.647 -0.709 -3.402 1.00 . A A . 20 GLU HB2 1 1 8 2670 1 1 21 GLU HB3 H 12.064 0.902 -2.863 1.00 . A A . 20 GLU HB3 1 1 8 2671 1 1 21 GLU HE2 H 12.449 2.463 -4.739 1.00 . A A . 20 GLU HE2 1 1 8 2672 1 1 21 GLU HG2 H 13.639 -0.738 -4.935 1.00 . A A . 20 GLU HG2 1 1 8 2673 1 1 21 GLU HG3 H 12.291 0.320 -5.349 1.00 . A A . 20 GLU HG3 1 1 8 2674 1 1 21 GLU N N 12.562 -1.013 -1.021 1.00 . A A . 20 GLU N 1 1 8 2675 1 1 21 GLU O O 15.767 -0.184 -1.788 1.00 . A A . 20 GLU O 1 1 8 2676 1 1 21 GLU OE1 O 15.295 1.276 -4.843 1.00 . A A . 20 GLU OE1 1 1 8 2677 1 1 21 GLU OE2 O 13.400 2.582 -4.807 1.00 . A A . 20 GLU OE2 1 1 8 2678 1 1 22 NH2 HN1 H 14.364 1.137 -0.095 1.00 . A A . 21 NH2 HN1 1 1 8 2679 1 1 22 NH2 HN2 H 13.533 1.827 -1.497 1.00 . A A . 21 NH2 HN2 1 1 8 2680 1 1 22 NH2 N N 14.359 1.373 -1.089 1.00 . A A . 21 NH2 N 1 1 9 2681 1 1 2 GLU C C -12.998 -2.769 -2.345 1.00 . A A . 1 ACE C 1 1 9 2682 1 1 2 GLU CA C -14.095 -0.891 -1.138 1.00 . A A . 1 ACE CA 1 1 9 2683 1 1 2 GLU CB C -15.200 -0.854 -0.032 1.00 . A A . 1 ACE CB 1 1 9 2684 1 1 2 GLU CD C -16.470 -3.136 -0.010 1.00 . A A . 1 ACE CD 1 1 9 2685 1 1 2 GLU CG C -16.514 -1.626 -0.271 1.00 . A A . 1 ACE CG 1 1 9 2686 1 1 2 GLU H H -14.127 -3.012 -0.735 1.00 . A A . 1 ACE H 1 1 9 2687 1 1 2 GLU HA H -14.612 -0.618 -2.074 1.00 . A A . 1 ACE HA 1 1 9 2688 1 1 2 GLU HB2 H -14.755 -1.087 0.951 1.00 . A A . 1 ACE HB2 1 1 9 2689 1 1 2 GLU HB3 H -15.528 0.189 0.067 1.00 . A A . 1 ACE HB3 1 1 9 2690 1 1 2 GLU HE2 H -16.480 -2.640 1.872 1.00 . A A . 1 ACE HE2 1 1 9 2691 1 1 2 GLU HG2 H -17.289 -1.181 0.380 1.00 . A A . 1 ACE HG2 1 1 9 2692 1 1 2 GLU HG3 H -16.859 -1.426 -1.303 1.00 . A A . 1 ACE HG3 1 1 9 2693 1 1 2 GLU N N -13.611 -2.291 -1.248 1.00 . A A . 1 ACE N 1 1 9 2694 1 1 2 GLU O O -12.640 -2.067 -3.295 1.00 . A A . 1 ACE O 1 1 9 2695 1 1 2 GLU OE1 O -16.448 -3.978 -0.908 1.00 . A A . 1 ACE OE1 1 1 9 2696 1 1 2 GLU OE2 O -16.459 -3.431 1.329 1.00 . A A . 1 ACE OE2 1 1 9 2697 1 1 3 SER C C -11.244 2.090 0.792 1.00 . A A . 2 SER C 1 1 9 2698 1 1 3 SER CA C -12.366 2.470 -0.180 1.00 . A A . 2 SER CA 1 1 9 2699 1 1 3 SER CB C -13.150 3.709 0.271 1.00 . A A . 2 SER CB 1 1 9 2700 1 1 3 SER H H -14.328 1.453 -0.371 1.00 . A A . 2 SER H 1 1 9 2701 1 1 3 SER HA H -11.923 2.751 -1.134 1.00 . A A . 2 SER HA 1 1 9 2702 1 1 3 SER HB2 H -14.066 3.841 -0.324 1.00 . A A . 2 SER HB2 1 1 9 2703 1 1 3 SER HB3 H -13.489 3.555 1.296 1.00 . A A . 2 SER HB3 1 1 9 2704 1 1 3 SER HG H -12.909 5.602 0.511 1.00 . A A . 2 SER HG 1 1 9 2705 1 1 3 SER N N -13.312 1.353 -0.443 1.00 . A A . 2 SER N 1 1 9 2706 1 1 3 SER O O -10.076 2.244 0.446 1.00 . A A . 2 SER O 1 1 9 2707 1 1 3 SER OG O -12.353 4.885 0.197 1.00 . A A . 2 SER OG 1 1 9 2708 1 1 4 ALA C C -9.988 -0.312 2.765 1.00 . A A . 3 ALA C 1 1 9 2709 1 1 4 ALA CA C -10.644 1.100 2.995 1.00 . A A . 3 ALA CA 1 1 9 2710 1 1 4 ALA CB C -11.319 1.188 4.360 1.00 . A A . 3 ALA CB 1 1 9 2711 1 1 4 ALA H H -12.641 1.505 2.036 1.00 . A A . 3 ALA H 1 1 9 2712 1 1 4 ALA HA H -9.790 1.800 2.931 1.00 . A A . 3 ALA HA 1 1 9 2713 1 1 4 ALA HB1 H -12.161 0.471 4.423 1.00 . A A . 3 ALA HB1 1 1 9 2714 1 1 4 ALA HB2 H -10.604 0.942 5.164 1.00 . A A . 3 ALA HB2 1 1 9 2715 1 1 4 ALA HB3 H -11.711 2.202 4.550 1.00 . A A . 3 ALA HB3 1 1 9 2716 1 1 4 ALA N N -11.623 1.576 1.975 1.00 . A A . 3 ALA N 1 1 9 2717 1 1 4 ALA O O -9.472 -0.981 3.665 1.00 . A A . 3 ALA O 1 1 9 2718 1 1 5 LYS C C -8.934 -1.632 -0.590 1.00 . A A . 4 LYS C 1 1 9 2719 1 1 5 LYS CA C -9.507 -1.920 0.864 1.00 . A A . 4 LYS CA 1 1 9 2720 1 1 5 LYS CB C -10.537 -3.072 0.957 1.00 . A A . 4 LYS CB 1 1 9 2721 1 1 5 LYS CD C -11.026 -5.594 1.019 1.00 . A A . 4 LYS CD 1 1 9 2722 1 1 5 LYS CE C -10.520 -7.037 0.822 1.00 . A A . 4 LYS CE 1 1 9 2723 1 1 5 LYS CG C -9.966 -4.495 0.784 1.00 . A A . 4 LYS CG 1 1 9 2724 1 1 5 LYS H H -10.662 -0.058 1.002 1.00 . A A . 4 LYS H 1 1 9 2725 1 1 5 LYS HA H -8.602 -2.107 1.452 1.00 . A A . 4 LYS HA 1 1 9 2726 1 1 5 LYS HB2 H -11.041 -3.026 1.941 1.00 . A A . 4 LYS HB2 1 1 9 2727 1 1 5 LYS HB3 H -11.331 -2.888 0.212 1.00 . A A . 4 LYS HB3 1 1 9 2728 1 1 5 LYS HD2 H -11.403 -5.503 2.055 1.00 . A A . 4 LYS HD2 1 1 9 2729 1 1 5 LYS HD3 H -11.911 -5.418 0.378 1.00 . A A . 4 LYS HD3 1 1 9 2730 1 1 5 LYS HE2 H -9.604 -7.212 1.417 1.00 . A A . 4 LYS HE2 1 1 9 2731 1 1 5 LYS HE3 H -11.272 -7.743 1.219 1.00 . A A . 4 LYS HE3 1 1 9 2732 1 1 5 LYS HG2 H -9.541 -4.606 -0.230 1.00 . A A . 4 LYS HG2 1 1 9 2733 1 1 5 LYS HG3 H -9.122 -4.644 1.483 1.00 . A A . 4 LYS HG3 1 1 9 2734 1 1 5 LYS HZ1 H -9.565 -6.737 -0.986 1.00 . A A . 4 LYS HZ1 1 1 9 2735 1 1 5 LYS HZ3 H -11.114 -7.234 -1.147 1.00 . A A . 4 LYS HZ3 1 1 9 2736 1 1 5 LYS N N -10.056 -0.705 1.501 1.00 . A A . 4 LYS N 1 1 9 2737 1 1 5 LYS NZ N -10.264 -7.376 -0.591 1.00 . A A . 4 LYS NZ 1 1 9 2738 1 1 5 LYS O O -8.687 -2.531 -1.396 1.00 . A A . 4 LYS O 1 1 9 2739 1 1 6 HIS C C -7.055 1.255 -1.542 1.00 . A A . 5 HIS C 1 1 9 2740 1 1 6 HIS CA C -8.167 0.293 -2.080 1.00 . A A . 5 HIS CA 1 1 9 2741 1 1 6 HIS CB C -9.236 0.936 -2.990 1.00 . A A . 5 HIS CB 1 1 9 2742 1 1 6 HIS CD2 C -7.904 0.610 -5.188 1.00 . A A . 5 HIS CD2 1 1 9 2743 1 1 6 HIS CE1 C -8.050 2.559 -5.963 1.00 . A A . 5 HIS CE1 1 1 9 2744 1 1 6 HIS CG C -8.649 1.416 -4.311 1.00 . A A . 5 HIS CG 1 1 9 2745 1 1 6 HIS H H -9.368 0.209 -0.269 1.00 . A A . 5 HIS H 1 1 9 2746 1 1 6 HIS HA H -7.620 -0.495 -2.605 1.00 . A A . 5 HIS HA 1 1 9 2747 1 1 6 HIS HB2 H -10.030 0.198 -3.214 1.00 . A A . 5 HIS HB2 1 1 9 2748 1 1 6 HIS HB3 H -9.746 1.764 -2.461 1.00 . A A . 5 HIS HB3 1 1 9 2749 1 1 6 HIS HD2 H -7.669 -0.433 -5.031 1.00 . A A . 5 HIS HD2 1 1 9 2750 1 1 6 HIS HE1 H -7.921 3.400 -6.629 1.00 . A A . 5 HIS HE1 1 1 9 2751 1 1 6 HIS HE2 H -6.951 1.065 -7.102 1.00 . A A . 5 HIS HE2 1 1 9 2752 1 1 6 HIS N N -8.738 -0.334 -0.872 1.00 . A A . 5 HIS N 1 1 9 2753 1 1 6 HIS ND1 N -8.758 2.714 -4.797 1.00 . A A . 5 HIS ND1 1 1 9 2754 1 1 6 HIS NE2 N -7.506 1.344 -6.286 1.00 . A A . 5 HIS NE2 1 1 9 2755 1 1 6 HIS O O -5.967 1.278 -2.120 1.00 . A A . 5 HIS O 1 1 9 2756 1 1 7 MET C C -5.417 2.034 0.968 1.00 . A A . 6 MET C 1 1 9 2757 1 1 7 MET CA C -6.351 2.970 0.159 1.00 . A A . 6 MET CA 1 1 9 2758 1 1 7 MET CB C -6.988 4.130 0.977 1.00 . A A . 6 MET CB 1 1 9 2759 1 1 7 MET CE C -9.333 4.685 4.382 1.00 . A A . 6 MET CE 1 1 9 2760 1 1 7 MET CG C -7.962 3.813 2.124 1.00 . A A . 6 MET CG 1 1 9 2761 1 1 7 MET H H -8.149 1.808 0.043 1.00 . A A . 6 MET H 1 1 9 2762 1 1 7 MET HA H -5.710 3.372 -0.629 1.00 . A A . 6 MET HA 1 1 9 2763 1 1 7 MET HB2 H -6.169 4.721 1.416 1.00 . A A . 6 MET HB2 1 1 9 2764 1 1 7 MET HB3 H -7.520 4.810 0.290 1.00 . A A . 6 MET HB3 1 1 9 2765 1 1 7 MET HE1 H -9.193 3.668 4.790 1.00 . A A . 6 MET HE1 1 1 9 2766 1 1 7 MET HE2 H -10.279 4.701 3.811 1.00 . A A . 6 MET HE2 1 1 9 2767 1 1 7 MET HE3 H -9.434 5.385 5.231 1.00 . A A . 6 MET HE3 1 1 9 2768 1 1 7 MET HG2 H -8.987 3.703 1.738 1.00 . A A . 6 MET HG2 1 1 9 2769 1 1 7 MET HG3 H -7.709 2.868 2.629 1.00 . A A . 6 MET HG3 1 1 9 2770 1 1 7 MET N N -7.330 2.079 -0.492 1.00 . A A . 6 MET N 1 1 9 2771 1 1 7 MET O O -4.215 2.118 0.761 1.00 . A A . 6 MET O 1 1 9 2772 1 1 7 MET SD S -7.942 5.158 3.335 1.00 . A A . 6 MET SD 1 1 9 2773 1 1 8 PHE C C -4.397 -0.848 1.675 1.00 . A A . 7 PHE C 1 1 9 2774 1 1 8 PHE CA C -5.158 0.146 2.602 1.00 . A A . 7 PHE CA 1 1 9 2775 1 1 8 PHE CB C -6.122 -0.575 3.569 1.00 . A A . 7 PHE CB 1 1 9 2776 1 1 8 PHE CD1 C -5.336 -0.221 5.953 1.00 . A A . 7 PHE CD1 1 1 9 2777 1 1 8 PHE CD2 C -7.235 1.052 5.172 1.00 . A A . 7 PHE CD2 1 1 9 2778 1 1 8 PHE CE1 C -5.415 0.420 7.185 1.00 . A A . 7 PHE CE1 1 1 9 2779 1 1 8 PHE CE2 C -7.314 1.691 6.403 1.00 . A A . 7 PHE CE2 1 1 9 2780 1 1 8 PHE CG C -6.244 0.093 4.939 1.00 . A A . 7 PHE CG 1 1 9 2781 1 1 8 PHE CZ C -6.405 1.376 7.413 1.00 . A A . 7 PHE CZ 1 1 9 2782 1 1 8 PHE H H -6.961 1.066 1.797 1.00 . A A . 7 PHE H 1 1 9 2783 1 1 8 PHE HA H -4.399 0.704 3.158 1.00 . A A . 7 PHE HA 1 1 9 2784 1 1 8 PHE HB2 H -7.108 -0.606 3.091 1.00 . A A . 7 PHE HB2 1 1 9 2785 1 1 8 PHE HB3 H -5.861 -1.644 3.689 1.00 . A A . 7 PHE HB3 1 1 9 2786 1 1 8 PHE HD1 H -4.556 -0.951 5.787 1.00 . A A . 7 PHE HD1 1 1 9 2787 1 1 8 PHE HD2 H -7.942 1.314 4.398 1.00 . A A . 7 PHE HD2 1 1 9 2788 1 1 8 PHE HE1 H -4.695 0.171 7.946 1.00 . A A . 7 PHE HE1 1 1 9 2789 1 1 8 PHE HE2 H -8.082 2.432 6.554 1.00 . A A . 7 PHE HE2 1 1 9 2790 1 1 8 PHE HZ H -6.463 1.877 8.368 1.00 . A A . 7 PHE HZ 1 1 9 2791 1 1 8 PHE N N -5.943 1.138 1.829 1.00 . A A . 7 PHE N 1 1 9 2792 1 1 8 PHE O O -3.289 -1.258 2.025 1.00 . A A . 7 PHE O 1 1 9 2793 1 1 9 ASP C C -3.085 -1.395 -1.064 1.00 . A A . 8 ASP C 1 1 9 2794 1 1 9 ASP CA C -4.335 -2.129 -0.480 1.00 . A A . 8 ASP CA 1 1 9 2795 1 1 9 ASP CB C -5.346 -2.487 -1.594 1.00 . A A . 8 ASP CB 1 1 9 2796 1 1 9 ASP CG C -4.915 -3.634 -2.519 1.00 . A A . 8 ASP CG 1 1 9 2797 1 1 9 ASP H H -5.998 -1.011 0.525 1.00 . A A . 8 ASP H 1 1 9 2798 1 1 9 ASP HA H -4.062 -3.079 0.020 1.00 . A A . 8 ASP HA 1 1 9 2799 1 1 9 ASP HB2 H -6.290 -2.772 -1.119 1.00 . A A . 8 ASP HB2 1 1 9 2800 1 1 9 ASP HB3 H -5.604 -1.596 -2.196 1.00 . A A . 8 ASP HB3 1 1 9 2801 1 1 9 ASP HD2 H -4.220 -2.222 -3.665 1.00 . A A . 8 ASP HD2 1 1 9 2802 1 1 9 ASP N N -4.993 -1.235 0.521 1.00 . A A . 8 ASP N 1 1 9 2803 1 1 9 ASP O O -1.998 -1.975 -1.093 1.00 . A A . 8 ASP O 1 1 9 2804 1 1 9 ASP OD1 O -5.116 -4.821 -2.266 1.00 . A A . 8 ASP OD1 1 1 9 2805 1 1 9 ASP OD2 O -4.283 -3.179 -3.649 1.00 . A A . 8 ASP OD2 1 1 9 2806 1 1 10 ARG C C -1.133 1.012 -0.932 1.00 . A A . 9 ARG C 1 1 9 2807 1 1 10 ARG CA C -2.185 0.741 -2.028 1.00 . A A . 9 ARG CA 1 1 9 2808 1 1 10 ARG CB C -2.716 2.056 -2.640 1.00 . A A . 9 ARG CB 1 1 9 2809 1 1 10 ARG CD C -3.936 3.206 -4.594 1.00 . A A . 9 ARG CD 1 1 9 2810 1 1 10 ARG CG C -3.343 1.894 -4.043 1.00 . A A . 9 ARG CG 1 1 9 2811 1 1 10 ARG CZ C -4.818 4.052 -6.782 1.00 . A A . 9 ARG CZ 1 1 9 2812 1 1 10 ARG H H -4.248 0.200 -1.405 1.00 . A A . 9 ARG H 1 1 9 2813 1 1 10 ARG HA H -1.668 0.152 -2.787 1.00 . A A . 9 ARG HA 1 1 9 2814 1 1 10 ARG HB2 H -3.435 2.533 -1.946 1.00 . A A . 9 ARG HB2 1 1 9 2815 1 1 10 ARG HB3 H -1.877 2.773 -2.722 1.00 . A A . 9 ARG HB3 1 1 9 2816 1 1 10 ARG HD2 H -4.809 3.511 -3.986 1.00 . A A . 9 ARG HD2 1 1 9 2817 1 1 10 ARG HD3 H -3.191 4.021 -4.506 1.00 . A A . 9 ARG HD3 1 1 9 2818 1 1 10 ARG HG2 H -2.565 1.511 -4.733 1.00 . A A . 9 ARG HG2 1 1 9 2819 1 1 10 ARG HG3 H -4.129 1.116 -4.020 1.00 . A A . 9 ARG HG3 1 1 9 2820 1 1 10 ARG HH11 H -4.779 5.485 -5.370 1.00 . A A . 9 ARG HH11 1 1 9 2821 1 1 10 ARG HH12 H -5.391 5.965 -7.032 1.00 . A A . 9 ARG HH12 1 1 9 2822 1 1 10 ARG HH21 H -4.955 2.813 -8.349 1.00 . A A . 9 ARG HH21 1 1 9 2823 1 1 10 ARG HH22 H -5.483 4.552 -8.603 1.00 . A A . 9 ARG HH22 1 1 9 2824 1 1 10 ARG N N -3.272 -0.121 -1.502 1.00 . A A . 9 ARG N 1 1 9 2825 1 1 10 ARG NE N -4.334 3.056 -6.014 1.00 . A A . 9 ARG NE 1 1 9 2826 1 1 10 ARG NH1 N -5.017 5.296 -6.350 1.00 . A A . 9 ARG NH1 1 1 9 2827 1 1 10 ARG NH2 N -5.116 3.777 -8.039 1.00 . A A . 9 ARG NH2 1 1 9 2828 1 1 10 ARG O O 0.028 0.655 -1.125 1.00 . A A . 9 ARG O 1 1 9 2829 1 1 11 ILE C C 0.233 0.615 1.788 1.00 . A A . 10 ILE C 1 1 9 2830 1 1 11 ILE CA C -0.649 1.849 1.400 1.00 . A A . 10 ILE CA 1 1 9 2831 1 1 11 ILE CB C -1.595 2.396 2.515 1.00 . A A . 10 ILE CB 1 1 9 2832 1 1 11 ILE CD1 C -3.293 4.316 2.932 1.00 . A A . 10 ILE CD1 1 1 9 2833 1 1 11 ILE CG1 C -2.050 3.843 2.183 1.00 . A A . 10 ILE CG1 1 1 9 2834 1 1 11 ILE CG2 C -1.096 2.280 3.965 1.00 . A A . 10 ILE CG2 1 1 9 2835 1 1 11 ILE H H -2.541 1.821 0.301 1.00 . A A . 10 ILE H 1 1 9 2836 1 1 11 ILE HA H 0.033 2.651 1.109 1.00 . A A . 10 ILE HA 1 1 9 2837 1 1 11 ILE HB H -2.474 1.747 2.495 1.00 . A A . 10 ILE HB 1 1 9 2838 1 1 11 ILE HD11 H -4.097 3.561 2.875 1.00 . A A . 10 ILE HD11 1 1 9 2839 1 1 11 ILE HD12 H -3.075 4.495 3.996 1.00 . A A . 10 ILE HD12 1 1 9 2840 1 1 11 ILE HD13 H -3.678 5.245 2.479 1.00 . A A . 10 ILE HD13 1 1 9 2841 1 1 11 ILE HG12 H -1.208 4.538 2.318 1.00 . A A . 10 ILE HG12 1 1 9 2842 1 1 11 ILE HG13 H -2.304 3.908 1.112 1.00 . A A . 10 ILE HG13 1 1 9 2843 1 1 11 ILE HG21 H -0.897 1.224 4.221 1.00 . A A . 10 ILE HG21 1 1 9 2844 1 1 11 ILE HG22 H -1.870 2.620 4.676 1.00 . A A . 10 ILE HG22 1 1 9 2845 1 1 11 ILE HG23 H -0.176 2.865 4.126 1.00 . A A . 10 ILE HG23 1 1 9 2846 1 1 11 ILE N N -1.535 1.582 0.219 1.00 . A A . 10 ILE N 1 1 9 2847 1 1 11 ILE O O 1.430 0.761 2.052 1.00 . A A . 10 ILE O 1 1 9 2848 1 1 12 GLY C C 1.417 -2.294 1.110 1.00 . A A . 11 GLY C 1 1 9 2849 1 1 12 GLY CA C 0.274 -1.865 2.072 1.00 . A A . 11 GLY CA 1 1 9 2850 1 1 12 GLY H H -1.406 -0.483 1.640 1.00 . A A . 11 GLY H 1 1 9 2851 1 1 12 GLY HA2 H 0.669 -1.810 3.097 1.00 . A A . 11 GLY HA2 1 1 9 2852 1 1 12 GLY HA3 H -0.493 -2.650 2.022 1.00 . A A . 11 GLY HA3 1 1 9 2853 1 1 12 GLY N N -0.397 -0.576 1.797 1.00 . A A . 11 GLY N 1 1 9 2854 1 1 12 GLY O O 2.185 -3.194 1.449 1.00 . A A . 11 GLY O 1 1 9 2855 1 1 13 LYS C C 2.850 -0.605 -1.913 1.00 . A A . 12 LYS C 1 1 9 2856 1 1 13 LYS CA C 2.478 -1.923 -1.142 1.00 . A A . 12 LYS CA 1 1 9 2857 1 1 13 LYS CB C 2.172 -3.158 -2.038 1.00 . A A . 12 LYS CB 1 1 9 2858 1 1 13 LYS CD C 0.605 -4.360 -3.704 1.00 . A A . 12 LYS CD 1 1 9 2859 1 1 13 LYS CE C -0.735 -4.292 -4.461 1.00 . A A . 12 LYS CE 1 1 9 2860 1 1 13 LYS CG C 0.876 -3.087 -2.881 1.00 . A A . 12 LYS CG 1 1 9 2861 1 1 13 LYS H H 0.585 -1.186 -0.288 1.00 . A A . 12 LYS H 1 1 9 2862 1 1 13 LYS HA H 3.417 -2.096 -0.592 1.00 . A A . 12 LYS HA 1 1 9 2863 1 1 13 LYS HB2 H 3.033 -3.333 -2.712 1.00 . A A . 12 LYS HB2 1 1 9 2864 1 1 13 LYS HB3 H 2.136 -4.060 -1.397 1.00 . A A . 12 LYS HB3 1 1 9 2865 1 1 13 LYS HD2 H 1.436 -4.520 -4.418 1.00 . A A . 12 LYS HD2 1 1 9 2866 1 1 13 LYS HD3 H 0.608 -5.240 -3.032 1.00 . A A . 12 LYS HD3 1 1 9 2867 1 1 13 LYS HE2 H -1.571 -4.140 -3.753 1.00 . A A . 12 LYS HE2 1 1 9 2868 1 1 13 LYS HE3 H -0.748 -3.425 -5.147 1.00 . A A . 12 LYS HE3 1 1 9 2869 1 1 13 LYS HG2 H 0.020 -2.908 -2.208 1.00 . A A . 12 LYS HG2 1 1 9 2870 1 1 13 LYS HG3 H 0.916 -2.210 -3.555 1.00 . A A . 12 LYS HG3 1 1 9 2871 1 1 13 LYS HZ1 H -1.894 -5.466 -5.702 1.00 . A A . 12 LYS HZ1 1 1 9 2872 1 1 13 LYS HZ3 H -1.042 -6.328 -4.604 1.00 . A A . 12 LYS HZ3 1 1 9 2873 1 1 13 LYS N N 1.443 -1.712 -0.100 1.00 . A A . 12 LYS N 1 1 9 2874 1 1 13 LYS NZ N -0.982 -5.521 -5.235 1.00 . A A . 12 LYS NZ 1 1 9 2875 1 1 13 LYS O O 3.107 -0.610 -3.120 1.00 . A A . 12 LYS O 1 1 9 2876 1 1 14 ASP C C 4.372 2.273 -0.641 1.00 . A A . 13 ASP C 1 1 9 2877 1 1 14 ASP CA C 3.314 1.863 -1.647 1.00 . A A . 13 ASP CA 1 1 9 2878 1 1 14 ASP CB C 2.145 2.836 -1.806 1.00 . A A . 13 ASP CB 1 1 9 2879 1 1 14 ASP CG C 2.448 4.078 -2.651 1.00 . A A . 13 ASP CG 1 1 9 2880 1 1 14 ASP H H 2.516 0.453 -0.226 1.00 . A A . 13 ASP H 1 1 9 2881 1 1 14 ASP HA H 3.870 1.766 -2.565 1.00 . A A . 13 ASP HA 1 1 9 2882 1 1 14 ASP HB2 H 1.284 2.289 -2.196 1.00 . A A . 13 ASP HB2 1 1 9 2883 1 1 14 ASP HB3 H 1.834 3.138 -0.806 1.00 . A A . 13 ASP HB3 1 1 9 2884 1 1 14 ASP HD2 H 1.975 2.953 -4.167 1.00 . A A . 13 ASP HD2 1 1 9 2885 1 1 14 ASP N N 2.928 0.516 -1.166 1.00 . A A . 13 ASP N 1 1 9 2886 1 1 14 ASP O O 5.508 2.478 -1.065 1.00 . A A . 13 ASP O 1 1 9 2887 1 1 14 ASP OD1 O 2.819 5.149 -2.171 1.00 . A A . 13 ASP OD1 1 1 9 2888 1 1 14 ASP OD2 O 2.264 3.851 -3.991 1.00 . A A . 13 ASP OD2 1 1 9 2889 1 1 15 VAL C C 5.370 1.534 2.551 1.00 . A A . 14 VAL C 1 1 9 2890 1 1 15 VAL CA C 5.034 2.797 1.676 1.00 . A A . 14 VAL CA 1 1 9 2891 1 1 15 VAL CB C 4.792 4.113 2.424 1.00 . A A . 14 VAL CB 1 1 9 2892 1 1 15 VAL CG1 C 4.759 5.279 1.424 1.00 . A A . 14 VAL CG1 1 1 9 2893 1 1 15 VAL CG2 C 3.535 4.076 3.310 1.00 . A A . 14 VAL CG2 1 1 9 2894 1 1 15 VAL H H 3.091 2.112 0.882 1.00 . A A . 14 VAL H 1 1 9 2895 1 1 15 VAL HA H 5.988 2.927 1.138 1.00 . A A . 14 VAL HA 1 1 9 2896 1 1 15 VAL HB H 5.693 4.249 3.045 1.00 . A A . 14 VAL HB 1 1 9 2897 1 1 15 VAL HG11 H 3.888 5.191 0.746 1.00 . A A . 14 VAL HG11 1 1 9 2898 1 1 15 VAL HG12 H 4.714 6.248 1.938 1.00 . A A . 14 VAL HG12 1 1 9 2899 1 1 15 VAL HG13 H 5.663 5.256 0.785 1.00 . A A . 14 VAL HG13 1 1 9 2900 1 1 15 VAL HG21 H 3.594 3.253 4.047 1.00 . A A . 14 VAL HG21 1 1 9 2901 1 1 15 VAL HG22 H 2.626 3.899 2.704 1.00 . A A . 14 VAL HG22 1 1 9 2902 1 1 15 VAL HG23 H 3.407 5.017 3.867 1.00 . A A . 14 VAL HG23 1 1 9 2903 1 1 15 VAL N N 4.008 2.483 0.642 1.00 . A A . 14 VAL N 1 1 9 2904 1 1 15 VAL O O 5.495 1.499 3.777 1.00 . A A . 14 VAL O 1 1 9 2905 1 1 16 TYR C C 6.891 -1.166 0.766 1.00 . A A . 15 TYR C 1 1 9 2906 1 1 16 TYR CA C 5.977 -0.851 1.985 1.00 . A A . 15 TYR CA 1 1 9 2907 1 1 16 TYR CB C 4.834 -1.845 2.248 1.00 . A A . 15 TYR CB 1 1 9 2908 1 1 16 TYR CD1 C 5.890 -3.649 3.700 1.00 . A A . 15 TYR CD1 1 1 9 2909 1 1 16 TYR CD2 C 5.353 -4.197 1.409 1.00 . A A . 15 TYR CD2 1 1 9 2910 1 1 16 TYR CE1 C 6.466 -4.906 3.865 1.00 . A A . 15 TYR CE1 1 1 9 2911 1 1 16 TYR CE2 C 5.931 -5.453 1.575 1.00 . A A . 15 TYR CE2 1 1 9 2912 1 1 16 TYR CG C 5.329 -3.286 2.472 1.00 . A A . 15 TYR CG 1 1 9 2913 1 1 16 TYR CZ C 6.486 -5.809 2.803 1.00 . A A . 15 TYR CZ 1 1 9 2914 1 1 16 TYR H H 5.143 0.832 0.817 1.00 . A A . 15 TYR H 1 1 9 2915 1 1 16 TYR HA H 6.624 -0.808 2.857 1.00 . A A . 15 TYR HA 1 1 9 2916 1 1 16 TYR HB2 H 4.237 -1.512 3.119 1.00 . A A . 15 TYR HB2 1 1 9 2917 1 1 16 TYR HB3 H 4.143 -1.791 1.396 1.00 . A A . 15 TYR HB3 1 1 9 2918 1 1 16 TYR HD1 H 5.928 -2.939 4.513 1.00 . A A . 15 TYR HD1 1 1 9 2919 1 1 16 TYR HD2 H 4.972 -3.918 0.435 1.00 . A A . 15 TYR HD2 1 1 9 2920 1 1 16 TYR HE1 H 6.918 -5.161 4.813 1.00 . A A . 15 TYR HE1 1 1 9 2921 1 1 16 TYR HE2 H 5.969 -6.134 0.739 1.00 . A A . 15 TYR HE2 1 1 9 2922 1 1 16 TYR HH H 7.414 -7.113 3.853 1.00 . A A . 15 TYR HH 1 1 9 2923 1 1 16 TYR N N 5.578 0.529 1.720 1.00 . A A . 15 TYR N 1 1 9 2924 1 1 16 TYR O O 7.966 -1.728 0.983 1.00 . A A . 15 TYR O 1 1 9 2925 1 1 16 TYR OH O 7.078 -7.038 2.957 1.00 . A A . 15 TYR OH 1 1 9 2926 1 1 17 ASP C C 8.404 0.011 -1.754 1.00 . A A . 16 ASP C 1 1 9 2927 1 1 17 ASP CA C 7.330 -1.109 -1.675 1.00 . A A . 16 ASP CA 1 1 9 2928 1 1 17 ASP CB C 6.503 -1.358 -2.942 1.00 . A A . 16 ASP CB 1 1 9 2929 1 1 17 ASP CG C 7.293 -1.913 -4.135 1.00 . A A . 16 ASP CG 1 1 9 2930 1 1 17 ASP H H 5.632 -0.289 -0.525 1.00 . A A . 16 ASP H 1 1 9 2931 1 1 17 ASP HA H 7.915 -1.989 -1.446 1.00 . A A . 16 ASP HA 1 1 9 2932 1 1 17 ASP HB2 H 5.667 -2.051 -2.728 1.00 . A A . 16 ASP HB2 1 1 9 2933 1 1 17 ASP HB3 H 6.037 -0.408 -3.206 1.00 . A A . 16 ASP HB3 1 1 9 2934 1 1 17 ASP HD2 H 7.513 -0.046 -4.643 1.00 . A A . 16 ASP HD2 1 1 9 2935 1 1 17 ASP N N 6.464 -0.895 -0.498 1.00 . A A . 16 ASP N 1 1 9 2936 1 1 17 ASP O O 9.535 -0.312 -2.122 1.00 . A A . 16 ASP O 1 1 9 2937 1 1 17 ASP OD1 O 7.480 -3.115 -4.323 1.00 . A A . 16 ASP OD1 1 1 9 2938 1 1 17 ASP OD2 O 7.762 -0.919 -4.957 1.00 . A A . 16 ASP OD2 1 1 9 2939 1 1 18 LYS C C 10.130 2.175 -0.236 1.00 . A A . 17 LYS C 1 1 9 2940 1 1 18 LYS CA C 9.107 2.372 -1.418 1.00 . A A . 17 LYS CA 1 1 9 2941 1 1 18 LYS CB C 8.440 3.773 -1.359 1.00 . A A . 17 LYS CB 1 1 9 2942 1 1 18 LYS CD C 6.859 5.479 -2.467 1.00 . A A . 17 LYS CD 1 1 9 2943 1 1 18 LYS CE C 6.081 5.863 -3.739 1.00 . A A . 17 LYS CE 1 1 9 2944 1 1 18 LYS CG C 7.691 4.194 -2.646 1.00 . A A . 17 LYS CG 1 1 9 2945 1 1 18 LYS H H 7.149 1.474 -1.056 1.00 . A A . 17 LYS H 1 1 9 2946 1 1 18 LYS HA H 9.666 2.290 -2.359 1.00 . A A . 17 LYS HA 1 1 9 2947 1 1 18 LYS HB2 H 7.760 3.822 -0.486 1.00 . A A . 17 LYS HB2 1 1 9 2948 1 1 18 LYS HB3 H 9.212 4.540 -1.158 1.00 . A A . 17 LYS HB3 1 1 9 2949 1 1 18 LYS HD2 H 6.149 5.341 -1.629 1.00 . A A . 17 LYS HD2 1 1 9 2950 1 1 18 LYS HD3 H 7.527 6.309 -2.167 1.00 . A A . 17 LYS HD3 1 1 9 2951 1 1 18 LYS HE2 H 6.775 6.012 -4.587 1.00 . A A . 17 LYS HE2 1 1 9 2952 1 1 18 LYS HE3 H 5.398 5.045 -4.035 1.00 . A A . 17 LYS HE3 1 1 9 2953 1 1 18 LYS HG2 H 8.421 4.328 -3.467 1.00 . A A . 17 LYS HG2 1 1 9 2954 1 1 18 LYS HG3 H 7.023 3.377 -2.979 1.00 . A A . 17 LYS HG3 1 1 9 2955 1 1 18 LYS HZ1 H 5.921 7.880 -3.331 1.00 . A A . 17 LYS HZ1 1 1 9 2956 1 1 18 LYS HZ3 H 4.812 7.347 -4.408 1.00 . A A . 17 LYS HZ3 1 1 9 2957 1 1 18 LYS N N 8.093 1.291 -1.428 1.00 . A A . 17 LYS N 1 1 9 2958 1 1 18 LYS NZ N 5.296 7.094 -3.539 1.00 . A A . 17 LYS NZ 1 1 9 2959 1 1 18 LYS O O 11.245 2.695 -0.336 1.00 . A A . 17 LYS O 1 1 9 2960 1 1 19 VAL C C 11.587 -0.064 1.697 1.00 . A A . 18 VAL C 1 1 9 2961 1 1 19 VAL CA C 10.664 1.142 1.998 1.00 . A A . 18 VAL CA 1 1 9 2962 1 1 19 VAL CB C 9.922 1.074 3.372 1.00 . A A . 18 VAL CB 1 1 9 2963 1 1 19 VAL CG1 C 8.865 2.176 3.612 1.00 . A A . 18 VAL CG1 1 1 9 2964 1 1 19 VAL CG2 C 9.338 -0.280 3.819 1.00 . A A . 18 VAL CG2 1 1 9 2965 1 1 19 VAL H H 8.915 0.884 0.788 1.00 . A A . 18 VAL H 1 1 9 2966 1 1 19 VAL HA H 11.340 1.989 2.050 1.00 . A A . 18 VAL HA 1 1 9 2967 1 1 19 VAL HB H 10.733 1.244 4.056 1.00 . A A . 18 VAL HB 1 1 9 2968 1 1 19 VAL HG11 H 8.453 2.146 4.638 1.00 . A A . 18 VAL HG11 1 1 9 2969 1 1 19 VAL HG12 H 9.282 3.184 3.450 1.00 . A A . 18 VAL HG12 1 1 9 2970 1 1 19 VAL HG13 H 8.013 2.063 2.920 1.00 . A A . 18 VAL HG13 1 1 9 2971 1 1 19 VAL HG21 H 8.766 -0.209 4.762 1.00 . A A . 18 VAL HG21 1 1 9 2972 1 1 19 VAL HG22 H 8.686 -0.700 3.049 1.00 . A A . 18 VAL HG22 1 1 9 2973 1 1 19 VAL HG23 H 10.143 -1.017 3.994 1.00 . A A . 18 VAL HG23 1 1 9 2974 1 1 19 VAL N N 9.774 1.436 0.856 1.00 . A A . 18 VAL N 1 1 9 2975 1 1 19 VAL O O 12.810 0.038 1.834 1.00 . A A . 18 VAL O 1 1 9 2976 1 1 20 LYS C C 12.659 -2.244 -0.344 1.00 . A A . 19 LYS C 1 1 9 2977 1 1 20 LYS CA C 11.701 -2.431 0.898 1.00 . A A . 19 LYS CA 1 1 9 2978 1 1 20 LYS CB C 10.626 -3.533 0.684 1.00 . A A . 19 LYS CB 1 1 9 2979 1 1 20 LYS CD C 10.001 -6.014 0.530 1.00 . A A . 19 LYS CD 1 1 9 2980 1 1 20 LYS CE C 10.503 -7.467 0.467 1.00 . A A . 19 LYS CE 1 1 9 2981 1 1 20 LYS CG C 11.147 -4.984 0.601 1.00 . A A . 19 LYS CG 1 1 9 2982 1 1 20 LYS H H 9.953 -1.122 1.360 1.00 . A A . 19 LYS H 1 1 9 2983 1 1 20 LYS HA H 12.312 -2.721 1.769 1.00 . A A . 19 LYS HA 1 1 9 2984 1 1 20 LYS HB2 H 9.901 -3.501 1.523 1.00 . A A . 19 LYS HB2 1 1 9 2985 1 1 20 LYS HB3 H 10.030 -3.304 -0.222 1.00 . A A . 19 LYS HB3 1 1 9 2986 1 1 20 LYS HD2 H 9.342 -5.889 1.411 1.00 . A A . 19 LYS HD2 1 1 9 2987 1 1 20 LYS HD3 H 9.368 -5.799 -0.353 1.00 . A A . 19 LYS HD3 1 1 9 2988 1 1 20 LYS HE2 H 11.144 -7.617 -0.421 1.00 . A A . 19 LYS HE2 1 1 9 2989 1 1 20 LYS HE3 H 11.130 -7.698 1.348 1.00 . A A . 19 LYS HE3 1 1 9 2990 1 1 20 LYS HG2 H 11.802 -5.098 -0.282 1.00 . A A . 19 LYS HG2 1 1 9 2991 1 1 20 LYS HG3 H 11.782 -5.198 1.482 1.00 . A A . 19 LYS HG3 1 1 9 2992 1 1 20 LYS HZ1 H 9.735 -9.380 0.341 1.00 . A A . 19 LYS HZ1 1 1 9 2993 1 1 20 LYS HZ3 H 8.825 -8.265 -0.433 1.00 . A A . 19 LYS HZ3 1 1 9 2994 1 1 20 LYS N N 10.975 -1.193 1.290 1.00 . A A . 19 LYS N 1 1 9 2995 1 1 20 LYS NZ N 9.379 -8.420 0.416 1.00 . A A . 19 LYS NZ 1 1 9 2996 1 1 20 LYS O O 13.529 -3.088 -0.574 1.00 . A A . 19 LYS O 1 1 9 2997 1 1 21 GLU C C 14.554 0.064 -1.853 1.00 . A A . 20 GLU C 1 1 9 2998 1 1 21 GLU CA C 13.330 -0.779 -2.276 1.00 . A A . 20 GLU CA 1 1 9 2999 1 1 21 GLU CB C 12.414 -0.165 -3.352 1.00 . A A . 20 GLU CB 1 1 9 3000 1 1 21 GLU CD C 12.089 0.699 -5.733 1.00 . A A . 20 GLU CD 1 1 9 3001 1 1 21 GLU CG C 13.079 0.146 -4.706 1.00 . A A . 20 GLU CG 1 1 9 3002 1 1 21 GLU H H 11.909 -0.417 -0.688 1.00 . A A . 20 GLU H 1 1 9 3003 1 1 21 GLU HA H 13.707 -1.690 -2.682 1.00 . A A . 20 GLU HA 1 1 9 3004 1 1 21 GLU HB2 H 11.561 -0.848 -3.515 1.00 . A A . 20 GLU HB2 1 1 9 3005 1 1 21 GLU HB3 H 11.978 0.749 -2.932 1.00 . A A . 20 GLU HB3 1 1 9 3006 1 1 21 GLU HE2 H 11.324 2.403 -6.283 1.00 . A A . 20 GLU HE2 1 1 9 3007 1 1 21 GLU HG2 H 13.904 0.870 -4.564 1.00 . A A . 20 GLU HG2 1 1 9 3008 1 1 21 GLU HG3 H 13.547 -0.770 -5.110 1.00 . A A . 20 GLU HG3 1 1 9 3009 1 1 21 GLU N N 12.500 -1.139 -1.114 1.00 . A A . 20 GLU N 1 1 9 3010 1 1 21 GLU O O 15.700 -0.368 -1.968 1.00 . A A . 20 GLU O 1 1 9 3011 1 1 21 GLU OE1 O 11.493 -0.006 -6.547 1.00 . A A . 20 GLU OE1 1 1 9 3012 1 1 21 GLU OE2 O 11.946 2.060 -5.637 1.00 . A A . 20 GLU OE2 1 1 9 3013 1 1 22 NH2 HN1 H 13.500 1.679 -1.649 1.00 . A A . 21 NH2 HN1 1 1 9 3014 1 1 22 NH2 HN2 H 14.369 1.001 -0.264 1.00 . A A . 21 NH2 HN2 1 1 9 3015 1 1 22 NH2 N N 14.333 1.222 -1.261 1.00 . A A . 21 NH2 N 1 1 10 3016 1 1 2 GLU C C -13.178 -2.838 -1.872 1.00 . A A . 1 ACE C 1 1 10 3017 1 1 2 GLU CA C -14.150 -0.643 -1.212 1.00 . A A . 1 ACE CA 1 1 10 3018 1 1 2 GLU CB C -15.442 -0.334 -0.377 1.00 . A A . 1 ACE CB 1 1 10 3019 1 1 2 GLU CD C -17.048 -2.385 -0.582 1.00 . A A . 1 ACE CD 1 1 10 3020 1 1 2 GLU CG C -16.791 -0.902 -0.872 1.00 . A A . 1 ACE CG 1 1 10 3021 1 1 2 GLU H H -14.567 -2.642 -0.497 1.00 . A A . 1 ACE H 1 1 10 3022 1 1 2 GLU HA H -14.438 -0.470 -2.264 1.00 . A A . 1 ACE HA 1 1 10 3023 1 1 2 GLU HB2 H -15.276 -0.563 0.694 1.00 . A A . 1 ACE HB2 1 1 10 3024 1 1 2 GLU HB3 H -15.604 0.755 -0.384 1.00 . A A . 1 ACE HB3 1 1 10 3025 1 1 2 GLU HE2 H -17.385 -1.797 1.242 1.00 . A A . 1 ACE HE2 1 1 10 3026 1 1 2 GLU HG2 H -17.602 -0.312 -0.407 1.00 . A A . 1 ACE HG2 1 1 10 3027 1 1 2 GLU HG3 H -16.886 -0.708 -1.956 1.00 . A A . 1 ACE HG3 1 1 10 3028 1 1 2 GLU N N -13.867 -2.088 -1.000 1.00 . A A . 1 ACE N 1 1 10 3029 1 1 2 GLU O O -12.532 -2.384 -2.816 1.00 . A A . 1 ACE O 1 1 10 3030 1 1 2 GLU OE1 O -16.968 -3.266 -1.438 1.00 . A A . 1 ACE OE1 1 1 10 3031 1 1 2 GLU OE2 O -17.374 -2.609 0.731 1.00 . A A . 1 ACE OE2 1 1 10 3032 1 1 3 SER C C -11.117 2.070 0.900 1.00 . A A . 2 SER C 1 1 10 3033 1 1 3 SER CA C -12.157 2.553 -0.130 1.00 . A A . 2 SER CA 1 1 10 3034 1 1 3 SER CB C -12.871 3.821 0.351 1.00 . A A . 2 SER CB 1 1 10 3035 1 1 3 SER H H -14.183 1.754 -0.515 1.00 . A A . 2 SER H 1 1 10 3036 1 1 3 SER HA H -11.637 2.850 -1.041 1.00 . A A . 2 SER HA 1 1 10 3037 1 1 3 SER HB2 H -13.757 4.038 -0.261 1.00 . A A . 2 SER HB2 1 1 10 3038 1 1 3 SER HB3 H -13.253 3.645 1.358 1.00 . A A . 2 SER HB3 1 1 10 3039 1 1 3 SER HG H -11.716 5.065 -0.555 1.00 . A A . 2 SER HG 1 1 10 3040 1 1 3 SER N N -13.183 1.538 -0.505 1.00 . A A . 2 SER N 1 1 10 3041 1 1 3 SER O O -9.923 2.313 0.729 1.00 . A A . 2 SER O 1 1 10 3042 1 1 3 SER OG O -11.997 4.945 0.355 1.00 . A A . 2 SER OG 1 1 10 3043 1 1 4 ALA C C -9.989 -0.539 2.703 1.00 . A A . 3 ALA C 1 1 10 3044 1 1 4 ALA CA C -10.718 0.816 3.010 1.00 . A A . 3 ALA CA 1 1 10 3045 1 1 4 ALA CB C -11.510 0.748 4.313 1.00 . A A . 3 ALA CB 1 1 10 3046 1 1 4 ALA H H -12.626 1.391 1.952 1.00 . A A . 3 ALA H 1 1 10 3047 1 1 4 ALA HA H -9.880 1.521 3.084 1.00 . A A . 3 ALA HA 1 1 10 3048 1 1 4 ALA HB1 H -11.941 1.730 4.572 1.00 . A A . 3 ALA HB1 1 1 10 3049 1 1 4 ALA HB2 H -10.860 0.430 5.146 1.00 . A A . 3 ALA HB2 1 1 10 3050 1 1 4 ALA HB3 H -12.335 0.016 4.225 1.00 . A A . 3 ALA HB3 1 1 10 3051 1 1 4 ALA N N -11.602 1.402 1.962 1.00 . A A . 3 ALA N 1 1 10 3052 1 1 4 ALA O O -9.447 -1.231 3.569 1.00 . A A . 3 ALA O 1 1 10 3053 1 1 5 LYS C C -8.894 -1.616 -0.736 1.00 . A A . 4 LYS C 1 1 10 3054 1 1 5 LYS CA C -9.385 -1.995 0.725 1.00 . A A . 4 LYS CA 1 1 10 3055 1 1 5 LYS CB C -10.322 -3.223 0.794 1.00 . A A . 4 LYS CB 1 1 10 3056 1 1 5 LYS CD C -8.549 -5.049 1.482 1.00 . A A . 4 LYS CD 1 1 10 3057 1 1 5 LYS CE C -8.948 -5.188 2.964 1.00 . A A . 4 LYS CE 1 1 10 3058 1 1 5 LYS CG C -9.696 -4.615 0.540 1.00 . A A . 4 LYS CG 1 1 10 3059 1 1 5 LYS H H -10.585 -0.164 0.930 1.00 . A A . 4 LYS H 1 1 10 3060 1 1 5 LYS HA H -8.450 -2.136 1.290 1.00 . A A . 4 LYS HA 1 1 10 3061 1 1 5 LYS HB2 H -10.822 -3.248 1.779 1.00 . A A . 4 LYS HB2 1 1 10 3062 1 1 5 LYS HB3 H -11.137 -3.051 0.070 1.00 . A A . 4 LYS HB3 1 1 10 3063 1 1 5 LYS HD2 H -8.160 -6.019 1.117 1.00 . A A . 4 LYS HD2 1 1 10 3064 1 1 5 LYS HD3 H -7.702 -4.344 1.380 1.00 . A A . 4 LYS HD3 1 1 10 3065 1 1 5 LYS HE2 H -9.300 -4.220 3.365 1.00 . A A . 4 LYS HE2 1 1 10 3066 1 1 5 LYS HE3 H -9.792 -5.895 3.072 1.00 . A A . 4 LYS HE3 1 1 10 3067 1 1 5 LYS HG2 H -10.500 -5.373 0.585 1.00 . A A . 4 LYS HG2 1 1 10 3068 1 1 5 LYS HG3 H -9.332 -4.666 -0.501 1.00 . A A . 4 LYS HG3 1 1 10 3069 1 1 5 LYS HZ1 H -8.099 -5.713 4.771 1.00 . A A . 4 LYS HZ1 1 1 10 3070 1 1 5 LYS HZ3 H -7.052 -4.978 3.752 1.00 . A A . 4 LYS HZ3 1 1 10 3071 1 1 5 LYS N N -10.011 -0.849 1.416 1.00 . A A . 4 LYS N 1 1 10 3072 1 1 5 LYS NZ N -7.819 -5.659 3.785 1.00 . A A . 4 LYS NZ 1 1 10 3073 1 1 5 LYS O O -8.720 -2.458 -1.620 1.00 . A A . 4 LYS O 1 1 10 3074 1 1 6 HIS C C -7.046 1.321 -1.607 1.00 . A A . 5 HIS C 1 1 10 3075 1 1 6 HIS CA C -8.171 0.383 -2.134 1.00 . A A . 5 HIS CA 1 1 10 3076 1 1 6 HIS CB C -9.231 1.127 -2.983 1.00 . A A . 5 HIS CB 1 1 10 3077 1 1 6 HIS CD2 C -9.756 -0.932 -4.510 1.00 . A A . 5 HIS CD2 1 1 10 3078 1 1 6 HIS CE1 C -11.712 -0.402 -5.078 1.00 . A A . 5 HIS CE1 1 1 10 3079 1 1 6 HIS CG C -10.136 0.251 -3.846 1.00 . A A . 5 HIS CG 1 1 10 3080 1 1 6 HIS H H -9.281 0.194 -0.261 1.00 . A A . 5 HIS H 1 1 10 3081 1 1 6 HIS HA H -7.631 -0.368 -2.717 1.00 . A A . 5 HIS HA 1 1 10 3082 1 1 6 HIS HB2 H -9.843 1.777 -2.328 1.00 . A A . 5 HIS HB2 1 1 10 3083 1 1 6 HIS HB3 H -8.717 1.828 -3.668 1.00 . A A . 5 HIS HB3 1 1 10 3084 1 1 6 HIS HD2 H -8.787 -1.405 -4.442 1.00 . A A . 5 HIS HD2 1 1 10 3085 1 1 6 HIS HE1 H -12.673 -0.439 -5.570 1.00 . A A . 5 HIS HE1 1 1 10 3086 1 1 6 HIS HE2 H -10.826 -2.191 -5.943 1.00 . A A . 5 HIS HE2 1 1 10 3087 1 1 6 HIS N N -8.684 -0.307 -0.931 1.00 . A A . 5 HIS N 1 1 10 3088 1 1 6 HIS ND1 N -11.424 0.628 -4.217 1.00 . A A . 5 HIS ND1 1 1 10 3089 1 1 6 HIS NE2 N -10.784 -1.379 -5.317 1.00 . A A . 5 HIS NE2 1 1 10 3090 1 1 6 HIS O O -5.958 1.323 -2.184 1.00 . A A . 5 HIS O 1 1 10 3091 1 1 7 MET C C -5.385 2.070 0.890 1.00 . A A . 6 MET C 1 1 10 3092 1 1 7 MET CA C -6.301 3.022 0.087 1.00 . A A . 6 MET CA 1 1 10 3093 1 1 7 MET CB C -6.922 4.164 0.937 1.00 . A A . 6 MET CB 1 1 10 3094 1 1 7 MET CE C -8.840 6.673 2.320 1.00 . A A . 6 MET CE 1 1 10 3095 1 1 7 MET CG C -8.082 4.922 0.265 1.00 . A A . 6 MET CG 1 1 10 3096 1 1 7 MET H H -8.169 1.979 -0.050 1.00 . A A . 6 MET H 1 1 10 3097 1 1 7 MET HA H -5.667 3.427 -0.705 1.00 . A A . 6 MET HA 1 1 10 3098 1 1 7 MET HB2 H -7.282 3.778 1.910 1.00 . A A . 6 MET HB2 1 1 10 3099 1 1 7 MET HB3 H -6.121 4.880 1.194 1.00 . A A . 6 MET HB3 1 1 10 3100 1 1 7 MET HE1 H -9.863 6.258 2.263 1.00 . A A . 6 MET HE1 1 1 10 3101 1 1 7 MET HE2 H -8.910 7.700 2.722 1.00 . A A . 6 MET HE2 1 1 10 3102 1 1 7 MET HE3 H -8.257 6.065 3.035 1.00 . A A . 6 MET HE3 1 1 10 3103 1 1 7 MET HG2 H -8.024 4.791 -0.830 1.00 . A A . 6 MET HG2 1 1 10 3104 1 1 7 MET HG3 H -9.054 4.481 0.551 1.00 . A A . 6 MET HG3 1 1 10 3105 1 1 7 MET N N -7.299 2.142 -0.553 1.00 . A A . 6 MET N 1 1 10 3106 1 1 7 MET O O -4.183 2.135 0.678 1.00 . A A . 6 MET O 1 1 10 3107 1 1 7 MET SD S -8.058 6.684 0.692 1.00 . A A . 6 MET SD 1 1 10 3108 1 1 8 PHE C C -4.409 -0.820 1.575 1.00 . A A . 7 PHE C 1 1 10 3109 1 1 8 PHE CA C -5.145 0.181 2.519 1.00 . A A . 7 PHE CA 1 1 10 3110 1 1 8 PHE CB C -6.101 -0.554 3.484 1.00 . A A . 7 PHE CB 1 1 10 3111 1 1 8 PHE CD1 C -7.315 1.088 4.992 1.00 . A A . 7 PHE CD1 1 1 10 3112 1 1 8 PHE CD2 C -5.440 -0.135 5.900 1.00 . A A . 7 PHE CD2 1 1 10 3113 1 1 8 PHE CE1 C -7.475 1.747 6.206 1.00 . A A . 7 PHE CE1 1 1 10 3114 1 1 8 PHE CE2 C -5.600 0.525 7.113 1.00 . A A . 7 PHE CE2 1 1 10 3115 1 1 8 PHE CG C -6.297 0.144 4.832 1.00 . A A . 7 PHE CG 1 1 10 3116 1 1 8 PHE CZ C -6.617 1.466 7.269 1.00 . A A . 7 PHE CZ 1 1 10 3117 1 1 8 PHE H H -6.941 1.100 1.706 1.00 . A A . 7 PHE H 1 1 10 3118 1 1 8 PHE HA H -4.377 0.726 3.073 1.00 . A A . 7 PHE HA 1 1 10 3119 1 1 8 PHE HB2 H -7.067 -0.648 2.981 1.00 . A A . 7 PHE HB2 1 1 10 3120 1 1 8 PHE HB3 H -5.802 -1.607 3.639 1.00 . A A . 7 PHE HB3 1 1 10 3121 1 1 8 PHE HD1 H -7.978 1.327 4.173 1.00 . A A . 7 PHE HD1 1 1 10 3122 1 1 8 PHE HD2 H -4.642 -0.856 5.790 1.00 . A A . 7 PHE HD2 1 1 10 3123 1 1 8 PHE HE1 H -8.262 2.478 6.299 1.00 . A A . 7 PHE HE1 1 1 10 3124 1 1 8 PHE HE2 H -4.921 0.303 7.920 1.00 . A A . 7 PHE HE2 1 1 10 3125 1 1 8 PHE HZ H -6.738 1.982 8.211 1.00 . A A . 7 PHE HZ 1 1 10 3126 1 1 8 PHE N N -5.926 1.186 1.759 1.00 . A A . 7 PHE N 1 1 10 3127 1 1 8 PHE O O -3.315 -1.267 1.922 1.00 . A A . 7 PHE O 1 1 10 3128 1 1 9 ASP C C -3.099 -1.360 -1.181 1.00 . A A . 8 ASP C 1 1 10 3129 1 1 9 ASP CA C -4.366 -2.068 -0.601 1.00 . A A . 8 ASP CA 1 1 10 3130 1 1 9 ASP CB C -5.387 -2.398 -1.714 1.00 . A A . 8 ASP CB 1 1 10 3131 1 1 9 ASP CG C -4.992 -3.555 -2.641 1.00 . A A . 8 ASP CG 1 1 10 3132 1 1 9 ASP H H -6.007 -0.906 0.402 1.00 . A A . 8 ASP H 1 1 10 3133 1 1 9 ASP HA H -4.119 -3.030 -0.111 1.00 . A A . 8 ASP HA 1 1 10 3134 1 1 9 ASP HB2 H -6.335 -2.662 -1.235 1.00 . A A . 8 ASP HB2 1 1 10 3135 1 1 9 ASP HB3 H -5.622 -1.500 -2.317 1.00 . A A . 8 ASP HB3 1 1 10 3136 1 1 9 ASP HD2 H -4.222 -2.167 -3.768 1.00 . A A . 8 ASP HD2 1 1 10 3137 1 1 9 ASP N N -5.009 -1.170 0.409 1.00 . A A . 8 ASP N 1 1 10 3138 1 1 9 ASP O O -2.026 -1.967 -1.231 1.00 . A A . 8 ASP O 1 1 10 3139 1 1 9 ASP OD1 O -5.247 -4.734 -2.399 1.00 . A A . 8 ASP OD1 1 1 10 3140 1 1 9 ASP OD2 O -4.325 -3.121 -3.759 1.00 . A A . 8 ASP OD2 1 1 10 3141 1 1 10 ARG C C -1.107 1.008 -1.013 1.00 . A A . 9 ARG C 1 1 10 3142 1 1 10 ARG CA C -2.157 0.771 -2.118 1.00 . A A . 9 ARG CA 1 1 10 3143 1 1 10 ARG CB C -2.664 2.106 -2.707 1.00 . A A . 9 ARG CB 1 1 10 3144 1 1 10 ARG CD C -4.026 3.291 -4.539 1.00 . A A . 9 ARG CD 1 1 10 3145 1 1 10 ARG CG C -3.379 1.974 -4.071 1.00 . A A . 9 ARG CG 1 1 10 3146 1 1 10 ARG CZ C -5.363 4.090 -6.503 1.00 . A A . 9 ARG CZ 1 1 10 3147 1 1 10 ARG H H -4.231 0.260 -1.514 1.00 . A A . 9 ARG H 1 1 10 3148 1 1 10 ARG HA H -1.650 0.185 -2.886 1.00 . A A . 9 ARG HA 1 1 10 3149 1 1 10 ARG HB2 H -3.326 2.606 -1.973 1.00 . A A . 9 ARG HB2 1 1 10 3150 1 1 10 ARG HB3 H -1.806 2.793 -2.833 1.00 . A A . 9 ARG HB3 1 1 10 3151 1 1 10 ARG HD2 H -4.759 3.638 -3.785 1.00 . A A . 9 ARG HD2 1 1 10 3152 1 1 10 ARG HD3 H -3.257 4.083 -4.617 1.00 . A A . 9 ARG HD3 1 1 10 3153 1 1 10 ARG HG2 H -2.651 1.619 -4.826 1.00 . A A . 9 ARG HG2 1 1 10 3154 1 1 10 ARG HG3 H -4.152 1.185 -4.012 1.00 . A A . 9 ARG HG3 1 1 10 3155 1 1 10 ARG HH11 H -5.055 5.545 -5.147 1.00 . A A . 9 ARG HH11 1 1 10 3156 1 1 10 ARG HH12 H -6.022 5.987 -6.642 1.00 . A A . 9 ARG HH12 1 1 10 3157 1 1 10 ARG HH21 H -5.803 2.825 -7.992 1.00 . A A . 9 ARG HH21 1 1 10 3158 1 1 10 ARG HH22 H -6.416 4.548 -8.143 1.00 . A A . 9 ARG HH22 1 1 10 3159 1 1 10 ARG N N -3.259 -0.076 -1.598 1.00 . A A . 9 ARG N 1 1 10 3160 1 1 10 ARG NE N -4.700 3.117 -5.848 1.00 . A A . 9 ARG NE 1 1 10 3161 1 1 10 ARG NH1 N -5.493 5.336 -6.050 1.00 . A A . 9 ARG NH1 1 1 10 3162 1 1 10 ARG NH2 N -5.917 3.791 -7.664 1.00 . A A . 9 ARG NH2 1 1 10 3163 1 1 10 ARG O O 0.043 0.610 -1.192 1.00 . A A . 9 ARG O 1 1 10 3164 1 1 11 ILE C C 0.238 0.573 1.710 1.00 . A A . 10 ILE C 1 1 10 3165 1 1 11 ILE CA C -0.619 1.827 1.324 1.00 . A A . 10 ILE CA 1 1 10 3166 1 1 11 ILE CB C -1.557 2.383 2.439 1.00 . A A . 10 ILE CB 1 1 10 3167 1 1 11 ILE CD1 C -3.226 4.326 2.863 1.00 . A A . 10 ILE CD1 1 1 10 3168 1 1 11 ILE CG1 C -1.988 3.840 2.116 1.00 . A A . 10 ILE CG1 1 1 10 3169 1 1 11 ILE CG2 C -1.060 2.250 3.889 1.00 . A A . 10 ILE CG2 1 1 10 3170 1 1 11 ILE H H -2.505 1.844 0.214 1.00 . A A . 10 ILE H 1 1 10 3171 1 1 11 ILE HA H 0.082 2.617 1.041 1.00 . A A . 10 ILE HA 1 1 10 3172 1 1 11 ILE HB H -2.446 1.749 2.414 1.00 . A A . 10 ILE HB 1 1 10 3173 1 1 11 ILE HD11 H -3.592 5.267 2.419 1.00 . A A . 10 ILE HD11 1 1 10 3174 1 1 11 ILE HD12 H -4.043 3.586 2.791 1.00 . A A . 10 ILE HD12 1 1 10 3175 1 1 11 ILE HD13 H -3.011 4.489 3.930 1.00 . A A . 10 ILE HD13 1 1 10 3176 1 1 11 ILE HG12 H -1.135 4.520 2.258 1.00 . A A . 10 ILE HG12 1 1 10 3177 1 1 11 ILE HG13 H -2.237 3.916 1.044 1.00 . A A . 10 ILE HG13 1 1 10 3178 1 1 11 ILE HG21 H -0.883 1.188 4.138 1.00 . A A . 10 ILE HG21 1 1 10 3179 1 1 11 ILE HG22 H -0.128 2.813 4.051 1.00 . A A . 10 ILE HG22 1 1 10 3180 1 1 11 ILE HG23 H -1.826 2.602 4.603 1.00 . A A . 10 ILE HG23 1 1 10 3181 1 1 11 ILE N N -1.503 1.589 0.136 1.00 . A A . 10 ILE N 1 1 10 3182 1 1 11 ILE O O 1.433 0.695 1.992 1.00 . A A . 10 ILE O 1 1 10 3183 1 1 12 GLY C C 1.393 -2.321 1.028 1.00 . A A . 11 GLY C 1 1 10 3184 1 1 12 GLY CA C 0.226 -1.912 1.965 1.00 . A A . 11 GLY CA 1 1 10 3185 1 1 12 GLY H H -1.419 -0.491 1.526 1.00 . A A . 11 GLY H 1 1 10 3186 1 1 12 GLY HA2 H 0.594 -1.882 3.002 1.00 . A A . 11 GLY HA2 1 1 10 3187 1 1 12 GLY HA3 H -0.548 -2.688 1.879 1.00 . A A . 11 GLY HA3 1 1 10 3188 1 1 12 GLY N N -0.414 -0.607 1.698 1.00 . A A . 11 GLY N 1 1 10 3189 1 1 12 GLY O O 2.177 -3.198 1.394 1.00 . A A . 11 GLY O 1 1 10 3190 1 1 13 LYS C C 2.808 -0.642 -1.989 1.00 . A A . 12 LYS C 1 1 10 3191 1 1 13 LYS CA C 2.489 -1.969 -1.204 1.00 . A A . 12 LYS CA 1 1 10 3192 1 1 13 LYS CB C 2.214 -3.235 -2.066 1.00 . A A . 12 LYS CB 1 1 10 3193 1 1 13 LYS CD C 3.191 -5.097 -3.568 1.00 . A A . 12 LYS CD 1 1 10 3194 1 1 13 LYS CE C 4.398 -5.625 -4.370 1.00 . A A . 12 LYS CE 1 1 10 3195 1 1 13 LYS CG C 3.448 -3.770 -2.824 1.00 . A A . 12 LYS CG 1 1 10 3196 1 1 13 LYS H H 0.571 -1.232 -0.401 1.00 . A A . 12 LYS H 1 1 10 3197 1 1 13 LYS HA H 3.420 -2.102 -0.628 1.00 . A A . 12 LYS HA 1 1 10 3198 1 1 13 LYS HB2 H 1.844 -4.050 -1.413 1.00 . A A . 12 LYS HB2 1 1 10 3199 1 1 13 LYS HB3 H 1.389 -3.035 -2.776 1.00 . A A . 12 LYS HB3 1 1 10 3200 1 1 13 LYS HD2 H 2.843 -5.872 -2.858 1.00 . A A . 12 LYS HD2 1 1 10 3201 1 1 13 LYS HD3 H 2.349 -4.951 -4.271 1.00 . A A . 12 LYS HD3 1 1 10 3202 1 1 13 LYS HE2 H 4.069 -6.459 -5.016 1.00 . A A . 12 LYS HE2 1 1 10 3203 1 1 13 LYS HE3 H 4.776 -4.846 -5.059 1.00 . A A . 12 LYS HE3 1 1 10 3204 1 1 13 LYS HG2 H 3.792 -3.014 -3.553 1.00 . A A . 12 LYS HG2 1 1 10 3205 1 1 13 LYS HG3 H 4.283 -3.906 -2.111 1.00 . A A . 12 LYS HG3 1 1 10 3206 1 1 13 LYS HZ1 H 6.258 -6.484 -4.100 1.00 . A A . 12 LYS HZ1 1 1 10 3207 1 1 13 LYS HZ3 H 5.186 -6.883 -2.933 1.00 . A A . 12 LYS HZ3 1 1 10 3208 1 1 13 LYS N N 1.423 -1.762 -0.196 1.00 . A A . 12 LYS N 1 1 10 3209 1 1 13 LYS NZ N 5.505 -6.103 -3.517 1.00 . A A . 12 LYS NZ 1 1 10 3210 1 1 13 LYS O O 2.937 -0.615 -3.216 1.00 . A A . 12 LYS O 1 1 10 3211 1 1 14 ASP C C 4.364 2.251 -0.678 1.00 . A A . 13 ASP C 1 1 10 3212 1 1 14 ASP CA C 3.328 1.815 -1.699 1.00 . A A . 13 ASP CA 1 1 10 3213 1 1 14 ASP CB C 2.144 2.766 -1.877 1.00 . A A . 13 ASP CB 1 1 10 3214 1 1 14 ASP CG C 2.414 3.993 -2.753 1.00 . A A . 13 ASP CG 1 1 10 3215 1 1 14 ASP H H 2.544 0.396 -0.289 1.00 . A A . 13 ASP H 1 1 10 3216 1 1 14 ASP HA H 3.901 1.725 -2.607 1.00 . A A . 13 ASP HA 1 1 10 3217 1 1 14 ASP HB2 H 1.305 2.196 -2.276 1.00 . A A . 13 ASP HB2 1 1 10 3218 1 1 14 ASP HB3 H 1.812 3.071 -0.884 1.00 . A A . 13 ASP HB3 1 1 10 3219 1 1 14 ASP HD2 H 3.094 5.810 -2.585 1.00 . A A . 13 ASP HD2 1 1 10 3220 1 1 14 ASP N N 2.969 0.458 -1.224 1.00 . A A . 13 ASP N 1 1 10 3221 1 1 14 ASP O O 5.496 2.512 -1.089 1.00 . A A . 13 ASP O 1 1 10 3222 1 1 14 ASP OD1 O 2.196 4.021 -3.963 1.00 . A A . 13 ASP OD1 1 1 10 3223 1 1 14 ASP OD2 O 2.925 5.043 -2.033 1.00 . A A . 13 ASP OD2 1 1 10 3224 1 1 15 VAL C C 5.319 1.514 2.540 1.00 . A A . 14 VAL C 1 1 10 3225 1 1 15 VAL CA C 4.975 2.773 1.659 1.00 . A A . 14 VAL CA 1 1 10 3226 1 1 15 VAL CB C 4.685 4.082 2.404 1.00 . A A . 14 VAL CB 1 1 10 3227 1 1 15 VAL CG1 C 4.639 5.248 1.405 1.00 . A A . 14 VAL CG1 1 1 10 3228 1 1 15 VAL CG2 C 3.415 4.013 3.270 1.00 . A A . 14 VAL CG2 1 1 10 3229 1 1 15 VAL H H 3.068 2.036 0.828 1.00 . A A . 14 VAL H 1 1 10 3230 1 1 15 VAL HA H 5.936 2.923 1.141 1.00 . A A . 14 VAL HA 1 1 10 3231 1 1 15 VAL HB H 5.572 4.240 3.041 1.00 . A A . 14 VAL HB 1 1 10 3232 1 1 15 VAL HG11 H 5.547 5.243 0.771 1.00 . A A . 14 VAL HG11 1 1 10 3233 1 1 15 VAL HG12 H 3.774 5.144 0.721 1.00 . A A . 14 VAL HG12 1 1 10 3234 1 1 15 VAL HG13 H 4.571 6.215 1.919 1.00 . A A . 14 VAL HG13 1 1 10 3235 1 1 15 VAL HG21 H 3.483 3.193 4.008 1.00 . A A . 14 VAL HG21 1 1 10 3236 1 1 15 VAL HG22 H 3.254 4.951 3.823 1.00 . A A . 14 VAL HG22 1 1 10 3237 1 1 15 VAL HG23 H 2.521 3.812 2.650 1.00 . A A . 14 VAL HG23 1 1 10 3238 1 1 15 VAL N N 3.976 2.436 0.603 1.00 . A A . 14 VAL N 1 1 10 3239 1 1 15 VAL O O 5.430 1.481 3.767 1.00 . A A . 14 VAL O 1 1 10 3240 1 1 16 TYR C C 6.890 -1.158 0.761 1.00 . A A . 15 TYR C 1 1 10 3241 1 1 16 TYR CA C 5.960 -0.867 1.974 1.00 . A A . 15 TYR CA 1 1 10 3242 1 1 16 TYR CB C 4.817 -1.870 2.210 1.00 . A A . 15 TYR CB 1 1 10 3243 1 1 16 TYR CD1 C 5.873 -3.711 3.615 1.00 . A A . 15 TYR CD1 1 1 10 3244 1 1 16 TYR CD2 C 5.337 -4.197 1.310 1.00 . A A . 15 TYR CD2 1 1 10 3245 1 1 16 TYR CE1 C 6.454 -4.969 3.745 1.00 . A A . 15 TYR CE1 1 1 10 3246 1 1 16 TYR CE2 C 5.922 -5.454 1.441 1.00 . A A . 15 TYR CE2 1 1 10 3247 1 1 16 TYR CG C 5.311 -3.315 2.397 1.00 . A A . 15 TYR CG 1 1 10 3248 1 1 16 TYR CZ C 6.479 -5.842 2.658 1.00 . A A . 15 TYR CZ 1 1 10 3249 1 1 16 TYR H H 5.127 0.813 0.802 1.00 . A A . 15 TYR H 1 1 10 3250 1 1 16 TYR HA H 6.595 -0.834 2.856 1.00 . A A . 15 TYR HA 1 1 10 3251 1 1 16 TYR HB2 H 4.219 -1.559 3.088 1.00 . A A . 15 TYR HB2 1 1 10 3252 1 1 16 TYR HB3 H 4.127 -1.794 1.359 1.00 . A A . 15 TYR HB3 1 1 10 3253 1 1 16 TYR HD1 H 5.905 -3.024 4.449 1.00 . A A . 15 TYR HD1 1 1 10 3254 1 1 16 TYR HD2 H 4.954 -3.894 0.345 1.00 . A A . 15 TYR HD2 1 1 10 3255 1 1 16 TYR HE1 H 6.907 -5.246 4.686 1.00 . A A . 15 TYR HE1 1 1 10 3256 1 1 16 TYR HE2 H 5.963 -6.110 0.585 1.00 . A A . 15 TYR HE2 1 1 10 3257 1 1 16 TYR HH H 7.413 -7.170 3.671 1.00 . A A . 15 TYR HH 1 1 10 3258 1 1 16 TYR N N 5.547 0.510 1.712 1.00 . A A . 15 TYR N 1 1 10 3259 1 1 16 TYR O O 7.970 -1.707 0.984 1.00 . A A . 15 TYR O 1 1 10 3260 1 1 16 TYR OH O 7.077 -7.071 2.778 1.00 . A A . 15 TYR OH 1 1 10 3261 1 1 17 ASP C C 8.431 0.051 -1.721 1.00 . A A . 16 ASP C 1 1 10 3262 1 1 17 ASP CA C 7.359 -1.073 -1.675 1.00 . A A . 16 ASP CA 1 1 10 3263 1 1 17 ASP CB C 6.559 -1.309 -2.962 1.00 . A A . 16 ASP CB 1 1 10 3264 1 1 17 ASP CG C 7.361 -1.888 -4.133 1.00 . A A . 16 ASP CG 1 1 10 3265 1 1 17 ASP H H 5.634 -0.285 -0.533 1.00 . A A . 16 ASP H 1 1 10 3266 1 1 17 ASP HA H 7.948 -1.950 -1.450 1.00 . A A . 16 ASP HA 1 1 10 3267 1 1 17 ASP HB2 H 5.697 -1.972 -2.768 1.00 . A A . 16 ASP HB2 1 1 10 3268 1 1 17 ASP HB3 H 6.132 -0.347 -3.248 1.00 . A A . 16 ASP HB3 1 1 10 3269 1 1 17 ASP HD2 H 6.944 -3.617 -3.343 1.00 . A A . 16 ASP HD2 1 1 10 3270 1 1 17 ASP N N 6.475 -0.881 -0.506 1.00 . A A . 16 ASP N 1 1 10 3271 1 1 17 ASP O O 9.567 -0.262 -2.083 1.00 . A A . 16 ASP O 1 1 10 3272 1 1 17 ASP OD1 O 7.891 -1.194 -4.999 1.00 . A A . 16 ASP OD1 1 1 10 3273 1 1 17 ASP OD2 O 7.418 -3.258 -4.096 1.00 . A A . 16 ASP OD2 1 1 10 3274 1 1 18 LYS C C 10.144 2.166 -0.153 1.00 . A A . 17 LYS C 1 1 10 3275 1 1 18 LYS CA C 9.122 2.408 -1.329 1.00 . A A . 17 LYS CA 1 1 10 3276 1 1 18 LYS CB C 8.397 3.782 -1.274 1.00 . A A . 17 LYS CB 1 1 10 3277 1 1 18 LYS CD C 9.768 5.656 -0.090 1.00 . A A . 17 LYS CD 1 1 10 3278 1 1 18 LYS CE C 10.647 6.914 -0.240 1.00 . A A . 17 LYS CE 1 1 10 3279 1 1 18 LYS CG C 9.277 5.046 -1.424 1.00 . A A . 17 LYS CG 1 1 10 3280 1 1 18 LYS H H 7.155 1.499 -1.030 1.00 . A A . 17 LYS H 1 1 10 3281 1 1 18 LYS HA H 9.673 2.351 -2.277 1.00 . A A . 17 LYS HA 1 1 10 3282 1 1 18 LYS HB2 H 7.666 3.813 -2.105 1.00 . A A . 17 LYS HB2 1 1 10 3283 1 1 18 LYS HB3 H 7.776 3.859 -0.360 1.00 . A A . 17 LYS HB3 1 1 10 3284 1 1 18 LYS HD2 H 8.883 5.927 0.516 1.00 . A A . 17 LYS HD2 1 1 10 3285 1 1 18 LYS HD3 H 10.303 4.903 0.516 1.00 . A A . 17 LYS HD3 1 1 10 3286 1 1 18 LYS HE2 H 10.146 7.664 -0.879 1.00 . A A . 17 LYS HE2 1 1 10 3287 1 1 18 LYS HE3 H 10.764 7.395 0.748 1.00 . A A . 17 LYS HE3 1 1 10 3288 1 1 18 LYS HG2 H 10.131 4.831 -2.094 1.00 . A A . 17 LYS HG2 1 1 10 3289 1 1 18 LYS HG3 H 8.688 5.818 -1.954 1.00 . A A . 17 LYS HG3 1 1 10 3290 1 1 18 LYS HZ1 H 12.548 7.484 -0.813 1.00 . A A . 17 LYS HZ1 1 1 10 3291 1 1 18 LYS HZ3 H 12.494 5.992 -0.146 1.00 . A A . 17 LYS HZ3 1 1 10 3292 1 1 18 LYS N N 8.113 1.324 -1.372 1.00 . A A . 17 LYS N 1 1 10 3293 1 1 18 LYS NZ N 11.990 6.623 -0.779 1.00 . A A . 17 LYS NZ 1 1 10 3294 1 1 18 LYS O O 11.289 2.613 -0.270 1.00 . A A . 17 LYS O 1 1 10 3295 1 1 19 VAL C C 11.567 -0.071 1.765 1.00 . A A . 18 VAL C 1 1 10 3296 1 1 19 VAL CA C 10.638 1.126 2.083 1.00 . A A . 18 VAL CA 1 1 10 3297 1 1 19 VAL CB C 9.888 1.023 3.450 1.00 . A A . 18 VAL CB 1 1 10 3298 1 1 19 VAL CG1 C 8.829 2.120 3.706 1.00 . A A . 18 VAL CG1 1 1 10 3299 1 1 19 VAL CG2 C 9.307 -0.339 3.873 1.00 . A A . 18 VAL CG2 1 1 10 3300 1 1 19 VAL H H 8.895 0.907 0.853 1.00 . A A . 18 VAL H 1 1 10 3301 1 1 19 VAL HA H 11.312 1.973 2.159 1.00 . A A . 18 VAL HA 1 1 10 3302 1 1 19 VAL HB H 10.696 1.183 4.141 1.00 . A A . 18 VAL HB 1 1 10 3303 1 1 19 VAL HG11 H 9.243 3.131 3.555 1.00 . A A . 18 VAL HG11 1 1 10 3304 1 1 19 VAL HG12 H 8.422 2.077 4.734 1.00 . A A . 18 VAL HG12 1 1 10 3305 1 1 19 VAL HG13 H 7.973 2.013 3.017 1.00 . A A . 18 VAL HG13 1 1 10 3306 1 1 19 VAL HG21 H 8.652 -0.745 3.097 1.00 . A A . 18 VAL HG21 1 1 10 3307 1 1 19 VAL HG22 H 8.740 -0.287 4.819 1.00 . A A . 18 VAL HG22 1 1 10 3308 1 1 19 VAL HG23 H 10.113 -1.079 4.029 1.00 . A A . 18 VAL HG23 1 1 10 3309 1 1 19 VAL N N 9.754 1.455 0.944 1.00 . A A . 18 VAL N 1 1 10 3310 1 1 19 VAL O O 12.788 0.029 1.921 1.00 . A A . 18 VAL O 1 1 10 3311 1 1 20 LYS C C 12.672 -2.197 -0.311 1.00 . A A . 19 LYS C 1 1 10 3312 1 1 20 LYS CA C 11.692 -2.416 0.908 1.00 . A A . 19 LYS CA 1 1 10 3313 1 1 20 LYS CB C 10.621 -3.512 0.647 1.00 . A A . 19 LYS CB 1 1 10 3314 1 1 20 LYS CD C 9.999 -5.987 0.413 1.00 . A A . 19 LYS CD 1 1 10 3315 1 1 20 LYS CE C 10.503 -7.438 0.315 1.00 . A A . 19 LYS CE 1 1 10 3316 1 1 20 LYS CG C 11.144 -4.960 0.530 1.00 . A A . 19 LYS CG 1 1 10 3317 1 1 20 LYS H H 9.940 -1.119 1.385 1.00 . A A . 19 LYS H 1 1 10 3318 1 1 20 LYS HA H 12.289 -2.730 1.781 1.00 . A A . 19 LYS HA 1 1 10 3319 1 1 20 LYS HB2 H 9.885 -3.504 1.476 1.00 . A A . 19 LYS HB2 1 1 10 3320 1 1 20 LYS HB3 H 10.038 -3.257 -0.260 1.00 . A A . 19 LYS HB3 1 1 10 3321 1 1 20 LYS HD2 H 9.328 -5.888 1.287 1.00 . A A . 19 LYS HD2 1 1 10 3322 1 1 20 LYS HD3 H 9.379 -5.747 -0.473 1.00 . A A . 19 LYS HD3 1 1 10 3323 1 1 20 LYS HE2 H 11.158 -7.562 -0.567 1.00 . A A . 19 LYS HE2 1 1 10 3324 1 1 20 LYS HE3 H 11.118 -7.694 1.198 1.00 . A A . 19 LYS HE3 1 1 10 3325 1 1 20 LYS HG2 H 11.812 -5.048 -0.346 1.00 . A A . 19 LYS HG2 1 1 10 3326 1 1 20 LYS HG3 H 11.766 -5.199 1.413 1.00 . A A . 19 LYS HG3 1 1 10 3327 1 1 20 LYS HZ1 H 9.739 -9.346 0.122 1.00 . A A . 19 LYS HZ1 1 1 10 3328 1 1 20 LYS HZ3 H 8.839 -8.209 -0.633 1.00 . A A . 19 LYS HZ3 1 1 10 3329 1 1 20 LYS N N 10.962 -1.188 1.321 1.00 . A A . 19 LYS N 1 1 10 3330 1 1 20 LYS NZ N 9.381 -8.390 0.219 1.00 . A A . 19 LYS NZ 1 1 10 3331 1 1 20 LYS O O 13.547 -3.034 -0.548 1.00 . A A . 19 LYS O 1 1 10 3332 1 1 21 GLU C C 14.608 0.120 -1.732 1.00 . A A . 20 GLU C 1 1 10 3333 1 1 21 GLU CA C 13.374 -0.687 -2.195 1.00 . A A . 20 GLU CA 1 1 10 3334 1 1 21 GLU CB C 12.480 -0.017 -3.258 1.00 . A A . 20 GLU CB 1 1 10 3335 1 1 21 GLU CD C 13.666 -0.771 -5.430 1.00 . A A . 20 GLU CD 1 1 10 3336 1 1 21 GLU CG C 13.146 0.397 -4.584 1.00 . A A . 20 GLU CG 1 1 10 3337 1 1 21 GLU H H 11.922 -0.362 -0.628 1.00 . A A . 20 GLU H 1 1 10 3338 1 1 21 GLU HA H 13.737 -1.586 -2.638 1.00 . A A . 20 GLU HA 1 1 10 3339 1 1 21 GLU HB2 H 11.622 -0.677 -3.475 1.00 . A A . 20 GLU HB2 1 1 10 3340 1 1 21 GLU HB3 H 12.039 0.875 -2.798 1.00 . A A . 20 GLU HB3 1 1 10 3341 1 1 21 GLU HE2 H 11.841 -0.879 -6.099 1.00 . A A . 20 GLU HE2 1 1 10 3342 1 1 21 GLU HG2 H 12.416 0.979 -5.174 1.00 . A A . 20 GLU HG2 1 1 10 3343 1 1 21 GLU HG3 H 13.975 1.098 -4.374 1.00 . A A . 20 GLU HG3 1 1 10 3344 1 1 21 GLU N N 12.523 -1.075 -1.057 1.00 . A A . 20 GLU N 1 1 10 3345 1 1 21 GLU O O 15.750 -0.316 -1.879 1.00 . A A . 20 GLU O 1 1 10 3346 1 1 21 GLU OE1 O 14.832 -1.163 -5.398 1.00 . A A . 20 GLU OE1 1 1 10 3347 1 1 21 GLU OE2 O 12.685 -1.322 -6.214 1.00 . A A . 20 GLU OE2 1 1 10 3348 1 1 22 NH2 HN1 H 14.410 0.975 -0.098 1.00 . A A . 21 NH2 HN1 1 1 10 3349 1 1 22 NH2 HN2 H 13.583 1.740 -1.460 1.00 . A A . 21 NH2 HN2 1 1 10 3350 1 1 22 NH2 N N 14.402 1.249 -1.083 1.00 . A A . 21 NH2 N 1 1 11 3351 1 1 2 GLU C C -13.172 -2.818 -1.746 1.00 . A A . 1 ACE C 1 1 11 3352 1 1 2 GLU CA C -14.146 -0.635 -1.052 1.00 . A A . 1 ACE CA 1 1 11 3353 1 1 2 GLU CB C -15.413 -0.334 -0.177 1.00 . A A . 1 ACE CB 1 1 11 3354 1 1 2 GLU CD C -17.006 -2.398 -0.297 1.00 . A A . 1 ACE CD 1 1 11 3355 1 1 2 GLU CG C -16.771 -0.918 -0.623 1.00 . A A . 1 ACE CG 1 1 11 3356 1 1 2 GLU H H -14.526 -2.639 -0.331 1.00 . A A . 1 ACE H 1 1 11 3357 1 1 2 GLU HA H -14.469 -0.465 -2.096 1.00 . A A . 1 ACE HA 1 1 11 3358 1 1 2 GLU HB2 H -15.207 -0.554 0.889 1.00 . A A . 1 ACE HB2 1 1 11 3359 1 1 2 GLU HB3 H -15.585 0.753 -0.185 1.00 . A A . 1 ACE HB3 1 1 11 3360 1 1 2 GLU HE2 H -16.715 -2.690 -2.200 1.00 . A A . 1 ACE HE2 1 1 11 3361 1 1 2 GLU HG2 H -17.568 -0.334 -0.127 1.00 . A A . 1 ACE HG2 1 1 11 3362 1 1 2 GLU HG3 H -16.911 -0.724 -1.703 1.00 . A A . 1 ACE HG3 1 1 11 3363 1 1 2 GLU N N -13.845 -2.078 -0.852 1.00 . A A . 1 ACE N 1 1 11 3364 1 1 2 GLU O O -12.549 -2.353 -2.700 1.00 . A A . 1 ACE O 1 1 11 3365 1 1 2 GLU OE1 O -17.250 -2.811 0.836 1.00 . A A . 1 ACE OE1 1 1 11 3366 1 1 2 GLU OE2 O -16.912 -3.197 -1.408 1.00 . A A . 1 ACE OE2 1 1 11 3367 1 1 3 SER C C -11.083 2.124 0.967 1.00 . A A . 2 SER C 1 1 11 3368 1 1 3 SER CA C -12.146 2.584 -0.049 1.00 . A A . 2 SER CA 1 1 11 3369 1 1 3 SER CB C -12.857 3.858 0.422 1.00 . A A . 2 SER CB 1 1 11 3370 1 1 3 SER H H -14.178 1.769 -0.375 1.00 . A A . 2 SER H 1 1 11 3371 1 1 3 SER HA H -11.647 2.865 -0.977 1.00 . A A . 2 SER HA 1 1 11 3372 1 1 3 SER HB2 H -13.757 4.060 -0.176 1.00 . A A . 2 SER HB2 1 1 11 3373 1 1 3 SER HB3 H -13.217 3.700 1.439 1.00 . A A . 2 SER HB3 1 1 11 3374 1 1 3 SER HG H -12.503 5.726 0.711 1.00 . A A . 2 SER HG 1 1 11 3375 1 1 3 SER N N -13.177 1.558 -0.384 1.00 . A A . 2 SER N 1 1 11 3376 1 1 3 SER O O -9.893 2.364 0.764 1.00 . A A . 2 SER O 1 1 11 3377 1 1 3 SER OG O -11.988 4.984 0.386 1.00 . A A . 2 SER OG 1 1 11 3378 1 1 4 ALA C C -9.911 -0.441 2.797 1.00 . A A . 3 ALA C 1 1 11 3379 1 1 4 ALA CA C -10.639 0.915 3.095 1.00 . A A . 3 ALA CA 1 1 11 3380 1 1 4 ALA CB C -11.404 0.866 4.415 1.00 . A A . 3 ALA CB 1 1 11 3381 1 1 4 ALA H H -12.569 1.465 2.065 1.00 . A A . 3 ALA H 1 1 11 3382 1 1 4 ALA HA H -9.799 1.618 3.139 1.00 . A A . 3 ALA HA 1 1 11 3383 1 1 4 ALA HB1 H -11.833 1.852 4.668 1.00 . A A . 3 ALA HB1 1 1 11 3384 1 1 4 ALA HB2 H -10.738 0.564 5.242 1.00 . A A . 3 ALA HB2 1 1 11 3385 1 1 4 ALA HB3 H -12.230 0.132 4.358 1.00 . A A . 3 ALA HB3 1 1 11 3386 1 1 4 ALA N N -11.545 1.479 2.053 1.00 . A A . 3 ALA N 1 1 11 3387 1 1 4 ALA O O -9.321 -1.093 3.662 1.00 . A A . 3 ALA O 1 1 11 3388 1 1 5 LYS C C -8.915 -1.610 -0.626 1.00 . A A . 4 LYS C 1 1 11 3389 1 1 5 LYS CA C -9.395 -1.967 0.846 1.00 . A A . 4 LYS CA 1 1 11 3390 1 1 5 LYS CB C -10.323 -3.204 0.879 1.00 . A A . 4 LYS CB 1 1 11 3391 1 1 5 LYS CD C -11.390 -5.144 2.191 1.00 . A A . 4 LYS CD 1 1 11 3392 1 1 5 LYS CE C -11.522 -5.845 3.556 1.00 . A A . 4 LYS CE 1 1 11 3393 1 1 5 LYS CG C -10.491 -3.894 2.251 1.00 . A A . 4 LYS CG 1 1 11 3394 1 1 5 LYS H H -10.576 -0.124 1.038 1.00 . A A . 4 LYS H 1 1 11 3395 1 1 5 LYS HA H -8.446 -2.118 1.383 1.00 . A A . 4 LYS HA 1 1 11 3396 1 1 5 LYS HB2 H -11.309 -2.903 0.479 1.00 . A A . 4 LYS HB2 1 1 11 3397 1 1 5 LYS HB3 H -9.933 -3.953 0.166 1.00 . A A . 4 LYS HB3 1 1 11 3398 1 1 5 LYS HD2 H -12.393 -4.854 1.823 1.00 . A A . 4 LYS HD2 1 1 11 3399 1 1 5 LYS HD3 H -10.985 -5.854 1.444 1.00 . A A . 4 LYS HD3 1 1 11 3400 1 1 5 LYS HE2 H -10.528 -6.150 3.931 1.00 . A A . 4 LYS HE2 1 1 11 3401 1 1 5 LYS HE3 H -11.938 -5.150 4.309 1.00 . A A . 4 LYS HE3 1 1 11 3402 1 1 5 LYS HG2 H -9.494 -4.170 2.644 1.00 . A A . 4 LYS HG2 1 1 11 3403 1 1 5 LYS HG3 H -10.917 -3.180 2.979 1.00 . A A . 4 LYS HG3 1 1 11 3404 1 1 5 LYS HZ1 H -11.980 -7.721 2.827 1.00 . A A . 4 LYS HZ1 1 1 11 3405 1 1 5 LYS HZ3 H -12.434 -7.502 4.382 1.00 . A A . 4 LYS HZ3 1 1 11 3406 1 1 5 LYS N N -9.999 -0.804 1.526 1.00 . A A . 4 LYS N 1 1 11 3407 1 1 5 LYS NZ N -12.388 -7.034 3.470 1.00 . A A . 4 LYS NZ 1 1 11 3408 1 1 5 LYS O O -8.748 -2.470 -1.495 1.00 . A A . 4 LYS O 1 1 11 3409 1 1 6 HIS C C -7.051 1.288 -1.594 1.00 . A A . 5 HIS C 1 1 11 3410 1 1 6 HIS CA C -8.195 0.351 -2.079 1.00 . A A . 5 HIS CA 1 1 11 3411 1 1 6 HIS CB C -9.258 1.092 -2.927 1.00 . A A . 5 HIS CB 1 1 11 3412 1 1 6 HIS CD2 C -9.796 -0.973 -4.439 1.00 . A A . 5 HIS CD2 1 1 11 3413 1 1 6 HIS CE1 C -11.750 -0.437 -5.008 1.00 . A A . 5 HIS CE1 1 1 11 3414 1 1 6 HIS CG C -10.171 0.212 -3.778 1.00 . A A . 5 HIS CG 1 1 11 3415 1 1 6 HIS H H -9.276 0.218 -0.188 1.00 . A A . 5 HIS H 1 1 11 3416 1 1 6 HIS HA H -7.673 -0.417 -2.657 1.00 . A A . 5 HIS HA 1 1 11 3417 1 1 6 HIS HB2 H -9.864 1.750 -2.274 1.00 . A A . 5 HIS HB2 1 1 11 3418 1 1 6 HIS HB3 H -8.747 1.785 -3.623 1.00 . A A . 5 HIS HB3 1 1 11 3419 1 1 6 HIS HD2 H -8.827 -1.446 -4.374 1.00 . A A . 5 HIS HD2 1 1 11 3420 1 1 6 HIS HE1 H -12.710 -0.471 -5.501 1.00 . A A . 5 HIS HE1 1 1 11 3421 1 1 6 HIS HE2 H -10.869 -2.230 -5.872 1.00 . A A . 5 HIS HE2 1 1 11 3422 1 1 6 HIS N N -8.700 -0.306 -0.854 1.00 . A A . 5 HIS N 1 1 11 3423 1 1 6 HIS ND1 N -11.458 0.593 -4.148 1.00 . A A . 5 HIS ND1 1 1 11 3424 1 1 6 HIS NE2 N -10.825 -1.418 -5.245 1.00 . A A . 5 HIS NE2 1 1 11 3425 1 1 6 HIS O O -5.973 1.268 -2.194 1.00 . A A . 5 HIS O 1 1 11 3426 1 1 7 MET C C -5.330 2.075 0.847 1.00 . A A . 6 MET C 1 1 11 3427 1 1 7 MET CA C -6.256 3.018 0.046 1.00 . A A . 6 MET CA 1 1 11 3428 1 1 7 MET CB C -6.844 4.182 0.888 1.00 . A A . 6 MET CB 1 1 11 3429 1 1 7 MET CE C -9.222 7.381 -0.396 1.00 . A A . 6 MET CE 1 1 11 3430 1 1 7 MET CG C -7.991 4.959 0.219 1.00 . A A . 6 MET CG 1 1 11 3431 1 1 7 MET H H -8.135 1.984 -0.028 1.00 . A A . 6 MET H 1 1 11 3432 1 1 7 MET HA H -5.637 3.402 -0.768 1.00 . A A . 6 MET HA 1 1 11 3433 1 1 7 MET HB2 H -7.202 3.815 1.869 1.00 . A A . 6 MET HB2 1 1 11 3434 1 1 7 MET HB3 H -6.024 4.882 1.129 1.00 . A A . 6 MET HB3 1 1 11 3435 1 1 7 MET HE1 H -9.263 8.482 -0.316 1.00 . A A . 6 MET HE1 1 1 11 3436 1 1 7 MET HE2 H -9.111 7.119 -1.464 1.00 . A A . 6 MET HE2 1 1 11 3437 1 1 7 MET HE3 H -10.186 6.977 -0.037 1.00 . A A . 6 MET HE3 1 1 11 3438 1 1 7 MET HG2 H -7.991 4.772 -0.870 1.00 . A A . 6 MET HG2 1 1 11 3439 1 1 7 MET HG3 H -8.968 4.588 0.581 1.00 . A A . 6 MET HG3 1 1 11 3440 1 1 7 MET N N -7.278 2.135 -0.555 1.00 . A A . 6 MET N 1 1 11 3441 1 1 7 MET O O -4.132 2.130 0.612 1.00 . A A . 6 MET O 1 1 11 3442 1 1 7 MET SD S -7.849 6.728 0.575 1.00 . A A . 6 MET SD 1 1 11 3443 1 1 8 PHE C C -4.360 -0.811 1.562 1.00 . A A . 7 PHE C 1 1 11 3444 1 1 8 PHE CA C -5.071 0.212 2.503 1.00 . A A . 7 PHE CA 1 1 11 3445 1 1 8 PHE CB C -6.015 -0.498 3.498 1.00 . A A . 7 PHE CB 1 1 11 3446 1 1 8 PHE CD1 C -5.290 -0.062 5.891 1.00 . A A . 7 PHE CD1 1 1 11 3447 1 1 8 PHE CD2 C -7.167 1.181 5.015 1.00 . A A . 7 PHE CD2 1 1 11 3448 1 1 8 PHE CE1 C -5.410 0.616 7.100 1.00 . A A . 7 PHE CE1 1 1 11 3449 1 1 8 PHE CE2 C -7.287 1.856 6.224 1.00 . A A . 7 PHE CE2 1 1 11 3450 1 1 8 PHE CG C -6.168 0.218 4.841 1.00 . A A . 7 PHE CG 1 1 11 3451 1 1 8 PHE CZ C -6.408 1.574 7.269 1.00 . A A . 7 PHE CZ 1 1 11 3452 1 1 8 PHE H H -6.875 1.114 1.693 1.00 . A A . 7 PHE H 1 1 11 3453 1 1 8 PHE HA H -4.289 0.763 3.031 1.00 . A A . 7 PHE HA 1 1 11 3454 1 1 8 PHE HB2 H -6.994 -0.578 3.019 1.00 . A A . 7 PHE HB2 1 1 11 3455 1 1 8 PHE HB3 H -5.732 -1.556 3.657 1.00 . A A . 7 PHE HB3 1 1 11 3456 1 1 8 PHE HD1 H -4.505 -0.796 5.772 1.00 . A A . 7 PHE HD1 1 1 11 3457 1 1 8 PHE HD2 H -7.846 1.421 4.209 1.00 . A A . 7 PHE HD2 1 1 11 3458 1 1 8 PHE HE1 H -4.715 0.392 7.893 1.00 . A A . 7 PHE HE1 1 1 11 3459 1 1 8 PHE HE2 H -8.060 2.601 6.327 1.00 . A A . 7 PHE HE2 1 1 11 3460 1 1 8 PHE HZ H -6.498 2.103 8.207 1.00 . A A . 7 PHE HZ 1 1 11 3461 1 1 8 PHE N N -5.860 1.208 1.740 1.00 . A A . 7 PHE N 1 1 11 3462 1 1 8 PHE O O -3.263 -1.261 1.896 1.00 . A A . 7 PHE O 1 1 11 3463 1 1 9 ASP C C -3.114 -1.409 -1.214 1.00 . A A . 8 ASP C 1 1 11 3464 1 1 9 ASP CA C -4.372 -2.095 -0.592 1.00 . A A . 8 ASP CA 1 1 11 3465 1 1 9 ASP CB C -5.419 -2.436 -1.678 1.00 . A A . 8 ASP CB 1 1 11 3466 1 1 9 ASP CG C -5.044 -3.597 -2.607 1.00 . A A . 8 ASP CG 1 1 11 3467 1 1 9 ASP H H -5.982 -0.906 0.426 1.00 . A A . 8 ASP H 1 1 11 3468 1 1 9 ASP HA H -4.120 -3.050 -0.092 1.00 . A A . 8 ASP HA 1 1 11 3469 1 1 9 ASP HB2 H -6.362 -2.680 -1.179 1.00 . A A . 8 ASP HB2 1 1 11 3470 1 1 9 ASP HB3 H -5.655 -1.546 -2.291 1.00 . A A . 8 ASP HB3 1 1 11 3471 1 1 9 ASP HD2 H -5.133 -5.541 -2.656 1.00 . A A . 8 ASP HD2 1 1 11 3472 1 1 9 ASP N N -4.985 -1.176 0.415 1.00 . A A . 8 ASP N 1 1 11 3473 1 1 9 ASP O O -2.048 -2.027 -1.278 1.00 . A A . 8 ASP O 1 1 11 3474 1 1 9 ASP OD1 O -4.509 -3.440 -3.704 1.00 . A A . 8 ASP OD1 1 1 11 3475 1 1 9 ASP OD2 O -5.370 -4.817 -2.072 1.00 . A A . 8 ASP OD2 1 1 11 3476 1 1 10 ARG C C -1.098 0.941 -1.121 1.00 . A A . 9 ARG C 1 1 11 3477 1 1 10 ARG CA C -2.167 0.692 -2.207 1.00 . A A . 9 ARG CA 1 1 11 3478 1 1 10 ARG CB C -2.657 2.015 -2.848 1.00 . A A . 9 ARG CB 1 1 11 3479 1 1 10 ARG CD C -2.813 1.339 -5.356 1.00 . A A . 9 ARG CD 1 1 11 3480 1 1 10 ARG CG C -3.540 1.892 -4.112 1.00 . A A . 9 ARG CG 1 1 11 3481 1 1 10 ARG CZ C -3.362 0.884 -7.758 1.00 . A A . 9 ARG CZ 1 1 11 3482 1 1 10 ARG H H -4.238 0.215 -1.552 1.00 . A A . 9 ARG H 1 1 11 3483 1 1 10 ARG HA H -1.678 0.073 -2.959 1.00 . A A . 9 ARG HA 1 1 11 3484 1 1 10 ARG HB2 H -3.210 2.602 -2.090 1.00 . A A . 9 ARG HB2 1 1 11 3485 1 1 10 ARG HB3 H -1.783 2.645 -3.101 1.00 . A A . 9 ARG HB3 1 1 11 3486 1 1 10 ARG HD2 H -1.926 1.963 -5.580 1.00 . A A . 9 ARG HD2 1 1 11 3487 1 1 10 ARG HD3 H -2.437 0.319 -5.155 1.00 . A A . 9 ARG HD3 1 1 11 3488 1 1 10 ARG HG2 H -4.428 1.272 -3.886 1.00 . A A . 9 ARG HG2 1 1 11 3489 1 1 10 ARG HG3 H -3.941 2.897 -4.346 1.00 . A A . 9 ARG HG3 1 1 11 3490 1 1 10 ARG HH11 H -1.457 0.416 -7.309 1.00 . A A . 9 ARG HH11 1 1 11 3491 1 1 10 ARG HH12 H -2.001 0.134 -9.038 1.00 . A A . 9 ARG HH12 1 1 11 3492 1 1 10 ARG HH21 H -5.201 1.267 -8.452 1.00 . A A . 9 ARG HH21 1 1 11 3493 1 1 10 ARG HH22 H -3.979 0.584 -9.639 1.00 . A A . 9 ARG HH22 1 1 11 3494 1 1 10 ARG N N -3.270 -0.130 -1.648 1.00 . A A . 9 ARG N 1 1 11 3495 1 1 10 ARG NE N -3.717 1.311 -6.531 1.00 . A A . 9 ARG NE 1 1 11 3496 1 1 10 ARG NH1 N -2.148 0.431 -8.067 1.00 . A A . 9 ARG NH1 1 1 11 3497 1 1 10 ARG NH2 N -4.273 0.915 -8.714 1.00 . A A . 9 ARG NH2 1 1 11 3498 1 1 10 ARG O O 0.045 0.527 -1.309 1.00 . A A . 9 ARG O 1 1 11 3499 1 1 11 ILE C C 0.294 0.548 1.586 1.00 . A A . 10 ILE C 1 1 11 3500 1 1 11 ILE CA C -0.559 1.802 1.190 1.00 . A A . 10 ILE CA 1 1 11 3501 1 1 11 ILE CB C -1.471 2.387 2.312 1.00 . A A . 10 ILE CB 1 1 11 3502 1 1 11 ILE CD1 C -3.116 4.351 2.731 1.00 . A A . 10 ILE CD1 1 1 11 3503 1 1 11 ILE CG1 C -1.896 3.841 1.969 1.00 . A A . 10 ILE CG1 1 1 11 3504 1 1 11 ILE CG2 C -0.946 2.278 3.754 1.00 . A A . 10 ILE CG2 1 1 11 3505 1 1 11 ILE H H -2.466 1.814 0.114 1.00 . A A . 10 ILE H 1 1 11 3506 1 1 11 ILE HA H 0.142 2.580 0.877 1.00 . A A . 10 ILE HA 1 1 11 3507 1 1 11 ILE HB H -2.365 1.760 2.316 1.00 . A A . 10 ILE HB 1 1 11 3508 1 1 11 ILE HD11 H -3.938 3.615 2.692 1.00 . A A . 10 ILE HD11 1 1 11 3509 1 1 11 ILE HD12 H -3.484 5.285 2.276 1.00 . A A . 10 ILE HD12 1 1 11 3510 1 1 11 ILE HD13 H -2.877 4.533 3.790 1.00 . A A . 10 ILE HD13 1 1 11 3511 1 1 11 ILE HG12 H -1.035 4.517 2.082 1.00 . A A . 10 ILE HG12 1 1 11 3512 1 1 11 ILE HG13 H -2.166 3.899 0.901 1.00 . A A . 10 ILE HG13 1 1 11 3513 1 1 11 ILE HG21 H -1.695 2.650 4.476 1.00 . A A . 10 ILE HG21 1 1 11 3514 1 1 11 ILE HG22 H -0.006 2.835 3.887 1.00 . A A . 10 ILE HG22 1 1 11 3515 1 1 11 ILE HG23 H -0.774 1.219 4.021 1.00 . A A . 10 ILE HG23 1 1 11 3516 1 1 11 ILE N N -1.467 1.550 0.022 1.00 . A A . 10 ILE N 1 1 11 3517 1 1 11 ILE O O 1.495 0.667 1.847 1.00 . A A . 10 ILE O 1 1 11 3518 1 1 12 GLY C C 1.423 -2.363 0.944 1.00 . A A . 11 GLY C 1 1 11 3519 1 1 12 GLY CA C 0.268 -1.931 1.889 1.00 . A A . 11 GLY CA 1 1 11 3520 1 1 12 GLY H H -1.372 -0.505 1.449 1.00 . A A . 11 GLY H 1 1 11 3521 1 1 12 GLY HA2 H 0.647 -1.889 2.921 1.00 . A A . 11 GLY HA2 1 1 11 3522 1 1 12 GLY HA3 H -0.511 -2.704 1.824 1.00 . A A . 11 GLY HA3 1 1 11 3523 1 1 12 GLY N N -0.366 -0.626 1.607 1.00 . A A . 11 GLY N 1 1 11 3524 1 1 12 GLY O O 2.211 -3.232 1.317 1.00 . A A . 11 GLY O 1 1 11 3525 1 1 13 LYS C C 2.785 -0.746 -2.131 1.00 . A A . 12 LYS C 1 1 11 3526 1 1 13 LYS CA C 2.487 -2.056 -1.310 1.00 . A A . 12 LYS CA 1 1 11 3527 1 1 13 LYS CB C 2.200 -3.341 -2.140 1.00 . A A . 12 LYS CB 1 1 11 3528 1 1 13 LYS CD C 3.124 -5.209 -3.656 1.00 . A A . 12 LYS CD 1 1 11 3529 1 1 13 LYS CE C 4.345 -5.727 -4.439 1.00 . A A . 12 LYS CE 1 1 11 3530 1 1 13 LYS CG C 3.416 -3.887 -2.920 1.00 . A A . 12 LYS CG 1 1 11 3531 1 1 13 LYS H H 0.582 -1.299 -0.493 1.00 . A A . 12 LYS H 1 1 11 3532 1 1 13 LYS HA H 3.426 -2.173 -0.743 1.00 . A A . 12 LYS HA 1 1 11 3533 1 1 13 LYS HB2 H 1.849 -4.144 -1.463 1.00 . A A . 12 LYS HB2 1 1 11 3534 1 1 13 LYS HB3 H 1.357 -3.157 -2.834 1.00 . A A . 12 LYS HB3 1 1 11 3535 1 1 13 LYS HD2 H 2.796 -5.972 -2.924 1.00 . A A . 12 LYS HD2 1 1 11 3536 1 1 13 LYS HD3 H 2.271 -5.063 -4.347 1.00 . A A . 12 LYS HD3 1 1 11 3537 1 1 13 LYS HE2 H 4.676 -4.977 -5.181 1.00 . A A . 12 LYS HE2 1 1 11 3538 1 1 13 LYS HE3 H 5.202 -5.887 -3.757 1.00 . A A . 12 LYS HE3 1 1 11 3539 1 1 13 LYS HG2 H 3.754 -3.136 -3.657 1.00 . A A . 12 LYS HG2 1 1 11 3540 1 1 13 LYS HG3 H 4.265 -4.033 -2.225 1.00 . A A . 12 LYS HG3 1 1 11 3541 1 1 13 LYS HZ1 H 3.802 -7.718 -4.453 1.00 . A A . 12 LYS HZ1 1 1 11 3542 1 1 13 LYS HZ3 H 4.880 -7.332 -5.621 1.00 . A A . 12 LYS HZ3 1 1 11 3543 1 1 13 LYS N N 1.436 -1.828 -0.291 1.00 . A A . 12 LYS N 1 1 11 3544 1 1 13 LYS NZ N 4.043 -6.990 -5.135 1.00 . A A . 12 LYS NZ 1 1 11 3545 1 1 13 LYS O O 2.873 -0.741 -3.362 1.00 . A A . 12 LYS O 1 1 11 3546 1 1 14 ASP C C 4.363 2.178 -0.891 1.00 . A A . 13 ASP C 1 1 11 3547 1 1 14 ASP CA C 3.324 1.713 -1.897 1.00 . A A . 13 ASP CA 1 1 11 3548 1 1 14 ASP CB C 2.133 2.653 -2.089 1.00 . A A . 13 ASP CB 1 1 11 3549 1 1 14 ASP CG C 2.398 3.872 -2.977 1.00 . A A . 13 ASP CG 1 1 11 3550 1 1 14 ASP H H 2.567 0.322 -0.447 1.00 . A A . 13 ASP H 1 1 11 3551 1 1 14 ASP HA H 3.893 1.605 -2.805 1.00 . A A . 13 ASP HA 1 1 11 3552 1 1 14 ASP HB2 H 1.288 2.074 -2.464 1.00 . A A . 13 ASP HB2 1 1 11 3553 1 1 14 ASP HB3 H 1.813 2.978 -1.100 1.00 . A A . 13 ASP HB3 1 1 11 3554 1 1 14 ASP HD2 H 2.338 4.372 -4.857 1.00 . A A . 13 ASP HD2 1 1 11 3555 1 1 14 ASP N N 2.975 0.364 -1.391 1.00 . A A . 13 ASP N 1 1 11 3556 1 1 14 ASP O O 5.490 2.444 -1.311 1.00 . A A . 13 ASP O 1 1 11 3557 1 1 14 ASP OD1 O 2.777 4.958 -2.540 1.00 . A A . 13 ASP OD1 1 1 11 3558 1 1 14 ASP OD2 O 2.169 3.607 -4.303 1.00 . A A . 13 ASP OD2 1 1 11 3559 1 1 15 VAL C C 5.293 1.502 2.347 1.00 . A A . 14 VAL C 1 1 11 3560 1 1 15 VAL CA C 4.970 2.746 1.435 1.00 . A A . 14 VAL CA 1 1 11 3561 1 1 15 VAL CB C 4.682 4.075 2.144 1.00 . A A . 14 VAL CB 1 1 11 3562 1 1 15 VAL CG1 C 4.636 5.215 1.115 1.00 . A A . 14 VAL CG1 1 1 11 3563 1 1 15 VAL CG2 C 3.408 4.031 3.008 1.00 . A A . 14 VAL CG2 1 1 11 3564 1 1 15 VAL H H 3.069 1.985 0.624 1.00 . A A . 14 VAL H 1 1 11 3565 1 1 15 VAL HA H 5.931 2.888 0.914 1.00 . A A . 14 VAL HA 1 1 11 3566 1 1 15 VAL HB H 5.569 4.247 2.775 1.00 . A A . 14 VAL HB 1 1 11 3567 1 1 15 VAL HG11 H 5.545 5.196 0.484 1.00 . A A . 14 VAL HG11 1 1 11 3568 1 1 15 VAL HG12 H 3.772 5.093 0.432 1.00 . A A . 14 VAL HG12 1 1 11 3569 1 1 15 VAL HG13 H 4.566 6.196 1.604 1.00 . A A . 14 VAL HG13 1 1 11 3570 1 1 15 VAL HG21 H 3.244 4.986 3.530 1.00 . A A . 14 VAL HG21 1 1 11 3571 1 1 15 VAL HG22 H 3.473 3.236 3.772 1.00 . A A . 14 VAL HG22 1 1 11 3572 1 1 15 VAL HG23 H 2.517 3.811 2.390 1.00 . A A . 14 VAL HG23 1 1 11 3573 1 1 15 VAL N N 3.976 2.381 0.388 1.00 . A A . 14 VAL N 1 1 11 3574 1 1 15 VAL O O 5.331 1.475 3.578 1.00 . A A . 14 VAL O 1 1 11 3575 1 1 16 TYR C C 6.894 -1.182 0.579 1.00 . A A . 15 TYR C 1 1 11 3576 1 1 16 TYR CA C 5.995 -0.876 1.821 1.00 . A A . 15 TYR CA 1 1 11 3577 1 1 16 TYR CB C 4.854 -1.875 2.083 1.00 . A A . 15 TYR CB 1 1 11 3578 1 1 16 TYR CD1 C 5.932 -3.694 3.498 1.00 . A A . 15 TYR CD1 1 1 11 3579 1 1 16 TYR CD2 C 5.370 -4.212 1.206 1.00 . A A . 15 TYR CD2 1 1 11 3580 1 1 16 TYR CE1 C 6.521 -4.948 3.637 1.00 . A A . 15 TYR CE1 1 1 11 3581 1 1 16 TYR CE2 C 5.961 -5.465 1.346 1.00 . A A . 15 TYR CE2 1 1 11 3582 1 1 16 TYR CG C 5.353 -3.317 2.283 1.00 . A A . 15 TYR CG 1 1 11 3583 1 1 16 TYR CZ C 6.536 -5.834 2.561 1.00 . A A . 15 TYR CZ 1 1 11 3584 1 1 16 TYR H H 5.152 0.778 0.623 1.00 . A A . 15 TYR H 1 1 11 3585 1 1 16 TYR HA H 6.641 -0.824 2.706 1.00 . A A . 15 TYR HA 1 1 11 3586 1 1 16 TYR HB2 H 4.267 -1.553 2.965 1.00 . A A . 15 TYR HB2 1 1 11 3587 1 1 16 TYR HB3 H 4.153 -1.811 1.240 1.00 . A A . 15 TYR HB3 1 1 11 3588 1 1 16 TYR HD1 H 5.976 -2.994 4.320 1.00 . A A . 15 TYR HD1 1 1 11 3589 1 1 16 TYR HD2 H 4.977 -3.921 0.241 1.00 . A A . 15 TYR HD2 1 1 11 3590 1 1 16 TYR HE1 H 6.990 -5.209 4.574 1.00 . A A . 15 TYR HE1 1 1 11 3591 1 1 16 TYR HE2 H 5.995 -6.131 0.498 1.00 . A A . 15 TYR HE2 1 1 11 3592 1 1 16 TYR HH H 7.494 -7.142 3.578 1.00 . A A . 15 TYR HH 1 1 11 3593 1 1 16 TYR N N 5.574 0.497 1.539 1.00 . A A . 15 TYR N 1 1 11 3594 1 1 16 TYR O O 7.969 -1.744 0.783 1.00 . A A . 15 TYR O 1 1 11 3595 1 1 16 TYR OH O 7.145 -7.058 2.688 1.00 . A A . 15 TYR OH 1 1 11 3596 1 1 17 ASP C C 8.423 -0.031 -1.893 1.00 . A A . 16 ASP C 1 1 11 3597 1 1 17 ASP CA C 7.295 -1.109 -1.891 1.00 . A A . 16 ASP CA 1 1 11 3598 1 1 17 ASP CB C 6.445 -1.215 -3.163 1.00 . A A . 16 ASP CB 1 1 11 3599 1 1 17 ASP CG C 7.181 -1.747 -4.398 1.00 . A A . 16 ASP CG 1 1 11 3600 1 1 17 ASP H H 5.603 -0.329 -0.704 1.00 . A A . 16 ASP H 1 1 11 3601 1 1 17 ASP HA H 7.801 -2.049 -1.738 1.00 . A A . 16 ASP HA 1 1 11 3602 1 1 17 ASP HB2 H 5.570 -1.866 -2.986 1.00 . A A . 16 ASP HB2 1 1 11 3603 1 1 17 ASP HB3 H 6.037 -0.222 -3.362 1.00 . A A . 16 ASP HB3 1 1 11 3604 1 1 17 ASP HD2 H 8.227 -1.082 -5.900 1.00 . A A . 16 ASP HD2 1 1 11 3605 1 1 17 ASP N N 6.454 -0.908 -0.687 1.00 . A A . 16 ASP N 1 1 11 3606 1 1 17 ASP O O 9.574 -0.393 -2.155 1.00 . A A . 16 ASP O 1 1 11 3607 1 1 17 ASP OD1 O 7.235 -2.941 -4.691 1.00 . A A . 16 ASP OD1 1 1 11 3608 1 1 17 ASP OD2 O 7.766 -0.744 -5.128 1.00 . A A . 16 ASP OD2 1 1 11 3609 1 1 18 LYS C C 10.020 2.149 -0.213 1.00 . A A . 17 LYS C 1 1 11 3610 1 1 18 LYS CA C 9.145 2.328 -1.528 1.00 . A A . 17 LYS CA 1 1 11 3611 1 1 18 LYS CB C 8.448 3.716 -1.609 1.00 . A A . 17 LYS CB 1 1 11 3612 1 1 18 LYS CD C 10.203 5.049 -3.007 1.00 . A A . 17 LYS CD 1 1 11 3613 1 1 18 LYS CE C 11.083 6.309 -3.124 1.00 . A A . 17 LYS CE 1 1 11 3614 1 1 18 LYS CG C 9.359 4.962 -1.714 1.00 . A A . 17 LYS CG 1 1 11 3615 1 1 18 LYS H H 7.162 1.451 -1.270 1.00 . A A . 17 LYS H 1 1 11 3616 1 1 18 LYS HA H 9.785 2.213 -2.410 1.00 . A A . 17 LYS HA 1 1 11 3617 1 1 18 LYS HB2 H 7.756 3.735 -2.474 1.00 . A A . 17 LYS HB2 1 1 11 3618 1 1 18 LYS HB3 H 7.795 3.846 -0.725 1.00 . A A . 17 LYS HB3 1 1 11 3619 1 1 18 LYS HD2 H 10.869 4.168 -3.056 1.00 . A A . 17 LYS HD2 1 1 11 3620 1 1 18 LYS HD3 H 9.548 4.964 -3.895 1.00 . A A . 17 LYS HD3 1 1 11 3621 1 1 18 LYS HE2 H 11.707 6.431 -2.219 1.00 . A A . 17 LYS HE2 1 1 11 3622 1 1 18 LYS HE3 H 11.794 6.180 -3.960 1.00 . A A . 17 LYS HE3 1 1 11 3623 1 1 18 LYS HG2 H 8.714 5.859 -1.646 1.00 . A A . 17 LYS HG2 1 1 11 3624 1 1 18 LYS HG3 H 10.020 5.019 -0.830 1.00 . A A . 17 LYS HG3 1 1 11 3625 1 1 18 LYS HZ1 H 9.690 7.728 -2.561 1.00 . A A . 17 LYS HZ1 1 1 11 3626 1 1 18 LYS HZ3 H 10.942 8.351 -3.408 1.00 . A A . 17 LYS HZ3 1 1 11 3627 1 1 18 LYS N N 8.112 1.265 -1.624 1.00 . A A . 17 LYS N 1 1 11 3628 1 1 18 LYS NZ N 10.310 7.544 -3.358 1.00 . A A . 17 LYS NZ 1 1 11 3629 1 1 18 LYS O O 11.126 2.689 -0.136 1.00 . A A . 17 LYS O 1 1 11 3630 1 1 19 VAL C C 11.221 -0.089 1.866 1.00 . A A . 18 VAL C 1 1 11 3631 1 1 19 VAL CA C 10.199 1.060 2.073 1.00 . A A . 18 VAL CA 1 1 11 3632 1 1 19 VAL CB C 9.183 0.902 3.255 1.00 . A A . 18 VAL CB 1 1 11 3633 1 1 19 VAL CG1 C 9.711 0.222 4.523 1.00 . A A . 18 VAL CG1 1 1 11 3634 1 1 19 VAL CG2 C 8.491 2.225 3.638 1.00 . A A . 18 VAL CG2 1 1 11 3635 1 1 19 VAL H H 8.769 0.780 0.432 1.00 . A A . 18 VAL H 1 1 11 3636 1 1 19 VAL HA H 10.799 1.919 2.289 1.00 . A A . 18 VAL HA 1 1 11 3637 1 1 19 VAL HB H 8.403 0.223 2.942 1.00 . A A . 18 VAL HB 1 1 11 3638 1 1 19 VAL HG11 H 10.053 -0.804 4.291 1.00 . A A . 18 VAL HG11 1 1 11 3639 1 1 19 VAL HG12 H 10.546 0.783 4.969 1.00 . A A . 18 VAL HG12 1 1 11 3640 1 1 19 VAL HG13 H 8.903 0.113 5.271 1.00 . A A . 18 VAL HG13 1 1 11 3641 1 1 19 VAL HG21 H 9.208 2.976 4.008 1.00 . A A . 18 VAL HG21 1 1 11 3642 1 1 19 VAL HG22 H 7.729 2.066 4.425 1.00 . A A . 18 VAL HG22 1 1 11 3643 1 1 19 VAL HG23 H 7.957 2.661 2.773 1.00 . A A . 18 VAL HG23 1 1 11 3644 1 1 19 VAL N N 9.514 1.384 0.794 1.00 . A A . 18 VAL N 1 1 11 3645 1 1 19 VAL O O 12.392 0.076 2.223 1.00 . A A . 18 VAL O 1 1 11 3646 1 1 20 LYS C C 12.780 -2.077 -0.074 1.00 . A A . 19 LYS C 1 1 11 3647 1 1 20 LYS CA C 11.671 -2.388 1.007 1.00 . A A . 19 LYS CA 1 1 11 3648 1 1 20 LYS CB C 10.742 -3.562 0.587 1.00 . A A . 19 LYS CB 1 1 11 3649 1 1 20 LYS CD C 10.374 -6.087 0.274 1.00 . A A . 19 LYS CD 1 1 11 3650 1 1 20 LYS CE C 10.955 -7.515 0.304 1.00 . A A . 19 LYS CE 1 1 11 3651 1 1 20 LYS CG C 11.391 -4.963 0.579 1.00 . A A . 19 LYS CG 1 1 11 3652 1 1 20 LYS H H 9.793 -1.249 1.066 1.00 . A A . 19 LYS H 1 1 11 3653 1 1 20 LYS HA H 12.162 -2.663 1.953 1.00 . A A . 19 LYS HA 1 1 11 3654 1 1 20 LYS HB2 H 9.878 -3.611 1.279 1.00 . A A . 19 LYS HB2 1 1 11 3655 1 1 20 LYS HB3 H 10.303 -3.348 -0.408 1.00 . A A . 19 LYS HB3 1 1 11 3656 1 1 20 LYS HD2 H 9.558 -6.038 1.019 1.00 . A A . 19 LYS HD2 1 1 11 3657 1 1 20 LYS HD3 H 9.883 -5.902 -0.701 1.00 . A A . 19 LYS HD3 1 1 11 3658 1 1 20 LYS HE2 H 11.485 -7.698 1.257 1.00 . A A . 19 LYS HE2 1 1 11 3659 1 1 20 LYS HE3 H 10.125 -8.245 0.281 1.00 . A A . 19 LYS HE3 1 1 11 3660 1 1 20 LYS HG2 H 12.207 -4.992 -0.166 1.00 . A A . 19 LYS HG2 1 1 11 3661 1 1 20 LYS HG3 H 11.867 -5.155 1.559 1.00 . A A . 19 LYS HG3 1 1 11 3662 1 1 20 LYS HZ1 H 12.230 -8.756 -0.747 1.00 . A A . 19 LYS HZ1 1 1 11 3663 1 1 20 LYS HZ3 H 12.677 -7.184 -0.790 1.00 . A A . 19 LYS HZ3 1 1 11 3664 1 1 20 LYS N N 10.785 -1.236 1.314 1.00 . A A . 19 LYS N 1 1 11 3665 1 1 20 LYS NZ N 11.859 -7.803 -0.827 1.00 . A A . 19 LYS NZ 1 1 11 3666 1 1 20 LYS O O 13.734 -2.849 -0.205 1.00 . A A . 19 LYS O 1 1 11 3667 1 1 21 GLU C C 14.754 0.352 -1.214 1.00 . A A . 20 GLU C 1 1 11 3668 1 1 21 GLU CA C 13.619 -0.493 -1.835 1.00 . A A . 20 GLU CA 1 1 11 3669 1 1 21 GLU CB C 12.824 0.167 -2.980 1.00 . A A . 20 GLU CB 1 1 11 3670 1 1 21 GLU CD C 14.216 -0.541 -5.041 1.00 . A A . 20 GLU CD 1 1 11 3671 1 1 21 GLU CG C 13.618 0.610 -4.224 1.00 . A A . 20 GLU CG 1 1 11 3672 1 1 21 GLU H H 11.990 -0.268 -0.447 1.00 . A A . 20 GLU H 1 1 11 3673 1 1 21 GLU HA H 14.075 -1.363 -2.252 1.00 . A A . 20 GLU HA 1 1 11 3674 1 1 21 GLU HB2 H 11.995 -0.496 -3.294 1.00 . A A . 20 GLU HB2 1 1 11 3675 1 1 21 GLU HB3 H 12.332 1.046 -2.555 1.00 . A A . 20 GLU HB3 1 1 11 3676 1 1 21 GLU HE2 H 15.880 -1.540 -5.191 1.00 . A A . 20 GLU HE2 1 1 11 3677 1 1 21 GLU HG2 H 12.940 1.190 -4.875 1.00 . A A . 20 GLU HG2 1 1 11 3678 1 1 21 GLU HG3 H 14.411 1.319 -3.924 1.00 . A A . 20 GLU HG3 1 1 11 3679 1 1 21 GLU N N 12.655 -0.952 -0.821 1.00 . A A . 20 GLU N 1 1 11 3680 1 1 21 GLU O O 15.924 -0.031 -1.237 1.00 . A A . 20 GLU O 1 1 11 3681 1 1 21 GLU OE1 O 13.597 -1.141 -5.920 1.00 . A A . 20 GLU OE1 1 1 11 3682 1 1 21 GLU OE2 O 15.509 -0.818 -4.678 1.00 . A A . 20 GLU OE2 1 1 11 3683 1 1 22 NH2 HN1 H 13.634 1.921 -1.025 1.00 . A A . 21 NH2 HN1 1 1 11 3684 1 1 22 NH2 HN2 H 14.333 1.153 0.407 1.00 . A A . 21 NH2 HN2 1 1 11 3685 1 1 22 NH2 N N 14.423 1.452 -0.566 1.00 . A A . 21 NH2 N 1 1 12 3686 1 1 2 GLU C C -13.235 -2.630 -2.090 1.00 . A A . 1 ACE C 1 1 12 3687 1 1 2 GLU CA C -14.161 -0.654 -0.897 1.00 . A A . 1 ACE CA 1 1 12 3688 1 1 2 GLU CB C -15.202 -0.532 0.265 1.00 . A A . 1 ACE CB 1 1 12 3689 1 1 2 GLU CD C -17.495 -1.149 1.226 1.00 . A A . 1 ACE CD 1 1 12 3690 1 1 2 GLU CG C -16.571 -1.177 0.006 1.00 . A A . 1 ACE CG 1 1 12 3691 1 1 2 GLU H H -14.318 -2.761 -0.433 1.00 . A A . 1 ACE H 1 1 12 3692 1 1 2 GLU HA H -14.703 -0.371 -1.819 1.00 . A A . 1 ACE HA 1 1 12 3693 1 1 2 GLU HB2 H -14.737 -0.856 1.212 1.00 . A A . 1 ACE HB2 1 1 12 3694 1 1 2 GLU HB3 H -15.431 0.527 0.448 1.00 . A A . 1 ACE HB3 1 1 12 3695 1 1 2 GLU HE2 H -17.880 -2.208 2.814 1.00 . A A . 1 ACE HE2 1 1 12 3696 1 1 2 GLU HG2 H -17.045 -0.624 -0.827 1.00 . A A . 1 ACE HG2 1 1 12 3697 1 1 2 GLU HG3 H -16.436 -2.213 -0.343 1.00 . A A . 1 ACE HG3 1 1 12 3698 1 1 2 GLU N N -13.780 -2.088 -0.987 1.00 . A A . 1 ACE N 1 1 12 3699 1 1 2 GLU O O -12.857 -1.973 -3.064 1.00 . A A . 1 ACE O 1 1 12 3700 1 1 2 GLU OE1 O -18.316 -0.257 1.434 1.00 . A A . 1 ACE OE1 1 1 12 3701 1 1 2 GLU OE2 O -17.299 -2.228 2.050 1.00 . A A . 1 ACE OE2 1 1 12 3702 1 1 3 SER C C -11.131 2.222 0.873 1.00 . A A . 2 SER C 1 1 12 3703 1 1 3 SER CA C -12.260 2.627 -0.082 1.00 . A A . 2 SER CA 1 1 12 3704 1 1 3 SER CB C -12.993 3.897 0.366 1.00 . A A . 2 SER CB 1 1 12 3705 1 1 3 SER H H -14.261 1.646 -0.201 1.00 . A A . 2 SER H 1 1 12 3706 1 1 3 SER HA H -11.835 2.874 -1.052 1.00 . A A . 2 SER HA 1 1 12 3707 1 1 3 SER HB2 H -13.913 4.053 -0.215 1.00 . A A . 2 SER HB2 1 1 12 3708 1 1 3 SER HB3 H -13.321 3.765 1.398 1.00 . A A . 2 SER HB3 1 1 12 3709 1 1 3 SER HG H -11.925 5.122 -0.662 1.00 . A A . 2 SER HG 1 1 12 3710 1 1 3 SER N N -13.246 1.538 -0.296 1.00 . A A . 2 SER N 1 1 12 3711 1 1 3 SER O O -9.967 2.326 0.497 1.00 . A A . 2 SER O 1 1 12 3712 1 1 3 SER OG O -12.158 5.044 0.266 1.00 . A A . 2 SER OG 1 1 12 3713 1 1 4 ALA C C -9.907 -0.182 2.856 1.00 . A A . 3 ALA C 1 1 12 3714 1 1 4 ALA CA C -10.515 1.251 3.080 1.00 . A A . 3 ALA CA 1 1 12 3715 1 1 4 ALA CB C -11.152 1.381 4.461 1.00 . A A . 3 ALA CB 1 1 12 3716 1 1 4 ALA H H -12.518 1.719 2.170 1.00 . A A . 3 ALA H 1 1 12 3717 1 1 4 ALA HA H -9.637 1.916 2.985 1.00 . A A . 3 ALA HA 1 1 12 3718 1 1 4 ALA HB1 H -10.426 1.124 5.250 1.00 . A A . 3 ALA HB1 1 1 12 3719 1 1 4 ALA HB2 H -11.506 2.410 4.644 1.00 . A A . 3 ALA HB2 1 1 12 3720 1 1 4 ALA HB3 H -12.015 0.694 4.555 1.00 . A A . 3 ALA HB3 1 1 12 3721 1 1 4 ALA N N -11.500 1.745 2.076 1.00 . A A . 3 ALA N 1 1 12 3722 1 1 4 ALA O O -9.371 -0.842 3.751 1.00 . A A . 3 ALA O 1 1 12 3723 1 1 5 LYS C C -8.956 -1.610 -0.470 1.00 . A A . 4 LYS C 1 1 12 3724 1 1 5 LYS CA C -9.544 -1.847 0.984 1.00 . A A . 4 LYS CA 1 1 12 3725 1 1 5 LYS CB C -10.607 -2.970 1.070 1.00 . A A . 4 LYS CB 1 1 12 3726 1 1 5 LYS CD C -11.053 -5.552 1.038 1.00 . A A . 4 LYS CD 1 1 12 3727 1 1 5 LYS CE C -12.062 -5.709 2.197 1.00 . A A . 4 LYS CE 1 1 12 3728 1 1 5 LYS CG C -10.027 -4.400 1.140 1.00 . A A . 4 LYS CG 1 1 12 3729 1 1 5 LYS H H -10.635 0.056 1.111 1.00 . A A . 4 LYS H 1 1 12 3730 1 1 5 LYS HA H -8.642 -2.055 1.571 1.00 . A A . 4 LYS HA 1 1 12 3731 1 1 5 LYS HB2 H -11.239 -2.818 1.965 1.00 . A A . 4 LYS HB2 1 1 12 3732 1 1 5 LYS HB3 H -11.295 -2.873 0.210 1.00 . A A . 4 LYS HB3 1 1 12 3733 1 1 5 LYS HD2 H -11.581 -5.507 0.068 1.00 . A A . 4 LYS HD2 1 1 12 3734 1 1 5 LYS HD3 H -10.472 -6.491 0.984 1.00 . A A . 4 LYS HD3 1 1 12 3735 1 1 5 LYS HE2 H -12.446 -6.746 2.202 1.00 . A A . 4 LYS HE2 1 1 12 3736 1 1 5 LYS HE3 H -11.561 -5.573 3.173 1.00 . A A . 4 LYS HE3 1 1 12 3737 1 1 5 LYS HG2 H -9.294 -4.535 0.325 1.00 . A A . 4 LYS HG2 1 1 12 3738 1 1 5 LYS HG3 H -9.441 -4.512 2.072 1.00 . A A . 4 LYS HG3 1 1 12 3739 1 1 5 LYS HZ1 H -13.878 -4.982 2.863 1.00 . A A . 4 LYS HZ1 1 1 12 3740 1 1 5 LYS HZ3 H -13.739 -4.980 1.234 1.00 . A A . 4 LYS HZ3 1 1 12 3741 1 1 5 LYS N N -10.038 -0.603 1.606 1.00 . A A . 4 LYS N 1 1 12 3742 1 1 5 LYS NZ N -13.218 -4.797 2.099 1.00 . A A . 4 LYS NZ 1 1 12 3743 1 1 5 LYS O O -8.717 -2.543 -1.239 1.00 . A A . 4 LYS O 1 1 12 3744 1 1 6 HIS C C -7.023 1.181 -1.511 1.00 . A A . 5 HIS C 1 1 12 3745 1 1 6 HIS CA C -8.162 0.241 -2.030 1.00 . A A . 5 HIS CA 1 1 12 3746 1 1 6 HIS CB C -9.173 0.886 -3.001 1.00 . A A . 5 HIS CB 1 1 12 3747 1 1 6 HIS CD2 C -7.912 0.254 -5.173 1.00 . A A . 5 HIS CD2 1 1 12 3748 1 1 6 HIS CE1 C -7.396 2.180 -5.839 1.00 . A A . 5 HIS CE1 1 1 12 3749 1 1 6 HIS CG C -8.492 1.216 -4.328 1.00 . A A . 5 HIS CG 1 1 12 3750 1 1 6 HIS H H -9.350 0.259 -0.204 1.00 . A A . 5 HIS H 1 1 12 3751 1 1 6 HIS HA H -7.640 -0.581 -2.528 1.00 . A A . 5 HIS HA 1 1 12 3752 1 1 6 HIS HB2 H -10.011 0.190 -3.195 1.00 . A A . 5 HIS HB2 1 1 12 3753 1 1 6 HIS HB3 H -9.633 1.786 -2.551 1.00 . A A . 5 HIS HB3 1 1 12 3754 1 1 6 HIS HD2 H -7.954 -0.815 -5.021 1.00 . A A . 5 HIS HD2 1 1 12 3755 1 1 6 HIS HE1 H -6.939 2.964 -6.425 1.00 . A A . 5 HIS HE1 1 1 12 3756 1 1 6 HIS HE2 H -6.627 0.462 -6.929 1.00 . A A . 5 HIS HE2 1 1 12 3757 1 1 6 HIS N N -8.752 -0.325 -0.801 1.00 . A A . 5 HIS N 1 1 12 3758 1 1 6 HIS ND1 N -8.161 2.502 -4.743 1.00 . A A . 5 HIS ND1 1 1 12 3759 1 1 6 HIS NE2 N -7.199 0.870 -6.181 1.00 . A A . 5 HIS NE2 1 1 12 3760 1 1 6 HIS O O -5.934 1.143 -2.086 1.00 . A A . 5 HIS O 1 1 12 3761 1 1 7 MET C C -5.298 1.987 0.913 1.00 . A A . 6 MET C 1 1 12 3762 1 1 7 MET CA C -6.238 2.926 0.117 1.00 . A A . 6 MET CA 1 1 12 3763 1 1 7 MET CB C -6.818 4.118 0.930 1.00 . A A . 6 MET CB 1 1 12 3764 1 1 7 MET CE C -9.028 4.781 4.407 1.00 . A A . 6 MET CE 1 1 12 3765 1 1 7 MET CG C -7.761 3.845 2.114 1.00 . A A . 6 MET CG 1 1 12 3766 1 1 7 MET H H -8.065 1.804 0.076 1.00 . A A . 6 MET H 1 1 12 3767 1 1 7 MET HA H -5.613 3.300 -0.698 1.00 . A A . 6 MET HA 1 1 12 3768 1 1 7 MET HB2 H -5.970 4.697 1.331 1.00 . A A . 6 MET HB2 1 1 12 3769 1 1 7 MET HB3 H -7.355 4.799 0.248 1.00 . A A . 6 MET HB3 1 1 12 3770 1 1 7 MET HE1 H -8.890 3.770 4.831 1.00 . A A . 6 MET HE1 1 1 12 3771 1 1 7 MET HE2 H -9.994 4.801 3.871 1.00 . A A . 6 MET HE2 1 1 12 3772 1 1 7 MET HE3 H -9.086 5.498 5.245 1.00 . A A . 6 MET HE3 1 1 12 3773 1 1 7 MET HG2 H -8.801 3.752 1.764 1.00 . A A . 6 MET HG2 1 1 12 3774 1 1 7 MET HG3 H -7.514 2.902 2.627 1.00 . A A . 6 MET HG3 1 1 12 3775 1 1 7 MET N N -7.263 2.056 -0.494 1.00 . A A . 6 MET N 1 1 12 3776 1 1 7 MET O O -4.102 2.045 0.673 1.00 . A A . 6 MET O 1 1 12 3777 1 1 7 MET SD S -7.670 5.209 3.300 1.00 . A A . 6 MET SD 1 1 12 3778 1 1 8 PHE C C -4.315 -0.908 1.636 1.00 . A A . 7 PHE C 1 1 12 3779 1 1 8 PHE CA C -5.035 0.116 2.563 1.00 . A A . 7 PHE CA 1 1 12 3780 1 1 8 PHE CB C -6.001 -0.564 3.560 1.00 . A A . 7 PHE CB 1 1 12 3781 1 1 8 PHE CD1 C -5.130 -0.225 5.918 1.00 . A A . 7 PHE CD1 1 1 12 3782 1 1 8 PHE CD2 C -7.010 1.106 5.187 1.00 . A A . 7 PHE CD2 1 1 12 3783 1 1 8 PHE CE1 C -5.151 0.425 7.147 1.00 . A A . 7 PHE CE1 1 1 12 3784 1 1 8 PHE CE2 C -7.030 1.753 6.417 1.00 . A A . 7 PHE CE2 1 1 12 3785 1 1 8 PHE CG C -6.058 0.114 4.930 1.00 . A A . 7 PHE CG 1 1 12 3786 1 1 8 PHE CZ C -6.101 1.414 7.399 1.00 . A A . 7 PHE CZ 1 1 12 3787 1 1 8 PHE H H -6.840 1.053 1.791 1.00 . A A . 7 PHE H 1 1 12 3788 1 1 8 PHE HA H -4.252 0.667 3.092 1.00 . A A . 7 PHE HA 1 1 12 3789 1 1 8 PHE HB2 H -7.004 -0.559 3.114 1.00 . A A . 7 PHE HB2 1 1 12 3790 1 1 8 PHE HB3 H -5.779 -1.641 3.674 1.00 . A A . 7 PHE HB3 1 1 12 3791 1 1 8 PHE HD1 H -4.380 -0.981 5.732 1.00 . A A . 7 PHE HD1 1 1 12 3792 1 1 8 PHE HD2 H -7.732 1.387 4.434 1.00 . A A . 7 PHE HD2 1 1 12 3793 1 1 8 PHE HE1 H -4.416 0.156 7.888 1.00 . A A . 7 PHE HE1 1 1 12 3794 1 1 8 PHE HE2 H -7.768 2.521 6.586 1.00 . A A . 7 PHE HE2 1 1 12 3795 1 1 8 PHE HZ H -6.114 1.921 8.353 1.00 . A A . 7 PHE HZ 1 1 12 3796 1 1 8 PHE N N -5.820 1.111 1.796 1.00 . A A . 7 PHE N 1 1 12 3797 1 1 8 PHE O O -3.207 -1.335 1.965 1.00 . A A . 7 PHE O 1 1 12 3798 1 1 9 ASP C C -3.094 -1.532 -1.148 1.00 . A A . 8 ASP C 1 1 12 3799 1 1 9 ASP CA C -4.337 -2.223 -0.499 1.00 . A A . 8 ASP CA 1 1 12 3800 1 1 9 ASP CB C -5.398 -2.582 -1.565 1.00 . A A . 8 ASP CB 1 1 12 3801 1 1 9 ASP CG C -5.032 -3.755 -2.484 1.00 . A A . 8 ASP CG 1 1 12 3802 1 1 9 ASP H H -5.948 -1.059 0.539 1.00 . A A . 8 ASP H 1 1 12 3803 1 1 9 ASP HA H -4.062 -3.168 0.009 1.00 . A A . 8 ASP HA 1 1 12 3804 1 1 9 ASP HB2 H -6.335 -2.819 -1.053 1.00 . A A . 8 ASP HB2 1 1 12 3805 1 1 9 ASP HB3 H -5.642 -1.700 -2.185 1.00 . A A . 8 ASP HB3 1 1 12 3806 1 1 9 ASP HD2 H -5.713 -4.875 -1.045 1.00 . A A . 8 ASP HD2 1 1 12 3807 1 1 9 ASP N N -4.947 -1.300 0.505 1.00 . A A . 8 ASP N 1 1 12 3808 1 1 9 ASP O O -2.028 -2.148 -1.235 1.00 . A A . 8 ASP O 1 1 12 3809 1 1 9 ASP OD1 O -4.528 -3.611 -3.597 1.00 . A A . 8 ASP OD1 1 1 12 3810 1 1 9 ASP OD2 O -5.327 -4.969 -1.919 1.00 . A A . 8 ASP OD2 1 1 12 3811 1 1 10 ARG C C -1.091 0.833 -1.092 1.00 . A A . 9 ARG C 1 1 12 3812 1 1 10 ARG CA C -2.172 0.567 -2.165 1.00 . A A . 9 ARG CA 1 1 12 3813 1 1 10 ARG CB C -2.668 1.878 -2.827 1.00 . A A . 9 ARG CB 1 1 12 3814 1 1 10 ARG CD C -3.055 1.154 -5.342 1.00 . A A . 9 ARG CD 1 1 12 3815 1 1 10 ARG CG C -3.625 1.766 -4.044 1.00 . A A . 9 ARG CG 1 1 12 3816 1 1 10 ARG CZ C -2.547 -1.111 -6.294 1.00 . A A . 9 ARG CZ 1 1 12 3817 1 1 10 ARG H H -4.226 0.091 -1.458 1.00 . A A . 9 ARG H 1 1 12 3818 1 1 10 ARG HA H -1.686 -0.059 -2.911 1.00 . A A . 9 ARG HA 1 1 12 3819 1 1 10 ARG HB2 H -3.162 2.501 -2.057 1.00 . A A . 9 ARG HB2 1 1 12 3820 1 1 10 ARG HB3 H -1.790 2.473 -3.141 1.00 . A A . 9 ARG HB3 1 1 12 3821 1 1 10 ARG HD2 H -3.682 1.482 -6.192 1.00 . A A . 9 ARG HD2 1 1 12 3822 1 1 10 ARG HD3 H -2.042 1.554 -5.541 1.00 . A A . 9 ARG HD3 1 1 12 3823 1 1 10 ARG HG2 H -4.557 1.246 -3.758 1.00 . A A . 9 ARG HG2 1 1 12 3824 1 1 10 ARG HG3 H -3.955 2.793 -4.286 1.00 . A A . 9 ARG HG3 1 1 12 3825 1 1 10 ARG HH11 H -1.994 0.376 -7.531 1.00 . A A . 9 ARG HH11 1 1 12 3826 1 1 10 ARG HH12 H -1.680 -1.341 -8.095 1.00 . A A . 9 ARG HH12 1 1 12 3827 1 1 10 ARG HH21 H -3.006 -2.754 -5.246 1.00 . A A . 9 ARG HH21 1 1 12 3828 1 1 10 ARG HH22 H -2.216 -2.995 -6.885 1.00 . A A . 9 ARG HH22 1 1 12 3829 1 1 10 ARG N N -3.262 -0.254 -1.583 1.00 . A A . 9 ARG N 1 1 12 3830 1 1 10 ARG NE N -3.037 -0.330 -5.313 1.00 . A A . 9 ARG NE 1 1 12 3831 1 1 10 ARG NH1 N -2.019 -0.644 -7.424 1.00 . A A . 9 ARG NH1 1 1 12 3832 1 1 10 ARG NH2 N -2.594 -2.419 -6.124 1.00 . A A . 9 ARG NH2 1 1 12 3833 1 1 10 ARG O O 0.052 0.427 -1.292 1.00 . A A . 9 ARG O 1 1 12 3834 1 1 11 ILE C C 0.334 0.465 1.602 1.00 . A A . 10 ILE C 1 1 12 3835 1 1 11 ILE CA C -0.529 1.712 1.208 1.00 . A A . 10 ILE CA 1 1 12 3836 1 1 11 ILE CB C -1.432 2.297 2.338 1.00 . A A . 10 ILE CB 1 1 12 3837 1 1 11 ILE CD1 C -3.077 4.258 2.771 1.00 . A A . 10 ILE CD1 1 1 12 3838 1 1 11 ILE CG1 C -1.864 3.749 1.996 1.00 . A A . 10 ILE CG1 1 1 12 3839 1 1 11 ILE CG2 C -0.897 2.193 3.777 1.00 . A A . 10 ILE CG2 1 1 12 3840 1 1 11 ILE H H -2.447 1.709 0.159 1.00 . A A . 10 ILE H 1 1 12 3841 1 1 11 ILE HA H 0.163 2.493 0.881 1.00 . A A . 10 ILE HA 1 1 12 3842 1 1 11 ILE HB H -2.324 1.668 2.352 1.00 . A A . 10 ILE HB 1 1 12 3843 1 1 11 ILE HD11 H -3.894 3.516 2.752 1.00 . A A . 10 ILE HD11 1 1 12 3844 1 1 11 ILE HD12 H -2.824 4.452 3.824 1.00 . A A . 10 ILE HD12 1 1 12 3845 1 1 11 ILE HD13 H -3.459 5.185 2.312 1.00 . A A . 10 ILE HD13 1 1 12 3846 1 1 11 ILE HG12 H -1.004 4.428 2.096 1.00 . A A . 10 ILE HG12 1 1 12 3847 1 1 11 ILE HG13 H -2.146 3.803 0.931 1.00 . A A . 10 ILE HG13 1 1 12 3848 1 1 11 ILE HG21 H -1.643 2.563 4.502 1.00 . A A . 10 ILE HG21 1 1 12 3849 1 1 11 ILE HG22 H -0.719 1.136 4.045 1.00 . A A . 10 ILE HG22 1 1 12 3850 1 1 11 ILE HG23 H 0.041 2.755 3.903 1.00 . A A . 10 ILE HG23 1 1 12 3851 1 1 11 ILE N N -1.450 1.447 0.053 1.00 . A A . 10 ILE N 1 1 12 3852 1 1 11 ILE O O 1.536 0.591 1.852 1.00 . A A . 10 ILE O 1 1 12 3853 1 1 12 GLY C C 1.475 -2.442 0.969 1.00 . A A . 11 GLY C 1 1 12 3854 1 1 12 GLY CA C 0.323 -2.014 1.920 1.00 . A A . 11 GLY CA 1 1 12 3855 1 1 12 GLY H H -1.330 -0.598 1.492 1.00 . A A . 11 GLY H 1 1 12 3856 1 1 12 GLY HA2 H 0.704 -1.971 2.952 1.00 . A A . 11 GLY HA2 1 1 12 3857 1 1 12 GLY HA3 H -0.453 -2.791 1.860 1.00 . A A . 11 GLY HA3 1 1 12 3858 1 1 12 GLY N N -0.321 -0.713 1.637 1.00 . A A . 11 GLY N 1 1 12 3859 1 1 12 GLY O O 2.274 -3.302 1.340 1.00 . A A . 11 GLY O 1 1 12 3860 1 1 13 LYS C C 2.798 -0.829 -2.129 1.00 . A A . 12 LYS C 1 1 12 3861 1 1 13 LYS CA C 2.518 -2.137 -1.297 1.00 . A A . 12 LYS CA 1 1 12 3862 1 1 13 LYS CB C 2.226 -3.427 -2.116 1.00 . A A . 12 LYS CB 1 1 12 3863 1 1 13 LYS CD C 3.132 -5.300 -3.642 1.00 . A A . 12 LYS CD 1 1 12 3864 1 1 13 LYS CE C 4.323 -5.883 -4.430 1.00 . A A . 12 LYS CE 1 1 12 3865 1 1 13 LYS CG C 3.431 -3.974 -2.911 1.00 . A A . 12 LYS CG 1 1 12 3866 1 1 13 LYS H H 0.618 -1.384 -0.463 1.00 . A A . 12 LYS H 1 1 12 3867 1 1 13 LYS HA H 3.463 -2.245 -0.736 1.00 . A A . 12 LYS HA 1 1 12 3868 1 1 13 LYS HB2 H 1.887 -4.229 -1.432 1.00 . A A . 12 LYS HB2 1 1 12 3869 1 1 13 LYS HB3 H 1.373 -3.250 -2.799 1.00 . A A . 12 LYS HB3 1 1 12 3870 1 1 13 LYS HD2 H 2.814 -6.052 -2.896 1.00 . A A . 12 LYS HD2 1 1 12 3871 1 1 13 LYS HD3 H 2.261 -5.176 -4.315 1.00 . A A . 12 LYS HD3 1 1 12 3872 1 1 13 LYS HE2 H 5.213 -5.969 -3.780 1.00 . A A . 12 LYS HE2 1 1 12 3873 1 1 13 LYS HE3 H 4.081 -6.916 -4.742 1.00 . A A . 12 LYS HE3 1 1 12 3874 1 1 13 LYS HG2 H 3.757 -3.223 -3.653 1.00 . A A . 12 LYS HG2 1 1 12 3875 1 1 13 LYS HG3 H 4.290 -4.117 -2.228 1.00 . A A . 12 LYS HG3 1 1 12 3876 1 1 13 LYS HZ1 H 3.873 -5.088 -6.284 1.00 . A A . 12 LYS HZ1 1 1 12 3877 1 1 13 LYS HZ3 H 5.432 -5.560 -6.144 1.00 . A A . 12 LYS HZ3 1 1 12 3878 1 1 13 LYS N N 1.474 -1.913 -0.269 1.00 . A A . 12 LYS N 1 1 12 3879 1 1 13 LYS NZ N 4.668 -5.102 -5.635 1.00 . A A . 12 LYS NZ 1 1 12 3880 1 1 13 LYS O O 2.879 -0.830 -3.360 1.00 . A A . 12 LYS O 1 1 12 3881 1 1 14 ASP C C 4.344 2.116 -0.896 1.00 . A A . 13 ASP C 1 1 12 3882 1 1 14 ASP CA C 3.313 1.640 -1.906 1.00 . A A . 13 ASP CA 1 1 12 3883 1 1 14 ASP CB C 2.111 2.564 -2.099 1.00 . A A . 13 ASP CB 1 1 12 3884 1 1 14 ASP CG C 2.359 3.788 -2.984 1.00 . A A . 13 ASP CG 1 1 12 3885 1 1 14 ASP H H 2.583 0.244 -0.449 1.00 . A A . 13 ASP H 1 1 12 3886 1 1 14 ASP HA H 3.885 1.536 -2.813 1.00 . A A . 13 ASP HA 1 1 12 3887 1 1 14 ASP HB2 H 1.275 1.973 -2.477 1.00 . A A . 13 ASP HB2 1 1 12 3888 1 1 14 ASP HB3 H 1.783 2.884 -1.110 1.00 . A A . 13 ASP HB3 1 1 12 3889 1 1 14 ASP HD2 H 2.089 2.558 -4.468 1.00 . A A . 13 ASP HD2 1 1 12 3890 1 1 14 ASP N N 2.981 0.287 -1.396 1.00 . A A . 13 ASP N 1 1 12 3891 1 1 14 ASP O O 5.469 2.399 -1.312 1.00 . A A . 13 ASP O 1 1 12 3892 1 1 14 ASP OD1 O 2.600 4.909 -2.537 1.00 . A A . 13 ASP OD1 1 1 12 3893 1 1 14 ASP OD2 O 2.285 3.486 -4.320 1.00 . A A . 13 ASP OD2 1 1 12 3894 1 1 15 VAL C C 5.265 1.439 2.338 1.00 . A A . 14 VAL C 1 1 12 3895 1 1 15 VAL CA C 4.932 2.683 1.434 1.00 . A A . 14 VAL CA 1 1 12 3896 1 1 15 VAL CB C 4.617 3.987 2.172 1.00 . A A . 14 VAL CB 1 1 12 3897 1 1 15 VAL CG1 C 4.576 5.152 1.177 1.00 . A A . 14 VAL CG1 1 1 12 3898 1 1 15 VAL CG2 C 3.332 3.912 3.017 1.00 . A A . 14 VAL CG2 1 1 12 3899 1 1 15 VAL H H 3.041 1.919 0.613 1.00 . A A . 14 VAL H 1 1 12 3900 1 1 15 VAL HA H 5.892 2.845 0.914 1.00 . A A . 14 VAL HA 1 1 12 3901 1 1 15 VAL HB H 5.498 4.146 2.814 1.00 . A A . 14 VAL HB 1 1 12 3902 1 1 15 VAL HG11 H 3.755 5.019 0.445 1.00 . A A . 14 VAL HG11 1 1 12 3903 1 1 15 VAL HG12 H 4.447 6.115 1.688 1.00 . A A . 14 VAL HG12 1 1 12 3904 1 1 15 VAL HG13 H 5.521 5.177 0.604 1.00 . A A . 14 VAL HG13 1 1 12 3905 1 1 15 VAL HG21 H 3.391 3.097 3.760 1.00 . A A . 14 VAL HG21 1 1 12 3906 1 1 15 VAL HG22 H 3.154 4.852 3.562 1.00 . A A . 14 VAL HG22 1 1 12 3907 1 1 15 VAL HG23 H 2.451 3.703 2.380 1.00 . A A . 14 VAL HG23 1 1 12 3908 1 1 15 VAL N N 3.950 2.310 0.382 1.00 . A A . 14 VAL N 1 1 12 3909 1 1 15 VAL O O 5.276 1.395 3.570 1.00 . A A . 14 VAL O 1 1 12 3910 1 1 16 TYR C C 6.929 -1.224 0.576 1.00 . A A . 15 TYR C 1 1 12 3911 1 1 16 TYR CA C 6.037 -0.907 1.818 1.00 . A A . 15 TYR CA 1 1 12 3912 1 1 16 TYR CB C 4.919 -1.925 2.109 1.00 . A A . 15 TYR CB 1 1 12 3913 1 1 16 TYR CD1 C 6.055 -3.684 3.556 1.00 . A A . 15 TYR CD1 1 1 12 3914 1 1 16 TYR CD2 C 5.470 -4.274 1.287 1.00 . A A . 15 TYR CD2 1 1 12 3915 1 1 16 TYR CE1 C 6.676 -4.919 3.717 1.00 . A A . 15 TYR CE1 1 1 12 3916 1 1 16 TYR CE2 C 6.094 -5.508 1.449 1.00 . A A . 15 TYR CE2 1 1 12 3917 1 1 16 TYR CG C 5.449 -3.351 2.340 1.00 . A A . 15 TYR CG 1 1 12 3918 1 1 16 TYR CZ C 6.696 -5.832 2.664 1.00 . A A . 15 TYR CZ 1 1 12 3919 1 1 16 TYR H H 5.168 0.728 0.609 1.00 . A A . 15 TYR H 1 1 12 3920 1 1 16 TYR HA H 6.691 -0.817 2.694 1.00 . A A . 15 TYR HA 1 1 12 3921 1 1 16 TYR HB2 H 4.328 -1.597 2.985 1.00 . A A . 15 TYR HB2 1 1 12 3922 1 1 16 TYR HB3 H 4.215 -1.897 1.266 1.00 . A A . 15 TYR HB3 1 1 12 3923 1 1 16 TYR HD1 H 6.095 -2.962 4.359 1.00 . A A . 15 TYR HD1 1 1 12 3924 1 1 16 TYR HD2 H 5.056 -4.017 0.320 1.00 . A A . 15 TYR HD2 1 1 12 3925 1 1 16 TYR HE1 H 7.165 -5.145 4.653 1.00 . A A . 15 TYR HE1 1 1 12 3926 1 1 16 TYR HE2 H 6.132 -6.195 0.617 1.00 . A A . 15 TYR HE2 1 1 12 3927 1 1 16 TYR HH H 7.263 -7.533 1.992 1.00 . A A . 15 TYR HH 1 1 12 3928 1 1 16 TYR N N 5.590 0.453 1.527 1.00 . A A . 15 TYR N 1 1 12 3929 1 1 16 TYR O O 8.016 -1.766 0.779 1.00 . A A . 15 TYR O 1 1 12 3930 1 1 16 TYR OH O 7.337 -7.037 2.811 1.00 . A A . 15 TYR OH 1 1 12 3931 1 1 17 ASP C C 8.399 -0.087 -1.952 1.00 . A A . 16 ASP C 1 1 12 3932 1 1 17 ASP CA C 7.301 -1.189 -1.894 1.00 . A A . 16 ASP CA 1 1 12 3933 1 1 17 ASP CB C 6.438 -1.359 -3.152 1.00 . A A . 16 ASP CB 1 1 12 3934 1 1 17 ASP CG C 7.178 -1.890 -4.385 1.00 . A A . 16 ASP CG 1 1 12 3935 1 1 17 ASP H H 5.625 -0.389 -0.701 1.00 . A A . 16 ASP H 1 1 12 3936 1 1 17 ASP HA H 7.837 -2.109 -1.721 1.00 . A A . 16 ASP HA 1 1 12 3937 1 1 17 ASP HB2 H 5.583 -2.027 -2.945 1.00 . A A . 16 ASP HB2 1 1 12 3938 1 1 17 ASP HB3 H 6.003 -0.384 -3.374 1.00 . A A . 16 ASP HB3 1 1 12 3939 1 1 17 ASP HD2 H 7.750 -3.587 -5.150 1.00 . A A . 16 ASP HD2 1 1 12 3940 1 1 17 ASP N N 6.471 -0.976 -0.687 1.00 . A A . 16 ASP N 1 1 12 3941 1 1 17 ASP O O 9.551 -0.434 -2.231 1.00 . A A . 16 ASP O 1 1 12 3942 1 1 17 ASP OD1 O 7.624 -1.164 -5.273 1.00 . A A . 16 ASP OD1 1 1 12 3943 1 1 17 ASP OD2 O 7.285 -3.258 -4.377 1.00 . A A . 16 ASP OD2 1 1 12 3944 1 1 18 LYS C C 9.935 2.235 -0.335 1.00 . A A . 17 LYS C 1 1 12 3945 1 1 18 LYS CA C 9.094 2.285 -1.681 1.00 . A A . 17 LYS CA 1 1 12 3946 1 1 18 LYS CB C 8.463 3.675 -1.953 1.00 . A A . 17 LYS CB 1 1 12 3947 1 1 18 LYS CD C 7.477 5.265 -3.807 1.00 . A A . 17 LYS CD 1 1 12 3948 1 1 18 LYS CE C 6.014 5.581 -3.434 1.00 . A A . 17 LYS CE 1 1 12 3949 1 1 18 LYS CG C 8.001 3.864 -3.421 1.00 . A A . 17 LYS CG 1 1 12 3950 1 1 18 LYS H H 7.153 1.390 -1.275 1.00 . A A . 17 LYS H 1 1 12 3951 1 1 18 LYS HA H 9.790 2.080 -2.501 1.00 . A A . 17 LYS HA 1 1 12 3952 1 1 18 LYS HB2 H 7.631 3.858 -1.248 1.00 . A A . 17 LYS HB2 1 1 12 3953 1 1 18 LYS HB3 H 9.211 4.457 -1.726 1.00 . A A . 17 LYS HB3 1 1 12 3954 1 1 18 LYS HD2 H 8.162 6.054 -3.439 1.00 . A A . 17 LYS HD2 1 1 12 3955 1 1 18 LYS HD3 H 7.545 5.340 -4.908 1.00 . A A . 17 LYS HD3 1 1 12 3956 1 1 18 LYS HE2 H 5.655 6.421 -4.056 1.00 . A A . 17 LYS HE2 1 1 12 3957 1 1 18 LYS HE3 H 5.354 4.728 -3.677 1.00 . A A . 17 LYS HE3 1 1 12 3958 1 1 18 LYS HG2 H 8.861 3.642 -4.080 1.00 . A A . 17 LYS HG2 1 1 12 3959 1 1 18 LYS HG3 H 7.242 3.103 -3.684 1.00 . A A . 17 LYS HG3 1 1 12 3960 1 1 18 LYS HZ1 H 4.862 6.202 -1.840 1.00 . A A . 17 LYS HZ1 1 1 12 3961 1 1 18 LYS HZ3 H 6.383 6.798 -1.810 1.00 . A A . 17 LYS HZ3 1 1 12 3962 1 1 18 LYS N N 8.068 1.211 -1.716 1.00 . A A . 17 LYS N 1 1 12 3963 1 1 18 LYS NZ N 5.841 5.953 -2.021 1.00 . A A . 17 LYS NZ 1 1 12 3964 1 1 18 LYS O O 10.963 2.908 -0.234 1.00 . A A . 17 LYS O 1 1 12 3965 1 1 19 VAL C C 11.214 0.072 1.840 1.00 . A A . 18 VAL C 1 1 12 3966 1 1 19 VAL CA C 10.162 1.205 1.977 1.00 . A A . 18 VAL CA 1 1 12 3967 1 1 19 VAL CB C 9.137 1.075 3.152 1.00 . A A . 18 VAL CB 1 1 12 3968 1 1 19 VAL CG1 C 9.681 0.500 4.464 1.00 . A A . 18 VAL CG1 1 1 12 3969 1 1 19 VAL CG2 C 8.385 2.387 3.447 1.00 . A A . 18 VAL CG2 1 1 12 3970 1 1 19 VAL H H 8.755 0.803 0.338 1.00 . A A . 18 VAL H 1 1 12 3971 1 1 19 VAL HA H 10.737 2.088 2.156 1.00 . A A . 18 VAL HA 1 1 12 3972 1 1 19 VAL HB H 8.392 0.343 2.872 1.00 . A A . 18 VAL HB 1 1 12 3973 1 1 19 VAL HG11 H 10.071 -0.522 4.300 1.00 . A A . 18 VAL HG11 1 1 12 3974 1 1 19 VAL HG12 H 10.486 1.126 4.880 1.00 . A A . 18 VAL HG12 1 1 12 3975 1 1 19 VAL HG13 H 8.872 0.403 5.212 1.00 . A A . 18 VAL HG13 1 1 12 3976 1 1 19 VAL HG21 H 9.066 3.189 3.776 1.00 . A A . 18 VAL HG21 1 1 12 3977 1 1 19 VAL HG22 H 7.624 2.243 4.237 1.00 . A A . 18 VAL HG22 1 1 12 3978 1 1 19 VAL HG23 H 7.843 2.743 2.553 1.00 . A A . 18 VAL HG23 1 1 12 3979 1 1 19 VAL N N 9.494 1.429 0.671 1.00 . A A . 18 VAL N 1 1 12 3980 1 1 19 VAL O O 12.376 0.284 2.201 1.00 . A A . 18 VAL O 1 1 12 3981 1 1 20 LYS C C 12.843 -1.982 0.019 1.00 . A A . 19 LYS C 1 1 12 3982 1 1 20 LYS CA C 11.733 -2.258 1.107 1.00 . A A . 19 LYS CA 1 1 12 3983 1 1 20 LYS CB C 10.834 -3.474 0.746 1.00 . A A . 19 LYS CB 1 1 12 3984 1 1 20 LYS CD C 10.510 -6.014 0.597 1.00 . A A . 19 LYS CD 1 1 12 3985 1 1 20 LYS CE C 11.166 -7.402 0.703 1.00 . A A . 19 LYS CE 1 1 12 3986 1 1 20 LYS CG C 11.508 -4.861 0.828 1.00 . A A . 19 LYS CG 1 1 12 3987 1 1 20 LYS H H 9.833 -1.162 1.058 1.00 . A A . 19 LYS H 1 1 12 3988 1 1 20 LYS HA H 12.220 -2.468 2.071 1.00 . A A . 19 LYS HA 1 1 12 3989 1 1 20 LYS HB2 H 9.963 -3.500 1.431 1.00 . A A . 19 LYS HB2 1 1 12 3990 1 1 20 LYS HB3 H 10.403 -3.327 -0.264 1.00 . A A . 19 LYS HB3 1 1 12 3991 1 1 20 LYS HD2 H 9.685 -5.937 1.333 1.00 . A A . 19 LYS HD2 1 1 12 3992 1 1 20 LYS HD3 H 10.039 -5.898 -0.398 1.00 . A A . 19 LYS HD3 1 1 12 3993 1 1 20 LYS HE2 H 11.977 -7.505 -0.042 1.00 . A A . 19 LYS HE2 1 1 12 3994 1 1 20 LYS HE3 H 11.636 -7.534 1.695 1.00 . A A . 19 LYS HE3 1 1 12 3995 1 1 20 LYS HG2 H 12.326 -4.926 0.087 1.00 . A A . 19 LYS HG2 1 1 12 3996 1 1 20 LYS HG3 H 11.986 -4.979 1.819 1.00 . A A . 19 LYS HG3 1 1 12 3997 1 1 20 LYS HZ1 H 9.422 -8.400 1.178 1.00 . A A . 19 LYS HZ1 1 1 12 3998 1 1 20 LYS HZ3 H 9.736 -8.374 -0.426 1.00 . A A . 19 LYS HZ3 1 1 12 3999 1 1 20 LYS N N 10.814 -1.115 1.344 1.00 . A A . 19 LYS N 1 1 12 4000 1 1 20 LYS NZ N 10.181 -8.479 0.493 1.00 . A A . 19 LYS NZ 1 1 12 4001 1 1 20 LYS O O 13.811 -2.742 -0.065 1.00 . A A . 19 LYS O 1 1 12 4002 1 1 21 GLU C C 14.744 0.464 -1.237 1.00 . A A . 20 GLU C 1 1 12 4003 1 1 21 GLU CA C 13.664 -0.476 -1.818 1.00 . A A . 20 GLU CA 1 1 12 4004 1 1 21 GLU CB C 12.863 0.064 -3.019 1.00 . A A . 20 GLU CB 1 1 12 4005 1 1 21 GLU CD C 12.812 0.886 -5.438 1.00 . A A . 20 GLU CD 1 1 12 4006 1 1 21 GLU CG C 13.683 0.384 -4.285 1.00 . A A . 20 GLU CG 1 1 12 4007 1 1 21 GLU H H 12.029 -0.208 -0.446 1.00 . A A . 20 GLU H 1 1 12 4008 1 1 21 GLU HA H 14.167 -1.356 -2.150 1.00 . A A . 20 GLU HA 1 1 12 4009 1 1 21 GLU HB2 H 12.061 -0.654 -3.274 1.00 . A A . 20 GLU HB2 1 1 12 4010 1 1 21 GLU HB3 H 12.347 0.967 -2.682 1.00 . A A . 20 GLU HB3 1 1 12 4011 1 1 21 GLU HE2 H 12.611 -0.999 -5.884 1.00 . A A . 20 GLU HE2 1 1 12 4012 1 1 21 GLU HG2 H 14.441 1.156 -4.053 1.00 . A A . 20 GLU HG2 1 1 12 4013 1 1 21 GLU HG3 H 14.249 -0.509 -4.606 1.00 . A A . 20 GLU HG3 1 1 12 4014 1 1 21 GLU N N 12.702 -0.901 -0.787 1.00 . A A . 20 GLU N 1 1 12 4015 1 1 21 GLU O O 15.928 0.131 -1.198 1.00 . A A . 20 GLU O 1 1 12 4016 1 1 21 GLU OE1 O 12.583 2.077 -5.646 1.00 . A A . 20 GLU OE1 1 1 12 4017 1 1 21 GLU OE2 O 12.322 -0.141 -6.204 1.00 . A A . 20 GLU OE2 1 1 12 4018 1 1 22 NH2 HN1 H 14.304 1.373 0.316 1.00 . A A . 21 NH2 HN1 1 1 12 4019 1 1 22 NH2 HN2 H 13.522 1.969 -1.158 1.00 . A A . 21 NH2 HN2 1 1 12 4020 1 1 22 NH2 N N 14.350 1.592 -0.681 1.00 . A A . 21 NH2 N 1 1 13 4021 1 1 2 GLU C C -13.146 -2.772 -1.853 1.00 . A A . 1 ACE C 1 1 13 4022 1 1 2 GLU CA C -14.133 -0.593 -1.071 1.00 . A A . 1 ACE CA 1 1 13 4023 1 1 2 GLU CB C -15.377 -0.338 -0.151 1.00 . A A . 1 ACE CB 1 1 13 4024 1 1 2 GLU CD C -16.940 -2.426 -0.285 1.00 . A A . 1 ACE CD 1 1 13 4025 1 1 2 GLU CG C -16.738 -0.934 -0.570 1.00 . A A . 1 ACE CG 1 1 13 4026 1 1 2 GLU H H -14.449 -2.617 -0.394 1.00 . A A . 1 ACE H 1 1 13 4027 1 1 2 GLU HA H -14.495 -0.388 -2.094 1.00 . A A . 1 ACE HA 1 1 13 4028 1 1 2 GLU HB2 H -15.134 -0.577 0.901 1.00 . A A . 1 ACE HB2 1 1 13 4029 1 1 2 GLU HB3 H -15.570 0.745 -0.129 1.00 . A A . 1 ACE HB3 1 1 13 4030 1 1 2 GLU HE2 H -17.183 -1.867 1.564 1.00 . A A . 1 ACE HE2 1 1 13 4031 1 1 2 GLU HG2 H -17.532 -0.369 -0.047 1.00 . A A . 1 ACE HG2 1 1 13 4032 1 1 2 GLU HG3 H -16.904 -0.728 -1.644 1.00 . A A . 1 ACE HG3 1 1 13 4033 1 1 2 GLU N N -13.798 -2.037 -0.931 1.00 . A A . 1 ACE N 1 1 13 4034 1 1 2 GLU O O -13.081 -3.986 -1.668 1.00 . A A . 1 ACE O 1 1 13 4035 1 1 2 GLU OE1 O -16.889 -3.295 -1.155 1.00 . A A . 1 ACE OE1 1 1 13 4036 1 1 2 GLU OE2 O -17.182 -2.673 1.042 1.00 . A A . 1 ACE OE2 1 1 13 4037 1 1 3 SER C C -11.081 2.152 0.990 1.00 . A A . 2 SER C 1 1 13 4038 1 1 3 SER CA C -12.143 2.618 -0.025 1.00 . A A . 2 SER CA 1 1 13 4039 1 1 3 SER CB C -12.842 3.900 0.438 1.00 . A A . 2 SER CB 1 1 13 4040 1 1 3 SER H H -14.180 1.806 -0.340 1.00 . A A . 2 SER H 1 1 13 4041 1 1 3 SER HA H -11.641 2.886 -0.955 1.00 . A A . 2 SER HA 1 1 13 4042 1 1 3 SER HB2 H -13.741 4.106 -0.161 1.00 . A A . 2 SER HB2 1 1 13 4043 1 1 3 SER HB3 H -13.204 3.750 1.457 1.00 . A A . 2 SER HB3 1 1 13 4044 1 1 3 SER HG H -11.703 5.116 -0.523 1.00 . A A . 2 SER HG 1 1 13 4045 1 1 3 SER N N -13.179 1.596 -0.352 1.00 . A A . 2 SER N 1 1 13 4046 1 1 3 SER O O -9.889 2.374 0.779 1.00 . A A . 2 SER O 1 1 13 4047 1 1 3 SER OG O -11.965 5.020 0.396 1.00 . A A . 2 SER OG 1 1 13 4048 1 1 4 ALA C C -9.937 -0.419 2.832 1.00 . A A . 3 ALA C 1 1 13 4049 1 1 4 ALA CA C -10.642 0.951 3.120 1.00 . A A . 3 ALA CA 1 1 13 4050 1 1 4 ALA CB C -11.395 0.930 4.448 1.00 . A A . 3 ALA CB 1 1 13 4051 1 1 4 ALA H H -12.570 1.518 2.099 1.00 . A A . 3 ALA H 1 1 13 4052 1 1 4 ALA HA H -9.790 1.641 3.147 1.00 . A A . 3 ALA HA 1 1 13 4053 1 1 4 ALA HB1 H -12.233 0.208 4.406 1.00 . A A . 3 ALA HB1 1 1 13 4054 1 1 4 ALA HB2 H -11.806 1.925 4.692 1.00 . A A . 3 ALA HB2 1 1 13 4055 1 1 4 ALA HB3 H -10.726 0.627 5.272 1.00 . A A . 3 ALA HB3 1 1 13 4056 1 1 4 ALA N N -11.546 1.519 2.081 1.00 . A A . 3 ALA N 1 1 13 4057 1 1 4 ALA O O -9.349 -1.069 3.701 1.00 . A A . 3 ALA O 1 1 13 4058 1 1 5 LYS C C -8.958 -1.659 -0.566 1.00 . A A . 4 LYS C 1 1 13 4059 1 1 5 LYS CA C -9.455 -1.980 0.906 1.00 . A A . 4 LYS CA 1 1 13 4060 1 1 5 LYS CB C -10.414 -3.196 0.931 1.00 . A A . 4 LYS CB 1 1 13 4061 1 1 5 LYS CD C -11.622 -5.063 2.219 1.00 . A A . 4 LYS CD 1 1 13 4062 1 1 5 LYS CE C -11.907 -5.761 3.564 1.00 . A A . 4 LYS CE 1 1 13 4063 1 1 5 LYS CG C -10.692 -3.834 2.309 1.00 . A A . 4 LYS CG 1 1 13 4064 1 1 5 LYS H H -10.616 -0.121 1.074 1.00 . A A . 4 LYS H 1 1 13 4065 1 1 5 LYS HA H -8.513 -2.144 1.451 1.00 . A A . 4 LYS HA 1 1 13 4066 1 1 5 LYS HB2 H -11.365 -2.888 0.458 1.00 . A A . 4 LYS HB2 1 1 13 4067 1 1 5 LYS HB3 H -9.998 -3.978 0.271 1.00 . A A . 4 LYS HB3 1 1 13 4068 1 1 5 LYS HD2 H -12.577 -4.783 1.732 1.00 . A A . 4 LYS HD2 1 1 13 4069 1 1 5 LYS HD3 H -11.161 -5.806 1.541 1.00 . A A . 4 LYS HD3 1 1 13 4070 1 1 5 LYS HE2 H -12.401 -6.731 3.372 1.00 . A A . 4 LYS HE2 1 1 13 4071 1 1 5 LYS HE3 H -10.961 -6.006 4.081 1.00 . A A . 4 LYS HE3 1 1 13 4072 1 1 5 LYS HG2 H -9.734 -4.124 2.781 1.00 . A A . 4 LYS HG2 1 1 13 4073 1 1 5 LYS HG3 H -11.146 -3.082 2.981 1.00 . A A . 4 LYS HG3 1 1 13 4074 1 1 5 LYS HZ1 H -12.333 -4.063 4.661 1.00 . A A . 4 LYS HZ1 1 1 13 4075 1 1 5 LYS HZ3 H -13.658 -4.753 3.997 1.00 . A A . 4 LYS HZ3 1 1 13 4076 1 1 5 LYS N N -10.040 -0.797 1.567 1.00 . A A . 4 LYS N 1 1 13 4077 1 1 5 LYS NZ N -12.770 -4.970 4.463 1.00 . A A . 4 LYS NZ 1 1 13 4078 1 1 5 LYS O O -8.779 -2.543 -1.408 1.00 . A A . 4 LYS O 1 1 13 4079 1 1 6 HIS C C -7.087 1.203 -1.601 1.00 . A A . 5 HIS C 1 1 13 4080 1 1 6 HIS CA C -8.227 0.254 -2.069 1.00 . A A . 5 HIS CA 1 1 13 4081 1 1 6 HIS CB C -9.331 0.900 -2.934 1.00 . A A . 5 HIS CB 1 1 13 4082 1 1 6 HIS CD2 C -8.482 0.357 -5.321 1.00 . A A . 5 HIS CD2 1 1 13 4083 1 1 6 HIS CE1 C -8.210 2.314 -6.037 1.00 . A A . 5 HIS CE1 1 1 13 4084 1 1 6 HIS CG C -8.824 1.280 -4.319 1.00 . A A . 5 HIS CG 1 1 13 4085 1 1 6 HIS H H -9.294 0.191 -0.164 1.00 . A A . 5 HIS H 1 1 13 4086 1 1 6 HIS HA H -7.711 -0.535 -2.623 1.00 . A A . 5 HIS HA 1 1 13 4087 1 1 6 HIS HB2 H -10.171 0.193 -3.061 1.00 . A A . 5 HIS HB2 1 1 13 4088 1 1 6 HIS HB3 H -9.767 1.777 -2.417 1.00 . A A . 5 HIS HB3 1 1 13 4089 1 1 6 HIS HD2 H -8.532 -0.718 -5.224 1.00 . A A . 5 HIS HD2 1 1 13 4090 1 1 6 HIS HE1 H -7.963 3.126 -6.705 1.00 . A A . 5 HIS HE1 1 1 13 4091 1 1 6 HIS HE2 H -7.771 0.649 -7.368 1.00 . A A . 5 HIS HE2 1 1 13 4092 1 1 6 HIS N N -8.744 -0.362 -0.829 1.00 . A A . 5 HIS N 1 1 13 4093 1 1 6 HIS ND1 N -8.647 2.586 -4.763 1.00 . A A . 5 HIS ND1 1 1 13 4094 1 1 6 HIS NE2 N -8.083 1.020 -6.463 1.00 . A A . 5 HIS NE2 1 1 13 4095 1 1 6 HIS O O -6.002 1.153 -2.184 1.00 . A A . 5 HIS O 1 1 13 4096 1 1 7 MET C C -5.362 2.047 0.803 1.00 . A A . 6 MET C 1 1 13 4097 1 1 7 MET CA C -6.289 2.977 -0.014 1.00 . A A . 6 MET CA 1 1 13 4098 1 1 7 MET CB C -6.867 4.161 0.806 1.00 . A A . 6 MET CB 1 1 13 4099 1 1 7 MET CE C -6.741 7.225 -0.837 1.00 . A A . 6 MET CE 1 1 13 4100 1 1 7 MET CG C -8.020 4.924 0.128 1.00 . A A . 6 MET CG 1 1 13 4101 1 1 7 MET H H -8.169 1.943 -0.054 1.00 . A A . 6 MET H 1 1 13 4102 1 1 7 MET HA H -5.671 3.341 -0.838 1.00 . A A . 6 MET HA 1 1 13 4103 1 1 7 MET HB2 H -7.217 3.816 1.798 1.00 . A A . 6 MET HB2 1 1 13 4104 1 1 7 MET HB3 H -6.044 4.865 1.026 1.00 . A A . 6 MET HB3 1 1 13 4105 1 1 7 MET HE1 H -5.768 6.716 -0.717 1.00 . A A . 6 MET HE1 1 1 13 4106 1 1 7 MET HE2 H -6.566 8.315 -0.781 1.00 . A A . 6 MET HE2 1 1 13 4107 1 1 7 MET HE3 H -7.131 6.993 -1.845 1.00 . A A . 6 MET HE3 1 1 13 4108 1 1 7 MET HG2 H -8.048 4.706 -0.955 1.00 . A A . 6 MET HG2 1 1 13 4109 1 1 7 MET HG3 H -8.989 4.560 0.516 1.00 . A A . 6 MET HG3 1 1 13 4110 1 1 7 MET N N -7.316 2.084 -0.592 1.00 . A A . 6 MET N 1 1 13 4111 1 1 7 MET O O -4.163 2.098 0.564 1.00 . A A . 6 MET O 1 1 13 4112 1 1 7 MET SD S -7.907 6.706 0.440 1.00 . A A . 6 MET SD 1 1 13 4113 1 1 8 PHE C C -4.379 -0.823 1.563 1.00 . A A . 7 PHE C 1 1 13 4114 1 1 8 PHE CA C -5.095 0.211 2.488 1.00 . A A . 7 PHE CA 1 1 13 4115 1 1 8 PHE CB C -6.034 -0.491 3.494 1.00 . A A . 7 PHE CB 1 1 13 4116 1 1 8 PHE CD1 C -7.172 1.213 4.994 1.00 . A A . 7 PHE CD1 1 1 13 4117 1 1 8 PHE CD2 C -5.315 -0.048 5.887 1.00 . A A . 7 PHE CD2 1 1 13 4118 1 1 8 PHE CE1 C -7.289 1.897 6.198 1.00 . A A . 7 PHE CE1 1 1 13 4119 1 1 8 PHE CE2 C -5.432 0.639 7.092 1.00 . A A . 7 PHE CE2 1 1 13 4120 1 1 8 PHE CG C -6.184 0.237 4.831 1.00 . A A . 7 PHE CG 1 1 13 4121 1 1 8 PHE CZ C -6.419 1.611 7.249 1.00 . A A . 7 PHE CZ 1 1 13 4122 1 1 8 PHE H H -6.903 1.087 1.659 1.00 . A A . 7 PHE H 1 1 13 4123 1 1 8 PHE HA H -4.319 0.775 3.011 1.00 . A A . 7 PHE HA 1 1 13 4124 1 1 8 PHE HB2 H -7.014 -0.580 3.016 1.00 . A A . 7 PHE HB2 1 1 13 4125 1 1 8 PHE HB3 H -5.751 -1.548 3.660 1.00 . A A . 7 PHE HB3 1 1 13 4126 1 1 8 PHE HD1 H -7.843 1.457 4.183 1.00 . A A . 7 PHE HD1 1 1 13 4127 1 1 8 PHE HD2 H -4.539 -0.793 5.776 1.00 . A A . 7 PHE HD2 1 1 13 4128 1 1 8 PHE HE1 H -8.053 2.652 6.292 1.00 . A A . 7 PHE HE1 1 1 13 4129 1 1 8 PHE HE2 H -4.744 0.411 7.889 1.00 . A A . 7 PHE HE2 1 1 13 4130 1 1 8 PHE HZ H -6.506 2.146 8.184 1.00 . A A . 7 PHE HZ 1 1 13 4131 1 1 8 PHE N N -5.889 1.193 1.711 1.00 . A A . 7 PHE N 1 1 13 4132 1 1 8 PHE O O -3.283 -1.271 1.905 1.00 . A A . 7 PHE O 1 1 13 4133 1 1 9 ASP C C -3.127 -1.455 -1.197 1.00 . A A . 8 ASP C 1 1 13 4134 1 1 9 ASP CA C -4.392 -2.129 -0.583 1.00 . A A . 8 ASP CA 1 1 13 4135 1 1 9 ASP CB C -5.435 -2.467 -1.674 1.00 . A A . 8 ASP CB 1 1 13 4136 1 1 9 ASP CG C -5.058 -3.628 -2.603 1.00 . A A . 8 ASP CG 1 1 13 4137 1 1 9 ASP H H -5.994 -0.924 0.426 1.00 . A A . 8 ASP H 1 1 13 4138 1 1 9 ASP HA H -4.148 -3.083 -0.075 1.00 . A A . 8 ASP HA 1 1 13 4139 1 1 9 ASP HB2 H -6.382 -2.709 -1.181 1.00 . A A . 8 ASP HB2 1 1 13 4140 1 1 9 ASP HB3 H -5.663 -1.577 -2.288 1.00 . A A . 8 ASP HB3 1 1 13 4141 1 1 9 ASP HD2 H -5.148 -5.572 -2.653 1.00 . A A . 8 ASP HD2 1 1 13 4142 1 1 9 ASP N N -5.000 -1.199 0.416 1.00 . A A . 8 ASP N 1 1 13 4143 1 1 9 ASP O O -2.062 -2.078 -1.228 1.00 . A A . 8 ASP O 1 1 13 4144 1 1 9 ASP OD1 O -4.521 -3.471 -3.698 1.00 . A A . 8 ASP OD1 1 1 13 4145 1 1 9 ASP OD2 O -5.386 -4.849 -2.069 1.00 . A A . 8 ASP OD2 1 1 13 4146 1 1 10 ARG C C -1.102 0.883 -1.114 1.00 . A A . 9 ARG C 1 1 13 4147 1 1 10 ARG CA C -2.147 0.607 -2.219 1.00 . A A . 9 ARG CA 1 1 13 4148 1 1 10 ARG CB C -2.575 1.914 -2.934 1.00 . A A . 9 ARG CB 1 1 13 4149 1 1 10 ARG CD C -4.245 1.215 -4.833 1.00 . A A . 9 ARG CD 1 1 13 4150 1 1 10 ARG CG C -2.863 1.787 -4.449 1.00 . A A . 9 ARG CG 1 1 13 4151 1 1 10 ARG CZ C -4.663 1.918 -7.216 1.00 . A A . 9 ARG CZ 1 1 13 4152 1 1 10 ARG H H -4.242 0.162 -1.589 1.00 . A A . 9 ARG H 1 1 13 4153 1 1 10 ARG HA H -1.643 -0.047 -2.931 1.00 . A A . 9 ARG HA 1 1 13 4154 1 1 10 ARG HB2 H -3.415 2.406 -2.408 1.00 . A A . 9 ARG HB2 1 1 13 4155 1 1 10 ARG HB3 H -1.743 2.639 -2.847 1.00 . A A . 9 ARG HB3 1 1 13 4156 1 1 10 ARG HD2 H -4.407 0.250 -4.318 1.00 . A A . 9 ARG HD2 1 1 13 4157 1 1 10 ARG HD3 H -5.053 1.881 -4.475 1.00 . A A . 9 ARG HD3 1 1 13 4158 1 1 10 ARG HG2 H -2.769 2.794 -4.897 1.00 . A A . 9 ARG HG2 1 1 13 4159 1 1 10 ARG HG3 H -2.057 1.194 -4.923 1.00 . A A . 9 ARG HG3 1 1 13 4160 1 1 10 ARG HH11 H -4.759 3.478 -5.948 1.00 . A A . 9 ARG HH11 1 1 13 4161 1 1 10 ARG HH12 H -5.053 3.826 -7.726 1.00 . A A . 9 ARG HH12 1 1 13 4162 1 1 10 ARG HH21 H -4.623 0.543 -8.671 1.00 . A A . 9 ARG HH21 1 1 13 4163 1 1 10 ARG HH22 H -4.981 2.275 -9.161 1.00 . A A . 9 ARG HH22 1 1 13 4164 1 1 10 ARG N N -3.273 -0.186 -1.666 1.00 . A A . 9 ARG N 1 1 13 4165 1 1 10 ARG NE N -4.382 0.975 -6.293 1.00 . A A . 9 ARG NE 1 1 13 4166 1 1 10 ARG NH1 N -4.844 3.207 -6.934 1.00 . A A . 9 ARG NH1 1 1 13 4167 1 1 10 ARG NH2 N -4.766 1.541 -8.477 1.00 . A A . 9 ARG NH2 1 1 13 4168 1 1 10 ARG O O 0.041 0.459 -1.271 1.00 . A A . 9 ARG O 1 1 13 4169 1 1 11 ILE C C 0.266 0.571 1.617 1.00 . A A . 10 ILE C 1 1 13 4170 1 1 11 ILE CA C -0.595 1.804 1.180 1.00 . A A . 10 ILE CA 1 1 13 4171 1 1 11 ILE CB C -1.521 2.407 2.281 1.00 . A A . 10 ILE CB 1 1 13 4172 1 1 11 ILE CD1 C -3.184 4.369 2.643 1.00 . A A . 10 ILE CD1 1 1 13 4173 1 1 11 ILE CG1 C -1.955 3.850 1.903 1.00 . A A . 10 ILE CG1 1 1 13 4174 1 1 11 ILE CG2 C -1.006 2.338 3.730 1.00 . A A . 10 ILE CG2 1 1 13 4175 1 1 11 ILE H H -2.490 1.783 0.080 1.00 . A A . 10 ILE H 1 1 13 4176 1 1 11 ILE HA H 0.104 2.581 0.863 1.00 . A A . 10 ILE HA 1 1 13 4177 1 1 11 ILE HB H -2.410 1.773 2.292 1.00 . A A . 10 ILE HB 1 1 13 4178 1 1 11 ILE HD11 H -3.559 5.286 2.159 1.00 . A A . 10 ILE HD11 1 1 13 4179 1 1 11 ILE HD12 H -3.998 3.624 2.621 1.00 . A A . 10 ILE HD12 1 1 13 4180 1 1 11 ILE HD13 H -2.953 4.583 3.698 1.00 . A A . 10 ILE HD13 1 1 13 4181 1 1 11 ILE HG12 H -1.101 4.537 2.003 1.00 . A A . 10 ILE HG12 1 1 13 4182 1 1 11 ILE HG13 H -2.219 3.884 0.832 1.00 . A A . 10 ILE HG13 1 1 13 4183 1 1 11 ILE HG21 H -0.828 1.287 4.024 1.00 . A A . 10 ILE HG21 1 1 13 4184 1 1 11 ILE HG22 H -0.070 2.904 3.854 1.00 . A A . 10 ILE HG22 1 1 13 4185 1 1 11 ILE HG23 H -1.762 2.723 4.437 1.00 . A A . 10 ILE HG23 1 1 13 4186 1 1 11 ILE N N -1.487 1.526 0.005 1.00 . A A . 10 ILE N 1 1 13 4187 1 1 11 ILE O O 1.462 0.708 1.886 1.00 . A A . 10 ILE O 1 1 13 4188 1 1 12 GLY C C 1.432 -2.338 1.069 1.00 . A A . 11 GLY C 1 1 13 4189 1 1 12 GLY CA C 0.258 -1.899 1.985 1.00 . A A . 11 GLY CA 1 1 13 4190 1 1 12 GLY H H -1.388 -0.500 1.481 1.00 . A A . 11 GLY H 1 1 13 4191 1 1 12 GLY HA2 H 0.623 -1.824 3.021 1.00 . A A . 11 GLY HA2 1 1 13 4192 1 1 12 GLY HA3 H -0.511 -2.683 1.934 1.00 . A A . 11 GLY HA3 1 1 13 4193 1 1 12 GLY N N -0.385 -0.608 1.661 1.00 . A A . 11 GLY N 1 1 13 4194 1 1 12 GLY O O 2.245 -3.157 1.496 1.00 . A A . 11 GLY O 1 1 13 4195 1 1 13 LYS C C 2.818 -0.821 -2.033 1.00 . A A . 12 LYS C 1 1 13 4196 1 1 13 LYS CA C 2.498 -2.118 -1.199 1.00 . A A . 12 LYS CA 1 1 13 4197 1 1 13 LYS CB C 2.242 -3.373 -2.087 1.00 . A A . 12 LYS CB 1 1 13 4198 1 1 13 LYS CD C 2.020 -5.976 -2.266 1.00 . A A . 12 LYS CD 1 1 13 4199 1 1 13 LYS CE C 3.220 -6.457 -3.110 1.00 . A A . 12 LYS CE 1 1 13 4200 1 1 13 LYS CG C 2.247 -4.740 -1.365 1.00 . A A . 12 LYS CG 1 1 13 4201 1 1 13 LYS H H 0.576 -1.363 -0.423 1.00 . A A . 12 LYS H 1 1 13 4202 1 1 13 LYS HA H 3.438 -2.230 -0.634 1.00 . A A . 12 LYS HA 1 1 13 4203 1 1 13 LYS HB2 H 1.291 -3.249 -2.638 1.00 . A A . 12 LYS HB2 1 1 13 4204 1 1 13 LYS HB3 H 3.025 -3.405 -2.867 1.00 . A A . 12 LYS HB3 1 1 13 4205 1 1 13 LYS HD2 H 1.746 -6.813 -1.597 1.00 . A A . 12 LYS HD2 1 1 13 4206 1 1 13 LYS HD3 H 1.124 -5.833 -2.901 1.00 . A A . 12 LYS HD3 1 1 13 4207 1 1 13 LYS HE2 H 4.144 -6.470 -2.502 1.00 . A A . 12 LYS HE2 1 1 13 4208 1 1 13 LYS HE3 H 3.050 -7.507 -3.410 1.00 . A A . 12 LYS HE3 1 1 13 4209 1 1 13 LYS HG2 H 3.185 -4.865 -0.794 1.00 . A A . 12 LYS HG2 1 1 13 4210 1 1 13 LYS HG3 H 1.446 -4.736 -0.604 1.00 . A A . 12 LYS HG3 1 1 13 4211 1 1 13 LYS HZ1 H 4.220 -6.067 -4.875 1.00 . A A . 12 LYS HZ1 1 1 13 4212 1 1 13 LYS HZ3 H 2.624 -5.724 -4.947 1.00 . A A . 12 LYS HZ3 1 1 13 4213 1 1 13 LYS N N 1.433 -1.873 -0.195 1.00 . A A . 12 LYS N 1 1 13 4214 1 1 13 LYS NZ N 3.445 -5.666 -4.335 1.00 . A A . 12 LYS NZ 1 1 13 4215 1 1 13 LYS O O 2.979 -0.850 -3.257 1.00 . A A . 12 LYS O 1 1 13 4216 1 1 14 ASP C C 4.356 2.141 -0.884 1.00 . A A . 13 ASP C 1 1 13 4217 1 1 14 ASP CA C 3.309 1.653 -1.869 1.00 . A A . 13 ASP CA 1 1 13 4218 1 1 14 ASP CB C 2.121 2.591 -2.078 1.00 . A A . 13 ASP CB 1 1 13 4219 1 1 14 ASP CG C 2.378 3.778 -3.011 1.00 . A A . 13 ASP CG 1 1 13 4220 1 1 14 ASP H H 2.545 0.298 -0.382 1.00 . A A . 13 ASP H 1 1 13 4221 1 1 14 ASP HA H 3.869 1.521 -2.780 1.00 . A A . 13 ASP HA 1 1 13 4222 1 1 14 ASP HB2 H 1.280 2.001 -2.445 1.00 . A A . 13 ASP HB2 1 1 13 4223 1 1 14 ASP HB3 H 1.796 2.939 -1.098 1.00 . A A . 13 ASP HB3 1 1 13 4224 1 1 14 ASP HD2 H 2.997 4.689 -1.406 1.00 . A A . 13 ASP HD2 1 1 13 4225 1 1 14 ASP N N 2.954 0.318 -1.325 1.00 . A A . 13 ASP N 1 1 13 4226 1 1 14 ASP O O 5.479 2.401 -1.321 1.00 . A A . 13 ASP O 1 1 13 4227 1 1 14 ASP OD1 O 2.150 3.751 -4.220 1.00 . A A . 13 ASP OD1 1 1 13 4228 1 1 14 ASP OD2 O 2.889 4.862 -2.344 1.00 . A A . 13 ASP OD2 1 1 13 4229 1 1 15 VAL C C 5.319 1.535 2.354 1.00 . A A . 14 VAL C 1 1 13 4230 1 1 15 VAL CA C 4.984 2.760 1.422 1.00 . A A . 14 VAL CA 1 1 13 4231 1 1 15 VAL CB C 4.701 4.102 2.106 1.00 . A A . 14 VAL CB 1 1 13 4232 1 1 15 VAL CG1 C 4.642 5.221 1.055 1.00 . A A . 14 VAL CG1 1 1 13 4233 1 1 15 VAL CG2 C 3.437 4.074 2.984 1.00 . A A . 14 VAL CG2 1 1 13 4234 1 1 15 VAL H H 3.074 1.982 0.643 1.00 . A A . 14 VAL H 1 1 13 4235 1 1 15 VAL HA H 5.938 2.893 0.886 1.00 . A A . 14 VAL HA 1 1 13 4236 1 1 15 VAL HB H 5.595 4.288 2.724 1.00 . A A . 14 VAL HB 1 1 13 4237 1 1 15 VAL HG11 H 4.578 6.211 1.525 1.00 . A A . 14 VAL HG11 1 1 13 4238 1 1 15 VAL HG12 H 5.544 5.189 0.413 1.00 . A A . 14 VAL HG12 1 1 13 4239 1 1 15 VAL HG13 H 3.771 5.085 0.385 1.00 . A A . 14 VAL HG13 1 1 13 4240 1 1 15 VAL HG21 H 2.540 3.839 2.380 1.00 . A A . 14 VAL HG21 1 1 13 4241 1 1 15 VAL HG22 H 3.276 5.039 3.489 1.00 . A A . 14 VAL HG22 1 1 13 4242 1 1 15 VAL HG23 H 3.511 3.294 3.763 1.00 . A A . 14 VAL HG23 1 1 13 4243 1 1 15 VAL N N 3.980 2.371 0.393 1.00 . A A . 14 VAL N 1 1 13 4244 1 1 15 VAL O O 5.365 1.531 3.586 1.00 . A A . 14 VAL O 1 1 13 4245 1 1 16 TYR C C 6.917 -1.177 0.628 1.00 . A A . 15 TYR C 1 1 13 4246 1 1 16 TYR CA C 6.030 -0.847 1.871 1.00 . A A . 15 TYR CA 1 1 13 4247 1 1 16 TYR CB C 4.898 -1.846 2.165 1.00 . A A . 15 TYR CB 1 1 13 4248 1 1 16 TYR CD1 C 5.971 -3.642 3.615 1.00 . A A . 15 TYR CD1 1 1 13 4249 1 1 16 TYR CD2 C 5.440 -4.188 1.322 1.00 . A A . 15 TYR CD2 1 1 13 4250 1 1 16 TYR CE1 C 6.569 -4.890 3.773 1.00 . A A . 15 TYR CE1 1 1 13 4251 1 1 16 TYR CE2 C 6.039 -5.434 1.481 1.00 . A A . 15 TYR CE2 1 1 13 4252 1 1 16 TYR CG C 5.404 -3.282 2.389 1.00 . A A . 15 TYR CG 1 1 13 4253 1 1 16 TYR CZ C 6.604 -5.787 2.706 1.00 . A A . 15 TYR CZ 1 1 13 4254 1 1 16 TYR H H 5.163 0.773 0.647 1.00 . A A . 15 TYR H 1 1 13 4255 1 1 16 TYR HA H 6.682 -0.771 2.748 1.00 . A A . 15 TYR HA 1 1 13 4256 1 1 16 TYR HB2 H 4.315 -1.508 3.043 1.00 . A A . 15 TYR HB2 1 1 13 4257 1 1 16 TYR HB3 H 4.193 -1.801 1.324 1.00 . A A . 15 TYR HB3 1 1 13 4258 1 1 16 TYR HD1 H 5.998 -2.934 4.431 1.00 . A A . 15 TYR HD1 1 1 13 4259 1 1 16 TYR HD2 H 5.061 -3.908 0.349 1.00 . A A . 15 TYR HD2 1 1 13 4260 1 1 16 TYR HE1 H 7.028 -5.138 4.718 1.00 . A A . 15 TYR HE1 1 1 13 4261 1 1 16 TYR HE2 H 6.089 -6.108 0.639 1.00 . A A . 15 TYR HE2 1 1 13 4262 1 1 16 TYR HH H 7.561 -7.077 3.746 1.00 . A A . 15 TYR HH 1 1 13 4263 1 1 16 TYR N N 5.600 0.516 1.563 1.00 . A A . 15 TYR N 1 1 13 4264 1 1 16 TYR O O 8.001 -1.723 0.834 1.00 . A A . 15 TYR O 1 1 13 4265 1 1 16 TYR OH O 7.221 -7.004 2.851 1.00 . A A . 15 TYR OH 1 1 13 4266 1 1 17 ASP C C 8.407 -0.081 -1.889 1.00 . A A . 16 ASP C 1 1 13 4267 1 1 17 ASP CA C 7.287 -1.165 -1.846 1.00 . A A . 16 ASP CA 1 1 13 4268 1 1 17 ASP CB C 6.423 -1.317 -3.106 1.00 . A A . 16 ASP CB 1 1 13 4269 1 1 17 ASP CG C 7.172 -1.790 -4.358 1.00 . A A . 16 ASP CG 1 1 13 4270 1 1 17 ASP H H 5.604 -0.366 -0.658 1.00 . A A . 16 ASP H 1 1 13 4271 1 1 17 ASP HA H 7.805 -2.096 -1.677 1.00 . A A . 16 ASP HA 1 1 13 4272 1 1 17 ASP HB2 H 5.592 -2.024 -2.919 1.00 . A A . 16 ASP HB2 1 1 13 4273 1 1 17 ASP HB3 H 5.951 -0.350 -3.289 1.00 . A A . 16 ASP HB3 1 1 13 4274 1 1 17 ASP HD2 H 7.397 0.107 -4.735 1.00 . A A . 16 ASP HD2 1 1 13 4275 1 1 17 ASP N N 6.458 -0.941 -0.639 1.00 . A A . 16 ASP N 1 1 13 4276 1 1 17 ASP O O 9.556 -0.446 -2.152 1.00 . A A . 16 ASP O 1 1 13 4277 1 1 17 ASP OD1 O 7.342 -2.976 -4.637 1.00 . A A . 16 ASP OD1 1 1 13 4278 1 1 17 ASP OD2 O 7.628 -0.743 -5.118 1.00 . A A . 16 ASP OD2 1 1 13 4279 1 1 18 LYS C C 10.011 2.154 -0.283 1.00 . A A . 17 LYS C 1 1 13 4280 1 1 18 LYS CA C 9.129 2.285 -1.599 1.00 . A A . 17 LYS CA 1 1 13 4281 1 1 18 LYS CB C 8.452 3.676 -1.752 1.00 . A A . 17 LYS CB 1 1 13 4282 1 1 18 LYS CD C 10.224 4.865 -3.254 1.00 . A A . 17 LYS CD 1 1 13 4283 1 1 18 LYS CE C 11.126 6.097 -3.473 1.00 . A A . 17 LYS CE 1 1 13 4284 1 1 18 LYS CG C 9.385 4.893 -1.954 1.00 . A A . 17 LYS CG 1 1 13 4285 1 1 18 LYS H H 7.153 1.413 -1.280 1.00 . A A . 17 LYS H 1 1 13 4286 1 1 18 LYS HA H 9.767 2.126 -2.476 1.00 . A A . 17 LYS HA 1 1 13 4287 1 1 18 LYS HB2 H 7.744 3.654 -2.603 1.00 . A A . 17 LYS HB2 1 1 13 4288 1 1 18 LYS HB3 H 7.817 3.871 -0.866 1.00 . A A . 17 LYS HB3 1 1 13 4289 1 1 18 LYS HD2 H 10.877 3.973 -3.238 1.00 . A A . 17 LYS HD2 1 1 13 4290 1 1 18 LYS HD3 H 9.564 4.722 -4.131 1.00 . A A . 17 LYS HD3 1 1 13 4291 1 1 18 LYS HE2 H 11.758 6.277 -2.584 1.00 . A A . 17 LYS HE2 1 1 13 4292 1 1 18 LYS HE3 H 11.829 5.890 -4.301 1.00 . A A . 17 LYS HE3 1 1 13 4293 1 1 18 LYS HG2 H 8.760 5.805 -1.949 1.00 . A A . 17 LYS HG2 1 1 13 4294 1 1 18 LYS HG3 H 10.053 5.001 -1.080 1.00 . A A . 17 LYS HG3 1 1 13 4295 1 1 18 LYS HZ1 H 9.848 7.193 -4.670 1.00 . A A . 17 LYS HZ1 1 1 13 4296 1 1 18 LYS HZ3 H 11.021 8.097 -3.979 1.00 . A A . 17 LYS HZ3 1 1 13 4297 1 1 18 LYS N N 8.094 1.221 -1.652 1.00 . A A . 17 LYS N 1 1 13 4298 1 1 18 LYS NZ N 10.373 7.324 -3.798 1.00 . A A . 17 LYS NZ 1 1 13 4299 1 1 18 LYS O O 11.113 2.707 -0.228 1.00 . A A . 17 LYS O 1 1 13 4300 1 1 19 VAL C C 11.250 -0.003 1.839 1.00 . A A . 18 VAL C 1 1 13 4301 1 1 19 VAL CA C 10.214 1.138 2.033 1.00 . A A . 18 VAL CA 1 1 13 4302 1 1 19 VAL CB C 9.212 0.992 3.229 1.00 . A A . 18 VAL CB 1 1 13 4303 1 1 19 VAL CG1 C 9.760 0.343 4.504 1.00 . A A . 18 VAL CG1 1 1 13 4304 1 1 19 VAL CG2 C 8.512 2.316 3.590 1.00 . A A . 18 VAL CG2 1 1 13 4305 1 1 19 VAL H H 8.777 0.792 0.410 1.00 . A A . 18 VAL H 1 1 13 4306 1 1 19 VAL HA H 10.801 2.011 2.226 1.00 . A A . 18 VAL HA 1 1 13 4307 1 1 19 VAL HB H 8.434 0.301 2.938 1.00 . A A . 18 VAL HB 1 1 13 4308 1 1 19 VAL HG11 H 10.595 0.922 4.929 1.00 . A A . 18 VAL HG11 1 1 13 4309 1 1 19 VAL HG12 H 10.111 -0.683 4.290 1.00 . A A . 18 VAL HG12 1 1 13 4310 1 1 19 VAL HG13 H 8.963 0.243 5.264 1.00 . A A . 18 VAL HG13 1 1 13 4311 1 1 19 VAL HG21 H 7.967 2.730 2.722 1.00 . A A . 18 VAL HG21 1 1 13 4312 1 1 19 VAL HG22 H 7.759 2.168 4.388 1.00 . A A . 18 VAL HG22 1 1 13 4313 1 1 19 VAL HG23 H 9.226 3.081 3.939 1.00 . A A . 18 VAL HG23 1 1 13 4314 1 1 19 VAL N N 9.518 1.416 0.750 1.00 . A A . 18 VAL N 1 1 13 4315 1 1 19 VAL O O 12.424 0.185 2.175 1.00 . A A . 18 VAL O 1 1 13 4316 1 1 20 LYS C C 12.790 -2.026 -0.103 1.00 . A A . 19 LYS C 1 1 13 4317 1 1 20 LYS CA C 11.715 -2.315 1.019 1.00 . A A . 19 LYS CA 1 1 13 4318 1 1 20 LYS CB C 10.782 -3.506 0.668 1.00 . A A . 19 LYS CB 1 1 13 4319 1 1 20 LYS CD C 10.453 -6.088 0.615 1.00 . A A . 19 LYS CD 1 1 13 4320 1 1 20 LYS CE C 9.620 -6.206 -0.677 1.00 . A A . 19 LYS CE 1 1 13 4321 1 1 20 LYS CG C 11.444 -4.904 0.646 1.00 . A A . 19 LYS CG 1 1 13 4322 1 1 20 LYS H H 9.825 -1.198 1.085 1.00 . A A . 19 LYS H 1 1 13 4323 1 1 20 LYS HA H 12.236 -2.556 1.959 1.00 . A A . 19 LYS HA 1 1 13 4324 1 1 20 LYS HB2 H 9.957 -3.549 1.405 1.00 . A A . 19 LYS HB2 1 1 13 4325 1 1 20 LYS HB3 H 10.291 -3.312 -0.307 1.00 . A A . 19 LYS HB3 1 1 13 4326 1 1 20 LYS HD2 H 11.031 -7.020 0.760 1.00 . A A . 19 LYS HD2 1 1 13 4327 1 1 20 LYS HD3 H 9.782 -6.024 1.494 1.00 . A A . 19 LYS HD3 1 1 13 4328 1 1 20 LYS HE2 H 9.005 -5.300 -0.828 1.00 . A A . 19 LYS HE2 1 1 13 4329 1 1 20 LYS HE3 H 10.283 -6.283 -1.558 1.00 . A A . 19 LYS HE3 1 1 13 4330 1 1 20 LYS HG2 H 12.143 -4.981 -0.208 1.00 . A A . 19 LYS HG2 1 1 13 4331 1 1 20 LYS HG3 H 12.075 -5.015 1.548 1.00 . A A . 19 LYS HG3 1 1 13 4332 1 1 20 LYS HZ1 H 8.062 -7.291 0.134 1.00 . A A . 19 LYS HZ1 1 1 13 4333 1 1 20 LYS HZ3 H 8.164 -7.421 -1.492 1.00 . A A . 19 LYS HZ3 1 1 13 4334 1 1 20 LYS N N 10.821 -1.167 1.316 1.00 . A A . 19 LYS N 1 1 13 4335 1 1 20 LYS NZ N 8.731 -7.381 -0.638 1.00 . A A . 19 LYS NZ 1 1 13 4336 1 1 20 LYS O O 13.726 -2.812 -0.267 1.00 . A A . 19 LYS O 1 1 13 4337 1 1 21 GLU C C 14.778 0.325 -1.306 1.00 . A A . 20 GLU C 1 1 13 4338 1 1 21 GLU CA C 13.581 -0.454 -1.901 1.00 . A A . 20 GLU CA 1 1 13 4339 1 1 21 GLU CB C 12.763 0.285 -2.980 1.00 . A A . 20 GLU CB 1 1 13 4340 1 1 21 GLU CD C 12.654 1.488 -5.228 1.00 . A A . 20 GLU CD 1 1 13 4341 1 1 21 GLU CG C 13.535 0.719 -4.241 1.00 . A A . 20 GLU CG 1 1 13 4342 1 1 21 GLU H H 12.006 -0.219 -0.445 1.00 . A A . 20 GLU H 1 1 13 4343 1 1 21 GLU HA H 13.972 -1.333 -2.363 1.00 . A A . 20 GLU HA 1 1 13 4344 1 1 21 GLU HB2 H 11.905 -0.344 -3.284 1.00 . A A . 20 GLU HB2 1 1 13 4345 1 1 21 GLU HB3 H 12.324 1.164 -2.500 1.00 . A A . 20 GLU HB3 1 1 13 4346 1 1 21 GLU HE2 H 12.208 -0.269 -5.939 1.00 . A A . 20 GLU HE2 1 1 13 4347 1 1 21 GLU HG2 H 14.389 1.362 -3.956 1.00 . A A . 20 GLU HG2 1 1 13 4348 1 1 21 GLU HG3 H 13.975 -0.165 -4.738 1.00 . A A . 20 GLU HG3 1 1 13 4349 1 1 21 GLU N N 12.652 -0.903 -0.850 1.00 . A A . 20 GLU N 1 1 13 4350 1 1 21 GLU O O 15.930 -0.101 -1.397 1.00 . A A . 20 GLU O 1 1 13 4351 1 1 21 GLU OE1 O 12.551 2.715 -5.232 1.00 . A A . 20 GLU OE1 1 1 13 4352 1 1 21 GLU OE2 O 12.000 0.654 -6.099 1.00 . A A . 20 GLU OE2 1 1 13 4353 1 1 22 NH2 HN1 H 13.729 1.924 -1.017 1.00 . A A . 21 NH2 HN1 1 1 13 4354 1 1 22 NH2 HN2 H 14.444 1.076 0.358 1.00 . A A . 21 NH2 HN2 1 1 13 4355 1 1 22 NH2 N N 14.519 1.412 -0.605 1.00 . A A . 21 NH2 N 1 1 14 4356 1 1 2 GLU C C -13.615 -2.390 -0.115 1.00 . A A . 1 ACE C 1 1 14 4357 1 1 2 GLU CA C -14.139 -0.333 -1.451 1.00 . A A . 1 ACE CA 1 1 14 4358 1 1 2 GLU CB C -15.486 0.087 -0.774 1.00 . A A . 1 ACE CB 1 1 14 4359 1 1 2 GLU CD C -17.254 -1.791 -1.191 1.00 . A A . 1 ACE CD 1 1 14 4360 1 1 2 GLU CG C -16.816 -0.342 -1.434 1.00 . A A . 1 ACE CG 1 1 14 4361 1 1 2 GLU H H -14.831 -2.296 -1.639 1.00 . A A . 1 ACE H 1 1 14 4362 1 1 2 GLU HA H -14.272 -0.154 -2.531 1.00 . A A . 1 ACE HA 1 1 14 4363 1 1 2 GLU HB2 H -15.450 -0.206 0.292 1.00 . A A . 1 ACE HB2 1 1 14 4364 1 1 2 GLU HB3 H -15.530 1.178 -0.774 1.00 . A A . 1 ACE HB3 1 1 14 4365 1 1 2 GLU HE2 H -17.984 -2.898 0.234 1.00 . A A . 1 ACE HE2 1 1 14 4366 1 1 2 GLU HG2 H -17.614 0.325 -1.059 1.00 . A A . 1 ACE HG2 1 1 14 4367 1 1 2 GLU HG3 H -16.763 -0.139 -2.519 1.00 . A A . 1 ACE HG3 1 1 14 4368 1 1 2 GLU N N -14.028 -1.800 -1.255 1.00 . A A . 1 ACE N 1 1 14 4369 1 1 2 GLU O O -13.135 -1.787 0.848 1.00 . A A . 1 ACE O 1 1 14 4370 1 1 2 GLU OE1 O -17.193 -2.670 -2.051 1.00 . A A . 1 ACE OE1 1 1 14 4371 1 1 2 GLU OE2 O -17.713 -1.989 0.086 1.00 . A A . 1 ACE OE2 1 1 14 4372 1 1 3 SER C C -10.987 2.075 0.839 1.00 . A A . 2 SER C 1 1 14 4373 1 1 3 SER CA C -11.969 2.654 -0.199 1.00 . A A . 2 SER CA 1 1 14 4374 1 1 3 SER CB C -12.633 3.929 0.331 1.00 . A A . 2 SER CB 1 1 14 4375 1 1 3 SER H H -14.029 2.010 -0.674 1.00 . A A . 2 SER H 1 1 14 4376 1 1 3 SER HA H -11.409 2.957 -1.084 1.00 . A A . 2 SER HA 1 1 14 4377 1 1 3 SER HB2 H -13.515 4.201 -0.266 1.00 . A A . 2 SER HB2 1 1 14 4378 1 1 3 SER HB3 H -13.021 3.729 1.331 1.00 . A A . 2 SER HB3 1 1 14 4379 1 1 3 SER HG H -11.001 4.738 0.946 1.00 . A A . 2 SER HG 1 1 14 4380 1 1 3 SER N N -13.047 1.725 -0.631 1.00 . A A . 2 SER N 1 1 14 4381 1 1 3 SER O O -9.785 2.318 0.745 1.00 . A A . 2 SER O 1 1 14 4382 1 1 3 SER OG O -11.720 5.018 0.374 1.00 . A A . 2 SER OG 1 1 14 4383 1 1 4 ALA C C -9.959 -0.680 2.518 1.00 . A A . 3 ALA C 1 1 14 4384 1 1 4 ALA CA C -10.692 0.659 2.861 1.00 . A A . 3 ALA CA 1 1 14 4385 1 1 4 ALA CB C -11.525 0.537 4.135 1.00 . A A . 3 ALA CB 1 1 14 4386 1 1 4 ALA H H -12.549 1.310 1.747 1.00 . A A . 3 ALA H 1 1 14 4387 1 1 4 ALA HA H -9.842 1.341 2.993 1.00 . A A . 3 ALA HA 1 1 14 4388 1 1 4 ALA HB1 H -10.908 0.165 4.971 1.00 . A A . 3 ALA HB1 1 1 14 4389 1 1 4 ALA HB2 H -11.948 1.512 4.433 1.00 . A A . 3 ALA HB2 1 1 14 4390 1 1 4 ALA HB3 H -12.360 -0.173 3.983 1.00 . A A . 3 ALA HB3 1 1 14 4391 1 1 4 ALA N N -11.526 1.331 1.823 1.00 . A A . 3 ALA N 1 1 14 4392 1 1 4 ALA O O -9.414 -1.390 3.367 1.00 . A A . 3 ALA O 1 1 14 4393 1 1 5 LYS C C -8.854 -1.665 -0.933 1.00 . A A . 4 LYS C 1 1 14 4394 1 1 5 LYS CA C -9.333 -2.085 0.519 1.00 . A A . 4 LYS CA 1 1 14 4395 1 1 5 LYS CB C -10.209 -3.363 0.547 1.00 . A A . 4 LYS CB 1 1 14 4396 1 1 5 LYS CD C -8.484 -5.174 -0.228 1.00 . A A . 4 LYS CD 1 1 14 4397 1 1 5 LYS CE C -7.879 -6.550 0.105 1.00 . A A . 4 LYS CE 1 1 14 4398 1 1 5 LYS CG C -9.481 -4.692 0.845 1.00 . A A . 4 LYS CG 1 1 14 4399 1 1 5 LYS H H -10.534 -0.251 0.753 1.00 . A A . 4 LYS H 1 1 14 4400 1 1 5 LYS HA H -8.390 -2.217 1.078 1.00 . A A . 4 LYS HA 1 1 14 4401 1 1 5 LYS HB2 H -10.983 -3.252 1.328 1.00 . A A . 4 LYS HB2 1 1 14 4402 1 1 5 LYS HB3 H -10.782 -3.429 -0.397 1.00 . A A . 4 LYS HB3 1 1 14 4403 1 1 5 LYS HD2 H -8.994 -5.216 -1.210 1.00 . A A . 4 LYS HD2 1 1 14 4404 1 1 5 LYS HD3 H -7.672 -4.431 -0.335 1.00 . A A . 4 LYS HD3 1 1 14 4405 1 1 5 LYS HE2 H -7.350 -6.515 1.075 1.00 . A A . 4 LYS HE2 1 1 14 4406 1 1 5 LYS HE3 H -8.677 -7.308 0.213 1.00 . A A . 4 LYS HE3 1 1 14 4407 1 1 5 LYS HG2 H -8.967 -4.612 1.821 1.00 . A A . 4 LYS HG2 1 1 14 4408 1 1 5 LYS HG3 H -10.252 -5.473 0.989 1.00 . A A . 4 LYS HG3 1 1 14 4409 1 1 5 LYS HZ1 H -6.151 -6.339 -1.004 1.00 . A A . 4 LYS HZ1 1 1 14 4410 1 1 5 LYS HZ3 H -6.523 -7.897 -0.677 1.00 . A A . 4 LYS HZ3 1 1 14 4411 1 1 5 LYS N N -9.976 -0.956 1.227 1.00 . A A . 4 LYS N 1 1 14 4412 1 1 5 LYS NZ N -6.937 -6.995 -0.938 1.00 . A A . 4 LYS NZ 1 1 14 4413 1 1 5 LYS O O -8.706 -2.477 -1.849 1.00 . A A . 4 LYS O 1 1 14 4414 1 1 6 HIS C C -7.000 1.293 -1.730 1.00 . A A . 5 HIS C 1 1 14 4415 1 1 6 HIS CA C -8.125 0.364 -2.277 1.00 . A A . 5 HIS CA 1 1 14 4416 1 1 6 HIS CB C -9.234 1.056 -3.099 1.00 . A A . 5 HIS CB 1 1 14 4417 1 1 6 HIS CD2 C -8.069 0.884 -5.408 1.00 . A A . 5 HIS CD2 1 1 14 4418 1 1 6 HIS CE1 C -8.094 2.915 -5.951 1.00 . A A . 5 HIS CE1 1 1 14 4419 1 1 6 HIS CG C -8.702 1.636 -4.405 1.00 . A A . 5 HIS CG 1 1 14 4420 1 1 6 HIS H H -9.232 0.134 -0.412 1.00 . A A . 5 HIS H 1 1 14 4421 1 1 6 HIS HA H -7.597 -0.380 -2.879 1.00 . A A . 5 HIS HA 1 1 14 4422 1 1 6 HIS HB2 H -10.030 0.328 -3.343 1.00 . A A . 5 HIS HB2 1 1 14 4423 1 1 6 HIS HB3 H -9.730 1.840 -2.495 1.00 . A A . 5 HIS HB3 1 1 14 4424 1 1 6 HIS HD2 H -7.905 -0.183 -5.380 1.00 . A A . 5 HIS HD2 1 1 14 4425 1 1 6 HIS HE1 H -7.928 3.816 -6.524 1.00 . A A . 5 HIS HE1 1 1 14 4426 1 1 6 HIS HE2 H -7.175 1.486 -7.310 1.00 . A A . 5 HIS HE2 1 1 14 4427 1 1 6 HIS N N -8.632 -0.352 -1.090 1.00 . A A . 5 HIS N 1 1 14 4428 1 1 6 HIS ND1 N -8.727 2.987 -4.734 1.00 . A A . 5 HIS ND1 1 1 14 4429 1 1 6 HIS NE2 N -7.669 1.709 -6.439 1.00 . A A . 5 HIS NE2 1 1 14 4430 1 1 6 HIS O O -5.918 1.318 -2.322 1.00 . A A . 5 HIS O 1 1 14 4431 1 1 7 MET C C -5.326 1.966 0.778 1.00 . A A . 6 MET C 1 1 14 4432 1 1 7 MET CA C -6.240 2.943 0.005 1.00 . A A . 6 MET CA 1 1 14 4433 1 1 7 MET CB C -6.855 4.060 0.887 1.00 . A A . 6 MET CB 1 1 14 4434 1 1 7 MET CE C -9.008 7.380 -0.476 1.00 . A A . 6 MET CE 1 1 14 4435 1 1 7 MET CG C -7.952 4.888 0.199 1.00 . A A . 6 MET CG 1 1 14 4436 1 1 7 MET H H -8.112 1.915 -0.139 1.00 . A A . 6 MET H 1 1 14 4437 1 1 7 MET HA H -5.608 3.367 -0.779 1.00 . A A . 6 MET HA 1 1 14 4438 1 1 7 MET HB2 H -7.272 3.636 1.821 1.00 . A A . 6 MET HB2 1 1 14 4439 1 1 7 MET HB3 H -6.043 4.732 1.218 1.00 . A A . 6 MET HB3 1 1 14 4440 1 1 7 MET HE1 H -9.009 8.479 -0.369 1.00 . A A . 6 MET HE1 1 1 14 4441 1 1 7 MET HE2 H -8.794 7.139 -1.533 1.00 . A A . 6 MET HE2 1 1 14 4442 1 1 7 MET HE3 H -10.021 7.013 -0.234 1.00 . A A . 6 MET HE3 1 1 14 4443 1 1 7 MET HG2 H -7.914 4.731 -0.894 1.00 . A A . 6 MET HG2 1 1 14 4444 1 1 7 MET HG3 H -8.950 4.528 0.509 1.00 . A A . 6 MET HG3 1 1 14 4445 1 1 7 MET N N -7.245 2.082 -0.650 1.00 . A A . 6 MET N 1 1 14 4446 1 1 7 MET O O -4.125 2.025 0.557 1.00 . A A . 6 MET O 1 1 14 4447 1 1 7 MET SD S -7.776 6.642 0.616 1.00 . A A . 6 MET SD 1 1 14 4448 1 1 8 PHE C C -4.366 -0.944 1.391 1.00 . A A . 7 PHE C 1 1 14 4449 1 1 8 PHE CA C -5.089 0.039 2.364 1.00 . A A . 7 PHE CA 1 1 14 4450 1 1 8 PHE CB C -6.045 -0.711 3.316 1.00 . A A . 7 PHE CB 1 1 14 4451 1 1 8 PHE CD1 C -5.376 -0.332 5.736 1.00 . A A . 7 PHE CD1 1 1 14 4452 1 1 8 PHE CD2 C -7.263 0.896 4.859 1.00 . A A . 7 PHE CD2 1 1 14 4453 1 1 8 PHE CE1 C -5.534 0.306 6.962 1.00 . A A . 7 PHE CE1 1 1 14 4454 1 1 8 PHE CE2 C -7.421 1.530 6.085 1.00 . A A . 7 PHE CE2 1 1 14 4455 1 1 8 PHE CG C -6.239 -0.039 4.677 1.00 . A A . 7 PHE CG 1 1 14 4456 1 1 8 PHE CZ C -6.558 1.237 7.140 1.00 . A A . 7 PHE CZ 1 1 14 4457 1 1 8 PHE H H -6.883 0.999 1.594 1.00 . A A . 7 PHE H 1 1 14 4458 1 1 8 PHE HA H -4.313 0.565 2.925 1.00 . A A . 7 PHE HA 1 1 14 4459 1 1 8 PHE HB2 H -7.012 -0.795 2.813 1.00 . A A . 7 PHE HB2 1 1 14 4460 1 1 8 PHE HB3 H -5.747 -1.767 3.450 1.00 . A A . 7 PHE HB3 1 1 14 4461 1 1 8 PHE HD1 H -4.573 -1.045 5.610 1.00 . A A . 7 PHE HD1 1 1 14 4462 1 1 8 PHE HD2 H -7.931 1.145 4.048 1.00 . A A . 7 PHE HD2 1 1 14 4463 1 1 8 PHE HE1 H -4.851 0.073 7.762 1.00 . A A . 7 PHE HE1 1 1 14 4464 1 1 8 PHE HE2 H -8.213 2.255 6.196 1.00 . A A . 7 PHE HE2 1 1 14 4465 1 1 8 PHE HZ H -6.677 1.734 8.091 1.00 . A A . 7 PHE HZ 1 1 14 4466 1 1 8 PHE N N -5.867 1.067 1.632 1.00 . A A . 7 PHE N 1 1 14 4467 1 1 8 PHE O O -3.272 -1.406 1.720 1.00 . A A . 7 PHE O 1 1 14 4468 1 1 9 ASP C C -3.079 -1.430 -1.386 1.00 . A A . 8 ASP C 1 1 14 4469 1 1 9 ASP CA C -4.345 -2.143 -0.812 1.00 . A A . 8 ASP CA 1 1 14 4470 1 1 9 ASP CB C -5.375 -2.442 -1.926 1.00 . A A . 8 ASP CB 1 1 14 4471 1 1 9 ASP CG C -4.997 -3.582 -2.880 1.00 . A A . 8 ASP CG 1 1 14 4472 1 1 9 ASP H H -5.972 -0.996 0.226 1.00 . A A . 8 ASP H 1 1 14 4473 1 1 9 ASP HA H -4.099 -3.117 -0.347 1.00 . A A . 8 ASP HA 1 1 14 4474 1 1 9 ASP HB2 H -6.322 -2.708 -1.446 1.00 . A A . 8 ASP HB2 1 1 14 4475 1 1 9 ASP HB3 H -5.607 -1.530 -2.507 1.00 . A A . 8 ASP HB3 1 1 14 4476 1 1 9 ASP HD2 H -4.232 -2.174 -3.986 1.00 . A A . 8 ASP HD2 1 1 14 4477 1 1 9 ASP N N -4.975 -1.265 0.221 1.00 . A A . 8 ASP N 1 1 14 4478 1 1 9 ASP O O -2.010 -2.041 -1.458 1.00 . A A . 8 ASP O 1 1 14 4479 1 1 9 ASP OD1 O -5.256 -4.764 -2.659 1.00 . A A . 8 ASP OD1 1 1 14 4480 1 1 9 ASP OD2 O -4.340 -3.128 -3.995 1.00 . A A . 8 ASP OD2 1 1 14 4481 1 1 10 ARG C C -1.073 0.922 -1.179 1.00 . A A . 9 ARG C 1 1 14 4482 1 1 10 ARG CA C -2.131 0.715 -2.283 1.00 . A A . 9 ARG CA 1 1 14 4483 1 1 10 ARG CB C -2.635 2.061 -2.848 1.00 . A A . 9 ARG CB 1 1 14 4484 1 1 10 ARG CD C -3.878 3.295 -4.736 1.00 . A A . 9 ARG CD 1 1 14 4485 1 1 10 ARG CG C -3.296 1.957 -4.241 1.00 . A A . 9 ARG CG 1 1 14 4486 1 1 10 ARG CZ C -4.805 4.220 -6.873 1.00 . A A . 9 ARG CZ 1 1 14 4487 1 1 10 ARG H H -4.202 0.206 -1.672 1.00 . A A . 9 ARG H 1 1 14 4488 1 1 10 ARG HA H -1.631 0.141 -3.064 1.00 . A A . 9 ARG HA 1 1 14 4489 1 1 10 ARG HB2 H -3.325 2.538 -2.125 1.00 . A A . 9 ARG HB2 1 1 14 4490 1 1 10 ARG HB3 H -1.777 2.756 -2.927 1.00 . A A . 9 ARG HB3 1 1 14 4491 1 1 10 ARG HD2 H -4.723 3.603 -4.089 1.00 . A A . 9 ARG HD2 1 1 14 4492 1 1 10 ARG HD3 H -3.113 4.091 -4.652 1.00 . A A . 9 ARG HD3 1 1 14 4493 1 1 10 ARG HG2 H -2.542 1.582 -4.960 1.00 . A A . 9 ARG HG2 1 1 14 4494 1 1 10 ARG HG3 H -4.096 1.193 -4.224 1.00 . A A . 9 ARG HG3 1 1 14 4495 1 1 10 ARG HH11 H -4.665 5.619 -5.434 1.00 . A A . 9 ARG HH11 1 1 14 4496 1 1 10 ARG HH12 H -5.317 6.157 -7.062 1.00 . A A . 9 ARG HH12 1 1 14 4497 1 1 10 ARG HH21 H -5.041 3.021 -8.460 1.00 . A A . 9 ARG HH21 1 1 14 4498 1 1 10 ARG HH22 H -5.514 4.783 -8.659 1.00 . A A . 9 ARG HH22 1 1 14 4499 1 1 10 ARG N N -3.235 -0.136 -1.774 1.00 . A A . 9 ARG N 1 1 14 4500 1 1 10 ARG NE N -4.331 3.191 -6.144 1.00 . A A . 9 ARG NE 1 1 14 4501 1 1 10 ARG NH1 N -4.943 5.460 -6.408 1.00 . A A . 9 ARG NH1 1 1 14 4502 1 1 10 ARG NH2 N -5.155 3.984 -8.124 1.00 . A A . 9 ARG NH2 1 1 14 4503 1 1 10 ARG O O 0.072 0.520 -1.374 1.00 . A A . 9 ARG O 1 1 14 4504 1 1 11 ILE C C 0.291 0.420 1.523 1.00 . A A . 10 ILE C 1 1 14 4505 1 1 11 ILE CA C -0.561 1.688 1.171 1.00 . A A . 10 ILE CA 1 1 14 4506 1 1 11 ILE CB C -1.488 2.222 2.306 1.00 . A A . 10 ILE CB 1 1 14 4507 1 1 11 ILE CD1 C -3.144 4.165 2.786 1.00 . A A . 10 ILE CD1 1 1 14 4508 1 1 11 ILE CG1 C -1.914 3.688 2.020 1.00 . A A . 10 ILE CG1 1 1 14 4509 1 1 11 ILE CG2 C -0.981 2.054 3.748 1.00 . A A . 10 ILE CG2 1 1 14 4510 1 1 11 ILE H H -2.456 1.739 0.077 1.00 . A A . 10 ILE H 1 1 14 4511 1 1 11 ILE HA H 0.140 2.480 0.899 1.00 . A A . 10 ILE HA 1 1 14 4512 1 1 11 ILE HB H -2.380 1.594 2.273 1.00 . A A . 10 ILE HB 1 1 14 4513 1 1 11 ILE HD11 H -3.965 3.430 2.703 1.00 . A A . 10 ILE HD11 1 1 14 4514 1 1 11 ILE HD12 H -2.921 4.302 3.855 1.00 . A A . 10 ILE HD12 1 1 14 4515 1 1 11 ILE HD13 H -3.508 5.117 2.365 1.00 . A A . 10 ILE HD13 1 1 14 4516 1 1 11 ILE HG12 H -1.057 4.363 2.169 1.00 . A A . 10 ILE HG12 1 1 14 4517 1 1 11 ILE HG13 H -2.172 3.793 0.952 1.00 . A A . 10 ILE HG13 1 1 14 4518 1 1 11 ILE HG21 H -1.740 2.394 4.476 1.00 . A A . 10 ILE HG21 1 1 14 4519 1 1 11 ILE HG22 H -0.044 2.609 3.916 1.00 . A A . 10 ILE HG22 1 1 14 4520 1 1 11 ILE HG23 H -0.808 0.986 3.973 1.00 . A A . 10 ILE HG23 1 1 14 4521 1 1 11 ILE N N -1.456 1.481 -0.016 1.00 . A A . 10 ILE N 1 1 14 4522 1 1 11 ILE O O 1.488 0.530 1.802 1.00 . A A . 10 ILE O 1 1 14 4523 1 1 12 GLY C C 1.432 -2.458 0.770 1.00 . A A . 11 GLY C 1 1 14 4524 1 1 12 GLY CA C 0.267 -2.070 1.721 1.00 . A A . 11 GLY CA 1 1 14 4525 1 1 12 GLY H H -1.373 -0.630 1.326 1.00 . A A . 11 GLY H 1 1 14 4526 1 1 12 GLY HA2 H 0.635 -2.070 2.759 1.00 . A A . 11 GLY HA2 1 1 14 4527 1 1 12 GLY HA3 H -0.510 -2.841 1.616 1.00 . A A . 11 GLY HA3 1 1 14 4528 1 1 12 GLY N N -0.368 -0.756 1.488 1.00 . A A . 11 GLY N 1 1 14 4529 1 1 12 GLY O O 2.220 -3.338 1.115 1.00 . A A . 11 GLY O 1 1 14 4530 1 1 13 LYS C C 2.820 -0.713 -2.221 1.00 . A A . 12 LYS C 1 1 14 4531 1 1 13 LYS CA C 2.517 -2.056 -1.460 1.00 . A A . 12 LYS CA 1 1 14 4532 1 1 13 LYS CB C 2.239 -3.304 -2.346 1.00 . A A . 12 LYS CB 1 1 14 4533 1 1 13 LYS CD C 3.178 -5.101 -3.943 1.00 . A A . 12 LYS CD 1 1 14 4534 1 1 13 LYS CE C 4.388 -5.653 -4.723 1.00 . A A . 12 LYS CE 1 1 14 4535 1 1 13 LYS CG C 3.465 -3.817 -3.134 1.00 . A A . 12 LYS CG 1 1 14 4536 1 1 13 LYS H H 0.602 -1.338 -0.631 1.00 . A A . 12 LYS H 1 1 14 4537 1 1 13 LYS HA H 3.451 -2.195 -0.890 1.00 . A A . 12 LYS HA 1 1 14 4538 1 1 13 LYS HB2 H 1.880 -4.136 -1.709 1.00 . A A . 12 LYS HB2 1 1 14 4539 1 1 13 LYS HB3 H 1.405 -3.090 -3.042 1.00 . A A . 12 LYS HB3 1 1 14 4540 1 1 13 LYS HD2 H 2.831 -5.888 -3.247 1.00 . A A . 12 LYS HD2 1 1 14 4541 1 1 13 LYS HD3 H 2.330 -4.934 -4.634 1.00 . A A . 12 LYS HD3 1 1 14 4542 1 1 13 LYS HE2 H 5.256 -5.784 -4.051 1.00 . A A . 12 LYS HE2 1 1 14 4543 1 1 13 LYS HE3 H 4.148 -6.664 -5.098 1.00 . A A . 12 LYS HE3 1 1 14 4544 1 1 13 LYS HG2 H 3.817 -3.030 -3.825 1.00 . A A . 12 LYS HG2 1 1 14 4545 1 1 13 LYS HG3 H 4.302 -4.003 -2.435 1.00 . A A . 12 LYS HG3 1 1 14 4546 1 1 13 LYS HZ1 H 4.006 -4.754 -6.544 1.00 . A A . 12 LYS HZ1 1 1 14 4547 1 1 13 LYS HZ3 H 5.556 -5.249 -6.380 1.00 . A A . 12 LYS HZ3 1 1 14 4548 1 1 13 LYS N N 1.455 -1.874 -0.442 1.00 . A A . 12 LYS N 1 1 14 4549 1 1 13 LYS NZ N 4.779 -4.812 -5.872 1.00 . A A . 12 LYS NZ 1 1 14 4550 1 1 13 LYS O O 2.923 -0.655 -3.449 1.00 . A A . 12 LYS O 1 1 14 4551 1 1 14 ASP C C 4.375 2.156 -0.838 1.00 . A A . 13 ASP C 1 1 14 4552 1 1 14 ASP CA C 3.349 1.736 -1.876 1.00 . A A . 13 ASP CA 1 1 14 4553 1 1 14 ASP CB C 2.160 2.681 -2.041 1.00 . A A . 13 ASP CB 1 1 14 4554 1 1 14 ASP CG C 2.434 3.938 -2.872 1.00 . A A . 13 ASP CG 1 1 14 4555 1 1 14 ASP H H 2.582 0.284 -0.495 1.00 . A A . 13 ASP H 1 1 14 4556 1 1 14 ASP HA H 3.929 1.668 -2.782 1.00 . A A . 13 ASP HA 1 1 14 4557 1 1 14 ASP HB2 H 1.319 2.118 -2.450 1.00 . A A . 13 ASP HB2 1 1 14 4558 1 1 14 ASP HB3 H 1.827 2.963 -1.042 1.00 . A A . 13 ASP HB3 1 1 14 4559 1 1 14 ASP HD2 H 1.930 2.834 -4.394 1.00 . A A . 13 ASP HD2 1 1 14 4560 1 1 14 ASP N N 2.998 0.366 -1.432 1.00 . A A . 13 ASP N 1 1 14 4561 1 1 14 ASP O O 5.509 2.432 -1.232 1.00 . A A . 13 ASP O 1 1 14 4562 1 1 14 ASP OD1 O 2.810 5.003 -2.384 1.00 . A A . 13 ASP OD1 1 1 14 4563 1 1 14 ASP OD2 O 2.218 3.732 -4.210 1.00 . A A . 13 ASP OD2 1 1 14 4564 1 1 15 VAL C C 5.265 1.346 2.374 1.00 . A A . 14 VAL C 1 1 14 4565 1 1 15 VAL CA C 4.958 2.629 1.514 1.00 . A A . 14 VAL CA 1 1 14 4566 1 1 15 VAL CB C 4.662 3.927 2.274 1.00 . A A . 14 VAL CB 1 1 14 4567 1 1 15 VAL CG1 C 4.633 5.110 1.294 1.00 . A A . 14 VAL CG1 1 1 14 4568 1 1 15 VAL CG2 C 3.378 3.850 3.119 1.00 . A A . 14 VAL CG2 1 1 14 4569 1 1 15 VAL H H 3.064 1.907 0.652 1.00 . A A . 14 VAL H 1 1 14 4570 1 1 15 VAL HA H 5.924 2.793 1.009 1.00 . A A . 14 VAL HA 1 1 14 4571 1 1 15 VAL HB H 5.542 4.070 2.923 1.00 . A A . 14 VAL HB 1 1 14 4572 1 1 15 VAL HG11 H 5.551 5.116 0.675 1.00 . A A . 14 VAL HG11 1 1 14 4573 1 1 15 VAL HG12 H 3.779 5.019 0.594 1.00 . A A . 14 VAL HG12 1 1 14 4574 1 1 15 VAL HG13 H 4.558 6.069 1.823 1.00 . A A . 14 VAL HG13 1 1 14 4575 1 1 15 VAL HG21 H 3.208 4.783 3.679 1.00 . A A . 14 VAL HG21 1 1 14 4576 1 1 15 VAL HG22 H 2.495 3.657 2.481 1.00 . A A . 14 VAL HG22 1 1 14 4577 1 1 15 VAL HG23 H 3.432 3.023 3.850 1.00 . A A . 14 VAL HG23 1 1 14 4578 1 1 15 VAL N N 3.974 2.309 0.443 1.00 . A A . 14 VAL N 1 1 14 4579 1 1 15 VAL O O 5.269 1.260 3.604 1.00 . A A . 14 VAL O 1 1 14 4580 1 1 16 TYR C C 6.916 -1.258 0.522 1.00 . A A . 15 TYR C 1 1 14 4581 1 1 16 TYR CA C 5.995 -0.999 1.757 1.00 . A A . 15 TYR CA 1 1 14 4582 1 1 16 TYR CB C 4.841 -1.995 1.956 1.00 . A A . 15 TYR CB 1 1 14 4583 1 1 16 TYR CD1 C 5.835 -3.862 3.361 1.00 . A A . 15 TYR CD1 1 1 14 4584 1 1 16 TYR CD2 C 5.352 -4.317 1.038 1.00 . A A . 15 TYR CD2 1 1 14 4585 1 1 16 TYR CE1 C 6.366 -5.140 3.502 1.00 . A A . 15 TYR CE1 1 1 14 4586 1 1 16 TYR CE2 C 5.884 -5.596 1.180 1.00 . A A . 15 TYR CE2 1 1 14 4587 1 1 16 TYR CG C 5.319 -3.444 2.132 1.00 . A A . 15 TYR CG 1 1 14 4588 1 1 16 TYR CZ C 6.387 -6.011 2.413 1.00 . A A . 15 TYR CZ 1 1 14 4589 1 1 16 TYR H H 5.163 0.701 0.618 1.00 . A A . 15 TYR H 1 1 14 4590 1 1 16 TYR HA H 6.629 -0.990 2.651 1.00 . A A . 15 TYR HA 1 1 14 4591 1 1 16 TYR HB2 H 4.230 -1.693 2.829 1.00 . A A . 15 TYR HB2 1 1 14 4592 1 1 16 TYR HB3 H 4.164 -1.902 1.096 1.00 . A A . 15 TYR HB3 1 1 14 4593 1 1 16 TYR HD1 H 5.871 -3.176 4.195 1.00 . A A . 15 TYR HD1 1 1 14 4594 1 1 16 TYR HD2 H 5.014 -3.993 0.062 1.00 . A A . 15 TYR HD2 1 1 14 4595 1 1 16 TYR HE1 H 6.783 -5.434 4.454 1.00 . A A . 15 TYR HE1 1 1 14 4596 1 1 16 TYR HE2 H 5.927 -6.247 0.321 1.00 . A A . 15 TYR HE2 1 1 14 4597 1 1 16 TYR HH H 7.230 -7.380 3.451 1.00 . A A . 15 TYR HH 1 1 14 4598 1 1 16 TYR N N 5.574 0.383 1.527 1.00 . A A . 15 TYR N 1 1 14 4599 1 1 16 TYR O O 7.994 -1.819 0.722 1.00 . A A . 15 TYR O 1 1 14 4600 1 1 16 TYR OH O 6.926 -7.265 2.547 1.00 . A A . 15 TYR OH 1 1 14 4601 1 1 17 ASP C C 8.463 0.004 -1.884 1.00 . A A . 16 ASP C 1 1 14 4602 1 1 17 ASP CA C 7.348 -1.088 -1.935 1.00 . A A . 16 ASP CA 1 1 14 4603 1 1 17 ASP CB C 6.517 -1.163 -3.223 1.00 . A A . 16 ASP CB 1 1 14 4604 1 1 17 ASP CG C 7.287 -1.612 -4.470 1.00 . A A . 16 ASP CG 1 1 14 4605 1 1 17 ASP H H 5.637 -0.361 -0.741 1.00 . A A . 16 ASP H 1 1 14 4606 1 1 17 ASP HA H 7.860 -2.030 -1.804 1.00 . A A . 16 ASP HA 1 1 14 4607 1 1 17 ASP HB2 H 5.651 -1.835 -3.086 1.00 . A A . 16 ASP HB2 1 1 14 4608 1 1 17 ASP HB3 H 6.095 -0.170 -3.387 1.00 . A A . 16 ASP HB3 1 1 14 4609 1 1 17 ASP HD2 H 6.950 -3.416 -3.819 1.00 . A A . 16 ASP HD2 1 1 14 4610 1 1 17 ASP N N 6.490 -0.937 -0.737 1.00 . A A . 16 ASP N 1 1 14 4611 1 1 17 ASP O O 9.622 -0.334 -2.140 1.00 . A A . 16 ASP O 1 1 14 4612 1 1 17 ASP OD1 O 7.762 -0.828 -5.291 1.00 . A A . 16 ASP OD1 1 1 14 4613 1 1 17 ASP OD2 O 7.383 -2.977 -4.556 1.00 . A A . 16 ASP OD2 1 1 14 4614 1 1 18 LYS C C 9.990 2.162 -0.097 1.00 . A A . 17 LYS C 1 1 14 4615 1 1 18 LYS CA C 9.150 2.358 -1.429 1.00 . A A . 17 LYS CA 1 1 14 4616 1 1 18 LYS CB C 8.505 3.772 -1.469 1.00 . A A . 17 LYS CB 1 1 14 4617 1 1 18 LYS CD C 8.852 4.467 -3.955 1.00 . A A . 17 LYS CD 1 1 14 4618 1 1 18 LYS CE C 8.160 4.966 -5.236 1.00 . A A . 17 LYS CE 1 1 14 4619 1 1 18 LYS CG C 7.856 4.212 -2.804 1.00 . A A . 17 LYS CG 1 1 14 4620 1 1 18 LYS H H 7.179 1.448 -1.220 1.00 . A A . 17 LYS H 1 1 14 4621 1 1 18 LYS HA H 9.832 2.267 -2.281 1.00 . A A . 17 LYS HA 1 1 14 4622 1 1 18 LYS HB2 H 7.746 3.849 -0.667 1.00 . A A . 17 LYS HB2 1 1 14 4623 1 1 18 LYS HB3 H 9.264 4.531 -1.198 1.00 . A A . 17 LYS HB3 1 1 14 4624 1 1 18 LYS HD2 H 9.610 5.204 -3.627 1.00 . A A . 17 LYS HD2 1 1 14 4625 1 1 18 LYS HD3 H 9.410 3.536 -4.175 1.00 . A A . 17 LYS HD3 1 1 14 4626 1 1 18 LYS HE2 H 7.410 4.231 -5.582 1.00 . A A . 17 LYS HE2 1 1 14 4627 1 1 18 LYS HE3 H 7.609 5.904 -5.037 1.00 . A A . 17 LYS HE3 1 1 14 4628 1 1 18 LYS HG2 H 7.101 3.468 -3.119 1.00 . A A . 17 LYS HG2 1 1 14 4629 1 1 18 LYS HG3 H 7.284 5.140 -2.616 1.00 . A A . 17 LYS HG3 1 1 14 4630 1 1 18 LYS HZ1 H 9.652 4.341 -6.518 1.00 . A A . 17 LYS HZ1 1 1 14 4631 1 1 18 LYS HZ3 H 9.836 5.886 -6.015 1.00 . A A . 17 LYS HZ3 1 1 14 4632 1 1 18 LYS N N 8.131 1.287 -1.577 1.00 . A A . 17 LYS N 1 1 14 4633 1 1 18 LYS NZ N 9.133 5.203 -6.318 1.00 . A A . 17 LYS NZ 1 1 14 4634 1 1 18 LYS O O 11.062 2.758 0.038 1.00 . A A . 17 LYS O 1 1 14 4635 1 1 19 VAL C C 11.214 -0.122 1.907 1.00 . A A . 18 VAL C 1 1 14 4636 1 1 19 VAL CA C 10.157 0.988 2.148 1.00 . A A . 18 VAL CA 1 1 14 4637 1 1 19 VAL CB C 9.128 0.756 3.305 1.00 . A A . 18 VAL CB 1 1 14 4638 1 1 19 VAL CG1 C 9.656 0.031 4.548 1.00 . A A . 18 VAL CG1 1 1 14 4639 1 1 19 VAL CG2 C 8.409 2.048 3.738 1.00 . A A . 18 VAL CG2 1 1 14 4640 1 1 19 VAL H H 8.773 0.723 0.466 1.00 . A A . 18 VAL H 1 1 14 4641 1 1 19 VAL HA H 10.730 1.854 2.405 1.00 . A A . 18 VAL HA 1 1 14 4642 1 1 19 VAL HB H 8.366 0.078 2.949 1.00 . A A . 18 VAL HB 1 1 14 4643 1 1 19 VAL HG11 H 10.475 0.589 5.028 1.00 . A A . 18 VAL HG11 1 1 14 4644 1 1 19 VAL HG12 H 10.022 -0.976 4.276 1.00 . A A . 18 VAL HG12 1 1 14 4645 1 1 19 VAL HG13 H 8.843 -0.126 5.281 1.00 . A A . 18 VAL HG13 1 1 14 4646 1 1 19 VAL HG21 H 7.884 2.517 2.885 1.00 . A A . 18 VAL HG21 1 1 14 4647 1 1 19 VAL HG22 H 7.638 1.841 4.504 1.00 . A A . 18 VAL HG22 1 1 14 4648 1 1 19 VAL HG23 H 9.108 2.792 4.155 1.00 . A A . 18 VAL HG23 1 1 14 4649 1 1 19 VAL N N 9.493 1.334 0.865 1.00 . A A . 18 VAL N 1 1 14 4650 1 1 19 VAL O O 12.371 0.059 2.299 1.00 . A A . 18 VAL O 1 1 14 4651 1 1 20 LYS C C 12.903 -1.931 -0.050 1.00 . A A . 19 LYS C 1 1 14 4652 1 1 20 LYS CA C 11.755 -2.361 0.944 1.00 . A A . 19 LYS CA 1 1 14 4653 1 1 20 LYS CB C 10.884 -3.532 0.405 1.00 . A A . 19 LYS CB 1 1 14 4654 1 1 20 LYS CD C 12.076 -5.159 -1.245 1.00 . A A . 19 LYS CD 1 1 14 4655 1 1 20 LYS CE C 12.799 -6.505 -1.448 1.00 . A A . 19 LYS CE 1 1 14 4656 1 1 20 LYS CG C 11.587 -4.896 0.199 1.00 . A A . 19 LYS CG 1 1 14 4657 1 1 20 LYS H H 9.831 -1.287 1.037 1.00 . A A . 19 LYS H 1 1 14 4658 1 1 20 LYS HA H 12.212 -2.690 1.891 1.00 . A A . 19 LYS HA 1 1 14 4659 1 1 20 LYS HB2 H 10.066 -3.714 1.130 1.00 . A A . 19 LYS HB2 1 1 14 4660 1 1 20 LYS HB3 H 10.361 -3.226 -0.523 1.00 . A A . 19 LYS HB3 1 1 14 4661 1 1 20 LYS HD2 H 11.199 -5.136 -1.918 1.00 . A A . 19 LYS HD2 1 1 14 4662 1 1 20 LYS HD3 H 12.722 -4.335 -1.599 1.00 . A A . 19 LYS HD3 1 1 14 4663 1 1 20 LYS HE2 H 12.186 -7.338 -1.058 1.00 . A A . 19 LYS HE2 1 1 14 4664 1 1 20 LYS HE3 H 12.912 -6.697 -2.530 1.00 . A A . 19 LYS HE3 1 1 14 4665 1 1 20 LYS HG2 H 12.420 -5.003 0.920 1.00 . A A . 19 LYS HG2 1 1 14 4666 1 1 20 LYS HG3 H 10.876 -5.700 0.468 1.00 . A A . 19 LYS HG3 1 1 14 4667 1 1 20 LYS HZ1 H 14.062 -6.371 0.183 1.00 . A A . 19 LYS HZ1 1 1 14 4668 1 1 20 LYS HZ3 H 14.719 -5.784 -1.194 1.00 . A A . 19 LYS HZ3 1 1 14 4669 1 1 20 LYS N N 10.823 -1.254 1.289 1.00 . A A . 19 LYS N 1 1 14 4670 1 1 20 LYS NZ N 14.137 -6.544 -0.825 1.00 . A A . 19 LYS NZ 1 1 14 4671 1 1 20 LYS O O 13.934 -2.605 -0.114 1.00 . A A . 19 LYS O 1 1 14 4672 1 1 21 GLU C C 14.743 0.643 -1.006 1.00 . A A . 20 GLU C 1 1 14 4673 1 1 21 GLU CA C 13.708 -0.247 -1.730 1.00 . A A . 20 GLU CA 1 1 14 4674 1 1 21 GLU CB C 12.932 0.401 -2.896 1.00 . A A . 20 GLU CB 1 1 14 4675 1 1 21 GLU CD C 14.714 1.850 -4.123 1.00 . A A . 20 GLU CD 1 1 14 4676 1 1 21 GLU CG C 13.725 0.681 -4.182 1.00 . A A . 20 GLU CG 1 1 14 4677 1 1 21 GLU H H 12.014 -0.173 -0.418 1.00 . A A . 20 GLU H 1 1 14 4678 1 1 21 GLU HA H 14.247 -1.066 -2.147 1.00 . A A . 20 GLU HA 1 1 14 4679 1 1 21 GLU HB2 H 12.092 -0.255 -3.197 1.00 . A A . 20 GLU HB2 1 1 14 4680 1 1 21 GLU HB3 H 12.460 1.314 -2.527 1.00 . A A . 20 GLU HB3 1 1 14 4681 1 1 21 GLU HE2 H 13.130 2.975 -4.250 1.00 . A A . 20 GLU HE2 1 1 14 4682 1 1 21 GLU HG2 H 14.252 -0.245 -4.474 1.00 . A A . 20 GLU HG2 1 1 14 4683 1 1 21 GLU HG3 H 12.993 0.877 -4.985 1.00 . A A . 20 GLU HG3 1 1 14 4684 1 1 21 GLU N N 12.723 -0.810 -0.793 1.00 . A A . 20 GLU N 1 1 14 4685 1 1 21 GLU O O 15.934 0.337 -0.966 1.00 . A A . 20 GLU O 1 1 14 4686 1 1 21 GLU OE1 O 15.932 1.703 -4.033 1.00 . A A . 20 GLU OE1 1 1 14 4687 1 1 21 GLU OE2 O 14.083 3.067 -4.182 1.00 . A A . 20 GLU OE2 1 1 14 4688 1 1 22 NH2 HN1 H 13.490 2.110 -0.808 1.00 . A A . 21 NH2 HN1 1 1 14 4689 1 1 22 NH2 HN2 H 14.212 1.355 0.621 1.00 . A A . 21 NH2 HN2 1 1 14 4690 1 1 22 NH2 N N 14.302 1.692 -0.339 1.00 . A A . 21 NH2 N 1 1 15 4691 1 1 2 GLU C C -13.117 -2.622 -2.267 1.00 . A A . 1 ACE C 1 1 15 4692 1 1 2 GLU CA C -14.142 -0.728 -1.025 1.00 . A A . 1 ACE CA 1 1 15 4693 1 1 2 GLU CB C -15.220 -0.674 0.107 1.00 . A A . 1 ACE CB 1 1 15 4694 1 1 2 GLU CD C -16.544 -2.923 0.143 1.00 . A A . 1 ACE CD 1 1 15 4695 1 1 2 GLU CG C -16.559 -1.410 -0.101 1.00 . A A . 1 ACE CG 1 1 15 4696 1 1 2 GLU H H -14.213 -2.851 -0.632 1.00 . A A . 1 ACE H 1 1 15 4697 1 1 2 GLU HA H -14.675 -0.438 -1.946 1.00 . A A . 1 ACE HA 1 1 15 4698 1 1 2 GLU HB2 H -14.761 -0.914 1.082 1.00 . A A . 1 ACE HB2 1 1 15 4699 1 1 2 GLU HB3 H -15.523 0.375 0.224 1.00 . A A . 1 ACE HB3 1 1 15 4700 1 1 2 GLU HE2 H -16.495 -4.182 1.627 1.00 . A A . 1 ACE HE2 1 1 15 4701 1 1 2 GLU HG2 H -17.304 -0.954 0.577 1.00 . A A . 1 ACE HG2 1 1 15 4702 1 1 2 GLU HG3 H -16.929 -1.191 -1.120 1.00 . A A . 1 ACE HG3 1 1 15 4703 1 1 2 GLU N N -13.693 -2.138 -1.154 1.00 . A A . 1 ACE N 1 1 15 4704 1 1 2 GLU O O -12.767 -1.923 -3.221 1.00 . A A . 1 ACE O 1 1 15 4705 1 1 2 GLU OE1 O -16.566 -3.756 -0.763 1.00 . A A . 1 ACE OE1 1 1 15 4706 1 1 2 GLU OE2 O -16.504 -3.234 1.478 1.00 . A A . 1 ACE OE2 1 1 15 4707 1 1 3 SER C C -11.188 2.180 0.856 1.00 . A A . 2 SER C 1 1 15 4708 1 1 3 SER CA C -12.319 2.589 -0.094 1.00 . A A . 2 SER CA 1 1 15 4709 1 1 3 SER CB C -13.064 3.846 0.373 1.00 . A A . 2 SER CB 1 1 15 4710 1 1 3 SER H H -14.307 1.619 -0.250 1.00 . A A . 2 SER H 1 1 15 4711 1 1 3 SER HA H -11.886 2.861 -1.055 1.00 . A A . 2 SER HA 1 1 15 4712 1 1 3 SER HB2 H -13.987 4.002 -0.204 1.00 . A A . 2 SER HB2 1 1 15 4713 1 1 3 SER HB3 H -13.388 3.698 1.404 1.00 . A A . 2 SER HB3 1 1 15 4714 1 1 3 SER HG H -12.014 5.099 -0.640 1.00 . A A . 2 SER HG 1 1 15 4715 1 1 3 SER N N -13.295 1.495 -0.341 1.00 . A A . 2 SER N 1 1 15 4716 1 1 3 SER O O -10.024 2.305 0.488 1.00 . A A . 2 SER O 1 1 15 4717 1 1 3 SER OG O -12.240 5.003 0.288 1.00 . A A . 2 SER OG 1 1 15 4718 1 1 4 ALA C C -9.951 -0.255 2.799 1.00 . A A . 3 ALA C 1 1 15 4719 1 1 4 ALA CA C -10.570 1.171 3.044 1.00 . A A . 3 ALA CA 1 1 15 4720 1 1 4 ALA CB C -11.217 1.272 4.423 1.00 . A A . 3 ALA CB 1 1 15 4721 1 1 4 ALA H H -12.575 1.630 2.127 1.00 . A A . 3 ALA H 1 1 15 4722 1 1 4 ALA HA H -9.701 1.851 2.966 1.00 . A A . 3 ALA HA 1 1 15 4723 1 1 4 ALA HB1 H -11.581 2.295 4.622 1.00 . A A . 3 ALA HB1 1 1 15 4724 1 1 4 ALA HB2 H -10.493 1.007 5.212 1.00 . A A . 3 ALA HB2 1 1 15 4725 1 1 4 ALA HB3 H -12.074 0.575 4.500 1.00 . A A . 3 ALA HB3 1 1 15 4726 1 1 4 ALA N N -11.557 1.674 2.045 1.00 . A A . 3 ALA N 1 1 15 4727 1 1 4 ALA O O -9.434 -0.937 3.688 1.00 . A A . 3 ALA O 1 1 15 4728 1 1 5 LYS C C -8.990 -1.594 -0.576 1.00 . A A . 4 LYS C 1 1 15 4729 1 1 5 LYS CA C -9.544 -1.870 0.888 1.00 . A A . 4 LYS CA 1 1 15 4730 1 1 5 LYS CB C -10.593 -3.002 0.996 1.00 . A A . 4 LYS CB 1 1 15 4731 1 1 5 LYS CD C -11.114 -5.519 1.081 1.00 . A A . 4 LYS CD 1 1 15 4732 1 1 5 LYS CE C -10.631 -6.968 0.871 1.00 . A A . 4 LYS CE 1 1 15 4733 1 1 5 LYS CG C -10.038 -4.435 0.851 1.00 . A A . 4 LYS CG 1 1 15 4734 1 1 5 LYS H H -10.653 0.019 1.049 1.00 . A A . 4 LYS H 1 1 15 4735 1 1 5 LYS HA H -8.632 -2.076 1.460 1.00 . A A . 4 LYS HA 1 1 15 4736 1 1 5 LYS HB2 H -11.102 -2.933 1.976 1.00 . A A . 4 LYS HB2 1 1 15 4737 1 1 5 LYS HB3 H -11.381 -2.819 0.243 1.00 . A A . 4 LYS HB3 1 1 15 4738 1 1 5 LYS HD2 H -11.551 -5.412 2.092 1.00 . A A . 4 LYS HD2 1 1 15 4739 1 1 5 LYS HD3 H -11.956 -5.338 0.387 1.00 . A A . 4 LYS HD3 1 1 15 4740 1 1 5 LYS HE2 H -11.506 -7.644 0.851 1.00 . A A . 4 LYS HE2 1 1 15 4741 1 1 5 LYS HE3 H -10.150 -7.076 -0.119 1.00 . A A . 4 LYS HE3 1 1 15 4742 1 1 5 LYS HG2 H -9.596 -4.568 -0.153 1.00 . A A . 4 LYS HG2 1 1 15 4743 1 1 5 LYS HG3 H -9.208 -4.581 1.568 1.00 . A A . 4 LYS HG3 1 1 15 4744 1 1 5 LYS HZ1 H -8.853 -6.865 1.918 1.00 . A A . 4 LYS HZ1 1 1 15 4745 1 1 5 LYS HZ3 H -9.400 -8.393 1.721 1.00 . A A . 4 LYS HZ3 1 1 15 4746 1 1 5 LYS N N -10.054 -0.644 1.536 1.00 . A A . 4 LYS N 1 1 15 4747 1 1 5 LYS NZ N -9.706 -7.435 1.922 1.00 . A A . 4 LYS NZ 1 1 15 4748 1 1 5 LYS O O -8.787 -2.497 -1.389 1.00 . A A . 4 LYS O 1 1 15 4749 1 1 6 HIS C C -7.056 1.239 -1.533 1.00 . A A . 5 HIS C 1 1 15 4750 1 1 6 HIS CA C -8.196 0.315 -2.071 1.00 . A A . 5 HIS CA 1 1 15 4751 1 1 6 HIS CB C -9.255 0.998 -2.961 1.00 . A A . 5 HIS CB 1 1 15 4752 1 1 6 HIS CD2 C -8.392 0.494 -5.348 1.00 . A A . 5 HIS CD2 1 1 15 4753 1 1 6 HIS CE1 C -7.810 2.431 -5.920 1.00 . A A . 5 HIS CE1 1 1 15 4754 1 1 6 HIS CG C -8.677 1.398 -4.313 1.00 . A A . 5 HIS CG 1 1 15 4755 1 1 6 HIS H H -9.372 0.257 -0.246 1.00 . A A . 5 HIS H 1 1 15 4756 1 1 6 HIS HA H -7.676 -0.479 -2.615 1.00 . A A . 5 HIS HA 1 1 15 4757 1 1 6 HIS HB2 H -10.102 0.308 -3.135 1.00 . A A . 5 HIS HB2 1 1 15 4758 1 1 6 HIS HB3 H -9.695 1.874 -2.446 1.00 . A A . 5 HIS HB3 1 1 15 4759 1 1 6 HIS HD2 H -8.547 -0.575 -5.297 1.00 . A A . 5 HIS HD2 1 1 15 4760 1 1 6 HIS HE1 H -7.394 3.233 -6.512 1.00 . A A . 5 HIS HE1 1 1 15 4761 1 1 6 HIS HE2 H -7.492 0.794 -7.316 1.00 . A A . 5 HIS HE2 1 1 15 4762 1 1 6 HIS N N -8.762 -0.301 -0.856 1.00 . A A . 5 HIS N 1 1 15 4763 1 1 6 HIS ND1 N -8.294 2.689 -4.660 1.00 . A A . 5 HIS ND1 1 1 15 4764 1 1 6 HIS NE2 N -7.844 1.160 -6.425 1.00 . A A . 5 HIS NE2 1 1 15 4765 1 1 6 HIS O O -5.958 1.203 -2.090 1.00 . A A . 5 HIS O 1 1 15 4766 1 1 7 MET C C -5.364 1.995 0.927 1.00 . A A . 6 MET C 1 1 15 4767 1 1 7 MET CA C -6.290 2.953 0.138 1.00 . A A . 6 MET CA 1 1 15 4768 1 1 7 MET CB C -6.883 4.127 0.969 1.00 . A A . 6 MET CB 1 1 15 4769 1 1 7 MET CE C -9.168 4.729 4.407 1.00 . A A . 6 MET CE 1 1 15 4770 1 1 7 MET CG C -7.850 3.831 2.128 1.00 . A A . 6 MET CG 1 1 15 4771 1 1 7 MET H H -8.128 1.851 0.042 1.00 . A A . 6 MET H 1 1 15 4772 1 1 7 MET HA H -5.653 3.340 -0.661 1.00 . A A . 6 MET HA 1 1 15 4773 1 1 7 MET HB2 H -6.043 4.694 1.399 1.00 . A A . 6 MET HB2 1 1 15 4774 1 1 7 MET HB3 H -7.407 4.824 0.292 1.00 . A A . 6 MET HB3 1 1 15 4775 1 1 7 MET HE1 H -9.049 3.707 4.808 1.00 . A A . 6 MET HE1 1 1 15 4776 1 1 7 MET HE2 H -10.121 4.771 3.848 1.00 . A A . 6 MET HE2 1 1 15 4777 1 1 7 MET HE3 H -9.240 5.427 5.260 1.00 . A A . 6 MET HE3 1 1 15 4778 1 1 7 MET HG2 H -8.882 3.748 1.755 1.00 . A A . 6 MET HG2 1 1 15 4779 1 1 7 MET HG3 H -7.614 2.878 2.627 1.00 . A A . 6 MET HG3 1 1 15 4780 1 1 7 MET N N -7.306 2.095 -0.502 1.00 . A A . 6 MET N 1 1 15 4781 1 1 7 MET O O -4.166 2.045 0.691 1.00 . A A . 6 MET O 1 1 15 4782 1 1 7 MET SD S -7.781 5.171 3.343 1.00 . A A . 6 MET SD 1 1 15 4783 1 1 8 PHE C C -4.392 -0.909 1.609 1.00 . A A . 7 PHE C 1 1 15 4784 1 1 8 PHE CA C -5.117 0.101 2.550 1.00 . A A . 7 PHE CA 1 1 15 4785 1 1 8 PHE CB C -6.080 -0.605 3.530 1.00 . A A . 7 PHE CB 1 1 15 4786 1 1 8 PHE CD1 C -5.254 -0.276 5.905 1.00 . A A . 7 PHE CD1 1 1 15 4787 1 1 8 PHE CD2 C -7.134 1.042 5.154 1.00 . A A . 7 PHE CD2 1 1 15 4788 1 1 8 PHE CE1 C -5.301 0.363 7.139 1.00 . A A . 7 PHE CE1 1 1 15 4789 1 1 8 PHE CE2 C -7.180 1.680 6.387 1.00 . A A . 7 PHE CE2 1 1 15 4790 1 1 8 PHE CG C -6.169 0.061 4.905 1.00 . A A . 7 PHE CG 1 1 15 4791 1 1 8 PHE CZ C -6.264 1.342 7.383 1.00 . A A . 7 PHE CZ 1 1 15 4792 1 1 8 PHE H H -6.916 1.060 1.781 1.00 . A A . 7 PHE H 1 1 15 4793 1 1 8 PHE HA H -4.343 0.646 3.098 1.00 . A A . 7 PHE HA 1 1 15 4794 1 1 8 PHE HB2 H -7.073 -0.617 3.065 1.00 . A A . 7 PHE HB2 1 1 15 4795 1 1 8 PHE HB3 H -5.839 -1.679 3.642 1.00 . A A . 7 PHE HB3 1 1 15 4796 1 1 8 PHE HD1 H -4.493 -1.024 5.726 1.00 . A A . 7 PHE HD1 1 1 15 4797 1 1 8 PHE HD2 H -7.844 1.323 4.390 1.00 . A A . 7 PHE HD2 1 1 15 4798 1 1 8 PHE HE1 H -4.576 0.095 7.889 1.00 . A A . 7 PHE HE1 1 1 15 4799 1 1 8 PHE HE2 H -7.928 2.439 6.550 1.00 . A A . 7 PHE HE2 1 1 15 4800 1 1 8 PHE HZ H -6.297 1.841 8.340 1.00 . A A . 7 PHE HZ 1 1 15 4801 1 1 8 PHE N N -5.897 1.111 1.795 1.00 . A A . 7 PHE N 1 1 15 4802 1 1 8 PHE O O -3.292 -1.353 1.943 1.00 . A A . 7 PHE O 1 1 15 4803 1 1 9 ASP C C -3.127 -1.489 -1.156 1.00 . A A . 8 ASP C 1 1 15 4804 1 1 9 ASP CA C -4.395 -2.174 -0.559 1.00 . A A . 8 ASP CA 1 1 15 4805 1 1 9 ASP CB C -5.434 -2.479 -1.664 1.00 . A A . 8 ASP CB 1 1 15 4806 1 1 9 ASP CG C -5.052 -3.610 -2.628 1.00 . A A . 8 ASP CG 1 1 15 4807 1 1 9 ASP H H -6.007 -1.009 0.475 1.00 . A A . 8 ASP H 1 1 15 4808 1 1 9 ASP HA H -4.145 -3.138 -0.074 1.00 . A A . 8 ASP HA 1 1 15 4809 1 1 9 ASP HB2 H -6.386 -2.733 -1.186 1.00 . A A . 8 ASP HB2 1 1 15 4810 1 1 9 ASP HB3 H -5.658 -1.570 -2.253 1.00 . A A . 8 ASP HB3 1 1 15 4811 1 1 9 ASP HD2 H -5.163 -5.550 -2.751 1.00 . A A . 8 ASP HD2 1 1 15 4812 1 1 9 ASP N N -5.010 -1.268 0.458 1.00 . A A . 8 ASP N 1 1 15 4813 1 1 9 ASP O O -2.064 -2.114 -1.209 1.00 . A A . 8 ASP O 1 1 15 4814 1 1 9 ASP OD1 O -4.489 -3.420 -3.706 1.00 . A A . 8 ASP OD1 1 1 15 4815 1 1 9 ASP OD2 O -5.406 -4.845 -2.146 1.00 . A A . 8 ASP OD2 1 1 15 4816 1 1 10 ARG C C -1.107 0.866 -1.006 1.00 . A A . 9 ARG C 1 1 15 4817 1 1 10 ARG CA C -2.145 0.600 -2.119 1.00 . A A . 9 ARG CA 1 1 15 4818 1 1 10 ARG CB C -2.602 1.891 -2.843 1.00 . A A . 9 ARG CB 1 1 15 4819 1 1 10 ARG CD C -4.043 0.819 -4.766 1.00 . A A . 9 ARG CD 1 1 15 4820 1 1 10 ARG CG C -2.880 1.749 -4.360 1.00 . A A . 9 ARG CG 1 1 15 4821 1 1 10 ARG CZ C -4.716 -0.328 -6.896 1.00 . A A . 9 ARG CZ 1 1 15 4822 1 1 10 ARG H H -4.235 0.148 -1.489 1.00 . A A . 9 ARG H 1 1 15 4823 1 1 10 ARG HA H -1.634 -0.044 -2.835 1.00 . A A . 9 ARG HA 1 1 15 4824 1 1 10 ARG HB2 H -3.464 2.351 -2.325 1.00 . A A . 9 ARG HB2 1 1 15 4825 1 1 10 ARG HB3 H -1.797 2.646 -2.749 1.00 . A A . 9 ARG HB3 1 1 15 4826 1 1 10 ARG HD2 H -3.907 -0.175 -4.301 1.00 . A A . 9 ARG HD2 1 1 15 4827 1 1 10 ARG HD3 H -5.001 1.218 -4.389 1.00 . A A . 9 ARG HD3 1 1 15 4828 1 1 10 ARG HG2 H -3.067 2.758 -4.773 1.00 . A A . 9 ARG HG2 1 1 15 4829 1 1 10 ARG HG3 H -1.947 1.408 -4.850 1.00 . A A . 9 ARG HG3 1 1 15 4830 1 1 10 ARG HH11 H -5.287 -1.363 -5.267 1.00 . A A . 9 ARG HH11 1 1 15 4831 1 1 10 ARG HH12 H -5.716 -2.074 -6.903 1.00 . A A . 9 ARG HH12 1 1 15 4832 1 1 10 ARG HH21 H -4.265 0.509 -8.658 1.00 . A A . 9 ARG HH21 1 1 15 4833 1 1 10 ARG HH22 H -5.175 -1.084 -8.692 1.00 . A A . 9 ARG HH22 1 1 15 4834 1 1 10 ARG N N -3.269 -0.207 -1.584 1.00 . A A . 9 ARG N 1 1 15 4835 1 1 10 ARG NE N -4.126 0.692 -6.242 1.00 . A A . 9 ARG NE 1 1 15 4836 1 1 10 ARG NH1 N -5.300 -1.362 -6.293 1.00 . A A . 9 ARG NH1 1 1 15 4837 1 1 10 ARG NH2 N -4.719 -0.298 -8.215 1.00 . A A . 9 ARG NH2 1 1 15 4838 1 1 10 ARG O O 0.041 0.462 -1.176 1.00 . A A . 9 ARG O 1 1 15 4839 1 1 11 ILE C C 0.258 0.494 1.719 1.00 . A A . 10 ILE C 1 1 15 4840 1 1 11 ILE CA C -0.607 1.735 1.310 1.00 . A A . 10 ILE CA 1 1 15 4841 1 1 11 ILE CB C -1.538 2.307 2.424 1.00 . A A . 10 ILE CB 1 1 15 4842 1 1 11 ILE CD1 C -3.207 4.252 2.835 1.00 . A A . 10 ILE CD1 1 1 15 4843 1 1 11 ILE CG1 C -1.976 3.757 2.081 1.00 . A A . 10 ILE CG1 1 1 15 4844 1 1 11 ILE CG2 C -1.030 2.202 3.873 1.00 . A A . 10 ILE CG2 1 1 15 4845 1 1 11 ILE H H -2.499 1.729 0.211 1.00 . A A . 10 ILE H 1 1 15 4846 1 1 11 ILE HA H 0.087 2.524 1.009 1.00 . A A . 10 ILE HA 1 1 15 4847 1 1 11 ILE HB H -2.424 1.670 2.416 1.00 . A A . 10 ILE HB 1 1 15 4848 1 1 11 ILE HD11 H -3.592 5.174 2.369 1.00 . A A . 10 ILE HD11 1 1 15 4849 1 1 11 ILE HD12 H -4.015 3.500 2.802 1.00 . A A . 10 ILE HD12 1 1 15 4850 1 1 11 ILE HD13 H -2.974 4.448 3.893 1.00 . A A . 10 ILE HD13 1 1 15 4851 1 1 11 ILE HG12 H -1.124 4.443 2.201 1.00 . A A . 10 ILE HG12 1 1 15 4852 1 1 11 ILE HG13 H -2.238 3.814 1.010 1.00 . A A . 10 ILE HG13 1 1 15 4853 1 1 11 ILE HG21 H -0.101 2.773 4.020 1.00 . A A . 10 ILE HG21 1 1 15 4854 1 1 11 ILE HG22 H -1.794 2.561 4.586 1.00 . A A . 10 ILE HG22 1 1 15 4855 1 1 11 ILE HG23 H -0.846 1.145 4.140 1.00 . A A . 10 ILE HG23 1 1 15 4856 1 1 11 ILE N N -1.497 1.475 0.130 1.00 . A A . 10 ILE N 1 1 15 4857 1 1 11 ILE O O 1.455 0.629 1.989 1.00 . A A . 10 ILE O 1 1 15 4858 1 1 12 GLY C C 1.429 -2.411 1.104 1.00 . A A . 11 GLY C 1 1 15 4859 1 1 12 GLY CA C 0.263 -1.983 2.036 1.00 . A A . 11 GLY CA 1 1 15 4860 1 1 12 GLY H H -1.392 -0.582 1.565 1.00 . A A . 11 GLY H 1 1 15 4861 1 1 12 GLY HA2 H 0.639 -1.921 3.068 1.00 . A A . 11 GLY HA2 1 1 15 4862 1 1 12 GLY HA3 H -0.506 -2.767 1.981 1.00 . A A . 11 GLY HA3 1 1 15 4863 1 1 12 GLY N N -0.388 -0.688 1.740 1.00 . A A . 11 GLY N 1 1 15 4864 1 1 12 GLY O O 2.223 -3.270 1.488 1.00 . A A . 11 GLY O 1 1 15 4865 1 1 13 LYS C C 2.807 -0.799 -1.966 1.00 . A A . 12 LYS C 1 1 15 4866 1 1 13 LYS CA C 2.503 -2.109 -1.147 1.00 . A A . 12 LYS CA 1 1 15 4867 1 1 13 LYS CB C 2.219 -3.393 -1.980 1.00 . A A . 12 LYS CB 1 1 15 4868 1 1 13 LYS CD C 3.152 -5.263 -3.490 1.00 . A A . 12 LYS CD 1 1 15 4869 1 1 13 LYS CE C 4.387 -5.791 -4.244 1.00 . A A . 12 LYS CE 1 1 15 4870 1 1 13 LYS CG C 3.443 -3.951 -2.738 1.00 . A A . 12 LYS CG 1 1 15 4871 1 1 13 LYS H H 0.581 -1.381 -0.346 1.00 . A A . 12 LYS H 1 1 15 4872 1 1 13 LYS HA H 3.441 -2.223 -0.578 1.00 . A A . 12 LYS HA 1 1 15 4873 1 1 13 LYS HB2 H 1.850 -4.194 -1.309 1.00 . A A . 12 LYS HB2 1 1 15 4874 1 1 13 LYS HB3 H 1.389 -3.203 -2.687 1.00 . A A . 12 LYS HB3 1 1 15 4875 1 1 13 LYS HD2 H 2.794 -6.027 -2.773 1.00 . A A . 12 LYS HD2 1 1 15 4876 1 1 13 LYS HD3 H 2.319 -5.100 -4.202 1.00 . A A . 12 LYS HD3 1 1 15 4877 1 1 13 LYS HE2 H 4.748 -5.040 -4.970 1.00 . A A . 12 LYS HE2 1 1 15 4878 1 1 13 LYS HE3 H 5.222 -5.970 -3.541 1.00 . A A . 12 LYS HE3 1 1 15 4879 1 1 13 LYS HG2 H 3.807 -3.199 -3.461 1.00 . A A . 12 LYS HG2 1 1 15 4880 1 1 13 LYS HG3 H 4.273 -4.113 -2.024 1.00 . A A . 12 LYS HG3 1 1 15 4881 1 1 13 LYS HZ1 H 3.751 -7.754 -4.299 1.00 . A A . 12 LYS HZ1 1 1 15 4882 1 1 13 LYS HZ3 H 3.316 -6.895 -5.620 1.00 . A A . 12 LYS HZ3 1 1 15 4883 1 1 13 LYS N N 1.445 -1.886 -0.134 1.00 . A A . 12 LYS N 1 1 15 4884 1 1 13 LYS NZ N 4.086 -7.044 -4.959 1.00 . A A . 12 LYS NZ 1 1 15 4885 1 1 13 LYS O O 2.943 -0.804 -3.193 1.00 . A A . 12 LYS O 1 1 15 4886 1 1 14 ASP C C 4.329 2.131 -0.735 1.00 . A A . 13 ASP C 1 1 15 4887 1 1 14 ASP CA C 3.294 1.671 -1.743 1.00 . A A . 13 ASP CA 1 1 15 4888 1 1 14 ASP CB C 2.108 2.616 -1.934 1.00 . A A . 13 ASP CB 1 1 15 4889 1 1 14 ASP CG C 2.392 3.844 -2.806 1.00 . A A . 13 ASP CG 1 1 15 4890 1 1 14 ASP H H 2.526 0.284 -0.297 1.00 . A A . 13 ASP H 1 1 15 4891 1 1 14 ASP HA H 3.862 1.566 -2.653 1.00 . A A . 13 ASP HA 1 1 15 4892 1 1 14 ASP HB2 H 1.266 2.042 -2.322 1.00 . A A . 13 ASP HB2 1 1 15 4893 1 1 14 ASP HB3 H 1.777 2.936 -0.947 1.00 . A A . 13 ASP HB3 1 1 15 4894 1 1 14 ASP HD2 H 2.413 4.351 -4.685 1.00 . A A . 13 ASP HD2 1 1 15 4895 1 1 14 ASP N N 2.950 0.324 -1.232 1.00 . A A . 13 ASP N 1 1 15 4896 1 1 14 ASP O O 5.464 2.352 -1.152 1.00 . A A . 13 ASP O 1 1 15 4897 1 1 14 ASP OD1 O 2.729 4.935 -2.348 1.00 . A A . 13 ASP OD1 1 1 15 4898 1 1 14 ASP OD2 O 2.232 3.580 -4.142 1.00 . A A . 13 ASP OD2 1 1 15 4899 1 1 15 VAL C C 5.305 1.500 2.485 1.00 . A A . 14 VAL C 1 1 15 4900 1 1 15 VAL CA C 4.954 2.732 1.575 1.00 . A A . 14 VAL CA 1 1 15 4901 1 1 15 VAL CB C 4.670 4.060 2.286 1.00 . A A . 14 VAL CB 1 1 15 4902 1 1 15 VAL CG1 C 4.622 5.200 1.257 1.00 . A A . 14 VAL CG1 1 1 15 4903 1 1 15 VAL CG2 C 3.403 4.015 3.159 1.00 . A A . 14 VAL CG2 1 1 15 4904 1 1 15 VAL H H 3.037 1.981 0.779 1.00 . A A . 14 VAL H 1 1 15 4905 1 1 15 VAL HA H 5.909 2.874 1.044 1.00 . A A . 14 VAL HA 1 1 15 4906 1 1 15 VAL HB H 5.560 4.233 2.914 1.00 . A A . 14 VAL HB 1 1 15 4907 1 1 15 VAL HG11 H 3.762 5.076 0.571 1.00 . A A . 14 VAL HG11 1 1 15 4908 1 1 15 VAL HG12 H 5.534 5.183 0.630 1.00 . A A . 14 VAL HG12 1 1 15 4909 1 1 15 VAL HG13 H 4.548 6.181 1.746 1.00 . A A . 14 VAL HG13 1 1 15 4910 1 1 15 VAL HG21 H 3.474 3.214 3.918 1.00 . A A . 14 VAL HG21 1 1 15 4911 1 1 15 VAL HG22 H 2.507 3.800 2.548 1.00 . A A . 14 VAL HG22 1 1 15 4912 1 1 15 VAL HG23 H 3.245 4.967 3.689 1.00 . A A . 14 VAL HG23 1 1 15 4913 1 1 15 VAL N N 3.946 2.367 0.538 1.00 . A A . 14 VAL N 1 1 15 4914 1 1 15 VAL O O 5.405 1.494 3.714 1.00 . A A . 14 VAL O 1 1 15 4915 1 1 16 TYR C C 6.920 -1.214 0.787 1.00 . A A . 15 TYR C 1 1 15 4916 1 1 16 TYR CA C 5.984 -0.882 1.982 1.00 . A A . 15 TYR CA 1 1 15 4917 1 1 16 TYR CB C 4.841 -1.874 2.250 1.00 . A A . 15 TYR CB 1 1 15 4918 1 1 16 TYR CD1 C 5.865 -3.622 3.783 1.00 . A A . 15 TYR CD1 1 1 15 4919 1 1 16 TYR CD2 C 5.367 -4.254 1.505 1.00 . A A . 15 TYR CD2 1 1 15 4920 1 1 16 TYR CE1 C 6.408 -4.882 4.015 1.00 . A A . 15 TYR CE1 1 1 15 4921 1 1 16 TYR CE2 C 5.912 -5.514 1.738 1.00 . A A . 15 TYR CE2 1 1 15 4922 1 1 16 TYR CG C 5.335 -3.302 2.530 1.00 . A A . 15 TYR CG 1 1 15 4923 1 1 16 TYR CZ C 6.429 -5.832 2.994 1.00 . A A . 15 TYR CZ 1 1 15 4924 1 1 16 TYR H H 5.126 0.755 0.766 1.00 . A A . 15 TYR H 1 1 15 4925 1 1 16 TYR HA H 6.620 -0.814 2.861 1.00 . A A . 15 TYR HA 1 1 15 4926 1 1 16 TYR HB2 H 4.224 -1.518 3.097 1.00 . A A . 15 TYR HB2 1 1 15 4927 1 1 16 TYR HB3 H 4.167 -1.850 1.383 1.00 . A A . 15 TYR HB3 1 1 15 4928 1 1 16 TYR HD1 H 5.902 -2.876 4.564 1.00 . A A . 15 TYR HD1 1 1 15 4929 1 1 16 TYR HD2 H 5.017 -4.007 0.510 1.00 . A A . 15 TYR HD2 1 1 15 4930 1 1 16 TYR HE1 H 6.834 -5.102 4.983 1.00 . A A . 15 TYR HE1 1 1 15 4931 1 1 16 TYR HE2 H 5.952 -6.229 0.931 1.00 . A A . 15 TYR HE2 1 1 15 4932 1 1 16 TYR HH H 6.917 -7.588 2.412 1.00 . A A . 15 TYR HH 1 1 15 4933 1 1 16 TYR N N 5.555 0.483 1.681 1.00 . A A . 15 TYR N 1 1 15 4934 1 1 16 TYR O O 8.001 -1.755 1.029 1.00 . A A . 15 TYR O 1 1 15 4935 1 1 16 TYR OH O 6.979 -7.068 3.217 1.00 . A A . 15 TYR OH 1 1 15 4936 1 1 17 ASP C C 8.429 -0.057 -1.751 1.00 . A A . 16 ASP C 1 1 15 4937 1 1 17 ASP CA C 7.384 -1.205 -1.649 1.00 . A A . 16 ASP CA 1 1 15 4938 1 1 17 ASP CB C 6.579 -1.513 -2.918 1.00 . A A . 16 ASP CB 1 1 15 4939 1 1 17 ASP CG C 7.385 -2.119 -4.073 1.00 . A A . 16 ASP CG 1 1 15 4940 1 1 17 ASP H H 5.654 -0.393 -0.532 1.00 . A A . 16 ASP H 1 1 15 4941 1 1 17 ASP HA H 7.988 -2.063 -1.386 1.00 . A A . 16 ASP HA 1 1 15 4942 1 1 17 ASP HB2 H 5.734 -2.186 -2.687 1.00 . A A . 16 ASP HB2 1 1 15 4943 1 1 17 ASP HB3 H 6.127 -0.573 -3.238 1.00 . A A . 16 ASP HB3 1 1 15 4944 1 1 17 ASP HD2 H 6.976 -3.828 -3.236 1.00 . A A . 16 ASP HD2 1 1 15 4945 1 1 17 ASP N N 6.502 -0.978 -0.487 1.00 . A A . 16 ASP N 1 1 15 4946 1 1 17 ASP O O 9.572 -0.354 -2.106 1.00 . A A . 16 ASP O 1 1 15 4947 1 1 17 ASP OD1 O 7.912 -1.446 -4.958 1.00 . A A . 16 ASP OD1 1 1 15 4948 1 1 17 ASP OD2 O 7.448 -3.487 -3.999 1.00 . A A . 16 ASP OD2 1 1 15 4949 1 1 18 LYS C C 10.064 2.202 -0.263 1.00 . A A . 17 LYS C 1 1 15 4950 1 1 18 LYS CA C 9.053 2.335 -1.465 1.00 . A A . 17 LYS CA 1 1 15 4951 1 1 18 LYS CB C 8.344 3.716 -1.454 1.00 . A A . 17 LYS CB 1 1 15 4952 1 1 18 LYS CD C 6.737 5.347 -2.636 1.00 . A A . 17 LYS CD 1 1 15 4953 1 1 18 LYS CE C 5.970 5.673 -3.930 1.00 . A A . 17 LYS CE 1 1 15 4954 1 1 18 LYS CG C 7.603 4.078 -2.764 1.00 . A A . 17 LYS CG 1 1 15 4955 1 1 18 LYS H H 7.125 1.385 -1.095 1.00 . A A . 17 LYS H 1 1 15 4956 1 1 18 LYS HA H 9.626 2.248 -2.397 1.00 . A A . 17 LYS HA 1 1 15 4957 1 1 18 LYS HB2 H 7.650 3.769 -0.593 1.00 . A A . 17 LYS HB2 1 1 15 4958 1 1 18 LYS HB3 H 9.090 4.512 -1.264 1.00 . A A . 17 LYS HB3 1 1 15 4959 1 1 18 LYS HD2 H 6.017 5.216 -1.804 1.00 . A A . 17 LYS HD2 1 1 15 4960 1 1 18 LYS HD3 H 7.379 6.203 -2.351 1.00 . A A . 17 LYS HD3 1 1 15 4961 1 1 18 LYS HE2 H 6.673 5.812 -4.772 1.00 . A A . 17 LYS HE2 1 1 15 4962 1 1 18 LYS HE3 H 5.309 4.831 -4.210 1.00 . A A . 17 LYS HE3 1 1 15 4963 1 1 18 LYS HG2 H 8.341 4.207 -3.578 1.00 . A A . 17 LYS HG2 1 1 15 4964 1 1 18 LYS HG3 H 6.961 3.235 -3.080 1.00 . A A . 17 LYS HG3 1 1 15 4965 1 1 18 LYS HZ1 H 5.758 7.698 -3.591 1.00 . A A . 17 LYS HZ1 1 1 15 4966 1 1 18 LYS HZ3 H 4.676 7.105 -4.664 1.00 . A A . 17 LYS HZ3 1 1 15 4967 1 1 18 LYS N N 8.077 1.221 -1.457 1.00 . A A . 17 LYS N 1 1 15 4968 1 1 18 LYS NZ N 5.153 6.891 -3.781 1.00 . A A . 17 LYS NZ 1 1 15 4969 1 1 18 LYS O O 11.164 2.753 -0.363 1.00 . A A . 17 LYS O 1 1 15 4970 1 1 19 VAL C C 11.571 0.083 1.739 1.00 . A A . 18 VAL C 1 1 15 4971 1 1 19 VAL CA C 10.595 1.254 2.008 1.00 . A A . 18 VAL CA 1 1 15 4972 1 1 19 VAL CB C 9.843 1.172 3.373 1.00 . A A . 18 VAL CB 1 1 15 4973 1 1 19 VAL CG1 C 8.755 2.249 3.584 1.00 . A A . 18 VAL CG1 1 1 15 4974 1 1 19 VAL CG2 C 9.299 -0.192 3.835 1.00 . A A . 18 VAL CG2 1 1 15 4975 1 1 19 VAL H H 8.881 0.895 0.777 1.00 . A A . 18 VAL H 1 1 15 4976 1 1 19 VAL HA H 11.233 2.130 2.054 1.00 . A A . 18 VAL HA 1 1 15 4977 1 1 19 VAL HB H 10.642 1.375 4.064 1.00 . A A . 18 VAL HB 1 1 15 4978 1 1 19 VAL HG11 H 7.917 2.107 2.880 1.00 . A A . 18 VAL HG11 1 1 15 4979 1 1 19 VAL HG12 H 8.326 2.219 4.604 1.00 . A A . 18 VAL HG12 1 1 15 4980 1 1 19 VAL HG13 H 9.149 3.266 3.419 1.00 . A A . 18 VAL HG13 1 1 15 4981 1 1 19 VAL HG21 H 8.709 -0.125 4.767 1.00 . A A . 18 VAL HG21 1 1 15 4982 1 1 19 VAL HG22 H 8.676 -0.646 3.060 1.00 . A A . 18 VAL HG22 1 1 15 4983 1 1 19 VAL HG23 H 10.125 -0.897 4.034 1.00 . A A . 18 VAL HG23 1 1 15 4984 1 1 19 VAL N N 9.712 1.487 0.847 1.00 . A A . 18 VAL N 1 1 15 4985 1 1 19 VAL O O 12.785 0.243 1.897 1.00 . A A . 18 VAL O 1 1 15 4986 1 1 20 LYS C C 12.807 -2.050 -0.232 1.00 . A A . 19 LYS C 1 1 15 4987 1 1 20 LYS CA C 11.818 -2.284 0.978 1.00 . A A . 19 LYS CA 1 1 15 4988 1 1 20 LYS CB C 10.821 -3.452 0.725 1.00 . A A . 19 LYS CB 1 1 15 4989 1 1 20 LYS CD C 12.134 -5.446 1.772 1.00 . A A . 19 LYS CD 1 1 15 4990 1 1 20 LYS CE C 12.637 -6.883 1.547 1.00 . A A . 19 LYS CE 1 1 15 4991 1 1 20 LYS CG C 11.408 -4.871 0.537 1.00 . A A . 19 LYS CG 1 1 15 4992 1 1 20 LYS H H 9.992 -1.059 1.396 1.00 . A A . 19 LYS H 1 1 15 4993 1 1 20 LYS HA H 12.414 -2.534 1.870 1.00 . A A . 19 LYS HA 1 1 15 4994 1 1 20 LYS HB2 H 10.092 -3.508 1.558 1.00 . A A . 19 LYS HB2 1 1 15 4995 1 1 20 LYS HB3 H 10.207 -3.217 -0.166 1.00 . A A . 19 LYS HB3 1 1 15 4996 1 1 20 LYS HD2 H 12.987 -4.792 2.035 1.00 . A A . 19 LYS HD2 1 1 15 4997 1 1 20 LYS HD3 H 11.450 -5.420 2.643 1.00 . A A . 19 LYS HD3 1 1 15 4998 1 1 20 LYS HE2 H 11.794 -7.553 1.296 1.00 . A A . 19 LYS HE2 1 1 15 4999 1 1 20 LYS HE3 H 13.330 -6.920 0.687 1.00 . A A . 19 LYS HE3 1 1 15 5000 1 1 20 LYS HG2 H 10.578 -5.550 0.263 1.00 . A A . 19 LYS HG2 1 1 15 5001 1 1 20 LYS HG3 H 12.085 -4.883 -0.338 1.00 . A A . 19 LYS HG3 1 1 15 5002 1 1 20 LYS HZ1 H 14.114 -6.798 2.986 1.00 . A A . 19 LYS HZ1 1 1 15 5003 1 1 20 LYS HZ3 H 12.695 -7.383 3.549 1.00 . A A . 19 LYS HZ3 1 1 15 5004 1 1 20 LYS N N 11.019 -1.080 1.338 1.00 . A A . 19 LYS N 1 1 15 5005 1 1 20 LYS NZ N 13.326 -7.407 2.740 1.00 . A A . 19 LYS NZ 1 1 15 5006 1 1 20 LYS O O 13.751 -2.826 -0.404 1.00 . A A . 19 LYS O 1 1 15 5007 1 1 21 GLU C C 14.605 0.316 -1.729 1.00 . A A . 20 GLU C 1 1 15 5008 1 1 21 GLU CA C 13.435 -0.589 -2.177 1.00 . A A . 20 GLU CA 1 1 15 5009 1 1 21 GLU CB C 12.522 -0.027 -3.285 1.00 . A A . 20 GLU CB 1 1 15 5010 1 1 21 GLU CD C 12.231 0.812 -5.680 1.00 . A A . 20 GLU CD 1 1 15 5011 1 1 21 GLU CG C 13.212 0.297 -4.624 1.00 . A A . 20 GLU CG 1 1 15 5012 1 1 21 GLU H H 11.949 -0.288 -0.636 1.00 . A A . 20 GLU H 1 1 15 5013 1 1 21 GLU HA H 13.865 -1.486 -2.564 1.00 . A A . 20 GLU HA 1 1 15 5014 1 1 21 GLU HB2 H 11.699 -0.744 -3.463 1.00 . A A . 20 GLU HB2 1 1 15 5015 1 1 21 GLU HB3 H 12.042 0.873 -2.887 1.00 . A A . 20 GLU HB3 1 1 15 5016 1 1 21 GLU HE2 H 11.978 -1.069 -6.118 1.00 . A A . 20 GLU HE2 1 1 15 5017 1 1 21 GLU HG2 H 13.995 1.061 -4.465 1.00 . A A . 20 GLU HG2 1 1 15 5018 1 1 21 GLU HG3 H 13.736 -0.598 -5.005 1.00 . A A . 20 GLU HG3 1 1 15 5019 1 1 21 GLU N N 12.588 -0.983 -1.039 1.00 . A A . 20 GLU N 1 1 15 5020 1 1 21 GLU O O 15.774 -0.058 -1.817 1.00 . A A . 20 GLU O 1 1 15 5021 1 1 21 GLU OE1 O 11.988 2.005 -5.854 1.00 . A A . 20 GLU OE1 1 1 15 5022 1 1 21 GLU OE2 O 11.662 -0.207 -6.401 1.00 . A A . 20 GLU OE2 1 1 15 5023 1 1 22 NH2 HN1 H 13.469 1.877 -1.559 1.00 . A A . 21 NH2 HN1 1 1 15 5024 1 1 22 NH2 HN2 H 14.328 1.244 -0.147 1.00 . A A . 21 NH2 HN2 1 1 15 5025 1 1 22 NH2 N N 14.312 1.462 -1.146 1.00 . A A . 21 NH2 N 1 1 16 5026 1 1 2 GLU C C -13.787 -2.275 0.175 1.00 . A A . 1 ACE C 1 1 16 5027 1 1 2 GLU CA C -14.146 -0.395 -1.452 1.00 . A A . 1 ACE CA 1 1 16 5028 1 1 2 GLU CB C -15.511 0.200 -0.978 1.00 . A A . 1 ACE CB 1 1 16 5029 1 1 2 GLU CD C -16.997 -0.305 -3.037 1.00 . A A . 1 ACE CD 1 1 16 5030 1 1 2 GLU CG C -16.830 -0.360 -1.514 1.00 . A A . 1 ACE CG 1 1 16 5031 1 1 2 GLU H H -14.985 -2.313 -1.372 1.00 . A A . 1 ACE H 1 1 16 5032 1 1 2 GLU HA H -14.171 -0.365 -2.552 1.00 . A A . 1 ACE HA 1 1 16 5033 1 1 2 GLU HB2 H -15.516 0.137 0.126 1.00 . A A . 1 ACE HB2 1 1 16 5034 1 1 2 GLU HB3 H -15.533 1.268 -1.222 1.00 . A A . 1 ACE HB3 1 1 16 5035 1 1 2 GLU HE2 H -16.747 -1.445 -4.595 1.00 . A A . 1 ACE HE2 1 1 16 5036 1 1 2 GLU HG2 H -16.942 -1.387 -1.138 1.00 . A A . 1 ACE HG2 1 1 16 5037 1 1 2 GLU HG3 H -17.627 0.244 -1.045 1.00 . A A . 1 ACE HG3 1 1 16 5038 1 1 2 GLU N N -14.155 -1.821 -1.040 1.00 . A A . 1 ACE N 1 1 16 5039 1 1 2 GLU O O -13.241 -1.593 1.045 1.00 . A A . 1 ACE O 1 1 16 5040 1 1 2 GLU OE1 O -17.404 0.689 -3.639 1.00 . A A . 1 ACE OE1 1 1 16 5041 1 1 2 GLU OE2 O -16.641 -1.484 -3.641 1.00 . A A . 1 ACE OE2 1 1 16 5042 1 1 3 SER C C -11.019 2.042 0.809 1.00 . A A . 2 SER C 1 1 16 5043 1 1 3 SER CA C -12.033 2.610 -0.203 1.00 . A A . 2 SER CA 1 1 16 5044 1 1 3 SER CB C -12.733 3.856 0.347 1.00 . A A . 2 SER CB 1 1 16 5045 1 1 3 SER H H -14.088 1.849 -0.681 1.00 . A A . 2 SER H 1 1 16 5046 1 1 3 SER HA H -11.498 2.941 -1.092 1.00 . A A . 2 SER HA 1 1 16 5047 1 1 3 SER HB2 H -13.599 4.133 -0.268 1.00 . A A . 2 SER HB2 1 1 16 5048 1 1 3 SER HB3 H -13.147 3.613 1.327 1.00 . A A . 2 SER HB3 1 1 16 5049 1 1 3 SER HG H -12.353 5.680 0.822 1.00 . A A . 2 SER HG 1 1 16 5050 1 1 3 SER N N -13.080 1.651 -0.643 1.00 . A A . 2 SER N 1 1 16 5051 1 1 3 SER O O -9.821 2.287 0.682 1.00 . A A . 2 SER O 1 1 16 5052 1 1 3 SER OG O -11.839 4.958 0.454 1.00 . A A . 2 SER OG 1 1 16 5053 1 1 4 ALA C C -9.968 -0.715 2.454 1.00 . A A . 3 ALA C 1 1 16 5054 1 1 4 ALA CA C -10.679 0.632 2.826 1.00 . A A . 3 ALA CA 1 1 16 5055 1 1 4 ALA CB C -11.488 0.504 4.114 1.00 . A A . 3 ALA CB 1 1 16 5056 1 1 4 ALA H H -12.559 1.283 1.753 1.00 . A A . 3 ALA H 1 1 16 5057 1 1 4 ALA HA H -9.826 1.311 2.947 1.00 . A A . 3 ALA HA 1 1 16 5058 1 1 4 ALA HB1 H -12.328 -0.203 3.974 1.00 . A A . 3 ALA HB1 1 1 16 5059 1 1 4 ALA HB2 H -11.902 1.479 4.425 1.00 . A A . 3 ALA HB2 1 1 16 5060 1 1 4 ALA HB3 H -10.856 0.125 4.935 1.00 . A A . 3 ALA HB3 1 1 16 5061 1 1 4 ALA N N -11.535 1.301 1.806 1.00 . A A . 3 ALA N 1 1 16 5062 1 1 4 ALA O O -9.433 -1.452 3.286 1.00 . A A . 3 ALA O 1 1 16 5063 1 1 5 LYS C C -8.856 -1.644 -1.016 1.00 . A A . 4 LYS C 1 1 16 5064 1 1 5 LYS CA C -9.374 -2.084 0.416 1.00 . A A . 4 LYS CA 1 1 16 5065 1 1 5 LYS CB C -10.320 -3.307 0.395 1.00 . A A . 4 LYS CB 1 1 16 5066 1 1 5 LYS CD C -10.574 -5.884 0.169 1.00 . A A . 4 LYS CD 1 1 16 5067 1 1 5 LYS CE C -11.225 -6.250 1.518 1.00 . A A . 4 LYS CE 1 1 16 5068 1 1 5 LYS CG C -9.618 -4.674 0.224 1.00 . A A . 4 LYS CG 1 1 16 5069 1 1 5 LYS H H -10.552 -0.246 0.700 1.00 . A A . 4 LYS H 1 1 16 5070 1 1 5 LYS HA H -8.447 -2.266 0.982 1.00 . A A . 4 LYS HA 1 1 16 5071 1 1 5 LYS HB2 H -10.901 -3.331 1.334 1.00 . A A . 4 LYS HB2 1 1 16 5072 1 1 5 LYS HB3 H -11.063 -3.151 -0.409 1.00 . A A . 4 LYS HB3 1 1 16 5073 1 1 5 LYS HD2 H -11.351 -5.704 -0.599 1.00 . A A . 4 LYS HD2 1 1 16 5074 1 1 5 LYS HD3 H -10.000 -6.756 -0.198 1.00 . A A . 4 LYS HD3 1 1 16 5075 1 1 5 LYS HE2 H -10.448 -6.466 2.275 1.00 . A A . 4 LYS HE2 1 1 16 5076 1 1 5 LYS HE3 H -11.814 -5.403 1.913 1.00 . A A . 4 LYS HE3 1 1 16 5077 1 1 5 LYS HG2 H -9.028 -4.667 -0.710 1.00 . A A . 4 LYS HG2 1 1 16 5078 1 1 5 LYS HG3 H -8.876 -4.821 1.032 1.00 . A A . 4 LYS HG3 1 1 16 5079 1 1 5 LYS HZ1 H -12.502 -7.669 2.304 1.00 . A A . 4 LYS HZ1 1 1 16 5080 1 1 5 LYS HZ3 H -11.567 -8.241 1.092 1.00 . A A . 4 LYS HZ3 1 1 16 5081 1 1 5 LYS N N -9.991 -0.962 1.155 1.00 . A A . 4 LYS N 1 1 16 5082 1 1 5 LYS NZ N -12.109 -7.422 1.389 1.00 . A A . 4 LYS NZ 1 1 16 5083 1 1 5 LYS O O -8.651 -2.457 -1.919 1.00 . A A . 4 LYS O 1 1 16 5084 1 1 6 HIS C C -7.008 1.307 -1.782 1.00 . A A . 5 HIS C 1 1 16 5085 1 1 6 HIS CA C -8.138 0.397 -2.348 1.00 . A A . 5 HIS CA 1 1 16 5086 1 1 6 HIS CB C -9.183 1.173 -3.191 1.00 . A A . 5 HIS CB 1 1 16 5087 1 1 6 HIS CD2 C -10.078 -0.987 -4.401 1.00 . A A . 5 HIS CD2 1 1 16 5088 1 1 6 HIS CE1 C -11.987 -0.271 -4.922 1.00 . A A . 5 HIS CE1 1 1 16 5089 1 1 6 HIS CG C -10.220 0.341 -3.953 1.00 . A A . 5 HIS CG 1 1 16 5090 1 1 6 HIS H H -9.246 0.154 -0.472 1.00 . A A . 5 HIS H 1 1 16 5091 1 1 6 HIS HA H -7.599 -0.339 -2.950 1.00 . A A . 5 HIS HA 1 1 16 5092 1 1 6 HIS HB2 H -9.704 1.902 -2.541 1.00 . A A . 5 HIS HB2 1 1 16 5093 1 1 6 HIS HB3 H -8.649 1.793 -3.936 1.00 . A A . 5 HIS HB3 1 1 16 5094 1 1 6 HIS HD2 H -9.199 -1.601 -4.271 1.00 . A A . 5 HIS HD2 1 1 16 5095 1 1 6 HIS HE1 H -12.989 -0.248 -5.326 1.00 . A A . 5 HIS HE1 1 1 16 5096 1 1 6 HIS HE2 H -11.459 -2.312 -5.459 1.00 . A A . 5 HIS HE2 1 1 16 5097 1 1 6 HIS N N -8.667 -0.326 -1.172 1.00 . A A . 5 HIS N 1 1 16 5098 1 1 6 HIS ND1 N -11.470 0.844 -4.310 1.00 . A A . 5 HIS ND1 1 1 16 5099 1 1 6 HIS NE2 N -11.234 -1.408 -5.029 1.00 . A A . 5 HIS NE2 1 1 16 5100 1 1 6 HIS O O -5.920 1.330 -2.364 1.00 . A A . 5 HIS O 1 1 16 5101 1 1 7 MET C C -5.332 1.933 0.741 1.00 . A A . 6 MET C 1 1 16 5102 1 1 7 MET CA C -6.241 2.925 -0.018 1.00 . A A . 6 MET CA 1 1 16 5103 1 1 7 MET CB C -6.847 4.035 0.880 1.00 . A A . 6 MET CB 1 1 16 5104 1 1 7 MET CE C -9.092 7.347 -0.351 1.00 . A A . 6 MET CE 1 1 16 5105 1 1 7 MET CG C -7.961 4.865 0.221 1.00 . A A . 6 MET CG 1 1 16 5106 1 1 7 MET H H -8.116 1.901 -0.181 1.00 . A A . 6 MET H 1 1 16 5107 1 1 7 MET HA H -5.606 3.358 -0.794 1.00 . A A . 6 MET HA 1 1 16 5108 1 1 7 MET HB2 H -7.244 3.605 1.821 1.00 . A A . 6 MET HB2 1 1 16 5109 1 1 7 MET HB3 H -6.031 4.709 1.199 1.00 . A A . 6 MET HB3 1 1 16 5110 1 1 7 MET HE1 H -10.086 6.950 -0.079 1.00 . A A . 6 MET HE1 1 1 16 5111 1 1 7 MET HE2 H -9.114 8.444 -0.216 1.00 . A A . 6 MET HE2 1 1 16 5112 1 1 7 MET HE3 H -8.915 7.138 -1.421 1.00 . A A . 6 MET HE3 1 1 16 5113 1 1 7 MET HG2 H -7.932 4.732 -0.875 1.00 . A A . 6 MET HG2 1 1 16 5114 1 1 7 MET HG3 H -8.953 4.489 0.534 1.00 . A A . 6 MET HG3 1 1 16 5115 1 1 7 MET N N -7.251 2.082 -0.690 1.00 . A A . 6 MET N 1 1 16 5116 1 1 7 MET O O -4.130 1.997 0.528 1.00 . A A . 6 MET O 1 1 16 5117 1 1 7 MET SD S -7.802 6.612 0.672 1.00 . A A . 6 MET SD 1 1 16 5118 1 1 8 PHE C C -4.366 -0.985 1.302 1.00 . A A . 7 PHE C 1 1 16 5119 1 1 8 PHE CA C -5.101 -0.024 2.288 1.00 . A A . 7 PHE CA 1 1 16 5120 1 1 8 PHE CB C -6.060 -0.798 3.220 1.00 . A A . 7 PHE CB 1 1 16 5121 1 1 8 PHE CD1 C -5.399 -0.502 5.653 1.00 . A A . 7 PHE CD1 1 1 16 5122 1 1 8 PHE CD2 C -7.262 0.780 4.803 1.00 . A A . 7 PHE CD2 1 1 16 5123 1 1 8 PHE CE1 C -5.555 0.101 6.897 1.00 . A A . 7 PHE CE1 1 1 16 5124 1 1 8 PHE CE2 C -7.418 1.381 6.047 1.00 . A A . 7 PHE CE2 1 1 16 5125 1 1 8 PHE CG C -6.252 -0.165 4.599 1.00 . A A . 7 PHE CG 1 1 16 5126 1 1 8 PHE CZ C -6.565 1.042 7.097 1.00 . A A . 7 PHE CZ 1 1 16 5127 1 1 8 PHE H H -6.893 0.936 1.516 1.00 . A A . 7 PHE H 1 1 16 5128 1 1 8 PHE HA H -4.333 0.495 2.867 1.00 . A A . 7 PHE HA 1 1 16 5129 1 1 8 PHE HB2 H -7.027 -0.864 2.712 1.00 . A A . 7 PHE HB2 1 1 16 5130 1 1 8 PHE HB3 H -5.769 -1.860 3.322 1.00 . A A . 7 PHE HB3 1 1 16 5131 1 1 8 PHE HD1 H -4.607 -1.224 5.510 1.00 . A A . 7 PHE HD1 1 1 16 5132 1 1 8 PHE HD2 H -7.921 1.064 3.996 1.00 . A A . 7 PHE HD2 1 1 16 5133 1 1 8 PHE HE1 H -4.879 -0.167 7.692 1.00 . A A . 7 PHE HE1 1 1 16 5134 1 1 8 PHE HE2 H -8.198 2.114 6.174 1.00 . A A . 7 PHE HE2 1 1 16 5135 1 1 8 PHE HZ H -6.682 1.512 8.062 1.00 . A A . 7 PHE HZ 1 1 16 5136 1 1 8 PHE N N -5.878 1.017 1.574 1.00 . A A . 7 PHE N 1 1 16 5137 1 1 8 PHE O O -3.275 -1.454 1.632 1.00 . A A . 7 PHE O 1 1 16 5138 1 1 9 ASP C C -3.055 -1.406 -1.477 1.00 . A A . 8 ASP C 1 1 16 5139 1 1 9 ASP CA C -4.324 -2.131 -0.929 1.00 . A A . 8 ASP CA 1 1 16 5140 1 1 9 ASP CB C -5.342 -2.407 -2.059 1.00 . A A . 8 ASP CB 1 1 16 5141 1 1 9 ASP CG C -4.945 -3.517 -3.042 1.00 . A A . 8 ASP CG 1 1 16 5142 1 1 9 ASP H H -5.960 -1.009 0.124 1.00 . A A . 8 ASP H 1 1 16 5143 1 1 9 ASP HA H -4.080 -3.115 -0.484 1.00 . A A . 8 ASP HA 1 1 16 5144 1 1 9 ASP HB2 H -6.287 -2.697 -1.593 1.00 . A A . 8 ASP HB2 1 1 16 5145 1 1 9 ASP HB3 H -5.579 -1.481 -2.616 1.00 . A A . 8 ASP HB3 1 1 16 5146 1 1 9 ASP HD2 H -4.217 -2.069 -4.120 1.00 . A A . 8 ASP HD2 1 1 16 5147 1 1 9 ASP N N -4.963 -1.277 0.119 1.00 . A A . 8 ASP N 1 1 16 5148 1 1 9 ASP O O -1.985 -2.017 -1.552 1.00 . A A . 8 ASP O 1 1 16 5149 1 1 9 ASP OD1 O -5.178 -4.710 -2.847 1.00 . A A . 8 ASP OD1 1 1 16 5150 1 1 9 ASP OD2 O -4.306 -3.025 -4.150 1.00 . A A . 8 ASP OD2 1 1 16 5151 1 1 10 ARG C C -1.047 0.938 -1.195 1.00 . A A . 9 ARG C 1 1 16 5152 1 1 10 ARG CA C -2.088 0.746 -2.321 1.00 . A A . 9 ARG CA 1 1 16 5153 1 1 10 ARG CB C -2.553 2.100 -2.910 1.00 . A A . 9 ARG CB 1 1 16 5154 1 1 10 ARG CD C -2.777 1.559 -5.483 1.00 . A A . 9 ARG CD 1 1 16 5155 1 1 10 ARG CG C -3.440 2.064 -4.182 1.00 . A A . 9 ARG CG 1 1 16 5156 1 1 10 ARG CZ C -2.129 -0.614 -6.557 1.00 . A A . 9 ARG CZ 1 1 16 5157 1 1 10 ARG H H -4.177 0.231 -1.749 1.00 . A A . 9 ARG H 1 1 16 5158 1 1 10 ARG HA H -1.574 0.168 -3.088 1.00 . A A . 9 ARG HA 1 1 16 5159 1 1 10 ARG HB2 H -3.094 2.666 -2.127 1.00 . A A . 9 ARG HB2 1 1 16 5160 1 1 10 ARG HB3 H -1.664 2.720 -3.135 1.00 . A A . 9 ARG HB3 1 1 16 5161 1 1 10 ARG HD2 H -3.356 1.940 -6.346 1.00 . A A . 9 ARG HD2 1 1 16 5162 1 1 10 ARG HD3 H -1.764 1.993 -5.587 1.00 . A A . 9 ARG HD3 1 1 16 5163 1 1 10 ARG HG2 H -4.376 1.509 -3.984 1.00 . A A . 9 ARG HG2 1 1 16 5164 1 1 10 ARG HG3 H -3.775 3.101 -4.368 1.00 . A A . 9 ARG HG3 1 1 16 5165 1 1 10 ARG HH11 H -1.503 0.977 -7.619 1.00 . A A . 9 ARG HH11 1 1 16 5166 1 1 10 ARG HH12 H -1.096 -0.685 -8.283 1.00 . A A . 9 ARG HH12 1 1 16 5167 1 1 10 ARG HH21 H -2.639 -2.344 -5.687 1.00 . A A . 9 ARG HH21 1 1 16 5168 1 1 10 ARG HH22 H -1.698 -2.439 -7.259 1.00 . A A . 9 ARG HH22 1 1 16 5169 1 1 10 ARG N N -3.205 -0.104 -1.840 1.00 . A A . 9 ARG N 1 1 16 5170 1 1 10 ARG NE N -2.726 0.078 -5.568 1.00 . A A . 9 ARG NE 1 1 16 5171 1 1 10 ARG NH1 N -1.512 -0.049 -7.594 1.00 . A A . 9 ARG NH1 1 1 16 5172 1 1 10 ARG NH2 N -2.158 -1.932 -6.495 1.00 . A A . 9 ARG NH2 1 1 16 5173 1 1 10 ARG O O 0.104 0.543 -1.380 1.00 . A A . 9 ARG O 1 1 16 5174 1 1 11 ILE C C 0.281 0.392 1.519 1.00 . A A . 10 ILE C 1 1 16 5175 1 1 11 ILE CA C -0.570 1.662 1.174 1.00 . A A . 10 ILE CA 1 1 16 5176 1 1 11 ILE CB C -1.512 2.176 2.307 1.00 . A A . 10 ILE CB 1 1 16 5177 1 1 11 ILE CD1 C -3.181 4.103 2.799 1.00 . A A . 10 ILE CD1 1 1 16 5178 1 1 11 ILE CG1 C -1.940 3.644 2.039 1.00 . A A . 10 ILE CG1 1 1 16 5179 1 1 11 ILE CG2 C -1.020 1.987 3.752 1.00 . A A . 10 ILE CG2 1 1 16 5180 1 1 11 ILE H H -2.452 1.726 0.057 1.00 . A A . 10 ILE H 1 1 16 5181 1 1 11 ILE HA H 0.133 2.460 0.925 1.00 . A A . 10 ILE HA 1 1 16 5182 1 1 11 ILE HB H -2.401 1.544 2.254 1.00 . A A . 10 ILE HB 1 1 16 5183 1 1 11 ILE HD11 H -3.996 3.365 2.700 1.00 . A A . 10 ILE HD11 1 1 16 5184 1 1 11 ILE HD12 H -2.968 4.227 3.872 1.00 . A A . 10 ILE HD12 1 1 16 5185 1 1 11 ILE HD13 H -3.546 5.059 2.389 1.00 . A A . 10 ILE HD13 1 1 16 5186 1 1 11 ILE HG12 H -1.088 4.320 2.207 1.00 . A A . 10 ILE HG12 1 1 16 5187 1 1 11 ILE HG13 H -2.188 3.764 0.970 1.00 . A A . 10 ILE HG13 1 1 16 5188 1 1 11 ILE HG21 H -0.846 0.916 3.962 1.00 . A A . 10 ILE HG21 1 1 16 5189 1 1 11 ILE HG22 H -0.087 2.541 3.938 1.00 . A A . 10 ILE HG22 1 1 16 5190 1 1 11 ILE HG23 H -1.788 2.313 4.476 1.00 . A A . 10 ILE HG23 1 1 16 5191 1 1 11 ILE N N -1.448 1.475 -0.028 1.00 . A A . 10 ILE N 1 1 16 5192 1 1 11 ILE O O 1.474 0.502 1.815 1.00 . A A . 10 ILE O 1 1 16 5193 1 1 12 GLY C C 1.448 -2.466 0.744 1.00 . A A . 11 GLY C 1 1 16 5194 1 1 12 GLY CA C 0.264 -2.101 1.680 1.00 . A A . 11 GLY CA 1 1 16 5195 1 1 12 GLY H H -1.375 -0.661 1.281 1.00 . A A . 11 GLY H 1 1 16 5196 1 1 12 GLY HA2 H 0.612 -2.119 2.724 1.00 . A A . 11 GLY HA2 1 1 16 5197 1 1 12 GLY HA3 H -0.507 -2.874 1.549 1.00 . A A . 11 GLY HA3 1 1 16 5198 1 1 12 GLY N N -0.372 -0.785 1.457 1.00 . A A . 11 GLY N 1 1 16 5199 1 1 12 GLY O O 2.243 -3.339 1.095 1.00 . A A . 11 GLY O 1 1 16 5200 1 1 13 LYS C C 2.870 -0.680 -2.206 1.00 . A A . 12 LYS C 1 1 16 5201 1 1 13 LYS CA C 2.561 -2.034 -1.466 1.00 . A A . 12 LYS CA 1 1 16 5202 1 1 13 LYS CB C 2.312 -3.280 -2.363 1.00 . A A . 12 LYS CB 1 1 16 5203 1 1 13 LYS CD C 3.357 -5.098 -3.911 1.00 . A A . 12 LYS CD 1 1 16 5204 1 1 13 LYS CE C 3.287 -6.356 -3.021 1.00 . A A . 12 LYS CE 1 1 16 5205 1 1 13 LYS CG C 3.555 -3.778 -3.137 1.00 . A A . 12 LYS CG 1 1 16 5206 1 1 13 LYS H H 0.629 -1.338 -0.657 1.00 . A A . 12 LYS H 1 1 16 5207 1 1 13 LYS HA H 3.487 -2.172 -0.885 1.00 . A A . 12 LYS HA 1 1 16 5208 1 1 13 LYS HB2 H 1.951 -4.112 -1.729 1.00 . A A . 12 LYS HB2 1 1 16 5209 1 1 13 LYS HB3 H 1.485 -3.077 -3.070 1.00 . A A . 12 LYS HB3 1 1 16 5210 1 1 13 LYS HD2 H 2.453 -5.023 -4.546 1.00 . A A . 12 LYS HD2 1 1 16 5211 1 1 13 LYS HD3 H 4.201 -5.206 -4.618 1.00 . A A . 12 LYS HD3 1 1 16 5212 1 1 13 LYS HE2 H 4.194 -6.434 -2.392 1.00 . A A . 12 LYS HE2 1 1 16 5213 1 1 13 LYS HE3 H 2.432 -6.297 -2.324 1.00 . A A . 12 LYS HE3 1 1 16 5214 1 1 13 LYS HG2 H 3.858 -3.003 -3.864 1.00 . A A . 12 LYS HG2 1 1 16 5215 1 1 13 LYS HG3 H 4.417 -3.880 -2.451 1.00 . A A . 12 LYS HG3 1 1 16 5216 1 1 13 LYS HZ1 H 2.283 -7.556 -4.367 1.00 . A A . 12 LYS HZ1 1 1 16 5217 1 1 13 LYS HZ3 H 3.081 -8.400 -3.217 1.00 . A A . 12 LYS HZ3 1 1 16 5218 1 1 13 LYS N N 1.481 -1.872 -0.464 1.00 . A A . 12 LYS N 1 1 16 5219 1 1 13 LYS NZ N 3.157 -7.581 -3.829 1.00 . A A . 12 LYS NZ 1 1 16 5220 1 1 13 LYS O O 2.996 -0.608 -3.432 1.00 . A A . 12 LYS O 1 1 16 5221 1 1 14 ASP C C 4.391 2.164 -0.754 1.00 . A A . 13 ASP C 1 1 16 5222 1 1 14 ASP CA C 3.378 1.768 -1.814 1.00 . A A . 13 ASP CA 1 1 16 5223 1 1 14 ASP CB C 2.196 2.723 -1.969 1.00 . A A . 13 ASP CB 1 1 16 5224 1 1 14 ASP CG C 2.491 3.992 -2.777 1.00 . A A . 13 ASP CG 1 1 16 5225 1 1 14 ASP H H 2.602 0.290 -0.468 1.00 . A A . 13 ASP H 1 1 16 5226 1 1 14 ASP HA H 3.965 1.720 -2.717 1.00 . A A . 13 ASP HA 1 1 16 5227 1 1 14 ASP HB2 H 1.365 2.170 -2.408 1.00 . A A . 13 ASP HB2 1 1 16 5228 1 1 14 ASP HB3 H 1.846 2.978 -0.969 1.00 . A A . 13 ASP HB3 1 1 16 5229 1 1 14 ASP HD2 H 3.153 5.802 -2.499 1.00 . A A . 13 ASP HD2 1 1 16 5230 1 1 14 ASP N N 3.027 0.389 -1.400 1.00 . A A . 13 ASP N 1 1 16 5231 1 1 14 ASP O O 5.527 2.446 -1.131 1.00 . A A . 13 ASP O 1 1 16 5232 1 1 14 ASP OD1 O 2.320 4.076 -3.993 1.00 . A A . 13 ASP OD1 1 1 16 5233 1 1 14 ASP OD2 O 2.968 5.009 -1.990 1.00 . A A . 13 ASP OD2 1 1 16 5234 1 1 15 VAL C C 5.277 1.281 2.437 1.00 . A A . 14 VAL C 1 1 16 5235 1 1 15 VAL CA C 4.955 2.585 1.613 1.00 . A A . 14 VAL CA 1 1 16 5236 1 1 15 VAL CB C 4.645 3.856 2.412 1.00 . A A . 14 VAL CB 1 1 16 5237 1 1 15 VAL CG1 C 4.617 5.070 1.470 1.00 . A A . 14 VAL CG1 1 1 16 5238 1 1 15 VAL CG2 C 3.352 3.742 3.241 1.00 . A A . 14 VAL CG2 1 1 16 5239 1 1 15 VAL H H 3.065 1.889 0.716 1.00 . A A . 14 VAL H 1 1 16 5240 1 1 15 VAL HA H 5.921 2.775 1.118 1.00 . A A . 14 VAL HA 1 1 16 5241 1 1 15 VAL HB H 5.516 3.984 3.075 1.00 . A A . 14 VAL HB 1 1 16 5242 1 1 15 VAL HG11 H 3.775 4.995 0.756 1.00 . A A . 14 VAL HG11 1 1 16 5243 1 1 15 VAL HG12 H 4.526 6.011 2.029 1.00 . A A . 14 VAL HG12 1 1 16 5244 1 1 15 VAL HG13 H 5.545 5.105 0.867 1.00 . A A . 14 VAL HG13 1 1 16 5245 1 1 15 VAL HG21 H 3.172 4.653 3.832 1.00 . A A . 14 VAL HG21 1 1 16 5246 1 1 15 VAL HG22 H 2.476 3.568 2.588 1.00 . A A . 14 VAL HG22 1 1 16 5247 1 1 15 VAL HG23 H 3.404 2.889 3.942 1.00 . A A . 14 VAL HG23 1 1 16 5248 1 1 15 VAL N N 3.980 2.289 0.527 1.00 . A A . 14 VAL N 1 1 16 5249 1 1 15 VAL O O 5.285 1.161 3.664 1.00 . A A . 14 VAL O 1 1 16 5250 1 1 16 TYR C C 6.958 -1.238 0.505 1.00 . A A . 15 TYR C 1 1 16 5251 1 1 16 TYR CA C 6.033 -1.038 1.750 1.00 . A A . 15 TYR CA 1 1 16 5252 1 1 16 TYR CB C 4.905 -2.069 1.929 1.00 . A A . 15 TYR CB 1 1 16 5253 1 1 16 TYR CD1 C 6.036 -3.984 3.164 1.00 . A A . 15 TYR CD1 1 1 16 5254 1 1 16 TYR CD2 C 5.413 -4.322 0.854 1.00 . A A . 15 TYR CD2 1 1 16 5255 1 1 16 TYR CE1 C 6.647 -5.234 3.181 1.00 . A A . 15 TYR CE1 1 1 16 5256 1 1 16 TYR CE2 C 6.026 -5.571 0.873 1.00 . A A . 15 TYR CE2 1 1 16 5257 1 1 16 TYR CG C 5.417 -3.517 2.000 1.00 . A A . 15 TYR CG 1 1 16 5258 1 1 16 TYR CZ C 6.644 -6.029 2.036 1.00 . A A . 15 TYR CZ 1 1 16 5259 1 1 16 TYR H H 5.190 0.691 0.661 1.00 . A A . 15 TYR H 1 1 16 5260 1 1 16 TYR HA H 6.665 -1.040 2.645 1.00 . A A . 15 TYR HA 1 1 16 5261 1 1 16 TYR HB2 H 4.320 -1.831 2.839 1.00 . A A . 15 TYR HB2 1 1 16 5262 1 1 16 TYR HB3 H 4.197 -1.938 1.100 1.00 . A A . 15 TYR HB3 1 1 16 5263 1 1 16 TYR HD1 H 6.094 -3.355 4.040 1.00 . A A . 15 TYR HD1 1 1 16 5264 1 1 16 TYR HD2 H 4.987 -3.959 -0.072 1.00 . A A . 15 TYR HD2 1 1 16 5265 1 1 16 TYR HE1 H 7.149 -5.561 4.080 1.00 . A A . 15 TYR HE1 1 1 16 5266 1 1 16 TYR HE2 H 6.045 -6.163 -0.030 1.00 . A A . 15 TYR HE2 1 1 16 5267 1 1 16 TYR HH H 7.186 -7.651 1.176 1.00 . A A . 15 TYR HH 1 1 16 5268 1 1 16 TYR N N 5.595 0.346 1.562 1.00 . A A . 15 TYR N 1 1 16 5269 1 1 16 TYR O O 8.042 -1.791 0.687 1.00 . A A . 15 TYR O 1 1 16 5270 1 1 16 TYR OH O 7.276 -7.247 2.042 1.00 . A A . 15 TYR OH 1 1 16 5271 1 1 17 ASP C C 8.505 0.117 -1.856 1.00 . A A . 16 ASP C 1 1 16 5272 1 1 17 ASP CA C 7.399 -0.982 -1.947 1.00 . A A . 16 ASP CA 1 1 16 5273 1 1 17 ASP CB C 6.571 -1.013 -3.239 1.00 . A A . 16 ASP CB 1 1 16 5274 1 1 17 ASP CG C 7.351 -1.383 -4.506 1.00 . A A . 16 ASP CG 1 1 16 5275 1 1 17 ASP H H 5.668 -0.325 -0.734 1.00 . A A . 16 ASP H 1 1 16 5276 1 1 17 ASP HA H 7.925 -1.921 -1.857 1.00 . A A . 16 ASP HA 1 1 16 5277 1 1 17 ASP HB2 H 5.731 -1.725 -3.138 1.00 . A A . 16 ASP HB2 1 1 16 5278 1 1 17 ASP HB3 H 6.111 -0.030 -3.349 1.00 . A A . 16 ASP HB3 1 1 16 5279 1 1 17 ASP HD2 H 8.340 -0.516 -5.942 1.00 . A A . 16 ASP HD2 1 1 16 5280 1 1 17 ASP N N 6.532 -0.884 -0.746 1.00 . A A . 16 ASP N 1 1 16 5281 1 1 17 ASP O O 9.667 -0.195 -2.128 1.00 . A A . 16 ASP O 1 1 16 5282 1 1 17 ASP OD1 O 7.507 -2.542 -4.890 1.00 . A A . 16 ASP OD1 1 1 16 5283 1 1 17 ASP OD2 O 7.852 -0.280 -5.150 1.00 . A A . 16 ASP OD2 1 1 16 5284 1 1 18 LYS C C 10.008 2.226 0.011 1.00 . A A . 17 LYS C 1 1 16 5285 1 1 18 LYS CA C 9.152 2.465 -1.305 1.00 . A A . 17 LYS CA 1 1 16 5286 1 1 18 LYS CB C 8.445 3.848 -1.246 1.00 . A A . 17 LYS CB 1 1 16 5287 1 1 18 LYS CD C 6.877 5.554 -2.370 1.00 . A A . 17 LYS CD 1 1 16 5288 1 1 18 LYS CE C 6.144 5.960 -3.662 1.00 . A A . 17 LYS CE 1 1 16 5289 1 1 18 LYS CG C 7.761 4.305 -2.557 1.00 . A A . 17 LYS CG 1 1 16 5290 1 1 18 LYS H H 7.200 1.514 -1.140 1.00 . A A . 17 LYS H 1 1 16 5291 1 1 18 LYS HA H 9.819 2.451 -2.175 1.00 . A A . 17 LYS HA 1 1 16 5292 1 1 18 LYS HB2 H 7.709 3.846 -0.418 1.00 . A A . 17 LYS HB2 1 1 16 5293 1 1 18 LYS HB3 H 9.182 4.624 -0.964 1.00 . A A . 17 LYS HB3 1 1 16 5294 1 1 18 LYS HD2 H 6.134 5.360 -1.572 1.00 . A A . 17 LYS HD2 1 1 16 5295 1 1 18 LYS HD3 H 7.500 6.394 -2.008 1.00 . A A . 17 LYS HD3 1 1 16 5296 1 1 18 LYS HE2 H 6.870 6.171 -4.469 1.00 . A A . 17 LYS HE2 1 1 16 5297 1 1 18 LYS HE3 H 5.509 5.129 -4.023 1.00 . A A . 17 LYS HE3 1 1 16 5298 1 1 18 LYS HG2 H 8.533 4.498 -3.326 1.00 . A A . 17 LYS HG2 1 1 16 5299 1 1 18 LYS HG3 H 7.138 3.486 -2.963 1.00 . A A . 17 LYS HG3 1 1 16 5300 1 1 18 LYS HZ1 H 5.880 7.950 -3.182 1.00 . A A . 17 LYS HZ1 1 1 16 5301 1 1 18 LYS HZ3 H 4.847 7.419 -4.332 1.00 . A A . 17 LYS HZ3 1 1 16 5302 1 1 18 LYS N N 8.157 1.379 -1.495 1.00 . A A . 17 LYS N 1 1 16 5303 1 1 18 LYS NZ N 5.299 7.149 -3.451 1.00 . A A . 17 LYS NZ 1 1 16 5304 1 1 18 LYS O O 11.077 2.823 0.160 1.00 . A A . 17 LYS O 1 1 16 5305 1 1 19 VAL C C 11.242 -0.147 1.938 1.00 . A A . 18 VAL C 1 1 16 5306 1 1 19 VAL CA C 10.193 0.964 2.208 1.00 . A A . 18 VAL CA 1 1 16 5307 1 1 19 VAL CB C 9.161 0.701 3.358 1.00 . A A . 18 VAL CB 1 1 16 5308 1 1 19 VAL CG1 C 9.682 -0.056 4.584 1.00 . A A . 18 VAL CG1 1 1 16 5309 1 1 19 VAL CG2 C 8.433 1.979 3.818 1.00 . A A . 18 VAL CG2 1 1 16 5310 1 1 19 VAL H H 8.804 0.757 0.523 1.00 . A A . 18 VAL H 1 1 16 5311 1 1 19 VAL HA H 10.770 1.817 2.493 1.00 . A A . 18 VAL HA 1 1 16 5312 1 1 19 VAL HB H 8.400 0.031 2.984 1.00 . A A . 18 VAL HB 1 1 16 5313 1 1 19 VAL HG11 H 10.498 0.490 5.084 1.00 . A A . 18 VAL HG11 1 1 16 5314 1 1 19 VAL HG12 H 10.051 -1.055 4.287 1.00 . A A . 18 VAL HG12 1 1 16 5315 1 1 19 VAL HG13 H 8.865 -0.234 5.308 1.00 . A A . 18 VAL HG13 1 1 16 5316 1 1 19 VAL HG21 H 7.661 1.749 4.577 1.00 . A A . 18 VAL HG21 1 1 16 5317 1 1 19 VAL HG22 H 7.906 2.463 2.976 1.00 . A A . 18 VAL HG22 1 1 16 5318 1 1 19 VAL HG23 H 9.126 2.717 4.255 1.00 . A A . 18 VAL HG23 1 1 16 5319 1 1 19 VAL N N 9.522 1.357 0.942 1.00 . A A . 18 VAL N 1 1 16 5320 1 1 19 VAL O O 12.405 0.017 2.320 1.00 . A A . 18 VAL O 1 1 16 5321 1 1 20 LYS C C 12.862 -1.971 -0.116 1.00 . A A . 19 LYS C 1 1 16 5322 1 1 20 LYS CA C 11.750 -2.374 0.931 1.00 . A A . 19 LYS CA 1 1 16 5323 1 1 20 LYS CB C 10.846 -3.533 0.427 1.00 . A A . 19 LYS CB 1 1 16 5324 1 1 20 LYS CD C 10.515 -6.036 -0.032 1.00 . A A . 19 LYS CD 1 1 16 5325 1 1 20 LYS CE C 11.168 -7.428 -0.099 1.00 . A A . 19 LYS CE 1 1 16 5326 1 1 20 LYS CG C 11.516 -4.922 0.338 1.00 . A A . 19 LYS CG 1 1 16 5327 1 1 20 LYS H H 9.850 -1.279 1.037 1.00 . A A . 19 LYS H 1 1 16 5328 1 1 20 LYS HA H 12.238 -2.701 1.862 1.00 . A A . 19 LYS HA 1 1 16 5329 1 1 20 LYS HB2 H 9.976 -3.640 1.105 1.00 . A A . 19 LYS HB2 1 1 16 5330 1 1 20 LYS HB3 H 10.414 -3.264 -0.558 1.00 . A A . 19 LYS HB3 1 1 16 5331 1 1 20 LYS HD2 H 9.691 -6.049 0.708 1.00 . A A . 19 LYS HD2 1 1 16 5332 1 1 20 LYS HD3 H 10.043 -5.797 -1.005 1.00 . A A . 19 LYS HD3 1 1 16 5333 1 1 20 LYS HE2 H 11.979 -7.439 -0.851 1.00 . A A . 19 LYS HE2 1 1 16 5334 1 1 20 LYS HE3 H 11.638 -7.681 0.870 1.00 . A A . 19 LYS HE3 1 1 16 5335 1 1 20 LYS HG2 H 12.333 -4.898 -0.407 1.00 . A A . 19 LYS HG2 1 1 16 5336 1 1 20 LYS HG3 H 11.994 -5.162 1.307 1.00 . A A . 19 LYS HG3 1 1 16 5337 1 1 20 LYS HZ1 H 9.458 -8.518 0.286 1.00 . A A . 19 LYS HZ1 1 1 16 5338 1 1 20 LYS HZ3 H 10.631 -9.391 -0.446 1.00 . A A . 19 LYS HZ3 1 1 16 5339 1 1 20 LYS N N 10.837 -1.264 1.304 1.00 . A A . 19 LYS N 1 1 16 5340 1 1 20 LYS NZ N 10.182 -8.468 -0.440 1.00 . A A . 19 LYS NZ 1 1 16 5341 1 1 20 LYS O O 13.828 -2.718 -0.293 1.00 . A A . 19 LYS O 1 1 16 5342 1 1 21 GLU C C 14.773 0.600 -1.064 1.00 . A A . 20 GLU C 1 1 16 5343 1 1 21 GLU CA C 13.686 -0.253 -1.756 1.00 . A A . 20 GLU CA 1 1 16 5344 1 1 21 GLU CB C 12.887 0.438 -2.879 1.00 . A A . 20 GLU CB 1 1 16 5345 1 1 21 GLU CD C 12.836 1.560 -5.174 1.00 . A A . 20 GLU CD 1 1 16 5346 1 1 21 GLU CG C 13.709 0.925 -4.089 1.00 . A A . 20 GLU CG 1 1 16 5347 1 1 21 GLU H H 12.047 -0.155 -0.365 1.00 . A A . 20 GLU H 1 1 16 5348 1 1 21 GLU HA H 14.183 -1.086 -2.199 1.00 . A A . 20 GLU HA 1 1 16 5349 1 1 21 GLU HB2 H 12.090 -0.245 -3.228 1.00 . A A . 20 GLU HB2 1 1 16 5350 1 1 21 GLU HB3 H 12.362 1.285 -2.426 1.00 . A A . 20 GLU HB3 1 1 16 5351 1 1 21 GLU HE2 H 13.047 3.201 -4.147 1.00 . A A . 20 GLU HE2 1 1 16 5352 1 1 21 GLU HG2 H 14.471 1.656 -3.759 1.00 . A A . 20 GLU HG2 1 1 16 5353 1 1 21 GLU HG3 H 14.269 0.079 -4.525 1.00 . A A . 20 GLU HG3 1 1 16 5354 1 1 21 GLU N N 12.724 -0.799 -0.784 1.00 . A A . 20 GLU N 1 1 16 5355 1 1 21 GLU O O 15.955 0.255 -1.065 1.00 . A A . 20 GLU O 1 1 16 5356 1 1 21 GLU OE1 O 12.389 0.935 -6.135 1.00 . A A . 20 GLU OE1 1 1 16 5357 1 1 21 GLU OE2 O 12.615 2.895 -4.948 1.00 . A A . 20 GLU OE2 1 1 16 5358 1 1 22 NH2 HN1 H 14.324 1.313 0.587 1.00 . A A . 21 NH2 HN1 1 1 16 5359 1 1 22 NH2 HN2 H 13.570 2.100 -0.809 1.00 . A A . 21 NH2 HN2 1 1 16 5360 1 1 22 NH2 N N 14.387 1.655 -0.374 1.00 . A A . 21 NH2 N 1 1 17 5361 1 1 2 GLU C C -13.227 -2.841 -1.693 1.00 . A A . 1 ACE C 1 1 17 5362 1 1 2 GLU CA C -14.165 -0.613 -1.084 1.00 . A A . 1 ACE CA 1 1 17 5363 1 1 2 GLU CB C -15.429 -0.259 -0.222 1.00 . A A . 1 ACE CB 1 1 17 5364 1 1 2 GLU CD C -17.948 -0.534 0.152 1.00 . A A . 1 ACE CD 1 1 17 5365 1 1 2 GLU CG C -16.762 -0.772 -0.785 1.00 . A A . 1 ACE CG 1 1 17 5366 1 1 2 GLU H H -14.634 -2.595 -0.335 1.00 . A A . 1 ACE H 1 1 17 5367 1 1 2 GLU HA H -14.458 -0.460 -2.140 1.00 . A A . 1 ACE HA 1 1 17 5368 1 1 2 GLU HB2 H -15.265 -0.565 0.829 1.00 . A A . 1 ACE HB2 1 1 17 5369 1 1 2 GLU HB3 H -15.553 0.833 -0.162 1.00 . A A . 1 ACE HB3 1 1 17 5370 1 1 2 GLU HE2 H -18.849 -1.397 1.647 1.00 . A A . 1 ACE HE2 1 1 17 5371 1 1 2 GLU HG2 H -16.942 -0.250 -1.744 1.00 . A A . 1 ACE HG2 1 1 17 5372 1 1 2 GLU HG3 H -16.678 -1.845 -1.023 1.00 . A A . 1 ACE HG3 1 1 17 5373 1 1 2 GLU N N -13.924 -2.064 -0.850 1.00 . A A . 1 ACE N 1 1 17 5374 1 1 2 GLU O O -12.561 -2.415 -2.637 1.00 . A A . 1 ACE O 1 1 17 5375 1 1 2 GLU OE1 O -18.672 0.459 0.090 1.00 . A A . 1 ACE OE1 1 1 17 5376 1 1 2 GLU OE2 O -18.104 -1.550 1.061 1.00 . A A . 1 ACE OE2 1 1 17 5377 1 1 3 SER C C -11.085 2.104 0.943 1.00 . A A . 2 SER C 1 1 17 5378 1 1 3 SER CA C -12.138 2.571 -0.082 1.00 . A A . 2 SER CA 1 1 17 5379 1 1 3 SER CB C -12.855 3.839 0.395 1.00 . A A . 2 SER CB 1 1 17 5380 1 1 3 SER H H -14.173 1.744 -0.433 1.00 . A A . 2 SER H 1 1 17 5381 1 1 3 SER HA H -11.634 2.859 -1.003 1.00 . A A . 2 SER HA 1 1 17 5382 1 1 3 SER HB2 H -13.749 4.045 -0.210 1.00 . A A . 2 SER HB2 1 1 17 5383 1 1 3 SER HB3 H -13.228 3.668 1.406 1.00 . A A . 2 SER HB3 1 1 17 5384 1 1 3 SER HG H -11.718 5.082 -0.534 1.00 . A A . 2 SER HG 1 1 17 5385 1 1 3 SER N N -13.167 1.551 -0.433 1.00 . A A . 2 SER N 1 1 17 5386 1 1 3 SER O O -9.895 2.356 0.760 1.00 . A A . 2 SER O 1 1 17 5387 1 1 3 SER OG O -11.988 4.968 0.380 1.00 . A A . 2 SER OG 1 1 17 5388 1 1 4 ALA C C -9.937 -0.492 2.762 1.00 . A A . 3 ALA C 1 1 17 5389 1 1 4 ALA CA C -10.662 0.868 3.060 1.00 . A A . 3 ALA CA 1 1 17 5390 1 1 4 ALA CB C -11.440 0.816 4.373 1.00 . A A . 3 ALA CB 1 1 17 5391 1 1 4 ALA H H -12.582 1.413 2.008 1.00 . A A . 3 ALA H 1 1 17 5392 1 1 4 ALA HA H -9.824 1.573 3.117 1.00 . A A . 3 ALA HA 1 1 17 5393 1 1 4 ALA HB1 H -11.868 1.801 4.625 1.00 . A A . 3 ALA HB1 1 1 17 5394 1 1 4 ALA HB2 H -10.781 0.508 5.203 1.00 . A A . 3 ALA HB2 1 1 17 5395 1 1 4 ALA HB3 H -12.267 0.083 4.303 1.00 . A A . 3 ALA HB3 1 1 17 5396 1 1 4 ALA N N -11.558 1.440 2.014 1.00 . A A . 3 ALA N 1 1 17 5397 1 1 4 ALA O O -9.382 -1.171 3.630 1.00 . A A . 3 ALA O 1 1 17 5398 1 1 5 LYS C C -8.901 -1.612 -0.680 1.00 . A A . 4 LYS C 1 1 17 5399 1 1 5 LYS CA C -9.362 -1.975 0.795 1.00 . A A . 4 LYS CA 1 1 17 5400 1 1 5 LYS CB C -10.298 -3.203 0.896 1.00 . A A . 4 LYS CB 1 1 17 5401 1 1 5 LYS CD C -8.613 -5.046 1.634 1.00 . A A . 4 LYS CD 1 1 17 5402 1 1 5 LYS CE C -8.040 -6.456 1.387 1.00 . A A . 4 LYS CE 1 1 17 5403 1 1 5 LYS CG C -9.686 -4.594 0.616 1.00 . A A . 4 LYS CG 1 1 17 5404 1 1 5 LYS H H -10.557 -0.141 0.993 1.00 . A A . 4 LYS H 1 1 17 5405 1 1 5 LYS HA H -8.417 -2.109 1.344 1.00 . A A . 4 LYS HA 1 1 17 5406 1 1 5 LYS HB2 H -10.762 -3.229 1.899 1.00 . A A . 4 LYS HB2 1 1 17 5407 1 1 5 LYS HB3 H -11.136 -3.026 0.198 1.00 . A A . 4 LYS HB3 1 1 17 5408 1 1 5 LYS HD2 H -7.784 -4.313 1.672 1.00 . A A . 4 LYS HD2 1 1 17 5409 1 1 5 LYS HD3 H -9.058 -5.028 2.646 1.00 . A A . 4 LYS HD3 1 1 17 5410 1 1 5 LYS HE2 H -7.450 -6.768 2.267 1.00 . A A . 4 LYS HE2 1 1 17 5411 1 1 5 LYS HE3 H -8.856 -7.196 1.297 1.00 . A A . 4 LYS HE3 1 1 17 5412 1 1 5 LYS HG2 H -10.507 -5.335 0.613 1.00 . A A . 4 LYS HG2 1 1 17 5413 1 1 5 LYS HG3 H -9.273 -4.627 -0.408 1.00 . A A . 4 LYS HG3 1 1 17 5414 1 1 5 LYS HZ1 H -6.402 -5.859 0.277 1.00 . A A . 4 LYS HZ1 1 1 17 5415 1 1 5 LYS HZ3 H -7.697 -6.248 -0.641 1.00 . A A . 4 LYS HZ3 1 1 17 5416 1 1 5 LYS N N -9.978 -0.821 1.480 1.00 . A A . 4 LYS N 1 1 17 5417 1 1 5 LYS NZ N -7.172 -6.531 0.194 1.00 . A A . 4 LYS NZ 1 1 17 5418 1 1 5 LYS O O -8.754 -2.459 -1.563 1.00 . A A . 4 LYS O 1 1 17 5419 1 1 6 HIS C C -7.057 1.313 -1.618 1.00 . A A . 5 HIS C 1 1 17 5420 1 1 6 HIS CA C -8.194 0.370 -2.110 1.00 . A A . 5 HIS CA 1 1 17 5421 1 1 6 HIS CB C -9.278 1.099 -2.943 1.00 . A A . 5 HIS CB 1 1 17 5422 1 1 6 HIS CD2 C -9.832 -0.988 -4.423 1.00 . A A . 5 HIS CD2 1 1 17 5423 1 1 6 HIS CE1 C -11.799 -0.468 -4.963 1.00 . A A . 5 HIS CE1 1 1 17 5424 1 1 6 HIS CG C -10.197 0.209 -3.777 1.00 . A A . 5 HIS CG 1 1 17 5425 1 1 6 HIS H H -9.271 0.203 -0.218 1.00 . A A . 5 HIS H 1 1 17 5426 1 1 6 HIS HA H -7.665 -0.388 -2.694 1.00 . A A . 5 HIS HA 1 1 17 5427 1 1 6 HIS HB2 H -9.879 1.751 -2.280 1.00 . A A . 5 HIS HB2 1 1 17 5428 1 1 6 HIS HB3 H -8.786 1.798 -3.644 1.00 . A A . 5 HIS HB3 1 1 17 5429 1 1 6 HIS HD2 H -8.864 -1.462 -4.361 1.00 . A A . 5 HIS HD2 1 1 17 5430 1 1 6 HIS HE1 H -12.769 -0.515 -5.434 1.00 . A A . 5 HIS HE1 1 1 17 5431 1 1 6 HIS HE2 H -10.932 -2.277 -5.805 1.00 . A A . 5 HIS HE2 1 1 17 5432 1 1 6 HIS N N -8.685 -0.306 -0.891 1.00 . A A . 5 HIS N 1 1 17 5433 1 1 6 HIS ND1 N -11.492 0.580 -4.131 1.00 . A A . 5 HIS ND1 1 1 17 5434 1 1 6 HIS NE2 N -10.876 -1.451 -5.199 1.00 . A A . 5 HIS NE2 1 1 17 5435 1 1 6 HIS O O -5.982 1.312 -2.221 1.00 . A A . 5 HIS O 1 1 17 5436 1 1 7 MET C C -5.355 2.083 0.845 1.00 . A A . 6 MET C 1 1 17 5437 1 1 7 MET CA C -6.278 3.029 0.044 1.00 . A A . 6 MET CA 1 1 17 5438 1 1 7 MET CB C -6.880 4.183 0.890 1.00 . A A . 6 MET CB 1 1 17 5439 1 1 7 MET CE C -6.758 7.295 -0.660 1.00 . A A . 6 MET CE 1 1 17 5440 1 1 7 MET CG C -8.030 4.956 0.218 1.00 . A A . 6 MET CG 1 1 17 5441 1 1 7 MET H H -8.148 1.982 -0.044 1.00 . A A . 6 MET H 1 1 17 5442 1 1 7 MET HA H -5.653 3.420 -0.762 1.00 . A A . 6 MET HA 1 1 17 5443 1 1 7 MET HB2 H -7.243 3.805 1.865 1.00 . A A . 6 MET HB2 1 1 17 5444 1 1 7 MET HB3 H -6.067 4.887 1.146 1.00 . A A . 6 MET HB3 1 1 17 5445 1 1 7 MET HE1 H -5.782 6.792 -0.539 1.00 . A A . 6 MET HE1 1 1 17 5446 1 1 7 MET HE2 H -7.131 7.089 -1.680 1.00 . A A . 6 MET HE2 1 1 17 5447 1 1 7 MET HE3 H -6.595 8.384 -0.569 1.00 . A A . 6 MET HE3 1 1 17 5448 1 1 7 MET HG2 H -8.040 4.769 -0.871 1.00 . A A . 6 MET HG2 1 1 17 5449 1 1 7 MET HG3 H -9.001 4.572 0.582 1.00 . A A . 6 MET HG3 1 1 17 5450 1 1 7 MET N N -7.290 2.143 -0.567 1.00 . A A . 6 MET N 1 1 17 5451 1 1 7 MET O O -4.156 2.137 0.613 1.00 . A A . 6 MET O 1 1 17 5452 1 1 7 MET SD S -7.938 6.729 0.584 1.00 . A A . 6 MET SD 1 1 17 5453 1 1 8 PHE C C -4.383 -0.802 1.558 1.00 . A A . 7 PHE C 1 1 17 5454 1 1 8 PHE CA C -5.099 0.216 2.498 1.00 . A A . 7 PHE CA 1 1 17 5455 1 1 8 PHE CB C -6.042 -0.499 3.491 1.00 . A A . 7 PHE CB 1 1 17 5456 1 1 8 PHE CD1 C -7.232 1.171 4.986 1.00 . A A . 7 PHE CD1 1 1 17 5457 1 1 8 PHE CD2 C -5.349 -0.043 5.890 1.00 . A A . 7 PHE CD2 1 1 17 5458 1 1 8 PHE CE1 C -7.374 1.850 6.190 1.00 . A A . 7 PHE CE1 1 1 17 5459 1 1 8 PHE CE2 C -5.491 0.638 7.094 1.00 . A A . 7 PHE CE2 1 1 17 5460 1 1 8 PHE CG C -6.219 0.221 4.829 1.00 . A A . 7 PHE CG 1 1 17 5461 1 1 8 PHE CZ C -6.504 1.585 7.247 1.00 . A A . 7 PHE CZ 1 1 17 5462 1 1 8 PHE H H -6.902 1.132 1.700 1.00 . A A . 7 PHE H 1 1 17 5463 1 1 8 PHE HA H -4.320 0.764 3.032 1.00 . A A . 7 PHE HA 1 1 17 5464 1 1 8 PHE HB2 H -7.014 -0.601 3.001 1.00 . A A . 7 PHE HB2 1 1 17 5465 1 1 8 PHE HB3 H -5.745 -1.551 3.657 1.00 . A A . 7 PHE HB3 1 1 17 5466 1 1 8 PHE HD1 H -7.904 1.399 4.172 1.00 . A A . 7 PHE HD1 1 1 17 5467 1 1 8 PHE HD2 H -4.554 -0.767 5.783 1.00 . A A . 7 PHE HD2 1 1 17 5468 1 1 8 PHE HE1 H -8.158 2.586 6.281 1.00 . A A . 7 PHE HE1 1 1 17 5469 1 1 8 PHE HE2 H -4.802 0.427 7.895 1.00 . A A . 7 PHE HE2 1 1 17 5470 1 1 8 PHE HZ H -6.611 2.116 8.182 1.00 . A A . 7 PHE HZ 1 1 17 5471 1 1 8 PHE N N -5.887 1.214 1.737 1.00 . A A . 7 PHE N 1 1 17 5472 1 1 8 PHE O O -3.285 -1.250 1.894 1.00 . A A . 7 PHE O 1 1 17 5473 1 1 9 ASP C C -3.117 -1.389 -1.206 1.00 . A A . 8 ASP C 1 1 17 5474 1 1 9 ASP CA C -4.380 -2.081 -0.601 1.00 . A A . 8 ASP CA 1 1 17 5475 1 1 9 ASP CB C -5.418 -2.419 -1.696 1.00 . A A . 8 ASP CB 1 1 17 5476 1 1 9 ASP CG C -5.033 -3.576 -2.627 1.00 . A A . 8 ASP CG 1 1 17 5477 1 1 9 ASP H H -5.998 -0.898 0.409 1.00 . A A . 8 ASP H 1 1 17 5478 1 1 9 ASP HA H -4.133 -3.039 -0.102 1.00 . A A . 8 ASP HA 1 1 17 5479 1 1 9 ASP HB2 H -6.364 -2.669 -1.205 1.00 . A A . 8 ASP HB2 1 1 17 5480 1 1 9 ASP HB3 H -5.651 -1.527 -2.306 1.00 . A A . 8 ASP HB3 1 1 17 5481 1 1 9 ASP HD2 H -5.754 -4.721 -1.227 1.00 . A A . 8 ASP HD2 1 1 17 5482 1 1 9 ASP N N -5.002 -1.166 0.406 1.00 . A A . 8 ASP N 1 1 17 5483 1 1 9 ASP O O -2.049 -2.004 -1.261 1.00 . A A . 8 ASP O 1 1 17 5484 1 1 9 ASP OD1 O -4.501 -3.413 -3.724 1.00 . A A . 8 ASP OD1 1 1 17 5485 1 1 9 ASP OD2 O -5.346 -4.800 -2.093 1.00 . A A . 8 ASP OD2 1 1 17 5486 1 1 10 ARG C C -1.104 0.965 -1.092 1.00 . A A . 9 ARG C 1 1 17 5487 1 1 10 ARG CA C -2.167 0.719 -2.183 1.00 . A A . 9 ARG CA 1 1 17 5488 1 1 10 ARG CB C -2.655 2.050 -2.795 1.00 . A A . 9 ARG CB 1 1 17 5489 1 1 10 ARG CD C -3.866 3.247 -4.723 1.00 . A A . 9 ARG CD 1 1 17 5490 1 1 10 ARG CG C -3.355 1.903 -4.164 1.00 . A A . 9 ARG CG 1 1 17 5491 1 1 10 ARG CZ C -5.775 2.919 -6.331 1.00 . A A . 9 ARG CZ 1 1 17 5492 1 1 10 ARG H H -4.242 0.235 -1.549 1.00 . A A . 9 ARG H 1 1 17 5493 1 1 10 ARG HA H -1.673 0.113 -2.944 1.00 . A A . 9 ARG HA 1 1 17 5494 1 1 10 ARG HB2 H -3.318 2.572 -2.078 1.00 . A A . 9 ARG HB2 1 1 17 5495 1 1 10 ARG HB3 H -1.785 2.721 -2.925 1.00 . A A . 9 ARG HB3 1 1 17 5496 1 1 10 ARG HD2 H -4.574 3.721 -4.016 1.00 . A A . 9 ARG HD2 1 1 17 5497 1 1 10 ARG HD3 H -3.022 3.958 -4.803 1.00 . A A . 9 ARG HD3 1 1 17 5498 1 1 10 ARG HG2 H -2.649 1.443 -4.882 1.00 . A A . 9 ARG HG2 1 1 17 5499 1 1 10 ARG HG3 H -4.198 1.193 -4.079 1.00 . A A . 9 ARG HG3 1 1 17 5500 1 1 10 ARG HH11 H -6.399 2.930 -4.419 1.00 . A A . 9 ARG HH11 1 1 17 5501 1 1 10 ARG HH12 H -7.678 2.702 -5.715 1.00 . A A . 9 ARG HH12 1 1 17 5502 1 1 10 ARG HH21 H -5.410 2.871 -8.299 1.00 . A A . 9 ARG HH21 1 1 17 5503 1 1 10 ARG HH22 H -7.154 2.671 -7.762 1.00 . A A . 9 ARG HH22 1 1 17 5504 1 1 10 ARG N N -3.273 -0.109 -1.640 1.00 . A A . 9 ARG N 1 1 17 5505 1 1 10 ARG NE N -4.464 3.101 -6.075 1.00 . A A . 9 ARG NE 1 1 17 5506 1 1 10 ARG NH1 N -6.715 2.843 -5.391 1.00 . A A . 9 ARG NH1 1 1 17 5507 1 1 10 ARG NH2 N -6.151 2.809 -7.592 1.00 . A A . 9 ARG NH2 1 1 17 5508 1 1 10 ARG O O 0.040 0.553 -1.275 1.00 . A A . 9 ARG O 1 1 17 5509 1 1 11 ILE C C 0.273 0.576 1.623 1.00 . A A . 10 ILE C 1 1 17 5510 1 1 11 ILE CA C -0.584 1.825 1.224 1.00 . A A . 10 ILE CA 1 1 17 5511 1 1 11 ILE CB C -1.508 2.402 2.341 1.00 . A A . 10 ILE CB 1 1 17 5512 1 1 11 ILE CD1 C -3.165 4.358 2.753 1.00 . A A . 10 ILE CD1 1 1 17 5513 1 1 11 ILE CG1 C -1.937 3.855 1.999 1.00 . A A . 10 ILE CG1 1 1 17 5514 1 1 11 ILE CG2 C -0.993 2.292 3.786 1.00 . A A . 10 ILE CG2 1 1 17 5515 1 1 11 ILE H H -2.483 1.834 0.133 1.00 . A A . 10 ILE H 1 1 17 5516 1 1 11 ILE HA H 0.115 2.607 0.922 1.00 . A A . 10 ILE HA 1 1 17 5517 1 1 11 ILE HB H -2.399 1.772 2.336 1.00 . A A . 10 ILE HB 1 1 17 5518 1 1 11 ILE HD11 H -3.533 5.293 2.298 1.00 . A A . 10 ILE HD11 1 1 17 5519 1 1 11 ILE HD12 H -3.984 3.620 2.704 1.00 . A A . 10 ILE HD12 1 1 17 5520 1 1 11 ILE HD13 H -2.936 4.538 3.815 1.00 . A A . 10 ILE HD13 1 1 17 5521 1 1 11 ILE HG12 H -1.080 4.535 2.120 1.00 . A A . 10 ILE HG12 1 1 17 5522 1 1 11 ILE HG13 H -2.200 3.916 0.929 1.00 . A A . 10 ILE HG13 1 1 17 5523 1 1 11 ILE HG21 H -1.749 2.659 4.504 1.00 . A A . 10 ILE HG21 1 1 17 5524 1 1 11 ILE HG22 H -0.056 2.853 3.927 1.00 . A A . 10 ILE HG22 1 1 17 5525 1 1 11 ILE HG23 H -0.818 1.233 4.051 1.00 . A A . 10 ILE HG23 1 1 17 5526 1 1 11 ILE N N -1.483 1.573 0.048 1.00 . A A . 10 ILE N 1 1 17 5527 1 1 11 ILE O O 1.471 0.700 1.891 1.00 . A A . 10 ILE O 1 1 17 5528 1 1 12 GLY C C 1.420 -2.322 0.984 1.00 . A A . 11 GLY C 1 1 17 5529 1 1 12 GLY CA C 0.256 -1.903 1.921 1.00 . A A . 11 GLY CA 1 1 17 5530 1 1 12 GLY H H -1.387 -0.485 1.468 1.00 . A A . 11 GLY H 1 1 17 5531 1 1 12 GLY HA2 H 0.626 -1.862 2.957 1.00 . A A . 11 GLY HA2 1 1 17 5532 1 1 12 GLY HA3 H -0.518 -2.681 1.849 1.00 . A A . 11 GLY HA3 1 1 17 5533 1 1 12 GLY N N -0.382 -0.601 1.637 1.00 . A A . 11 GLY N 1 1 17 5534 1 1 12 GLY O O 2.228 -3.162 1.380 1.00 . A A . 11 GLY O 1 1 17 5535 1 1 13 LYS C C 2.807 -0.723 -2.076 1.00 . A A . 12 LYS C 1 1 17 5536 1 1 13 LYS CA C 2.477 -2.041 -1.282 1.00 . A A . 12 LYS CA 1 1 17 5537 1 1 13 LYS CB C 2.200 -3.265 -2.204 1.00 . A A . 12 LYS CB 1 1 17 5538 1 1 13 LYS CD C 2.028 -5.815 -2.516 1.00 . A A . 12 LYS CD 1 1 17 5539 1 1 13 LYS CE C 2.048 -7.191 -1.826 1.00 . A A . 12 LYS CE 1 1 17 5540 1 1 13 LYS CG C 2.213 -4.652 -1.522 1.00 . A A . 12 LYS CG 1 1 17 5541 1 1 13 LYS H H 0.568 -1.289 -0.474 1.00 . A A . 12 LYS H 1 1 17 5542 1 1 13 LYS HA H 3.420 -2.178 -0.727 1.00 . A A . 12 LYS HA 1 1 17 5543 1 1 13 LYS HB2 H 1.238 -3.119 -2.733 1.00 . A A . 12 LYS HB2 1 1 17 5544 1 1 13 LYS HB3 H 2.966 -3.285 -3.004 1.00 . A A . 12 LYS HB3 1 1 17 5545 1 1 13 LYS HD2 H 1.072 -5.683 -3.060 1.00 . A A . 12 LYS HD2 1 1 17 5546 1 1 13 LYS HD3 H 2.824 -5.771 -3.285 1.00 . A A . 12 LYS HD3 1 1 17 5547 1 1 13 LYS HE2 H 3.003 -7.340 -1.289 1.00 . A A . 12 LYS HE2 1 1 17 5548 1 1 13 LYS HE3 H 1.250 -7.253 -1.063 1.00 . A A . 12 LYS HE3 1 1 17 5549 1 1 13 LYS HG2 H 3.164 -4.782 -0.974 1.00 . A A . 12 LYS HG2 1 1 17 5550 1 1 13 LYS HG3 H 1.414 -4.697 -0.759 1.00 . A A . 12 LYS HG3 1 1 17 5551 1 1 13 LYS HZ1 H 2.605 -8.244 -3.512 1.00 . A A . 12 LYS HZ1 1 1 17 5552 1 1 13 LYS HZ3 H 0.985 -8.164 -3.304 1.00 . A A . 12 LYS HZ3 1 1 17 5553 1 1 13 LYS N N 1.419 -1.818 -0.266 1.00 . A A . 12 LYS N 1 1 17 5554 1 1 13 LYS NZ N 1.869 -8.284 -2.797 1.00 . A A . 12 LYS NZ 1 1 17 5555 1 1 13 LYS O O 2.965 -0.715 -3.301 1.00 . A A . 12 LYS O 1 1 17 5556 1 1 14 ASP C C 4.373 2.184 -0.831 1.00 . A A . 13 ASP C 1 1 17 5557 1 1 14 ASP CA C 3.322 1.739 -1.832 1.00 . A A . 13 ASP CA 1 1 17 5558 1 1 14 ASP CB C 2.141 2.692 -2.012 1.00 . A A . 13 ASP CB 1 1 17 5559 1 1 14 ASP CG C 2.418 3.920 -2.884 1.00 . A A . 13 ASP CG 1 1 17 5560 1 1 14 ASP H H 2.550 0.343 -0.388 1.00 . A A . 13 ASP H 1 1 17 5561 1 1 14 ASP HA H 3.883 1.633 -2.747 1.00 . A A . 13 ASP HA 1 1 17 5562 1 1 14 ASP HB2 H 1.293 2.124 -2.397 1.00 . A A . 13 ASP HB2 1 1 17 5563 1 1 14 ASP HB3 H 1.822 3.008 -1.019 1.00 . A A . 13 ASP HB3 1 1 17 5564 1 1 14 ASP HD2 H 1.887 2.776 -4.366 1.00 . A A . 13 ASP HD2 1 1 17 5565 1 1 14 ASP N N 2.956 0.392 -1.332 1.00 . A A . 13 ASP N 1 1 17 5566 1 1 14 ASP O O 5.501 2.434 -1.256 1.00 . A A . 13 ASP O 1 1 17 5567 1 1 14 ASP OD1 O 2.809 4.996 -2.433 1.00 . A A . 13 ASP OD1 1 1 17 5568 1 1 14 ASP OD2 O 2.185 3.675 -4.213 1.00 . A A . 13 ASP OD2 1 1 17 5569 1 1 15 VAL C C 5.331 1.472 2.383 1.00 . A A . 14 VAL C 1 1 17 5570 1 1 15 VAL CA C 5.007 2.729 1.491 1.00 . A A . 14 VAL CA 1 1 17 5571 1 1 15 VAL CB C 4.739 4.052 2.217 1.00 . A A . 14 VAL CB 1 1 17 5572 1 1 15 VAL CG1 C 4.695 5.204 1.202 1.00 . A A . 14 VAL CG1 1 1 17 5573 1 1 15 VAL CG2 C 3.473 4.010 3.092 1.00 . A A . 14 VAL CG2 1 1 17 5574 1 1 15 VAL H H 3.086 2.002 0.689 1.00 . A A . 14 VAL H 1 1 17 5575 1 1 15 VAL HA H 5.963 2.870 0.959 1.00 . A A . 14 VAL HA 1 1 17 5576 1 1 15 VAL HB H 5.634 4.208 2.842 1.00 . A A . 14 VAL HB 1 1 17 5577 1 1 15 VAL HG11 H 5.599 5.184 0.563 1.00 . A A . 14 VAL HG11 1 1 17 5578 1 1 15 VAL HG12 H 3.825 5.099 0.524 1.00 . A A . 14 VAL HG12 1 1 17 5579 1 1 15 VAL HG13 H 4.638 6.180 1.702 1.00 . A A . 14 VAL HG13 1 1 17 5580 1 1 15 VAL HG21 H 2.574 3.805 2.480 1.00 . A A . 14 VAL HG21 1 1 17 5581 1 1 15 VAL HG22 H 3.537 3.204 3.845 1.00 . A A . 14 VAL HG22 1 1 17 5582 1 1 15 VAL HG23 H 3.322 4.960 3.628 1.00 . A A . 14 VAL HG23 1 1 17 5583 1 1 15 VAL N N 3.998 2.384 0.451 1.00 . A A . 14 VAL N 1 1 17 5584 1 1 15 VAL O O 5.371 1.426 3.614 1.00 . A A . 14 VAL O 1 1 17 5585 1 1 16 TYR C C 6.914 -1.189 0.566 1.00 . A A . 15 TYR C 1 1 17 5586 1 1 16 TYR CA C 6.029 -0.896 1.820 1.00 . A A . 15 TYR CA 1 1 17 5587 1 1 16 TYR CB C 4.893 -1.898 2.080 1.00 . A A . 15 TYR CB 1 1 17 5588 1 1 16 TYR CD1 C 5.956 -3.733 3.487 1.00 . A A . 15 TYR CD1 1 1 17 5589 1 1 16 TYR CD2 C 5.427 -4.222 1.181 1.00 . A A . 15 TYR CD2 1 1 17 5590 1 1 16 TYR CE1 C 6.545 -4.987 3.617 1.00 . A A . 15 TYR CE1 1 1 17 5591 1 1 16 TYR CE2 C 6.019 -5.476 1.313 1.00 . A A . 15 TYR CE2 1 1 17 5592 1 1 16 TYR CG C 5.394 -3.341 2.268 1.00 . A A . 15 TYR CG 1 1 17 5593 1 1 16 TYR CZ C 6.578 -5.860 2.531 1.00 . A A . 15 TYR CZ 1 1 17 5594 1 1 16 TYR H H 5.172 0.768 0.651 1.00 . A A . 15 TYR H 1 1 17 5595 1 1 16 TYR HA H 6.680 -0.850 2.700 1.00 . A A . 15 TYR HA 1 1 17 5596 1 1 16 TYR HB2 H 4.304 -1.583 2.963 1.00 . A A . 15 TYR HB2 1 1 17 5597 1 1 16 TYR HB3 H 4.194 -1.829 1.235 1.00 . A A . 15 TYR HB3 1 1 17 5598 1 1 16 TYR HD1 H 5.987 -3.044 4.318 1.00 . A A . 15 TYR HD1 1 1 17 5599 1 1 16 TYR HD2 H 5.053 -3.916 0.213 1.00 . A A . 15 TYR HD2 1 1 17 5600 1 1 16 TYR HE1 H 7.001 -5.260 4.558 1.00 . A A . 15 TYR HE1 1 1 17 5601 1 1 16 TYR HE2 H 6.067 -6.130 0.456 1.00 . A A . 15 TYR HE2 1 1 17 5602 1 1 16 TYR HH H 7.525 -7.180 3.543 1.00 . A A . 15 TYR HH 1 1 17 5603 1 1 16 TYR N N 5.608 0.480 1.558 1.00 . A A . 15 TYR N 1 1 17 5604 1 1 16 TYR O O 7.993 -1.749 0.753 1.00 . A A . 15 TYR O 1 1 17 5605 1 1 16 TYR OH O 7.187 -7.084 2.649 1.00 . A A . 15 TYR OH 1 1 17 5606 1 1 17 ASP C C 8.418 -0.018 -1.908 1.00 . A A . 16 ASP C 1 1 17 5607 1 1 17 ASP CA C 7.288 -1.094 -1.907 1.00 . A A . 16 ASP CA 1 1 17 5608 1 1 17 ASP CB C 6.426 -1.191 -3.173 1.00 . A A . 16 ASP CB 1 1 17 5609 1 1 17 ASP CG C 7.176 -1.617 -4.442 1.00 . A A . 16 ASP CG 1 1 17 5610 1 1 17 ASP H H 5.604 -0.331 -0.694 1.00 . A A . 16 ASP H 1 1 17 5611 1 1 17 ASP HA H 7.796 -2.036 -1.769 1.00 . A A . 16 ASP HA 1 1 17 5612 1 1 17 ASP HB2 H 5.591 -1.901 -3.016 1.00 . A A . 16 ASP HB2 1 1 17 5613 1 1 17 ASP HB3 H 5.959 -0.215 -3.318 1.00 . A A . 16 ASP HB3 1 1 17 5614 1 1 17 ASP HD2 H 8.102 -0.812 -5.954 1.00 . A A . 16 ASP HD2 1 1 17 5615 1 1 17 ASP N N 6.459 -0.905 -0.693 1.00 . A A . 16 ASP N 1 1 17 5616 1 1 17 ASP O O 9.567 -0.382 -2.177 1.00 . A A . 16 ASP O 1 1 17 5617 1 1 17 ASP OD1 O 7.345 -2.791 -4.766 1.00 . A A . 16 ASP OD1 1 1 17 5618 1 1 17 ASP OD2 O 7.632 -0.541 -5.161 1.00 . A A . 16 ASP OD2 1 1 17 5619 1 1 18 LYS C C 10.025 2.164 -0.220 1.00 . A A . 17 LYS C 1 1 17 5620 1 1 18 LYS CA C 9.156 2.331 -1.537 1.00 . A A . 17 LYS CA 1 1 17 5621 1 1 18 LYS CB C 8.540 3.755 -1.616 1.00 . A A . 17 LYS CB 1 1 17 5622 1 1 18 LYS CD C 8.773 4.152 -4.230 1.00 . A A . 17 LYS CD 1 1 17 5623 1 1 18 LYS CE C 9.948 5.153 -4.282 1.00 . A A . 17 LYS CE 1 1 17 5624 1 1 18 LYS CG C 7.888 4.167 -2.960 1.00 . A A . 17 LYS CG 1 1 17 5625 1 1 18 LYS H H 7.172 1.464 -1.259 1.00 . A A . 17 LYS H 1 1 17 5626 1 1 18 LYS HA H 9.818 2.198 -2.398 1.00 . A A . 17 LYS HA 1 1 17 5627 1 1 18 LYS HB2 H 7.794 3.880 -0.808 1.00 . A A . 17 LYS HB2 1 1 17 5628 1 1 18 LYS HB3 H 9.319 4.505 -1.378 1.00 . A A . 17 LYS HB3 1 1 17 5629 1 1 18 LYS HD2 H 9.128 3.125 -4.441 1.00 . A A . 17 LYS HD2 1 1 17 5630 1 1 18 LYS HD3 H 8.109 4.385 -5.083 1.00 . A A . 17 LYS HD3 1 1 17 5631 1 1 18 LYS HE2 H 10.243 5.309 -5.335 1.00 . A A . 17 LYS HE2 1 1 17 5632 1 1 18 LYS HE3 H 9.631 6.146 -3.912 1.00 . A A . 17 LYS HE3 1 1 17 5633 1 1 18 LYS HG2 H 7.015 3.515 -3.144 1.00 . A A . 17 LYS HG2 1 1 17 5634 1 1 18 LYS HG3 H 7.456 5.178 -2.842 1.00 . A A . 17 LYS HG3 1 1 17 5635 1 1 18 LYS HZ1 H 11.451 3.790 -3.891 1.00 . A A . 17 LYS HZ1 1 1 17 5636 1 1 18 LYS HZ3 H 10.902 4.549 -2.551 1.00 . A A . 17 LYS HZ3 1 1 17 5637 1 1 18 LYS N N 8.114 1.278 -1.632 1.00 . A A . 17 LYS N 1 1 17 5638 1 1 18 LYS NZ N 11.140 4.702 -3.538 1.00 . A A . 17 LYS NZ 1 1 17 5639 1 1 18 LYS O O 11.108 2.748 -0.127 1.00 . A A . 17 LYS O 1 1 17 5640 1 1 19 VAL C C 11.247 -0.103 1.839 1.00 . A A . 18 VAL C 1 1 17 5641 1 1 19 VAL CA C 10.228 1.048 2.051 1.00 . A A . 18 VAL CA 1 1 17 5642 1 1 19 VAL CB C 9.217 0.889 3.237 1.00 . A A . 18 VAL CB 1 1 17 5643 1 1 19 VAL CG1 C 9.751 0.212 4.504 1.00 . A A . 18 VAL CG1 1 1 17 5644 1 1 19 VAL CG2 C 8.523 2.210 3.620 1.00 . A A . 18 VAL CG2 1 1 17 5645 1 1 19 VAL H H 8.795 0.763 0.414 1.00 . A A . 18 VAL H 1 1 17 5646 1 1 19 VAL HA H 10.829 1.906 2.266 1.00 . A A . 18 VAL HA 1 1 17 5647 1 1 19 VAL HB H 8.438 0.207 2.927 1.00 . A A . 18 VAL HB 1 1 17 5648 1 1 19 VAL HG11 H 10.587 0.776 4.946 1.00 . A A . 18 VAL HG11 1 1 17 5649 1 1 19 VAL HG12 H 8.947 0.102 5.255 1.00 . A A . 18 VAL HG12 1 1 17 5650 1 1 19 VAL HG13 H 10.096 -0.813 4.272 1.00 . A A . 18 VAL HG13 1 1 17 5651 1 1 19 VAL HG21 H 9.241 2.964 3.985 1.00 . A A . 18 VAL HG21 1 1 17 5652 1 1 19 VAL HG22 H 7.766 2.052 4.411 1.00 . A A . 18 VAL HG22 1 1 17 5653 1 1 19 VAL HG23 H 7.985 2.643 2.756 1.00 . A A . 18 VAL HG23 1 1 17 5654 1 1 19 VAL N N 9.541 1.367 0.774 1.00 . A A . 18 VAL N 1 1 17 5655 1 1 19 VAL O O 12.420 0.057 2.194 1.00 . A A . 18 VAL O 1 1 17 5656 1 1 20 LYS C C 12.789 -2.097 -0.117 1.00 . A A . 19 LYS C 1 1 17 5657 1 1 20 LYS CA C 11.687 -2.403 0.972 1.00 . A A . 19 LYS CA 1 1 17 5658 1 1 20 LYS CB C 10.746 -3.569 0.559 1.00 . A A . 19 LYS CB 1 1 17 5659 1 1 20 LYS CD C 10.343 -6.087 0.280 1.00 . A A . 19 LYS CD 1 1 17 5660 1 1 20 LYS CE C 10.958 -7.498 0.302 1.00 . A A . 19 LYS CE 1 1 17 5661 1 1 20 LYS CG C 11.379 -4.978 0.556 1.00 . A A . 19 LYS CG 1 1 17 5662 1 1 20 LYS H H 9.815 -1.255 1.031 1.00 . A A . 19 LYS H 1 1 17 5663 1 1 20 LYS HA H 12.182 -2.680 1.915 1.00 . A A . 19 LYS HA 1 1 17 5664 1 1 20 LYS HB2 H 9.884 -3.607 1.254 1.00 . A A . 19 LYS HB2 1 1 17 5665 1 1 20 LYS HB3 H 10.307 -3.356 -0.436 1.00 . A A . 19 LYS HB3 1 1 17 5666 1 1 20 LYS HD2 H 9.531 -6.026 1.031 1.00 . A A . 19 LYS HD2 1 1 17 5667 1 1 20 LYS HD3 H 9.862 -5.904 -0.701 1.00 . A A . 19 LYS HD3 1 1 17 5668 1 1 20 LYS HE2 H 11.755 -7.584 -0.459 1.00 . A A . 19 LYS HE2 1 1 17 5669 1 1 20 LYS HE3 H 11.437 -7.696 1.279 1.00 . A A . 19 LYS HE3 1 1 17 5670 1 1 20 LYS HG2 H 12.184 -5.027 -0.200 1.00 . A A . 19 LYS HG2 1 1 17 5671 1 1 20 LYS HG3 H 11.866 -5.164 1.532 1.00 . A A . 19 LYS HG3 1 1 17 5672 1 1 20 LYS HZ1 H 10.375 -9.460 0.037 1.00 . A A . 19 LYS HZ1 1 1 17 5673 1 1 20 LYS HZ3 H 9.531 -8.405 -0.883 1.00 . A A . 19 LYS HZ3 1 1 17 5674 1 1 20 LYS N N 10.806 -1.248 1.285 1.00 . A A . 19 LYS N 1 1 17 5675 1 1 20 LYS NZ N 9.939 -8.532 0.050 1.00 . A A . 19 LYS NZ 1 1 17 5676 1 1 20 LYS O O 13.731 -2.881 -0.263 1.00 . A A . 19 LYS O 1 1 17 5677 1 1 21 GLU C C 14.784 0.313 -1.254 1.00 . A A . 20 GLU C 1 1 17 5678 1 1 21 GLU CA C 13.632 -0.510 -1.873 1.00 . A A . 20 GLU CA 1 1 17 5679 1 1 21 GLU CB C 12.835 0.174 -3.004 1.00 . A A . 20 GLU CB 1 1 17 5680 1 1 21 GLU CD C 14.212 -0.531 -5.076 1.00 . A A . 20 GLU CD 1 1 17 5681 1 1 21 GLU CG C 13.623 0.619 -4.251 1.00 . A A . 20 GLU CG 1 1 17 5682 1 1 21 GLU H H 12.016 -0.278 -0.470 1.00 . A A . 20 GLU H 1 1 17 5683 1 1 21 GLU HA H 14.071 -1.382 -2.304 1.00 . A A . 20 GLU HA 1 1 17 5684 1 1 21 GLU HB2 H 11.993 -0.471 -3.316 1.00 . A A . 20 GLU HB2 1 1 17 5685 1 1 21 GLU HB3 H 12.362 1.057 -2.565 1.00 . A A . 20 GLU HB3 1 1 17 5686 1 1 21 GLU HE2 H 13.676 -1.776 -6.474 1.00 . A A . 20 GLU HE2 1 1 17 5687 1 1 21 GLU HG2 H 12.953 1.222 -4.890 1.00 . A A . 20 GLU HG2 1 1 17 5688 1 1 21 GLU HG3 H 14.432 1.308 -3.947 1.00 . A A . 20 GLU HG3 1 1 17 5689 1 1 21 GLU N N 12.672 -0.965 -0.854 1.00 . A A . 20 GLU N 1 1 17 5690 1 1 21 GLU O O 15.948 -0.087 -1.291 1.00 . A A . 20 GLU O 1 1 17 5691 1 1 21 GLU OE1 O 15.369 -0.931 -4.949 1.00 . A A . 20 GLU OE1 1 1 17 5692 1 1 21 GLU OE2 O 13.304 -1.055 -5.960 1.00 . A A . 20 GLU OE2 1 1 17 5693 1 1 22 NH2 HN1 H 14.385 1.103 0.377 1.00 . A A . 21 NH2 HN1 1 1 17 5694 1 1 22 NH2 HN2 H 13.688 1.896 -1.042 1.00 . A A . 21 NH2 HN2 1 1 17 5695 1 1 22 NH2 N N 14.474 1.411 -0.593 1.00 . A A . 21 NH2 N 1 1 18 5696 1 1 2 GLU C C -13.195 -2.849 -1.842 1.00 . A A . 1 ACE C 1 1 18 5697 1 1 2 GLU CA C -14.174 -0.657 -1.183 1.00 . A A . 1 ACE CA 1 1 18 5698 1 1 2 GLU CB C -15.461 -0.350 -0.339 1.00 . A A . 1 ACE CB 1 1 18 5699 1 1 2 GLU CD C -17.062 -2.408 -0.529 1.00 . A A . 1 ACE CD 1 1 18 5700 1 1 2 GLU CG C -16.812 -0.924 -0.823 1.00 . A A . 1 ACE CG 1 1 18 5701 1 1 2 GLU H H -14.579 -2.656 -0.461 1.00 . A A . 1 ACE H 1 1 18 5702 1 1 2 GLU HA H -14.471 -0.488 -2.234 1.00 . A A . 1 ACE HA 1 1 18 5703 1 1 2 GLU HB2 H -15.286 -0.577 0.730 1.00 . A A . 1 ACE HB2 1 1 18 5704 1 1 2 GLU HB3 H -15.627 0.737 -0.347 1.00 . A A . 1 ACE HB3 1 1 18 5705 1 1 2 GLU HE2 H -17.534 -3.560 0.968 1.00 . A A . 1 ACE HE2 1 1 18 5706 1 1 2 GLU HG2 H -17.621 -0.336 -0.353 1.00 . A A . 1 ACE HG2 1 1 18 5707 1 1 2 GLU HG3 H -16.916 -0.733 -1.907 1.00 . A A . 1 ACE HG3 1 1 18 5708 1 1 2 GLU N N -13.885 -2.100 -0.969 1.00 . A A . 1 ACE N 1 1 18 5709 1 1 2 GLU O O -12.558 -2.395 -2.792 1.00 . A A . 1 ACE O 1 1 18 5710 1 1 2 GLU OE1 O -16.985 -3.290 -1.383 1.00 . A A . 1 ACE OE1 1 1 18 5711 1 1 2 GLU OE2 O -17.378 -2.630 0.787 1.00 . A A . 1 ACE OE2 1 1 18 5712 1 1 3 SER C C -11.137 2.071 0.907 1.00 . A A . 2 SER C 1 1 18 5713 1 1 3 SER CA C -12.183 2.547 -0.120 1.00 . A A . 2 SER CA 1 1 18 5714 1 1 3 SER CB C -12.900 3.814 0.358 1.00 . A A . 2 SER CB 1 1 18 5715 1 1 3 SER H H -14.210 1.741 -0.492 1.00 . A A . 2 SER H 1 1 18 5716 1 1 3 SER HA H -11.670 2.842 -1.036 1.00 . A A . 2 SER HA 1 1 18 5717 1 1 3 SER HB2 H -13.792 4.025 -0.249 1.00 . A A . 2 SER HB2 1 1 18 5718 1 1 3 SER HB3 H -13.275 3.642 1.368 1.00 . A A . 2 SER HB3 1 1 18 5719 1 1 3 SER HG H -12.551 5.679 0.678 1.00 . A A . 2 SER HG 1 1 18 5720 1 1 3 SER N N -13.209 1.528 -0.486 1.00 . A A . 2 SER N 1 1 18 5721 1 1 3 SER O O -9.944 2.314 0.727 1.00 . A A . 2 SER O 1 1 18 5722 1 1 3 SER OG O -12.031 4.942 0.350 1.00 . A A . 2 SER OG 1 1 18 5723 1 1 4 ALA C C -9.984 -0.520 2.714 1.00 . A A . 3 ALA C 1 1 18 5724 1 1 4 ALA CA C -10.726 0.828 3.021 1.00 . A A . 3 ALA CA 1 1 18 5725 1 1 4 ALA CB C -11.513 0.754 4.327 1.00 . A A . 3 ALA CB 1 1 18 5726 1 1 4 ALA H H -12.640 1.394 1.970 1.00 . A A . 3 ALA H 1 1 18 5727 1 1 4 ALA HA H -9.889 1.535 3.091 1.00 . A A . 3 ALA HA 1 1 18 5728 1 1 4 ALA HB1 H -10.859 0.442 5.160 1.00 . A A . 3 ALA HB1 1 1 18 5729 1 1 4 ALA HB2 H -12.334 0.017 4.243 1.00 . A A . 3 ALA HB2 1 1 18 5730 1 1 4 ALA HB3 H -11.951 1.733 4.588 1.00 . A A . 3 ALA HB3 1 1 18 5731 1 1 4 ALA N N -11.615 1.407 1.974 1.00 . A A . 3 ALA N 1 1 18 5732 1 1 4 ALA O O -9.409 -1.185 3.580 1.00 . A A . 3 ALA O 1 1 18 5733 1 1 5 LYS C C -8.909 -1.621 -0.708 1.00 . A A . 4 LYS C 1 1 18 5734 1 1 5 LYS CA C -9.419 -2.005 0.746 1.00 . A A . 4 LYS CA 1 1 18 5735 1 1 5 LYS CB C -10.342 -3.249 0.731 1.00 . A A . 4 LYS CB 1 1 18 5736 1 1 5 LYS CD C -9.396 -4.602 2.783 1.00 . A A . 4 LYS CD 1 1 18 5737 1 1 5 LYS CE C -8.751 -5.782 2.030 1.00 . A A . 4 LYS CE 1 1 18 5738 1 1 5 LYS CG C -10.616 -3.973 2.071 1.00 . A A . 4 LYS CG 1 1 18 5739 1 1 5 LYS H H -10.616 -0.174 0.949 1.00 . A A . 4 LYS H 1 1 18 5740 1 1 5 LYS HA H -8.479 -2.159 1.297 1.00 . A A . 4 LYS HA 1 1 18 5741 1 1 5 LYS HB2 H -11.306 -2.936 0.293 1.00 . A A . 4 LYS HB2 1 1 18 5742 1 1 5 LYS HB3 H -9.939 -3.988 0.017 1.00 . A A . 4 LYS HB3 1 1 18 5743 1 1 5 LYS HD2 H -8.641 -3.820 2.986 1.00 . A A . 4 LYS HD2 1 1 18 5744 1 1 5 LYS HD3 H -9.728 -4.947 3.781 1.00 . A A . 4 LYS HD3 1 1 18 5745 1 1 5 LYS HE2 H -9.502 -6.568 1.829 1.00 . A A . 4 LYS HE2 1 1 18 5746 1 1 5 LYS HE3 H -8.371 -5.455 1.045 1.00 . A A . 4 LYS HE3 1 1 18 5747 1 1 5 LYS HG2 H -11.107 -3.268 2.767 1.00 . A A . 4 LYS HG2 1 1 18 5748 1 1 5 LYS HG3 H -11.373 -4.760 1.898 1.00 . A A . 4 LYS HG3 1 1 18 5749 1 1 5 LYS HZ1 H -7.204 -7.129 2.263 1.00 . A A . 4 LYS HZ1 1 1 18 5750 1 1 5 LYS HZ3 H -6.898 -5.669 2.933 1.00 . A A . 4 LYS HZ3 1 1 18 5751 1 1 5 LYS N N -10.043 -0.858 1.436 1.00 . A A . 4 LYS N 1 1 18 5752 1 1 5 LYS NZ N -7.637 -6.367 2.797 1.00 . A A . 4 LYS NZ 1 1 18 5753 1 1 5 LYS O O -8.703 -2.468 -1.580 1.00 . A A . 4 LYS O 1 1 18 5754 1 1 6 HIS C C -7.062 1.300 -1.594 1.00 . A A . 5 HIS C 1 1 18 5755 1 1 6 HIS CA C -8.190 0.369 -2.121 1.00 . A A . 5 HIS CA 1 1 18 5756 1 1 6 HIS CB C -9.242 1.118 -2.976 1.00 . A A . 5 HIS CB 1 1 18 5757 1 1 6 HIS CD2 C -9.786 -0.942 -4.496 1.00 . A A . 5 HIS CD2 1 1 18 5758 1 1 6 HIS CE1 C -11.743 -0.405 -5.053 1.00 . A A . 5 HIS CE1 1 1 18 5759 1 1 6 HIS CG C -10.156 0.244 -3.833 1.00 . A A . 5 HIS CG 1 1 18 5760 1 1 6 HIS H H -9.306 0.197 -0.251 1.00 . A A . 5 HIS H 1 1 18 5761 1 1 6 HIS HA H -7.654 -0.386 -2.702 1.00 . A A . 5 HIS HA 1 1 18 5762 1 1 6 HIS HB2 H -9.848 1.779 -2.326 1.00 . A A . 5 HIS HB2 1 1 18 5763 1 1 6 HIS HB3 H -8.720 1.808 -3.666 1.00 . A A . 5 HIS HB3 1 1 18 5764 1 1 6 HIS HD2 H -8.819 -1.419 -4.431 1.00 . A A . 5 HIS HD2 1 1 18 5765 1 1 6 HIS HE1 H -12.707 -0.440 -5.540 1.00 . A A . 5 HIS HE1 1 1 18 5766 1 1 6 HIS HE2 H -10.870 -2.201 -5.918 1.00 . A A . 5 HIS HE2 1 1 18 5767 1 1 6 HIS N N -8.714 -0.310 -0.916 1.00 . A A . 5 HIS N 1 1 18 5768 1 1 6 HIS ND1 N -11.445 0.626 -4.197 1.00 . A A . 5 HIS ND1 1 1 18 5769 1 1 6 HIS NE2 N -10.820 -1.387 -5.295 1.00 . A A . 5 HIS NE2 1 1 18 5770 1 1 6 HIS O O -5.966 1.277 -2.157 1.00 . A A . 5 HIS O 1 1 18 5771 1 1 7 MET C C -5.392 2.069 0.880 1.00 . A A . 6 MET C 1 1 18 5772 1 1 7 MET CA C -6.313 3.017 0.080 1.00 . A A . 6 MET CA 1 1 18 5773 1 1 7 MET CB C -6.922 4.158 0.940 1.00 . A A . 6 MET CB 1 1 18 5774 1 1 7 MET CE C -6.883 7.344 -0.476 1.00 . A A . 6 MET CE 1 1 18 5775 1 1 7 MET CG C -8.087 4.925 0.288 1.00 . A A . 6 MET CG 1 1 18 5776 1 1 7 MET H H -8.180 1.970 -0.043 1.00 . A A . 6 MET H 1 1 18 5777 1 1 7 MET HA H -5.684 3.422 -0.716 1.00 . A A . 6 MET HA 1 1 18 5778 1 1 7 MET HB2 H -7.272 3.769 1.916 1.00 . A A . 6 MET HB2 1 1 18 5779 1 1 7 MET HB3 H -6.114 4.868 1.194 1.00 . A A . 6 MET HB3 1 1 18 5780 1 1 7 MET HE1 H -5.904 6.835 -0.405 1.00 . A A . 6 MET HE1 1 1 18 5781 1 1 7 MET HE2 H -6.720 8.424 -0.305 1.00 . A A . 6 MET HE2 1 1 18 5782 1 1 7 MET HE3 H -7.267 7.216 -1.504 1.00 . A A . 6 MET HE3 1 1 18 5783 1 1 7 MET HG2 H -8.081 4.782 -0.807 1.00 . A A . 6 MET HG2 1 1 18 5784 1 1 7 MET HG3 H -9.049 4.499 0.626 1.00 . A A . 6 MET HG3 1 1 18 5785 1 1 7 MET N N -7.317 2.141 -0.556 1.00 . A A . 6 MET N 1 1 18 5786 1 1 7 MET O O -4.190 2.138 0.667 1.00 . A A . 6 MET O 1 1 18 5787 1 1 7 MET SD S -8.049 6.682 0.732 1.00 . A A . 6 MET SD 1 1 18 5788 1 1 8 PHE C C -4.403 -0.818 1.565 1.00 . A A . 7 PHE C 1 1 18 5789 1 1 8 PHE CA C -5.144 0.179 2.508 1.00 . A A . 7 PHE CA 1 1 18 5790 1 1 8 PHE CB C -6.098 -0.558 3.473 1.00 . A A . 7 PHE CB 1 1 18 5791 1 1 8 PHE CD1 C -7.292 1.086 4.996 1.00 . A A . 7 PHE CD1 1 1 18 5792 1 1 8 PHE CD2 C -5.425 -0.161 5.888 1.00 . A A . 7 PHE CD2 1 1 18 5793 1 1 8 PHE CE1 C -7.441 1.737 6.215 1.00 . A A . 7 PHE CE1 1 1 18 5794 1 1 8 PHE CE2 C -5.574 0.493 7.107 1.00 . A A . 7 PHE CE2 1 1 18 5795 1 1 8 PHE CG C -6.283 0.133 4.826 1.00 . A A . 7 PHE CG 1 1 18 5796 1 1 8 PHE CZ C -6.582 1.442 7.273 1.00 . A A . 7 PHE CZ 1 1 18 5797 1 1 8 PHE H H -6.942 1.080 1.684 1.00 . A A . 7 PHE H 1 1 18 5798 1 1 8 PHE HA H -4.377 0.728 3.061 1.00 . A A . 7 PHE HA 1 1 18 5799 1 1 8 PHE HB2 H -7.068 -0.640 2.974 1.00 . A A . 7 PHE HB2 1 1 18 5800 1 1 8 PHE HB3 H -5.806 -1.615 3.619 1.00 . A A . 7 PHE HB3 1 1 18 5801 1 1 8 PHE HD1 H -7.956 1.336 4.182 1.00 . A A . 7 PHE HD1 1 1 18 5802 1 1 8 PHE HD2 H -4.633 -0.888 5.771 1.00 . A A . 7 PHE HD2 1 1 18 5803 1 1 8 PHE HE1 H -8.220 2.476 6.316 1.00 . A A . 7 PHE HE1 1 1 18 5804 1 1 8 PHE HE2 H -4.893 0.259 7.909 1.00 . A A . 7 PHE HE2 1 1 18 5805 1 1 8 PHE HZ H -6.694 1.952 8.218 1.00 . A A . 7 PHE HZ 1 1 18 5806 1 1 8 PHE N N -5.929 1.182 1.749 1.00 . A A . 7 PHE N 1 1 18 5807 1 1 8 PHE O O -3.308 -1.261 1.912 1.00 . A A . 7 PHE O 1 1 18 5808 1 1 9 ASP C C -3.096 -1.348 -1.192 1.00 . A A . 8 ASP C 1 1 18 5809 1 1 9 ASP CA C -4.357 -2.063 -0.612 1.00 . A A . 8 ASP CA 1 1 18 5810 1 1 9 ASP CB C -5.377 -2.399 -1.724 1.00 . A A . 8 ASP CB 1 1 18 5811 1 1 9 ASP CG C -4.976 -3.552 -2.654 1.00 . A A . 8 ASP CG 1 1 18 5812 1 1 9 ASP H H -6.001 -0.909 0.395 1.00 . A A . 8 ASP H 1 1 18 5813 1 1 9 ASP HA H -4.103 -3.024 -0.123 1.00 . A A . 8 ASP HA 1 1 18 5814 1 1 9 ASP HB2 H -6.322 -2.672 -1.245 1.00 . A A . 8 ASP HB2 1 1 18 5815 1 1 9 ASP HB3 H -5.623 -1.503 -2.324 1.00 . A A . 8 ASP HB3 1 1 18 5816 1 1 9 ASP HD2 H -4.221 -2.155 -3.781 1.00 . A A . 8 ASP HD2 1 1 18 5817 1 1 9 ASP N N -5.002 -1.168 0.398 1.00 . A A . 8 ASP N 1 1 18 5818 1 1 9 ASP O O -2.017 -1.945 -1.231 1.00 . A A . 8 ASP O 1 1 18 5819 1 1 9 ASP OD1 O -5.221 -4.733 -2.413 1.00 . A A . 8 ASP OD1 1 1 18 5820 1 1 9 ASP OD2 O -4.316 -3.110 -3.773 1.00 . A A . 8 ASP OD2 1 1 18 5821 1 1 10 ARG C C -1.114 1.030 -1.041 1.00 . A A . 9 ARG C 1 1 18 5822 1 1 10 ARG CA C -2.165 0.783 -2.142 1.00 . A A . 9 ARG CA 1 1 18 5823 1 1 10 ARG CB C -2.677 2.111 -2.741 1.00 . A A . 9 ARG CB 1 1 18 5824 1 1 10 ARG CD C -3.975 3.261 -4.692 1.00 . A A . 9 ARG CD 1 1 18 5825 1 1 10 ARG CG C -3.376 1.961 -4.114 1.00 . A A . 9 ARG CG 1 1 18 5826 1 1 10 ARG CZ C -5.944 4.764 -4.299 1.00 . A A . 9 ARG CZ 1 1 18 5827 1 1 10 ARG H H -4.239 0.261 -1.536 1.00 . A A . 9 ARG H 1 1 18 5828 1 1 10 ARG HA H -1.656 0.194 -2.906 1.00 . A A . 9 ARG HA 1 1 18 5829 1 1 10 ARG HB2 H -3.348 2.612 -2.017 1.00 . A A . 9 ARG HB2 1 1 18 5830 1 1 10 ARG HB3 H -1.821 2.801 -2.865 1.00 . A A . 9 ARG HB3 1 1 18 5831 1 1 10 ARG HD2 H -3.214 4.065 -4.690 1.00 . A A . 9 ARG HD2 1 1 18 5832 1 1 10 ARG HD3 H -4.231 3.089 -5.755 1.00 . A A . 9 ARG HD3 1 1 18 5833 1 1 10 ARG HG2 H -2.638 1.569 -4.838 1.00 . A A . 9 ARG HG2 1 1 18 5834 1 1 10 ARG HG3 H -4.161 1.182 -4.064 1.00 . A A . 9 ARG HG3 1 1 18 5835 1 1 10 ARG HH11 H -4.853 5.341 -5.888 1.00 . A A . 9 ARG HH11 1 1 18 5836 1 1 10 ARG HH12 H -6.335 6.344 -5.483 1.00 . A A . 9 ARG HH12 1 1 18 5837 1 1 10 ARG HH21 H -7.186 4.393 -2.772 1.00 . A A . 9 ARG HH21 1 1 18 5838 1 1 10 ARG HH22 H -7.567 5.840 -3.835 1.00 . A A . 9 ARG HH22 1 1 18 5839 1 1 10 ARG N N -3.265 -0.068 -1.620 1.00 . A A . 9 ARG N 1 1 18 5840 1 1 10 ARG NE N -5.190 3.701 -3.963 1.00 . A A . 9 ARG NE 1 1 18 5841 1 1 10 ARG NH1 N -5.684 5.566 -5.330 1.00 . A A . 9 ARG NH1 1 1 18 5842 1 1 10 ARG NH2 N -7.007 5.026 -3.560 1.00 . A A . 9 ARG NH2 1 1 18 5843 1 1 10 ARG O O 0.041 0.653 -1.230 1.00 . A A . 9 ARG O 1 1 18 5844 1 1 11 ILE C C 0.238 0.594 1.679 1.00 . A A . 10 ILE C 1 1 18 5845 1 1 11 ILE CA C -0.626 1.845 1.297 1.00 . A A . 10 ILE CA 1 1 18 5846 1 1 11 ILE CB C -1.564 2.395 2.416 1.00 . A A . 10 ILE CB 1 1 18 5847 1 1 11 ILE CD1 C -3.242 4.332 2.845 1.00 . A A . 10 ILE CD1 1 1 18 5848 1 1 11 ILE CG1 C -2.004 3.849 2.094 1.00 . A A . 10 ILE CG1 1 1 18 5849 1 1 11 ILE CG2 C -1.061 2.266 3.864 1.00 . A A . 10 ILE CG2 1 1 18 5850 1 1 11 ILE H H -2.517 1.848 0.194 1.00 . A A . 10 ILE H 1 1 18 5851 1 1 11 ILE HA H 0.067 2.641 1.014 1.00 . A A . 10 ILE HA 1 1 18 5852 1 1 11 ILE HB H -2.449 1.756 2.394 1.00 . A A . 10 ILE HB 1 1 18 5853 1 1 11 ILE HD11 H -3.615 5.269 2.399 1.00 . A A . 10 ILE HD11 1 1 18 5854 1 1 11 ILE HD12 H -3.023 4.499 3.910 1.00 . A A . 10 ILE HD12 1 1 18 5855 1 1 11 ILE HD13 H -4.055 3.587 2.780 1.00 . A A . 10 ILE HD13 1 1 18 5856 1 1 11 ILE HG12 H -1.155 4.536 2.229 1.00 . A A . 10 ILE HG12 1 1 18 5857 1 1 11 ILE HG13 H -2.261 3.925 1.023 1.00 . A A . 10 ILE HG13 1 1 18 5858 1 1 11 ILE HG21 H -1.828 2.613 4.580 1.00 . A A . 10 ILE HG21 1 1 18 5859 1 1 11 ILE HG22 H -0.876 1.205 4.114 1.00 . A A . 10 ILE HG22 1 1 18 5860 1 1 11 ILE HG23 H -0.133 2.837 4.023 1.00 . A A . 10 ILE HG23 1 1 18 5861 1 1 11 ILE N N -1.513 1.600 0.112 1.00 . A A . 10 ILE N 1 1 18 5862 1 1 11 ILE O O 1.434 0.722 1.953 1.00 . A A . 10 ILE O 1 1 18 5863 1 1 12 GLY C C 1.394 -2.312 0.987 1.00 . A A . 11 GLY C 1 1 18 5864 1 1 12 GLY CA C 0.239 -1.890 1.936 1.00 . A A . 11 GLY CA 1 1 18 5865 1 1 12 GLY H H -1.416 -0.478 1.509 1.00 . A A . 11 GLY H 1 1 18 5866 1 1 12 GLY HA2 H 0.620 -1.856 2.968 1.00 . A A . 11 GLY HA2 1 1 18 5867 1 1 12 GLY HA3 H -0.535 -2.666 1.864 1.00 . A A . 11 GLY HA3 1 1 18 5868 1 1 12 GLY N N -0.409 -0.588 1.671 1.00 . A A . 11 GLY N 1 1 18 5869 1 1 12 GLY O O 2.157 -3.215 1.330 1.00 . A A . 11 GLY O 1 1 18 5870 1 1 13 LYS C C 2.866 -0.612 -2.011 1.00 . A A . 12 LYS C 1 1 18 5871 1 1 13 LYS CA C 2.487 -1.933 -1.247 1.00 . A A . 12 LYS CA 1 1 18 5872 1 1 13 LYS CB C 2.214 -3.171 -2.148 1.00 . A A . 12 LYS CB 1 1 18 5873 1 1 13 LYS CD C 0.715 -4.359 -3.923 1.00 . A A . 12 LYS CD 1 1 18 5874 1 1 13 LYS CE C 1.722 -4.608 -5.068 1.00 . A A . 12 LYS CE 1 1 18 5875 1 1 13 LYS CG C 0.950 -3.110 -3.043 1.00 . A A . 12 LYS CG 1 1 18 5876 1 1 13 LYS H H 0.579 -1.198 -0.418 1.00 . A A . 12 LYS H 1 1 18 5877 1 1 13 LYS HA H 3.418 -2.100 -0.681 1.00 . A A . 12 LYS HA 1 1 18 5878 1 1 13 LYS HB2 H 3.103 -3.338 -2.783 1.00 . A A . 12 LYS HB2 1 1 18 5879 1 1 13 LYS HB3 H 2.158 -4.073 -1.509 1.00 . A A . 12 LYS HB3 1 1 18 5880 1 1 13 LYS HD2 H 0.694 -5.252 -3.272 1.00 . A A . 12 LYS HD2 1 1 18 5881 1 1 13 LYS HD3 H -0.305 -4.305 -4.349 1.00 . A A . 12 LYS HD3 1 1 18 5882 1 1 13 LYS HE2 H 2.753 -4.676 -4.676 1.00 . A A . 12 LYS HE2 1 1 18 5883 1 1 13 LYS HE3 H 1.515 -5.594 -5.523 1.00 . A A . 12 LYS HE3 1 1 18 5884 1 1 13 LYS HG2 H 0.065 -2.978 -2.396 1.00 . A A . 12 LYS HG2 1 1 18 5885 1 1 13 LYS HG3 H 0.976 -2.206 -3.680 1.00 . A A . 12 LYS HG3 1 1 18 5886 1 1 13 LYS HZ1 H 2.365 -3.790 -6.853 1.00 . A A . 12 LYS HZ1 1 1 18 5887 1 1 13 LYS HZ3 H 1.925 -2.668 -5.749 1.00 . A A . 12 LYS HZ3 1 1 18 5888 1 1 13 LYS N N 1.434 -1.726 -0.222 1.00 . A A . 12 LYS N 1 1 18 5889 1 1 13 LYS NZ N 1.666 -3.585 -6.130 1.00 . A A . 12 LYS NZ 1 1 18 5890 1 1 13 LYS O O 3.126 -0.610 -3.217 1.00 . A A . 12 LYS O 1 1 18 5891 1 1 14 ASP C C 4.383 2.269 -0.703 1.00 . A A . 13 ASP C 1 1 18 5892 1 1 14 ASP CA C 3.342 1.852 -1.725 1.00 . A A . 13 ASP CA 1 1 18 5893 1 1 14 ASP CB C 2.168 2.817 -1.900 1.00 . A A . 13 ASP CB 1 1 18 5894 1 1 14 ASP CG C 2.452 4.040 -2.777 1.00 . A A . 13 ASP CG 1 1 18 5895 1 1 14 ASP H H 2.529 0.434 -0.319 1.00 . A A . 13 ASP H 1 1 18 5896 1 1 14 ASP HA H 3.915 1.757 -2.632 1.00 . A A . 13 ASP HA 1 1 18 5897 1 1 14 ASP HB2 H 1.317 2.259 -2.295 1.00 . A A . 13 ASP HB2 1 1 18 5898 1 1 14 ASP HB3 H 1.844 3.127 -0.907 1.00 . A A . 13 ASP HB3 1 1 18 5899 1 1 14 ASP HD2 H 3.081 4.864 -1.130 1.00 . A A . 13 ASP HD2 1 1 18 5900 1 1 14 ASP N N 2.950 0.502 -1.255 1.00 . A A . 13 ASP N 1 1 18 5901 1 1 14 ASP O O 5.519 2.509 -1.113 1.00 . A A . 13 ASP O 1 1 18 5902 1 1 14 ASP OD1 O 2.229 4.071 -3.987 1.00 . A A . 13 ASP OD1 1 1 18 5903 1 1 14 ASP OD2 O 2.981 5.082 -2.060 1.00 . A A . 13 ASP OD2 1 1 18 5904 1 1 15 VAL C C 5.322 1.515 2.514 1.00 . A A . 14 VAL C 1 1 18 5905 1 1 15 VAL CA C 5.001 2.778 1.633 1.00 . A A . 14 VAL CA 1 1 18 5906 1 1 15 VAL CB C 4.733 4.092 2.378 1.00 . A A . 14 VAL CB 1 1 18 5907 1 1 15 VAL CG1 C 4.709 5.258 1.379 1.00 . A A . 14 VAL CG1 1 1 18 5908 1 1 15 VAL CG2 C 3.461 4.044 3.242 1.00 . A A . 14 VAL CG2 1 1 18 5909 1 1 15 VAL H H 3.084 2.071 0.802 1.00 . A A . 14 VAL H 1 1 18 5910 1 1 15 VAL HA H 5.964 2.913 1.116 1.00 . A A . 14 VAL HA 1 1 18 5911 1 1 15 VAL HB H 5.621 4.235 3.017 1.00 . A A . 14 VAL HB 1 1 18 5912 1 1 15 VAL HG11 H 4.656 6.227 1.892 1.00 . A A . 14 VAL HG11 1 1 18 5913 1 1 15 VAL HG12 H 5.618 5.237 0.747 1.00 . A A . 14 VAL HG12 1 1 18 5914 1 1 15 VAL HG13 H 3.843 5.168 0.694 1.00 . A A . 14 VAL HG13 1 1 18 5915 1 1 15 VAL HG21 H 3.514 3.224 3.981 1.00 . A A . 14 VAL HG21 1 1 18 5916 1 1 15 VAL HG22 H 3.314 4.985 3.795 1.00 . A A . 14 VAL HG22 1 1 18 5917 1 1 15 VAL HG23 H 2.565 3.859 2.620 1.00 . A A . 14 VAL HG23 1 1 18 5918 1 1 15 VAL N N 3.997 2.459 0.578 1.00 . A A . 14 VAL N 1 1 18 5919 1 1 15 VAL O O 5.424 1.479 3.742 1.00 . A A . 14 VAL O 1 1 18 5920 1 1 16 TYR C C 6.870 -1.190 0.755 1.00 . A A . 15 TYR C 1 1 18 5921 1 1 16 TYR CA C 5.935 -0.874 1.955 1.00 . A A . 15 TYR CA 1 1 18 5922 1 1 16 TYR CB C 4.771 -1.850 2.186 1.00 . A A . 15 TYR CB 1 1 18 5923 1 1 16 TYR CD1 C 5.734 -3.651 3.697 1.00 . A A . 15 TYR CD1 1 1 18 5924 1 1 16 TYR CD2 C 5.275 -4.221 1.394 1.00 . A A . 15 TYR CD2 1 1 18 5925 1 1 16 TYR CE1 C 6.246 -4.928 3.911 1.00 . A A . 15 TYR CE1 1 1 18 5926 1 1 16 TYR CE2 C 5.788 -5.497 1.610 1.00 . A A . 15 TYR CE2 1 1 18 5927 1 1 16 TYR CG C 5.236 -3.292 2.441 1.00 . A A . 15 TYR CG 1 1 18 5928 1 1 16 TYR CZ C 6.270 -5.853 2.869 1.00 . A A . 15 TYR CZ 1 1 18 5929 1 1 16 TYR H H 5.125 0.813 0.776 1.00 . A A . 15 TYR H 1 1 18 5930 1 1 16 TYR HA H 6.565 -0.846 2.841 1.00 . A A . 15 TYR HA 1 1 18 5931 1 1 16 TYR HB2 H 4.148 -1.501 3.032 1.00 . A A . 15 TYR HB2 1 1 18 5932 1 1 16 TYR HB3 H 4.110 -1.795 1.311 1.00 . A A . 15 TYR HB3 1 1 18 5933 1 1 16 TYR HD1 H 5.767 -2.924 4.495 1.00 . A A . 15 TYR HD1 1 1 18 5934 1 1 16 TYR HD2 H 4.952 -3.944 0.398 1.00 . A A . 15 TYR HD2 1 1 18 5935 1 1 16 TYR HE1 H 6.645 -5.179 4.883 1.00 . A A . 15 TYR HE1 1 1 18 5936 1 1 16 TYR HE2 H 5.832 -6.195 0.788 1.00 . A A . 15 TYR HE2 1 1 18 5937 1 1 16 TYR HH H 6.737 -7.606 2.257 1.00 . A A . 15 TYR HH 1 1 18 5938 1 1 16 TYR N N 5.542 0.509 1.687 1.00 . A A . 15 TYR N 1 1 18 5939 1 1 16 TYR O O 7.936 -1.765 0.988 1.00 . A A . 15 TYR O 1 1 18 5940 1 1 16 TYR OH O 6.790 -7.106 3.075 1.00 . A A . 15 TYR OH 1 1 18 5941 1 1 17 ASP C C 8.434 0.001 -1.723 1.00 . A A . 16 ASP C 1 1 18 5942 1 1 17 ASP CA C 7.354 -1.118 -1.676 1.00 . A A . 16 ASP CA 1 1 18 5943 1 1 17 ASP CB C 6.550 -1.355 -2.961 1.00 . A A . 16 ASP CB 1 1 18 5944 1 1 17 ASP CG C 7.363 -1.885 -4.149 1.00 . A A . 16 ASP CG 1 1 18 5945 1 1 17 ASP H H 5.637 -0.300 -0.554 1.00 . A A . 16 ASP H 1 1 18 5946 1 1 17 ASP HA H 7.927 -2.003 -1.437 1.00 . A A . 16 ASP HA 1 1 18 5947 1 1 17 ASP HB2 H 5.703 -2.042 -2.771 1.00 . A A . 16 ASP HB2 1 1 18 5948 1 1 17 ASP HB3 H 6.099 -0.398 -3.226 1.00 . A A . 16 ASP HB3 1 1 18 5949 1 1 17 ASP HD2 H 7.073 -3.635 -3.347 1.00 . A A . 16 ASP HD2 1 1 18 5950 1 1 17 ASP N N 6.469 -0.906 -0.515 1.00 . A A . 16 ASP N 1 1 18 5951 1 1 17 ASP O O 9.571 -0.319 -2.079 1.00 . A A . 16 ASP O 1 1 18 5952 1 1 17 ASP OD1 O 7.830 -1.161 -5.027 1.00 . A A . 16 ASP OD1 1 1 18 5953 1 1 17 ASP OD2 O 7.508 -3.249 -4.111 1.00 . A A . 16 ASP OD2 1 1 18 5954 1 1 18 LYS C C 10.142 2.120 -0.155 1.00 . A A . 17 LYS C 1 1 18 5955 1 1 18 LYS CA C 9.130 2.360 -1.338 1.00 . A A . 17 LYS CA 1 1 18 5956 1 1 18 LYS CB C 8.410 3.737 -1.292 1.00 . A A . 17 LYS CB 1 1 18 5957 1 1 18 LYS CD C 9.784 5.621 -0.130 1.00 . A A . 17 LYS CD 1 1 18 5958 1 1 18 LYS CE C 10.646 6.877 -0.351 1.00 . A A . 17 LYS CE 1 1 18 5959 1 1 18 LYS CG C 9.291 5.000 -1.454 1.00 . A A . 17 LYS CG 1 1 18 5960 1 1 18 LYS H H 7.160 1.458 -1.047 1.00 . A A . 17 LYS H 1 1 18 5961 1 1 18 LYS HA H 9.684 2.300 -2.284 1.00 . A A . 17 LYS HA 1 1 18 5962 1 1 18 LYS HB2 H 7.678 3.764 -2.123 1.00 . A A . 17 LYS HB2 1 1 18 5963 1 1 18 LYS HB3 H 7.790 3.822 -0.379 1.00 . A A . 17 LYS HB3 1 1 18 5964 1 1 18 LYS HD2 H 8.909 5.875 0.499 1.00 . A A . 17 LYS HD2 1 1 18 5965 1 1 18 LYS HD3 H 10.360 4.876 0.449 1.00 . A A . 17 LYS HD3 1 1 18 5966 1 1 18 LYS HE2 H 11.532 6.633 -0.967 1.00 . A A . 17 LYS HE2 1 1 18 5967 1 1 18 LYS HE3 H 10.078 7.642 -0.912 1.00 . A A . 17 LYS HE3 1 1 18 5968 1 1 18 LYS HG2 H 10.145 4.782 -2.123 1.00 . A A . 17 LYS HG2 1 1 18 5969 1 1 18 LYS HG3 H 8.699 5.766 -1.990 1.00 . A A . 17 LYS HG3 1 1 18 5970 1 1 18 LYS HZ1 H 10.287 7.752 1.484 1.00 . A A . 17 LYS HZ1 1 1 18 5971 1 1 18 LYS HZ3 H 11.640 8.308 0.755 1.00 . A A . 17 LYS HZ3 1 1 18 5972 1 1 18 LYS N N 8.119 1.278 -1.383 1.00 . A A . 17 LYS N 1 1 18 5973 1 1 18 LYS NZ N 11.096 7.455 0.927 1.00 . A A . 17 LYS NZ 1 1 18 5974 1 1 18 LYS O O 11.290 2.561 -0.267 1.00 . A A . 17 LYS O 1 1 18 5975 1 1 19 VAL C C 11.554 -0.100 1.772 1.00 . A A . 18 VAL C 1 1 18 5976 1 1 19 VAL CA C 10.619 1.092 2.090 1.00 . A A . 18 VAL CA 1 1 18 5977 1 1 19 VAL CB C 9.866 0.987 3.453 1.00 . A A . 18 VAL CB 1 1 18 5978 1 1 19 VAL CG1 C 8.814 2.089 3.716 1.00 . A A . 18 VAL CG1 1 1 18 5979 1 1 19 VAL CG2 C 9.273 -0.376 3.855 1.00 . A A . 18 VAL CG2 1 1 18 5980 1 1 19 VAL H H 8.891 0.861 0.846 1.00 . A A . 18 VAL H 1 1 18 5981 1 1 19 VAL HA H 11.291 1.941 2.168 1.00 . A A . 18 VAL HA 1 1 18 5982 1 1 19 VAL HB H 10.673 1.133 4.149 1.00 . A A . 18 VAL HB 1 1 18 5983 1 1 19 VAL HG11 H 9.238 3.099 3.583 1.00 . A A . 18 VAL HG11 1 1 18 5984 1 1 19 VAL HG12 H 8.397 2.035 4.739 1.00 . A A . 18 VAL HG12 1 1 18 5985 1 1 19 VAL HG13 H 7.965 2.000 3.017 1.00 . A A . 18 VAL HG13 1 1 18 5986 1 1 19 VAL HG21 H 8.623 -0.767 3.069 1.00 . A A . 18 VAL HG21 1 1 18 5987 1 1 19 VAL HG22 H 10.073 -1.123 4.011 1.00 . A A . 18 VAL HG22 1 1 18 5988 1 1 19 VAL HG23 H 8.697 -0.331 4.797 1.00 . A A . 18 VAL HG23 1 1 18 5989 1 1 19 VAL N N 9.743 1.418 0.946 1.00 . A A . 18 VAL N 1 1 18 5990 1 1 19 VAL O O 12.773 0.008 1.941 1.00 . A A . 18 VAL O 1 1 18 5991 1 1 20 LYS C C 12.728 -2.175 -0.276 1.00 . A A . 19 LYS C 1 1 18 5992 1 1 20 LYS CA C 11.713 -2.438 0.904 1.00 . A A . 19 LYS CA 1 1 18 5993 1 1 20 LYS CB C 10.667 -3.549 0.596 1.00 . A A . 19 LYS CB 1 1 18 5994 1 1 20 LYS CD C 11.433 -5.370 -1.102 1.00 . A A . 19 LYS CD 1 1 18 5995 1 1 20 LYS CE C 11.975 -6.801 -1.263 1.00 . A A . 19 LYS CE 1 1 18 5996 1 1 20 LYS CG C 11.204 -4.985 0.375 1.00 . A A . 19 LYS CG 1 1 18 5997 1 1 20 LYS H H 9.936 -1.164 1.385 1.00 . A A . 19 LYS H 1 1 18 5998 1 1 20 LYS HA H 12.289 -2.762 1.787 1.00 . A A . 19 LYS HA 1 1 18 5999 1 1 20 LYS HB2 H 9.972 -3.614 1.457 1.00 . A A . 19 LYS HB2 1 1 18 6000 1 1 20 LYS HB3 H 10.020 -3.250 -0.252 1.00 . A A . 19 LYS HB3 1 1 18 6001 1 1 20 LYS HD2 H 10.478 -5.268 -1.654 1.00 . A A . 19 LYS HD2 1 1 18 6002 1 1 20 LYS HD3 H 12.129 -4.655 -1.578 1.00 . A A . 19 LYS HD3 1 1 18 6003 1 1 20 LYS HE2 H 12.936 -6.912 -0.727 1.00 . A A . 19 LYS HE2 1 1 18 6004 1 1 20 LYS HE3 H 11.280 -7.532 -0.809 1.00 . A A . 19 LYS HE3 1 1 18 6005 1 1 20 LYS HG2 H 12.128 -5.139 0.964 1.00 . A A . 19 LYS HG2 1 1 18 6006 1 1 20 LYS HG3 H 10.473 -5.697 0.803 1.00 . A A . 19 LYS HG3 1 1 18 6007 1 1 20 LYS HZ1 H 12.568 -8.092 -2.761 1.00 . A A . 19 LYS HZ1 1 1 18 6008 1 1 20 LYS HZ3 H 12.872 -6.522 -3.101 1.00 . A A . 19 LYS HZ3 1 1 18 6009 1 1 20 LYS N N 10.961 -1.221 1.317 1.00 . A A . 19 LYS N 1 1 18 6010 1 1 20 LYS NZ N 12.175 -7.147 -2.681 1.00 . A A . 19 LYS NZ 1 1 18 6011 1 1 20 LYS O O 13.679 -2.944 -0.442 1.00 . A A . 19 LYS O 1 1 18 6012 1 1 21 GLU C C 14.600 0.175 -1.665 1.00 . A A . 20 GLU C 1 1 18 6013 1 1 21 GLU CA C 13.403 -0.665 -2.166 1.00 . A A . 20 GLU CA 1 1 18 6014 1 1 21 GLU CB C 12.523 -0.018 -3.253 1.00 . A A . 20 GLU CB 1 1 18 6015 1 1 21 GLU CD C 12.285 0.938 -5.610 1.00 . A A . 20 GLU CD 1 1 18 6016 1 1 21 GLU CG C 13.238 0.349 -4.568 1.00 . A A . 20 GLU CG 1 1 18 6017 1 1 21 GLU H H 11.911 -0.388 -0.629 1.00 . A A . 20 GLU H 1 1 18 6018 1 1 21 GLU HA H 13.805 -1.557 -2.592 1.00 . A A . 20 GLU HA 1 1 18 6019 1 1 21 GLU HB2 H 11.679 -0.697 -3.476 1.00 . A A . 20 GLU HB2 1 1 18 6020 1 1 21 GLU HB3 H 12.068 0.878 -2.816 1.00 . A A . 20 GLU HB3 1 1 18 6021 1 1 21 GLU HE2 H 12.648 2.639 -4.734 1.00 . A A . 20 GLU HE2 1 1 18 6022 1 1 21 GLU HG2 H 14.052 1.069 -4.367 1.00 . A A . 20 GLU HG2 1 1 18 6023 1 1 21 GLU HG3 H 13.725 -0.549 -4.990 1.00 . A A . 20 GLU HG3 1 1 18 6024 1 1 21 GLU N N 12.530 -1.085 -1.057 1.00 . A A . 20 GLU N 1 1 18 6025 1 1 21 GLU O O 15.757 -0.234 -1.765 1.00 . A A . 20 GLU O 1 1 18 6026 1 1 21 GLU OE1 O 11.726 0.264 -6.475 1.00 . A A . 20 GLU OE1 1 1 18 6027 1 1 21 GLU OE2 O 12.131 2.294 -5.465 1.00 . A A . 20 GLU OE2 1 1 18 6028 1 1 22 NH2 HN1 H 14.338 1.030 -0.041 1.00 . A A . 21 NH2 HN1 1 1 18 6029 1 1 22 NH2 HN2 H 13.519 1.764 -1.426 1.00 . A A . 21 NH2 HN2 1 1 18 6030 1 1 22 NH2 N N 14.343 1.299 -1.027 1.00 . A A . 21 NH2 N 1 1 19 6031 1 1 2 GLU C C -13.351 -2.789 -1.653 1.00 . A A . 1 ACE C 1 1 19 6032 1 1 2 GLU CA C -14.159 -0.460 -1.345 1.00 . A A . 1 ACE CA 1 1 19 6033 1 1 2 GLU CB C -15.513 0.076 -0.763 1.00 . A A . 1 ACE CB 1 1 19 6034 1 1 2 GLU CD C -17.125 -0.624 -2.669 1.00 . A A . 1 ACE CD 1 1 19 6035 1 1 2 GLU CG C -16.840 -0.570 -1.164 1.00 . A A . 1 ACE CG 1 1 19 6036 1 1 2 GLU H H -14.884 -2.316 -0.513 1.00 . A A . 1 ACE H 1 1 19 6037 1 1 2 GLU HA H -14.280 -0.372 -2.438 1.00 . A A . 1 ACE HA 1 1 19 6038 1 1 2 GLU HB2 H -15.449 0.091 0.344 1.00 . A A . 1 ACE HB2 1 1 19 6039 1 1 2 GLU HB3 H -15.614 1.135 -1.048 1.00 . A A . 1 ACE HB3 1 1 19 6040 1 1 2 GLU HE2 H -16.917 -1.846 -4.171 1.00 . A A . 1 ACE HE2 1 1 19 6041 1 1 2 GLU HG2 H -16.874 -1.575 -0.717 1.00 . A A . 1 ACE HG2 1 1 19 6042 1 1 2 GLU HG3 H -17.627 0.028 -0.671 1.00 . A A . 1 ACE HG3 1 1 19 6043 1 1 2 GLU N N -14.064 -1.891 -0.957 1.00 . A A . 1 ACE N 1 1 19 6044 1 1 2 GLU O O -12.555 -2.501 -2.548 1.00 . A A . 1 ACE O 1 1 19 6045 1 1 2 GLU OE1 O -17.640 0.302 -3.295 1.00 . A A . 1 ACE OE1 1 1 19 6046 1 1 2 GLU OE2 O -16.738 -1.816 -3.228 1.00 . A A . 1 ACE OE2 1 1 19 6047 1 1 3 SER C C -11.079 2.096 0.919 1.00 . A A . 2 SER C 1 1 19 6048 1 1 3 SER CA C -12.104 2.608 -0.107 1.00 . A A . 2 SER CA 1 1 19 6049 1 1 3 SER CB C -12.819 3.868 0.394 1.00 . A A . 2 SER CB 1 1 19 6050 1 1 3 SER H H -14.146 1.803 -0.552 1.00 . A A . 2 SER H 1 1 19 6051 1 1 3 SER HA H -11.575 2.921 -1.006 1.00 . A A . 2 SER HA 1 1 19 6052 1 1 3 SER HB2 H -13.684 4.116 -0.237 1.00 . A A . 2 SER HB2 1 1 19 6053 1 1 3 SER HB3 H -13.236 3.659 1.380 1.00 . A A . 2 SER HB3 1 1 19 6054 1 1 3 SER HG H -11.230 4.723 1.061 1.00 . A A . 2 SER HG 1 1 19 6055 1 1 3 SER N N -13.135 1.620 -0.524 1.00 . A A . 2 SER N 1 1 19 6056 1 1 3 SER O O -9.881 2.331 0.763 1.00 . A A . 2 SER O 1 1 19 6057 1 1 3 SER OG O -11.936 4.981 0.464 1.00 . A A . 2 SER OG 1 1 19 6058 1 1 4 ALA C C -9.993 -0.559 2.691 1.00 . A A . 3 ALA C 1 1 19 6059 1 1 4 ALA CA C -10.711 0.799 3.006 1.00 . A A . 3 ALA CA 1 1 19 6060 1 1 4 ALA CB C -11.511 0.725 4.304 1.00 . A A . 3 ALA CB 1 1 19 6061 1 1 4 ALA H H -12.604 1.409 1.932 1.00 . A A . 3 ALA H 1 1 19 6062 1 1 4 ALA HA H -9.864 1.492 3.092 1.00 . A A . 3 ALA HA 1 1 19 6063 1 1 4 ALA HB1 H -10.871 0.390 5.138 1.00 . A A . 3 ALA HB1 1 1 19 6064 1 1 4 ALA HB2 H -11.932 1.710 4.573 1.00 . A A . 3 ALA HB2 1 1 19 6065 1 1 4 ALA HB3 H -12.346 0.005 4.203 1.00 . A A . 3 ALA HB3 1 1 19 6066 1 1 4 ALA N N -11.580 1.413 1.961 1.00 . A A . 3 ALA N 1 1 19 6067 1 1 4 ALA O O -9.453 -1.257 3.553 1.00 . A A . 3 ALA O 1 1 19 6068 1 1 5 LYS C C -8.901 -1.633 -0.745 1.00 . A A . 4 LYS C 1 1 19 6069 1 1 5 LYS CA C -9.402 -2.012 0.711 1.00 . A A . 4 LYS CA 1 1 19 6070 1 1 5 LYS CB C -10.353 -3.231 0.767 1.00 . A A . 4 LYS CB 1 1 19 6071 1 1 5 LYS CD C -8.770 -5.093 1.651 1.00 . A A . 4 LYS CD 1 1 19 6072 1 1 5 LYS CE C -8.236 -6.517 1.414 1.00 . A A . 4 LYS CE 1 1 19 6073 1 1 5 LYS CG C -9.734 -4.628 0.539 1.00 . A A . 4 LYS CG 1 1 19 6074 1 1 5 LYS H H -10.578 -0.164 0.919 1.00 . A A . 4 LYS H 1 1 19 6075 1 1 5 LYS HA H -8.469 -2.163 1.277 1.00 . A A . 4 LYS HA 1 1 19 6076 1 1 5 LYS HB2 H -10.884 -3.247 1.736 1.00 . A A . 4 LYS HB2 1 1 19 6077 1 1 5 LYS HB3 H -11.143 -3.057 0.015 1.00 . A A . 4 LYS HB3 1 1 19 6078 1 1 5 LYS HD2 H -7.921 -4.387 1.724 1.00 . A A . 4 LYS HD2 1 1 19 6079 1 1 5 LYS HD3 H -9.289 -5.046 2.628 1.00 . A A . 4 LYS HD3 1 1 19 6080 1 1 5 LYS HE2 H -9.072 -7.239 1.352 1.00 . A A . 4 LYS HE2 1 1 19 6081 1 1 5 LYS HE3 H -7.704 -6.575 0.446 1.00 . A A . 4 LYS HE3 1 1 19 6082 1 1 5 LYS HG2 H -10.562 -5.357 0.456 1.00 . A A . 4 LYS HG2 1 1 19 6083 1 1 5 LYS HG3 H -9.224 -4.665 -0.441 1.00 . A A . 4 LYS HG3 1 1 19 6084 1 1 5 LYS HZ1 H -6.535 -6.279 2.560 1.00 . A A . 4 LYS HZ1 1 1 19 6085 1 1 5 LYS HZ3 H -7.799 -6.893 3.396 1.00 . A A . 4 LYS HZ3 1 1 19 6086 1 1 5 LYS N N -10.021 -0.863 1.404 1.00 . A A . 4 LYS N 1 1 19 6087 1 1 5 LYS NZ N -7.320 -6.937 2.490 1.00 . A A . 4 LYS NZ 1 1 19 6088 1 1 5 LYS O O -8.718 -2.478 -1.624 1.00 . A A . 4 LYS O 1 1 19 6089 1 1 6 HIS C C -7.049 1.296 -1.628 1.00 . A A . 5 HIS C 1 1 19 6090 1 1 6 HIS CA C -8.174 0.356 -2.152 1.00 . A A . 5 HIS CA 1 1 19 6091 1 1 6 HIS CB C -9.229 1.083 -3.023 1.00 . A A . 5 HIS CB 1 1 19 6092 1 1 6 HIS CD2 C -9.840 -1.061 -4.405 1.00 . A A . 5 HIS CD2 1 1 19 6093 1 1 6 HIS CE1 C -11.796 -0.521 -4.963 1.00 . A A . 5 HIS CE1 1 1 19 6094 1 1 6 HIS CG C -10.163 0.187 -3.838 1.00 . A A . 5 HIS CG 1 1 19 6095 1 1 6 HIS H H -9.278 0.186 -0.271 1.00 . A A . 5 HIS H 1 1 19 6096 1 1 6 HIS HA H -7.631 -0.400 -2.725 1.00 . A A . 5 HIS HA 1 1 19 6097 1 1 6 HIS HB2 H -9.822 1.769 -2.388 1.00 . A A . 5 HIS HB2 1 1 19 6098 1 1 6 HIS HB3 H -8.708 1.745 -3.740 1.00 . A A . 5 HIS HB3 1 1 19 6099 1 1 6 HIS HD2 H -8.892 -1.569 -4.304 1.00 . A A . 5 HIS HD2 1 1 19 6100 1 1 6 HIS HE1 H -12.773 -0.572 -5.420 1.00 . A A . 5 HIS HE1 1 1 19 6101 1 1 6 HIS HE2 H -10.995 -2.412 -5.680 1.00 . A A . 5 HIS HE2 1 1 19 6102 1 1 6 HIS N N -8.695 -0.324 -0.947 1.00 . A A . 5 HIS N 1 1 19 6103 1 1 6 HIS ND1 N -11.449 0.573 -4.210 1.00 . A A . 5 HIS ND1 1 1 19 6104 1 1 6 HIS NE2 N -10.904 -1.543 -5.142 1.00 . A A . 5 HIS NE2 1 1 19 6105 1 1 6 HIS O O -5.964 1.303 -2.214 1.00 . A A . 5 HIS O 1 1 19 6106 1 1 7 MET C C -5.376 2.036 0.866 1.00 . A A . 6 MET C 1 1 19 6107 1 1 7 MET CA C -6.292 2.991 0.066 1.00 . A A . 6 MET CA 1 1 19 6108 1 1 7 MET CB C -6.903 4.133 0.920 1.00 . A A . 6 MET CB 1 1 19 6109 1 1 7 MET CE C -6.752 7.258 -0.602 1.00 . A A . 6 MET CE 1 1 19 6110 1 1 7 MET CG C -8.043 4.916 0.242 1.00 . A A . 6 MET CG 1 1 19 6111 1 1 7 MET H H -8.156 1.940 -0.052 1.00 . A A . 6 MET H 1 1 19 6112 1 1 7 MET HA H -5.660 3.395 -0.728 1.00 . A A . 6 MET HA 1 1 19 6113 1 1 7 MET HB2 H -7.280 3.742 1.884 1.00 . A A . 6 MET HB2 1 1 19 6114 1 1 7 MET HB3 H -6.093 4.833 1.197 1.00 . A A . 6 MET HB3 1 1 19 6115 1 1 7 MET HE1 H -7.113 7.061 -1.628 1.00 . A A . 6 MET HE1 1 1 19 6116 1 1 7 MET HE2 H -6.585 8.345 -0.501 1.00 . A A . 6 MET HE2 1 1 19 6117 1 1 7 MET HE3 H -5.779 6.749 -0.473 1.00 . A A . 6 MET HE3 1 1 19 6118 1 1 7 MET HG2 H -8.042 4.738 -0.849 1.00 . A A . 6 MET HG2 1 1 19 6119 1 1 7 MET HG3 H -9.018 4.531 0.591 1.00 . A A . 6 MET HG3 1 1 19 6120 1 1 7 MET N N -7.295 2.113 -0.569 1.00 . A A . 6 MET N 1 1 19 6121 1 1 7 MET O O -4.174 2.101 0.653 1.00 . A A . 6 MET O 1 1 19 6122 1 1 7 MET SD S -7.949 6.686 0.623 1.00 . A A . 6 MET SD 1 1 19 6123 1 1 8 PHE C C -4.397 -0.854 1.547 1.00 . A A . 7 PHE C 1 1 19 6124 1 1 8 PHE CA C -5.135 0.144 2.493 1.00 . A A . 7 PHE CA 1 1 19 6125 1 1 8 PHE CB C -6.090 -0.594 3.457 1.00 . A A . 7 PHE CB 1 1 19 6126 1 1 8 PHE CD1 C -7.292 1.042 4.981 1.00 . A A . 7 PHE CD1 1 1 19 6127 1 1 8 PHE CD2 C -5.418 -0.195 5.872 1.00 . A A . 7 PHE CD2 1 1 19 6128 1 1 8 PHE CE1 C -7.445 1.692 6.199 1.00 . A A . 7 PHE CE1 1 1 19 6129 1 1 8 PHE CE2 C -5.571 0.457 7.091 1.00 . A A . 7 PHE CE2 1 1 19 6130 1 1 8 PHE CG C -6.278 0.095 4.809 1.00 . A A . 7 PHE CG 1 1 19 6131 1 1 8 PHE CZ C -6.585 1.401 7.257 1.00 . A A . 7 PHE CZ 1 1 19 6132 1 1 8 PHE H H -6.931 1.064 1.681 1.00 . A A . 7 PHE H 1 1 19 6133 1 1 8 PHE HA H -4.367 0.688 3.047 1.00 . A A . 7 PHE HA 1 1 19 6134 1 1 8 PHE HB2 H -7.059 -0.681 2.957 1.00 . A A . 7 PHE HB2 1 1 19 6135 1 1 8 PHE HB3 H -5.795 -1.650 3.603 1.00 . A A . 7 PHE HB3 1 1 19 6136 1 1 8 PHE HD1 H -7.957 1.289 4.166 1.00 . A A . 7 PHE HD1 1 1 19 6137 1 1 8 PHE HD2 H -4.623 -0.918 5.754 1.00 . A A . 7 PHE HD2 1 1 19 6138 1 1 8 PHE HE1 H -8.229 2.426 6.301 1.00 . A A . 7 PHE HE1 1 1 19 6139 1 1 8 PHE HE2 H -4.890 0.226 7.893 1.00 . A A . 7 PHE HE2 1 1 19 6140 1 1 8 PHE HZ H -6.700 1.910 8.203 1.00 . A A . 7 PHE HZ 1 1 19 6141 1 1 8 PHE N N -5.916 1.151 1.735 1.00 . A A . 7 PHE N 1 1 19 6142 1 1 8 PHE O O -3.301 -1.299 1.891 1.00 . A A . 7 PHE O 1 1 19 6143 1 1 9 ASP C C -3.092 -1.390 -1.212 1.00 . A A . 8 ASP C 1 1 19 6144 1 1 9 ASP CA C -4.358 -2.100 -0.630 1.00 . A A . 8 ASP CA 1 1 19 6145 1 1 9 ASP CB C -5.381 -2.427 -1.742 1.00 . A A . 8 ASP CB 1 1 19 6146 1 1 9 ASP CG C -4.978 -3.567 -2.687 1.00 . A A . 8 ASP CG 1 1 19 6147 1 1 9 ASP H H -5.997 -0.945 0.380 1.00 . A A . 8 ASP H 1 1 19 6148 1 1 9 ASP HA H -4.108 -3.063 -0.144 1.00 . A A . 8 ASP HA 1 1 19 6149 1 1 9 ASP HB2 H -6.332 -2.690 -1.267 1.00 . A A . 8 ASP HB2 1 1 19 6150 1 1 9 ASP HB3 H -5.613 -1.527 -2.341 1.00 . A A . 8 ASP HB3 1 1 19 6151 1 1 9 ASP HD2 H -5.729 -4.737 -1.325 1.00 . A A . 8 ASP HD2 1 1 19 6152 1 1 9 ASP N N -4.998 -1.205 0.382 1.00 . A A . 8 ASP N 1 1 19 6153 1 1 9 ASP O O -2.019 -1.996 -1.267 1.00 . A A . 8 ASP O 1 1 19 6154 1 1 9 ASP OD1 O -4.423 -3.383 -3.770 1.00 . A A . 8 ASP OD1 1 1 19 6155 1 1 9 ASP OD2 O -5.303 -4.800 -2.183 1.00 . A A . 8 ASP OD2 1 1 19 6156 1 1 10 ARG C C -1.102 0.979 -1.043 1.00 . A A . 9 ARG C 1 1 19 6157 1 1 10 ARG CA C -2.153 0.744 -2.146 1.00 . A A . 9 ARG CA 1 1 19 6158 1 1 10 ARG CB C -2.664 2.080 -2.731 1.00 . A A . 9 ARG CB 1 1 19 6159 1 1 10 ARG CD C -4.031 3.267 -4.558 1.00 . A A . 9 ARG CD 1 1 19 6160 1 1 10 ARG CG C -3.380 1.950 -4.094 1.00 . A A . 9 ARG CG 1 1 19 6161 1 1 10 ARG CZ C -5.373 4.068 -6.517 1.00 . A A . 9 ARG CZ 1 1 19 6162 1 1 10 ARG H H -4.226 0.229 -1.538 1.00 . A A . 9 ARG H 1 1 19 6163 1 1 10 ARG HA H -1.648 0.160 -2.916 1.00 . A A . 9 ARG HA 1 1 19 6164 1 1 10 ARG HB2 H -3.325 2.577 -1.995 1.00 . A A . 9 ARG HB2 1 1 19 6165 1 1 10 ARG HB3 H -1.806 2.768 -2.858 1.00 . A A . 9 ARG HB3 1 1 19 6166 1 1 10 ARG HD2 H -4.762 3.612 -3.802 1.00 . A A . 9 ARG HD2 1 1 19 6167 1 1 10 ARG HD3 H -3.262 4.060 -4.636 1.00 . A A . 9 ARG HD3 1 1 19 6168 1 1 10 ARG HG2 H -2.654 1.598 -4.852 1.00 . A A . 9 ARG HG2 1 1 19 6169 1 1 10 ARG HG3 H -4.153 1.159 -4.036 1.00 . A A . 9 ARG HG3 1 1 19 6170 1 1 10 ARG HH11 H -5.063 5.521 -5.158 1.00 . A A . 9 ARG HH11 1 1 19 6171 1 1 10 ARG HH12 H -6.034 5.965 -6.651 1.00 . A A . 9 ARG HH12 1 1 19 6172 1 1 10 ARG HH21 H -5.815 2.806 -8.007 1.00 . A A . 9 ARG HH21 1 1 19 6173 1 1 10 ARG HH22 H -6.430 4.529 -8.154 1.00 . A A . 9 ARG HH22 1 1 19 6174 1 1 10 ARG N N -3.254 -0.105 -1.626 1.00 . A A . 9 ARG N 1 1 19 6175 1 1 10 ARG NE N -4.707 3.095 -5.866 1.00 . A A . 9 ARG NE 1 1 19 6176 1 1 10 ARG NH1 N -5.504 5.313 -6.062 1.00 . A A . 9 ARG NH1 1 1 19 6177 1 1 10 ARG NH2 N -5.929 3.771 -7.677 1.00 . A A . 9 ARG NH2 1 1 19 6178 1 1 10 ARG O O 0.048 0.583 -1.225 1.00 . A A . 9 ARG O 1 1 19 6179 1 1 11 ILE C C 0.248 0.539 1.677 1.00 . A A . 10 ILE C 1 1 19 6180 1 1 11 ILE CA C -0.609 1.794 1.295 1.00 . A A . 10 ILE CA 1 1 19 6181 1 1 11 ILE CB C -1.547 2.346 2.413 1.00 . A A . 10 ILE CB 1 1 19 6182 1 1 11 ILE CD1 C -3.217 4.289 2.842 1.00 . A A . 10 ILE CD1 1 1 19 6183 1 1 11 ILE CG1 C -1.979 3.803 2.094 1.00 . A A . 10 ILE CG1 1 1 19 6184 1 1 11 ILE CG2 C -1.048 2.211 3.862 1.00 . A A . 10 ILE CG2 1 1 19 6185 1 1 11 ILE H H -2.498 1.812 0.188 1.00 . A A . 10 ILE H 1 1 19 6186 1 1 11 ILE HA H 0.089 2.585 1.013 1.00 . A A . 10 ILE HA 1 1 19 6187 1 1 11 ILE HB H -2.435 1.712 2.388 1.00 . A A . 10 ILE HB 1 1 19 6188 1 1 11 ILE HD11 H -4.034 3.549 2.769 1.00 . A A . 10 ILE HD11 1 1 19 6189 1 1 11 ILE HD12 H -3.001 4.449 3.909 1.00 . A A . 10 ILE HD12 1 1 19 6190 1 1 11 ILE HD13 H -3.583 5.231 2.400 1.00 . A A . 10 ILE HD13 1 1 19 6191 1 1 11 ILE HG12 H -1.127 4.486 2.234 1.00 . A A . 10 ILE HG12 1 1 19 6192 1 1 11 ILE HG13 H -2.232 3.884 1.023 1.00 . A A . 10 ILE HG13 1 1 19 6193 1 1 11 ILE HG21 H -0.116 2.775 4.024 1.00 . A A . 10 ILE HG21 1 1 19 6194 1 1 11 ILE HG22 H -1.814 2.561 4.577 1.00 . A A . 10 ILE HG22 1 1 19 6195 1 1 11 ILE HG23 H -0.869 1.149 4.109 1.00 . A A . 10 ILE HG23 1 1 19 6196 1 1 11 ILE N N -1.496 1.558 0.108 1.00 . A A . 10 ILE N 1 1 19 6197 1 1 11 ILE O O 1.444 0.662 1.957 1.00 . A A . 10 ILE O 1 1 19 6198 1 1 12 GLY C C 1.401 -2.356 0.985 1.00 . A A . 11 GLY C 1 1 19 6199 1 1 12 GLY CA C 0.237 -1.946 1.927 1.00 . A A . 11 GLY CA 1 1 19 6200 1 1 12 GLY H H -1.408 -0.524 1.495 1.00 . A A . 11 GLY H 1 1 19 6201 1 1 12 GLY HA2 H 0.609 -1.918 2.963 1.00 . A A . 11 GLY HA2 1 1 19 6202 1 1 12 GLY HA3 H -0.537 -2.721 1.842 1.00 . A A . 11 GLY HA3 1 1 19 6203 1 1 12 GLY N N -0.403 -0.640 1.663 1.00 . A A . 11 GLY N 1 1 19 6204 1 1 12 GLY O O 2.181 -3.238 1.344 1.00 . A A . 11 GLY O 1 1 19 6205 1 1 13 LYS C C 2.815 -0.666 -2.026 1.00 . A A . 12 LYS C 1 1 19 6206 1 1 13 LYS CA C 2.495 -1.996 -1.248 1.00 . A A . 12 LYS CA 1 1 19 6207 1 1 13 LYS CB C 2.204 -3.252 -2.118 1.00 . A A . 12 LYS CB 1 1 19 6208 1 1 13 LYS CD C 3.127 -5.086 -3.677 1.00 . A A . 12 LYS CD 1 1 19 6209 1 1 13 LYS CE C 4.359 -5.604 -4.443 1.00 . A A . 12 LYS CE 1 1 19 6210 1 1 13 LYS CG C 3.427 -3.799 -2.886 1.00 . A A . 12 LYS CG 1 1 19 6211 1 1 13 LYS H H 0.580 -1.259 -0.437 1.00 . A A . 12 LYS H 1 1 19 6212 1 1 13 LYS HA H 3.428 -2.136 -0.676 1.00 . A A . 12 LYS HA 1 1 19 6213 1 1 13 LYS HB2 H 1.824 -4.069 -1.473 1.00 . A A . 12 LYS HB2 1 1 19 6214 1 1 13 LYS HB3 H 1.380 -3.035 -2.825 1.00 . A A . 12 LYS HB3 1 1 19 6215 1 1 13 LYS HD2 H 2.761 -5.868 -2.983 1.00 . A A . 12 LYS HD2 1 1 19 6216 1 1 13 LYS HD3 H 2.298 -4.896 -4.386 1.00 . A A . 12 LYS HD3 1 1 19 6217 1 1 13 LYS HE2 H 4.728 -4.835 -5.147 1.00 . A A . 12 LYS HE2 1 1 19 6218 1 1 13 LYS HE3 H 5.191 -5.808 -3.743 1.00 . A A . 12 LYS HE3 1 1 19 6219 1 1 13 LYS HG2 H 3.802 -3.030 -3.585 1.00 . A A . 12 LYS HG2 1 1 19 6220 1 1 13 LYS HG3 H 4.252 -3.990 -2.173 1.00 . A A . 12 LYS HG3 1 1 19 6221 1 1 13 LYS HZ1 H 4.893 -7.178 -5.667 1.00 . A A . 12 LYS HZ1 1 1 19 6222 1 1 13 LYS HZ3 H 3.773 -7.580 -4.546 1.00 . A A . 12 LYS HZ3 1 1 19 6223 1 1 13 LYS N N 1.432 -1.790 -0.236 1.00 . A A . 12 LYS N 1 1 19 6224 1 1 13 LYS NZ N 4.050 -6.834 -5.193 1.00 . A A . 12 LYS NZ 1 1 19 6225 1 1 13 LYS O O 2.950 -0.635 -3.252 1.00 . A A . 12 LYS O 1 1 19 6226 1 1 14 ASP C C 4.367 2.223 -0.706 1.00 . A A . 13 ASP C 1 1 19 6227 1 1 14 ASP CA C 3.333 1.790 -1.729 1.00 . A A . 13 ASP CA 1 1 19 6228 1 1 14 ASP CB C 2.149 2.740 -1.906 1.00 . A A . 13 ASP CB 1 1 19 6229 1 1 14 ASP CG C 2.419 3.969 -2.779 1.00 . A A . 13 ASP CG 1 1 19 6230 1 1 14 ASP H H 2.549 0.367 -0.323 1.00 . A A . 13 ASP H 1 1 19 6231 1 1 14 ASP HA H 3.907 1.702 -2.636 1.00 . A A . 13 ASP HA 1 1 19 6232 1 1 14 ASP HB2 H 1.309 2.171 -2.307 1.00 . A A . 13 ASP HB2 1 1 19 6233 1 1 14 ASP HB3 H 1.815 3.043 -0.913 1.00 . A A . 13 ASP HB3 1 1 19 6234 1 1 14 ASP HD2 H 3.026 4.801 -1.127 1.00 . A A . 13 ASP HD2 1 1 19 6235 1 1 14 ASP N N 2.973 0.432 -1.258 1.00 . A A . 13 ASP N 1 1 19 6236 1 1 14 ASP O O 5.500 2.478 -1.114 1.00 . A A . 13 ASP O 1 1 19 6237 1 1 14 ASP OD1 O 2.202 3.999 -3.990 1.00 . A A . 13 ASP OD1 1 1 19 6238 1 1 14 ASP OD2 O 2.928 5.018 -2.057 1.00 . A A . 13 ASP OD2 1 1 19 6239 1 1 15 VAL C C 5.308 1.485 2.514 1.00 . A A . 14 VAL C 1 1 19 6240 1 1 15 VAL CA C 4.975 2.744 1.631 1.00 . A A . 14 VAL CA 1 1 19 6241 1 1 15 VAL CB C 4.690 4.056 2.372 1.00 . A A . 14 VAL CB 1 1 19 6242 1 1 15 VAL CG1 C 4.656 5.220 1.370 1.00 . A A . 14 VAL CG1 1 1 19 6243 1 1 15 VAL CG2 C 3.415 3.996 3.232 1.00 . A A . 14 VAL CG2 1 1 19 6244 1 1 15 VAL H H 3.067 2.014 0.798 1.00 . A A . 14 VAL H 1 1 19 6245 1 1 15 VAL HA H 5.938 2.890 1.116 1.00 . A A . 14 VAL HA 1 1 19 6246 1 1 15 VAL HB H 5.574 4.210 3.014 1.00 . A A . 14 VAL HB 1 1 19 6247 1 1 15 VAL HG11 H 5.568 5.208 0.741 1.00 . A A . 14 VAL HG11 1 1 19 6248 1 1 15 VAL HG12 H 3.795 5.119 0.682 1.00 . A A . 14 VAL HG12 1 1 19 6249 1 1 15 VAL HG13 H 4.591 6.189 1.881 1.00 . A A . 14 VAL HG13 1 1 19 6250 1 1 15 VAL HG21 H 3.256 4.936 3.783 1.00 . A A . 14 VAL HG21 1 1 19 6251 1 1 15 VAL HG22 H 2.523 3.800 2.607 1.00 . A A . 14 VAL HG22 1 1 19 6252 1 1 15 VAL HG23 H 3.474 3.177 3.972 1.00 . A A . 14 VAL HG23 1 1 19 6253 1 1 15 VAL N N 3.977 2.410 0.574 1.00 . A A . 14 VAL N 1 1 19 6254 1 1 15 VAL O O 5.405 1.450 3.743 1.00 . A A . 14 VAL O 1 1 19 6255 1 1 16 TYR C C 6.896 -1.200 0.756 1.00 . A A . 15 TYR C 1 1 19 6256 1 1 16 TYR CA C 5.955 -0.896 1.955 1.00 . A A . 15 TYR CA 1 1 19 6257 1 1 16 TYR CB C 4.798 -1.882 2.180 1.00 . A A . 15 TYR CB 1 1 19 6258 1 1 16 TYR CD1 C 5.783 -3.694 3.664 1.00 . A A . 15 TYR CD1 1 1 19 6259 1 1 16 TYR CD2 C 5.305 -4.242 1.360 1.00 . A A . 15 TYR CD2 1 1 19 6260 1 1 16 TYR CE1 C 6.309 -4.968 3.858 1.00 . A A . 15 TYR CE1 1 1 19 6261 1 1 16 TYR CE2 C 5.832 -5.516 1.555 1.00 . A A . 15 TYR CE2 1 1 19 6262 1 1 16 TYR CG C 5.272 -3.325 2.417 1.00 . A A . 15 TYR CG 1 1 19 6263 1 1 16 TYR CZ C 6.331 -5.882 2.805 1.00 . A A . 15 TYR CZ 1 1 19 6264 1 1 16 TYR H H 5.128 0.782 0.776 1.00 . A A . 15 TYR H 1 1 19 6265 1 1 16 TYR HA H 6.584 -0.867 2.842 1.00 . A A . 15 TYR HA 1 1 19 6266 1 1 16 TYR HB2 H 4.177 -1.547 3.033 1.00 . A A . 15 TYR HB2 1 1 19 6267 1 1 16 TYR HB3 H 4.133 -1.822 1.308 1.00 . A A . 15 TYR HB3 1 1 19 6268 1 1 16 TYR HD1 H 5.819 -2.976 4.470 1.00 . A A . 15 TYR HD1 1 1 19 6269 1 1 16 TYR HD2 H 4.969 -3.957 0.371 1.00 . A A . 15 TYR HD2 1 1 19 6270 1 1 16 TYR HE1 H 6.721 -5.226 4.823 1.00 . A A . 15 TYR HE1 1 1 19 6271 1 1 16 TYR HE2 H 5.874 -6.203 0.725 1.00 . A A . 15 TYR HE2 1 1 19 6272 1 1 16 TYR HH H 6.808 -7.622 2.169 1.00 . A A . 15 TYR HH 1 1 19 6273 1 1 16 TYR N N 5.546 0.482 1.688 1.00 . A A . 15 TYR N 1 1 19 6274 1 1 16 TYR O O 7.970 -1.760 0.989 1.00 . A A . 15 TYR O 1 1 19 6275 1 1 16 TYR OH O 6.865 -7.132 2.992 1.00 . A A . 15 TYR OH 1 1 19 6276 1 1 17 ASP C C 8.447 0.013 -1.719 1.00 . A A . 16 ASP C 1 1 19 6277 1 1 17 ASP CA C 7.382 -1.120 -1.675 1.00 . A A . 16 ASP CA 1 1 19 6278 1 1 17 ASP CB C 6.586 -1.365 -2.963 1.00 . A A . 16 ASP CB 1 1 19 6279 1 1 17 ASP CG C 7.391 -1.949 -4.130 1.00 . A A . 16 ASP CG 1 1 19 6280 1 1 17 ASP H H 5.651 -0.326 -0.549 1.00 . A A . 16 ASP H 1 1 19 6281 1 1 17 ASP HA H 7.967 -1.997 -1.438 1.00 . A A . 16 ASP HA 1 1 19 6282 1 1 17 ASP HB2 H 5.737 -2.043 -2.765 1.00 . A A . 16 ASP HB2 1 1 19 6283 1 1 17 ASP HB3 H 6.141 -0.411 -3.247 1.00 . A A . 16 ASP HB3 1 1 19 6284 1 1 17 ASP HD2 H 7.739 -0.093 -4.601 1.00 . A A . 16 ASP HD2 1 1 19 6285 1 1 17 ASP N N 6.492 -0.920 -0.514 1.00 . A A . 16 ASP N 1 1 19 6286 1 1 17 ASP O O 9.590 -0.293 -2.069 1.00 . A A . 16 ASP O 1 1 19 6287 1 1 17 ASP OD1 O 7.515 -3.158 -4.328 1.00 . A A . 16 ASP OD1 1 1 19 6288 1 1 17 ASP OD2 O 7.949 -0.974 -4.917 1.00 . A A . 16 ASP OD2 1 1 19 6289 1 1 18 LYS C C 10.120 2.164 -0.142 1.00 . A A . 17 LYS C 1 1 19 6290 1 1 18 LYS CA C 9.110 2.380 -1.336 1.00 . A A . 17 LYS CA 1 1 19 6291 1 1 18 LYS CB C 8.378 3.748 -1.279 1.00 . A A . 17 LYS CB 1 1 19 6292 1 1 18 LYS CD C 8.481 6.313 -1.456 1.00 . A A . 17 LYS CD 1 1 19 6293 1 1 18 LYS CE C 9.337 7.587 -1.606 1.00 . A A . 17 LYS CE 1 1 19 6294 1 1 18 LYS CG C 9.277 4.989 -1.472 1.00 . A A . 17 LYS CG 1 1 19 6295 1 1 18 LYS H H 7.153 1.453 -1.047 1.00 . A A . 17 LYS H 1 1 19 6296 1 1 18 LYS HA H 9.669 2.327 -2.279 1.00 . A A . 17 LYS HA 1 1 19 6297 1 1 18 LYS HB2 H 7.602 3.776 -2.068 1.00 . A A . 17 LYS HB2 1 1 19 6298 1 1 18 LYS HB3 H 7.827 3.838 -0.322 1.00 . A A . 17 LYS HB3 1 1 19 6299 1 1 18 LYS HD2 H 7.696 6.296 -2.236 1.00 . A A . 17 LYS HD2 1 1 19 6300 1 1 18 LYS HD3 H 7.932 6.383 -0.498 1.00 . A A . 17 LYS HD3 1 1 19 6301 1 1 18 LYS HE2 H 8.715 8.472 -1.378 1.00 . A A . 17 LYS HE2 1 1 19 6302 1 1 18 LYS HE3 H 10.153 7.596 -0.860 1.00 . A A . 17 LYS HE3 1 1 19 6303 1 1 18 LYS HG2 H 10.047 5.021 -0.679 1.00 . A A . 17 LYS HG2 1 1 19 6304 1 1 18 LYS HG3 H 9.829 4.897 -2.426 1.00 . A A . 17 LYS HG3 1 1 19 6305 1 1 18 LYS HZ1 H 10.479 8.604 -2.996 1.00 . A A . 17 LYS HZ1 1 1 19 6306 1 1 18 LYS HZ3 H 10.544 6.980 -3.170 1.00 . A A . 17 LYS HZ3 1 1 19 6307 1 1 18 LYS N N 8.114 1.286 -1.383 1.00 . A A . 17 LYS N 1 1 19 6308 1 1 18 LYS NZ N 9.905 7.755 -2.958 1.00 . A A . 17 LYS NZ 1 1 19 6309 1 1 18 LYS O O 11.249 2.654 -0.234 1.00 . A A . 17 LYS O 1 1 19 6310 1 1 19 VAL C C 11.561 -0.048 1.784 1.00 . A A . 18 VAL C 1 1 19 6311 1 1 19 VAL CA C 10.608 1.131 2.098 1.00 . A A . 18 VAL CA 1 1 19 6312 1 1 19 VAL CB C 9.852 1.011 3.458 1.00 . A A . 18 VAL CB 1 1 19 6313 1 1 19 VAL CG1 C 8.786 2.101 3.713 1.00 . A A . 18 VAL CG1 1 1 19 6314 1 1 19 VAL CG2 C 9.278 -0.358 3.866 1.00 . A A . 18 VAL CG2 1 1 19 6315 1 1 19 VAL H H 8.889 0.871 0.847 1.00 . A A . 18 VAL H 1 1 19 6316 1 1 19 VAL HA H 11.265 1.991 2.182 1.00 . A A . 18 VAL HA 1 1 19 6317 1 1 19 VAL HB H 10.654 1.170 4.156 1.00 . A A . 18 VAL HB 1 1 19 6318 1 1 19 VAL HG11 H 7.942 2.001 3.009 1.00 . A A . 18 VAL HG11 1 1 19 6319 1 1 19 VAL HG12 H 9.200 3.116 3.581 1.00 . A A . 18 VAL HG12 1 1 19 6320 1 1 19 VAL HG13 H 8.363 2.044 4.733 1.00 . A A . 18 VAL HG13 1 1 19 6321 1 1 19 VAL HG21 H 8.639 -0.765 3.079 1.00 . A A . 18 VAL HG21 1 1 19 6322 1 1 19 VAL HG22 H 8.697 -0.317 4.804 1.00 . A A . 18 VAL HG22 1 1 19 6323 1 1 19 VAL HG23 H 10.089 -1.091 4.029 1.00 . A A . 18 VAL HG23 1 1 19 6324 1 1 19 VAL N N 9.734 1.438 0.948 1.00 . A A . 18 VAL N 1 1 19 6325 1 1 19 VAL O O 12.778 0.079 1.954 1.00 . A A . 18 VAL O 1 1 19 6326 1 1 20 LYS C C 12.760 -2.122 -0.271 1.00 . A A . 19 LYS C 1 1 19 6327 1 1 20 LYS CA C 11.760 -2.385 0.924 1.00 . A A . 19 LYS CA 1 1 19 6328 1 1 20 LYS CB C 10.739 -3.519 0.619 1.00 . A A . 19 LYS CB 1 1 19 6329 1 1 20 LYS CD C 12.004 -5.584 1.582 1.00 . A A . 19 LYS CD 1 1 19 6330 1 1 20 LYS CE C 12.475 -7.022 1.298 1.00 . A A . 19 LYS CE 1 1 19 6331 1 1 20 LYS CG C 11.296 -4.941 0.372 1.00 . A A . 19 LYS CG 1 1 19 6332 1 1 20 LYS H H 9.961 -1.138 1.391 1.00 . A A . 19 LYS H 1 1 19 6333 1 1 20 LYS HA H 12.347 -2.685 1.807 1.00 . A A . 19 LYS HA 1 1 19 6334 1 1 20 LYS HB2 H 10.006 -3.594 1.447 1.00 . A A . 19 LYS HB2 1 1 19 6335 1 1 20 LYS HB3 H 10.134 -3.232 -0.263 1.00 . A A . 19 LYS HB3 1 1 19 6336 1 1 20 LYS HD2 H 12.871 -4.962 1.875 1.00 . A A . 19 LYS HD2 1 1 19 6337 1 1 20 LYS HD3 H 11.319 -5.579 2.452 1.00 . A A . 19 LYS HD3 1 1 19 6338 1 1 20 LYS HE2 H 11.618 -7.661 1.016 1.00 . A A . 19 LYS HE2 1 1 19 6339 1 1 20 LYS HE3 H 13.171 -7.038 0.438 1.00 . A A . 19 LYS HE3 1 1 19 6340 1 1 20 LYS HG2 H 10.451 -5.589 0.067 1.00 . A A . 19 LYS HG2 1 1 19 6341 1 1 20 LYS HG3 H 11.974 -4.931 -0.501 1.00 . A A . 19 LYS HG3 1 1 19 6342 1 1 20 LYS HZ1 H 13.987 -7.070 2.703 1.00 . A A . 19 LYS HZ1 1 1 19 6343 1 1 20 LYS HZ3 H 13.481 -8.556 2.245 1.00 . A A . 19 LYS HZ3 1 1 19 6344 1 1 20 LYS N N 10.987 -1.180 1.332 1.00 . A A . 19 LYS N 1 1 19 6345 1 1 20 LYS NZ N 13.147 -7.612 2.469 1.00 . A A . 19 LYS NZ 1 1 19 6346 1 1 20 LYS O O 13.687 -2.911 -0.474 1.00 . A A . 19 LYS O 1 1 19 6347 1 1 21 GLU C C 14.617 0.264 -1.660 1.00 . A A . 20 GLU C 1 1 19 6348 1 1 21 GLU CA C 13.428 -0.594 -2.150 1.00 . A A . 20 GLU CA 1 1 19 6349 1 1 21 GLU CB C 12.533 0.037 -3.234 1.00 . A A . 20 GLU CB 1 1 19 6350 1 1 21 GLU CD C 12.267 0.978 -5.594 1.00 . A A . 20 GLU CD 1 1 19 6351 1 1 21 GLU CG C 13.235 0.407 -4.555 1.00 . A A . 20 GLU CG 1 1 19 6352 1 1 21 GLU H H 11.943 -0.326 -0.603 1.00 . A A . 20 GLU H 1 1 19 6353 1 1 21 GLU HA H 13.840 -1.482 -2.575 1.00 . A A . 20 GLU HA 1 1 19 6354 1 1 21 GLU HB2 H 11.698 -0.655 -3.448 1.00 . A A . 20 GLU HB2 1 1 19 6355 1 1 21 GLU HB3 H 12.068 0.928 -2.800 1.00 . A A . 20 GLU HB3 1 1 19 6356 1 1 21 GLU HE2 H 11.488 2.687 -6.109 1.00 . A A . 20 GLU HE2 1 1 19 6357 1 1 21 GLU HG2 H 14.040 1.140 -4.362 1.00 . A A . 20 GLU HG2 1 1 19 6358 1 1 21 GLU HG3 H 13.732 -0.485 -4.976 1.00 . A A . 20 GLU HG3 1 1 19 6359 1 1 21 GLU N N 12.569 -1.017 -1.032 1.00 . A A . 20 GLU N 1 1 19 6360 1 1 21 GLU O O 15.778 -0.133 -1.760 1.00 . A A . 20 GLU O 1 1 19 6361 1 1 21 GLU OE1 O 11.713 0.292 -6.453 1.00 . A A . 20 GLU OE1 1 1 19 6362 1 1 21 GLU OE2 O 12.095 2.332 -5.455 1.00 . A A . 20 GLU OE2 1 1 19 6363 1 1 22 NH2 HN1 H 14.355 1.128 -0.041 1.00 . A A . 21 NH2 HN1 1 1 19 6364 1 1 22 NH2 HN2 H 13.516 1.842 -1.426 1.00 . A A . 21 NH2 HN2 1 1 19 6365 1 1 22 NH2 N N 14.349 1.390 -1.029 1.00 . A A . 21 NH2 N 1 1 20 6366 1 1 2 GLU C C -13.322 -3.141 -1.399 1.00 . A A . 1 ACE C 1 1 20 6367 1 1 2 GLU CA C -14.240 -0.865 -0.864 1.00 . A A . 1 ACE CA 1 1 20 6368 1 1 2 GLU CB C -15.460 -0.530 0.068 1.00 . A A . 1 ACE CB 1 1 20 6369 1 1 2 GLU CD C -16.964 -2.660 0.244 1.00 . A A . 1 ACE CD 1 1 20 6370 1 1 2 GLU CG C -16.818 -1.208 -0.224 1.00 . A A . 1 ACE CG 1 1 20 6371 1 1 2 GLU H H -14.462 -2.766 0.129 1.00 . A A . 1 ACE H 1 1 20 6372 1 1 2 GLU HA H -14.656 -0.812 -1.884 1.00 . A A . 1 ACE HA 1 1 20 6373 1 1 2 GLU HB2 H -15.176 -0.639 1.133 1.00 . A A . 1 ACE HB2 1 1 20 6374 1 1 2 GLU HB3 H -15.686 0.545 -0.029 1.00 . A A . 1 ACE HB3 1 1 20 6375 1 1 2 GLU HE2 H -17.154 -1.891 2.022 1.00 . A A . 1 ACE HE2 1 1 20 6376 1 1 2 GLU HG2 H -17.611 -0.608 0.259 1.00 . A A . 1 ACE HG2 1 1 20 6377 1 1 2 GLU HG3 H -17.030 -1.138 -1.307 1.00 . A A . 1 ACE HG3 1 1 20 6378 1 1 2 GLU N N -13.858 -2.265 -0.530 1.00 . A A . 1 ACE N 1 1 20 6379 1 1 2 GLU O O -13.259 -4.320 -1.052 1.00 . A A . 1 ACE O 1 1 20 6380 1 1 2 GLU OE1 O -16.919 -3.625 -0.519 1.00 . A A . 1 ACE OE1 1 1 20 6381 1 1 2 GLU OE2 O -17.148 -2.753 1.600 1.00 . A A . 1 ACE OE2 1 1 20 6382 1 1 3 SER C C -11.210 2.150 0.696 1.00 . A A . 2 SER C 1 1 20 6383 1 1 3 SER CA C -12.344 2.512 -0.277 1.00 . A A . 2 SER CA 1 1 20 6384 1 1 3 SER CB C -13.078 3.793 0.137 1.00 . A A . 2 SER CB 1 1 20 6385 1 1 3 SER H H -14.345 1.585 -0.398 1.00 . A A . 2 SER H 1 1 20 6386 1 1 3 SER HA H -11.916 2.735 -1.255 1.00 . A A . 2 SER HA 1 1 20 6387 1 1 3 SER HB2 H -14.014 3.918 -0.425 1.00 . A A . 2 SER HB2 1 1 20 6388 1 1 3 SER HB3 H -13.376 3.702 1.182 1.00 . A A . 2 SER HB3 1 1 20 6389 1 1 3 SER HG H -11.479 4.794 0.514 1.00 . A A . 2 SER HG 1 1 20 6390 1 1 3 SER N N -13.338 1.416 -0.456 1.00 . A A . 2 SER N 1 1 20 6391 1 1 3 SER O O -10.045 2.319 0.346 1.00 . A A . 2 SER O 1 1 20 6392 1 1 3 SER OG O -12.255 4.942 -0.031 1.00 . A A . 2 SER OG 1 1 20 6393 1 1 4 ALA C C -9.920 -0.233 2.680 1.00 . A A . 3 ALA C 1 1 20 6394 1 1 4 ALA CA C -10.591 1.177 2.908 1.00 . A A . 3 ALA CA 1 1 20 6395 1 1 4 ALA CB C -11.268 1.257 4.274 1.00 . A A . 3 ALA CB 1 1 20 6396 1 1 4 ALA H H -12.596 1.612 1.977 1.00 . A A . 3 ALA H 1 1 20 6397 1 1 4 ALA HA H -9.742 1.888 2.846 1.00 . A A . 3 ALA HA 1 1 20 6398 1 1 4 ALA HB1 H -10.550 1.019 5.077 1.00 . A A . 3 ALA HB1 1 1 20 6399 1 1 4 ALA HB2 H -12.102 0.532 4.336 1.00 . A A . 3 ALA HB2 1 1 20 6400 1 1 4 ALA HB3 H -11.671 2.268 4.463 1.00 . A A . 3 ALA HB3 1 1 20 6401 1 1 4 ALA N N -11.578 1.640 1.887 1.00 . A A . 3 ALA N 1 1 20 6402 1 1 4 ALA O O -9.409 -0.906 3.578 1.00 . A A . 3 ALA O 1 1 20 6403 1 1 5 LYS C C -8.909 -1.498 -0.720 1.00 . A A . 4 LYS C 1 1 20 6404 1 1 5 LYS CA C -9.419 -1.819 0.757 1.00 . A A . 4 LYS CA 1 1 20 6405 1 1 5 LYS CB C -10.363 -3.046 0.853 1.00 . A A . 4 LYS CB 1 1 20 6406 1 1 5 LYS CD C -8.673 -4.955 0.266 1.00 . A A . 4 LYS CD 1 1 20 6407 1 1 5 LYS CE C -8.043 -6.301 0.678 1.00 . A A . 4 LYS CE 1 1 20 6408 1 1 5 LYS CG C -9.697 -4.376 1.270 1.00 . A A . 4 LYS CG 1 1 20 6409 1 1 5 LYS H H -10.579 0.037 0.916 1.00 . A A . 4 LYS H 1 1 20 6410 1 1 5 LYS HA H -8.485 -1.972 1.314 1.00 . A A . 4 LYS HA 1 1 20 6411 1 1 5 LYS HB2 H -11.172 -2.844 1.580 1.00 . A A . 4 LYS HB2 1 1 20 6412 1 1 5 LYS HB3 H -10.891 -3.175 -0.107 1.00 . A A . 4 LYS HB3 1 1 20 6413 1 1 5 LYS HD2 H -9.132 -5.047 -0.736 1.00 . A A . 4 LYS HD2 1 1 20 6414 1 1 5 LYS HD3 H -7.850 -4.227 0.142 1.00 . A A . 4 LYS HD3 1 1 20 6415 1 1 5 LYS HE2 H -7.187 -6.520 0.014 1.00 . A A . 4 LYS HE2 1 1 20 6416 1 1 5 LYS HE3 H -7.620 -6.235 1.698 1.00 . A A . 4 LYS HE3 1 1 20 6417 1 1 5 LYS HG2 H -9.217 -4.248 2.259 1.00 . A A . 4 LYS HG2 1 1 20 6418 1 1 5 LYS HG3 H -10.499 -5.120 1.433 1.00 . A A . 4 LYS HG3 1 1 20 6419 1 1 5 LYS HZ1 H -9.759 -7.290 1.269 1.00 . A A . 4 LYS HZ1 1 1 20 6420 1 1 5 LYS HZ3 H -8.522 -8.297 0.910 1.00 . A A . 4 LYS HZ3 1 1 20 6421 1 1 5 LYS N N -9.978 -0.617 1.414 1.00 . A A . 4 LYS N 1 1 20 6422 1 1 5 LYS NZ N -8.987 -7.434 0.609 1.00 . A A . 4 LYS NZ 1 1 20 6423 1 1 5 LYS O O -8.752 -2.368 -1.579 1.00 . A A . 4 LYS O 1 1 20 6424 1 1 6 HIS C C -7.013 1.395 -1.610 1.00 . A A . 5 HIS C 1 1 20 6425 1 1 6 HIS CA C -8.146 0.469 -2.158 1.00 . A A . 5 HIS CA 1 1 20 6426 1 1 6 HIS CB C -9.183 1.235 -3.014 1.00 . A A . 5 HIS CB 1 1 20 6427 1 1 6 HIS CD2 C -9.765 -0.742 -4.616 1.00 . A A . 5 HIS CD2 1 1 20 6428 1 1 6 HIS CE1 C -11.777 -0.256 -4.993 1.00 . A A . 5 HIS CE1 1 1 20 6429 1 1 6 HIS CG C -10.133 0.375 -3.843 1.00 . A A . 5 HIS CG 1 1 20 6430 1 1 6 HIS H H -9.344 0.310 -0.360 1.00 . A A . 5 HIS H 1 1 20 6431 1 1 6 HIS HA H -7.613 -0.299 -2.727 1.00 . A A . 5 HIS HA 1 1 20 6432 1 1 6 HIS HB2 H -9.761 1.926 -2.370 1.00 . A A . 5 HIS HB2 1 1 20 6433 1 1 6 HIS HB3 H -8.648 1.896 -3.721 1.00 . A A . 5 HIS HB3 1 1 20 6434 1 1 6 HIS HD2 H -8.774 -1.172 -4.661 1.00 . A A . 5 HIS HD2 1 1 20 6435 1 1 6 HIS HE1 H -12.771 -0.298 -5.414 1.00 . A A . 5 HIS HE1 1 1 20 6436 1 1 6 HIS HE2 H -10.898 -1.942 -6.051 1.00 . A A . 5 HIS HE2 1 1 20 6437 1 1 6 HIS N N -8.679 -0.199 -0.954 1.00 . A A . 5 HIS N 1 1 20 6438 1 1 6 HIS ND1 N -11.459 0.723 -4.085 1.00 . A A . 5 HIS ND1 1 1 20 6439 1 1 6 HIS NE2 N -10.836 -1.177 -5.370 1.00 . A A . 5 HIS NE2 1 1 20 6440 1 1 6 HIS O O -5.923 1.397 -2.188 1.00 . A A . 5 HIS O 1 1 20 6441 1 1 7 MET C C -5.332 2.119 0.888 1.00 . A A . 6 MET C 1 1 20 6442 1 1 7 MET CA C -6.259 3.078 0.101 1.00 . A A . 6 MET CA 1 1 20 6443 1 1 7 MET CB C -6.891 4.232 0.931 1.00 . A A . 6 MET CB 1 1 20 6444 1 1 7 MET CE C -6.538 5.122 4.256 1.00 . A A . 6 MET CE 1 1 20 6445 1 1 7 MET CG C -7.853 3.890 2.082 1.00 . A A . 6 MET CG 1 1 20 6446 1 1 7 MET H H -8.081 1.966 0.000 1.00 . A A . 6 MET H 1 1 20 6447 1 1 7 MET HA H -5.616 3.478 -0.687 1.00 . A A . 6 MET HA 1 1 20 6448 1 1 7 MET HB2 H -6.073 4.826 1.365 1.00 . A A . 6 MET HB2 1 1 20 6449 1 1 7 MET HB3 H -7.441 4.909 0.255 1.00 . A A . 6 MET HB3 1 1 20 6450 1 1 7 MET HE1 H -6.591 5.809 5.120 1.00 . A A . 6 MET HE1 1 1 20 6451 1 1 7 MET HE2 H -5.631 5.372 3.678 1.00 . A A . 6 MET HE2 1 1 20 6452 1 1 7 MET HE3 H -6.430 4.094 4.643 1.00 . A A . 6 MET HE3 1 1 20 6453 1 1 7 MET HG2 H -8.855 3.672 1.682 1.00 . A A . 6 MET HG2 1 1 20 6454 1 1 7 MET HG3 H -7.541 2.983 2.621 1.00 . A A . 6 MET HG3 1 1 20 6455 1 1 7 MET N N -7.265 2.219 -0.551 1.00 . A A . 6 MET N 1 1 20 6456 1 1 7 MET O O -4.131 2.175 0.662 1.00 . A A . 6 MET O 1 1 20 6457 1 1 7 MET SD S -8.017 5.283 3.233 1.00 . A A . 6 MET SD 1 1 20 6458 1 1 8 PHE C C -4.379 -0.797 1.562 1.00 . A A . 7 PHE C 1 1 20 6459 1 1 8 PHE CA C -5.095 0.216 2.504 1.00 . A A . 7 PHE CA 1 1 20 6460 1 1 8 PHE CB C -6.061 -0.485 3.485 1.00 . A A . 7 PHE CB 1 1 20 6461 1 1 8 PHE CD1 C -5.264 -0.075 5.858 1.00 . A A . 7 PHE CD1 1 1 20 6462 1 1 8 PHE CD2 C -7.201 1.136 5.074 1.00 . A A . 7 PHE CD2 1 1 20 6463 1 1 8 PHE CE1 C -5.355 0.578 7.083 1.00 . A A . 7 PHE CE1 1 1 20 6464 1 1 8 PHE CE2 C -7.293 1.786 6.298 1.00 . A A . 7 PHE CE2 1 1 20 6465 1 1 8 PHE CG C -6.185 0.203 4.846 1.00 . A A . 7 PHE CG 1 1 20 6466 1 1 8 PHE CZ C -6.369 1.509 7.306 1.00 . A A . 7 PHE CZ 1 1 20 6467 1 1 8 PHE H H -6.887 1.197 1.746 1.00 . A A . 7 PHE H 1 1 20 6468 1 1 8 PHE HA H -4.312 0.753 3.047 1.00 . A A . 7 PHE HA 1 1 20 6469 1 1 8 PHE HB2 H -7.048 -0.516 3.006 1.00 . A A . 7 PHE HB2 1 1 20 6470 1 1 8 PHE HB3 H -5.805 -1.553 3.623 1.00 . A A . 7 PHE HB3 1 1 20 6471 1 1 8 PHE HD1 H -4.466 -0.787 5.696 1.00 . A A . 7 PHE HD1 1 1 20 6472 1 1 8 PHE HD2 H -7.918 1.372 4.301 1.00 . A A . 7 PHE HD2 1 1 20 6473 1 1 8 PHE HE1 H -4.624 0.357 7.843 1.00 . A A . 7 PHE HE1 1 1 20 6474 1 1 8 PHE HE2 H -8.079 2.510 6.440 1.00 . A A . 7 PHE HE2 1 1 20 6475 1 1 8 PHE HZ H -6.436 2.018 8.256 1.00 . A A . 7 PHE HZ 1 1 20 6476 1 1 8 PHE N N -5.868 1.230 1.748 1.00 . A A . 7 PHE N 1 1 20 6477 1 1 8 PHE O O -3.280 -1.244 1.895 1.00 . A A . 7 PHE O 1 1 20 6478 1 1 9 ASP C C -3.124 -1.378 -1.211 1.00 . A A . 8 ASP C 1 1 20 6479 1 1 9 ASP CA C -4.384 -2.070 -0.598 1.00 . A A . 8 ASP CA 1 1 20 6480 1 1 9 ASP CB C -5.433 -2.399 -1.682 1.00 . A A . 8 ASP CB 1 1 20 6481 1 1 9 ASP CG C -5.085 -3.585 -2.590 1.00 . A A . 8 ASP CG 1 1 20 6482 1 1 9 ASP H H -5.999 -0.905 0.421 1.00 . A A . 8 ASP H 1 1 20 6483 1 1 9 ASP HA H -4.132 -3.028 -0.102 1.00 . A A . 8 ASP HA 1 1 20 6484 1 1 9 ASP HB2 H -6.384 -2.614 -1.184 1.00 . A A . 8 ASP HB2 1 1 20 6485 1 1 9 ASP HB3 H -5.646 -1.512 -2.306 1.00 . A A . 8 ASP HB3 1 1 20 6486 1 1 9 ASP HD2 H -5.911 -4.673 -1.203 1.00 . A A . 8 ASP HD2 1 1 20 6487 1 1 9 ASP N N -5.001 -1.160 0.413 1.00 . A A . 8 ASP N 1 1 20 6488 1 1 9 ASP O O -2.064 -2.005 -1.296 1.00 . A A . 8 ASP O 1 1 20 6489 1 1 9 ASP OD1 O -4.511 -3.463 -3.672 1.00 . A A . 8 ASP OD1 1 1 20 6490 1 1 9 ASP OD2 O -5.482 -4.784 -2.054 1.00 . A A . 8 ASP OD2 1 1 20 6491 1 1 10 ARG C C -1.093 0.963 -1.067 1.00 . A A . 9 ARG C 1 1 20 6492 1 1 10 ARG CA C -2.159 0.734 -2.161 1.00 . A A . 9 ARG CA 1 1 20 6493 1 1 10 ARG CB C -2.639 2.068 -2.789 1.00 . A A . 9 ARG CB 1 1 20 6494 1 1 10 ARG CD C -2.747 1.440 -5.314 1.00 . A A . 9 ARG CD 1 1 20 6495 1 1 10 ARG CG C -3.500 1.962 -4.070 1.00 . A A . 9 ARG CG 1 1 20 6496 1 1 10 ARG CZ C -3.756 2.387 -7.418 1.00 . A A . 9 ARG CZ 1 1 20 6497 1 1 10 ARG H H -4.229 0.272 -1.504 1.00 . A A . 9 ARG H 1 1 20 6498 1 1 10 ARG HA H -1.670 0.122 -2.919 1.00 . A A . 9 ARG HA 1 1 20 6499 1 1 10 ARG HB2 H -3.205 2.643 -2.031 1.00 . A A . 9 ARG HB2 1 1 20 6500 1 1 10 ARG HB3 H -1.761 2.703 -3.019 1.00 . A A . 9 ARG HB3 1 1 20 6501 1 1 10 ARG HD2 H -1.837 2.042 -5.501 1.00 . A A . 9 ARG HD2 1 1 20 6502 1 1 10 ARG HD3 H -2.379 0.416 -5.124 1.00 . A A . 9 ARG HD3 1 1 20 6503 1 1 10 ARG HG2 H -4.387 1.332 -3.873 1.00 . A A . 9 ARG HG2 1 1 20 6504 1 1 10 ARG HG3 H -3.904 2.968 -4.292 1.00 . A A . 9 ARG HG3 1 1 20 6505 1 1 10 ARG HH11 H -2.509 3.694 -6.532 1.00 . A A . 9 ARG HH11 1 1 20 6506 1 1 10 ARG HH12 H -3.324 4.236 -8.084 1.00 . A A . 9 ARG HH12 1 1 20 6507 1 1 10 ARG HH21 H -5.036 1.276 -8.484 1.00 . A A . 9 ARG HH21 1 1 20 6508 1 1 10 ARG HH22 H -4.657 2.958 -9.112 1.00 . A A . 9 ARG HH22 1 1 20 6509 1 1 10 ARG N N -3.268 -0.087 -1.616 1.00 . A A . 9 ARG N 1 1 20 6510 1 1 10 ARG NE N -3.615 1.392 -6.519 1.00 . A A . 9 ARG NE 1 1 20 6511 1 1 10 ARG NH1 N -3.131 3.561 -7.336 1.00 . A A . 9 ARG NH1 1 1 20 6512 1 1 10 ARG NH2 N -4.565 2.187 -8.442 1.00 . A A . 9 ARG NH2 1 1 20 6513 1 1 10 ARG O O 0.046 0.540 -1.253 1.00 . A A . 9 ARG O 1 1 20 6514 1 1 11 ILE C C 0.289 0.541 1.641 1.00 . A A . 10 ILE C 1 1 20 6515 1 1 11 ILE CA C -0.559 1.800 1.255 1.00 . A A . 10 ILE CA 1 1 20 6516 1 1 11 ILE CB C -1.476 2.372 2.381 1.00 . A A . 10 ILE CB 1 1 20 6517 1 1 11 ILE CD1 C -3.109 4.341 2.820 1.00 . A A . 10 ILE CD1 1 1 20 6518 1 1 11 ILE CG1 C -1.887 3.835 2.058 1.00 . A A . 10 ILE CG1 1 1 20 6519 1 1 11 ILE CG2 C -0.966 2.236 3.826 1.00 . A A . 10 ILE CG2 1 1 20 6520 1 1 11 ILE H H -2.459 1.842 0.169 1.00 . A A . 10 ILE H 1 1 20 6521 1 1 11 ILE HA H 0.147 2.580 0.961 1.00 . A A . 10 ILE HA 1 1 20 6522 1 1 11 ILE HB H -2.375 1.752 2.367 1.00 . A A . 10 ILE HB 1 1 20 6523 1 1 11 ILE HD11 H -2.876 4.509 3.882 1.00 . A A . 10 ILE HD11 1 1 20 6524 1 1 11 ILE HD12 H -3.935 3.609 2.768 1.00 . A A . 10 ILE HD12 1 1 20 6525 1 1 11 ILE HD13 H -3.471 5.282 2.373 1.00 . A A . 10 ILE HD13 1 1 20 6526 1 1 11 ILE HG12 H -1.023 4.503 2.188 1.00 . A A . 10 ILE HG12 1 1 20 6527 1 1 11 ILE HG13 H -2.149 3.912 0.989 1.00 . A A . 10 ILE HG13 1 1 20 6528 1 1 11 ILE HG21 H -0.024 2.785 3.977 1.00 . A A . 10 ILE HG21 1 1 20 6529 1 1 11 ILE HG22 H -0.803 1.172 4.077 1.00 . A A . 10 ILE HG22 1 1 20 6530 1 1 11 ILE HG23 H -1.719 2.602 4.546 1.00 . A A . 10 ILE HG23 1 1 20 6531 1 1 11 ILE N N -1.463 1.567 0.080 1.00 . A A . 10 ILE N 1 1 20 6532 1 1 11 ILE O O 1.488 0.653 1.911 1.00 . A A . 10 ILE O 1 1 20 6533 1 1 12 GLY C C 1.417 -2.356 0.977 1.00 . A A . 11 GLY C 1 1 20 6534 1 1 12 GLY CA C 0.254 -1.941 1.915 1.00 . A A . 11 GLY CA 1 1 20 6535 1 1 12 GLY H H -1.379 -0.506 1.475 1.00 . A A . 11 GLY H 1 1 20 6536 1 1 12 GLY HA2 H 0.622 -1.912 2.951 1.00 . A A . 11 GLY HA2 1 1 20 6537 1 1 12 GLY HA3 H -0.526 -2.713 1.834 1.00 . A A . 11 GLY HA3 1 1 20 6538 1 1 12 GLY N N -0.375 -0.631 1.644 1.00 . A A . 11 GLY N 1 1 20 6539 1 1 12 GLY O O 2.223 -3.200 1.368 1.00 . A A . 11 GLY O 1 1 20 6540 1 1 13 LYS C C 2.807 -0.741 -2.072 1.00 . A A . 12 LYS C 1 1 20 6541 1 1 13 LYS CA C 2.478 -2.064 -1.287 1.00 . A A . 12 LYS CA 1 1 20 6542 1 1 13 LYS CB C 2.206 -3.287 -2.212 1.00 . A A . 12 LYS CB 1 1 20 6543 1 1 13 LYS CD C 2.104 -5.847 -2.520 1.00 . A A . 12 LYS CD 1 1 20 6544 1 1 13 LYS CE C 2.121 -7.245 -1.869 1.00 . A A . 12 LYS CE 1 1 20 6545 1 1 13 LYS CG C 2.237 -4.672 -1.528 1.00 . A A . 12 LYS CG 1 1 20 6546 1 1 13 LYS H H 0.574 -1.303 -0.472 1.00 . A A . 12 LYS H 1 1 20 6547 1 1 13 LYS HA H 3.421 -2.202 -0.733 1.00 . A A . 12 LYS HA 1 1 20 6548 1 1 13 LYS HB2 H 1.241 -3.151 -2.737 1.00 . A A . 12 LYS HB2 1 1 20 6549 1 1 13 LYS HB3 H 2.970 -3.298 -3.013 1.00 . A A . 12 LYS HB3 1 1 20 6550 1 1 13 LYS HD2 H 1.152 -5.737 -3.073 1.00 . A A . 12 LYS HD2 1 1 20 6551 1 1 13 LYS HD3 H 2.894 -5.785 -3.292 1.00 . A A . 12 LYS HD3 1 1 20 6552 1 1 13 LYS HE2 H 1.360 -7.309 -1.070 1.00 . A A . 12 LYS HE2 1 1 20 6553 1 1 13 LYS HE3 H 1.827 -8.000 -2.621 1.00 . A A . 12 LYS HE3 1 1 20 6554 1 1 13 LYS HG2 H 3.179 -4.776 -0.960 1.00 . A A . 12 LYS HG2 1 1 20 6555 1 1 13 LYS HG3 H 1.425 -4.735 -0.780 1.00 . A A . 12 LYS HG3 1 1 20 6556 1 1 13 LYS HZ1 H 3.707 -6.977 -0.571 1.00 . A A . 12 LYS HZ1 1 1 20 6557 1 1 13 LYS HZ3 H 3.389 -8.549 -0.887 1.00 . A A . 12 LYS HZ3 1 1 20 6558 1 1 13 LYS N N 1.419 -1.845 -0.270 1.00 . A A . 12 LYS N 1 1 20 6559 1 1 13 LYS NZ N 3.440 -7.622 -1.323 1.00 . A A . 12 LYS NZ 1 1 20 6560 1 1 13 LYS O O 2.957 -0.723 -3.298 1.00 . A A . 12 LYS O 1 1 20 6561 1 1 14 ASP C C 4.388 2.151 -0.807 1.00 . A A . 13 ASP C 1 1 20 6562 1 1 14 ASP CA C 3.333 1.716 -1.807 1.00 . A A . 13 ASP CA 1 1 20 6563 1 1 14 ASP CB C 2.154 2.674 -1.975 1.00 . A A . 13 ASP CB 1 1 20 6564 1 1 14 ASP CG C 2.431 3.909 -2.836 1.00 . A A . 13 ASP CG 1 1 20 6565 1 1 14 ASP H H 2.562 0.309 -0.373 1.00 . A A . 13 ASP H 1 1 20 6566 1 1 14 ASP HA H 3.891 1.616 -2.725 1.00 . A A . 13 ASP HA 1 1 20 6567 1 1 14 ASP HB2 H 1.307 2.109 -2.365 1.00 . A A . 13 ASP HB2 1 1 20 6568 1 1 14 ASP HB3 H 1.836 2.982 -0.979 1.00 . A A . 13 ASP HB3 1 1 20 6569 1 1 14 ASP HD2 H 2.373 4.452 -4.705 1.00 . A A . 13 ASP HD2 1 1 20 6570 1 1 14 ASP N N 2.965 0.366 -1.317 1.00 . A A . 13 ASP N 1 1 20 6571 1 1 14 ASP O O 5.515 2.400 -1.238 1.00 . A A . 13 ASP O 1 1 20 6572 1 1 14 ASP OD1 O 2.823 4.982 -2.376 1.00 . A A . 13 ASP OD1 1 1 20 6573 1 1 14 ASP OD2 O 2.197 3.676 -4.167 1.00 . A A . 13 ASP OD2 1 1 20 6574 1 1 15 VAL C C 5.364 1.417 2.399 1.00 . A A . 14 VAL C 1 1 20 6575 1 1 15 VAL CA C 5.035 2.680 1.517 1.00 . A A . 14 VAL CA 1 1 20 6576 1 1 15 VAL CB C 4.770 3.998 2.254 1.00 . A A . 14 VAL CB 1 1 20 6577 1 1 15 VAL CG1 C 4.716 5.158 1.247 1.00 . A A . 14 VAL CG1 1 1 20 6578 1 1 15 VAL CG2 C 3.513 3.949 3.141 1.00 . A A . 14 VAL CG2 1 1 20 6579 1 1 15 VAL H H 3.109 1.959 0.717 1.00 . A A . 14 VAL H 1 1 20 6580 1 1 15 VAL HA H 5.986 2.827 0.981 1.00 . A A . 14 VAL HA 1 1 20 6581 1 1 15 VAL HB H 5.670 4.152 2.874 1.00 . A A . 14 VAL HB 1 1 20 6582 1 1 15 VAL HG11 H 5.607 5.137 0.591 1.00 . A A . 14 VAL HG11 1 1 20 6583 1 1 15 VAL HG12 H 3.834 5.061 0.585 1.00 . A A . 14 VAL HG12 1 1 20 6584 1 1 15 VAL HG13 H 4.675 6.130 1.755 1.00 . A A . 14 VAL HG13 1 1 20 6585 1 1 15 VAL HG21 H 3.586 3.139 3.890 1.00 . A A . 14 VAL HG21 1 1 20 6586 1 1 15 VAL HG22 H 2.609 3.745 2.536 1.00 . A A . 14 VAL HG22 1 1 20 6587 1 1 15 VAL HG23 H 3.365 4.895 3.683 1.00 . A A . 14 VAL HG23 1 1 20 6588 1 1 15 VAL N N 4.020 2.344 0.479 1.00 . A A . 14 VAL N 1 1 20 6589 1 1 15 VAL O O 5.420 1.365 3.629 1.00 . A A . 14 VAL O 1 1 20 6590 1 1 16 TYR C C 6.931 -1.243 0.565 1.00 . A A . 15 TYR C 1 1 20 6591 1 1 16 TYR CA C 6.040 -0.956 1.816 1.00 . A A . 15 TYR CA 1 1 20 6592 1 1 16 TYR CB C 4.881 -1.933 2.055 1.00 . A A . 15 TYR CB 1 1 20 6593 1 1 16 TYR CD1 C 5.838 -3.800 3.486 1.00 . A A . 15 TYR CD1 1 1 20 6594 1 1 16 TYR CD2 C 5.374 -4.267 1.161 1.00 . A A . 15 TYR CD2 1 1 20 6595 1 1 16 TYR CE1 C 6.346 -5.086 3.643 1.00 . A A . 15 TYR CE1 1 1 20 6596 1 1 16 TYR CE2 C 5.881 -5.554 1.320 1.00 . A A . 15 TYR CE2 1 1 20 6597 1 1 16 TYR CG C 5.342 -3.385 2.247 1.00 . A A . 15 TYR CG 1 1 20 6598 1 1 16 TYR CZ C 6.363 -5.967 2.562 1.00 . A A . 15 TYR CZ 1 1 20 6599 1 1 16 TYR H H 5.187 0.723 0.664 1.00 . A A . 15 TYR H 1 1 20 6600 1 1 16 TYR HA H 6.691 -0.941 2.697 1.00 . A A . 15 TYR HA 1 1 20 6601 1 1 16 TYR HB2 H 4.289 -1.607 2.932 1.00 . A A . 15 TYR HB2 1 1 20 6602 1 1 16 TYR HB3 H 4.191 -1.846 1.205 1.00 . A A . 15 TYR HB3 1 1 20 6603 1 1 16 TYR HD1 H 5.876 -3.108 4.314 1.00 . A A . 15 TYR HD1 1 1 20 6604 1 1 16 TYR HD2 H 5.060 -3.942 0.178 1.00 . A A . 15 TYR HD2 1 1 20 6605 1 1 16 TYR HE1 H 6.747 -5.377 4.603 1.00 . A A . 15 TYR HE1 1 1 20 6606 1 1 16 TYR HE2 H 5.923 -6.211 0.466 1.00 . A A . 15 TYR HE2 1 1 20 6607 1 1 16 TYR HH H 7.169 -7.342 3.621 1.00 . A A . 15 TYR HH 1 1 20 6608 1 1 16 TYR N N 5.625 0.425 1.567 1.00 . A A . 15 TYR N 1 1 20 6609 1 1 16 TYR O O 8.008 -1.809 0.752 1.00 . A A . 15 TYR O 1 1 20 6610 1 1 16 TYR OH O 6.877 -7.230 2.713 1.00 . A A . 15 TYR OH 1 1 20 6611 1 1 17 ASP C C 8.445 -0.048 -1.888 1.00 . A A . 16 ASP C 1 1 20 6612 1 1 17 ASP CA C 7.311 -1.123 -1.905 1.00 . A A . 16 ASP CA 1 1 20 6613 1 1 17 ASP CB C 6.453 -1.204 -3.175 1.00 . A A . 16 ASP CB 1 1 20 6614 1 1 17 ASP CG C 7.209 -1.599 -4.449 1.00 . A A . 16 ASP CG 1 1 20 6615 1 1 17 ASP H H 5.624 -0.370 -0.688 1.00 . A A . 16 ASP H 1 1 20 6616 1 1 17 ASP HA H 7.811 -2.070 -1.770 1.00 . A A . 16 ASP HA 1 1 20 6617 1 1 17 ASP HB2 H 5.610 -1.907 -3.031 1.00 . A A . 16 ASP HB2 1 1 20 6618 1 1 17 ASP HB3 H 5.996 -0.222 -3.310 1.00 . A A . 16 ASP HB3 1 1 20 6619 1 1 17 ASP HD2 H 7.823 -3.202 -5.367 1.00 . A A . 16 ASP HD2 1 1 20 6620 1 1 17 ASP N N 6.479 -0.944 -0.691 1.00 . A A . 16 ASP N 1 1 20 6621 1 1 17 ASP O O 9.594 -0.404 -2.166 1.00 . A A . 16 ASP O 1 1 20 6622 1 1 17 ASP OD1 O 7.641 -0.781 -5.261 1.00 . A A . 16 ASP OD1 1 1 20 6623 1 1 17 ASP OD2 O 7.347 -2.958 -4.570 1.00 . A A . 16 ASP OD2 1 1 20 6624 1 1 18 LYS C C 10.064 2.061 -0.179 1.00 . A A . 17 LYS C 1 1 20 6625 1 1 18 LYS CA C 9.163 2.308 -1.462 1.00 . A A . 17 LYS CA 1 1 20 6626 1 1 18 LYS CB C 8.431 3.681 -1.461 1.00 . A A . 17 LYS CB 1 1 20 6627 1 1 18 LYS CD C 9.800 5.563 -0.195 1.00 . A A . 17 LYS CD 1 1 20 6628 1 1 18 LYS CE C 8.696 6.065 0.757 1.00 . A A . 17 LYS CE 1 1 20 6629 1 1 18 LYS CG C 9.295 4.966 -1.529 1.00 . A A . 17 LYS CG 1 1 20 6630 1 1 18 LYS H H 7.183 1.419 -1.237 1.00 . A A . 17 LYS H 1 1 20 6631 1 1 18 LYS HA H 9.786 2.252 -2.364 1.00 . A A . 17 LYS HA 1 1 20 6632 1 1 18 LYS HB2 H 7.772 3.711 -2.351 1.00 . A A . 17 LYS HB2 1 1 20 6633 1 1 18 LYS HB3 H 7.731 3.742 -0.607 1.00 . A A . 17 LYS HB3 1 1 20 6634 1 1 18 LYS HD2 H 10.443 4.836 0.331 1.00 . A A . 17 LYS HD2 1 1 20 6635 1 1 18 LYS HD3 H 10.473 6.407 -0.442 1.00 . A A . 17 LYS HD3 1 1 20 6636 1 1 18 LYS HE2 H 8.040 6.791 0.240 1.00 . A A . 17 LYS HE2 1 1 20 6637 1 1 18 LYS HE3 H 8.046 5.231 1.075 1.00 . A A . 17 LYS HE3 1 1 20 6638 1 1 18 LYS HG2 H 10.158 4.789 -2.198 1.00 . A A . 17 LYS HG2 1 1 20 6639 1 1 18 LYS HG3 H 8.708 5.750 -2.045 1.00 . A A . 17 LYS HG3 1 1 20 6640 1 1 18 LYS HZ1 H 8.511 7.055 2.559 1.00 . A A . 17 LYS HZ1 1 1 20 6641 1 1 18 LYS HZ3 H 9.817 7.523 1.693 1.00 . A A . 17 LYS HZ3 1 1 20 6642 1 1 18 LYS N N 8.137 1.240 -1.583 1.00 . A A . 17 LYS N 1 1 20 6643 1 1 18 LYS NZ N 9.264 6.700 1.958 1.00 . A A . 17 LYS NZ 1 1 20 6644 1 1 18 LYS O O 11.211 2.514 -0.143 1.00 . A A . 17 LYS O 1 1 20 6645 1 1 19 VAL C C 11.281 -0.182 1.817 1.00 . A A . 18 VAL C 1 1 20 6646 1 1 19 VAL CA C 10.250 0.945 2.090 1.00 . A A . 18 VAL CA 1 1 20 6647 1 1 19 VAL CB C 9.255 0.734 3.281 1.00 . A A . 18 VAL CB 1 1 20 6648 1 1 19 VAL CG1 C 9.805 -0.008 4.504 1.00 . A A . 18 VAL CG1 1 1 20 6649 1 1 19 VAL CG2 C 8.579 2.041 3.741 1.00 . A A . 18 VAL CG2 1 1 20 6650 1 1 19 VAL H H 8.799 0.721 0.460 1.00 . A A . 18 VAL H 1 1 20 6651 1 1 19 VAL HA H 10.847 1.801 2.328 1.00 . A A . 18 VAL HA 1 1 20 6652 1 1 19 VAL HB H 8.466 0.074 2.951 1.00 . A A . 18 VAL HB 1 1 20 6653 1 1 19 VAL HG11 H 10.652 0.528 4.960 1.00 . A A . 18 VAL HG11 1 1 20 6654 1 1 19 VAL HG12 H 9.013 -0.149 5.263 1.00 . A A . 18 VAL HG12 1 1 20 6655 1 1 19 VAL HG13 H 10.138 -1.023 4.217 1.00 . A A . 18 VAL HG13 1 1 20 6656 1 1 19 VAL HG21 H 8.037 2.525 2.908 1.00 . A A . 18 VAL HG21 1 1 20 6657 1 1 19 VAL HG22 H 9.308 2.767 4.138 1.00 . A A . 18 VAL HG22 1 1 20 6658 1 1 19 VAL HG23 H 7.829 1.849 4.531 1.00 . A A . 18 VAL HG23 1 1 20 6659 1 1 19 VAL N N 9.541 1.321 0.838 1.00 . A A . 18 VAL N 1 1 20 6660 1 1 19 VAL O O 12.453 -0.022 2.173 1.00 . A A . 18 VAL O 1 1 20 6661 1 1 20 LYS C C 12.870 -2.017 -0.201 1.00 . A A . 19 LYS C 1 1 20 6662 1 1 20 LYS CA C 11.750 -2.427 0.834 1.00 . A A . 19 LYS CA 1 1 20 6663 1 1 20 LYS CB C 10.840 -3.582 0.327 1.00 . A A . 19 LYS CB 1 1 20 6664 1 1 20 LYS CD C 11.937 -5.248 -1.348 1.00 . A A . 19 LYS CD 1 1 20 6665 1 1 20 LYS CE C 12.602 -6.627 -1.509 1.00 . A A . 19 LYS CE 1 1 20 6666 1 1 20 LYS CG C 11.505 -4.964 0.106 1.00 . A A . 19 LYS CG 1 1 20 6667 1 1 20 LYS H H 9.849 -1.322 1.002 1.00 . A A . 19 LYS H 1 1 20 6668 1 1 20 LYS HA H 12.235 -2.764 1.764 1.00 . A A . 19 LYS HA 1 1 20 6669 1 1 20 LYS HB2 H 10.041 -3.745 1.078 1.00 . A A . 19 LYS HB2 1 1 20 6670 1 1 20 LYS HB3 H 10.294 -3.270 -0.585 1.00 . A A . 19 LYS HB3 1 1 20 6671 1 1 20 LYS HD2 H 11.050 -5.182 -2.008 1.00 . A A . 19 LYS HD2 1 1 20 6672 1 1 20 LYS HD3 H 12.628 -4.461 -1.701 1.00 . A A . 19 LYS HD3 1 1 20 6673 1 1 20 LYS HE2 H 13.498 -6.700 -0.865 1.00 . A A . 19 LYS HE2 1 1 20 6674 1 1 20 LYS HE3 H 11.915 -7.428 -1.179 1.00 . A A . 19 LYS HE3 1 1 20 6675 1 1 20 LYS HG2 H 12.361 -5.087 0.797 1.00 . A A . 19 LYS HG2 1 1 20 6676 1 1 20 LYS HG3 H 10.784 -5.748 0.407 1.00 . A A . 19 LYS HG3 1 1 20 6677 1 1 20 LYS HZ1 H 13.405 -7.814 -2.994 1.00 . A A . 19 LYS HZ1 1 1 20 6678 1 1 20 LYS HZ3 H 12.165 -6.882 -3.510 1.00 . A A . 19 LYS HZ3 1 1 20 6679 1 1 20 LYS N N 10.851 -1.303 1.209 1.00 . A A . 19 LYS N 1 1 20 6680 1 1 20 LYS NZ N 12.995 -6.878 -2.907 1.00 . A A . 19 LYS NZ 1 1 20 6681 1 1 20 LYS O O 13.885 -2.712 -0.303 1.00 . A A . 19 LYS O 1 1 20 6682 1 1 21 GLU C C 14.753 0.489 -1.214 1.00 . A A . 20 GLU C 1 1 20 6683 1 1 21 GLU CA C 13.651 -0.346 -1.904 1.00 . A A . 20 GLU CA 1 1 20 6684 1 1 21 GLU CB C 12.848 0.352 -3.023 1.00 . A A . 20 GLU CB 1 1 20 6685 1 1 21 GLU CD C 14.589 1.823 -4.275 1.00 . A A . 20 GLU CD 1 1 20 6686 1 1 21 GLU CG C 13.599 0.653 -4.329 1.00 . A A . 20 GLU CG 1 1 20 6687 1 1 21 GLU H H 12.000 -0.244 -0.535 1.00 . A A . 20 GLU H 1 1 20 6688 1 1 21 GLU HA H 14.136 -1.178 -2.362 1.00 . A A . 20 GLU HA 1 1 20 6689 1 1 21 GLU HB2 H 11.986 -0.284 -3.309 1.00 . A A . 20 GLU HB2 1 1 20 6690 1 1 21 GLU HB3 H 12.407 1.263 -2.610 1.00 . A A . 20 GLU HB3 1 1 20 6691 1 1 21 GLU HE2 H 16.510 2.136 -4.235 1.00 . A A . 20 GLU HE2 1 1 20 6692 1 1 21 GLU HG2 H 14.098 -0.272 -4.670 1.00 . A A . 20 GLU HG2 1 1 20 6693 1 1 21 GLU HG3 H 12.840 0.884 -5.096 1.00 . A A . 20 GLU HG3 1 1 20 6694 1 1 21 GLU N N 12.688 -0.890 -0.933 1.00 . A A . 20 GLU N 1 1 20 6695 1 1 21 GLU O O 15.932 0.134 -1.231 1.00 . A A . 20 GLU O 1 1 20 6696 1 1 21 GLU OE1 O 14.242 3.003 -4.240 1.00 . A A . 20 GLU OE1 1 1 20 6697 1 1 21 GLU OE2 O 15.894 1.401 -4.270 1.00 . A A . 20 GLU OE2 1 1 20 6698 1 1 22 NH2 HN1 H 13.593 2.019 -0.962 1.00 . A A . 21 NH2 HN1 1 1 20 6699 1 1 22 NH2 HN2 H 14.287 1.191 0.439 1.00 . A A . 21 NH2 HN2 1 1 20 6700 1 1 22 NH2 N N 14.386 1.545 -0.515 1.00 . A A . 21 NH2 N 1 1 21 6701 1 1 2 GLU C C -13.198 -2.832 -1.836 1.00 . A A . 1 ACE C 1 1 21 6702 1 1 2 GLU CA C -14.167 -0.634 -1.184 1.00 . A A . 1 ACE CA 1 1 21 6703 1 1 2 GLU CB C -15.458 -0.321 -0.349 1.00 . A A . 1 ACE CB 1 1 21 6704 1 1 2 GLU CD C -17.066 -2.370 -0.529 1.00 . A A . 1 ACE CD 1 1 21 6705 1 1 2 GLU CG C -16.808 -0.891 -0.841 1.00 . A A . 1 ACE CG 1 1 21 6706 1 1 2 GLU H H -14.584 -2.630 -0.459 1.00 . A A . 1 ACE H 1 1 21 6707 1 1 2 GLU HA H -14.457 -0.466 -2.237 1.00 . A A . 1 ACE HA 1 1 21 6708 1 1 2 GLU HB2 H -15.291 -0.547 0.722 1.00 . A A . 1 ACE HB2 1 1 21 6709 1 1 2 GLU HB3 H -15.620 0.767 -0.360 1.00 . A A . 1 ACE HB3 1 1 21 6710 1 1 2 GLU HE2 H -17.100 -4.091 -1.437 1.00 . A A . 1 ACE HE2 1 1 21 6711 1 1 2 GLU HG2 H -17.615 -0.302 -0.369 1.00 . A A . 1 ACE HG2 1 1 21 6712 1 1 2 GLU HG3 H -16.911 -0.693 -1.925 1.00 . A A . 1 ACE HG3 1 1 21 6713 1 1 2 GLU N N -13.884 -2.078 -0.966 1.00 . A A . 1 ACE N 1 1 21 6714 1 1 2 GLU O O -12.554 -2.383 -2.784 1.00 . A A . 1 ACE O 1 1 21 6715 1 1 2 GLU OE1 O -17.354 -2.784 0.594 1.00 . A A . 1 ACE OE1 1 1 21 6716 1 1 2 GLU OE2 O -16.938 -3.166 -1.638 1.00 . A A . 1 ACE OE2 1 1 21 6717 1 1 3 SER C C -11.129 2.090 0.911 1.00 . A A . 2 SER C 1 1 21 6718 1 1 3 SER CA C -12.171 2.566 -0.120 1.00 . A A . 2 SER CA 1 1 21 6719 1 1 3 SER CB C -12.887 3.835 0.356 1.00 . A A . 2 SER CB 1 1 21 6720 1 1 3 SER H H -14.199 1.765 -0.498 1.00 . A A . 2 SER H 1 1 21 6721 1 1 3 SER HA H -11.654 2.859 -1.033 1.00 . A A . 2 SER HA 1 1 21 6722 1 1 3 SER HB2 H -13.778 4.046 -0.252 1.00 . A A . 2 SER HB2 1 1 21 6723 1 1 3 SER HB3 H -13.264 3.664 1.366 1.00 . A A . 2 SER HB3 1 1 21 6724 1 1 3 SER HG H -12.536 5.700 0.674 1.00 . A A . 2 SER HG 1 1 21 6725 1 1 3 SER N N -13.199 1.549 -0.488 1.00 . A A . 2 SER N 1 1 21 6726 1 1 3 SER O O -9.936 2.340 0.739 1.00 . A A . 2 SER O 1 1 21 6727 1 1 3 SER OG O -12.017 4.961 0.348 1.00 . A A . 2 SER OG 1 1 21 6728 1 1 4 ALA C C -9.997 -0.517 2.720 1.00 . A A . 3 ALA C 1 1 21 6729 1 1 4 ALA CA C -10.725 0.840 3.023 1.00 . A A . 3 ALA CA 1 1 21 6730 1 1 4 ALA CB C -11.515 0.775 4.327 1.00 . A A . 3 ALA CB 1 1 21 6731 1 1 4 ALA H H -12.635 1.408 1.965 1.00 . A A . 3 ALA H 1 1 21 6732 1 1 4 ALA HA H -9.886 1.544 3.094 1.00 . A A . 3 ALA HA 1 1 21 6733 1 1 4 ALA HB1 H -11.946 1.759 4.584 1.00 . A A . 3 ALA HB1 1 1 21 6734 1 1 4 ALA HB2 H -12.341 0.044 4.243 1.00 . A A . 3 ALA HB2 1 1 21 6735 1 1 4 ALA HB3 H -10.865 0.461 5.161 1.00 . A A . 3 ALA HB3 1 1 21 6736 1 1 4 ALA N N -11.611 1.421 1.973 1.00 . A A . 3 ALA N 1 1 21 6737 1 1 4 ALA O O -9.452 -1.205 3.587 1.00 . A A . 3 ALA O 1 1 21 6738 1 1 5 LYS C C -8.911 -1.608 -0.717 1.00 . A A . 4 LYS C 1 1 21 6739 1 1 5 LYS CA C -9.398 -1.981 0.746 1.00 . A A . 4 LYS CA 1 1 21 6740 1 1 5 LYS CB C -10.335 -3.209 0.823 1.00 . A A . 4 LYS CB 1 1 21 6741 1 1 5 LYS CD C -8.560 -5.032 1.510 1.00 . A A . 4 LYS CD 1 1 21 6742 1 1 5 LYS CE C -8.953 -5.165 2.995 1.00 . A A . 4 LYS CE 1 1 21 6743 1 1 5 LYS CG C -9.710 -4.602 0.572 1.00 . A A . 4 LYS CG 1 1 21 6744 1 1 5 LYS H H -10.597 -0.149 0.947 1.00 . A A . 4 LYS H 1 1 21 6745 1 1 5 LYS HA H -8.462 -2.120 1.309 1.00 . A A . 4 LYS HA 1 1 21 6746 1 1 5 LYS HB2 H -10.832 -3.230 1.809 1.00 . A A . 4 LYS HB2 1 1 21 6747 1 1 5 LYS HB3 H -11.153 -3.039 0.100 1.00 . A A . 4 LYS HB3 1 1 21 6748 1 1 5 LYS HD2 H -8.172 -6.003 1.148 1.00 . A A . 4 LYS HD2 1 1 21 6749 1 1 5 LYS HD3 H -7.713 -4.327 1.403 1.00 . A A . 4 LYS HD3 1 1 21 6750 1 1 5 LYS HE2 H -9.304 -4.195 3.394 1.00 . A A . 4 LYS HE2 1 1 21 6751 1 1 5 LYS HE3 H -9.796 -5.871 3.109 1.00 . A A . 4 LYS HE3 1 1 21 6752 1 1 5 LYS HG2 H -10.514 -5.360 0.623 1.00 . A A . 4 LYS HG2 1 1 21 6753 1 1 5 LYS HG3 H -9.350 -4.657 -0.471 1.00 . A A . 4 LYS HG3 1 1 21 6754 1 1 5 LYS HZ1 H -8.097 -5.682 4.801 1.00 . A A . 4 LYS HZ1 1 1 21 6755 1 1 5 LYS HZ3 H -7.054 -4.952 3.775 1.00 . A A . 4 LYS HZ3 1 1 21 6756 1 1 5 LYS N N -10.022 -0.833 1.434 1.00 . A A . 4 LYS N 1 1 21 6757 1 1 5 LYS NZ N -7.821 -5.633 3.814 1.00 . A A . 4 LYS NZ 1 1 21 6758 1 1 5 LYS O O -8.739 -2.453 -1.598 1.00 . A A . 4 LYS O 1 1 21 6759 1 1 6 HIS C C -7.066 1.324 -1.607 1.00 . A A . 5 HIS C 1 1 21 6760 1 1 6 HIS CA C -8.194 0.385 -2.126 1.00 . A A . 5 HIS CA 1 1 21 6761 1 1 6 HIS CB C -9.255 1.127 -2.975 1.00 . A A . 5 HIS CB 1 1 21 6762 1 1 6 HIS CD2 C -9.787 -0.937 -4.493 1.00 . A A . 5 HIS CD2 1 1 21 6763 1 1 6 HIS CE1 C -11.744 -0.409 -5.057 1.00 . A A . 5 HIS CE1 1 1 21 6764 1 1 6 HIS CG C -10.163 0.248 -3.833 1.00 . A A . 5 HIS CG 1 1 21 6765 1 1 6 HIS H H -9.297 0.204 -0.249 1.00 . A A . 5 HIS H 1 1 21 6766 1 1 6 HIS HA H -7.656 -0.369 -2.708 1.00 . A A . 5 HIS HA 1 1 21 6767 1 1 6 HIS HB2 H -9.865 1.779 -2.321 1.00 . A A . 5 HIS HB2 1 1 21 6768 1 1 6 HIS HB3 H -8.743 1.825 -3.665 1.00 . A A . 5 HIS HB3 1 1 21 6769 1 1 6 HIS HD2 H -8.818 -1.410 -4.426 1.00 . A A . 5 HIS HD2 1 1 21 6770 1 1 6 HIS HE1 H -12.706 -0.448 -5.546 1.00 . A A . 5 HIS HE1 1 1 21 6771 1 1 6 HIS HE2 H -10.861 -2.201 -5.918 1.00 . A A . 5 HIS HE2 1 1 21 6772 1 1 6 HIS N N -8.703 -0.299 -0.919 1.00 . A A . 5 HIS N 1 1 21 6773 1 1 6 HIS ND1 N -11.453 0.624 -4.201 1.00 . A A . 5 HIS ND1 1 1 21 6774 1 1 6 HIS NE2 N -10.817 -1.387 -5.295 1.00 . A A . 5 HIS NE2 1 1 21 6775 1 1 6 HIS O O -5.980 1.324 -2.190 1.00 . A A . 5 HIS O 1 1 21 6776 1 1 7 MET C C -5.394 2.079 0.879 1.00 . A A . 6 MET C 1 1 21 6777 1 1 7 MET CA C -6.311 3.030 0.077 1.00 . A A . 6 MET CA 1 1 21 6778 1 1 7 MET CB C -6.923 4.176 0.926 1.00 . A A . 6 MET CB 1 1 21 6779 1 1 7 MET CE C -6.799 7.304 -0.591 1.00 . A A . 6 MET CE 1 1 21 6780 1 1 7 MET CG C -8.069 4.951 0.251 1.00 . A A . 6 MET CG 1 1 21 6781 1 1 7 MET H H -8.177 1.979 -0.043 1.00 . A A . 6 MET H 1 1 21 6782 1 1 7 MET HA H -5.679 3.430 -0.719 1.00 . A A . 6 MET HA 1 1 21 6783 1 1 7 MET HB2 H -7.293 3.789 1.896 1.00 . A A . 6 MET HB2 1 1 21 6784 1 1 7 MET HB3 H -6.114 4.879 1.194 1.00 . A A . 6 MET HB3 1 1 21 6785 1 1 7 MET HE1 H -7.161 7.107 -1.616 1.00 . A A . 6 MET HE1 1 1 21 6786 1 1 7 MET HE2 H -5.822 6.803 -0.467 1.00 . A A . 6 MET HE2 1 1 21 6787 1 1 7 MET HE3 H -6.640 8.393 -0.488 1.00 . A A . 6 MET HE3 1 1 21 6788 1 1 7 MET HG2 H -8.068 4.776 -0.840 1.00 . A A . 6 MET HG2 1 1 21 6789 1 1 7 MET HG3 H -9.042 4.560 0.602 1.00 . A A . 6 MET HG3 1 1 21 6790 1 1 7 MET N N -7.315 2.149 -0.555 1.00 . A A . 6 MET N 1 1 21 6791 1 1 7 MET O O -4.192 2.139 0.662 1.00 . A A . 6 MET O 1 1 21 6792 1 1 7 MET SD S -7.988 6.720 0.636 1.00 . A A . 6 MET SD 1 1 21 6793 1 1 8 PHE C C -4.419 -0.808 1.576 1.00 . A A . 7 PHE C 1 1 21 6794 1 1 8 PHE CA C -5.151 0.197 2.517 1.00 . A A . 7 PHE CA 1 1 21 6795 1 1 8 PHE CB C -6.104 -0.531 3.490 1.00 . A A . 7 PHE CB 1 1 21 6796 1 1 8 PHE CD1 C -5.439 -0.102 5.902 1.00 . A A . 7 PHE CD1 1 1 21 6797 1 1 8 PHE CD2 C -7.315 1.120 4.992 1.00 . A A . 7 PHE CD2 1 1 21 6798 1 1 8 PHE CE1 C -5.596 0.565 7.112 1.00 . A A . 7 PHE CE1 1 1 21 6799 1 1 8 PHE CE2 C -7.471 1.784 6.202 1.00 . A A . 7 PHE CE2 1 1 21 6800 1 1 8 PHE CG C -6.298 0.173 4.834 1.00 . A A . 7 PHE CG 1 1 21 6801 1 1 8 PHE CZ C -6.612 1.508 7.265 1.00 . A A . 7 PHE CZ 1 1 21 6802 1 1 8 PHE H H -6.948 1.116 1.707 1.00 . A A . 7 PHE H 1 1 21 6803 1 1 8 PHE HA H -4.380 0.742 3.066 1.00 . A A . 7 PHE HA 1 1 21 6804 1 1 8 PHE HB2 H -7.072 -0.627 2.989 1.00 . A A . 7 PHE HB2 1 1 21 6805 1 1 8 PHE HB3 H -5.808 -1.585 3.647 1.00 . A A . 7 PHE HB3 1 1 21 6806 1 1 8 PHE HD1 H -4.642 -0.824 5.795 1.00 . A A . 7 PHE HD1 1 1 21 6807 1 1 8 PHE HD2 H -7.978 1.355 4.173 1.00 . A A . 7 PHE HD2 1 1 21 6808 1 1 8 PHE HE1 H -4.916 0.346 7.918 1.00 . A A . 7 PHE HE1 1 1 21 6809 1 1 8 PHE HE2 H -8.257 2.517 6.293 1.00 . A A . 7 PHE HE2 1 1 21 6810 1 1 8 PHE HZ H -6.730 2.028 8.205 1.00 . A A . 7 PHE HZ 1 1 21 6811 1 1 8 PHE N N -5.933 1.200 1.756 1.00 . A A . 7 PHE N 1 1 21 6812 1 1 8 PHE O O -3.324 -1.255 1.922 1.00 . A A . 7 PHE O 1 1 21 6813 1 1 9 ASP C C -3.118 -1.359 -1.181 1.00 . A A . 8 ASP C 1 1 21 6814 1 1 9 ASP CA C -4.382 -2.065 -0.594 1.00 . A A . 8 ASP CA 1 1 21 6815 1 1 9 ASP CB C -5.406 -2.401 -1.703 1.00 . A A . 8 ASP CB 1 1 21 6816 1 1 9 ASP CG C -5.013 -3.563 -2.625 1.00 . A A . 8 ASP CG 1 1 21 6817 1 1 9 ASP H H -6.019 -0.901 0.407 1.00 . A A . 8 ASP H 1 1 21 6818 1 1 9 ASP HA H -4.132 -3.025 -0.101 1.00 . A A . 8 ASP HA 1 1 21 6819 1 1 9 ASP HB2 H -6.353 -2.664 -1.219 1.00 . A A . 8 ASP HB2 1 1 21 6820 1 1 9 ASP HB3 H -5.644 -1.507 -2.309 1.00 . A A . 8 ASP HB3 1 1 21 6821 1 1 9 ASP HD2 H -4.105 -3.863 -4.321 1.00 . A A . 8 ASP HD2 1 1 21 6822 1 1 9 ASP N N -5.021 -1.163 0.412 1.00 . A A . 8 ASP N 1 1 21 6823 1 1 9 ASP O O -2.043 -1.963 -1.222 1.00 . A A . 8 ASP O 1 1 21 6824 1 1 9 ASP OD1 O -5.267 -4.741 -2.377 1.00 . A A . 8 ASP OD1 1 1 21 6825 1 1 9 ASP OD2 O -4.350 -3.133 -3.747 1.00 . A A . 8 ASP OD2 1 1 21 6826 1 1 10 ARG C C -1.123 1.008 -1.039 1.00 . A A . 9 ARG C 1 1 21 6827 1 1 10 ARG CA C -2.178 0.765 -2.137 1.00 . A A . 9 ARG CA 1 1 21 6828 1 1 10 ARG CB C -2.688 2.096 -2.733 1.00 . A A . 9 ARG CB 1 1 21 6829 1 1 10 ARG CD C -4.055 3.272 -4.567 1.00 . A A . 9 ARG CD 1 1 21 6830 1 1 10 ARG CG C -3.408 1.956 -4.093 1.00 . A A . 9 ARG CG 1 1 21 6831 1 1 10 ARG CZ C -5.398 4.059 -6.531 1.00 . A A . 9 ARG CZ 1 1 21 6832 1 1 10 ARG H H -4.252 0.257 -1.524 1.00 . A A . 9 ARG H 1 1 21 6833 1 1 10 ARG HA H -1.675 0.174 -2.903 1.00 . A A . 9 ARG HA 1 1 21 6834 1 1 10 ARG HB2 H -3.346 2.601 -1.999 1.00 . A A . 9 ARG HB2 1 1 21 6835 1 1 10 ARG HB3 H -1.829 2.781 -2.867 1.00 . A A . 9 ARG HB3 1 1 21 6836 1 1 10 ARG HD2 H -4.784 3.625 -3.813 1.00 . A A . 9 ARG HD2 1 1 21 6837 1 1 10 ARG HD3 H -3.284 4.061 -4.654 1.00 . A A . 9 ARG HD3 1 1 21 6838 1 1 10 ARG HG2 H -2.684 1.595 -4.849 1.00 . A A . 9 ARG HG2 1 1 21 6839 1 1 10 ARG HG3 H -4.182 1.169 -4.026 1.00 . A A . 9 ARG HG3 1 1 21 6840 1 1 10 ARG HH11 H -5.081 5.523 -5.186 1.00 . A A . 9 ARG HH11 1 1 21 6841 1 1 10 ARG HH12 H -6.054 5.957 -6.680 1.00 . A A . 9 ARG HH12 1 1 21 6842 1 1 10 ARG HH21 H -5.847 2.786 -8.009 1.00 . A A . 9 ARG HH21 1 1 21 6843 1 1 10 ARG HH22 H -6.457 4.509 -8.170 1.00 . A A . 9 ARG HH22 1 1 21 6844 1 1 10 ARG N N -3.280 -0.079 -1.610 1.00 . A A . 9 ARG N 1 1 21 6845 1 1 10 ARG NE N -4.735 3.089 -5.872 1.00 . A A . 9 ARG NE 1 1 21 6846 1 1 10 ARG NH1 N -5.524 5.309 -6.086 1.00 . A A . 9 ARG NH1 1 1 21 6847 1 1 10 ARG NH2 N -5.958 3.754 -7.687 1.00 . A A . 9 ARG NH2 1 1 21 6848 1 1 10 ARG O O 0.028 0.620 -1.228 1.00 . A A . 9 ARG O 1 1 21 6849 1 1 11 ILE C C 0.231 0.577 1.680 1.00 . A A . 10 ILE C 1 1 21 6850 1 1 11 ILE CA C -0.626 1.831 1.295 1.00 . A A . 10 ILE CA 1 1 21 6851 1 1 11 ILE CB C -1.560 2.391 2.412 1.00 . A A . 10 ILE CB 1 1 21 6852 1 1 11 ILE CD1 C -3.227 4.339 2.835 1.00 . A A . 10 ILE CD1 1 1 21 6853 1 1 11 ILE CG1 C -1.993 3.846 2.085 1.00 . A A . 10 ILE CG1 1 1 21 6854 1 1 11 ILE CG2 C -1.056 2.264 3.860 1.00 . A A . 10 ILE CG2 1 1 21 6855 1 1 11 ILE H H -2.518 1.843 0.193 1.00 . A A . 10 ILE H 1 1 21 6856 1 1 11 ILE HA H 0.072 2.622 1.008 1.00 . A A . 10 ILE HA 1 1 21 6857 1 1 11 ILE HB H -2.449 1.757 2.393 1.00 . A A . 10 ILE HB 1 1 21 6858 1 1 11 ILE HD11 H -3.007 4.507 3.900 1.00 . A A . 10 ILE HD11 1 1 21 6859 1 1 11 ILE HD12 H -4.045 3.599 2.771 1.00 . A A . 10 ILE HD12 1 1 21 6860 1 1 11 ILE HD13 H -3.593 5.278 2.387 1.00 . A A . 10 ILE HD13 1 1 21 6861 1 1 11 ILE HG12 H -1.140 4.529 2.218 1.00 . A A . 10 ILE HG12 1 1 21 6862 1 1 11 ILE HG13 H -2.249 3.920 1.014 1.00 . A A . 10 ILE HG13 1 1 21 6863 1 1 11 ILE HG21 H -0.877 1.203 4.113 1.00 . A A . 10 ILE HG21 1 1 21 6864 1 1 11 ILE HG22 H -1.820 2.618 4.575 1.00 . A A . 10 ILE HG22 1 1 21 6865 1 1 11 ILE HG23 H -0.125 2.830 4.016 1.00 . A A . 10 ILE HG23 1 1 21 6866 1 1 11 ILE N N -1.516 1.588 0.111 1.00 . A A . 10 ILE N 1 1 21 6867 1 1 11 ILE O O 1.429 0.699 1.952 1.00 . A A . 10 ILE O 1 1 21 6868 1 1 12 GLY C C 1.371 -2.336 0.995 1.00 . A A . 11 GLY C 1 1 21 6869 1 1 12 GLY CA C 0.220 -1.906 1.944 1.00 . A A . 11 GLY CA 1 1 21 6870 1 1 12 GLY H H -1.428 -0.486 1.514 1.00 . A A . 11 GLY H 1 1 21 6871 1 1 12 GLY HA2 H 0.602 -1.869 2.976 1.00 . A A . 11 GLY HA2 1 1 21 6872 1 1 12 GLY HA3 H -0.559 -2.679 1.876 1.00 . A A . 11 GLY HA3 1 1 21 6873 1 1 12 GLY N N -0.422 -0.601 1.676 1.00 . A A . 11 GLY N 1 1 21 6874 1 1 12 GLY O O 2.133 -3.237 1.344 1.00 . A A . 11 GLY O 1 1 21 6875 1 1 13 LYS C C 2.845 -0.660 -2.012 1.00 . A A . 12 LYS C 1 1 21 6876 1 1 13 LYS CA C 2.462 -1.975 -1.243 1.00 . A A . 12 LYS CA 1 1 21 6877 1 1 13 LYS CB C 2.183 -3.217 -2.137 1.00 . A A . 12 LYS CB 1 1 21 6878 1 1 13 LYS CD C 0.677 -4.407 -3.905 1.00 . A A . 12 LYS CD 1 1 21 6879 1 1 13 LYS CE C 1.681 -4.666 -5.049 1.00 . A A . 12 LYS CE 1 1 21 6880 1 1 13 LYS CG C 0.918 -3.154 -3.031 1.00 . A A . 12 LYS CG 1 1 21 6881 1 1 13 LYS H H 0.558 -1.227 -0.415 1.00 . A A . 12 LYS H 1 1 21 6882 1 1 13 LYS HA H 3.394 -2.141 -0.679 1.00 . A A . 12 LYS HA 1 1 21 6883 1 1 13 LYS HB2 H 3.071 -3.390 -2.773 1.00 . A A . 12 LYS HB2 1 1 21 6884 1 1 13 LYS HB3 H 2.124 -4.116 -1.494 1.00 . A A . 12 LYS HB3 1 1 21 6885 1 1 13 LYS HD2 H 0.653 -5.297 -3.249 1.00 . A A . 12 LYS HD2 1 1 21 6886 1 1 13 LYS HD3 H -0.343 -4.351 -4.329 1.00 . A A . 12 LYS HD3 1 1 21 6887 1 1 13 LYS HE2 H 2.712 -4.736 -4.658 1.00 . A A . 12 LYS HE2 1 1 21 6888 1 1 13 LYS HE3 H 1.470 -5.653 -5.499 1.00 . A A . 12 LYS HE3 1 1 21 6889 1 1 13 LYS HG2 H 0.034 -3.016 -2.384 1.00 . A A . 12 LYS HG2 1 1 21 6890 1 1 13 LYS HG3 H 0.947 -2.254 -3.673 1.00 . A A . 12 LYS HG3 1 1 21 6891 1 1 13 LYS HZ1 H 1.826 -2.719 -5.727 1.00 . A A . 12 LYS HZ1 1 1 21 6892 1 1 13 LYS HZ3 H 0.679 -3.589 -6.501 1.00 . A A . 12 LYS HZ3 1 1 21 6893 1 1 13 LYS N N 1.411 -1.759 -0.218 1.00 . A A . 12 LYS N 1 1 21 6894 1 1 13 LYS NZ N 1.629 -3.648 -6.116 1.00 . A A . 12 LYS NZ 1 1 21 6895 1 1 13 LYS O O 3.105 -0.663 -3.219 1.00 . A A . 12 LYS O 1 1 21 6896 1 1 14 ASP C C 4.376 2.216 -0.717 1.00 . A A . 13 ASP C 1 1 21 6897 1 1 14 ASP CA C 3.329 1.802 -1.734 1.00 . A A . 13 ASP CA 1 1 21 6898 1 1 14 ASP CB C 2.160 2.772 -1.907 1.00 . A A . 13 ASP CB 1 1 21 6899 1 1 14 ASP CG C 2.457 4.006 -2.764 1.00 . A A . 13 ASP CG 1 1 21 6900 1 1 14 ASP H H 2.519 0.392 -0.321 1.00 . A A . 13 ASP H 1 1 21 6901 1 1 14 ASP HA H 3.898 1.703 -2.644 1.00 . A A . 13 ASP HA 1 1 21 6902 1 1 14 ASP HB2 H 1.305 2.220 -2.301 1.00 . A A . 13 ASP HB2 1 1 21 6903 1 1 14 ASP HB3 H 1.841 3.082 -0.913 1.00 . A A . 13 ASP HB3 1 1 21 6904 1 1 14 ASP HD2 H 2.414 4.554 -4.632 1.00 . A A . 13 ASP HD2 1 1 21 6905 1 1 14 ASP N N 2.933 0.457 -1.260 1.00 . A A . 13 ASP N 1 1 21 6906 1 1 14 ASP O O 5.512 2.439 -1.132 1.00 . A A . 13 ASP O 1 1 21 6907 1 1 14 ASP OD1 O 2.861 5.072 -2.300 1.00 . A A . 13 ASP OD1 1 1 21 6908 1 1 14 ASP OD2 O 2.226 3.779 -4.097 1.00 . A A . 13 ASP OD2 1 1 21 6909 1 1 15 VAL C C 5.315 1.470 2.498 1.00 . A A . 14 VAL C 1 1 21 6910 1 1 15 VAL CA C 5.009 2.733 1.612 1.00 . A A . 14 VAL CA 1 1 21 6911 1 1 15 VAL CB C 4.758 4.056 2.346 1.00 . A A . 14 VAL CB 1 1 21 6912 1 1 15 VAL CG1 C 4.751 5.214 1.336 1.00 . A A . 14 VAL CG1 1 1 21 6913 1 1 15 VAL CG2 C 3.483 4.030 3.207 1.00 . A A . 14 VAL CG2 1 1 21 6914 1 1 15 VAL H H 3.080 2.043 0.794 1.00 . A A . 14 VAL H 1 1 21 6915 1 1 15 VAL HA H 5.970 2.858 1.090 1.00 . A A . 14 VAL HA 1 1 21 6916 1 1 15 VAL HB H 5.645 4.193 2.986 1.00 . A A . 14 VAL HB 1 1 21 6917 1 1 15 VAL HG11 H 5.663 5.178 0.709 1.00 . A A . 14 VAL HG11 1 1 21 6918 1 1 15 VAL HG12 H 3.888 5.129 0.647 1.00 . A A . 14 VAL HG12 1 1 21 6919 1 1 15 VAL HG13 H 4.707 6.188 1.841 1.00 . A A . 14 VAL HG13 1 1 21 6920 1 1 15 VAL HG21 H 3.347 4.977 3.754 1.00 . A A . 14 VAL HG21 1 1 21 6921 1 1 15 VAL HG22 H 3.523 3.214 3.951 1.00 . A A . 14 VAL HG22 1 1 21 6922 1 1 15 VAL HG23 H 2.586 3.852 2.584 1.00 . A A . 14 VAL HG23 1 1 21 6923 1 1 15 VAL N N 3.998 2.416 0.563 1.00 . A A . 14 VAL N 1 1 21 6924 1 1 15 VAL O O 5.396 1.432 3.728 1.00 . A A . 14 VAL O 1 1 21 6925 1 1 16 TYR C C 6.881 -1.250 0.760 1.00 . A A . 15 TYR C 1 1 21 6926 1 1 16 TYR CA C 5.937 -0.919 1.946 1.00 . A A . 15 TYR CA 1 1 21 6927 1 1 16 TYR CB C 4.749 -1.864 2.164 1.00 . A A . 15 TYR CB 1 1 21 6928 1 1 16 TYR CD1 C 5.603 -3.667 3.726 1.00 . A A . 15 TYR CD1 1 1 21 6929 1 1 16 TYR CD2 C 5.167 -4.268 1.426 1.00 . A A . 15 TYR CD2 1 1 21 6930 1 1 16 TYR CE1 C 5.997 -4.974 3.994 1.00 . A A . 15 TYR CE1 1 1 21 6931 1 1 16 TYR CE2 C 5.558 -5.576 1.697 1.00 . A A . 15 TYR CE2 1 1 21 6932 1 1 16 TYR CG C 5.165 -3.312 2.448 1.00 . A A . 15 TYR CG 1 1 21 6933 1 1 16 TYR CZ C 5.960 -5.934 2.984 1.00 . A A . 15 TYR CZ 1 1 21 6934 1 1 16 TYR H H 5.133 0.767 0.761 1.00 . A A . 15 TYR H 1 1 21 6935 1 1 16 TYR HA H 6.566 -0.906 2.832 1.00 . A A . 15 TYR HA 1 1 21 6936 1 1 16 TYR HB2 H 4.119 -1.489 2.994 1.00 . A A . 15 TYR HB2 1 1 21 6937 1 1 16 TYR HB3 H 4.102 -1.804 1.279 1.00 . A A . 15 TYR HB3 1 1 21 6938 1 1 16 TYR HD1 H 5.675 -2.917 4.499 1.00 . A A . 15 TYR HD1 1 1 21 6939 1 1 16 TYR HD2 H 4.901 -3.994 0.412 1.00 . A A . 15 TYR HD2 1 1 21 6940 1 1 16 TYR HE1 H 6.353 -5.217 4.984 1.00 . A A . 15 TYR HE1 1 1 21 6941 1 1 16 TYR HE2 H 5.575 -6.294 0.893 1.00 . A A . 15 TYR HE2 1 1 21 6942 1 1 16 TYR HH H 6.625 -7.285 4.166 1.00 . A A . 15 TYR HH 1 1 21 6943 1 1 16 TYR N N 5.550 0.466 1.673 1.00 . A A . 15 TYR N 1 1 21 6944 1 1 16 TYR O O 7.943 -1.828 1.002 1.00 . A A . 15 TYR O 1 1 21 6945 1 1 16 TYR OH O 6.367 -7.219 3.243 1.00 . A A . 15 TYR OH 1 1 21 6946 1 1 17 ASP C C 8.446 -0.058 -1.716 1.00 . A A . 16 ASP C 1 1 21 6947 1 1 17 ASP CA C 7.378 -1.192 -1.666 1.00 . A A . 16 ASP CA 1 1 21 6948 1 1 17 ASP CB C 6.582 -1.449 -2.951 1.00 . A A . 16 ASP CB 1 1 21 6949 1 1 17 ASP CG C 7.403 -2.005 -4.121 1.00 . A A . 16 ASP CG 1 1 21 6950 1 1 17 ASP H H 5.650 -0.371 -0.560 1.00 . A A . 16 ASP H 1 1 21 6951 1 1 17 ASP HA H 7.954 -2.070 -1.409 1.00 . A A . 16 ASP HA 1 1 21 6952 1 1 17 ASP HB2 H 5.743 -2.143 -2.754 1.00 . A A . 16 ASP HB2 1 1 21 6953 1 1 17 ASP HB3 H 6.120 -0.501 -3.229 1.00 . A A . 16 ASP HB3 1 1 21 6954 1 1 17 ASP HD2 H 7.634 -0.140 -4.628 1.00 . A A . 16 ASP HD2 1 1 21 6955 1 1 17 ASP N N 6.487 -0.970 -0.512 1.00 . A A . 16 ASP N 1 1 21 6956 1 1 17 ASP O O 9.591 -0.366 -2.051 1.00 . A A . 16 ASP O 1 1 21 6957 1 1 17 ASP OD1 O 7.598 -3.207 -4.300 1.00 . A A . 16 ASP OD1 1 1 21 6958 1 1 17 ASP OD2 O 7.892 -1.013 -4.933 1.00 . A A . 16 ASP OD2 1 1 21 6959 1 1 18 LYS C C 10.106 2.120 -0.158 1.00 . A A . 17 LYS C 1 1 21 6960 1 1 18 LYS CA C 9.099 2.320 -1.355 1.00 . A A . 17 LYS CA 1 1 21 6961 1 1 18 LYS CB C 8.356 3.682 -1.297 1.00 . A A . 17 LYS CB 1 1 21 6962 1 1 18 LYS CD C 8.487 6.281 -1.356 1.00 . A A . 17 LYS CD 1 1 21 6963 1 1 18 LYS CE C 7.481 6.587 -2.485 1.00 . A A . 17 LYS CE 1 1 21 6964 1 1 18 LYS CG C 9.236 4.938 -1.499 1.00 . A A . 17 LYS CG 1 1 21 6965 1 1 18 LYS H H 7.145 1.388 -1.069 1.00 . A A . 17 LYS H 1 1 21 6966 1 1 18 LYS HA H 9.655 2.270 -2.299 1.00 . A A . 17 LYS HA 1 1 21 6967 1 1 18 LYS HB2 H 7.575 3.698 -2.080 1.00 . A A . 17 LYS HB2 1 1 21 6968 1 1 18 LYS HB3 H 7.811 3.768 -0.336 1.00 . A A . 17 LYS HB3 1 1 21 6969 1 1 18 LYS HD2 H 7.979 6.314 -0.373 1.00 . A A . 17 LYS HD2 1 1 21 6970 1 1 18 LYS HD3 H 9.243 7.088 -1.320 1.00 . A A . 17 LYS HD3 1 1 21 6971 1 1 18 LYS HE2 H 7.986 6.564 -3.468 1.00 . A A . 17 LYS HE2 1 1 21 6972 1 1 18 LYS HE3 H 6.690 5.816 -2.523 1.00 . A A . 17 LYS HE3 1 1 21 6973 1 1 18 LYS HG2 H 10.053 4.932 -0.754 1.00 . A A . 17 LYS HG2 1 1 21 6974 1 1 18 LYS HG3 H 9.740 4.892 -2.483 1.00 . A A . 17 LYS HG3 1 1 21 6975 1 1 18 LYS HZ1 H 6.317 7.920 -1.422 1.00 . A A . 17 LYS HZ1 1 1 21 6976 1 1 18 LYS HZ3 H 6.162 8.073 -3.043 1.00 . A A . 17 LYS HZ3 1 1 21 6977 1 1 18 LYS N N 8.108 1.220 -1.397 1.00 . A A . 17 LYS N 1 1 21 6978 1 1 18 LYS NZ N 6.849 7.905 -2.300 1.00 . A A . 17 LYS NZ 1 1 21 6979 1 1 18 LYS O O 11.237 2.606 -0.256 1.00 . A A . 17 LYS O 1 1 21 6980 1 1 19 VAL C C 11.563 -0.042 1.791 1.00 . A A . 18 VAL C 1 1 21 6981 1 1 19 VAL CA C 10.591 1.122 2.097 1.00 . A A . 18 VAL CA 1 1 21 6982 1 1 19 VAL CB C 9.832 0.994 3.454 1.00 . A A . 18 VAL CB 1 1 21 6983 1 1 19 VAL CG1 C 8.760 2.077 3.713 1.00 . A A . 18 VAL CG1 1 1 21 6984 1 1 19 VAL CG2 C 9.260 -0.381 3.843 1.00 . A A . 18 VAL CG2 1 1 21 6985 1 1 19 VAL H H 8.889 0.820 0.838 1.00 . A A . 18 VAL H 1 1 21 6986 1 1 19 VAL HA H 11.233 1.994 2.182 1.00 . A A . 18 VAL HA 1 1 21 6987 1 1 19 VAL HB H 10.631 1.149 4.158 1.00 . A A . 18 VAL HB 1 1 21 6988 1 1 19 VAL HG11 H 9.171 3.094 3.602 1.00 . A A . 18 VAL HG11 1 1 21 6989 1 1 19 VAL HG12 H 8.324 2.002 4.727 1.00 . A A . 18 VAL HG12 1 1 21 6990 1 1 19 VAL HG13 H 7.926 1.985 2.997 1.00 . A A . 18 VAL HG13 1 1 21 6991 1 1 19 VAL HG21 H 8.672 -0.352 4.778 1.00 . A A . 18 VAL HG21 1 1 21 6992 1 1 19 VAL HG22 H 8.626 -0.778 3.047 1.00 . A A . 18 VAL HG22 1 1 21 6993 1 1 19 VAL HG23 H 10.071 -1.115 4.002 1.00 . A A . 18 VAL HG23 1 1 21 6994 1 1 19 VAL N N 9.717 1.412 0.943 1.00 . A A . 18 VAL N 1 1 21 6995 1 1 19 VAL O O 12.777 0.108 1.966 1.00 . A A . 18 VAL O 1 1 21 6996 1 1 20 LYS C C 12.787 -2.114 -0.278 1.00 . A A . 19 LYS C 1 1 21 6997 1 1 20 LYS CA C 11.819 -2.370 0.940 1.00 . A A . 19 LYS CA 1 1 21 6998 1 1 20 LYS CB C 10.889 -3.581 0.659 1.00 . A A . 19 LYS CB 1 1 21 6999 1 1 20 LYS CD C 9.258 -5.356 1.643 1.00 . A A . 19 LYS CD 1 1 21 7000 1 1 20 LYS CE C 9.908 -6.650 1.115 1.00 . A A . 19 LYS CE 1 1 21 7001 1 1 20 LYS CG C 10.232 -4.195 1.918 1.00 . A A . 19 LYS CG 1 1 21 7002 1 1 20 LYS H H 9.985 -1.166 1.390 1.00 . A A . 19 LYS H 1 1 21 7003 1 1 20 LYS HA H 12.448 -2.627 1.808 1.00 . A A . 19 LYS HA 1 1 21 7004 1 1 20 LYS HB2 H 10.113 -3.303 -0.081 1.00 . A A . 19 LYS HB2 1 1 21 7005 1 1 20 LYS HB3 H 11.476 -4.381 0.167 1.00 . A A . 19 LYS HB3 1 1 21 7006 1 1 20 LYS HD2 H 8.742 -5.582 2.595 1.00 . A A . 19 LYS HD2 1 1 21 7007 1 1 20 LYS HD3 H 8.465 -5.013 0.951 1.00 . A A . 19 LYS HD3 1 1 21 7008 1 1 20 LYS HE2 H 10.407 -6.469 0.145 1.00 . A A . 19 LYS HE2 1 1 21 7009 1 1 20 LYS HE3 H 10.693 -6.998 1.810 1.00 . A A . 19 LYS HE3 1 1 21 7010 1 1 20 LYS HG2 H 11.015 -4.529 2.625 1.00 . A A . 19 LYS HG2 1 1 21 7011 1 1 20 LYS HG3 H 9.675 -3.406 2.458 1.00 . A A . 19 LYS HG3 1 1 21 7012 1 1 20 LYS HZ1 H 8.483 -7.953 1.845 1.00 . A A . 19 LYS HZ1 1 1 21 7013 1 1 20 LYS HZ3 H 9.368 -8.580 0.622 1.00 . A A . 19 LYS HZ3 1 1 21 7014 1 1 20 LYS N N 11.012 -1.184 1.337 1.00 . A A . 19 LYS N 1 1 21 7015 1 1 20 LYS NZ N 8.909 -7.720 0.941 1.00 . A A . 19 LYS NZ 1 1 21 7016 1 1 20 LYS O O 13.680 -2.930 -0.522 1.00 . A A . 19 LYS O 1 1 21 7017 1 1 21 GLU C C 14.655 0.274 -1.687 1.00 . A A . 20 GLU C 1 1 21 7018 1 1 21 GLU CA C 13.453 -0.580 -2.151 1.00 . A A . 20 GLU CA 1 1 21 7019 1 1 21 GLU CB C 12.543 0.050 -3.224 1.00 . A A . 20 GLU CB 1 1 21 7020 1 1 21 GLU CD C 13.746 -0.699 -5.388 1.00 . A A . 20 GLU CD 1 1 21 7021 1 1 21 GLU CG C 13.201 0.466 -4.554 1.00 . A A . 20 GLU CG 1 1 21 7022 1 1 21 GLU H H 11.980 -0.303 -0.592 1.00 . A A . 20 GLU H 1 1 21 7023 1 1 21 GLU HA H 13.853 -1.467 -2.587 1.00 . A A . 20 GLU HA 1 1 21 7024 1 1 21 GLU HB2 H 11.698 -0.630 -3.433 1.00 . A A . 20 GLU HB2 1 1 21 7025 1 1 21 GLU HB3 H 12.086 0.936 -2.774 1.00 . A A . 20 GLU HB3 1 1 21 7026 1 1 21 GLU HE2 H 11.924 -0.852 -6.056 1.00 . A A . 20 GLU HE2 1 1 21 7027 1 1 21 GLU HG2 H 12.458 1.027 -5.149 1.00 . A A . 20 GLU HG2 1 1 21 7028 1 1 21 GLU HG3 H 14.014 1.186 -4.349 1.00 . A A . 20 GLU HG3 1 1 21 7029 1 1 21 GLU N N 12.611 -0.992 -1.016 1.00 . A A . 20 GLU N 1 1 21 7030 1 1 21 GLU O O 15.813 -0.119 -1.830 1.00 . A A . 20 GLU O 1 1 21 7031 1 1 21 GLU OE1 O 14.920 -1.065 -5.353 1.00 . A A . 20 GLU OE1 1 1 21 7032 1 1 21 GLU OE2 O 12.777 -1.278 -6.168 1.00 . A A . 20 GLU OE2 1 1 21 7033 1 1 22 NH2 HN1 H 13.569 1.855 -1.424 1.00 . A A . 21 NH2 HN1 1 1 21 7034 1 1 22 NH2 HN2 H 14.416 1.125 -0.055 1.00 . A A . 21 NH2 HN2 1 1 21 7035 1 1 22 NH2 N N 14.404 1.396 -1.040 1.00 . A A . 21 NH2 N 1 1 22 7036 1 1 2 GLU C C -13.057 -2.814 -2.101 1.00 . A A . 1 ACE C 1 1 22 7037 1 1 2 GLU CA C -14.097 -0.658 -1.323 1.00 . A A . 1 ACE CA 1 1 22 7038 1 1 2 GLU CB C -15.374 -0.430 -0.441 1.00 . A A . 1 ACE CB 1 1 22 7039 1 1 2 GLU CD C -16.902 -2.540 -0.650 1.00 . A A . 1 ACE CD 1 1 22 7040 1 1 2 GLU CG C -16.710 -1.042 -0.915 1.00 . A A . 1 ACE CG 1 1 22 7041 1 1 2 GLU H H -14.410 -2.696 -0.684 1.00 . A A . 1 ACE H 1 1 22 7042 1 1 2 GLU HA H -14.428 -0.444 -2.354 1.00 . A A . 1 ACE HA 1 1 22 7043 1 1 2 GLU HB2 H -15.160 -0.686 0.614 1.00 . A A . 1 ACE HB2 1 1 22 7044 1 1 2 GLU HB3 H -15.578 0.651 -0.417 1.00 . A A . 1 ACE HB3 1 1 22 7045 1 1 2 GLU HE2 H -17.215 -2.001 1.195 1.00 . A A . 1 ACE HE2 1 1 22 7046 1 1 2 GLU HG2 H -17.530 -0.493 -0.416 1.00 . A A . 1 ACE HG2 1 1 22 7047 1 1 2 GLU HG3 H -16.839 -0.828 -1.992 1.00 . A A . 1 ACE HG3 1 1 22 7048 1 1 2 GLU N N -13.748 -2.100 -1.191 1.00 . A A . 1 ACE N 1 1 22 7049 1 1 2 GLU O O -12.984 -4.030 -1.931 1.00 . A A . 1 ACE O 1 1 22 7050 1 1 2 GLU OE1 O -16.809 -3.400 -1.525 1.00 . A A . 1 ACE OE1 1 1 22 7051 1 1 2 GLU OE2 O -17.185 -2.802 0.666 1.00 . A A . 1 ACE OE2 1 1 22 7052 1 1 3 SER C C -11.151 2.086 0.884 1.00 . A A . 2 SER C 1 1 22 7053 1 1 3 SER CA C -12.180 2.557 -0.161 1.00 . A A . 2 SER CA 1 1 22 7054 1 1 3 SER CB C -12.909 3.826 0.294 1.00 . A A . 2 SER CB 1 1 22 7055 1 1 3 SER H H -14.197 1.727 -0.557 1.00 . A A . 2 SER H 1 1 22 7056 1 1 3 SER HA H -11.650 2.843 -1.069 1.00 . A A . 2 SER HA 1 1 22 7057 1 1 3 SER HB2 H -13.788 4.031 -0.334 1.00 . A A . 2 SER HB2 1 1 22 7058 1 1 3 SER HB3 H -13.306 3.658 1.297 1.00 . A A . 2 SER HB3 1 1 22 7059 1 1 3 SER HG H -11.324 4.734 0.895 1.00 . A A . 2 SER HG 1 1 22 7060 1 1 3 SER N N -13.193 1.529 -0.538 1.00 . A A . 2 SER N 1 1 22 7061 1 1 3 SER O O -9.955 2.316 0.715 1.00 . A A . 2 SER O 1 1 22 7062 1 1 3 SER OG O -12.042 4.954 0.298 1.00 . A A . 2 SER OG 1 1 22 7063 1 1 4 ALA C C -10.045 -0.492 2.735 1.00 . A A . 3 ALA C 1 1 22 7064 1 1 4 ALA CA C -10.775 0.866 3.016 1.00 . A A . 3 ALA CA 1 1 22 7065 1 1 4 ALA CB C -11.574 0.818 4.316 1.00 . A A . 3 ALA CB 1 1 22 7066 1 1 4 ALA H H -12.672 1.428 1.935 1.00 . A A . 3 ALA H 1 1 22 7067 1 1 4 ALA HA H -9.931 1.562 3.081 1.00 . A A . 3 ALA HA 1 1 22 7068 1 1 4 ALA HB1 H -12.004 1.806 4.559 1.00 . A A . 3 ALA HB1 1 1 22 7069 1 1 4 ALA HB2 H -12.402 0.089 4.235 1.00 . A A . 3 ALA HB2 1 1 22 7070 1 1 4 ALA HB3 H -10.931 0.511 5.158 1.00 . A A . 3 ALA HB3 1 1 22 7071 1 1 4 ALA N N -11.648 1.439 1.953 1.00 . A A . 3 ALA N 1 1 22 7072 1 1 4 ALA O O -9.475 -1.143 3.614 1.00 . A A . 3 ALA O 1 1 22 7073 1 1 5 LYS C C -8.928 -1.686 -0.633 1.00 . A A . 4 LYS C 1 1 22 7074 1 1 5 LYS CA C -9.485 -2.028 0.811 1.00 . A A . 4 LYS CA 1 1 22 7075 1 1 5 LYS CB C -10.434 -3.251 0.784 1.00 . A A . 4 LYS CB 1 1 22 7076 1 1 5 LYS CD C -11.675 -5.139 2.002 1.00 . A A . 4 LYS CD 1 1 22 7077 1 1 5 LYS CE C -12.002 -5.791 3.358 1.00 . A A . 4 LYS CE 1 1 22 7078 1 1 5 LYS CG C -10.760 -3.907 2.143 1.00 . A A . 4 LYS CG 1 1 22 7079 1 1 5 LYS H H -10.672 -0.182 0.959 1.00 . A A . 4 LYS H 1 1 22 7080 1 1 5 LYS HA H -8.563 -2.189 1.391 1.00 . A A . 4 LYS HA 1 1 22 7081 1 1 5 LYS HB2 H -11.368 -2.945 0.277 1.00 . A A . 4 LYS HB2 1 1 22 7082 1 1 5 LYS HB3 H -9.986 -4.023 0.132 1.00 . A A . 4 LYS HB3 1 1 22 7083 1 1 5 LYS HD2 H -12.613 -4.843 1.494 1.00 . A A . 4 LYS HD2 1 1 22 7084 1 1 5 LYS HD3 H -11.191 -5.881 1.338 1.00 . A A . 4 LYS HD3 1 1 22 7085 1 1 5 LYS HE2 H -11.073 -6.103 3.871 1.00 . A A . 4 LYS HE2 1 1 22 7086 1 1 5 LYS HE3 H -12.498 -5.064 4.027 1.00 . A A . 4 LYS HE3 1 1 22 7087 1 1 5 LYS HG2 H -9.818 -4.195 2.647 1.00 . A A . 4 LYS HG2 1 1 22 7088 1 1 5 LYS HG3 H -11.246 -3.168 2.806 1.00 . A A . 4 LYS HG3 1 1 22 7089 1 1 5 LYS HZ1 H -13.054 -7.402 4.106 1.00 . A A . 4 LYS HZ1 1 1 22 7090 1 1 5 LYS HZ3 H -12.404 -7.682 2.632 1.00 . A A . 4 LYS HZ3 1 1 22 7091 1 1 5 LYS N N -10.105 -0.858 1.464 1.00 . A A . 4 LYS N 1 1 22 7092 1 1 5 LYS NZ N -12.877 -6.966 3.194 1.00 . A A . 4 LYS NZ 1 1 22 7093 1 1 5 LYS O O -8.693 -2.562 -1.470 1.00 . A A . 4 LYS O 1 1 22 7094 1 1 6 HIS C C -7.057 1.206 -1.587 1.00 . A A . 5 HIS C 1 1 22 7095 1 1 6 HIS CA C -8.171 0.245 -2.099 1.00 . A A . 5 HIS CA 1 1 22 7096 1 1 6 HIS CB C -9.220 0.889 -3.031 1.00 . A A . 5 HIS CB 1 1 22 7097 1 1 6 HIS CD2 C -8.328 0.225 -5.364 1.00 . A A . 5 HIS CD2 1 1 22 7098 1 1 6 HIS CE1 C -7.519 2.072 -5.960 1.00 . A A . 5 HIS CE1 1 1 22 7099 1 1 6 HIS CG C -8.605 1.198 -4.391 1.00 . A A . 5 HIS CG 1 1 22 7100 1 1 6 HIS H H -9.308 0.159 -0.231 1.00 . A A . 5 HIS H 1 1 22 7101 1 1 6 HIS HA H -7.632 -0.542 -2.633 1.00 . A A . 5 HIS HA 1 1 22 7102 1 1 6 HIS HB2 H -10.072 0.200 -3.179 1.00 . A A . 5 HIS HB2 1 1 22 7103 1 1 6 HIS HB3 H -9.655 1.798 -2.572 1.00 . A A . 5 HIS HB3 1 1 22 7104 1 1 6 HIS HD2 H -8.561 -0.827 -5.275 1.00 . A A . 5 HIS HD2 1 1 22 7105 1 1 6 HIS HE1 H -6.978 2.803 -6.544 1.00 . A A . 5 HIS HE1 1 1 22 7106 1 1 6 HIS HE2 H -7.242 0.347 -7.255 1.00 . A A . 5 HIS HE2 1 1 22 7107 1 1 6 HIS N N -8.732 -0.383 -0.884 1.00 . A A . 5 HIS N 1 1 22 7108 1 1 6 HIS ND1 N -8.075 2.432 -4.756 1.00 . A A . 5 HIS ND1 1 1 22 7109 1 1 6 HIS NE2 N -7.639 0.788 -6.417 1.00 . A A . 5 HIS NE2 1 1 22 7110 1 1 6 HIS O O -5.963 1.199 -2.158 1.00 . A A . 5 HIS O 1 1 22 7111 1 1 7 MET C C -5.428 2.043 0.890 1.00 . A A . 6 MET C 1 1 22 7112 1 1 7 MET CA C -6.342 2.967 0.054 1.00 . A A . 6 MET CA 1 1 22 7113 1 1 7 MET CB C -6.966 4.132 0.867 1.00 . A A . 6 MET CB 1 1 22 7114 1 1 7 MET CE C -6.848 7.213 -0.747 1.00 . A A . 6 MET CE 1 1 22 7115 1 1 7 MET CG C -8.112 4.880 0.161 1.00 . A A . 6 MET CG 1 1 22 7116 1 1 7 MET H H -8.195 1.894 -0.056 1.00 . A A . 6 MET H 1 1 22 7117 1 1 7 MET HA H -5.709 3.355 -0.747 1.00 . A A . 6 MET HA 1 1 22 7118 1 1 7 MET HB2 H -7.338 3.774 1.845 1.00 . A A . 6 MET HB2 1 1 22 7119 1 1 7 MET HB3 H -6.162 4.849 1.116 1.00 . A A . 6 MET HB3 1 1 22 7120 1 1 7 MET HE1 H -5.869 6.721 -0.601 1.00 . A A . 6 MET HE1 1 1 22 7121 1 1 7 MET HE2 H -6.695 8.305 -0.677 1.00 . A A . 6 MET HE2 1 1 22 7122 1 1 7 MET HE3 H -7.204 6.983 -1.767 1.00 . A A . 6 MET HE3 1 1 22 7123 1 1 7 MET HG2 H -8.103 4.671 -0.924 1.00 . A A . 6 MET HG2 1 1 22 7124 1 1 7 MET HG3 H -9.084 4.493 0.516 1.00 . A A . 6 MET HG3 1 1 22 7125 1 1 7 MET N N -7.331 2.063 -0.568 1.00 . A A . 6 MET N 1 1 22 7126 1 1 7 MET O O -4.224 2.118 0.693 1.00 . A A . 6 MET O 1 1 22 7127 1 1 7 MET SD S -8.041 6.662 0.491 1.00 . A A . 6 MET SD 1 1 22 7128 1 1 8 PHE C C -4.425 -0.821 1.650 1.00 . A A . 7 PHE C 1 1 22 7129 1 1 8 PHE CA C -5.186 0.190 2.563 1.00 . A A . 7 PHE CA 1 1 22 7130 1 1 8 PHE CB C -6.148 -0.534 3.531 1.00 . A A . 7 PHE CB 1 1 22 7131 1 1 8 PHE CD1 C -5.478 -0.115 5.943 1.00 . A A . 7 PHE CD1 1 1 22 7132 1 1 8 PHE CD2 C -7.345 1.123 5.038 1.00 . A A . 7 PHE CD2 1 1 22 7133 1 1 8 PHE CE1 C -5.629 0.548 7.156 1.00 . A A . 7 PHE CE1 1 1 22 7134 1 1 8 PHE CE2 C -7.496 1.784 6.251 1.00 . A A . 7 PHE CE2 1 1 22 7135 1 1 8 PHE CG C -6.334 0.169 4.877 1.00 . A A . 7 PHE CG 1 1 22 7136 1 1 8 PHE CZ C -6.639 1.498 7.313 1.00 . A A . 7 PHE CZ 1 1 22 7137 1 1 8 PHE H H -6.979 1.049 1.685 1.00 . A A . 7 PHE H 1 1 22 7138 1 1 8 PHE HA H -4.431 0.757 3.113 1.00 . A A . 7 PHE HA 1 1 22 7139 1 1 8 PHE HB2 H -7.118 -0.616 3.032 1.00 . A A . 7 PHE HB2 1 1 22 7140 1 1 8 PHE HB3 H -5.863 -1.592 3.686 1.00 . A A . 7 PHE HB3 1 1 22 7141 1 1 8 PHE HD1 H -4.686 -0.843 5.833 1.00 . A A . 7 PHE HD1 1 1 22 7142 1 1 8 PHE HD2 H -8.009 1.365 4.221 1.00 . A A . 7 PHE HD2 1 1 22 7143 1 1 8 PHE HE1 H -4.951 0.321 7.962 1.00 . A A . 7 PHE HE1 1 1 22 7144 1 1 8 PHE HE2 H -8.277 2.521 6.346 1.00 . A A . 7 PHE HE2 1 1 22 7145 1 1 8 PHE HZ H -6.753 2.015 8.254 1.00 . A A . 7 PHE HZ 1 1 22 7146 1 1 8 PHE N N -5.970 1.169 1.771 1.00 . A A . 7 PHE N 1 1 22 7147 1 1 8 PHE O O -3.323 -1.236 2.011 1.00 . A A . 7 PHE O 1 1 22 7148 1 1 9 ASP C C -3.097 -1.415 -1.088 1.00 . A A . 8 ASP C 1 1 22 7149 1 1 9 ASP CA C -4.356 -2.124 -0.493 1.00 . A A . 8 ASP CA 1 1 22 7150 1 1 9 ASP CB C -5.368 -2.491 -1.604 1.00 . A A . 8 ASP CB 1 1 22 7151 1 1 9 ASP CG C -4.953 -3.659 -2.508 1.00 . A A . 8 ASP CG 1 1 22 7152 1 1 9 ASP H H -6.017 -0.966 0.481 1.00 . A A . 8 ASP H 1 1 22 7153 1 1 9 ASP HA H -4.100 -3.073 0.019 1.00 . A A . 8 ASP HA 1 1 22 7154 1 1 9 ASP HB2 H -6.315 -2.758 -1.124 1.00 . A A . 8 ASP HB2 1 1 22 7155 1 1 9 ASP HB3 H -5.612 -1.608 -2.224 1.00 . A A . 8 ASP HB3 1 1 22 7156 1 1 9 ASP HD2 H -4.184 -2.282 -3.649 1.00 . A A . 8 ASP HD2 1 1 22 7157 1 1 9 ASP N N -5.015 -1.213 0.494 1.00 . A A . 8 ASP N 1 1 22 7158 1 1 9 ASP O O -2.016 -2.009 -1.125 1.00 . A A . 8 ASP O 1 1 22 7159 1 1 9 ASP OD1 O -5.201 -4.836 -2.250 1.00 . A A . 8 ASP OD1 1 1 22 7160 1 1 9 ASP OD2 O -4.279 -3.237 -3.626 1.00 . A A . 8 ASP OD2 1 1 22 7161 1 1 10 ARG C C -1.138 0.989 -0.966 1.00 . A A . 9 ARG C 1 1 22 7162 1 1 10 ARG CA C -2.181 0.707 -2.071 1.00 . A A . 9 ARG CA 1 1 22 7163 1 1 10 ARG CB C -2.710 2.007 -2.731 1.00 . A A . 9 ARG CB 1 1 22 7164 1 1 10 ARG CD C -2.690 1.359 -5.245 1.00 . A A . 9 ARG CD 1 1 22 7165 1 1 10 ARG CG C -3.525 1.840 -4.038 1.00 . A A . 9 ARG CG 1 1 22 7166 1 1 10 ARG CZ C -4.130 0.169 -6.929 1.00 . A A . 9 ARG CZ 1 1 22 7167 1 1 10 ARG H H -4.248 0.182 -1.455 1.00 . A A . 9 ARG H 1 1 22 7168 1 1 10 ARG HA H -1.660 0.098 -2.810 1.00 . A A . 9 ARG HA 1 1 22 7169 1 1 10 ARG HB2 H -3.327 2.562 -1.998 1.00 . A A . 9 ARG HB2 1 1 22 7170 1 1 10 ARG HB3 H -1.859 2.684 -2.942 1.00 . A A . 9 ARG HB3 1 1 22 7171 1 1 10 ARG HD2 H -1.859 2.069 -5.414 1.00 . A A . 9 ARG HD2 1 1 22 7172 1 1 10 ARG HD3 H -2.195 0.395 -5.021 1.00 . A A . 9 ARG HD3 1 1 22 7173 1 1 10 ARG HG2 H -4.375 1.152 -3.865 1.00 . A A . 9 ARG HG2 1 1 22 7174 1 1 10 ARG HG3 H -3.987 2.814 -4.286 1.00 . A A . 9 ARG HG3 1 1 22 7175 1 1 10 ARG HH11 H -3.767 -0.973 -5.311 1.00 . A A . 9 ARG HH11 1 1 22 7176 1 1 10 ARG HH12 H -4.766 -1.721 -6.656 1.00 . A A . 9 ARG HH12 1 1 22 7177 1 1 10 ARG HH21 H -4.624 1.097 -8.633 1.00 . A A . 9 ARG HH21 1 1 22 7178 1 1 10 ARG HH22 H -5.218 -0.625 -8.410 1.00 . A A . 9 ARG HH22 1 1 22 7179 1 1 10 ARG N N -3.272 -0.142 -1.532 1.00 . A A . 9 ARG N 1 1 22 7180 1 1 10 ARG NE N -3.463 1.263 -6.508 1.00 . A A . 9 ARG NE 1 1 22 7181 1 1 10 ARG NH1 N -4.232 -0.958 -6.226 1.00 . A A . 9 ARG NH1 1 1 22 7182 1 1 10 ARG NH2 N -4.717 0.218 -8.110 1.00 . A A . 9 ARG NH2 1 1 22 7183 1 1 10 ARG O O 0.018 0.606 -1.132 1.00 . A A . 9 ARG O 1 1 22 7184 1 1 11 ILE C C 0.206 0.647 1.774 1.00 . A A . 10 ILE C 1 1 22 7185 1 1 11 ILE CA C -0.669 1.875 1.354 1.00 . A A . 10 ILE CA 1 1 22 7186 1 1 11 ILE CB C -1.623 2.440 2.453 1.00 . A A . 10 ILE CB 1 1 22 7187 1 1 11 ILE CD1 C -3.324 4.368 2.825 1.00 . A A . 10 ILE CD1 1 1 22 7188 1 1 11 ILE CG1 C -2.075 3.882 2.094 1.00 . A A . 10 ILE CG1 1 1 22 7189 1 1 11 ILE CG2 C -1.134 2.350 3.908 1.00 . A A . 10 ILE CG2 1 1 22 7190 1 1 11 ILE H H -2.551 1.831 0.240 1.00 . A A . 10 ILE H 1 1 22 7191 1 1 11 ILE HA H 0.019 2.670 1.060 1.00 . A A . 10 ILE HA 1 1 22 7192 1 1 11 ILE HB H -2.501 1.791 2.438 1.00 . A A . 10 ILE HB 1 1 22 7193 1 1 11 ILE HD11 H -3.705 5.289 2.353 1.00 . A A . 10 ILE HD11 1 1 22 7194 1 1 11 ILE HD12 H -4.127 3.612 2.773 1.00 . A A . 10 ILE HD12 1 1 22 7195 1 1 11 ILE HD13 H -3.114 4.564 3.887 1.00 . A A . 10 ILE HD13 1 1 22 7196 1 1 11 ILE HG12 H -1.234 4.580 2.220 1.00 . A A . 10 ILE HG12 1 1 22 7197 1 1 11 ILE HG13 H -2.323 3.931 1.020 1.00 . A A . 10 ILE HG13 1 1 22 7198 1 1 11 ILE HG21 H -0.939 1.298 4.185 1.00 . A A . 10 ILE HG21 1 1 22 7199 1 1 11 ILE HG22 H -0.214 2.935 4.065 1.00 . A A . 10 ILE HG22 1 1 22 7200 1 1 11 ILE HG23 H -1.912 2.703 4.608 1.00 . A A . 10 ILE HG23 1 1 22 7201 1 1 11 ILE N N -1.545 1.592 0.168 1.00 . A A . 10 ILE N 1 1 22 7202 1 1 11 ILE O O 1.400 0.797 2.049 1.00 . A A . 10 ILE O 1 1 22 7203 1 1 12 GLY C C 1.406 -2.246 1.177 1.00 . A A . 11 GLY C 1 1 22 7204 1 1 12 GLY CA C 0.235 -1.825 2.103 1.00 . A A . 11 GLY CA 1 1 22 7205 1 1 12 GLY H H -1.433 -0.450 1.619 1.00 . A A . 11 GLY H 1 1 22 7206 1 1 12 GLY HA2 H 0.606 -1.757 3.137 1.00 . A A . 11 GLY HA2 1 1 22 7207 1 1 12 GLY HA3 H -0.526 -2.617 2.044 1.00 . A A . 11 GLY HA3 1 1 22 7208 1 1 12 GLY N N -0.427 -0.541 1.797 1.00 . A A . 11 GLY N 1 1 22 7209 1 1 12 GLY O O 2.207 -3.089 1.580 1.00 . A A . 11 GLY O 1 1 22 7210 1 1 13 LYS C C 2.828 -0.658 -1.869 1.00 . A A . 12 LYS C 1 1 22 7211 1 1 13 LYS CA C 2.478 -1.978 -1.083 1.00 . A A . 12 LYS CA 1 1 22 7212 1 1 13 LYS CB C 2.215 -3.194 -2.023 1.00 . A A . 12 LYS CB 1 1 22 7213 1 1 13 LYS CD C 0.746 -5.082 -0.992 1.00 . A A . 12 LYS CD 1 1 22 7214 1 1 13 LYS CE C 0.757 -6.468 -0.325 1.00 . A A . 12 LYS CE 1 1 22 7215 1 1 13 LYS CG C 2.159 -4.606 -1.392 1.00 . A A . 12 LYS CG 1 1 22 7216 1 1 13 LYS H H 0.561 -1.226 -0.291 1.00 . A A . 12 LYS H 1 1 22 7217 1 1 13 LYS HA H 3.414 -2.123 -0.520 1.00 . A A . 12 LYS HA 1 1 22 7218 1 1 13 LYS HB2 H 1.314 -3.014 -2.640 1.00 . A A . 12 LYS HB2 1 1 22 7219 1 1 13 LYS HB3 H 3.041 -3.226 -2.759 1.00 . A A . 12 LYS HB3 1 1 22 7220 1 1 13 LYS HD2 H 0.276 -4.349 -0.311 1.00 . A A . 12 LYS HD2 1 1 22 7221 1 1 13 LYS HD3 H 0.103 -5.104 -1.894 1.00 . A A . 12 LYS HD3 1 1 22 7222 1 1 13 LYS HE2 H 1.205 -7.220 -1.001 1.00 . A A . 12 LYS HE2 1 1 22 7223 1 1 13 LYS HE3 H 1.386 -6.454 0.584 1.00 . A A . 12 LYS HE3 1 1 22 7224 1 1 13 LYS HG2 H 2.566 -5.330 -2.124 1.00 . A A . 12 LYS HG2 1 1 22 7225 1 1 13 LYS HG3 H 2.849 -4.661 -0.529 1.00 . A A . 12 LYS HG3 1 1 22 7226 1 1 13 LYS HZ1 H -1.202 -6.924 -0.792 1.00 . A A . 12 LYS HZ1 1 1 22 7227 1 1 13 LYS HZ3 H -1.033 -6.217 0.672 1.00 . A A . 12 LYS HZ3 1 1 22 7228 1 1 13 LYS N N 1.413 -1.750 -0.076 1.00 . A A . 12 LYS N 1 1 22 7229 1 1 13 LYS NZ N -0.603 -6.902 0.041 1.00 . A A . 12 LYS NZ 1 1 22 7230 1 1 13 LYS O O 3.041 -0.661 -3.086 1.00 . A A . 12 LYS O 1 1 22 7231 1 1 14 ASP C C 4.366 2.258 -0.660 1.00 . A A . 13 ASP C 1 1 22 7232 1 1 14 ASP CA C 3.304 1.812 -1.647 1.00 . A A . 13 ASP CA 1 1 22 7233 1 1 14 ASP CB C 2.127 2.771 -1.827 1.00 . A A . 13 ASP CB 1 1 22 7234 1 1 14 ASP CG C 2.408 3.997 -2.701 1.00 . A A . 13 ASP CG 1 1 22 7235 1 1 14 ASP H H 2.510 0.425 -0.198 1.00 . A A . 13 ASP H 1 1 22 7236 1 1 14 ASP HA H 3.856 1.698 -2.566 1.00 . A A . 13 ASP HA 1 1 22 7237 1 1 14 ASP HB2 H 1.278 2.205 -2.214 1.00 . A A . 13 ASP HB2 1 1 22 7238 1 1 14 ASP HB3 H 1.808 3.089 -0.835 1.00 . A A . 13 ASP HB3 1 1 22 7239 1 1 14 ASP HD2 H 1.878 2.851 -4.182 1.00 . A A . 13 ASP HD2 1 1 22 7240 1 1 14 ASP N N 2.930 0.470 -1.136 1.00 . A A . 13 ASP N 1 1 22 7241 1 1 14 ASP O O 5.491 2.493 -1.101 1.00 . A A . 13 ASP O 1 1 22 7242 1 1 14 ASP OD1 O 2.800 5.073 -2.250 1.00 . A A . 13 ASP OD1 1 1 22 7243 1 1 14 ASP OD2 O 2.178 3.751 -4.030 1.00 . A A . 13 ASP OD2 1 1 22 7244 1 1 15 VAL C C 5.384 1.582 2.546 1.00 . A A . 14 VAL C 1 1 22 7245 1 1 15 VAL CA C 5.032 2.825 1.647 1.00 . A A . 14 VAL CA 1 1 22 7246 1 1 15 VAL CB C 4.779 4.154 2.368 1.00 . A A . 14 VAL CB 1 1 22 7247 1 1 15 VAL CG1 C 4.727 5.297 1.342 1.00 . A A . 14 VAL CG1 1 1 22 7248 1 1 15 VAL CG2 C 3.525 4.122 3.260 1.00 . A A . 14 VAL CG2 1 1 22 7249 1 1 15 VAL H H 3.095 2.099 0.872 1.00 . A A . 14 VAL H 1 1 22 7250 1 1 15 VAL HA H 5.983 2.951 1.104 1.00 . A A . 14 VAL HA 1 1 22 7251 1 1 15 VAL HB H 5.680 4.316 2.983 1.00 . A A . 14 VAL HB 1 1 22 7252 1 1 15 VAL HG11 H 3.848 5.188 0.676 1.00 . A A . 14 VAL HG11 1 1 22 7253 1 1 15 VAL HG12 H 5.623 5.265 0.692 1.00 . A A . 14 VAL HG12 1 1 22 7254 1 1 15 VAL HG13 H 4.681 6.277 1.833 1.00 . A A . 14 VAL HG13 1 1 22 7255 1 1 15 VAL HG21 H 3.388 5.075 3.796 1.00 . A A . 14 VAL HG21 1 1 22 7256 1 1 15 VAL HG22 H 2.616 3.922 2.662 1.00 . A A . 14 VAL HG22 1 1 22 7257 1 1 15 VAL HG23 H 3.597 3.318 4.015 1.00 . A A . 14 VAL HG23 1 1 22 7258 1 1 15 VAL N N 4.006 2.477 0.623 1.00 . A A . 14 VAL N 1 1 22 7259 1 1 15 VAL O O 5.519 1.573 3.772 1.00 . A A . 14 VAL O 1 1 22 7260 1 1 16 TYR C C 6.904 -1.138 0.796 1.00 . A A . 15 TYR C 1 1 22 7261 1 1 16 TYR CA C 5.997 -0.814 2.017 1.00 . A A . 15 TYR CA 1 1 22 7262 1 1 16 TYR CB C 4.854 -1.803 2.292 1.00 . A A . 15 TYR CB 1 1 22 7263 1 1 16 TYR CD1 C 5.906 -3.602 3.753 1.00 . A A . 15 TYR CD1 1 1 22 7264 1 1 16 TYR CD2 C 5.361 -4.160 1.466 1.00 . A A . 15 TYR CD2 1 1 22 7265 1 1 16 TYR CE1 C 6.476 -4.860 3.924 1.00 . A A . 15 TYR CE1 1 1 22 7266 1 1 16 TYR CE2 C 5.934 -5.418 1.639 1.00 . A A . 15 TYR CE2 1 1 22 7267 1 1 16 TYR CG C 5.344 -3.243 2.524 1.00 . A A . 15 TYR CG 1 1 22 7268 1 1 16 TYR CZ C 6.490 -5.770 2.868 1.00 . A A . 15 TYR CZ 1 1 22 7269 1 1 16 TYR H H 5.142 0.840 0.829 1.00 . A A . 15 TYR H 1 1 22 7270 1 1 16 TYR HA H 6.644 -0.764 2.888 1.00 . A A . 15 TYR HA 1 1 22 7271 1 1 16 TYR HB2 H 4.259 -1.462 3.161 1.00 . A A . 15 TYR HB2 1 1 22 7272 1 1 16 TYR HB3 H 4.165 -1.750 1.439 1.00 . A A . 15 TYR HB3 1 1 22 7273 1 1 16 TYR HD1 H 5.947 -2.887 4.562 1.00 . A A . 15 TYR HD1 1 1 22 7274 1 1 16 TYR HD2 H 4.983 -3.884 0.491 1.00 . A A . 15 TYR HD2 1 1 22 7275 1 1 16 TYR HE1 H 6.929 -5.110 4.873 1.00 . A A . 15 TYR HE1 1 1 22 7276 1 1 16 TYR HE2 H 5.967 -6.103 0.806 1.00 . A A . 15 TYR HE2 1 1 22 7277 1 1 16 TYR HH H 7.415 -7.071 3.923 1.00 . A A . 15 TYR HH 1 1 22 7278 1 1 16 TYR N N 5.588 0.560 1.734 1.00 . A A . 15 TYR N 1 1 22 7279 1 1 16 TYR O O 7.985 -1.688 1.011 1.00 . A A . 15 TYR O 1 1 22 7280 1 1 16 TYR OH O 7.077 -6.999 3.027 1.00 . A A . 15 TYR OH 1 1 22 7281 1 1 17 ASP C C 8.401 0.008 -1.737 1.00 . A A . 16 ASP C 1 1 22 7282 1 1 17 ASP CA C 7.324 -1.110 -1.649 1.00 . A A . 16 ASP CA 1 1 22 7283 1 1 17 ASP CB C 6.490 -1.365 -2.912 1.00 . A A . 16 ASP CB 1 1 22 7284 1 1 17 ASP CG C 7.274 -1.918 -4.109 1.00 . A A . 16 ASP CG 1 1 22 7285 1 1 17 ASP H H 5.622 -0.296 -0.497 1.00 . A A . 16 ASP H 1 1 22 7286 1 1 17 ASP HA H 7.908 -1.989 -1.418 1.00 . A A . 16 ASP HA 1 1 22 7287 1 1 17 ASP HB2 H 5.659 -2.062 -2.692 1.00 . A A . 16 ASP HB2 1 1 22 7288 1 1 17 ASP HB3 H 6.018 -0.416 -3.174 1.00 . A A . 16 ASP HB3 1 1 22 7289 1 1 17 ASP HD2 H 8.223 -1.274 -5.682 1.00 . A A . 16 ASP HD2 1 1 22 7290 1 1 17 ASP N N 6.465 -0.887 -0.469 1.00 . A A . 16 ASP N 1 1 22 7291 1 1 17 ASP O O 9.531 -0.320 -2.105 1.00 . A A . 16 ASP O 1 1 22 7292 1 1 17 ASP OD1 O 7.467 -3.119 -4.294 1.00 . A A . 16 ASP OD1 1 1 22 7293 1 1 17 ASP OD2 O 7.732 -0.924 -4.936 1.00 . A A . 16 ASP OD2 1 1 22 7294 1 1 18 LYS C C 10.147 2.158 -0.244 1.00 . A A . 17 LYS C 1 1 22 7295 1 1 18 LYS CA C 9.108 2.369 -1.413 1.00 . A A . 17 LYS CA 1 1 22 7296 1 1 18 LYS CB C 8.396 3.747 -1.361 1.00 . A A . 17 LYS CB 1 1 22 7297 1 1 18 LYS CD C 8.530 6.304 -1.587 1.00 . A A . 17 LYS CD 1 1 22 7298 1 1 18 LYS CE C 9.442 7.522 -1.825 1.00 . A A . 17 LYS CE 1 1 22 7299 1 1 18 LYS CG C 9.306 4.972 -1.600 1.00 . A A . 17 LYS CG 1 1 22 7300 1 1 18 LYS H H 7.143 1.477 -1.063 1.00 . A A . 17 LYS H 1 1 22 7301 1 1 18 LYS HA H 9.643 2.290 -2.370 1.00 . A A . 17 LYS HA 1 1 22 7302 1 1 18 LYS HB2 H 7.597 3.772 -2.128 1.00 . A A . 17 LYS HB2 1 1 22 7303 1 1 18 LYS HB3 H 7.872 3.861 -0.391 1.00 . A A . 17 LYS HB3 1 1 22 7304 1 1 18 LYS HD2 H 7.737 6.275 -2.359 1.00 . A A . 17 LYS HD2 1 1 22 7305 1 1 18 LYS HD3 H 8.006 6.414 -0.617 1.00 . A A . 17 LYS HD3 1 1 22 7306 1 1 18 LYS HE2 H 10.232 7.571 -1.052 1.00 . A A . 17 LYS HE2 1 1 22 7307 1 1 18 LYS HE3 H 9.962 7.432 -2.796 1.00 . A A . 17 LYS HE3 1 1 22 7308 1 1 18 LYS HG2 H 10.098 5.004 -0.829 1.00 . A A . 17 LYS HG2 1 1 22 7309 1 1 18 LYS HG3 H 9.830 4.857 -2.568 1.00 . A A . 17 LYS HG3 1 1 22 7310 1 1 18 LYS HZ1 H 7.982 8.782 -2.563 1.00 . A A . 17 LYS HZ1 1 1 22 7311 1 1 18 LYS HZ3 H 9.297 9.574 -2.000 1.00 . A A . 17 LYS HZ3 1 1 22 7312 1 1 18 LYS N N 8.093 1.290 -1.416 1.00 . A A . 17 LYS N 1 1 22 7313 1 1 18 LYS NZ N 8.675 8.781 -1.807 1.00 . A A . 17 LYS NZ 1 1 22 7314 1 1 18 LYS O O 11.281 2.629 -0.374 1.00 . A A . 17 LYS O 1 1 22 7315 1 1 19 VAL C C 11.599 -0.056 1.691 1.00 . A A . 18 VAL C 1 1 22 7316 1 1 19 VAL CA C 10.680 1.151 1.999 1.00 . A A . 18 VAL CA 1 1 22 7317 1 1 19 VAL CB C 9.955 1.082 3.381 1.00 . A A . 18 VAL CB 1 1 22 7318 1 1 19 VAL CG1 C 8.910 2.193 3.631 1.00 . A A . 18 VAL CG1 1 1 22 7319 1 1 19 VAL CG2 C 9.373 -0.267 3.844 1.00 . A A . 18 VAL CG2 1 1 22 7320 1 1 19 VAL H H 8.920 0.906 0.801 1.00 . A A . 18 VAL H 1 1 22 7321 1 1 19 VAL HA H 11.359 1.997 2.045 1.00 . A A . 18 VAL HA 1 1 22 7322 1 1 19 VAL HB H 10.777 1.250 4.053 1.00 . A A . 18 VAL HB 1 1 22 7323 1 1 19 VAL HG11 H 8.516 2.173 4.665 1.00 . A A . 18 VAL HG11 1 1 22 7324 1 1 19 VAL HG12 H 8.043 2.081 2.956 1.00 . A A . 18 VAL HG12 1 1 22 7325 1 1 19 VAL HG13 H 9.330 3.197 3.455 1.00 . A A . 18 VAL HG13 1 1 22 7326 1 1 19 VAL HG21 H 8.704 -0.686 3.088 1.00 . A A . 18 VAL HG21 1 1 22 7327 1 1 19 VAL HG22 H 8.822 -0.189 4.798 1.00 . A A . 18 VAL HG22 1 1 22 7328 1 1 19 VAL HG23 H 10.178 -1.007 4.004 1.00 . A A . 18 VAL HG23 1 1 22 7329 1 1 19 VAL N N 9.781 1.453 0.866 1.00 . A A . 18 VAL N 1 1 22 7330 1 1 19 VAL O O 12.823 0.044 1.824 1.00 . A A . 18 VAL O 1 1 22 7331 1 1 20 LYS C C 12.667 -2.227 -0.353 1.00 . A A . 19 LYS C 1 1 22 7332 1 1 20 LYS CA C 11.707 -2.420 0.887 1.00 . A A . 19 LYS CA 1 1 22 7333 1 1 20 LYS CB C 10.635 -3.524 0.666 1.00 . A A . 19 LYS CB 1 1 22 7334 1 1 20 LYS CD C 10.028 -6.015 0.480 1.00 . A A . 19 LYS CD 1 1 22 7335 1 1 20 LYS CE C 10.494 -7.484 0.438 1.00 . A A . 19 LYS CE 1 1 22 7336 1 1 20 LYS CG C 11.165 -4.972 0.575 1.00 . A A . 19 LYS CG 1 1 22 7337 1 1 20 LYS H H 9.962 -1.110 1.364 1.00 . A A . 19 LYS H 1 1 22 7338 1 1 20 LYS HA H 12.317 -2.715 1.757 1.00 . A A . 19 LYS HA 1 1 22 7339 1 1 20 LYS HB2 H 9.909 -3.500 1.503 1.00 . A A . 19 LYS HB2 1 1 22 7340 1 1 20 LYS HB3 H 10.040 -3.292 -0.239 1.00 . A A . 19 LYS HB3 1 1 22 7341 1 1 20 LYS HD2 H 9.364 -5.896 1.357 1.00 . A A . 19 LYS HD2 1 1 22 7342 1 1 20 LYS HD3 H 9.386 -5.800 -0.396 1.00 . A A . 19 LYS HD3 1 1 22 7343 1 1 20 LYS HE2 H 11.170 -7.700 1.286 1.00 . A A . 19 LYS HE2 1 1 22 7344 1 1 20 LYS HE3 H 9.620 -8.146 0.579 1.00 . A A . 19 LYS HE3 1 1 22 7345 1 1 20 LYS HG2 H 11.832 -5.071 -0.301 1.00 . A A . 19 LYS HG2 1 1 22 7346 1 1 20 LYS HG3 H 11.793 -5.191 1.460 1.00 . A A . 19 LYS HG3 1 1 22 7347 1 1 20 LYS HZ1 H 11.403 -8.848 -0.820 1.00 . A A . 19 LYS HZ1 1 1 22 7348 1 1 20 LYS HZ3 H 10.508 -7.734 -1.613 1.00 . A A . 19 LYS HZ3 1 1 22 7349 1 1 20 LYS N N 10.984 -1.182 1.285 1.00 . A A . 19 LYS N 1 1 22 7350 1 1 20 LYS NZ N 11.158 -7.852 -0.828 1.00 . A A . 19 LYS NZ 1 1 22 7351 1 1 20 LYS O O 13.544 -3.064 -0.581 1.00 . A A . 19 LYS O 1 1 22 7352 1 1 21 GLU C C 14.573 0.058 -1.860 1.00 . A A . 20 GLU C 1 1 22 7353 1 1 21 GLU CA C 13.333 -0.760 -2.283 1.00 . A A . 20 GLU CA 1 1 22 7354 1 1 21 GLU CB C 12.421 -0.116 -3.347 1.00 . A A . 20 GLU CB 1 1 22 7355 1 1 21 GLU CD C 13.549 -0.920 -5.531 1.00 . A A . 20 GLU CD 1 1 22 7356 1 1 21 GLU CG C 13.064 0.269 -4.693 1.00 . A A . 20 GLU CG 1 1 22 7357 1 1 21 GLU H H 11.907 -0.402 -0.701 1.00 . A A . 20 GLU H 1 1 22 7358 1 1 21 GLU HA H 13.691 -1.669 -2.711 1.00 . A A . 20 GLU HA 1 1 22 7359 1 1 21 GLU HB2 H 11.557 -0.780 -3.534 1.00 . A A . 20 GLU HB2 1 1 22 7360 1 1 21 GLU HB3 H 11.988 0.785 -2.899 1.00 . A A . 20 GLU HB3 1 1 22 7361 1 1 21 GLU HE2 H 15.267 -0.609 -4.668 1.00 . A A . 20 GLU HE2 1 1 22 7362 1 1 21 GLU HG2 H 12.319 0.834 -5.281 1.00 . A A . 20 GLU HG2 1 1 22 7363 1 1 21 GLU HG3 H 13.894 0.978 -4.518 1.00 . A A . 20 GLU HG3 1 1 22 7364 1 1 21 GLU N N 12.501 -1.124 -1.124 1.00 . A A . 20 GLU N 1 1 22 7365 1 1 21 GLU O O 15.713 -0.379 -2.017 1.00 . A A . 20 GLU O 1 1 22 7366 1 1 21 GLU OE1 O 12.825 -1.540 -6.309 1.00 . A A . 20 GLU OE1 1 1 22 7367 1 1 21 GLU OE2 O 14.873 -1.205 -5.310 1.00 . A A . 20 GLU OE2 1 1 22 7368 1 1 22 NH2 HN1 H 13.550 1.682 -1.608 1.00 . A A . 21 NH2 HN1 1 1 22 7369 1 1 22 NH2 HN2 H 14.400 0.950 -0.242 1.00 . A A . 21 NH2 HN2 1 1 22 7370 1 1 22 NH2 N N 14.376 1.201 -1.233 1.00 . A A . 21 NH2 N 1 1 23 7371 1 1 2 GLU C C -13.179 -2.759 -1.664 1.00 . A A . 1 ACE C 1 1 23 7372 1 1 2 GLU CA C -14.080 -0.477 -1.275 1.00 . A A . 1 ACE CA 1 1 23 7373 1 1 2 GLU CB C -15.429 -0.003 -0.633 1.00 . A A . 1 ACE CB 1 1 23 7374 1 1 2 GLU CD C -17.064 -0.718 -2.517 1.00 . A A . 1 ACE CD 1 1 23 7375 1 1 2 GLU CG C -16.745 -0.680 -1.018 1.00 . A A . 1 ACE CG 1 1 23 7376 1 1 2 GLU H H -14.698 -2.380 -0.464 1.00 . A A . 1 ACE H 1 1 23 7377 1 1 2 GLU HA H -14.241 -0.370 -2.360 1.00 . A A . 1 ACE HA 1 1 23 7378 1 1 2 GLU HB2 H -15.334 -0.031 0.470 1.00 . A A . 1 ACE HB2 1 1 23 7379 1 1 2 GLU HB3 H -15.570 1.060 -0.878 1.00 . A A . 1 ACE HB3 1 1 23 7380 1 1 2 GLU HE2 H -17.747 1.084 -2.247 1.00 . A A . 1 ACE HE2 1 1 23 7381 1 1 2 GLU HG2 H -16.725 -1.698 -0.603 1.00 . A A . 1 ACE HG2 1 1 23 7382 1 1 2 GLU HG3 H -17.537 -0.126 -0.484 1.00 . A A . 1 ACE HG3 1 1 23 7383 1 1 2 GLU N N -13.913 -1.911 -0.925 1.00 . A A . 1 ACE N 1 1 23 7384 1 1 2 GLU O O -12.434 -2.413 -2.583 1.00 . A A . 1 ACE O 1 1 23 7385 1 1 2 GLU OE1 O -16.821 -1.688 -3.235 1.00 . A A . 1 ACE OE1 1 1 23 7386 1 1 2 GLU OE2 O -17.641 0.446 -2.956 1.00 . A A . 1 ACE OE2 1 1 23 7387 1 1 3 SER C C -11.038 2.133 0.966 1.00 . A A . 2 SER C 1 1 23 7388 1 1 3 SER CA C -12.075 2.629 -0.057 1.00 . A A . 2 SER CA 1 1 23 7389 1 1 3 SER CB C -12.795 3.889 0.435 1.00 . A A . 2 SER CB 1 1 23 7390 1 1 3 SER H H -14.112 1.789 -0.469 1.00 . A A . 2 SER H 1 1 23 7391 1 1 3 SER HA H -11.555 2.934 -0.964 1.00 . A A . 2 SER HA 1 1 23 7392 1 1 3 SER HB2 H -13.663 4.126 -0.196 1.00 . A A . 2 SER HB2 1 1 23 7393 1 1 3 SER HB3 H -13.208 3.687 1.424 1.00 . A A . 2 SER HB3 1 1 23 7394 1 1 3 SER HG H -11.208 4.758 1.090 1.00 . A A . 2 SER HG 1 1 23 7395 1 1 3 SER N N -13.098 1.624 -0.450 1.00 . A A . 2 SER N 1 1 23 7396 1 1 3 SER O O -9.842 2.365 0.793 1.00 . A A . 2 SER O 1 1 23 7397 1 1 3 SER OG O -11.917 5.008 0.492 1.00 . A A . 2 SER OG 1 1 23 7398 1 1 4 ALA C C -9.929 -0.491 2.767 1.00 . A A . 3 ALA C 1 1 23 7399 1 1 4 ALA CA C -10.650 0.868 3.068 1.00 . A A . 3 ALA CA 1 1 23 7400 1 1 4 ALA CB C -11.438 0.811 4.373 1.00 . A A . 3 ALA CB 1 1 23 7401 1 1 4 ALA H H -12.553 1.454 2.001 1.00 . A A . 3 ALA H 1 1 23 7402 1 1 4 ALA HA H -9.806 1.566 3.135 1.00 . A A . 3 ALA HA 1 1 23 7403 1 1 4 ALA HB1 H -10.788 0.491 5.206 1.00 . A A . 3 ALA HB1 1 1 23 7404 1 1 4 ALA HB2 H -12.271 0.087 4.290 1.00 . A A . 3 ALA HB2 1 1 23 7405 1 1 4 ALA HB3 H -11.859 1.798 4.631 1.00 . A A . 3 ALA HB3 1 1 23 7406 1 1 4 ALA N N -11.529 1.465 2.023 1.00 . A A . 3 ALA N 1 1 23 7407 1 1 4 ALA O O -9.375 -1.171 3.635 1.00 . A A . 3 ALA O 1 1 23 7408 1 1 5 LYS C C -8.894 -1.622 -0.663 1.00 . A A . 4 LYS C 1 1 23 7409 1 1 5 LYS CA C -9.355 -1.982 0.813 1.00 . A A . 4 LYS CA 1 1 23 7410 1 1 5 LYS CB C -10.258 -3.239 0.896 1.00 . A A . 4 LYS CB 1 1 23 7411 1 1 5 LYS CD C -8.559 -5.089 0.153 1.00 . A A . 4 LYS CD 1 1 23 7412 1 1 5 LYS CE C -7.934 -6.466 0.449 1.00 . A A . 4 LYS CE 1 1 23 7413 1 1 5 LYS CG C -9.544 -4.569 1.225 1.00 . A A . 4 LYS CG 1 1 23 7414 1 1 5 LYS H H -10.535 -0.130 0.994 1.00 . A A . 4 LYS H 1 1 23 7415 1 1 5 LYS HA H -8.406 -2.103 1.363 1.00 . A A . 4 LYS HA 1 1 23 7416 1 1 5 LYS HB2 H -11.032 -3.087 1.671 1.00 . A A . 4 LYS HB2 1 1 23 7417 1 1 5 LYS HB3 H -10.833 -3.328 -0.043 1.00 . A A . 4 LYS HB3 1 1 23 7418 1 1 5 LYS HD2 H -9.093 -5.156 -0.813 1.00 . A A . 4 LYS HD2 1 1 23 7419 1 1 5 LYS HD3 H -7.753 -4.350 -0.012 1.00 . A A . 4 LYS HD3 1 1 23 7420 1 1 5 LYS HE2 H -8.722 -7.211 0.668 1.00 . A A . 4 LYS HE2 1 1 23 7421 1 1 5 LYS HE3 H -7.420 -6.834 -0.458 1.00 . A A . 4 LYS HE3 1 1 23 7422 1 1 5 LYS HG2 H -9.021 -4.466 2.195 1.00 . A A . 4 LYS HG2 1 1 23 7423 1 1 5 LYS HG3 H -10.319 -5.340 1.396 1.00 . A A . 4 LYS HG3 1 1 23 7424 1 1 5 LYS HZ1 H -6.590 -7.381 1.724 1.00 . A A . 4 LYS HZ1 1 1 23 7425 1 1 5 LYS HZ3 H -7.426 -6.166 2.429 1.00 . A A . 4 LYS HZ3 1 1 23 7426 1 1 5 LYS N N -9.975 -0.822 1.487 1.00 . A A . 4 LYS N 1 1 23 7427 1 1 5 LYS NZ N -6.960 -6.438 1.557 1.00 . A A . 4 LYS NZ 1 1 23 7428 1 1 5 LYS O O -8.778 -2.468 -1.552 1.00 . A A . 4 LYS O 1 1 23 7429 1 1 6 HIS C C -7.022 1.289 -1.605 1.00 . A A . 5 HIS C 1 1 23 7430 1 1 6 HIS CA C -8.155 0.338 -2.097 1.00 . A A . 5 HIS CA 1 1 23 7431 1 1 6 HIS CB C -9.266 0.994 -2.946 1.00 . A A . 5 HIS CB 1 1 23 7432 1 1 6 HIS CD2 C -8.130 0.718 -5.259 1.00 . A A . 5 HIS CD2 1 1 23 7433 1 1 6 HIS CE1 C -8.141 2.726 -5.882 1.00 . A A . 5 HIS CE1 1 1 23 7434 1 1 6 HIS CG C -8.742 1.516 -4.278 1.00 . A A . 5 HIS CG 1 1 23 7435 1 1 6 HIS H H -9.237 0.204 -0.209 1.00 . A A . 5 HIS H 1 1 23 7436 1 1 6 HIS HA H -7.634 -0.436 -2.666 1.00 . A A . 5 HIS HA 1 1 23 7437 1 1 6 HIS HB2 H -10.061 0.254 -3.155 1.00 . A A . 5 HIS HB2 1 1 23 7438 1 1 6 HIS HB3 H -9.762 1.803 -2.375 1.00 . A A . 5 HIS HB3 1 1 23 7439 1 1 6 HIS HD2 H -7.977 -0.350 -5.190 1.00 . A A . 5 HIS HD2 1 1 23 7440 1 1 6 HIS HE1 H -7.974 3.601 -6.493 1.00 . A A . 5 HIS HE1 1 1 23 7441 1 1 6 HIS HE2 H -7.256 1.233 -7.195 1.00 . A A . 5 HIS HE2 1 1 23 7442 1 1 6 HIS N N -8.653 -0.321 -0.873 1.00 . A A . 5 HIS N 1 1 23 7443 1 1 6 HIS ND1 N -8.757 2.852 -4.662 1.00 . A A . 5 HIS ND1 1 1 23 7444 1 1 6 HIS NE2 N -7.735 1.496 -6.327 1.00 . A A . 5 HIS NE2 1 1 23 7445 1 1 6 HIS O O -5.947 1.289 -2.209 1.00 . A A . 5 HIS O 1 1 23 7446 1 1 7 MET C C -5.332 2.071 0.860 1.00 . A A . 6 MET C 1 1 23 7447 1 1 7 MET CA C -6.252 3.014 0.051 1.00 . A A . 6 MET CA 1 1 23 7448 1 1 7 MET CB C -6.863 4.171 0.887 1.00 . A A . 6 MET CB 1 1 23 7449 1 1 7 MET CE C -8.687 6.778 2.206 1.00 . A A . 6 MET CE 1 1 23 7450 1 1 7 MET CG C -8.013 4.933 0.204 1.00 . A A . 6 MET CG 1 1 23 7451 1 1 7 MET H H -8.120 1.968 -0.035 1.00 . A A . 6 MET H 1 1 23 7452 1 1 7 MET HA H -5.625 3.400 -0.756 1.00 . A A . 6 MET HA 1 1 23 7453 1 1 7 MET HB2 H -7.229 3.798 1.863 1.00 . A A . 6 MET HB2 1 1 23 7454 1 1 7 MET HB3 H -6.055 4.882 1.139 1.00 . A A . 6 MET HB3 1 1 23 7455 1 1 7 MET HE1 H -9.720 6.385 2.186 1.00 . A A . 6 MET HE1 1 1 23 7456 1 1 7 MET HE2 H -8.724 7.820 2.570 1.00 . A A . 6 MET HE2 1 1 23 7457 1 1 7 MET HE3 H -8.103 6.183 2.932 1.00 . A A . 6 MET HE3 1 1 23 7458 1 1 7 MET HG2 H -7.977 4.760 -0.886 1.00 . A A . 6 MET HG2 1 1 23 7459 1 1 7 MET HG3 H -8.992 4.528 0.522 1.00 . A A . 6 MET HG3 1 1 23 7460 1 1 7 MET N N -7.260 2.123 -0.558 1.00 . A A . 6 MET N 1 1 23 7461 1 1 7 MET O O -4.133 2.118 0.627 1.00 . A A . 6 MET O 1 1 23 7462 1 1 7 MET SD S -7.939 6.709 0.564 1.00 . A A . 6 MET SD 1 1 23 7463 1 1 8 PHE C C -4.372 -0.814 1.599 1.00 . A A . 7 PHE C 1 1 23 7464 1 1 8 PHE CA C -5.081 0.217 2.529 1.00 . A A . 7 PHE CA 1 1 23 7465 1 1 8 PHE CB C -6.028 -0.490 3.523 1.00 . A A . 7 PHE CB 1 1 23 7466 1 1 8 PHE CD1 C -5.329 -0.020 5.918 1.00 . A A . 7 PHE CD1 1 1 23 7467 1 1 8 PHE CD2 C -7.220 1.182 5.015 1.00 . A A . 7 PHE CD2 1 1 23 7468 1 1 8 PHE CE1 C -5.471 0.664 7.121 1.00 . A A . 7 PHE CE1 1 1 23 7469 1 1 8 PHE CE2 C -7.362 1.864 6.218 1.00 . A A . 7 PHE CE2 1 1 23 7470 1 1 8 PHE CG C -6.202 0.236 4.858 1.00 . A A . 7 PHE CG 1 1 23 7471 1 1 8 PHE CZ C -6.488 1.607 7.273 1.00 . A A . 7 PHE CZ 1 1 23 7472 1 1 8 PHE H H -6.881 1.133 1.723 1.00 . A A . 7 PHE H 1 1 23 7473 1 1 8 PHE HA H -4.299 0.767 3.057 1.00 . A A . 7 PHE HA 1 1 23 7474 1 1 8 PHE HB2 H -7.000 -0.591 3.034 1.00 . A A . 7 PHE HB2 1 1 23 7475 1 1 8 PHE HB3 H -5.736 -1.543 3.695 1.00 . A A . 7 PHE HB3 1 1 23 7476 1 1 8 PHE HD1 H -4.531 -0.742 5.811 1.00 . A A . 7 PHE HD1 1 1 23 7477 1 1 8 PHE HD2 H -7.895 1.403 4.202 1.00 . A A . 7 PHE HD2 1 1 23 7478 1 1 8 PHE HE1 H -4.780 0.459 7.922 1.00 . A A . 7 PHE HE1 1 1 23 7479 1 1 8 PHE HE2 H -8.149 2.597 6.309 1.00 . A A . 7 PHE HE2 1 1 23 7480 1 1 8 PHE HZ H -6.595 2.141 8.206 1.00 . A A . 7 PHE HZ 1 1 23 7481 1 1 8 PHE N N -5.866 1.212 1.759 1.00 . A A . 7 PHE N 1 1 23 7482 1 1 8 PHE O O -3.274 -1.260 1.936 1.00 . A A . 7 PHE O 1 1 23 7483 1 1 9 ASP C C -3.125 -1.446 -1.167 1.00 . A A . 8 ASP C 1 1 23 7484 1 1 9 ASP CA C -4.384 -2.124 -0.539 1.00 . A A . 8 ASP CA 1 1 23 7485 1 1 9 ASP CB C -5.438 -2.479 -1.612 1.00 . A A . 8 ASP CB 1 1 23 7486 1 1 9 ASP CG C -5.106 -3.702 -2.474 1.00 . A A . 8 ASP CG 1 1 23 7487 1 1 9 ASP H H -5.994 -0.925 0.457 1.00 . A A . 8 ASP H 1 1 23 7488 1 1 9 ASP HA H -4.134 -3.073 -0.024 1.00 . A A . 8 ASP HA 1 1 23 7489 1 1 9 ASP HB2 H -6.386 -2.681 -1.104 1.00 . A A . 8 ASP HB2 1 1 23 7490 1 1 9 ASP HB3 H -5.653 -1.607 -2.258 1.00 . A A . 8 ASP HB3 1 1 23 7491 1 1 9 ASP HD2 H -4.201 -4.135 -4.142 1.00 . A A . 8 ASP HD2 1 1 23 7492 1 1 9 ASP N N -4.998 -1.194 0.457 1.00 . A A . 8 ASP N 1 1 23 7493 1 1 9 ASP O O -2.061 -2.068 -1.232 1.00 . A A . 8 ASP O 1 1 23 7494 1 1 9 ASP OD1 O -5.435 -4.850 -2.175 1.00 . A A . 8 ASP OD1 1 1 23 7495 1 1 9 ASP OD2 O -4.407 -3.367 -3.605 1.00 . A A . 8 ASP OD2 1 1 23 7496 1 1 10 ARG C C -1.105 0.907 -1.093 1.00 . A A . 9 ARG C 1 1 23 7497 1 1 10 ARG CA C -2.175 0.649 -2.174 1.00 . A A . 9 ARG CA 1 1 23 7498 1 1 10 ARG CB C -2.678 1.967 -2.803 1.00 . A A . 9 ARG CB 1 1 23 7499 1 1 10 ARG CD C -3.920 3.111 -4.747 1.00 . A A . 9 ARG CD 1 1 23 7500 1 1 10 ARG CG C -3.348 1.795 -4.185 1.00 . A A . 9 ARG CG 1 1 23 7501 1 1 10 ARG CZ C -4.850 3.931 -6.925 1.00 . A A . 9 ARG CZ 1 1 23 7502 1 1 10 ARG H H -4.239 0.189 -1.506 1.00 . A A . 9 ARG H 1 1 23 7503 1 1 10 ARG HA H -1.687 0.033 -2.929 1.00 . A A . 9 ARG HA 1 1 23 7504 1 1 10 ARG HB2 H -3.362 2.483 -2.101 1.00 . A A . 9 ARG HB2 1 1 23 7505 1 1 10 ARG HB3 H -1.818 2.654 -2.922 1.00 . A A . 9 ARG HB3 1 1 23 7506 1 1 10 ARG HD2 H -4.758 3.461 -4.113 1.00 . A A . 9 ARG HD2 1 1 23 7507 1 1 10 ARG HD3 H -3.147 3.903 -4.709 1.00 . A A . 9 ARG HD3 1 1 23 7508 1 1 10 ARG HG2 H -2.601 1.376 -4.887 1.00 . A A . 9 ARG HG2 1 1 23 7509 1 1 10 ARG HG3 H -4.155 1.041 -4.123 1.00 . A A . 9 ARG HG3 1 1 23 7510 1 1 10 ARG HH11 H -4.686 5.403 -5.563 1.00 . A A . 9 ARG HH11 1 1 23 7511 1 1 10 ARG HH12 H -5.343 5.861 -7.214 1.00 . A A . 9 ARG HH12 1 1 23 7512 1 1 10 ARG HH21 H -5.109 2.653 -8.445 1.00 . A A . 9 ARG HH21 1 1 23 7513 1 1 10 ARG HH22 H -5.565 4.406 -8.734 1.00 . A A . 9 ARG HH22 1 1 23 7514 1 1 10 ARG N N -3.277 -0.168 -1.609 1.00 . A A . 9 ARG N 1 1 23 7515 1 1 10 ARG NE N -4.382 2.937 -6.145 1.00 . A A . 9 ARG NE 1 1 23 7516 1 1 10 ARG NH1 N -4.972 5.196 -6.526 1.00 . A A . 9 ARG NH1 1 1 23 7517 1 1 10 ARG NH2 N -5.211 3.633 -8.160 1.00 . A A . 9 ARG NH2 1 1 23 7518 1 1 10 ARG O O 0.038 0.494 -1.282 1.00 . A A . 9 ARG O 1 1 23 7519 1 1 11 ILE C C 0.290 0.535 1.615 1.00 . A A . 10 ILE C 1 1 23 7520 1 1 11 ILE CA C -0.562 1.787 1.210 1.00 . A A . 10 ILE CA 1 1 23 7521 1 1 11 ILE CB C -1.473 2.381 2.328 1.00 . A A . 10 ILE CB 1 1 23 7522 1 1 11 ILE CD1 C -3.114 4.351 2.734 1.00 . A A . 10 ILE CD1 1 1 23 7523 1 1 11 ILE CG1 C -1.895 3.833 1.975 1.00 . A A . 10 ILE CG1 1 1 23 7524 1 1 11 ILE CG2 C -0.951 2.280 3.771 1.00 . A A . 10 ILE CG2 1 1 23 7525 1 1 11 ILE H H -2.469 1.795 0.137 1.00 . A A . 10 ILE H 1 1 23 7526 1 1 11 ILE HA H 0.139 2.562 0.890 1.00 . A A . 10 ILE HA 1 1 23 7527 1 1 11 ILE HB H -2.369 1.756 2.336 1.00 . A A . 10 ILE HB 1 1 23 7528 1 1 11 ILE HD11 H -3.481 5.282 2.271 1.00 . A A . 10 ILE HD11 1 1 23 7529 1 1 11 ILE HD12 H -2.876 4.540 3.791 1.00 . A A . 10 ILE HD12 1 1 23 7530 1 1 11 ILE HD13 H -3.938 3.616 2.699 1.00 . A A . 10 ILE HD13 1 1 23 7531 1 1 11 ILE HG12 H -1.033 4.509 2.084 1.00 . A A . 10 ILE HG12 1 1 23 7532 1 1 11 ILE HG13 H -2.164 3.885 0.907 1.00 . A A . 10 ILE HG13 1 1 23 7533 1 1 11 ILE HG21 H -0.010 2.837 3.902 1.00 . A A . 10 ILE HG21 1 1 23 7534 1 1 11 ILE HG22 H -0.780 1.223 4.045 1.00 . A A . 10 ILE HG22 1 1 23 7535 1 1 11 ILE HG23 H -1.700 2.658 4.489 1.00 . A A . 10 ILE HG23 1 1 23 7536 1 1 11 ILE N N -1.472 1.525 0.046 1.00 . A A . 10 ILE N 1 1 23 7537 1 1 11 ILE O O 1.491 0.654 1.874 1.00 . A A . 10 ILE O 1 1 23 7538 1 1 12 GLY C C 1.415 -2.380 0.996 1.00 . A A . 11 GLY C 1 1 23 7539 1 1 12 GLY CA C 0.261 -1.943 1.938 1.00 . A A . 11 GLY CA 1 1 23 7540 1 1 12 GLY H H -1.379 -0.518 1.489 1.00 . A A . 11 GLY H 1 1 23 7541 1 1 12 GLY HA2 H 0.639 -1.894 2.971 1.00 . A A . 11 GLY HA2 1 1 23 7542 1 1 12 GLY HA3 H -0.519 -2.715 1.879 1.00 . A A . 11 GLY HA3 1 1 23 7543 1 1 12 GLY N N -0.372 -0.639 1.646 1.00 . A A . 11 GLY N 1 1 23 7544 1 1 12 GLY O O 2.210 -3.239 1.378 1.00 . A A . 11 GLY O 1 1 23 7545 1 1 13 LYS C C 2.770 -0.796 -2.097 1.00 . A A . 12 LYS C 1 1 23 7546 1 1 13 LYS CA C 2.471 -2.099 -1.266 1.00 . A A . 12 LYS CA 1 1 23 7547 1 1 13 LYS CB C 2.179 -3.389 -2.086 1.00 . A A . 12 LYS CB 1 1 23 7548 1 1 13 LYS CD C 3.091 -5.266 -3.602 1.00 . A A . 12 LYS CD 1 1 23 7549 1 1 13 LYS CE C 4.289 -5.861 -4.370 1.00 . A A . 12 LYS CE 1 1 23 7550 1 1 13 LYS CG C 3.392 -3.944 -2.864 1.00 . A A . 12 LYS CG 1 1 23 7551 1 1 13 LYS H H 0.569 -1.333 -0.452 1.00 . A A . 12 LYS H 1 1 23 7552 1 1 13 LYS HA H 3.412 -2.213 -0.701 1.00 . A A . 12 LYS HA 1 1 23 7553 1 1 13 LYS HB2 H 1.826 -4.187 -1.404 1.00 . A A . 12 LYS HB2 1 1 23 7554 1 1 13 LYS HB3 H 1.336 -3.207 -2.780 1.00 . A A . 12 LYS HB3 1 1 23 7555 1 1 13 LYS HD2 H 2.753 -6.016 -2.862 1.00 . A A . 12 LYS HD2 1 1 23 7556 1 1 13 LYS HD3 H 2.234 -5.133 -4.289 1.00 . A A . 12 LYS HD3 1 1 23 7557 1 1 13 LYS HE2 H 5.166 -5.960 -3.704 1.00 . A A . 12 LYS HE2 1 1 23 7558 1 1 13 LYS HE3 H 4.041 -6.890 -4.690 1.00 . A A . 12 LYS HE3 1 1 23 7559 1 1 13 LYS HG2 H 3.735 -3.195 -3.599 1.00 . A A . 12 LYS HG2 1 1 23 7560 1 1 13 LYS HG3 H 4.239 -4.096 -2.169 1.00 . A A . 12 LYS HG3 1 1 23 7561 1 1 13 LYS HZ1 H 5.433 -5.546 -6.062 1.00 . A A . 12 LYS HZ1 1 1 23 7562 1 1 13 LYS HZ3 H 3.883 -5.055 -6.229 1.00 . A A . 12 LYS HZ3 1 1 23 7563 1 1 13 LYS N N 1.421 -1.863 -0.247 1.00 . A A . 12 LYS N 1 1 23 7564 1 1 13 LYS NZ N 4.665 -5.081 -5.566 1.00 . A A . 12 LYS NZ 1 1 23 7565 1 1 13 LYS O O 2.862 -0.801 -3.327 1.00 . A A . 12 LYS O 1 1 23 7566 1 1 14 ASP C C 4.348 2.124 -0.874 1.00 . A A . 13 ASP C 1 1 23 7567 1 1 14 ASP CA C 3.308 1.665 -1.879 1.00 . A A . 13 ASP CA 1 1 23 7568 1 1 14 ASP CB C 2.128 2.615 -2.073 1.00 . A A . 13 ASP CB 1 1 23 7569 1 1 14 ASP CG C 2.410 3.822 -2.976 1.00 . A A . 13 ASP CG 1 1 23 7570 1 1 14 ASP H H 2.555 0.287 -0.420 1.00 . A A . 13 ASP H 1 1 23 7571 1 1 14 ASP HA H 3.874 1.550 -2.789 1.00 . A A . 13 ASP HA 1 1 23 7572 1 1 14 ASP HB2 H 1.281 2.041 -2.450 1.00 . A A . 13 ASP HB2 1 1 23 7573 1 1 14 ASP HB3 H 1.805 2.944 -1.085 1.00 . A A . 13 ASP HB3 1 1 23 7574 1 1 14 ASP HD2 H 3.094 5.640 -2.845 1.00 . A A . 13 ASP HD2 1 1 23 7575 1 1 14 ASP N N 2.958 0.321 -1.365 1.00 . A A . 13 ASP N 1 1 23 7576 1 1 14 ASP O O 5.478 2.366 -1.294 1.00 . A A . 13 ASP O 1 1 23 7577 1 1 14 ASP OD1 O 2.206 3.822 -4.189 1.00 . A A . 13 ASP OD1 1 1 23 7578 1 1 14 ASP OD2 O 2.917 4.887 -2.276 1.00 . A A . 13 ASP OD2 1 1 23 7579 1 1 15 VAL C C 5.294 1.463 2.354 1.00 . A A . 14 VAL C 1 1 23 7580 1 1 15 VAL CA C 4.968 2.706 1.444 1.00 . A A . 14 VAL CA 1 1 23 7581 1 1 15 VAL CB C 4.689 4.036 2.152 1.00 . A A . 14 VAL CB 1 1 23 7582 1 1 15 VAL CG1 C 4.652 5.177 1.123 1.00 . A A . 14 VAL CG1 1 1 23 7583 1 1 15 VAL CG2 C 3.417 4.000 3.018 1.00 . A A . 14 VAL CG2 1 1 23 7584 1 1 15 VAL H H 3.054 1.963 0.643 1.00 . A A . 14 VAL H 1 1 23 7585 1 1 15 VAL HA H 5.926 2.847 0.915 1.00 . A A . 14 VAL HA 1 1 23 7586 1 1 15 VAL HB H 5.578 4.202 2.783 1.00 . A A . 14 VAL HB 1 1 23 7587 1 1 15 VAL HG11 H 5.564 5.153 0.496 1.00 . A A . 14 VAL HG11 1 1 23 7588 1 1 15 VAL HG12 H 4.586 6.158 1.612 1.00 . A A . 14 VAL HG12 1 1 23 7589 1 1 15 VAL HG13 H 3.791 5.060 0.437 1.00 . A A . 14 VAL HG13 1 1 23 7590 1 1 15 VAL HG21 H 3.260 4.955 3.543 1.00 . A A . 14 VAL HG21 1 1 23 7591 1 1 15 VAL HG22 H 2.523 3.786 2.401 1.00 . A A . 14 VAL HG22 1 1 23 7592 1 1 15 VAL HG23 H 3.477 3.202 3.780 1.00 . A A . 14 VAL HG23 1 1 23 7593 1 1 15 VAL N N 3.966 2.344 0.404 1.00 . A A . 14 VAL N 1 1 23 7594 1 1 15 VAL O O 5.326 1.433 3.586 1.00 . A A . 14 VAL O 1 1 23 7595 1 1 16 TYR C C 6.909 -1.216 0.587 1.00 . A A . 15 TYR C 1 1 23 7596 1 1 16 TYR CA C 6.012 -0.908 1.829 1.00 . A A . 15 TYR CA 1 1 23 7597 1 1 16 TYR CB C 4.879 -1.912 2.104 1.00 . A A . 15 TYR CB 1 1 23 7598 1 1 16 TYR CD1 C 5.991 -3.721 3.506 1.00 . A A . 15 TYR CD1 1 1 23 7599 1 1 16 TYR CD2 C 5.388 -4.250 1.227 1.00 . A A . 15 TYR CD2 1 1 23 7600 1 1 16 TYR CE1 C 6.593 -4.970 3.636 1.00 . A A . 15 TYR CE1 1 1 23 7601 1 1 16 TYR CE2 C 5.993 -5.497 1.358 1.00 . A A . 15 TYR CE2 1 1 23 7602 1 1 16 TYR CG C 5.386 -3.352 2.301 1.00 . A A . 15 TYR CG 1 1 23 7603 1 1 16 TYR CZ C 6.596 -5.858 2.562 1.00 . A A . 15 TYR CZ 1 1 23 7604 1 1 16 TYR H H 5.159 0.741 0.629 1.00 . A A . 15 TYR H 1 1 23 7605 1 1 16 TYR HA H 6.663 -0.845 2.710 1.00 . A A . 15 TYR HA 1 1 23 7606 1 1 16 TYR HB2 H 4.298 -1.592 2.991 1.00 . A A . 15 TYR HB2 1 1 23 7607 1 1 16 TYR HB3 H 4.170 -1.853 1.267 1.00 . A A . 15 TYR HB3 1 1 23 7608 1 1 16 TYR HD1 H 6.044 -3.019 4.325 1.00 . A A . 15 TYR HD1 1 1 23 7609 1 1 16 TYR HD2 H 4.974 -3.965 0.268 1.00 . A A . 15 TYR HD2 1 1 23 7610 1 1 16 TYR HE1 H 7.082 -5.224 4.565 1.00 . A A . 15 TYR HE1 1 1 23 7611 1 1 16 TYR HE2 H 6.017 -6.165 0.511 1.00 . A A . 15 TYR HE2 1 1 23 7612 1 1 16 TYR HH H 7.135 -7.550 1.849 1.00 . A A . 15 TYR HH 1 1 23 7613 1 1 16 TYR N N 5.584 0.462 1.544 1.00 . A A . 15 TYR N 1 1 23 7614 1 1 16 TYR O O 7.992 -1.763 0.790 1.00 . A A . 15 TYR O 1 1 23 7615 1 1 16 TYR OH O 7.219 -7.075 2.679 1.00 . A A . 15 TYR OH 1 1 23 7616 1 1 17 ASP C C 8.413 -0.066 -1.906 1.00 . A A . 16 ASP C 1 1 23 7617 1 1 17 ASP CA C 7.298 -1.159 -1.884 1.00 . A A . 16 ASP CA 1 1 23 7618 1 1 17 ASP CB C 6.443 -1.291 -3.152 1.00 . A A . 16 ASP CB 1 1 23 7619 1 1 17 ASP CG C 7.190 -1.792 -4.394 1.00 . A A . 16 ASP CG 1 1 23 7620 1 1 17 ASP H H 5.605 -0.381 -0.693 1.00 . A A . 16 ASP H 1 1 23 7621 1 1 17 ASP HA H 7.819 -2.092 -1.728 1.00 . A A . 16 ASP HA 1 1 23 7622 1 1 17 ASP HB2 H 5.582 -1.958 -2.970 1.00 . A A . 16 ASP HB2 1 1 23 7623 1 1 17 ASP HB3 H 6.016 -0.307 -3.351 1.00 . A A . 16 ASP HB3 1 1 23 7624 1 1 17 ASP HD2 H 6.873 -3.566 -3.659 1.00 . A A . 16 ASP HD2 1 1 23 7625 1 1 17 ASP N N 6.459 -0.957 -0.679 1.00 . A A . 16 ASP N 1 1 23 7626 1 1 17 ASP O O 9.566 -0.411 -2.179 1.00 . A A . 16 ASP O 1 1 23 7627 1 1 17 ASP OD1 O 7.646 -1.044 -5.258 1.00 . A A . 16 ASP OD1 1 1 23 7628 1 1 17 ASP OD2 O 7.290 -3.159 -4.422 1.00 . A A . 16 ASP OD2 1 1 23 7629 1 1 18 LYS C C 9.976 2.169 -0.243 1.00 . A A . 17 LYS C 1 1 23 7630 1 1 18 LYS CA C 9.096 2.311 -1.557 1.00 . A A . 17 LYS CA 1 1 23 7631 1 1 18 LYS CB C 8.406 3.703 -1.598 1.00 . A A . 17 LYS CB 1 1 23 7632 1 1 18 LYS CD C 6.830 5.330 -2.823 1.00 . A A . 17 LYS CD 1 1 23 7633 1 1 18 LYS CE C 6.068 5.635 -4.125 1.00 . A A . 17 LYS CE 1 1 23 7634 1 1 18 LYS CG C 7.696 4.059 -2.927 1.00 . A A . 17 LYS CG 1 1 23 7635 1 1 18 LYS H H 7.140 1.398 -1.268 1.00 . A A . 17 LYS H 1 1 23 7636 1 1 18 LYS HA H 9.746 2.216 -2.435 1.00 . A A . 17 LYS HA 1 1 23 7637 1 1 18 LYS HB2 H 7.691 3.780 -0.756 1.00 . A A . 17 LYS HB2 1 1 23 7638 1 1 18 LYS HB3 H 9.159 4.490 -1.399 1.00 . A A . 17 LYS HB3 1 1 23 7639 1 1 18 LYS HD2 H 6.106 5.212 -1.993 1.00 . A A . 17 LYS HD2 1 1 23 7640 1 1 18 LYS HD3 H 7.471 6.190 -2.548 1.00 . A A . 17 LYS HD3 1 1 23 7641 1 1 18 LYS HE2 H 6.774 5.770 -4.965 1.00 . A A . 17 LYS HE2 1 1 23 7642 1 1 18 LYS HE3 H 5.415 4.785 -4.399 1.00 . A A . 17 LYS HE3 1 1 23 7643 1 1 18 LYS HG2 H 8.451 4.177 -3.727 1.00 . A A . 17 LYS HG2 1 1 23 7644 1 1 18 LYS HG3 H 7.055 3.217 -3.248 1.00 . A A . 17 LYS HG3 1 1 23 7645 1 1 18 LYS HZ1 H 5.836 7.662 -3.807 1.00 . A A . 17 LYS HZ1 1 1 23 7646 1 1 18 LYS HZ3 H 4.768 7.049 -4.882 1.00 . A A . 17 LYS HZ3 1 1 23 7647 1 1 18 LYS N N 8.086 1.224 -1.637 1.00 . A A . 17 LYS N 1 1 23 7648 1 1 18 LYS NZ N 5.240 6.848 -3.994 1.00 . A A . 17 LYS NZ 1 1 23 7649 1 1 18 LYS O O 11.052 2.765 -0.163 1.00 . A A . 17 LYS O 1 1 23 7650 1 1 19 VAL C C 11.232 -0.050 1.841 1.00 . A A . 18 VAL C 1 1 23 7651 1 1 19 VAL CA C 10.195 1.086 2.045 1.00 . A A . 18 VAL CA 1 1 23 7652 1 1 19 VAL CB C 9.184 0.924 3.231 1.00 . A A . 18 VAL CB 1 1 23 7653 1 1 19 VAL CG1 C 9.729 0.261 4.501 1.00 . A A . 18 VAL CG1 1 1 23 7654 1 1 19 VAL CG2 C 8.477 2.240 3.608 1.00 . A A . 18 VAL CG2 1 1 23 7655 1 1 19 VAL H H 8.772 0.758 0.409 1.00 . A A . 18 VAL H 1 1 23 7656 1 1 19 VAL HA H 10.783 1.956 2.250 1.00 . A A . 18 VAL HA 1 1 23 7657 1 1 19 VAL HB H 8.411 0.233 2.927 1.00 . A A . 18 VAL HB 1 1 23 7658 1 1 19 VAL HG11 H 8.928 0.148 5.255 1.00 . A A . 18 VAL HG11 1 1 23 7659 1 1 19 VAL HG12 H 10.560 0.838 4.937 1.00 . A A . 18 VAL HG12 1 1 23 7660 1 1 19 VAL HG13 H 10.084 -0.761 4.275 1.00 . A A . 18 VAL HG13 1 1 23 7661 1 1 19 VAL HG21 H 7.935 2.664 2.743 1.00 . A A . 18 VAL HG21 1 1 23 7662 1 1 19 VAL HG22 H 7.720 2.076 4.399 1.00 . A A . 18 VAL HG22 1 1 23 7663 1 1 19 VAL HG23 H 9.186 3.002 3.972 1.00 . A A . 18 VAL HG23 1 1 23 7664 1 1 19 VAL N N 9.502 1.384 0.765 1.00 . A A . 18 VAL N 1 1 23 7665 1 1 19 VAL O O 12.403 0.135 2.187 1.00 . A A . 18 VAL O 1 1 23 7666 1 1 20 LYS C C 12.802 -2.033 -0.096 1.00 . A A . 19 LYS C 1 1 23 7667 1 1 20 LYS CA C 11.707 -2.351 0.997 1.00 . A A . 19 LYS CA 1 1 23 7668 1 1 20 LYS CB C 10.787 -3.538 0.597 1.00 . A A . 19 LYS CB 1 1 23 7669 1 1 20 LYS CD C 10.435 -6.066 0.334 1.00 . A A . 19 LYS CD 1 1 23 7670 1 1 20 LYS CE C 11.080 -7.463 0.362 1.00 . A A . 19 LYS CE 1 1 23 7671 1 1 20 LYS CG C 11.448 -4.934 0.601 1.00 . A A . 19 LYS CG 1 1 23 7672 1 1 20 LYS H H 9.814 -1.236 1.059 1.00 . A A . 19 LYS H 1 1 23 7673 1 1 20 LYS HA H 12.209 -2.610 1.942 1.00 . A A . 19 LYS HA 1 1 23 7674 1 1 20 LYS HB2 H 9.929 -3.588 1.296 1.00 . A A . 19 LYS HB2 1 1 23 7675 1 1 20 LYS HB3 H 10.339 -3.341 -0.397 1.00 . A A . 19 LYS HB3 1 1 23 7676 1 1 20 LYS HD2 H 9.625 -6.017 1.088 1.00 . A A . 19 LYS HD2 1 1 23 7677 1 1 20 LYS HD3 H 9.948 -5.898 -0.646 1.00 . A A . 19 LYS HD3 1 1 23 7678 1 1 20 LYS HE2 H 11.877 -7.536 -0.401 1.00 . A A . 19 LYS HE2 1 1 23 7679 1 1 20 LYS HE3 H 11.566 -7.645 1.338 1.00 . A A . 19 LYS HE3 1 1 23 7680 1 1 20 LYS HG2 H 12.252 -4.971 -0.157 1.00 . A A . 19 LYS HG2 1 1 23 7681 1 1 20 LYS HG3 H 11.942 -5.103 1.577 1.00 . A A . 19 LYS HG3 1 1 23 7682 1 1 20 LYS HZ1 H 9.670 -8.407 -0.814 1.00 . A A . 19 LYS HZ1 1 1 23 7683 1 1 20 LYS HZ3 H 10.539 -9.439 0.109 1.00 . A A . 19 LYS HZ3 1 1 23 7684 1 1 20 LYS N N 10.807 -1.208 1.302 1.00 . A A . 19 LYS N 1 1 23 7685 1 1 20 LYS NZ N 10.083 -8.520 0.119 1.00 . A A . 19 LYS NZ 1 1 23 7686 1 1 20 LYS O O 13.763 -2.794 -0.232 1.00 . A A . 19 LYS O 1 1 23 7687 1 1 21 GLU C C 14.690 0.457 -1.262 1.00 . A A . 20 GLU C 1 1 23 7688 1 1 21 GLU CA C 13.597 -0.445 -1.876 1.00 . A A . 20 GLU CA 1 1 23 7689 1 1 21 GLU CB C 12.772 0.147 -3.037 1.00 . A A . 20 GLU CB 1 1 23 7690 1 1 21 GLU CD C 14.479 1.557 -4.408 1.00 . A A . 20 GLU CD 1 1 23 7691 1 1 21 GLU CG C 13.510 0.371 -4.366 1.00 . A A . 20 GLU CG 1 1 23 7692 1 1 21 GLU H H 11.983 -0.236 -0.480 1.00 . A A . 20 GLU H 1 1 23 7693 1 1 21 GLU HA H 14.093 -1.303 -2.268 1.00 . A A . 20 GLU HA 1 1 23 7694 1 1 21 GLU HB2 H 11.929 -0.533 -3.269 1.00 . A A . 20 GLU HB2 1 1 23 7695 1 1 21 GLU HB3 H 12.307 1.073 -2.690 1.00 . A A . 20 GLU HB3 1 1 23 7696 1 1 21 GLU HE2 H 14.436 3.500 -4.524 1.00 . A A . 20 GLU HE2 1 1 23 7697 1 1 21 GLU HG2 H 14.041 -0.561 -4.630 1.00 . A A . 20 GLU HG2 1 1 23 7698 1 1 21 GLU HG3 H 12.744 0.514 -5.147 1.00 . A A . 20 GLU HG3 1 1 23 7699 1 1 21 GLU N N 12.654 -0.915 -0.850 1.00 . A A . 20 GLU N 1 1 23 7700 1 1 21 GLU O O 15.873 0.115 -1.254 1.00 . A A . 20 GLU O 1 1 23 7701 1 1 21 GLU OE1 O 15.703 1.434 -4.366 1.00 . A A . 20 GLU OE1 1 1 23 7702 1 1 21 GLU OE2 O 13.825 2.760 -4.498 1.00 . A A . 20 GLU OE2 1 1 23 7703 1 1 22 NH2 HN1 H 14.271 1.296 0.334 1.00 . A A . 21 NH2 HN1 1 1 23 7704 1 1 22 NH2 HN2 H 13.486 1.971 -1.103 1.00 . A A . 21 NH2 HN2 1 1 23 7705 1 1 22 NH2 N N 14.313 1.563 -0.651 1.00 . A A . 21 NH2 N 1 1 24 7706 1 1 2 GLU C C -12.976 -2.664 -2.335 1.00 . A A . 1 ACE C 1 1 24 7707 1 1 2 GLU CA C -14.070 -0.653 -1.351 1.00 . A A . 1 ACE CA 1 1 24 7708 1 1 2 GLU CB C -15.310 -0.513 -0.403 1.00 . A A . 1 ACE CB 1 1 24 7709 1 1 2 GLU CD C -17.770 -1.057 0.053 1.00 . A A . 1 ACE CD 1 1 24 7710 1 1 2 GLU CG C -16.627 -1.066 -0.964 1.00 . A A . 1 ACE CG 1 1 24 7711 1 1 2 GLU H H -14.367 -2.758 -0.925 1.00 . A A . 1 ACE H 1 1 24 7712 1 1 2 GLU HA H -14.417 -0.359 -2.359 1.00 . A A . 1 ACE HA 1 1 24 7713 1 1 2 GLU HB2 H -15.061 -0.916 0.595 1.00 . A A . 1 ACE HB2 1 1 24 7714 1 1 2 GLU HB3 H -15.514 0.550 -0.212 1.00 . A A . 1 ACE HB3 1 1 24 7715 1 1 2 GLU HE2 H -19.163 0.137 0.704 1.00 . A A . 1 ACE HE2 1 1 24 7716 1 1 2 GLU HG2 H -16.899 -0.455 -1.846 1.00 . A A . 1 ACE HG2 1 1 24 7717 1 1 2 GLU HG3 H -16.469 -2.092 -1.331 1.00 . A A . 1 ACE HG3 1 1 24 7718 1 1 2 GLU N N -13.717 -2.099 -1.366 1.00 . A A . 1 ACE N 1 1 24 7719 1 1 2 GLU O O -12.396 -2.031 -3.221 1.00 . A A . 1 ACE O 1 1 24 7720 1 1 2 GLU OE1 O -18.042 -2.017 0.774 1.00 . A A . 1 ACE OE1 1 1 24 7721 1 1 2 GLU OE2 O -18.448 0.136 0.065 1.00 . A A . 1 ACE OE2 1 1 24 7722 1 1 3 SER C C -11.172 2.028 0.976 1.00 . A A . 2 SER C 1 1 24 7723 1 1 3 SER CA C -12.209 2.513 -0.053 1.00 . A A . 2 SER CA 1 1 24 7724 1 1 3 SER CB C -12.976 3.741 0.449 1.00 . A A . 2 SER CB 1 1 24 7725 1 1 3 SER H H -14.208 1.618 -0.484 1.00 . A A . 2 SER H 1 1 24 7726 1 1 3 SER HA H -11.688 2.847 -0.949 1.00 . A A . 2 SER HA 1 1 24 7727 1 1 3 SER HB2 H -13.851 3.953 -0.181 1.00 . A A . 2 SER HB2 1 1 24 7728 1 1 3 SER HB3 H -13.382 3.516 1.436 1.00 . A A . 2 SER HB3 1 1 24 7729 1 1 3 SER HG H -11.837 5.052 -0.379 1.00 . A A . 2 SER HG 1 1 24 7730 1 1 3 SER N N -13.192 1.477 -0.472 1.00 . A A . 2 SER N 1 1 24 7731 1 1 3 SER O O -9.980 2.290 0.818 1.00 . A A . 2 SER O 1 1 24 7732 1 1 3 SER OG O -12.138 4.889 0.518 1.00 . A A . 2 SER OG 1 1 24 7733 1 1 4 ALA C C -10.029 -0.593 2.747 1.00 . A A . 3 ALA C 1 1 24 7734 1 1 4 ALA CA C -10.776 0.746 3.067 1.00 . A A . 3 ALA CA 1 1 24 7735 1 1 4 ALA CB C -11.571 0.653 4.367 1.00 . A A . 3 ALA CB 1 1 24 7736 1 1 4 ALA H H -12.681 1.288 1.993 1.00 . A A . 3 ALA H 1 1 24 7737 1 1 4 ALA HA H -9.942 1.451 3.149 1.00 . A A . 3 ALA HA 1 1 24 7738 1 1 4 ALA HB1 H -12.390 -0.085 4.268 1.00 . A A . 3 ALA HB1 1 1 24 7739 1 1 4 ALA HB2 H -12.013 1.628 4.637 1.00 . A A . 3 ALA HB2 1 1 24 7740 1 1 4 ALA HB3 H -10.922 0.332 5.199 1.00 . A A . 3 ALA HB3 1 1 24 7741 1 1 4 ALA N N -11.658 1.336 2.022 1.00 . A A . 3 ALA N 1 1 24 7742 1 1 4 ALA O O -9.448 -1.259 3.607 1.00 . A A . 3 ALA O 1 1 24 7743 1 1 5 LYS C C -8.914 -1.681 -0.659 1.00 . A A . 4 LYS C 1 1 24 7744 1 1 5 LYS CA C -9.453 -2.067 0.781 1.00 . A A . 4 LYS CA 1 1 24 7745 1 1 5 LYS CB C -10.385 -3.305 0.733 1.00 . A A . 4 LYS CB 1 1 24 7746 1 1 5 LYS CD C -9.538 -4.692 2.761 1.00 . A A . 4 LYS CD 1 1 24 7747 1 1 5 LYS CE C -9.943 -5.404 4.064 1.00 . A A . 4 LYS CE 1 1 24 7748 1 1 5 LYS CG C -10.734 -4.011 2.063 1.00 . A A . 4 LYS CG 1 1 24 7749 1 1 5 LYS H H -10.670 -0.246 0.982 1.00 . A A . 4 LYS H 1 1 24 7750 1 1 5 LYS HA H -8.523 -2.224 1.350 1.00 . A A . 4 LYS HA 1 1 24 7751 1 1 5 LYS HB2 H -11.323 -2.990 0.238 1.00 . A A . 4 LYS HB2 1 1 24 7752 1 1 5 LYS HB3 H -9.946 -4.056 0.053 1.00 . A A . 4 LYS HB3 1 1 24 7753 1 1 5 LYS HD2 H -9.073 -5.418 2.066 1.00 . A A . 4 LYS HD2 1 1 24 7754 1 1 5 LYS HD3 H -8.758 -3.939 2.979 1.00 . A A . 4 LYS HD3 1 1 24 7755 1 1 5 LYS HE2 H -10.396 -4.685 4.772 1.00 . A A . 4 LYS HE2 1 1 24 7756 1 1 5 LYS HE3 H -10.716 -6.170 3.863 1.00 . A A . 4 LYS HE3 1 1 24 7757 1 1 5 LYS HG2 H -11.219 -3.295 2.751 1.00 . A A . 4 LYS HG2 1 1 24 7758 1 1 5 LYS HG3 H -11.507 -4.774 1.852 1.00 . A A . 4 LYS HG3 1 1 24 7759 1 1 5 LYS HZ1 H -8.356 -6.723 4.067 1.00 . A A . 4 LYS HZ1 1 1 24 7760 1 1 5 LYS HZ3 H -8.059 -5.352 4.906 1.00 . A A . 4 LYS HZ3 1 1 24 7761 1 1 5 LYS N N -10.088 -0.925 1.466 1.00 . A A . 4 LYS N 1 1 24 7762 1 1 5 LYS NZ N -8.786 -6.049 4.710 1.00 . A A . 4 LYS NZ 1 1 24 7763 1 1 5 LYS O O -8.684 -2.531 -1.524 1.00 . A A . 4 LYS O 1 1 24 7764 1 1 6 HIS C C -7.074 1.247 -1.521 1.00 . A A . 5 HIS C 1 1 24 7765 1 1 6 HIS CA C -8.182 0.299 -2.069 1.00 . A A . 5 HIS CA 1 1 24 7766 1 1 6 HIS CB C -9.251 0.968 -2.965 1.00 . A A . 5 HIS CB 1 1 24 7767 1 1 6 HIS CD2 C -8.005 0.842 -5.239 1.00 . A A . 5 HIS CD2 1 1 24 7768 1 1 6 HIS CE1 C -7.721 2.899 -5.576 1.00 . A A . 5 HIS CE1 1 1 24 7769 1 1 6 HIS CG C -8.641 1.580 -4.226 1.00 . A A . 5 HIS CG 1 1 24 7770 1 1 6 HIS H H -9.306 0.149 -0.203 1.00 . A A . 5 HIS H 1 1 24 7771 1 1 6 HIS HA H -7.635 -0.463 -2.630 1.00 . A A . 5 HIS HA 1 1 24 7772 1 1 6 HIS HB2 H -10.008 0.219 -3.265 1.00 . A A . 5 HIS HB2 1 1 24 7773 1 1 6 HIS HB3 H -9.808 1.735 -2.393 1.00 . A A . 5 HIS HB3 1 1 24 7774 1 1 6 HIS HD2 H -7.937 -0.236 -5.277 1.00 . A A . 5 HIS HD2 1 1 24 7775 1 1 6 HIS HE1 H -7.372 3.816 -6.030 1.00 . A A . 5 HIS HE1 1 1 24 7776 1 1 6 HIS HE2 H -6.832 1.484 -6.969 1.00 . A A . 5 HIS HE2 1 1 24 7777 1 1 6 HIS N N -8.726 -0.371 -0.871 1.00 . A A . 5 HIS N 1 1 24 7778 1 1 6 HIS ND1 N -8.464 2.946 -4.422 1.00 . A A . 5 HIS ND1 1 1 24 7779 1 1 6 HIS NE2 N -7.405 1.694 -6.145 1.00 . A A . 5 HIS NE2 1 1 24 7780 1 1 6 HIS O O -5.976 1.244 -2.081 1.00 . A A . 5 HIS O 1 1 24 7781 1 1 7 MET C C -5.447 2.032 0.973 1.00 . A A . 6 MET C 1 1 24 7782 1 1 7 MET CA C -6.369 2.970 0.163 1.00 . A A . 6 MET CA 1 1 24 7783 1 1 7 MET CB C -6.997 4.113 1.003 1.00 . A A . 6 MET CB 1 1 24 7784 1 1 7 MET CE C -9.376 7.298 -0.311 1.00 . A A . 6 MET CE 1 1 24 7785 1 1 7 MET CG C -8.134 4.884 0.311 1.00 . A A . 6 MET CG 1 1 24 7786 1 1 7 MET H H -8.225 1.908 0.015 1.00 . A A . 6 MET H 1 1 24 7787 1 1 7 MET HA H -5.737 3.378 -0.627 1.00 . A A . 6 MET HA 1 1 24 7788 1 1 7 MET HB2 H -7.376 3.728 1.969 1.00 . A A . 6 MET HB2 1 1 24 7789 1 1 7 MET HB3 H -6.193 4.822 1.276 1.00 . A A . 6 MET HB3 1 1 24 7790 1 1 7 MET HE1 H -9.436 8.397 -0.215 1.00 . A A . 6 MET HE1 1 1 24 7791 1 1 7 MET HE2 H -9.223 7.056 -1.379 1.00 . A A . 6 MET HE2 1 1 24 7792 1 1 7 MET HE3 H -10.345 6.874 0.006 1.00 . A A . 6 MET HE3 1 1 24 7793 1 1 7 MET HG2 H -8.098 4.712 -0.780 1.00 . A A . 6 MET HG2 1 1 24 7794 1 1 7 MET HG3 H -9.115 4.493 0.638 1.00 . A A . 6 MET HG3 1 1 24 7795 1 1 7 MET N N -7.356 2.084 -0.486 1.00 . A A . 6 MET N 1 1 24 7796 1 1 7 MET O O -4.244 2.106 0.771 1.00 . A A . 6 MET O 1 1 24 7797 1 1 7 MET SD S -8.028 6.650 0.697 1.00 . A A . 6 MET SD 1 1 24 7798 1 1 8 PHE C C -4.426 -0.840 1.668 1.00 . A A . 7 PHE C 1 1 24 7799 1 1 8 PHE CA C -5.181 0.155 2.603 1.00 . A A . 7 PHE CA 1 1 24 7800 1 1 8 PHE CB C -6.135 -0.597 3.558 1.00 . A A . 7 PHE CB 1 1 24 7801 1 1 8 PHE CD1 C -5.472 -0.213 5.978 1.00 . A A . 7 PHE CD1 1 1 24 7802 1 1 8 PHE CD2 C -7.357 1.013 5.093 1.00 . A A . 7 PHE CD2 1 1 24 7803 1 1 8 PHE CE1 C -5.634 0.427 7.202 1.00 . A A . 7 PHE CE1 1 1 24 7804 1 1 8 PHE CE2 C -7.519 1.650 6.317 1.00 . A A . 7 PHE CE2 1 1 24 7805 1 1 8 PHE CG C -6.333 0.078 4.916 1.00 . A A . 7 PHE CG 1 1 24 7806 1 1 8 PHE CZ C -6.658 1.358 7.375 1.00 . A A . 7 PHE CZ 1 1 24 7807 1 1 8 PHE H H -6.990 1.022 1.761 1.00 . A A . 7 PHE H 1 1 24 7808 1 1 8 PHE HA H -4.424 0.715 3.158 1.00 . A A . 7 PHE HA 1 1 24 7809 1 1 8 PHE HB2 H -7.100 -0.684 3.053 1.00 . A A . 7 PHE HB2 1 1 24 7810 1 1 8 PHE HB3 H -5.843 -1.655 3.690 1.00 . A A . 7 PHE HB3 1 1 24 7811 1 1 8 PHE HD1 H -4.669 -0.926 5.856 1.00 . A A . 7 PHE HD1 1 1 24 7812 1 1 8 PHE HD2 H -8.024 1.260 4.280 1.00 . A A . 7 PHE HD2 1 1 24 7813 1 1 8 PHE HE1 H -4.952 0.196 8.003 1.00 . A A . 7 PHE HE1 1 1 24 7814 1 1 8 PHE HE2 H -8.311 2.375 6.423 1.00 . A A . 7 PHE HE2 1 1 24 7815 1 1 8 PHE HZ H -6.780 1.858 8.325 1.00 . A A . 7 PHE HZ 1 1 24 7816 1 1 8 PHE N N -5.980 1.144 1.840 1.00 . A A . 7 PHE N 1 1 24 7817 1 1 8 PHE O O -3.327 -1.272 2.023 1.00 . A A . 7 PHE O 1 1 24 7818 1 1 9 ASP C C -3.104 -1.373 -1.080 1.00 . A A . 8 ASP C 1 1 24 7819 1 1 9 ASP CA C -4.359 -2.085 -0.505 1.00 . A A . 8 ASP CA 1 1 24 7820 1 1 9 ASP CB C -5.362 -2.441 -1.626 1.00 . A A . 8 ASP CB 1 1 24 7821 1 1 9 ASP CG C -4.930 -3.588 -2.551 1.00 . A A . 8 ASP CG 1 1 24 7822 1 1 9 ASP H H -6.010 -0.935 0.481 1.00 . A A . 8 ASP H 1 1 24 7823 1 1 9 ASP HA H -4.098 -3.041 -0.009 1.00 . A A . 8 ASP HA 1 1 24 7824 1 1 9 ASP HB2 H -6.307 -2.725 -1.155 1.00 . A A . 8 ASP HB2 1 1 24 7825 1 1 9 ASP HB3 H -5.615 -1.550 -2.231 1.00 . A A . 8 ASP HB3 1 1 24 7826 1 1 9 ASP HD2 H -4.030 -3.855 -4.256 1.00 . A A . 8 ASP HD2 1 1 24 7827 1 1 9 ASP N N -5.011 -1.192 0.496 1.00 . A A . 8 ASP N 1 1 24 7828 1 1 9 ASP O O -2.021 -1.962 -1.058 1.00 . A A . 8 ASP O 1 1 24 7829 1 1 9 ASP OD1 O -5.129 -4.775 -2.295 1.00 . A A . 8 ASP OD1 1 1 24 7830 1 1 9 ASP OD2 O -4.299 -3.135 -3.681 1.00 . A A . 8 ASP OD2 1 1 24 7831 1 1 10 ARG C C -1.124 1.020 -0.961 1.00 . A A . 9 ARG C 1 1 24 7832 1 1 10 ARG CA C -2.132 0.692 -2.087 1.00 . A A . 9 ARG CA 1 1 24 7833 1 1 10 ARG CB C -2.524 1.885 -2.987 1.00 . A A . 9 ARG CB 1 1 24 7834 1 1 10 ARG CD C -4.089 3.960 -3.282 1.00 . A A . 9 ARG CD 1 1 24 7835 1 1 10 ARG CG C -3.247 3.082 -2.330 1.00 . A A . 9 ARG CG 1 1 24 7836 1 1 10 ARG CZ C -3.212 4.485 -5.586 1.00 . A A . 9 ARG CZ 1 1 24 7837 1 1 10 ARG H H -4.239 0.228 -1.486 1.00 . A A . 9 ARG H 1 1 24 7838 1 1 10 ARG HA H -1.604 0.005 -2.747 1.00 . A A . 9 ARG HA 1 1 24 7839 1 1 10 ARG HB2 H -1.603 2.260 -3.474 1.00 . A A . 9 ARG HB2 1 1 24 7840 1 1 10 ARG HB3 H -3.137 1.486 -3.815 1.00 . A A . 9 ARG HB3 1 1 24 7841 1 1 10 ARG HD2 H -4.873 3.349 -3.769 1.00 . A A . 9 ARG HD2 1 1 24 7842 1 1 10 ARG HD3 H -4.652 4.691 -2.673 1.00 . A A . 9 ARG HD3 1 1 24 7843 1 1 10 ARG HG2 H -3.926 2.690 -1.560 1.00 . A A . 9 ARG HG2 1 1 24 7844 1 1 10 ARG HG3 H -2.519 3.703 -1.774 1.00 . A A . 9 ARG HG3 1 1 24 7845 1 1 10 ARG HH11 H -4.475 2.918 -5.611 1.00 . A A . 9 ARG HH11 1 1 24 7846 1 1 10 ARG HH12 H -3.747 3.432 -7.215 1.00 . A A . 9 ARG HH12 1 1 24 7847 1 1 10 ARG HH21 H -1.933 6.006 -5.827 1.00 . A A . 9 ARG HH21 1 1 24 7848 1 1 10 ARG HH22 H -2.406 5.060 -7.326 1.00 . A A . 9 ARG HH22 1 1 24 7849 1 1 10 ARG N N -3.267 -0.112 -1.566 1.00 . A A . 9 ARG N 1 1 24 7850 1 1 10 ARG NE N -3.273 4.727 -4.261 1.00 . A A . 9 ARG NE 1 1 24 7851 1 1 10 ARG NH1 N -3.880 3.511 -6.201 1.00 . A A . 9 ARG NH1 1 1 24 7852 1 1 10 ARG NH2 N -2.439 5.262 -6.321 1.00 . A A . 9 ARG NH2 1 1 24 7853 1 1 10 ARG O O 0.045 0.686 -1.128 1.00 . A A . 9 ARG O 1 1 24 7854 1 1 11 ILE C C 0.219 0.666 1.784 1.00 . A A . 10 ILE C 1 1 24 7855 1 1 11 ILE CA C -0.676 1.882 1.369 1.00 . A A . 10 ILE CA 1 1 24 7856 1 1 11 ILE CB C -1.627 2.436 2.474 1.00 . A A . 10 ILE CB 1 1 24 7857 1 1 11 ILE CD1 C -3.343 4.344 2.862 1.00 . A A . 10 ILE CD1 1 1 24 7858 1 1 11 ILE CG1 C -2.101 3.870 2.115 1.00 . A A . 10 ILE CG1 1 1 24 7859 1 1 11 ILE CG2 C -1.130 2.357 3.928 1.00 . A A . 10 ILE CG2 1 1 24 7860 1 1 11 ILE H H -2.562 1.801 0.269 1.00 . A A . 10 ILE H 1 1 24 7861 1 1 11 ILE HA H -0.002 2.685 1.061 1.00 . A A . 10 ILE HA 1 1 24 7862 1 1 11 ILE HB H -2.496 1.774 2.468 1.00 . A A . 10 ILE HB 1 1 24 7863 1 1 11 ILE HD11 H -4.129 3.567 2.849 1.00 . A A . 10 ILE HD11 1 1 24 7864 1 1 11 ILE HD12 H -3.758 5.243 2.378 1.00 . A A . 10 ILE HD12 1 1 24 7865 1 1 11 ILE HD13 H -3.113 4.569 3.914 1.00 . A A . 10 ILE HD13 1 1 24 7866 1 1 11 ILE HG12 H -1.266 4.579 2.224 1.00 . A A . 10 ILE HG12 1 1 24 7867 1 1 11 ILE HG13 H -2.365 3.910 1.044 1.00 . A A . 10 ILE HG13 1 1 24 7868 1 1 11 ILE HG21 H -0.222 2.960 4.082 1.00 . A A . 10 ILE HG21 1 1 24 7869 1 1 11 ILE HG22 H -1.913 2.697 4.630 1.00 . A A . 10 ILE HG22 1 1 24 7870 1 1 11 ILE HG23 H -0.916 1.309 4.207 1.00 . A A . 10 ILE HG23 1 1 24 7871 1 1 11 ILE N N -1.552 1.580 0.189 1.00 . A A . 10 ILE N 1 1 24 7872 1 1 11 ILE O O 1.415 0.834 2.035 1.00 . A A . 10 ILE O 1 1 24 7873 1 1 12 GLY C C 1.432 -2.262 1.173 1.00 . A A . 11 GLY C 1 1 24 7874 1 1 12 GLY CA C 0.301 -1.800 2.135 1.00 . A A . 11 GLY CA 1 1 24 7875 1 1 12 GLY H H -1.408 -0.459 1.677 1.00 . A A . 11 GLY H 1 1 24 7876 1 1 12 GLY HA2 H 0.719 -1.697 3.148 1.00 . A A . 11 GLY HA2 1 1 24 7877 1 1 12 GLY HA3 H -0.455 -2.596 2.138 1.00 . A A . 11 GLY HA3 1 1 24 7878 1 1 12 GLY N N -0.396 -0.532 1.828 1.00 . A A . 11 GLY N 1 1 24 7879 1 1 12 GLY O O 2.188 -3.173 1.512 1.00 . A A . 11 GLY O 1 1 24 7880 1 1 13 LYS C C 2.849 -0.613 -1.901 1.00 . A A . 12 LYS C 1 1 24 7881 1 1 13 LYS CA C 2.483 -1.912 -1.092 1.00 . A A . 12 LYS CA 1 1 24 7882 1 1 13 LYS CB C 2.162 -3.163 -1.962 1.00 . A A . 12 LYS CB 1 1 24 7883 1 1 13 LYS CD C 0.560 -4.381 -3.595 1.00 . A A . 12 LYS CD 1 1 24 7884 1 1 13 LYS CE C -0.856 -4.456 -4.206 1.00 . A A . 12 LYS CE 1 1 24 7885 1 1 13 LYS CG C 0.822 -3.127 -2.735 1.00 . A A . 12 LYS CG 1 1 24 7886 1 1 13 LYS H H 0.595 -1.178 -0.215 1.00 . A A . 12 LYS H 1 1 24 7887 1 1 13 LYS HA H 3.428 -2.077 -0.552 1.00 . A A . 12 LYS HA 1 1 24 7888 1 1 13 LYS HB2 H 2.991 -3.327 -2.677 1.00 . A A . 12 LYS HB2 1 1 24 7889 1 1 13 LYS HB3 H 2.176 -4.059 -1.313 1.00 . A A . 12 LYS HB3 1 1 24 7890 1 1 13 LYS HD2 H 1.324 -4.461 -4.392 1.00 . A A . 12 LYS HD2 1 1 24 7891 1 1 13 LYS HD3 H 0.703 -5.280 -2.967 1.00 . A A . 12 LYS HD3 1 1 24 7892 1 1 13 LYS HE2 H -1.007 -5.456 -4.651 1.00 . A A . 12 LYS HE2 1 1 24 7893 1 1 13 LYS HE3 H -1.622 -4.365 -3.414 1.00 . A A . 12 LYS HE3 1 1 24 7894 1 1 13 LYS HG2 H -0.001 -3.020 -2.007 1.00 . A A . 12 LYS HG2 1 1 24 7895 1 1 13 LYS HG3 H 0.780 -2.224 -3.371 1.00 . A A . 12 LYS HG3 1 1 24 7896 1 1 13 LYS HZ1 H -1.041 -2.499 -4.842 1.00 . A A . 12 LYS HZ1 1 1 24 7897 1 1 13 LYS HZ3 H -2.066 -3.524 -5.598 1.00 . A A . 12 LYS HZ3 1 1 24 7898 1 1 13 LYS N N 1.465 -1.682 -0.037 1.00 . A A . 12 LYS N 1 1 24 7899 1 1 13 LYS NZ N -1.105 -3.440 -5.246 1.00 . A A . 12 LYS NZ 1 1 24 7900 1 1 13 LYS O O 3.106 -0.654 -3.108 1.00 . A A . 12 LYS O 1 1 24 7901 1 1 14 ASP C C 4.373 2.307 -0.737 1.00 . A A . 13 ASP C 1 1 24 7902 1 1 14 ASP CA C 3.302 1.866 -1.716 1.00 . A A . 13 ASP CA 1 1 24 7903 1 1 14 ASP CB C 2.133 2.839 -1.888 1.00 . A A . 13 ASP CB 1 1 24 7904 1 1 14 ASP CG C 2.420 4.056 -2.773 1.00 . A A . 13 ASP CG 1 1 24 7905 1 1 14 ASP H H 2.492 0.500 -0.258 1.00 . A A . 13 ASP H 1 1 24 7906 1 1 14 ASP HA H 3.851 1.743 -2.636 1.00 . A A . 13 ASP HA 1 1 24 7907 1 1 14 ASP HB2 H 1.261 2.290 -2.249 1.00 . A A . 13 ASP HB2 1 1 24 7908 1 1 14 ASP HB3 H 1.837 3.173 -0.894 1.00 . A A . 13 ASP HB3 1 1 24 7909 1 1 14 ASP HD2 H 1.860 2.907 -4.241 1.00 . A A . 13 ASP HD2 1 1 24 7910 1 1 14 ASP N N 2.922 0.532 -1.191 1.00 . A A . 13 ASP N 1 1 24 7911 1 1 14 ASP O O 5.505 2.506 -1.179 1.00 . A A . 13 ASP O 1 1 24 7912 1 1 14 ASP OD1 O 2.829 5.130 -2.333 1.00 . A A . 13 ASP OD1 1 1 24 7913 1 1 14 ASP OD2 O 2.172 3.803 -4.098 1.00 . A A . 13 ASP OD2 1 1 24 7914 1 1 15 VAL C C 5.379 1.664 2.479 1.00 . A A . 14 VAL C 1 1 24 7915 1 1 15 VAL CA C 5.052 2.898 1.561 1.00 . A A . 14 VAL CA 1 1 24 7916 1 1 15 VAL CB C 4.822 4.243 2.259 1.00 . A A . 14 VAL CB 1 1 24 7917 1 1 15 VAL CG1 C 4.785 5.369 1.214 1.00 . A A . 14 VAL CG1 1 1 24 7918 1 1 15 VAL CG2 C 3.572 4.247 3.156 1.00 . A A . 14 VAL CG2 1 1 24 7919 1 1 15 VAL H H 3.109 2.180 0.805 1.00 . A A . 14 VAL H 1 1 24 7920 1 1 15 VAL HA H 6.005 3.000 1.016 1.00 . A A . 14 VAL HA 1 1 24 7921 1 1 15 VAL HB H 5.728 4.400 2.868 1.00 . A A . 14 VAL HB 1 1 24 7922 1 1 15 VAL HG11 H 3.902 5.262 0.553 1.00 . A A . 14 VAL HG11 1 1 24 7923 1 1 15 VAL HG12 H 4.755 6.358 1.689 1.00 . A A . 14 VAL HG12 1 1 24 7924 1 1 15 VAL HG13 H 5.678 5.312 0.562 1.00 . A A . 14 VAL HG13 1 1 24 7925 1 1 15 VAL HG21 H 3.451 5.211 3.674 1.00 . A A . 14 VAL HG21 1 1 24 7926 1 1 15 VAL HG22 H 3.634 3.456 3.925 1.00 . A A . 14 VAL HG22 1 1 24 7927 1 1 15 VAL HG23 H 2.658 4.049 2.564 1.00 . A A . 14 VAL HG23 1 1 24 7928 1 1 15 VAL N N 4.019 2.552 0.543 1.00 . A A . 14 VAL N 1 1 24 7929 1 1 15 VAL O O 5.509 1.671 3.705 1.00 . A A . 14 VAL O 1 1 24 7930 1 1 16 TYR C C 6.870 -1.110 0.792 1.00 . A A . 15 TYR C 1 1 24 7931 1 1 16 TYR CA C 5.955 -0.749 1.998 1.00 . A A . 15 TYR CA 1 1 24 7932 1 1 16 TYR CB C 4.806 -1.728 2.292 1.00 . A A . 15 TYR CB 1 1 24 7933 1 1 16 TYR CD1 C 5.838 -3.485 3.818 1.00 . A A . 15 TYR CD1 1 1 24 7934 1 1 16 TYR CD2 C 5.334 -4.108 1.539 1.00 . A A . 15 TYR CD2 1 1 24 7935 1 1 16 TYR CE1 C 6.406 -4.738 4.034 1.00 . A A . 15 TYR CE1 1 1 24 7936 1 1 16 TYR CE2 C 5.905 -5.359 1.756 1.00 . A A . 15 TYR CE2 1 1 24 7937 1 1 16 TYR CG C 5.296 -3.161 2.571 1.00 . A A . 15 TYR CG 1 1 24 7938 1 1 16 TYR CZ C 6.439 -5.676 3.004 1.00 . A A . 15 TYR CZ 1 1 24 7939 1 1 16 TYR H H 5.135 0.900 0.772 1.00 . A A . 15 TYR H 1 1 24 7940 1 1 16 TYR HA H 6.598 -0.680 2.871 1.00 . A A . 15 TYR HA 1 1 24 7941 1 1 16 TYR HB2 H 4.208 -1.360 3.149 1.00 . A A . 15 TYR HB2 1 1 24 7942 1 1 16 TYR HB3 H 4.118 -1.703 1.438 1.00 . A A . 15 TYR HB3 1 1 24 7943 1 1 16 TYR HD1 H 5.866 -2.747 4.607 1.00 . A A . 15 TYR HD1 1 1 24 7944 1 1 16 TYR HD2 H 4.970 -3.860 0.550 1.00 . A A . 15 TYR HD2 1 1 24 7945 1 1 16 TYR HE1 H 6.842 -4.962 4.997 1.00 . A A . 15 TYR HE1 1 1 24 7946 1 1 16 TYR HE2 H 5.953 -6.069 0.944 1.00 . A A . 15 TYR HE2 1 1 24 7947 1 1 16 TYR HH H 6.967 -7.413 2.398 1.00 . A A . 15 TYR HH 1 1 24 7948 1 1 16 TYR N N 5.570 0.625 1.684 1.00 . A A . 15 TYR N 1 1 24 7949 1 1 16 TYR O O 7.940 -1.674 1.030 1.00 . A A . 15 TYR O 1 1 24 7950 1 1 16 TYR OH O 7.023 -6.901 3.208 1.00 . A A . 15 TYR OH 1 1 24 7951 1 1 17 ASP C C 8.401 -0.028 -1.751 1.00 . A A . 16 ASP C 1 1 24 7952 1 1 17 ASP CA C 7.317 -1.136 -1.648 1.00 . A A . 16 ASP CA 1 1 24 7953 1 1 17 ASP CB C 6.494 -1.413 -2.912 1.00 . A A . 16 ASP CB 1 1 24 7954 1 1 17 ASP CG C 7.285 -2.009 -4.085 1.00 . A A . 16 ASP CG 1 1 24 7955 1 1 17 ASP H H 5.625 -0.262 -0.533 1.00 . A A . 16 ASP H 1 1 24 7956 1 1 17 ASP HA H 7.892 -2.014 -1.390 1.00 . A A . 16 ASP HA 1 1 24 7957 1 1 17 ASP HB2 H 5.650 -2.091 -2.682 1.00 . A A . 16 ASP HB2 1 1 24 7958 1 1 17 ASP HB3 H 6.039 -0.466 -3.204 1.00 . A A . 16 ASP HB3 1 1 24 7959 1 1 17 ASP HD2 H 7.526 -0.159 -4.643 1.00 . A A . 16 ASP HD2 1 1 24 7960 1 1 17 ASP N N 6.449 -0.877 -0.482 1.00 . A A . 16 ASP N 1 1 24 7961 1 1 17 ASP O O 9.533 -0.373 -2.093 1.00 . A A . 16 ASP O 1 1 24 7962 1 1 17 ASP OD1 O 7.462 -3.217 -4.237 1.00 . A A . 16 ASP OD1 1 1 24 7963 1 1 17 ASP OD2 O 7.768 -1.043 -4.931 1.00 . A A . 16 ASP OD2 1 1 24 7964 1 1 18 LYS C C 10.141 2.164 -0.296 1.00 . A A . 17 LYS C 1 1 24 7965 1 1 18 LYS CA C 9.124 2.335 -1.487 1.00 . A A . 17 LYS CA 1 1 24 7966 1 1 18 LYS CB C 8.476 3.745 -1.478 1.00 . A A . 17 LYS CB 1 1 24 7967 1 1 18 LYS CD C 7.012 5.475 -2.710 1.00 . A A . 17 LYS CD 1 1 24 7968 1 1 18 LYS CE C 6.444 5.993 -4.047 1.00 . A A . 17 LYS CE 1 1 24 7969 1 1 18 LYS CG C 7.799 4.150 -2.808 1.00 . A A . 17 LYS CG 1 1 24 7970 1 1 18 LYS H H 7.146 1.471 -1.133 1.00 . A A . 17 LYS H 1 1 24 7971 1 1 18 LYS HA H 9.690 2.217 -2.422 1.00 . A A . 17 LYS HA 1 1 24 7972 1 1 18 LYS HB2 H 7.757 3.822 -0.639 1.00 . A A . 17 LYS HB2 1 1 24 7973 1 1 18 LYS HB3 H 9.249 4.505 -1.256 1.00 . A A . 17 LYS HB3 1 1 24 7974 1 1 18 LYS HD2 H 6.195 5.375 -1.969 1.00 . A A . 17 LYS HD2 1 1 24 7975 1 1 18 LYS HD3 H 7.679 6.257 -2.301 1.00 . A A . 17 LYS HD3 1 1 24 7976 1 1 18 LYS HE2 H 6.046 7.014 -3.902 1.00 . A A . 17 LYS HE2 1 1 24 7977 1 1 18 LYS HE3 H 7.252 6.093 -4.795 1.00 . A A . 17 LYS HE3 1 1 24 7978 1 1 18 LYS HG2 H 8.572 4.231 -3.596 1.00 . A A . 17 LYS HG2 1 1 24 7979 1 1 18 LYS HG3 H 7.116 3.349 -3.144 1.00 . A A . 17 LYS HG3 1 1 24 7980 1 1 18 LYS HZ1 H 5.713 4.192 -4.749 1.00 . A A . 17 LYS HZ1 1 1 24 7981 1 1 18 LYS HZ3 H 4.604 5.062 -3.921 1.00 . A A . 17 LYS HZ3 1 1 24 7982 1 1 18 LYS N N 8.098 1.266 -1.473 1.00 . A A . 17 LYS N 1 1 24 7983 1 1 18 LYS NZ N 5.368 5.147 -4.600 1.00 . A A . 17 LYS NZ 1 1 24 7984 1 1 18 LYS O O 11.261 2.671 -0.407 1.00 . A A . 17 LYS O 1 1 24 7985 1 1 19 VAL C C 11.571 -0.032 1.707 1.00 . A A . 18 VAL C 1 1 24 7986 1 1 19 VAL CA C 10.659 1.193 1.968 1.00 . A A . 18 VAL CA 1 1 24 7987 1 1 19 VAL CB C 9.915 1.174 3.342 1.00 . A A . 18 VAL CB 1 1 24 7988 1 1 19 VAL CG1 C 8.873 2.297 3.546 1.00 . A A . 18 VAL CG1 1 1 24 7989 1 1 19 VAL CG2 C 9.314 -0.158 3.828 1.00 . A A . 18 VAL CG2 1 1 24 7990 1 1 19 VAL H H 8.912 0.914 0.761 1.00 . A A . 18 VAL H 1 1 24 7991 1 1 19 VAL HA H 11.345 2.033 1.996 1.00 . A A . 18 VAL HA 1 1 24 7992 1 1 19 VAL HB H 10.727 1.354 4.022 1.00 . A A . 18 VAL HB 1 1 24 7993 1 1 19 VAL HG11 H 8.021 2.176 2.854 1.00 . A A . 18 VAL HG11 1 1 24 7994 1 1 19 VAL HG12 H 9.304 3.294 3.358 1.00 . A A . 18 VAL HG12 1 1 24 7995 1 1 19 VAL HG13 H 8.456 2.301 4.571 1.00 . A A . 18 VAL HG13 1 1 24 7996 1 1 19 VAL HG21 H 10.109 -0.899 4.028 1.00 . A A . 18 VAL HG21 1 1 24 7997 1 1 19 VAL HG22 H 8.659 -0.593 3.069 1.00 . A A . 18 VAL HG22 1 1 24 7998 1 1 19 VAL HG23 H 8.740 -0.052 4.766 1.00 . A A . 18 VAL HG23 1 1 24 7999 1 1 19 VAL N N 9.775 1.460 0.815 1.00 . A A . 18 VAL N 1 1 24 8000 1 1 19 VAL O O 12.795 0.063 1.845 1.00 . A A . 18 VAL O 1 1 24 8001 1 1 20 LYS C C 12.628 -2.284 -0.262 1.00 . A A . 19 LYS C 1 1 24 8002 1 1 20 LYS CA C 11.664 -2.423 0.982 1.00 . A A . 19 LYS CA 1 1 24 8003 1 1 20 LYS CB C 10.579 -3.521 0.799 1.00 . A A . 19 LYS CB 1 1 24 8004 1 1 20 LYS CD C 9.930 -5.999 0.721 1.00 . A A . 19 LYS CD 1 1 24 8005 1 1 20 LYS CE C 10.419 -7.458 0.707 1.00 . A A . 19 LYS CE 1 1 24 8006 1 1 20 LYS CG C 11.086 -4.979 0.765 1.00 . A A . 19 LYS CG 1 1 24 8007 1 1 20 LYS H H 9.928 -1.083 1.397 1.00 . A A . 19 LYS H 1 1 24 8008 1 1 20 LYS HA H 12.269 -2.691 1.864 1.00 . A A . 19 LYS HA 1 1 24 8009 1 1 20 LYS HB2 H 9.851 -3.455 1.633 1.00 . A A . 19 LYS HB2 1 1 24 8010 1 1 20 LYS HB3 H 9.989 -3.314 -0.116 1.00 . A A . 19 LYS HB3 1 1 24 8011 1 1 20 LYS HD2 H 9.269 -5.840 1.595 1.00 . A A . 19 LYS HD2 1 1 24 8012 1 1 20 LYS HD3 H 9.303 -5.806 -0.171 1.00 . A A . 19 LYS HD3 1 1 24 8013 1 1 20 LYS HE2 H 11.062 -7.642 -0.174 1.00 . A A . 19 LYS HE2 1 1 24 8014 1 1 20 LYS HE3 H 11.041 -7.667 1.597 1.00 . A A . 19 LYS HE3 1 1 24 8015 1 1 20 LYS HG2 H 11.744 -5.127 -0.112 1.00 . A A . 19 LYS HG2 1 1 24 8016 1 1 20 LYS HG3 H 11.716 -5.170 1.654 1.00 . A A . 19 LYS HG3 1 1 24 8017 1 1 20 LYS HZ1 H 8.680 -8.246 1.493 1.00 . A A . 19 LYS HZ1 1 1 24 8018 1 1 20 LYS HZ3 H 8.699 -8.224 -0.141 1.00 . A A . 19 LYS HZ3 1 1 24 8019 1 1 20 LYS N N 10.950 -1.166 1.333 1.00 . A A . 19 LYS N 1 1 24 8020 1 1 20 LYS NZ N 9.287 -8.402 0.681 1.00 . A A . 19 LYS NZ 1 1 24 8021 1 1 20 LYS O O 13.489 -3.144 -0.463 1.00 . A A . 19 LYS O 1 1 24 8022 1 1 21 GLU C C 14.550 -0.044 -1.836 1.00 . A A . 20 GLU C 1 1 24 8023 1 1 21 GLU CA C 13.319 -0.887 -2.236 1.00 . A A . 20 GLU CA 1 1 24 8024 1 1 21 GLU CB C 12.413 -0.297 -3.333 1.00 . A A . 20 GLU CB 1 1 24 8025 1 1 21 GLU CD C 12.106 0.509 -5.737 1.00 . A A . 20 GLU CD 1 1 24 8026 1 1 21 GLU CG C 13.085 -0.037 -4.695 1.00 . A A . 20 GLU CG 1 1 24 8027 1 1 21 GLU H H 11.898 -0.461 -0.664 1.00 . A A . 20 GLU H 1 1 24 8028 1 1 21 GLU HA H 13.686 -1.814 -2.613 1.00 . A A . 20 GLU HA 1 1 24 8029 1 1 21 GLU HB2 H 11.551 -0.974 -3.477 1.00 . A A . 20 GLU HB2 1 1 24 8030 1 1 21 GLU HB3 H 11.987 0.635 -2.944 1.00 . A A . 20 GLU HB3 1 1 24 8031 1 1 21 GLU HE2 H 10.849 -0.144 -7.072 1.00 . A A . 20 GLU HE2 1 1 24 8032 1 1 21 GLU HG2 H 13.911 0.687 -4.570 1.00 . A A . 20 GLU HG2 1 1 24 8033 1 1 21 GLU HG3 H 13.550 -0.967 -5.070 1.00 . A A . 20 GLU HG3 1 1 24 8034 1 1 21 GLU N N 12.482 -1.202 -1.066 1.00 . A A . 20 GLU N 1 1 24 8035 1 1 21 GLU O O 15.693 -0.492 -1.935 1.00 . A A . 20 GLU O 1 1 24 8036 1 1 21 GLU OE1 O 11.925 1.711 -5.932 1.00 . A A . 20 GLU OE1 1 1 24 8037 1 1 21 GLU OE2 O 11.462 -0.491 -6.420 1.00 . A A . 20 GLU OE2 1 1 24 8038 1 1 22 NH2 HN1 H 13.513 1.587 -1.684 1.00 . A A . 21 NH2 HN1 1 1 24 8039 1 1 22 NH2 HN2 H 14.372 0.942 -0.277 1.00 . A A . 21 NH2 HN2 1 1 24 8040 1 1 22 NH2 N N 14.341 1.133 -1.280 1.00 . A A . 21 NH2 N 1 1 25 8041 1 1 2 GLU C C -12.921 -2.609 -2.324 1.00 . A A . 1 ACE C 1 1 25 8042 1 1 2 GLU CA C -14.044 -0.675 -1.235 1.00 . A A . 1 ACE CA 1 1 25 8043 1 1 2 GLU CB C -15.245 -0.596 -0.235 1.00 . A A . 1 ACE CB 1 1 25 8044 1 1 2 GLU CD C -16.635 -2.797 -0.389 1.00 . A A . 1 ACE CD 1 1 25 8045 1 1 2 GLU CG C -16.570 -1.282 -0.622 1.00 . A A . 1 ACE CG 1 1 25 8046 1 1 2 GLU H H -14.203 -2.791 -0.828 1.00 . A A . 1 ACE H 1 1 25 8047 1 1 2 GLU HA H -14.460 -0.386 -2.218 1.00 . A A . 1 ACE HA 1 1 25 8048 1 1 2 GLU HB2 H -14.913 -0.886 0.778 1.00 . A A . 1 ACE HB2 1 1 25 8049 1 1 2 GLU HB3 H -15.519 0.463 -0.132 1.00 . A A . 1 ACE HB3 1 1 25 8050 1 1 2 GLU HE2 H -16.584 -4.455 -1.407 1.00 . A A . 1 ACE HE2 1 1 25 8051 1 1 2 GLU HG2 H -17.373 -0.812 -0.025 1.00 . A A . 1 ACE HG2 1 1 25 8052 1 1 2 GLU HG3 H -16.810 -1.028 -1.672 1.00 . A A . 1 ACE HG3 1 1 25 8053 1 1 2 GLU N N -13.612 -2.095 -1.293 1.00 . A A . 1 ACE N 1 1 25 8054 1 1 2 GLU O O -12.435 -1.934 -3.236 1.00 . A A . 1 ACE O 1 1 25 8055 1 1 2 GLU OE1 O -16.757 -3.306 0.725 1.00 . A A . 1 ACE OE1 1 1 25 8056 1 1 2 GLU OE2 O -16.543 -3.508 -1.558 1.00 . A A . 1 ACE OE2 1 1 25 8057 1 1 3 SER C C -11.148 2.107 0.986 1.00 . A A . 2 SER C 1 1 25 8058 1 1 3 SER CA C -12.213 2.565 -0.026 1.00 . A A . 2 SER CA 1 1 25 8059 1 1 3 SER CB C -12.965 3.811 0.454 1.00 . A A . 2 SER CB 1 1 25 8060 1 1 3 SER H H -14.215 1.664 -0.371 1.00 . A A . 2 SER H 1 1 25 8061 1 1 3 SER HA H -11.712 2.871 -0.943 1.00 . A A . 2 SER HA 1 1 25 8062 1 1 3 SER HB2 H -13.853 4.006 -0.163 1.00 . A A . 2 SER HB2 1 1 25 8063 1 1 3 SER HB3 H -13.345 3.623 1.459 1.00 . A A . 2 SER HB3 1 1 25 8064 1 1 3 SER HG H -11.392 4.745 1.049 1.00 . A A . 2 SER HG 1 1 25 8065 1 1 3 SER N N -13.202 1.510 -0.391 1.00 . A A . 2 SER N 1 1 25 8066 1 1 3 SER O O -9.958 2.341 0.776 1.00 . A A . 2 SER O 1 1 25 8067 1 1 3 SER OG O -12.121 4.958 0.463 1.00 . A A . 2 SER OG 1 1 25 8068 1 1 4 ALA C C -9.994 -0.460 2.817 1.00 . A A . 3 ALA C 1 1 25 8069 1 1 4 ALA CA C -10.704 0.905 3.113 1.00 . A A . 3 ALA CA 1 1 25 8070 1 1 4 ALA CB C -11.463 0.870 4.437 1.00 . A A . 3 ALA CB 1 1 25 8071 1 1 4 ALA H H -12.632 1.438 2.082 1.00 . A A . 3 ALA H 1 1 25 8072 1 1 4 ALA HA H -9.858 1.601 3.147 1.00 . A A . 3 ALA HA 1 1 25 8073 1 1 4 ALA HB1 H -11.883 1.861 4.686 1.00 . A A . 3 ALA HB1 1 1 25 8074 1 1 4 ALA HB2 H -12.295 0.142 4.388 1.00 . A A . 3 ALA HB2 1 1 25 8075 1 1 4 ALA HB3 H -10.795 0.568 5.262 1.00 . A A . 3 ALA HB3 1 1 25 8076 1 1 4 ALA N N -11.610 1.467 2.074 1.00 . A A . 3 ALA N 1 1 25 8077 1 1 4 ALA O O -9.414 -1.118 3.685 1.00 . A A . 3 ALA O 1 1 25 8078 1 1 5 LYS C C -8.940 -1.669 -0.566 1.00 . A A . 4 LYS C 1 1 25 8079 1 1 5 LYS CA C -9.487 -2.001 0.883 1.00 . A A . 4 LYS CA 1 1 25 8080 1 1 5 LYS CB C -10.467 -3.201 0.862 1.00 . A A . 4 LYS CB 1 1 25 8081 1 1 5 LYS CD C -11.821 -5.017 2.147 1.00 . A A . 4 LYS CD 1 1 25 8082 1 1 5 LYS CE C -13.263 -4.691 1.696 1.00 . A A . 4 LYS CE 1 1 25 8083 1 1 5 LYS CG C -10.825 -3.837 2.225 1.00 . A A . 4 LYS CG 1 1 25 8084 1 1 5 LYS H H -10.662 -0.150 1.056 1.00 . A A . 4 LYS H 1 1 25 8085 1 1 5 LYS HA H -8.562 -2.177 1.453 1.00 . A A . 4 LYS HA 1 1 25 8086 1 1 5 LYS HB2 H -11.386 -2.868 0.346 1.00 . A A . 4 LYS HB2 1 1 25 8087 1 1 5 LYS HB3 H -10.042 -3.992 0.219 1.00 . A A . 4 LYS HB3 1 1 25 8088 1 1 5 LYS HD2 H -11.406 -5.788 1.470 1.00 . A A . 4 LYS HD2 1 1 25 8089 1 1 5 LYS HD3 H -11.860 -5.511 3.136 1.00 . A A . 4 LYS HD3 1 1 25 8090 1 1 5 LYS HE2 H -13.265 -4.235 0.691 1.00 . A A . 4 LYS HE2 1 1 25 8091 1 1 5 LYS HE3 H -13.831 -5.633 1.589 1.00 . A A . 4 LYS HE3 1 1 25 8092 1 1 5 LYS HG2 H -9.895 -4.190 2.706 1.00 . A A . 4 LYS HG2 1 1 25 8093 1 1 5 LYS HG3 H -11.231 -3.071 2.911 1.00 . A A . 4 LYS HG3 1 1 25 8094 1 1 5 LYS HZ1 H -14.953 -3.670 2.305 1.00 . A A . 4 LYS HZ1 1 1 25 8095 1 1 5 LYS HZ3 H -14.073 -4.265 3.548 1.00 . A A . 4 LYS HZ3 1 1 25 8096 1 1 5 LYS N N -10.082 -0.825 1.546 1.00 . A A . 4 LYS N 1 1 25 8097 1 1 5 LYS NZ N -13.990 -3.811 2.632 1.00 . A A . 4 LYS NZ 1 1 25 8098 1 1 5 LYS O O -8.713 -2.553 -1.397 1.00 . A A . 4 LYS O 1 1 25 8099 1 1 6 HIS C C -7.067 1.196 -1.547 1.00 . A A . 5 HIS C 1 1 25 8100 1 1 6 HIS CA C -8.190 0.245 -2.054 1.00 . A A . 5 HIS CA 1 1 25 8101 1 1 6 HIS CB C -9.248 0.890 -2.976 1.00 . A A . 5 HIS CB 1 1 25 8102 1 1 6 HIS CD2 C -7.636 0.655 -4.994 1.00 . A A . 5 HIS CD2 1 1 25 8103 1 1 6 HIS CE1 C -8.144 2.404 -6.044 1.00 . A A . 5 HIS CE1 1 1 25 8104 1 1 6 HIS CG C -8.649 1.343 -4.305 1.00 . A A . 5 HIS CG 1 1 25 8105 1 1 6 HIS H H -9.305 0.186 -0.173 1.00 . A A . 5 HIS H 1 1 25 8106 1 1 6 HIS HA H -7.658 -0.547 -2.587 1.00 . A A . 5 HIS HA 1 1 25 8107 1 1 6 HIS HB2 H -10.049 0.160 -3.193 1.00 . A A . 5 HIS HB2 1 1 25 8108 1 1 6 HIS HB3 H -9.745 1.735 -2.461 1.00 . A A . 5 HIS HB3 1 1 25 8109 1 1 6 HIS HD2 H -7.173 -0.266 -4.669 1.00 . A A . 5 HIS HD2 1 1 25 8110 1 1 6 HIS HE1 H -8.130 3.176 -6.799 1.00 . A A . 5 HIS HE1 1 1 25 8111 1 1 6 HIS HE2 H -6.584 1.122 -6.853 1.00 . A A . 5 HIS HE2 1 1 25 8112 1 1 6 HIS N N -8.744 -0.369 -0.830 1.00 . A A . 5 HIS N 1 1 25 8113 1 1 6 HIS ND1 N -9.008 2.505 -4.979 1.00 . A A . 5 HIS ND1 1 1 25 8114 1 1 6 HIS NE2 N -7.291 1.339 -6.142 1.00 . A A . 5 HIS NE2 1 1 25 8115 1 1 6 HIS O O -5.968 1.153 -2.102 1.00 . A A . 5 HIS O 1 1 25 8116 1 1 7 MET C C -5.394 2.037 0.894 1.00 . A A . 6 MET C 1 1 25 8117 1 1 7 MET CA C -6.315 2.964 0.067 1.00 . A A . 6 MET CA 1 1 25 8118 1 1 7 MET CB C -6.912 4.139 0.888 1.00 . A A . 6 MET CB 1 1 25 8119 1 1 7 MET CE C -9.303 7.286 -0.487 1.00 . A A . 6 MET CE 1 1 25 8120 1 1 7 MET CG C -8.075 4.889 0.217 1.00 . A A . 6 MET CG 1 1 25 8121 1 1 7 MET H H -8.180 1.907 -0.013 1.00 . A A . 6 MET H 1 1 25 8122 1 1 7 MET HA H -5.688 3.340 -0.744 1.00 . A A . 6 MET HA 1 1 25 8123 1 1 7 MET HB2 H -7.255 3.790 1.881 1.00 . A A . 6 MET HB2 1 1 25 8124 1 1 7 MET HB3 H -6.098 4.854 1.106 1.00 . A A . 6 MET HB3 1 1 25 8125 1 1 7 MET HE1 H -9.150 7.013 -1.547 1.00 . A A . 6 MET HE1 1 1 25 8126 1 1 7 MET HE2 H -9.363 8.387 -0.423 1.00 . A A . 6 MET HE2 1 1 25 8127 1 1 7 MET HE3 H -10.272 6.871 -0.158 1.00 . A A . 6 MET HE3 1 1 25 8128 1 1 7 MET HG2 H -8.083 4.684 -0.868 1.00 . A A . 6 MET HG2 1 1 25 8129 1 1 7 MET HG3 H -9.043 4.509 0.593 1.00 . A A . 6 MET HG3 1 1 25 8130 1 1 7 MET N N -7.325 2.072 -0.540 1.00 . A A . 6 MET N 1 1 25 8131 1 1 7 MET O O -4.192 2.104 0.681 1.00 . A A . 6 MET O 1 1 25 8132 1 1 7 MET SD S -7.955 6.666 0.538 1.00 . A A . 6 MET SD 1 1 25 8133 1 1 8 PHE C C -4.399 -0.833 1.653 1.00 . A A . 7 PHE C 1 1 25 8134 1 1 8 PHE CA C -5.141 0.189 2.569 1.00 . A A . 7 PHE CA 1 1 25 8135 1 1 8 PHE CB C -6.095 -0.526 3.552 1.00 . A A . 7 PHE CB 1 1 25 8136 1 1 8 PHE CD1 C -7.254 1.145 5.072 1.00 . A A . 7 PHE CD1 1 1 25 8137 1 1 8 PHE CD2 C -5.387 -0.111 5.954 1.00 . A A . 7 PHE CD2 1 1 25 8138 1 1 8 PHE CE1 C -7.381 1.809 6.286 1.00 . A A . 7 PHE CE1 1 1 25 8139 1 1 8 PHE CE2 C -5.515 0.556 7.168 1.00 . A A . 7 PHE CE2 1 1 25 8140 1 1 8 PHE CG C -6.255 0.181 4.899 1.00 . A A . 7 PHE CG 1 1 25 8141 1 1 8 PHE CZ C -6.513 1.516 7.337 1.00 . A A . 7 PHE CZ 1 1 25 8142 1 1 8 PHE H H -6.940 1.050 1.709 1.00 . A A . 7 PHE H 1 1 25 8143 1 1 8 PHE HA H -4.374 0.753 3.105 1.00 . A A . 7 PHE HA 1 1 25 8144 1 1 8 PHE HB2 H -7.071 -0.603 3.066 1.00 . A A . 7 PHE HB2 1 1 25 8145 1 1 8 PHE HB3 H -5.817 -1.586 3.704 1.00 . A A . 7 PHE HB3 1 1 25 8146 1 1 8 PHE HD1 H -7.926 1.392 4.264 1.00 . A A . 7 PHE HD1 1 1 25 8147 1 1 8 PHE HD2 H -4.603 -0.846 5.834 1.00 . A A . 7 PHE HD2 1 1 25 8148 1 1 8 PHE HE1 H -8.154 2.555 6.390 1.00 . A A . 7 PHE HE1 1 1 25 8149 1 1 8 PHE HE2 H -4.827 0.323 7.964 1.00 . A A . 7 PHE HE2 1 1 25 8150 1 1 8 PHE HZ H -6.609 2.036 8.279 1.00 . A A . 7 PHE HZ 1 1 25 8151 1 1 8 PHE N N -5.929 1.169 1.783 1.00 . A A . 7 PHE N 1 1 25 8152 1 1 8 PHE O O -3.298 -1.258 2.006 1.00 . A A . 7 PHE O 1 1 25 8153 1 1 9 ASP C C -3.107 -1.452 -1.097 1.00 . A A . 8 ASP C 1 1 25 8154 1 1 9 ASP CA C -4.363 -2.148 -0.482 1.00 . A A . 8 ASP CA 1 1 25 8155 1 1 9 ASP CB C -5.392 -2.519 -1.574 1.00 . A A . 8 ASP CB 1 1 25 8156 1 1 9 ASP CG C -4.998 -3.702 -2.469 1.00 . A A . 8 ASP CG 1 1 25 8157 1 1 9 ASP H H -6.005 -0.970 0.503 1.00 . A A . 8 ASP H 1 1 25 8158 1 1 9 ASP HA H -4.104 -3.093 0.035 1.00 . A A . 8 ASP HA 1 1 25 8159 1 1 9 ASP HB2 H -6.335 -2.774 -1.079 1.00 . A A . 8 ASP HB2 1 1 25 8160 1 1 9 ASP HB3 H -5.638 -1.642 -2.202 1.00 . A A . 8 ASP HB3 1 1 25 8161 1 1 9 ASP HD2 H -4.102 -4.041 -4.163 1.00 . A A . 8 ASP HD2 1 1 25 8162 1 1 9 ASP N N -5.004 -1.225 0.505 1.00 . A A . 8 ASP N 1 1 25 8163 1 1 9 ASP O O -2.031 -2.054 -1.140 1.00 . A A . 8 ASP O 1 1 25 8164 1 1 9 ASP OD1 O -5.241 -4.875 -2.186 1.00 . A A . 8 ASP OD1 1 1 25 8165 1 1 9 ASP OD2 O -4.348 -3.299 -3.607 1.00 . A A . 8 ASP OD2 1 1 25 8166 1 1 10 ARG C C -1.131 0.934 -1.021 1.00 . A A . 9 ARG C 1 1 25 8167 1 1 10 ARG CA C -2.188 0.654 -2.109 1.00 . A A . 9 ARG CA 1 1 25 8168 1 1 10 ARG CB C -2.708 1.961 -2.749 1.00 . A A . 9 ARG CB 1 1 25 8169 1 1 10 ARG CD C -4.058 3.045 -4.710 1.00 . A A . 9 ARG CD 1 1 25 8170 1 1 10 ARG CG C -3.468 1.763 -4.086 1.00 . A A . 9 ARG CG 1 1 25 8171 1 1 10 ARG CZ C -5.883 4.707 -4.266 1.00 . A A . 9 ARG CZ 1 1 25 8172 1 1 10 ARG H H -4.252 0.150 -1.463 1.00 . A A . 9 ARG H 1 1 25 8173 1 1 10 ARG HA H -1.684 0.044 -2.859 1.00 . A A . 9 ARG HA 1 1 25 8174 1 1 10 ARG HB2 H -3.343 2.501 -2.021 1.00 . A A . 9 ARG HB2 1 1 25 8175 1 1 10 ARG HB3 H -1.849 2.633 -2.937 1.00 . A A . 9 ARG HB3 1 1 25 8176 1 1 10 ARG HD2 H -3.259 3.798 -4.848 1.00 . A A . 9 ARG HD2 1 1 25 8177 1 1 10 ARG HD3 H -4.425 2.805 -5.727 1.00 . A A . 9 ARG HD3 1 1 25 8178 1 1 10 ARG HG2 H -2.772 1.312 -4.818 1.00 . A A . 9 ARG HG2 1 1 25 8179 1 1 10 ARG HG3 H -4.270 1.011 -3.966 1.00 . A A . 9 ARG HG3 1 1 25 8180 1 1 10 ARG HH11 H -4.930 5.066 -6.002 1.00 . A A . 9 ARG HH11 1 1 25 8181 1 1 10 ARG HH12 H -6.291 6.208 -5.544 1.00 . A A . 9 ARG HH12 1 1 25 8182 1 1 10 ARG HH21 H -6.980 4.560 -2.599 1.00 . A A . 9 ARG HH21 1 1 25 8183 1 1 10 ARG HH22 H -7.373 5.937 -3.745 1.00 . A A . 9 ARG HH22 1 1 25 8184 1 1 10 ARG N N -3.279 -0.183 -1.552 1.00 . A A . 9 ARG N 1 1 25 8185 1 1 10 ARG NE N -5.170 3.621 -3.913 1.00 . A A . 9 ARG NE 1 1 25 8186 1 1 10 ARG NH1 N -5.680 5.398 -5.387 1.00 . A A . 9 ARG NH1 1 1 25 8187 1 1 10 ARG NH2 N -6.843 5.109 -3.454 1.00 . A A . 9 ARG NH2 1 1 25 8188 1 1 10 ARG O O 0.020 0.542 -1.199 1.00 . A A . 9 ARG O 1 1 25 8189 1 1 11 ILE C C 0.241 0.585 1.702 1.00 . A A . 10 ILE C 1 1 25 8190 1 1 11 ILE CA C -0.626 1.823 1.287 1.00 . A A . 10 ILE CA 1 1 25 8191 1 1 11 ILE CB C -1.557 2.404 2.396 1.00 . A A . 10 ILE CB 1 1 25 8192 1 1 11 ILE CD1 C -3.231 4.351 2.783 1.00 . A A . 10 ILE CD1 1 1 25 8193 1 1 11 ILE CG1 C -1.998 3.849 2.037 1.00 . A A . 10 ILE CG1 1 1 25 8194 1 1 11 ILE CG2 C -1.048 2.314 3.845 1.00 . A A . 10 ILE CG2 1 1 25 8195 1 1 11 ILE H H -2.523 1.794 0.199 1.00 . A A . 10 ILE H 1 1 25 8196 1 1 11 ILE HA H 0.066 2.609 0.975 1.00 . A A . 10 ILE HA 1 1 25 8197 1 1 11 ILE HB H -2.442 1.765 2.397 1.00 . A A . 10 ILE HB 1 1 25 8198 1 1 11 ILE HD11 H -3.004 4.551 3.841 1.00 . A A . 10 ILE HD11 1 1 25 8199 1 1 11 ILE HD12 H -3.610 5.274 2.312 1.00 . A A . 10 ILE HD12 1 1 25 8200 1 1 11 ILE HD13 H -4.043 3.603 2.747 1.00 . A A . 10 ILE HD13 1 1 25 8201 1 1 11 ILE HG12 H -1.148 4.539 2.148 1.00 . A A . 10 ILE HG12 1 1 25 8202 1 1 11 ILE HG13 H -2.261 3.896 0.966 1.00 . A A . 10 ILE HG13 1 1 25 8203 1 1 11 ILE HG21 H -0.119 2.889 3.986 1.00 . A A . 10 ILE HG21 1 1 25 8204 1 1 11 ILE HG22 H -0.863 1.261 4.123 1.00 . A A . 10 ILE HG22 1 1 25 8205 1 1 11 ILE HG23 H -1.813 2.680 4.554 1.00 . A A . 10 ILE HG23 1 1 25 8206 1 1 11 ILE N N -1.520 1.544 0.116 1.00 . A A . 10 ILE N 1 1 25 8207 1 1 11 ILE O O 1.438 0.721 1.967 1.00 . A A . 10 ILE O 1 1 25 8208 1 1 12 GLY C C 1.404 -2.326 1.095 1.00 . A A . 11 GLY C 1 1 25 8209 1 1 12 GLY CA C 0.245 -1.891 2.032 1.00 . A A . 11 GLY CA 1 1 25 8210 1 1 12 GLY H H -1.413 -0.493 1.570 1.00 . A A . 11 GLY H 1 1 25 8211 1 1 12 GLY HA2 H 0.623 -1.830 3.064 1.00 . A A . 11 GLY HA2 1 1 25 8212 1 1 12 GLY HA3 H -0.526 -2.672 1.976 1.00 . A A . 11 GLY HA3 1 1 25 8213 1 1 12 GLY N N -0.405 -0.598 1.732 1.00 . A A . 11 GLY N 1 1 25 8214 1 1 12 GLY O O 2.188 -3.196 1.474 1.00 . A A . 11 GLY O 1 1 25 8215 1 1 13 LYS C C 2.791 -0.721 -1.978 1.00 . A A . 12 LYS C 1 1 25 8216 1 1 13 LYS CA C 2.481 -2.027 -1.155 1.00 . A A . 12 LYS CA 1 1 25 8217 1 1 13 LYS CB C 2.189 -3.312 -1.983 1.00 . A A . 12 LYS CB 1 1 25 8218 1 1 13 LYS CD C 3.107 -5.193 -3.488 1.00 . A A . 12 LYS CD 1 1 25 8219 1 1 13 LYS CE C 4.334 -5.729 -4.248 1.00 . A A . 12 LYS CE 1 1 25 8220 1 1 13 LYS CG C 3.408 -3.878 -2.744 1.00 . A A . 12 LYS CG 1 1 25 8221 1 1 13 LYS H H 0.570 -1.272 -0.351 1.00 . A A . 12 LYS H 1 1 25 8222 1 1 13 LYS HA H 3.418 -2.146 -0.584 1.00 . A A . 12 LYS HA 1 1 25 8223 1 1 13 LYS HB2 H 1.818 -4.109 -1.309 1.00 . A A . 12 LYS HB2 1 1 25 8224 1 1 13 LYS HB3 H 1.358 -3.120 -2.689 1.00 . A A . 12 LYS HB3 1 1 25 8225 1 1 13 LYS HD2 H 2.752 -5.952 -2.765 1.00 . A A . 12 LYS HD2 1 1 25 8226 1 1 13 LYS HD3 H 2.270 -5.031 -4.195 1.00 . A A . 12 LYS HD3 1 1 25 8227 1 1 13 LYS HE2 H 4.692 -4.983 -4.982 1.00 . A A . 12 LYS HE2 1 1 25 8228 1 1 13 LYS HE3 H 5.175 -5.905 -3.551 1.00 . A A . 12 LYS HE3 1 1 25 8229 1 1 13 LYS HG2 H 3.771 -3.131 -3.472 1.00 . A A . 12 LYS HG2 1 1 25 8230 1 1 13 LYS HG3 H 4.241 -4.040 -2.033 1.00 . A A . 12 LYS HG3 1 1 25 8231 1 1 13 LYS HZ1 H 4.865 -7.341 -5.424 1.00 . A A . 12 LYS HZ1 1 1 25 8232 1 1 13 LYS HZ3 H 3.759 -7.711 -4.278 1.00 . A A . 12 LYS HZ3 1 1 25 8233 1 1 13 LYS N N 1.425 -1.795 -0.142 1.00 . A A . 12 LYS N 1 1 25 8234 1 1 13 LYS NZ N 4.025 -6.986 -4.953 1.00 . A A . 12 LYS NZ 1 1 25 8235 1 1 13 LYS O O 2.918 -0.729 -3.205 1.00 . A A . 12 LYS O 1 1 25 8236 1 1 14 ASP C C 4.336 2.220 -0.760 1.00 . A A . 13 ASP C 1 1 25 8237 1 1 14 ASP CA C 3.299 1.746 -1.763 1.00 . A A . 13 ASP CA 1 1 25 8238 1 1 14 ASP CB C 2.108 2.683 -1.966 1.00 . A A . 13 ASP CB 1 1 25 8239 1 1 14 ASP CG C 2.376 3.896 -2.861 1.00 . A A . 13 ASP CG 1 1 25 8240 1 1 14 ASP H H 2.528 0.364 -0.308 1.00 . A A . 13 ASP H 1 1 25 8241 1 1 14 ASP HA H 3.870 1.631 -2.670 1.00 . A A . 13 ASP HA 1 1 25 8242 1 1 14 ASP HB2 H 1.265 2.101 -2.340 1.00 . A A . 13 ASP HB2 1 1 25 8243 1 1 14 ASP HB3 H 1.784 3.015 -0.980 1.00 . A A . 13 ASP HB3 1 1 25 8244 1 1 14 ASP HD2 H 2.323 4.384 -4.745 1.00 . A A . 13 ASP HD2 1 1 25 8245 1 1 14 ASP N N 2.948 0.401 -1.246 1.00 . A A . 13 ASP N 1 1 25 8246 1 1 14 ASP O O 5.464 2.476 -1.182 1.00 . A A . 13 ASP O 1 1 25 8247 1 1 14 ASP OD1 O 2.752 4.986 -2.430 1.00 . A A . 13 ASP OD1 1 1 25 8248 1 1 14 ASP OD2 O 2.153 3.622 -4.186 1.00 . A A . 13 ASP OD2 1 1 25 8249 1 1 15 VAL C C 5.298 1.587 2.479 1.00 . A A . 14 VAL C 1 1 25 8250 1 1 15 VAL CA C 4.949 2.815 1.558 1.00 . A A . 14 VAL CA 1 1 25 8251 1 1 15 VAL CB C 4.655 4.146 2.260 1.00 . A A . 14 VAL CB 1 1 25 8252 1 1 15 VAL CG1 C 4.599 5.278 1.223 1.00 . A A . 14 VAL CG1 1 1 25 8253 1 1 15 VAL CG2 C 3.386 4.100 3.129 1.00 . A A . 14 VAL CG2 1 1 25 8254 1 1 15 VAL H H 3.046 2.041 0.755 1.00 . A A . 14 VAL H 1 1 25 8255 1 1 15 VAL HA H 5.909 2.951 1.035 1.00 . A A . 14 VAL HA 1 1 25 8256 1 1 15 VAL HB H 5.542 4.331 2.890 1.00 . A A . 14 VAL HB 1 1 25 8257 1 1 15 VAL HG11 H 3.734 5.146 0.544 1.00 . A A . 14 VAL HG11 1 1 25 8258 1 1 15 VAL HG12 H 5.506 5.258 0.588 1.00 . A A . 14 VAL HG12 1 1 25 8259 1 1 15 VAL HG13 H 4.526 6.262 1.704 1.00 . A A . 14 VAL HG13 1 1 25 8260 1 1 15 VAL HG21 H 2.492 3.875 2.517 1.00 . A A . 14 VAL HG21 1 1 25 8261 1 1 15 VAL HG22 H 3.458 3.306 3.895 1.00 . A A . 14 VAL HG22 1 1 25 8262 1 1 15 VAL HG23 H 3.220 5.055 3.651 1.00 . A A . 14 VAL HG23 1 1 25 8263 1 1 15 VAL N N 3.950 2.440 0.516 1.00 . A A . 14 VAL N 1 1 25 8264 1 1 15 VAL O O 5.411 1.595 3.707 1.00 . A A . 14 VAL O 1 1 25 8265 1 1 16 TYR C C 6.878 -1.140 0.789 1.00 . A A . 15 TYR C 1 1 25 8266 1 1 16 TYR CA C 5.948 -0.809 1.992 1.00 . A A . 15 TYR CA 1 1 25 8267 1 1 16 TYR CB C 4.810 -1.808 2.262 1.00 . A A . 15 TYR CB 1 1 25 8268 1 1 16 TYR CD1 C 5.871 -3.578 3.752 1.00 . A A . 15 TYR CD1 1 1 25 8269 1 1 16 TYR CD2 C 5.349 -4.170 1.468 1.00 . A A . 15 TYR CD2 1 1 25 8270 1 1 16 TYR CE1 C 6.455 -4.827 3.942 1.00 . A A . 15 TYR CE1 1 1 25 8271 1 1 16 TYR CE2 C 5.937 -5.417 1.659 1.00 . A A . 15 TYR CE2 1 1 25 8272 1 1 16 TYR CG C 5.313 -3.240 2.515 1.00 . A A . 15 TYR CG 1 1 25 8273 1 1 16 TYR CZ C 6.489 -5.748 2.896 1.00 . A A . 15 TYR CZ 1 1 25 8274 1 1 16 TYR H H 5.104 0.826 0.766 1.00 . A A . 15 TYR H 1 1 25 8275 1 1 16 TYR HA H 6.584 -0.742 2.872 1.00 . A A . 15 TYR HA 1 1 25 8276 1 1 16 TYR HB2 H 4.203 -1.465 3.122 1.00 . A A . 15 TYR HB2 1 1 25 8277 1 1 16 TYR HB3 H 4.126 -1.774 1.403 1.00 . A A . 15 TYR HB3 1 1 25 8278 1 1 16 TYR HD1 H 5.897 -2.853 4.553 1.00 . A A . 15 TYR HD1 1 1 25 8279 1 1 16 TYR HD2 H 4.971 -3.911 0.488 1.00 . A A . 15 TYR HD2 1 1 25 8280 1 1 16 TYR HE1 H 6.905 -5.060 4.896 1.00 . A A . 15 TYR HE1 1 1 25 8281 1 1 16 TYR HE2 H 5.984 -6.112 0.834 1.00 . A A . 15 TYR HE2 1 1 25 8282 1 1 16 TYR HH H 7.033 -7.467 2.255 1.00 . A A . 15 TYR HH 1 1 25 8283 1 1 16 TYR N N 5.529 0.557 1.684 1.00 . A A . 15 TYR N 1 1 25 8284 1 1 16 TYR O O 7.958 -1.683 1.029 1.00 . A A . 15 TYR O 1 1 25 8285 1 1 16 TYR OH O 7.091 -6.968 3.073 1.00 . A A . 15 TYR OH 1 1 25 8286 1 1 17 ASP C C 8.406 -0.005 -1.735 1.00 . A A . 16 ASP C 1 1 25 8287 1 1 17 ASP CA C 7.341 -1.133 -1.648 1.00 . A A . 16 ASP CA 1 1 25 8288 1 1 17 ASP CB C 6.536 -1.414 -2.923 1.00 . A A . 16 ASP CB 1 1 25 8289 1 1 17 ASP CG C 7.332 -2.031 -4.079 1.00 . A A . 16 ASP CG 1 1 25 8290 1 1 17 ASP H H 5.618 -0.312 -0.531 1.00 . A A . 16 ASP H 1 1 25 8291 1 1 17 ASP HA H 7.933 -2.001 -1.395 1.00 . A A . 16 ASP HA 1 1 25 8292 1 1 17 ASP HB2 H 5.689 -2.088 -2.699 1.00 . A A . 16 ASP HB2 1 1 25 8293 1 1 17 ASP HB3 H 6.087 -0.469 -3.231 1.00 . A A . 16 ASP HB3 1 1 25 8294 1 1 17 ASP HD2 H 7.673 -0.188 -4.606 1.00 . A A . 16 ASP HD2 1 1 25 8295 1 1 17 ASP N N 6.460 -0.903 -0.485 1.00 . A A . 16 ASP N 1 1 25 8296 1 1 17 ASP O O 9.544 -0.326 -2.083 1.00 . A A . 16 ASP O 1 1 25 8297 1 1 17 ASP OD1 O 7.456 -3.244 -4.243 1.00 . A A . 16 ASP OD1 1 1 25 8298 1 1 17 ASP OD2 O 7.882 -1.078 -4.899 1.00 . A A . 16 ASP OD2 1 1 25 8299 1 1 18 LYS C C 10.108 2.183 -0.244 1.00 . A A . 17 LYS C 1 1 25 8300 1 1 18 LYS CA C 9.088 2.365 -1.434 1.00 . A A . 17 LYS CA 1 1 25 8301 1 1 18 LYS CB C 8.370 3.744 -1.424 1.00 . A A . 17 LYS CB 1 1 25 8302 1 1 18 LYS CD C 9.968 5.126 -2.950 1.00 . A A . 17 LYS CD 1 1 25 8303 1 1 18 LYS CE C 10.777 6.429 -3.080 1.00 . A A . 17 LYS CE 1 1 25 8304 1 1 18 LYS CG C 9.252 5.005 -1.588 1.00 . A A . 17 LYS CG 1 1 25 8305 1 1 18 LYS H H 7.126 1.461 -1.093 1.00 . A A . 17 LYS H 1 1 25 8306 1 1 18 LYS HA H 9.640 2.268 -2.378 1.00 . A A . 17 LYS HA 1 1 25 8307 1 1 18 LYS HB2 H 7.603 3.768 -2.222 1.00 . A A . 17 LYS HB2 1 1 25 8308 1 1 18 LYS HB3 H 7.799 3.849 -0.482 1.00 . A A . 17 LYS HB3 1 1 25 8309 1 1 18 LYS HD2 H 10.641 4.258 -3.092 1.00 . A A . 17 LYS HD2 1 1 25 8310 1 1 18 LYS HD3 H 9.219 5.066 -3.764 1.00 . A A . 17 LYS HD3 1 1 25 8311 1 1 18 LYS HE2 H 10.117 7.308 -2.953 1.00 . A A . 17 LYS HE2 1 1 25 8312 1 1 18 LYS HE3 H 11.537 6.494 -2.280 1.00 . A A . 17 LYS HE3 1 1 25 8313 1 1 18 LYS HG2 H 8.609 5.893 -1.443 1.00 . A A . 17 LYS HG2 1 1 25 8314 1 1 18 LYS HG3 H 9.993 5.051 -0.768 1.00 . A A . 17 LYS HG3 1 1 25 8315 1 1 18 LYS HZ1 H 10.752 6.532 -5.142 1.00 . A A . 17 LYS HZ1 1 1 25 8316 1 1 18 LYS HZ3 H 11.953 7.411 -4.464 1.00 . A A . 17 LYS HZ3 1 1 25 8317 1 1 18 LYS N N 8.081 1.279 -1.436 1.00 . A A . 17 LYS N 1 1 25 8318 1 1 18 LYS NZ N 11.449 6.520 -4.388 1.00 . A A . 17 LYS NZ 1 1 25 8319 1 1 18 LYS O O 11.237 2.667 -0.359 1.00 . A A . 17 LYS O 1 1 25 8320 1 1 19 VAL C C 11.550 0.010 1.748 1.00 . A A . 18 VAL C 1 1 25 8321 1 1 19 VAL CA C 10.613 1.213 2.022 1.00 . A A . 18 VAL CA 1 1 25 8322 1 1 19 VAL CB C 9.862 1.160 3.391 1.00 . A A . 18 VAL CB 1 1 25 8323 1 1 19 VAL CG1 C 8.797 2.258 3.608 1.00 . A A . 18 VAL CG1 1 1 25 8324 1 1 19 VAL CG2 C 9.287 -0.191 3.856 1.00 . A A . 18 VAL CG2 1 1 25 8325 1 1 19 VAL H H 8.873 0.934 0.801 1.00 . A A . 18 VAL H 1 1 25 8326 1 1 19 VAL HA H 11.282 2.066 2.067 1.00 . A A . 18 VAL HA 1 1 25 8327 1 1 19 VAL HB H 10.668 1.347 4.078 1.00 . A A . 18 VAL HB 1 1 25 8328 1 1 19 VAL HG11 H 7.945 2.125 2.918 1.00 . A A . 18 VAL HG11 1 1 25 8329 1 1 19 VAL HG12 H 9.206 3.266 3.427 1.00 . A A . 18 VAL HG12 1 1 25 8330 1 1 19 VAL HG13 H 8.384 2.246 4.635 1.00 . A A . 18 VAL HG13 1 1 25 8331 1 1 19 VAL HG21 H 10.097 -0.919 4.046 1.00 . A A . 18 VAL HG21 1 1 25 8332 1 1 19 VAL HG22 H 8.711 -0.111 4.796 1.00 . A A . 18 VAL HG22 1 1 25 8333 1 1 19 VAL HG23 H 8.642 -0.628 3.090 1.00 . A A . 18 VAL HG23 1 1 25 8334 1 1 19 VAL N N 9.730 1.488 0.870 1.00 . A A . 18 VAL N 1 1 25 8335 1 1 19 VAL O O 12.770 0.127 1.899 1.00 . A A . 18 VAL O 1 1 25 8336 1 1 20 LYS C C 12.673 -2.181 -0.246 1.00 . A A . 19 LYS C 1 1 25 8337 1 1 20 LYS CA C 11.698 -2.364 0.983 1.00 . A A . 19 LYS CA 1 1 25 8338 1 1 20 LYS CB C 10.641 -3.484 0.766 1.00 . A A . 19 LYS CB 1 1 25 8339 1 1 20 LYS CD C 10.066 -5.985 0.614 1.00 . A A . 19 LYS CD 1 1 25 8340 1 1 20 LYS CE C 10.549 -7.449 0.603 1.00 . A A . 19 LYS CE 1 1 25 8341 1 1 20 LYS CG C 11.190 -4.927 0.707 1.00 . A A . 19 LYS CG 1 1 25 8342 1 1 20 LYS H H 9.931 -1.067 1.412 1.00 . A A . 19 LYS H 1 1 25 8343 1 1 20 LYS HA H 12.299 -2.636 1.866 1.00 . A A . 19 LYS HA 1 1 25 8344 1 1 20 LYS HB2 H 9.904 -3.455 1.592 1.00 . A A . 19 LYS HB2 1 1 25 8345 1 1 20 LYS HB3 H 10.057 -3.275 -0.152 1.00 . A A . 19 LYS HB3 1 1 25 8346 1 1 20 LYS HD2 H 9.389 -5.859 1.479 1.00 . A A . 19 LYS HD2 1 1 25 8347 1 1 20 LYS HD3 H 9.434 -5.792 -0.274 1.00 . A A . 19 LYS HD3 1 1 25 8348 1 1 20 LYS HE2 H 11.216 -7.643 1.464 1.00 . A A . 19 LYS HE2 1 1 25 8349 1 1 20 LYS HE3 H 9.680 -8.118 0.743 1.00 . A A . 19 LYS HE3 1 1 25 8350 1 1 20 LYS HG2 H 11.870 -5.033 -0.158 1.00 . A A . 19 LYS HG2 1 1 25 8351 1 1 20 LYS HG3 H 11.807 -5.124 1.604 1.00 . A A . 19 LYS HG3 1 1 25 8352 1 1 20 LYS HZ1 H 12.085 -7.270 -0.767 1.00 . A A . 19 LYS HZ1 1 1 25 8353 1 1 20 LYS HZ3 H 11.550 -8.805 -0.592 1.00 . A A . 19 LYS HZ3 1 1 25 8354 1 1 20 LYS N N 10.954 -1.129 1.349 1.00 . A A . 19 LYS N 1 1 25 8355 1 1 20 LYS NZ N 11.234 -7.830 -0.647 1.00 . A A . 19 LYS NZ 1 1 25 8356 1 1 20 LYS O O 13.561 -3.013 -0.449 1.00 . A A . 19 LYS O 1 1 25 8357 1 1 21 GLU C C 14.567 0.113 -1.760 1.00 . A A . 20 GLU C 1 1 25 8358 1 1 21 GLU CA C 13.350 -0.737 -2.191 1.00 . A A . 20 GLU CA 1 1 25 8359 1 1 21 GLU CB C 12.446 -0.133 -3.283 1.00 . A A . 20 GLU CB 1 1 25 8360 1 1 21 GLU CD C 12.153 0.737 -5.666 1.00 . A A . 20 GLU CD 1 1 25 8361 1 1 21 GLU CG C 13.128 0.173 -4.630 1.00 . A A . 20 GLU CG 1 1 25 8362 1 1 21 GLU H H 11.904 -0.371 -0.627 1.00 . A A . 20 GLU H 1 1 25 8363 1 1 21 GLU HA H 13.734 -1.650 -2.587 1.00 . A A . 20 GLU HA 1 1 25 8364 1 1 21 GLU HB2 H 11.598 -0.820 -3.454 1.00 . A A . 20 GLU HB2 1 1 25 8365 1 1 21 GLU HB3 H 12.002 0.782 -2.875 1.00 . A A . 20 GLU HB3 1 1 25 8366 1 1 21 GLU HE2 H 10.919 0.106 -7.033 1.00 . A A . 20 GLU HE2 1 1 25 8367 1 1 21 GLU HG2 H 13.945 0.903 -4.477 1.00 . A A . 20 GLU HG2 1 1 25 8368 1 1 21 GLU HG3 H 13.609 -0.740 -5.025 1.00 . A A . 20 GLU HG3 1 1 25 8369 1 1 21 GLU N N 12.507 -1.092 -1.037 1.00 . A A . 20 GLU N 1 1 25 8370 1 1 21 GLU O O 15.716 -0.314 -1.863 1.00 . A A . 20 GLU O 1 1 25 8371 1 1 21 GLU OE1 O 11.958 1.941 -5.827 1.00 . A A . 20 GLU OE1 1 1 25 8372 1 1 21 GLU OE2 O 11.530 -0.252 -6.384 1.00 . A A . 20 GLU OE2 1 1 25 8373 1 1 22 NH2 HN1 H 13.505 1.724 -1.576 1.00 . A A . 21 NH2 HN1 1 1 25 8374 1 1 22 NH2 HN2 H 14.356 1.054 -0.177 1.00 . A A . 21 NH2 HN2 1 1 25 8375 1 1 22 NH2 N N 14.336 1.272 -1.175 1.00 . A A . 21 NH2 N 1 1 26 8376 1 1 2 GLU C C -13.075 -2.648 -2.202 1.00 . A A . 1 ACE C 1 1 26 8377 1 1 2 GLU CA C -14.103 -0.558 -1.318 1.00 . A A . 1 ACE CA 1 1 26 8378 1 1 2 GLU CB C -15.342 -0.337 -0.385 1.00 . A A . 1 ACE CB 1 1 26 8379 1 1 2 GLU CD C -17.826 -0.763 0.077 1.00 . A A . 1 ACE CD 1 1 26 8380 1 1 2 GLU CG C -16.677 -0.865 -0.928 1.00 . A A . 1 ACE CG 1 1 26 8381 1 1 2 GLU H H -14.471 -2.630 -0.796 1.00 . A A . 1 ACE H 1 1 26 8382 1 1 2 GLU HA H -14.437 -0.299 -2.341 1.00 . A A . 1 ACE HA 1 1 26 8383 1 1 2 GLU HB2 H -15.115 -0.703 0.633 1.00 . A A . 1 ACE HB2 1 1 26 8384 1 1 2 GLU HB3 H -15.515 0.738 -0.234 1.00 . A A . 1 ACE HB3 1 1 26 8385 1 1 2 GLU HE2 H -18.614 -1.789 1.532 1.00 . A A . 1 ACE HE2 1 1 26 8386 1 1 2 GLU HG2 H -16.925 -0.274 -1.830 1.00 . A A . 1 ACE HG2 1 1 26 8387 1 1 2 GLU HG3 H -16.557 -1.908 -1.261 1.00 . A A . 1 ACE HG3 1 1 26 8388 1 1 2 GLU N N -13.798 -2.014 -1.263 1.00 . A A . 1 ACE N 1 1 26 8389 1 1 2 GLU O O -12.470 -2.076 -3.113 1.00 . A A . 1 ACE O 1 1 26 8390 1 1 2 GLU OE1 O -18.596 0.196 0.131 1.00 . A A . 1 ACE OE1 1 1 26 8391 1 1 2 GLU OE2 O -17.892 -1.857 0.903 1.00 . A A . 1 ACE OE2 1 1 26 8392 1 1 3 SER C C -11.123 2.121 0.900 1.00 . A A . 2 SER C 1 1 26 8393 1 1 3 SER CA C -12.147 2.601 -0.144 1.00 . A A . 2 SER CA 1 1 26 8394 1 1 3 SER CB C -12.873 3.869 0.317 1.00 . A A . 2 SER CB 1 1 26 8395 1 1 3 SER H H -14.173 1.752 -0.539 1.00 . A A . 2 SER H 1 1 26 8396 1 1 3 SER HA H -11.619 2.888 -1.052 1.00 . A A . 2 SER HA 1 1 26 8397 1 1 3 SER HB2 H -13.744 4.084 -0.317 1.00 . A A . 2 SER HB2 1 1 26 8398 1 1 3 SER HB3 H -13.281 3.691 1.313 1.00 . A A . 2 SER HB3 1 1 26 8399 1 1 3 SER HG H -11.288 4.762 0.944 1.00 . A A . 2 SER HG 1 1 26 8400 1 1 3 SER N N -13.162 1.580 -0.523 1.00 . A A . 2 SER N 1 1 26 8401 1 1 3 SER O O -9.924 2.345 0.732 1.00 . A A . 2 SER O 1 1 26 8402 1 1 3 SER OG O -12.000 4.993 0.342 1.00 . A A . 2 SER OG 1 1 26 8403 1 1 4 ALA C C -10.040 -0.467 2.752 1.00 . A A . 3 ALA C 1 1 26 8404 1 1 4 ALA CA C -10.755 0.898 3.030 1.00 . A A . 3 ALA CA 1 1 26 8405 1 1 4 ALA CB C -11.550 0.864 4.333 1.00 . A A . 3 ALA CB 1 1 26 8406 1 1 4 ALA H H -12.648 1.459 1.944 1.00 . A A . 3 ALA H 1 1 26 8407 1 1 4 ALA HA H -9.905 1.587 3.090 1.00 . A A . 3 ALA HA 1 1 26 8408 1 1 4 ALA HB1 H -11.970 1.856 4.574 1.00 . A A . 3 ALA HB1 1 1 26 8409 1 1 4 ALA HB2 H -10.908 0.553 5.175 1.00 . A A . 3 ALA HB2 1 1 26 8410 1 1 4 ALA HB3 H -12.386 0.142 4.257 1.00 . A A . 3 ALA HB3 1 1 26 8411 1 1 4 ALA N N -11.624 1.477 1.968 1.00 . A A . 3 ALA N 1 1 26 8412 1 1 4 ALA O O -9.473 -1.121 3.632 1.00 . A A . 3 ALA O 1 1 26 8413 1 1 5 LYS C C -8.944 -1.688 -0.614 1.00 . A A . 4 LYS C 1 1 26 8414 1 1 5 LYS CA C -9.500 -2.016 0.833 1.00 . A A . 4 LYS CA 1 1 26 8415 1 1 5 LYS CB C -10.465 -3.226 0.814 1.00 . A A . 4 LYS CB 1 1 26 8416 1 1 5 LYS CD C -11.715 -5.101 2.046 1.00 . A A . 4 LYS CD 1 1 26 8417 1 1 5 LYS CE C -12.029 -5.753 3.405 1.00 . A A . 4 LYS CE 1 1 26 8418 1 1 5 LYS CG C -10.784 -3.880 2.176 1.00 . A A . 4 LYS CG 1 1 26 8419 1 1 5 LYS H H -10.673 -0.160 0.977 1.00 . A A . 4 LYS H 1 1 26 8420 1 1 5 LYS HA H -8.579 -2.184 1.411 1.00 . A A . 4 LYS HA 1 1 26 8421 1 1 5 LYS HB2 H -11.401 -2.907 0.318 1.00 . A A . 4 LYS HB2 1 1 26 8422 1 1 5 LYS HB3 H -10.036 -4.004 0.157 1.00 . A A . 4 LYS HB3 1 1 26 8423 1 1 5 LYS HD2 H -12.657 -4.792 1.553 1.00 . A A . 4 LYS HD2 1 1 26 8424 1 1 5 LYS HD3 H -11.250 -5.847 1.372 1.00 . A A . 4 LYS HD3 1 1 26 8425 1 1 5 LYS HE2 H -11.097 -6.077 3.903 1.00 . A A . 4 LYS HE2 1 1 26 8426 1 1 5 LYS HE3 H -12.506 -5.022 4.084 1.00 . A A . 4 LYS HE3 1 1 26 8427 1 1 5 LYS HG2 H -9.840 -4.179 2.669 1.00 . A A . 4 LYS HG2 1 1 26 8428 1 1 5 LYS HG3 H -11.254 -3.136 2.846 1.00 . A A . 4 LYS HG3 1 1 26 8429 1 1 5 LYS HZ1 H -13.088 -7.354 4.164 1.00 . A A . 4 LYS HZ1 1 1 26 8430 1 1 5 LYS HZ3 H -12.464 -7.637 2.680 1.00 . A A . 4 LYS HZ3 1 1 26 8431 1 1 5 LYS N N -10.107 -0.838 1.482 1.00 . A A . 4 LYS N 1 1 26 8432 1 1 5 LYS NZ N -12.920 -6.917 3.252 1.00 . A A . 4 LYS NZ 1 1 26 8433 1 1 5 LYS O O -8.713 -2.571 -1.444 1.00 . A A . 4 LYS O 1 1 26 8434 1 1 6 HIS C C -7.059 1.181 -1.583 1.00 . A A . 5 HIS C 1 1 26 8435 1 1 6 HIS CA C -8.179 0.228 -2.094 1.00 . A A . 5 HIS CA 1 1 26 8436 1 1 6 HIS CB C -9.243 0.873 -3.009 1.00 . A A . 5 HIS CB 1 1 26 8437 1 1 6 HIS CD2 C -7.856 0.581 -5.180 1.00 . A A . 5 HIS CD2 1 1 26 8438 1 1 6 HIS CE1 C -7.984 2.541 -5.931 1.00 . A A . 5 HIS CE1 1 1 26 8439 1 1 6 HIS CG C -8.647 1.366 -4.324 1.00 . A A . 5 HIS CG 1 1 26 8440 1 1 6 HIS H H -9.305 0.165 -0.221 1.00 . A A . 5 HIS H 1 1 26 8441 1 1 6 HIS HA H -7.642 -0.562 -2.625 1.00 . A A . 5 HIS HA 1 1 26 8442 1 1 6 HIS HB2 H -10.032 0.134 -3.243 1.00 . A A . 5 HIS HB2 1 1 26 8443 1 1 6 HIS HB3 H -9.760 1.696 -2.479 1.00 . A A . 5 HIS HB3 1 1 26 8444 1 1 6 HIS HD2 H -7.603 -0.457 -5.019 1.00 . A A . 5 HIS HD2 1 1 26 8445 1 1 6 HIS HE1 H -7.826 3.396 -6.573 1.00 . A A . 5 HIS HE1 1 1 26 8446 1 1 6 HIS HE2 H -6.812 1.078 -7.036 1.00 . A A . 5 HIS HE2 1 1 26 8447 1 1 6 HIS N N -8.740 -0.388 -0.874 1.00 . A A . 5 HIS N 1 1 26 8448 1 1 6 HIS ND1 N -8.745 2.671 -4.794 1.00 . A A . 5 HIS ND1 1 1 26 8449 1 1 6 HIS NE2 N -7.416 1.337 -6.248 1.00 . A A . 5 HIS NE2 1 1 26 8450 1 1 6 HIS O O -5.958 1.137 -2.133 1.00 . A A . 5 HIS O 1 1 26 8451 1 1 7 MET C C -5.417 2.033 0.879 1.00 . A A . 6 MET C 1 1 26 8452 1 1 7 MET CA C -6.327 2.955 0.034 1.00 . A A . 6 MET CA 1 1 26 8453 1 1 7 MET CB C -6.941 4.134 0.835 1.00 . A A . 6 MET CB 1 1 26 8454 1 1 7 MET CE C -8.731 6.816 2.048 1.00 . A A . 6 MET CE 1 1 26 8455 1 1 7 MET CG C -8.081 4.885 0.121 1.00 . A A . 6 MET CG 1 1 26 8456 1 1 7 MET H H -8.188 1.897 -0.063 1.00 . A A . 6 MET H 1 1 26 8457 1 1 7 MET HA H -5.691 3.331 -0.770 1.00 . A A . 6 MET HA 1 1 26 8458 1 1 7 MET HB2 H -7.317 3.789 1.817 1.00 . A A . 6 MET HB2 1 1 26 8459 1 1 7 MET HB3 H -6.132 4.849 1.076 1.00 . A A . 6 MET HB3 1 1 26 8460 1 1 7 MET HE1 H -8.159 6.240 2.798 1.00 . A A . 6 MET HE1 1 1 26 8461 1 1 7 MET HE2 H -9.770 6.438 2.040 1.00 . A A . 6 MET HE2 1 1 26 8462 1 1 7 MET HE3 H -8.753 7.872 2.373 1.00 . A A . 6 MET HE3 1 1 26 8463 1 1 7 MET HG2 H -8.045 4.672 -0.962 1.00 . A A . 6 MET HG2 1 1 26 8464 1 1 7 MET HG3 H -9.065 4.506 0.452 1.00 . A A . 6 MET HG3 1 1 26 8465 1 1 7 MET N N -7.327 2.058 -0.581 1.00 . A A . 6 MET N 1 1 26 8466 1 1 7 MET O O -4.212 2.108 0.689 1.00 . A A . 6 MET O 1 1 26 8467 1 1 7 MET SD S -7.981 6.672 0.412 1.00 . A A . 6 MET SD 1 1 26 8468 1 1 8 PHE C C -4.428 -0.832 1.653 1.00 . A A . 7 PHE C 1 1 26 8469 1 1 8 PHE CA C -5.184 0.186 2.560 1.00 . A A . 7 PHE CA 1 1 26 8470 1 1 8 PHE CB C -6.147 -0.530 3.533 1.00 . A A . 7 PHE CB 1 1 26 8471 1 1 8 PHE CD1 C -5.479 -0.109 5.945 1.00 . A A . 7 PHE CD1 1 1 26 8472 1 1 8 PHE CD2 C -7.329 1.146 5.030 1.00 . A A . 7 PHE CD2 1 1 26 8473 1 1 8 PHE CE1 C -5.626 0.561 7.155 1.00 . A A . 7 PHE CE1 1 1 26 8474 1 1 8 PHE CE2 C -7.477 1.813 6.240 1.00 . A A . 7 PHE CE2 1 1 26 8475 1 1 8 PHE CG C -6.329 0.181 4.875 1.00 . A A . 7 PHE CG 1 1 26 8476 1 1 8 PHE CZ C -6.626 1.521 7.305 1.00 . A A . 7 PHE CZ 1 1 26 8477 1 1 8 PHE H H -6.973 1.046 1.674 1.00 . A A . 7 PHE H 1 1 26 8478 1 1 8 PHE HA H -4.426 0.751 3.107 1.00 . A A . 7 PHE HA 1 1 26 8479 1 1 8 PHE HB2 H -7.117 -0.613 3.035 1.00 . A A . 7 PHE HB2 1 1 26 8480 1 1 8 PHE HB3 H -5.866 -1.588 3.693 1.00 . A A . 7 PHE HB3 1 1 26 8481 1 1 8 PHE HD1 H -4.694 -0.846 5.840 1.00 . A A . 7 PHE HD1 1 1 26 8482 1 1 8 PHE HD2 H -7.988 1.392 4.210 1.00 . A A . 7 PHE HD2 1 1 26 8483 1 1 8 PHE HE1 H -4.953 0.329 7.964 1.00 . A A . 7 PHE HE1 1 1 26 8484 1 1 8 PHE HE2 H -8.250 2.559 6.330 1.00 . A A . 7 PHE HE2 1 1 26 8485 1 1 8 PHE HZ H -6.737 2.044 8.245 1.00 . A A . 7 PHE HZ 1 1 26 8486 1 1 8 PHE N N -5.963 1.163 1.760 1.00 . A A . 7 PHE N 1 1 26 8487 1 1 8 PHE O O -3.326 -1.248 2.017 1.00 . A A . 7 PHE O 1 1 26 8488 1 1 9 ASP C C -3.098 -1.450 -1.075 1.00 . A A . 8 ASP C 1 1 26 8489 1 1 9 ASP CA C -4.364 -2.153 -0.479 1.00 . A A . 8 ASP CA 1 1 26 8490 1 1 9 ASP CB C -5.377 -2.523 -1.587 1.00 . A A . 8 ASP CB 1 1 26 8491 1 1 9 ASP CG C -4.957 -3.686 -2.495 1.00 . A A . 8 ASP CG 1 1 26 8492 1 1 9 ASP H H -6.022 -0.981 0.487 1.00 . A A . 8 ASP H 1 1 26 8493 1 1 9 ASP HA H -4.112 -3.099 0.039 1.00 . A A . 8 ASP HA 1 1 26 8494 1 1 9 ASP HB2 H -6.329 -2.779 -1.111 1.00 . A A . 8 ASP HB2 1 1 26 8495 1 1 9 ASP HB3 H -5.611 -1.643 -2.214 1.00 . A A . 8 ASP HB3 1 1 26 8496 1 1 9 ASP HD2 H -5.007 -5.632 -2.525 1.00 . A A . 8 ASP HD2 1 1 26 8497 1 1 9 ASP N N -5.021 -1.233 0.501 1.00 . A A . 8 ASP N 1 1 26 8498 1 1 9 ASP O O -2.019 -2.047 -1.110 1.00 . A A . 8 ASP O 1 1 26 8499 1 1 9 ASP OD1 O -4.398 -3.530 -3.579 1.00 . A A . 8 ASP OD1 1 1 26 8500 1 1 9 ASP OD2 O -5.273 -4.907 -1.955 1.00 . A A . 8 ASP OD2 1 1 26 8501 1 1 10 ARG C C -1.134 0.947 -0.965 1.00 . A A . 9 ARG C 1 1 26 8502 1 1 10 ARG CA C -2.184 0.676 -2.061 1.00 . A A . 9 ARG CA 1 1 26 8503 1 1 10 ARG CB C -2.731 1.998 -2.643 1.00 . A A . 9 ARG CB 1 1 26 8504 1 1 10 ARG CD C -4.348 3.055 -4.413 1.00 . A A . 9 ARG CD 1 1 26 8505 1 1 10 ARG CG C -3.439 1.870 -4.016 1.00 . A A . 9 ARG CG 1 1 26 8506 1 1 10 ARG CZ C -3.650 5.381 -3.739 1.00 . A A . 9 ARG CZ 1 1 26 8507 1 1 10 ARG H H -4.247 0.147 -1.448 1.00 . A A . 9 ARG H 1 1 26 8508 1 1 10 ARG HA H -1.673 0.092 -2.827 1.00 . A A . 9 ARG HA 1 1 26 8509 1 1 10 ARG HB2 H -3.408 2.471 -1.906 1.00 . A A . 9 ARG HB2 1 1 26 8510 1 1 10 ARG HB3 H -1.895 2.715 -2.757 1.00 . A A . 9 ARG HB3 1 1 26 8511 1 1 10 ARG HD2 H -4.838 2.808 -5.372 1.00 . A A . 9 ARG HD2 1 1 26 8512 1 1 10 ARG HD3 H -5.186 3.149 -3.697 1.00 . A A . 9 ARG HD3 1 1 26 8513 1 1 10 ARG HG2 H -2.683 1.692 -4.805 1.00 . A A . 9 ARG HG2 1 1 26 8514 1 1 10 ARG HG3 H -4.067 0.960 -4.021 1.00 . A A . 9 ARG HG3 1 1 26 8515 1 1 10 ARG HH11 H -4.862 4.540 -2.369 1.00 . A A . 9 ARG HH11 1 1 26 8516 1 1 10 ARG HH12 H -4.265 6.241 -2.026 1.00 . A A . 9 ARG HH12 1 1 26 8517 1 1 10 ARG HH21 H -2.438 6.431 -4.937 1.00 . A A . 9 ARG HH21 1 1 26 8518 1 1 10 ARG HH22 H -2.986 7.236 -3.382 1.00 . A A . 9 ARG HH22 1 1 26 8519 1 1 10 ARG N N -3.271 -0.178 -1.521 1.00 . A A . 9 ARG N 1 1 26 8520 1 1 10 ARG NE N -3.625 4.341 -4.599 1.00 . A A . 9 ARG NE 1 1 26 8521 1 1 10 ARG NH1 N -4.329 5.388 -2.593 1.00 . A A . 9 ARG NH1 1 1 26 8522 1 1 10 ARG NH2 N -2.954 6.458 -4.051 1.00 . A A . 9 ARG NH2 1 1 26 8523 1 1 10 ARG O O 0.018 0.552 -1.136 1.00 . A A . 9 ARG O 1 1 26 8524 1 1 11 ILE C C 0.213 0.600 1.770 1.00 . A A . 10 ILE C 1 1 26 8525 1 1 11 ILE CA C -0.655 1.834 1.351 1.00 . A A . 10 ILE CA 1 1 26 8526 1 1 11 ILE CB C -1.604 2.408 2.449 1.00 . A A . 10 ILE CB 1 1 26 8527 1 1 11 ILE CD1 C -3.289 4.350 2.819 1.00 . A A . 10 ILE CD1 1 1 26 8528 1 1 11 ILE CG1 C -2.044 3.853 2.090 1.00 . A A . 10 ILE CG1 1 1 26 8529 1 1 11 ILE CG2 C -1.115 2.313 3.905 1.00 . A A . 10 ILE CG2 1 1 26 8530 1 1 11 ILE H H -2.538 1.805 0.237 1.00 . A A . 10 ILE H 1 1 26 8531 1 1 11 ILE HA H 0.038 2.624 1.055 1.00 . A A . 10 ILE HA 1 1 26 8532 1 1 11 ILE HB H -2.488 1.766 2.435 1.00 . A A . 10 ILE HB 1 1 26 8533 1 1 11 ILE HD11 H -4.100 3.603 2.764 1.00 . A A . 10 ILE HD11 1 1 26 8534 1 1 11 ILE HD12 H -3.079 4.541 3.883 1.00 . A A . 10 ILE HD12 1 1 26 8535 1 1 11 ILE HD13 H -3.659 5.277 2.351 1.00 . A A . 10 ILE HD13 1 1 26 8536 1 1 11 ILE HG12 H -1.197 4.543 2.219 1.00 . A A . 10 ILE HG12 1 1 26 8537 1 1 11 ILE HG13 H -2.289 3.903 1.015 1.00 . A A . 10 ILE HG13 1 1 26 8538 1 1 11 ILE HG21 H -1.891 2.673 4.605 1.00 . A A . 10 ILE HG21 1 1 26 8539 1 1 11 ILE HG22 H -0.930 1.258 4.180 1.00 . A A . 10 ILE HG22 1 1 26 8540 1 1 11 ILE HG23 H -0.191 2.890 4.061 1.00 . A A . 10 ILE HG23 1 1 26 8541 1 1 11 ILE N N -1.534 1.557 0.167 1.00 . A A . 10 ILE N 1 1 26 8542 1 1 11 ILE O O 1.408 0.742 2.047 1.00 . A A . 10 ILE O 1 1 26 8543 1 1 12 GLY C C 1.397 -2.294 1.163 1.00 . A A . 11 GLY C 1 1 26 8544 1 1 12 GLY CA C 0.226 -1.874 2.090 1.00 . A A . 11 GLY CA 1 1 26 8545 1 1 12 GLY H H -1.433 -0.485 1.612 1.00 . A A . 11 GLY H 1 1 26 8546 1 1 12 GLY HA2 H 0.595 -1.811 3.125 1.00 . A A . 11 GLY HA2 1 1 26 8547 1 1 12 GLY HA3 H -0.539 -2.661 2.026 1.00 . A A . 11 GLY HA3 1 1 26 8548 1 1 12 GLY N N -0.427 -0.585 1.788 1.00 . A A . 11 GLY N 1 1 26 8549 1 1 12 GLY O O 2.203 -3.130 1.570 1.00 . A A . 11 GLY O 1 1 26 8550 1 1 13 LYS C C 2.811 -0.710 -1.892 1.00 . A A . 12 LYS C 1 1 26 8551 1 1 13 LYS CA C 2.471 -2.025 -1.096 1.00 . A A . 12 LYS CA 1 1 26 8552 1 1 13 LYS CB C 2.205 -3.257 -2.011 1.00 . A A . 12 LYS CB 1 1 26 8553 1 1 13 LYS CD C 2.109 -5.821 -2.292 1.00 . A A . 12 LYS CD 1 1 26 8554 1 1 13 LYS CE C 2.127 -7.212 -1.627 1.00 . A A . 12 LYS CE 1 1 26 8555 1 1 13 LYS CG C 2.237 -4.635 -1.312 1.00 . A A . 12 LYS CG 1 1 26 8556 1 1 13 LYS H H 0.553 -1.273 -0.308 1.00 . A A . 12 LYS H 1 1 26 8557 1 1 13 LYS HA H 3.410 -2.160 -0.534 1.00 . A A . 12 LYS HA 1 1 26 8558 1 1 13 LYS HB2 H 1.242 -3.128 -2.540 1.00 . A A . 12 LYS HB2 1 1 26 8559 1 1 13 LYS HB3 H 2.972 -3.276 -2.809 1.00 . A A . 12 LYS HB3 1 1 26 8560 1 1 13 LYS HD2 H 1.158 -5.718 -2.849 1.00 . A A . 12 LYS HD2 1 1 26 8561 1 1 13 LYS HD3 H 2.901 -5.766 -3.063 1.00 . A A . 12 LYS HD3 1 1 26 8562 1 1 13 LYS HE2 H 1.363 -7.269 -0.829 1.00 . A A . 12 LYS HE2 1 1 26 8563 1 1 13 LYS HE3 H 1.837 -7.975 -2.372 1.00 . A A . 12 LYS HE3 1 1 26 8564 1 1 13 LYS HG2 H 3.179 -4.731 -0.741 1.00 . A A . 12 LYS HG2 1 1 26 8565 1 1 13 LYS HG3 H 1.424 -4.692 -0.565 1.00 . A A . 12 LYS HG3 1 1 26 8566 1 1 13 LYS HZ1 H 3.738 -6.888 -0.374 1.00 . A A . 12 LYS HZ1 1 1 26 8567 1 1 13 LYS HZ3 H 4.158 -7.546 -1.810 1.00 . A A . 12 LYS HZ3 1 1 26 8568 1 1 13 LYS N N 1.404 -1.798 -0.089 1.00 . A A . 12 LYS N 1 1 26 8569 1 1 13 LYS NZ N 3.445 -7.580 -1.073 1.00 . A A . 12 LYS NZ 1 1 26 8570 1 1 13 LYS O O 3.008 -0.716 -3.111 1.00 . A A . 12 LYS O 1 1 26 8571 1 1 14 ASP C C 4.352 2.207 -0.677 1.00 . A A . 13 ASP C 1 1 26 8572 1 1 14 ASP CA C 3.294 1.759 -1.667 1.00 . A A . 13 ASP CA 1 1 26 8573 1 1 14 ASP CB C 2.116 2.715 -1.846 1.00 . A A . 13 ASP CB 1 1 26 8574 1 1 14 ASP CG C 2.395 3.944 -2.716 1.00 . A A . 13 ASP CG 1 1 26 8575 1 1 14 ASP H H 2.512 0.371 -0.216 1.00 . A A . 13 ASP H 1 1 26 8576 1 1 14 ASP HA H 3.848 1.647 -2.585 1.00 . A A . 13 ASP HA 1 1 26 8577 1 1 14 ASP HB2 H 1.268 2.148 -2.233 1.00 . A A . 13 ASP HB2 1 1 26 8578 1 1 14 ASP HB3 H 1.796 3.031 -0.853 1.00 . A A . 13 ASP HB3 1 1 26 8579 1 1 14 ASP HD2 H 2.388 4.459 -4.593 1.00 . A A . 13 ASP HD2 1 1 26 8580 1 1 14 ASP N N 2.927 0.416 -1.157 1.00 . A A . 13 ASP N 1 1 26 8581 1 1 14 ASP O O 5.478 2.441 -1.117 1.00 . A A . 13 ASP O 1 1 26 8582 1 1 14 ASP OD1 O 2.746 5.031 -2.259 1.00 . A A . 13 ASP OD1 1 1 26 8583 1 1 14 ASP OD2 O 2.211 3.687 -4.051 1.00 . A A . 13 ASP OD2 1 1 26 8584 1 1 15 VAL C C 5.366 1.534 2.531 1.00 . A A . 14 VAL C 1 1 26 8585 1 1 15 VAL CA C 5.017 2.776 1.631 1.00 . A A . 14 VAL CA 1 1 26 8586 1 1 15 VAL CB C 4.758 4.105 2.350 1.00 . A A . 14 VAL CB 1 1 26 8587 1 1 15 VAL CG1 C 4.714 5.248 1.324 1.00 . A A . 14 VAL CG1 1 1 26 8588 1 1 15 VAL CG2 C 3.501 4.073 3.236 1.00 . A A . 14 VAL CG2 1 1 26 8589 1 1 15 VAL H H 3.081 2.049 0.854 1.00 . A A . 14 VAL H 1 1 26 8590 1 1 15 VAL HA H 5.967 2.906 1.089 1.00 . A A . 14 VAL HA 1 1 26 8591 1 1 15 VAL HB H 5.656 4.266 2.971 1.00 . A A . 14 VAL HB 1 1 26 8592 1 1 15 VAL HG11 H 4.660 6.228 1.815 1.00 . A A . 14 VAL HG11 1 1 26 8593 1 1 15 VAL HG12 H 3.843 5.137 0.649 1.00 . A A . 14 VAL HG12 1 1 26 8594 1 1 15 VAL HG13 H 5.617 5.219 0.684 1.00 . A A . 14 VAL HG13 1 1 26 8595 1 1 15 VAL HG21 H 3.569 3.267 3.990 1.00 . A A . 14 VAL HG21 1 1 26 8596 1 1 15 VAL HG22 H 2.595 3.873 2.634 1.00 . A A . 14 VAL HG22 1 1 26 8597 1 1 15 VAL HG23 H 3.361 5.024 3.772 1.00 . A A . 14 VAL HG23 1 1 26 8598 1 1 15 VAL N N 3.992 2.425 0.605 1.00 . A A . 14 VAL N 1 1 26 8599 1 1 15 VAL O O 5.488 1.523 3.757 1.00 . A A . 14 VAL O 1 1 26 8600 1 1 16 TYR C C 6.914 -1.183 0.791 1.00 . A A . 15 TYR C 1 1 26 8601 1 1 16 TYR CA C 5.999 -0.857 2.004 1.00 . A A . 15 TYR CA 1 1 26 8602 1 1 16 TYR CB C 4.847 -1.837 2.270 1.00 . A A . 15 TYR CB 1 1 26 8603 1 1 16 TYR CD1 C 5.835 -3.632 3.774 1.00 . A A . 15 TYR CD1 1 1 26 8604 1 1 16 TYR CD2 C 5.354 -4.204 1.476 1.00 . A A . 15 TYR CD2 1 1 26 8605 1 1 16 TYR CE1 C 6.362 -4.904 3.980 1.00 . A A . 15 TYR CE1 1 1 26 8606 1 1 16 TYR CE2 C 5.880 -5.476 1.684 1.00 . A A . 15 TYR CE2 1 1 26 8607 1 1 16 TYR CG C 5.321 -3.276 2.524 1.00 . A A . 15 TYR CG 1 1 26 8608 1 1 16 TYR CZ C 6.382 -5.829 2.936 1.00 . A A . 15 TYR CZ 1 1 26 8609 1 1 16 TYR H H 5.144 0.796 0.812 1.00 . A A . 15 TYR H 1 1 26 8610 1 1 16 TYR HA H 6.643 -0.811 2.877 1.00 . A A . 15 TYR HA 1 1 26 8611 1 1 16 TYR HB2 H 4.242 -1.484 3.128 1.00 . A A . 15 TYR HB2 1 1 26 8612 1 1 16 TYR HB3 H 4.168 -1.789 1.409 1.00 . A A . 15 TYR HB3 1 1 26 8613 1 1 16 TYR HD1 H 5.870 -2.907 4.573 1.00 . A A . 15 TYR HD1 1 1 26 8614 1 1 16 TYR HD2 H 5.022 -3.926 0.485 1.00 . A A . 15 TYR HD2 1 1 26 8615 1 1 16 TYR HE1 H 6.777 -5.151 4.946 1.00 . A A . 15 TYR HE1 1 1 26 8616 1 1 16 TYR HE2 H 5.921 -6.170 0.859 1.00 . A A . 15 TYR HE2 1 1 26 8617 1 1 16 TYR HH H 6.862 -7.574 2.315 1.00 . A A . 15 TYR HH 1 1 26 8618 1 1 16 TYR N N 5.586 0.516 1.718 1.00 . A A . 15 TYR N 1 1 26 8619 1 1 16 TYR O O 7.996 -1.733 1.013 1.00 . A A . 15 TYR O 1 1 26 8620 1 1 16 TYR OH O 6.920 -7.075 3.133 1.00 . A A . 15 TYR OH 1 1 26 8621 1 1 17 ASP C C 8.410 -0.027 -1.741 1.00 . A A . 16 ASP C 1 1 26 8622 1 1 17 ASP CA C 7.345 -1.159 -1.652 1.00 . A A . 16 ASP CA 1 1 26 8623 1 1 17 ASP CB C 6.517 -1.427 -2.915 1.00 . A A . 16 ASP CB 1 1 26 8624 1 1 17 ASP CG C 7.312 -1.963 -4.112 1.00 . A A . 16 ASP CG 1 1 26 8625 1 1 17 ASP H H 5.634 -0.349 -0.509 1.00 . A A . 16 ASP H 1 1 26 8626 1 1 17 ASP HA H 7.935 -2.032 -1.411 1.00 . A A . 16 ASP HA 1 1 26 8627 1 1 17 ASP HB2 H 5.685 -2.124 -2.697 1.00 . A A . 16 ASP HB2 1 1 26 8628 1 1 17 ASP HB3 H 6.046 -0.481 -3.185 1.00 . A A . 16 ASP HB3 1 1 26 8629 1 1 17 ASP HD2 H 7.068 -3.704 -3.276 1.00 . A A . 16 ASP HD2 1 1 26 8630 1 1 17 ASP N N 6.480 -0.937 -0.476 1.00 . A A . 16 ASP N 1 1 26 8631 1 1 17 ASP O O 9.545 -0.338 -2.110 1.00 . A A . 16 ASP O 1 1 26 8632 1 1 17 ASP OD1 O 7.749 -1.246 -5.011 1.00 . A A . 16 ASP OD1 1 1 26 8633 1 1 17 ASP OD2 O 7.480 -3.323 -4.055 1.00 . A A . 16 ASP OD2 1 1 26 8634 1 1 18 LYS C C 10.115 2.157 -0.241 1.00 . A A . 17 LYS C 1 1 26 8635 1 1 18 LYS CA C 9.076 2.349 -1.412 1.00 . A A . 17 LYS CA 1 1 26 8636 1 1 18 LYS CB C 8.326 3.706 -1.347 1.00 . A A . 17 LYS CB 1 1 26 8637 1 1 18 LYS CD C 8.443 6.314 -1.425 1.00 . A A . 17 LYS CD 1 1 26 8638 1 1 18 LYS CE C 7.396 6.690 -2.497 1.00 . A A . 17 LYS CE 1 1 26 8639 1 1 18 LYS CG C 9.183 4.967 -1.600 1.00 . A A . 17 LYS CG 1 1 26 8640 1 1 18 LYS H H 7.129 1.422 -1.069 1.00 . A A . 17 LYS H 1 1 26 8641 1 1 18 LYS HA H 9.611 2.289 -2.369 1.00 . A A . 17 LYS HA 1 1 26 8642 1 1 18 LYS HB2 H 7.522 3.702 -2.107 1.00 . A A . 17 LYS HB2 1 1 26 8643 1 1 18 LYS HB3 H 7.810 3.801 -0.372 1.00 . A A . 17 LYS HB3 1 1 26 8644 1 1 18 LYS HD2 H 8.003 6.380 -0.411 1.00 . A A . 17 LYS HD2 1 1 26 8645 1 1 18 LYS HD3 H 9.215 7.105 -1.436 1.00 . A A . 17 LYS HD3 1 1 26 8646 1 1 18 LYS HE2 H 7.235 7.783 -2.474 1.00 . A A . 17 LYS HE2 1 1 26 8647 1 1 18 LYS HE3 H 7.780 6.469 -3.511 1.00 . A A . 17 LYS HE3 1 1 26 8648 1 1 18 LYS HG2 H 10.038 4.965 -0.900 1.00 . A A . 17 LYS HG2 1 1 26 8649 1 1 18 LYS HG3 H 9.635 4.917 -2.608 1.00 . A A . 17 LYS HG3 1 1 26 8650 1 1 18 LYS HZ1 H 5.715 6.253 -1.378 1.00 . A A . 17 LYS HZ1 1 1 26 8651 1 1 18 LYS HZ3 H 6.199 5.014 -2.328 1.00 . A A . 17 LYS HZ3 1 1 26 8652 1 1 18 LYS N N 8.084 1.251 -1.418 1.00 . A A . 17 LYS N 1 1 26 8653 1 1 18 LYS NZ N 6.087 6.034 -2.309 1.00 . A A . 17 LYS NZ 1 1 26 8654 1 1 18 LYS O O 11.241 2.646 -0.368 1.00 . A A . 17 LYS O 1 1 26 8655 1 1 19 VAL C C 11.599 -0.023 1.693 1.00 . A A . 18 VAL C 1 1 26 8656 1 1 19 VAL CA C 10.656 1.164 2.007 1.00 . A A . 18 VAL CA 1 1 26 8657 1 1 19 VAL CB C 9.931 1.072 3.386 1.00 . A A . 18 VAL CB 1 1 26 8658 1 1 19 VAL CG1 C 8.872 2.168 3.643 1.00 . A A . 18 VAL CG1 1 1 26 8659 1 1 19 VAL CG2 C 9.366 -0.288 3.835 1.00 . A A . 18 VAL CG2 1 1 26 8660 1 1 19 VAL H H 8.910 0.879 0.798 1.00 . A A . 18 VAL H 1 1 26 8661 1 1 19 VAL HA H 11.316 2.024 2.059 1.00 . A A . 18 VAL HA 1 1 26 8662 1 1 19 VAL HB H 10.749 1.244 4.061 1.00 . A A . 18 VAL HB 1 1 26 8663 1 1 19 VAL HG11 H 9.282 3.179 3.480 1.00 . A A . 18 VAL HG11 1 1 26 8664 1 1 19 VAL HG12 H 8.473 2.132 4.674 1.00 . A A . 18 VAL HG12 1 1 26 8665 1 1 19 VAL HG13 H 8.011 2.053 2.962 1.00 . A A . 18 VAL HG13 1 1 26 8666 1 1 19 VAL HG21 H 10.180 -1.020 3.988 1.00 . A A . 18 VAL HG21 1 1 26 8667 1 1 19 VAL HG22 H 8.813 -0.227 4.789 1.00 . A A . 18 VAL HG22 1 1 26 8668 1 1 19 VAL HG23 H 8.702 -0.707 3.075 1.00 . A A . 18 VAL HG23 1 1 26 8669 1 1 19 VAL N N 9.756 1.450 0.871 1.00 . A A . 18 VAL N 1 1 26 8670 1 1 19 VAL O O 12.820 0.104 1.832 1.00 . A A . 18 VAL O 1 1 26 8671 1 1 20 LYS C C 12.741 -2.141 -0.352 1.00 . A A . 19 LYS C 1 1 26 8672 1 1 20 LYS CA C 11.770 -2.376 0.872 1.00 . A A . 19 LYS CA 1 1 26 8673 1 1 20 LYS CB C 10.736 -3.511 0.614 1.00 . A A . 19 LYS CB 1 1 26 8674 1 1 20 LYS CD C 11.994 -5.563 1.618 1.00 . A A . 19 LYS CD 1 1 26 8675 1 1 20 LYS CE C 12.479 -7.013 1.419 1.00 . A A . 19 LYS CE 1 1 26 8676 1 1 20 LYS CG C 11.278 -4.943 0.395 1.00 . A A . 19 LYS CG 1 1 26 8677 1 1 20 LYS H H 9.987 -1.115 1.358 1.00 . A A . 19 LYS H 1 1 26 8678 1 1 20 LYS HA H 12.377 -2.662 1.747 1.00 . A A . 19 LYS HA 1 1 26 8679 1 1 20 LYS HB2 H 10.017 -3.561 1.455 1.00 . A A . 19 LYS HB2 1 1 26 8680 1 1 20 LYS HB3 H 10.118 -3.243 -0.265 1.00 . A A . 19 LYS HB3 1 1 26 8681 1 1 20 LYS HD2 H 12.875 -4.943 1.864 1.00 . A A . 19 LYS HD2 1 1 26 8682 1 1 20 LYS HD3 H 11.342 -5.505 2.511 1.00 . A A . 19 LYS HD3 1 1 26 8683 1 1 20 LYS HE2 H 13.088 -7.096 0.499 1.00 . A A . 19 LYS HE2 1 1 26 8684 1 1 20 LYS HE3 H 13.155 -7.288 2.249 1.00 . A A . 19 LYS HE3 1 1 26 8685 1 1 20 LYS HG2 H 10.424 -5.588 0.114 1.00 . A A . 19 LYS HG2 1 1 26 8686 1 1 20 LYS HG3 H 11.949 -4.963 -0.484 1.00 . A A . 19 LYS HG3 1 1 26 8687 1 1 20 LYS HZ1 H 10.772 -7.807 0.565 1.00 . A A . 19 LYS HZ1 1 1 26 8688 1 1 20 LYS HZ3 H 11.755 -8.938 1.218 1.00 . A A . 19 LYS HZ3 1 1 26 8689 1 1 20 LYS N N 11.011 -1.161 1.276 1.00 . A A . 19 LYS N 1 1 26 8690 1 1 20 LYS NZ N 11.378 -7.996 1.371 1.00 . A A . 19 LYS NZ 1 1 26 8691 1 1 20 LYS O O 13.657 -2.939 -0.565 1.00 . A A . 19 LYS O 1 1 26 8692 1 1 21 GLU C C 14.572 0.216 -1.828 1.00 . A A . 20 GLU C 1 1 26 8693 1 1 21 GLU CA C 13.370 -0.647 -2.274 1.00 . A A . 20 GLU CA 1 1 26 8694 1 1 21 GLU CB C 12.450 -0.035 -3.347 1.00 . A A . 20 GLU CB 1 1 26 8695 1 1 21 GLU CD C 12.128 0.865 -5.716 1.00 . A A . 20 GLU CD 1 1 26 8696 1 1 21 GLU CG C 13.120 0.312 -4.691 1.00 . A A . 20 GLU CG 1 1 26 8697 1 1 21 GLU H H 11.924 -0.346 -0.696 1.00 . A A . 20 GLU H 1 1 26 8698 1 1 21 GLU HA H 13.769 -1.544 -2.691 1.00 . A A . 20 GLU HA 1 1 26 8699 1 1 21 GLU HB2 H 11.611 -0.731 -3.529 1.00 . A A . 20 GLU HB2 1 1 26 8700 1 1 21 GLU HB3 H 11.994 0.864 -2.917 1.00 . A A . 20 GLU HB3 1 1 26 8701 1 1 21 GLU HE2 H 12.494 2.589 -4.890 1.00 . A A . 20 GLU HE2 1 1 26 8702 1 1 21 GLU HG2 H 13.930 1.048 -4.530 1.00 . A A . 20 GLU HG2 1 1 26 8703 1 1 21 GLU HG3 H 13.608 -0.588 -5.107 1.00 . A A . 20 GLU HG3 1 1 26 8704 1 1 21 GLU N N 12.538 -1.047 -1.127 1.00 . A A . 20 GLU N 1 1 26 8705 1 1 21 GLU O O 15.730 -0.187 -1.947 1.00 . A A . 20 GLU O 1 1 26 8706 1 1 21 GLU OE1 O 11.553 0.164 -6.548 1.00 . A A . 20 GLU OE1 1 1 26 8707 1 1 21 GLU OE2 O 11.959 2.221 -5.597 1.00 . A A . 20 GLU OE2 1 1 26 8708 1 1 22 NH2 HN1 H 14.351 1.113 -0.221 1.00 . A A . 21 NH2 HN1 1 1 26 8709 1 1 22 NH2 HN2 H 13.481 1.801 -1.599 1.00 . A A . 21 NH2 HN2 1 1 26 8710 1 1 22 NH2 N N 14.322 1.355 -1.213 1.00 . A A . 21 NH2 N 1 1 27 8711 1 1 2 GLU C C -13.832 -2.335 -0.063 1.00 . A A . 1 ACE C 1 1 27 8712 1 1 2 GLU CA C -14.237 -0.280 -1.441 1.00 . A A . 1 ACE CA 1 1 27 8713 1 1 2 GLU CB C -15.574 0.207 -0.790 1.00 . A A . 1 ACE CB 1 1 27 8714 1 1 2 GLU CD C -17.415 -1.606 -1.183 1.00 . A A . 1 ACE CD 1 1 27 8715 1 1 2 GLU CG C -16.914 -0.184 -1.457 1.00 . A A . 1 ACE CG 1 1 27 8716 1 1 2 GLU H H -15.012 -2.211 -1.611 1.00 . A A . 1 ACE H 1 1 27 8717 1 1 2 GLU HA H -14.345 -0.115 -2.527 1.00 . A A . 1 ACE HA 1 1 27 8718 1 1 2 GLU HB2 H -15.561 -0.064 0.282 1.00 . A A . 1 ACE HB2 1 1 27 8719 1 1 2 GLU HB3 H -15.576 1.300 -0.814 1.00 . A A . 1 ACE HB3 1 1 27 8720 1 1 2 GLU HE2 H -18.204 -2.645 0.262 1.00 . A A . 1 ACE HE2 1 1 27 8721 1 1 2 GLU HG2 H -17.689 0.525 -1.110 1.00 . A A . 1 ACE HG2 1 1 27 8722 1 1 2 GLU HG3 H -16.840 -0.012 -2.547 1.00 . A A . 1 ACE HG3 1 1 27 8723 1 1 2 GLU N N -14.193 -1.746 -1.221 1.00 . A A . 1 ACE N 1 1 27 8724 1 1 2 GLU O O -13.313 -1.747 0.890 1.00 . A A . 1 ACE O 1 1 27 8725 1 1 2 GLU OE1 O -17.384 -2.508 -2.020 1.00 . A A . 1 ACE OE1 1 1 27 8726 1 1 2 GLU OE2 O -17.893 -1.752 0.094 1.00 . A A . 1 ACE OE2 1 1 27 8727 1 1 3 SER C C -11.003 2.077 0.795 1.00 . A A . 2 SER C 1 1 27 8728 1 1 3 SER CA C -11.979 2.668 -0.244 1.00 . A A . 2 SER CA 1 1 27 8729 1 1 3 SER CB C -12.618 3.956 0.286 1.00 . A A . 2 SER CB 1 1 27 8730 1 1 3 SER H H -14.051 2.075 -0.717 1.00 . A A . 2 SER H 1 1 27 8731 1 1 3 SER HA H -11.415 2.961 -1.130 1.00 . A A . 2 SER HA 1 1 27 8732 1 1 3 SER HB2 H -13.498 4.242 -0.306 1.00 . A A . 2 SER HB2 1 1 27 8733 1 1 3 SER HB3 H -13.003 3.767 1.289 1.00 . A A . 2 SER HB3 1 1 27 8734 1 1 3 SER HG H -12.162 5.782 0.680 1.00 . A A . 2 SER HG 1 1 27 8735 1 1 3 SER N N -13.078 1.763 -0.674 1.00 . A A . 2 SER N 1 1 27 8736 1 1 3 SER O O -9.798 2.306 0.702 1.00 . A A . 2 SER O 1 1 27 8737 1 1 3 SER OG O -11.686 5.030 0.321 1.00 . A A . 2 SER OG 1 1 27 8738 1 1 4 ALA C C -9.986 -0.674 2.467 1.00 . A A . 3 ALA C 1 1 27 8739 1 1 4 ALA CA C -10.727 0.657 2.815 1.00 . A A . 3 ALA CA 1 1 27 8740 1 1 4 ALA CB C -11.566 0.523 4.084 1.00 . A A . 3 ALA CB 1 1 27 8741 1 1 4 ALA H H -12.576 1.332 1.699 1.00 . A A . 3 ALA H 1 1 27 8742 1 1 4 ALA HA H -9.874 1.332 2.954 1.00 . A A . 3 ALA HA 1 1 27 8743 1 1 4 ALA HB1 H -12.401 -0.186 3.922 1.00 . A A . 3 ALA HB1 1 1 27 8744 1 1 4 ALA HB2 H -11.991 1.495 4.389 1.00 . A A . 3 ALA HB2 1 1 27 8745 1 1 4 ALA HB3 H -10.954 0.144 4.920 1.00 . A A . 3 ALA HB3 1 1 27 8746 1 1 4 ALA N N -11.551 1.339 1.777 1.00 . A A . 3 ALA N 1 1 27 8747 1 1 4 ALA O O -9.413 -1.363 3.315 1.00 . A A . 3 ALA O 1 1 27 8748 1 1 5 LYS C C -8.861 -1.678 -0.956 1.00 . A A . 4 LYS C 1 1 27 8749 1 1 5 LYS CA C -9.397 -2.103 0.474 1.00 . A A . 4 LYS CA 1 1 27 8750 1 1 5 LYS CB C -10.278 -3.373 0.393 1.00 . A A . 4 LYS CB 1 1 27 8751 1 1 5 LYS CD C -9.516 -4.720 2.481 1.00 . A A . 4 LYS CD 1 1 27 8752 1 1 5 LYS CE C -9.974 -5.407 3.779 1.00 . A A . 4 LYS CE 1 1 27 8753 1 1 5 LYS CG C -10.685 -4.072 1.710 1.00 . A A . 4 LYS CG 1 1 27 8754 1 1 5 LYS H H -10.589 -0.265 0.706 1.00 . A A . 4 LYS H 1 1 27 8755 1 1 5 LYS HA H -8.466 -2.266 1.037 1.00 . A A . 4 LYS HA 1 1 27 8756 1 1 5 LYS HB2 H -11.184 -3.103 -0.176 1.00 . A A . 4 LYS HB2 1 1 27 8757 1 1 5 LYS HB3 H -9.763 -4.116 -0.241 1.00 . A A . 4 LYS HB3 1 1 27 8758 1 1 5 LYS HD2 H -9.009 -5.454 1.825 1.00 . A A . 4 LYS HD2 1 1 27 8759 1 1 5 LYS HD3 H -8.756 -3.951 2.718 1.00 . A A . 4 LYS HD3 1 1 27 8760 1 1 5 LYS HE2 H -10.469 -4.679 4.448 1.00 . A A . 4 LYS HE2 1 1 27 8761 1 1 5 LYS HE3 H -10.726 -6.188 3.559 1.00 . A A . 4 LYS HE3 1 1 27 8762 1 1 5 LYS HG2 H -11.225 -3.359 2.361 1.00 . A A . 4 LYS HG2 1 1 27 8763 1 1 5 LYS HG3 H -11.428 -4.855 1.468 1.00 . A A . 4 LYS HG3 1 1 27 8764 1 1 5 LYS HZ1 H -8.134 -5.311 4.710 1.00 . A A . 4 LYS HZ1 1 1 27 8765 1 1 5 LYS HZ3 H -8.371 -6.704 3.888 1.00 . A A . 4 LYS HZ3 1 1 27 8766 1 1 5 LYS N N -10.038 -0.974 1.181 1.00 . A A . 4 LYS N 1 1 27 8767 1 1 5 LYS NZ N -8.841 -6.022 4.494 1.00 . A A . 4 LYS NZ 1 1 27 8768 1 1 5 LYS O O -8.625 -2.504 -1.841 1.00 . A A . 4 LYS O 1 1 27 8769 1 1 6 HIS C C -7.015 1.260 -1.766 1.00 . A A . 5 HIS C 1 1 27 8770 1 1 6 HIS CA C -8.145 0.342 -2.319 1.00 . A A . 5 HIS CA 1 1 27 8771 1 1 6 HIS CB C -9.188 1.102 -3.180 1.00 . A A . 5 HIS CB 1 1 27 8772 1 1 6 HIS CD2 C -10.087 -1.080 -4.345 1.00 . A A . 5 HIS CD2 1 1 27 8773 1 1 6 HIS CE1 C -11.992 -0.371 -4.887 1.00 . A A . 5 HIS CE1 1 1 27 8774 1 1 6 HIS CG C -10.229 0.255 -3.919 1.00 . A A . 5 HIS CG 1 1 27 8775 1 1 6 HIS H H -9.282 0.124 -0.457 1.00 . A A . 5 HIS H 1 1 27 8776 1 1 6 HIS HA H -7.604 -0.405 -2.906 1.00 . A A . 5 HIS HA 1 1 27 8777 1 1 6 HIS HB2 H -9.705 1.848 -2.547 1.00 . A A . 5 HIS HB2 1 1 27 8778 1 1 6 HIS HB3 H -8.652 1.701 -3.940 1.00 . A A . 5 HIS HB3 1 1 27 8779 1 1 6 HIS HD2 H -9.208 -1.692 -4.205 1.00 . A A . 5 HIS HD2 1 1 27 8780 1 1 6 HIS HE1 H -12.992 -0.352 -5.296 1.00 . A A . 5 HIS HE1 1 1 27 8781 1 1 6 HIS HE2 H -11.465 -2.420 -5.390 1.00 . A A . 5 HIS HE2 1 1 27 8782 1 1 6 HIS N N -8.685 -0.361 -1.136 1.00 . A A . 5 HIS N 1 1 27 8783 1 1 6 HIS ND1 N -11.476 0.753 -4.290 1.00 . A A . 5 HIS ND1 1 1 27 8784 1 1 6 HIS NE2 N -11.240 -1.511 -4.971 1.00 . A A . 5 HIS NE2 1 1 27 8785 1 1 6 HIS O O -5.928 1.274 -2.347 1.00 . A A . 5 HIS O 1 1 27 8786 1 1 7 MET C C -5.341 1.924 0.751 1.00 . A A . 6 MET C 1 1 27 8787 1 1 7 MET CA C -6.249 2.903 -0.026 1.00 . A A . 6 MET CA 1 1 27 8788 1 1 7 MET CB C -6.859 4.023 0.855 1.00 . A A . 6 MET CB 1 1 27 8789 1 1 7 MET CE C -8.965 7.359 -0.539 1.00 . A A . 6 MET CE 1 1 27 8790 1 1 7 MET CG C -7.950 4.858 0.163 1.00 . A A . 6 MET CG 1 1 27 8791 1 1 7 MET H H -8.123 1.881 -0.172 1.00 . A A . 6 MET H 1 1 27 8792 1 1 7 MET HA H -5.613 3.325 -0.808 1.00 . A A . 6 MET HA 1 1 27 8793 1 1 7 MET HB2 H -7.281 3.602 1.788 1.00 . A A . 6 MET HB2 1 1 27 8794 1 1 7 MET HB3 H -6.044 4.691 1.186 1.00 . A A . 6 MET HB3 1 1 27 8795 1 1 7 MET HE1 H -8.956 8.459 -0.435 1.00 . A A . 6 MET HE1 1 1 27 8796 1 1 7 MET HE2 H -9.987 7.005 -0.315 1.00 . A A . 6 MET HE2 1 1 27 8797 1 1 7 MET HE3 H -8.734 7.113 -1.591 1.00 . A A . 6 MET HE3 1 1 27 8798 1 1 7 MET HG2 H -7.909 4.698 -0.929 1.00 . A A . 6 MET HG2 1 1 27 8799 1 1 7 MET HG3 H -8.950 4.503 0.471 1.00 . A A . 6 MET HG3 1 1 27 8800 1 1 7 MET N N -7.258 2.050 -0.685 1.00 . A A . 6 MET N 1 1 27 8801 1 1 7 MET O O -4.138 1.988 0.543 1.00 . A A . 6 MET O 1 1 27 8802 1 1 7 MET SD S -7.763 6.611 0.578 1.00 . A A . 6 MET SD 1 1 27 8803 1 1 8 PHE C C -4.374 -0.982 1.362 1.00 . A A . 7 PHE C 1 1 27 8804 1 1 8 PHE CA C -5.115 -0.009 2.330 1.00 . A A . 7 PHE CA 1 1 27 8805 1 1 8 PHE CB C -6.081 -0.767 3.267 1.00 . A A . 7 PHE CB 1 1 27 8806 1 1 8 PHE CD1 C -5.420 -0.440 5.696 1.00 . A A . 7 PHE CD1 1 1 27 8807 1 1 8 PHE CD2 C -7.278 0.837 4.829 1.00 . A A . 7 PHE CD2 1 1 27 8808 1 1 8 PHE CE1 C -5.573 0.181 6.931 1.00 . A A . 7 PHE CE1 1 1 27 8809 1 1 8 PHE CE2 C -7.431 1.455 6.064 1.00 . A A . 7 PHE CE2 1 1 27 8810 1 1 8 PHE CG C -6.271 -0.114 4.637 1.00 . A A . 7 PHE CG 1 1 27 8811 1 1 8 PHE CZ C -6.579 1.128 7.118 1.00 . A A . 7 PHE CZ 1 1 27 8812 1 1 8 PHE H H -6.903 0.939 1.534 1.00 . A A . 7 PHE H 1 1 27 8813 1 1 8 PHE HA H -4.348 0.518 2.903 1.00 . A A . 7 PHE HA 1 1 27 8814 1 1 8 PHE HB2 H -7.048 -0.829 2.760 1.00 . A A . 7 PHE HB2 1 1 27 8815 1 1 8 PHE HB3 H -5.796 -1.830 3.385 1.00 . A A . 7 PHE HB3 1 1 27 8816 1 1 8 PHE HD1 H -4.629 -1.166 5.563 1.00 . A A . 7 PHE HD1 1 1 27 8817 1 1 8 PHE HD2 H -7.937 1.112 4.018 1.00 . A A . 7 PHE HD2 1 1 27 8818 1 1 8 PHE HE1 H -4.898 -0.077 7.730 1.00 . A A . 7 PHE HE1 1 1 27 8819 1 1 8 PHE HE2 H -8.210 2.193 6.182 1.00 . A A . 7 PHE HE2 1 1 27 8820 1 1 8 PHE HZ H -6.695 1.612 8.077 1.00 . A A . 7 PHE HZ 1 1 27 8821 1 1 8 PHE N N -5.889 1.021 1.596 1.00 . A A . 7 PHE N 1 1 27 8822 1 1 8 PHE O O -3.281 -1.438 1.701 1.00 . A A . 7 PHE O 1 1 27 8823 1 1 9 ASP C C -3.051 -1.443 -1.400 1.00 . A A . 8 ASP C 1 1 27 8824 1 1 9 ASP CA C -4.321 -2.167 -0.848 1.00 . A A . 8 ASP CA 1 1 27 8825 1 1 9 ASP CB C -5.331 -2.467 -1.978 1.00 . A A . 8 ASP CB 1 1 27 8826 1 1 9 ASP CG C -4.913 -3.573 -2.957 1.00 . A A . 8 ASP CG 1 1 27 8827 1 1 9 ASP H H -5.967 -1.032 0.182 1.00 . A A . 8 ASP H 1 1 27 8828 1 1 9 ASP HA H -4.077 -3.144 -0.385 1.00 . A A . 8 ASP HA 1 1 27 8829 1 1 9 ASP HB2 H -6.278 -2.757 -1.514 1.00 . A A . 8 ASP HB2 1 1 27 8830 1 1 9 ASP HB3 H -5.571 -1.551 -2.548 1.00 . A A . 8 ASP HB3 1 1 27 8831 1 1 9 ASP HD2 H -4.959 -5.513 -3.106 1.00 . A A . 8 ASP HD2 1 1 27 8832 1 1 9 ASP N N -4.968 -1.299 0.184 1.00 . A A . 8 ASP N 1 1 27 8833 1 1 9 ASP O O -1.977 -2.047 -1.459 1.00 . A A . 8 ASP O 1 1 27 8834 1 1 9 ASP OD1 O -4.360 -3.349 -4.033 1.00 . A A . 8 ASP OD1 1 1 27 8835 1 1 9 ASP OD2 O -5.224 -4.825 -2.491 1.00 . A A . 8 ASP OD2 1 1 27 8836 1 1 10 ARG C C -1.060 0.915 -1.158 1.00 . A A . 9 ARG C 1 1 27 8837 1 1 10 ARG CA C -2.105 0.711 -2.274 1.00 . A A . 9 ARG CA 1 1 27 8838 1 1 10 ARG CB C -2.601 2.066 -2.823 1.00 . A A . 9 ARG CB 1 1 27 8839 1 1 10 ARG CD C -3.947 3.303 -4.683 1.00 . A A . 9 ARG CD 1 1 27 8840 1 1 10 ARG CG C -3.304 1.984 -4.200 1.00 . A A . 9 ARG CG 1 1 27 8841 1 1 10 ARG CZ C -2.612 5.419 -4.368 1.00 . A A . 9 ARG CZ 1 1 27 8842 1 1 10 ARG H H -4.186 0.181 -1.701 1.00 . A A . 9 ARG H 1 1 27 8843 1 1 10 ARG HA H -1.596 0.147 -3.057 1.00 . A A . 9 ARG HA 1 1 27 8844 1 1 10 ARG HB2 H -3.268 2.548 -2.082 1.00 . A A . 9 ARG HB2 1 1 27 8845 1 1 10 ARG HB3 H -1.736 2.748 -2.917 1.00 . A A . 9 ARG HB3 1 1 27 8846 1 1 10 ARG HD2 H -4.571 3.080 -5.568 1.00 . A A . 9 ARG HD2 1 1 27 8847 1 1 10 ARG HD3 H -4.664 3.682 -3.930 1.00 . A A . 9 ARG HD3 1 1 27 8848 1 1 10 ARG HG2 H -2.593 1.609 -4.961 1.00 . A A . 9 ARG HG2 1 1 27 8849 1 1 10 ARG HG3 H -4.098 1.217 -4.155 1.00 . A A . 9 ARG HG3 1 1 27 8850 1 1 10 ARG HH11 H -3.829 5.068 -2.804 1.00 . A A . 9 ARG HH11 1 1 27 8851 1 1 10 ARG HH12 H -2.784 6.574 -2.728 1.00 . A A . 9 ARG HH12 1 1 27 8852 1 1 10 ARG HH21 H -1.322 5.988 -5.789 1.00 . A A . 9 ARG HH21 1 1 27 8853 1 1 10 ARG HH22 H -1.462 7.057 -4.304 1.00 . A A . 9 ARG HH22 1 1 27 8854 1 1 10 ARG N N -3.211 -0.149 -1.785 1.00 . A A . 9 ARG N 1 1 27 8855 1 1 10 ARG NE N -2.954 4.333 -5.090 1.00 . A A . 9 ARG NE 1 1 27 8856 1 1 10 ARG NH1 N -3.128 5.718 -3.177 1.00 . A A . 9 ARG NH1 1 1 27 8857 1 1 10 ARG NH2 N -1.707 6.238 -4.871 1.00 . A A . 9 ARG NH2 1 1 27 8858 1 1 10 ARG O O 0.089 0.516 -1.342 1.00 . A A . 9 ARG O 1 1 27 8859 1 1 11 ILE C C 0.278 0.415 1.558 1.00 . A A . 10 ILE C 1 1 27 8860 1 1 11 ILE CA C -0.582 1.675 1.201 1.00 . A A . 10 ILE CA 1 1 27 8861 1 1 11 ILE CB C -1.527 2.197 2.327 1.00 . A A . 10 ILE CB 1 1 27 8862 1 1 11 ILE CD1 C -3.204 4.125 2.796 1.00 . A A . 10 ILE CD1 1 1 27 8863 1 1 11 ILE CG1 C -1.961 3.661 2.043 1.00 . A A . 10 ILE CG1 1 1 27 8864 1 1 11 ILE CG2 C -1.037 2.026 3.775 1.00 . A A . 10 ILE CG2 1 1 27 8865 1 1 11 ILE H H -2.463 1.717 0.083 1.00 . A A . 10 ILE H 1 1 27 8866 1 1 11 ILE HA H 0.117 2.475 0.946 1.00 . A A . 10 ILE HA 1 1 27 8867 1 1 11 ILE HB H -2.414 1.561 2.280 1.00 . A A . 10 ILE HB 1 1 27 8868 1 1 11 ILE HD11 H -4.018 3.385 2.701 1.00 . A A . 10 ILE HD11 1 1 27 8869 1 1 11 ILE HD12 H -2.994 4.259 3.868 1.00 . A A . 10 ILE HD12 1 1 27 8870 1 1 11 ILE HD13 H -3.569 5.076 2.376 1.00 . A A . 10 ILE HD13 1 1 27 8871 1 1 11 ILE HG12 H -1.111 4.341 2.205 1.00 . A A . 10 ILE HG12 1 1 27 8872 1 1 11 ILE HG13 H -2.208 3.768 0.973 1.00 . A A . 10 ILE HG13 1 1 27 8873 1 1 11 ILE HG21 H -0.858 0.957 3.996 1.00 . A A . 10 ILE HG21 1 1 27 8874 1 1 11 ILE HG22 H -0.108 2.587 3.957 1.00 . A A . 10 ILE HG22 1 1 27 8875 1 1 11 ILE HG23 H -1.808 2.355 4.494 1.00 . A A . 10 ILE HG23 1 1 27 8876 1 1 11 ILE N N -1.459 1.470 0.001 1.00 . A A . 10 ILE N 1 1 27 8877 1 1 11 ILE O O 1.471 0.535 1.849 1.00 . A A . 10 ILE O 1 1 27 8878 1 1 12 GLY C C 1.456 -2.441 0.809 1.00 . A A . 11 GLY C 1 1 27 8879 1 1 12 GLY CA C 0.274 -2.074 1.746 1.00 . A A . 11 GLY CA 1 1 27 8880 1 1 12 GLY H H -1.374 -0.649 1.334 1.00 . A A . 11 GLY H 1 1 27 8881 1 1 12 GLY HA2 H 0.629 -2.075 2.788 1.00 . A A . 11 GLY HA2 1 1 27 8882 1 1 12 GLY HA3 H -0.493 -2.853 1.628 1.00 . A A . 11 GLY HA3 1 1 27 8883 1 1 12 GLY N N -0.370 -0.765 1.510 1.00 . A A . 11 GLY N 1 1 27 8884 1 1 12 GLY O O 2.266 -3.290 1.180 1.00 . A A . 11 GLY O 1 1 27 8885 1 1 13 LYS C C 2.873 -0.700 -2.158 1.00 . A A . 12 LYS C 1 1 27 8886 1 1 13 LYS CA C 2.544 -2.054 -1.427 1.00 . A A . 12 LYS CA 1 1 27 8887 1 1 13 LYS CB C 2.292 -3.240 -2.404 1.00 . A A . 12 LYS CB 1 1 27 8888 1 1 13 LYS CD C 2.152 -5.778 -2.828 1.00 . A A . 12 LYS CD 1 1 27 8889 1 1 13 LYS CE C 2.209 -7.209 -2.256 1.00 . A A . 12 LYS CE 1 1 27 8890 1 1 13 LYS CG C 2.311 -4.654 -1.782 1.00 . A A . 12 LYS CG 1 1 27 8891 1 1 13 LYS H H 0.616 -1.352 -0.615 1.00 . A A . 12 LYS H 1 1 27 8892 1 1 13 LYS HA H 3.480 -2.206 -0.864 1.00 . A A . 12 LYS HA 1 1 27 8893 1 1 13 LYS HB2 H 1.336 -3.082 -2.939 1.00 . A A . 12 LYS HB2 1 1 27 8894 1 1 13 LYS HB3 H 3.069 -3.218 -3.193 1.00 . A A . 12 LYS HB3 1 1 27 8895 1 1 13 LYS HD2 H 1.213 -5.638 -3.397 1.00 . A A . 12 LYS HD2 1 1 27 8896 1 1 13 LYS HD3 H 2.959 -5.680 -3.578 1.00 . A A . 12 LYS HD3 1 1 27 8897 1 1 13 LYS HE2 H 2.295 -7.930 -3.089 1.00 . A A . 12 LYS HE2 1 1 27 8898 1 1 13 LYS HE3 H 3.122 -7.347 -1.647 1.00 . A A . 12 LYS HE3 1 1 27 8899 1 1 13 LYS HG2 H 3.257 -4.799 -1.227 1.00 . A A . 12 LYS HG2 1 1 27 8900 1 1 13 LYS HG3 H 1.504 -4.738 -1.031 1.00 . A A . 12 LYS HG3 1 1 27 8901 1 1 13 LYS HZ1 H 0.958 -6.954 -0.631 1.00 . A A . 12 LYS HZ1 1 1 27 8902 1 1 13 LYS HZ3 H 1.122 -8.517 -1.082 1.00 . A A . 12 LYS HZ3 1 1 27 8903 1 1 13 LYS N N 1.468 -1.884 -0.418 1.00 . A A . 12 LYS N 1 1 27 8904 1 1 13 LYS NZ N 1.023 -7.565 -1.452 1.00 . A A . 12 LYS NZ 1 1 27 8905 1 1 13 LYS O O 3.047 -0.637 -3.379 1.00 . A A . 12 LYS O 1 1 27 8906 1 1 14 ASP C C 4.395 2.163 -0.765 1.00 . A A . 13 ASP C 1 1 27 8907 1 1 14 ASP CA C 3.363 1.753 -1.799 1.00 . A A . 13 ASP CA 1 1 27 8908 1 1 14 ASP CB C 2.176 2.703 -1.954 1.00 . A A . 13 ASP CB 1 1 27 8909 1 1 14 ASP CG C 2.452 3.971 -2.768 1.00 . A A . 13 ASP CG 1 1 27 8910 1 1 14 ASP H H 2.587 0.288 -0.427 1.00 . A A . 13 ASP H 1 1 27 8911 1 1 14 ASP HA H 3.937 1.691 -2.710 1.00 . A A . 13 ASP HA 1 1 27 8912 1 1 14 ASP HB2 H 1.339 2.144 -2.375 1.00 . A A . 13 ASP HB2 1 1 27 8913 1 1 14 ASP HB3 H 1.841 2.972 -0.953 1.00 . A A . 13 ASP HB3 1 1 27 8914 1 1 14 ASP HD2 H 2.407 4.581 -4.616 1.00 . A A . 13 ASP HD2 1 1 27 8915 1 1 14 ASP N N 3.003 0.382 -1.363 1.00 . A A . 13 ASP N 1 1 27 8916 1 1 14 ASP O O 5.527 2.440 -1.163 1.00 . A A . 13 ASP O 1 1 27 8917 1 1 14 ASP OD1 O 2.832 5.028 -2.265 1.00 . A A . 13 ASP OD1 1 1 27 8918 1 1 14 ASP OD2 O 2.232 3.785 -4.108 1.00 . A A . 13 ASP OD2 1 1 27 8919 1 1 15 VAL C C 5.312 1.321 2.429 1.00 . A A . 14 VAL C 1 1 27 8920 1 1 15 VAL CA C 4.994 2.613 1.587 1.00 . A A . 14 VAL CA 1 1 27 8921 1 1 15 VAL CB C 4.704 3.902 2.364 1.00 . A A . 14 VAL CB 1 1 27 8922 1 1 15 VAL CG1 C 4.667 5.096 1.398 1.00 . A A . 14 VAL CG1 1 1 27 8923 1 1 15 VAL CG2 C 3.426 3.814 3.218 1.00 . A A . 14 VAL CG2 1 1 27 8924 1 1 15 VAL H H 3.090 1.905 0.728 1.00 . A A . 14 VAL H 1 1 27 8925 1 1 15 VAL HA H 5.955 2.784 1.075 1.00 . A A . 14 VAL HA 1 1 27 8926 1 1 15 VAL HB H 5.588 4.037 3.009 1.00 . A A . 14 VAL HB 1 1 27 8927 1 1 15 VAL HG11 H 5.582 5.109 0.773 1.00 . A A . 14 VAL HG11 1 1 27 8928 1 1 15 VAL HG12 H 3.809 5.013 0.703 1.00 . A A . 14 VAL HG12 1 1 27 8929 1 1 15 VAL HG13 H 4.596 6.049 1.938 1.00 . A A . 14 VAL HG13 1 1 27 8930 1 1 15 VAL HG21 H 3.261 4.739 3.790 1.00 . A A . 14 VAL HG21 1 1 27 8931 1 1 15 VAL HG22 H 3.486 2.978 3.938 1.00 . A A . 14 VAL HG22 1 1 27 8932 1 1 15 VAL HG23 H 2.538 3.628 2.584 1.00 . A A . 14 VAL HG23 1 1 27 8933 1 1 15 VAL N N 4.002 2.304 0.519 1.00 . A A . 14 VAL N 1 1 27 8934 1 1 15 VAL O O 5.325 1.220 3.657 1.00 . A A . 14 VAL O 1 1 27 8935 1 1 16 TYR C C 6.957 -1.256 0.536 1.00 . A A . 15 TYR C 1 1 27 8936 1 1 16 TYR CA C 6.044 -1.014 1.778 1.00 . A A . 15 TYR CA 1 1 27 8937 1 1 16 TYR CB C 4.894 -2.014 1.970 1.00 . A A . 15 TYR CB 1 1 27 8938 1 1 16 TYR CD1 C 5.869 -3.894 3.371 1.00 . A A . 15 TYR CD1 1 1 27 8939 1 1 16 TYR CD2 C 5.429 -4.323 1.035 1.00 . A A . 15 TYR CD2 1 1 27 8940 1 1 16 TYR CE1 C 6.397 -5.175 3.508 1.00 . A A . 15 TYR CE1 1 1 27 8941 1 1 16 TYR CE2 C 5.957 -5.604 1.172 1.00 . A A . 15 TYR CE2 1 1 27 8942 1 1 16 TYR CG C 5.375 -3.463 2.138 1.00 . A A . 15 TYR CG 1 1 27 8943 1 1 16 TYR CZ C 6.437 -6.033 2.409 1.00 . A A . 15 TYR CZ 1 1 27 8944 1 1 16 TYR H H 5.192 0.691 0.666 1.00 . A A . 15 TYR H 1 1 27 8945 1 1 16 TYR HA H 6.681 -1.013 2.669 1.00 . A A . 15 TYR HA 1 1 27 8946 1 1 16 TYR HB2 H 4.279 -1.719 2.842 1.00 . A A . 15 TYR HB2 1 1 27 8947 1 1 16 TYR HB3 H 4.222 -1.917 1.107 1.00 . A A . 15 TYR HB3 1 1 27 8948 1 1 16 TYR HD1 H 5.890 -3.218 4.213 1.00 . A A . 15 TYR HD1 1 1 27 8949 1 1 16 TYR HD2 H 5.114 -3.984 0.056 1.00 . A A . 15 TYR HD2 1 1 27 8950 1 1 16 TYR HE1 H 6.796 -5.479 4.464 1.00 . A A . 15 TYR HE1 1 1 27 8951 1 1 16 TYR HE2 H 6.016 -6.244 0.306 1.00 . A A . 15 TYR HE2 1 1 27 8952 1 1 16 TYR HH H 7.260 -7.414 3.447 1.00 . A A . 15 TYR HH 1 1 27 8953 1 1 16 TYR N N 5.617 0.369 1.567 1.00 . A A . 15 TYR N 1 1 27 8954 1 1 16 TYR O O 8.040 -1.811 0.723 1.00 . A A . 15 TYR O 1 1 27 8955 1 1 16 TYR OH O 6.973 -7.289 2.539 1.00 . A A . 15 TYR OH 1 1 27 8956 1 1 17 ASP C C 8.480 0.035 -1.867 1.00 . A A . 16 ASP C 1 1 27 8957 1 1 17 ASP CA C 7.368 -1.060 -1.923 1.00 . A A . 16 ASP CA 1 1 27 8958 1 1 17 ASP CB C 6.526 -1.125 -3.204 1.00 . A A . 16 ASP CB 1 1 27 8959 1 1 17 ASP CG C 7.304 -1.482 -4.477 1.00 . A A . 16 ASP CG 1 1 27 8960 1 1 17 ASP H H 5.660 -0.357 -0.709 1.00 . A A . 16 ASP H 1 1 27 8961 1 1 17 ASP HA H 7.884 -2.001 -1.805 1.00 . A A . 16 ASP HA 1 1 27 8962 1 1 17 ASP HB2 H 5.692 -1.844 -3.086 1.00 . A A . 16 ASP HB2 1 1 27 8963 1 1 17 ASP HB3 H 6.058 -0.147 -3.325 1.00 . A A . 16 ASP HB3 1 1 27 8964 1 1 17 ASP HD2 H 7.951 -3.056 -5.422 1.00 . A A . 16 ASP HD2 1 1 27 8965 1 1 17 ASP N N 6.519 -0.925 -0.717 1.00 . A A . 16 ASP N 1 1 27 8966 1 1 17 ASP O O 9.639 -0.299 -2.132 1.00 . A A . 16 ASP O 1 1 27 8967 1 1 17 ASP OD1 O 7.735 -0.641 -5.265 1.00 . A A . 16 ASP OD1 1 1 27 8968 1 1 17 ASP OD2 O 7.463 -2.836 -4.626 1.00 . A A . 16 ASP OD2 1 1 27 8969 1 1 18 LYS C C 10.015 2.180 -0.069 1.00 . A A . 17 LYS C 1 1 27 8970 1 1 18 LYS CA C 9.167 2.385 -1.395 1.00 . A A . 17 LYS CA 1 1 27 8971 1 1 18 LYS CB C 8.526 3.800 -1.433 1.00 . A A . 17 LYS CB 1 1 27 8972 1 1 18 LYS CD C 8.798 4.389 -3.995 1.00 . A A . 17 LYS CD 1 1 27 8973 1 1 18 LYS CE C 9.833 5.525 -3.881 1.00 . A A . 17 LYS CE 1 1 27 8974 1 1 18 LYS CG C 7.870 4.237 -2.768 1.00 . A A . 17 LYS CG 1 1 27 8975 1 1 18 LYS H H 7.199 1.469 -1.178 1.00 . A A . 17 LYS H 1 1 27 8976 1 1 18 LYS HA H 9.845 2.297 -2.249 1.00 . A A . 17 LYS HA 1 1 27 8977 1 1 18 LYS HB2 H 7.772 3.881 -0.627 1.00 . A A . 17 LYS HB2 1 1 27 8978 1 1 18 LYS HB3 H 9.288 4.555 -1.165 1.00 . A A . 17 LYS HB3 1 1 27 8979 1 1 18 LYS HD2 H 9.306 3.429 -4.203 1.00 . A A . 17 LYS HD2 1 1 27 8980 1 1 18 LYS HD3 H 8.157 4.571 -4.878 1.00 . A A . 17 LYS HD3 1 1 27 8981 1 1 18 LYS HE2 H 9.332 6.482 -3.642 1.00 . A A . 17 LYS HE2 1 1 27 8982 1 1 18 LYS HE3 H 10.538 5.328 -3.052 1.00 . A A . 17 LYS HE3 1 1 27 8983 1 1 18 LYS HG2 H 7.068 3.521 -3.026 1.00 . A A . 17 LYS HG2 1 1 27 8984 1 1 18 LYS HG3 H 7.340 5.194 -2.603 1.00 . A A . 17 LYS HG3 1 1 27 8985 1 1 18 LYS HZ1 H 9.967 5.940 -5.899 1.00 . A A . 17 LYS HZ1 1 1 27 8986 1 1 18 LYS HZ3 H 11.255 6.469 -5.042 1.00 . A A . 17 LYS HZ3 1 1 27 8987 1 1 18 LYS N N 8.148 1.314 -1.546 1.00 . A A . 17 LYS N 1 1 27 8988 1 1 18 LYS NZ N 10.598 5.686 -5.130 1.00 . A A . 17 LYS NZ 1 1 27 8989 1 1 18 LYS O O 11.088 2.774 0.064 1.00 . A A . 17 LYS O 1 1 27 8990 1 1 19 VAL C C 11.261 -0.112 1.896 1.00 . A A . 18 VAL C 1 1 27 8991 1 1 19 VAL CA C 10.198 0.987 2.165 1.00 . A A . 18 VAL CA 1 1 27 8992 1 1 19 VAL CB C 9.182 0.729 3.328 1.00 . A A . 18 VAL CB 1 1 27 8993 1 1 19 VAL CG1 C 9.720 -0.017 4.553 1.00 . A A . 18 VAL CG1 1 1 27 8994 1 1 19 VAL CG2 C 8.462 2.012 3.786 1.00 . A A . 18 VAL CG2 1 1 27 8995 1 1 19 VAL H H 8.806 0.731 0.488 1.00 . A A . 18 VAL H 1 1 27 8996 1 1 19 VAL HA H 10.762 1.856 2.434 1.00 . A A . 18 VAL HA 1 1 27 8997 1 1 19 VAL HB H 8.418 0.056 2.966 1.00 . A A . 18 VAL HB 1 1 27 8998 1 1 19 VAL HG11 H 10.541 0.534 5.038 1.00 . A A . 18 VAL HG11 1 1 27 8999 1 1 19 VAL HG12 H 8.913 -0.191 5.290 1.00 . A A . 18 VAL HG12 1 1 27 9000 1 1 19 VAL HG13 H 10.088 -1.018 4.260 1.00 . A A . 18 VAL HG13 1 1 27 9001 1 1 19 VAL HG21 H 9.162 2.751 4.212 1.00 . A A . 18 VAL HG21 1 1 27 9002 1 1 19 VAL HG22 H 7.697 1.790 4.555 1.00 . A A . 18 VAL HG22 1 1 27 9003 1 1 19 VAL HG23 H 7.929 2.493 2.946 1.00 . A A . 18 VAL HG23 1 1 27 9004 1 1 19 VAL N N 9.524 1.344 0.889 1.00 . A A . 18 VAL N 1 1 27 9005 1 1 19 VAL O O 12.423 0.074 2.273 1.00 . A A . 18 VAL O 1 1 27 9006 1 1 20 LYS C C 12.918 -1.898 -0.141 1.00 . A A . 19 LYS C 1 1 27 9007 1 1 20 LYS CA C 11.808 -2.333 0.896 1.00 . A A . 19 LYS CA 1 1 27 9008 1 1 20 LYS CB C 10.941 -3.513 0.368 1.00 . A A . 19 LYS CB 1 1 27 9009 1 1 20 LYS CD C 12.209 -5.547 1.390 1.00 . A A . 19 LYS CD 1 1 27 9010 1 1 20 LYS CE C 12.831 -6.925 1.097 1.00 . A A . 19 LYS CE 1 1 27 9011 1 1 20 LYS CG C 11.641 -4.871 0.125 1.00 . A A . 19 LYS CG 1 1 27 9012 1 1 20 LYS H H 9.876 -1.277 1.029 1.00 . A A . 19 LYS H 1 1 27 9013 1 1 20 LYS HA H 12.295 -2.653 1.830 1.00 . A A . 19 LYS HA 1 1 27 9014 1 1 20 LYS HB2 H 10.099 -3.698 1.064 1.00 . A A . 19 LYS HB2 1 1 27 9015 1 1 20 LYS HB3 H 10.457 -3.202 -0.579 1.00 . A A . 19 LYS HB3 1 1 27 9016 1 1 20 LYS HD2 H 12.971 -4.888 1.849 1.00 . A A . 19 LYS HD2 1 1 27 9017 1 1 20 LYS HD3 H 11.404 -5.651 2.143 1.00 . A A . 19 LYS HD3 1 1 27 9018 1 1 20 LYS HE2 H 12.079 -7.600 0.648 1.00 . A A . 19 LYS HE2 1 1 27 9019 1 1 20 LYS HE3 H 13.646 -6.831 0.356 1.00 . A A . 19 LYS HE3 1 1 27 9020 1 1 20 LYS HG2 H 10.907 -5.553 -0.344 1.00 . A A . 19 LYS HG2 1 1 27 9021 1 1 20 LYS HG3 H 12.440 -4.751 -0.630 1.00 . A A . 19 LYS HG3 1 1 27 9022 1 1 20 LYS HZ1 H 14.067 -6.936 2.750 1.00 . A A . 19 LYS HZ1 1 1 27 9023 1 1 20 LYS HZ3 H 12.620 -7.646 3.020 1.00 . A A . 19 LYS HZ3 1 1 27 9024 1 1 20 LYS N N 10.871 -1.239 1.268 1.00 . A A . 19 LYS N 1 1 27 9025 1 1 20 LYS NZ N 13.365 -7.548 2.321 1.00 . A A . 19 LYS NZ 1 1 27 9026 1 1 20 LYS O O 13.917 -2.606 -0.296 1.00 . A A . 19 LYS O 1 1 27 9027 1 1 21 GLU C C 14.821 0.620 -1.088 1.00 . A A . 20 GLU C 1 1 27 9028 1 1 21 GLU CA C 13.692 -0.168 -1.793 1.00 . A A . 20 GLU CA 1 1 27 9029 1 1 21 GLU CB C 12.884 0.610 -2.852 1.00 . A A . 20 GLU CB 1 1 27 9030 1 1 21 GLU CD C 12.810 1.970 -5.009 1.00 . A A . 20 GLU CD 1 1 27 9031 1 1 21 GLU CG C 13.684 1.158 -4.050 1.00 . A A . 20 GLU CG 1 1 27 9032 1 1 21 GLU H H 12.053 -0.115 -0.395 1.00 . A A . 20 GLU H 1 1 27 9033 1 1 21 GLU HA H 14.148 -0.992 -2.296 1.00 . A A . 20 GLU HA 1 1 27 9034 1 1 21 GLU HB2 H 12.062 -0.027 -3.233 1.00 . A A . 20 GLU HB2 1 1 27 9035 1 1 21 GLU HB3 H 12.395 1.438 -2.331 1.00 . A A . 20 GLU HB3 1 1 27 9036 1 1 21 GLU HE2 H 12.231 3.808 -5.283 1.00 . A A . 20 GLU HE2 1 1 27 9037 1 1 21 GLU HG2 H 14.519 1.790 -3.694 1.00 . A A . 20 GLU HG2 1 1 27 9038 1 1 21 GLU HG3 H 14.151 0.322 -4.602 1.00 . A A . 20 GLU HG3 1 1 27 9039 1 1 21 GLU N N 12.740 -0.742 -0.827 1.00 . A A . 20 GLU N 1 1 27 9040 1 1 21 GLU O O 15.995 0.256 -1.154 1.00 . A A . 20 GLU O 1 1 27 9041 1 1 21 GLU OE1 O 12.207 1.476 -5.962 1.00 . A A . 20 GLU OE1 1 1 27 9042 1 1 21 GLU OE2 O 12.780 3.301 -4.680 1.00 . A A . 20 GLU OE2 1 1 27 9043 1 1 22 NH2 HN1 H 13.682 2.143 -0.733 1.00 . A A . 21 NH2 HN1 1 1 27 9044 1 1 22 NH2 HN2 H 14.384 1.232 0.609 1.00 . A A . 21 NH2 HN2 1 1 27 9045 1 1 22 NH2 N N 14.478 1.639 -0.324 1.00 . A A . 21 NH2 N 1 1 28 9046 1 1 2 GLU C C -13.054 -2.817 -1.911 1.00 . A A . 1 ACE C 1 1 28 9047 1 1 2 GLU CA C -14.078 -0.655 -1.129 1.00 . A A . 1 ACE CA 1 1 28 9048 1 1 2 GLU CB C -15.332 -0.421 -0.218 1.00 . A A . 1 ACE CB 1 1 28 9049 1 1 2 GLU CD C -16.856 -2.538 -0.349 1.00 . A A . 1 ACE CD 1 1 28 9050 1 1 2 GLU CG C -16.680 -1.044 -0.642 1.00 . A A . 1 ACE CG 1 1 28 9051 1 1 2 GLU H H -14.365 -2.685 -0.456 1.00 . A A . 1 ACE H 1 1 28 9052 1 1 2 GLU HA H -14.436 -0.457 -2.155 1.00 . A A . 1 ACE HA 1 1 28 9053 1 1 2 GLU HB2 H -15.090 -0.650 0.837 1.00 . A A . 1 ACE HB2 1 1 28 9054 1 1 2 GLU HB3 H -15.546 0.658 -0.202 1.00 . A A . 1 ACE HB3 1 1 28 9055 1 1 2 GLU HE2 H -17.119 -1.974 1.495 1.00 . A A . 1 ACE HE2 1 1 28 9056 1 1 2 GLU HG2 H -17.487 -0.491 -0.127 1.00 . A A . 1 ACE HG2 1 1 28 9057 1 1 2 GLU HG3 H -16.842 -0.847 -1.717 1.00 . A A . 1 ACE HG3 1 1 28 9058 1 1 2 GLU N N -13.719 -2.094 -0.988 1.00 . A A . 1 ACE N 1 1 28 9059 1 1 2 GLU O O -12.977 -4.032 -1.732 1.00 . A A . 1 ACE O 1 1 28 9060 1 1 2 GLU OE1 O -16.784 -3.411 -1.214 1.00 . A A . 1 ACE OE1 1 1 28 9061 1 1 2 GLU OE2 O -17.101 -2.782 0.978 1.00 . A A . 1 ACE OE2 1 1 28 9062 1 1 3 SER C C -11.096 2.154 0.948 1.00 . A A . 2 SER C 1 1 28 9063 1 1 3 SER CA C -12.153 2.595 -0.082 1.00 . A A . 2 SER CA 1 1 28 9064 1 1 3 SER CB C -12.879 3.869 0.361 1.00 . A A . 2 SER CB 1 1 28 9065 1 1 3 SER H H -14.174 1.746 -0.411 1.00 . A A . 2 SER H 1 1 28 9066 1 1 3 SER HA H -11.645 2.861 -1.008 1.00 . A A . 2 SER HA 1 1 28 9067 1 1 3 SER HB2 H -13.771 4.057 -0.252 1.00 . A A . 2 SER HB2 1 1 28 9068 1 1 3 SER HB3 H -13.252 3.722 1.376 1.00 . A A . 2 SER HB3 1 1 28 9069 1 1 3 SER HG H -12.542 5.744 0.630 1.00 . A A . 2 SER HG 1 1 28 9070 1 1 3 SER N N -13.169 1.553 -0.411 1.00 . A A . 2 SER N 1 1 28 9071 1 1 3 SER O O -9.905 2.390 0.746 1.00 . A A . 2 SER O 1 1 28 9072 1 1 3 SER OG O -12.017 5.001 0.322 1.00 . A A . 2 SER OG 1 1 28 9073 1 1 4 ALA C C -9.959 -0.392 2.837 1.00 . A A . 3 ALA C 1 1 28 9074 1 1 4 ALA CA C -10.665 0.984 3.098 1.00 . A A . 3 ALA CA 1 1 28 9075 1 1 4 ALA CB C -11.431 0.983 4.418 1.00 . A A . 3 ALA CB 1 1 28 9076 1 1 4 ALA H H -12.588 1.512 2.048 1.00 . A A . 3 ALA H 1 1 28 9077 1 1 4 ALA HA H -9.819 1.682 3.123 1.00 . A A . 3 ALA HA 1 1 28 9078 1 1 4 ALA HB1 H -12.266 0.258 4.380 1.00 . A A . 3 ALA HB1 1 1 28 9079 1 1 4 ALA HB2 H -11.847 1.981 4.641 1.00 . A A . 3 ALA HB2 1 1 28 9080 1 1 4 ALA HB3 H -10.768 0.697 5.252 1.00 . A A . 3 ALA HB3 1 1 28 9081 1 1 4 ALA N N -11.564 1.529 2.042 1.00 . A A . 3 ALA N 1 1 28 9082 1 1 4 ALA O O -9.404 -1.048 3.723 1.00 . A A . 3 ALA O 1 1 28 9083 1 1 5 LYS C C -8.932 -1.646 -0.556 1.00 . A A . 4 LYS C 1 1 28 9084 1 1 5 LYS CA C -9.416 -1.951 0.923 1.00 . A A . 4 LYS CA 1 1 28 9085 1 1 5 LYS CB C -10.389 -3.148 1.038 1.00 . A A . 4 LYS CB 1 1 28 9086 1 1 5 LYS CD C -10.774 -5.685 1.016 1.00 . A A . 4 LYS CD 1 1 28 9087 1 1 5 LYS CE C -10.130 -7.078 0.893 1.00 . A A . 4 LYS CE 1 1 28 9088 1 1 5 LYS CG C -9.744 -4.544 0.905 1.00 . A A . 4 LYS CG 1 1 28 9089 1 1 5 LYS H H -10.595 -0.100 1.061 1.00 . A A . 4 LYS H 1 1 28 9090 1 1 5 LYS HA H -8.480 -2.090 1.487 1.00 . A A . 4 LYS HA 1 1 28 9091 1 1 5 LYS HB2 H -10.907 -3.104 2.014 1.00 . A A . 4 LYS HB2 1 1 28 9092 1 1 5 LYS HB3 H -11.180 -3.013 0.278 1.00 . A A . 4 LYS HB3 1 1 28 9093 1 1 5 LYS HD2 H -11.307 -5.605 1.983 1.00 . A A . 4 LYS HD2 1 1 28 9094 1 1 5 LYS HD3 H -11.546 -5.559 0.232 1.00 . A A . 4 LYS HD3 1 1 28 9095 1 1 5 LYS HE2 H -9.604 -7.177 -0.075 1.00 . A A . 4 LYS HE2 1 1 28 9096 1 1 5 LYS HE3 H -9.365 -7.222 1.678 1.00 . A A . 4 LYS HE3 1 1 28 9097 1 1 5 LYS HG2 H -9.212 -4.628 -0.060 1.00 . A A . 4 LYS HG2 1 1 28 9098 1 1 5 LYS HG3 H -8.969 -4.663 1.686 1.00 . A A . 4 LYS HG3 1 1 28 9099 1 1 5 LYS HZ1 H -10.681 -9.067 0.951 1.00 . A A . 4 LYS HZ1 1 1 28 9100 1 1 5 LYS HZ3 H -11.587 -8.115 1.924 1.00 . A A . 4 LYS HZ3 1 1 28 9101 1 1 5 LYS N N -10.015 -0.765 1.567 1.00 . A A . 4 LYS N 1 1 28 9102 1 1 5 LYS NZ N -11.137 -8.149 1.002 1.00 . A A . 4 LYS NZ 1 1 28 9103 1 1 5 LYS O O -8.780 -2.530 -1.402 1.00 . A A . 4 LYS O 1 1 28 9104 1 1 6 HIS C C -7.060 1.225 -1.601 1.00 . A A . 5 HIS C 1 1 28 9105 1 1 6 HIS CA C -8.196 0.265 -2.063 1.00 . A A . 5 HIS CA 1 1 28 9106 1 1 6 HIS CB C -9.301 0.904 -2.932 1.00 . A A . 5 HIS CB 1 1 28 9107 1 1 6 HIS CD2 C -8.133 0.551 -5.219 1.00 . A A . 5 HIS CD2 1 1 28 9108 1 1 6 HIS CE1 C -8.180 2.528 -5.931 1.00 . A A . 5 HIS CE1 1 1 28 9109 1 1 6 HIS CG C -8.772 1.378 -4.281 1.00 . A A . 5 HIS CG 1 1 28 9110 1 1 6 HIS H H -9.271 0.201 -0.161 1.00 . A A . 5 HIS H 1 1 28 9111 1 1 6 HIS HA H -7.679 -0.529 -2.607 1.00 . A A . 5 HIS HA 1 1 28 9112 1 1 6 HIS HB2 H -10.104 0.168 -3.119 1.00 . A A . 5 HIS HB2 1 1 28 9113 1 1 6 HIS HB3 H -9.789 1.736 -2.387 1.00 . A A . 5 HIS HB3 1 1 28 9114 1 1 6 HIS HD2 H -7.959 -0.509 -5.101 1.00 . A A . 5 HIS HD2 1 1 28 9115 1 1 6 HIS HE1 H -8.025 3.379 -6.579 1.00 . A A . 5 HIS HE1 1 1 28 9116 1 1 6 HIS HE2 H -7.249 0.998 -7.168 1.00 . A A . 5 HIS HE2 1 1 28 9117 1 1 6 HIS N N -8.706 -0.351 -0.820 1.00 . A A . 5 HIS N 1 1 28 9118 1 1 6 HIS ND1 N -8.811 2.696 -4.724 1.00 . A A . 5 HIS ND1 1 1 28 9119 1 1 6 HIS NE2 N -7.743 1.289 -6.317 1.00 . A A . 5 HIS NE2 1 1 28 9120 1 1 6 HIS O O -5.984 1.199 -2.202 1.00 . A A . 5 HIS O 1 1 28 9121 1 1 7 MET C C -5.363 2.083 0.830 1.00 . A A . 6 MET C 1 1 28 9122 1 1 7 MET CA C -6.283 3.003 -0.006 1.00 . A A . 6 MET CA 1 1 28 9123 1 1 7 MET CB C -6.878 4.192 0.794 1.00 . A A . 6 MET CB 1 1 28 9124 1 1 7 MET CE C -9.243 7.342 -0.625 1.00 . A A . 6 MET CE 1 1 28 9125 1 1 7 MET CG C -8.021 4.943 0.092 1.00 . A A . 6 MET CG 1 1 28 9126 1 1 7 MET H H -8.155 1.959 -0.057 1.00 . A A . 6 MET H 1 1 28 9127 1 1 7 MET HA H -5.658 3.362 -0.827 1.00 . A A . 6 MET HA 1 1 28 9128 1 1 7 MET HB2 H -7.241 3.856 1.785 1.00 . A A . 6 MET HB2 1 1 28 9129 1 1 7 MET HB3 H -6.060 4.902 1.017 1.00 . A A . 6 MET HB3 1 1 28 9130 1 1 7 MET HE1 H -10.212 6.946 -0.271 1.00 . A A . 6 MET HE1 1 1 28 9131 1 1 7 MET HE2 H -9.288 8.445 -0.581 1.00 . A A . 6 MET HE2 1 1 28 9132 1 1 7 MET HE3 H -9.113 7.047 -1.682 1.00 . A A . 6 MET HE3 1 1 28 9133 1 1 7 MET HG2 H -8.013 4.719 -0.990 1.00 . A A . 6 MET HG2 1 1 28 9134 1 1 7 MET HG3 H -9.000 4.582 0.459 1.00 . A A . 6 MET HG3 1 1 28 9135 1 1 7 MET N N -7.296 2.098 -0.585 1.00 . A A . 6 MET N 1 1 28 9136 1 1 7 MET O O -4.164 2.130 0.601 1.00 . A A . 6 MET O 1 1 28 9137 1 1 7 MET SD S -7.885 6.724 0.389 1.00 . A A . 6 MET SD 1 1 28 9138 1 1 8 PHE C C -4.394 -0.779 1.639 1.00 . A A . 7 PHE C 1 1 28 9139 1 1 8 PHE CA C -5.110 0.270 2.544 1.00 . A A . 7 PHE CA 1 1 28 9140 1 1 8 PHE CB C -6.056 -0.414 3.557 1.00 . A A . 7 PHE CB 1 1 28 9141 1 1 8 PHE CD1 C -7.224 1.301 5.020 1.00 . A A . 7 PHE CD1 1 1 28 9142 1 1 8 PHE CD2 C -5.343 0.096 5.939 1.00 . A A . 7 PHE CD2 1 1 28 9143 1 1 8 PHE CE1 C -7.354 2.009 6.208 1.00 . A A . 7 PHE CE1 1 1 28 9144 1 1 8 PHE CE2 C -5.473 0.807 7.128 1.00 . A A . 7 PHE CE2 1 1 28 9145 1 1 8 PHE CG C -6.218 0.341 4.878 1.00 . A A . 7 PHE CG 1 1 28 9146 1 1 8 PHE CZ C -6.479 1.763 7.265 1.00 . A A . 7 PHE CZ 1 1 28 9147 1 1 8 PHE H H -6.911 1.148 1.701 1.00 . A A . 7 PHE H 1 1 28 9148 1 1 8 PHE HA H -4.331 0.836 3.059 1.00 . A A . 7 PHE HA 1 1 28 9149 1 1 8 PHE HB2 H -7.033 -0.516 3.076 1.00 . A A . 7 PHE HB2 1 1 28 9150 1 1 8 PHE HB3 H -5.768 -1.465 3.748 1.00 . A A . 7 PHE HB3 1 1 28 9151 1 1 8 PHE HD1 H -7.901 1.513 4.205 1.00 . A A . 7 PHE HD1 1 1 28 9152 1 1 8 PHE HD2 H -4.553 -0.636 5.844 1.00 . A A . 7 PHE HD2 1 1 28 9153 1 1 8 PHE HE1 H -8.133 2.751 6.288 1.00 . A A . 7 PHE HE1 1 1 28 9154 1 1 8 PHE HE2 H -4.780 0.610 7.930 1.00 . A A . 7 PHE HE2 1 1 28 9155 1 1 8 PHE HZ H -6.576 2.317 8.188 1.00 . A A . 7 PHE HZ 1 1 28 9156 1 1 8 PHE N N -5.897 1.243 1.748 1.00 . A A . 7 PHE N 1 1 28 9157 1 1 8 PHE O O -3.294 -1.210 1.986 1.00 . A A . 7 PHE O 1 1 28 9158 1 1 9 ASP C C -3.137 -1.466 -1.106 1.00 . A A . 8 ASP C 1 1 28 9159 1 1 9 ASP CA C -4.399 -2.136 -0.472 1.00 . A A . 8 ASP CA 1 1 28 9160 1 1 9 ASP CB C -5.441 -2.510 -1.551 1.00 . A A . 8 ASP CB 1 1 28 9161 1 1 9 ASP CG C -5.071 -3.714 -2.427 1.00 . A A . 8 ASP CG 1 1 28 9162 1 1 9 ASP H H -6.014 -0.919 0.503 1.00 . A A . 8 ASP H 1 1 28 9163 1 1 9 ASP HA H -4.149 -3.075 0.059 1.00 . A A . 8 ASP HA 1 1 28 9164 1 1 9 ASP HB2 H -6.384 -2.741 -1.046 1.00 . A A . 8 ASP HB2 1 1 28 9165 1 1 9 ASP HB3 H -5.677 -1.640 -2.192 1.00 . A A . 8 ASP HB3 1 1 28 9166 1 1 9 ASP HD2 H -4.308 -2.388 -3.632 1.00 . A A . 8 ASP HD2 1 1 28 9167 1 1 9 ASP N N -5.017 -1.187 0.504 1.00 . A A . 8 ASP N 1 1 28 9168 1 1 9 ASP O O -2.069 -2.083 -1.146 1.00 . A A . 8 ASP O 1 1 28 9169 1 1 9 ASP OD1 O -5.332 -4.877 -2.124 1.00 . A A . 8 ASP OD1 1 1 28 9170 1 1 9 ASP OD2 O -4.419 -3.340 -3.575 1.00 . A A . 8 ASP OD2 1 1 28 9171 1 1 10 ARG C C -1.129 0.895 -1.084 1.00 . A A . 9 ARG C 1 1 28 9172 1 1 10 ARG CA C -2.197 0.610 -2.160 1.00 . A A . 9 ARG CA 1 1 28 9173 1 1 10 ARG CB C -2.707 1.913 -2.814 1.00 . A A . 9 ARG CB 1 1 28 9174 1 1 10 ARG CD C -3.964 3.012 -4.774 1.00 . A A . 9 ARG CD 1 1 28 9175 1 1 10 ARG CG C -3.380 1.711 -4.190 1.00 . A A . 9 ARG CG 1 1 28 9176 1 1 10 ARG CZ C -4.906 3.786 -6.964 1.00 . A A . 9 ARG CZ 1 1 28 9177 1 1 10 ARG H H -4.263 0.146 -1.495 1.00 . A A . 9 ARG H 1 1 28 9178 1 1 10 ARG HA H -1.705 -0.019 -2.903 1.00 . A A . 9 ARG HA 1 1 28 9179 1 1 10 ARG HB2 H -3.390 2.440 -2.120 1.00 . A A . 9 ARG HB2 1 1 28 9180 1 1 10 ARG HB3 H -1.850 2.600 -2.949 1.00 . A A . 9 ARG HB3 1 1 28 9181 1 1 10 ARG HD2 H -4.804 3.365 -4.145 1.00 . A A . 9 ARG HD2 1 1 28 9182 1 1 10 ARG HD3 H -3.198 3.811 -4.751 1.00 . A A . 9 ARG HD3 1 1 28 9183 1 1 10 ARG HG2 H -2.633 1.284 -4.887 1.00 . A A . 9 ARG HG2 1 1 28 9184 1 1 10 ARG HG3 H -4.182 0.952 -4.112 1.00 . A A . 9 ARG HG3 1 1 28 9185 1 1 10 ARG HH11 H -4.759 5.282 -5.626 1.00 . A A . 9 ARG HH11 1 1 28 9186 1 1 10 ARG HH12 H -5.421 5.705 -7.283 1.00 . A A . 9 ARG HH12 1 1 28 9187 1 1 10 ARG HH21 H -5.150 2.480 -8.463 1.00 . A A . 9 ARG HH21 1 1 28 9188 1 1 10 ARG HH22 H -5.627 4.224 -8.780 1.00 . A A . 9 ARG HH22 1 1 28 9189 1 1 10 ARG N N -3.296 -0.202 -1.582 1.00 . A A . 9 ARG N 1 1 28 9190 1 1 10 ARG NE N -4.426 2.810 -6.168 1.00 . A A . 9 ARG NE 1 1 28 9191 1 1 10 ARG NH1 N -5.043 5.055 -6.585 1.00 . A A . 9 ARG NH1 1 1 28 9192 1 1 10 ARG NH2 N -5.264 3.464 -8.194 1.00 . A A . 9 ARG NH2 1 1 28 9193 1 1 10 ARG O O 0.014 0.477 -1.260 1.00 . A A . 9 ARG O 1 1 28 9194 1 1 11 ILE C C 0.265 0.599 1.634 1.00 . A A . 10 ILE C 1 1 28 9195 1 1 11 ILE CA C -0.595 1.833 1.199 1.00 . A A . 10 ILE CA 1 1 28 9196 1 1 11 ILE CB C -1.513 2.447 2.301 1.00 . A A . 10 ILE CB 1 1 28 9197 1 1 11 ILE CD1 C -3.168 4.418 2.656 1.00 . A A . 10 ILE CD1 1 1 28 9198 1 1 11 ILE CG1 C -1.944 3.888 1.915 1.00 . A A . 10 ILE CG1 1 1 28 9199 1 1 11 ILE CG2 C -0.994 2.384 3.748 1.00 . A A . 10 ILE CG2 1 1 28 9200 1 1 11 ILE H H -2.500 1.804 0.121 1.00 . A A . 10 ILE H 1 1 28 9201 1 1 11 ILE HA H 0.102 2.606 0.868 1.00 . A A . 10 ILE HA 1 1 28 9202 1 1 11 ILE HB H -2.404 1.816 2.322 1.00 . A A . 10 ILE HB 1 1 28 9203 1 1 11 ILE HD11 H -2.933 4.634 3.710 1.00 . A A . 10 ILE HD11 1 1 28 9204 1 1 11 ILE HD12 H -3.987 3.678 2.638 1.00 . A A . 10 ILE HD12 1 1 28 9205 1 1 11 ILE HD13 H -3.538 5.336 2.171 1.00 . A A . 10 ILE HD13 1 1 28 9206 1 1 11 ILE HG12 H -1.087 4.572 2.006 1.00 . A A . 10 ILE HG12 1 1 28 9207 1 1 11 ILE HG13 H -2.213 3.915 0.845 1.00 . A A . 10 ILE HG13 1 1 28 9208 1 1 11 ILE HG21 H -0.057 2.950 3.868 1.00 . A A . 10 ILE HG21 1 1 28 9209 1 1 11 ILE HG22 H -0.816 1.334 4.047 1.00 . A A . 10 ILE HG22 1 1 28 9210 1 1 11 ILE HG23 H -1.748 2.773 4.455 1.00 . A A . 10 ILE HG23 1 1 28 9211 1 1 11 ILE N N -1.500 1.541 0.038 1.00 . A A . 10 ILE N 1 1 28 9212 1 1 11 ILE O O 1.465 0.732 1.890 1.00 . A A . 10 ILE O 1 1 28 9213 1 1 12 GLY C C 1.407 -2.320 1.087 1.00 . A A . 11 GLY C 1 1 28 9214 1 1 12 GLY CA C 0.251 -1.868 2.017 1.00 . A A . 11 GLY CA 1 1 28 9215 1 1 12 GLY H H -1.397 -0.467 1.529 1.00 . A A . 11 GLY H 1 1 28 9216 1 1 12 GLY HA2 H 0.629 -1.790 3.048 1.00 . A A . 11 GLY HA2 1 1 28 9217 1 1 12 GLY HA3 H -0.524 -2.648 1.979 1.00 . A A . 11 GLY HA3 1 1 28 9218 1 1 12 GLY N N -0.390 -0.577 1.693 1.00 . A A . 11 GLY N 1 1 28 9219 1 1 12 GLY O O 2.216 -3.148 1.505 1.00 . A A . 11 GLY O 1 1 28 9220 1 1 13 LYS C C 2.776 -0.824 -2.033 1.00 . A A . 12 LYS C 1 1 28 9221 1 1 13 LYS CA C 2.451 -2.115 -1.194 1.00 . A A . 12 LYS CA 1 1 28 9222 1 1 13 LYS CB C 2.165 -3.369 -2.073 1.00 . A A . 12 LYS CB 1 1 28 9223 1 1 13 LYS CD C 1.990 -5.930 -2.300 1.00 . A A . 12 LYS CD 1 1 28 9224 1 1 13 LYS CE C 2.045 -7.314 -1.621 1.00 . A A . 12 LYS CE 1 1 28 9225 1 1 13 LYS CG C 2.184 -4.732 -1.345 1.00 . A A . 12 LYS CG 1 1 28 9226 1 1 13 LYS H H 0.547 -1.335 -0.398 1.00 . A A . 12 LYS H 1 1 28 9227 1 1 13 LYS HA H 3.397 -2.235 -0.642 1.00 . A A . 12 LYS HA 1 1 28 9228 1 1 13 LYS HB2 H 1.199 -3.241 -2.598 1.00 . A A . 12 LYS HB2 1 1 28 9229 1 1 13 LYS HB3 H 2.924 -3.416 -2.877 1.00 . A A . 12 LYS HB3 1 1 28 9230 1 1 13 LYS HD2 H 1.040 -5.823 -2.858 1.00 . A A . 12 LYS HD2 1 1 28 9231 1 1 13 LYS HD3 H 2.782 -5.899 -3.072 1.00 . A A . 12 LYS HD3 1 1 28 9232 1 1 13 LYS HE2 H 2.105 -8.098 -2.399 1.00 . A A . 12 LYS HE2 1 1 28 9233 1 1 13 LYS HE3 H 2.969 -7.417 -1.024 1.00 . A A . 12 LYS HE3 1 1 28 9234 1 1 13 LYS HG2 H 3.140 -4.846 -0.802 1.00 . A A . 12 LYS HG2 1 1 28 9235 1 1 13 LYS HG3 H 1.392 -4.750 -0.574 1.00 . A A . 12 LYS HG3 1 1 28 9236 1 1 13 LYS HZ1 H 0.971 -8.517 -0.329 1.00 . A A . 12 LYS HZ1 1 1 28 9237 1 1 13 LYS HZ3 H 0.832 -6.922 0.006 1.00 . A A . 12 LYS HZ3 1 1 28 9238 1 1 13 LYS N N 1.399 -1.857 -0.178 1.00 . A A . 12 LYS N 1 1 28 9239 1 1 13 LYS NZ N 0.873 -7.595 -0.768 1.00 . A A . 12 LYS NZ 1 1 28 9240 1 1 13 LYS O O 2.931 -0.859 -3.258 1.00 . A A . 12 LYS O 1 1 28 9241 1 1 14 ASP C C 4.350 2.125 -0.904 1.00 . A A . 13 ASP C 1 1 28 9242 1 1 14 ASP CA C 3.290 1.645 -1.878 1.00 . A A . 13 ASP CA 1 1 28 9243 1 1 14 ASP CB C 2.107 2.592 -2.079 1.00 . A A . 13 ASP CB 1 1 28 9244 1 1 14 ASP CG C 2.377 3.790 -2.995 1.00 . A A . 13 ASP CG 1 1 28 9245 1 1 14 ASP H H 2.528 0.299 -0.381 1.00 . A A . 13 ASP H 1 1 28 9246 1 1 14 ASP HA H 3.841 1.506 -2.793 1.00 . A A . 13 ASP HA 1 1 28 9247 1 1 14 ASP HB2 H 1.258 2.010 -2.440 1.00 . A A . 13 ASP HB2 1 1 28 9248 1 1 14 ASP HB3 H 1.795 2.942 -1.096 1.00 . A A . 13 ASP HB3 1 1 28 9249 1 1 14 ASP HD2 H 1.838 2.594 -4.433 1.00 . A A . 13 ASP HD2 1 1 28 9250 1 1 14 ASP N N 2.927 0.316 -1.328 1.00 . A A . 13 ASP N 1 1 28 9251 1 1 14 ASP O O 5.472 2.364 -1.351 1.00 . A A . 13 ASP O 1 1 28 9252 1 1 14 ASP OD1 O 2.768 4.881 -2.584 1.00 . A A . 13 ASP OD1 1 1 28 9253 1 1 14 ASP OD2 O 2.135 3.499 -4.313 1.00 . A A . 13 ASP OD2 1 1 28 9254 1 1 15 VAL C C 5.333 1.526 2.328 1.00 . A A . 14 VAL C 1 1 28 9255 1 1 15 VAL CA C 5.005 2.750 1.393 1.00 . A A . 14 VAL CA 1 1 28 9256 1 1 15 VAL CB C 4.744 4.099 2.072 1.00 . A A . 14 VAL CB 1 1 28 9257 1 1 15 VAL CG1 C 4.698 5.213 1.014 1.00 . A A . 14 VAL CG1 1 1 28 9258 1 1 15 VAL CG2 C 3.482 4.092 2.954 1.00 . A A . 14 VAL CG2 1 1 28 9259 1 1 15 VAL H H 3.077 1.995 0.634 1.00 . A A . 14 VAL H 1 1 28 9260 1 1 15 VAL HA H 5.956 2.870 0.849 1.00 . A A . 14 VAL HA 1 1 28 9261 1 1 15 VAL HB H 5.641 4.276 2.687 1.00 . A A . 14 VAL HB 1 1 28 9262 1 1 15 VAL HG11 H 3.825 5.083 0.345 1.00 . A A . 14 VAL HG11 1 1 28 9263 1 1 15 VAL HG12 H 4.645 6.206 1.478 1.00 . A A . 14 VAL HG12 1 1 28 9264 1 1 15 VAL HG13 H 5.599 5.166 0.373 1.00 . A A . 14 VAL HG13 1 1 28 9265 1 1 15 VAL HG21 H 2.580 3.868 2.354 1.00 . A A . 14 VAL HG21 1 1 28 9266 1 1 15 VAL HG22 H 3.548 3.313 3.735 1.00 . A A . 14 VAL HG22 1 1 28 9267 1 1 15 VAL HG23 H 3.337 5.061 3.456 1.00 . A A . 14 VAL HG23 1 1 28 9268 1 1 15 VAL N N 3.988 2.367 0.375 1.00 . A A . 14 VAL N 1 1 28 9269 1 1 15 VAL O O 5.382 1.526 3.559 1.00 . A A . 14 VAL O 1 1 28 9270 1 1 16 TYR C C 6.906 -1.209 0.613 1.00 . A A . 15 TYR C 1 1 28 9271 1 1 16 TYR CA C 6.019 -0.865 1.851 1.00 . A A . 15 TYR CA 1 1 28 9272 1 1 16 TYR CB C 4.867 -1.838 2.141 1.00 . A A . 15 TYR CB 1 1 28 9273 1 1 16 TYR CD1 C 5.865 -3.616 3.657 1.00 . A A . 15 TYR CD1 1 1 28 9274 1 1 16 TYR CD2 C 5.368 -4.215 1.369 1.00 . A A . 15 TYR CD2 1 1 28 9275 1 1 16 TYR CE1 C 6.395 -4.885 3.874 1.00 . A A . 15 TYR CE1 1 1 28 9276 1 1 16 TYR CE2 C 5.898 -5.483 1.588 1.00 . A A . 15 TYR CE2 1 1 28 9277 1 1 16 TYR CG C 5.342 -3.275 2.406 1.00 . A A . 15 TYR CG 1 1 28 9278 1 1 16 TYR CZ C 6.408 -5.821 2.840 1.00 . A A . 15 TYR CZ 1 1 28 9279 1 1 16 TYR H H 5.160 0.756 0.625 1.00 . A A . 15 TYR H 1 1 28 9280 1 1 16 TYR HA H 6.672 -0.801 2.729 1.00 . A A . 15 TYR HA 1 1 28 9281 1 1 16 TYR HB2 H 4.273 -1.473 3.001 1.00 . A A . 15 TYR HB2 1 1 28 9282 1 1 16 TYR HB3 H 4.178 -1.800 1.287 1.00 . A A . 15 TYR HB3 1 1 28 9283 1 1 16 TYR HD1 H 5.908 -2.880 4.446 1.00 . A A . 15 TYR HD1 1 1 28 9284 1 1 16 TYR HD2 H 5.030 -3.948 0.376 1.00 . A A . 15 TYR HD2 1 1 28 9285 1 1 16 TYR HE1 H 6.817 -5.120 4.839 1.00 . A A . 15 TYR HE1 1 1 28 9286 1 1 16 TYR HE2 H 5.935 -6.186 0.770 1.00 . A A . 15 TYR HE2 1 1 28 9287 1 1 16 TYR HH H 6.886 -7.573 2.236 1.00 . A A . 15 TYR HH 1 1 28 9288 1 1 16 TYR N N 5.601 0.502 1.540 1.00 . A A . 15 TYR N 1 1 28 9289 1 1 16 TYR O O 7.986 -1.762 0.822 1.00 . A A . 15 TYR O 1 1 28 9290 1 1 16 TYR OH O 6.950 -7.065 3.048 1.00 . A A . 15 TYR OH 1 1 28 9291 1 1 17 ASP C C 8.399 -0.124 -1.906 1.00 . A A . 16 ASP C 1 1 28 9292 1 1 17 ASP CA C 7.275 -1.208 -1.861 1.00 . A A . 16 ASP CA 1 1 28 9293 1 1 17 ASP CB C 6.410 -1.359 -3.120 1.00 . A A . 16 ASP CB 1 1 28 9294 1 1 17 ASP CG C 7.161 -1.816 -4.376 1.00 . A A . 16 ASP CG 1 1 28 9295 1 1 17 ASP H H 5.594 -0.399 -0.675 1.00 . A A . 16 ASP H 1 1 28 9296 1 1 17 ASP HA H 7.783 -2.144 -1.683 1.00 . A A . 16 ASP HA 1 1 28 9297 1 1 17 ASP HB2 H 5.571 -2.058 -2.935 1.00 . A A . 16 ASP HB2 1 1 28 9298 1 1 17 ASP HB3 H 5.948 -0.387 -3.304 1.00 . A A . 16 ASP HB3 1 1 28 9299 1 1 17 ASP HD2 H 6.908 -3.611 -3.668 1.00 . A A . 16 ASP HD2 1 1 28 9300 1 1 17 ASP N N 6.448 -0.974 -0.654 1.00 . A A . 16 ASP N 1 1 28 9301 1 1 17 ASP O O 9.550 -0.484 -2.171 1.00 . A A . 16 ASP O 1 1 28 9302 1 1 17 ASP OD1 O 7.586 -1.040 -5.231 1.00 . A A . 16 ASP OD1 1 1 28 9303 1 1 17 ASP OD2 O 7.305 -3.179 -4.427 1.00 . A A . 16 ASP OD2 1 1 28 9304 1 1 18 LYS C C 9.999 2.110 -0.302 1.00 . A A . 17 LYS C 1 1 28 9305 1 1 18 LYS CA C 9.104 2.253 -1.609 1.00 . A A . 17 LYS CA 1 1 28 9306 1 1 18 LYS CB C 8.390 3.628 -1.704 1.00 . A A . 17 LYS CB 1 1 28 9307 1 1 18 LYS CD C 8.548 6.167 -2.080 1.00 . A A . 17 LYS CD 1 1 28 9308 1 1 18 LYS CE C 9.479 7.371 -2.314 1.00 . A A . 17 LYS CE 1 1 28 9309 1 1 18 LYS CG C 9.319 4.839 -1.940 1.00 . A A . 17 LYS CG 1 1 28 9310 1 1 18 LYS H H 7.134 1.365 -1.311 1.00 . A A . 17 LYS H 1 1 28 9311 1 1 18 LYS HA H 9.732 2.132 -2.501 1.00 . A A . 17 LYS HA 1 1 28 9312 1 1 18 LYS HB2 H 7.659 3.603 -2.537 1.00 . A A . 17 LYS HB2 1 1 28 9313 1 1 18 LYS HB3 H 7.785 3.801 -0.792 1.00 . A A . 17 LYS HB3 1 1 28 9314 1 1 18 LYS HD2 H 7.826 6.086 -2.915 1.00 . A A . 17 LYS HD2 1 1 28 9315 1 1 18 LYS HD3 H 7.941 6.335 -1.169 1.00 . A A . 17 LYS HD3 1 1 28 9316 1 1 18 LYS HE2 H 10.198 7.472 -1.480 1.00 . A A . 17 LYS HE2 1 1 28 9317 1 1 18 LYS HE3 H 10.082 7.221 -3.228 1.00 . A A . 17 LYS HE3 1 1 28 9318 1 1 18 LYS HG2 H 10.040 4.925 -1.106 1.00 . A A . 17 LYS HG2 1 1 28 9319 1 1 18 LYS HG3 H 9.926 4.665 -2.849 1.00 . A A . 17 LYS HG3 1 1 28 9320 1 1 18 LYS HZ1 H 8.045 8.550 -3.216 1.00 . A A . 17 LYS HZ1 1 1 28 9321 1 1 18 LYS HZ3 H 8.151 8.782 -1.601 1.00 . A A . 17 LYS HZ3 1 1 28 9322 1 1 18 LYS N N 8.082 1.177 -1.666 1.00 . A A . 17 LYS N 1 1 28 9323 1 1 18 LYS NZ N 8.716 8.625 -2.443 1.00 . A A . 17 LYS NZ 1 1 28 9324 1 1 18 LYS O O 11.104 2.657 -0.255 1.00 . A A . 17 LYS O 1 1 28 9325 1 1 19 VAL C C 11.250 -0.056 1.804 1.00 . A A . 18 VAL C 1 1 28 9326 1 1 19 VAL CA C 10.216 1.082 2.008 1.00 . A A . 18 VAL CA 1 1 28 9327 1 1 19 VAL CB C 9.222 0.933 3.210 1.00 . A A . 18 VAL CB 1 1 28 9328 1 1 19 VAL CG1 C 9.772 0.267 4.476 1.00 . A A . 18 VAL CG1 1 1 28 9329 1 1 19 VAL CG2 C 8.535 2.259 3.589 1.00 . A A . 18 VAL CG2 1 1 28 9330 1 1 19 VAL H H 8.774 0.744 0.390 1.00 . A A . 18 VAL H 1 1 28 9331 1 1 19 VAL HA H 10.807 1.954 2.198 1.00 . A A . 18 VAL HA 1 1 28 9332 1 1 19 VAL HB H 8.438 0.250 2.917 1.00 . A A . 18 VAL HB 1 1 28 9333 1 1 19 VAL HG11 H 10.113 -0.760 4.250 1.00 . A A . 18 VAL HG11 1 1 28 9334 1 1 19 VAL HG12 H 8.978 0.166 5.240 1.00 . A A . 18 VAL HG12 1 1 28 9335 1 1 19 VAL HG13 H 10.614 0.835 4.902 1.00 . A A . 18 VAL HG13 1 1 28 9336 1 1 19 VAL HG21 H 7.785 2.109 4.388 1.00 . A A . 18 VAL HG21 1 1 28 9337 1 1 19 VAL HG22 H 7.990 2.687 2.727 1.00 . A A . 18 VAL HG22 1 1 28 9338 1 1 19 VAL HG23 H 9.257 3.014 3.942 1.00 . A A . 18 VAL HG23 1 1 28 9339 1 1 19 VAL N N 9.510 1.371 0.733 1.00 . A A . 18 VAL N 1 1 28 9340 1 1 19 VAL O O 12.423 0.132 2.145 1.00 . A A . 18 VAL O 1 1 28 9341 1 1 20 LYS C C 12.834 -2.030 -0.109 1.00 . A A . 19 LYS C 1 1 28 9342 1 1 20 LYS CA C 11.729 -2.358 0.970 1.00 . A A . 19 LYS CA 1 1 28 9343 1 1 20 LYS CB C 10.826 -3.553 0.544 1.00 . A A . 19 LYS CB 1 1 28 9344 1 1 20 LYS CD C 12.046 -5.536 1.719 1.00 . A A . 19 LYS CD 1 1 28 9345 1 1 20 LYS CE C 12.656 -6.946 1.588 1.00 . A A . 19 LYS CE 1 1 28 9346 1 1 20 LYS CG C 11.489 -4.943 0.404 1.00 . A A . 19 LYS CG 1 1 28 9347 1 1 20 LYS H H 9.825 -1.250 1.053 1.00 . A A . 19 LYS H 1 1 28 9348 1 1 20 LYS HA H 12.223 -2.619 1.918 1.00 . A A . 19 LYS HA 1 1 28 9349 1 1 20 LYS HB2 H 9.988 -3.662 1.260 1.00 . A A . 19 LYS HB2 1 1 28 9350 1 1 20 LYS HB3 H 10.339 -3.306 -0.420 1.00 . A A . 19 LYS HB3 1 1 28 9351 1 1 20 LYS HD2 H 12.832 -4.863 2.107 1.00 . A A . 19 LYS HD2 1 1 28 9352 1 1 20 LYS HD3 H 11.259 -5.539 2.498 1.00 . A A . 19 LYS HD3 1 1 28 9353 1 1 20 LYS HE2 H 13.407 -6.969 0.776 1.00 . A A . 19 LYS HE2 1 1 28 9354 1 1 20 LYS HE3 H 13.210 -7.190 2.513 1.00 . A A . 19 LYS HE3 1 1 28 9355 1 1 20 LYS HG2 H 10.734 -5.637 -0.011 1.00 . A A . 19 LYS HG2 1 1 28 9356 1 1 20 LYS HG3 H 12.288 -4.905 -0.360 1.00 . A A . 19 LYS HG3 1 1 28 9357 1 1 20 LYS HZ1 H 12.110 -8.912 1.260 1.00 . A A . 19 LYS HZ1 1 1 28 9358 1 1 20 LYS HZ3 H 11.166 -7.838 0.468 1.00 . A A . 19 LYS HZ3 1 1 28 9359 1 1 20 LYS N N 10.824 -1.217 1.272 1.00 . A A . 19 LYS N 1 1 28 9360 1 1 20 LYS NZ N 11.649 -8.000 1.358 1.00 . A A . 19 LYS NZ 1 1 28 9361 1 1 20 LYS O O 13.818 -2.767 -0.214 1.00 . A A . 19 LYS O 1 1 28 9362 1 1 21 GLU C C 14.738 0.423 -1.292 1.00 . A A . 20 GLU C 1 1 28 9363 1 1 21 GLU CA C 13.625 -0.459 -1.902 1.00 . A A . 20 GLU CA 1 1 28 9364 1 1 21 GLU CB C 12.815 0.165 -3.058 1.00 . A A . 20 GLU CB 1 1 28 9365 1 1 21 GLU CD C 14.233 -0.550 -5.099 1.00 . A A . 20 GLU CD 1 1 28 9366 1 1 21 GLU CG C 13.600 0.601 -4.310 1.00 . A A . 20 GLU CG 1 1 28 9367 1 1 21 GLU H H 11.990 -0.256 -0.519 1.00 . A A . 20 GLU H 1 1 28 9368 1 1 21 GLU HA H 14.103 -1.323 -2.306 1.00 . A A . 20 GLU HA 1 1 28 9369 1 1 21 GLU HB2 H 11.997 -0.517 -3.359 1.00 . A A . 20 GLU HB2 1 1 28 9370 1 1 21 GLU HB3 H 12.308 1.043 -2.647 1.00 . A A . 20 GLU HB3 1 1 28 9371 1 1 21 GLU HE2 H 12.486 -0.710 -5.942 1.00 . A A . 20 GLU HE2 1 1 28 9372 1 1 21 GLU HG2 H 12.916 1.164 -4.970 1.00 . A A . 20 GLU HG2 1 1 28 9373 1 1 21 GLU HG3 H 14.383 1.323 -4.017 1.00 . A A . 20 GLU HG3 1 1 28 9374 1 1 21 GLU N N 12.671 -0.930 -0.885 1.00 . A A . 20 GLU N 1 1 28 9375 1 1 21 GLU O O 15.917 0.070 -1.310 1.00 . A A . 20 GLU O 1 1 28 9376 1 1 21 GLU OE1 O 15.401 -0.908 -4.953 1.00 . A A . 20 GLU OE1 1 1 28 9377 1 1 21 GLU OE2 O 13.349 -1.128 -5.974 1.00 . A A . 20 GLU OE2 1 1 28 9378 1 1 22 NH2 HN1 H 13.577 1.963 -1.122 1.00 . A A . 21 NH2 HN1 1 1 28 9379 1 1 22 NH2 HN2 H 14.296 1.232 0.320 1.00 . A A . 21 NH2 HN2 1 1 28 9380 1 1 22 NH2 N N 14.379 1.521 -0.657 1.00 . A A . 21 NH2 N 1 1 29 9381 1 1 2 GLU C C -13.043 -2.806 -1.928 1.00 . A A . 1 ACE C 1 1 29 9382 1 1 2 GLU CA C -14.067 -0.644 -1.145 1.00 . A A . 1 ACE CA 1 1 29 9383 1 1 2 GLU CB C -15.323 -0.407 -0.238 1.00 . A A . 1 ACE CB 1 1 29 9384 1 1 2 GLU CD C -16.847 -2.522 -0.358 1.00 . A A . 1 ACE CD 1 1 29 9385 1 1 2 GLU CG C -16.667 -1.032 -0.671 1.00 . A A . 1 ACE CG 1 1 29 9386 1 1 2 GLU H H -14.359 -2.675 -0.479 1.00 . A A . 1 ACE H 1 1 29 9387 1 1 2 GLU HA H -14.420 -0.443 -2.172 1.00 . A A . 1 ACE HA 1 1 29 9388 1 1 2 GLU HB2 H -15.083 -0.646 0.815 1.00 . A A . 1 ACE HB2 1 1 29 9389 1 1 2 GLU HB3 H -15.531 0.673 -0.227 1.00 . A A . 1 ACE HB3 1 1 29 9390 1 1 2 GLU HE2 H -16.579 -2.785 -2.268 1.00 . A A . 1 ACE HE2 1 1 29 9391 1 1 2 GLU HG2 H -17.473 -0.480 -0.155 1.00 . A A . 1 ACE HG2 1 1 29 9392 1 1 2 GLU HG3 H -16.828 -0.830 -1.746 1.00 . A A . 1 ACE HG3 1 1 29 9393 1 1 2 GLU N N -13.710 -2.084 -1.007 1.00 . A A . 1 ACE N 1 1 29 9394 1 1 2 GLU O O -12.966 -4.021 -1.750 1.00 . A A . 1 ACE O 1 1 29 9395 1 1 2 GLU OE1 O -17.058 -2.956 0.775 1.00 . A A . 1 ACE OE1 1 1 29 9396 1 1 2 GLU OE2 O -16.746 -3.306 -1.479 1.00 . A A . 1 ACE OE2 1 1 29 9397 1 1 3 SER C C -11.081 2.150 0.949 1.00 . A A . 2 SER C 1 1 29 9398 1 1 3 SER CA C -12.135 2.596 -0.083 1.00 . A A . 2 SER CA 1 1 29 9399 1 1 3 SER CB C -12.859 3.871 0.363 1.00 . A A . 2 SER CB 1 1 29 9400 1 1 3 SER H H -14.157 1.754 -0.420 1.00 . A A . 2 SER H 1 1 29 9401 1 1 3 SER HA H -11.624 2.864 -1.007 1.00 . A A . 2 SER HA 1 1 29 9402 1 1 3 SER HB2 H -13.750 4.062 -0.252 1.00 . A A . 2 SER HB2 1 1 29 9403 1 1 3 SER HB3 H -13.234 3.722 1.376 1.00 . A A . 2 SER HB3 1 1 29 9404 1 1 3 SER HG H -11.720 5.097 -0.586 1.00 . A A . 2 SER HG 1 1 29 9405 1 1 3 SER N N -13.153 1.559 -0.418 1.00 . A A . 2 SER N 1 1 29 9406 1 1 3 SER O O -9.889 2.385 0.752 1.00 . A A . 2 SER O 1 1 29 9407 1 1 3 SER OG O -11.995 5.001 0.328 1.00 . A A . 2 SER OG 1 1 29 9408 1 1 4 ALA C C -9.951 -0.403 2.833 1.00 . A A . 3 ALA C 1 1 29 9409 1 1 4 ALA CA C -10.658 0.972 3.095 1.00 . A A . 3 ALA CA 1 1 29 9410 1 1 4 ALA CB C -11.427 0.968 4.414 1.00 . A A . 3 ALA CB 1 1 29 9411 1 1 4 ALA H H -12.578 1.506 2.042 1.00 . A A . 3 ALA H 1 1 29 9412 1 1 4 ALA HA H -9.812 1.668 3.125 1.00 . A A . 3 ALA HA 1 1 29 9413 1 1 4 ALA HB1 H -12.263 0.243 4.371 1.00 . A A . 3 ALA HB1 1 1 29 9414 1 1 4 ALA HB2 H -11.843 1.965 4.638 1.00 . A A . 3 ALA HB2 1 1 29 9415 1 1 4 ALA HB3 H -10.766 0.678 5.249 1.00 . A A . 3 ALA HB3 1 1 29 9416 1 1 4 ALA N N -11.554 1.521 2.039 1.00 . A A . 3 ALA N 1 1 29 9417 1 1 4 ALA O O -9.396 -1.060 3.718 1.00 . A A . 3 ALA O 1 1 29 9418 1 1 5 LYS C C -8.919 -1.653 -0.560 1.00 . A A . 4 LYS C 1 1 29 9419 1 1 5 LYS CA C -9.404 -1.959 0.919 1.00 . A A . 4 LYS CA 1 1 29 9420 1 1 5 LYS CB C -10.373 -3.160 1.038 1.00 . A A . 4 LYS CB 1 1 29 9421 1 1 5 LYS CD C -8.795 -5.008 1.960 1.00 . A A . 4 LYS CD 1 1 29 9422 1 1 5 LYS CE C -8.288 -6.449 1.770 1.00 . A A . 4 LYS CE 1 1 29 9423 1 1 5 LYS CG C -9.780 -4.575 0.853 1.00 . A A . 4 LYS CG 1 1 29 9424 1 1 5 LYS H H -10.586 -0.109 1.057 1.00 . A A . 4 LYS H 1 1 29 9425 1 1 5 LYS HA H -8.467 -2.092 1.482 1.00 . A A . 4 LYS HA 1 1 29 9426 1 1 5 LYS HB2 H -10.882 -3.129 2.018 1.00 . A A . 4 LYS HB2 1 1 29 9427 1 1 5 LYS HB3 H -11.178 -3.004 0.296 1.00 . A A . 4 LYS HB3 1 1 29 9428 1 1 5 LYS HD2 H -7.934 -4.313 1.981 1.00 . A A . 4 LYS HD2 1 1 29 9429 1 1 5 LYS HD3 H -9.288 -4.912 2.947 1.00 . A A . 4 LYS HD3 1 1 29 9430 1 1 5 LYS HE2 H -9.136 -7.160 1.760 1.00 . A A . 4 LYS HE2 1 1 29 9431 1 1 5 LYS HE3 H -7.782 -6.556 0.792 1.00 . A A . 4 LYS HE3 1 1 29 9432 1 1 5 LYS HG2 H -10.621 -5.294 0.822 1.00 . A A . 4 LYS HG2 1 1 29 9433 1 1 5 LYS HG3 H -9.296 -4.661 -0.136 1.00 . A A . 4 LYS HG3 1 1 29 9434 1 1 5 LYS HZ1 H -6.555 -6.190 2.862 1.00 . A A . 4 LYS HZ1 1 1 29 9435 1 1 5 LYS HZ3 H -7.805 -6.748 3.755 1.00 . A A . 4 LYS HZ3 1 1 29 9436 1 1 5 LYS N N -10.005 -0.773 1.562 1.00 . A A . 4 LYS N 1 1 29 9437 1 1 5 LYS NZ N -7.351 -6.837 2.839 1.00 . A A . 4 LYS NZ 1 1 29 9438 1 1 5 LYS O O -8.764 -2.538 -1.405 1.00 . A A . 4 LYS O 1 1 29 9439 1 1 6 HIS C C -7.046 1.220 -1.598 1.00 . A A . 5 HIS C 1 1 29 9440 1 1 6 HIS CA C -8.181 0.260 -2.063 1.00 . A A . 5 HIS CA 1 1 29 9441 1 1 6 HIS CB C -9.284 0.900 -2.934 1.00 . A A . 5 HIS CB 1 1 29 9442 1 1 6 HIS CD2 C -8.113 0.548 -5.218 1.00 . A A . 5 HIS CD2 1 1 29 9443 1 1 6 HIS CE1 C -8.159 2.526 -5.930 1.00 . A A . 5 HIS CE1 1 1 29 9444 1 1 6 HIS CG C -8.753 1.375 -4.281 1.00 . A A . 5 HIS CG 1 1 29 9445 1 1 6 HIS H H -9.259 0.193 -0.164 1.00 . A A . 5 HIS H 1 1 29 9446 1 1 6 HIS HA H -7.663 -0.533 -2.607 1.00 . A A . 5 HIS HA 1 1 29 9447 1 1 6 HIS HB2 H -10.088 0.165 -3.122 1.00 . A A . 5 HIS HB2 1 1 29 9448 1 1 6 HIS HB3 H -9.772 1.732 -2.389 1.00 . A A . 5 HIS HB3 1 1 29 9449 1 1 6 HIS HD2 H -7.939 -0.512 -5.101 1.00 . A A . 5 HIS HD2 1 1 29 9450 1 1 6 HIS HE1 H -8.004 3.377 -6.578 1.00 . A A . 5 HIS HE1 1 1 29 9451 1 1 6 HIS HE2 H -7.227 0.996 -7.166 1.00 . A A . 5 HIS HE2 1 1 29 9452 1 1 6 HIS N N -8.693 -0.358 -0.821 1.00 . A A . 5 HIS N 1 1 29 9453 1 1 6 HIS ND1 N -8.793 2.693 -4.724 1.00 . A A . 5 HIS ND1 1 1 29 9454 1 1 6 HIS NE2 N -7.722 1.287 -6.316 1.00 . A A . 5 HIS NE2 1 1 29 9455 1 1 6 HIS O O -5.969 1.194 -2.197 1.00 . A A . 5 HIS O 1 1 29 9456 1 1 7 MET C C -5.352 2.076 0.837 1.00 . A A . 6 MET C 1 1 29 9457 1 1 7 MET CA C -6.270 2.996 -0.001 1.00 . A A . 6 MET CA 1 1 29 9458 1 1 7 MET CB C -6.867 4.184 0.800 1.00 . A A . 6 MET CB 1 1 29 9459 1 1 7 MET CE C -9.222 7.338 -0.629 1.00 . A A . 6 MET CE 1 1 29 9460 1 1 7 MET CG C -8.008 4.937 0.094 1.00 . A A . 6 MET CG 1 1 29 9461 1 1 7 MET H H -8.143 1.952 -0.055 1.00 . A A . 6 MET H 1 1 29 9462 1 1 7 MET HA H -5.645 3.356 -0.820 1.00 . A A . 6 MET HA 1 1 29 9463 1 1 7 MET HB2 H -7.234 3.847 1.788 1.00 . A A . 6 MET HB2 1 1 29 9464 1 1 7 MET HB3 H -6.050 4.893 1.027 1.00 . A A . 6 MET HB3 1 1 29 9465 1 1 7 MET HE1 H -10.193 6.944 -0.280 1.00 . A A . 6 MET HE1 1 1 29 9466 1 1 7 MET HE2 H -9.086 7.043 -1.686 1.00 . A A . 6 MET HE2 1 1 29 9467 1 1 7 MET HE3 H -9.265 8.441 -0.584 1.00 . A A . 6 MET HE3 1 1 29 9468 1 1 7 MET HG2 H -7.997 4.713 -0.987 1.00 . A A . 6 MET HG2 1 1 29 9469 1 1 7 MET HG3 H -8.988 4.577 0.459 1.00 . A A . 6 MET HG3 1 1 29 9470 1 1 7 MET N N -7.283 2.091 -0.582 1.00 . A A . 6 MET N 1 1 29 9471 1 1 7 MET O O -4.152 2.123 0.609 1.00 . A A . 6 MET O 1 1 29 9472 1 1 7 MET SD S -7.871 6.718 0.392 1.00 . A A . 6 MET SD 1 1 29 9473 1 1 8 PHE C C -4.385 -0.787 1.645 1.00 . A A . 7 PHE C 1 1 29 9474 1 1 8 PHE CA C -5.102 0.262 2.550 1.00 . A A . 7 PHE CA 1 1 29 9475 1 1 8 PHE CB C -6.048 -0.421 3.562 1.00 . A A . 7 PHE CB 1 1 29 9476 1 1 8 PHE CD1 C -7.223 1.293 5.019 1.00 . A A . 7 PHE CD1 1 1 29 9477 1 1 8 PHE CD2 C -5.347 0.088 5.948 1.00 . A A . 7 PHE CD2 1 1 29 9478 1 1 8 PHE CE1 C -7.358 2.001 6.208 1.00 . A A . 7 PHE CE1 1 1 29 9479 1 1 8 PHE CE2 C -5.482 0.798 7.136 1.00 . A A . 7 PHE CE2 1 1 29 9480 1 1 8 PHE CG C -6.217 0.333 4.882 1.00 . A A . 7 PHE CG 1 1 29 9481 1 1 8 PHE CZ C -6.488 1.754 7.269 1.00 . A A . 7 PHE CZ 1 1 29 9482 1 1 8 PHE H H -6.902 1.144 1.707 1.00 . A A . 7 PHE H 1 1 29 9483 1 1 8 PHE HA H -4.323 0.828 3.066 1.00 . A A . 7 PHE HA 1 1 29 9484 1 1 8 PHE HB2 H -7.022 -0.526 3.077 1.00 . A A . 7 PHE HB2 1 1 29 9485 1 1 8 PHE HB3 H -5.763 -1.473 3.752 1.00 . A A . 7 PHE HB3 1 1 29 9486 1 1 8 PHE HD1 H -7.896 1.506 4.201 1.00 . A A . 7 PHE HD1 1 1 29 9487 1 1 8 PHE HD2 H -4.557 -0.645 5.856 1.00 . A A . 7 PHE HD2 1 1 29 9488 1 1 8 PHE HE1 H -8.137 2.743 6.284 1.00 . A A . 7 PHE HE1 1 1 29 9489 1 1 8 PHE HE2 H -4.793 0.600 7.941 1.00 . A A . 7 PHE HE2 1 1 29 9490 1 1 8 PHE HZ H -6.590 2.307 8.191 1.00 . A A . 7 PHE HZ 1 1 29 9491 1 1 8 PHE N N -5.887 1.235 1.753 1.00 . A A . 7 PHE N 1 1 29 9492 1 1 8 PHE O O -3.286 -1.221 1.996 1.00 . A A . 7 PHE O 1 1 29 9493 1 1 9 ASP C C -3.124 -1.473 -1.099 1.00 . A A . 8 ASP C 1 1 29 9494 1 1 9 ASP CA C -4.386 -2.143 -0.465 1.00 . A A . 8 ASP CA 1 1 29 9495 1 1 9 ASP CB C -5.427 -2.519 -1.545 1.00 . A A . 8 ASP CB 1 1 29 9496 1 1 9 ASP CG C -5.055 -3.724 -2.420 1.00 . A A . 8 ASP CG 1 1 29 9497 1 1 9 ASP H H -6.003 -0.926 0.507 1.00 . A A . 8 ASP H 1 1 29 9498 1 1 9 ASP HA H -4.135 -3.082 0.066 1.00 . A A . 8 ASP HA 1 1 29 9499 1 1 9 ASP HB2 H -6.370 -2.751 -1.040 1.00 . A A . 8 ASP HB2 1 1 29 9500 1 1 9 ASP HB3 H -5.663 -1.650 -2.187 1.00 . A A . 8 ASP HB3 1 1 29 9501 1 1 9 ASP HD2 H -4.293 -2.399 -3.625 1.00 . A A . 8 ASP HD2 1 1 29 9502 1 1 9 ASP N N -5.006 -1.194 0.509 1.00 . A A . 8 ASP N 1 1 29 9503 1 1 9 ASP O O -2.056 -2.090 -1.138 1.00 . A A . 8 ASP O 1 1 29 9504 1 1 9 ASP OD1 O -5.316 -4.887 -2.116 1.00 . A A . 8 ASP OD1 1 1 29 9505 1 1 9 ASP OD2 O -4.403 -3.350 -3.567 1.00 . A A . 8 ASP OD2 1 1 29 9506 1 1 10 ARG C C -1.117 0.886 -1.075 1.00 . A A . 9 ARG C 1 1 29 9507 1 1 10 ARG CA C -2.184 0.602 -2.153 1.00 . A A . 9 ARG CA 1 1 29 9508 1 1 10 ARG CB C -2.693 1.906 -2.806 1.00 . A A . 9 ARG CB 1 1 29 9509 1 1 10 ARG CD C -3.947 3.007 -4.768 1.00 . A A . 9 ARG CD 1 1 29 9510 1 1 10 ARG CG C -3.364 1.705 -4.184 1.00 . A A . 9 ARG CG 1 1 29 9511 1 1 10 ARG CZ C -4.884 3.783 -6.959 1.00 . A A . 9 ARG CZ 1 1 29 9512 1 1 10 ARG H H -4.250 0.138 -1.488 1.00 . A A . 9 ARG H 1 1 29 9513 1 1 10 ARG HA H -1.692 -0.026 -2.896 1.00 . A A . 9 ARG HA 1 1 29 9514 1 1 10 ARG HB2 H -3.378 2.433 -2.114 1.00 . A A . 9 ARG HB2 1 1 29 9515 1 1 10 ARG HB3 H -1.836 2.594 -2.940 1.00 . A A . 9 ARG HB3 1 1 29 9516 1 1 10 ARG HD2 H -4.788 3.360 -4.140 1.00 . A A . 9 ARG HD2 1 1 29 9517 1 1 10 ARG HD3 H -3.180 3.806 -4.743 1.00 . A A . 9 ARG HD3 1 1 29 9518 1 1 10 ARG HG2 H -2.616 1.279 -4.880 1.00 . A A . 9 ARG HG2 1 1 29 9519 1 1 10 ARG HG3 H -4.166 0.947 -4.108 1.00 . A A . 9 ARG HG3 1 1 29 9520 1 1 10 ARG HH11 H -4.740 5.277 -5.619 1.00 . A A . 9 ARG HH11 1 1 29 9521 1 1 10 ARG HH12 H -5.399 5.702 -7.278 1.00 . A A . 9 ARG HH12 1 1 29 9522 1 1 10 ARG HH21 H -5.126 2.479 -8.459 1.00 . A A . 9 ARG HH21 1 1 29 9523 1 1 10 ARG HH22 H -5.602 4.222 -8.776 1.00 . A A . 9 ARG HH22 1 1 29 9524 1 1 10 ARG N N -3.283 -0.210 -1.576 1.00 . A A . 9 ARG N 1 1 29 9525 1 1 10 ARG NE N -4.406 2.807 -6.163 1.00 . A A . 9 ARG NE 1 1 29 9526 1 1 10 ARG NH1 N -5.022 5.052 -6.579 1.00 . A A . 9 ARG NH1 1 1 29 9527 1 1 10 ARG NH2 N -5.240 3.462 -8.189 1.00 . A A . 9 ARG NH2 1 1 29 9528 1 1 10 ARG O O 0.026 0.468 -1.250 1.00 . A A . 9 ARG O 1 1 29 9529 1 1 11 ILE C C 0.271 0.579 1.643 1.00 . A A . 10 ILE C 1 1 29 9530 1 1 11 ILE CA C -0.584 1.818 1.209 1.00 . A A . 10 ILE CA 1 1 29 9531 1 1 11 ILE CB C -1.500 2.434 2.311 1.00 . A A . 10 ILE CB 1 1 29 9532 1 1 11 ILE CD1 C -3.149 4.407 2.667 1.00 . A A . 10 ILE CD1 1 1 29 9533 1 1 11 ILE CG1 C -1.926 3.877 1.924 1.00 . A A . 10 ILE CG1 1 1 29 9534 1 1 11 ILE CG2 C -0.981 2.367 3.757 1.00 . A A . 10 ILE CG2 1 1 29 9535 1 1 11 ILE H H -2.488 1.795 0.129 1.00 . A A . 10 ILE H 1 1 29 9536 1 1 11 ILE HA H 0.117 2.587 0.875 1.00 . A A . 10 ILE HA 1 1 29 9537 1 1 11 ILE HB H -2.394 1.806 2.330 1.00 . A A . 10 ILE HB 1 1 29 9538 1 1 11 ILE HD11 H -3.516 5.328 2.184 1.00 . A A . 10 ILE HD11 1 1 29 9539 1 1 11 ILE HD12 H -2.915 4.620 3.721 1.00 . A A . 10 ILE HD12 1 1 29 9540 1 1 11 ILE HD13 H -3.971 3.670 2.645 1.00 . A A . 10 ILE HD13 1 1 29 9541 1 1 11 ILE HG12 H -1.066 4.557 2.020 1.00 . A A . 10 ILE HG12 1 1 29 9542 1 1 11 ILE HG13 H -2.192 3.903 0.854 1.00 . A A . 10 ILE HG13 1 1 29 9543 1 1 11 ILE HG21 H -0.043 2.929 3.878 1.00 . A A . 10 ILE HG21 1 1 29 9544 1 1 11 ILE HG22 H -1.734 2.758 4.465 1.00 . A A . 10 ILE HG22 1 1 29 9545 1 1 11 ILE HG23 H -0.809 1.316 4.055 1.00 . A A . 10 ILE HG23 1 1 29 9546 1 1 11 ILE N N -1.489 1.529 0.048 1.00 . A A . 10 ILE N 1 1 29 9547 1 1 11 ILE O O 1.471 0.708 1.903 1.00 . A A . 10 ILE O 1 1 29 9548 1 1 12 GLY C C 1.410 -2.341 1.089 1.00 . A A . 11 GLY C 1 1 29 9549 1 1 12 GLY CA C 0.250 -1.890 2.018 1.00 . A A . 11 GLY CA 1 1 29 9550 1 1 12 GLY H H -1.393 -0.482 1.534 1.00 . A A . 11 GLY H 1 1 29 9551 1 1 12 GLY HA2 H 0.626 -1.817 3.050 1.00 . A A . 11 GLY HA2 1 1 29 9552 1 1 12 GLY HA3 H -0.526 -2.668 1.973 1.00 . A A . 11 GLY HA3 1 1 29 9553 1 1 12 GLY N N -0.387 -0.596 1.697 1.00 . A A . 11 GLY N 1 1 29 9554 1 1 12 GLY O O 2.208 -3.186 1.495 1.00 . A A . 11 GLY O 1 1 29 9555 1 1 13 LYS C C 2.764 -0.824 -2.042 1.00 . A A . 12 LYS C 1 1 29 9556 1 1 13 LYS CA C 2.475 -2.104 -1.174 1.00 . A A . 12 LYS CA 1 1 29 9557 1 1 13 LYS CB C 2.222 -3.433 -1.940 1.00 . A A . 12 LYS CB 1 1 29 9558 1 1 13 LYS CD C 3.307 -5.423 -3.243 1.00 . A A . 12 LYS CD 1 1 29 9559 1 1 13 LYS CE C 3.660 -6.564 -2.264 1.00 . A A . 12 LYS CE 1 1 29 9560 1 1 13 LYS CG C 3.451 -3.982 -2.702 1.00 . A A . 12 LYS CG 1 1 29 9561 1 1 13 LYS H H 0.563 -1.332 -0.385 1.00 . A A . 12 LYS H 1 1 29 9562 1 1 13 LYS HA H 3.414 -2.188 -0.602 1.00 . A A . 12 LYS HA 1 1 29 9563 1 1 13 LYS HB2 H 1.894 -4.201 -1.216 1.00 . A A . 12 LYS HB2 1 1 29 9564 1 1 13 LYS HB3 H 1.370 -3.314 -2.637 1.00 . A A . 12 LYS HB3 1 1 29 9565 1 1 13 LYS HD2 H 2.303 -5.578 -3.684 1.00 . A A . 12 LYS HD2 1 1 29 9566 1 1 13 LYS HD3 H 3.998 -5.518 -4.101 1.00 . A A . 12 LYS HD3 1 1 29 9567 1 1 13 LYS HE2 H 3.788 -7.502 -2.835 1.00 . A A . 12 LYS HE2 1 1 29 9568 1 1 13 LYS HE3 H 4.641 -6.374 -1.789 1.00 . A A . 12 LYS HE3 1 1 29 9569 1 1 13 LYS HG2 H 3.654 -3.314 -3.560 1.00 . A A . 12 LYS HG2 1 1 29 9570 1 1 13 LYS HG3 H 4.358 -3.916 -2.072 1.00 . A A . 12 LYS HG3 1 1 29 9571 1 1 13 LYS HZ1 H 2.955 -7.556 -0.596 1.00 . A A . 12 LYS HZ1 1 1 29 9572 1 1 13 LYS HZ3 H 2.558 -5.971 -0.621 1.00 . A A . 12 LYS HZ3 1 1 29 9573 1 1 13 LYS N N 1.419 -1.851 -0.165 1.00 . A A . 12 LYS N 1 1 29 9574 1 1 13 LYS NZ N 2.648 -6.801 -1.218 1.00 . A A . 12 LYS NZ 1 1 29 9575 1 1 13 LYS O O 2.848 -0.862 -3.272 1.00 . A A . 12 LYS O 1 1 29 9576 1 1 14 ASP C C 4.338 2.138 -0.896 1.00 . A A . 13 ASP C 1 1 29 9577 1 1 14 ASP CA C 3.293 1.647 -1.884 1.00 . A A . 13 ASP CA 1 1 29 9578 1 1 14 ASP CB C 2.101 2.581 -2.091 1.00 . A A . 13 ASP CB 1 1 29 9579 1 1 14 ASP CG C 2.351 3.765 -3.030 1.00 . A A . 13 ASP CG 1 1 29 9580 1 1 14 ASP H H 2.549 0.296 -0.392 1.00 . A A . 13 ASP H 1 1 29 9581 1 1 14 ASP HA H 3.854 1.516 -2.794 1.00 . A A . 13 ASP HA 1 1 29 9582 1 1 14 ASP HB2 H 1.258 1.989 -2.448 1.00 . A A . 13 ASP HB2 1 1 29 9583 1 1 14 ASP HB3 H 1.783 2.931 -1.109 1.00 . A A . 13 ASP HB3 1 1 29 9584 1 1 14 ASP HD2 H 2.980 4.681 -1.431 1.00 . A A . 13 ASP HD2 1 1 29 9585 1 1 14 ASP N N 2.951 0.311 -1.338 1.00 . A A . 13 ASP N 1 1 29 9586 1 1 14 ASP O O 5.460 2.400 -1.332 1.00 . A A . 13 ASP O 1 1 29 9587 1 1 14 ASP OD1 O 2.115 3.733 -4.237 1.00 . A A . 13 ASP OD1 1 1 29 9588 1 1 14 ASP OD2 O 2.866 4.852 -2.369 1.00 . A A . 13 ASP OD2 1 1 29 9589 1 1 15 VAL C C 5.307 1.535 2.344 1.00 . A A . 14 VAL C 1 1 29 9590 1 1 15 VAL CA C 4.967 2.761 1.412 1.00 . A A . 14 VAL CA 1 1 29 9591 1 1 15 VAL CB C 4.678 4.101 2.098 1.00 . A A . 14 VAL CB 1 1 29 9592 1 1 15 VAL CG1 C 4.621 5.223 1.048 1.00 . A A . 14 VAL CG1 1 1 29 9593 1 1 15 VAL CG2 C 3.413 4.069 2.973 1.00 . A A . 14 VAL CG2 1 1 29 9594 1 1 15 VAL H H 3.058 1.980 0.633 1.00 . A A . 14 VAL H 1 1 29 9595 1 1 15 VAL HA H 5.921 2.900 0.877 1.00 . A A . 14 VAL HA 1 1 29 9596 1 1 15 VAL HB H 5.569 4.290 2.719 1.00 . A A . 14 VAL HB 1 1 29 9597 1 1 15 VAL HG11 H 3.753 5.086 0.374 1.00 . A A . 14 VAL HG11 1 1 29 9598 1 1 15 VAL HG12 H 5.525 5.196 0.411 1.00 . A A . 14 VAL HG12 1 1 29 9599 1 1 15 VAL HG13 H 4.550 6.212 1.520 1.00 . A A . 14 VAL HG13 1 1 29 9600 1 1 15 VAL HG21 H 3.488 3.287 3.751 1.00 . A A . 14 VAL HG21 1 1 29 9601 1 1 15 VAL HG22 H 3.249 5.032 3.480 1.00 . A A . 14 VAL HG22 1 1 29 9602 1 1 15 VAL HG23 H 2.517 3.834 2.368 1.00 . A A . 14 VAL HG23 1 1 29 9603 1 1 15 VAL N N 3.964 2.369 0.382 1.00 . A A . 14 VAL N 1 1 29 9604 1 1 15 VAL O O 5.356 1.530 3.576 1.00 . A A . 14 VAL O 1 1 29 9605 1 1 16 TYR C C 6.904 -1.165 0.595 1.00 . A A . 15 TYR C 1 1 29 9606 1 1 16 TYR CA C 6.019 -0.849 1.847 1.00 . A A . 15 TYR CA 1 1 29 9607 1 1 16 TYR CB C 4.888 -1.849 2.147 1.00 . A A . 15 TYR CB 1 1 29 9608 1 1 16 TYR CD1 C 6.040 -3.676 3.490 1.00 . A A . 15 TYR CD1 1 1 29 9609 1 1 16 TYR CD2 C 5.341 -4.186 1.234 1.00 . A A . 15 TYR CD2 1 1 29 9610 1 1 16 TYR CE1 C 6.642 -4.928 3.586 1.00 . A A . 15 TYR CE1 1 1 29 9611 1 1 16 TYR CE2 C 5.944 -5.436 1.331 1.00 . A A . 15 TYR CE2 1 1 29 9612 1 1 16 TYR CG C 5.389 -3.294 2.314 1.00 . A A . 15 TYR CG 1 1 29 9613 1 1 16 TYR CZ C 6.594 -5.809 2.506 1.00 . A A . 15 TYR CZ 1 1 29 9614 1 1 16 TYR H H 5.162 0.787 0.634 1.00 . A A . 15 TYR H 1 1 29 9615 1 1 16 TYR HA H 6.676 -0.785 2.722 1.00 . A A . 15 TYR HA 1 1 29 9616 1 1 16 TYR HB2 H 4.339 -1.533 3.055 1.00 . A A . 15 TYR HB2 1 1 29 9617 1 1 16 TYR HB3 H 4.151 -1.774 1.336 1.00 . A A . 15 TYR HB3 1 1 29 9618 1 1 16 TYR HD1 H 6.131 -2.982 4.314 1.00 . A A . 15 TYR HD1 1 1 29 9619 1 1 16 TYR HD2 H 4.888 -3.893 0.297 1.00 . A A . 15 TYR HD2 1 1 29 9620 1 1 16 TYR HE1 H 7.168 -5.189 4.492 1.00 . A A . 15 TYR HE1 1 1 29 9621 1 1 16 TYR HE2 H 5.929 -6.096 0.477 1.00 . A A . 15 TYR HE2 1 1 29 9622 1 1 16 TYR HH H 7.617 -7.119 3.456 1.00 . A A . 15 TYR HH 1 1 29 9623 1 1 16 TYR N N 5.587 0.518 1.551 1.00 . A A . 15 TYR N 1 1 29 9624 1 1 16 TYR O O 7.984 -1.720 0.792 1.00 . A A . 15 TYR O 1 1 29 9625 1 1 16 TYR OH O 7.213 -7.031 2.589 1.00 . A A . 15 TYR OH 1 1 29 9626 1 1 17 ASP C C 8.404 -0.037 -1.906 1.00 . A A . 16 ASP C 1 1 29 9627 1 1 17 ASP CA C 7.279 -1.117 -1.881 1.00 . A A . 16 ASP CA 1 1 29 9628 1 1 17 ASP CB C 6.416 -1.234 -3.146 1.00 . A A . 16 ASP CB 1 1 29 9629 1 1 17 ASP CG C 7.159 -1.711 -4.399 1.00 . A A . 16 ASP CG 1 1 29 9630 1 1 17 ASP H H 5.589 -0.341 -0.684 1.00 . A A . 16 ASP H 1 1 29 9631 1 1 17 ASP HA H 7.793 -2.053 -1.729 1.00 . A A . 16 ASP HA 1 1 29 9632 1 1 17 ASP HB2 H 5.557 -1.906 -2.970 1.00 . A A . 16 ASP HB2 1 1 29 9633 1 1 17 ASP HB3 H 5.985 -0.248 -3.327 1.00 . A A . 16 ASP HB3 1 1 29 9634 1 1 17 ASP HD2 H 7.691 -3.374 -5.259 1.00 . A A . 16 ASP HD2 1 1 29 9635 1 1 17 ASP N N 6.449 -0.908 -0.670 1.00 . A A . 16 ASP N 1 1 29 9636 1 1 17 ASP O O 9.554 -0.397 -2.171 1.00 . A A . 16 ASP O 1 1 29 9637 1 1 17 ASP OD1 O 7.640 -0.945 -5.234 1.00 . A A . 16 ASP OD1 1 1 29 9638 1 1 17 ASP OD2 O 7.225 -3.079 -4.474 1.00 . A A . 16 ASP OD2 1 1 29 9639 1 1 18 LYS C C 10.010 2.166 -0.269 1.00 . A A . 17 LYS C 1 1 29 9640 1 1 18 LYS CA C 9.116 2.331 -1.574 1.00 . A A . 17 LYS CA 1 1 29 9641 1 1 18 LYS CB C 8.400 3.707 -1.646 1.00 . A A . 17 LYS CB 1 1 29 9642 1 1 18 LYS CD C 8.609 6.289 -1.916 1.00 . A A . 17 LYS CD 1 1 29 9643 1 1 18 LYS CE C 7.763 6.527 -3.184 1.00 . A A . 17 LYS CE 1 1 29 9644 1 1 18 LYS CG C 9.329 4.925 -1.865 1.00 . A A . 17 LYS CG 1 1 29 9645 1 1 18 LYS H H 7.140 1.446 -1.296 1.00 . A A . 17 LYS H 1 1 29 9646 1 1 18 LYS HA H 9.745 2.223 -2.467 1.00 . A A . 17 LYS HA 1 1 29 9647 1 1 18 LYS HB2 H 7.667 3.691 -2.476 1.00 . A A . 17 LYS HB2 1 1 29 9648 1 1 18 LYS HB3 H 7.798 3.865 -0.731 1.00 . A A . 17 LYS HB3 1 1 29 9649 1 1 18 LYS HD2 H 7.985 6.411 -1.010 1.00 . A A . 17 LYS HD2 1 1 29 9650 1 1 18 LYS HD3 H 9.379 7.081 -1.846 1.00 . A A . 17 LYS HD3 1 1 29 9651 1 1 18 LYS HE2 H 8.387 6.413 -4.090 1.00 . A A . 17 LYS HE2 1 1 29 9652 1 1 18 LYS HE3 H 6.959 5.774 -3.264 1.00 . A A . 17 LYS HE3 1 1 29 9653 1 1 18 LYS HG2 H 10.067 4.967 -1.043 1.00 . A A . 17 LYS HG2 1 1 29 9654 1 1 18 LYS HG3 H 9.928 4.784 -2.785 1.00 . A A . 17 LYS HG3 1 1 29 9655 1 1 18 LYS HZ1 H 6.572 7.992 -2.349 1.00 . A A . 17 LYS HZ1 1 1 29 9656 1 1 18 LYS HZ3 H 7.889 8.586 -3.114 1.00 . A A . 17 LYS HZ3 1 1 29 9657 1 1 18 LYS N N 8.090 1.260 -1.649 1.00 . A A . 17 LYS N 1 1 29 9658 1 1 18 LYS NZ N 7.157 7.870 -3.183 1.00 . A A . 17 LYS NZ 1 1 29 9659 1 1 18 LYS O O 11.117 2.707 -0.213 1.00 . A A . 17 LYS O 1 1 29 9660 1 1 19 VAL C C 11.241 -0.049 1.821 1.00 . A A . 18 VAL C 1 1 29 9661 1 1 19 VAL CA C 10.220 1.101 2.024 1.00 . A A . 18 VAL CA 1 1 29 9662 1 1 19 VAL CB C 9.216 0.958 3.219 1.00 . A A . 18 VAL CB 1 1 29 9663 1 1 19 VAL CG1 C 9.764 0.299 4.490 1.00 . A A . 18 VAL CG1 1 1 29 9664 1 1 19 VAL CG2 C 8.522 2.283 3.594 1.00 . A A . 18 VAL CG2 1 1 29 9665 1 1 19 VAL H H 8.769 0.802 0.405 1.00 . A A . 18 VAL H 1 1 29 9666 1 1 19 VAL HA H 10.822 1.962 2.223 1.00 . A A . 18 VAL HA 1 1 29 9667 1 1 19 VAL HB H 8.435 0.272 2.926 1.00 . A A . 18 VAL HB 1 1 29 9668 1 1 19 VAL HG11 H 10.107 -0.729 4.269 1.00 . A A . 18 VAL HG11 1 1 29 9669 1 1 19 VAL HG12 H 8.967 0.199 5.251 1.00 . A A . 18 VAL HG12 1 1 29 9670 1 1 19 VAL HG13 H 10.603 0.871 4.916 1.00 . A A . 18 VAL HG13 1 1 29 9671 1 1 19 VAL HG21 H 7.770 2.131 4.391 1.00 . A A . 18 VAL HG21 1 1 29 9672 1 1 19 VAL HG22 H 7.977 2.705 2.730 1.00 . A A . 18 VAL HG22 1 1 29 9673 1 1 19 VAL HG23 H 9.241 3.041 3.946 1.00 . A A . 18 VAL HG23 1 1 29 9674 1 1 19 VAL N N 9.518 1.411 0.752 1.00 . A A . 18 VAL N 1 1 29 9675 1 1 19 VAL O O 12.418 0.123 2.155 1.00 . A A . 18 VAL O 1 1 29 9676 1 1 20 LYS C C 12.760 -2.079 -0.122 1.00 . A A . 19 LYS C 1 1 29 9677 1 1 20 LYS CA C 11.679 -2.362 0.993 1.00 . A A . 19 LYS CA 1 1 29 9678 1 1 20 LYS CB C 10.733 -3.541 0.632 1.00 . A A . 19 LYS CB 1 1 29 9679 1 1 20 LYS CD C 10.376 -6.119 0.537 1.00 . A A . 19 LYS CD 1 1 29 9680 1 1 20 LYS CE C 9.467 -6.215 -0.707 1.00 . A A . 19 LYS CE 1 1 29 9681 1 1 20 LYS CG C 11.382 -4.944 0.591 1.00 . A A . 19 LYS CG 1 1 29 9682 1 1 20 LYS H H 9.804 -1.223 1.056 1.00 . A A . 19 LYS H 1 1 29 9683 1 1 20 LYS HA H 12.194 -2.615 1.932 1.00 . A A . 19 LYS HA 1 1 29 9684 1 1 20 LYS HB2 H 9.910 -3.584 1.372 1.00 . A A . 19 LYS HB2 1 1 29 9685 1 1 20 LYS HB3 H 10.241 -3.332 -0.339 1.00 . A A . 19 LYS HB3 1 1 29 9686 1 1 20 LYS HD2 H 10.932 -7.068 0.653 1.00 . A A . 19 LYS HD2 1 1 29 9687 1 1 20 LYS HD3 H 9.730 -6.069 1.434 1.00 . A A . 19 LYS HD3 1 1 29 9688 1 1 20 LYS HE2 H 8.713 -7.008 -0.544 1.00 . A A . 19 LYS HE2 1 1 29 9689 1 1 20 LYS HE3 H 8.888 -5.283 -0.842 1.00 . A A . 19 LYS HE3 1 1 29 9690 1 1 20 LYS HG2 H 12.082 -5.013 -0.261 1.00 . A A . 19 LYS HG2 1 1 29 9691 1 1 20 LYS HG3 H 12.009 -5.076 1.493 1.00 . A A . 19 LYS HG3 1 1 29 9692 1 1 20 LYS HZ1 H 10.864 -5.763 -2.160 1.00 . A A . 19 LYS HZ1 1 1 29 9693 1 1 20 LYS HZ3 H 9.558 -6.556 -2.743 1.00 . A A . 19 LYS HZ3 1 1 29 9694 1 1 20 LYS N N 10.798 -1.205 1.295 1.00 . A A . 19 LYS N 1 1 29 9695 1 1 20 LYS NZ N 10.206 -6.521 -1.948 1.00 . A A . 19 LYS NZ 1 1 29 9696 1 1 20 LYS O O 13.697 -2.868 -0.272 1.00 . A A . 19 LYS O 1 1 29 9697 1 1 21 GLU C C 14.721 0.330 -1.343 1.00 . A A . 20 GLU C 1 1 29 9698 1 1 21 GLU CA C 13.571 -0.525 -1.921 1.00 . A A . 20 GLU CA 1 1 29 9699 1 1 21 GLU CB C 12.751 0.114 -3.061 1.00 . A A . 20 GLU CB 1 1 29 9700 1 1 21 GLU CD C 14.101 -0.630 -5.138 1.00 . A A . 20 GLU CD 1 1 29 9701 1 1 21 GLU CG C 13.518 0.534 -4.330 1.00 . A A . 20 GLU CG 1 1 29 9702 1 1 21 GLU H H 11.973 -0.270 -0.500 1.00 . A A . 20 GLU H 1 1 29 9703 1 1 21 GLU HA H 14.015 -1.404 -2.331 1.00 . A A . 20 GLU HA 1 1 29 9704 1 1 21 GLU HB2 H 11.918 -0.556 -3.344 1.00 . A A . 20 GLU HB2 1 1 29 9705 1 1 21 GLU HB3 H 12.266 1.000 -2.643 1.00 . A A . 20 GLU HB3 1 1 29 9706 1 1 21 GLU HE2 H 15.723 -0.310 -4.109 1.00 . A A . 20 GLU HE2 1 1 29 9707 1 1 21 GLU HG2 H 12.826 1.101 -4.977 1.00 . A A . 20 GLU HG2 1 1 29 9708 1 1 21 GLU HG3 H 14.315 1.251 -4.060 1.00 . A A . 20 GLU HG3 1 1 29 9709 1 1 21 GLU N N 12.631 -0.960 -0.876 1.00 . A A . 20 GLU N 1 1 29 9710 1 1 21 GLU O O 15.889 -0.056 -1.384 1.00 . A A . 20 GLU O 1 1 29 9711 1 1 21 GLU OE1 O 13.466 -1.248 -5.992 1.00 . A A . 20 GLU OE1 1 1 29 9712 1 1 21 GLU OE2 O 15.402 -0.899 -4.796 1.00 . A A . 20 GLU OE2 1 1 29 9713 1 1 22 NH2 HN1 H 13.609 1.905 -1.162 1.00 . A A . 21 NH2 HN1 1 1 29 9714 1 1 22 NH2 HN2 H 14.337 1.165 0.270 1.00 . A A . 21 NH2 HN2 1 1 29 9715 1 1 22 NH2 N N 14.407 1.444 -0.711 1.00 . A A . 21 NH2 N 1 1 stop_ save_
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