NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
538239 | 2lg5 | 17797 | cing | 4-filtered-FRED | STAR | entry | full | 222 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2lg5 # This FRED archive file contains, for PDB entry <2lg5>: # # - 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_2lg5 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2lg5 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 3921.60 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 $Gallinacin_2 A . 1 1 stop_ save_ save_Gallinacin_2 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Gallinacin 2" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code LFCKGGSCHFGGCPSHLIKVGSCFGFRSCCKWPWNA _Entity.Number_of_monomers 36 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 LEU . 1 1 2 PHE . 1 1 3 CYS . 1 1 4 LYS . 1 1 5 GLY . 1 1 6 GLY . 1 1 7 SER . 1 1 8 CYS . 1 1 9 HIS . 1 1 10 PHE . 1 1 11 GLY . 1 1 12 GLY . 1 1 13 CYS . 1 1 14 PRO . 1 1 15 SER . 1 1 16 HIS . 1 1 17 LEU . 1 1 18 ILE . 1 1 19 LYS . 1 1 20 VAL . 1 1 21 GLY . 1 1 22 SER . 1 1 23 CYS . 1 1 24 PHE . 1 1 25 GLY . 1 1 26 PHE . 1 1 27 ARG . 1 1 28 SER . 1 1 29 CYS . 1 1 30 CYS . 1 1 31 LYS . 1 1 32 TRP . 1 1 33 PRO . 1 1 34 TRP . 1 1 35 ASN . 1 1 36 ALA . 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 LEU 1 1 1 1 PHE 2 2 1 1 CYS 3 3 1 1 LYS 4 4 1 1 GLY 5 5 1 1 GLY 6 6 1 1 SER 7 7 1 1 CYS 8 8 1 1 HIS 9 9 1 1 PHE 10 10 1 1 GLY 11 11 1 1 GLY 12 12 1 1 CYS 13 13 1 1 PRO 14 14 1 1 SER 15 15 1 1 HIS 16 16 1 1 LEU 17 17 1 1 ILE 18 18 1 1 LYS 19 19 1 1 VAL 20 20 1 1 GLY 21 21 1 1 SER 22 22 1 1 CYS 23 23 1 1 PHE 24 24 1 1 GLY 25 25 1 1 PHE 26 26 1 1 ARG 27 27 1 1 SER 28 28 1 1 CYS 29 29 1 1 CYS 30 30 1 1 LYS 31 31 1 1 TRP 32 32 1 1 PRO 33 33 1 1 TRP 34 34 1 1 ASN 35 35 1 1 ALA 36 36 1 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 212 1 . . . 1 1 213 1 . . . 1 1 214 1 . . . 1 1 215 1 . . . 1 1 216 1 . . . 1 1 217 1 . . . 1 1 218 1 . . . 1 1 219 1 . . . 1 1 220 1 . . . 1 1 221 1 . . . 1 1 222 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 LEU HA . 1 . HA 1 1 1 1 2 1 1 2 PHE H . 2 . HN 1 1 2 1 1 1 1 1 LEU QB . 1 . HB1 1 1 2 1 1 1 1 1 LEU HG . 1 . HG 1 1 2 1 2 1 1 3 CYS H . 3 . HN 1 1 3 1 1 1 1 1 LEU QB . 1 . HB1 1 1 3 1 2 1 1 31 LYS QG . 31 . HG1 1 1 3 1 2 1 1 36 ALA MB . 36 . HB1 1 1 4 1 1 1 1 1 LEU HG . 1 . HG 1 1 4 1 2 1 1 20 VAL QG . 20 . HG21 1 1 5 1 1 1 1 1 LEU HG . 1 . HG 1 1 5 1 2 1 1 31 LYS QB . 31 . HB1 1 1 6 1 1 1 1 1 LEU HG . 1 . HG 1 1 6 1 2 1 1 31 LYS QE . 31 . HE1 1 1 7 1 1 1 1 1 LEU HG . 1 . HG 1 1 7 1 2 1 1 31 LYS QG . 31 . HG2 1 1 8 1 1 1 1 1 LEU HG . 1 . HG 1 1 8 1 2 1 1 31 LYS QG . 31 . HG1 1 1 8 1 2 1 1 36 ALA MB . 36 . HB1 1 1 9 1 1 1 1 2 PHE HA . 2 . HA 1 1 9 1 2 1 1 3 CYS H . 3 . HN 1 1 10 1 1 1 1 2 PHE QB . 2 . HB2 1 1 10 1 2 1 1 3 CYS H . 3 . HN 1 1 11 1 1 1 1 2 PHE QB . 2 . HB1 1 1 11 1 2 1 1 23 CYS HA . 23 . HA 1 1 12 1 1 1 1 3 CYS H . 3 . HN 1 1 12 1 2 1 1 4 LYS H . 4 . HN 1 1 13 1 1 1 1 3 CYS QB . 3 . HB2 1 1 13 1 1 1 1 29 CYS QB . 29 . HB1 1 1 13 1 2 1 1 4 LYS H . 4 . HN 1 1 14 1 1 1 1 4 LYS H . 4 . HN 1 1 14 1 2 1 1 5 GLY H . 5 . HN 1 1 15 1 1 1 1 4 LYS HA . 4 . HA 1 1 15 1 2 1 1 5 GLY H . 5 . HN 1 1 16 1 1 1 1 4 LYS HA . 4 . HA 1 1 16 1 2 1 1 6 GLY H . 6 . HN 1 1 17 1 1 1 1 4 LYS QB . 4 . HB2 1 1 17 1 1 1 1 4 LYS QD . 4 . HD1 1 1 17 1 2 1 1 5 GLY H . 5 . HN 1 1 18 1 1 1 1 4 LYS QB . 4 . HB1 1 1 18 1 2 1 1 5 GLY H . 5 . HN 1 1 19 1 1 1 1 4 LYS QD . 4 . HD1 1 1 19 1 1 1 1 14 PRO QB . 14 . HB2 1 1 19 1 2 1 1 17 LEU QD . 17 . HD11 1 1 20 1 1 1 1 4 LYS QG . 4 . HG1 1 1 20 1 2 1 1 5 GLY H . 5 . HN 1 1 21 1 1 1 1 5 GLY H . 5 . HN 1 1 21 1 2 1 1 6 GLY H . 6 . HN 1 1 22 1 1 1 1 5 GLY QA . 5 . HA2 1 1 22 1 2 1 1 6 GLY H . 6 . HN 1 1 23 1 1 1 1 5 GLY QA . 5 . HA1 1 1 23 1 1 1 1 33 PRO HA . 33 . HA 1 1 23 1 2 1 1 31 LYS QG . 31 . HG1 1 1 23 1 2 1 1 36 ALA MB . 36 . HB1 1 1 24 1 1 1 1 6 GLY H . 6 . HN 1 1 24 1 1 1 1 24 PHE H . 24 . HN 1 1 24 1 2 1 1 23 CYS HA . 23 . HA 1 1 24 1 2 1 1 31 LYS HA . 31 . HA 1 1 25 1 1 1 1 6 GLY H . 6 . HN 1 1 25 1 2 1 1 31 LYS QE . 31 . HE1 1 1 26 1 1 1 1 6 GLY QA . 6 . HA1 1 1 26 1 2 1 1 7 SER H . 7 . HN 1 1 27 1 1 1 1 6 GLY QA . 6 . HA2 1 1 27 1 1 1 1 28 SER QB . 28 . HB1 1 1 27 1 2 1 1 7 SER H . 7 . HN 1 1 27 1 2 1 1 22 SER H . 22 . HN 1 1 28 1 1 1 1 6 GLY QA . 6 . HA2 1 1 28 1 1 1 1 28 SER QB . 28 . HB1 1 1 28 1 2 1 1 29 CYS H . 29 . HN 1 1 29 1 1 1 1 6 GLY QA . 6 . HA2 1 1 29 1 2 1 1 31 LYS HA . 31 . HA 1 1 30 1 1 1 1 6 GLY QA . 6 . HA2 1 1 30 1 2 1 1 31 LYS QE . 31 . HE1 1 1 31 1 1 1 1 6 GLY QA . 6 . HA1 1 1 31 1 2 1 1 31 LYS QG . 31 . HG2 1 1 32 1 1 1 1 7 SER H . 7 . HN 1 1 32 1 2 1 1 30 CYS H . 30 . HN 1 1 33 1 1 1 1 7 SER H . 7 . HN 1 1 33 1 2 1 1 30 CYS QB . 30 . HB1 1 1 34 1 1 1 1 7 SER HA . 7 . HA 1 1 34 1 1 1 1 19 LYS HA . 19 . HA 1 1 34 1 2 1 1 8 CYS H . 8 . HN 1 1 34 1 2 1 1 20 VAL H . 20 . HN 1 1 35 1 1 1 1 7 SER QB . 7 . HB1 1 1 35 1 2 1 1 8 CYS H . 8 . HN 1 1 36 1 1 1 1 7 SER QB . 7 . HB2 1 1 36 1 1 1 1 28 SER QB . 28 . HB1 1 1 36 1 2 1 1 8 CYS H . 8 . HN 1 1 36 1 2 1 1 20 VAL H . 20 . HN 1 1 37 1 1 1 1 7 SER QB . 7 . HB1 1 1 37 1 2 1 1 9 HIS HD2 . 9 . HD2 1 1 38 1 1 1 1 7 SER QB . 7 . HB2 1 1 38 1 1 1 1 28 SER QB . 28 . HB1 1 1 38 1 2 1 1 9 HIS HD2 . 9 . HD2 1 1 39 1 1 1 1 8 CYS H . 8 . HN 1 1 39 1 2 1 1 9 HIS H . 9 . HN 1 1 40 1 1 1 1 8 CYS H . 8 . HN 1 1 40 1 1 1 1 20 VAL H . 20 . HN 1 1 40 1 2 1 1 19 LYS QD . 19 . HD1 1 1 40 1 2 1 1 27 ARG QB . 27 . HB1 1 1 40 1 2 1 1 31 LYS QB . 31 . HB2 1 1 41 1 1 1 1 8 CYS H . 8 . HN 1 1 41 1 1 1 1 20 VAL H . 20 . HN 1 1 41 1 2 1 1 21 GLY QA . 21 . HA1 1 1 42 1 1 1 1 8 CYS HA . 8 . HA 1 1 42 1 2 1 1 9 HIS H . 9 . HN 1 1 43 1 1 1 1 8 CYS HA . 8 . HA 1 1 43 1 2 1 1 9 HIS HD2 . 9 . HD2 1 1 44 1 1 1 1 8 CYS HA . 8 . HA 1 1 44 1 2 1 1 27 ARG QB . 27 . HB2 1 1 45 1 1 1 1 8 CYS HA . 8 . HA 1 1 45 1 2 1 1 27 ARG QD . 27 . HD1 1 1 46 1 1 1 1 8 CYS HA . 8 . HA 1 1 46 1 2 1 1 29 CYS HA . 29 . HA 1 1 47 1 1 1 1 8 CYS HA . 8 . HA 1 1 47 1 2 1 1 30 CYS H . 30 . HN 1 1 48 1 1 1 1 8 CYS QB . 8 . HB2 1 1 48 1 2 1 1 9 HIS H . 9 . HN 1 1 49 1 1 1 1 8 CYS QB . 8 . HB1 1 1 49 1 1 1 1 9 HIS QB . 9 . HB2 1 1 49 1 2 1 1 10 PHE HZ . 10 . HZ 1 1 50 1 1 1 1 8 CYS QB . 8 . HB1 1 1 50 1 1 1 1 9 HIS QB . 9 . HB2 1 1 50 1 2 1 1 19 LYS QD . 19 . HD2 1 1 50 1 2 1 1 27 ARG QB . 27 . HB1 1 1 51 1 1 1 1 8 CYS QB . 8 . HB1 1 1 51 1 1 1 1 9 HIS QB . 9 . HB2 1 1 51 1 2 1 1 27 ARG QB . 27 . HB2 1 1 52 1 1 1 1 8 CYS QB . 8 . HB1 1 1 52 1 1 1 1 9 HIS QB . 9 . HB2 1 1 52 1 2 1 1 28 SER QB . 28 . HB1 1 1 53 1 1 1 1 8 CYS QB . 8 . HB1 1 1 53 1 2 1 1 10 PHE QE . 10 . HE1 1 1 54 1 1 1 1 8 CYS QB . 8 . HB1 1 1 54 1 2 1 1 22 SER HA . 22 . HA 1 1 55 1 1 1 1 8 CYS QB . 8 . HB2 1 1 55 1 2 1 1 23 CYS QB . 23 . HB1 1 1 56 1 1 1 1 8 CYS QB . 8 . HB2 1 1 56 1 2 1 1 27 ARG QB . 27 . HB1 1 1 57 1 1 1 1 8 CYS QB . 8 . HB2 1 1 57 1 2 1 1 27 ARG QD . 27 . HD2 1 1 58 1 1 1 1 8 CYS QB . 8 . HB1 1 1 58 1 2 1 1 28 SER HA . 28 . HA 1 1 59 1 1 1 1 8 CYS QB . 8 . HB1 1 1 59 1 2 1 1 29 CYS H . 29 . HN 1 1 60 1 1 1 1 9 HIS H . 9 . HN 1 1 60 1 2 1 1 9 HIS HD2 . 9 . HD2 1 1 61 1 1 1 1 9 HIS H . 9 . HN 1 1 61 1 2 1 1 27 ARG HA . 27 . HA 1 1 62 1 1 1 1 9 HIS H . 9 . HN 1 1 62 1 2 1 1 27 ARG QB . 27 . HB2 1 1 63 1 1 1 1 9 HIS H . 9 . HN 1 1 63 1 2 1 1 27 ARG QG . 27 . HG1 1 1 64 1 1 1 1 9 HIS H . 9 . HN 1 1 64 1 2 1 1 28 SER H . 28 . HN 1 1 65 1 1 1 1 9 HIS H . 9 . HN 1 1 65 1 2 1 1 28 SER QB . 28 . HB1 1 1 66 1 1 1 1 9 HIS HA . 9 . HA 1 1 66 1 1 1 1 13 CYS HA . 13 . HA 1 1 66 1 2 1 1 10 PHE H . 10 . HN 1 1 67 1 1 1 1 9 HIS HA . 9 . HA 1 1 67 1 2 1 1 10 PHE QD . 10 . HD1 1 1 68 1 1 1 1 9 HIS QB . 9 . HB1 1 1 68 1 2 1 1 10 PHE H . 10 . HN 1 1 69 1 1 1 1 9 HIS QB . 9 . HB2 1 1 69 1 2 1 1 13 CYS QB . 13 . HB1 1 1 70 1 1 1 1 9 HIS QB . 9 . HB2 1 1 70 1 2 1 1 19 LYS QB . 19 . HB2 1 1 71 1 1 1 1 9 HIS QB . 9 . HB2 1 1 71 1 2 1 1 19 LYS QG . 19 . HG1 1 1 72 1 1 1 1 9 HIS QB . 9 . HB2 1 1 72 1 2 1 1 28 SER H . 28 . HN 1 1 73 1 1 1 1 9 HIS HD2 . 9 . HD2 1 1 73 1 2 1 1 17 LEU QD . 17 . HD11 1 1 74 1 1 1 1 9 HIS HD2 . 9 . HD2 1 1 74 1 2 1 1 30 CYS H . 30 . HN 1 1 75 1 1 1 1 9 HIS HD2 . 9 . HD2 1 1 75 1 2 1 1 30 CYS QB . 30 . HB1 1 1 76 1 1 1 1 10 PHE H . 10 . HN 1 1 76 1 2 1 1 11 GLY H . 11 . HN 1 1 77 1 1 1 1 10 PHE HA . 10 . HA 1 1 77 1 2 1 1 11 GLY H . 11 . HN 1 1 78 1 1 1 1 10 PHE HA . 10 . HA 1 1 78 1 2 1 1 27 ARG QD . 27 . HD1 1 1 79 1 1 1 1 10 PHE QB . 10 . HB1 1 1 79 1 2 1 1 11 GLY H . 11 . HN 1 1 80 1 1 1 1 10 PHE QB . 10 . HB2 1 1 80 1 1 1 1 14 PRO QD . 14 . HD1 1 1 80 1 2 1 1 11 GLY H . 11 . HN 1 1 81 1 1 1 1 10 PHE QD . 10 . HD1 1 1 81 1 2 1 1 11 GLY H . 11 . HN 1 1 82 1 1 1 1 10 PHE QD . 10 . HD1 1 1 82 1 2 1 1 27 ARG QB . 27 . HB1 1 1 83 1 1 1 1 10 PHE QD . 10 . HD1 1 1 83 1 2 1 1 27 ARG QG . 27 . HG1 1 1 84 1 1 1 1 11 GLY H . 11 . HN 1 1 84 1 2 1 1 12 GLY H . 12 . HN 1 1 85 1 1 1 1 11 GLY H . 11 . HN 1 1 85 1 2 1 1 28 SER H . 28 . HN 1 1 86 1 1 1 1 11 GLY QA . 11 . HA1 1 1 86 1 2 1 1 12 GLY H . 12 . HN 1 1 87 1 1 1 1 12 GLY H . 12 . HN 1 1 87 1 2 1 1 13 CYS H . 13 . HN 1 1 88 1 1 1 1 12 GLY QA . 12 . HA1 1 1 88 1 2 1 1 13 CYS H . 13 . HN 1 1 89 1 1 1 1 13 CYS H . 13 . HN 1 1 89 1 1 1 1 16 HIS HE1 . 16 . HE1 1 1 89 1 2 1 1 14 PRO QB . 14 . HB1 1 1 90 1 1 1 1 13 CYS HA . 13 . HA 1 1 90 1 2 1 1 14 PRO QD . 14 . HD1 1 1 91 1 1 1 1 13 CYS HA . 13 . HA 1 1 91 1 1 1 1 31 LYS HA . 31 . HA 1 1 91 1 2 1 1 17 LEU QD . 17 . HD21 1 1 92 1 1 1 1 13 CYS QB . 13 . HB1 1 1 92 1 2 1 1 14 PRO QD . 14 . HD1 1 1 93 1 1 1 1 13 CYS QB . 13 . HB1 1 1 93 1 2 1 1 16 HIS HA . 16 . HA 1 1 93 1 2 1 1 18 ILE HA . 18 . HA 1 1 94 1 1 1 1 13 CYS QB . 13 . HB1 1 1 94 1 2 1 1 17 LEU H . 17 . HN 1 1 95 1 1 1 1 13 CYS QB . 13 . HB1 1 1 95 1 2 1 1 17 LEU QB . 17 . HB1 1 1 96 1 1 1 1 13 CYS QB . 13 . HB1 1 1 96 1 2 1 1 17 LEU QD . 17 . HD11 1 1 97 1 1 1 1 13 CYS QB . 13 . HB1 1 1 97 1 2 1 1 17 LEU HG . 17 . HG 1 1 98 1 1 1 1 13 CYS QB . 13 . HB1 1 1 98 1 2 1 1 30 CYS HA . 30 . HA 1 1 99 1 1 1 1 14 PRO QB . 14 . HB1 1 1 99 1 2 1 1 15 SER H . 15 . HN 1 1 100 1 1 1 1 14 PRO QB . 14 . HB2 1 1 100 1 2 1 1 15 SER QB . 15 . HB2 1 1 101 1 1 1 1 14 PRO QD . 14 . HD1 1 1 101 1 2 1 1 17 LEU QD . 17 . HD11 1 1 102 1 1 1 1 15 SER H . 15 . HN 1 1 102 1 2 1 1 17 LEU H . 17 . HN 1 1 103 1 1 1 1 15 SER HA . 15 . HA 1 1 103 1 2 1 1 16 HIS H . 16 . HN 1 1 104 1 1 1 1 15 SER HA . 15 . HA 1 1 104 1 1 1 1 33 PRO QD . 33 . HD1 1 1 104 1 2 1 1 17 LEU H . 17 . HN 1 1 105 1 1 1 1 15 SER QB . 15 . HB1 1 1 105 1 2 1 1 16 HIS H . 16 . HN 1 1 106 1 1 1 1 16 HIS H . 16 . HN 1 1 106 1 2 1 1 16 HIS HD2 . 16 . HD2 1 1 107 1 1 1 1 16 HIS H . 16 . HN 1 1 107 1 2 1 1 17 LEU H . 17 . HN 1 1 108 1 1 1 1 16 HIS HA . 16 . HA 1 1 108 1 2 1 1 17 LEU H . 17 . HN 1 1 109 1 1 1 1 16 HIS QB . 16 . HB1 1 1 109 1 2 1 1 17 LEU H . 17 . HN 1 1 110 1 1 1 1 16 HIS QB . 16 . HB1 1 1 110 1 2 1 1 32 TRP HZ3 . 32 . HZ3 1 1 110 1 2 1 1 34 TRP HH2 . 34 . HH2 1 1 111 1 1 1 1 16 HIS HD2 . 16 . HD2 1 1 111 1 2 1 1 17 LEU QD . 17 . HD21 1 1 112 1 1 1 1 17 LEU HA . 17 . HA 1 1 112 1 2 1 1 18 ILE H . 18 . HN 1 1 113 1 1 1 1 17 LEU HA . 17 . HA 1 1 113 1 1 1 1 20 VAL HA . 20 . HA 1 1 113 1 2 1 1 31 LYS H . 31 . HN 1 1 114 1 1 1 1 17 LEU HA . 17 . HA 1 1 114 1 2 1 1 32 TRP HA . 32 . HA 1 1 115 1 1 1 1 17 LEU HA . 17 . HA 1 1 115 1 2 1 1 33 PRO QD . 33 . HD1 1 1 116 1 1 1 1 17 LEU QB . 17 . HB1 1 1 116 1 1 1 1 31 LYS QG . 31 . HG1 1 1 116 1 2 1 1 18 ILE H . 18 . HN 1 1 117 1 1 1 1 17 LEU QB . 17 . HB2 1 1 117 1 1 1 1 18 ILE MG . 18 . HG21 1 1 117 1 2 1 1 31 LYS H . 31 . HN 1 1 118 1 1 1 1 17 LEU QB . 17 . HB1 1 1 118 1 2 1 1 30 CYS HA . 30 . HA 1 1 119 1 1 1 1 17 LEU QB . 17 . HB1 1 1 119 1 2 1 1 30 CYS QB . 30 . HB1 1 1 120 1 1 1 1 17 LEU QD . 17 . HD21 1 1 120 1 2 1 1 18 ILE H . 18 . HN 1 1 121 1 1 1 1 17 LEU QD . 17 . HD11 1 1 121 1 2 1 1 30 CYS HA . 30 . HA 1 1 122 1 1 1 1 17 LEU QD . 17 . HD11 1 1 122 1 2 1 1 30 CYS QB . 30 . HB2 1 1 123 1 1 1 1 17 LEU QD . 17 . HD11 1 1 123 1 2 1 1 31 LYS QB . 31 . HB2 1 1 124 1 1 1 1 17 LEU QD . 17 . HD11 1 1 124 1 2 1 1 31 LYS QE . 31 . HE1 1 1 125 1 1 1 1 17 LEU QD . 17 . HD21 1 1 125 1 2 1 1 32 TRP H . 32 . HN 1 1 126 1 1 1 1 17 LEU QD . 17 . HD21 1 1 126 1 2 1 1 32 TRP HA . 32 . HA 1 1 127 1 1 1 1 17 LEU QD . 17 . HD21 1 1 127 1 2 1 1 32 TRP HD1 . 32 . HD1 1 1 128 1 1 1 1 17 LEU QD . 17 . HD11 1 1 128 1 2 1 1 32 TRP HE3 . 32 . HE3 1 1 129 1 1 1 1 17 LEU QD . 17 . HD21 1 1 129 1 2 1 1 32 TRP HH2 . 32 . HH2 1 1 130 1 1 1 1 17 LEU QD . 17 . HD21 1 1 130 1 2 1 1 32 TRP HZ2 . 32 . HZ2 1 1 131 1 1 1 1 17 LEU QD . 17 . HD21 1 1 131 1 2 1 1 32 TRP HZ3 . 32 . HZ3 1 1 132 1 1 1 1 17 LEU HG . 17 . HG 1 1 132 1 2 1 1 18 ILE H . 18 . HN 1 1 133 1 1 1 1 17 LEU HG . 17 . HG 1 1 133 1 2 1 1 30 CYS HA . 30 . HA 1 1 134 1 1 1 1 17 LEU HG . 17 . HG 1 1 134 1 2 1 1 30 CYS QB . 30 . HB1 1 1 135 1 1 1 1 17 LEU HG . 17 . HG 1 1 135 1 2 1 1 31 LYS H . 31 . HN 1 1 136 1 1 1 1 18 ILE H . 18 . HN 1 1 136 1 2 1 1 31 LYS H . 31 . HN 1 1 137 1 1 1 1 18 ILE HA . 18 . HA 1 1 137 1 2 1 1 19 LYS H . 19 . HN 1 1 138 1 1 1 1 18 ILE HA . 18 . HA 1 1 138 1 2 1 1 33 PRO HA . 33 . HA 1 1 139 1 1 1 1 18 ILE HB . 18 . HB 1 1 139 1 1 1 1 19 LYS QB . 19 . HB2 1 1 139 1 2 1 1 20 VAL H . 20 . HN 1 1 140 1 1 1 1 18 ILE HB . 18 . HB 1 1 140 1 2 1 1 31 LYS H . 31 . HN 1 1 141 1 1 1 1 18 ILE MD . 18 . HD11 1 1 141 1 2 1 1 33 PRO HA . 33 . HA 1 1 142 1 1 1 1 18 ILE MD . 18 . HD11 1 1 142 1 2 1 1 33 PRO QB . 33 . HB1 1 1 143 1 1 1 1 18 ILE QG . 18 . HG11 1 1 143 1 1 1 1 19 LYS QG . 19 . HG1 1 1 143 1 2 1 1 20 VAL H . 20 . HN 1 1 144 1 1 1 1 18 ILE QG . 18 . HG12 1 1 144 1 2 1 1 33 PRO HA . 33 . HA 1 1 145 1 1 1 1 18 ILE MG . 18 . HG21 1 1 145 1 2 1 1 19 LYS H . 19 . HN 1 1 146 1 1 1 1 18 ILE MG . 18 . HG21 1 1 146 1 2 1 1 33 PRO QB . 33 . HB1 1 1 147 1 1 1 1 18 ILE MG . 18 . HG21 1 1 147 1 2 1 1 34 TRP H . 34 . HN 1 1 148 1 1 1 1 19 LYS H . 19 . HN 1 1 148 1 2 1 1 19 LYS QD . 19 . HD1 1 1 149 1 1 1 1 19 LYS HA . 19 . HA 1 1 149 1 2 1 1 28 SER QB . 28 . HB2 1 1 150 1 1 1 1 19 LYS HA . 19 . HA 1 1 150 1 2 1 1 30 CYS HA . 30 . HA 1 1 151 1 1 1 1 19 LYS QB . 19 . HB1 1 1 151 1 2 1 1 20 VAL H . 20 . HN 1 1 152 1 1 1 1 19 LYS QD . 19 . HD1 1 1 152 1 2 1 1 21 GLY H . 21 . HN 1 1 153 1 1 1 1 19 LYS QD . 19 . HD1 1 1 153 1 2 1 1 28 SER QB . 28 . HB2 1 1 154 1 1 1 1 19 LYS QD . 19 . HD1 1 1 154 1 2 1 1 29 CYS H . 29 . HN 1 1 155 1 1 1 1 19 LYS QG . 19 . HG1 1 1 155 1 2 1 1 21 GLY H . 21 . HN 1 1 156 1 1 1 1 20 VAL H . 20 . HN 1 1 156 1 2 1 1 21 GLY H . 21 . HN 1 1 157 1 1 1 1 20 VAL H . 20 . HN 1 1 157 1 2 1 1 30 CYS HA . 30 . HA 1 1 158 1 1 1 1 20 VAL H . 20 . HN 1 1 158 1 2 1 1 31 LYS H . 31 . HN 1 1 159 1 1 1 1 20 VAL HA . 20 . HA 1 1 159 1 2 1 1 21 GLY H . 21 . HN 1 1 160 1 1 1 1 20 VAL HB . 20 . HB 1 1 160 1 2 1 1 21 GLY H . 21 . HN 1 1 161 1 1 1 1 20 VAL HB . 20 . HB 1 1 161 1 2 1 1 31 LYS QE . 31 . HE1 1 1 162 1 1 1 1 20 VAL QG . 20 . HG11 1 1 162 1 2 1 1 21 GLY H . 21 . HN 1 1 163 1 1 1 1 20 VAL QG . 20 . HG21 1 1 163 1 2 1 1 30 CYS HA . 30 . HA 1 1 164 1 1 1 1 20 VAL QG . 20 . HG21 1 1 164 1 2 1 1 31 LYS H . 31 . HN 1 1 165 1 1 1 1 20 VAL QG . 20 . HG21 1 1 165 1 2 1 1 31 LYS QB . 31 . HB2 1 1 166 1 1 1 1 20 VAL QG . 20 . HG11 1 1 166 1 2 1 1 31 LYS QE . 31 . HE1 1 1 167 1 1 1 1 20 VAL QG . 20 . HG11 1 1 167 1 2 1 1 31 LYS QG . 31 . HG1 1 1 167 1 2 1 1 36 ALA MB . 36 . HB1 1 1 168 1 1 1 1 20 VAL QG . 20 . HG21 1 1 168 1 2 1 1 35 ASN QD . 35 . HD22 1 1 169 1 1 1 1 21 GLY H . 21 . HN 1 1 169 1 2 1 1 29 CYS H . 29 . HN 1 1 170 1 1 1 1 21 GLY H . 21 . HN 1 1 170 1 2 1 1 29 CYS QB . 29 . HB2 1 1 171 1 1 1 1 21 GLY QA . 21 . HA1 1 1 171 1 2 1 1 22 SER H . 22 . HN 1 1 172 1 1 1 1 21 GLY QA . 21 . HA1 1 1 172 1 2 1 1 29 CYS QB . 29 . HB1 1 1 173 1 1 1 1 22 SER HA . 22 . HA 1 1 173 1 2 1 1 23 CYS H . 23 . HN 1 1 174 1 1 1 1 22 SER HA . 22 . HA 1 1 174 1 2 1 1 28 SER HA . 28 . HA 1 1 175 1 1 1 1 22 SER HA . 22 . HA 1 1 175 1 2 1 1 29 CYS H . 29 . HN 1 1 176 1 1 1 1 22 SER HA . 22 . HA 1 1 176 1 2 1 1 29 CYS QB . 29 . HB1 1 1 177 1 1 1 1 22 SER QB . 22 . HB1 1 1 177 1 2 1 1 23 CYS H . 23 . HN 1 1 178 1 1 1 1 23 CYS H . 23 . HN 1 1 178 1 2 1 1 27 ARG QB . 27 . HB2 1 1 179 1 1 1 1 23 CYS H . 23 . HN 1 1 179 1 2 1 1 28 SER HA . 28 . HA 1 1 180 1 1 1 1 23 CYS H . 23 . HN 1 1 180 1 2 1 1 29 CYS H . 29 . HN 1 1 181 1 1 1 1 23 CYS QB . 23 . HB1 1 1 181 1 2 1 1 24 PHE H . 24 . HN 1 1 182 1 1 1 1 23 CYS QB . 23 . HB1 1 1 182 1 2 1 1 24 PHE QD . 24 . HD1 1 1 183 1 1 1 1 23 CYS QB . 23 . HB1 1 1 183 1 2 1 1 27 ARG H . 27 . HN 1 1 184 1 1 1 1 23 CYS QB . 23 . HB1 1 1 184 1 2 1 1 27 ARG QB . 27 . HB1 1 1 185 1 1 1 1 23 CYS QB . 23 . HB1 1 1 185 1 2 1 1 27 ARG HE . 27 . HE 1 1 186 1 1 1 1 24 PHE H . 24 . HN 1 1 186 1 2 1 1 25 GLY H . 25 . HN 1 1 187 1 1 1 1 24 PHE HA . 24 . HA 1 1 187 1 2 1 1 25 GLY H . 25 . HN 1 1 187 1 2 1 1 26 PHE H . 26 . HN 1 1 188 1 1 1 1 24 PHE QB . 24 . HB1 1 1 188 1 2 1 1 25 GLY H . 25 . HN 1 1 189 1 1 1 1 24 PHE QD . 24 . HD1 1 1 189 1 2 1 1 25 GLY QA . 25 . HA1 1 1 190 1 1 1 1 26 PHE H . 26 . HN 1 1 190 1 2 1 1 27 ARG H . 27 . HN 1 1 191 1 1 1 1 26 PHE HA . 26 . HA 1 1 191 1 2 1 1 27 ARG H . 27 . HN 1 1 192 1 1 1 1 26 PHE QB . 26 . HB2 1 1 192 1 2 1 1 27 ARG H . 27 . HN 1 1 193 1 1 1 1 27 ARG QB . 27 . HB2 1 1 193 1 2 1 1 28 SER H . 28 . HN 1 1 194 1 1 1 1 28 SER HA . 28 . HA 1 1 194 1 2 1 1 29 CYS H . 29 . HN 1 1 195 1 1 1 1 29 CYS HA . 29 . HA 1 1 195 1 2 1 1 30 CYS H . 30 . HN 1 1 196 1 1 1 1 29 CYS QB . 29 . HB1 1 1 196 1 2 1 1 30 CYS H . 30 . HN 1 1 197 1 1 1 1 30 CYS HA . 30 . HA 1 1 197 1 2 1 1 31 LYS H . 31 . HN 1 1 198 1 1 1 1 30 CYS QB . 30 . HB2 1 1 198 1 2 1 1 31 LYS H . 31 . HN 1 1 199 1 1 1 1 31 LYS HA . 31 . HA 1 1 199 1 2 1 1 32 TRP H . 32 . HN 1 1 200 1 1 1 1 31 LYS QB . 31 . HB1 1 1 200 1 2 1 1 32 TRP H . 32 . HN 1 1 201 1 1 1 1 31 LYS QB . 31 . HB1 1 1 201 1 2 1 1 35 ASN QB . 35 . HB2 1 1 202 1 1 1 1 32 TRP H . 32 . HN 1 1 202 1 2 1 1 32 TRP HD1 . 32 . HD1 1 1 203 1 1 1 1 32 TRP HA . 32 . HA 1 1 203 1 2 1 1 33 PRO QD . 33 . HD1 1 1 204 1 1 1 1 32 TRP QB . 32 . HB1 1 1 204 1 2 1 1 33 PRO QD . 33 . HD2 1 1 205 1 1 1 1 32 TRP QB . 32 . HB2 1 1 205 1 2 1 1 34 TRP H . 34 . HN 1 1 205 1 2 1 1 34 TRP HZ3 . 34 . HZ3 1 1 206 1 1 1 1 32 TRP QB . 32 . HB2 1 1 206 1 2 1 1 34 TRP HD1 . 34 . HD1 1 1 207 1 1 1 1 32 TRP QB . 32 . HB1 1 1 207 1 2 1 1 35 ASN H . 35 . HN 1 1 208 1 1 1 1 32 TRP QB . 32 . HB1 1 1 208 1 2 1 1 35 ASN QB . 35 . HB1 1 1 209 1 1 1 1 32 TRP HE3 . 32 . HE3 1 1 209 1 2 1 1 33 PRO QD . 33 . HD1 1 1 210 1 1 1 1 32 TRP HE3 . 32 . HE3 1 1 210 1 2 1 1 34 TRP H . 34 . HN 1 1 210 1 2 1 1 34 TRP HZ3 . 34 . HZ3 1 1 211 1 1 1 1 33 PRO HA . 33 . HA 1 1 211 1 2 1 1 34 TRP H . 34 . HN 1 1 212 1 1 1 1 33 PRO HA . 33 . HA 1 1 212 1 2 1 1 35 ASN H . 35 . HN 1 1 213 1 1 1 1 33 PRO QB . 33 . HB2 1 1 213 1 2 1 1 34 TRP H . 34 . HN 1 1 213 1 2 1 1 34 TRP HZ3 . 34 . HZ3 1 1 214 1 1 1 1 33 PRO QB . 33 . HB2 1 1 214 1 2 1 1 34 TRP HE3 . 34 . HE3 1 1 215 1 1 1 1 33 PRO QD . 33 . HD2 1 1 215 1 2 1 1 34 TRP H . 34 . HN 1 1 215 1 2 1 1 34 TRP HZ3 . 34 . HZ3 1 1 216 1 1 1 1 33 PRO QD . 33 . HD2 1 1 216 1 2 1 1 34 TRP HH2 . 34 . HH2 1 1 217 1 1 1 1 33 PRO QG . 33 . HG1 1 1 217 1 2 1 1 34 TRP H . 34 . HN 1 1 217 1 2 1 1 34 TRP HZ3 . 34 . HZ3 1 1 218 1 1 1 1 33 PRO QG . 33 . HG1 1 1 218 1 2 1 1 34 TRP HE3 . 34 . HE3 1 1 219 1 1 1 1 34 TRP H . 34 . HN 1 1 219 1 2 1 1 35 ASN H . 35 . HN 1 1 220 1 1 1 1 34 TRP HA . 34 . HA 1 1 220 1 2 1 1 35 ASN H . 35 . HN 1 1 221 1 1 1 1 34 TRP QB . 34 . HB1 1 1 221 1 2 1 1 35 ASN H . 35 . HN 1 1 222 1 1 1 1 35 ASN H . 35 . HN 1 1 222 1 2 1 1 36 ALA H . 36 . HN 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 6.0 5.9 6.1 1 1 2 1 . . . . . 6.0 5.9 6.1 1 1 3 1 . . . . . 6.0 5.9 6.1 1 1 4 1 . . . . . 6.0 5.9 6.1 1 1 5 1 . . . . . 6.0 5.9 6.1 1 1 6 1 . . . . . 6.0 5.9 6.1 1 1 7 1 . . . . . 6.0 5.9 6.1 1 1 8 1 . . . . . 6.0 5.9 6.1 1 1 9 1 . . . . . 6.0 5.9 6.1 1 1 10 1 . . . . . 6.0 5.9 6.1 1 1 11 1 . . . . . 6.0 5.9 6.1 1 1 12 1 . . . . . 6.0 5.9 6.1 1 1 13 1 . . . . . 6.0 5.9 6.1 1 1 14 1 . . . . . 6.0 5.9 6.1 1 1 15 1 . . . . . 6.0 5.9 6.1 1 1 16 1 . . . . . 6.0 5.9 6.1 1 1 17 1 . . . . . 6.0 5.9 6.1 1 1 18 1 . . . . . 6.0 5.9 6.1 1 1 19 1 . . . . . 6.0 5.9 6.1 1 1 20 1 . . . . . 6.0 5.9 6.1 1 1 21 1 . . . . . 6.0 5.9 6.1 1 1 22 1 . . . . . 6.0 5.9 6.1 1 1 23 1 . . . . . 6.0 5.9 6.1 1 1 24 1 . . . . . 6.0 5.9 6.1 1 1 25 1 . . . . . 6.0 5.9 6.1 1 1 26 1 . . . . . 6.0 5.9 6.1 1 1 27 1 . . . . . 6.0 5.9 6.1 1 1 28 1 . . . . . 6.0 5.9 6.1 1 1 29 1 . . . . . 6.0 5.9 6.1 1 1 30 1 . . . . . 6.0 5.9 6.1 1 1 31 1 . . . . . 6.0 5.9 6.1 1 1 32 1 . . . . . 6.0 5.9 6.1 1 1 33 1 . . . . . 6.0 5.9 6.1 1 1 34 1 . . . . . 6.0 5.9 6.1 1 1 35 1 . . . . . 6.0 5.9 6.1 1 1 36 1 . . . . . 6.0 5.9 6.1 1 1 37 1 . . . . . 6.0 5.9 6.1 1 1 38 1 . . . . . 6.0 5.9 6.1 1 1 39 1 . . . . . 6.0 5.9 6.1 1 1 40 1 . . . . . 6.0 5.9 6.1 1 1 41 1 . . . . . 6.0 5.9 6.1 1 1 42 1 . . . . . 6.0 5.9 6.1 1 1 43 1 . . . . . 6.0 5.9 6.1 1 1 44 1 . . . . . 6.0 5.9 6.1 1 1 45 1 . . . . . 6.0 5.9 6.1 1 1 46 1 . . . . . 6.0 5.9 6.1 1 1 47 1 . . . . . 6.0 5.9 6.1 1 1 48 1 . . . . . 6.0 5.9 6.1 1 1 49 1 . . . . . 6.0 5.9 6.1 1 1 50 1 . . . . . 6.0 5.9 6.1 1 1 51 1 . . . . . 6.0 5.9 6.1 1 1 52 1 . . . . . 6.0 5.9 6.1 1 1 53 1 . . . . . 6.0 5.9 6.1 1 1 54 1 . . . . . 6.0 5.9 6.1 1 1 55 1 . . . . . 6.0 5.9 6.1 1 1 56 1 . . . . . 6.0 5.9 6.1 1 1 57 1 . . . . . 6.0 5.9 6.1 1 1 58 1 . . . . . 6.0 5.9 6.1 1 1 59 1 . . . . . 6.0 5.9 6.1 1 1 60 1 . . . . . 6.0 5.9 6.1 1 1 61 1 . . . . . 6.0 5.9 6.1 1 1 62 1 . . . . . 6.0 5.9 6.1 1 1 63 1 . . . . . 6.0 5.9 6.1 1 1 64 1 . . . . . 6.0 5.9 6.1 1 1 65 1 . . . . . 6.0 5.9 6.1 1 1 66 1 . . . . . 6.0 5.9 6.1 1 1 67 1 . . . . . 6.0 5.9 6.1 1 1 68 1 . . . . . 6.0 5.9 6.1 1 1 69 1 . . . . . 6.0 5.9 6.1 1 1 70 1 . . . . . 6.0 5.9 6.1 1 1 71 1 . . . . . 6.0 5.9 6.1 1 1 72 1 . . . . . 6.0 5.9 6.1 1 1 73 1 . . . . . 6.0 5.9 6.1 1 1 74 1 . . . . . 6.0 5.9 6.1 1 1 75 1 . . . . . 6.0 5.9 6.1 1 1 76 1 . . . . . 6.0 5.9 6.1 1 1 77 1 . . . . . 6.0 5.9 6.1 1 1 78 1 . . . . . 6.0 5.9 6.1 1 1 79 1 . . . . . 6.0 5.9 6.1 1 1 80 1 . . . . . 6.0 5.9 6.1 1 1 81 1 . . . . . 6.0 5.9 6.1 1 1 82 1 . . . . . 6.0 5.9 6.1 1 1 83 1 . . . . . 6.0 5.9 6.1 1 1 84 1 . . . . . 6.0 5.9 6.1 1 1 85 1 . . . . . 6.0 5.9 6.1 1 1 86 1 . . . . . 6.0 5.9 6.1 1 1 87 1 . . . . . 6.0 5.9 6.1 1 1 88 1 . . . . . 6.0 5.9 6.1 1 1 89 1 . . . . . 6.0 5.9 6.1 1 1 90 1 . . . . . 6.0 5.9 6.1 1 1 91 1 . . . . . 6.0 5.9 6.1 1 1 92 1 . . . . . 6.0 5.9 6.1 1 1 93 1 . . . . . 6.0 5.9 6.1 1 1 94 1 . . . . . 6.0 5.9 6.1 1 1 95 1 . . . . . 6.0 5.9 6.1 1 1 96 1 . . . . . 6.0 5.9 6.1 1 1 97 1 . . . . . 6.0 5.9 6.1 1 1 98 1 . . . . . 6.0 5.9 6.1 1 1 99 1 . . . . . 6.0 5.9 6.1 1 1 100 1 . . . . . 6.0 5.9 6.1 1 1 101 1 . . . . . 6.0 5.9 6.1 1 1 102 1 . . . . . 6.0 5.9 6.1 1 1 103 1 . . . . . 6.0 5.9 6.1 1 1 104 1 . . . . . 6.0 5.9 6.1 1 1 105 1 . . . . . 6.0 5.9 6.1 1 1 106 1 . . . . . 6.0 5.9 6.1 1 1 107 1 . . . . . 6.0 5.9 6.1 1 1 108 1 . . . . . 6.0 5.9 6.1 1 1 109 1 . . . . . 6.0 5.9 6.1 1 1 110 1 . . . . . 6.0 5.9 6.1 1 1 111 1 . . . . . 6.0 5.9 6.1 1 1 112 1 . . . . . 6.0 5.9 6.1 1 1 113 1 . . . . . 6.0 5.9 6.1 1 1 114 1 . . . . . 6.0 5.9 6.1 1 1 115 1 . . . . . 6.0 5.9 6.1 1 1 116 1 . . . . . 6.0 5.9 6.1 1 1 117 1 . . . . . 6.0 5.9 6.1 1 1 118 1 . . . . . 6.0 5.9 6.1 1 1 119 1 . . . . . 6.0 5.9 6.1 1 1 120 1 . . . . . 6.0 5.9 6.1 1 1 121 1 . . . . . 6.0 5.9 6.1 1 1 122 1 . . . . . 6.0 5.9 6.1 1 1 123 1 . . . . . 6.0 5.9 6.1 1 1 124 1 . . . . . 6.0 5.9 6.1 1 1 125 1 . . . . . 6.0 5.9 6.1 1 1 126 1 . . . . . 6.0 5.9 6.1 1 1 127 1 . . . . . 6.0 5.9 6.1 1 1 128 1 . . . . . 6.0 5.9 6.1 1 1 129 1 . . . . . 6.0 5.9 6.1 1 1 130 1 . . . . . 6.0 5.9 6.1 1 1 131 1 . . . . . 6.0 5.9 6.1 1 1 132 1 . . . . . 6.0 5.9 6.1 1 1 133 1 . . . . . 6.0 5.9 6.1 1 1 134 1 . . . . . 6.0 5.9 6.1 1 1 135 1 . . . . . 6.0 5.9 6.1 1 1 136 1 . . . . . 6.0 5.9 6.1 1 1 137 1 . . . . . 6.0 5.9 6.1 1 1 138 1 . . . . . 6.0 5.9 6.1 1 1 139 1 . . . . . 6.0 5.9 6.1 1 1 140 1 . . . . . 6.0 5.9 6.1 1 1 141 1 . . . . . 6.0 5.9 6.1 1 1 142 1 . . . . . 6.0 5.9 6.1 1 1 143 1 . . . . . 6.0 5.9 6.1 1 1 144 1 . . . . . 6.0 5.9 6.1 1 1 145 1 . . . . . 6.0 5.9 6.1 1 1 146 1 . . . . . 6.0 5.9 6.1 1 1 147 1 . . . . . 6.0 5.9 6.1 1 1 148 1 . . . . . 6.0 5.9 6.1 1 1 149 1 . . . . . 6.0 5.9 6.1 1 1 150 1 . . . . . 6.0 5.9 6.1 1 1 151 1 . . . . . 6.0 5.9 6.1 1 1 152 1 . . . . . 6.0 5.9 6.1 1 1 153 1 . . . . . 6.0 5.9 6.1 1 1 154 1 . . . . . 6.0 5.9 6.1 1 1 155 1 . . . . . 6.0 5.9 6.1 1 1 156 1 . . . . . 6.0 5.9 6.1 1 1 157 1 . . . . . 6.0 5.9 6.1 1 1 158 1 . . . . . 6.0 5.9 6.1 1 1 159 1 . . . . . 6.0 5.9 6.1 1 1 160 1 . . . . . 6.0 5.9 6.1 1 1 161 1 . . . . . 6.0 5.9 6.1 1 1 162 1 . . . . . 6.0 5.9 6.1 1 1 163 1 . . . . . 6.0 5.9 6.1 1 1 164 1 . . . . . 6.0 5.9 6.1 1 1 165 1 . . . . . 6.0 5.9 6.1 1 1 166 1 . . . . . 6.0 5.9 6.1 1 1 167 1 . . . . . 6.0 5.9 6.1 1 1 168 1 . . . . . 6.0 5.9 6.1 1 1 169 1 . . . . . 6.0 5.9 6.1 1 1 170 1 . . . . . 6.0 5.9 6.1 1 1 171 1 . . . . . 6.0 5.9 6.1 1 1 172 1 . . . . . 6.0 5.9 6.1 1 1 173 1 . . . . . 6.0 5.9 6.1 1 1 174 1 . . . . . 6.0 5.9 6.1 1 1 175 1 . . . . . 6.0 5.9 6.1 1 1 176 1 . . . . . 6.0 5.9 6.1 1 1 177 1 . . . . . 6.0 5.9 6.1 1 1 178 1 . . . . . 6.0 5.9 6.1 1 1 179 1 . . . . . 6.0 5.9 6.1 1 1 180 1 . . . . . 6.0 5.9 6.1 1 1 181 1 . . . . . 6.0 5.9 6.1 1 1 182 1 . . . . . 6.0 5.9 6.1 1 1 183 1 . . . . . 6.0 5.9 6.1 1 1 184 1 . . . . . 6.0 5.9 6.1 1 1 185 1 . . . . . 6.0 5.9 6.1 1 1 186 1 . . . . . 6.0 5.9 6.1 1 1 187 1 . . . . . 6.0 5.9 6.1 1 1 188 1 . . . . . 6.0 5.9 6.1 1 1 189 1 . . . . . 6.0 5.9 6.1 1 1 190 1 . . . . . 6.0 5.9 6.1 1 1 191 1 . . . . . 6.0 5.9 6.1 1 1 192 1 . . . . . 6.0 5.9 6.1 1 1 193 1 . . . . . 6.0 5.9 6.1 1 1 194 1 . . . . . 6.0 5.9 6.1 1 1 195 1 . . . . . 6.0 5.9 6.1 1 1 196 1 . . . . . 6.0 5.9 6.1 1 1 197 1 . . . . . 6.0 5.9 6.1 1 1 198 1 . . . . . 6.0 5.9 6.1 1 1 199 1 . . . . . 6.0 5.9 6.1 1 1 200 1 . . . . . 6.0 5.9 6.1 1 1 201 1 . . . . . 6.0 5.9 6.1 1 1 202 1 . . . . . 6.0 5.9 6.1 1 1 203 1 . . . . . 6.0 5.9 6.1 1 1 204 1 . . . . . 6.0 5.9 6.1 1 1 205 1 . . . . . 6.0 5.9 6.1 1 1 206 1 . . . . . 6.0 5.9 6.1 1 1 207 1 . . . . . 6.0 5.9 6.1 1 1 208 1 . . . . . 6.0 5.9 6.1 1 1 209 1 . . . . . 6.0 5.9 6.1 1 1 210 1 . . . . . 6.0 5.9 6.1 1 1 211 1 . . . . . 6.0 5.9 6.1 1 1 212 1 . . . . . 6.0 5.9 6.1 1 1 213 1 . . . . . 6.0 5.9 6.1 1 1 214 1 . . . . . 6.0 5.9 6.1 1 1 215 1 . . . . . 6.0 5.9 6.1 1 1 216 1 . . . . . 6.0 5.9 6.1 1 1 217 1 . . . . . 6.0 5.9 6.1 1 1 218 1 . . . . . 6.0 5.9 6.1 1 1 219 1 . . . . . 6.0 5.9 6.1 1 1 220 1 . . . . . 6.0 5.9 6.1 1 1 221 1 . . . . . 6.0 5.9 6.1 1 1 222 1 . . . . . 6.0 5.9 6.1 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 LEU C C 1.618 3.416 -7.101 1.00 . A A . 1 LEU C 1 1 1 2 1 1 1 LEU CA C 2.838 2.776 -6.438 1.00 . A A . 1 LEU CA 1 1 1 3 1 1 1 LEU CB C 3.712 3.833 -5.749 1.00 . A A . 1 LEU CB 1 1 1 4 1 1 1 LEU CD1 C 4.156 5.380 -3.826 1.00 . A A . 1 LEU CD1 1 1 1 5 1 1 1 LEU CD2 C 1.820 5.076 -4.659 1.00 . A A . 1 LEU CD2 1 1 1 6 1 1 1 LEU CG C 3.164 4.400 -4.436 1.00 . A A . 1 LEU CG 1 1 1 7 1 1 1 LEU H1 H 3.816 2.735 -8.270 1.00 . A A . 1 LEU H1 1 1 1 8 1 1 1 LEU H2 H 3.189 1.242 -7.795 1.00 . A A . 1 LEU H2 1 1 1 9 1 1 1 LEU H3 H 4.587 1.842 -7.063 1.00 . A A . 1 LEU H3 1 1 1 10 1 1 1 LEU HA H 2.515 2.046 -5.714 1.00 . A A . 1 LEU HA 1 1 1 11 1 1 1 LEU HB2 H 4.677 3.390 -5.545 1.00 . A A . 1 LEU HB2 1 1 1 12 1 1 1 LEU HB3 H 3.854 4.654 -6.436 1.00 . A A . 1 LEU HB3 1 1 1 13 1 1 1 LEU HD11 H 5.119 4.902 -3.730 1.00 . A A . 1 LEU HD11 1 1 1 14 1 1 1 LEU HD12 H 3.807 5.684 -2.850 1.00 . A A . 1 LEU HD12 1 1 1 15 1 1 1 LEU HD13 H 4.245 6.246 -4.464 1.00 . A A . 1 LEU HD13 1 1 1 16 1 1 1 LEU HD21 H 1.857 5.663 -5.566 1.00 . A A . 1 LEU HD21 1 1 1 17 1 1 1 LEU HD22 H 1.599 5.723 -3.822 1.00 . A A . 1 LEU HD22 1 1 1 18 1 1 1 LEU HD23 H 1.048 4.326 -4.747 1.00 . A A . 1 LEU HD23 1 1 1 19 1 1 1 LEU HG H 3.024 3.589 -3.734 1.00 . A A . 1 LEU HG 1 1 1 20 1 1 1 LEU N N 3.665 2.102 -7.460 1.00 . A A . 1 LEU N 1 1 1 21 1 1 1 LEU O O 1.749 4.373 -7.864 1.00 . A A . 1 LEU O 1 1 1 22 1 1 2 PHE C C -1.453 4.458 -6.583 1.00 . A A . 2 PHE C 1 1 1 23 1 1 2 PHE CA C -0.799 3.370 -7.429 1.00 . A A . 2 PHE CA 1 1 1 24 1 1 2 PHE CB C -1.784 2.220 -7.659 1.00 . A A . 2 PHE CB 1 1 1 25 1 1 2 PHE CD1 C -3.008 3.377 -9.522 1.00 . A A . 2 PHE CD1 1 1 1 26 1 1 2 PHE CD2 C -4.290 2.300 -7.822 1.00 . A A . 2 PHE CD2 1 1 1 27 1 1 2 PHE CE1 C -4.172 3.765 -10.158 1.00 . A A . 2 PHE CE1 1 1 1 28 1 1 2 PHE CE2 C -5.455 2.686 -8.455 1.00 . A A . 2 PHE CE2 1 1 1 29 1 1 2 PHE CG C -3.053 2.642 -8.347 1.00 . A A . 2 PHE CG 1 1 1 30 1 1 2 PHE CZ C -5.396 3.419 -9.623 1.00 . A A . 2 PHE CZ 1 1 1 31 1 1 2 PHE H H 0.392 2.091 -6.234 1.00 . A A . 2 PHE H 1 1 1 32 1 1 2 PHE HA H -0.549 3.795 -8.379 1.00 . A A . 2 PHE HA 1 1 1 33 1 1 2 PHE HB2 H -1.309 1.470 -8.272 1.00 . A A . 2 PHE HB2 1 1 1 34 1 1 2 PHE HB3 H -2.049 1.783 -6.708 1.00 . A A . 2 PHE HB3 1 1 1 35 1 1 2 PHE HD1 H -2.051 3.648 -9.942 1.00 . A A . 2 PHE HD1 1 1 1 36 1 1 2 PHE HD2 H -4.338 1.728 -6.908 1.00 . A A . 2 PHE HD2 1 1 1 37 1 1 2 PHE HE1 H -4.123 4.338 -11.072 1.00 . A A . 2 PHE HE1 1 1 1 38 1 1 2 PHE HE2 H -6.412 2.413 -8.037 1.00 . A A . 2 PHE HE2 1 1 1 39 1 1 2 PHE HZ H -6.308 3.721 -10.119 1.00 . A A . 2 PHE HZ 1 1 1 40 1 1 2 PHE N N 0.434 2.868 -6.831 1.00 . A A . 2 PHE N 1 1 1 41 1 1 2 PHE O O -1.266 5.649 -6.831 1.00 . A A . 2 PHE O 1 1 1 42 1 1 3 CYS C C -1.967 5.878 -3.989 1.00 . A A . 3 CYS C 1 1 1 43 1 1 3 CYS CA C -2.942 4.964 -4.721 1.00 . A A . 3 CYS CA 1 1 1 44 1 1 3 CYS CB C -3.804 4.182 -3.723 1.00 . A A . 3 CYS CB 1 1 1 45 1 1 3 CYS H H -2.342 3.077 -5.473 1.00 . A A . 3 CYS H 1 1 1 46 1 1 3 CYS HA H -3.587 5.572 -5.336 1.00 . A A . 3 CYS HA 1 1 1 47 1 1 3 CYS HB2 H -4.187 4.862 -2.979 1.00 . A A . 3 CYS HB2 1 1 1 48 1 1 3 CYS HB3 H -4.632 3.734 -4.253 1.00 . A A . 3 CYS HB3 1 1 1 49 1 1 3 CYS N N -2.232 4.038 -5.603 1.00 . A A . 3 CYS N 1 1 1 50 1 1 3 CYS O O -0.780 5.909 -4.307 1.00 . A A . 3 CYS O 1 1 1 51 1 1 3 CYS SG S -2.922 2.848 -2.846 1.00 . A A . 3 CYS SG 1 1 1 52 1 1 4 LYS C C -0.750 6.760 -1.266 1.00 . A A . 4 LYS C 1 1 1 53 1 1 4 LYS CA C -1.633 7.538 -2.235 1.00 . A A . 4 LYS CA 1 1 1 54 1 1 4 LYS CB C -2.496 8.545 -1.470 1.00 . A A . 4 LYS CB 1 1 1 55 1 1 4 LYS CD C -4.067 10.516 -1.562 1.00 . A A . 4 LYS CD 1 1 1 56 1 1 4 LYS CE C -5.044 9.902 -0.565 1.00 . A A . 4 LYS CE 1 1 1 57 1 1 4 LYS CG C -3.319 9.460 -2.366 1.00 . A A . 4 LYS CG 1 1 1 58 1 1 4 LYS H H -3.424 6.559 -2.802 1.00 . A A . 4 LYS H 1 1 1 59 1 1 4 LYS HA H -0.999 8.074 -2.927 1.00 . A A . 4 LYS HA 1 1 1 60 1 1 4 LYS HB2 H -3.172 8.004 -0.827 1.00 . A A . 4 LYS HB2 1 1 1 61 1 1 4 LYS HB3 H -1.850 9.161 -0.863 1.00 . A A . 4 LYS HB3 1 1 1 62 1 1 4 LYS HD2 H -3.350 11.115 -1.020 1.00 . A A . 4 LYS HD2 1 1 1 63 1 1 4 LYS HD3 H -4.615 11.147 -2.245 1.00 . A A . 4 LYS HD3 1 1 1 64 1 1 4 LYS HE2 H -4.511 9.204 0.059 1.00 . A A . 4 LYS HE2 1 1 1 65 1 1 4 LYS HE3 H -5.451 10.690 0.049 1.00 . A A . 4 LYS HE3 1 1 1 66 1 1 4 LYS HG2 H -2.656 9.956 -3.060 1.00 . A A . 4 LYS HG2 1 1 1 67 1 1 4 LYS HG3 H -4.031 8.865 -2.913 1.00 . A A . 4 LYS HG3 1 1 1 68 1 1 4 LYS HZ1 H -5.879 8.219 -1.477 1.00 . A A . 4 LYS HZ1 1 1 1 69 1 1 4 LYS HZ2 H -6.436 9.682 -2.109 1.00 . A A . 4 LYS HZ2 1 1 1 70 1 1 4 LYS HZ3 H -6.989 9.146 -0.608 1.00 . A A . 4 LYS HZ3 1 1 1 71 1 1 4 LYS N N -2.468 6.625 -3.011 1.00 . A A . 4 LYS N 1 1 1 72 1 1 4 LYS NZ N -6.162 9.188 -1.238 1.00 . A A . 4 LYS NZ 1 1 1 73 1 1 4 LYS O O -0.732 7.033 -0.065 1.00 . A A . 4 LYS O 1 1 1 74 1 1 5 GLY C C 1.347 3.768 -1.760 1.00 . A A . 5 GLY C 1 1 1 75 1 1 5 GLY CA C 0.844 4.970 -0.989 1.00 . A A . 5 GLY CA 1 1 1 76 1 1 5 GLY H H -0.090 5.619 -2.757 1.00 . A A . 5 GLY H 1 1 1 77 1 1 5 GLY HA2 H 1.688 5.564 -0.670 1.00 . A A . 5 GLY HA2 1 1 1 78 1 1 5 GLY HA3 H 0.304 4.627 -0.120 1.00 . A A . 5 GLY HA3 1 1 1 79 1 1 5 GLY N N -0.030 5.786 -1.797 1.00 . A A . 5 GLY N 1 1 1 80 1 1 5 GLY O O 2.515 3.403 -1.665 1.00 . A A . 5 GLY O 1 1 1 81 1 1 6 GLY C C -0.407 1.279 -3.833 1.00 . A A . 6 GLY C 1 1 1 82 1 1 6 GLY CA C 0.818 1.992 -3.312 1.00 . A A . 6 GLY CA 1 1 1 83 1 1 6 GLY H H -0.464 3.494 -2.561 1.00 . A A . 6 GLY H 1 1 1 84 1 1 6 GLY HA2 H 1.425 2.305 -4.146 1.00 . A A . 6 GLY HA2 1 1 1 85 1 1 6 GLY HA3 H 1.386 1.312 -2.696 1.00 . A A . 6 GLY HA3 1 1 1 86 1 1 6 GLY N N 0.456 3.154 -2.526 1.00 . A A . 6 GLY N 1 1 1 87 1 1 6 GLY O O -1.219 1.874 -4.541 1.00 . A A . 6 GLY O 1 1 1 88 1 1 7 SER C C -2.635 -0.902 -2.675 1.00 . A A . 7 SER C 1 1 1 89 1 1 7 SER CA C -1.696 -0.774 -3.867 1.00 . A A . 7 SER CA 1 1 1 90 1 1 7 SER CB C -1.246 -2.156 -4.352 1.00 . A A . 7 SER CB 1 1 1 91 1 1 7 SER H H 0.129 -0.389 -2.886 1.00 . A A . 7 SER H 1 1 1 92 1 1 7 SER HA H -2.204 -0.259 -4.669 1.00 . A A . 7 SER HA 1 1 1 93 1 1 7 SER HB2 H -0.563 -2.040 -5.180 1.00 . A A . 7 SER HB2 1 1 1 94 1 1 7 SER HB3 H -0.745 -2.670 -3.545 1.00 . A A . 7 SER HB3 1 1 1 95 1 1 7 SER HG H -2.890 -3.174 -4.012 1.00 . A A . 7 SER HG 1 1 1 96 1 1 7 SER N N -0.550 0.019 -3.466 1.00 . A A . 7 SER N 1 1 1 97 1 1 7 SER O O -2.236 -1.394 -1.620 1.00 . A A . 7 SER O 1 1 1 98 1 1 7 SER OG O -2.348 -2.944 -4.779 1.00 . A A . 7 SER OG 1 1 1 99 1 1 8 CYS C C -4.953 -1.931 -1.227 1.00 . A A . 8 CYS C 1 1 1 100 1 1 8 CYS CA C -4.827 -0.503 -1.738 1.00 . A A . 8 CYS CA 1 1 1 101 1 1 8 CYS CB C -6.195 0.001 -2.191 1.00 . A A . 8 CYS CB 1 1 1 102 1 1 8 CYS H H -4.132 -0.040 -3.681 1.00 . A A . 8 CYS H 1 1 1 103 1 1 8 CYS HA H -4.470 0.122 -0.935 1.00 . A A . 8 CYS HA 1 1 1 104 1 1 8 CYS HB2 H -6.776 -0.825 -2.564 1.00 . A A . 8 CYS HB2 1 1 1 105 1 1 8 CYS HB3 H -6.696 0.431 -1.338 1.00 . A A . 8 CYS HB3 1 1 1 106 1 1 8 CYS N N -3.866 -0.442 -2.827 1.00 . A A . 8 CYS N 1 1 1 107 1 1 8 CYS O O -5.070 -2.870 -2.013 1.00 . A A . 8 CYS O 1 1 1 108 1 1 8 CYS SG S -6.146 1.278 -3.488 1.00 . A A . 8 CYS SG 1 1 1 109 1 1 9 HIS C C -6.396 -4.017 0.416 1.00 . A A . 9 HIS C 1 1 1 110 1 1 9 HIS CA C -5.032 -3.404 0.700 1.00 . A A . 9 HIS CA 1 1 1 111 1 1 9 HIS CB C -4.787 -3.336 2.214 1.00 . A A . 9 HIS CB 1 1 1 112 1 1 9 HIS CD2 C -2.300 -3.977 1.866 1.00 . A A . 9 HIS CD2 1 1 1 113 1 1 9 HIS CE1 C -1.682 -4.026 3.961 1.00 . A A . 9 HIS CE1 1 1 1 114 1 1 9 HIS CG C -3.380 -3.659 2.613 1.00 . A A . 9 HIS CG 1 1 1 115 1 1 9 HIS H H -4.816 -1.301 0.661 1.00 . A A . 9 HIS H 1 1 1 116 1 1 9 HIS HA H -4.278 -4.033 0.256 1.00 . A A . 9 HIS HA 1 1 1 117 1 1 9 HIS HB2 H -5.006 -2.341 2.560 1.00 . A A . 9 HIS HB2 1 1 1 118 1 1 9 HIS HB3 H -5.441 -4.037 2.711 1.00 . A A . 9 HIS HB3 1 1 1 119 1 1 9 HIS HD1 H -3.513 -3.513 4.712 1.00 . A A . 9 HIS HD1 1 1 1 120 1 1 9 HIS HD2 H -2.262 -4.032 0.790 1.00 . A A . 9 HIS HD2 1 1 1 121 1 1 9 HIS HE1 H -1.087 -4.134 4.855 1.00 . A A . 9 HIS HE1 1 1 1 122 1 1 9 HIS HE2 H -0.463 -4.737 2.498 1.00 . A A . 9 HIS HE2 1 1 1 123 1 1 9 HIS N N -4.921 -2.090 0.087 1.00 . A A . 9 HIS N 1 1 1 124 1 1 9 HIS ND1 N -2.958 -3.697 3.921 1.00 . A A . 9 HIS ND1 1 1 1 125 1 1 9 HIS NE2 N -1.255 -4.205 2.727 1.00 . A A . 9 HIS NE2 1 1 1 126 1 1 9 HIS O O -7.261 -4.065 1.285 1.00 . A A . 9 HIS O 1 1 1 127 1 1 10 PHE C C -7.897 -6.518 -0.609 1.00 . A A . 10 PHE C 1 1 1 128 1 1 10 PHE CA C -7.835 -5.115 -1.199 1.00 . A A . 10 PHE CA 1 1 1 129 1 1 10 PHE CB C -7.963 -5.179 -2.725 1.00 . A A . 10 PHE CB 1 1 1 130 1 1 10 PHE CD1 C -9.006 -2.975 -3.328 1.00 . A A . 10 PHE CD1 1 1 1 131 1 1 10 PHE CD2 C -6.806 -3.441 -4.122 1.00 . A A . 10 PHE CD2 1 1 1 132 1 1 10 PHE CE1 C -8.977 -1.747 -3.960 1.00 . A A . 10 PHE CE1 1 1 1 133 1 1 10 PHE CE2 C -6.770 -2.213 -4.755 1.00 . A A . 10 PHE CE2 1 1 1 134 1 1 10 PHE CG C -7.921 -3.836 -3.400 1.00 . A A . 10 PHE CG 1 1 1 135 1 1 10 PHE CZ C -7.858 -1.365 -4.674 1.00 . A A . 10 PHE CZ 1 1 1 136 1 1 10 PHE H H -5.852 -4.425 -1.460 1.00 . A A . 10 PHE H 1 1 1 137 1 1 10 PHE HA H -8.646 -4.528 -0.796 1.00 . A A . 10 PHE HA 1 1 1 138 1 1 10 PHE HB2 H -7.152 -5.771 -3.119 1.00 . A A . 10 PHE HB2 1 1 1 139 1 1 10 PHE HB3 H -8.900 -5.651 -2.979 1.00 . A A . 10 PHE HB3 1 1 1 140 1 1 10 PHE HD1 H -9.880 -3.270 -2.767 1.00 . A A . 10 PHE HD1 1 1 1 141 1 1 10 PHE HD2 H -5.955 -4.103 -4.186 1.00 . A A . 10 PHE HD2 1 1 1 142 1 1 10 PHE HE1 H -9.828 -1.086 -3.895 1.00 . A A . 10 PHE HE1 1 1 1 143 1 1 10 PHE HE2 H -5.894 -1.917 -5.312 1.00 . A A . 10 PHE HE2 1 1 1 144 1 1 10 PHE HZ H -7.833 -0.405 -5.167 1.00 . A A . 10 PHE HZ 1 1 1 145 1 1 10 PHE N N -6.582 -4.489 -0.806 1.00 . A A . 10 PHE N 1 1 1 146 1 1 10 PHE O O -7.943 -7.513 -1.338 1.00 . A A . 10 PHE O 1 1 1 147 1 1 11 GLY C C -6.620 -8.665 1.087 1.00 . A A . 11 GLY C 1 1 1 148 1 1 11 GLY CA C -7.878 -7.878 1.384 1.00 . A A . 11 GLY CA 1 1 1 149 1 1 11 GLY H H -7.798 -5.769 1.247 1.00 . A A . 11 GLY H 1 1 1 150 1 1 11 GLY HA2 H -7.956 -7.722 2.450 1.00 . A A . 11 GLY HA2 1 1 1 151 1 1 11 GLY HA3 H -8.733 -8.444 1.045 1.00 . A A . 11 GLY HA3 1 1 1 152 1 1 11 GLY N N -7.859 -6.595 0.715 1.00 . A A . 11 GLY N 1 1 1 153 1 1 11 GLY O O -6.585 -9.891 1.230 1.00 . A A . 11 GLY O 1 1 1 154 1 1 12 GLY C C -3.372 -7.587 -0.329 1.00 . A A . 12 GLY C 1 1 1 155 1 1 12 GLY CA C -4.311 -8.561 0.356 1.00 . A A . 12 GLY CA 1 1 1 156 1 1 12 GLY H H -5.681 -6.975 0.586 1.00 . A A . 12 GLY H 1 1 1 157 1 1 12 GLY HA2 H -3.850 -8.911 1.268 1.00 . A A . 12 GLY HA2 1 1 1 158 1 1 12 GLY HA3 H -4.481 -9.401 -0.298 1.00 . A A . 12 GLY HA3 1 1 1 159 1 1 12 GLY N N -5.583 -7.946 0.674 1.00 . A A . 12 GLY N 1 1 1 160 1 1 12 GLY O O -3.511 -6.372 -0.167 1.00 . A A . 12 GLY O 1 1 1 161 1 1 13 CYS C C -0.416 -8.179 -2.507 1.00 . A A . 13 CYS C 1 1 1 162 1 1 13 CYS CA C -1.464 -7.300 -1.826 1.00 . A A . 13 CYS CA 1 1 1 163 1 1 13 CYS CB C -0.785 -6.296 -0.886 1.00 . A A . 13 CYS CB 1 1 1 164 1 1 13 CYS H H -2.385 -9.093 -1.195 1.00 . A A . 13 CYS H 1 1 1 165 1 1 13 CYS HA H -2.003 -6.756 -2.588 1.00 . A A . 13 CYS HA 1 1 1 166 1 1 13 CYS HB2 H -0.996 -6.570 0.137 1.00 . A A . 13 CYS HB2 1 1 1 167 1 1 13 CYS HB3 H 0.282 -6.323 -1.047 1.00 . A A . 13 CYS HB3 1 1 1 168 1 1 13 CYS N N -2.430 -8.118 -1.103 1.00 . A A . 13 CYS N 1 1 1 169 1 1 13 CYS O O -0.296 -9.367 -2.196 1.00 . A A . 13 CYS O 1 1 1 170 1 1 13 CYS SG S -1.341 -4.576 -1.125 1.00 . A A . 13 CYS SG 1 1 1 171 1 1 14 PRO C C 2.220 -9.220 -3.264 1.00 . A A . 14 PRO C 1 1 1 172 1 1 14 PRO CA C 1.388 -8.337 -4.186 1.00 . A A . 14 PRO CA 1 1 1 173 1 1 14 PRO CB C 2.249 -7.220 -4.775 1.00 . A A . 14 PRO CB 1 1 1 174 1 1 14 PRO CD C 0.261 -6.198 -3.884 1.00 . A A . 14 PRO CD 1 1 1 175 1 1 14 PRO CG C 1.316 -6.071 -4.955 1.00 . A A . 14 PRO CG 1 1 1 176 1 1 14 PRO HA H 0.970 -8.936 -4.981 1.00 . A A . 14 PRO HA 1 1 1 177 1 1 14 PRO HB2 H 3.048 -6.976 -4.087 1.00 . A A . 14 PRO HB2 1 1 1 178 1 1 14 PRO HB3 H 2.665 -7.541 -5.718 1.00 . A A . 14 PRO HB3 1 1 1 179 1 1 14 PRO HD2 H 0.478 -5.532 -3.064 1.00 . A A . 14 PRO HD2 1 1 1 180 1 1 14 PRO HD3 H -0.716 -5.985 -4.293 1.00 . A A . 14 PRO HD3 1 1 1 181 1 1 14 PRO HG2 H 1.854 -5.142 -4.839 1.00 . A A . 14 PRO HG2 1 1 1 182 1 1 14 PRO HG3 H 0.864 -6.120 -5.934 1.00 . A A . 14 PRO HG3 1 1 1 183 1 1 14 PRO N N 0.352 -7.607 -3.453 1.00 . A A . 14 PRO N 1 1 1 184 1 1 14 PRO O O 2.527 -10.371 -3.587 1.00 . A A . 14 PRO O 1 1 1 185 1 1 15 SER C C 3.304 -8.655 0.207 1.00 . A A . 15 SER C 1 1 1 186 1 1 15 SER CA C 3.351 -9.397 -1.123 1.00 . A A . 15 SER CA 1 1 1 187 1 1 15 SER CB C 4.794 -9.549 -1.615 1.00 . A A . 15 SER CB 1 1 1 188 1 1 15 SER H H 2.282 -7.762 -1.911 1.00 . A A . 15 SER H 1 1 1 189 1 1 15 SER HA H 2.913 -10.375 -0.996 1.00 . A A . 15 SER HA 1 1 1 190 1 1 15 SER HB2 H 5.403 -9.948 -0.821 1.00 . A A . 15 SER HB2 1 1 1 191 1 1 15 SER HB3 H 4.815 -10.224 -2.456 1.00 . A A . 15 SER HB3 1 1 1 192 1 1 15 SER HG H 5.326 -8.250 -2.985 1.00 . A A . 15 SER HG 1 1 1 193 1 1 15 SER N N 2.567 -8.677 -2.111 1.00 . A A . 15 SER N 1 1 1 194 1 1 15 SER O O 2.379 -7.874 0.448 1.00 . A A . 15 SER O 1 1 1 195 1 1 15 SER OG O 5.328 -8.297 -2.019 1.00 . A A . 15 SER OG 1 1 1 196 1 1 16 HIS C C 4.843 -6.799 2.223 1.00 . A A . 16 HIS C 1 1 1 197 1 1 16 HIS CA C 4.339 -8.230 2.361 1.00 . A A . 16 HIS CA 1 1 1 198 1 1 16 HIS CB C 5.229 -9.013 3.325 1.00 . A A . 16 HIS CB 1 1 1 199 1 1 16 HIS CD2 C 6.274 -7.893 5.414 1.00 . A A . 16 HIS CD2 1 1 1 200 1 1 16 HIS CE1 C 4.478 -7.811 6.665 1.00 . A A . 16 HIS CE1 1 1 1 201 1 1 16 HIS CG C 5.258 -8.435 4.705 1.00 . A A . 16 HIS CG 1 1 1 202 1 1 16 HIS H H 5.000 -9.517 0.817 1.00 . A A . 16 HIS H 1 1 1 203 1 1 16 HIS HA H 3.336 -8.206 2.754 1.00 . A A . 16 HIS HA 1 1 1 204 1 1 16 HIS HB2 H 4.866 -10.026 3.398 1.00 . A A . 16 HIS HB2 1 1 1 205 1 1 16 HIS HB3 H 6.240 -9.022 2.945 1.00 . A A . 16 HIS HB3 1 1 1 206 1 1 16 HIS HD1 H 3.243 -8.684 5.286 1.00 . A A . 16 HIS HD1 1 1 1 207 1 1 16 HIS HD2 H 7.296 -7.781 5.083 1.00 . A A . 16 HIS HD2 1 1 1 208 1 1 16 HIS HE1 H 3.811 -7.631 7.495 1.00 . A A . 16 HIS HE1 1 1 1 209 1 1 16 HIS HE2 H 6.236 -6.974 7.299 1.00 . A A . 16 HIS HE2 1 1 1 210 1 1 16 HIS N N 4.288 -8.887 1.063 1.00 . A A . 16 HIS N 1 1 1 211 1 1 16 HIS ND1 N 4.147 -8.368 5.517 1.00 . A A . 16 HIS ND1 1 1 1 212 1 1 16 HIS NE2 N 5.763 -7.513 6.630 1.00 . A A . 16 HIS NE2 1 1 1 213 1 1 16 HIS O O 5.763 -6.382 2.925 1.00 . A A . 16 HIS O 1 1 1 214 1 1 17 LEU C C 4.262 -3.814 2.291 1.00 . A A . 17 LEU C 1 1 1 215 1 1 17 LEU CA C 4.617 -4.668 1.077 1.00 . A A . 17 LEU CA 1 1 1 216 1 1 17 LEU CB C 3.908 -4.135 -0.169 1.00 . A A . 17 LEU CB 1 1 1 217 1 1 17 LEU CD1 C 3.377 -4.309 -2.610 1.00 . A A . 17 LEU CD1 1 1 1 218 1 1 17 LEU CD2 C 5.575 -5.149 -1.748 1.00 . A A . 17 LEU CD2 1 1 1 219 1 1 17 LEU CG C 4.096 -4.964 -1.440 1.00 . A A . 17 LEU CG 1 1 1 220 1 1 17 LEU H H 3.509 -6.445 0.787 1.00 . A A . 17 LEU H 1 1 1 221 1 1 17 LEU HA H 5.684 -4.634 0.921 1.00 . A A . 17 LEU HA 1 1 1 222 1 1 17 LEU HB2 H 2.854 -4.088 0.041 1.00 . A A . 17 LEU HB2 1 1 1 223 1 1 17 LEU HB3 H 4.262 -3.138 -0.362 1.00 . A A . 17 LEU HB3 1 1 1 224 1 1 17 LEU HD11 H 3.679 -4.784 -3.531 1.00 . A A . 17 LEU HD11 1 1 1 225 1 1 17 LEU HD12 H 3.629 -3.260 -2.647 1.00 . A A . 17 LEU HD12 1 1 1 226 1 1 17 LEU HD13 H 2.309 -4.418 -2.481 1.00 . A A . 17 LEU HD13 1 1 1 227 1 1 17 LEU HD21 H 6.025 -4.187 -1.940 1.00 . A A . 17 LEU HD21 1 1 1 228 1 1 17 LEU HD22 H 5.685 -5.777 -2.619 1.00 . A A . 17 LEU HD22 1 1 1 229 1 1 17 LEU HD23 H 6.064 -5.614 -0.905 1.00 . A A . 17 LEU HD23 1 1 1 230 1 1 17 LEU HG H 3.659 -5.940 -1.288 1.00 . A A . 17 LEU HG 1 1 1 231 1 1 17 LEU N N 4.238 -6.055 1.312 1.00 . A A . 17 LEU N 1 1 1 232 1 1 17 LEU O O 3.225 -4.026 2.919 1.00 . A A . 17 LEU O 1 1 1 233 1 1 18 ILE C C 3.744 -1.004 3.473 1.00 . A A . 18 ILE C 1 1 1 234 1 1 18 ILE CA C 4.866 -1.992 3.764 1.00 . A A . 18 ILE CA 1 1 1 235 1 1 18 ILE CB C 6.128 -1.208 4.195 1.00 . A A . 18 ILE CB 1 1 1 236 1 1 18 ILE CD1 C 7.718 0.657 3.488 1.00 . A A . 18 ILE CD1 1 1 1 237 1 1 18 ILE CG1 C 6.642 -0.318 3.056 1.00 . A A . 18 ILE CG1 1 1 1 238 1 1 18 ILE CG2 C 7.215 -2.170 4.656 1.00 . A A . 18 ILE CG2 1 1 1 239 1 1 18 ILE H H 5.925 -2.725 2.084 1.00 . A A . 18 ILE H 1 1 1 240 1 1 18 ILE HA H 4.565 -2.620 4.589 1.00 . A A . 18 ILE HA 1 1 1 241 1 1 18 ILE HB H 5.862 -0.583 5.035 1.00 . A A . 18 ILE HB 1 1 1 242 1 1 18 ILE HD11 H 7.288 1.396 4.148 1.00 . A A . 18 ILE HD11 1 1 1 243 1 1 18 ILE HD12 H 8.128 1.149 2.618 1.00 . A A . 18 ILE HD12 1 1 1 244 1 1 18 ILE HD13 H 8.502 0.124 4.004 1.00 . A A . 18 ILE HD13 1 1 1 245 1 1 18 ILE HG12 H 7.057 -0.943 2.280 1.00 . A A . 18 ILE HG12 1 1 1 246 1 1 18 ILE HG13 H 5.821 0.253 2.651 1.00 . A A . 18 ILE HG13 1 1 1 247 1 1 18 ILE HG21 H 7.124 -2.330 5.719 1.00 . A A . 18 ILE HG21 1 1 1 248 1 1 18 ILE HG22 H 8.186 -1.752 4.438 1.00 . A A . 18 ILE HG22 1 1 1 249 1 1 18 ILE HG23 H 7.106 -3.113 4.141 1.00 . A A . 18 ILE HG23 1 1 1 250 1 1 18 ILE N N 5.115 -2.857 2.620 1.00 . A A . 18 ILE N 1 1 1 251 1 1 18 ILE O O 3.679 -0.415 2.391 1.00 . A A . 18 ILE O 1 1 1 252 1 1 19 LYS C C 2.291 1.540 4.327 1.00 . A A . 19 LYS C 1 1 1 253 1 1 19 LYS CA C 1.761 0.111 4.306 1.00 . A A . 19 LYS CA 1 1 1 254 1 1 19 LYS CB C 0.739 -0.089 5.431 1.00 . A A . 19 LYS CB 1 1 1 255 1 1 19 LYS CD C -1.239 0.828 6.697 1.00 . A A . 19 LYS CD 1 1 1 256 1 1 19 LYS CE C -2.206 1.996 6.836 1.00 . A A . 19 LYS CE 1 1 1 257 1 1 19 LYS CG C -0.303 1.019 5.513 1.00 . A A . 19 LYS CG 1 1 1 258 1 1 19 LYS H H 2.975 -1.311 5.287 1.00 . A A . 19 LYS H 1 1 1 259 1 1 19 LYS HA H 1.286 -0.077 3.356 1.00 . A A . 19 LYS HA 1 1 1 260 1 1 19 LYS HB2 H 0.223 -1.026 5.270 1.00 . A A . 19 LYS HB2 1 1 1 261 1 1 19 LYS HB3 H 1.262 -0.134 6.376 1.00 . A A . 19 LYS HB3 1 1 1 262 1 1 19 LYS HD2 H -1.805 -0.080 6.557 1.00 . A A . 19 LYS HD2 1 1 1 263 1 1 19 LYS HD3 H -0.651 0.750 7.601 1.00 . A A . 19 LYS HD3 1 1 1 264 1 1 19 LYS HE2 H -2.752 2.106 5.912 1.00 . A A . 19 LYS HE2 1 1 1 265 1 1 19 LYS HE3 H -2.897 1.783 7.636 1.00 . A A . 19 LYS HE3 1 1 1 266 1 1 19 LYS HG2 H 0.203 1.966 5.618 1.00 . A A . 19 LYS HG2 1 1 1 267 1 1 19 LYS HG3 H -0.883 1.018 4.602 1.00 . A A . 19 LYS HG3 1 1 1 268 1 1 19 LYS HZ1 H -0.516 3.077 7.413 1.00 . A A . 19 LYS HZ1 1 1 1 269 1 1 19 LYS HZ2 H -1.973 3.772 7.906 1.00 . A A . 19 LYS HZ2 1 1 1 270 1 1 19 LYS HZ3 H -1.490 3.880 6.293 1.00 . A A . 19 LYS HZ3 1 1 1 271 1 1 19 LYS N N 2.867 -0.819 4.446 1.00 . A A . 19 LYS N 1 1 1 272 1 1 19 LYS NZ N -1.498 3.269 7.133 1.00 . A A . 19 LYS NZ 1 1 1 273 1 1 19 LYS O O 3.133 1.881 5.162 1.00 . A A . 19 LYS O 1 1 1 274 1 1 20 VAL C C 1.074 4.634 2.861 1.00 . A A . 20 VAL C 1 1 1 275 1 1 20 VAL CA C 2.229 3.756 3.329 1.00 . A A . 20 VAL CA 1 1 1 276 1 1 20 VAL CB C 3.423 3.924 2.362 1.00 . A A . 20 VAL CB 1 1 1 277 1 1 20 VAL CG1 C 4.624 3.117 2.836 1.00 . A A . 20 VAL CG1 1 1 1 278 1 1 20 VAL CG2 C 3.029 3.520 0.950 1.00 . A A . 20 VAL CG2 1 1 1 279 1 1 20 VAL H H 1.136 2.029 2.775 1.00 . A A . 20 VAL H 1 1 1 280 1 1 20 VAL HA H 2.536 4.077 4.312 1.00 . A A . 20 VAL HA 1 1 1 281 1 1 20 VAL HB H 3.703 4.967 2.350 1.00 . A A . 20 VAL HB 1 1 1 282 1 1 20 VAL HG11 H 4.382 2.065 2.815 1.00 . A A . 20 VAL HG11 1 1 1 283 1 1 20 VAL HG12 H 4.879 3.407 3.844 1.00 . A A . 20 VAL HG12 1 1 1 284 1 1 20 VAL HG13 H 5.464 3.305 2.183 1.00 . A A . 20 VAL HG13 1 1 1 285 1 1 20 VAL HG21 H 3.416 2.537 0.734 1.00 . A A . 20 VAL HG21 1 1 1 286 1 1 20 VAL HG22 H 3.438 4.231 0.246 1.00 . A A . 20 VAL HG22 1 1 1 287 1 1 20 VAL HG23 H 1.953 3.508 0.863 1.00 . A A . 20 VAL HG23 1 1 1 288 1 1 20 VAL N N 1.801 2.365 3.413 1.00 . A A . 20 VAL N 1 1 1 289 1 1 20 VAL O O 1.267 5.622 2.152 1.00 . A A . 20 VAL O 1 1 1 290 1 1 21 GLY C C -2.547 4.127 2.946 1.00 . A A . 21 GLY C 1 1 1 291 1 1 21 GLY CA C -1.316 5.004 2.906 1.00 . A A . 21 GLY CA 1 1 1 292 1 1 21 GLY H H -0.212 3.467 3.839 1.00 . A A . 21 GLY H 1 1 1 293 1 1 21 GLY HA2 H -1.443 5.827 3.594 1.00 . A A . 21 GLY HA2 1 1 1 294 1 1 21 GLY HA3 H -1.197 5.394 1.906 1.00 . A A . 21 GLY HA3 1 1 1 295 1 1 21 GLY N N -0.128 4.261 3.271 1.00 . A A . 21 GLY N 1 1 1 296 1 1 21 GLY O O -2.532 3.065 3.576 1.00 . A A . 21 GLY O 1 1 1 297 1 1 22 SER C C -5.827 4.431 1.269 1.00 . A A . 22 SER C 1 1 1 298 1 1 22 SER CA C -4.837 3.783 2.215 1.00 . A A . 22 SER CA 1 1 1 299 1 1 22 SER CB C -5.456 3.652 3.608 1.00 . A A . 22 SER CB 1 1 1 300 1 1 22 SER H H -3.546 5.395 1.770 1.00 . A A . 22 SER H 1 1 1 301 1 1 22 SER HA H -4.604 2.799 1.844 1.00 . A A . 22 SER HA 1 1 1 302 1 1 22 SER HB2 H -4.726 3.247 4.279 1.00 . A A . 22 SER HB2 1 1 1 303 1 1 22 SER HB3 H -5.767 4.625 3.954 1.00 . A A . 22 SER HB3 1 1 1 304 1 1 22 SER HG H -6.910 2.688 4.501 1.00 . A A . 22 SER HG 1 1 1 305 1 1 22 SER N N -3.601 4.547 2.265 1.00 . A A . 22 SER N 1 1 1 306 1 1 22 SER O O -5.900 5.658 1.162 1.00 . A A . 22 SER O 1 1 1 307 1 1 22 SER OG O -6.583 2.790 3.599 1.00 . A A . 22 SER OG 1 1 1 308 1 1 23 CYS C C -8.942 4.135 0.363 1.00 . A A . 23 CYS C 1 1 1 309 1 1 23 CYS CA C -7.595 4.050 -0.344 1.00 . A A . 23 CYS CA 1 1 1 310 1 1 23 CYS CB C -7.643 3.111 -1.554 1.00 . A A . 23 CYS CB 1 1 1 311 1 1 23 CYS H H -6.467 2.633 0.752 1.00 . A A . 23 CYS H 1 1 1 312 1 1 23 CYS HA H -7.316 5.040 -0.677 1.00 . A A . 23 CYS HA 1 1 1 313 1 1 23 CYS HB2 H -7.911 2.115 -1.226 1.00 . A A . 23 CYS HB2 1 1 1 314 1 1 23 CYS HB3 H -8.384 3.466 -2.252 1.00 . A A . 23 CYS HB3 1 1 1 315 1 1 23 CYS N N -6.584 3.594 0.597 1.00 . A A . 23 CYS N 1 1 1 316 1 1 23 CYS O O -9.002 4.543 1.524 1.00 . A A . 23 CYS O 1 1 1 317 1 1 23 CYS SG S -6.048 3.009 -2.436 1.00 . A A . 23 CYS SG 1 1 1 318 1 1 24 PHE C C -11.364 2.913 1.550 1.00 . A A . 24 PHE C 1 1 1 319 1 1 24 PHE CA C -11.336 3.786 0.302 1.00 . A A . 24 PHE CA 1 1 1 320 1 1 24 PHE CB C -12.407 3.320 -0.689 1.00 . A A . 24 PHE CB 1 1 1 321 1 1 24 PHE CD1 C -14.272 4.462 0.549 1.00 . A A . 24 PHE CD1 1 1 1 322 1 1 24 PHE CD2 C -14.639 2.250 -0.260 1.00 . A A . 24 PHE CD2 1 1 1 323 1 1 24 PHE CE1 C -15.551 4.487 1.071 1.00 . A A . 24 PHE CE1 1 1 1 324 1 1 24 PHE CE2 C -15.918 2.270 0.260 1.00 . A A . 24 PHE CE2 1 1 1 325 1 1 24 PHE CG C -13.801 3.345 -0.123 1.00 . A A . 24 PHE CG 1 1 1 326 1 1 24 PHE CZ C -16.375 3.390 0.927 1.00 . A A . 24 PHE CZ 1 1 1 327 1 1 24 PHE H H -9.923 3.420 -1.228 1.00 . A A . 24 PHE H 1 1 1 328 1 1 24 PHE HA H -11.539 4.808 0.586 1.00 . A A . 24 PHE HA 1 1 1 329 1 1 24 PHE HB2 H -12.390 3.963 -1.556 1.00 . A A . 24 PHE HB2 1 1 1 330 1 1 24 PHE HB3 H -12.188 2.306 -0.994 1.00 . A A . 24 PHE HB3 1 1 1 331 1 1 24 PHE HD1 H -13.629 5.322 0.662 1.00 . A A . 24 PHE HD1 1 1 1 332 1 1 24 PHE HD2 H -14.284 1.374 -0.781 1.00 . A A . 24 PHE HD2 1 1 1 333 1 1 24 PHE HE1 H -15.904 5.363 1.593 1.00 . A A . 24 PHE HE1 1 1 1 334 1 1 24 PHE HE2 H -16.561 1.411 0.146 1.00 . A A . 24 PHE HE2 1 1 1 335 1 1 24 PHE HZ H -17.375 3.407 1.334 1.00 . A A . 24 PHE HZ 1 1 1 336 1 1 24 PHE N N -10.017 3.746 -0.309 1.00 . A A . 24 PHE N 1 1 1 337 1 1 24 PHE O O -10.698 1.874 1.606 1.00 . A A . 24 PHE O 1 1 1 338 1 1 25 GLY C C -10.857 2.304 4.389 1.00 . A A . 25 GLY C 1 1 1 339 1 1 25 GLY CA C -12.215 2.583 3.780 1.00 . A A . 25 GLY CA 1 1 1 340 1 1 25 GLY H H -12.619 4.179 2.452 1.00 . A A . 25 GLY H 1 1 1 341 1 1 25 GLY HA2 H -12.810 3.141 4.488 1.00 . A A . 25 GLY HA2 1 1 1 342 1 1 25 GLY HA3 H -12.705 1.645 3.574 1.00 . A A . 25 GLY HA3 1 1 1 343 1 1 25 GLY N N -12.121 3.339 2.549 1.00 . A A . 25 GLY N 1 1 1 344 1 1 25 GLY O O -10.074 3.229 4.626 1.00 . A A . 25 GLY O 1 1 1 345 1 1 26 PHE C C -8.446 -0.132 4.236 1.00 . A A . 26 PHE C 1 1 1 346 1 1 26 PHE CA C -9.303 0.634 5.235 1.00 . A A . 26 PHE CA 1 1 1 347 1 1 26 PHE CB C -9.531 -0.201 6.498 1.00 . A A . 26 PHE CB 1 1 1 348 1 1 26 PHE CD1 C -10.862 1.575 7.681 1.00 . A A . 26 PHE CD1 1 1 1 349 1 1 26 PHE CD2 C -9.117 0.473 8.875 1.00 . A A . 26 PHE CD2 1 1 1 350 1 1 26 PHE CE1 C -11.139 2.345 8.793 1.00 . A A . 26 PHE CE1 1 1 1 351 1 1 26 PHE CE2 C -9.391 1.239 9.989 1.00 . A A . 26 PHE CE2 1 1 1 352 1 1 26 PHE CG C -9.848 0.630 7.709 1.00 . A A . 26 PHE CG 1 1 1 353 1 1 26 PHE CZ C -10.402 2.177 9.948 1.00 . A A . 26 PHE CZ 1 1 1 354 1 1 26 PHE H H -11.241 0.345 4.436 1.00 . A A . 26 PHE H 1 1 1 355 1 1 26 PHE HA H -8.776 1.534 5.511 1.00 . A A . 26 PHE HA 1 1 1 356 1 1 26 PHE HB2 H -10.359 -0.876 6.332 1.00 . A A . 26 PHE HB2 1 1 1 357 1 1 26 PHE HB3 H -8.642 -0.775 6.710 1.00 . A A . 26 PHE HB3 1 1 1 358 1 1 26 PHE HD1 H -11.440 1.706 6.780 1.00 . A A . 26 PHE HD1 1 1 1 359 1 1 26 PHE HD2 H -8.324 -0.260 8.909 1.00 . A A . 26 PHE HD2 1 1 1 360 1 1 26 PHE HE1 H -11.930 3.078 8.760 1.00 . A A . 26 PHE HE1 1 1 1 361 1 1 26 PHE HE2 H -8.814 1.106 10.889 1.00 . A A . 26 PHE HE2 1 1 1 362 1 1 26 PHE HZ H -10.618 2.778 10.818 1.00 . A A . 26 PHE HZ 1 1 1 363 1 1 26 PHE N N -10.574 1.034 4.648 1.00 . A A . 26 PHE N 1 1 1 364 1 1 26 PHE O O -7.707 -1.049 4.602 1.00 . A A . 26 PHE O 1 1 1 365 1 1 27 ARG C C -6.298 0.141 2.007 1.00 . A A . 27 ARG C 1 1 1 366 1 1 27 ARG CA C -7.734 -0.367 1.932 1.00 . A A . 27 ARG CA 1 1 1 367 1 1 27 ARG CB C -8.326 -0.079 0.553 1.00 . A A . 27 ARG CB 1 1 1 368 1 1 27 ARG CD C -9.741 -2.124 0.380 1.00 . A A . 27 ARG CD 1 1 1 369 1 1 27 ARG CG C -9.717 -0.615 0.355 1.00 . A A . 27 ARG CG 1 1 1 370 1 1 27 ARG CZ C -11.450 -3.883 0.127 1.00 . A A . 27 ARG CZ 1 1 1 371 1 1 27 ARG H H -9.119 1.013 2.744 1.00 . A A . 27 ARG H 1 1 1 372 1 1 27 ARG HA H -7.737 -1.433 2.105 1.00 . A A . 27 ARG HA 1 1 1 373 1 1 27 ARG HB2 H -8.362 0.982 0.398 1.00 . A A . 27 ARG HB2 1 1 1 374 1 1 27 ARG HB3 H -7.691 -0.525 -0.194 1.00 . A A . 27 ARG HB3 1 1 1 375 1 1 27 ARG HD2 H -9.023 -2.497 -0.336 1.00 . A A . 27 ARG HD2 1 1 1 376 1 1 27 ARG HD3 H -9.480 -2.466 1.369 1.00 . A A . 27 ARG HD3 1 1 1 377 1 1 27 ARG HE H -11.692 -1.938 -0.318 1.00 . A A . 27 ARG HE 1 1 1 378 1 1 27 ARG HG2 H -10.352 -0.246 1.145 1.00 . A A . 27 ARG HG2 1 1 1 379 1 1 27 ARG HG3 H -10.090 -0.274 -0.599 1.00 . A A . 27 ARG HG3 1 1 1 380 1 1 27 ARG HH11 H -9.738 -4.523 1.004 1.00 . A A . 27 ARG HH11 1 1 1 381 1 1 27 ARG HH12 H -10.933 -5.748 0.731 1.00 . A A . 27 ARG HH12 1 1 1 382 1 1 27 ARG HH21 H -13.291 -3.556 -0.656 1.00 . A A . 27 ARG HH21 1 1 1 383 1 1 27 ARG HH22 H -12.954 -5.197 -0.212 1.00 . A A . 27 ARG HH22 1 1 1 384 1 1 27 ARG N N -8.527 0.263 2.976 1.00 . A A . 27 ARG N 1 1 1 385 1 1 27 ARG NE N -11.062 -2.609 0.032 1.00 . A A . 27 ARG NE 1 1 1 386 1 1 27 ARG NH1 N -10.641 -4.790 0.663 1.00 . A A . 27 ARG NH1 1 1 1 387 1 1 27 ARG NH2 N -12.661 -4.241 -0.278 1.00 . A A . 27 ARG NH2 1 1 1 388 1 1 27 ARG O O -5.790 0.749 1.063 1.00 . A A . 27 ARG O 1 1 1 389 1 1 28 SER C C -3.409 0.119 2.161 1.00 . A A . 28 SER C 1 1 1 390 1 1 28 SER CA C -4.298 0.346 3.382 1.00 . A A . 28 SER CA 1 1 1 391 1 1 28 SER CB C -3.725 -0.394 4.589 1.00 . A A . 28 SER CB 1 1 1 392 1 1 28 SER H H -6.137 -0.576 3.858 1.00 . A A . 28 SER H 1 1 1 393 1 1 28 SER HA H -4.325 1.400 3.602 1.00 . A A . 28 SER HA 1 1 1 394 1 1 28 SER HB2 H -3.672 -1.449 4.368 1.00 . A A . 28 SER HB2 1 1 1 395 1 1 28 SER HB3 H -2.736 -0.021 4.800 1.00 . A A . 28 SER HB3 1 1 1 396 1 1 28 SER HG H -5.208 0.466 5.554 1.00 . A A . 28 SER HG 1 1 1 397 1 1 28 SER N N -5.665 -0.096 3.146 1.00 . A A . 28 SER N 1 1 1 398 1 1 28 SER O O -3.241 -1.010 1.702 1.00 . A A . 28 SER O 1 1 1 399 1 1 28 SER OG O -4.540 -0.209 5.736 1.00 . A A . 28 SER OG 1 1 1 400 1 1 29 CYS C C -0.639 0.482 0.862 1.00 . A A . 29 CYS C 1 1 1 401 1 1 29 CYS CA C -1.964 1.130 0.489 1.00 . A A . 29 CYS CA 1 1 1 402 1 1 29 CYS CB C -1.723 2.528 -0.086 1.00 . A A . 29 CYS CB 1 1 1 403 1 1 29 CYS H H -3.013 2.068 2.059 1.00 . A A . 29 CYS H 1 1 1 404 1 1 29 CYS HA H -2.450 0.524 -0.260 1.00 . A A . 29 CYS HA 1 1 1 405 1 1 29 CYS HB2 H -1.412 3.188 0.710 1.00 . A A . 29 CYS HB2 1 1 1 406 1 1 29 CYS HB3 H -0.941 2.474 -0.826 1.00 . A A . 29 CYS HB3 1 1 1 407 1 1 29 CYS N N -2.842 1.200 1.645 1.00 . A A . 29 CYS N 1 1 1 408 1 1 29 CYS O O 0.065 0.958 1.756 1.00 . A A . 29 CYS O 1 1 1 409 1 1 29 CYS SG S -3.188 3.268 -0.876 1.00 . A A . 29 CYS SG 1 1 1 410 1 1 30 CYS C C 1.955 -0.982 -0.653 1.00 . A A . 30 CYS C 1 1 1 411 1 1 30 CYS CA C 0.923 -1.331 0.415 1.00 . A A . 30 CYS CA 1 1 1 412 1 1 30 CYS CB C 0.639 -2.832 0.401 1.00 . A A . 30 CYS CB 1 1 1 413 1 1 30 CYS H H -0.922 -0.924 -0.519 1.00 . A A . 30 CYS H 1 1 1 414 1 1 30 CYS HA H 1.306 -1.052 1.384 1.00 . A A . 30 CYS HA 1 1 1 415 1 1 30 CYS HB2 H 1.461 -3.353 0.857 1.00 . A A . 30 CYS HB2 1 1 1 416 1 1 30 CYS HB3 H -0.257 -3.022 0.970 1.00 . A A . 30 CYS HB3 1 1 1 417 1 1 30 CYS N N -0.311 -0.600 0.176 1.00 . A A . 30 CYS N 1 1 1 418 1 1 30 CYS O O 1.600 -0.774 -1.816 1.00 . A A . 30 CYS O 1 1 1 419 1 1 30 CYS SG S 0.385 -3.520 -1.271 1.00 . A A . 30 CYS SG 1 1 1 420 1 1 31 LYS C C 5.598 -1.223 -0.730 1.00 . A A . 31 LYS C 1 1 1 421 1 1 31 LYS CA C 4.294 -0.583 -1.192 1.00 . A A . 31 LYS CA 1 1 1 422 1 1 31 LYS CB C 4.452 0.934 -1.317 1.00 . A A . 31 LYS CB 1 1 1 423 1 1 31 LYS CD C 6.614 2.208 -1.536 1.00 . A A . 31 LYS CD 1 1 1 424 1 1 31 LYS CE C 6.022 3.484 -0.966 1.00 . A A . 31 LYS CE 1 1 1 425 1 1 31 LYS CG C 5.567 1.374 -2.257 1.00 . A A . 31 LYS CG 1 1 1 426 1 1 31 LYS H H 3.443 -1.081 0.679 1.00 . A A . 31 LYS H 1 1 1 427 1 1 31 LYS HA H 4.033 -0.991 -2.157 1.00 . A A . 31 LYS HA 1 1 1 428 1 1 31 LYS HB2 H 3.528 1.345 -1.690 1.00 . A A . 31 LYS HB2 1 1 1 429 1 1 31 LYS HB3 H 4.650 1.343 -0.339 1.00 . A A . 31 LYS HB3 1 1 1 430 1 1 31 LYS HD2 H 7.032 1.627 -0.729 1.00 . A A . 31 LYS HD2 1 1 1 431 1 1 31 LYS HD3 H 7.393 2.468 -2.235 1.00 . A A . 31 LYS HD3 1 1 1 432 1 1 31 LYS HE2 H 5.590 4.059 -1.771 1.00 . A A . 31 LYS HE2 1 1 1 433 1 1 31 LYS HE3 H 5.252 3.224 -0.257 1.00 . A A . 31 LYS HE3 1 1 1 434 1 1 31 LYS HG2 H 6.043 0.501 -2.671 1.00 . A A . 31 LYS HG2 1 1 1 435 1 1 31 LYS HG3 H 5.139 1.963 -3.054 1.00 . A A . 31 LYS HG3 1 1 1 436 1 1 31 LYS HZ1 H 7.784 4.594 -0.955 1.00 . A A . 31 LYS HZ1 1 1 1 437 1 1 31 LYS HZ2 H 7.492 3.765 0.485 1.00 . A A . 31 LYS HZ2 1 1 1 438 1 1 31 LYS HZ3 H 6.616 5.160 0.118 1.00 . A A . 31 LYS HZ3 1 1 1 439 1 1 31 LYS N N 3.220 -0.911 -0.263 1.00 . A A . 31 LYS N 1 1 1 440 1 1 31 LYS NZ N 7.048 4.307 -0.282 1.00 . A A . 31 LYS NZ 1 1 1 441 1 1 31 LYS O O 5.785 -1.493 0.457 1.00 . A A . 31 LYS O 1 1 1 442 1 1 32 TRP C C 8.575 -1.285 -0.407 1.00 . A A . 32 TRP C 1 1 1 443 1 1 32 TRP CA C 7.755 -2.127 -1.381 1.00 . A A . 32 TRP CA 1 1 1 444 1 1 32 TRP CB C 8.546 -2.363 -2.666 1.00 . A A . 32 TRP CB 1 1 1 445 1 1 32 TRP CD1 C 6.812 -2.574 -4.536 1.00 . A A . 32 TRP CD1 1 1 1 446 1 1 32 TRP CD2 C 7.839 -4.491 -4.017 1.00 . A A . 32 TRP CD2 1 1 1 447 1 1 32 TRP CE2 C 6.918 -4.740 -5.051 1.00 . A A . 32 TRP CE2 1 1 1 448 1 1 32 TRP CE3 C 8.603 -5.552 -3.526 1.00 . A A . 32 TRP CE3 1 1 1 449 1 1 32 TRP CG C 7.762 -3.096 -3.708 1.00 . A A . 32 TRP CG 1 1 1 450 1 1 32 TRP CH2 C 7.500 -7.026 -5.098 1.00 . A A . 32 TRP CH2 1 1 1 451 1 1 32 TRP CZ2 C 6.739 -6.006 -5.599 1.00 . A A . 32 TRP CZ2 1 1 1 452 1 1 32 TRP CZ3 C 8.425 -6.809 -4.070 1.00 . A A . 32 TRP CZ3 1 1 1 453 1 1 32 TRP H H 6.258 -1.271 -2.606 1.00 . A A . 32 TRP H 1 1 1 454 1 1 32 TRP HA H 7.544 -3.080 -0.923 1.00 . A A . 32 TRP HA 1 1 1 455 1 1 32 TRP HB2 H 8.847 -1.412 -3.078 1.00 . A A . 32 TRP HB2 1 1 1 456 1 1 32 TRP HB3 H 9.425 -2.946 -2.436 1.00 . A A . 32 TRP HB3 1 1 1 457 1 1 32 TRP HD1 H 6.517 -1.534 -4.543 1.00 . A A . 32 TRP HD1 1 1 1 458 1 1 32 TRP HE1 H 5.612 -3.424 -6.034 1.00 . A A . 32 TRP HE1 1 1 1 459 1 1 32 TRP HE3 H 9.320 -5.403 -2.732 1.00 . A A . 32 TRP HE3 1 1 1 460 1 1 32 TRP HH2 H 7.394 -8.023 -5.494 1.00 . A A . 32 TRP HH2 1 1 1 461 1 1 32 TRP HZ2 H 6.030 -6.192 -6.393 1.00 . A A . 32 TRP HZ2 1 1 1 462 1 1 32 TRP HZ3 H 9.006 -7.642 -3.702 1.00 . A A . 32 TRP HZ3 1 1 1 463 1 1 32 TRP N N 6.479 -1.493 -1.678 1.00 . A A . 32 TRP N 1 1 1 464 1 1 32 TRP NE1 N 6.304 -3.554 -5.350 1.00 . A A . 32 TRP NE1 1 1 1 465 1 1 32 TRP O O 8.664 -0.064 -0.549 1.00 . A A . 32 TRP O 1 1 1 466 1 1 33 PRO C C 11.150 -0.456 0.953 1.00 . A A . 33 PRO C 1 1 1 467 1 1 33 PRO CA C 10.004 -1.223 1.595 1.00 . A A . 33 PRO CA 1 1 1 468 1 1 33 PRO CB C 10.550 -2.346 2.484 1.00 . A A . 33 PRO CB 1 1 1 469 1 1 33 PRO CD C 9.147 -3.379 0.845 1.00 . A A . 33 PRO CD 1 1 1 470 1 1 33 PRO CG C 9.640 -3.503 2.258 1.00 . A A . 33 PRO CG 1 1 1 471 1 1 33 PRO HA H 9.406 -0.548 2.187 1.00 . A A . 33 PRO HA 1 1 1 472 1 1 33 PRO HB2 H 11.562 -2.578 2.190 1.00 . A A . 33 PRO HB2 1 1 1 473 1 1 33 PRO HB3 H 10.533 -2.029 3.517 1.00 . A A . 33 PRO HB3 1 1 1 474 1 1 33 PRO HD2 H 9.803 -3.909 0.166 1.00 . A A . 33 PRO HD2 1 1 1 475 1 1 33 PRO HD3 H 8.137 -3.753 0.767 1.00 . A A . 33 PRO HD3 1 1 1 476 1 1 33 PRO HG2 H 10.185 -4.428 2.384 1.00 . A A . 33 PRO HG2 1 1 1 477 1 1 33 PRO HG3 H 8.811 -3.460 2.949 1.00 . A A . 33 PRO HG3 1 1 1 478 1 1 33 PRO N N 9.191 -1.925 0.599 1.00 . A A . 33 PRO N 1 1 1 479 1 1 33 PRO O O 11.455 0.677 1.333 1.00 . A A . 33 PRO O 1 1 1 480 1 1 34 TRP C C 12.428 0.516 -1.765 1.00 . A A . 34 TRP C 1 1 1 481 1 1 34 TRP CA C 12.908 -0.495 -0.732 1.00 . A A . 34 TRP CA 1 1 1 482 1 1 34 TRP CB C 13.721 -1.604 -1.391 1.00 . A A . 34 TRP CB 1 1 1 483 1 1 34 TRP CD1 C 11.890 -2.294 -3.063 1.00 . A A . 34 TRP CD1 1 1 1 484 1 1 34 TRP CD2 C 12.976 -3.990 -2.100 1.00 . A A . 34 TRP CD2 1 1 1 485 1 1 34 TRP CE2 C 12.013 -4.521 -2.974 1.00 . A A . 34 TRP CE2 1 1 1 486 1 1 34 TRP CE3 C 13.785 -4.856 -1.378 1.00 . A A . 34 TRP CE3 1 1 1 487 1 1 34 TRP CG C 12.886 -2.574 -2.169 1.00 . A A . 34 TRP CG 1 1 1 488 1 1 34 TRP CH2 C 12.646 -6.722 -2.417 1.00 . A A . 34 TRP CH2 1 1 1 489 1 1 34 TRP CZ2 C 11.839 -5.890 -3.141 1.00 . A A . 34 TRP CZ2 1 1 1 490 1 1 34 TRP CZ3 C 13.615 -6.216 -1.540 1.00 . A A . 34 TRP CZ3 1 1 1 491 1 1 34 TRP H H 11.490 -1.988 -0.265 1.00 . A A . 34 TRP H 1 1 1 492 1 1 34 TRP HA H 13.528 0.013 -0.010 1.00 . A A . 34 TRP HA 1 1 1 493 1 1 34 TRP HB2 H 14.447 -1.178 -2.058 1.00 . A A . 34 TRP HB2 1 1 1 494 1 1 34 TRP HB3 H 14.232 -2.154 -0.620 1.00 . A A . 34 TRP HB3 1 1 1 495 1 1 34 TRP HD1 H 11.576 -1.299 -3.338 1.00 . A A . 34 TRP HD1 1 1 1 496 1 1 34 TRP HE1 H 10.633 -3.532 -4.213 1.00 . A A . 34 TRP HE1 1 1 1 497 1 1 34 TRP HE3 H 14.536 -4.474 -0.701 1.00 . A A . 34 TRP HE3 1 1 1 498 1 1 34 TRP HH2 H 12.543 -7.791 -2.512 1.00 . A A . 34 TRP HH2 1 1 1 499 1 1 34 TRP HZ2 H 11.098 -6.295 -3.815 1.00 . A A . 34 TRP HZ2 1 1 1 500 1 1 34 TRP HZ3 H 14.233 -6.907 -0.986 1.00 . A A . 34 TRP HZ3 1 1 1 501 1 1 34 TRP N N 11.784 -1.087 -0.018 1.00 . A A . 34 TRP N 1 1 1 502 1 1 34 TRP NE1 N 11.362 -3.464 -3.555 1.00 . A A . 34 TRP NE1 1 1 1 503 1 1 34 TRP O O 12.874 0.516 -2.913 1.00 . A A . 34 TRP O 1 1 1 504 1 1 35 ASN C C 10.451 3.580 -1.431 1.00 . A A . 35 ASN C 1 1 1 505 1 1 35 ASN CA C 10.953 2.384 -2.235 1.00 . A A . 35 ASN CA 1 1 1 506 1 1 35 ASN CB C 9.816 1.779 -3.066 1.00 . A A . 35 ASN CB 1 1 1 507 1 1 35 ASN CG C 9.176 2.762 -4.037 1.00 . A A . 35 ASN CG 1 1 1 508 1 1 35 ASN H H 11.196 1.313 -0.425 1.00 . A A . 35 ASN H 1 1 1 509 1 1 35 ASN HA H 11.738 2.715 -2.899 1.00 . A A . 35 ASN HA 1 1 1 510 1 1 35 ASN HB2 H 10.205 0.950 -3.638 1.00 . A A . 35 ASN HB2 1 1 1 511 1 1 35 ASN HB3 H 9.051 1.414 -2.398 1.00 . A A . 35 ASN HB3 1 1 1 512 1 1 35 ASN HD21 H 10.689 4.042 -3.840 1.00 . A A . 35 ASN HD21 1 1 1 513 1 1 35 ASN HD22 H 9.421 4.529 -4.909 1.00 . A A . 35 ASN HD22 1 1 1 514 1 1 35 ASN N N 11.512 1.370 -1.350 1.00 . A A . 35 ASN N 1 1 1 515 1 1 35 ASN ND2 N 9.827 3.890 -4.286 1.00 . A A . 35 ASN ND2 1 1 1 516 1 1 35 ASN O O 9.369 4.114 -1.686 1.00 . A A . 35 ASN O 1 1 1 517 1 1 35 ASN OD1 O 8.106 2.497 -4.580 1.00 . A A . 35 ASN OD1 1 1 1 518 1 1 36 ALA C C 9.492 5.005 0.924 1.00 . A A . 36 ALA C 1 1 1 519 1 1 36 ALA CA C 10.916 5.134 0.386 1.00 . A A . 36 ALA CA 1 1 1 520 1 1 36 ALA CB C 11.092 6.435 -0.388 1.00 . A A . 36 ALA CB 1 1 1 521 1 1 36 ALA H H 12.105 3.529 -0.312 1.00 . A A . 36 ALA H 1 1 1 522 1 1 36 ALA HA H 11.603 5.142 1.220 1.00 . A A . 36 ALA HA 1 1 1 523 1 1 36 ALA HB1 H 10.964 7.273 0.281 1.00 . A A . 36 ALA HB1 1 1 1 524 1 1 36 ALA HB2 H 10.355 6.489 -1.177 1.00 . A A . 36 ALA HB2 1 1 1 525 1 1 36 ALA HB3 H 12.081 6.466 -0.819 1.00 . A A . 36 ALA HB3 1 1 1 526 1 1 36 ALA N N 11.255 3.997 -0.460 1.00 . A A . 36 ALA N 1 1 1 527 1 1 36 ALA O O 8.725 5.988 0.848 1.00 . A A . 36 ALA O 1 1 1 528 1 1 36 ALA OXT O 9.135 3.911 1.408 1.00 . A A . 36 ALA OXT 1 1 2 529 1 1 1 LEU C C 1.169 7.068 -4.949 1.00 . A A . 1 LEU C 1 1 2 530 1 1 1 LEU CA C 2.644 6.758 -5.201 1.00 . A A . 1 LEU CA 1 1 2 531 1 1 1 LEU CB C 3.127 5.576 -4.344 1.00 . A A . 1 LEU CB 1 1 2 532 1 1 1 LEU CD1 C 4.775 6.679 -2.792 1.00 . A A . 1 LEU CD1 1 1 2 533 1 1 1 LEU CD2 C 2.349 6.626 -2.202 1.00 . A A . 1 LEU CD2 1 1 2 534 1 1 1 LEU CG C 3.482 5.882 -2.884 1.00 . A A . 1 LEU CG 1 1 2 535 1 1 1 LEU H1 H 4.489 7.674 -4.887 1.00 . A A . 1 LEU H1 1 1 2 536 1 1 1 LEU H2 H 3.212 8.392 -4.044 1.00 . A A . 1 LEU H2 1 1 2 537 1 1 1 LEU H3 H 3.372 8.638 -5.705 1.00 . A A . 1 LEU H3 1 1 2 538 1 1 1 LEU HA H 2.759 6.497 -6.243 1.00 . A A . 1 LEU HA 1 1 2 539 1 1 1 LEU HB2 H 2.352 4.826 -4.346 1.00 . A A . 1 LEU HB2 1 1 2 540 1 1 1 LEU HB3 H 4.001 5.158 -4.819 1.00 . A A . 1 LEU HB3 1 1 2 541 1 1 1 LEU HD11 H 5.352 6.329 -1.950 1.00 . A A . 1 LEU HD11 1 1 2 542 1 1 1 LEU HD12 H 4.546 7.725 -2.659 1.00 . A A . 1 LEU HD12 1 1 2 543 1 1 1 LEU HD13 H 5.347 6.548 -3.698 1.00 . A A . 1 LEU HD13 1 1 2 544 1 1 1 LEU HD21 H 1.406 6.200 -2.506 1.00 . A A . 1 LEU HD21 1 1 2 545 1 1 1 LEU HD22 H 2.380 7.667 -2.483 1.00 . A A . 1 LEU HD22 1 1 2 546 1 1 1 LEU HD23 H 2.456 6.539 -1.132 1.00 . A A . 1 LEU HD23 1 1 2 547 1 1 1 LEU HG H 3.631 4.946 -2.356 1.00 . A A . 1 LEU HG 1 1 2 548 1 1 1 LEU N N 3.489 7.946 -4.940 1.00 . A A . 1 LEU N 1 1 2 549 1 1 1 LEU O O 0.833 8.040 -4.264 1.00 . A A . 1 LEU O 1 1 2 550 1 1 2 PHE C C -1.620 6.429 -3.964 1.00 . A A . 2 PHE C 1 1 2 551 1 1 2 PHE CA C -1.147 6.437 -5.417 1.00 . A A . 2 PHE CA 1 1 2 552 1 1 2 PHE CB C -1.890 5.356 -6.206 1.00 . A A . 2 PHE CB 1 1 2 553 1 1 2 PHE CD1 C -0.545 5.620 -8.325 1.00 . A A . 2 PHE CD1 1 1 2 554 1 1 2 PHE CD2 C -2.922 5.506 -8.491 1.00 . A A . 2 PHE CD2 1 1 2 555 1 1 2 PHE CE1 C -0.453 5.748 -9.697 1.00 . A A . 2 PHE CE1 1 1 2 556 1 1 2 PHE CE2 C -2.835 5.634 -9.864 1.00 . A A . 2 PHE CE2 1 1 2 557 1 1 2 PHE CG C -1.781 5.498 -7.703 1.00 . A A . 2 PHE CG 1 1 2 558 1 1 2 PHE CZ C -1.599 5.755 -10.468 1.00 . A A . 2 PHE CZ 1 1 2 559 1 1 2 PHE H H 0.637 5.514 -6.079 1.00 . A A . 2 PHE H 1 1 2 560 1 1 2 PHE HA H -1.386 7.399 -5.846 1.00 . A A . 2 PHE HA 1 1 2 561 1 1 2 PHE HB2 H -1.492 4.391 -5.938 1.00 . A A . 2 PHE HB2 1 1 2 562 1 1 2 PHE HB3 H -2.938 5.389 -5.945 1.00 . A A . 2 PHE HB3 1 1 2 563 1 1 2 PHE HD1 H 0.352 5.614 -7.728 1.00 . A A . 2 PHE HD1 1 1 2 564 1 1 2 PHE HD2 H -3.890 5.413 -8.022 1.00 . A A . 2 PHE HD2 1 1 2 565 1 1 2 PHE HE1 H 0.514 5.843 -10.168 1.00 . A A . 2 PHE HE1 1 1 2 566 1 1 2 PHE HE2 H -3.732 5.638 -10.465 1.00 . A A . 2 PHE HE2 1 1 2 567 1 1 2 PHE HZ H -1.529 5.854 -11.541 1.00 . A A . 2 PHE HZ 1 1 2 568 1 1 2 PHE N N 0.297 6.255 -5.534 1.00 . A A . 2 PHE N 1 1 2 569 1 1 2 PHE O O -0.969 5.861 -3.082 1.00 . A A . 2 PHE O 1 1 2 570 1 1 3 CYS C C -2.359 7.516 -1.352 1.00 . A A . 3 CYS C 1 1 2 571 1 1 3 CYS CA C -3.381 7.164 -2.421 1.00 . A A . 3 CYS CA 1 1 2 572 1 1 3 CYS CB C -4.103 5.857 -2.066 1.00 . A A . 3 CYS CB 1 1 2 573 1 1 3 CYS H H -3.219 7.493 -4.499 1.00 . A A . 3 CYS H 1 1 2 574 1 1 3 CYS HA H -4.111 7.957 -2.464 1.00 . A A . 3 CYS HA 1 1 2 575 1 1 3 CYS HB2 H -4.492 5.933 -1.062 1.00 . A A . 3 CYS HB2 1 1 2 576 1 1 3 CYS HB3 H -4.925 5.715 -2.752 1.00 . A A . 3 CYS HB3 1 1 2 577 1 1 3 CYS N N -2.765 7.070 -3.741 1.00 . A A . 3 CYS N 1 1 2 578 1 1 3 CYS O O -2.450 7.058 -0.212 1.00 . A A . 3 CYS O 1 1 2 579 1 1 3 CYS SG S -3.059 4.362 -2.137 1.00 . A A . 3 CYS SG 1 1 2 580 1 1 4 LYS C C 0.115 7.586 0.046 1.00 . A A . 4 LYS C 1 1 2 581 1 1 4 LYS CA C -0.350 8.763 -0.796 1.00 . A A . 4 LYS CA 1 1 2 582 1 1 4 LYS CB C -0.853 9.888 0.113 1.00 . A A . 4 LYS CB 1 1 2 583 1 1 4 LYS CD C -1.662 12.262 0.317 1.00 . A A . 4 LYS CD 1 1 2 584 1 1 4 LYS CE C -0.561 12.625 1.304 1.00 . A A . 4 LYS CE 1 1 2 585 1 1 4 LYS CG C -1.228 11.156 -0.633 1.00 . A A . 4 LYS CG 1 1 2 586 1 1 4 LYS H H -1.377 8.679 -2.643 1.00 . A A . 4 LYS H 1 1 2 587 1 1 4 LYS HA H 0.485 9.124 -1.377 1.00 . A A . 4 LYS HA 1 1 2 588 1 1 4 LYS HB2 H -1.724 9.540 0.649 1.00 . A A . 4 LYS HB2 1 1 2 589 1 1 4 LYS HB3 H -0.078 10.130 0.825 1.00 . A A . 4 LYS HB3 1 1 2 590 1 1 4 LYS HD2 H -1.918 13.137 -0.259 1.00 . A A . 4 LYS HD2 1 1 2 591 1 1 4 LYS HD3 H -2.528 11.926 0.867 1.00 . A A . 4 LYS HD3 1 1 2 592 1 1 4 LYS HE2 H -0.447 11.816 2.010 1.00 . A A . 4 LYS HE2 1 1 2 593 1 1 4 LYS HE3 H 0.364 12.759 0.762 1.00 . A A . 4 LYS HE3 1 1 2 594 1 1 4 LYS HG2 H -0.373 11.496 -1.197 1.00 . A A . 4 LYS HG2 1 1 2 595 1 1 4 LYS HG3 H -2.041 10.935 -1.308 1.00 . A A . 4 LYS HG3 1 1 2 596 1 1 4 LYS HZ1 H -1.800 13.790 2.510 1.00 . A A . 4 LYS HZ1 1 1 2 597 1 1 4 LYS HZ2 H -0.896 14.680 1.395 1.00 . A A . 4 LYS HZ2 1 1 2 598 1 1 4 LYS HZ3 H -0.152 14.046 2.773 1.00 . A A . 4 LYS HZ3 1 1 2 599 1 1 4 LYS N N -1.390 8.342 -1.723 1.00 . A A . 4 LYS N 1 1 2 600 1 1 4 LYS NZ N -0.873 13.871 2.048 1.00 . A A . 4 LYS NZ 1 1 2 601 1 1 4 LYS O O 0.406 7.732 1.233 1.00 . A A . 4 LYS O 1 1 2 602 1 1 5 GLY C C 1.184 4.193 -0.816 1.00 . A A . 5 GLY C 1 1 2 603 1 1 5 GLY CA C 0.609 5.232 0.121 1.00 . A A . 5 GLY CA 1 1 2 604 1 1 5 GLY H H -0.067 6.370 -1.525 1.00 . A A . 5 GLY H 1 1 2 605 1 1 5 GLY HA2 H 1.358 5.503 0.847 1.00 . A A . 5 GLY HA2 1 1 2 606 1 1 5 GLY HA3 H -0.238 4.806 0.635 1.00 . A A . 5 GLY HA3 1 1 2 607 1 1 5 GLY N N 0.180 6.421 -0.577 1.00 . A A . 5 GLY N 1 1 2 608 1 1 5 GLY O O 2.305 3.730 -0.623 1.00 . A A . 5 GLY O 1 1 2 609 1 1 6 GLY C C -0.218 1.932 -3.251 1.00 . A A . 6 GLY C 1 1 2 610 1 1 6 GLY CA C 0.893 2.841 -2.785 1.00 . A A . 6 GLY CA 1 1 2 611 1 1 6 GLY H H -0.464 4.235 -1.953 1.00 . A A . 6 GLY H 1 1 2 612 1 1 6 GLY HA2 H 1.318 3.345 -3.639 1.00 . A A . 6 GLY HA2 1 1 2 613 1 1 6 GLY HA3 H 1.658 2.241 -2.316 1.00 . A A . 6 GLY HA3 1 1 2 614 1 1 6 GLY N N 0.425 3.829 -1.836 1.00 . A A . 6 GLY N 1 1 2 615 1 1 6 GLY O O -1.346 2.379 -3.463 1.00 . A A . 6 GLY O 1 1 2 616 1 1 7 SER C C -1.925 -0.528 -2.731 1.00 . A A . 7 SER C 1 1 2 617 1 1 7 SER CA C -0.881 -0.327 -3.822 1.00 . A A . 7 SER CA 1 1 2 618 1 1 7 SER CB C -0.174 -1.647 -4.131 1.00 . A A . 7 SER CB 1 1 2 619 1 1 7 SER H H 1.005 0.364 -3.193 1.00 . A A . 7 SER H 1 1 2 620 1 1 7 SER HA H -1.363 0.038 -4.715 1.00 . A A . 7 SER HA 1 1 2 621 1 1 7 SER HB2 H 0.161 -2.098 -3.209 1.00 . A A . 7 SER HB2 1 1 2 622 1 1 7 SER HB3 H -0.862 -2.314 -4.630 1.00 . A A . 7 SER HB3 1 1 2 623 1 1 7 SER HG H 0.643 -1.207 -5.859 1.00 . A A . 7 SER HG 1 1 2 624 1 1 7 SER N N 0.094 0.657 -3.393 1.00 . A A . 7 SER N 1 1 2 625 1 1 7 SER O O -1.598 -0.937 -1.618 1.00 . A A . 7 SER O 1 1 2 626 1 1 7 SER OG O 0.951 -1.434 -4.972 1.00 . A A . 7 SER OG 1 1 2 627 1 1 8 CYS C C -4.333 -1.859 -1.637 1.00 . A A . 8 CYS C 1 1 2 628 1 1 8 CYS CA C -4.234 -0.397 -2.057 1.00 . A A . 8 CYS CA 1 1 2 629 1 1 8 CYS CB C -5.568 0.088 -2.619 1.00 . A A . 8 CYS CB 1 1 2 630 1 1 8 CYS H H -3.391 0.089 -3.936 1.00 . A A . 8 CYS H 1 1 2 631 1 1 8 CYS HA H -3.978 0.197 -1.192 1.00 . A A . 8 CYS HA 1 1 2 632 1 1 8 CYS HB2 H -5.947 -0.640 -3.320 1.00 . A A . 8 CYS HB2 1 1 2 633 1 1 8 CYS HB3 H -6.265 0.194 -1.798 1.00 . A A . 8 CYS HB3 1 1 2 634 1 1 8 CYS N N -3.176 -0.239 -3.037 1.00 . A A . 8 CYS N 1 1 2 635 1 1 8 CYS O O -4.349 -2.752 -2.486 1.00 . A A . 8 CYS O 1 1 2 636 1 1 8 CYS SG S -5.479 1.698 -3.475 1.00 . A A . 8 CYS SG 1 1 2 637 1 1 9 HIS C C -5.664 -4.218 -0.301 1.00 . A A . 9 HIS C 1 1 2 638 1 1 9 HIS CA C -4.443 -3.456 0.203 1.00 . A A . 9 HIS CA 1 1 2 639 1 1 9 HIS CB C -4.446 -3.447 1.736 1.00 . A A . 9 HIS CB 1 1 2 640 1 1 9 HIS CD2 C -1.889 -3.865 1.790 1.00 . A A . 9 HIS CD2 1 1 2 641 1 1 9 HIS CE1 C -1.646 -4.066 3.956 1.00 . A A . 9 HIS CE1 1 1 2 642 1 1 9 HIS CG C -3.107 -3.704 2.352 1.00 . A A . 9 HIS CG 1 1 2 643 1 1 9 HIS H H -4.333 -1.345 0.293 1.00 . A A . 9 HIS H 1 1 2 644 1 1 9 HIS HA H -3.562 -3.974 -0.132 1.00 . A A . 9 HIS HA 1 1 2 645 1 1 9 HIS HB2 H -4.783 -2.486 2.078 1.00 . A A . 9 HIS HB2 1 1 2 646 1 1 9 HIS HB3 H -5.125 -4.208 2.093 1.00 . A A . 9 HIS HB3 1 1 2 647 1 1 9 HIS HD1 H -3.622 -3.774 4.398 1.00 . A A . 9 HIS HD1 1 1 2 648 1 1 9 HIS HD2 H -1.659 -3.817 0.735 1.00 . A A . 9 HIS HD2 1 1 2 649 1 1 9 HIS HE1 H -1.208 -4.210 4.932 1.00 . A A . 9 HIS HE1 1 1 2 650 1 1 9 HIS HE2 H -0.100 -4.469 2.689 1.00 . A A . 9 HIS HE2 1 1 2 651 1 1 9 HIS N N -4.373 -2.099 -0.331 1.00 . A A . 9 HIS N 1 1 2 652 1 1 9 HIS ND1 N -2.920 -3.835 3.710 1.00 . A A . 9 HIS ND1 1 1 2 653 1 1 9 HIS NE2 N -0.996 -4.091 2.808 1.00 . A A . 9 HIS NE2 1 1 2 654 1 1 9 HIS O O -6.628 -4.416 0.434 1.00 . A A . 9 HIS O 1 1 2 655 1 1 10 PHE C C -6.647 -6.856 -1.519 1.00 . A A . 10 PHE C 1 1 2 656 1 1 10 PHE CA C -6.692 -5.452 -2.112 1.00 . A A . 10 PHE CA 1 1 2 657 1 1 10 PHE CB C -6.587 -5.501 -3.641 1.00 . A A . 10 PHE CB 1 1 2 658 1 1 10 PHE CD1 C -7.287 -3.082 -3.741 1.00 . A A . 10 PHE CD1 1 1 2 659 1 1 10 PHE CD2 C -7.816 -4.499 -5.586 1.00 . A A . 10 PHE CD2 1 1 2 660 1 1 10 PHE CE1 C -7.896 -2.019 -4.382 1.00 . A A . 10 PHE CE1 1 1 2 661 1 1 10 PHE CE2 C -8.427 -3.439 -6.229 1.00 . A A . 10 PHE CE2 1 1 2 662 1 1 10 PHE CG C -7.239 -4.335 -4.336 1.00 . A A . 10 PHE CG 1 1 2 663 1 1 10 PHE CZ C -8.467 -2.198 -5.626 1.00 . A A . 10 PHE CZ 1 1 2 664 1 1 10 PHE H H -4.801 -4.504 -2.075 1.00 . A A . 10 PHE H 1 1 2 665 1 1 10 PHE HA H -7.626 -4.984 -1.832 1.00 . A A . 10 PHE HA 1 1 2 666 1 1 10 PHE HB2 H -5.545 -5.513 -3.922 1.00 . A A . 10 PHE HB2 1 1 2 667 1 1 10 PHE HB3 H -7.060 -6.404 -3.995 1.00 . A A . 10 PHE HB3 1 1 2 668 1 1 10 PHE HD1 H -6.842 -2.939 -2.768 1.00 . A A . 10 PHE HD1 1 1 2 669 1 1 10 PHE HD2 H -7.786 -5.469 -6.060 1.00 . A A . 10 PHE HD2 1 1 2 670 1 1 10 PHE HE1 H -7.926 -1.048 -3.909 1.00 . A A . 10 PHE HE1 1 1 2 671 1 1 10 PHE HE2 H -8.872 -3.581 -7.202 1.00 . A A . 10 PHE HE2 1 1 2 672 1 1 10 PHE HZ H -8.944 -1.369 -6.127 1.00 . A A . 10 PHE HZ 1 1 2 673 1 1 10 PHE N N -5.607 -4.672 -1.540 1.00 . A A . 10 PHE N 1 1 2 674 1 1 10 PHE O O -6.231 -7.816 -2.174 1.00 . A A . 10 PHE O 1 1 2 675 1 1 11 GLY C C -5.612 -8.501 1.004 1.00 . A A . 11 GLY C 1 1 2 676 1 1 11 GLY CA C -6.990 -8.228 0.441 1.00 . A A . 11 GLY CA 1 1 2 677 1 1 11 GLY H H -7.312 -6.147 0.231 1.00 . A A . 11 GLY H 1 1 2 678 1 1 11 GLY HA2 H -7.707 -8.212 1.248 1.00 . A A . 11 GLY HA2 1 1 2 679 1 1 11 GLY HA3 H -7.250 -9.014 -0.248 1.00 . A A . 11 GLY HA3 1 1 2 680 1 1 11 GLY N N -7.028 -6.956 -0.252 1.00 . A A . 11 GLY N 1 1 2 681 1 1 11 GLY O O -5.463 -9.188 2.017 1.00 . A A . 11 GLY O 1 1 2 682 1 1 12 GLY C C -2.322 -7.125 0.067 1.00 . A A . 12 GLY C 1 1 2 683 1 1 12 GLY CA C -3.233 -8.114 0.763 1.00 . A A . 12 GLY CA 1 1 2 684 1 1 12 GLY H H -4.803 -7.409 -0.452 1.00 . A A . 12 GLY H 1 1 2 685 1 1 12 GLY HA2 H -3.170 -7.962 1.831 1.00 . A A . 12 GLY HA2 1 1 2 686 1 1 12 GLY HA3 H -2.910 -9.116 0.529 1.00 . A A . 12 GLY HA3 1 1 2 687 1 1 12 GLY N N -4.608 -7.947 0.341 1.00 . A A . 12 GLY N 1 1 2 688 1 1 12 GLY O O -2.549 -5.917 0.131 1.00 . A A . 12 GLY O 1 1 2 689 1 1 13 CYS C C 0.414 -7.661 -2.323 1.00 . A A . 13 CYS C 1 1 2 690 1 1 13 CYS CA C -0.359 -6.795 -1.330 1.00 . A A . 13 CYS CA 1 1 2 691 1 1 13 CYS CB C 0.613 -6.111 -0.359 1.00 . A A . 13 CYS CB 1 1 2 692 1 1 13 CYS H H -1.185 -8.606 -0.626 1.00 . A A . 13 CYS H 1 1 2 693 1 1 13 CYS HA H -0.916 -6.044 -1.871 1.00 . A A . 13 CYS HA 1 1 2 694 1 1 13 CYS HB2 H 0.101 -5.883 0.560 1.00 . A A . 13 CYS HB2 1 1 2 695 1 1 13 CYS HB3 H 1.420 -6.792 -0.160 1.00 . A A . 13 CYS HB3 1 1 2 696 1 1 13 CYS N N -1.305 -7.632 -0.607 1.00 . A A . 13 CYS N 1 1 2 697 1 1 13 CYS O O 0.532 -8.873 -2.136 1.00 . A A . 13 CYS O 1 1 2 698 1 1 13 CYS SG S 1.371 -4.568 -0.972 1.00 . A A . 13 CYS SG 1 1 2 699 1 1 14 PRO C C 2.867 -8.560 -3.816 1.00 . A A . 14 PRO C 1 1 2 700 1 1 14 PRO CA C 1.718 -7.760 -4.413 1.00 . A A . 14 PRO CA 1 1 2 701 1 1 14 PRO CB C 2.261 -6.634 -5.297 1.00 . A A . 14 PRO CB 1 1 2 702 1 1 14 PRO CD C 0.859 -5.615 -3.651 1.00 . A A . 14 PRO CD 1 1 2 703 1 1 14 PRO CG C 1.346 -5.483 -5.066 1.00 . A A . 14 PRO CG 1 1 2 704 1 1 14 PRO HA H 1.089 -8.414 -4.998 1.00 . A A . 14 PRO HA 1 1 2 705 1 1 14 PRO HB2 H 3.272 -6.397 -5.000 1.00 . A A . 14 PRO HB2 1 1 2 706 1 1 14 PRO HB3 H 2.248 -6.945 -6.331 1.00 . A A . 14 PRO HB3 1 1 2 707 1 1 14 PRO HD2 H 1.498 -5.074 -2.973 1.00 . A A . 14 PRO HD2 1 1 2 708 1 1 14 PRO HD3 H -0.161 -5.271 -3.570 1.00 . A A . 14 PRO HD3 1 1 2 709 1 1 14 PRO HG2 H 1.885 -4.555 -5.191 1.00 . A A . 14 PRO HG2 1 1 2 710 1 1 14 PRO HG3 H 0.516 -5.530 -5.753 1.00 . A A . 14 PRO HG3 1 1 2 711 1 1 14 PRO N N 0.950 -7.052 -3.384 1.00 . A A . 14 PRO N 1 1 2 712 1 1 14 PRO O O 3.203 -9.646 -4.292 1.00 . A A . 14 PRO O 1 1 2 713 1 1 15 SER C C 4.607 -8.256 -0.627 1.00 . A A . 15 SER C 1 1 2 714 1 1 15 SER CA C 4.586 -8.652 -2.100 1.00 . A A . 15 SER CA 1 1 2 715 1 1 15 SER CB C 5.901 -8.258 -2.779 1.00 . A A . 15 SER CB 1 1 2 716 1 1 15 SER H H 3.154 -7.141 -2.450 1.00 . A A . 15 SER H 1 1 2 717 1 1 15 SER HA H 4.454 -9.720 -2.175 1.00 . A A . 15 SER HA 1 1 2 718 1 1 15 SER HB2 H 6.095 -7.210 -2.605 1.00 . A A . 15 SER HB2 1 1 2 719 1 1 15 SER HB3 H 6.707 -8.847 -2.367 1.00 . A A . 15 SER HB3 1 1 2 720 1 1 15 SER HG H 6.520 -9.125 -4.427 1.00 . A A . 15 SER HG 1 1 2 721 1 1 15 SER N N 3.468 -8.009 -2.773 1.00 . A A . 15 SER N 1 1 2 722 1 1 15 SER O O 5.656 -7.947 -0.065 1.00 . A A . 15 SER O 1 1 2 723 1 1 15 SER OG O 5.839 -8.484 -4.179 1.00 . A A . 15 SER OG 1 1 2 724 1 1 16 HIS C C 4.041 -6.615 1.707 1.00 . A A . 16 HIS C 1 1 2 725 1 1 16 HIS CA C 3.294 -7.910 1.400 1.00 . A A . 16 HIS CA 1 1 2 726 1 1 16 HIS CB C 3.809 -9.037 2.301 1.00 . A A . 16 HIS CB 1 1 2 727 1 1 16 HIS CD2 C 2.099 -10.695 1.270 1.00 . A A . 16 HIS CD2 1 1 2 728 1 1 16 HIS CE1 C 2.532 -12.427 2.534 1.00 . A A . 16 HIS CE1 1 1 2 729 1 1 16 HIS CG C 3.078 -10.334 2.133 1.00 . A A . 16 HIS CG 1 1 2 730 1 1 16 HIS H H 2.630 -8.522 -0.519 1.00 . A A . 16 HIS H 1 1 2 731 1 1 16 HIS HA H 2.245 -7.757 1.598 1.00 . A A . 16 HIS HA 1 1 2 732 1 1 16 HIS HB2 H 4.851 -9.213 2.085 1.00 . A A . 16 HIS HB2 1 1 2 733 1 1 16 HIS HB3 H 3.709 -8.731 3.332 1.00 . A A . 16 HIS HB3 1 1 2 734 1 1 16 HIS HD1 H 3.989 -11.503 3.633 1.00 . A A . 16 HIS HD1 1 1 2 735 1 1 16 HIS HD2 H 1.659 -10.072 0.505 1.00 . A A . 16 HIS HD2 1 1 2 736 1 1 16 HIS HE1 H 2.504 -13.416 2.967 1.00 . A A . 16 HIS HE1 1 1 2 737 1 1 16 HIS HE2 H 0.955 -12.447 1.235 1.00 . A A . 16 HIS HE2 1 1 2 738 1 1 16 HIS N N 3.430 -8.266 -0.011 1.00 . A A . 16 HIS N 1 1 2 739 1 1 16 HIS ND1 N 3.325 -11.443 2.910 1.00 . A A . 16 HIS ND1 1 1 2 740 1 1 16 HIS NE2 N 1.775 -12.000 1.541 1.00 . A A . 16 HIS NE2 1 1 2 741 1 1 16 HIS O O 4.769 -6.522 2.695 1.00 . A A . 16 HIS O 1 1 2 742 1 1 17 LEU C C 4.009 -3.661 2.312 1.00 . A A . 17 LEU C 1 1 2 743 1 1 17 LEU CA C 4.504 -4.328 1.029 1.00 . A A . 17 LEU CA 1 1 2 744 1 1 17 LEU CB C 4.224 -3.426 -0.177 1.00 . A A . 17 LEU CB 1 1 2 745 1 1 17 LEU CD1 C 3.887 -3.151 -2.643 1.00 . A A . 17 LEU CD1 1 1 2 746 1 1 17 LEU CD2 C 5.768 -4.570 -1.794 1.00 . A A . 17 LEU CD2 1 1 2 747 1 1 17 LEU CG C 4.342 -4.099 -1.545 1.00 . A A . 17 LEU CG 1 1 2 748 1 1 17 LEU H H 3.259 -5.753 0.092 1.00 . A A . 17 LEU H 1 1 2 749 1 1 17 LEU HA H 5.568 -4.496 1.108 1.00 . A A . 17 LEU HA 1 1 2 750 1 1 17 LEU HB2 H 3.229 -3.030 -0.084 1.00 . A A . 17 LEU HB2 1 1 2 751 1 1 17 LEU HB3 H 4.919 -2.607 -0.148 1.00 . A A . 17 LEU HB3 1 1 2 752 1 1 17 LEU HD11 H 2.888 -2.799 -2.422 1.00 . A A . 17 LEU HD11 1 1 2 753 1 1 17 LEU HD12 H 3.883 -3.671 -3.589 1.00 . A A . 17 LEU HD12 1 1 2 754 1 1 17 LEU HD13 H 4.562 -2.309 -2.697 1.00 . A A . 17 LEU HD13 1 1 2 755 1 1 17 LEU HD21 H 6.017 -5.353 -1.093 1.00 . A A . 17 LEU HD21 1 1 2 756 1 1 17 LEU HD22 H 6.449 -3.742 -1.666 1.00 . A A . 17 LEU HD22 1 1 2 757 1 1 17 LEU HD23 H 5.851 -4.951 -2.801 1.00 . A A . 17 LEU HD23 1 1 2 758 1 1 17 LEU HG H 3.694 -4.961 -1.565 1.00 . A A . 17 LEU HG 1 1 2 759 1 1 17 LEU N N 3.853 -5.620 0.855 1.00 . A A . 17 LEU N 1 1 2 760 1 1 17 LEU O O 2.871 -3.876 2.730 1.00 . A A . 17 LEU O 1 1 2 761 1 1 18 ILE C C 3.423 -1.114 3.901 1.00 . A A . 18 ILE C 1 1 2 762 1 1 18 ILE CA C 4.481 -2.180 4.172 1.00 . A A . 18 ILE CA 1 1 2 763 1 1 18 ILE CB C 5.698 -1.522 4.858 1.00 . A A . 18 ILE CB 1 1 2 764 1 1 18 ILE CD1 C 7.369 0.395 4.663 1.00 . A A . 18 ILE CD1 1 1 2 765 1 1 18 ILE CG1 C 6.280 -0.406 3.982 1.00 . A A . 18 ILE CG1 1 1 2 766 1 1 18 ILE CG2 C 6.760 -2.571 5.162 1.00 . A A . 18 ILE CG2 1 1 2 767 1 1 18 ILE H H 5.751 -2.722 2.565 1.00 . A A . 18 ILE H 1 1 2 768 1 1 18 ILE HA H 4.069 -2.917 4.847 1.00 . A A . 18 ILE HA 1 1 2 769 1 1 18 ILE HB H 5.368 -1.099 5.796 1.00 . A A . 18 ILE HB 1 1 2 770 1 1 18 ILE HD11 H 6.942 0.968 5.472 1.00 . A A . 18 ILE HD11 1 1 2 771 1 1 18 ILE HD12 H 7.822 1.065 3.948 1.00 . A A . 18 ILE HD12 1 1 2 772 1 1 18 ILE HD13 H 8.120 -0.276 5.054 1.00 . A A . 18 ILE HD13 1 1 2 773 1 1 18 ILE HG12 H 6.702 -0.841 3.089 1.00 . A A . 18 ILE HG12 1 1 2 774 1 1 18 ILE HG13 H 5.491 0.277 3.706 1.00 . A A . 18 ILE HG13 1 1 2 775 1 1 18 ILE HG21 H 7.737 -2.112 5.143 1.00 . A A . 18 ILE HG21 1 1 2 776 1 1 18 ILE HG22 H 6.717 -3.355 4.421 1.00 . A A . 18 ILE HG22 1 1 2 777 1 1 18 ILE HG23 H 6.579 -2.991 6.140 1.00 . A A . 18 ILE HG23 1 1 2 778 1 1 18 ILE N N 4.856 -2.861 2.938 1.00 . A A . 18 ILE N 1 1 2 779 1 1 18 ILE O O 3.466 -0.434 2.874 1.00 . A A . 18 ILE O 1 1 2 780 1 1 19 LYS C C 2.035 1.431 4.680 1.00 . A A . 19 LYS C 1 1 2 781 1 1 19 LYS CA C 1.431 0.035 4.652 1.00 . A A . 19 LYS CA 1 1 2 782 1 1 19 LYS CB C 0.366 -0.081 5.741 1.00 . A A . 19 LYS CB 1 1 2 783 1 1 19 LYS CD C -1.645 0.961 6.835 1.00 . A A . 19 LYS CD 1 1 2 784 1 1 19 LYS CE C -2.739 2.013 6.718 1.00 . A A . 19 LYS CE 1 1 2 785 1 1 19 LYS CG C -0.672 1.030 5.673 1.00 . A A . 19 LYS CG 1 1 2 786 1 1 19 LYS H H 2.483 -1.525 5.621 1.00 . A A . 19 LYS H 1 1 2 787 1 1 19 LYS HA H 0.969 -0.126 3.690 1.00 . A A . 19 LYS HA 1 1 2 788 1 1 19 LYS HB2 H -0.142 -1.029 5.634 1.00 . A A . 19 LYS HB2 1 1 2 789 1 1 19 LYS HB3 H 0.845 -0.042 6.708 1.00 . A A . 19 LYS HB3 1 1 2 790 1 1 19 LYS HD2 H -2.098 -0.016 6.853 1.00 . A A . 19 LYS HD2 1 1 2 791 1 1 19 LYS HD3 H -1.099 1.125 7.750 1.00 . A A . 19 LYS HD3 1 1 2 792 1 1 19 LYS HE2 H -2.290 2.992 6.786 1.00 . A A . 19 LYS HE2 1 1 2 793 1 1 19 LYS HE3 H -3.224 1.907 5.760 1.00 . A A . 19 LYS HE3 1 1 2 794 1 1 19 LYS HG2 H -0.167 1.984 5.699 1.00 . A A . 19 LYS HG2 1 1 2 795 1 1 19 LYS HG3 H -1.220 0.937 4.748 1.00 . A A . 19 LYS HG3 1 1 2 796 1 1 19 LYS HZ1 H -4.582 2.464 7.577 1.00 . A A . 19 LYS HZ1 1 1 2 797 1 1 19 LYS HZ2 H -3.360 2.168 8.704 1.00 . A A . 19 LYS HZ2 1 1 2 798 1 1 19 LYS HZ3 H -4.064 0.884 7.864 1.00 . A A . 19 LYS HZ3 1 1 2 799 1 1 19 LYS N N 2.475 -0.963 4.817 1.00 . A A . 19 LYS N 1 1 2 800 1 1 19 LYS NZ N -3.756 1.872 7.791 1.00 . A A . 19 LYS NZ 1 1 2 801 1 1 19 LYS O O 2.319 1.977 5.749 1.00 . A A . 19 LYS O 1 1 2 802 1 1 20 VAL C C 1.691 4.380 3.408 1.00 . A A . 20 VAL C 1 1 2 803 1 1 20 VAL CA C 2.794 3.325 3.384 1.00 . A A . 20 VAL CA 1 1 2 804 1 1 20 VAL CB C 3.632 3.428 2.093 1.00 . A A . 20 VAL CB 1 1 2 805 1 1 20 VAL CG1 C 4.038 4.862 1.799 1.00 . A A . 20 VAL CG1 1 1 2 806 1 1 20 VAL CG2 C 4.863 2.540 2.197 1.00 . A A . 20 VAL CG2 1 1 2 807 1 1 20 VAL H H 1.983 1.513 2.695 1.00 . A A . 20 VAL H 1 1 2 808 1 1 20 VAL HA H 3.450 3.487 4.227 1.00 . A A . 20 VAL HA 1 1 2 809 1 1 20 VAL HB H 3.032 3.071 1.273 1.00 . A A . 20 VAL HB 1 1 2 810 1 1 20 VAL HG11 H 3.193 5.399 1.404 1.00 . A A . 20 VAL HG11 1 1 2 811 1 1 20 VAL HG12 H 4.837 4.866 1.072 1.00 . A A . 20 VAL HG12 1 1 2 812 1 1 20 VAL HG13 H 4.375 5.335 2.709 1.00 . A A . 20 VAL HG13 1 1 2 813 1 1 20 VAL HG21 H 4.605 1.532 1.907 1.00 . A A . 20 VAL HG21 1 1 2 814 1 1 20 VAL HG22 H 5.225 2.540 3.215 1.00 . A A . 20 VAL HG22 1 1 2 815 1 1 20 VAL HG23 H 5.635 2.916 1.541 1.00 . A A . 20 VAL HG23 1 1 2 816 1 1 20 VAL N N 2.229 1.999 3.508 1.00 . A A . 20 VAL N 1 1 2 817 1 1 20 VAL O O 1.965 5.581 3.430 1.00 . A A . 20 VAL O 1 1 2 818 1 1 21 GLY C C -2.009 4.111 3.570 1.00 . A A . 21 GLY C 1 1 2 819 1 1 21 GLY CA C -0.686 4.840 3.462 1.00 . A A . 21 GLY CA 1 1 2 820 1 1 21 GLY H H 0.278 2.953 3.430 1.00 . A A . 21 GLY H 1 1 2 821 1 1 21 GLY HA2 H -0.576 5.496 4.313 1.00 . A A . 21 GLY HA2 1 1 2 822 1 1 21 GLY HA3 H -0.686 5.434 2.560 1.00 . A A . 21 GLY HA3 1 1 2 823 1 1 21 GLY N N 0.440 3.924 3.426 1.00 . A A . 21 GLY N 1 1 2 824 1 1 21 GLY O O -2.063 2.999 4.094 1.00 . A A . 21 GLY O 1 1 2 825 1 1 22 SER C C -5.230 4.468 1.920 1.00 . A A . 22 SER C 1 1 2 826 1 1 22 SER CA C -4.399 4.120 3.148 1.00 . A A . 22 SER CA 1 1 2 827 1 1 22 SER CB C -5.113 4.585 4.413 1.00 . A A . 22 SER CB 1 1 2 828 1 1 22 SER H H -2.979 5.617 2.679 1.00 . A A . 22 SER H 1 1 2 829 1 1 22 SER HA H -4.280 3.050 3.191 1.00 . A A . 22 SER HA 1 1 2 830 1 1 22 SER HB2 H -5.549 5.556 4.241 1.00 . A A . 22 SER HB2 1 1 2 831 1 1 22 SER HB3 H -5.889 3.879 4.663 1.00 . A A . 22 SER HB3 1 1 2 832 1 1 22 SER HG H -3.507 5.300 5.279 1.00 . A A . 22 SER HG 1 1 2 833 1 1 22 SER N N -3.078 4.726 3.082 1.00 . A A . 22 SER N 1 1 2 834 1 1 22 SER O O -5.260 5.617 1.477 1.00 . A A . 22 SER O 1 1 2 835 1 1 22 SER OG O -4.206 4.670 5.501 1.00 . A A . 22 SER OG 1 1 2 836 1 1 23 CYS C C -8.194 3.636 0.632 1.00 . A A . 23 CYS C 1 1 2 837 1 1 23 CYS CA C -6.737 3.618 0.204 1.00 . A A . 23 CYS CA 1 1 2 838 1 1 23 CYS CB C -6.505 2.455 -0.757 1.00 . A A . 23 CYS CB 1 1 2 839 1 1 23 CYS H H -5.819 2.575 1.790 1.00 . A A . 23 CYS H 1 1 2 840 1 1 23 CYS HA H -6.488 4.549 -0.282 1.00 . A A . 23 CYS HA 1 1 2 841 1 1 23 CYS HB2 H -5.477 2.142 -0.694 1.00 . A A . 23 CYS HB2 1 1 2 842 1 1 23 CYS HB3 H -7.143 1.630 -0.465 1.00 . A A . 23 CYS HB3 1 1 2 843 1 1 23 CYS N N -5.894 3.459 1.381 1.00 . A A . 23 CYS N 1 1 2 844 1 1 23 CYS O O -9.019 4.368 0.085 1.00 . A A . 23 CYS O 1 1 2 845 1 1 23 CYS SG S -6.861 2.819 -2.503 1.00 . A A . 23 CYS SG 1 1 2 846 1 1 24 PHE C C -9.706 1.898 3.476 1.00 . A A . 24 PHE C 1 1 2 847 1 1 24 PHE CA C -9.819 2.681 2.177 1.00 . A A . 24 PHE CA 1 1 2 848 1 1 24 PHE CB C -10.745 1.960 1.191 1.00 . A A . 24 PHE CB 1 1 2 849 1 1 24 PHE CD1 C -12.751 3.430 1.540 1.00 . A A . 24 PHE CD1 1 1 2 850 1 1 24 PHE CD2 C -13.045 1.066 1.656 1.00 . A A . 24 PHE CD2 1 1 2 851 1 1 24 PHE CE1 C -14.097 3.613 1.789 1.00 . A A . 24 PHE CE1 1 1 2 852 1 1 24 PHE CE2 C -14.392 1.244 1.906 1.00 . A A . 24 PHE CE2 1 1 2 853 1 1 24 PHE CG C -12.209 2.155 1.471 1.00 . A A . 24 PHE CG 1 1 2 854 1 1 24 PHE CZ C -14.919 2.518 1.972 1.00 . A A . 24 PHE CZ 1 1 2 855 1 1 24 PHE H H -7.770 2.266 2.007 1.00 . A A . 24 PHE H 1 1 2 856 1 1 24 PHE HA H -10.203 3.670 2.386 1.00 . A A . 24 PHE HA 1 1 2 857 1 1 24 PHE HB2 H -10.549 2.323 0.194 1.00 . A A . 24 PHE HB2 1 1 2 858 1 1 24 PHE HB3 H -10.538 0.900 1.227 1.00 . A A . 24 PHE HB3 1 1 2 859 1 1 24 PHE HD1 H -12.110 4.287 1.396 1.00 . A A . 24 PHE HD1 1 1 2 860 1 1 24 PHE HD2 H -12.634 0.069 1.606 1.00 . A A . 24 PHE HD2 1 1 2 861 1 1 24 PHE HE1 H -14.507 4.611 1.840 1.00 . A A . 24 PHE HE1 1 1 2 862 1 1 24 PHE HE2 H -15.033 0.387 2.049 1.00 . A A . 24 PHE HE2 1 1 2 863 1 1 24 PHE HZ H -15.971 2.658 2.166 1.00 . A A . 24 PHE HZ 1 1 2 864 1 1 24 PHE N N -8.486 2.812 1.623 1.00 . A A . 24 PHE N 1 1 2 865 1 1 24 PHE O O -8.704 1.212 3.689 1.00 . A A . 24 PHE O 1 1 2 866 1 1 25 GLY C C -10.099 -0.102 5.476 1.00 . A A . 25 GLY C 1 1 2 867 1 1 25 GLY CA C -10.654 1.304 5.612 1.00 . A A . 25 GLY CA 1 1 2 868 1 1 25 GLY H H -11.469 2.578 4.129 1.00 . A A . 25 GLY H 1 1 2 869 1 1 25 GLY HA2 H -10.031 1.861 6.296 1.00 . A A . 25 GLY HA2 1 1 2 870 1 1 25 GLY HA3 H -11.652 1.247 6.017 1.00 . A A . 25 GLY HA3 1 1 2 871 1 1 25 GLY N N -10.701 2.007 4.343 1.00 . A A . 25 GLY N 1 1 2 872 1 1 25 GLY O O -9.217 -0.510 6.237 1.00 . A A . 25 GLY O 1 1 2 873 1 1 26 PHE C C -9.283 -2.262 3.018 1.00 . A A . 26 PHE C 1 1 2 874 1 1 26 PHE CA C -10.171 -2.206 4.258 1.00 . A A . 26 PHE CA 1 1 2 875 1 1 26 PHE CB C -11.389 -3.123 4.090 1.00 . A A . 26 PHE CB 1 1 2 876 1 1 26 PHE CD1 C -10.135 -5.180 4.806 1.00 . A A . 26 PHE CD1 1 1 2 877 1 1 26 PHE CD2 C -11.637 -5.352 2.960 1.00 . A A . 26 PHE CD2 1 1 2 878 1 1 26 PHE CE1 C -9.820 -6.519 4.678 1.00 . A A . 26 PHE CE1 1 1 2 879 1 1 26 PHE CE2 C -11.325 -6.692 2.829 1.00 . A A . 26 PHE CE2 1 1 2 880 1 1 26 PHE CG C -11.046 -4.581 3.949 1.00 . A A . 26 PHE CG 1 1 2 881 1 1 26 PHE CZ C -10.415 -7.276 3.689 1.00 . A A . 26 PHE CZ 1 1 2 882 1 1 26 PHE H H -11.307 -0.456 3.931 1.00 . A A . 26 PHE H 1 1 2 883 1 1 26 PHE HA H -9.599 -2.532 5.112 1.00 . A A . 26 PHE HA 1 1 2 884 1 1 26 PHE HB2 H -12.029 -3.018 4.953 1.00 . A A . 26 PHE HB2 1 1 2 885 1 1 26 PHE HB3 H -11.936 -2.822 3.208 1.00 . A A . 26 PHE HB3 1 1 2 886 1 1 26 PHE HD1 H -9.668 -4.590 5.581 1.00 . A A . 26 PHE HD1 1 1 2 887 1 1 26 PHE HD2 H -12.347 -4.897 2.286 1.00 . A A . 26 PHE HD2 1 1 2 888 1 1 26 PHE HE1 H -9.108 -6.973 5.351 1.00 . A A . 26 PHE HE1 1 1 2 889 1 1 26 PHE HE2 H -11.792 -7.282 2.054 1.00 . A A . 26 PHE HE2 1 1 2 890 1 1 26 PHE HZ H -10.169 -8.322 3.587 1.00 . A A . 26 PHE HZ 1 1 2 891 1 1 26 PHE N N -10.610 -0.840 4.504 1.00 . A A . 26 PHE N 1 1 2 892 1 1 26 PHE O O -9.377 -3.187 2.210 1.00 . A A . 26 PHE O 1 1 2 893 1 1 27 ARG C C -6.306 -0.312 2.036 1.00 . A A . 27 ARG C 1 1 2 894 1 1 27 ARG CA C -7.513 -1.191 1.730 1.00 . A A . 27 ARG CA 1 1 2 895 1 1 27 ARG CB C -8.215 -0.642 0.486 1.00 . A A . 27 ARG CB 1 1 2 896 1 1 27 ARG CD C -9.802 -1.038 -1.388 1.00 . A A . 27 ARG CD 1 1 2 897 1 1 27 ARG CG C -9.393 -1.460 0.012 1.00 . A A . 27 ARG CG 1 1 2 898 1 1 27 ARG CZ C -11.540 -2.753 -1.750 1.00 . A A . 27 ARG CZ 1 1 2 899 1 1 27 ARG H H -8.392 -0.553 3.549 1.00 . A A . 27 ARG H 1 1 2 900 1 1 27 ARG HA H -7.166 -2.191 1.521 1.00 . A A . 27 ARG HA 1 1 2 901 1 1 27 ARG HB2 H -8.565 0.356 0.695 1.00 . A A . 27 ARG HB2 1 1 2 902 1 1 27 ARG HB3 H -7.499 -0.598 -0.318 1.00 . A A . 27 ARG HB3 1 1 2 903 1 1 27 ARG HD2 H -9.766 0.039 -1.450 1.00 . A A . 27 ARG HD2 1 1 2 904 1 1 27 ARG HD3 H -9.100 -1.459 -2.093 1.00 . A A . 27 ARG HD3 1 1 2 905 1 1 27 ARG HE H -11.789 -0.782 -1.984 1.00 . A A . 27 ARG HE 1 1 2 906 1 1 27 ARG HG2 H -9.111 -2.499 0.000 1.00 . A A . 27 ARG HG2 1 1 2 907 1 1 27 ARG HG3 H -10.224 -1.310 0.685 1.00 . A A . 27 ARG HG3 1 1 2 908 1 1 27 ARG HH11 H -9.762 -3.513 -1.153 1.00 . A A . 27 ARG HH11 1 1 2 909 1 1 27 ARG HH12 H -11.008 -4.679 -1.421 1.00 . A A . 27 ARG HH12 1 1 2 910 1 1 27 ARG HH21 H -13.420 -2.321 -2.358 1.00 . A A . 27 ARG HH21 1 1 2 911 1 1 27 ARG HH22 H -13.089 -4.006 -2.114 1.00 . A A . 27 ARG HH22 1 1 2 912 1 1 27 ARG N N -8.419 -1.262 2.871 1.00 . A A . 27 ARG N 1 1 2 913 1 1 27 ARG NE N -11.143 -1.482 -1.736 1.00 . A A . 27 ARG NE 1 1 2 914 1 1 27 ARG NH1 N -10.700 -3.725 -1.417 1.00 . A A . 27 ARG NH1 1 1 2 915 1 1 27 ARG NH2 N -12.782 -3.051 -2.102 1.00 . A A . 27 ARG NH2 1 1 2 916 1 1 27 ARG O O -6.042 0.668 1.335 1.00 . A A . 27 ARG O 1 1 2 917 1 1 28 SER C C -3.364 0.057 2.299 1.00 . A A . 28 SER C 1 1 2 918 1 1 28 SER CA C -4.387 0.088 3.439 1.00 . A A . 28 SER CA 1 1 2 919 1 1 28 SER CB C -3.788 -0.510 4.707 1.00 . A A . 28 SER CB 1 1 2 920 1 1 28 SER H H -5.817 -1.456 3.589 1.00 . A A . 28 SER H 1 1 2 921 1 1 28 SER HA H -4.680 1.109 3.629 1.00 . A A . 28 SER HA 1 1 2 922 1 1 28 SER HB2 H -3.462 -1.518 4.507 1.00 . A A . 28 SER HB2 1 1 2 923 1 1 28 SER HB3 H -2.948 0.084 5.019 1.00 . A A . 28 SER HB3 1 1 2 924 1 1 28 SER HG H -4.863 -1.451 6.052 1.00 . A A . 28 SER HG 1 1 2 925 1 1 28 SER N N -5.570 -0.663 3.067 1.00 . A A . 28 SER N 1 1 2 926 1 1 28 SER O O -2.954 -1.014 1.855 1.00 . A A . 28 SER O 1 1 2 927 1 1 28 SER OG O -4.747 -0.538 5.754 1.00 . A A . 28 SER OG 1 1 2 928 1 1 29 CYS C C -0.631 0.846 1.183 1.00 . A A . 29 CYS C 1 1 2 929 1 1 29 CYS CA C -2.008 1.318 0.727 1.00 . A A . 29 CYS CA 1 1 2 930 1 1 29 CYS CB C -1.945 2.752 0.200 1.00 . A A . 29 CYS CB 1 1 2 931 1 1 29 CYS H H -3.333 2.046 2.192 1.00 . A A . 29 CYS H 1 1 2 932 1 1 29 CYS HA H -2.349 0.671 -0.065 1.00 . A A . 29 CYS HA 1 1 2 933 1 1 29 CYS HB2 H -1.640 3.411 0.999 1.00 . A A . 29 CYS HB2 1 1 2 934 1 1 29 CYS HB3 H -1.226 2.803 -0.602 1.00 . A A . 29 CYS HB3 1 1 2 935 1 1 29 CYS N N -2.968 1.227 1.816 1.00 . A A . 29 CYS N 1 1 2 936 1 1 29 CYS O O -0.047 1.392 2.125 1.00 . A A . 29 CYS O 1 1 2 937 1 1 29 CYS SG S -3.541 3.354 -0.441 1.00 . A A . 29 CYS SG 1 1 2 938 1 1 30 CYS C C 2.170 -0.461 -0.276 1.00 . A A . 30 CYS C 1 1 2 939 1 1 30 CYS CA C 1.152 -0.770 0.821 1.00 . A A . 30 CYS CA 1 1 2 940 1 1 30 CYS CB C 0.979 -2.279 1.000 1.00 . A A . 30 CYS CB 1 1 2 941 1 1 30 CYS H H -0.663 -0.568 -0.214 1.00 . A A . 30 CYS H 1 1 2 942 1 1 30 CYS HA H 1.503 -0.349 1.746 1.00 . A A . 30 CYS HA 1 1 2 943 1 1 30 CYS HB2 H 1.945 -2.737 1.099 1.00 . A A . 30 CYS HB2 1 1 2 944 1 1 30 CYS HB3 H 0.409 -2.461 1.898 1.00 . A A . 30 CYS HB3 1 1 2 945 1 1 30 CYS N N -0.136 -0.180 0.514 1.00 . A A . 30 CYS N 1 1 2 946 1 1 30 CYS O O 1.840 -0.460 -1.465 1.00 . A A . 30 CYS O 1 1 2 947 1 1 30 CYS SG S 0.109 -3.093 -0.383 1.00 . A A . 30 CYS SG 1 1 2 948 1 1 31 LYS C C 5.772 -0.521 -0.294 1.00 . A A . 31 LYS C 1 1 2 949 1 1 31 LYS CA C 4.483 0.111 -0.791 1.00 . A A . 31 LYS CA 1 1 2 950 1 1 31 LYS CB C 4.659 1.627 -0.940 1.00 . A A . 31 LYS CB 1 1 2 951 1 1 31 LYS CD C 5.491 1.637 -3.311 1.00 . A A . 31 LYS CD 1 1 2 952 1 1 31 LYS CE C 4.272 2.368 -3.825 1.00 . A A . 31 LYS CE 1 1 2 953 1 1 31 LYS CG C 5.783 2.034 -1.879 1.00 . A A . 31 LYS CG 1 1 2 954 1 1 31 LYS H H 3.601 -0.218 1.095 1.00 . A A . 31 LYS H 1 1 2 955 1 1 31 LYS HA H 4.233 -0.314 -1.751 1.00 . A A . 31 LYS HA 1 1 2 956 1 1 31 LYS HB2 H 3.742 2.048 -1.315 1.00 . A A . 31 LYS HB2 1 1 2 957 1 1 31 LYS HB3 H 4.863 2.047 0.026 1.00 . A A . 31 LYS HB3 1 1 2 958 1 1 31 LYS HD2 H 6.341 1.890 -3.927 1.00 . A A . 31 LYS HD2 1 1 2 959 1 1 31 LYS HD3 H 5.310 0.574 -3.354 1.00 . A A . 31 LYS HD3 1 1 2 960 1 1 31 LYS HE2 H 3.437 2.125 -3.190 1.00 . A A . 31 LYS HE2 1 1 2 961 1 1 31 LYS HE3 H 4.465 3.427 -3.769 1.00 . A A . 31 LYS HE3 1 1 2 962 1 1 31 LYS HG2 H 5.903 3.105 -1.834 1.00 . A A . 31 LYS HG2 1 1 2 963 1 1 31 LYS HG3 H 6.691 1.558 -1.564 1.00 . A A . 31 LYS HG3 1 1 2 964 1 1 31 LYS HZ1 H 3.689 0.993 -5.285 1.00 . A A . 31 LYS HZ1 1 1 2 965 1 1 31 LYS HZ2 H 4.766 2.168 -5.841 1.00 . A A . 31 LYS HZ2 1 1 2 966 1 1 31 LYS HZ3 H 3.150 2.566 -5.575 1.00 . A A . 31 LYS HZ3 1 1 2 967 1 1 31 LYS N N 3.403 -0.199 0.134 1.00 . A A . 31 LYS N 1 1 2 968 1 1 31 LYS NZ N 3.946 2.000 -5.228 1.00 . A A . 31 LYS NZ 1 1 2 969 1 1 31 LYS O O 5.920 -0.795 0.899 1.00 . A A . 31 LYS O 1 1 2 970 1 1 32 TRP C C 8.616 -0.671 0.305 1.00 . A A . 32 TRP C 1 1 2 971 1 1 32 TRP CA C 7.956 -1.399 -0.866 1.00 . A A . 32 TRP CA 1 1 2 972 1 1 32 TRP CB C 8.894 -1.414 -2.075 1.00 . A A . 32 TRP CB 1 1 2 973 1 1 32 TRP CD1 C 7.347 -1.483 -4.116 1.00 . A A . 32 TRP CD1 1 1 2 974 1 1 32 TRP CD2 C 8.548 -3.347 -3.816 1.00 . A A . 32 TRP CD2 1 1 2 975 1 1 32 TRP CE2 C 7.744 -3.510 -4.959 1.00 . A A . 32 TRP CE2 1 1 2 976 1 1 32 TRP CE3 C 9.390 -4.395 -3.431 1.00 . A A . 32 TRP CE3 1 1 2 977 1 1 32 TRP CG C 8.283 -2.039 -3.293 1.00 . A A . 32 TRP CG 1 1 2 978 1 1 32 TRP CH2 C 8.588 -5.684 -5.319 1.00 . A A . 32 TRP CH2 1 1 2 979 1 1 32 TRP CZ2 C 7.756 -4.676 -5.719 1.00 . A A . 32 TRP CZ2 1 1 2 980 1 1 32 TRP CZ3 C 9.400 -5.552 -4.187 1.00 . A A . 32 TRP CZ3 1 1 2 981 1 1 32 TRP H H 6.500 -0.549 -2.143 1.00 . A A . 32 TRP H 1 1 2 982 1 1 32 TRP HA H 7.749 -2.416 -0.571 1.00 . A A . 32 TRP HA 1 1 2 983 1 1 32 TRP HB2 H 9.168 -0.399 -2.323 1.00 . A A . 32 TRP HB2 1 1 2 984 1 1 32 TRP HB3 H 9.782 -1.972 -1.822 1.00 . A A . 32 TRP HB3 1 1 2 985 1 1 32 TRP HD1 H 6.936 -0.494 -3.987 1.00 . A A . 32 TRP HD1 1 1 2 986 1 1 32 TRP HE1 H 6.371 -2.184 -5.840 1.00 . A A . 32 TRP HE1 1 1 2 987 1 1 32 TRP HE3 H 10.023 -4.312 -2.561 1.00 . A A . 32 TRP HE3 1 1 2 988 1 1 32 TRP HH2 H 8.628 -6.607 -5.879 1.00 . A A . 32 TRP HH2 1 1 2 989 1 1 32 TRP HZ2 H 7.136 -4.793 -6.596 1.00 . A A . 32 TRP HZ2 1 1 2 990 1 1 32 TRP HZ3 H 10.042 -6.373 -3.904 1.00 . A A . 32 TRP HZ3 1 1 2 991 1 1 32 TRP N N 6.687 -0.776 -1.210 1.00 . A A . 32 TRP N 1 1 2 992 1 1 32 TRP NE1 N 7.022 -2.358 -5.121 1.00 . A A . 32 TRP NE1 1 1 2 993 1 1 32 TRP O O 8.613 0.561 0.366 1.00 . A A . 32 TRP O 1 1 2 994 1 1 33 PRO C C 10.779 0.297 2.062 1.00 . A A . 33 PRO C 1 1 2 995 1 1 33 PRO CA C 9.855 -0.857 2.428 1.00 . A A . 33 PRO CA 1 1 2 996 1 1 33 PRO CB C 10.656 -2.032 2.984 1.00 . A A . 33 PRO CB 1 1 2 997 1 1 33 PRO CD C 9.241 -2.903 1.257 1.00 . A A . 33 PRO CD 1 1 2 998 1 1 33 PRO CG C 9.884 -3.238 2.578 1.00 . A A . 33 PRO CG 1 1 2 999 1 1 33 PRO HA H 9.139 -0.524 3.163 1.00 . A A . 33 PRO HA 1 1 2 1000 1 1 33 PRO HB2 H 11.648 -2.032 2.555 1.00 . A A . 33 PRO HB2 1 1 2 1001 1 1 33 PRO HB3 H 10.723 -1.949 4.058 1.00 . A A . 33 PRO HB3 1 1 2 1002 1 1 33 PRO HD2 H 9.846 -3.269 0.440 1.00 . A A . 33 PRO HD2 1 1 2 1003 1 1 33 PRO HD3 H 8.247 -3.321 1.207 1.00 . A A . 33 PRO HD3 1 1 2 1004 1 1 33 PRO HG2 H 10.551 -4.081 2.467 1.00 . A A . 33 PRO HG2 1 1 2 1005 1 1 33 PRO HG3 H 9.127 -3.455 3.317 1.00 . A A . 33 PRO HG3 1 1 2 1006 1 1 33 PRO N N 9.192 -1.427 1.254 1.00 . A A . 33 PRO N 1 1 2 1007 1 1 33 PRO O O 11.102 1.142 2.900 1.00 . A A . 33 PRO O 1 1 2 1008 1 1 34 TRP C C 11.555 2.728 0.721 1.00 . A A . 34 TRP C 1 1 2 1009 1 1 34 TRP CA C 12.091 1.362 0.315 1.00 . A A . 34 TRP CA 1 1 2 1010 1 1 34 TRP CB C 12.216 1.280 -1.209 1.00 . A A . 34 TRP CB 1 1 2 1011 1 1 34 TRP CD1 C 11.742 -0.499 -2.992 1.00 . A A . 34 TRP CD1 1 1 2 1012 1 1 34 TRP CD2 C 12.532 -1.325 -1.068 1.00 . A A . 34 TRP CD2 1 1 2 1013 1 1 34 TRP CE2 C 12.302 -2.393 -1.954 1.00 . A A . 34 TRP CE2 1 1 2 1014 1 1 34 TRP CE3 C 13.035 -1.604 0.204 1.00 . A A . 34 TRP CE3 1 1 2 1015 1 1 34 TRP CG C 12.158 -0.120 -1.749 1.00 . A A . 34 TRP CG 1 1 2 1016 1 1 34 TRP CH2 C 13.046 -3.961 -0.354 1.00 . A A . 34 TRP CH2 1 1 2 1017 1 1 34 TRP CZ2 C 12.555 -3.717 -1.606 1.00 . A A . 34 TRP CZ2 1 1 2 1018 1 1 34 TRP CZ3 C 13.287 -2.918 0.548 1.00 . A A . 34 TRP CZ3 1 1 2 1019 1 1 34 TRP H H 10.907 -0.382 0.193 1.00 . A A . 34 TRP H 1 1 2 1020 1 1 34 TRP HA H 13.063 1.215 0.760 1.00 . A A . 34 TRP HA 1 1 2 1021 1 1 34 TRP HB2 H 11.416 1.845 -1.663 1.00 . A A . 34 TRP HB2 1 1 2 1022 1 1 34 TRP HB3 H 13.162 1.706 -1.501 1.00 . A A . 34 TRP HB3 1 1 2 1023 1 1 34 TRP HD1 H 11.395 0.186 -3.752 1.00 . A A . 34 TRP HD1 1 1 2 1024 1 1 34 TRP HE1 H 11.567 -2.376 -3.920 1.00 . A A . 34 TRP HE1 1 1 2 1025 1 1 34 TRP HE3 H 13.230 -0.811 0.910 1.00 . A A . 34 TRP HE3 1 1 2 1026 1 1 34 TRP HH2 H 13.257 -4.973 -0.043 1.00 . A A . 34 TRP HH2 1 1 2 1027 1 1 34 TRP HZ2 H 12.375 -4.530 -2.291 1.00 . A A . 34 TRP HZ2 1 1 2 1028 1 1 34 TRP HZ3 H 13.674 -3.152 1.528 1.00 . A A . 34 TRP HZ3 1 1 2 1029 1 1 34 TRP N N 11.202 0.321 0.807 1.00 . A A . 34 TRP N 1 1 2 1030 1 1 34 TRP NE1 N 11.817 -1.864 -3.120 1.00 . A A . 34 TRP NE1 1 1 2 1031 1 1 34 TRP O O 12.297 3.589 1.196 1.00 . A A . 34 TRP O 1 1 2 1032 1 1 35 ASN C C 9.617 4.369 2.402 1.00 . A A . 35 ASN C 1 1 2 1033 1 1 35 ASN CA C 9.594 4.159 0.895 1.00 . A A . 35 ASN CA 1 1 2 1034 1 1 35 ASN CB C 8.152 4.157 0.385 1.00 . A A . 35 ASN CB 1 1 2 1035 1 1 35 ASN CG C 8.074 4.106 -1.128 1.00 . A A . 35 ASN CG 1 1 2 1036 1 1 35 ASN H H 9.719 2.175 0.170 1.00 . A A . 35 ASN H 1 1 2 1037 1 1 35 ASN HA H 10.134 4.966 0.422 1.00 . A A . 35 ASN HA 1 1 2 1038 1 1 35 ASN HB2 H 7.638 3.294 0.781 1.00 . A A . 35 ASN HB2 1 1 2 1039 1 1 35 ASN HB3 H 7.655 5.053 0.723 1.00 . A A . 35 ASN HB3 1 1 2 1040 1 1 35 ASN HD21 H 6.973 5.756 -1.153 1.00 . A A . 35 ASN HD21 1 1 2 1041 1 1 35 ASN HD22 H 7.317 5.057 -2.698 1.00 . A A . 35 ASN HD22 1 1 2 1042 1 1 35 ASN N N 10.255 2.908 0.543 1.00 . A A . 35 ASN N 1 1 2 1043 1 1 35 ASN ND2 N 7.387 5.069 -1.719 1.00 . A A . 35 ASN ND2 1 1 2 1044 1 1 35 ASN O O 9.931 5.458 2.885 1.00 . A A . 35 ASN O 1 1 2 1045 1 1 35 ASN OD1 O 8.625 3.203 -1.763 1.00 . A A . 35 ASN OD1 1 1 2 1046 1 1 36 ALA C C 8.075 4.147 5.110 1.00 . A A . 36 ALA C 1 1 2 1047 1 1 36 ALA CA C 9.272 3.353 4.594 1.00 . A A . 36 ALA CA 1 1 2 1048 1 1 36 ALA CB C 10.572 3.934 5.136 1.00 . A A . 36 ALA CB 1 1 2 1049 1 1 36 ALA H H 9.060 2.477 2.684 1.00 . A A . 36 ALA H 1 1 2 1050 1 1 36 ALA HA H 9.190 2.336 4.949 1.00 . A A . 36 ALA HA 1 1 2 1051 1 1 36 ALA HB1 H 10.732 3.579 6.144 1.00 . A A . 36 ALA HB1 1 1 2 1052 1 1 36 ALA HB2 H 10.512 5.012 5.141 1.00 . A A . 36 ALA HB2 1 1 2 1053 1 1 36 ALA HB3 H 11.395 3.622 4.510 1.00 . A A . 36 ALA HB3 1 1 2 1054 1 1 36 ALA N N 9.292 3.312 3.136 1.00 . A A . 36 ALA N 1 1 2 1055 1 1 36 ALA O O 7.560 3.801 6.192 1.00 . A A . 36 ALA O 1 1 2 1056 1 1 36 ALA OXT O 7.650 5.111 4.439 1.00 . A A . 36 ALA OXT 1 1 3 1057 1 1 1 LEU C C 5.336 6.944 0.109 1.00 . A A . 1 LEU C 1 1 3 1058 1 1 1 LEU CA C 6.727 6.395 -0.178 1.00 . A A . 1 LEU CA 1 1 3 1059 1 1 1 LEU CB C 6.657 5.211 -1.151 1.00 . A A . 1 LEU CB 1 1 3 1060 1 1 1 LEU CD1 C 7.914 3.612 -2.637 1.00 . A A . 1 LEU CD1 1 1 3 1061 1 1 1 LEU CD2 C 9.135 5.486 -1.517 1.00 . A A . 1 LEU CD2 1 1 3 1062 1 1 1 LEU CG C 7.990 4.489 -1.395 1.00 . A A . 1 LEU CG 1 1 3 1063 1 1 1 LEU H1 H 8.331 6.344 1.142 1.00 . A A . 1 LEU H1 1 1 3 1064 1 1 1 LEU H2 H 7.416 4.922 1.117 1.00 . A A . 1 LEU H2 1 1 3 1065 1 1 1 LEU H3 H 6.817 6.295 1.891 1.00 . A A . 1 LEU H3 1 1 3 1066 1 1 1 LEU HA H 7.327 7.179 -0.614 1.00 . A A . 1 LEU HA 1 1 3 1067 1 1 1 LEU HB2 H 5.949 4.494 -0.761 1.00 . A A . 1 LEU HB2 1 1 3 1068 1 1 1 LEU HB3 H 6.290 5.574 -2.100 1.00 . A A . 1 LEU HB3 1 1 3 1069 1 1 1 LEU HD11 H 8.862 3.637 -3.154 1.00 . A A . 1 LEU HD11 1 1 3 1070 1 1 1 LEU HD12 H 7.138 3.978 -3.293 1.00 . A A . 1 LEU HD12 1 1 3 1071 1 1 1 LEU HD13 H 7.691 2.596 -2.347 1.00 . A A . 1 LEU HD13 1 1 3 1072 1 1 1 LEU HD21 H 8.825 6.320 -2.129 1.00 . A A . 1 LEU HD21 1 1 3 1073 1 1 1 LEU HD22 H 9.986 5.002 -1.973 1.00 . A A . 1 LEU HD22 1 1 3 1074 1 1 1 LEU HD23 H 9.408 5.842 -0.535 1.00 . A A . 1 LEU HD23 1 1 3 1075 1 1 1 LEU HG H 8.195 3.844 -0.552 1.00 . A A . 1 LEU HG 1 1 3 1076 1 1 1 LEU N N 7.369 5.956 1.077 1.00 . A A . 1 LEU N 1 1 3 1077 1 1 1 LEU O O 4.620 6.423 0.965 1.00 . A A . 1 LEU O 1 1 3 1078 1 1 2 PHE C C 2.563 7.818 -1.064 1.00 . A A . 2 PHE C 1 1 3 1079 1 1 2 PHE CA C 3.671 8.645 -0.425 1.00 . A A . 2 PHE CA 1 1 3 1080 1 1 2 PHE CB C 3.697 10.053 -1.030 1.00 . A A . 2 PHE CB 1 1 3 1081 1 1 2 PHE CD1 C 6.022 10.652 -0.264 1.00 . A A . 2 PHE CD1 1 1 3 1082 1 1 2 PHE CD2 C 4.256 12.204 0.137 1.00 . A A . 2 PHE CD2 1 1 3 1083 1 1 2 PHE CE1 C 6.918 11.511 0.338 1.00 . A A . 2 PHE CE1 1 1 3 1084 1 1 2 PHE CE2 C 5.151 13.067 0.740 1.00 . A A . 2 PHE CE2 1 1 3 1085 1 1 2 PHE CG C 4.679 10.986 -0.371 1.00 . A A . 2 PHE CG 1 1 3 1086 1 1 2 PHE CZ C 6.482 12.719 0.842 1.00 . A A . 2 PHE CZ 1 1 3 1087 1 1 2 PHE H H 5.592 8.368 -1.260 1.00 . A A . 2 PHE H 1 1 3 1088 1 1 2 PHE HA H 3.479 8.723 0.633 1.00 . A A . 2 PHE HA 1 1 3 1089 1 1 2 PHE HB2 H 3.963 9.980 -2.074 1.00 . A A . 2 PHE HB2 1 1 3 1090 1 1 2 PHE HB3 H 2.713 10.490 -0.945 1.00 . A A . 2 PHE HB3 1 1 3 1091 1 1 2 PHE HD1 H 6.369 9.711 -0.657 1.00 . A A . 2 PHE HD1 1 1 3 1092 1 1 2 PHE HD2 H 3.215 12.476 0.061 1.00 . A A . 2 PHE HD2 1 1 3 1093 1 1 2 PHE HE1 H 7.960 11.237 0.416 1.00 . A A . 2 PHE HE1 1 1 3 1094 1 1 2 PHE HE2 H 4.808 14.012 1.131 1.00 . A A . 2 PHE HE2 1 1 3 1095 1 1 2 PHE HZ H 7.183 13.392 1.313 1.00 . A A . 2 PHE HZ 1 1 3 1096 1 1 2 PHE N N 4.967 8.001 -0.598 1.00 . A A . 2 PHE N 1 1 3 1097 1 1 2 PHE O O 1.812 8.316 -1.902 1.00 . A A . 2 PHE O 1 1 3 1098 1 1 3 CYS C C 1.774 5.291 -2.675 1.00 . A A . 3 CYS C 1 1 3 1099 1 1 3 CYS CA C 1.470 5.634 -1.216 1.00 . A A . 3 CYS CA 1 1 3 1100 1 1 3 CYS CB C 0.061 6.234 -1.089 1.00 . A A . 3 CYS CB 1 1 3 1101 1 1 3 CYS H H 3.113 6.214 -0.013 1.00 . A A . 3 CYS H 1 1 3 1102 1 1 3 CYS HA H 1.515 4.727 -0.635 1.00 . A A . 3 CYS HA 1 1 3 1103 1 1 3 CYS HB2 H -0.114 6.509 -0.060 1.00 . A A . 3 CYS HB2 1 1 3 1104 1 1 3 CYS HB3 H -0.006 7.114 -1.709 1.00 . A A . 3 CYS HB3 1 1 3 1105 1 1 3 CYS N N 2.477 6.549 -0.678 1.00 . A A . 3 CYS N 1 1 3 1106 1 1 3 CYS O O 1.490 4.189 -3.137 1.00 . A A . 3 CYS O 1 1 3 1107 1 1 3 CYS SG S -1.277 5.100 -1.592 1.00 . A A . 3 CYS SG 1 1 3 1108 1 1 4 LYS C C 3.841 5.057 -4.960 1.00 . A A . 4 LYS C 1 1 3 1109 1 1 4 LYS CA C 2.717 6.077 -4.783 1.00 . A A . 4 LYS CA 1 1 3 1110 1 1 4 LYS CB C 3.155 7.431 -5.345 1.00 . A A . 4 LYS CB 1 1 3 1111 1 1 4 LYS CD C 4.283 8.712 -7.193 1.00 . A A . 4 LYS CD 1 1 3 1112 1 1 4 LYS CE C 5.482 9.095 -6.332 1.00 . A A . 4 LYS CE 1 1 3 1113 1 1 4 LYS CG C 3.694 7.375 -6.767 1.00 . A A . 4 LYS CG 1 1 3 1114 1 1 4 LYS H H 2.557 7.091 -2.949 1.00 . A A . 4 LYS H 1 1 3 1115 1 1 4 LYS HA H 1.843 5.738 -5.319 1.00 . A A . 4 LYS HA 1 1 3 1116 1 1 4 LYS HB2 H 2.307 8.100 -5.334 1.00 . A A . 4 LYS HB2 1 1 3 1117 1 1 4 LYS HB3 H 3.925 7.835 -4.707 1.00 . A A . 4 LYS HB3 1 1 3 1118 1 1 4 LYS HD2 H 4.600 8.642 -8.222 1.00 . A A . 4 LYS HD2 1 1 3 1119 1 1 4 LYS HD3 H 3.524 9.474 -7.098 1.00 . A A . 4 LYS HD3 1 1 3 1120 1 1 4 LYS HE2 H 5.157 9.207 -5.310 1.00 . A A . 4 LYS HE2 1 1 3 1121 1 1 4 LYS HE3 H 6.216 8.306 -6.391 1.00 . A A . 4 LYS HE3 1 1 3 1122 1 1 4 LYS HG2 H 4.465 6.622 -6.821 1.00 . A A . 4 LYS HG2 1 1 3 1123 1 1 4 LYS HG3 H 2.887 7.118 -7.438 1.00 . A A . 4 LYS HG3 1 1 3 1124 1 1 4 LYS HZ1 H 5.481 10.859 -7.445 1.00 . A A . 4 LYS HZ1 1 1 3 1125 1 1 4 LYS HZ2 H 7.012 10.175 -7.245 1.00 . A A . 4 LYS HZ2 1 1 3 1126 1 1 4 LYS HZ3 H 6.276 10.987 -5.962 1.00 . A A . 4 LYS HZ3 1 1 3 1127 1 1 4 LYS N N 2.356 6.242 -3.383 1.00 . A A . 4 LYS N 1 1 3 1128 1 1 4 LYS NZ N 6.105 10.367 -6.777 1.00 . A A . 4 LYS NZ 1 1 3 1129 1 1 4 LYS O O 4.659 4.856 -4.060 1.00 . A A . 4 LYS O 1 1 3 1130 1 1 5 GLY C C 4.639 2.081 -5.934 1.00 . A A . 5 GLY C 1 1 3 1131 1 1 5 GLY CA C 4.923 3.476 -6.448 1.00 . A A . 5 GLY CA 1 1 3 1132 1 1 5 GLY H H 3.216 4.665 -6.815 1.00 . A A . 5 GLY H 1 1 3 1133 1 1 5 GLY HA2 H 5.034 3.428 -7.519 1.00 . A A . 5 GLY HA2 1 1 3 1134 1 1 5 GLY HA3 H 5.855 3.820 -6.021 1.00 . A A . 5 GLY HA3 1 1 3 1135 1 1 5 GLY N N 3.886 4.441 -6.137 1.00 . A A . 5 GLY N 1 1 3 1136 1 1 5 GLY O O 5.518 1.440 -5.353 1.00 . A A . 5 GLY O 1 1 3 1137 1 1 6 GLY C C 1.606 -0.053 -5.928 1.00 . A A . 6 GLY C 1 1 3 1138 1 1 6 GLY CA C 3.073 0.259 -5.720 1.00 . A A . 6 GLY CA 1 1 3 1139 1 1 6 GLY H H 2.767 2.141 -6.641 1.00 . A A . 6 GLY H 1 1 3 1140 1 1 6 GLY HA2 H 3.661 -0.455 -6.276 1.00 . A A . 6 GLY HA2 1 1 3 1141 1 1 6 GLY HA3 H 3.308 0.162 -4.673 1.00 . A A . 6 GLY HA3 1 1 3 1142 1 1 6 GLY N N 3.425 1.595 -6.160 1.00 . A A . 6 GLY N 1 1 3 1143 1 1 6 GLY O O 1.078 0.121 -7.027 1.00 . A A . 6 GLY O 1 1 3 1144 1 1 7 SER C C -1.116 -0.709 -3.578 1.00 . A A . 7 SER C 1 1 3 1145 1 1 7 SER CA C -0.462 -0.872 -4.949 1.00 . A A . 7 SER CA 1 1 3 1146 1 1 7 SER CB C -0.615 -2.312 -5.449 1.00 . A A . 7 SER CB 1 1 3 1147 1 1 7 SER H H 1.426 -0.655 -4.027 1.00 . A A . 7 SER H 1 1 3 1148 1 1 7 SER HA H -0.938 -0.202 -5.647 1.00 . A A . 7 SER HA 1 1 3 1149 1 1 7 SER HB2 H -0.084 -2.423 -6.382 1.00 . A A . 7 SER HB2 1 1 3 1150 1 1 7 SER HB3 H -0.198 -2.986 -4.717 1.00 . A A . 7 SER HB3 1 1 3 1151 1 1 7 SER HG H -2.356 -2.057 -6.318 1.00 . A A . 7 SER HG 1 1 3 1152 1 1 7 SER N N 0.948 -0.524 -4.876 1.00 . A A . 7 SER N 1 1 3 1153 1 1 7 SER O O -0.423 -0.615 -2.560 1.00 . A A . 7 SER O 1 1 3 1154 1 1 7 SER OG O -1.976 -2.652 -5.658 1.00 . A A . 7 SER OG 1 1 3 1155 1 1 8 CYS C C -3.569 -1.887 -1.780 1.00 . A A . 8 CYS C 1 1 3 1156 1 1 8 CYS CA C -3.190 -0.512 -2.322 1.00 . A A . 8 CYS CA 1 1 3 1157 1 1 8 CYS CB C -4.440 0.341 -2.548 1.00 . A A . 8 CYS CB 1 1 3 1158 1 1 8 CYS H H -2.931 -0.736 -4.408 1.00 . A A . 8 CYS H 1 1 3 1159 1 1 8 CYS HA H -2.554 -0.019 -1.603 1.00 . A A . 8 CYS HA 1 1 3 1160 1 1 8 CYS HB2 H -5.187 -0.248 -3.050 1.00 . A A . 8 CYS HB2 1 1 3 1161 1 1 8 CYS HB3 H -4.825 0.659 -1.590 1.00 . A A . 8 CYS HB3 1 1 3 1162 1 1 8 CYS N N -2.441 -0.662 -3.561 1.00 . A A . 8 CYS N 1 1 3 1163 1 1 8 CYS O O -3.709 -2.846 -2.544 1.00 . A A . 8 CYS O 1 1 3 1164 1 1 8 CYS SG S -4.144 1.836 -3.547 1.00 . A A . 8 CYS SG 1 1 3 1165 1 1 9 HIS C C -5.488 -3.683 -0.106 1.00 . A A . 9 HIS C 1 1 3 1166 1 1 9 HIS CA C -4.054 -3.249 0.180 1.00 . A A . 9 HIS CA 1 1 3 1167 1 1 9 HIS CB C -3.823 -3.170 1.695 1.00 . A A . 9 HIS CB 1 1 3 1168 1 1 9 HIS CD2 C -1.391 -3.126 2.604 1.00 . A A . 9 HIS CD2 1 1 3 1169 1 1 9 HIS CE1 C -1.013 -5.281 2.596 1.00 . A A . 9 HIS CE1 1 1 3 1170 1 1 9 HIS CG C -2.508 -3.732 2.141 1.00 . A A . 9 HIS CG 1 1 3 1171 1 1 9 HIS H H -3.574 -1.193 0.086 1.00 . A A . 9 HIS H 1 1 3 1172 1 1 9 HIS HA H -3.395 -3.998 -0.222 1.00 . A A . 9 HIS HA 1 1 3 1173 1 1 9 HIS HB2 H -3.865 -2.142 2.006 1.00 . A A . 9 HIS HB2 1 1 3 1174 1 1 9 HIS HB3 H -4.601 -3.721 2.199 1.00 . A A . 9 HIS HB3 1 1 3 1175 1 1 9 HIS HD1 H -2.848 -5.788 1.848 1.00 . A A . 9 HIS HD1 1 1 3 1176 1 1 9 HIS HD2 H -1.230 -2.062 2.702 1.00 . A A . 9 HIS HD2 1 1 3 1177 1 1 9 HIS HE1 H -0.531 -6.241 2.707 1.00 . A A . 9 HIS HE1 1 1 3 1178 1 1 9 HIS HE2 H 0.343 -3.989 3.413 1.00 . A A . 9 HIS HE2 1 1 3 1179 1 1 9 HIS N N -3.713 -1.987 -0.468 1.00 . A A . 9 HIS N 1 1 3 1180 1 1 9 HIS ND1 N -2.235 -5.080 2.144 1.00 . A A . 9 HIS ND1 1 1 3 1181 1 1 9 HIS NE2 N -0.477 -4.112 2.883 1.00 . A A . 9 HIS NE2 1 1 3 1182 1 1 9 HIS O O -6.299 -3.798 0.812 1.00 . A A . 9 HIS O 1 1 3 1183 1 1 10 PHE C C -7.289 -5.855 -1.231 1.00 . A A . 10 PHE C 1 1 3 1184 1 1 10 PHE CA C -7.114 -4.432 -1.751 1.00 . A A . 10 PHE CA 1 1 3 1185 1 1 10 PHE CB C -7.303 -4.408 -3.273 1.00 . A A . 10 PHE CB 1 1 3 1186 1 1 10 PHE CD1 C -6.507 -2.185 -4.142 1.00 . A A . 10 PHE CD1 1 1 3 1187 1 1 10 PHE CD2 C -8.849 -2.623 -4.112 1.00 . A A . 10 PHE CD2 1 1 3 1188 1 1 10 PHE CE1 C -6.747 -0.935 -4.686 1.00 . A A . 10 PHE CE1 1 1 3 1189 1 1 10 PHE CE2 C -9.093 -1.378 -4.655 1.00 . A A . 10 PHE CE2 1 1 3 1190 1 1 10 PHE CG C -7.555 -3.041 -3.848 1.00 . A A . 10 PHE CG 1 1 3 1191 1 1 10 PHE CZ C -8.041 -0.533 -4.942 1.00 . A A . 10 PHE CZ 1 1 3 1192 1 1 10 PHE H H -5.093 -3.878 -2.054 1.00 . A A . 10 PHE H 1 1 3 1193 1 1 10 PHE HA H -7.849 -3.792 -1.287 1.00 . A A . 10 PHE HA 1 1 3 1194 1 1 10 PHE HB2 H -6.412 -4.800 -3.741 1.00 . A A . 10 PHE HB2 1 1 3 1195 1 1 10 PHE HB3 H -8.141 -5.036 -3.533 1.00 . A A . 10 PHE HB3 1 1 3 1196 1 1 10 PHE HD1 H -5.494 -2.499 -3.944 1.00 . A A . 10 PHE HD1 1 1 3 1197 1 1 10 PHE HD2 H -9.674 -3.281 -3.886 1.00 . A A . 10 PHE HD2 1 1 3 1198 1 1 10 PHE HE1 H -5.924 -0.276 -4.910 1.00 . A A . 10 PHE HE1 1 1 3 1199 1 1 10 PHE HE2 H -10.106 -1.067 -4.856 1.00 . A A . 10 PHE HE2 1 1 3 1200 1 1 10 PHE HZ H -8.231 0.442 -5.366 1.00 . A A . 10 PHE HZ 1 1 3 1201 1 1 10 PHE N N -5.788 -3.959 -1.370 1.00 . A A . 10 PHE N 1 1 3 1202 1 1 10 PHE O O -7.305 -6.815 -2.004 1.00 . A A . 10 PHE O 1 1 3 1203 1 1 11 GLY C C -6.121 -7.944 0.825 1.00 . A A . 11 GLY C 1 1 3 1204 1 1 11 GLY CA C -7.484 -7.302 0.686 1.00 . A A . 11 GLY CA 1 1 3 1205 1 1 11 GLY H H -7.314 -5.199 0.652 1.00 . A A . 11 GLY H 1 1 3 1206 1 1 11 GLY HA2 H -7.933 -7.203 1.663 1.00 . A A . 11 GLY HA2 1 1 3 1207 1 1 11 GLY HA3 H -8.108 -7.930 0.067 1.00 . A A . 11 GLY HA3 1 1 3 1208 1 1 11 GLY N N -7.369 -5.994 0.082 1.00 . A A . 11 GLY N 1 1 3 1209 1 1 11 GLY O O -5.775 -8.476 1.880 1.00 . A A . 11 GLY O 1 1 3 1210 1 1 12 GLY C C -2.972 -7.348 -0.603 1.00 . A A . 12 GLY C 1 1 3 1211 1 1 12 GLY CA C -3.994 -8.406 -0.241 1.00 . A A . 12 GLY CA 1 1 3 1212 1 1 12 GLY H H -5.669 -7.401 -1.041 1.00 . A A . 12 GLY H 1 1 3 1213 1 1 12 GLY HA2 H -3.768 -8.796 0.741 1.00 . A A . 12 GLY HA2 1 1 3 1214 1 1 12 GLY HA3 H -3.941 -9.206 -0.961 1.00 . A A . 12 GLY HA3 1 1 3 1215 1 1 12 GLY N N -5.337 -7.861 -0.241 1.00 . A A . 12 GLY N 1 1 3 1216 1 1 12 GLY O O -3.046 -6.227 -0.104 1.00 . A A . 12 GLY O 1 1 3 1217 1 1 13 CYS C C 0.077 -7.522 -2.726 1.00 . A A . 13 CYS C 1 1 3 1218 1 1 13 CYS CA C -0.987 -6.779 -1.922 1.00 . A A . 13 CYS CA 1 1 3 1219 1 1 13 CYS CB C -0.340 -6.036 -0.746 1.00 . A A . 13 CYS CB 1 1 3 1220 1 1 13 CYS H H -2.040 -8.614 -1.832 1.00 . A A . 13 CYS H 1 1 3 1221 1 1 13 CYS HA H -1.459 -6.056 -2.570 1.00 . A A . 13 CYS HA 1 1 3 1222 1 1 13 CYS HB2 H -0.342 -6.677 0.122 1.00 . A A . 13 CYS HB2 1 1 3 1223 1 1 13 CYS HB3 H 0.680 -5.789 -1.002 1.00 . A A . 13 CYS HB3 1 1 3 1224 1 1 13 CYS N N -2.031 -7.701 -1.472 1.00 . A A . 13 CYS N 1 1 3 1225 1 1 13 CYS O O 0.288 -8.722 -2.536 1.00 . A A . 13 CYS O 1 1 3 1226 1 1 13 CYS SG S -1.190 -4.487 -0.291 1.00 . A A . 13 CYS SG 1 1 3 1227 1 1 14 PRO C C 2.753 -8.309 -3.726 1.00 . A A . 14 PRO C 1 1 3 1228 1 1 14 PRO CA C 1.798 -7.399 -4.495 1.00 . A A . 14 PRO CA 1 1 3 1229 1 1 14 PRO CB C 2.538 -6.170 -5.021 1.00 . A A . 14 PRO CB 1 1 3 1230 1 1 14 PRO CD C 0.552 -5.382 -3.933 1.00 . A A . 14 PRO CD 1 1 3 1231 1 1 14 PRO CG C 1.497 -5.106 -5.073 1.00 . A A . 14 PRO CG 1 1 3 1232 1 1 14 PRO HA H 1.372 -7.946 -5.321 1.00 . A A . 14 PRO HA 1 1 3 1233 1 1 14 PRO HB2 H 3.338 -5.910 -4.344 1.00 . A A . 14 PRO HB2 1 1 3 1234 1 1 14 PRO HB3 H 2.939 -6.378 -6.001 1.00 . A A . 14 PRO HB3 1 1 3 1235 1 1 14 PRO HD2 H 0.810 -4.778 -3.077 1.00 . A A . 14 PRO HD2 1 1 3 1236 1 1 14 PRO HD3 H -0.467 -5.193 -4.237 1.00 . A A . 14 PRO HD3 1 1 3 1237 1 1 14 PRO HG2 H 1.957 -4.137 -4.950 1.00 . A A . 14 PRO HG2 1 1 3 1238 1 1 14 PRO HG3 H 0.970 -5.153 -6.015 1.00 . A A . 14 PRO HG3 1 1 3 1239 1 1 14 PRO N N 0.756 -6.817 -3.644 1.00 . A A . 14 PRO N 1 1 3 1240 1 1 14 PRO O O 3.271 -9.287 -4.272 1.00 . A A . 14 PRO O 1 1 3 1241 1 1 15 SER C C 3.881 -8.210 -0.197 1.00 . A A . 15 SER C 1 1 3 1242 1 1 15 SER CA C 3.885 -8.754 -1.622 1.00 . A A . 15 SER CA 1 1 3 1243 1 1 15 SER CB C 5.307 -8.720 -2.199 1.00 . A A . 15 SER CB 1 1 3 1244 1 1 15 SER H H 2.553 -7.182 -2.095 1.00 . A A . 15 SER H 1 1 3 1245 1 1 15 SER HA H 3.533 -9.773 -1.612 1.00 . A A . 15 SER HA 1 1 3 1246 1 1 15 SER HB2 H 5.308 -9.177 -3.176 1.00 . A A . 15 SER HB2 1 1 3 1247 1 1 15 SER HB3 H 5.634 -7.694 -2.283 1.00 . A A . 15 SER HB3 1 1 3 1248 1 1 15 SER HG H 6.493 -8.847 -0.633 1.00 . A A . 15 SER HG 1 1 3 1249 1 1 15 SER N N 2.989 -7.976 -2.465 1.00 . A A . 15 SER N 1 1 3 1250 1 1 15 SER O O 4.937 -7.978 0.382 1.00 . A A . 15 SER O 1 1 3 1251 1 1 15 SER OG O 6.224 -9.423 -1.371 1.00 . A A . 15 SER OG 1 1 3 1252 1 1 16 HIS C C 3.107 -6.071 1.792 1.00 . A A . 16 HIS C 1 1 3 1253 1 1 16 HIS CA C 2.533 -7.477 1.711 1.00 . A A . 16 HIS CA 1 1 3 1254 1 1 16 HIS CB C 3.212 -8.390 2.734 1.00 . A A . 16 HIS CB 1 1 3 1255 1 1 16 HIS CD2 C 2.949 -10.962 2.593 1.00 . A A . 16 HIS CD2 1 1 3 1256 1 1 16 HIS CE1 C 0.917 -11.116 3.391 1.00 . A A . 16 HIS CE1 1 1 3 1257 1 1 16 HIS CG C 2.534 -9.710 2.892 1.00 . A A . 16 HIS CG 1 1 3 1258 1 1 16 HIS H H 1.884 -8.211 -0.165 1.00 . A A . 16 HIS H 1 1 3 1259 1 1 16 HIS HA H 1.474 -7.431 1.928 1.00 . A A . 16 HIS HA 1 1 3 1260 1 1 16 HIS HB2 H 4.230 -8.574 2.427 1.00 . A A . 16 HIS HB2 1 1 3 1261 1 1 16 HIS HB3 H 3.216 -7.902 3.696 1.00 . A A . 16 HIS HB3 1 1 3 1262 1 1 16 HIS HD1 H 0.690 -9.109 3.716 1.00 . A A . 16 HIS HD1 1 1 3 1263 1 1 16 HIS HD2 H 3.912 -11.236 2.185 1.00 . A A . 16 HIS HD2 1 1 3 1264 1 1 16 HIS HE1 H -0.028 -11.515 3.722 1.00 . A A . 16 HIS HE1 1 1 3 1265 1 1 16 HIS HE2 H 2.008 -12.794 2.979 1.00 . A A . 16 HIS HE2 1 1 3 1266 1 1 16 HIS N N 2.687 -8.005 0.355 1.00 . A A . 16 HIS N 1 1 3 1267 1 1 16 HIS ND1 N 1.257 -9.842 3.391 1.00 . A A . 16 HIS ND1 1 1 3 1268 1 1 16 HIS NE2 N 1.926 -11.818 2.912 1.00 . A A . 16 HIS NE2 1 1 3 1269 1 1 16 HIS O O 2.365 -5.091 1.888 1.00 . A A . 16 HIS O 1 1 3 1270 1 1 17 LEU C C 4.953 -4.043 3.116 1.00 . A A . 17 LEU C 1 1 3 1271 1 1 17 LEU CA C 5.115 -4.703 1.751 1.00 . A A . 17 LEU CA 1 1 3 1272 1 1 17 LEU CB C 4.570 -3.805 0.638 1.00 . A A . 17 LEU CB 1 1 3 1273 1 1 17 LEU CD1 C 3.592 -3.601 -1.667 1.00 . A A . 17 LEU CD1 1 1 3 1274 1 1 17 LEU CD2 C 5.635 -4.993 -1.302 1.00 . A A . 17 LEU CD2 1 1 3 1275 1 1 17 LEU CG C 4.323 -4.515 -0.699 1.00 . A A . 17 LEU CG 1 1 3 1276 1 1 17 LEU H H 4.954 -6.798 1.628 1.00 . A A . 17 LEU H 1 1 3 1277 1 1 17 LEU HA H 6.161 -4.885 1.575 1.00 . A A . 17 LEU HA 1 1 3 1278 1 1 17 LEU HB2 H 3.643 -3.369 0.974 1.00 . A A . 17 LEU HB2 1 1 3 1279 1 1 17 LEU HB3 H 5.279 -3.012 0.470 1.00 . A A . 17 LEU HB3 1 1 3 1280 1 1 17 LEU HD11 H 2.602 -3.392 -1.285 1.00 . A A . 17 LEU HD11 1 1 3 1281 1 1 17 LEU HD12 H 3.512 -4.085 -2.628 1.00 . A A . 17 LEU HD12 1 1 3 1282 1 1 17 LEU HD13 H 4.140 -2.677 -1.772 1.00 . A A . 17 LEU HD13 1 1 3 1283 1 1 17 LEU HD21 H 6.110 -5.690 -0.627 1.00 . A A . 17 LEU HD21 1 1 3 1284 1 1 17 LEU HD22 H 6.286 -4.147 -1.464 1.00 . A A . 17 LEU HD22 1 1 3 1285 1 1 17 LEU HD23 H 5.440 -5.482 -2.245 1.00 . A A . 17 LEU HD23 1 1 3 1286 1 1 17 LEU HG H 3.700 -5.381 -0.528 1.00 . A A . 17 LEU HG 1 1 3 1287 1 1 17 LEU N N 4.426 -5.979 1.720 1.00 . A A . 17 LEU N 1 1 3 1288 1 1 17 LEU O O 5.120 -4.695 4.149 1.00 . A A . 17 LEU O 1 1 3 1289 1 1 18 ILE C C 3.387 -0.937 4.144 1.00 . A A . 18 ILE C 1 1 3 1290 1 1 18 ILE CA C 4.451 -2.010 4.345 1.00 . A A . 18 ILE CA 1 1 3 1291 1 1 18 ILE CB C 5.785 -1.382 4.811 1.00 . A A . 18 ILE CB 1 1 3 1292 1 1 18 ILE CD1 C 5.183 0.885 5.824 1.00 . A A . 18 ILE CD1 1 1 3 1293 1 1 18 ILE CG1 C 5.595 -0.547 6.083 1.00 . A A . 18 ILE CG1 1 1 3 1294 1 1 18 ILE CG2 C 6.400 -0.540 3.701 1.00 . A A . 18 ILE CG2 1 1 3 1295 1 1 18 ILE H H 4.520 -2.300 2.261 1.00 . A A . 18 ILE H 1 1 3 1296 1 1 18 ILE HA H 4.112 -2.697 5.109 1.00 . A A . 18 ILE HA 1 1 3 1297 1 1 18 ILE HB H 6.470 -2.187 5.022 1.00 . A A . 18 ILE HB 1 1 3 1298 1 1 18 ILE HD11 H 4.711 0.958 4.857 1.00 . A A . 18 ILE HD11 1 1 3 1299 1 1 18 ILE HD12 H 6.059 1.517 5.845 1.00 . A A . 18 ILE HD12 1 1 3 1300 1 1 18 ILE HD13 H 4.491 1.205 6.588 1.00 . A A . 18 ILE HD13 1 1 3 1301 1 1 18 ILE HG12 H 4.830 -1.004 6.690 1.00 . A A . 18 ILE HG12 1 1 3 1302 1 1 18 ILE HG13 H 6.523 -0.531 6.636 1.00 . A A . 18 ILE HG13 1 1 3 1303 1 1 18 ILE HG21 H 5.631 0.047 3.223 1.00 . A A . 18 ILE HG21 1 1 3 1304 1 1 18 ILE HG22 H 6.860 -1.190 2.973 1.00 . A A . 18 ILE HG22 1 1 3 1305 1 1 18 ILE HG23 H 7.147 0.119 4.119 1.00 . A A . 18 ILE HG23 1 1 3 1306 1 1 18 ILE N N 4.633 -2.761 3.115 1.00 . A A . 18 ILE N 1 1 3 1307 1 1 18 ILE O O 3.324 -0.310 3.081 1.00 . A A . 18 ILE O 1 1 3 1308 1 1 19 LYS C C 1.990 1.639 4.904 1.00 . A A . 19 LYS C 1 1 3 1309 1 1 19 LYS CA C 1.456 0.220 5.074 1.00 . A A . 19 LYS CA 1 1 3 1310 1 1 19 LYS CB C 0.553 0.137 6.310 1.00 . A A . 19 LYS CB 1 1 3 1311 1 1 19 LYS CD C -1.495 0.985 7.510 1.00 . A A . 19 LYS CD 1 1 3 1312 1 1 19 LYS CE C -2.543 2.088 7.591 1.00 . A A . 19 LYS CE 1 1 3 1313 1 1 19 LYS CG C -0.567 1.172 6.320 1.00 . A A . 19 LYS CG 1 1 3 1314 1 1 19 LYS H H 2.629 -1.303 5.957 1.00 . A A . 19 LYS H 1 1 3 1315 1 1 19 LYS HA H 0.866 -0.025 4.204 1.00 . A A . 19 LYS HA 1 1 3 1316 1 1 19 LYS HB2 H 0.104 -0.846 6.345 1.00 . A A . 19 LYS HB2 1 1 3 1317 1 1 19 LYS HB3 H 1.154 0.279 7.194 1.00 . A A . 19 LYS HB3 1 1 3 1318 1 1 19 LYS HD2 H -1.996 0.034 7.414 1.00 . A A . 19 LYS HD2 1 1 3 1319 1 1 19 LYS HD3 H -0.906 0.993 8.414 1.00 . A A . 19 LYS HD3 1 1 3 1320 1 1 19 LYS HE2 H -3.110 1.959 8.500 1.00 . A A . 19 LYS HE2 1 1 3 1321 1 1 19 LYS HE3 H -2.036 3.042 7.617 1.00 . A A . 19 LYS HE3 1 1 3 1322 1 1 19 LYS HG2 H -0.132 2.158 6.371 1.00 . A A . 19 LYS HG2 1 1 3 1323 1 1 19 LYS HG3 H -1.137 1.080 5.410 1.00 . A A . 19 LYS HG3 1 1 3 1324 1 1 19 LYS HZ1 H -3.884 1.122 6.316 1.00 . A A . 19 LYS HZ1 1 1 3 1325 1 1 19 LYS HZ2 H -2.979 2.337 5.562 1.00 . A A . 19 LYS HZ2 1 1 3 1326 1 1 19 LYS HZ3 H -4.253 2.747 6.591 1.00 . A A . 19 LYS HZ3 1 1 3 1327 1 1 19 LYS N N 2.537 -0.753 5.148 1.00 . A A . 19 LYS N 1 1 3 1328 1 1 19 LYS NZ N -3.478 2.070 6.435 1.00 . A A . 19 LYS NZ 1 1 3 1329 1 1 19 LYS O O 2.046 2.423 5.855 1.00 . A A . 19 LYS O 1 1 3 1330 1 1 20 VAL C C 1.706 4.279 3.260 1.00 . A A . 20 VAL C 1 1 3 1331 1 1 20 VAL CA C 2.867 3.289 3.359 1.00 . A A . 20 VAL CA 1 1 3 1332 1 1 20 VAL CB C 3.652 3.278 2.032 1.00 . A A . 20 VAL CB 1 1 3 1333 1 1 20 VAL CG1 C 4.886 2.394 2.142 1.00 . A A . 20 VAL CG1 1 1 3 1334 1 1 20 VAL CG2 C 2.756 2.816 0.895 1.00 . A A . 20 VAL CG2 1 1 3 1335 1 1 20 VAL H H 2.283 1.298 2.970 1.00 . A A . 20 VAL H 1 1 3 1336 1 1 20 VAL HA H 3.532 3.601 4.146 1.00 . A A . 20 VAL HA 1 1 3 1337 1 1 20 VAL HB H 3.975 4.285 1.818 1.00 . A A . 20 VAL HB 1 1 3 1338 1 1 20 VAL HG11 H 5.660 2.773 1.491 1.00 . A A . 20 VAL HG11 1 1 3 1339 1 1 20 VAL HG12 H 4.634 1.384 1.852 1.00 . A A . 20 VAL HG12 1 1 3 1340 1 1 20 VAL HG13 H 5.241 2.396 3.162 1.00 . A A . 20 VAL HG13 1 1 3 1341 1 1 20 VAL HG21 H 3.066 3.291 -0.023 1.00 . A A . 20 VAL HG21 1 1 3 1342 1 1 20 VAL HG22 H 1.737 3.085 1.112 1.00 . A A . 20 VAL HG22 1 1 3 1343 1 1 20 VAL HG23 H 2.829 1.745 0.791 1.00 . A A . 20 VAL HG23 1 1 3 1344 1 1 20 VAL N N 2.364 1.967 3.683 1.00 . A A . 20 VAL N 1 1 3 1345 1 1 20 VAL O O 1.647 5.101 2.342 1.00 . A A . 20 VAL O 1 1 3 1346 1 1 21 GLY C C -1.645 4.315 3.805 1.00 . A A . 21 GLY C 1 1 3 1347 1 1 21 GLY CA C -0.384 5.050 4.211 1.00 . A A . 21 GLY CA 1 1 3 1348 1 1 21 GLY H H 0.872 3.499 4.899 1.00 . A A . 21 GLY H 1 1 3 1349 1 1 21 GLY HA2 H -0.515 5.449 5.205 1.00 . A A . 21 GLY HA2 1 1 3 1350 1 1 21 GLY HA3 H -0.217 5.866 3.525 1.00 . A A . 21 GLY HA3 1 1 3 1351 1 1 21 GLY N N 0.776 4.180 4.203 1.00 . A A . 21 GLY N 1 1 3 1352 1 1 21 GLY O O -1.825 3.145 4.164 1.00 . A A . 21 GLY O 1 1 3 1353 1 1 22 SER C C -4.352 5.154 1.426 1.00 . A A . 22 SER C 1 1 3 1354 1 1 22 SER CA C -3.763 4.382 2.603 1.00 . A A . 22 SER CA 1 1 3 1355 1 1 22 SER CB C -4.775 4.333 3.751 1.00 . A A . 22 SER CB 1 1 3 1356 1 1 22 SER H H -2.312 5.910 2.802 1.00 . A A . 22 SER H 1 1 3 1357 1 1 22 SER HA H -3.553 3.377 2.283 1.00 . A A . 22 SER HA 1 1 3 1358 1 1 22 SER HB2 H -5.146 5.326 3.940 1.00 . A A . 22 SER HB2 1 1 3 1359 1 1 22 SER HB3 H -5.597 3.689 3.474 1.00 . A A . 22 SER HB3 1 1 3 1360 1 1 22 SER HG H -3.899 4.575 5.486 1.00 . A A . 22 SER HG 1 1 3 1361 1 1 22 SER N N -2.514 4.984 3.057 1.00 . A A . 22 SER N 1 1 3 1362 1 1 22 SER O O -4.308 6.386 1.387 1.00 . A A . 22 SER O 1 1 3 1363 1 1 22 SER OG O -4.181 3.831 4.938 1.00 . A A . 22 SER OG 1 1 3 1364 1 1 23 CYS C C -6.970 5.352 -0.379 1.00 . A A . 23 CYS C 1 1 3 1365 1 1 23 CYS CA C -5.525 4.983 -0.706 1.00 . A A . 23 CYS CA 1 1 3 1366 1 1 23 CYS CB C -5.475 3.969 -1.852 1.00 . A A . 23 CYS CB 1 1 3 1367 1 1 23 CYS H H -4.902 3.441 0.585 1.00 . A A . 23 CYS H 1 1 3 1368 1 1 23 CYS HA H -4.981 5.875 -0.985 1.00 . A A . 23 CYS HA 1 1 3 1369 1 1 23 CYS HB2 H -6.126 3.136 -1.618 1.00 . A A . 23 CYS HB2 1 1 3 1370 1 1 23 CYS HB3 H -5.815 4.441 -2.759 1.00 . A A . 23 CYS HB3 1 1 3 1371 1 1 23 CYS N N -4.904 4.412 0.479 1.00 . A A . 23 CYS N 1 1 3 1372 1 1 23 CYS O O -7.261 5.774 0.739 1.00 . A A . 23 CYS O 1 1 3 1373 1 1 23 CYS SG S -3.815 3.290 -2.170 1.00 . A A . 23 CYS SG 1 1 3 1374 1 1 24 PHE C C -9.818 4.480 -0.049 1.00 . A A . 24 PHE C 1 1 3 1375 1 1 24 PHE CA C -9.284 5.455 -1.091 1.00 . A A . 24 PHE CA 1 1 3 1376 1 1 24 PHE CB C -10.086 5.352 -2.394 1.00 . A A . 24 PHE CB 1 1 3 1377 1 1 24 PHE CD1 C -12.009 6.625 -1.384 1.00 . A A . 24 PHE CD1 1 1 3 1378 1 1 24 PHE CD2 C -12.492 4.891 -2.950 1.00 . A A . 24 PHE CD2 1 1 3 1379 1 1 24 PHE CE1 C -13.361 6.877 -1.245 1.00 . A A . 24 PHE CE1 1 1 3 1380 1 1 24 PHE CE2 C -13.844 5.140 -2.813 1.00 . A A . 24 PHE CE2 1 1 3 1381 1 1 24 PHE CG C -11.559 5.629 -2.238 1.00 . A A . 24 PHE CG 1 1 3 1382 1 1 24 PHE CZ C -14.280 6.134 -1.960 1.00 . A A . 24 PHE CZ 1 1 3 1383 1 1 24 PHE H H -7.604 4.805 -2.199 1.00 . A A . 24 PHE H 1 1 3 1384 1 1 24 PHE HA H -9.355 6.461 -0.703 1.00 . A A . 24 PHE HA 1 1 3 1385 1 1 24 PHE HB2 H -9.694 6.064 -3.103 1.00 . A A . 24 PHE HB2 1 1 3 1386 1 1 24 PHE HB3 H -9.974 4.356 -2.797 1.00 . A A . 24 PHE HB3 1 1 3 1387 1 1 24 PHE HD1 H -11.294 7.207 -0.824 1.00 . A A . 24 PHE HD1 1 1 3 1388 1 1 24 PHE HD2 H -12.155 4.113 -3.618 1.00 . A A . 24 PHE HD2 1 1 3 1389 1 1 24 PHE HE1 H -13.700 7.656 -0.577 1.00 . A A . 24 PHE HE1 1 1 3 1390 1 1 24 PHE HE2 H -14.560 4.558 -3.375 1.00 . A A . 24 PHE HE2 1 1 3 1391 1 1 24 PHE HZ H -15.336 6.330 -1.852 1.00 . A A . 24 PHE HZ 1 1 3 1392 1 1 24 PHE N N -7.879 5.165 -1.329 1.00 . A A . 24 PHE N 1 1 3 1393 1 1 24 PHE O O -9.579 3.273 -0.138 1.00 . A A . 24 PHE O 1 1 3 1394 1 1 25 GLY C C -9.902 3.661 2.906 1.00 . A A . 25 GLY C 1 1 3 1395 1 1 25 GLY CA C -11.020 4.161 2.012 1.00 . A A . 25 GLY CA 1 1 3 1396 1 1 25 GLY H H -10.638 5.970 0.990 1.00 . A A . 25 GLY H 1 1 3 1397 1 1 25 GLY HA2 H -11.721 4.730 2.605 1.00 . A A . 25 GLY HA2 1 1 3 1398 1 1 25 GLY HA3 H -11.530 3.314 1.578 1.00 . A A . 25 GLY HA3 1 1 3 1399 1 1 25 GLY N N -10.504 5.001 0.952 1.00 . A A . 25 GLY N 1 1 3 1400 1 1 25 GLY O O -8.830 4.265 2.954 1.00 . A A . 25 GLY O 1 1 3 1401 1 1 26 PHE C C -8.101 1.175 3.726 1.00 . A A . 26 PHE C 1 1 3 1402 1 1 26 PHE CA C -9.126 2.004 4.497 1.00 . A A . 26 PHE CA 1 1 3 1403 1 1 26 PHE CB C -9.781 1.143 5.583 1.00 . A A . 26 PHE CB 1 1 3 1404 1 1 26 PHE CD1 C -11.572 2.790 6.228 1.00 . A A . 26 PHE CD1 1 1 3 1405 1 1 26 PHE CD2 C -10.267 1.794 7.957 1.00 . A A . 26 PHE CD2 1 1 3 1406 1 1 26 PHE CE1 C -12.283 3.504 7.174 1.00 . A A . 26 PHE CE1 1 1 3 1407 1 1 26 PHE CE2 C -10.975 2.505 8.907 1.00 . A A . 26 PHE CE2 1 1 3 1408 1 1 26 PHE CG C -10.556 1.927 6.608 1.00 . A A . 26 PHE CG 1 1 3 1409 1 1 26 PHE CZ C -11.984 3.361 8.514 1.00 . A A . 26 PHE CZ 1 1 3 1410 1 1 26 PHE H H -11.002 2.116 3.532 1.00 . A A . 26 PHE H 1 1 3 1411 1 1 26 PHE HA H -8.619 2.827 4.968 1.00 . A A . 26 PHE HA 1 1 3 1412 1 1 26 PHE HB2 H -10.463 0.451 5.116 1.00 . A A . 26 PHE HB2 1 1 3 1413 1 1 26 PHE HB3 H -9.013 0.587 6.100 1.00 . A A . 26 PHE HB3 1 1 3 1414 1 1 26 PHE HD1 H -11.809 2.905 5.181 1.00 . A A . 26 PHE HD1 1 1 3 1415 1 1 26 PHE HD2 H -9.477 1.125 8.266 1.00 . A A . 26 PHE HD2 1 1 3 1416 1 1 26 PHE HE1 H -13.072 4.173 6.865 1.00 . A A . 26 PHE HE1 1 1 3 1417 1 1 26 PHE HE2 H -10.740 2.390 9.954 1.00 . A A . 26 PHE HE2 1 1 3 1418 1 1 26 PHE HZ H -12.539 3.919 9.255 1.00 . A A . 26 PHE HZ 1 1 3 1419 1 1 26 PHE N N -10.135 2.562 3.608 1.00 . A A . 26 PHE N 1 1 3 1420 1 1 26 PHE O O -7.345 0.402 4.319 1.00 . A A . 26 PHE O 1 1 3 1421 1 1 27 ARG C C -5.693 0.986 1.889 1.00 . A A . 27 ARG C 1 1 3 1422 1 1 27 ARG CA C -7.132 0.600 1.573 1.00 . A A . 27 ARG CA 1 1 3 1423 1 1 27 ARG CB C -7.418 0.826 0.089 1.00 . A A . 27 ARG CB 1 1 3 1424 1 1 27 ARG CD C -8.854 0.255 -1.877 1.00 . A A . 27 ARG CD 1 1 3 1425 1 1 27 ARG CG C -8.760 0.293 -0.362 1.00 . A A . 27 ARG CG 1 1 3 1426 1 1 27 ARG CZ C -10.996 -0.959 -2.107 1.00 . A A . 27 ARG CZ 1 1 3 1427 1 1 27 ARG H H -8.691 1.973 1.993 1.00 . A A . 27 ARG H 1 1 3 1428 1 1 27 ARG HA H -7.259 -0.449 1.793 1.00 . A A . 27 ARG HA 1 1 3 1429 1 1 27 ARG HB2 H -7.393 1.886 -0.116 1.00 . A A . 27 ARG HB2 1 1 3 1430 1 1 27 ARG HB3 H -6.652 0.338 -0.491 1.00 . A A . 27 ARG HB3 1 1 3 1431 1 1 27 ARG HD2 H -8.444 1.173 -2.274 1.00 . A A . 27 ARG HD2 1 1 3 1432 1 1 27 ARG HD3 H -8.271 -0.581 -2.236 1.00 . A A . 27 ARG HD3 1 1 3 1433 1 1 27 ARG HE H -10.615 0.865 -2.837 1.00 . A A . 27 ARG HE 1 1 3 1434 1 1 27 ARG HG2 H -8.880 -0.706 0.020 1.00 . A A . 27 ARG HG2 1 1 3 1435 1 1 27 ARG HG3 H -9.542 0.927 0.025 1.00 . A A . 27 ARG HG3 1 1 3 1436 1 1 27 ARG HH11 H -9.573 -2.009 -1.115 1.00 . A A . 27 ARG HH11 1 1 3 1437 1 1 27 ARG HH12 H -11.099 -2.807 -1.281 1.00 . A A . 27 ARG HH12 1 1 3 1438 1 1 27 ARG HH21 H -12.618 -0.180 -3.031 1.00 . A A . 27 ARG HH21 1 1 3 1439 1 1 27 ARG HH22 H -12.836 -1.763 -2.357 1.00 . A A . 27 ARG HH22 1 1 3 1440 1 1 27 ARG N N -8.070 1.340 2.410 1.00 . A A . 27 ARG N 1 1 3 1441 1 1 27 ARG NE N -10.229 0.106 -2.339 1.00 . A A . 27 ARG NE 1 1 3 1442 1 1 27 ARG NH1 N -10.516 -2.007 -1.448 1.00 . A A . 27 ARG NH1 1 1 3 1443 1 1 27 ARG NH2 N -12.249 -0.970 -2.535 1.00 . A A . 27 ARG NH2 1 1 3 1444 1 1 27 ARG O O -5.099 1.821 1.210 1.00 . A A . 27 ARG O 1 1 3 1445 1 1 28 SER C C -2.824 0.571 2.136 1.00 . A A . 28 SER C 1 1 3 1446 1 1 28 SER CA C -3.774 0.634 3.330 1.00 . A A . 28 SER CA 1 1 3 1447 1 1 28 SER CB C -3.361 -0.389 4.387 1.00 . A A . 28 SER CB 1 1 3 1448 1 1 28 SER H H -5.669 -0.291 3.418 1.00 . A A . 28 SER H 1 1 3 1449 1 1 28 SER HA H -3.737 1.622 3.762 1.00 . A A . 28 SER HA 1 1 3 1450 1 1 28 SER HB2 H -3.358 -1.375 3.947 1.00 . A A . 28 SER HB2 1 1 3 1451 1 1 28 SER HB3 H -2.374 -0.155 4.750 1.00 . A A . 28 SER HB3 1 1 3 1452 1 1 28 SER HG H -4.844 -1.153 5.419 1.00 . A A . 28 SER HG 1 1 3 1453 1 1 28 SER N N -5.141 0.369 2.918 1.00 . A A . 28 SER N 1 1 3 1454 1 1 28 SER O O -2.767 -0.430 1.427 1.00 . A A . 28 SER O 1 1 3 1455 1 1 28 SER OG O -4.266 -0.378 5.477 1.00 . A A . 28 SER OG 1 1 3 1456 1 1 29 CYS C C 0.052 0.771 1.129 1.00 . A A . 29 CYS C 1 1 3 1457 1 1 29 CYS CA C -1.126 1.678 0.820 1.00 . A A . 29 CYS CA 1 1 3 1458 1 1 29 CYS CB C -0.631 3.110 0.599 1.00 . A A . 29 CYS CB 1 1 3 1459 1 1 29 CYS H H -2.142 2.402 2.522 1.00 . A A . 29 CYS H 1 1 3 1460 1 1 29 CYS HA H -1.623 1.327 -0.070 1.00 . A A . 29 CYS HA 1 1 3 1461 1 1 29 CYS HB2 H -0.168 3.463 1.507 1.00 . A A . 29 CYS HB2 1 1 3 1462 1 1 29 CYS HB3 H 0.099 3.110 -0.196 1.00 . A A . 29 CYS HB3 1 1 3 1463 1 1 29 CYS N N -2.071 1.634 1.921 1.00 . A A . 29 CYS N 1 1 3 1464 1 1 29 CYS O O 0.688 0.922 2.168 1.00 . A A . 29 CYS O 1 1 3 1465 1 1 29 CYS SG S -1.934 4.300 0.154 1.00 . A A . 29 CYS SG 1 1 3 1466 1 1 30 CYS C C 2.552 -0.853 -0.563 1.00 . A A . 30 CYS C 1 1 3 1467 1 1 30 CYS CA C 1.462 -1.074 0.469 1.00 . A A . 30 CYS CA 1 1 3 1468 1 1 30 CYS CB C 0.993 -2.530 0.458 1.00 . A A . 30 CYS CB 1 1 3 1469 1 1 30 CYS H H -0.187 -0.256 -0.577 1.00 . A A . 30 CYS H 1 1 3 1470 1 1 30 CYS HA H 1.869 -0.853 1.443 1.00 . A A . 30 CYS HA 1 1 3 1471 1 1 30 CYS HB2 H 1.852 -3.176 0.497 1.00 . A A . 30 CYS HB2 1 1 3 1472 1 1 30 CYS HB3 H 0.388 -2.704 1.329 1.00 . A A . 30 CYS HB3 1 1 3 1473 1 1 30 CYS N N 0.348 -0.168 0.244 1.00 . A A . 30 CYS N 1 1 3 1474 1 1 30 CYS O O 2.362 -1.114 -1.750 1.00 . A A . 30 CYS O 1 1 3 1475 1 1 30 CYS SG S 0.012 -3.013 -1.000 1.00 . A A . 30 CYS SG 1 1 3 1476 1 1 31 LYS C C 6.040 -0.862 -0.346 1.00 . A A . 31 LYS C 1 1 3 1477 1 1 31 LYS CA C 4.853 -0.124 -0.937 1.00 . A A . 31 LYS CA 1 1 3 1478 1 1 31 LYS CB C 5.162 1.381 -1.027 1.00 . A A . 31 LYS CB 1 1 3 1479 1 1 31 LYS CD C 3.604 2.493 -2.702 1.00 . A A . 31 LYS CD 1 1 3 1480 1 1 31 LYS CE C 2.542 1.436 -2.484 1.00 . A A . 31 LYS CE 1 1 3 1481 1 1 31 LYS CG C 5.009 1.968 -2.426 1.00 . A A . 31 LYS CG 1 1 3 1482 1 1 31 LYS H H 3.772 -0.203 0.874 1.00 . A A . 31 LYS H 1 1 3 1483 1 1 31 LYS HA H 4.648 -0.514 -1.923 1.00 . A A . 31 LYS HA 1 1 3 1484 1 1 31 LYS HB2 H 4.497 1.911 -0.368 1.00 . A A . 31 LYS HB2 1 1 3 1485 1 1 31 LYS HB3 H 6.181 1.550 -0.703 1.00 . A A . 31 LYS HB3 1 1 3 1486 1 1 31 LYS HD2 H 3.408 3.323 -2.042 1.00 . A A . 31 LYS HD2 1 1 3 1487 1 1 31 LYS HD3 H 3.556 2.830 -3.726 1.00 . A A . 31 LYS HD3 1 1 3 1488 1 1 31 LYS HE2 H 2.887 0.510 -2.910 1.00 . A A . 31 LYS HE2 1 1 3 1489 1 1 31 LYS HE3 H 2.393 1.314 -1.422 1.00 . A A . 31 LYS HE3 1 1 3 1490 1 1 31 LYS HG2 H 5.702 2.783 -2.535 1.00 . A A . 31 LYS HG2 1 1 3 1491 1 1 31 LYS HG3 H 5.243 1.202 -3.148 1.00 . A A . 31 LYS HG3 1 1 3 1492 1 1 31 LYS HZ1 H 0.593 0.994 -3.093 1.00 . A A . 31 LYS HZ1 1 1 3 1493 1 1 31 LYS HZ2 H 1.394 2.093 -4.099 1.00 . A A . 31 LYS HZ2 1 1 3 1494 1 1 31 LYS HZ3 H 0.808 2.593 -2.599 1.00 . A A . 31 LYS HZ3 1 1 3 1495 1 1 31 LYS N N 3.695 -0.378 -0.090 1.00 . A A . 31 LYS N 1 1 3 1496 1 1 31 LYS NZ N 1.245 1.802 -3.112 1.00 . A A . 31 LYS NZ 1 1 3 1497 1 1 31 LYS O O 6.121 -1.010 0.874 1.00 . A A . 31 LYS O 1 1 3 1498 1 1 32 TRP C C 8.667 -1.417 0.543 1.00 . A A . 32 TRP C 1 1 3 1499 1 1 32 TRP CA C 8.105 -2.074 -0.709 1.00 . A A . 32 TRP CA 1 1 3 1500 1 1 32 TRP CB C 9.193 -2.143 -1.777 1.00 . A A . 32 TRP CB 1 1 3 1501 1 1 32 TRP CD1 C 8.464 -2.216 -4.232 1.00 . A A . 32 TRP CD1 1 1 3 1502 1 1 32 TRP CD2 C 8.467 -4.207 -3.212 1.00 . A A . 32 TRP CD2 1 1 3 1503 1 1 32 TRP CE2 C 8.046 -4.388 -4.542 1.00 . A A . 32 TRP CE2 1 1 3 1504 1 1 32 TRP CE3 C 8.546 -5.321 -2.373 1.00 . A A . 32 TRP CE3 1 1 3 1505 1 1 32 TRP CG C 8.734 -2.811 -3.036 1.00 . A A . 32 TRP CG 1 1 3 1506 1 1 32 TRP CH2 C 7.792 -6.711 -4.208 1.00 . A A . 32 TRP CH2 1 1 3 1507 1 1 32 TRP CZ2 C 7.706 -5.637 -5.051 1.00 . A A . 32 TRP CZ2 1 1 3 1508 1 1 32 TRP CZ3 C 8.206 -6.561 -2.879 1.00 . A A . 32 TRP CZ3 1 1 3 1509 1 1 32 TRP H H 6.821 -1.204 -2.156 1.00 . A A . 32 TRP H 1 1 3 1510 1 1 32 TRP HA H 7.785 -3.074 -0.469 1.00 . A A . 32 TRP HA 1 1 3 1511 1 1 32 TRP HB2 H 9.516 -1.139 -2.018 1.00 . A A . 32 TRP HB2 1 1 3 1512 1 1 32 TRP HB3 H 10.034 -2.702 -1.390 1.00 . A A . 32 TRP HB3 1 1 3 1513 1 1 32 TRP HD1 H 8.568 -1.158 -4.422 1.00 . A A . 32 TRP HD1 1 1 3 1514 1 1 32 TRP HE1 H 7.806 -2.977 -6.078 1.00 . A A . 32 TRP HE1 1 1 3 1515 1 1 32 TRP HE3 H 8.865 -5.226 -1.345 1.00 . A A . 32 TRP HE3 1 1 3 1516 1 1 32 TRP HH2 H 7.535 -7.697 -4.561 1.00 . A A . 32 TRP HH2 1 1 3 1517 1 1 32 TRP HZ2 H 7.384 -5.769 -6.074 1.00 . A A . 32 TRP HZ2 1 1 3 1518 1 1 32 TRP HZ3 H 8.260 -7.434 -2.245 1.00 . A A . 32 TRP HZ3 1 1 3 1519 1 1 32 TRP N N 6.944 -1.339 -1.192 1.00 . A A . 32 TRP N 1 1 3 1520 1 1 32 TRP NE1 N 8.056 -3.158 -5.144 1.00 . A A . 32 TRP NE1 1 1 3 1521 1 1 32 TRP O O 8.823 -0.192 0.590 1.00 . A A . 32 TRP O 1 1 3 1522 1 1 33 PRO C C 10.882 -1.025 2.647 1.00 . A A . 33 PRO C 1 1 3 1523 1 1 33 PRO CA C 9.519 -1.687 2.833 1.00 . A A . 33 PRO CA 1 1 3 1524 1 1 33 PRO CB C 9.631 -2.917 3.743 1.00 . A A . 33 PRO CB 1 1 3 1525 1 1 33 PRO CD C 8.822 -3.673 1.619 1.00 . A A . 33 PRO CD 1 1 3 1526 1 1 33 PRO CG C 8.809 -3.976 3.089 1.00 . A A . 33 PRO CG 1 1 3 1527 1 1 33 PRO HA H 8.844 -0.973 3.279 1.00 . A A . 33 PRO HA 1 1 3 1528 1 1 33 PRO HB2 H 10.664 -3.211 3.822 1.00 . A A . 33 PRO HB2 1 1 3 1529 1 1 33 PRO HB3 H 9.250 -2.675 4.723 1.00 . A A . 33 PRO HB3 1 1 3 1530 1 1 33 PRO HD2 H 9.653 -4.164 1.138 1.00 . A A . 33 PRO HD2 1 1 3 1531 1 1 33 PRO HD3 H 7.891 -3.975 1.167 1.00 . A A . 33 PRO HD3 1 1 3 1532 1 1 33 PRO HG2 H 9.246 -4.946 3.275 1.00 . A A . 33 PRO HG2 1 1 3 1533 1 1 33 PRO HG3 H 7.799 -3.942 3.470 1.00 . A A . 33 PRO HG3 1 1 3 1534 1 1 33 PRO N N 8.978 -2.211 1.579 1.00 . A A . 33 PRO N 1 1 3 1535 1 1 33 PRO O O 11.619 -0.827 3.612 1.00 . A A . 33 PRO O 1 1 3 1536 1 1 34 TRP C C 12.308 1.497 1.535 1.00 . A A . 34 TRP C 1 1 3 1537 1 1 34 TRP CA C 12.441 0.042 1.109 1.00 . A A . 34 TRP CA 1 1 3 1538 1 1 34 TRP CB C 12.774 -0.050 -0.387 1.00 . A A . 34 TRP CB 1 1 3 1539 1 1 34 TRP CD1 C 14.684 -1.319 -1.496 1.00 . A A . 34 TRP CD1 1 1 3 1540 1 1 34 TRP CD2 C 13.200 -2.650 -0.478 1.00 . A A . 34 TRP CD2 1 1 3 1541 1 1 34 TRP CE2 C 14.208 -3.450 -1.049 1.00 . A A . 34 TRP CE2 1 1 3 1542 1 1 34 TRP CE3 C 12.158 -3.276 0.214 1.00 . A A . 34 TRP CE3 1 1 3 1543 1 1 34 TRP CG C 13.531 -1.284 -0.773 1.00 . A A . 34 TRP CG 1 1 3 1544 1 1 34 TRP CH2 C 13.174 -5.421 -0.271 1.00 . A A . 34 TRP CH2 1 1 3 1545 1 1 34 TRP CZ2 C 14.203 -4.837 -0.952 1.00 . A A . 34 TRP CZ2 1 1 3 1546 1 1 34 TRP CZ3 C 12.157 -4.655 0.308 1.00 . A A . 34 TRP CZ3 1 1 3 1547 1 1 34 TRP H H 10.556 -0.798 0.693 1.00 . A A . 34 TRP H 1 1 3 1548 1 1 34 TRP HA H 13.231 -0.423 1.682 1.00 . A A . 34 TRP HA 1 1 3 1549 1 1 34 TRP HB2 H 11.859 -0.040 -0.954 1.00 . A A . 34 TRP HB2 1 1 3 1550 1 1 34 TRP HB3 H 13.371 0.804 -0.667 1.00 . A A . 34 TRP HB3 1 1 3 1551 1 1 34 TRP HD1 H 15.185 -0.442 -1.873 1.00 . A A . 34 TRP HD1 1 1 3 1552 1 1 34 TRP HE1 H 15.907 -2.895 -2.147 1.00 . A A . 34 TRP HE1 1 1 3 1553 1 1 34 TRP HE3 H 11.365 -2.705 0.666 1.00 . A A . 34 TRP HE3 1 1 3 1554 1 1 34 TRP HH2 H 13.129 -6.494 -0.173 1.00 . A A . 34 TRP HH2 1 1 3 1555 1 1 34 TRP HZ2 H 14.981 -5.443 -1.391 1.00 . A A . 34 TRP HZ2 1 1 3 1556 1 1 34 TRP HZ3 H 11.362 -5.158 0.837 1.00 . A A . 34 TRP HZ3 1 1 3 1557 1 1 34 TRP N N 11.194 -0.644 1.412 1.00 . A A . 34 TRP N 1 1 3 1558 1 1 34 TRP NE1 N 15.100 -2.614 -1.663 1.00 . A A . 34 TRP NE1 1 1 3 1559 1 1 34 TRP O O 12.740 2.420 0.841 1.00 . A A . 34 TRP O 1 1 3 1560 1 1 35 ASN C C 10.901 2.801 4.658 1.00 . A A . 35 ASN C 1 1 3 1561 1 1 35 ASN CA C 11.446 2.985 3.252 1.00 . A A . 35 ASN CA 1 1 3 1562 1 1 35 ASN CB C 10.446 3.764 2.393 1.00 . A A . 35 ASN CB 1 1 3 1563 1 1 35 ASN CG C 10.339 5.222 2.796 1.00 . A A . 35 ASN CG 1 1 3 1564 1 1 35 ASN H H 11.364 0.901 3.172 1.00 . A A . 35 ASN H 1 1 3 1565 1 1 35 ASN HA H 12.384 3.516 3.292 1.00 . A A . 35 ASN HA 1 1 3 1566 1 1 35 ASN HB2 H 10.753 3.715 1.358 1.00 . A A . 35 ASN HB2 1 1 3 1567 1 1 35 ASN HB3 H 9.470 3.311 2.492 1.00 . A A . 35 ASN HB3 1 1 3 1568 1 1 35 ASN HD21 H 11.043 5.783 1.023 1.00 . A A . 35 ASN HD21 1 1 3 1569 1 1 35 ASN HD22 H 10.662 7.064 2.121 1.00 . A A . 35 ASN HD22 1 1 3 1570 1 1 35 ASN N N 11.685 1.680 2.684 1.00 . A A . 35 ASN N 1 1 3 1571 1 1 35 ASN ND2 N 10.717 6.111 1.890 1.00 . A A . 35 ASN ND2 1 1 3 1572 1 1 35 ASN O O 9.812 2.253 4.844 1.00 . A A . 35 ASN O 1 1 3 1573 1 1 35 ASN OD1 O 9.923 5.547 3.909 1.00 . A A . 35 ASN OD1 1 1 3 1574 1 1 36 ALA C C 11.113 1.598 7.380 1.00 . A A . 36 ALA C 1 1 3 1575 1 1 36 ALA CA C 11.292 3.077 7.036 1.00 . A A . 36 ALA CA 1 1 3 1576 1 1 36 ALA CB C 10.022 3.869 7.324 1.00 . A A . 36 ALA CB 1 1 3 1577 1 1 36 ALA H H 12.543 3.617 5.422 1.00 . A A . 36 ALA H 1 1 3 1578 1 1 36 ALA HA H 12.089 3.482 7.645 1.00 . A A . 36 ALA HA 1 1 3 1579 1 1 36 ALA HB1 H 9.833 3.874 8.389 1.00 . A A . 36 ALA HB1 1 1 3 1580 1 1 36 ALA HB2 H 9.188 3.412 6.814 1.00 . A A . 36 ALA HB2 1 1 3 1581 1 1 36 ALA HB3 H 10.144 4.883 6.976 1.00 . A A . 36 ALA HB3 1 1 3 1582 1 1 36 ALA N N 11.676 3.223 5.641 1.00 . A A . 36 ALA N 1 1 3 1583 1 1 36 ALA O O 10.075 1.231 7.974 1.00 . A A . 36 ALA O 1 1 3 1584 1 1 36 ALA OXT O 12.012 0.799 7.035 1.00 . A A . 36 ALA OXT 1 1 4 1585 1 1 1 LEU C C 1.191 3.496 -7.031 1.00 . A A . 1 LEU C 1 1 4 1586 1 1 1 LEU CA C 2.197 2.363 -6.870 1.00 . A A . 1 LEU CA 1 1 4 1587 1 1 1 LEU CB C 2.459 2.117 -5.384 1.00 . A A . 1 LEU CB 1 1 4 1588 1 1 1 LEU CD1 C 2.247 -0.389 -5.448 1.00 . A A . 1 LEU CD1 1 1 4 1589 1 1 1 LEU CD2 C 4.505 0.673 -5.631 1.00 . A A . 1 LEU CD2 1 1 4 1590 1 1 1 LEU CG C 3.118 0.783 -5.016 1.00 . A A . 1 LEU CG 1 1 4 1591 1 1 1 LEU H1 H 3.926 1.830 -7.899 1.00 . A A . 1 LEU H1 1 1 4 1592 1 1 1 LEU H2 H 4.116 3.171 -6.892 1.00 . A A . 1 LEU H2 1 1 4 1593 1 1 1 LEU H3 H 3.286 3.324 -8.354 1.00 . A A . 1 LEU H3 1 1 4 1594 1 1 1 LEU HA H 1.791 1.466 -7.315 1.00 . A A . 1 LEU HA 1 1 4 1595 1 1 1 LEU HB2 H 3.091 2.911 -5.021 1.00 . A A . 1 LEU HB2 1 1 4 1596 1 1 1 LEU HB3 H 1.514 2.171 -4.873 1.00 . A A . 1 LEU HB3 1 1 4 1597 1 1 1 LEU HD11 H 2.478 -1.252 -4.842 1.00 . A A . 1 LEU HD11 1 1 4 1598 1 1 1 LEU HD12 H 2.438 -0.617 -6.487 1.00 . A A . 1 LEU HD12 1 1 4 1599 1 1 1 LEU HD13 H 1.206 -0.130 -5.321 1.00 . A A . 1 LEU HD13 1 1 4 1600 1 1 1 LEU HD21 H 5.033 1.605 -5.496 1.00 . A A . 1 LEU HD21 1 1 4 1601 1 1 1 LEU HD22 H 4.416 0.457 -6.685 1.00 . A A . 1 LEU HD22 1 1 4 1602 1 1 1 LEU HD23 H 5.051 -0.123 -5.146 1.00 . A A . 1 LEU HD23 1 1 4 1603 1 1 1 LEU HG H 3.226 0.737 -3.937 1.00 . A A . 1 LEU HG 1 1 4 1604 1 1 1 LEU N N 3.470 2.692 -7.549 1.00 . A A . 1 LEU N 1 1 4 1605 1 1 1 LEU O O 1.566 4.669 -7.102 1.00 . A A . 1 LEU O 1 1 4 1606 1 1 2 PHE C C -1.341 4.953 -5.990 1.00 . A A . 2 PHE C 1 1 4 1607 1 1 2 PHE CA C -1.152 4.113 -7.253 1.00 . A A . 2 PHE CA 1 1 4 1608 1 1 2 PHE CB C -2.460 3.407 -7.630 1.00 . A A . 2 PHE CB 1 1 4 1609 1 1 2 PHE CD1 C -1.398 2.318 -9.643 1.00 . A A . 2 PHE CD1 1 1 4 1610 1 1 2 PHE CD2 C -3.669 3.029 -9.797 1.00 . A A . 2 PHE CD2 1 1 4 1611 1 1 2 PHE CE1 C -1.450 1.864 -10.947 1.00 . A A . 2 PHE CE1 1 1 4 1612 1 1 2 PHE CE2 C -3.726 2.575 -11.100 1.00 . A A . 2 PHE CE2 1 1 4 1613 1 1 2 PHE CG C -2.507 2.907 -9.052 1.00 . A A . 2 PHE CG 1 1 4 1614 1 1 2 PHE CZ C -2.616 1.991 -11.676 1.00 . A A . 2 PHE CZ 1 1 4 1615 1 1 2 PHE H H -0.314 2.185 -7.037 1.00 . A A . 2 PHE H 1 1 4 1616 1 1 2 PHE HA H -0.876 4.771 -8.056 1.00 . A A . 2 PHE HA 1 1 4 1617 1 1 2 PHE HB2 H -2.601 2.559 -6.979 1.00 . A A . 2 PHE HB2 1 1 4 1618 1 1 2 PHE HB3 H -3.280 4.096 -7.494 1.00 . A A . 2 PHE HB3 1 1 4 1619 1 1 2 PHE HD1 H -0.487 2.215 -9.077 1.00 . A A . 2 PHE HD1 1 1 4 1620 1 1 2 PHE HD2 H -4.540 3.486 -9.350 1.00 . A A . 2 PHE HD2 1 1 4 1621 1 1 2 PHE HE1 H -0.580 1.408 -11.396 1.00 . A A . 2 PHE HE1 1 1 4 1622 1 1 2 PHE HE2 H -4.639 2.676 -11.667 1.00 . A A . 2 PHE HE2 1 1 4 1623 1 1 2 PHE HZ H -2.658 1.636 -12.695 1.00 . A A . 2 PHE HZ 1 1 4 1624 1 1 2 PHE N N -0.083 3.138 -7.095 1.00 . A A . 2 PHE N 1 1 4 1625 1 1 2 PHE O O -0.614 5.920 -5.758 1.00 . A A . 2 PHE O 1 1 4 1626 1 1 3 CYS C C -1.431 5.798 -3.224 1.00 . A A . 3 CYS C 1 1 4 1627 1 1 3 CYS CA C -2.670 5.306 -3.968 1.00 . A A . 3 CYS CA 1 1 4 1628 1 1 3 CYS CB C -3.513 4.421 -3.048 1.00 . A A . 3 CYS CB 1 1 4 1629 1 1 3 CYS H H -2.884 3.819 -5.456 1.00 . A A . 3 CYS H 1 1 4 1630 1 1 3 CYS HA H -3.260 6.165 -4.247 1.00 . A A . 3 CYS HA 1 1 4 1631 1 1 3 CYS HB2 H -4.535 4.431 -3.393 1.00 . A A . 3 CYS HB2 1 1 4 1632 1 1 3 CYS HB3 H -3.142 3.411 -3.084 1.00 . A A . 3 CYS HB3 1 1 4 1633 1 1 3 CYS N N -2.337 4.588 -5.197 1.00 . A A . 3 CYS N 1 1 4 1634 1 1 3 CYS O O -0.683 5.013 -2.647 1.00 . A A . 3 CYS O 1 1 4 1635 1 1 3 CYS SG S -3.519 4.950 -1.302 1.00 . A A . 3 CYS SG 1 1 4 1636 1 1 4 LYS C C 1.127 6.899 -2.611 1.00 . A A . 4 LYS C 1 1 4 1637 1 1 4 LYS CA C -0.129 7.764 -2.561 1.00 . A A . 4 LYS CA 1 1 4 1638 1 1 4 LYS CB C -0.507 8.092 -1.113 1.00 . A A . 4 LYS CB 1 1 4 1639 1 1 4 LYS CD C -0.064 9.508 0.924 1.00 . A A . 4 LYS CD 1 1 4 1640 1 1 4 LYS CE C -0.240 8.349 1.891 1.00 . A A . 4 LYS CE 1 1 4 1641 1 1 4 LYS CG C 0.463 9.045 -0.428 1.00 . A A . 4 LYS CG 1 1 4 1642 1 1 4 LYS H H -1.895 7.674 -3.710 1.00 . A A . 4 LYS H 1 1 4 1643 1 1 4 LYS HA H 0.073 8.685 -3.082 1.00 . A A . 4 LYS HA 1 1 4 1644 1 1 4 LYS HB2 H -1.488 8.543 -1.104 1.00 . A A . 4 LYS HB2 1 1 4 1645 1 1 4 LYS HB3 H -0.537 7.174 -0.546 1.00 . A A . 4 LYS HB3 1 1 4 1646 1 1 4 LYS HD2 H 0.636 10.212 1.348 1.00 . A A . 4 LYS HD2 1 1 4 1647 1 1 4 LYS HD3 H -1.018 9.992 0.779 1.00 . A A . 4 LYS HD3 1 1 4 1648 1 1 4 LYS HE2 H -0.608 8.733 2.830 1.00 . A A . 4 LYS HE2 1 1 4 1649 1 1 4 LYS HE3 H -0.959 7.657 1.479 1.00 . A A . 4 LYS HE3 1 1 4 1650 1 1 4 LYS HG2 H 1.405 8.542 -0.279 1.00 . A A . 4 LYS HG2 1 1 4 1651 1 1 4 LYS HG3 H 0.610 9.909 -1.060 1.00 . A A . 4 LYS HG3 1 1 4 1652 1 1 4 LYS HZ1 H 1.774 8.300 2.429 1.00 . A A . 4 LYS HZ1 1 1 4 1653 1 1 4 LYS HZ2 H 1.351 7.154 1.264 1.00 . A A . 4 LYS HZ2 1 1 4 1654 1 1 4 LYS HZ3 H 0.914 6.921 2.875 1.00 . A A . 4 LYS HZ3 1 1 4 1655 1 1 4 LYS N N -1.245 7.113 -3.236 1.00 . A A . 4 LYS N 1 1 4 1656 1 1 4 LYS NZ N 1.037 7.632 2.132 1.00 . A A . 4 LYS NZ 1 1 4 1657 1 1 4 LYS O O 1.865 6.784 -1.628 1.00 . A A . 4 LYS O 1 1 4 1658 1 1 5 GLY C C 2.411 4.155 -3.177 1.00 . A A . 5 GLY C 1 1 4 1659 1 1 5 GLY CA C 2.536 5.462 -3.929 1.00 . A A . 5 GLY CA 1 1 4 1660 1 1 5 GLY H H 0.752 6.435 -4.515 1.00 . A A . 5 GLY H 1 1 4 1661 1 1 5 GLY HA2 H 2.667 5.249 -4.978 1.00 . A A . 5 GLY HA2 1 1 4 1662 1 1 5 GLY HA3 H 3.405 5.991 -3.567 1.00 . A A . 5 GLY HA3 1 1 4 1663 1 1 5 GLY N N 1.371 6.303 -3.763 1.00 . A A . 5 GLY N 1 1 4 1664 1 1 5 GLY O O 3.369 3.691 -2.557 1.00 . A A . 5 GLY O 1 1 4 1665 1 1 6 GLY C C -0.331 1.693 -3.062 1.00 . A A . 6 GLY C 1 1 4 1666 1 1 6 GLY CA C 0.963 2.306 -2.578 1.00 . A A . 6 GLY CA 1 1 4 1667 1 1 6 GLY H H 0.508 3.999 -3.752 1.00 . A A . 6 GLY H 1 1 4 1668 1 1 6 GLY HA2 H 1.774 1.623 -2.776 1.00 . A A . 6 GLY HA2 1 1 4 1669 1 1 6 GLY HA3 H 0.892 2.473 -1.516 1.00 . A A . 6 GLY HA3 1 1 4 1670 1 1 6 GLY N N 1.227 3.567 -3.241 1.00 . A A . 6 GLY N 1 1 4 1671 1 1 6 GLY O O -1.334 2.385 -3.180 1.00 . A A . 6 GLY O 1 1 4 1672 1 1 7 SER C C -2.469 -0.526 -2.662 1.00 . A A . 7 SER C 1 1 4 1673 1 1 7 SER CA C -1.513 -0.274 -3.822 1.00 . A A . 7 SER CA 1 1 4 1674 1 1 7 SER CB C -1.135 -1.590 -4.510 1.00 . A A . 7 SER CB 1 1 4 1675 1 1 7 SER H H 0.514 -0.110 -3.243 1.00 . A A . 7 SER H 1 1 4 1676 1 1 7 SER HA H -1.999 0.370 -4.541 1.00 . A A . 7 SER HA 1 1 4 1677 1 1 7 SER HB2 H -2.010 -2.215 -4.593 1.00 . A A . 7 SER HB2 1 1 4 1678 1 1 7 SER HB3 H -0.748 -1.380 -5.495 1.00 . A A . 7 SER HB3 1 1 4 1679 1 1 7 SER HG H -0.333 -2.210 -2.827 1.00 . A A . 7 SER HG 1 1 4 1680 1 1 7 SER N N -0.316 0.402 -3.351 1.00 . A A . 7 SER N 1 1 4 1681 1 1 7 SER O O -2.090 -1.135 -1.662 1.00 . A A . 7 SER O 1 1 4 1682 1 1 7 SER OG O -0.145 -2.288 -3.771 1.00 . A A . 7 SER OG 1 1 4 1683 1 1 8 CYS C C -4.848 -1.701 -1.388 1.00 . A A . 8 CYS C 1 1 4 1684 1 1 8 CYS CA C -4.696 -0.224 -1.740 1.00 . A A . 8 CYS CA 1 1 4 1685 1 1 8 CYS CB C -6.020 0.416 -2.165 1.00 . A A . 8 CYS CB 1 1 4 1686 1 1 8 CYS H H -3.942 0.439 -3.606 1.00 . A A . 8 CYS H 1 1 4 1687 1 1 8 CYS HA H -4.338 0.290 -0.865 1.00 . A A . 8 CYS HA 1 1 4 1688 1 1 8 CYS HB2 H -6.366 -0.042 -3.079 1.00 . A A . 8 CYS HB2 1 1 4 1689 1 1 8 CYS HB3 H -6.749 0.264 -1.390 1.00 . A A . 8 CYS HB3 1 1 4 1690 1 1 8 CYS N N -3.700 -0.049 -2.789 1.00 . A A . 8 CYS N 1 1 4 1691 1 1 8 CYS O O -4.977 -2.554 -2.264 1.00 . A A . 8 CYS O 1 1 4 1692 1 1 8 CYS SG S -5.858 2.219 -2.442 1.00 . A A . 8 CYS SG 1 1 4 1693 1 1 9 HIS C C -6.070 -4.110 -0.091 1.00 . A A . 9 HIS C 1 1 4 1694 1 1 9 HIS CA C -4.849 -3.354 0.415 1.00 . A A . 9 HIS CA 1 1 4 1695 1 1 9 HIS CB C -4.835 -3.369 1.948 1.00 . A A . 9 HIS CB 1 1 4 1696 1 1 9 HIS CD2 C -2.305 -3.943 1.957 1.00 . A A . 9 HIS CD2 1 1 4 1697 1 1 9 HIS CE1 C -2.070 -4.295 4.104 1.00 . A A . 9 HIS CE1 1 1 4 1698 1 1 9 HIS CG C -3.513 -3.753 2.536 1.00 . A A . 9 HIS CG 1 1 4 1699 1 1 9 HIS H H -4.627 -1.258 0.542 1.00 . A A . 9 HIS H 1 1 4 1700 1 1 9 HIS HA H -3.970 -3.871 0.064 1.00 . A A . 9 HIS HA 1 1 4 1701 1 1 9 HIS HB2 H -5.080 -2.386 2.314 1.00 . A A . 9 HIS HB2 1 1 4 1702 1 1 9 HIS HB3 H -5.572 -4.072 2.304 1.00 . A A . 9 HIS HB3 1 1 4 1703 1 1 9 HIS HD1 H -4.027 -3.934 4.569 1.00 . A A . 9 HIS HD1 1 1 4 1704 1 1 9 HIS HD2 H -2.076 -3.846 0.903 1.00 . A A . 9 HIS HD2 1 1 4 1705 1 1 9 HIS HE1 H -1.639 -4.526 5.067 1.00 . A A . 9 HIS HE1 1 1 4 1706 1 1 9 HIS HE2 H -0.546 -4.688 2.807 1.00 . A A . 9 HIS HE2 1 1 4 1707 1 1 9 HIS N N -4.775 -1.988 -0.093 1.00 . A A . 9 HIS N 1 1 4 1708 1 1 9 HIS ND1 N -3.330 -3.980 3.880 1.00 . A A . 9 HIS ND1 1 1 4 1709 1 1 9 HIS NE2 N -1.425 -4.282 2.953 1.00 . A A . 9 HIS NE2 1 1 4 1710 1 1 9 HIS O O -7.094 -4.185 0.585 1.00 . A A . 9 HIS O 1 1 4 1711 1 1 10 PHE C C -7.018 -6.873 -1.174 1.00 . A A . 10 PHE C 1 1 4 1712 1 1 10 PHE CA C -7.007 -5.501 -1.839 1.00 . A A . 10 PHE CA 1 1 4 1713 1 1 10 PHE CB C -6.818 -5.645 -3.354 1.00 . A A . 10 PHE CB 1 1 4 1714 1 1 10 PHE CD1 C -7.437 -3.213 -3.583 1.00 . A A . 10 PHE CD1 1 1 4 1715 1 1 10 PHE CD2 C -7.656 -4.632 -5.487 1.00 . A A . 10 PHE CD2 1 1 4 1716 1 1 10 PHE CE1 C -7.896 -2.143 -4.326 1.00 . A A . 10 PHE CE1 1 1 4 1717 1 1 10 PHE CE2 C -8.115 -3.565 -6.234 1.00 . A A . 10 PHE CE2 1 1 4 1718 1 1 10 PHE CG C -7.311 -4.471 -4.155 1.00 . A A . 10 PHE CG 1 1 4 1719 1 1 10 PHE CZ C -8.234 -2.319 -5.652 1.00 . A A . 10 PHE CZ 1 1 4 1720 1 1 10 PHE H H -5.086 -4.630 -1.741 1.00 . A A . 10 PHE H 1 1 4 1721 1 1 10 PHE HA H -7.947 -5.005 -1.639 1.00 . A A . 10 PHE HA 1 1 4 1722 1 1 10 PHE HB2 H -5.767 -5.769 -3.566 1.00 . A A . 10 PHE HB2 1 1 4 1723 1 1 10 PHE HB3 H -7.352 -6.522 -3.693 1.00 . A A . 10 PHE HB3 1 1 4 1724 1 1 10 PHE HD1 H -7.176 -3.073 -2.546 1.00 . A A . 10 PHE HD1 1 1 4 1725 1 1 10 PHE HD2 H -7.562 -5.606 -5.944 1.00 . A A . 10 PHE HD2 1 1 4 1726 1 1 10 PHE HE1 H -7.989 -1.168 -3.869 1.00 . A A . 10 PHE HE1 1 1 4 1727 1 1 10 PHE HE2 H -8.379 -3.706 -7.270 1.00 . A A . 10 PHE HE2 1 1 4 1728 1 1 10 PHE HZ H -8.593 -1.483 -6.235 1.00 . A A . 10 PHE HZ 1 1 4 1729 1 1 10 PHE N N -5.938 -4.703 -1.262 1.00 . A A . 10 PHE N 1 1 4 1730 1 1 10 PHE O O -6.917 -7.901 -1.847 1.00 . A A . 10 PHE O 1 1 4 1731 1 1 11 GLY C C -5.711 -8.769 0.863 1.00 . A A . 11 GLY C 1 1 4 1732 1 1 11 GLY CA C -7.086 -8.137 0.880 1.00 . A A . 11 GLY CA 1 1 4 1733 1 1 11 GLY H H -7.144 -6.032 0.644 1.00 . A A . 11 GLY H 1 1 4 1734 1 1 11 GLY HA2 H -7.380 -7.956 1.902 1.00 . A A . 11 GLY HA2 1 1 4 1735 1 1 11 GLY HA3 H -7.790 -8.818 0.426 1.00 . A A . 11 GLY HA3 1 1 4 1736 1 1 11 GLY N N -7.099 -6.883 0.153 1.00 . A A . 11 GLY N 1 1 4 1737 1 1 11 GLY O O -5.566 -9.977 0.666 1.00 . A A . 11 GLY O 1 1 4 1738 1 1 12 GLY C C -2.410 -7.435 0.363 1.00 . A A . 12 GLY C 1 1 4 1739 1 1 12 GLY CA C -3.329 -8.405 1.071 1.00 . A A . 12 GLY CA 1 1 4 1740 1 1 12 GLY H H -4.883 -6.988 1.212 1.00 . A A . 12 GLY H 1 1 4 1741 1 1 12 GLY HA2 H -3.002 -8.518 2.094 1.00 . A A . 12 GLY HA2 1 1 4 1742 1 1 12 GLY HA3 H -3.278 -9.363 0.577 1.00 . A A . 12 GLY HA3 1 1 4 1743 1 1 12 GLY N N -4.699 -7.940 1.065 1.00 . A A . 12 GLY N 1 1 4 1744 1 1 12 GLY O O -2.603 -6.221 0.438 1.00 . A A . 12 GLY O 1 1 4 1745 1 1 13 CYS C C 0.472 -8.098 -1.844 1.00 . A A . 13 CYS C 1 1 4 1746 1 1 13 CYS CA C -0.464 -7.163 -1.075 1.00 . A A . 13 CYS CA 1 1 4 1747 1 1 13 CYS CB C 0.337 -6.255 -0.125 1.00 . A A . 13 CYS CB 1 1 4 1748 1 1 13 CYS H H -1.330 -8.949 -0.356 1.00 . A A . 13 CYS H 1 1 4 1749 1 1 13 CYS HA H -1.013 -6.554 -1.778 1.00 . A A . 13 CYS HA 1 1 4 1750 1 1 13 CYS HB2 H -0.276 -5.985 0.719 1.00 . A A . 13 CYS HB2 1 1 4 1751 1 1 13 CYS HB3 H 1.198 -6.802 0.220 1.00 . A A . 13 CYS HB3 1 1 4 1752 1 1 13 CYS N N -1.422 -7.971 -0.334 1.00 . A A . 13 CYS N 1 1 4 1753 1 1 13 CYS O O 0.632 -9.263 -1.471 1.00 . A A . 13 CYS O 1 1 4 1754 1 1 13 CYS SG S 0.955 -4.710 -0.881 1.00 . A A . 13 CYS SG 1 1 4 1755 1 1 14 PRO C C 2.986 -9.225 -2.897 1.00 . A A . 14 PRO C 1 1 4 1756 1 1 14 PRO CA C 2.012 -8.413 -3.741 1.00 . A A . 14 PRO CA 1 1 4 1757 1 1 14 PRO CB C 2.753 -7.359 -4.562 1.00 . A A . 14 PRO CB 1 1 4 1758 1 1 14 PRO CD C 0.970 -6.239 -3.428 1.00 . A A . 14 PRO CD 1 1 4 1759 1 1 14 PRO CG C 1.771 -6.250 -4.704 1.00 . A A . 14 PRO CG 1 1 4 1760 1 1 14 PRO HA H 1.471 -9.074 -4.402 1.00 . A A . 14 PRO HA 1 1 4 1761 1 1 14 PRO HB2 H 3.640 -7.042 -4.032 1.00 . A A . 14 PRO HB2 1 1 4 1762 1 1 14 PRO HB3 H 3.026 -7.770 -5.522 1.00 . A A . 14 PRO HB3 1 1 4 1763 1 1 14 PRO HD2 H 1.391 -5.543 -2.726 1.00 . A A . 14 PRO HD2 1 1 4 1764 1 1 14 PRO HD3 H -0.063 -5.997 -3.632 1.00 . A A . 14 PRO HD3 1 1 4 1765 1 1 14 PRO HG2 H 2.292 -5.312 -4.830 1.00 . A A . 14 PRO HG2 1 1 4 1766 1 1 14 PRO HG3 H 1.127 -6.435 -5.548 1.00 . A A . 14 PRO HG3 1 1 4 1767 1 1 14 PRO N N 1.099 -7.612 -2.921 1.00 . A A . 14 PRO N 1 1 4 1768 1 1 14 PRO O O 3.348 -10.346 -3.255 1.00 . A A . 14 PRO O 1 1 4 1769 1 1 15 SER C C 4.370 -8.613 0.474 1.00 . A A . 15 SER C 1 1 4 1770 1 1 15 SER CA C 4.335 -9.321 -0.879 1.00 . A A . 15 SER CA 1 1 4 1771 1 1 15 SER CB C 5.732 -9.369 -1.506 1.00 . A A . 15 SER CB 1 1 4 1772 1 1 15 SER H H 3.078 -7.761 -1.550 1.00 . A A . 15 SER H 1 1 4 1773 1 1 15 SER HA H 3.984 -10.330 -0.731 1.00 . A A . 15 SER HA 1 1 4 1774 1 1 15 SER HB2 H 6.447 -9.691 -0.763 1.00 . A A . 15 SER HB2 1 1 4 1775 1 1 15 SER HB3 H 5.731 -10.068 -2.330 1.00 . A A . 15 SER HB3 1 1 4 1776 1 1 15 SER HG H 7.034 -7.922 -1.732 1.00 . A A . 15 SER HG 1 1 4 1777 1 1 15 SER N N 3.404 -8.654 -1.778 1.00 . A A . 15 SER N 1 1 4 1778 1 1 15 SER O O 5.431 -8.208 0.957 1.00 . A A . 15 SER O 1 1 4 1779 1 1 15 SER OG O 6.121 -8.095 -1.988 1.00 . A A . 15 SER OG 1 1 4 1780 1 1 16 HIS C C 3.848 -6.498 2.379 1.00 . A A . 16 HIS C 1 1 4 1781 1 1 16 HIS CA C 3.079 -7.810 2.381 1.00 . A A . 16 HIS CA 1 1 4 1782 1 1 16 HIS CB C 3.607 -8.722 3.486 1.00 . A A . 16 HIS CB 1 1 4 1783 1 1 16 HIS CD2 C 3.360 -11.289 3.309 1.00 . A A . 16 HIS CD2 1 1 4 1784 1 1 16 HIS CE1 C 1.253 -11.453 3.878 1.00 . A A . 16 HIS CE1 1 1 4 1785 1 1 16 HIS CG C 2.909 -10.040 3.557 1.00 . A A . 16 HIS CG 1 1 4 1786 1 1 16 HIS H H 2.387 -8.814 0.648 1.00 . A A . 16 HIS H 1 1 4 1787 1 1 16 HIS HA H 2.035 -7.605 2.558 1.00 . A A . 16 HIS HA 1 1 4 1788 1 1 16 HIS HB2 H 4.654 -8.910 3.315 1.00 . A A . 16 HIS HB2 1 1 4 1789 1 1 16 HIS HB3 H 3.485 -8.229 4.439 1.00 . A A . 16 HIS HB3 1 1 4 1790 1 1 16 HIS HD1 H 0.976 -9.442 4.150 1.00 . A A . 16 HIS HD1 1 1 4 1791 1 1 16 HIS HD2 H 4.359 -11.558 2.997 1.00 . A A . 16 HIS HD2 1 1 4 1792 1 1 16 HIS HE1 H 0.281 -11.860 4.111 1.00 . A A . 16 HIS HE1 1 1 4 1793 1 1 16 HIS HE2 H 2.321 -13.114 3.339 1.00 . A A . 16 HIS HE2 1 1 4 1794 1 1 16 HIS N N 3.195 -8.466 1.082 1.00 . A A . 16 HIS N 1 1 4 1795 1 1 16 HIS ND1 N 1.585 -10.176 3.910 1.00 . A A . 16 HIS ND1 1 1 4 1796 1 1 16 HIS NE2 N 2.312 -12.147 3.516 1.00 . A A . 16 HIS NE2 1 1 4 1797 1 1 16 HIS O O 4.617 -6.206 3.295 1.00 . A A . 16 HIS O 1 1 4 1798 1 1 17 LEU C C 3.945 -3.494 2.319 1.00 . A A . 17 LEU C 1 1 4 1799 1 1 17 LEU CA C 4.317 -4.441 1.180 1.00 . A A . 17 LEU CA 1 1 4 1800 1 1 17 LEU CB C 3.952 -3.807 -0.161 1.00 . A A . 17 LEU CB 1 1 4 1801 1 1 17 LEU CD1 C 3.488 -4.013 -2.609 1.00 . A A . 17 LEU CD1 1 1 4 1802 1 1 17 LEU CD2 C 5.176 -5.520 -1.528 1.00 . A A . 17 LEU CD2 1 1 4 1803 1 1 17 LEU CG C 3.866 -4.769 -1.345 1.00 . A A . 17 LEU CG 1 1 4 1804 1 1 17 LEU H H 3.025 -6.015 0.639 1.00 . A A . 17 LEU H 1 1 4 1805 1 1 17 LEU HA H 5.381 -4.619 1.207 1.00 . A A . 17 LEU HA 1 1 4 1806 1 1 17 LEU HB2 H 3.003 -3.313 -0.060 1.00 . A A . 17 LEU HB2 1 1 4 1807 1 1 17 LEU HB3 H 4.697 -3.069 -0.391 1.00 . A A . 17 LEU HB3 1 1 4 1808 1 1 17 LEU HD11 H 2.455 -3.697 -2.542 1.00 . A A . 17 LEU HD11 1 1 4 1809 1 1 17 LEU HD12 H 3.614 -4.658 -3.465 1.00 . A A . 17 LEU HD12 1 1 4 1810 1 1 17 LEU HD13 H 4.122 -3.146 -2.714 1.00 . A A . 17 LEU HD13 1 1 4 1811 1 1 17 LEU HD21 H 5.270 -6.272 -0.757 1.00 . A A . 17 LEU HD21 1 1 4 1812 1 1 17 LEU HD22 H 6.002 -4.829 -1.460 1.00 . A A . 17 LEU HD22 1 1 4 1813 1 1 17 LEU HD23 H 5.185 -5.995 -2.497 1.00 . A A . 17 LEU HD23 1 1 4 1814 1 1 17 LEU HG H 3.091 -5.494 -1.153 1.00 . A A . 17 LEU HG 1 1 4 1815 1 1 17 LEU N N 3.643 -5.720 1.333 1.00 . A A . 17 LEU N 1 1 4 1816 1 1 17 LEU O O 2.821 -3.528 2.823 1.00 . A A . 17 LEU O 1 1 4 1817 1 1 18 ILE C C 3.480 -0.795 3.457 1.00 . A A . 18 ILE C 1 1 4 1818 1 1 18 ILE CA C 4.655 -1.701 3.794 1.00 . A A . 18 ILE CA 1 1 4 1819 1 1 18 ILE CB C 5.902 -0.829 4.059 1.00 . A A . 18 ILE CB 1 1 4 1820 1 1 18 ILE CD1 C 8.369 -0.935 4.692 1.00 . A A . 18 ILE CD1 1 1 4 1821 1 1 18 ILE CG1 C 7.084 -1.706 4.479 1.00 . A A . 18 ILE CG1 1 1 4 1822 1 1 18 ILE CG2 C 5.604 0.219 5.126 1.00 . A A . 18 ILE CG2 1 1 4 1823 1 1 18 ILE H H 5.763 -2.675 2.281 1.00 . A A . 18 ILE H 1 1 4 1824 1 1 18 ILE HA H 4.429 -2.256 4.694 1.00 . A A . 18 ILE HA 1 1 4 1825 1 1 18 ILE HB H 6.153 -0.314 3.144 1.00 . A A . 18 ILE HB 1 1 4 1826 1 1 18 ILE HD11 H 8.519 -0.249 3.872 1.00 . A A . 18 ILE HD11 1 1 4 1827 1 1 18 ILE HD12 H 9.198 -1.625 4.741 1.00 . A A . 18 ILE HD12 1 1 4 1828 1 1 18 ILE HD13 H 8.307 -0.381 5.618 1.00 . A A . 18 ILE HD13 1 1 4 1829 1 1 18 ILE HG12 H 6.841 -2.205 5.405 1.00 . A A . 18 ILE HG12 1 1 4 1830 1 1 18 ILE HG13 H 7.263 -2.445 3.714 1.00 . A A . 18 ILE HG13 1 1 4 1831 1 1 18 ILE HG21 H 5.185 -0.262 5.998 1.00 . A A . 18 ILE HG21 1 1 4 1832 1 1 18 ILE HG22 H 4.898 0.938 4.738 1.00 . A A . 18 ILE HG22 1 1 4 1833 1 1 18 ILE HG23 H 6.518 0.725 5.399 1.00 . A A . 18 ILE HG23 1 1 4 1834 1 1 18 ILE N N 4.889 -2.656 2.720 1.00 . A A . 18 ILE N 1 1 4 1835 1 1 18 ILE O O 3.381 -0.284 2.341 1.00 . A A . 18 ILE O 1 1 4 1836 1 1 19 LYS C C 1.878 1.714 4.037 1.00 . A A . 19 LYS C 1 1 4 1837 1 1 19 LYS CA C 1.438 0.261 4.217 1.00 . A A . 19 LYS CA 1 1 4 1838 1 1 19 LYS CB C 0.477 0.129 5.400 1.00 . A A . 19 LYS CB 1 1 4 1839 1 1 19 LYS CD C -1.293 1.222 6.822 1.00 . A A . 19 LYS CD 1 1 4 1840 1 1 19 LYS CE C -0.441 1.841 7.928 1.00 . A A . 19 LYS CE 1 1 4 1841 1 1 19 LYS CG C -0.578 1.221 5.476 1.00 . A A . 19 LYS CG 1 1 4 1842 1 1 19 LYS H H 2.731 -1.021 5.291 1.00 . A A . 19 LYS H 1 1 4 1843 1 1 19 LYS HA H 0.941 -0.070 3.321 1.00 . A A . 19 LYS HA 1 1 4 1844 1 1 19 LYS HB2 H -0.035 -0.822 5.322 1.00 . A A . 19 LYS HB2 1 1 4 1845 1 1 19 LYS HB3 H 1.048 0.142 6.310 1.00 . A A . 19 LYS HB3 1 1 4 1846 1 1 19 LYS HD2 H -2.207 1.789 6.730 1.00 . A A . 19 LYS HD2 1 1 4 1847 1 1 19 LYS HD3 H -1.529 0.203 7.092 1.00 . A A . 19 LYS HD3 1 1 4 1848 1 1 19 LYS HE2 H -0.165 2.841 7.632 1.00 . A A . 19 LYS HE2 1 1 4 1849 1 1 19 LYS HE3 H -1.033 1.889 8.830 1.00 . A A . 19 LYS HE3 1 1 4 1850 1 1 19 LYS HG2 H -0.103 2.179 5.334 1.00 . A A . 19 LYS HG2 1 1 4 1851 1 1 19 LYS HG3 H -1.304 1.060 4.693 1.00 . A A . 19 LYS HG3 1 1 4 1852 1 1 19 LYS HZ1 H 0.604 0.045 8.166 1.00 . A A . 19 LYS HZ1 1 1 4 1853 1 1 19 LYS HZ2 H 1.152 1.293 9.160 1.00 . A A . 19 LYS HZ2 1 1 4 1854 1 1 19 LYS HZ3 H 1.538 1.295 7.518 1.00 . A A . 19 LYS HZ3 1 1 4 1855 1 1 19 LYS N N 2.596 -0.592 4.420 1.00 . A A . 19 LYS N 1 1 4 1856 1 1 19 LYS NZ N 0.798 1.065 8.209 1.00 . A A . 19 LYS NZ 1 1 4 1857 1 1 19 LYS O O 2.553 2.278 4.900 1.00 . A A . 19 LYS O 1 1 4 1858 1 1 20 VAL C C 0.629 4.490 2.157 1.00 . A A . 20 VAL C 1 1 4 1859 1 1 20 VAL CA C 1.850 3.691 2.613 1.00 . A A . 20 VAL CA 1 1 4 1860 1 1 20 VAL CB C 2.942 3.756 1.522 1.00 . A A . 20 VAL CB 1 1 4 1861 1 1 20 VAL CG1 C 4.225 3.090 2.004 1.00 . A A . 20 VAL CG1 1 1 4 1862 1 1 20 VAL CG2 C 2.453 3.114 0.227 1.00 . A A . 20 VAL CG2 1 1 4 1863 1 1 20 VAL H H 0.964 1.807 2.268 1.00 . A A . 20 VAL H 1 1 4 1864 1 1 20 VAL HA H 2.242 4.139 3.511 1.00 . A A . 20 VAL HA 1 1 4 1865 1 1 20 VAL HB H 3.160 4.795 1.322 1.00 . A A . 20 VAL HB 1 1 4 1866 1 1 20 VAL HG11 H 4.107 2.017 1.974 1.00 . A A . 20 VAL HG11 1 1 4 1867 1 1 20 VAL HG12 H 4.434 3.401 3.017 1.00 . A A . 20 VAL HG12 1 1 4 1868 1 1 20 VAL HG13 H 5.044 3.380 1.363 1.00 . A A . 20 VAL HG13 1 1 4 1869 1 1 20 VAL HG21 H 3.290 2.941 -0.432 1.00 . A A . 20 VAL HG21 1 1 4 1870 1 1 20 VAL HG22 H 1.746 3.772 -0.256 1.00 . A A . 20 VAL HG22 1 1 4 1871 1 1 20 VAL HG23 H 1.973 2.172 0.448 1.00 . A A . 20 VAL HG23 1 1 4 1872 1 1 20 VAL N N 1.495 2.310 2.915 1.00 . A A . 20 VAL N 1 1 4 1873 1 1 20 VAL O O 0.734 5.376 1.309 1.00 . A A . 20 VAL O 1 1 4 1874 1 1 21 GLY C C -2.976 4.066 2.720 1.00 . A A . 21 GLY C 1 1 4 1875 1 1 21 GLY CA C -1.750 4.886 2.382 1.00 . A A . 21 GLY CA 1 1 4 1876 1 1 21 GLY H H -0.551 3.472 3.410 1.00 . A A . 21 GLY H 1 1 4 1877 1 1 21 GLY HA2 H -1.787 5.819 2.927 1.00 . A A . 21 GLY HA2 1 1 4 1878 1 1 21 GLY HA3 H -1.747 5.096 1.324 1.00 . A A . 21 GLY HA3 1 1 4 1879 1 1 21 GLY N N -0.525 4.182 2.731 1.00 . A A . 21 GLY N 1 1 4 1880 1 1 21 GLY O O -2.891 3.135 3.522 1.00 . A A . 21 GLY O 1 1 4 1881 1 1 22 SER C C -6.528 4.080 1.542 1.00 . A A . 22 SER C 1 1 4 1882 1 1 22 SER CA C -5.329 3.617 2.366 1.00 . A A . 22 SER CA 1 1 4 1883 1 1 22 SER CB C -5.673 3.687 3.855 1.00 . A A . 22 SER CB 1 1 4 1884 1 1 22 SER H H -4.134 5.113 1.455 1.00 . A A . 22 SER H 1 1 4 1885 1 1 22 SER HA H -5.129 2.590 2.116 1.00 . A A . 22 SER HA 1 1 4 1886 1 1 22 SER HB2 H -6.692 3.360 4.002 1.00 . A A . 22 SER HB2 1 1 4 1887 1 1 22 SER HB3 H -5.009 3.041 4.405 1.00 . A A . 22 SER HB3 1 1 4 1888 1 1 22 SER HG H -5.192 5.580 3.649 1.00 . A A . 22 SER HG 1 1 4 1889 1 1 22 SER N N -4.115 4.375 2.103 1.00 . A A . 22 SER N 1 1 4 1890 1 1 22 SER O O -6.824 5.274 1.446 1.00 . A A . 22 SER O 1 1 4 1891 1 1 22 SER OG O -5.543 5.013 4.350 1.00 . A A . 22 SER OG 1 1 4 1892 1 1 23 CYS C C -9.637 3.041 1.167 1.00 . A A . 23 CYS C 1 1 4 1893 1 1 23 CYS CA C -8.457 3.312 0.240 1.00 . A A . 23 CYS CA 1 1 4 1894 1 1 23 CYS CB C -8.533 2.360 -0.965 1.00 . A A . 23 CYS CB 1 1 4 1895 1 1 23 CYS H H -6.950 2.179 1.174 1.00 . A A . 23 CYS H 1 1 4 1896 1 1 23 CYS HA H -8.484 4.338 -0.096 1.00 . A A . 23 CYS HA 1 1 4 1897 1 1 23 CYS HB2 H -8.049 1.437 -0.704 1.00 . A A . 23 CYS HB2 1 1 4 1898 1 1 23 CYS HB3 H -9.572 2.159 -1.185 1.00 . A A . 23 CYS HB3 1 1 4 1899 1 1 23 CYS N N -7.236 3.098 1.006 1.00 . A A . 23 CYS N 1 1 4 1900 1 1 23 CYS O O -9.494 2.290 2.138 1.00 . A A . 23 CYS O 1 1 4 1901 1 1 23 CYS SG S -7.751 2.954 -2.500 1.00 . A A . 23 CYS SG 1 1 4 1902 1 1 24 PHE C C -12.143 1.910 1.956 1.00 . A A . 24 PHE C 1 1 4 1903 1 1 24 PHE CA C -11.960 3.406 1.717 1.00 . A A . 24 PHE CA 1 1 4 1904 1 1 24 PHE CB C -13.215 3.991 1.064 1.00 . A A . 24 PHE CB 1 1 4 1905 1 1 24 PHE CD1 C -14.437 4.143 3.256 1.00 . A A . 24 PHE CD1 1 1 4 1906 1 1 24 PHE CD2 C -15.644 3.407 1.335 1.00 . A A . 24 PHE CD2 1 1 4 1907 1 1 24 PHE CE1 C -15.577 4.009 4.026 1.00 . A A . 24 PHE CE1 1 1 4 1908 1 1 24 PHE CE2 C -16.785 3.270 2.101 1.00 . A A . 24 PHE CE2 1 1 4 1909 1 1 24 PHE CG C -14.457 3.845 1.902 1.00 . A A . 24 PHE CG 1 1 4 1910 1 1 24 PHE CZ C -16.752 3.571 3.449 1.00 . A A . 24 PHE CZ 1 1 4 1911 1 1 24 PHE H H -10.858 4.215 0.097 1.00 . A A . 24 PHE H 1 1 4 1912 1 1 24 PHE HA H -11.792 3.895 2.666 1.00 . A A . 24 PHE HA 1 1 4 1913 1 1 24 PHE HB2 H -13.060 5.044 0.881 1.00 . A A . 24 PHE HB2 1 1 4 1914 1 1 24 PHE HB3 H -13.387 3.489 0.124 1.00 . A A . 24 PHE HB3 1 1 4 1915 1 1 24 PHE HD1 H -13.520 4.486 3.710 1.00 . A A . 24 PHE HD1 1 1 4 1916 1 1 24 PHE HD2 H -15.673 3.172 0.283 1.00 . A A . 24 PHE HD2 1 1 4 1917 1 1 24 PHE HE1 H -15.548 4.244 5.080 1.00 . A A . 24 PHE HE1 1 1 4 1918 1 1 24 PHE HE2 H -17.704 2.929 1.646 1.00 . A A . 24 PHE HE2 1 1 4 1919 1 1 24 PHE HZ H -17.644 3.465 4.048 1.00 . A A . 24 PHE HZ 1 1 4 1920 1 1 24 PHE N N -10.789 3.629 0.884 1.00 . A A . 24 PHE N 1 1 4 1921 1 1 24 PHE O O -11.849 1.095 1.078 1.00 . A A . 24 PHE O 1 1 4 1922 1 1 25 GLY C C -11.528 -0.486 3.981 1.00 . A A . 25 GLY C 1 1 4 1923 1 1 25 GLY CA C -12.803 0.155 3.473 1.00 . A A . 25 GLY CA 1 1 4 1924 1 1 25 GLY H H -12.812 2.244 3.808 1.00 . A A . 25 GLY H 1 1 4 1925 1 1 25 GLY HA2 H -13.562 0.078 4.235 1.00 . A A . 25 GLY HA2 1 1 4 1926 1 1 25 GLY HA3 H -13.134 -0.374 2.593 1.00 . A A . 25 GLY HA3 1 1 4 1927 1 1 25 GLY N N -12.609 1.552 3.143 1.00 . A A . 25 GLY N 1 1 4 1928 1 1 25 GLY O O -11.195 -1.616 3.621 1.00 . A A . 25 GLY O 1 1 4 1929 1 1 26 PHE C C -8.655 -0.818 4.333 1.00 . A A . 26 PHE C 1 1 4 1930 1 1 26 PHE CA C -9.563 -0.227 5.405 1.00 . A A . 26 PHE CA 1 1 4 1931 1 1 26 PHE CB C -9.839 -1.265 6.497 1.00 . A A . 26 PHE CB 1 1 4 1932 1 1 26 PHE CD1 C -7.673 -0.783 7.676 1.00 . A A . 26 PHE CD1 1 1 4 1933 1 1 26 PHE CD2 C -8.377 -3.053 7.488 1.00 . A A . 26 PHE CD2 1 1 4 1934 1 1 26 PHE CE1 C -6.538 -1.186 8.353 1.00 . A A . 26 PHE CE1 1 1 4 1935 1 1 26 PHE CE2 C -7.245 -3.461 8.165 1.00 . A A . 26 PHE CE2 1 1 4 1936 1 1 26 PHE CG C -8.604 -1.710 7.236 1.00 . A A . 26 PHE CG 1 1 4 1937 1 1 26 PHE CZ C -6.324 -2.527 8.598 1.00 . A A . 26 PHE CZ 1 1 4 1938 1 1 26 PHE H H -11.140 1.141 5.065 1.00 . A A . 26 PHE H 1 1 4 1939 1 1 26 PHE HA H -9.066 0.621 5.847 1.00 . A A . 26 PHE HA 1 1 4 1940 1 1 26 PHE HB2 H -10.520 -0.843 7.218 1.00 . A A . 26 PHE HB2 1 1 4 1941 1 1 26 PHE HB3 H -10.293 -2.138 6.049 1.00 . A A . 26 PHE HB3 1 1 4 1942 1 1 26 PHE HD1 H -7.839 0.264 7.484 1.00 . A A . 26 PHE HD1 1 1 4 1943 1 1 26 PHE HD2 H -9.095 -3.784 7.150 1.00 . A A . 26 PHE HD2 1 1 4 1944 1 1 26 PHE HE1 H -5.822 -0.453 8.691 1.00 . A A . 26 PHE HE1 1 1 4 1945 1 1 26 PHE HE2 H -7.078 -4.510 8.356 1.00 . A A . 26 PHE HE2 1 1 4 1946 1 1 26 PHE HZ H -5.438 -2.846 9.127 1.00 . A A . 26 PHE HZ 1 1 4 1947 1 1 26 PHE N N -10.814 0.247 4.824 1.00 . A A . 26 PHE N 1 1 4 1948 1 1 26 PHE O O -7.863 -1.726 4.599 1.00 . A A . 26 PHE O 1 1 4 1949 1 1 27 ARG C C -6.555 -0.122 2.120 1.00 . A A . 27 ARG C 1 1 4 1950 1 1 27 ARG CA C -7.936 -0.756 2.020 1.00 . A A . 27 ARG CA 1 1 4 1951 1 1 27 ARG CB C -8.600 -0.425 0.683 1.00 . A A . 27 ARG CB 1 1 4 1952 1 1 27 ARG CD C -9.417 -2.722 0.213 1.00 . A A . 27 ARG CD 1 1 4 1953 1 1 27 ARG CG C -9.803 -1.272 0.371 1.00 . A A . 27 ARG CG 1 1 4 1954 1 1 27 ARG CZ C -10.603 -4.865 -0.002 1.00 . A A . 27 ARG CZ 1 1 4 1955 1 1 27 ARG H H -9.399 0.437 2.974 1.00 . A A . 27 ARG H 1 1 4 1956 1 1 27 ARG HA H -7.830 -1.827 2.110 1.00 . A A . 27 ARG HA 1 1 4 1957 1 1 27 ARG HB2 H -8.927 0.593 0.700 1.00 . A A . 27 ARG HB2 1 1 4 1958 1 1 27 ARG HB3 H -7.882 -0.554 -0.109 1.00 . A A . 27 ARG HB3 1 1 4 1959 1 1 27 ARG HD2 H -8.710 -2.802 -0.602 1.00 . A A . 27 ARG HD2 1 1 4 1960 1 1 27 ARG HD3 H -8.959 -3.066 1.127 1.00 . A A . 27 ARG HD3 1 1 4 1961 1 1 27 ARG HE H -11.391 -3.058 -0.361 1.00 . A A . 27 ARG HE 1 1 4 1962 1 1 27 ARG HG2 H -10.516 -1.183 1.176 1.00 . A A . 27 ARG HG2 1 1 4 1963 1 1 27 ARG HG3 H -10.246 -0.924 -0.550 1.00 . A A . 27 ARG HG3 1 1 4 1964 1 1 27 ARG HH11 H -8.719 -5.025 0.723 1.00 . A A . 27 ARG HH11 1 1 4 1965 1 1 27 ARG HH12 H -9.558 -6.528 0.497 1.00 . A A . 27 ARG HH12 1 1 4 1966 1 1 27 ARG HH21 H -12.512 -5.033 -0.651 1.00 . A A . 27 ARG HH21 1 1 4 1967 1 1 27 ARG HH22 H -11.718 -6.529 -0.290 1.00 . A A . 27 ARG HH22 1 1 4 1968 1 1 27 ARG N N -8.758 -0.294 3.126 1.00 . A A . 27 ARG N 1 1 4 1969 1 1 27 ARG NE N -10.580 -3.535 -0.077 1.00 . A A . 27 ARG NE 1 1 4 1970 1 1 27 ARG NH1 N -9.540 -5.525 0.440 1.00 . A A . 27 ARG NH1 1 1 4 1971 1 1 27 ARG NH2 N -11.700 -5.528 -0.339 1.00 . A A . 27 ARG NH2 1 1 4 1972 1 1 27 ARG O O -6.114 0.596 1.222 1.00 . A A . 27 ARG O 1 1 4 1973 1 1 28 SER C C -3.650 0.000 2.304 1.00 . A A . 28 SER C 1 1 4 1974 1 1 28 SER CA C -4.573 0.171 3.505 1.00 . A A . 28 SER CA 1 1 4 1975 1 1 28 SER CB C -3.981 -0.515 4.733 1.00 . A A . 28 SER CB 1 1 4 1976 1 1 28 SER H H -6.314 -0.953 3.915 1.00 . A A . 28 SER H 1 1 4 1977 1 1 28 SER HA H -4.688 1.222 3.712 1.00 . A A . 28 SER HA 1 1 4 1978 1 1 28 SER HB2 H -3.637 -1.503 4.464 1.00 . A A . 28 SER HB2 1 1 4 1979 1 1 28 SER HB3 H -3.153 0.068 5.107 1.00 . A A . 28 SER HB3 1 1 4 1980 1 1 28 SER HG H -4.934 0.158 6.311 1.00 . A A . 28 SER HG 1 1 4 1981 1 1 28 SER N N -5.893 -0.379 3.237 1.00 . A A . 28 SER N 1 1 4 1982 1 1 28 SER O O -3.336 -1.116 1.899 1.00 . A A . 28 SER O 1 1 4 1983 1 1 28 SER OG O -4.958 -0.630 5.755 1.00 . A A . 28 SER OG 1 1 4 1984 1 1 29 CYS C C -0.960 0.587 1.039 1.00 . A A . 29 CYS C 1 1 4 1985 1 1 29 CYS CA C -2.321 1.089 0.601 1.00 . A A . 29 CYS CA 1 1 4 1986 1 1 29 CYS CB C -2.241 2.483 -0.021 1.00 . A A . 29 CYS CB 1 1 4 1987 1 1 29 CYS H H -3.485 1.975 2.115 1.00 . A A . 29 CYS H 1 1 4 1988 1 1 29 CYS HA H -2.722 0.401 -0.120 1.00 . A A . 29 CYS HA 1 1 4 1989 1 1 29 CYS HB2 H -1.675 3.132 0.628 1.00 . A A . 29 CYS HB2 1 1 4 1990 1 1 29 CYS HB3 H -1.751 2.418 -0.979 1.00 . A A . 29 CYS HB3 1 1 4 1991 1 1 29 CYS N N -3.211 1.112 1.745 1.00 . A A . 29 CYS N 1 1 4 1992 1 1 29 CYS O O -0.506 0.911 2.133 1.00 . A A . 29 CYS O 1 1 4 1993 1 1 29 CYS SG S -3.886 3.235 -0.282 1.00 . A A . 29 CYS SG 1 1 4 1994 1 1 30 CYS C C 1.911 -0.722 -0.646 1.00 . A A . 30 CYS C 1 1 4 1995 1 1 30 CYS CA C 0.950 -0.824 0.535 1.00 . A A . 30 CYS CA 1 1 4 1996 1 1 30 CYS CB C 0.745 -2.282 0.955 1.00 . A A . 30 CYS CB 1 1 4 1997 1 1 30 CYS H H -0.774 -0.486 -0.631 1.00 . A A . 30 CYS H 1 1 4 1998 1 1 30 CYS HA H 1.365 -0.278 1.365 1.00 . A A . 30 CYS HA 1 1 4 1999 1 1 30 CYS HB2 H 1.701 -2.766 1.035 1.00 . A A . 30 CYS HB2 1 1 4 2000 1 1 30 CYS HB3 H 0.258 -2.304 1.919 1.00 . A A . 30 CYS HB3 1 1 4 2001 1 1 30 CYS N N -0.340 -0.237 0.212 1.00 . A A . 30 CYS N 1 1 4 2002 1 1 30 CYS O O 1.496 -0.791 -1.805 1.00 . A A . 30 CYS O 1 1 4 2003 1 1 30 CYS SG S -0.281 -3.250 -0.205 1.00 . A A . 30 CYS SG 1 1 4 2004 1 1 31 LYS C C 5.506 -1.093 -0.899 1.00 . A A . 31 LYS C 1 1 4 2005 1 1 31 LYS CA C 4.226 -0.416 -1.360 1.00 . A A . 31 LYS CA 1 1 4 2006 1 1 31 LYS CB C 4.490 1.055 -1.675 1.00 . A A . 31 LYS CB 1 1 4 2007 1 1 31 LYS CD C 6.861 1.857 -1.989 1.00 . A A . 31 LYS CD 1 1 4 2008 1 1 31 LYS CE C 6.658 3.300 -1.546 1.00 . A A . 31 LYS CE 1 1 4 2009 1 1 31 LYS CG C 5.621 1.293 -2.666 1.00 . A A . 31 LYS CG 1 1 4 2010 1 1 31 LYS H H 3.454 -0.486 0.601 1.00 . A A . 31 LYS H 1 1 4 2011 1 1 31 LYS HA H 3.875 -0.910 -2.253 1.00 . A A . 31 LYS HA 1 1 4 2012 1 1 31 LYS HB2 H 3.594 1.476 -2.087 1.00 . A A . 31 LYS HB2 1 1 4 2013 1 1 31 LYS HB3 H 4.730 1.568 -0.756 1.00 . A A . 31 LYS HB3 1 1 4 2014 1 1 31 LYS HD2 H 7.084 1.259 -1.122 1.00 . A A . 31 LYS HD2 1 1 4 2015 1 1 31 LYS HD3 H 7.688 1.816 -2.682 1.00 . A A . 31 LYS HD3 1 1 4 2016 1 1 31 LYS HE2 H 6.380 3.892 -2.405 1.00 . A A . 31 LYS HE2 1 1 4 2017 1 1 31 LYS HE3 H 5.862 3.332 -0.817 1.00 . A A . 31 LYS HE3 1 1 4 2018 1 1 31 LYS HG2 H 5.877 0.356 -3.137 1.00 . A A . 31 LYS HG2 1 1 4 2019 1 1 31 LYS HG3 H 5.283 1.993 -3.418 1.00 . A A . 31 LYS HG3 1 1 4 2020 1 1 31 LYS HZ1 H 8.719 3.618 -1.514 1.00 . A A . 31 LYS HZ1 1 1 4 2021 1 1 31 LYS HZ2 H 8.022 3.504 0.019 1.00 . A A . 31 LYS HZ2 1 1 4 2022 1 1 31 LYS HZ3 H 7.823 4.904 -0.899 1.00 . A A . 31 LYS HZ3 1 1 4 2023 1 1 31 LYS N N 3.193 -0.543 -0.343 1.00 . A A . 31 LYS N 1 1 4 2024 1 1 31 LYS NZ N 7.889 3.870 -0.943 1.00 . A A . 31 LYS NZ 1 1 4 2025 1 1 31 LYS O O 5.836 -1.083 0.287 1.00 . A A . 31 LYS O 1 1 4 2026 1 1 32 TRP C C 8.383 -1.550 -0.729 1.00 . A A . 32 TRP C 1 1 4 2027 1 1 32 TRP CA C 7.437 -2.416 -1.556 1.00 . A A . 32 TRP CA 1 1 4 2028 1 1 32 TRP CB C 8.130 -2.842 -2.852 1.00 . A A . 32 TRP CB 1 1 4 2029 1 1 32 TRP CD1 C 6.220 -3.155 -4.534 1.00 . A A . 32 TRP CD1 1 1 4 2030 1 1 32 TRP CD2 C 7.311 -5.038 -4.016 1.00 . A A . 32 TRP CD2 1 1 4 2031 1 1 32 TRP CE2 C 6.300 -5.347 -4.944 1.00 . A A . 32 TRP CE2 1 1 4 2032 1 1 32 TRP CE3 C 8.129 -6.066 -3.544 1.00 . A A . 32 TRP CE3 1 1 4 2033 1 1 32 TRP CG C 7.249 -3.630 -3.772 1.00 . A A . 32 TRP CG 1 1 4 2034 1 1 32 TRP CH2 C 6.900 -7.629 -4.927 1.00 . A A . 32 TRP CH2 1 1 4 2035 1 1 32 TRP CZ2 C 6.084 -6.642 -5.406 1.00 . A A . 32 TRP CZ2 1 1 4 2036 1 1 32 TRP CZ3 C 7.915 -7.351 -4.003 1.00 . A A . 32 TRP CZ3 1 1 4 2037 1 1 32 TRP H H 5.861 -1.679 -2.760 1.00 . A A . 32 TRP H 1 1 4 2038 1 1 32 TRP HA H 7.183 -3.296 -0.988 1.00 . A A . 32 TRP HA 1 1 4 2039 1 1 32 TRP HB2 H 8.463 -1.964 -3.382 1.00 . A A . 32 TRP HB2 1 1 4 2040 1 1 32 TRP HB3 H 8.986 -3.453 -2.607 1.00 . A A . 32 TRP HB3 1 1 4 2041 1 1 32 TRP HD1 H 5.916 -2.120 -4.570 1.00 . A A . 32 TRP HD1 1 1 4 2042 1 1 32 TRP HE1 H 4.896 -4.088 -5.870 1.00 . A A . 32 TRP HE1 1 1 4 2043 1 1 32 TRP HE3 H 8.917 -5.870 -2.831 1.00 . A A . 32 TRP HE3 1 1 4 2044 1 1 32 TRP HH2 H 6.767 -8.648 -5.257 1.00 . A A . 32 TRP HH2 1 1 4 2045 1 1 32 TRP HZ2 H 5.305 -6.872 -6.118 1.00 . A A . 32 TRP HZ2 1 1 4 2046 1 1 32 TRP HZ3 H 8.538 -8.157 -3.648 1.00 . A A . 32 TRP HZ3 1 1 4 2047 1 1 32 TRP N N 6.200 -1.701 -1.844 1.00 . A A . 32 TRP N 1 1 4 2048 1 1 32 TRP NE1 N 5.649 -4.180 -5.245 1.00 . A A . 32 TRP NE1 1 1 4 2049 1 1 32 TRP O O 8.557 -0.366 -1.015 1.00 . A A . 32 TRP O 1 1 4 2050 1 1 33 PRO C C 11.030 -0.702 0.342 1.00 . A A . 33 PRO C 1 1 4 2051 1 1 33 PRO CA C 9.937 -1.381 1.161 1.00 . A A . 33 PRO CA 1 1 4 2052 1 1 33 PRO CB C 10.534 -2.457 2.074 1.00 . A A . 33 PRO CB 1 1 4 2053 1 1 33 PRO CD C 8.873 -3.531 0.726 1.00 . A A . 33 PRO CD 1 1 4 2054 1 1 33 PRO CG C 9.526 -3.554 2.081 1.00 . A A . 33 PRO CG 1 1 4 2055 1 1 33 PRO HA H 9.421 -0.642 1.757 1.00 . A A . 33 PRO HA 1 1 4 2056 1 1 33 PRO HB2 H 11.480 -2.791 1.673 1.00 . A A . 33 PRO HB2 1 1 4 2057 1 1 33 PRO HB3 H 10.681 -2.052 3.063 1.00 . A A . 33 PRO HB3 1 1 4 2058 1 1 33 PRO HD2 H 9.391 -4.189 0.045 1.00 . A A . 33 PRO HD2 1 1 4 2059 1 1 33 PRO HD3 H 7.833 -3.808 0.806 1.00 . A A . 33 PRO HD3 1 1 4 2060 1 1 33 PRO HG2 H 10.016 -4.502 2.245 1.00 . A A . 33 PRO HG2 1 1 4 2061 1 1 33 PRO HG3 H 8.795 -3.373 2.853 1.00 . A A . 33 PRO HG3 1 1 4 2062 1 1 33 PRO N N 9.011 -2.124 0.307 1.00 . A A . 33 PRO N 1 1 4 2063 1 1 33 PRO O O 11.271 0.502 0.476 1.00 . A A . 33 PRO O 1 1 4 2064 1 1 34 TRP C C 12.165 -0.281 -2.597 1.00 . A A . 34 TRP C 1 1 4 2065 1 1 34 TRP CA C 12.740 -0.957 -1.360 1.00 . A A . 34 TRP CA 1 1 4 2066 1 1 34 TRP CB C 13.700 -2.073 -1.776 1.00 . A A . 34 TRP CB 1 1 4 2067 1 1 34 TRP CD1 C 15.441 -2.780 -0.087 1.00 . A A . 34 TRP CD1 1 1 4 2068 1 1 34 TRP CD2 C 13.527 -3.914 0.089 1.00 . A A . 34 TRP CD2 1 1 4 2069 1 1 34 TRP CE2 C 14.414 -4.377 1.077 1.00 . A A . 34 TRP CE2 1 1 4 2070 1 1 34 TRP CE3 C 12.254 -4.491 0.005 1.00 . A A . 34 TRP CE3 1 1 4 2071 1 1 34 TRP CG C 14.210 -2.878 -0.632 1.00 . A A . 34 TRP CG 1 1 4 2072 1 1 34 TRP CH2 C 12.824 -5.929 1.869 1.00 . A A . 34 TRP CH2 1 1 4 2073 1 1 34 TRP CZ2 C 14.072 -5.383 1.973 1.00 . A A . 34 TRP CZ2 1 1 4 2074 1 1 34 TRP CZ3 C 11.919 -5.493 0.895 1.00 . A A . 34 TRP CZ3 1 1 4 2075 1 1 34 TRP H H 11.435 -2.419 -0.583 1.00 . A A . 34 TRP H 1 1 4 2076 1 1 34 TRP HA H 13.287 -0.222 -0.788 1.00 . A A . 34 TRP HA 1 1 4 2077 1 1 34 TRP HB2 H 13.209 -2.741 -2.449 1.00 . A A . 34 TRP HB2 1 1 4 2078 1 1 34 TRP HB3 H 14.551 -1.635 -2.276 1.00 . A A . 34 TRP HB3 1 1 4 2079 1 1 34 TRP HD1 H 16.186 -2.088 -0.430 1.00 . A A . 34 TRP HD1 1 1 4 2080 1 1 34 TRP HE1 H 16.377 -3.774 1.508 1.00 . A A . 34 TRP HE1 1 1 4 2081 1 1 34 TRP HE3 H 11.543 -4.173 -0.742 1.00 . A A . 34 TRP HE3 1 1 4 2082 1 1 34 TRP HH2 H 12.520 -6.715 2.542 1.00 . A A . 34 TRP HH2 1 1 4 2083 1 1 34 TRP HZ2 H 14.759 -5.729 2.731 1.00 . A A . 34 TRP HZ2 1 1 4 2084 1 1 34 TRP HZ3 H 10.941 -5.952 0.845 1.00 . A A . 34 TRP HZ3 1 1 4 2085 1 1 34 TRP N N 11.679 -1.477 -0.516 1.00 . A A . 34 TRP N 1 1 4 2086 1 1 34 TRP NE1 N 15.575 -3.666 0.949 1.00 . A A . 34 TRP NE1 1 1 4 2087 1 1 34 TRP O O 12.486 0.870 -2.891 1.00 . A A . 34 TRP O 1 1 4 2088 1 1 35 ASN C C 11.820 0.053 -5.459 1.00 . A A . 35 ASN C 1 1 4 2089 1 1 35 ASN CA C 10.719 -0.469 -4.541 1.00 . A A . 35 ASN CA 1 1 4 2090 1 1 35 ASN CB C 9.718 0.647 -4.203 1.00 . A A . 35 ASN CB 1 1 4 2091 1 1 35 ASN CG C 8.882 1.084 -5.399 1.00 . A A . 35 ASN CG 1 1 4 2092 1 1 35 ASN H H 11.112 -1.920 -3.049 1.00 . A A . 35 ASN H 1 1 4 2093 1 1 35 ASN HA H 10.201 -1.275 -5.040 1.00 . A A . 35 ASN HA 1 1 4 2094 1 1 35 ASN HB2 H 9.049 0.294 -3.434 1.00 . A A . 35 ASN HB2 1 1 4 2095 1 1 35 ASN HB3 H 10.260 1.506 -3.834 1.00 . A A . 35 ASN HB3 1 1 4 2096 1 1 35 ASN HD21 H 7.225 0.476 -4.496 1.00 . A A . 35 ASN HD21 1 1 4 2097 1 1 35 ASN HD22 H 7.014 1.165 -6.067 1.00 . A A . 35 ASN HD22 1 1 4 2098 1 1 35 ASN N N 11.323 -1.003 -3.327 1.00 . A A . 35 ASN N 1 1 4 2099 1 1 35 ASN ND2 N 7.576 0.887 -5.310 1.00 . A A . 35 ASN ND2 1 1 4 2100 1 1 35 ASN O O 11.741 1.155 -5.999 1.00 . A A . 35 ASN O 1 1 4 2101 1 1 35 ASN OD1 O 9.397 1.597 -6.391 1.00 . A A . 35 ASN OD1 1 1 4 2102 1 1 36 ALA C C 15.032 -1.498 -6.425 1.00 . A A . 36 ALA C 1 1 4 2103 1 1 36 ALA CA C 14.001 -0.382 -6.435 1.00 . A A . 36 ALA CA 1 1 4 2104 1 1 36 ALA CB C 14.624 0.918 -5.946 1.00 . A A . 36 ALA CB 1 1 4 2105 1 1 36 ALA H H 12.880 -1.604 -5.135 1.00 . A A . 36 ALA H 1 1 4 2106 1 1 36 ALA HA H 13.649 -0.234 -7.445 1.00 . A A . 36 ALA HA 1 1 4 2107 1 1 36 ALA HB1 H 14.077 1.755 -6.355 1.00 . A A . 36 ALA HB1 1 1 4 2108 1 1 36 ALA HB2 H 15.653 0.969 -6.270 1.00 . A A . 36 ALA HB2 1 1 4 2109 1 1 36 ALA HB3 H 14.584 0.953 -4.868 1.00 . A A . 36 ALA HB3 1 1 4 2110 1 1 36 ALA N N 12.864 -0.746 -5.607 1.00 . A A . 36 ALA N 1 1 4 2111 1 1 36 ALA O O 15.923 -1.499 -7.295 1.00 . A A . 36 ALA O 1 1 4 2112 1 1 36 ALA OXT O 14.950 -2.373 -5.538 1.00 . A A . 36 ALA OXT 1 1 5 2113 1 1 1 LEU C C 1.310 0.372 -7.616 1.00 . A A . 1 LEU C 1 1 5 2114 1 1 1 LEU CA C 2.362 0.122 -6.542 1.00 . A A . 1 LEU CA 1 1 5 2115 1 1 1 LEU CB C 3.430 1.224 -6.544 1.00 . A A . 1 LEU CB 1 1 5 2116 1 1 1 LEU CD1 C 5.175 -0.124 -5.324 1.00 . A A . 1 LEU CD1 1 1 5 2117 1 1 1 LEU CD2 C 5.386 2.365 -5.461 1.00 . A A . 1 LEU CD2 1 1 5 2118 1 1 1 LEU CG C 4.416 1.195 -5.364 1.00 . A A . 1 LEU CG 1 1 5 2119 1 1 1 LEU H1 H 3.987 -1.054 -7.100 1.00 . A A . 1 LEU H1 1 1 5 2120 1 1 1 LEU H2 H 2.490 -1.719 -7.494 1.00 . A A . 1 LEU H2 1 1 5 2121 1 1 1 LEU H3 H 3.025 -1.743 -5.895 1.00 . A A . 1 LEU H3 1 1 5 2122 1 1 1 LEU HA H 1.877 0.097 -5.578 1.00 . A A . 1 LEU HA 1 1 5 2123 1 1 1 LEU HB2 H 3.997 1.143 -7.459 1.00 . A A . 1 LEU HB2 1 1 5 2124 1 1 1 LEU HB3 H 2.930 2.177 -6.537 1.00 . A A . 1 LEU HB3 1 1 5 2125 1 1 1 LEU HD11 H 5.498 -0.386 -6.321 1.00 . A A . 1 LEU HD11 1 1 5 2126 1 1 1 LEU HD12 H 4.530 -0.899 -4.938 1.00 . A A . 1 LEU HD12 1 1 5 2127 1 1 1 LEU HD13 H 6.036 -0.023 -4.682 1.00 . A A . 1 LEU HD13 1 1 5 2128 1 1 1 LEU HD21 H 6.264 2.155 -4.869 1.00 . A A . 1 LEU HD21 1 1 5 2129 1 1 1 LEU HD22 H 4.907 3.258 -5.092 1.00 . A A . 1 LEU HD22 1 1 5 2130 1 1 1 LEU HD23 H 5.674 2.510 -6.492 1.00 . A A . 1 LEU HD23 1 1 5 2131 1 1 1 LEU HG H 3.868 1.295 -4.433 1.00 . A A . 1 LEU HG 1 1 5 2132 1 1 1 LEU N N 3.013 -1.188 -6.770 1.00 . A A . 1 LEU N 1 1 5 2133 1 1 1 LEU O O 1.312 -0.287 -8.657 1.00 . A A . 1 LEU O 1 1 5 2134 1 1 2 PHE C C -1.489 2.799 -7.801 1.00 . A A . 2 PHE C 1 1 5 2135 1 1 2 PHE CA C -0.662 1.622 -8.297 1.00 . A A . 2 PHE CA 1 1 5 2136 1 1 2 PHE CB C -1.562 0.396 -8.496 1.00 . A A . 2 PHE CB 1 1 5 2137 1 1 2 PHE CD1 C -2.676 1.239 -10.586 1.00 . A A . 2 PHE CD1 1 1 5 2138 1 1 2 PHE CD2 C -4.044 0.322 -8.862 1.00 . A A . 2 PHE CD2 1 1 5 2139 1 1 2 PHE CE1 C -3.800 1.478 -11.353 1.00 . A A . 2 PHE CE1 1 1 5 2140 1 1 2 PHE CE2 C -5.171 0.559 -9.625 1.00 . A A . 2 PHE CE2 1 1 5 2141 1 1 2 PHE CG C -2.785 0.658 -9.332 1.00 . A A . 2 PHE CG 1 1 5 2142 1 1 2 PHE CZ C -5.048 1.138 -10.871 1.00 . A A . 2 PHE CZ 1 1 5 2143 1 1 2 PHE H H 0.449 1.794 -6.509 1.00 . A A . 2 PHE H 1 1 5 2144 1 1 2 PHE HA H -0.214 1.884 -9.231 1.00 . A A . 2 PHE HA 1 1 5 2145 1 1 2 PHE HB2 H -0.994 -0.381 -8.984 1.00 . A A . 2 PHE HB2 1 1 5 2146 1 1 2 PHE HB3 H -1.890 0.041 -7.530 1.00 . A A . 2 PHE HB3 1 1 5 2147 1 1 2 PHE HD1 H -1.700 1.503 -10.964 1.00 . A A . 2 PHE HD1 1 1 5 2148 1 1 2 PHE HD2 H -4.141 -0.131 -7.886 1.00 . A A . 2 PHE HD2 1 1 5 2149 1 1 2 PHE HE1 H -3.701 1.932 -12.329 1.00 . A A . 2 PHE HE1 1 1 5 2150 1 1 2 PHE HE2 H -6.145 0.292 -9.245 1.00 . A A . 2 PHE HE2 1 1 5 2151 1 1 2 PHE HZ H -5.928 1.323 -11.468 1.00 . A A . 2 PHE HZ 1 1 5 2152 1 1 2 PHE N N 0.404 1.305 -7.358 1.00 . A A . 2 PHE N 1 1 5 2153 1 1 2 PHE O O -1.696 3.782 -8.516 1.00 . A A . 2 PHE O 1 1 5 2154 1 1 3 CYS C C -1.881 4.843 -5.399 1.00 . A A . 3 CYS C 1 1 5 2155 1 1 3 CYS CA C -2.765 3.723 -5.950 1.00 . A A . 3 CYS CA 1 1 5 2156 1 1 3 CYS CB C -3.637 3.114 -4.845 1.00 . A A . 3 CYS CB 1 1 5 2157 1 1 3 CYS H H -1.742 1.874 -6.072 1.00 . A A . 3 CYS H 1 1 5 2158 1 1 3 CYS HA H -3.408 4.138 -6.711 1.00 . A A . 3 CYS HA 1 1 5 2159 1 1 3 CYS HB2 H -4.155 3.907 -4.327 1.00 . A A . 3 CYS HB2 1 1 5 2160 1 1 3 CYS HB3 H -4.363 2.455 -5.297 1.00 . A A . 3 CYS HB3 1 1 5 2161 1 1 3 CYS N N -1.954 2.685 -6.575 1.00 . A A . 3 CYS N 1 1 5 2162 1 1 3 CYS O O -0.963 5.308 -6.079 1.00 . A A . 3 CYS O 1 1 5 2163 1 1 3 CYS SG S -2.712 2.150 -3.603 1.00 . A A . 3 CYS SG 1 1 5 2164 1 1 4 LYS C C 0.019 5.865 -3.196 1.00 . A A . 4 LYS C 1 1 5 2165 1 1 4 LYS CA C -1.391 6.338 -3.539 1.00 . A A . 4 LYS CA 1 1 5 2166 1 1 4 LYS CB C -2.113 6.831 -2.286 1.00 . A A . 4 LYS CB 1 1 5 2167 1 1 4 LYS CD C -4.080 8.073 -1.326 1.00 . A A . 4 LYS CD 1 1 5 2168 1 1 4 LYS CE C -5.311 8.906 -1.649 1.00 . A A . 4 LYS CE 1 1 5 2169 1 1 4 LYS CG C -3.428 7.532 -2.588 1.00 . A A . 4 LYS CG 1 1 5 2170 1 1 4 LYS H H -2.896 4.873 -3.677 1.00 . A A . 4 LYS H 1 1 5 2171 1 1 4 LYS HA H -1.319 7.154 -4.242 1.00 . A A . 4 LYS HA 1 1 5 2172 1 1 4 LYS HB2 H -2.317 5.986 -1.644 1.00 . A A . 4 LYS HB2 1 1 5 2173 1 1 4 LYS HB3 H -1.473 7.523 -1.764 1.00 . A A . 4 LYS HB3 1 1 5 2174 1 1 4 LYS HD2 H -4.373 7.246 -0.698 1.00 . A A . 4 LYS HD2 1 1 5 2175 1 1 4 LYS HD3 H -3.367 8.692 -0.801 1.00 . A A . 4 LYS HD3 1 1 5 2176 1 1 4 LYS HE2 H -5.717 9.298 -0.730 1.00 . A A . 4 LYS HE2 1 1 5 2177 1 1 4 LYS HE3 H -5.016 9.726 -2.289 1.00 . A A . 4 LYS HE3 1 1 5 2178 1 1 4 LYS HG2 H -3.240 8.352 -3.263 1.00 . A A . 4 LYS HG2 1 1 5 2179 1 1 4 LYS HG3 H -4.099 6.826 -3.054 1.00 . A A . 4 LYS HG3 1 1 5 2180 1 1 4 LYS HZ1 H -6.001 7.162 -2.564 1.00 . A A . 4 LYS HZ1 1 1 5 2181 1 1 4 LYS HZ2 H -6.639 8.579 -3.223 1.00 . A A . 4 LYS HZ2 1 1 5 2182 1 1 4 LYS HZ3 H -7.196 8.018 -1.731 1.00 . A A . 4 LYS HZ3 1 1 5 2183 1 1 4 LYS N N -2.156 5.277 -4.173 1.00 . A A . 4 LYS N 1 1 5 2184 1 1 4 LYS NZ N -6.359 8.110 -2.340 1.00 . A A . 4 LYS NZ 1 1 5 2185 1 1 4 LYS O O 0.340 5.621 -2.031 1.00 . A A . 4 LYS O 1 1 5 2186 1 1 5 GLY C C 2.270 3.899 -3.430 1.00 . A A . 5 GLY C 1 1 5 2187 1 1 5 GLY CA C 2.213 5.290 -4.017 1.00 . A A . 5 GLY CA 1 1 5 2188 1 1 5 GLY H H 0.533 5.941 -5.123 1.00 . A A . 5 GLY H 1 1 5 2189 1 1 5 GLY HA2 H 2.727 5.292 -4.966 1.00 . A A . 5 GLY HA2 1 1 5 2190 1 1 5 GLY HA3 H 2.710 5.972 -3.348 1.00 . A A . 5 GLY HA3 1 1 5 2191 1 1 5 GLY N N 0.849 5.734 -4.218 1.00 . A A . 5 GLY N 1 1 5 2192 1 1 5 GLY O O 3.144 3.586 -2.628 1.00 . A A . 5 GLY O 1 1 5 2193 1 1 6 GLY C C 0.094 0.962 -3.939 1.00 . A A . 6 GLY C 1 1 5 2194 1 1 6 GLY CA C 1.273 1.700 -3.357 1.00 . A A . 6 GLY CA 1 1 5 2195 1 1 6 GLY H H 0.665 3.376 -4.490 1.00 . A A . 6 GLY H 1 1 5 2196 1 1 6 GLY HA2 H 2.181 1.187 -3.629 1.00 . A A . 6 GLY HA2 1 1 5 2197 1 1 6 GLY HA3 H 1.183 1.712 -2.281 1.00 . A A . 6 GLY HA3 1 1 5 2198 1 1 6 GLY N N 1.331 3.063 -3.840 1.00 . A A . 6 GLY N 1 1 5 2199 1 1 6 GLY O O -0.378 1.308 -5.019 1.00 . A A . 6 GLY O 1 1 5 2200 1 1 7 SER C C -2.499 -1.006 -2.530 1.00 . A A . 7 SER C 1 1 5 2201 1 1 7 SER CA C -1.539 -0.802 -3.687 1.00 . A A . 7 SER CA 1 1 5 2202 1 1 7 SER CB C -1.085 -2.145 -4.258 1.00 . A A . 7 SER CB 1 1 5 2203 1 1 7 SER H H 0.016 -0.255 -2.368 1.00 . A A . 7 SER H 1 1 5 2204 1 1 7 SER HA H -2.036 -0.237 -4.460 1.00 . A A . 7 SER HA 1 1 5 2205 1 1 7 SER HB2 H -0.328 -1.976 -5.007 1.00 . A A . 7 SER HB2 1 1 5 2206 1 1 7 SER HB3 H -0.675 -2.749 -3.463 1.00 . A A . 7 SER HB3 1 1 5 2207 1 1 7 SER HG H -2.539 -3.463 -4.212 1.00 . A A . 7 SER HG 1 1 5 2208 1 1 7 SER N N -0.395 -0.033 -3.229 1.00 . A A . 7 SER N 1 1 5 2209 1 1 7 SER O O -2.128 -1.556 -1.495 1.00 . A A . 7 SER O 1 1 5 2210 1 1 7 SER OG O -2.165 -2.846 -4.855 1.00 . A A . 7 SER OG 1 1 5 2211 1 1 8 CYS C C -4.910 -2.072 -1.210 1.00 . A A . 8 CYS C 1 1 5 2212 1 1 8 CYS CA C -4.735 -0.631 -1.674 1.00 . A A . 8 CYS CA 1 1 5 2213 1 1 8 CYS CB C -6.049 -0.075 -2.213 1.00 . A A . 8 CYS CB 1 1 5 2214 1 1 8 CYS H H -3.939 -0.086 -3.545 1.00 . A A . 8 CYS H 1 1 5 2215 1 1 8 CYS HA H -4.417 -0.033 -0.832 1.00 . A A . 8 CYS HA 1 1 5 2216 1 1 8 CYS HB2 H -6.559 -0.839 -2.769 1.00 . A A . 8 CYS HB2 1 1 5 2217 1 1 8 CYS HB3 H -6.666 0.236 -1.387 1.00 . A A . 8 CYS HB3 1 1 5 2218 1 1 8 CYS N N -3.718 -0.534 -2.703 1.00 . A A . 8 CYS N 1 1 5 2219 1 1 8 CYS O O -4.983 -2.992 -2.021 1.00 . A A . 8 CYS O 1 1 5 2220 1 1 8 CYS SG S -5.830 1.362 -3.313 1.00 . A A . 8 CYS SG 1 1 5 2221 1 1 9 HIS C C -6.505 -4.129 0.523 1.00 . A A . 9 HIS C 1 1 5 2222 1 1 9 HIS CA C -5.100 -3.556 0.730 1.00 . A A . 9 HIS CA 1 1 5 2223 1 1 9 HIS CB C -4.784 -3.439 2.225 1.00 . A A . 9 HIS CB 1 1 5 2224 1 1 9 HIS CD2 C -2.285 -3.736 2.835 1.00 . A A . 9 HIS CD2 1 1 5 2225 1 1 9 HIS CE1 C -2.315 -5.877 3.293 1.00 . A A . 9 HIS CE1 1 1 5 2226 1 1 9 HIS CG C -3.551 -4.172 2.651 1.00 . A A . 9 HIS CG 1 1 5 2227 1 1 9 HIS H H -4.868 -1.461 0.682 1.00 . A A . 9 HIS H 1 1 5 2228 1 1 9 HIS HA H -4.384 -4.222 0.276 1.00 . A A . 9 HIS HA 1 1 5 2229 1 1 9 HIS HB2 H -4.643 -2.399 2.471 1.00 . A A . 9 HIS HB2 1 1 5 2230 1 1 9 HIS HB3 H -5.612 -3.826 2.795 1.00 . A A . 9 HIS HB3 1 1 5 2231 1 1 9 HIS HD1 H -4.311 -6.122 2.908 1.00 . A A . 9 HIS HD1 1 1 5 2232 1 1 9 HIS HD2 H -1.921 -2.731 2.660 1.00 . A A . 9 HIS HD2 1 1 5 2233 1 1 9 HIS HE1 H -2.007 -6.872 3.576 1.00 . A A . 9 HIS HE1 1 1 5 2234 1 1 9 HIS HE2 H -0.641 -4.758 3.637 1.00 . A A . 9 HIS HE2 1 1 5 2235 1 1 9 HIS N N -4.954 -2.247 0.103 1.00 . A A . 9 HIS N 1 1 5 2236 1 1 9 HIS ND1 N -3.536 -5.519 2.942 1.00 . A A . 9 HIS ND1 1 1 5 2237 1 1 9 HIS NE2 N -1.535 -4.814 3.237 1.00 . A A . 9 HIS NE2 1 1 5 2238 1 1 9 HIS O O -7.188 -4.490 1.480 1.00 . A A . 9 HIS O 1 1 5 2239 1 1 10 PHE C C -8.183 -6.311 -1.013 1.00 . A A . 10 PHE C 1 1 5 2240 1 1 10 PHE CA C -8.236 -4.788 -1.045 1.00 . A A . 10 PHE CA 1 1 5 2241 1 1 10 PHE CB C -8.726 -4.278 -2.406 1.00 . A A . 10 PHE CB 1 1 5 2242 1 1 10 PHE CD1 C -6.793 -5.045 -3.814 1.00 . A A . 10 PHE CD1 1 1 5 2243 1 1 10 PHE CD2 C -7.426 -2.750 -3.894 1.00 . A A . 10 PHE CD2 1 1 5 2244 1 1 10 PHE CE1 C -5.778 -4.797 -4.720 1.00 . A A . 10 PHE CE1 1 1 5 2245 1 1 10 PHE CE2 C -6.415 -2.496 -4.798 1.00 . A A . 10 PHE CE2 1 1 5 2246 1 1 10 PHE CG C -7.627 -4.023 -3.394 1.00 . A A . 10 PHE CG 1 1 5 2247 1 1 10 PHE CZ C -5.589 -3.519 -5.211 1.00 . A A . 10 PHE CZ 1 1 5 2248 1 1 10 PHE H H -6.334 -3.956 -1.454 1.00 . A A . 10 PHE H 1 1 5 2249 1 1 10 PHE HA H -8.924 -4.455 -0.284 1.00 . A A . 10 PHE HA 1 1 5 2250 1 1 10 PHE HB2 H -9.394 -5.008 -2.838 1.00 . A A . 10 PHE HB2 1 1 5 2251 1 1 10 PHE HB3 H -9.263 -3.354 -2.261 1.00 . A A . 10 PHE HB3 1 1 5 2252 1 1 10 PHE HD1 H -6.943 -6.043 -3.430 1.00 . A A . 10 PHE HD1 1 1 5 2253 1 1 10 PHE HD2 H -8.072 -1.948 -3.569 1.00 . A A . 10 PHE HD2 1 1 5 2254 1 1 10 PHE HE1 H -5.134 -5.600 -5.042 1.00 . A A . 10 PHE HE1 1 1 5 2255 1 1 10 PHE HE2 H -6.270 -1.495 -5.180 1.00 . A A . 10 PHE HE2 1 1 5 2256 1 1 10 PHE HZ H -4.796 -3.321 -5.914 1.00 . A A . 10 PHE HZ 1 1 5 2257 1 1 10 PHE N N -6.927 -4.233 -0.725 1.00 . A A . 10 PHE N 1 1 5 2258 1 1 10 PHE O O -8.764 -6.990 -1.861 1.00 . A A . 10 PHE O 1 1 5 2259 1 1 11 GLY C C -6.007 -8.635 0.739 1.00 . A A . 11 GLY C 1 1 5 2260 1 1 11 GLY CA C -7.341 -8.268 0.128 1.00 . A A . 11 GLY CA 1 1 5 2261 1 1 11 GLY H H -7.039 -6.235 0.620 1.00 . A A . 11 GLY H 1 1 5 2262 1 1 11 GLY HA2 H -8.134 -8.631 0.767 1.00 . A A . 11 GLY HA2 1 1 5 2263 1 1 11 GLY HA3 H -7.424 -8.738 -0.840 1.00 . A A . 11 GLY HA3 1 1 5 2264 1 1 11 GLY N N -7.477 -6.834 -0.023 1.00 . A A . 11 GLY N 1 1 5 2265 1 1 11 GLY O O -5.932 -9.443 1.666 1.00 . A A . 11 GLY O 1 1 5 2266 1 1 12 GLY C C -2.583 -7.412 0.034 1.00 . A A . 12 GLY C 1 1 5 2267 1 1 12 GLY CA C -3.616 -8.285 0.714 1.00 . A A . 12 GLY CA 1 1 5 2268 1 1 12 GLY H H -5.084 -7.392 -0.517 1.00 . A A . 12 GLY H 1 1 5 2269 1 1 12 GLY HA2 H -3.593 -8.094 1.777 1.00 . A A . 12 GLY HA2 1 1 5 2270 1 1 12 GLY HA3 H -3.368 -9.321 0.538 1.00 . A A . 12 GLY HA3 1 1 5 2271 1 1 12 GLY N N -4.952 -8.028 0.218 1.00 . A A . 12 GLY N 1 1 5 2272 1 1 12 GLY O O -2.818 -6.223 -0.182 1.00 . A A . 12 GLY O 1 1 5 2273 1 1 13 CYS C C 0.857 -8.204 -1.100 1.00 . A A . 13 CYS C 1 1 5 2274 1 1 13 CYS CA C -0.363 -7.291 -0.966 1.00 . A A . 13 CYS CA 1 1 5 2275 1 1 13 CYS CB C -0.003 -6.009 -0.198 1.00 . A A . 13 CYS CB 1 1 5 2276 1 1 13 CYS H H -1.329 -8.954 -0.105 1.00 . A A . 13 CYS H 1 1 5 2277 1 1 13 CYS HA H -0.705 -7.023 -1.953 1.00 . A A . 13 CYS HA 1 1 5 2278 1 1 13 CYS HB2 H -0.255 -6.138 0.844 1.00 . A A . 13 CYS HB2 1 1 5 2279 1 1 13 CYS HB3 H 1.057 -5.830 -0.286 1.00 . A A . 13 CYS HB3 1 1 5 2280 1 1 13 CYS N N -1.447 -8.002 -0.305 1.00 . A A . 13 CYS N 1 1 5 2281 1 1 13 CYS O O 1.192 -8.936 -0.172 1.00 . A A . 13 CYS O 1 1 5 2282 1 1 13 CYS SG S -0.877 -4.516 -0.797 1.00 . A A . 13 CYS SG 1 1 5 2283 1 1 14 PRO C C 3.744 -8.952 -1.413 1.00 . A A . 14 PRO C 1 1 5 2284 1 1 14 PRO CA C 2.694 -9.039 -2.522 1.00 . A A . 14 PRO CA 1 1 5 2285 1 1 14 PRO CB C 3.258 -8.475 -3.828 1.00 . A A . 14 PRO CB 1 1 5 2286 1 1 14 PRO CD C 1.171 -7.364 -3.436 1.00 . A A . 14 PRO CD 1 1 5 2287 1 1 14 PRO CG C 2.085 -7.870 -4.519 1.00 . A A . 14 PRO CG 1 1 5 2288 1 1 14 PRO HA H 2.411 -10.070 -2.667 1.00 . A A . 14 PRO HA 1 1 5 2289 1 1 14 PRO HB2 H 4.013 -7.733 -3.609 1.00 . A A . 14 PRO HB2 1 1 5 2290 1 1 14 PRO HB3 H 3.688 -9.273 -4.412 1.00 . A A . 14 PRO HB3 1 1 5 2291 1 1 14 PRO HD2 H 1.362 -6.322 -3.238 1.00 . A A . 14 PRO HD2 1 1 5 2292 1 1 14 PRO HD3 H 0.140 -7.513 -3.718 1.00 . A A . 14 PRO HD3 1 1 5 2293 1 1 14 PRO HG2 H 2.412 -7.054 -5.145 1.00 . A A . 14 PRO HG2 1 1 5 2294 1 1 14 PRO HG3 H 1.583 -8.620 -5.112 1.00 . A A . 14 PRO HG3 1 1 5 2295 1 1 14 PRO N N 1.521 -8.192 -2.267 1.00 . A A . 14 PRO N 1 1 5 2296 1 1 14 PRO O O 4.111 -7.865 -0.972 1.00 . A A . 14 PRO O 1 1 5 2297 1 1 15 SER C C 4.784 -9.411 1.315 1.00 . A A . 15 SER C 1 1 5 2298 1 1 15 SER CA C 5.246 -10.162 0.066 1.00 . A A . 15 SER CA 1 1 5 2299 1 1 15 SER CB C 6.563 -9.589 -0.462 1.00 . A A . 15 SER CB 1 1 5 2300 1 1 15 SER H H 3.909 -10.943 -1.371 1.00 . A A . 15 SER H 1 1 5 2301 1 1 15 SER HA H 5.398 -11.196 0.326 1.00 . A A . 15 SER HA 1 1 5 2302 1 1 15 SER HB2 H 6.449 -8.530 -0.640 1.00 . A A . 15 SER HB2 1 1 5 2303 1 1 15 SER HB3 H 7.342 -9.752 0.267 1.00 . A A . 15 SER HB3 1 1 5 2304 1 1 15 SER HG H 6.150 -10.358 -2.217 1.00 . A A . 15 SER HG 1 1 5 2305 1 1 15 SER N N 4.233 -10.107 -0.977 1.00 . A A . 15 SER N 1 1 5 2306 1 1 15 SER O O 3.674 -9.634 1.806 1.00 . A A . 15 SER O 1 1 5 2307 1 1 15 SER OG O 6.937 -10.219 -1.677 1.00 . A A . 15 SER OG 1 1 5 2308 1 1 16 HIS C C 5.399 -6.267 2.725 1.00 . A A . 16 HIS C 1 1 5 2309 1 1 16 HIS CA C 5.328 -7.759 3.025 1.00 . A A . 16 HIS CA 1 1 5 2310 1 1 16 HIS CB C 6.292 -8.118 4.161 1.00 . A A . 16 HIS CB 1 1 5 2311 1 1 16 HIS CD2 C 5.190 -6.341 5.714 1.00 . A A . 16 HIS CD2 1 1 5 2312 1 1 16 HIS CE1 C 6.455 -6.633 7.476 1.00 . A A . 16 HIS CE1 1 1 5 2313 1 1 16 HIS CG C 6.084 -7.315 5.415 1.00 . A A . 16 HIS CG 1 1 5 2314 1 1 16 HIS H H 6.510 -8.413 1.398 1.00 . A A . 16 HIS H 1 1 5 2315 1 1 16 HIS HA H 4.323 -8.004 3.326 1.00 . A A . 16 HIS HA 1 1 5 2316 1 1 16 HIS HB2 H 6.166 -9.159 4.413 1.00 . A A . 16 HIS HB2 1 1 5 2317 1 1 16 HIS HB3 H 7.307 -7.955 3.828 1.00 . A A . 16 HIS HB3 1 1 5 2318 1 1 16 HIS HD1 H 7.596 -8.115 6.647 1.00 . A A . 16 HIS HD1 1 1 5 2319 1 1 16 HIS HD2 H 4.418 -5.956 5.062 1.00 . A A . 16 HIS HD2 1 1 5 2320 1 1 16 HIS HE1 H 6.884 -6.532 8.461 1.00 . A A . 16 HIS HE1 1 1 5 2321 1 1 16 HIS HE2 H 5.068 -5.136 7.424 1.00 . A A . 16 HIS HE2 1 1 5 2322 1 1 16 HIS N N 5.639 -8.537 1.831 1.00 . A A . 16 HIS N 1 1 5 2323 1 1 16 HIS ND1 N 6.860 -7.473 6.542 1.00 . A A . 16 HIS ND1 1 1 5 2324 1 1 16 HIS NE2 N 5.444 -5.935 6.999 1.00 . A A . 16 HIS NE2 1 1 5 2325 1 1 16 HIS O O 6.163 -5.532 3.348 1.00 . A A . 16 HIS O 1 1 5 2326 1 1 17 LEU C C 4.314 -3.534 2.610 1.00 . A A . 17 LEU C 1 1 5 2327 1 1 17 LEU CA C 4.581 -4.414 1.396 1.00 . A A . 17 LEU CA 1 1 5 2328 1 1 17 LEU CB C 3.492 -4.134 0.360 1.00 . A A . 17 LEU CB 1 1 5 2329 1 1 17 LEU CD1 C 2.603 -4.325 -1.966 1.00 . A A . 17 LEU CD1 1 1 5 2330 1 1 17 LEU CD2 C 4.972 -4.983 -1.492 1.00 . A A . 17 LEU CD2 1 1 5 2331 1 1 17 LEU CG C 3.554 -4.930 -0.942 1.00 . A A . 17 LEU CG 1 1 5 2332 1 1 17 LEU H H 4.009 -6.453 1.304 1.00 . A A . 17 LEU H 1 1 5 2333 1 1 17 LEU HA H 5.541 -4.160 0.978 1.00 . A A . 17 LEU HA 1 1 5 2334 1 1 17 LEU HB2 H 2.540 -4.339 0.824 1.00 . A A . 17 LEU HB2 1 1 5 2335 1 1 17 LEU HB3 H 3.529 -3.084 0.112 1.00 . A A . 17 LEU HB3 1 1 5 2336 1 1 17 LEU HD11 H 1.585 -4.411 -1.610 1.00 . A A . 17 LEU HD11 1 1 5 2337 1 1 17 LEU HD12 H 2.702 -4.847 -2.905 1.00 . A A . 17 LEU HD12 1 1 5 2338 1 1 17 LEU HD13 H 2.845 -3.282 -2.106 1.00 . A A . 17 LEU HD13 1 1 5 2339 1 1 17 LEU HD21 H 5.292 -3.987 -1.756 1.00 . A A . 17 LEU HD21 1 1 5 2340 1 1 17 LEU HD22 H 4.994 -5.611 -2.370 1.00 . A A . 17 LEU HD22 1 1 5 2341 1 1 17 LEU HD23 H 5.636 -5.390 -0.743 1.00 . A A . 17 LEU HD23 1 1 5 2342 1 1 17 LEU HG H 3.228 -5.939 -0.748 1.00 . A A . 17 LEU HG 1 1 5 2343 1 1 17 LEU N N 4.600 -5.822 1.768 1.00 . A A . 17 LEU N 1 1 5 2344 1 1 17 LEU O O 3.318 -3.718 3.311 1.00 . A A . 17 LEU O 1 1 5 2345 1 1 18 ILE C C 3.834 -0.696 3.606 1.00 . A A . 18 ILE C 1 1 5 2346 1 1 18 ILE CA C 4.990 -1.631 3.936 1.00 . A A . 18 ILE CA 1 1 5 2347 1 1 18 ILE CB C 6.263 -0.800 4.205 1.00 . A A . 18 ILE CB 1 1 5 2348 1 1 18 ILE CD1 C 7.176 -2.559 5.817 1.00 . A A . 18 ILE CD1 1 1 5 2349 1 1 18 ILE CG1 C 7.432 -1.715 4.585 1.00 . A A . 18 ILE CG1 1 1 5 2350 1 1 18 ILE CG2 C 6.009 0.232 5.294 1.00 . A A . 18 ILE CG2 1 1 5 2351 1 1 18 ILE H H 5.931 -2.434 2.226 1.00 . A A . 18 ILE H 1 1 5 2352 1 1 18 ILE HA H 4.750 -2.200 4.824 1.00 . A A . 18 ILE HA 1 1 5 2353 1 1 18 ILE HB H 6.513 -0.272 3.298 1.00 . A A . 18 ILE HB 1 1 5 2354 1 1 18 ILE HD11 H 8.119 -2.880 6.235 1.00 . A A . 18 ILE HD11 1 1 5 2355 1 1 18 ILE HD12 H 6.590 -3.424 5.546 1.00 . A A . 18 ILE HD12 1 1 5 2356 1 1 18 ILE HD13 H 6.638 -1.975 6.550 1.00 . A A . 18 ILE HD13 1 1 5 2357 1 1 18 ILE HG12 H 7.635 -2.384 3.766 1.00 . A A . 18 ILE HG12 1 1 5 2358 1 1 18 ILE HG13 H 8.307 -1.109 4.774 1.00 . A A . 18 ILE HG13 1 1 5 2359 1 1 18 ILE HG21 H 5.503 -0.238 6.126 1.00 . A A . 18 ILE HG21 1 1 5 2360 1 1 18 ILE HG22 H 5.391 1.027 4.901 1.00 . A A . 18 ILE HG22 1 1 5 2361 1 1 18 ILE HG23 H 6.949 0.642 5.630 1.00 . A A . 18 ILE HG23 1 1 5 2362 1 1 18 ILE N N 5.174 -2.557 2.835 1.00 . A A . 18 ILE N 1 1 5 2363 1 1 18 ILE O O 3.801 -0.100 2.526 1.00 . A A . 18 ILE O 1 1 5 2364 1 1 19 LYS C C 2.142 1.710 4.051 1.00 . A A . 19 LYS C 1 1 5 2365 1 1 19 LYS CA C 1.723 0.265 4.296 1.00 . A A . 19 LYS CA 1 1 5 2366 1 1 19 LYS CB C 0.761 0.186 5.485 1.00 . A A . 19 LYS CB 1 1 5 2367 1 1 19 LYS CD C -1.411 0.957 6.513 1.00 . A A . 19 LYS CD 1 1 5 2368 1 1 19 LYS CE C -0.815 1.107 7.906 1.00 . A A . 19 LYS CE 1 1 5 2369 1 1 19 LYS CG C -0.379 1.194 5.417 1.00 . A A . 19 LYS CG 1 1 5 2370 1 1 19 LYS H H 2.951 -1.095 5.351 1.00 . A A . 19 LYS H 1 1 5 2371 1 1 19 LYS HA H 1.215 -0.099 3.415 1.00 . A A . 19 LYS HA 1 1 5 2372 1 1 19 LYS HB2 H 0.330 -0.805 5.516 1.00 . A A . 19 LYS HB2 1 1 5 2373 1 1 19 LYS HB3 H 1.315 0.359 6.394 1.00 . A A . 19 LYS HB3 1 1 5 2374 1 1 19 LYS HD2 H -2.211 1.672 6.399 1.00 . A A . 19 LYS HD2 1 1 5 2375 1 1 19 LYS HD3 H -1.806 -0.045 6.408 1.00 . A A . 19 LYS HD3 1 1 5 2376 1 1 19 LYS HE2 H -1.585 0.899 8.634 1.00 . A A . 19 LYS HE2 1 1 5 2377 1 1 19 LYS HE3 H -0.013 0.395 8.022 1.00 . A A . 19 LYS HE3 1 1 5 2378 1 1 19 LYS HG2 H 0.026 2.186 5.530 1.00 . A A . 19 LYS HG2 1 1 5 2379 1 1 19 LYS HG3 H -0.861 1.111 4.456 1.00 . A A . 19 LYS HG3 1 1 5 2380 1 1 19 LYS HZ1 H 0.747 2.451 8.246 1.00 . A A . 19 LYS HZ1 1 1 5 2381 1 1 19 LYS HZ2 H -0.699 2.874 9.011 1.00 . A A . 19 LYS HZ2 1 1 5 2382 1 1 19 LYS HZ3 H -0.526 3.097 7.346 1.00 . A A . 19 LYS HZ3 1 1 5 2383 1 1 19 LYS N N 2.881 -0.585 4.517 1.00 . A A . 19 LYS N 1 1 5 2384 1 1 19 LYS NZ N -0.287 2.475 8.144 1.00 . A A . 19 LYS NZ 1 1 5 2385 1 1 19 LYS O O 2.661 2.382 4.945 1.00 . A A . 19 LYS O 1 1 5 2386 1 1 20 VAL C C 1.212 4.484 3.078 1.00 . A A . 20 VAL C 1 1 5 2387 1 1 20 VAL CA C 2.218 3.539 2.448 1.00 . A A . 20 VAL CA 1 1 5 2388 1 1 20 VAL CB C 2.166 3.714 0.914 1.00 . A A . 20 VAL CB 1 1 5 2389 1 1 20 VAL CG1 C 2.732 5.063 0.502 1.00 . A A . 20 VAL CG1 1 1 5 2390 1 1 20 VAL CG2 C 2.904 2.583 0.218 1.00 . A A . 20 VAL CG2 1 1 5 2391 1 1 20 VAL H H 1.474 1.586 2.182 1.00 . A A . 20 VAL H 1 1 5 2392 1 1 20 VAL HA H 3.212 3.777 2.799 1.00 . A A . 20 VAL HA 1 1 5 2393 1 1 20 VAL HB H 1.132 3.680 0.606 1.00 . A A . 20 VAL HB 1 1 5 2394 1 1 20 VAL HG11 H 2.248 5.845 1.067 1.00 . A A . 20 VAL HG11 1 1 5 2395 1 1 20 VAL HG12 H 2.559 5.218 -0.551 1.00 . A A . 20 VAL HG12 1 1 5 2396 1 1 20 VAL HG13 H 3.793 5.083 0.697 1.00 . A A . 20 VAL HG13 1 1 5 2397 1 1 20 VAL HG21 H 2.566 2.506 -0.808 1.00 . A A . 20 VAL HG21 1 1 5 2398 1 1 20 VAL HG22 H 2.711 1.652 0.729 1.00 . A A . 20 VAL HG22 1 1 5 2399 1 1 20 VAL HG23 H 3.961 2.787 0.232 1.00 . A A . 20 VAL HG23 1 1 5 2400 1 1 20 VAL N N 1.898 2.176 2.837 1.00 . A A . 20 VAL N 1 1 5 2401 1 1 20 VAL O O 1.559 5.544 3.605 1.00 . A A . 20 VAL O 1 1 5 2402 1 1 21 GLY C C -2.450 4.160 3.373 1.00 . A A . 21 GLY C 1 1 5 2403 1 1 21 GLY CA C -1.123 4.852 3.572 1.00 . A A . 21 GLY CA 1 1 5 2404 1 1 21 GLY H H -0.241 3.216 2.584 1.00 . A A . 21 GLY H 1 1 5 2405 1 1 21 GLY HA2 H -0.952 4.992 4.630 1.00 . A A . 21 GLY HA2 1 1 5 2406 1 1 21 GLY HA3 H -1.152 5.814 3.086 1.00 . A A . 21 GLY HA3 1 1 5 2407 1 1 21 GLY N N -0.043 4.074 3.017 1.00 . A A . 21 GLY N 1 1 5 2408 1 1 21 GLY O O -2.513 2.928 3.370 1.00 . A A . 21 GLY O 1 1 5 2409 1 1 22 SER C C -5.120 4.275 1.482 1.00 . A A . 22 SER C 1 1 5 2410 1 1 22 SER CA C -4.827 4.381 2.978 1.00 . A A . 22 SER CA 1 1 5 2411 1 1 22 SER CB C -5.868 5.254 3.682 1.00 . A A . 22 SER CB 1 1 5 2412 1 1 22 SER H H -3.385 5.909 3.185 1.00 . A A . 22 SER H 1 1 5 2413 1 1 22 SER HA H -4.846 3.393 3.402 1.00 . A A . 22 SER HA 1 1 5 2414 1 1 22 SER HB2 H -5.522 5.489 4.677 1.00 . A A . 22 SER HB2 1 1 5 2415 1 1 22 SER HB3 H -6.003 6.167 3.123 1.00 . A A . 22 SER HB3 1 1 5 2416 1 1 22 SER HG H -7.111 4.024 4.568 1.00 . A A . 22 SER HG 1 1 5 2417 1 1 22 SER N N -3.502 4.936 3.189 1.00 . A A . 22 SER N 1 1 5 2418 1 1 22 SER O O -4.211 4.029 0.688 1.00 . A A . 22 SER O 1 1 5 2419 1 1 22 SER OG O -7.115 4.592 3.783 1.00 . A A . 22 SER OG 1 1 5 2420 1 1 23 CYS C C -8.268 4.698 -0.438 1.00 . A A . 23 CYS C 1 1 5 2421 1 1 23 CYS CA C -6.784 4.389 -0.291 1.00 . A A . 23 CYS CA 1 1 5 2422 1 1 23 CYS CB C -6.498 2.994 -0.859 1.00 . A A . 23 CYS CB 1 1 5 2423 1 1 23 CYS H H -7.056 4.655 1.791 1.00 . A A . 23 CYS H 1 1 5 2424 1 1 23 CYS HA H -6.215 5.120 -0.841 1.00 . A A . 23 CYS HA 1 1 5 2425 1 1 23 CYS HB2 H -5.436 2.820 -0.862 1.00 . A A . 23 CYS HB2 1 1 5 2426 1 1 23 CYS HB3 H -6.977 2.252 -0.235 1.00 . A A . 23 CYS HB3 1 1 5 2427 1 1 23 CYS N N -6.379 4.464 1.107 1.00 . A A . 23 CYS N 1 1 5 2428 1 1 23 CYS O O -8.652 5.737 -0.978 1.00 . A A . 23 CYS O 1 1 5 2429 1 1 23 CYS SG S -7.104 2.744 -2.559 1.00 . A A . 23 CYS SG 1 1 5 2430 1 1 24 PHE C C -11.167 2.716 0.686 1.00 . A A . 24 PHE C 1 1 5 2431 1 1 24 PHE CA C -10.536 3.921 0.003 1.00 . A A . 24 PHE CA 1 1 5 2432 1 1 24 PHE CB C -11.024 4.019 -1.446 1.00 . A A . 24 PHE CB 1 1 5 2433 1 1 24 PHE CD1 C -13.110 5.300 -0.894 1.00 . A A . 24 PHE CD1 1 1 5 2434 1 1 24 PHE CD2 C -13.288 3.417 -2.349 1.00 . A A . 24 PHE CD2 1 1 5 2435 1 1 24 PHE CE1 C -14.471 5.516 -1.001 1.00 . A A . 24 PHE CE1 1 1 5 2436 1 1 24 PHE CE2 C -14.649 3.629 -2.458 1.00 . A A . 24 PHE CE2 1 1 5 2437 1 1 24 PHE CG C -12.504 4.250 -1.567 1.00 . A A . 24 PHE CG 1 1 5 2438 1 1 24 PHE CZ C -15.241 4.679 -1.784 1.00 . A A . 24 PHE CZ 1 1 5 2439 1 1 24 PHE H H -8.710 2.990 0.482 1.00 . A A . 24 PHE H 1 1 5 2440 1 1 24 PHE HA H -10.812 4.817 0.538 1.00 . A A . 24 PHE HA 1 1 5 2441 1 1 24 PHE HB2 H -10.520 4.838 -1.936 1.00 . A A . 24 PHE HB2 1 1 5 2442 1 1 24 PHE HB3 H -10.787 3.099 -1.961 1.00 . A A . 24 PHE HB3 1 1 5 2443 1 1 24 PHE HD1 H -12.510 5.956 -0.283 1.00 . A A . 24 PHE HD1 1 1 5 2444 1 1 24 PHE HD2 H -12.828 2.597 -2.877 1.00 . A A . 24 PHE HD2 1 1 5 2445 1 1 24 PHE HE1 H -14.932 6.337 -0.473 1.00 . A A . 24 PHE HE1 1 1 5 2446 1 1 24 PHE HE2 H -15.249 2.975 -3.071 1.00 . A A . 24 PHE HE2 1 1 5 2447 1 1 24 PHE HZ H -16.303 4.845 -1.869 1.00 . A A . 24 PHE HZ 1 1 5 2448 1 1 24 PHE N N -9.090 3.788 0.057 1.00 . A A . 24 PHE N 1 1 5 2449 1 1 24 PHE O O -10.659 1.599 0.569 1.00 . A A . 24 PHE O 1 1 5 2450 1 1 25 GLY C C -11.955 1.202 3.112 1.00 . A A . 25 GLY C 1 1 5 2451 1 1 25 GLY CA C -12.894 1.844 2.113 1.00 . A A . 25 GLY CA 1 1 5 2452 1 1 25 GLY H H -12.603 3.848 1.493 1.00 . A A . 25 GLY H 1 1 5 2453 1 1 25 GLY HA2 H -13.761 2.221 2.633 1.00 . A A . 25 GLY HA2 1 1 5 2454 1 1 25 GLY HA3 H -13.207 1.099 1.396 1.00 . A A . 25 GLY HA3 1 1 5 2455 1 1 25 GLY N N -12.249 2.936 1.414 1.00 . A A . 25 GLY N 1 1 5 2456 1 1 25 GLY O O -11.953 -0.016 3.295 1.00 . A A . 25 GLY O 1 1 5 2457 1 1 26 PHE C C -9.199 0.593 4.145 1.00 . A A . 26 PHE C 1 1 5 2458 1 1 26 PHE CA C -10.183 1.596 4.741 1.00 . A A . 26 PHE CA 1 1 5 2459 1 1 26 PHE CB C -10.892 1.005 5.961 1.00 . A A . 26 PHE CB 1 1 5 2460 1 1 26 PHE CD1 C -12.890 2.522 6.091 1.00 . A A . 26 PHE CD1 1 1 5 2461 1 1 26 PHE CD2 C -11.406 2.438 7.955 1.00 . A A . 26 PHE CD2 1 1 5 2462 1 1 26 PHE CE1 C -13.670 3.450 6.750 1.00 . A A . 26 PHE CE1 1 1 5 2463 1 1 26 PHE CE2 C -12.184 3.364 8.620 1.00 . A A . 26 PHE CE2 1 1 5 2464 1 1 26 PHE CG C -11.750 2.003 6.686 1.00 . A A . 26 PHE CG 1 1 5 2465 1 1 26 PHE CZ C -13.318 3.871 8.017 1.00 . A A . 26 PHE CZ 1 1 5 2466 1 1 26 PHE H H -11.208 2.998 3.541 1.00 . A A . 26 PHE H 1 1 5 2467 1 1 26 PHE HA H -9.627 2.467 5.057 1.00 . A A . 26 PHE HA 1 1 5 2468 1 1 26 PHE HB2 H -11.526 0.189 5.644 1.00 . A A . 26 PHE HB2 1 1 5 2469 1 1 26 PHE HB3 H -10.153 0.632 6.656 1.00 . A A . 26 PHE HB3 1 1 5 2470 1 1 26 PHE HD1 H -13.171 2.190 5.102 1.00 . A A . 26 PHE HD1 1 1 5 2471 1 1 26 PHE HD2 H -10.520 2.042 8.429 1.00 . A A . 26 PHE HD2 1 1 5 2472 1 1 26 PHE HE1 H -14.555 3.847 6.275 1.00 . A A . 26 PHE HE1 1 1 5 2473 1 1 26 PHE HE2 H -11.905 3.693 9.610 1.00 . A A . 26 PHE HE2 1 1 5 2474 1 1 26 PHE HZ H -13.927 4.597 8.534 1.00 . A A . 26 PHE HZ 1 1 5 2475 1 1 26 PHE N N -11.152 2.042 3.749 1.00 . A A . 26 PHE N 1 1 5 2476 1 1 26 PHE O O -8.793 -0.368 4.804 1.00 . A A . 26 PHE O 1 1 5 2477 1 1 27 ARG C C -6.462 0.635 2.276 1.00 . A A . 27 ARG C 1 1 5 2478 1 1 27 ARG CA C -7.839 -0.010 2.217 1.00 . A A . 27 ARG CA 1 1 5 2479 1 1 27 ARG CB C -8.264 -0.227 0.764 1.00 . A A . 27 ARG CB 1 1 5 2480 1 1 27 ARG CD C -10.090 -0.998 -0.794 1.00 . A A . 27 ARG CD 1 1 5 2481 1 1 27 ARG CG C -9.551 -1.024 0.627 1.00 . A A . 27 ARG CG 1 1 5 2482 1 1 27 ARG CZ C -12.213 -0.467 -1.937 1.00 . A A . 27 ARG CZ 1 1 5 2483 1 1 27 ARG H H -9.147 1.636 2.448 1.00 . A A . 27 ARG H 1 1 5 2484 1 1 27 ARG HA H -7.805 -0.961 2.725 1.00 . A A . 27 ARG HA 1 1 5 2485 1 1 27 ARG HB2 H -8.407 0.735 0.294 1.00 . A A . 27 ARG HB2 1 1 5 2486 1 1 27 ARG HB3 H -7.479 -0.758 0.246 1.00 . A A . 27 ARG HB3 1 1 5 2487 1 1 27 ARG HD2 H -9.454 -0.369 -1.400 1.00 . A A . 27 ARG HD2 1 1 5 2488 1 1 27 ARG HD3 H -10.082 -2.003 -1.186 1.00 . A A . 27 ARG HD3 1 1 5 2489 1 1 27 ARG HE H -11.824 -0.123 -0.004 1.00 . A A . 27 ARG HE 1 1 5 2490 1 1 27 ARG HG2 H -9.356 -2.048 0.904 1.00 . A A . 27 ARG HG2 1 1 5 2491 1 1 27 ARG HG3 H -10.292 -0.605 1.291 1.00 . A A . 27 ARG HG3 1 1 5 2492 1 1 27 ARG HH11 H -10.811 -1.313 -3.131 1.00 . A A . 27 ARG HH11 1 1 5 2493 1 1 27 ARG HH12 H -12.313 -0.934 -3.902 1.00 . A A . 27 ARG HH12 1 1 5 2494 1 1 27 ARG HH21 H -13.821 0.363 -1.026 1.00 . A A . 27 ARG HH21 1 1 5 2495 1 1 27 ARG HH22 H -14.015 0.037 -2.720 1.00 . A A . 27 ARG HH22 1 1 5 2496 1 1 27 ARG N N -8.801 0.841 2.906 1.00 . A A . 27 ARG N 1 1 5 2497 1 1 27 ARG NE N -11.455 -0.482 -0.842 1.00 . A A . 27 ARG NE 1 1 5 2498 1 1 27 ARG NH1 N -11.739 -0.941 -3.081 1.00 . A A . 27 ARG NH1 1 1 5 2499 1 1 27 ARG NH2 N -13.448 0.015 -1.887 1.00 . A A . 27 ARG NH2 1 1 5 2500 1 1 27 ARG O O -6.277 1.752 1.800 1.00 . A A . 27 ARG O 1 1 5 2501 1 1 28 SER C C -3.330 0.250 1.756 1.00 . A A . 28 SER C 1 1 5 2502 1 1 28 SER CA C -4.162 0.473 3.016 1.00 . A A . 28 SER CA 1 1 5 2503 1 1 28 SER CB C -3.478 -0.168 4.227 1.00 . A A . 28 SER CB 1 1 5 2504 1 1 28 SER H H -5.720 -0.937 3.255 1.00 . A A . 28 SER H 1 1 5 2505 1 1 28 SER HA H -4.245 1.531 3.190 1.00 . A A . 28 SER HA 1 1 5 2506 1 1 28 SER HB2 H -2.426 0.064 4.205 1.00 . A A . 28 SER HB2 1 1 5 2507 1 1 28 SER HB3 H -3.915 0.225 5.133 1.00 . A A . 28 SER HB3 1 1 5 2508 1 1 28 SER HG H -4.387 -1.818 4.767 1.00 . A A . 28 SER HG 1 1 5 2509 1 1 28 SER N N -5.510 -0.055 2.878 1.00 . A A . 28 SER N 1 1 5 2510 1 1 28 SER O O -3.159 -0.881 1.307 1.00 . A A . 28 SER O 1 1 5 2511 1 1 28 SER OG O -3.632 -1.577 4.220 1.00 . A A . 28 SER OG 1 1 5 2512 1 1 29 CYS C C -0.561 0.788 0.392 1.00 . A A . 29 CYS C 1 1 5 2513 1 1 29 CYS CA C -1.968 1.247 0.010 1.00 . A A . 29 CYS CA 1 1 5 2514 1 1 29 CYS CB C -1.923 2.605 -0.698 1.00 . A A . 29 CYS CB 1 1 5 2515 1 1 29 CYS H H -2.959 2.210 1.604 1.00 . A A . 29 CYS H 1 1 5 2516 1 1 29 CYS HA H -2.407 0.519 -0.651 1.00 . A A . 29 CYS HA 1 1 5 2517 1 1 29 CYS HB2 H -1.925 3.389 0.045 1.00 . A A . 29 CYS HB2 1 1 5 2518 1 1 29 CYS HB3 H -1.020 2.670 -1.273 1.00 . A A . 29 CYS HB3 1 1 5 2519 1 1 29 CYS N N -2.799 1.332 1.198 1.00 . A A . 29 CYS N 1 1 5 2520 1 1 29 CYS O O 0.215 1.556 0.954 1.00 . A A . 29 CYS O 1 1 5 2521 1 1 29 CYS SG S -3.330 2.907 -1.821 1.00 . A A . 29 CYS SG 1 1 5 2522 1 1 30 CYS C C 2.097 -0.791 -0.625 1.00 . A A . 30 CYS C 1 1 5 2523 1 1 30 CYS CA C 1.046 -1.049 0.455 1.00 . A A . 30 CYS CA 1 1 5 2524 1 1 30 CYS CB C 0.924 -2.560 0.666 1.00 . A A . 30 CYS CB 1 1 5 2525 1 1 30 CYS H H -0.931 -1.047 -0.306 1.00 . A A . 30 CYS H 1 1 5 2526 1 1 30 CYS HA H 1.379 -0.599 1.377 1.00 . A A . 30 CYS HA 1 1 5 2527 1 1 30 CYS HB2 H 1.413 -3.064 -0.150 1.00 . A A . 30 CYS HB2 1 1 5 2528 1 1 30 CYS HB3 H 1.414 -2.825 1.591 1.00 . A A . 30 CYS HB3 1 1 5 2529 1 1 30 CYS N N -0.254 -0.474 0.116 1.00 . A A . 30 CYS N 1 1 5 2530 1 1 30 CYS O O 1.776 -0.688 -1.811 1.00 . A A . 30 CYS O 1 1 5 2531 1 1 30 CYS SG S -0.780 -3.194 0.743 1.00 . A A . 30 CYS SG 1 1 5 2532 1 1 31 LYS C C 5.622 -1.445 -0.621 1.00 . A A . 31 LYS C 1 1 5 2533 1 1 31 LYS CA C 4.495 -0.541 -1.088 1.00 . A A . 31 LYS CA 1 1 5 2534 1 1 31 LYS CB C 4.960 0.916 -1.092 1.00 . A A . 31 LYS CB 1 1 5 2535 1 1 31 LYS CD C 6.793 2.544 -1.681 1.00 . A A . 31 LYS CD 1 1 5 2536 1 1 31 LYS CE C 5.818 3.679 -1.906 1.00 . A A . 31 LYS CE 1 1 5 2537 1 1 31 LYS CG C 6.163 1.192 -1.981 1.00 . A A . 31 LYS CG 1 1 5 2538 1 1 31 LYS H H 3.533 -0.854 0.763 1.00 . A A . 31 LYS H 1 1 5 2539 1 1 31 LYS HA H 4.199 -0.829 -2.088 1.00 . A A . 31 LYS HA 1 1 5 2540 1 1 31 LYS HB2 H 4.151 1.523 -1.443 1.00 . A A . 31 LYS HB2 1 1 5 2541 1 1 31 LYS HB3 H 5.211 1.203 -0.082 1.00 . A A . 31 LYS HB3 1 1 5 2542 1 1 31 LYS HD2 H 7.115 2.560 -0.651 1.00 . A A . 31 LYS HD2 1 1 5 2543 1 1 31 LYS HD3 H 7.646 2.682 -2.328 1.00 . A A . 31 LYS HD3 1 1 5 2544 1 1 31 LYS HE2 H 5.516 3.671 -2.940 1.00 . A A . 31 LYS HE2 1 1 5 2545 1 1 31 LYS HE3 H 4.959 3.521 -1.280 1.00 . A A . 31 LYS HE3 1 1 5 2546 1 1 31 LYS HG2 H 6.898 0.430 -1.823 1.00 . A A . 31 LYS HG2 1 1 5 2547 1 1 31 LYS HG3 H 5.842 1.178 -3.012 1.00 . A A . 31 LYS HG3 1 1 5 2548 1 1 31 LYS HZ1 H 7.278 5.151 -2.148 1.00 . A A . 31 LYS HZ1 1 1 5 2549 1 1 31 LYS HZ2 H 6.673 5.042 -0.576 1.00 . A A . 31 LYS HZ2 1 1 5 2550 1 1 31 LYS HZ3 H 5.747 5.763 -1.789 1.00 . A A . 31 LYS HZ3 1 1 5 2551 1 1 31 LYS N N 3.355 -0.733 -0.197 1.00 . A A . 31 LYS N 1 1 5 2552 1 1 31 LYS NZ N 6.419 5.001 -1.584 1.00 . A A . 31 LYS NZ 1 1 5 2553 1 1 31 LYS O O 5.719 -1.751 0.565 1.00 . A A . 31 LYS O 1 1 5 2554 1 1 32 TRP C C 8.469 -2.113 -0.161 1.00 . A A . 32 TRP C 1 1 5 2555 1 1 32 TRP CA C 7.556 -2.773 -1.186 1.00 . A A . 32 TRP CA 1 1 5 2556 1 1 32 TRP CB C 8.347 -3.175 -2.430 1.00 . A A . 32 TRP CB 1 1 5 2557 1 1 32 TRP CD1 C 6.550 -3.360 -4.246 1.00 . A A . 32 TRP CD1 1 1 5 2558 1 1 32 TRP CD2 C 7.542 -5.298 -3.731 1.00 . A A . 32 TRP CD2 1 1 5 2559 1 1 32 TRP CE2 C 6.585 -5.537 -4.733 1.00 . A A . 32 TRP CE2 1 1 5 2560 1 1 32 TRP CE3 C 8.291 -6.372 -3.244 1.00 . A A . 32 TRP CE3 1 1 5 2561 1 1 32 TRP CG C 7.511 -3.897 -3.441 1.00 . A A . 32 TRP CG 1 1 5 2562 1 1 32 TRP CH2 C 7.107 -7.839 -4.761 1.00 . A A . 32 TRP CH2 1 1 5 2563 1 1 32 TRP CZ2 C 6.359 -6.807 -5.258 1.00 . A A . 32 TRP CZ2 1 1 5 2564 1 1 32 TRP CZ3 C 8.064 -7.631 -3.764 1.00 . A A . 32 TRP CZ3 1 1 5 2565 1 1 32 TRP H H 6.327 -1.614 -2.472 1.00 . A A . 32 TRP H 1 1 5 2566 1 1 32 TRP HA H 7.128 -3.659 -0.746 1.00 . A A . 32 TRP HA 1 1 5 2567 1 1 32 TRP HB2 H 8.750 -2.290 -2.898 1.00 . A A . 32 TRP HB2 1 1 5 2568 1 1 32 TRP HB3 H 9.159 -3.825 -2.139 1.00 . A A . 32 TRP HB3 1 1 5 2569 1 1 32 TRP HD1 H 6.283 -2.314 -4.259 1.00 . A A . 32 TRP HD1 1 1 5 2570 1 1 32 TRP HE1 H 5.288 -4.199 -5.699 1.00 . A A . 32 TRP HE1 1 1 5 2571 1 1 32 TRP HE3 H 9.033 -6.230 -2.473 1.00 . A A . 32 TRP HE3 1 1 5 2572 1 1 32 TRP HH2 H 6.964 -8.840 -5.138 1.00 . A A . 32 TRP HH2 1 1 5 2573 1 1 32 TRP HZ2 H 5.623 -6.984 -6.028 1.00 . A A . 32 TRP HZ2 1 1 5 2574 1 1 32 TRP HZ3 H 8.633 -8.473 -3.399 1.00 . A A . 32 TRP HZ3 1 1 5 2575 1 1 32 TRP N N 6.454 -1.885 -1.540 1.00 . A A . 32 TRP N 1 1 5 2576 1 1 32 TRP NE1 N 5.995 -4.338 -5.033 1.00 . A A . 32 TRP NE1 1 1 5 2577 1 1 32 TRP O O 8.826 -0.946 -0.300 1.00 . A A . 32 TRP O 1 1 5 2578 1 1 33 PRO C C 11.003 -1.714 1.334 1.00 . A A . 33 PRO C 1 1 5 2579 1 1 33 PRO CA C 9.735 -2.301 1.934 1.00 . A A . 33 PRO CA 1 1 5 2580 1 1 33 PRO CB C 10.063 -3.518 2.805 1.00 . A A . 33 PRO CB 1 1 5 2581 1 1 33 PRO CD C 8.495 -4.249 1.155 1.00 . A A . 33 PRO CD 1 1 5 2582 1 1 33 PRO CG C 8.938 -4.465 2.575 1.00 . A A . 33 PRO CG 1 1 5 2583 1 1 33 PRO HA H 9.232 -1.549 2.524 1.00 . A A . 33 PRO HA 1 1 5 2584 1 1 33 PRO HB2 H 11.008 -3.942 2.496 1.00 . A A . 33 PRO HB2 1 1 5 2585 1 1 33 PRO HB3 H 10.119 -3.217 3.840 1.00 . A A . 33 PRO HB3 1 1 5 2586 1 1 33 PRO HD2 H 9.023 -4.917 0.489 1.00 . A A . 33 PRO HD2 1 1 5 2587 1 1 33 PRO HD3 H 7.431 -4.391 1.069 1.00 . A A . 33 PRO HD3 1 1 5 2588 1 1 33 PRO HG2 H 9.280 -5.479 2.710 1.00 . A A . 33 PRO HG2 1 1 5 2589 1 1 33 PRO HG3 H 8.130 -4.248 3.257 1.00 . A A . 33 PRO HG3 1 1 5 2590 1 1 33 PRO N N 8.862 -2.845 0.894 1.00 . A A . 33 PRO N 1 1 5 2591 1 1 33 PRO O O 11.430 -0.613 1.689 1.00 . A A . 33 PRO O 1 1 5 2592 1 1 34 TRP C C 12.489 -1.082 -1.407 1.00 . A A . 34 TRP C 1 1 5 2593 1 1 34 TRP CA C 12.806 -2.041 -0.264 1.00 . A A . 34 TRP CA 1 1 5 2594 1 1 34 TRP CB C 13.548 -3.278 -0.765 1.00 . A A . 34 TRP CB 1 1 5 2595 1 1 34 TRP CD1 C 11.922 -3.927 -2.656 1.00 . A A . 34 TRP CD1 1 1 5 2596 1 1 34 TRP CD2 C 12.541 -5.601 -1.316 1.00 . A A . 34 TRP CD2 1 1 5 2597 1 1 34 TRP CE2 C 11.665 -6.114 -2.284 1.00 . A A . 34 TRP CE2 1 1 5 2598 1 1 34 TRP CE3 C 13.069 -6.452 -0.358 1.00 . A A . 34 TRP CE3 1 1 5 2599 1 1 34 TRP CG C 12.699 -4.213 -1.567 1.00 . A A . 34 TRP CG 1 1 5 2600 1 1 34 TRP CH2 C 11.836 -8.278 -1.355 1.00 . A A . 34 TRP CH2 1 1 5 2601 1 1 34 TRP CZ2 C 11.303 -7.458 -2.314 1.00 . A A . 34 TRP CZ2 1 1 5 2602 1 1 34 TRP CZ3 C 12.713 -7.785 -0.382 1.00 . A A . 34 TRP CZ3 1 1 5 2603 1 1 34 TRP H H 11.186 -3.319 0.174 1.00 . A A . 34 TRP H 1 1 5 2604 1 1 34 TRP HA H 13.426 -1.530 0.456 1.00 . A A . 34 TRP HA 1 1 5 2605 1 1 34 TRP HB2 H 14.382 -2.985 -1.370 1.00 . A A . 34 TRP HB2 1 1 5 2606 1 1 34 TRP HB3 H 13.913 -3.820 0.090 1.00 . A A . 34 TRP HB3 1 1 5 2607 1 1 34 TRP HD1 H 11.825 -2.947 -3.098 1.00 . A A . 34 TRP HD1 1 1 5 2608 1 1 34 TRP HE1 H 10.691 -5.133 -3.870 1.00 . A A . 34 TRP HE1 1 1 5 2609 1 1 34 TRP HE3 H 13.749 -6.079 0.391 1.00 . A A . 34 TRP HE3 1 1 5 2610 1 1 34 TRP HH2 H 11.580 -9.326 -1.337 1.00 . A A . 34 TRP HH2 1 1 5 2611 1 1 34 TRP HZ2 H 10.629 -7.851 -3.060 1.00 . A A . 34 TRP HZ2 1 1 5 2612 1 1 34 TRP HZ3 H 13.111 -8.463 0.359 1.00 . A A . 34 TRP HZ3 1 1 5 2613 1 1 34 TRP N N 11.588 -2.458 0.412 1.00 . A A . 34 TRP N 1 1 5 2614 1 1 34 TRP NE1 N 11.301 -5.072 -3.098 1.00 . A A . 34 TRP NE1 1 1 5 2615 1 1 34 TRP O O 13.081 -1.153 -2.486 1.00 . A A . 34 TRP O 1 1 5 2616 1 1 35 ASN C C 12.153 1.911 -2.304 1.00 . A A . 35 ASN C 1 1 5 2617 1 1 35 ASN CA C 11.121 0.799 -2.143 1.00 . A A . 35 ASN CA 1 1 5 2618 1 1 35 ASN CB C 9.768 1.402 -1.756 1.00 . A A . 35 ASN CB 1 1 5 2619 1 1 35 ASN CG C 9.770 2.034 -0.373 1.00 . A A . 35 ASN CG 1 1 5 2620 1 1 35 ASN H H 11.117 -0.197 -0.274 1.00 . A A . 35 ASN H 1 1 5 2621 1 1 35 ASN HA H 11.015 0.290 -3.088 1.00 . A A . 35 ASN HA 1 1 5 2622 1 1 35 ASN HB2 H 9.510 2.166 -2.474 1.00 . A A . 35 ASN HB2 1 1 5 2623 1 1 35 ASN HB3 H 9.017 0.629 -1.779 1.00 . A A . 35 ASN HB3 1 1 5 2624 1 1 35 ASN HD21 H 8.410 0.730 0.250 1.00 . A A . 35 ASN HD21 1 1 5 2625 1 1 35 ASN HD22 H 8.926 1.894 1.421 1.00 . A A . 35 ASN HD22 1 1 5 2626 1 1 35 ASN N N 11.546 -0.190 -1.153 1.00 . A A . 35 ASN N 1 1 5 2627 1 1 35 ASN ND2 N 8.958 1.498 0.524 1.00 . A A . 35 ASN ND2 1 1 5 2628 1 1 35 ASN O O 11.813 3.096 -2.299 1.00 . A A . 35 ASN O 1 1 5 2629 1 1 35 ASN OD1 O 10.496 2.992 -0.108 1.00 . A A . 35 ASN OD1 1 1 5 2630 1 1 36 ALA C C 15.559 1.894 -3.531 1.00 . A A . 36 ALA C 1 1 5 2631 1 1 36 ALA CA C 14.485 2.488 -2.638 1.00 . A A . 36 ALA CA 1 1 5 2632 1 1 36 ALA CB C 15.068 2.894 -1.290 1.00 . A A . 36 ALA CB 1 1 5 2633 1 1 36 ALA H H 13.620 0.573 -2.471 1.00 . A A . 36 ALA H 1 1 5 2634 1 1 36 ALA HA H 14.079 3.368 -3.113 1.00 . A A . 36 ALA HA 1 1 5 2635 1 1 36 ALA HB1 H 15.938 2.292 -1.076 1.00 . A A . 36 ALA HB1 1 1 5 2636 1 1 36 ALA HB2 H 14.328 2.743 -0.517 1.00 . A A . 36 ALA HB2 1 1 5 2637 1 1 36 ALA HB3 H 15.349 3.936 -1.320 1.00 . A A . 36 ALA HB3 1 1 5 2638 1 1 36 ALA N N 13.408 1.529 -2.462 1.00 . A A . 36 ALA N 1 1 5 2639 1 1 36 ALA O O 15.434 0.703 -3.888 1.00 . A A . 36 ALA O 1 1 5 2640 1 1 36 ALA OXT O 16.511 2.613 -3.886 1.00 . A A . 36 ALA OXT 1 1 6 2641 1 1 1 LEU C C 0.296 2.476 -6.922 1.00 . A A . 1 LEU C 1 1 6 2642 1 1 1 LEU CA C 1.654 1.794 -6.767 1.00 . A A . 1 LEU CA 1 1 6 2643 1 1 1 LEU CB C 2.168 1.973 -5.331 1.00 . A A . 1 LEU CB 1 1 6 2644 1 1 1 LEU CD1 C 3.309 -0.271 -5.287 1.00 . A A . 1 LEU CD1 1 1 6 2645 1 1 1 LEU CD2 C 4.666 1.811 -5.638 1.00 . A A . 1 LEU CD2 1 1 6 2646 1 1 1 LEU CG C 3.446 1.207 -4.957 1.00 . A A . 1 LEU CG 1 1 6 2647 1 1 1 LEU H1 H 3.157 3.147 -7.268 1.00 . A A . 1 LEU H1 1 1 6 2648 1 1 1 LEU H2 H 2.137 2.745 -8.550 1.00 . A A . 1 LEU H2 1 1 6 2649 1 1 1 LEU H3 H 3.305 1.646 -8.029 1.00 . A A . 1 LEU H3 1 1 6 2650 1 1 1 LEU HA H 1.547 0.741 -6.981 1.00 . A A . 1 LEU HA 1 1 6 2651 1 1 1 LEU HB2 H 2.348 3.023 -5.165 1.00 . A A . 1 LEU HB2 1 1 6 2652 1 1 1 LEU HB3 H 1.386 1.657 -4.662 1.00 . A A . 1 LEU HB3 1 1 6 2653 1 1 1 LEU HD11 H 2.409 -0.661 -4.835 1.00 . A A . 1 LEU HD11 1 1 6 2654 1 1 1 LEU HD12 H 4.165 -0.806 -4.902 1.00 . A A . 1 LEU HD12 1 1 6 2655 1 1 1 LEU HD13 H 3.258 -0.400 -6.358 1.00 . A A . 1 LEU HD13 1 1 6 2656 1 1 1 LEU HD21 H 4.507 1.850 -6.702 1.00 . A A . 1 LEU HD21 1 1 6 2657 1 1 1 LEU HD22 H 5.532 1.200 -5.428 1.00 . A A . 1 LEU HD22 1 1 6 2658 1 1 1 LEU HD23 H 4.831 2.809 -5.262 1.00 . A A . 1 LEU HD23 1 1 6 2659 1 1 1 LEU HG H 3.595 1.288 -3.888 1.00 . A A . 1 LEU HG 1 1 6 2660 1 1 1 LEU N N 2.631 2.372 -7.718 1.00 . A A . 1 LEU N 1 1 6 2661 1 1 1 LEU O O 0.221 3.701 -6.994 1.00 . A A . 1 LEU O 1 1 6 2662 1 1 2 PHE C C -2.570 3.008 -5.910 1.00 . A A . 2 PHE C 1 1 6 2663 1 1 2 PHE CA C -2.133 2.192 -7.131 1.00 . A A . 2 PHE CA 1 1 6 2664 1 1 2 PHE CB C -3.105 1.033 -7.366 1.00 . A A . 2 PHE CB 1 1 6 2665 1 1 2 PHE CD1 C -4.808 2.325 -8.686 1.00 . A A . 2 PHE CD1 1 1 6 2666 1 1 2 PHE CD2 C -5.558 1.035 -6.824 1.00 . A A . 2 PHE CD2 1 1 6 2667 1 1 2 PHE CE1 C -6.106 2.731 -8.930 1.00 . A A . 2 PHE CE1 1 1 6 2668 1 1 2 PHE CE2 C -6.857 1.439 -7.065 1.00 . A A . 2 PHE CE2 1 1 6 2669 1 1 2 PHE CG C -4.519 1.472 -7.631 1.00 . A A . 2 PHE CG 1 1 6 2670 1 1 2 PHE CZ C -7.131 2.287 -8.119 1.00 . A A . 2 PHE CZ 1 1 6 2671 1 1 2 PHE H H -0.635 0.706 -6.919 1.00 . A A . 2 PHE H 1 1 6 2672 1 1 2 PHE HA H -2.143 2.836 -7.998 1.00 . A A . 2 PHE HA 1 1 6 2673 1 1 2 PHE HB2 H -2.771 0.461 -8.217 1.00 . A A . 2 PHE HB2 1 1 6 2674 1 1 2 PHE HB3 H -3.111 0.398 -6.493 1.00 . A A . 2 PHE HB3 1 1 6 2675 1 1 2 PHE HD1 H -4.007 2.672 -9.321 1.00 . A A . 2 PHE HD1 1 1 6 2676 1 1 2 PHE HD2 H -5.346 0.371 -5.999 1.00 . A A . 2 PHE HD2 1 1 6 2677 1 1 2 PHE HE1 H -6.318 3.396 -9.754 1.00 . A A . 2 PHE HE1 1 1 6 2678 1 1 2 PHE HE2 H -7.657 1.092 -6.430 1.00 . A A . 2 PHE HE2 1 1 6 2679 1 1 2 PHE HZ H -8.146 2.604 -8.308 1.00 . A A . 2 PHE HZ 1 1 6 2680 1 1 2 PHE N N -0.769 1.677 -6.976 1.00 . A A . 2 PHE N 1 1 6 2681 1 1 2 PHE O O -3.479 2.616 -5.177 1.00 . A A . 2 PHE O 1 1 6 2682 1 1 3 CYS C C -1.032 6.011 -4.403 1.00 . A A . 3 CYS C 1 1 6 2683 1 1 3 CYS CA C -2.195 5.042 -4.591 1.00 . A A . 3 CYS CA 1 1 6 2684 1 1 3 CYS CB C -2.427 4.250 -3.294 1.00 . A A . 3 CYS CB 1 1 6 2685 1 1 3 CYS H H -1.205 4.377 -6.334 1.00 . A A . 3 CYS H 1 1 6 2686 1 1 3 CYS HA H -3.085 5.602 -4.832 1.00 . A A . 3 CYS HA 1 1 6 2687 1 1 3 CYS HB2 H -3.412 3.812 -3.317 1.00 . A A . 3 CYS HB2 1 1 6 2688 1 1 3 CYS HB3 H -1.693 3.471 -3.238 1.00 . A A . 3 CYS HB3 1 1 6 2689 1 1 3 CYS N N -1.912 4.137 -5.707 1.00 . A A . 3 CYS N 1 1 6 2690 1 1 3 CYS O O -0.691 6.381 -3.282 1.00 . A A . 3 CYS O 1 1 6 2691 1 1 3 CYS SG S -2.302 5.240 -1.764 1.00 . A A . 3 CYS SG 1 1 6 2692 1 1 4 LYS C C 1.583 7.006 -4.241 1.00 . A A . 4 LYS C 1 1 6 2693 1 1 4 LYS CA C 0.710 7.335 -5.449 1.00 . A A . 4 LYS CA 1 1 6 2694 1 1 4 LYS CB C 0.197 8.778 -5.374 1.00 . A A . 4 LYS CB 1 1 6 2695 1 1 4 LYS CD C 0.701 11.242 -5.401 1.00 . A A . 4 LYS CD 1 1 6 2696 1 1 4 LYS CE C -0.396 11.523 -6.417 1.00 . A A . 4 LYS CE 1 1 6 2697 1 1 4 LYS CG C 1.272 9.840 -5.560 1.00 . A A . 4 LYS CG 1 1 6 2698 1 1 4 LYS H H -0.724 6.100 -6.379 1.00 . A A . 4 LYS H 1 1 6 2699 1 1 4 LYS HA H 1.292 7.207 -6.347 1.00 . A A . 4 LYS HA 1 1 6 2700 1 1 4 LYS HB2 H -0.547 8.917 -6.143 1.00 . A A . 4 LYS HB2 1 1 6 2701 1 1 4 LYS HB3 H -0.266 8.931 -4.410 1.00 . A A . 4 LYS HB3 1 1 6 2702 1 1 4 LYS HD2 H 0.292 11.342 -4.407 1.00 . A A . 4 LYS HD2 1 1 6 2703 1 1 4 LYS HD3 H 1.497 11.960 -5.537 1.00 . A A . 4 LYS HD3 1 1 6 2704 1 1 4 LYS HE2 H 0.019 11.436 -7.409 1.00 . A A . 4 LYS HE2 1 1 6 2705 1 1 4 LYS HE3 H -1.182 10.793 -6.292 1.00 . A A . 4 LYS HE3 1 1 6 2706 1 1 4 LYS HG2 H 2.046 9.693 -4.823 1.00 . A A . 4 LYS HG2 1 1 6 2707 1 1 4 LYS HG3 H 1.692 9.743 -6.550 1.00 . A A . 4 LYS HG3 1 1 6 2708 1 1 4 LYS HZ1 H -2.005 12.848 -6.371 1.00 . A A . 4 LYS HZ1 1 1 6 2709 1 1 4 LYS HZ2 H -0.575 13.526 -6.966 1.00 . A A . 4 LYS HZ2 1 1 6 2710 1 1 4 LYS HZ3 H -0.755 13.253 -5.309 1.00 . A A . 4 LYS HZ3 1 1 6 2711 1 1 4 LYS N N -0.415 6.417 -5.507 1.00 . A A . 4 LYS N 1 1 6 2712 1 1 4 LYS NZ N -0.973 12.882 -6.253 1.00 . A A . 4 LYS NZ 1 1 6 2713 1 1 4 LYS O O 2.095 7.896 -3.559 1.00 . A A . 4 LYS O 1 1 6 2714 1 1 5 GLY C C 2.493 3.804 -2.589 1.00 . A A . 5 GLY C 1 1 6 2715 1 1 5 GLY CA C 2.537 5.298 -2.843 1.00 . A A . 5 GLY CA 1 1 6 2716 1 1 5 GLY H H 1.307 5.050 -4.543 1.00 . A A . 5 GLY H 1 1 6 2717 1 1 5 GLY HA2 H 3.562 5.587 -3.019 1.00 . A A . 5 GLY HA2 1 1 6 2718 1 1 5 GLY HA3 H 2.180 5.809 -1.961 1.00 . A A . 5 GLY HA3 1 1 6 2719 1 1 5 GLY N N 1.739 5.716 -3.973 1.00 . A A . 5 GLY N 1 1 6 2720 1 1 5 GLY O O 3.530 3.188 -2.389 1.00 . A A . 5 GLY O 1 1 6 2721 1 1 6 GLY C C -0.108 1.166 -2.773 1.00 . A A . 6 GLY C 1 1 6 2722 1 1 6 GLY CA C 1.202 1.781 -2.319 1.00 . A A . 6 GLY CA 1 1 6 2723 1 1 6 GLY H H 0.491 3.746 -2.734 1.00 . A A . 6 GLY H 1 1 6 2724 1 1 6 GLY HA2 H 2.010 1.279 -2.824 1.00 . A A . 6 GLY HA2 1 1 6 2725 1 1 6 GLY HA3 H 1.308 1.617 -1.257 1.00 . A A . 6 GLY HA3 1 1 6 2726 1 1 6 GLY N N 1.300 3.213 -2.580 1.00 . A A . 6 GLY N 1 1 6 2727 1 1 6 GLY O O -1.176 1.701 -2.506 1.00 . A A . 6 GLY O 1 1 6 2728 1 1 7 SER C C -2.179 -0.883 -2.751 1.00 . A A . 7 SER C 1 1 6 2729 1 1 7 SER CA C -1.209 -0.678 -3.907 1.00 . A A . 7 SER CA 1 1 6 2730 1 1 7 SER CB C -0.801 -2.026 -4.504 1.00 . A A . 7 SER CB 1 1 6 2731 1 1 7 SER H H 0.856 -0.372 -3.595 1.00 . A A . 7 SER H 1 1 6 2732 1 1 7 SER HA H -1.683 -0.076 -4.669 1.00 . A A . 7 SER HA 1 1 6 2733 1 1 7 SER HB2 H -1.676 -2.646 -4.621 1.00 . A A . 7 SER HB2 1 1 6 2734 1 1 7 SER HB3 H -0.339 -1.867 -5.465 1.00 . A A . 7 SER HB3 1 1 6 2735 1 1 7 SER HG H 0.242 -2.177 -2.848 1.00 . A A . 7 SER HG 1 1 6 2736 1 1 7 SER N N -0.025 0.024 -3.438 1.00 . A A . 7 SER N 1 1 6 2737 1 1 7 SER O O -1.902 -1.658 -1.840 1.00 . A A . 7 SER O 1 1 6 2738 1 1 7 SER OG O 0.123 -2.694 -3.656 1.00 . A A . 7 SER OG 1 1 6 2739 1 1 8 CYS C C -4.615 -1.725 -1.381 1.00 . A A . 8 CYS C 1 1 6 2740 1 1 8 CYS CA C -4.291 -0.271 -1.727 1.00 . A A . 8 CYS CA 1 1 6 2741 1 1 8 CYS CB C -5.538 0.512 -2.124 1.00 . A A . 8 CYS CB 1 1 6 2742 1 1 8 CYS H H -3.453 0.434 -3.533 1.00 . A A . 8 CYS H 1 1 6 2743 1 1 8 CYS HA H -3.874 0.191 -0.847 1.00 . A A . 8 CYS HA 1 1 6 2744 1 1 8 CYS HB2 H -5.890 0.164 -3.082 1.00 . A A . 8 CYS HB2 1 1 6 2745 1 1 8 CYS HB3 H -6.300 0.358 -1.386 1.00 . A A . 8 CYS HB3 1 1 6 2746 1 1 8 CYS N N -3.296 -0.177 -2.784 1.00 . A A . 8 CYS N 1 1 6 2747 1 1 8 CYS O O -4.835 -2.562 -2.260 1.00 . A A . 8 CYS O 1 1 6 2748 1 1 8 CYS SG S -5.249 2.308 -2.251 1.00 . A A . 8 CYS SG 1 1 6 2749 1 1 9 HIS C C -6.226 -3.868 0.088 1.00 . A A . 9 HIS C 1 1 6 2750 1 1 9 HIS CA C -4.846 -3.334 0.464 1.00 . A A . 9 HIS CA 1 1 6 2751 1 1 9 HIS CB C -4.676 -3.301 1.991 1.00 . A A . 9 HIS CB 1 1 6 2752 1 1 9 HIS CD2 C -2.252 -3.719 2.832 1.00 . A A . 9 HIS CD2 1 1 6 2753 1 1 9 HIS CE1 C -2.409 -5.871 3.215 1.00 . A A . 9 HIS CE1 1 1 6 2754 1 1 9 HIS CG C -3.514 -4.098 2.511 1.00 . A A . 9 HIS CG 1 1 6 2755 1 1 9 HIS H H -4.382 -1.282 0.541 1.00 . A A . 9 HIS H 1 1 6 2756 1 1 9 HIS HA H -4.106 -3.996 0.054 1.00 . A A . 9 HIS HA 1 1 6 2757 1 1 9 HIS HB2 H -4.528 -2.282 2.300 1.00 . A A . 9 HIS HB2 1 1 6 2758 1 1 9 HIS HB3 H -5.572 -3.683 2.455 1.00 . A A . 9 HIS HB3 1 1 6 2759 1 1 9 HIS HD1 H -4.365 -6.026 2.640 1.00 . A A . 9 HIS HD1 1 1 6 2760 1 1 9 HIS HD2 H -1.835 -2.725 2.734 1.00 . A A . 9 HIS HD2 1 1 6 2761 1 1 9 HIS HE1 H -2.166 -6.884 3.495 1.00 . A A . 9 HIS HE1 1 1 6 2762 1 1 9 HIS HE2 H -0.671 -4.863 3.614 1.00 . A A . 9 HIS HE2 1 1 6 2763 1 1 9 HIS N N -4.598 -2.004 -0.082 1.00 . A A . 9 HIS N 1 1 6 2764 1 1 9 HIS ND1 N -3.576 -5.454 2.761 1.00 . A A . 9 HIS ND1 1 1 6 2765 1 1 9 HIS NE2 N -1.590 -4.841 3.266 1.00 . A A . 9 HIS NE2 1 1 6 2766 1 1 9 HIS O O -7.133 -3.913 0.918 1.00 . A A . 9 HIS O 1 1 6 2767 1 1 10 PHE C C -7.806 -6.270 -1.081 1.00 . A A . 10 PHE C 1 1 6 2768 1 1 10 PHE CA C -7.617 -4.865 -1.650 1.00 . A A . 10 PHE CA 1 1 6 2769 1 1 10 PHE CB C -7.614 -4.923 -3.184 1.00 . A A . 10 PHE CB 1 1 6 2770 1 1 10 PHE CD1 C -7.673 -2.404 -3.265 1.00 . A A . 10 PHE CD1 1 1 6 2771 1 1 10 PHE CD2 C -8.567 -3.630 -5.105 1.00 . A A . 10 PHE CD2 1 1 6 2772 1 1 10 PHE CE1 C -7.993 -1.219 -3.900 1.00 . A A . 10 PHE CE1 1 1 6 2773 1 1 10 PHE CE2 C -8.888 -2.448 -5.741 1.00 . A A . 10 PHE CE2 1 1 6 2774 1 1 10 PHE CG C -7.957 -3.624 -3.861 1.00 . A A . 10 PHE CG 1 1 6 2775 1 1 10 PHE CZ C -8.602 -1.241 -5.138 1.00 . A A . 10 PHE CZ 1 1 6 2776 1 1 10 PHE H H -5.596 -4.248 -1.764 1.00 . A A . 10 PHE H 1 1 6 2777 1 1 10 PHE HA H -8.429 -4.235 -1.316 1.00 . A A . 10 PHE HA 1 1 6 2778 1 1 10 PHE HB2 H -6.633 -5.218 -3.520 1.00 . A A . 10 PHE HB2 1 1 6 2779 1 1 10 PHE HB3 H -8.332 -5.662 -3.507 1.00 . A A . 10 PHE HB3 1 1 6 2780 1 1 10 PHE HD1 H -7.199 -2.383 -2.297 1.00 . A A . 10 PHE HD1 1 1 6 2781 1 1 10 PHE HD2 H -8.792 -4.573 -5.580 1.00 . A A . 10 PHE HD2 1 1 6 2782 1 1 10 PHE HE1 H -7.769 -0.275 -3.426 1.00 . A A . 10 PHE HE1 1 1 6 2783 1 1 10 PHE HE2 H -9.362 -2.468 -6.710 1.00 . A A . 10 PHE HE2 1 1 6 2784 1 1 10 PHE HZ H -8.853 -0.316 -5.635 1.00 . A A . 10 PHE HZ 1 1 6 2785 1 1 10 PHE N N -6.366 -4.295 -1.159 1.00 . A A . 10 PHE N 1 1 6 2786 1 1 10 PHE O O -8.192 -7.199 -1.793 1.00 . A A . 10 PHE O 1 1 6 2787 1 1 11 GLY C C -6.862 -8.795 0.131 1.00 . A A . 11 GLY C 1 1 6 2788 1 1 11 GLY CA C -7.653 -7.713 0.842 1.00 . A A . 11 GLY CA 1 1 6 2789 1 1 11 GLY H H -7.214 -5.655 0.719 1.00 . A A . 11 GLY H 1 1 6 2790 1 1 11 GLY HA2 H -7.303 -7.633 1.860 1.00 . A A . 11 GLY HA2 1 1 6 2791 1 1 11 GLY HA3 H -8.697 -7.993 0.854 1.00 . A A . 11 GLY HA3 1 1 6 2792 1 1 11 GLY N N -7.521 -6.424 0.202 1.00 . A A . 11 GLY N 1 1 6 2793 1 1 11 GLY O O -7.294 -9.949 0.068 1.00 . A A . 11 GLY O 1 1 6 2794 1 1 12 GLY C C -3.491 -8.876 -1.424 1.00 . A A . 12 GLY C 1 1 6 2795 1 1 12 GLY CA C -4.883 -9.394 -1.112 1.00 . A A . 12 GLY CA 1 1 6 2796 1 1 12 GLY H H -5.409 -7.496 -0.337 1.00 . A A . 12 GLY H 1 1 6 2797 1 1 12 GLY HA2 H -4.794 -10.282 -0.503 1.00 . A A . 12 GLY HA2 1 1 6 2798 1 1 12 GLY HA3 H -5.371 -9.657 -2.038 1.00 . A A . 12 GLY HA3 1 1 6 2799 1 1 12 GLY N N -5.705 -8.427 -0.410 1.00 . A A . 12 GLY N 1 1 6 2800 1 1 12 GLY O O -2.936 -9.172 -2.482 1.00 . A A . 12 GLY O 1 1 6 2801 1 1 13 CYS C C -0.530 -8.589 -0.202 1.00 . A A . 13 CYS C 1 1 6 2802 1 1 13 CYS CA C -1.567 -7.587 -0.694 1.00 . A A . 13 CYS CA 1 1 6 2803 1 1 13 CYS CB C -1.389 -6.255 0.037 1.00 . A A . 13 CYS CB 1 1 6 2804 1 1 13 CYS H H -3.392 -7.925 0.328 1.00 . A A . 13 CYS H 1 1 6 2805 1 1 13 CYS HA H -1.425 -7.426 -1.751 1.00 . A A . 13 CYS HA 1 1 6 2806 1 1 13 CYS HB2 H -1.769 -6.352 1.039 1.00 . A A . 13 CYS HB2 1 1 6 2807 1 1 13 CYS HB3 H -0.337 -6.013 0.078 1.00 . A A . 13 CYS HB3 1 1 6 2808 1 1 13 CYS N N -2.913 -8.117 -0.504 1.00 . A A . 13 CYS N 1 1 6 2809 1 1 13 CYS O O -0.651 -9.122 0.901 1.00 . A A . 13 CYS O 1 1 6 2810 1 1 13 CYS SG S -2.248 -4.851 -0.747 1.00 . A A . 13 CYS SG 1 1 6 2811 1 1 14 PRO C C 2.222 -9.431 0.683 1.00 . A A . 14 PRO C 1 1 6 2812 1 1 14 PRO CA C 1.559 -9.805 -0.640 1.00 . A A . 14 PRO CA 1 1 6 2813 1 1 14 PRO CB C 2.568 -9.699 -1.788 1.00 . A A . 14 PRO CB 1 1 6 2814 1 1 14 PRO CD C 0.732 -8.272 -2.342 1.00 . A A . 14 PRO CD 1 1 6 2815 1 1 14 PRO CG C 1.795 -9.150 -2.936 1.00 . A A . 14 PRO CG 1 1 6 2816 1 1 14 PRO HA H 1.180 -10.815 -0.579 1.00 . A A . 14 PRO HA 1 1 6 2817 1 1 14 PRO HB2 H 3.374 -9.037 -1.504 1.00 . A A . 14 PRO HB2 1 1 6 2818 1 1 14 PRO HB3 H 2.964 -10.678 -2.013 1.00 . A A . 14 PRO HB3 1 1 6 2819 1 1 14 PRO HD2 H 1.085 -7.254 -2.259 1.00 . A A . 14 PRO HD2 1 1 6 2820 1 1 14 PRO HD3 H -0.165 -8.314 -2.940 1.00 . A A . 14 PRO HD3 1 1 6 2821 1 1 14 PRO HG2 H 2.448 -8.570 -3.572 1.00 . A A . 14 PRO HG2 1 1 6 2822 1 1 14 PRO HG3 H 1.347 -9.957 -3.495 1.00 . A A . 14 PRO HG3 1 1 6 2823 1 1 14 PRO N N 0.505 -8.861 -1.009 1.00 . A A . 14 PRO N 1 1 6 2824 1 1 14 PRO O O 2.470 -8.255 0.954 1.00 . A A . 14 PRO O 1 1 6 2825 1 1 15 SER C C 2.434 -9.114 3.577 1.00 . A A . 15 SER C 1 1 6 2826 1 1 15 SER CA C 3.150 -10.213 2.787 1.00 . A A . 15 SER CA 1 1 6 2827 1 1 15 SER CB C 4.628 -9.857 2.577 1.00 . A A . 15 SER CB 1 1 6 2828 1 1 15 SER H H 2.288 -11.347 1.228 1.00 . A A . 15 SER H 1 1 6 2829 1 1 15 SER HA H 3.089 -11.134 3.345 1.00 . A A . 15 SER HA 1 1 6 2830 1 1 15 SER HB2 H 5.113 -10.654 2.031 1.00 . A A . 15 SER HB2 1 1 6 2831 1 1 15 SER HB3 H 4.699 -8.940 2.010 1.00 . A A . 15 SER HB3 1 1 6 2832 1 1 15 SER HG H 5.946 -10.388 3.929 1.00 . A A . 15 SER HG 1 1 6 2833 1 1 15 SER N N 2.509 -10.432 1.500 1.00 . A A . 15 SER N 1 1 6 2834 1 1 15 SER O O 1.203 -9.061 3.612 1.00 . A A . 15 SER O 1 1 6 2835 1 1 15 SER OG O 5.300 -9.682 3.814 1.00 . A A . 15 SER OG 1 1 6 2836 1 1 16 HIS C C 3.246 -5.822 4.560 1.00 . A A . 16 HIS C 1 1 6 2837 1 1 16 HIS CA C 2.669 -7.155 5.014 1.00 . A A . 16 HIS CA 1 1 6 2838 1 1 16 HIS CB C 2.996 -7.391 6.490 1.00 . A A . 16 HIS CB 1 1 6 2839 1 1 16 HIS CD2 C 5.257 -8.527 7.056 1.00 . A A . 16 HIS CD2 1 1 6 2840 1 1 16 HIS CE1 C 6.537 -6.755 7.010 1.00 . A A . 16 HIS CE1 1 1 6 2841 1 1 16 HIS CG C 4.468 -7.467 6.768 1.00 . A A . 16 HIS CG 1 1 6 2842 1 1 16 HIS H H 4.185 -8.345 4.148 1.00 . A A . 16 HIS H 1 1 6 2843 1 1 16 HIS HA H 1.597 -7.137 4.887 1.00 . A A . 16 HIS HA 1 1 6 2844 1 1 16 HIS HB2 H 2.587 -6.583 7.076 1.00 . A A . 16 HIS HB2 1 1 6 2845 1 1 16 HIS HB3 H 2.547 -8.322 6.807 1.00 . A A . 16 HIS HB3 1 1 6 2846 1 1 16 HIS HD1 H 5.035 -5.447 6.551 1.00 . A A . 16 HIS HD1 1 1 6 2847 1 1 16 HIS HD2 H 4.938 -9.555 7.134 1.00 . A A . 16 HIS HD2 1 1 6 2848 1 1 16 HIS HE1 H 7.401 -6.110 7.061 1.00 . A A . 16 HIS HE1 1 1 6 2849 1 1 16 HIS HE2 H 7.280 -8.564 7.600 1.00 . A A . 16 HIS HE2 1 1 6 2850 1 1 16 HIS N N 3.211 -8.245 4.213 1.00 . A A . 16 HIS N 1 1 6 2851 1 1 16 HIS ND1 N 5.304 -6.373 6.745 1.00 . A A . 16 HIS ND1 1 1 6 2852 1 1 16 HIS NE2 N 6.537 -8.058 7.205 1.00 . A A . 16 HIS NE2 1 1 6 2853 1 1 16 HIS O O 3.674 -5.008 5.377 1.00 . A A . 16 HIS O 1 1 6 2854 1 1 17 LEU C C 3.476 -3.183 3.535 1.00 . A A . 17 LEU C 1 1 6 2855 1 1 17 LEU CA C 3.791 -4.392 2.662 1.00 . A A . 17 LEU CA 1 1 6 2856 1 1 17 LEU CB C 3.207 -4.181 1.266 1.00 . A A . 17 LEU CB 1 1 6 2857 1 1 17 LEU CD1 C 2.828 -5.027 -1.063 1.00 . A A . 17 LEU CD1 1 1 6 2858 1 1 17 LEU CD2 C 4.607 -6.067 0.371 1.00 . A A . 17 LEU CD2 1 1 6 2859 1 1 17 LEU CG C 3.233 -5.407 0.353 1.00 . A A . 17 LEU CG 1 1 6 2860 1 1 17 LEU H H 2.903 -6.312 2.659 1.00 . A A . 17 LEU H 1 1 6 2861 1 1 17 LEU HA H 4.863 -4.498 2.583 1.00 . A A . 17 LEU HA 1 1 6 2862 1 1 17 LEU HB2 H 2.183 -3.864 1.380 1.00 . A A . 17 LEU HB2 1 1 6 2863 1 1 17 LEU HB3 H 3.757 -3.390 0.785 1.00 . A A . 17 LEU HB3 1 1 6 2864 1 1 17 LEU HD11 H 3.415 -4.183 -1.393 1.00 . A A . 17 LEU HD11 1 1 6 2865 1 1 17 LEU HD12 H 1.780 -4.764 -1.078 1.00 . A A . 17 LEU HD12 1 1 6 2866 1 1 17 LEU HD13 H 2.997 -5.864 -1.724 1.00 . A A . 17 LEU HD13 1 1 6 2867 1 1 17 LEU HD21 H 5.372 -5.313 0.253 1.00 . A A . 17 LEU HD21 1 1 6 2868 1 1 17 LEU HD22 H 4.676 -6.779 -0.438 1.00 . A A . 17 LEU HD22 1 1 6 2869 1 1 17 LEU HD23 H 4.750 -6.579 1.314 1.00 . A A . 17 LEU HD23 1 1 6 2870 1 1 17 LEU HG H 2.515 -6.123 0.716 1.00 . A A . 17 LEU HG 1 1 6 2871 1 1 17 LEU N N 3.259 -5.616 3.250 1.00 . A A . 17 LEU N 1 1 6 2872 1 1 17 LEU O O 2.369 -3.059 4.066 1.00 . A A . 17 LEU O 1 1 6 2873 1 1 18 ILE C C 3.054 -0.316 4.065 1.00 . A A . 18 ILE C 1 1 6 2874 1 1 18 ILE CA C 4.285 -1.105 4.493 1.00 . A A . 18 ILE CA 1 1 6 2875 1 1 18 ILE CB C 5.528 -0.189 4.427 1.00 . A A . 18 ILE CB 1 1 6 2876 1 1 18 ILE CD1 C 7.071 1.065 2.833 1.00 . A A . 18 ILE CD1 1 1 6 2877 1 1 18 ILE CG1 C 5.922 0.090 2.973 1.00 . A A . 18 ILE CG1 1 1 6 2878 1 1 18 ILE CG2 C 6.690 -0.815 5.186 1.00 . A A . 18 ILE CG2 1 1 6 2879 1 1 18 ILE H H 5.309 -2.456 3.233 1.00 . A A . 18 ILE H 1 1 6 2880 1 1 18 ILE HA H 4.155 -1.421 5.518 1.00 . A A . 18 ILE HA 1 1 6 2881 1 1 18 ILE HB H 5.281 0.744 4.908 1.00 . A A . 18 ILE HB 1 1 6 2882 1 1 18 ILE HD11 H 6.854 1.962 3.393 1.00 . A A . 18 ILE HD11 1 1 6 2883 1 1 18 ILE HD12 H 7.204 1.314 1.790 1.00 . A A . 18 ILE HD12 1 1 6 2884 1 1 18 ILE HD13 H 7.975 0.613 3.213 1.00 . A A . 18 ILE HD13 1 1 6 2885 1 1 18 ILE HG12 H 6.220 -0.835 2.506 1.00 . A A . 18 ILE HG12 1 1 6 2886 1 1 18 ILE HG13 H 5.073 0.499 2.446 1.00 . A A . 18 ILE HG13 1 1 6 2887 1 1 18 ILE HG21 H 7.462 -0.074 5.339 1.00 . A A . 18 ILE HG21 1 1 6 2888 1 1 18 ILE HG22 H 7.093 -1.639 4.614 1.00 . A A . 18 ILE HG22 1 1 6 2889 1 1 18 ILE HG23 H 6.344 -1.176 6.144 1.00 . A A . 18 ILE HG23 1 1 6 2890 1 1 18 ILE N N 4.453 -2.299 3.681 1.00 . A A . 18 ILE N 1 1 6 2891 1 1 18 ILE O O 2.861 -0.027 2.882 1.00 . A A . 18 ILE O 1 1 6 2892 1 1 19 LYS C C 1.370 2.242 4.480 1.00 . A A . 19 LYS C 1 1 6 2893 1 1 19 LYS CA C 1.020 0.795 4.799 1.00 . A A . 19 LYS CA 1 1 6 2894 1 1 19 LYS CB C 0.090 0.711 6.013 1.00 . A A . 19 LYS CB 1 1 6 2895 1 1 19 LYS CD C -2.096 1.399 7.077 1.00 . A A . 19 LYS CD 1 1 6 2896 1 1 19 LYS CE C -1.458 1.576 8.448 1.00 . A A . 19 LYS CE 1 1 6 2897 1 1 19 LYS CG C -1.109 1.648 5.946 1.00 . A A . 19 LYS CG 1 1 6 2898 1 1 19 LYS H H 2.452 -0.229 5.959 1.00 . A A . 19 LYS H 1 1 6 2899 1 1 19 LYS HA H 0.521 0.362 3.943 1.00 . A A . 19 LYS HA 1 1 6 2900 1 1 19 LYS HB2 H -0.279 -0.300 6.093 1.00 . A A . 19 LYS HB2 1 1 6 2901 1 1 19 LYS HB3 H 0.658 0.950 6.899 1.00 . A A . 19 LYS HB3 1 1 6 2902 1 1 19 LYS HD2 H -2.911 2.099 6.982 1.00 . A A . 19 LYS HD2 1 1 6 2903 1 1 19 LYS HD3 H -2.475 0.392 6.993 1.00 . A A . 19 LYS HD3 1 1 6 2904 1 1 19 LYS HE2 H -0.919 2.511 8.462 1.00 . A A . 19 LYS HE2 1 1 6 2905 1 1 19 LYS HE3 H -2.242 1.606 9.189 1.00 . A A . 19 LYS HE3 1 1 6 2906 1 1 19 LYS HG2 H -0.763 2.667 6.013 1.00 . A A . 19 LYS HG2 1 1 6 2907 1 1 19 LYS HG3 H -1.612 1.503 5.003 1.00 . A A . 19 LYS HG3 1 1 6 2908 1 1 19 LYS HZ1 H -0.813 0.010 9.667 1.00 . A A . 19 LYS HZ1 1 1 6 2909 1 1 19 LYS HZ2 H 0.446 0.849 8.915 1.00 . A A . 19 LYS HZ2 1 1 6 2910 1 1 19 LYS HZ3 H -0.502 -0.235 8.028 1.00 . A A . 19 LYS HZ3 1 1 6 2911 1 1 19 LYS N N 2.231 0.032 5.041 1.00 . A A . 19 LYS N 1 1 6 2912 1 1 19 LYS NZ N -0.517 0.474 8.786 1.00 . A A . 19 LYS NZ 1 1 6 2913 1 1 19 LYS O O 1.173 3.144 5.297 1.00 . A A . 19 LYS O 1 1 6 2914 1 1 20 VAL C C 1.055 4.599 2.447 1.00 . A A . 20 VAL C 1 1 6 2915 1 1 20 VAL CA C 2.284 3.788 2.853 1.00 . A A . 20 VAL CA 1 1 6 2916 1 1 20 VAL CB C 3.290 3.727 1.684 1.00 . A A . 20 VAL CB 1 1 6 2917 1 1 20 VAL CG1 C 4.642 3.223 2.172 1.00 . A A . 20 VAL CG1 1 1 6 2918 1 1 20 VAL CG2 C 2.760 2.843 0.564 1.00 . A A . 20 VAL CG2 1 1 6 2919 1 1 20 VAL H H 2.038 1.693 2.685 1.00 . A A . 20 VAL H 1 1 6 2920 1 1 20 VAL HA H 2.765 4.282 3.685 1.00 . A A . 20 VAL HA 1 1 6 2921 1 1 20 VAL HB H 3.423 4.726 1.295 1.00 . A A . 20 VAL HB 1 1 6 2922 1 1 20 VAL HG11 H 4.511 2.671 3.092 1.00 . A A . 20 VAL HG11 1 1 6 2923 1 1 20 VAL HG12 H 5.297 4.063 2.348 1.00 . A A . 20 VAL HG12 1 1 6 2924 1 1 20 VAL HG13 H 5.078 2.577 1.425 1.00 . A A . 20 VAL HG13 1 1 6 2925 1 1 20 VAL HG21 H 2.691 1.823 0.911 1.00 . A A . 20 VAL HG21 1 1 6 2926 1 1 20 VAL HG22 H 3.433 2.887 -0.278 1.00 . A A . 20 VAL HG22 1 1 6 2927 1 1 20 VAL HG23 H 1.784 3.187 0.260 1.00 . A A . 20 VAL HG23 1 1 6 2928 1 1 20 VAL N N 1.900 2.456 3.291 1.00 . A A . 20 VAL N 1 1 6 2929 1 1 20 VAL O O 1.027 5.222 1.386 1.00 . A A . 20 VAL O 1 1 6 2930 1 1 21 GLY C C -2.381 4.373 2.994 1.00 . A A . 21 GLY C 1 1 6 2931 1 1 21 GLY CA C -1.189 5.301 3.029 1.00 . A A . 21 GLY CA 1 1 6 2932 1 1 21 GLY H H 0.118 4.057 4.126 1.00 . A A . 21 GLY H 1 1 6 2933 1 1 21 GLY HA2 H -1.339 6.039 3.803 1.00 . A A . 21 GLY HA2 1 1 6 2934 1 1 21 GLY HA3 H -1.106 5.801 2.076 1.00 . A A . 21 GLY HA3 1 1 6 2935 1 1 21 GLY N N 0.038 4.578 3.299 1.00 . A A . 21 GLY N 1 1 6 2936 1 1 21 GLY O O -2.325 3.269 3.540 1.00 . A A . 21 GLY O 1 1 6 2937 1 1 22 SER C C -5.723 4.627 1.407 1.00 . A A . 22 SER C 1 1 6 2938 1 1 22 SER CA C -4.648 3.966 2.250 1.00 . A A . 22 SER CA 1 1 6 2939 1 1 22 SER CB C -5.201 3.673 3.644 1.00 . A A . 22 SER CB 1 1 6 2940 1 1 22 SER H H -3.448 5.677 1.914 1.00 . A A . 22 SER H 1 1 6 2941 1 1 22 SER HA H -4.368 3.034 1.785 1.00 . A A . 22 SER HA 1 1 6 2942 1 1 22 SER HB2 H -6.186 3.240 3.555 1.00 . A A . 22 SER HB2 1 1 6 2943 1 1 22 SER HB3 H -4.551 2.982 4.146 1.00 . A A . 22 SER HB3 1 1 6 2944 1 1 22 SER HG H -4.411 5.229 4.539 1.00 . A A . 22 SER HG 1 1 6 2945 1 1 22 SER N N -3.456 4.793 2.345 1.00 . A A . 22 SER N 1 1 6 2946 1 1 22 SER O O -5.971 5.828 1.522 1.00 . A A . 22 SER O 1 1 6 2947 1 1 22 SER OG O -5.295 4.860 4.415 1.00 . A A . 22 SER OG 1 1 6 2948 1 1 23 CYS C C -8.587 4.847 0.612 1.00 . A A . 23 CYS C 1 1 6 2949 1 1 23 CYS CA C -7.454 4.324 -0.265 1.00 . A A . 23 CYS CA 1 1 6 2950 1 1 23 CYS CB C -7.968 3.223 -1.203 1.00 . A A . 23 CYS CB 1 1 6 2951 1 1 23 CYS H H -6.138 2.875 0.554 1.00 . A A . 23 CYS H 1 1 6 2952 1 1 23 CYS HA H -7.063 5.140 -0.855 1.00 . A A . 23 CYS HA 1 1 6 2953 1 1 23 CYS HB2 H -7.898 2.271 -0.700 1.00 . A A . 23 CYS HB2 1 1 6 2954 1 1 23 CYS HB3 H -9.001 3.420 -1.444 1.00 . A A . 23 CYS HB3 1 1 6 2955 1 1 23 CYS N N -6.376 3.827 0.580 1.00 . A A . 23 CYS N 1 1 6 2956 1 1 23 CYS O O -9.199 5.876 0.318 1.00 . A A . 23 CYS O 1 1 6 2957 1 1 23 CYS SG S -7.053 3.074 -2.776 1.00 . A A . 23 CYS SG 1 1 6 2958 1 1 24 PHE C C -9.866 3.577 3.843 1.00 . A A . 24 PHE C 1 1 6 2959 1 1 24 PHE CA C -9.902 4.502 2.637 1.00 . A A . 24 PHE CA 1 1 6 2960 1 1 24 PHE CB C -11.277 4.448 1.971 1.00 . A A . 24 PHE CB 1 1 6 2961 1 1 24 PHE CD1 C -12.318 5.958 3.685 1.00 . A A . 24 PHE CD1 1 1 6 2962 1 1 24 PHE CD2 C -13.550 4.049 2.964 1.00 . A A . 24 PHE CD2 1 1 6 2963 1 1 24 PHE CE1 C -13.348 6.307 4.534 1.00 . A A . 24 PHE CE1 1 1 6 2964 1 1 24 PHE CE2 C -14.586 4.395 3.811 1.00 . A A . 24 PHE CE2 1 1 6 2965 1 1 24 PHE CG C -12.406 4.826 2.891 1.00 . A A . 24 PHE CG 1 1 6 2966 1 1 24 PHE CZ C -14.484 5.524 4.597 1.00 . A A . 24 PHE CZ 1 1 6 2967 1 1 24 PHE H H -8.326 3.324 1.874 1.00 . A A . 24 PHE H 1 1 6 2968 1 1 24 PHE HA H -9.709 5.512 2.965 1.00 . A A . 24 PHE HA 1 1 6 2969 1 1 24 PHE HB2 H -11.285 5.129 1.138 1.00 . A A . 24 PHE HB2 1 1 6 2970 1 1 24 PHE HB3 H -11.458 3.445 1.613 1.00 . A A . 24 PHE HB3 1 1 6 2971 1 1 24 PHE HD1 H -11.431 6.573 3.637 1.00 . A A . 24 PHE HD1 1 1 6 2972 1 1 24 PHE HD2 H -13.631 3.164 2.351 1.00 . A A . 24 PHE HD2 1 1 6 2973 1 1 24 PHE HE1 H -13.265 7.190 5.147 1.00 . A A . 24 PHE HE1 1 1 6 2974 1 1 24 PHE HE2 H -15.472 3.781 3.859 1.00 . A A . 24 PHE HE2 1 1 6 2975 1 1 24 PHE HZ H -15.292 5.796 5.261 1.00 . A A . 24 PHE HZ 1 1 6 2976 1 1 24 PHE N N -8.853 4.129 1.697 1.00 . A A . 24 PHE N 1 1 6 2977 1 1 24 PHE O O -10.852 2.916 4.174 1.00 . A A . 24 PHE O 1 1 6 2978 1 1 25 GLY C C -8.151 1.264 5.256 1.00 . A A . 25 GLY C 1 1 6 2979 1 1 25 GLY CA C -8.547 2.673 5.642 1.00 . A A . 25 GLY CA 1 1 6 2980 1 1 25 GLY H H -7.969 4.067 4.161 1.00 . A A . 25 GLY H 1 1 6 2981 1 1 25 GLY HA2 H -7.777 3.092 6.273 1.00 . A A . 25 GLY HA2 1 1 6 2982 1 1 25 GLY HA3 H -9.474 2.638 6.192 1.00 . A A . 25 GLY HA3 1 1 6 2983 1 1 25 GLY N N -8.716 3.525 4.483 1.00 . A A . 25 GLY N 1 1 6 2984 1 1 25 GLY O O -7.101 1.062 4.644 1.00 . A A . 25 GLY O 1 1 6 2985 1 1 26 PHE C C -7.818 -1.297 4.131 1.00 . A A . 26 PHE C 1 1 6 2986 1 1 26 PHE CA C -8.746 -1.116 5.330 1.00 . A A . 26 PHE CA 1 1 6 2987 1 1 26 PHE CB C -10.074 -1.828 5.062 1.00 . A A . 26 PHE CB 1 1 6 2988 1 1 26 PHE CD1 C -9.170 -4.170 5.201 1.00 . A A . 26 PHE CD1 1 1 6 2989 1 1 26 PHE CD2 C -10.498 -3.576 3.310 1.00 . A A . 26 PHE CD2 1 1 6 2990 1 1 26 PHE CE1 C -9.014 -5.445 4.694 1.00 . A A . 26 PHE CE1 1 1 6 2991 1 1 26 PHE CE2 C -10.347 -4.851 2.800 1.00 . A A . 26 PHE CE2 1 1 6 2992 1 1 26 PHE CG C -9.913 -3.221 4.516 1.00 . A A . 26 PHE CG 1 1 6 2993 1 1 26 PHE CZ C -9.604 -5.786 3.492 1.00 . A A . 26 PHE CZ 1 1 6 2994 1 1 26 PHE H H -9.802 0.541 6.111 1.00 . A A . 26 PHE H 1 1 6 2995 1 1 26 PHE HA H -8.283 -1.557 6.199 1.00 . A A . 26 PHE HA 1 1 6 2996 1 1 26 PHE HB2 H -10.629 -1.896 5.986 1.00 . A A . 26 PHE HB2 1 1 6 2997 1 1 26 PHE HB3 H -10.645 -1.253 4.347 1.00 . A A . 26 PHE HB3 1 1 6 2998 1 1 26 PHE HD1 H -8.710 -3.904 6.141 1.00 . A A . 26 PHE HD1 1 1 6 2999 1 1 26 PHE HD2 H -11.081 -2.845 2.768 1.00 . A A . 26 PHE HD2 1 1 6 3000 1 1 26 PHE HE1 H -8.432 -6.175 5.237 1.00 . A A . 26 PHE HE1 1 1 6 3001 1 1 26 PHE HE2 H -10.809 -5.115 1.860 1.00 . A A . 26 PHE HE2 1 1 6 3002 1 1 26 PHE HZ H -9.483 -6.782 3.093 1.00 . A A . 26 PHE HZ 1 1 6 3003 1 1 26 PHE N N -8.990 0.297 5.620 1.00 . A A . 26 PHE N 1 1 6 3004 1 1 26 PHE O O -6.829 -2.030 4.205 1.00 . A A . 26 PHE O 1 1 6 3005 1 1 27 ARG C C -6.042 0.072 1.959 1.00 . A A . 27 ARG C 1 1 6 3006 1 1 27 ARG CA C -7.348 -0.708 1.821 1.00 . A A . 27 ARG CA 1 1 6 3007 1 1 27 ARG CB C -8.132 -0.194 0.616 1.00 . A A . 27 ARG CB 1 1 6 3008 1 1 27 ARG CD C -9.906 -0.607 -1.087 1.00 . A A . 27 ARG CD 1 1 6 3009 1 1 27 ARG CG C -9.354 -1.016 0.266 1.00 . A A . 27 ARG CG 1 1 6 3010 1 1 27 ARG CZ C -11.917 -1.017 -2.461 1.00 . A A . 27 ARG CZ 1 1 6 3011 1 1 27 ARG H H -8.945 -0.062 3.045 1.00 . A A . 27 ARG H 1 1 6 3012 1 1 27 ARG HA H -7.108 -1.748 1.658 1.00 . A A . 27 ARG HA 1 1 6 3013 1 1 27 ARG HB2 H -8.452 0.817 0.811 1.00 . A A . 27 ARG HB2 1 1 6 3014 1 1 27 ARG HB3 H -7.483 -0.196 -0.236 1.00 . A A . 27 ARG HB3 1 1 6 3015 1 1 27 ARG HD2 H -9.973 0.468 -1.125 1.00 . A A . 27 ARG HD2 1 1 6 3016 1 1 27 ARG HD3 H -9.225 -0.947 -1.852 1.00 . A A . 27 ARG HD3 1 1 6 3017 1 1 27 ARG HE H -11.610 -1.738 -0.622 1.00 . A A . 27 ARG HE 1 1 6 3018 1 1 27 ARG HG2 H -9.075 -2.058 0.232 1.00 . A A . 27 ARG HG2 1 1 6 3019 1 1 27 ARG HG3 H -10.112 -0.865 1.019 1.00 . A A . 27 ARG HG3 1 1 6 3020 1 1 27 ARG HH11 H -10.547 0.184 -3.349 1.00 . A A . 27 ARG HH11 1 1 6 3021 1 1 27 ARG HH12 H -11.968 -0.143 -4.288 1.00 . A A . 27 ARG HH12 1 1 6 3022 1 1 27 ARG HH21 H -13.467 -2.164 -1.853 1.00 . A A . 27 ARG HH21 1 1 6 3023 1 1 27 ARG HH22 H -13.627 -1.475 -3.436 1.00 . A A . 27 ARG HH22 1 1 6 3024 1 1 27 ARG N N -8.145 -0.628 3.036 1.00 . A A . 27 ARG N 1 1 6 3025 1 1 27 ARG NE N -11.222 -1.185 -1.338 1.00 . A A . 27 ARG NE 1 1 6 3026 1 1 27 ARG NH1 N -11.437 -0.265 -3.445 1.00 . A A . 27 ARG NH1 1 1 6 3027 1 1 27 ARG NH2 N -13.097 -1.599 -2.595 1.00 . A A . 27 ARG NH2 1 1 6 3028 1 1 27 ARG O O -5.779 1.010 1.197 1.00 . A A . 27 ARG O 1 1 6 3029 1 1 28 SER C C -3.065 0.260 1.923 1.00 . A A . 28 SER C 1 1 6 3030 1 1 28 SER CA C -3.950 0.317 3.168 1.00 . A A . 28 SER CA 1 1 6 3031 1 1 28 SER CB C -3.262 -0.371 4.348 1.00 . A A . 28 SER CB 1 1 6 3032 1 1 28 SER H H -5.498 -1.074 3.493 1.00 . A A . 28 SER H 1 1 6 3033 1 1 28 SER HA H -4.133 1.346 3.419 1.00 . A A . 28 SER HA 1 1 6 3034 1 1 28 SER HB2 H -2.197 -0.208 4.287 1.00 . A A . 28 SER HB2 1 1 6 3035 1 1 28 SER HB3 H -3.638 0.041 5.272 1.00 . A A . 28 SER HB3 1 1 6 3036 1 1 28 SER HG H -3.669 -2.070 5.235 1.00 . A A . 28 SER HG 1 1 6 3037 1 1 28 SER N N -5.232 -0.322 2.924 1.00 . A A . 28 SER N 1 1 6 3038 1 1 28 SER O O -2.862 -0.805 1.344 1.00 . A A . 28 SER O 1 1 6 3039 1 1 28 SER OG O -3.510 -1.769 4.335 1.00 . A A . 28 SER OG 1 1 6 3040 1 1 29 CYS C C -0.436 0.642 0.550 1.00 . A A . 29 CYS C 1 1 6 3041 1 1 29 CYS CA C -1.691 1.488 0.340 1.00 . A A . 29 CYS CA 1 1 6 3042 1 1 29 CYS CB C -1.357 2.953 0.049 1.00 . A A . 29 CYS CB 1 1 6 3043 1 1 29 CYS H H -2.749 2.225 2.014 1.00 . A A . 29 CYS H 1 1 6 3044 1 1 29 CYS HA H -2.240 1.084 -0.494 1.00 . A A . 29 CYS HA 1 1 6 3045 1 1 29 CYS HB2 H -0.846 3.378 0.900 1.00 . A A . 29 CYS HB2 1 1 6 3046 1 1 29 CYS HB3 H -0.717 3.014 -0.818 1.00 . A A . 29 CYS HB3 1 1 6 3047 1 1 29 CYS N N -2.549 1.407 1.514 1.00 . A A . 29 CYS N 1 1 6 3048 1 1 29 CYS O O 0.530 1.073 1.179 1.00 . A A . 29 CYS O 1 1 6 3049 1 1 29 CYS SG S -2.843 3.968 -0.277 1.00 . A A . 29 CYS SG 1 1 6 3050 1 1 30 CYS C C 1.742 -1.276 -0.776 1.00 . A A . 30 CYS C 1 1 6 3051 1 1 30 CYS CA C 0.583 -1.555 0.179 1.00 . A A . 30 CYS CA 1 1 6 3052 1 1 30 CYS CB C 0.045 -2.960 -0.122 1.00 . A A . 30 CYS CB 1 1 6 3053 1 1 30 CYS H H -1.312 -0.861 -0.413 1.00 . A A . 30 CYS H 1 1 6 3054 1 1 30 CYS HA H 0.943 -1.526 1.195 1.00 . A A . 30 CYS HA 1 1 6 3055 1 1 30 CYS HB2 H 0.114 -3.144 -1.182 1.00 . A A . 30 CYS HB2 1 1 6 3056 1 1 30 CYS HB3 H 0.648 -3.682 0.399 1.00 . A A . 30 CYS HB3 1 1 6 3057 1 1 30 CYS N N -0.494 -0.585 0.045 1.00 . A A . 30 CYS N 1 1 6 3058 1 1 30 CYS O O 1.534 -1.067 -1.972 1.00 . A A . 30 CYS O 1 1 6 3059 1 1 30 CYS SG S -1.686 -3.245 0.367 1.00 . A A . 30 CYS SG 1 1 6 3060 1 1 31 LYS C C 5.319 -1.888 -0.449 1.00 . A A . 31 LYS C 1 1 6 3061 1 1 31 LYS CA C 4.152 -1.155 -1.079 1.00 . A A . 31 LYS CA 1 1 6 3062 1 1 31 LYS CB C 4.517 0.316 -1.288 1.00 . A A . 31 LYS CB 1 1 6 3063 1 1 31 LYS CD C 6.117 1.944 -2.420 1.00 . A A . 31 LYS CD 1 1 6 3064 1 1 31 LYS CE C 6.314 2.734 -1.136 1.00 . A A . 31 LYS CE 1 1 6 3065 1 1 31 LYS CG C 5.758 0.487 -2.160 1.00 . A A . 31 LYS CG 1 1 6 3066 1 1 31 LYS H H 3.068 -1.549 0.691 1.00 . A A . 31 LYS H 1 1 6 3067 1 1 31 LYS HA H 3.952 -1.604 -2.043 1.00 . A A . 31 LYS HA 1 1 6 3068 1 1 31 LYS HB2 H 3.694 0.811 -1.770 1.00 . A A . 31 LYS HB2 1 1 6 3069 1 1 31 LYS HB3 H 4.704 0.777 -0.330 1.00 . A A . 31 LYS HB3 1 1 6 3070 1 1 31 LYS HD2 H 7.034 1.976 -2.982 1.00 . A A . 31 LYS HD2 1 1 6 3071 1 1 31 LYS HD3 H 5.332 2.400 -2.999 1.00 . A A . 31 LYS HD3 1 1 6 3072 1 1 31 LYS HE2 H 5.377 2.773 -0.604 1.00 . A A . 31 LYS HE2 1 1 6 3073 1 1 31 LYS HE3 H 7.053 2.234 -0.529 1.00 . A A . 31 LYS HE3 1 1 6 3074 1 1 31 LYS HG2 H 6.594 0.010 -1.673 1.00 . A A . 31 LYS HG2 1 1 6 3075 1 1 31 LYS HG3 H 5.573 0.004 -3.111 1.00 . A A . 31 LYS HG3 1 1 6 3076 1 1 31 LYS HZ1 H 7.275 4.502 -0.590 1.00 . A A . 31 LYS HZ1 1 1 6 3077 1 1 31 LYS HZ2 H 5.956 4.732 -1.618 1.00 . A A . 31 LYS HZ2 1 1 6 3078 1 1 31 LYS HZ3 H 7.411 4.131 -2.230 1.00 . A A . 31 LYS HZ3 1 1 6 3079 1 1 31 LYS N N 2.960 -1.337 -0.261 1.00 . A A . 31 LYS N 1 1 6 3080 1 1 31 LYS NZ N 6.769 4.122 -1.411 1.00 . A A . 31 LYS NZ 1 1 6 3081 1 1 31 LYS O O 5.423 -1.979 0.774 1.00 . A A . 31 LYS O 1 1 6 3082 1 1 32 TRP C C 8.273 -2.234 -0.040 1.00 . A A . 32 TRP C 1 1 6 3083 1 1 32 TRP CA C 7.342 -3.157 -0.819 1.00 . A A . 32 TRP CA 1 1 6 3084 1 1 32 TRP CB C 8.089 -3.795 -1.989 1.00 . A A . 32 TRP CB 1 1 6 3085 1 1 32 TRP CD1 C 6.366 -4.133 -3.856 1.00 . A A . 32 TRP CD1 1 1 6 3086 1 1 32 TRP CD2 C 7.061 -6.030 -2.892 1.00 . A A . 32 TRP CD2 1 1 6 3087 1 1 32 TRP CE2 C 6.127 -6.352 -3.895 1.00 . A A . 32 TRP CE2 1 1 6 3088 1 1 32 TRP CE3 C 7.633 -7.066 -2.148 1.00 . A A . 32 TRP CE3 1 1 6 3089 1 1 32 TRP CG C 7.207 -4.606 -2.889 1.00 . A A . 32 TRP CG 1 1 6 3090 1 1 32 TRP CH2 C 6.328 -8.658 -3.428 1.00 . A A . 32 TRP CH2 1 1 6 3091 1 1 32 TRP CZ2 C 5.754 -7.665 -4.172 1.00 . A A . 32 TRP CZ2 1 1 6 3092 1 1 32 TRP CZ3 C 7.261 -8.368 -2.422 1.00 . A A . 32 TRP CZ3 1 1 6 3093 1 1 32 TRP H H 6.035 -2.313 -2.252 1.00 . A A . 32 TRP H 1 1 6 3094 1 1 32 TRP HA H 6.990 -3.936 -0.160 1.00 . A A . 32 TRP HA 1 1 6 3095 1 1 32 TRP HB2 H 8.549 -3.019 -2.582 1.00 . A A . 32 TRP HB2 1 1 6 3096 1 1 32 TRP HB3 H 8.857 -4.445 -1.600 1.00 . A A . 32 TRP HB3 1 1 6 3097 1 1 32 TRP HD1 H 6.245 -3.088 -4.098 1.00 . A A . 32 TRP HD1 1 1 6 3098 1 1 32 TRP HE1 H 5.070 -5.093 -5.204 1.00 . A A . 32 TRP HE1 1 1 6 3099 1 1 32 TRP HE3 H 8.353 -6.862 -1.369 1.00 . A A . 32 TRP HE3 1 1 6 3100 1 1 32 TRP HH2 H 6.067 -9.690 -3.608 1.00 . A A . 32 TRP HH2 1 1 6 3101 1 1 32 TRP HZ2 H 5.036 -7.905 -4.943 1.00 . A A . 32 TRP HZ2 1 1 6 3102 1 1 32 TRP HZ3 H 7.692 -9.182 -1.857 1.00 . A A . 32 TRP HZ3 1 1 6 3103 1 1 32 TRP N N 6.183 -2.419 -1.291 1.00 . A A . 32 TRP N 1 1 6 3104 1 1 32 TRP NE1 N 5.721 -5.177 -4.470 1.00 . A A . 32 TRP NE1 1 1 6 3105 1 1 32 TRP O O 8.535 -1.107 -0.463 1.00 . A A . 32 TRP O 1 1 6 3106 1 1 33 PRO C C 10.749 -1.198 1.105 1.00 . A A . 33 PRO C 1 1 6 3107 1 1 33 PRO CA C 9.681 -1.894 1.940 1.00 . A A . 33 PRO CA 1 1 6 3108 1 1 33 PRO CB C 10.310 -2.933 2.869 1.00 . A A . 33 PRO CB 1 1 6 3109 1 1 33 PRO CD C 8.525 -4.023 1.692 1.00 . A A . 33 PRO CD 1 1 6 3110 1 1 33 PRO CG C 9.276 -3.998 2.998 1.00 . A A . 33 PRO CG 1 1 6 3111 1 1 33 PRO HA H 9.141 -1.162 2.521 1.00 . A A . 33 PRO HA 1 1 6 3112 1 1 33 PRO HB2 H 11.219 -3.314 2.426 1.00 . A A . 33 PRO HB2 1 1 6 3113 1 1 33 PRO HB3 H 10.530 -2.480 3.824 1.00 . A A . 33 PRO HB3 1 1 6 3114 1 1 33 PRO HD2 H 8.909 -4.803 1.052 1.00 . A A . 33 PRO HD2 1 1 6 3115 1 1 33 PRO HD3 H 7.469 -4.167 1.870 1.00 . A A . 33 PRO HD3 1 1 6 3116 1 1 33 PRO HG2 H 9.753 -4.951 3.171 1.00 . A A . 33 PRO HG2 1 1 6 3117 1 1 33 PRO HG3 H 8.605 -3.761 3.810 1.00 . A A . 33 PRO HG3 1 1 6 3118 1 1 33 PRO N N 8.784 -2.693 1.110 1.00 . A A . 33 PRO N 1 1 6 3119 1 1 33 PRO O O 10.907 0.024 1.166 1.00 . A A . 33 PRO O 1 1 6 3120 1 1 34 TRP C C 12.026 -1.297 -1.983 1.00 . A A . 34 TRP C 1 1 6 3121 1 1 34 TRP CA C 12.512 -1.444 -0.548 1.00 . A A . 34 TRP CA 1 1 6 3122 1 1 34 TRP CB C 13.765 -2.319 -0.476 1.00 . A A . 34 TRP CB 1 1 6 3123 1 1 34 TRP CD1 C 14.145 -4.554 0.696 1.00 . A A . 34 TRP CD1 1 1 6 3124 1 1 34 TRP CD2 C 12.560 -4.635 -0.881 1.00 . A A . 34 TRP CD2 1 1 6 3125 1 1 34 TRP CE2 C 12.690 -5.913 -0.304 1.00 . A A . 34 TRP CE2 1 1 6 3126 1 1 34 TRP CE3 C 11.618 -4.454 -1.899 1.00 . A A . 34 TRP CE3 1 1 6 3127 1 1 34 TRP CG C 13.504 -3.776 -0.221 1.00 . A A . 34 TRP CG 1 1 6 3128 1 1 34 TRP CH2 C 11.007 -6.790 -1.704 1.00 . A A . 34 TRP CH2 1 1 6 3129 1 1 34 TRP CZ2 C 11.918 -6.999 -0.707 1.00 . A A . 34 TRP CZ2 1 1 6 3130 1 1 34 TRP CZ3 C 10.853 -5.534 -2.298 1.00 . A A . 34 TRP CZ3 1 1 6 3131 1 1 34 TRP H H 11.283 -2.941 0.298 1.00 . A A . 34 TRP H 1 1 6 3132 1 1 34 TRP HA H 12.762 -0.460 -0.176 1.00 . A A . 34 TRP HA 1 1 6 3133 1 1 34 TRP HB2 H 14.303 -2.242 -1.405 1.00 . A A . 34 TRP HB2 1 1 6 3134 1 1 34 TRP HB3 H 14.388 -1.950 0.320 1.00 . A A . 34 TRP HB3 1 1 6 3135 1 1 34 TRP HD1 H 14.922 -4.197 1.354 1.00 . A A . 34 TRP HD1 1 1 6 3136 1 1 34 TRP HE1 H 13.968 -6.579 1.221 1.00 . A A . 34 TRP HE1 1 1 6 3137 1 1 34 TRP HE3 H 11.482 -3.496 -2.370 1.00 . A A . 34 TRP HE3 1 1 6 3138 1 1 34 TRP HH2 H 10.387 -7.605 -2.049 1.00 . A A . 34 TRP HH2 1 1 6 3139 1 1 34 TRP HZ2 H 12.023 -7.974 -0.258 1.00 . A A . 34 TRP HZ2 1 1 6 3140 1 1 34 TRP HZ3 H 10.121 -5.412 -3.084 1.00 . A A . 34 TRP HZ3 1 1 6 3141 1 1 34 TRP N N 11.467 -1.979 0.313 1.00 . A A . 34 TRP N 1 1 6 3142 1 1 34 TRP NE1 N 13.664 -5.836 0.652 1.00 . A A . 34 TRP NE1 1 1 6 3143 1 1 34 TRP O O 12.754 -1.572 -2.939 1.00 . A A . 34 TRP O 1 1 6 3144 1 1 35 ASN C C 10.979 0.396 -4.224 1.00 . A A . 35 ASN C 1 1 6 3145 1 1 35 ASN CA C 10.194 -0.645 -3.440 1.00 . A A . 35 ASN CA 1 1 6 3146 1 1 35 ASN CB C 8.742 -0.187 -3.313 1.00 . A A . 35 ASN CB 1 1 6 3147 1 1 35 ASN CG C 8.104 0.083 -4.664 1.00 . A A . 35 ASN CG 1 1 6 3148 1 1 35 ASN H H 10.270 -0.642 -1.320 1.00 . A A . 35 ASN H 1 1 6 3149 1 1 35 ASN HA H 10.225 -1.585 -3.972 1.00 . A A . 35 ASN HA 1 1 6 3150 1 1 35 ASN HB2 H 8.171 -0.957 -2.816 1.00 . A A . 35 ASN HB2 1 1 6 3151 1 1 35 ASN HB3 H 8.705 0.718 -2.728 1.00 . A A . 35 ASN HB3 1 1 6 3152 1 1 35 ASN HD21 H 8.180 2.045 -4.348 1.00 . A A . 35 ASN HD21 1 1 6 3153 1 1 35 ASN HD22 H 7.490 1.550 -5.856 1.00 . A A . 35 ASN HD22 1 1 6 3154 1 1 35 ASN N N 10.792 -0.849 -2.124 1.00 . A A . 35 ASN N 1 1 6 3155 1 1 35 ASN ND2 N 7.906 1.352 -4.988 1.00 . A A . 35 ASN ND2 1 1 6 3156 1 1 35 ASN O O 11.082 0.324 -5.450 1.00 . A A . 35 ASN O 1 1 6 3157 1 1 35 ASN OD1 O 7.810 -0.841 -5.419 1.00 . A A . 35 ASN OD1 1 1 6 3158 1 1 36 ALA C C 11.357 3.456 -4.769 1.00 . A A . 36 ALA C 1 1 6 3159 1 1 36 ALA CA C 12.286 2.451 -4.094 1.00 . A A . 36 ALA CA 1 1 6 3160 1 1 36 ALA CB C 13.310 1.911 -5.085 1.00 . A A . 36 ALA CB 1 1 6 3161 1 1 36 ALA H H 11.384 1.361 -2.531 1.00 . A A . 36 ALA H 1 1 6 3162 1 1 36 ALA HA H 12.819 2.952 -3.298 1.00 . A A . 36 ALA HA 1 1 6 3163 1 1 36 ALA HB1 H 13.632 0.929 -4.771 1.00 . A A . 36 ALA HB1 1 1 6 3164 1 1 36 ALA HB2 H 14.163 2.573 -5.117 1.00 . A A . 36 ALA HB2 1 1 6 3165 1 1 36 ALA HB3 H 12.866 1.849 -6.066 1.00 . A A . 36 ALA HB3 1 1 6 3166 1 1 36 ALA N N 11.516 1.367 -3.500 1.00 . A A . 36 ALA N 1 1 6 3167 1 1 36 ALA O O 11.857 4.368 -5.455 1.00 . A A . 36 ALA O 1 1 6 3168 1 1 36 ALA OXT O 10.122 3.342 -4.592 1.00 . A A . 36 ALA OXT 1 1 7 3169 1 1 1 LEU C C 5.283 7.939 -0.274 1.00 . A A . 1 LEU C 1 1 7 3170 1 1 1 LEU CA C 6.135 7.201 -1.298 1.00 . A A . 1 LEU CA 1 1 7 3171 1 1 1 LEU CB C 6.403 5.763 -0.834 1.00 . A A . 1 LEU CB 1 1 7 3172 1 1 1 LEU CD1 C 6.144 4.857 -3.166 1.00 . A A . 1 LEU CD1 1 1 7 3173 1 1 1 LEU CD2 C 8.434 5.157 -2.201 1.00 . A A . 1 LEU CD2 1 1 7 3174 1 1 1 LEU CG C 6.983 4.817 -1.897 1.00 . A A . 1 LEU CG 1 1 7 3175 1 1 1 LEU H1 H 7.363 8.520 -2.337 1.00 . A A . 1 LEU H1 1 1 7 3176 1 1 1 LEU H2 H 8.190 7.224 -1.637 1.00 . A A . 1 LEU H2 1 1 7 3177 1 1 1 LEU H3 H 7.637 8.491 -0.673 1.00 . A A . 1 LEU H3 1 1 7 3178 1 1 1 LEU HA H 5.604 7.176 -2.237 1.00 . A A . 1 LEU HA 1 1 7 3179 1 1 1 LEU HB2 H 7.092 5.799 -0.003 1.00 . A A . 1 LEU HB2 1 1 7 3180 1 1 1 LEU HB3 H 5.472 5.342 -0.485 1.00 . A A . 1 LEU HB3 1 1 7 3181 1 1 1 LEU HD11 H 5.121 5.097 -2.917 1.00 . A A . 1 LEU HD11 1 1 7 3182 1 1 1 LEU HD12 H 6.180 3.892 -3.651 1.00 . A A . 1 LEU HD12 1 1 7 3183 1 1 1 LEU HD13 H 6.537 5.609 -3.835 1.00 . A A . 1 LEU HD13 1 1 7 3184 1 1 1 LEU HD21 H 8.921 4.295 -2.632 1.00 . A A . 1 LEU HD21 1 1 7 3185 1 1 1 LEU HD22 H 8.938 5.435 -1.287 1.00 . A A . 1 LEU HD22 1 1 7 3186 1 1 1 LEU HD23 H 8.475 5.979 -2.900 1.00 . A A . 1 LEU HD23 1 1 7 3187 1 1 1 LEU HG H 6.952 3.806 -1.516 1.00 . A A . 1 LEU HG 1 1 7 3188 1 1 1 LEU N N 7.421 7.904 -1.503 1.00 . A A . 1 LEU N 1 1 7 3189 1 1 1 LEU O O 5.799 8.466 0.712 1.00 . A A . 1 LEU O 1 1 7 3190 1 1 2 PHE C C 1.621 8.197 0.119 1.00 . A A . 2 PHE C 1 1 7 3191 1 1 2 PHE CA C 3.050 8.666 0.374 1.00 . A A . 2 PHE CA 1 1 7 3192 1 1 2 PHE CB C 3.166 10.184 0.187 1.00 . A A . 2 PHE CB 1 1 7 3193 1 1 2 PHE CD1 C 2.036 10.436 -2.052 1.00 . A A . 2 PHE CD1 1 1 7 3194 1 1 2 PHE CD2 C 4.274 11.225 -1.813 1.00 . A A . 2 PHE CD2 1 1 7 3195 1 1 2 PHE CE1 C 2.033 10.841 -3.371 1.00 . A A . 2 PHE CE1 1 1 7 3196 1 1 2 PHE CE2 C 4.275 11.631 -3.133 1.00 . A A . 2 PHE CE2 1 1 7 3197 1 1 2 PHE CG C 3.157 10.622 -1.255 1.00 . A A . 2 PHE CG 1 1 7 3198 1 1 2 PHE CZ C 3.153 11.438 -3.914 1.00 . A A . 2 PHE CZ 1 1 7 3199 1 1 2 PHE H H 3.631 7.557 -1.328 1.00 . A A . 2 PHE H 1 1 7 3200 1 1 2 PHE HA H 3.321 8.416 1.390 1.00 . A A . 2 PHE HA 1 1 7 3201 1 1 2 PHE HB2 H 2.339 10.666 0.684 1.00 . A A . 2 PHE HB2 1 1 7 3202 1 1 2 PHE HB3 H 4.091 10.523 0.631 1.00 . A A . 2 PHE HB3 1 1 7 3203 1 1 2 PHE HD1 H 1.159 9.971 -1.634 1.00 . A A . 2 PHE HD1 1 1 7 3204 1 1 2 PHE HD2 H 5.153 11.374 -1.204 1.00 . A A . 2 PHE HD2 1 1 7 3205 1 1 2 PHE HE1 H 1.154 10.689 -3.980 1.00 . A A . 2 PHE HE1 1 1 7 3206 1 1 2 PHE HE2 H 5.153 12.099 -3.553 1.00 . A A . 2 PHE HE2 1 1 7 3207 1 1 2 PHE HZ H 3.152 11.755 -4.946 1.00 . A A . 2 PHE HZ 1 1 7 3208 1 1 2 PHE N N 3.979 7.984 -0.518 1.00 . A A . 2 PHE N 1 1 7 3209 1 1 2 PHE O O 0.666 8.968 0.220 1.00 . A A . 2 PHE O 1 1 7 3210 1 1 3 CYS C C -0.376 6.899 -1.786 1.00 . A A . 3 CYS C 1 1 7 3211 1 1 3 CYS CA C 0.188 6.328 -0.490 1.00 . A A . 3 CYS CA 1 1 7 3212 1 1 3 CYS CB C -0.771 6.583 0.678 1.00 . A A . 3 CYS CB 1 1 7 3213 1 1 3 CYS H H 2.282 6.362 -0.280 1.00 . A A . 3 CYS H 1 1 7 3214 1 1 3 CYS HA H 0.327 5.264 -0.608 1.00 . A A . 3 CYS HA 1 1 7 3215 1 1 3 CYS HB2 H -0.248 6.404 1.603 1.00 . A A . 3 CYS HB2 1 1 7 3216 1 1 3 CYS HB3 H -1.092 7.613 0.649 1.00 . A A . 3 CYS HB3 1 1 7 3217 1 1 3 CYS N N 1.486 6.920 -0.214 1.00 . A A . 3 CYS N 1 1 7 3218 1 1 3 CYS O O 0.332 7.596 -2.516 1.00 . A A . 3 CYS O 1 1 7 3219 1 1 3 CYS SG S -2.267 5.538 0.679 1.00 . A A . 3 CYS SG 1 1 7 3220 1 1 4 LYS C C -1.310 7.036 -4.459 1.00 . A A . 4 LYS C 1 1 7 3221 1 1 4 LYS CA C -2.290 7.071 -3.289 1.00 . A A . 4 LYS CA 1 1 7 3222 1 1 4 LYS CB C -2.843 8.485 -3.087 1.00 . A A . 4 LYS CB 1 1 7 3223 1 1 4 LYS CD C -4.364 10.316 -3.919 1.00 . A A . 4 LYS CD 1 1 7 3224 1 1 4 LYS CE C -3.326 11.416 -3.767 1.00 . A A . 4 LYS CE 1 1 7 3225 1 1 4 LYS CG C -3.720 8.973 -4.233 1.00 . A A . 4 LYS CG 1 1 7 3226 1 1 4 LYS H H -2.137 6.026 -1.453 1.00 . A A . 4 LYS H 1 1 7 3227 1 1 4 LYS HA H -3.108 6.400 -3.503 1.00 . A A . 4 LYS HA 1 1 7 3228 1 1 4 LYS HB2 H -3.432 8.502 -2.183 1.00 . A A . 4 LYS HB2 1 1 7 3229 1 1 4 LYS HB3 H -2.015 9.170 -2.977 1.00 . A A . 4 LYS HB3 1 1 7 3230 1 1 4 LYS HD2 H -5.035 10.577 -4.723 1.00 . A A . 4 LYS HD2 1 1 7 3231 1 1 4 LYS HD3 H -4.922 10.229 -2.997 1.00 . A A . 4 LYS HD3 1 1 7 3232 1 1 4 LYS HE2 H -2.640 11.142 -2.981 1.00 . A A . 4 LYS HE2 1 1 7 3233 1 1 4 LYS HE3 H -2.787 11.514 -4.697 1.00 . A A . 4 LYS HE3 1 1 7 3234 1 1 4 LYS HG2 H -3.114 9.079 -5.118 1.00 . A A . 4 LYS HG2 1 1 7 3235 1 1 4 LYS HG3 H -4.495 8.246 -4.413 1.00 . A A . 4 LYS HG3 1 1 7 3236 1 1 4 LYS HZ1 H -4.696 12.948 -4.114 1.00 . A A . 4 LYS HZ1 1 1 7 3237 1 1 4 LYS HZ2 H -3.236 13.475 -3.450 1.00 . A A . 4 LYS HZ2 1 1 7 3238 1 1 4 LYS HZ3 H -4.369 12.682 -2.482 1.00 . A A . 4 LYS HZ3 1 1 7 3239 1 1 4 LYS N N -1.634 6.594 -2.073 1.00 . A A . 4 LYS N 1 1 7 3240 1 1 4 LYS NZ N -3.950 12.720 -3.430 1.00 . A A . 4 LYS NZ 1 1 7 3241 1 1 4 LYS O O -1.149 8.015 -5.196 1.00 . A A . 4 LYS O 1 1 7 3242 1 1 5 GLY C C 0.984 4.376 -5.608 1.00 . A A . 5 GLY C 1 1 7 3243 1 1 5 GLY CA C 0.324 5.735 -5.669 1.00 . A A . 5 GLY CA 1 1 7 3244 1 1 5 GLY H H -0.814 5.164 -3.984 1.00 . A A . 5 GLY H 1 1 7 3245 1 1 5 GLY HA2 H -0.172 5.845 -6.623 1.00 . A A . 5 GLY HA2 1 1 7 3246 1 1 5 GLY HA3 H 1.084 6.496 -5.575 1.00 . A A . 5 GLY HA3 1 1 7 3247 1 1 5 GLY N N -0.646 5.902 -4.609 1.00 . A A . 5 GLY N 1 1 7 3248 1 1 5 GLY O O 2.210 4.264 -5.653 1.00 . A A . 5 GLY O 1 1 7 3249 1 1 6 GLY C C -0.408 0.974 -5.205 1.00 . A A . 6 GLY C 1 1 7 3250 1 1 6 GLY CA C 0.685 1.991 -5.429 1.00 . A A . 6 GLY CA 1 1 7 3251 1 1 6 GLY H H -0.801 3.494 -5.463 1.00 . A A . 6 GLY H 1 1 7 3252 1 1 6 GLY HA2 H 1.191 1.762 -6.354 1.00 . A A . 6 GLY HA2 1 1 7 3253 1 1 6 GLY HA3 H 1.393 1.927 -4.618 1.00 . A A . 6 GLY HA3 1 1 7 3254 1 1 6 GLY N N 0.169 3.340 -5.498 1.00 . A A . 6 GLY N 1 1 7 3255 1 1 6 GLY O O -1.587 1.265 -5.416 1.00 . A A . 6 GLY O 1 1 7 3256 1 1 7 SER C C -1.739 -1.045 -3.228 1.00 . A A . 7 SER C 1 1 7 3257 1 1 7 SER CA C -0.985 -1.275 -4.534 1.00 . A A . 7 SER CA 1 1 7 3258 1 1 7 SER CB C -0.268 -2.625 -4.513 1.00 . A A . 7 SER CB 1 1 7 3259 1 1 7 SER H H 0.929 -0.390 -4.626 1.00 . A A . 7 SER H 1 1 7 3260 1 1 7 SER HA H -1.694 -1.272 -5.346 1.00 . A A . 7 SER HA 1 1 7 3261 1 1 7 SER HB2 H 0.422 -2.652 -3.683 1.00 . A A . 7 SER HB2 1 1 7 3262 1 1 7 SER HB3 H -0.995 -3.417 -4.404 1.00 . A A . 7 SER HB3 1 1 7 3263 1 1 7 SER HG H -0.126 -3.242 -6.373 1.00 . A A . 7 SER HG 1 1 7 3264 1 1 7 SER N N -0.025 -0.217 -4.779 1.00 . A A . 7 SER N 1 1 7 3265 1 1 7 SER O O -1.226 -1.322 -2.143 1.00 . A A . 7 SER O 1 1 7 3266 1 1 7 SER OG O 0.457 -2.830 -5.718 1.00 . A A . 7 SER OG 1 1 7 3267 1 1 8 CYS C C -4.313 -1.646 -1.653 1.00 . A A . 8 CYS C 1 1 7 3268 1 1 8 CYS CA C -3.799 -0.309 -2.179 1.00 . A A . 8 CYS CA 1 1 7 3269 1 1 8 CYS CB C -4.957 0.616 -2.553 1.00 . A A . 8 CYS CB 1 1 7 3270 1 1 8 CYS H H -3.319 -0.363 -4.234 1.00 . A A . 8 CYS H 1 1 7 3271 1 1 8 CYS HA H -3.202 0.160 -1.414 1.00 . A A . 8 CYS HA 1 1 7 3272 1 1 8 CYS HB2 H -5.692 0.061 -3.111 1.00 . A A . 8 CYS HB2 1 1 7 3273 1 1 8 CYS HB3 H -5.403 0.994 -1.651 1.00 . A A . 8 CYS HB3 1 1 7 3274 1 1 8 CYS N N -2.960 -0.553 -3.341 1.00 . A A . 8 CYS N 1 1 7 3275 1 1 8 CYS O O -4.509 -2.573 -2.433 1.00 . A A . 8 CYS O 1 1 7 3276 1 1 8 CYS SG S -4.474 2.059 -3.557 1.00 . A A . 8 CYS SG 1 1 7 3277 1 1 9 HIS C C -6.293 -3.484 -0.259 1.00 . A A . 9 HIS C 1 1 7 3278 1 1 9 HIS CA C -4.940 -3.015 0.279 1.00 . A A . 9 HIS CA 1 1 7 3279 1 1 9 HIS CB C -5.005 -2.910 1.809 1.00 . A A . 9 HIS CB 1 1 7 3280 1 1 9 HIS CD2 C -2.468 -3.269 2.063 1.00 . A A . 9 HIS CD2 1 1 7 3281 1 1 9 HIS CE1 C -2.440 -3.998 4.125 1.00 . A A . 9 HIS CE1 1 1 7 3282 1 1 9 HIS CG C -3.740 -3.298 2.496 1.00 . A A . 9 HIS CG 1 1 7 3283 1 1 9 HIS H H -4.277 -0.995 0.239 1.00 . A A . 9 HIS H 1 1 7 3284 1 1 9 HIS HA H -4.208 -3.764 0.028 1.00 . A A . 9 HIS HA 1 1 7 3285 1 1 9 HIS HB2 H -5.211 -1.895 2.077 1.00 . A A . 9 HIS HB2 1 1 7 3286 1 1 9 HIS HB3 H -5.794 -3.547 2.178 1.00 . A A . 9 HIS HB3 1 1 7 3287 1 1 9 HIS HD1 H -4.466 -3.900 4.384 1.00 . A A . 9 HIS HD1 1 1 7 3288 1 1 9 HIS HD2 H -2.138 -2.935 1.092 1.00 . A A . 9 HIS HD2 1 1 7 3289 1 1 9 HIS HE1 H -2.099 -4.368 5.080 1.00 . A A . 9 HIS HE1 1 1 7 3290 1 1 9 HIS HE2 H -0.738 -3.999 2.991 1.00 . A A . 9 HIS HE2 1 1 7 3291 1 1 9 HIS N N -4.486 -1.761 -0.336 1.00 . A A . 9 HIS N 1 1 7 3292 1 1 9 HIS ND1 N -3.693 -3.758 3.794 1.00 . A A . 9 HIS ND1 1 1 7 3293 1 1 9 HIS NE2 N -1.673 -3.711 3.091 1.00 . A A . 9 HIS NE2 1 1 7 3294 1 1 9 HIS O O -7.297 -3.485 0.458 1.00 . A A . 9 HIS O 1 1 7 3295 1 1 10 PHE C C -7.627 -5.927 -1.755 1.00 . A A . 10 PHE C 1 1 7 3296 1 1 10 PHE CA C -7.518 -4.453 -2.104 1.00 . A A . 10 PHE CA 1 1 7 3297 1 1 10 PHE CB C -7.517 -4.258 -3.624 1.00 . A A . 10 PHE CB 1 1 7 3298 1 1 10 PHE CD1 C -7.513 -1.747 -3.696 1.00 . A A . 10 PHE CD1 1 1 7 3299 1 1 10 PHE CD2 C -9.246 -2.912 -4.843 1.00 . A A . 10 PHE CD2 1 1 7 3300 1 1 10 PHE CE1 C -8.055 -0.541 -4.097 1.00 . A A . 10 PHE CE1 1 1 7 3301 1 1 10 PHE CE2 C -9.793 -1.712 -5.246 1.00 . A A . 10 PHE CE2 1 1 7 3302 1 1 10 PHE CG C -8.100 -2.945 -4.065 1.00 . A A . 10 PHE CG 1 1 7 3303 1 1 10 PHE CZ C -9.197 -0.524 -4.873 1.00 . A A . 10 PHE CZ 1 1 7 3304 1 1 10 PHE H H -5.476 -3.945 -2.015 1.00 . A A . 10 PHE H 1 1 7 3305 1 1 10 PHE HA H -8.359 -3.929 -1.678 1.00 . A A . 10 PHE HA 1 1 7 3306 1 1 10 PHE HB2 H -6.501 -4.305 -3.984 1.00 . A A . 10 PHE HB2 1 1 7 3307 1 1 10 PHE HB3 H -8.093 -5.048 -4.084 1.00 . A A . 10 PHE HB3 1 1 7 3308 1 1 10 PHE HD1 H -6.620 -1.760 -3.090 1.00 . A A . 10 PHE HD1 1 1 7 3309 1 1 10 PHE HD2 H -9.713 -3.841 -5.137 1.00 . A A . 10 PHE HD2 1 1 7 3310 1 1 10 PHE HE1 H -7.589 0.387 -3.802 1.00 . A A . 10 PHE HE1 1 1 7 3311 1 1 10 PHE HE2 H -10.685 -1.701 -5.853 1.00 . A A . 10 PHE HE2 1 1 7 3312 1 1 10 PHE HZ H -9.622 0.416 -5.187 1.00 . A A . 10 PHE HZ 1 1 7 3313 1 1 10 PHE N N -6.309 -3.929 -1.502 1.00 . A A . 10 PHE N 1 1 7 3314 1 1 10 PHE O O -8.048 -6.751 -2.570 1.00 . A A . 10 PHE O 1 1 7 3315 1 1 11 GLY C C -6.427 -8.533 -0.969 1.00 . A A . 11 GLY C 1 1 7 3316 1 1 11 GLY CA C -7.257 -7.628 -0.083 1.00 . A A . 11 GLY CA 1 1 7 3317 1 1 11 GLY H H -6.879 -5.548 0.065 1.00 . A A . 11 GLY H 1 1 7 3318 1 1 11 GLY HA2 H -6.875 -7.677 0.927 1.00 . A A . 11 GLY HA2 1 1 7 3319 1 1 11 GLY HA3 H -8.280 -7.974 -0.088 1.00 . A A . 11 GLY HA3 1 1 7 3320 1 1 11 GLY N N -7.222 -6.253 -0.534 1.00 . A A . 11 GLY N 1 1 7 3321 1 1 11 GLY O O -6.849 -9.644 -1.302 1.00 . A A . 11 GLY O 1 1 7 3322 1 1 12 GLY C C -3.055 -8.160 -2.495 1.00 . A A . 12 GLY C 1 1 7 3323 1 1 12 GLY CA C -4.379 -8.845 -2.213 1.00 . A A . 12 GLY CA 1 1 7 3324 1 1 12 GLY H H -4.967 -7.163 -1.066 1.00 . A A . 12 GLY H 1 1 7 3325 1 1 12 GLY HA2 H -4.185 -9.793 -1.735 1.00 . A A . 12 GLY HA2 1 1 7 3326 1 1 12 GLY HA3 H -4.884 -9.026 -3.152 1.00 . A A . 12 GLY HA3 1 1 7 3327 1 1 12 GLY N N -5.248 -8.059 -1.359 1.00 . A A . 12 GLY N 1 1 7 3328 1 1 12 GLY O O -2.646 -8.034 -3.653 1.00 . A A . 12 GLY O 1 1 7 3329 1 1 13 CYS C C 0.012 -8.064 -1.883 1.00 . A A . 13 CYS C 1 1 7 3330 1 1 13 CYS CA C -1.092 -7.049 -1.584 1.00 . A A . 13 CYS CA 1 1 7 3331 1 1 13 CYS CB C -0.755 -6.240 -0.326 1.00 . A A . 13 CYS CB 1 1 7 3332 1 1 13 CYS H H -2.755 -7.848 -0.545 1.00 . A A . 13 CYS H 1 1 7 3333 1 1 13 CYS HA H -1.170 -6.371 -2.421 1.00 . A A . 13 CYS HA 1 1 7 3334 1 1 13 CYS HB2 H -1.164 -6.741 0.538 1.00 . A A . 13 CYS HB2 1 1 7 3335 1 1 13 CYS HB3 H 0.318 -6.172 -0.223 1.00 . A A . 13 CYS HB3 1 1 7 3336 1 1 13 CYS N N -2.382 -7.717 -1.442 1.00 . A A . 13 CYS N 1 1 7 3337 1 1 13 CYS O O 0.021 -9.167 -1.332 1.00 . A A . 13 CYS O 1 1 7 3338 1 1 13 CYS SG S -1.419 -4.544 -0.333 1.00 . A A . 13 CYS SG 1 1 7 3339 1 1 14 PRO C C 2.637 -9.385 -2.013 1.00 . A A . 14 PRO C 1 1 7 3340 1 1 14 PRO CA C 2.061 -8.576 -3.172 1.00 . A A . 14 PRO CA 1 1 7 3341 1 1 14 PRO CB C 3.097 -7.586 -3.694 1.00 . A A . 14 PRO CB 1 1 7 3342 1 1 14 PRO CD C 0.995 -6.415 -3.488 1.00 . A A . 14 PRO CD 1 1 7 3343 1 1 14 PRO CG C 2.298 -6.455 -4.252 1.00 . A A . 14 PRO CG 1 1 7 3344 1 1 14 PRO HA H 1.770 -9.246 -3.967 1.00 . A A . 14 PRO HA 1 1 7 3345 1 1 14 PRO HB2 H 3.729 -7.260 -2.881 1.00 . A A . 14 PRO HB2 1 1 7 3346 1 1 14 PRO HB3 H 3.697 -8.056 -4.457 1.00 . A A . 14 PRO HB3 1 1 7 3347 1 1 14 PRO HD2 H 0.994 -5.591 -2.791 1.00 . A A . 14 PRO HD2 1 1 7 3348 1 1 14 PRO HD3 H 0.164 -6.328 -4.172 1.00 . A A . 14 PRO HD3 1 1 7 3349 1 1 14 PRO HG2 H 2.835 -5.529 -4.117 1.00 . A A . 14 PRO HG2 1 1 7 3350 1 1 14 PRO HG3 H 2.110 -6.626 -5.300 1.00 . A A . 14 PRO HG3 1 1 7 3351 1 1 14 PRO N N 0.952 -7.705 -2.774 1.00 . A A . 14 PRO N 1 1 7 3352 1 1 14 PRO O O 2.941 -10.570 -2.160 1.00 . A A . 14 PRO O 1 1 7 3353 1 1 15 SER C C 3.162 -8.546 1.550 1.00 . A A . 15 SER C 1 1 7 3354 1 1 15 SER CA C 3.331 -9.417 0.308 1.00 . A A . 15 SER CA 1 1 7 3355 1 1 15 SER CB C 4.814 -9.743 0.080 1.00 . A A . 15 SER CB 1 1 7 3356 1 1 15 SER H H 2.531 -7.805 -0.797 1.00 . A A . 15 SER H 1 1 7 3357 1 1 15 SER HA H 2.786 -10.337 0.448 1.00 . A A . 15 SER HA 1 1 7 3358 1 1 15 SER HB2 H 4.928 -10.251 -0.864 1.00 . A A . 15 SER HB2 1 1 7 3359 1 1 15 SER HB3 H 5.380 -8.823 0.059 1.00 . A A . 15 SER HB3 1 1 7 3360 1 1 15 SER HG H 4.909 -11.442 1.058 1.00 . A A . 15 SER HG 1 1 7 3361 1 1 15 SER N N 2.789 -8.746 -0.861 1.00 . A A . 15 SER N 1 1 7 3362 1 1 15 SER O O 2.250 -7.718 1.613 1.00 . A A . 15 SER O 1 1 7 3363 1 1 15 SER OG O 5.329 -10.572 1.110 1.00 . A A . 15 SER OG 1 1 7 3364 1 1 16 HIS C C 4.475 -6.541 3.565 1.00 . A A . 16 HIS C 1 1 7 3365 1 1 16 HIS CA C 4.005 -7.977 3.774 1.00 . A A . 16 HIS CA 1 1 7 3366 1 1 16 HIS CB C 4.868 -8.663 4.837 1.00 . A A . 16 HIS CB 1 1 7 3367 1 1 16 HIS CD2 C 7.106 -9.756 4.114 1.00 . A A . 16 HIS CD2 1 1 7 3368 1 1 16 HIS CE1 C 8.371 -7.970 4.168 1.00 . A A . 16 HIS CE1 1 1 7 3369 1 1 16 HIS CG C 6.326 -8.719 4.497 1.00 . A A . 16 HIS CG 1 1 7 3370 1 1 16 HIS H H 4.745 -9.412 2.402 1.00 . A A . 16 HIS H 1 1 7 3371 1 1 16 HIS HA H 2.982 -7.958 4.117 1.00 . A A . 16 HIS HA 1 1 7 3372 1 1 16 HIS HB2 H 4.769 -8.129 5.770 1.00 . A A . 16 HIS HB2 1 1 7 3373 1 1 16 HIS HB3 H 4.518 -9.675 4.972 1.00 . A A . 16 HIS HB3 1 1 7 3374 1 1 16 HIS HD1 H 6.885 -6.704 4.778 1.00 . A A . 16 HIS HD1 1 1 7 3375 1 1 16 HIS HD2 H 6.790 -10.781 3.983 1.00 . A A . 16 HIS HD2 1 1 7 3376 1 1 16 HIS HE1 H 9.225 -7.313 4.101 1.00 . A A . 16 HIS HE1 1 1 7 3377 1 1 16 HIS HE2 H 9.121 -9.762 3.524 1.00 . A A . 16 HIS HE2 1 1 7 3378 1 1 16 HIS N N 4.044 -8.735 2.525 1.00 . A A . 16 HIS N 1 1 7 3379 1 1 16 HIS ND1 N 7.151 -7.615 4.523 1.00 . A A . 16 HIS ND1 1 1 7 3380 1 1 16 HIS NE2 N 8.370 -9.263 3.916 1.00 . A A . 16 HIS NE2 1 1 7 3381 1 1 16 HIS O O 5.224 -5.994 4.376 1.00 . A A . 16 HIS O 1 1 7 3382 1 1 17 LEU C C 3.907 -3.629 3.271 1.00 . A A . 17 LEU C 1 1 7 3383 1 1 17 LEU CA C 4.388 -4.563 2.166 1.00 . A A . 17 LEU CA 1 1 7 3384 1 1 17 LEU CB C 3.782 -4.159 0.823 1.00 . A A . 17 LEU CB 1 1 7 3385 1 1 17 LEU CD1 C 3.530 -4.548 -1.647 1.00 . A A . 17 LEU CD1 1 1 7 3386 1 1 17 LEU CD2 C 5.644 -5.223 -0.497 1.00 . A A . 17 LEU CD2 1 1 7 3387 1 1 17 LEU CG C 4.135 -5.077 -0.355 1.00 . A A . 17 LEU CG 1 1 7 3388 1 1 17 LEU H H 3.424 -6.414 1.881 1.00 . A A . 17 LEU H 1 1 7 3389 1 1 17 LEU HA H 5.464 -4.507 2.103 1.00 . A A . 17 LEU HA 1 1 7 3390 1 1 17 LEU HB2 H 2.708 -4.144 0.930 1.00 . A A . 17 LEU HB2 1 1 7 3391 1 1 17 LEU HB3 H 4.116 -3.162 0.585 1.00 . A A . 17 LEU HB3 1 1 7 3392 1 1 17 LEU HD11 H 2.479 -4.791 -1.676 1.00 . A A . 17 LEU HD11 1 1 7 3393 1 1 17 LEU HD12 H 4.029 -5.003 -2.489 1.00 . A A . 17 LEU HD12 1 1 7 3394 1 1 17 LEU HD13 H 3.654 -3.476 -1.691 1.00 . A A . 17 LEU HD13 1 1 7 3395 1 1 17 LEU HD21 H 6.063 -5.567 0.437 1.00 . A A . 17 LEU HD21 1 1 7 3396 1 1 17 LEU HD22 H 6.074 -4.267 -0.754 1.00 . A A . 17 LEU HD22 1 1 7 3397 1 1 17 LEU HD23 H 5.864 -5.937 -1.275 1.00 . A A . 17 LEU HD23 1 1 7 3398 1 1 17 LEU HG H 3.720 -6.058 -0.173 1.00 . A A . 17 LEU HG 1 1 7 3399 1 1 17 LEU N N 4.024 -5.933 2.482 1.00 . A A . 17 LEU N 1 1 7 3400 1 1 17 LEU O O 2.784 -3.768 3.766 1.00 . A A . 17 LEU O 1 1 7 3401 1 1 18 ILE C C 3.284 -0.822 4.270 1.00 . A A . 18 ILE C 1 1 7 3402 1 1 18 ILE CA C 4.420 -1.737 4.705 1.00 . A A . 18 ILE CA 1 1 7 3403 1 1 18 ILE CB C 5.639 -0.880 5.118 1.00 . A A . 18 ILE CB 1 1 7 3404 1 1 18 ILE CD1 C 7.357 0.797 4.251 1.00 . A A . 18 ILE CD1 1 1 7 3405 1 1 18 ILE CG1 C 6.241 -0.166 3.902 1.00 . A A . 18 ILE CG1 1 1 7 3406 1 1 18 ILE CG2 C 6.688 -1.746 5.805 1.00 . A A . 18 ILE CG2 1 1 7 3407 1 1 18 ILE H H 5.632 -2.628 3.219 1.00 . A A . 18 ILE H 1 1 7 3408 1 1 18 ILE HA H 4.098 -2.302 5.569 1.00 . A A . 18 ILE HA 1 1 7 3409 1 1 18 ILE HB H 5.304 -0.141 5.828 1.00 . A A . 18 ILE HB 1 1 7 3410 1 1 18 ILE HD11 H 7.914 0.414 5.093 1.00 . A A . 18 ILE HD11 1 1 7 3411 1 1 18 ILE HD12 H 6.938 1.758 4.505 1.00 . A A . 18 ILE HD12 1 1 7 3412 1 1 18 ILE HD13 H 8.017 0.905 3.402 1.00 . A A . 18 ILE HD13 1 1 7 3413 1 1 18 ILE HG12 H 6.644 -0.901 3.225 1.00 . A A . 18 ILE HG12 1 1 7 3414 1 1 18 ILE HG13 H 5.466 0.394 3.399 1.00 . A A . 18 ILE HG13 1 1 7 3415 1 1 18 ILE HG21 H 7.256 -1.142 6.497 1.00 . A A . 18 ILE HG21 1 1 7 3416 1 1 18 ILE HG22 H 7.352 -2.163 5.063 1.00 . A A . 18 ILE HG22 1 1 7 3417 1 1 18 ILE HG23 H 6.200 -2.546 6.343 1.00 . A A . 18 ILE HG23 1 1 7 3418 1 1 18 ILE N N 4.756 -2.687 3.655 1.00 . A A . 18 ILE N 1 1 7 3419 1 1 18 ILE O O 3.240 -0.370 3.122 1.00 . A A . 18 ILE O 1 1 7 3420 1 1 19 LYS C C 1.700 1.778 4.880 1.00 . A A . 19 LYS C 1 1 7 3421 1 1 19 LYS CA C 1.246 0.327 4.901 1.00 . A A . 19 LYS CA 1 1 7 3422 1 1 19 LYS CB C 0.114 0.142 5.916 1.00 . A A . 19 LYS CB 1 1 7 3423 1 1 19 LYS CD C -2.055 1.045 6.855 1.00 . A A . 19 LYS CD 1 1 7 3424 1 1 19 LYS CE C -1.630 1.120 8.316 1.00 . A A . 19 LYS CE 1 1 7 3425 1 1 19 LYS CG C -0.892 1.285 5.906 1.00 . A A . 19 LYS CG 1 1 7 3426 1 1 19 LYS H H 2.462 -0.925 6.090 1.00 . A A . 19 LYS H 1 1 7 3427 1 1 19 LYS HA H 0.878 0.067 3.920 1.00 . A A . 19 LYS HA 1 1 7 3428 1 1 19 LYS HB2 H -0.418 -0.774 5.684 1.00 . A A . 19 LYS HB2 1 1 7 3429 1 1 19 LYS HB3 H 0.538 0.066 6.904 1.00 . A A . 19 LYS HB3 1 1 7 3430 1 1 19 LYS HD2 H -2.809 1.795 6.673 1.00 . A A . 19 LYS HD2 1 1 7 3431 1 1 19 LYS HD3 H -2.464 0.067 6.658 1.00 . A A . 19 LYS HD3 1 1 7 3432 1 1 19 LYS HE2 H -1.062 2.023 8.465 1.00 . A A . 19 LYS HE2 1 1 7 3433 1 1 19 LYS HE3 H -2.514 1.148 8.934 1.00 . A A . 19 LYS HE3 1 1 7 3434 1 1 19 LYS HG2 H -0.392 2.194 6.201 1.00 . A A . 19 LYS HG2 1 1 7 3435 1 1 19 LYS HG3 H -1.274 1.398 4.904 1.00 . A A . 19 LYS HG3 1 1 7 3436 1 1 19 LYS HZ1 H -1.185 -0.477 9.580 1.00 . A A . 19 LYS HZ1 1 1 7 3437 1 1 19 LYS HZ2 H 0.177 0.270 8.918 1.00 . A A . 19 LYS HZ2 1 1 7 3438 1 1 19 LYS HZ3 H -0.776 -0.749 7.967 1.00 . A A . 19 LYS HZ3 1 1 7 3439 1 1 19 LYS N N 2.370 -0.544 5.191 1.00 . A A . 19 LYS N 1 1 7 3440 1 1 19 LYS NZ N -0.796 -0.040 8.722 1.00 . A A . 19 LYS NZ 1 1 7 3441 1 1 19 LYS O O 1.775 2.439 5.917 1.00 . A A . 19 LYS O 1 1 7 3442 1 1 20 VAL C C 1.321 4.602 3.876 1.00 . A A . 20 VAL C 1 1 7 3443 1 1 20 VAL CA C 2.447 3.639 3.520 1.00 . A A . 20 VAL CA 1 1 7 3444 1 1 20 VAL CB C 2.896 3.886 2.069 1.00 . A A . 20 VAL CB 1 1 7 3445 1 1 20 VAL CG1 C 3.491 5.273 1.908 1.00 . A A . 20 VAL CG1 1 1 7 3446 1 1 20 VAL CG2 C 3.889 2.822 1.637 1.00 . A A . 20 VAL CG2 1 1 7 3447 1 1 20 VAL H H 1.924 1.682 2.906 1.00 . A A . 20 VAL H 1 1 7 3448 1 1 20 VAL HA H 3.288 3.811 4.178 1.00 . A A . 20 VAL HA 1 1 7 3449 1 1 20 VAL HB H 2.029 3.816 1.429 1.00 . A A . 20 VAL HB 1 1 7 3450 1 1 20 VAL HG11 H 4.270 5.417 2.642 1.00 . A A . 20 VAL HG11 1 1 7 3451 1 1 20 VAL HG12 H 2.720 6.015 2.048 1.00 . A A . 20 VAL HG12 1 1 7 3452 1 1 20 VAL HG13 H 3.909 5.368 0.917 1.00 . A A . 20 VAL HG13 1 1 7 3453 1 1 20 VAL HG21 H 4.588 3.247 0.934 1.00 . A A . 20 VAL HG21 1 1 7 3454 1 1 20 VAL HG22 H 3.358 2.005 1.170 1.00 . A A . 20 VAL HG22 1 1 7 3455 1 1 20 VAL HG23 H 4.425 2.456 2.501 1.00 . A A . 20 VAL HG23 1 1 7 3456 1 1 20 VAL N N 2.002 2.266 3.694 1.00 . A A . 20 VAL N 1 1 7 3457 1 1 20 VAL O O 1.551 5.713 4.355 1.00 . A A . 20 VAL O 1 1 7 3458 1 1 21 GLY C C -2.315 4.156 3.539 1.00 . A A . 21 GLY C 1 1 7 3459 1 1 21 GLY CA C -1.078 4.935 3.914 1.00 . A A . 21 GLY CA 1 1 7 3460 1 1 21 GLY H H 0.000 3.248 3.262 1.00 . A A . 21 GLY H 1 1 7 3461 1 1 21 GLY HA2 H -1.108 5.173 4.968 1.00 . A A . 21 GLY HA2 1 1 7 3462 1 1 21 GLY HA3 H -1.046 5.847 3.342 1.00 . A A . 21 GLY HA3 1 1 7 3463 1 1 21 GLY N N 0.104 4.149 3.635 1.00 . A A . 21 GLY N 1 1 7 3464 1 1 21 GLY O O -2.373 2.955 3.789 1.00 . A A . 21 GLY O 1 1 7 3465 1 1 22 SER C C -5.239 4.876 1.406 1.00 . A A . 22 SER C 1 1 7 3466 1 1 22 SER CA C -4.500 4.111 2.497 1.00 . A A . 22 SER CA 1 1 7 3467 1 1 22 SER CB C -5.434 3.885 3.687 1.00 . A A . 22 SER CB 1 1 7 3468 1 1 22 SER H H -3.184 5.758 2.711 1.00 . A A . 22 SER H 1 1 7 3469 1 1 22 SER HA H -4.208 3.154 2.099 1.00 . A A . 22 SER HA 1 1 7 3470 1 1 22 SER HB2 H -5.747 4.839 4.075 1.00 . A A . 22 SER HB2 1 1 7 3471 1 1 22 SER HB3 H -6.301 3.330 3.358 1.00 . A A . 22 SER HB3 1 1 7 3472 1 1 22 SER HG H -3.892 3.483 4.837 1.00 . A A . 22 SER HG 1 1 7 3473 1 1 22 SER N N -3.287 4.801 2.914 1.00 . A A . 22 SER N 1 1 7 3474 1 1 22 SER O O -5.301 6.107 1.417 1.00 . A A . 22 SER O 1 1 7 3475 1 1 22 SER OG O -4.793 3.154 4.723 1.00 . A A . 22 SER OG 1 1 7 3476 1 1 23 CYS C C -8.053 4.620 -0.261 1.00 . A A . 23 CYS C 1 1 7 3477 1 1 23 CYS CA C -6.572 4.673 -0.627 1.00 . A A . 23 CYS CA 1 1 7 3478 1 1 23 CYS CB C -6.299 3.873 -1.910 1.00 . A A . 23 CYS CB 1 1 7 3479 1 1 23 CYS H H -5.717 3.152 0.552 1.00 . A A . 23 CYS H 1 1 7 3480 1 1 23 CYS HA H -6.275 5.701 -0.770 1.00 . A A . 23 CYS HA 1 1 7 3481 1 1 23 CYS HB2 H -6.778 2.903 -1.838 1.00 . A A . 23 CYS HB2 1 1 7 3482 1 1 23 CYS HB3 H -6.710 4.408 -2.751 1.00 . A A . 23 CYS HB3 1 1 7 3483 1 1 23 CYS N N -5.804 4.120 0.478 1.00 . A A . 23 CYS N 1 1 7 3484 1 1 23 CYS O O -8.392 4.427 0.911 1.00 . A A . 23 CYS O 1 1 7 3485 1 1 23 CYS SG S -4.521 3.601 -2.237 1.00 . A A . 23 CYS SG 1 1 7 3486 1 1 24 PHE C C -10.759 3.312 -0.491 1.00 . A A . 24 PHE C 1 1 7 3487 1 1 24 PHE CA C -10.362 4.700 -0.958 1.00 . A A . 24 PHE CA 1 1 7 3488 1 1 24 PHE CB C -11.191 5.087 -2.181 1.00 . A A . 24 PHE CB 1 1 7 3489 1 1 24 PHE CD1 C -10.413 7.334 -2.984 1.00 . A A . 24 PHE CD1 1 1 7 3490 1 1 24 PHE CD2 C -12.492 7.186 -1.826 1.00 . A A . 24 PHE CD2 1 1 7 3491 1 1 24 PHE CE1 C -10.584 8.697 -3.124 1.00 . A A . 24 PHE CE1 1 1 7 3492 1 1 24 PHE CE2 C -12.668 8.548 -1.961 1.00 . A A . 24 PHE CE2 1 1 7 3493 1 1 24 PHE CG C -11.364 6.566 -2.334 1.00 . A A . 24 PHE CG 1 1 7 3494 1 1 24 PHE CZ C -11.713 9.305 -2.610 1.00 . A A . 24 PHE CZ 1 1 7 3495 1 1 24 PHE H H -8.628 4.892 -2.161 1.00 . A A . 24 PHE H 1 1 7 3496 1 1 24 PHE HA H -10.567 5.401 -0.163 1.00 . A A . 24 PHE HA 1 1 7 3497 1 1 24 PHE HB2 H -10.709 4.715 -3.071 1.00 . A A . 24 PHE HB2 1 1 7 3498 1 1 24 PHE HB3 H -12.172 4.643 -2.097 1.00 . A A . 24 PHE HB3 1 1 7 3499 1 1 24 PHE HD1 H -9.531 6.858 -3.385 1.00 . A A . 24 PHE HD1 1 1 7 3500 1 1 24 PHE HD2 H -13.237 6.590 -1.311 1.00 . A A . 24 PHE HD2 1 1 7 3501 1 1 24 PHE HE1 H -9.835 9.288 -3.631 1.00 . A A . 24 PHE HE1 1 1 7 3502 1 1 24 PHE HE2 H -13.552 9.021 -1.561 1.00 . A A . 24 PHE HE2 1 1 7 3503 1 1 24 PHE HZ H -11.848 10.371 -2.717 1.00 . A A . 24 PHE HZ 1 1 7 3504 1 1 24 PHE N N -8.936 4.760 -1.238 1.00 . A A . 24 PHE N 1 1 7 3505 1 1 24 PHE O O -10.372 2.311 -1.089 1.00 . A A . 24 PHE O 1 1 7 3506 1 1 25 GLY C C -10.987 1.329 2.009 1.00 . A A . 25 GLY C 1 1 7 3507 1 1 25 GLY CA C -12.007 2.005 1.106 1.00 . A A . 25 GLY CA 1 1 7 3508 1 1 25 GLY H H -11.825 4.105 0.995 1.00 . A A . 25 GLY H 1 1 7 3509 1 1 25 GLY HA2 H -12.908 2.188 1.669 1.00 . A A . 25 GLY HA2 1 1 7 3510 1 1 25 GLY HA3 H -12.239 1.343 0.285 1.00 . A A . 25 GLY HA3 1 1 7 3511 1 1 25 GLY N N -11.545 3.266 0.571 1.00 . A A . 25 GLY N 1 1 7 3512 1 1 25 GLY O O -10.769 0.117 1.917 1.00 . A A . 25 GLY O 1 1 7 3513 1 1 26 PHE C C -8.311 0.770 3.125 1.00 . A A . 26 PHE C 1 1 7 3514 1 1 26 PHE CA C -9.387 1.587 3.839 1.00 . A A . 26 PHE CA 1 1 7 3515 1 1 26 PHE CB C -10.093 0.721 4.890 1.00 . A A . 26 PHE CB 1 1 7 3516 1 1 26 PHE CD1 C -8.481 1.020 6.789 1.00 . A A . 26 PHE CD1 1 1 7 3517 1 1 26 PHE CD2 C -9.016 -1.198 6.100 1.00 . A A . 26 PHE CD2 1 1 7 3518 1 1 26 PHE CE1 C -7.642 0.517 7.762 1.00 . A A . 26 PHE CE1 1 1 7 3519 1 1 26 PHE CE2 C -8.178 -1.707 7.072 1.00 . A A . 26 PHE CE2 1 1 7 3520 1 1 26 PHE CG C -9.176 0.171 5.946 1.00 . A A . 26 PHE CG 1 1 7 3521 1 1 26 PHE CZ C -7.490 -0.848 7.905 1.00 . A A . 26 PHE CZ 1 1 7 3522 1 1 26 PHE H H -10.603 3.063 2.924 1.00 . A A . 26 PHE H 1 1 7 3523 1 1 26 PHE HA H -8.920 2.426 4.330 1.00 . A A . 26 PHE HA 1 1 7 3524 1 1 26 PHE HB2 H -10.847 1.315 5.385 1.00 . A A . 26 PHE HB2 1 1 7 3525 1 1 26 PHE HB3 H -10.570 -0.112 4.395 1.00 . A A . 26 PHE HB3 1 1 7 3526 1 1 26 PHE HD1 H -8.599 2.087 6.680 1.00 . A A . 26 PHE HD1 1 1 7 3527 1 1 26 PHE HD2 H -9.552 -1.870 5.448 1.00 . A A . 26 PHE HD2 1 1 7 3528 1 1 26 PHE HE1 H -7.109 1.190 8.411 1.00 . A A . 26 PHE HE1 1 1 7 3529 1 1 26 PHE HE2 H -8.062 -2.775 7.182 1.00 . A A . 26 PHE HE2 1 1 7 3530 1 1 26 PHE HZ H -6.835 -1.243 8.666 1.00 . A A . 26 PHE HZ 1 1 7 3531 1 1 26 PHE N N -10.374 2.108 2.892 1.00 . A A . 26 PHE N 1 1 7 3532 1 1 26 PHE O O -7.651 -0.079 3.724 1.00 . A A . 26 PHE O 1 1 7 3533 1 1 27 ARG C C -5.737 0.743 1.404 1.00 . A A . 27 ARG C 1 1 7 3534 1 1 27 ARG CA C -7.149 0.311 1.050 1.00 . A A . 27 ARG CA 1 1 7 3535 1 1 27 ARG CB C -7.402 0.532 -0.433 1.00 . A A . 27 ARG CB 1 1 7 3536 1 1 27 ARG CD C -8.924 -1.389 -0.755 1.00 . A A . 27 ARG CD 1 1 7 3537 1 1 27 ARG CG C -8.762 0.099 -0.877 1.00 . A A . 27 ARG CG 1 1 7 3538 1 1 27 ARG CZ C -10.768 -2.982 -1.038 1.00 . A A . 27 ARG CZ 1 1 7 3539 1 1 27 ARG H H -8.691 1.715 1.415 1.00 . A A . 27 ARG H 1 1 7 3540 1 1 27 ARG HA H -7.252 -0.741 1.268 1.00 . A A . 27 ARG HA 1 1 7 3541 1 1 27 ARG HB2 H -7.301 1.575 -0.658 1.00 . A A . 27 ARG HB2 1 1 7 3542 1 1 27 ARG HB3 H -6.677 -0.028 -0.996 1.00 . A A . 27 ARG HB3 1 1 7 3543 1 1 27 ARG HD2 H -8.168 -1.873 -1.355 1.00 . A A . 27 ARG HD2 1 1 7 3544 1 1 27 ARG HD3 H -8.806 -1.674 0.278 1.00 . A A . 27 ARG HD3 1 1 7 3545 1 1 27 ARG HE H -10.734 -1.094 -1.719 1.00 . A A . 27 ARG HE 1 1 7 3546 1 1 27 ARG HG2 H -9.501 0.579 -0.255 1.00 . A A . 27 ARG HG2 1 1 7 3547 1 1 27 ARG HG3 H -8.907 0.388 -1.907 1.00 . A A . 27 ARG HG3 1 1 7 3548 1 1 27 ARG HH11 H -9.225 -3.690 0.076 1.00 . A A . 27 ARG HH11 1 1 7 3549 1 1 27 ARG HH12 H -10.527 -4.805 -0.187 1.00 . A A . 27 ARG HH12 1 1 7 3550 1 1 27 ARG HH21 H -12.460 -2.561 -2.065 1.00 . A A . 27 ARG HH21 1 1 7 3551 1 1 27 ARG HH22 H -12.370 -4.162 -1.407 1.00 . A A . 27 ARG HH22 1 1 7 3552 1 1 27 ARG N N -8.138 1.028 1.843 1.00 . A A . 27 ARG N 1 1 7 3553 1 1 27 ARG NE N -10.231 -1.780 -1.222 1.00 . A A . 27 ARG NE 1 1 7 3554 1 1 27 ARG NH1 N -10.120 -3.900 -0.327 1.00 . A A . 27 ARG NH1 1 1 7 3555 1 1 27 ARG NH2 N -11.960 -3.257 -1.545 1.00 . A A . 27 ARG NH2 1 1 7 3556 1 1 27 ARG O O -5.103 1.489 0.660 1.00 . A A . 27 ARG O 1 1 7 3557 1 1 28 SER C C -2.897 0.473 1.825 1.00 . A A . 28 SER C 1 1 7 3558 1 1 28 SER CA C -3.904 0.612 2.976 1.00 . A A . 28 SER CA 1 1 7 3559 1 1 28 SER CB C -3.509 -0.284 4.148 1.00 . A A . 28 SER CB 1 1 7 3560 1 1 28 SER H H -5.798 -0.328 3.087 1.00 . A A . 28 SER H 1 1 7 3561 1 1 28 SER HA H -3.919 1.633 3.307 1.00 . A A . 28 SER HA 1 1 7 3562 1 1 28 SER HB2 H -3.492 -1.312 3.824 1.00 . A A . 28 SER HB2 1 1 7 3563 1 1 28 SER HB3 H -2.531 -0.003 4.502 1.00 . A A . 28 SER HB3 1 1 7 3564 1 1 28 SER HG H -4.790 0.743 5.226 1.00 . A A . 28 SER HG 1 1 7 3565 1 1 28 SER N N -5.246 0.271 2.534 1.00 . A A . 28 SER N 1 1 7 3566 1 1 28 SER O O -2.770 -0.599 1.235 1.00 . A A . 28 SER O 1 1 7 3567 1 1 28 SER OG O -4.436 -0.157 5.214 1.00 . A A . 28 SER OG 1 1 7 3568 1 1 29 CYS C C -0.038 0.640 0.771 1.00 . A A . 29 CYS C 1 1 7 3569 1 1 29 CYS CA C -1.208 1.556 0.429 1.00 . A A . 29 CYS CA 1 1 7 3570 1 1 29 CYS CB C -0.691 2.975 0.167 1.00 . A A . 29 CYS CB 1 1 7 3571 1 1 29 CYS H H -2.348 2.385 2.013 1.00 . A A . 29 CYS H 1 1 7 3572 1 1 29 CYS HA H -1.692 1.188 -0.462 1.00 . A A . 29 CYS HA 1 1 7 3573 1 1 29 CYS HB2 H -0.433 3.435 1.109 1.00 . A A . 29 CYS HB2 1 1 7 3574 1 1 29 CYS HB3 H 0.194 2.918 -0.451 1.00 . A A . 29 CYS HB3 1 1 7 3575 1 1 29 CYS N N -2.196 1.560 1.509 1.00 . A A . 29 CYS N 1 1 7 3576 1 1 29 CYS O O 0.555 0.764 1.843 1.00 . A A . 29 CYS O 1 1 7 3577 1 1 29 CYS SG S -1.881 4.072 -0.673 1.00 . A A . 29 CYS SG 1 1 7 3578 1 1 30 CYS C C 2.640 -0.829 -0.684 1.00 . A A . 30 CYS C 1 1 7 3579 1 1 30 CYS CA C 1.371 -1.220 0.068 1.00 . A A . 30 CYS CA 1 1 7 3580 1 1 30 CYS CB C 0.947 -2.624 -0.373 1.00 . A A . 30 CYS CB 1 1 7 3581 1 1 30 CYS H H -0.237 -0.324 -0.970 1.00 . A A . 30 CYS H 1 1 7 3582 1 1 30 CYS HA H 1.589 -1.245 1.125 1.00 . A A . 30 CYS HA 1 1 7 3583 1 1 30 CYS HB2 H 0.397 -2.551 -1.298 1.00 . A A . 30 CYS HB2 1 1 7 3584 1 1 30 CYS HB3 H 1.829 -3.220 -0.537 1.00 . A A . 30 CYS HB3 1 1 7 3585 1 1 30 CYS N N 0.281 -0.275 -0.138 1.00 . A A . 30 CYS N 1 1 7 3586 1 1 30 CYS O O 2.601 -0.499 -1.870 1.00 . A A . 30 CYS O 1 1 7 3587 1 1 30 CYS SG S -0.104 -3.507 0.821 1.00 . A A . 30 CYS SG 1 1 7 3588 1 1 31 LYS C C 6.091 -1.517 0.192 1.00 . A A . 31 LYS C 1 1 7 3589 1 1 31 LYS CA C 5.079 -0.640 -0.535 1.00 . A A . 31 LYS CA 1 1 7 3590 1 1 31 LYS CB C 5.449 0.839 -0.398 1.00 . A A . 31 LYS CB 1 1 7 3591 1 1 31 LYS CD C 4.720 1.535 -2.714 1.00 . A A . 31 LYS CD 1 1 7 3592 1 1 31 LYS CE C 3.777 2.419 -3.517 1.00 . A A . 31 LYS CE 1 1 7 3593 1 1 31 LYS CG C 4.566 1.774 -1.217 1.00 . A A . 31 LYS CG 1 1 7 3594 1 1 31 LYS H H 3.707 -1.211 0.955 1.00 . A A . 31 LYS H 1 1 7 3595 1 1 31 LYS HA H 5.067 -0.916 -1.580 1.00 . A A . 31 LYS HA 1 1 7 3596 1 1 31 LYS HB2 H 5.373 1.120 0.639 1.00 . A A . 31 LYS HB2 1 1 7 3597 1 1 31 LYS HB3 H 6.471 0.972 -0.721 1.00 . A A . 31 LYS HB3 1 1 7 3598 1 1 31 LYS HD2 H 5.737 1.756 -3.002 1.00 . A A . 31 LYS HD2 1 1 7 3599 1 1 31 LYS HD3 H 4.499 0.500 -2.930 1.00 . A A . 31 LYS HD3 1 1 7 3600 1 1 31 LYS HE2 H 2.761 2.174 -3.248 1.00 . A A . 31 LYS HE2 1 1 7 3601 1 1 31 LYS HE3 H 3.972 3.450 -3.268 1.00 . A A . 31 LYS HE3 1 1 7 3602 1 1 31 LYS HG2 H 3.535 1.614 -0.941 1.00 . A A . 31 LYS HG2 1 1 7 3603 1 1 31 LYS HG3 H 4.843 2.795 -0.997 1.00 . A A . 31 LYS HG3 1 1 7 3604 1 1 31 LYS HZ1 H 3.161 2.673 -5.498 1.00 . A A . 31 LYS HZ1 1 1 7 3605 1 1 31 LYS HZ2 H 3.974 1.220 -5.216 1.00 . A A . 31 LYS HZ2 1 1 7 3606 1 1 31 LYS HZ3 H 4.837 2.668 -5.299 1.00 . A A . 31 LYS HZ3 1 1 7 3607 1 1 31 LYS N N 3.762 -0.919 0.019 1.00 . A A . 31 LYS N 1 1 7 3608 1 1 31 LYS NZ N 3.947 2.232 -4.982 1.00 . A A . 31 LYS NZ 1 1 7 3609 1 1 31 LYS O O 5.902 -1.838 1.367 1.00 . A A . 31 LYS O 1 1 7 3610 1 1 32 TRP C C 8.875 -2.066 1.227 1.00 . A A . 32 TRP C 1 1 7 3611 1 1 32 TRP CA C 8.138 -2.799 0.108 1.00 . A A . 32 TRP CA 1 1 7 3612 1 1 32 TRP CB C 9.131 -3.305 -0.938 1.00 . A A . 32 TRP CB 1 1 7 3613 1 1 32 TRP CD1 C 7.835 -3.353 -3.151 1.00 . A A . 32 TRP CD1 1 1 7 3614 1 1 32 TRP CD2 C 8.369 -5.374 -2.351 1.00 . A A . 32 TRP CD2 1 1 7 3615 1 1 32 TRP CE2 C 7.670 -5.541 -3.560 1.00 . A A . 32 TRP CE2 1 1 7 3616 1 1 32 TRP CE3 C 8.805 -6.508 -1.663 1.00 . A A . 32 TRP CE3 1 1 7 3617 1 1 32 TRP CG C 8.473 -3.966 -2.111 1.00 . A A . 32 TRP CG 1 1 7 3618 1 1 32 TRP CH2 C 7.834 -7.890 -3.397 1.00 . A A . 32 TRP CH2 1 1 7 3619 1 1 32 TRP CZ2 C 7.397 -6.797 -4.094 1.00 . A A . 32 TRP CZ2 1 1 7 3620 1 1 32 TRP CZ3 C 8.532 -7.754 -2.192 1.00 . A A . 32 TRP CZ3 1 1 7 3621 1 1 32 TRP H H 7.233 -1.668 -1.439 1.00 . A A . 32 TRP H 1 1 7 3622 1 1 32 TRP HA H 7.620 -3.643 0.531 1.00 . A A . 32 TRP HA 1 1 7 3623 1 1 32 TRP HB2 H 9.712 -2.476 -1.304 1.00 . A A . 32 TRP HB2 1 1 7 3624 1 1 32 TRP HB3 H 9.789 -4.024 -0.476 1.00 . A A . 32 TRP HB3 1 1 7 3625 1 1 32 TRP HD1 H 7.737 -2.283 -3.259 1.00 . A A . 32 TRP HD1 1 1 7 3626 1 1 32 TRP HE1 H 6.874 -4.103 -4.866 1.00 . A A . 32 TRP HE1 1 1 7 3627 1 1 32 TRP HE3 H 9.345 -6.422 -0.732 1.00 . A A . 32 TRP HE3 1 1 7 3628 1 1 32 TRP HH2 H 7.643 -8.885 -3.773 1.00 . A A . 32 TRP HH2 1 1 7 3629 1 1 32 TRP HZ2 H 6.860 -6.919 -5.023 1.00 . A A . 32 TRP HZ2 1 1 7 3630 1 1 32 TRP HZ3 H 8.861 -8.641 -1.672 1.00 . A A . 32 TRP HZ3 1 1 7 3631 1 1 32 TRP N N 7.137 -1.934 -0.500 1.00 . A A . 32 TRP N 1 1 7 3632 1 1 32 TRP NE1 N 7.358 -4.294 -4.031 1.00 . A A . 32 TRP NE1 1 1 7 3633 1 1 32 TRP O O 9.168 -0.875 1.105 1.00 . A A . 32 TRP O 1 1 7 3634 1 1 33 PRO C C 11.355 -1.847 3.142 1.00 . A A . 33 PRO C 1 1 7 3635 1 1 33 PRO CA C 9.900 -2.174 3.474 1.00 . A A . 33 PRO CA 1 1 7 3636 1 1 33 PRO CB C 9.833 -3.261 4.562 1.00 . A A . 33 PRO CB 1 1 7 3637 1 1 33 PRO CD C 8.891 -4.185 2.564 1.00 . A A . 33 PRO CD 1 1 7 3638 1 1 33 PRO CG C 8.864 -4.279 4.061 1.00 . A A . 33 PRO CG 1 1 7 3639 1 1 33 PRO HA H 9.405 -1.281 3.825 1.00 . A A . 33 PRO HA 1 1 7 3640 1 1 33 PRO HB2 H 10.814 -3.692 4.704 1.00 . A A . 33 PRO HB2 1 1 7 3641 1 1 33 PRO HB3 H 9.496 -2.821 5.489 1.00 . A A . 33 PRO HB3 1 1 7 3642 1 1 33 PRO HD2 H 9.669 -4.816 2.160 1.00 . A A . 33 PRO HD2 1 1 7 3643 1 1 33 PRO HD3 H 7.931 -4.453 2.155 1.00 . A A . 33 PRO HD3 1 1 7 3644 1 1 33 PRO HG2 H 9.171 -5.264 4.379 1.00 . A A . 33 PRO HG2 1 1 7 3645 1 1 33 PRO HG3 H 7.874 -4.058 4.431 1.00 . A A . 33 PRO HG3 1 1 7 3646 1 1 33 PRO N N 9.191 -2.765 2.334 1.00 . A A . 33 PRO N 1 1 7 3647 1 1 33 PRO O O 12.238 -1.941 3.997 1.00 . A A . 33 PRO O 1 1 7 3648 1 1 34 TRP C C 12.830 -0.275 0.174 1.00 . A A . 34 TRP C 1 1 7 3649 1 1 34 TRP CA C 12.926 -1.108 1.442 1.00 . A A . 34 TRP CA 1 1 7 3650 1 1 34 TRP CB C 13.747 -2.377 1.190 1.00 . A A . 34 TRP CB 1 1 7 3651 1 1 34 TRP CD1 C 12.346 -3.052 -0.860 1.00 . A A . 34 TRP CD1 1 1 7 3652 1 1 34 TRP CD2 C 13.145 -4.771 0.326 1.00 . A A . 34 TRP CD2 1 1 7 3653 1 1 34 TRP CE2 C 12.401 -5.281 -0.753 1.00 . A A . 34 TRP CE2 1 1 7 3654 1 1 34 TRP CE3 C 13.746 -5.665 1.212 1.00 . A A . 34 TRP CE3 1 1 7 3655 1 1 34 TRP CG C 13.095 -3.345 0.246 1.00 . A A . 34 TRP CG 1 1 7 3656 1 1 34 TRP CH2 C 12.845 -7.501 -0.087 1.00 . A A . 34 TRP CH2 1 1 7 3657 1 1 34 TRP CZ2 C 12.245 -6.646 -0.971 1.00 . A A . 34 TRP CZ2 1 1 7 3658 1 1 34 TRP CZ3 C 13.591 -7.021 0.997 1.00 . A A . 34 TRP CZ3 1 1 7 3659 1 1 34 TRP H H 10.847 -1.399 1.273 1.00 . A A . 34 TRP H 1 1 7 3660 1 1 34 TRP HA H 13.403 -0.522 2.211 1.00 . A A . 34 TRP HA 1 1 7 3661 1 1 34 TRP HB2 H 14.705 -2.106 0.777 1.00 . A A . 34 TRP HB2 1 1 7 3662 1 1 34 TRP HB3 H 13.898 -2.882 2.130 1.00 . A A . 34 TRP HB3 1 1 7 3663 1 1 34 TRP HD1 H 12.123 -2.052 -1.197 1.00 . A A . 34 TRP HD1 1 1 7 3664 1 1 34 TRP HE1 H 11.369 -4.265 -2.275 1.00 . A A . 34 TRP HE1 1 1 7 3665 1 1 34 TRP HE3 H 14.326 -5.310 2.052 1.00 . A A . 34 TRP HE3 1 1 7 3666 1 1 34 TRP HH2 H 12.748 -8.568 -0.215 1.00 . A A . 34 TRP HH2 1 1 7 3667 1 1 34 TRP HZ2 H 11.673 -7.032 -1.802 1.00 . A A . 34 TRP HZ2 1 1 7 3668 1 1 34 TRP HZ3 H 14.048 -7.728 1.672 1.00 . A A . 34 TRP HZ3 1 1 7 3669 1 1 34 TRP N N 11.592 -1.457 1.901 1.00 . A A . 34 TRP N 1 1 7 3670 1 1 34 TRP NE1 N 11.925 -4.211 -1.463 1.00 . A A . 34 TRP NE1 1 1 7 3671 1 1 34 TRP O O 13.751 -0.237 -0.640 1.00 . A A . 34 TRP O 1 1 7 3672 1 1 35 ASN C C 12.142 2.606 -0.941 1.00 . A A . 35 ASN C 1 1 7 3673 1 1 35 ASN CA C 11.469 1.254 -1.136 1.00 . A A . 35 ASN CA 1 1 7 3674 1 1 35 ASN CB C 9.963 1.420 -1.384 1.00 . A A . 35 ASN CB 1 1 7 3675 1 1 35 ASN CG C 9.326 0.199 -2.040 1.00 . A A . 35 ASN CG 1 1 7 3676 1 1 35 ASN H H 11.013 0.338 0.717 1.00 . A A . 35 ASN H 1 1 7 3677 1 1 35 ASN HA H 11.915 0.774 -1.994 1.00 . A A . 35 ASN HA 1 1 7 3678 1 1 35 ASN HB2 H 9.468 1.594 -0.442 1.00 . A A . 35 ASN HB2 1 1 7 3679 1 1 35 ASN HB3 H 9.804 2.272 -2.029 1.00 . A A . 35 ASN HB3 1 1 7 3680 1 1 35 ASN HD21 H 11.110 -0.574 -2.470 1.00 . A A . 35 ASN HD21 1 1 7 3681 1 1 35 ASN HD22 H 9.746 -1.504 -2.974 1.00 . A A . 35 ASN HD22 1 1 7 3682 1 1 35 ASN N N 11.704 0.402 0.022 1.00 . A A . 35 ASN N 1 1 7 3683 1 1 35 ASN ND2 N 10.143 -0.718 -2.541 1.00 . A A . 35 ASN ND2 1 1 7 3684 1 1 35 ASN O O 11.528 3.660 -1.124 1.00 . A A . 35 ASN O 1 1 7 3685 1 1 35 ASN OD1 O 8.102 0.091 -2.119 1.00 . A A . 35 ASN OD1 1 1 7 3686 1 1 36 ALA C C 15.678 3.414 -0.310 1.00 . A A . 36 ALA C 1 1 7 3687 1 1 36 ALA CA C 14.198 3.766 -0.345 1.00 . A A . 36 ALA CA 1 1 7 3688 1 1 36 ALA CB C 13.779 4.444 0.953 1.00 . A A . 36 ALA CB 1 1 7 3689 1 1 36 ALA H H 13.844 1.690 -0.447 1.00 . A A . 36 ALA H 1 1 7 3690 1 1 36 ALA HA H 14.015 4.447 -1.163 1.00 . A A . 36 ALA HA 1 1 7 3691 1 1 36 ALA HB1 H 14.491 4.209 1.730 1.00 . A A . 36 ALA HB1 1 1 7 3692 1 1 36 ALA HB2 H 12.800 4.093 1.245 1.00 . A A . 36 ALA HB2 1 1 7 3693 1 1 36 ALA HB3 H 13.747 5.514 0.806 1.00 . A A . 36 ALA HB3 1 1 7 3694 1 1 36 ALA N N 13.413 2.563 -0.571 1.00 . A A . 36 ALA N 1 1 7 3695 1 1 36 ALA O O 16.515 4.310 -0.549 1.00 . A A . 36 ALA O 1 1 7 3696 1 1 36 ALA OXT O 15.998 2.234 -0.051 1.00 . A A . 36 ALA OXT 1 1 8 3697 1 1 1 LEU C C 0.181 2.818 -7.525 1.00 . A A . 1 LEU C 1 1 8 3698 1 1 1 LEU CA C 1.383 1.985 -7.101 1.00 . A A . 1 LEU CA 1 1 8 3699 1 1 1 LEU CB C 1.897 2.463 -5.733 1.00 . A A . 1 LEU CB 1 1 8 3700 1 1 1 LEU CD1 C 2.936 0.225 -5.236 1.00 . A A . 1 LEU CD1 1 1 8 3701 1 1 1 LEU CD2 C 4.383 2.136 -5.964 1.00 . A A . 1 LEU CD2 1 1 8 3702 1 1 1 LEU CG C 3.135 1.736 -5.189 1.00 . A A . 1 LEU CG 1 1 8 3703 1 1 1 LEU H1 H 3.114 1.302 -8.037 1.00 . A A . 1 LEU H1 1 1 8 3704 1 1 1 LEU H2 H 3.004 2.983 -7.940 1.00 . A A . 1 LEU H2 1 1 8 3705 1 1 1 LEU H3 H 2.062 2.139 -9.057 1.00 . A A . 1 LEU H3 1 1 8 3706 1 1 1 LEU HA H 1.091 0.948 -7.034 1.00 . A A . 1 LEU HA 1 1 8 3707 1 1 1 LEU HB2 H 2.133 3.514 -5.811 1.00 . A A . 1 LEU HB2 1 1 8 3708 1 1 1 LEU HB3 H 1.099 2.347 -5.016 1.00 . A A . 1 LEU HB3 1 1 8 3709 1 1 1 LEU HD11 H 3.852 -0.268 -4.945 1.00 . A A . 1 LEU HD11 1 1 8 3710 1 1 1 LEU HD12 H 2.673 -0.074 -6.239 1.00 . A A . 1 LEU HD12 1 1 8 3711 1 1 1 LEU HD13 H 2.147 -0.056 -4.557 1.00 . A A . 1 LEU HD13 1 1 8 3712 1 1 1 LEU HD21 H 4.601 1.387 -6.709 1.00 . A A . 1 LEU HD21 1 1 8 3713 1 1 1 LEU HD22 H 5.217 2.218 -5.282 1.00 . A A . 1 LEU HD22 1 1 8 3714 1 1 1 LEU HD23 H 4.220 3.089 -6.447 1.00 . A A . 1 LEU HD23 1 1 8 3715 1 1 1 LEU HG H 3.284 2.020 -4.151 1.00 . A A . 1 LEU HG 1 1 8 3716 1 1 1 LEU N N 2.467 2.111 -8.100 1.00 . A A . 1 LEU N 1 1 8 3717 1 1 1 LEU O O 0.318 4.002 -7.825 1.00 . A A . 1 LEU O 1 1 8 3718 1 1 2 PHE C C -2.467 4.070 -7.016 1.00 . A A . 2 PHE C 1 1 8 3719 1 1 2 PHE CA C -2.205 2.904 -7.955 1.00 . A A . 2 PHE CA 1 1 8 3720 1 1 2 PHE CB C -3.408 1.960 -7.968 1.00 . A A . 2 PHE CB 1 1 8 3721 1 1 2 PHE CD1 C -2.379 -0.249 -8.595 1.00 . A A . 2 PHE CD1 1 1 8 3722 1 1 2 PHE CD2 C -4.008 0.703 -10.052 1.00 . A A . 2 PHE CD2 1 1 8 3723 1 1 2 PHE CE1 C -2.253 -1.332 -9.444 1.00 . A A . 2 PHE CE1 1 1 8 3724 1 1 2 PHE CE2 C -3.886 -0.379 -10.901 1.00 . A A . 2 PHE CE2 1 1 8 3725 1 1 2 PHE CG C -3.257 0.783 -8.892 1.00 . A A . 2 PHE CG 1 1 8 3726 1 1 2 PHE CZ C -3.007 -1.396 -10.597 1.00 . A A . 2 PHE CZ 1 1 8 3727 1 1 2 PHE H H -1.043 1.251 -7.313 1.00 . A A . 2 PHE H 1 1 8 3728 1 1 2 PHE HA H -2.050 3.289 -8.942 1.00 . A A . 2 PHE HA 1 1 8 3729 1 1 2 PHE HB2 H -3.567 1.579 -6.971 1.00 . A A . 2 PHE HB2 1 1 8 3730 1 1 2 PHE HB3 H -4.283 2.513 -8.278 1.00 . A A . 2 PHE HB3 1 1 8 3731 1 1 2 PHE HD1 H -1.791 -0.203 -7.693 1.00 . A A . 2 PHE HD1 1 1 8 3732 1 1 2 PHE HD2 H -4.693 1.502 -10.294 1.00 . A A . 2 PHE HD2 1 1 8 3733 1 1 2 PHE HE1 H -1.565 -2.127 -9.205 1.00 . A A . 2 PHE HE1 1 1 8 3734 1 1 2 PHE HE2 H -4.478 -0.428 -11.802 1.00 . A A . 2 PHE HE2 1 1 8 3735 1 1 2 PHE HZ H -2.912 -2.242 -11.260 1.00 . A A . 2 PHE HZ 1 1 8 3736 1 1 2 PHE N N -0.994 2.199 -7.556 1.00 . A A . 2 PHE N 1 1 8 3737 1 1 2 PHE O O -2.598 5.219 -7.441 1.00 . A A . 2 PHE O 1 1 8 3738 1 1 3 CYS C C -1.490 5.628 -4.561 1.00 . A A . 3 CYS C 1 1 8 3739 1 1 3 CYS CA C -2.732 4.767 -4.712 1.00 . A A . 3 CYS CA 1 1 8 3740 1 1 3 CYS CB C -3.083 4.114 -3.370 1.00 . A A . 3 CYS CB 1 1 8 3741 1 1 3 CYS H H -2.382 2.835 -5.479 1.00 . A A . 3 CYS H 1 1 8 3742 1 1 3 CYS HA H -3.555 5.392 -5.027 1.00 . A A . 3 CYS HA 1 1 8 3743 1 1 3 CYS HB2 H -4.154 3.996 -3.307 1.00 . A A . 3 CYS HB2 1 1 8 3744 1 1 3 CYS HB3 H -2.618 3.146 -3.317 1.00 . A A . 3 CYS HB3 1 1 8 3745 1 1 3 CYS N N -2.515 3.761 -5.739 1.00 . A A . 3 CYS N 1 1 8 3746 1 1 3 CYS O O -0.369 5.142 -4.714 1.00 . A A . 3 CYS O 1 1 8 3747 1 1 3 CYS SG S -2.548 5.081 -1.910 1.00 . A A . 3 CYS SG 1 1 8 3748 1 1 4 LYS C C 0.244 7.447 -2.882 1.00 . A A . 4 LYS C 1 1 8 3749 1 1 4 LYS CA C -0.613 7.848 -4.082 1.00 . A A . 4 LYS CA 1 1 8 3750 1 1 4 LYS CB C -1.168 9.263 -3.895 1.00 . A A . 4 LYS CB 1 1 8 3751 1 1 4 LYS CD C -0.684 11.693 -3.470 1.00 . A A . 4 LYS CD 1 1 8 3752 1 1 4 LYS CE C 0.397 12.698 -3.112 1.00 . A A . 4 LYS CE 1 1 8 3753 1 1 4 LYS CG C -0.090 10.322 -3.739 1.00 . A A . 4 LYS CG 1 1 8 3754 1 1 4 LYS H H -2.624 7.209 -4.160 1.00 . A A . 4 LYS H 1 1 8 3755 1 1 4 LYS HA H -0.002 7.824 -4.971 1.00 . A A . 4 LYS HA 1 1 8 3756 1 1 4 LYS HB2 H -1.771 9.517 -4.754 1.00 . A A . 4 LYS HB2 1 1 8 3757 1 1 4 LYS HB3 H -1.790 9.280 -3.012 1.00 . A A . 4 LYS HB3 1 1 8 3758 1 1 4 LYS HD2 H -1.196 12.032 -4.356 1.00 . A A . 4 LYS HD2 1 1 8 3759 1 1 4 LYS HD3 H -1.383 11.620 -2.651 1.00 . A A . 4 LYS HD3 1 1 8 3760 1 1 4 LYS HE2 H 1.097 12.762 -3.930 1.00 . A A . 4 LYS HE2 1 1 8 3761 1 1 4 LYS HE3 H -0.063 13.662 -2.957 1.00 . A A . 4 LYS HE3 1 1 8 3762 1 1 4 LYS HG2 H 0.553 10.053 -2.917 1.00 . A A . 4 LYS HG2 1 1 8 3763 1 1 4 LYS HG3 H 0.487 10.368 -4.649 1.00 . A A . 4 LYS HG3 1 1 8 3764 1 1 4 LYS HZ1 H 1.661 13.117 -1.510 1.00 . A A . 4 LYS HZ1 1 1 8 3765 1 1 4 LYS HZ2 H 1.792 11.537 -2.088 1.00 . A A . 4 LYS HZ2 1 1 8 3766 1 1 4 LYS HZ3 H 0.461 11.984 -1.153 1.00 . A A . 4 LYS HZ3 1 1 8 3767 1 1 4 LYS N N -1.701 6.899 -4.264 1.00 . A A . 4 LYS N 1 1 8 3768 1 1 4 LYS NZ N 1.128 12.308 -1.881 1.00 . A A . 4 LYS NZ 1 1 8 3769 1 1 4 LYS O O 0.201 8.083 -1.825 1.00 . A A . 4 LYS O 1 1 8 3770 1 1 5 GLY C C 2.081 4.396 -2.111 1.00 . A A . 5 GLY C 1 1 8 3771 1 1 5 GLY CA C 1.855 5.885 -1.989 1.00 . A A . 5 GLY CA 1 1 8 3772 1 1 5 GLY H H 0.986 5.909 -3.910 1.00 . A A . 5 GLY H 1 1 8 3773 1 1 5 GLY HA2 H 2.806 6.393 -2.034 1.00 . A A . 5 GLY HA2 1 1 8 3774 1 1 5 GLY HA3 H 1.389 6.091 -1.036 1.00 . A A . 5 GLY HA3 1 1 8 3775 1 1 5 GLY N N 1.005 6.378 -3.049 1.00 . A A . 5 GLY N 1 1 8 3776 1 1 5 GLY O O 3.217 3.932 -2.145 1.00 . A A . 5 GLY O 1 1 8 3777 1 1 6 GLY C C -0.279 1.599 -2.661 1.00 . A A . 6 GLY C 1 1 8 3778 1 1 6 GLY CA C 1.063 2.206 -2.310 1.00 . A A . 6 GLY CA 1 1 8 3779 1 1 6 GLY H H 0.114 4.086 -2.160 1.00 . A A . 6 GLY H 1 1 8 3780 1 1 6 GLY HA2 H 1.775 1.953 -3.076 1.00 . A A . 6 GLY HA2 1 1 8 3781 1 1 6 GLY HA3 H 1.397 1.792 -1.370 1.00 . A A . 6 GLY HA3 1 1 8 3782 1 1 6 GLY N N 0.988 3.649 -2.188 1.00 . A A . 6 GLY N 1 1 8 3783 1 1 6 GLY O O -1.307 2.045 -2.171 1.00 . A A . 6 GLY O 1 1 8 3784 1 1 7 SER C C -2.336 -0.466 -2.686 1.00 . A A . 7 SER C 1 1 8 3785 1 1 7 SER CA C -1.508 -0.069 -3.911 1.00 . A A . 7 SER CA 1 1 8 3786 1 1 7 SER CB C -1.173 -1.287 -4.767 1.00 . A A . 7 SER CB 1 1 8 3787 1 1 7 SER H H 0.576 0.261 -3.863 1.00 . A A . 7 SER H 1 1 8 3788 1 1 7 SER HA H -2.076 0.631 -4.503 1.00 . A A . 7 SER HA 1 1 8 3789 1 1 7 SER HB2 H -0.684 -2.031 -4.158 1.00 . A A . 7 SER HB2 1 1 8 3790 1 1 7 SER HB3 H -2.081 -1.697 -5.184 1.00 . A A . 7 SER HB3 1 1 8 3791 1 1 7 SER HG H 0.000 -1.713 -6.280 1.00 . A A . 7 SER HG 1 1 8 3792 1 1 7 SER N N -0.276 0.586 -3.506 1.00 . A A . 7 SER N 1 1 8 3793 1 1 7 SER O O -1.795 -0.949 -1.689 1.00 . A A . 7 SER O 1 1 8 3794 1 1 7 SER OG O -0.305 -0.918 -5.830 1.00 . A A . 7 SER OG 1 1 8 3795 1 1 8 CYS C C -4.382 -1.999 -1.208 1.00 . A A . 8 CYS C 1 1 8 3796 1 1 8 CYS CA C -4.538 -0.544 -1.652 1.00 . A A . 8 CYS CA 1 1 8 3797 1 1 8 CYS CB C -5.993 -0.288 -2.058 1.00 . A A . 8 CYS CB 1 1 8 3798 1 1 8 CYS H H -4.008 0.166 -3.572 1.00 . A A . 8 CYS H 1 1 8 3799 1 1 8 CYS HA H -4.289 0.102 -0.826 1.00 . A A . 8 CYS HA 1 1 8 3800 1 1 8 CYS HB2 H -6.413 -1.191 -2.467 1.00 . A A . 8 CYS HB2 1 1 8 3801 1 1 8 CYS HB3 H -6.549 -0.007 -1.179 1.00 . A A . 8 CYS HB3 1 1 8 3802 1 1 8 CYS N N -3.639 -0.235 -2.757 1.00 . A A . 8 CYS N 1 1 8 3803 1 1 8 CYS O O -4.187 -2.892 -2.035 1.00 . A A . 8 CYS O 1 1 8 3804 1 1 8 CYS SG S -6.221 1.038 -3.291 1.00 . A A . 8 CYS SG 1 1 8 3805 1 1 9 HIS C C -5.503 -4.444 0.138 1.00 . A A . 9 HIS C 1 1 8 3806 1 1 9 HIS CA C -4.358 -3.573 0.649 1.00 . A A . 9 HIS CA 1 1 8 3807 1 1 9 HIS CB C -4.384 -3.551 2.187 1.00 . A A . 9 HIS CB 1 1 8 3808 1 1 9 HIS CD2 C -1.920 -2.766 2.366 1.00 . A A . 9 HIS CD2 1 1 8 3809 1 1 9 HIS CE1 C -1.650 -3.056 4.518 1.00 . A A . 9 HIS CE1 1 1 8 3810 1 1 9 HIS CG C -3.081 -3.243 2.855 1.00 . A A . 9 HIS CG 1 1 8 3811 1 1 9 HIS H H -4.627 -1.477 0.701 1.00 . A A . 9 HIS H 1 1 8 3812 1 1 9 HIS HA H -3.423 -3.993 0.317 1.00 . A A . 9 HIS HA 1 1 8 3813 1 1 9 HIS HB2 H -5.072 -2.801 2.501 1.00 . A A . 9 HIS HB2 1 1 8 3814 1 1 9 HIS HB3 H -4.721 -4.512 2.546 1.00 . A A . 9 HIS HB3 1 1 8 3815 1 1 9 HIS HD1 H -3.542 -3.755 4.849 1.00 . A A . 9 HIS HD1 1 1 8 3816 1 1 9 HIS HD2 H -1.726 -2.498 1.339 1.00 . A A . 9 HIS HD2 1 1 8 3817 1 1 9 HIS HE1 H -1.215 -3.084 5.506 1.00 . A A . 9 HIS HE1 1 1 8 3818 1 1 9 HIS HE2 H -0.069 -2.558 3.332 1.00 . A A . 9 HIS HE2 1 1 8 3819 1 1 9 HIS N N -4.472 -2.229 0.096 1.00 . A A . 9 HIS N 1 1 8 3820 1 1 9 HIS ND1 N -2.879 -3.412 4.207 1.00 . A A . 9 HIS ND1 1 1 8 3821 1 1 9 HIS NE2 N -1.040 -2.660 3.420 1.00 . A A . 9 HIS NE2 1 1 8 3822 1 1 9 HIS O O -6.500 -4.629 0.834 1.00 . A A . 9 HIS O 1 1 8 3823 1 1 10 PHE C C -6.587 -7.087 -0.896 1.00 . A A . 10 PHE C 1 1 8 3824 1 1 10 PHE CA C -6.385 -5.803 -1.703 1.00 . A A . 10 PHE CA 1 1 8 3825 1 1 10 PHE CB C -5.969 -6.170 -3.133 1.00 . A A . 10 PHE CB 1 1 8 3826 1 1 10 PHE CD1 C -6.259 -3.729 -3.722 1.00 . A A . 10 PHE CD1 1 1 8 3827 1 1 10 PHE CD2 C -5.494 -5.236 -5.403 1.00 . A A . 10 PHE CD2 1 1 8 3828 1 1 10 PHE CE1 C -6.193 -2.686 -4.629 1.00 . A A . 10 PHE CE1 1 1 8 3829 1 1 10 PHE CE2 C -5.427 -4.198 -6.309 1.00 . A A . 10 PHE CE2 1 1 8 3830 1 1 10 PHE CG C -5.910 -5.018 -4.101 1.00 . A A . 10 PHE CG 1 1 8 3831 1 1 10 PHE CZ C -5.777 -2.922 -5.923 1.00 . A A . 10 PHE CZ 1 1 8 3832 1 1 10 PHE H H -4.548 -4.750 -1.587 1.00 . A A . 10 PHE H 1 1 8 3833 1 1 10 PHE HA H -7.311 -5.251 -1.730 1.00 . A A . 10 PHE HA 1 1 8 3834 1 1 10 PHE HB2 H -4.989 -6.621 -3.106 1.00 . A A . 10 PHE HB2 1 1 8 3835 1 1 10 PHE HB3 H -6.673 -6.890 -3.522 1.00 . A A . 10 PHE HB3 1 1 8 3836 1 1 10 PHE HD1 H -6.586 -3.540 -2.711 1.00 . A A . 10 PHE HD1 1 1 8 3837 1 1 10 PHE HD2 H -5.218 -6.234 -5.710 1.00 . A A . 10 PHE HD2 1 1 8 3838 1 1 10 PHE HE1 H -6.469 -1.688 -4.326 1.00 . A A . 10 PHE HE1 1 1 8 3839 1 1 10 PHE HE2 H -5.099 -4.386 -7.319 1.00 . A A . 10 PHE HE2 1 1 8 3840 1 1 10 PHE HZ H -5.726 -2.110 -6.632 1.00 . A A . 10 PHE HZ 1 1 8 3841 1 1 10 PHE N N -5.363 -4.955 -1.081 1.00 . A A . 10 PHE N 1 1 8 3842 1 1 10 PHE O O -6.218 -8.176 -1.348 1.00 . A A . 10 PHE O 1 1 8 3843 1 1 11 GLY C C -6.043 -8.561 1.781 1.00 . A A . 11 GLY C 1 1 8 3844 1 1 11 GLY CA C -7.351 -8.105 1.165 1.00 . A A . 11 GLY CA 1 1 8 3845 1 1 11 GLY H H -7.398 -6.067 0.615 1.00 . A A . 11 GLY H 1 1 8 3846 1 1 11 GLY HA2 H -8.040 -7.837 1.952 1.00 . A A . 11 GLY HA2 1 1 8 3847 1 1 11 GLY HA3 H -7.769 -8.913 0.586 1.00 . A A . 11 GLY HA3 1 1 8 3848 1 1 11 GLY N N -7.142 -6.956 0.303 1.00 . A A . 11 GLY N 1 1 8 3849 1 1 11 GLY O O -5.963 -8.839 2.980 1.00 . A A . 11 GLY O 1 1 8 3850 1 1 12 GLY C C -2.683 -8.659 0.309 1.00 . A A . 12 GLY C 1 1 8 3851 1 1 12 GLY CA C -3.699 -9.000 1.375 1.00 . A A . 12 GLY CA 1 1 8 3852 1 1 12 GLY H H -5.156 -8.355 0.018 1.00 . A A . 12 GLY H 1 1 8 3853 1 1 12 GLY HA2 H -3.449 -8.482 2.290 1.00 . A A . 12 GLY HA2 1 1 8 3854 1 1 12 GLY HA3 H -3.682 -10.065 1.551 1.00 . A A . 12 GLY HA3 1 1 8 3855 1 1 12 GLY N N -5.018 -8.607 0.949 1.00 . A A . 12 GLY N 1 1 8 3856 1 1 12 GLY O O -2.574 -9.359 -0.699 1.00 . A A . 12 GLY O 1 1 8 3857 1 1 13 CYS C C -0.079 -8.289 -0.887 1.00 . A A . 13 CYS C 1 1 8 3858 1 1 13 CYS CA C -0.956 -7.122 -0.434 1.00 . A A . 13 CYS CA 1 1 8 3859 1 1 13 CYS CB C -0.103 -6.013 0.187 1.00 . A A . 13 CYS CB 1 1 8 3860 1 1 13 CYS H H -2.105 -7.054 1.336 1.00 . A A . 13 CYS H 1 1 8 3861 1 1 13 CYS HA H -1.476 -6.725 -1.293 1.00 . A A . 13 CYS HA 1 1 8 3862 1 1 13 CYS HB2 H 0.381 -6.393 1.072 1.00 . A A . 13 CYS HB2 1 1 8 3863 1 1 13 CYS HB3 H 0.643 -5.703 -0.524 1.00 . A A . 13 CYS HB3 1 1 8 3864 1 1 13 CYS N N -1.957 -7.574 0.519 1.00 . A A . 13 CYS N 1 1 8 3865 1 1 13 CYS O O 0.147 -9.232 -0.129 1.00 . A A . 13 CYS O 1 1 8 3866 1 1 13 CYS SG S -1.050 -4.537 0.672 1.00 . A A . 13 CYS SG 1 1 8 3867 1 1 14 PRO C C 2.177 -9.967 -1.703 1.00 . A A . 14 PRO C 1 1 8 3868 1 1 14 PRO CA C 1.255 -9.290 -2.716 1.00 . A A . 14 PRO CA 1 1 8 3869 1 1 14 PRO CB C 2.060 -8.513 -3.750 1.00 . A A . 14 PRO CB 1 1 8 3870 1 1 14 PRO CD C 0.180 -7.149 -3.101 1.00 . A A . 14 PRO CD 1 1 8 3871 1 1 14 PRO CG C 1.119 -7.465 -4.243 1.00 . A A . 14 PRO CG 1 1 8 3872 1 1 14 PRO HA H 0.659 -10.038 -3.214 1.00 . A A . 14 PRO HA 1 1 8 3873 1 1 14 PRO HB2 H 2.932 -8.078 -3.281 1.00 . A A . 14 PRO HB2 1 1 8 3874 1 1 14 PRO HB3 H 2.363 -9.174 -4.545 1.00 . A A . 14 PRO HB3 1 1 8 3875 1 1 14 PRO HD2 H 0.427 -6.192 -2.666 1.00 . A A . 14 PRO HD2 1 1 8 3876 1 1 14 PRO HD3 H -0.843 -7.153 -3.444 1.00 . A A . 14 PRO HD3 1 1 8 3877 1 1 14 PRO HG2 H 1.673 -6.581 -4.525 1.00 . A A . 14 PRO HG2 1 1 8 3878 1 1 14 PRO HG3 H 0.563 -7.843 -5.089 1.00 . A A . 14 PRO HG3 1 1 8 3879 1 1 14 PRO N N 0.415 -8.241 -2.135 1.00 . A A . 14 PRO N 1 1 8 3880 1 1 14 PRO O O 2.490 -11.152 -1.825 1.00 . A A . 14 PRO O 1 1 8 3881 1 1 15 SER C C 3.490 -8.818 1.532 1.00 . A A . 15 SER C 1 1 8 3882 1 1 15 SER CA C 3.491 -9.745 0.321 1.00 . A A . 15 SER CA 1 1 8 3883 1 1 15 SER CB C 4.912 -9.911 -0.239 1.00 . A A . 15 SER CB 1 1 8 3884 1 1 15 SER H H 2.329 -8.281 -0.659 1.00 . A A . 15 SER H 1 1 8 3885 1 1 15 SER HA H 3.111 -10.710 0.621 1.00 . A A . 15 SER HA 1 1 8 3886 1 1 15 SER HB2 H 4.875 -10.524 -1.127 1.00 . A A . 15 SER HB2 1 1 8 3887 1 1 15 SER HB3 H 5.312 -8.940 -0.492 1.00 . A A . 15 SER HB3 1 1 8 3888 1 1 15 SER HG H 6.359 -9.857 1.090 1.00 . A A . 15 SER HG 1 1 8 3889 1 1 15 SER N N 2.610 -9.214 -0.705 1.00 . A A . 15 SER N 1 1 8 3890 1 1 15 SER O O 4.544 -8.395 2.007 1.00 . A A . 15 SER O 1 1 8 3891 1 1 15 SER OG O 5.778 -10.529 0.702 1.00 . A A . 15 SER OG 1 1 8 3892 1 1 16 HIS C C 3.088 -6.419 3.013 1.00 . A A . 16 HIS C 1 1 8 3893 1 1 16 HIS CA C 2.150 -7.605 3.170 1.00 . A A . 16 HIS CA 1 1 8 3894 1 1 16 HIS CB C 2.431 -8.349 4.482 1.00 . A A . 16 HIS CB 1 1 8 3895 1 1 16 HIS CD2 C 1.945 -6.189 5.855 1.00 . A A . 16 HIS CD2 1 1 8 3896 1 1 16 HIS CE1 C 2.166 -7.035 7.862 1.00 . A A . 16 HIS CE1 1 1 8 3897 1 1 16 HIS CG C 2.244 -7.505 5.711 1.00 . A A . 16 HIS CG 1 1 8 3898 1 1 16 HIS H H 1.486 -8.860 1.594 1.00 . A A . 16 HIS H 1 1 8 3899 1 1 16 HIS HA H 1.133 -7.241 3.180 1.00 . A A . 16 HIS HA 1 1 8 3900 1 1 16 HIS HB2 H 1.765 -9.195 4.557 1.00 . A A . 16 HIS HB2 1 1 8 3901 1 1 16 HIS HB3 H 3.452 -8.703 4.474 1.00 . A A . 16 HIS HB3 1 1 8 3902 1 1 16 HIS HD1 H 2.584 -8.930 7.224 1.00 . A A . 16 HIS HD1 1 1 8 3903 1 1 16 HIS HD2 H 1.768 -5.482 5.058 1.00 . A A . 16 HIS HD2 1 1 8 3904 1 1 16 HIS HE1 H 2.202 -7.136 8.937 1.00 . A A . 16 HIS HE1 1 1 8 3905 1 1 16 HIS HE2 H 1.861 -5.032 7.600 1.00 . A A . 16 HIS HE2 1 1 8 3906 1 1 16 HIS N N 2.293 -8.495 2.020 1.00 . A A . 16 HIS N 1 1 8 3907 1 1 16 HIS ND1 N 2.376 -8.002 6.990 1.00 . A A . 16 HIS ND1 1 1 8 3908 1 1 16 HIS NE2 N 1.904 -5.926 7.201 1.00 . A A . 16 HIS NE2 1 1 8 3909 1 1 16 HIS O O 3.818 -6.052 3.933 1.00 . A A . 16 HIS O 1 1 8 3910 1 1 17 LEU C C 3.683 -3.590 2.539 1.00 . A A . 17 LEU C 1 1 8 3911 1 1 17 LEU CA C 3.908 -4.694 1.519 1.00 . A A . 17 LEU CA 1 1 8 3912 1 1 17 LEU CB C 3.610 -4.169 0.115 1.00 . A A . 17 LEU CB 1 1 8 3913 1 1 17 LEU CD1 C 3.165 -4.572 -2.312 1.00 . A A . 17 LEU CD1 1 1 8 3914 1 1 17 LEU CD2 C 4.590 -6.184 -1.024 1.00 . A A . 17 LEU CD2 1 1 8 3915 1 1 17 LEU CG C 3.403 -5.233 -0.963 1.00 . A A . 17 LEU CG 1 1 8 3916 1 1 17 LEU H H 2.467 -6.182 1.139 1.00 . A A . 17 LEU H 1 1 8 3917 1 1 17 LEU HA H 4.936 -5.015 1.567 1.00 . A A . 17 LEU HA 1 1 8 3918 1 1 17 LEU HB2 H 2.722 -3.563 0.159 1.00 . A A . 17 LEU HB2 1 1 8 3919 1 1 17 LEU HB3 H 4.432 -3.546 -0.187 1.00 . A A . 17 LEU HB3 1 1 8 3920 1 1 17 LEU HD11 H 3.092 -5.330 -3.078 1.00 . A A . 17 LEU HD11 1 1 8 3921 1 1 17 LEU HD12 H 3.987 -3.909 -2.538 1.00 . A A . 17 LEU HD12 1 1 8 3922 1 1 17 LEU HD13 H 2.245 -4.005 -2.277 1.00 . A A . 17 LEU HD13 1 1 8 3923 1 1 17 LEU HD21 H 4.606 -6.795 -0.135 1.00 . A A . 17 LEU HD21 1 1 8 3924 1 1 17 LEU HD22 H 5.505 -5.616 -1.087 1.00 . A A . 17 LEU HD22 1 1 8 3925 1 1 17 LEU HD23 H 4.497 -6.817 -1.893 1.00 . A A . 17 LEU HD23 1 1 8 3926 1 1 17 LEU HG H 2.525 -5.810 -0.720 1.00 . A A . 17 LEU HG 1 1 8 3927 1 1 17 LEU N N 3.063 -5.834 1.826 1.00 . A A . 17 LEU N 1 1 8 3928 1 1 17 LEU O O 2.554 -3.371 2.989 1.00 . A A . 17 LEU O 1 1 8 3929 1 1 18 ILE C C 3.536 -0.871 3.513 1.00 . A A . 18 ILE C 1 1 8 3930 1 1 18 ILE CA C 4.670 -1.825 3.870 1.00 . A A . 18 ILE CA 1 1 8 3931 1 1 18 ILE CB C 5.994 -1.034 3.972 1.00 . A A . 18 ILE CB 1 1 8 3932 1 1 18 ILE CD1 C 7.657 0.362 2.632 1.00 . A A . 18 ILE CD1 1 1 8 3933 1 1 18 ILE CG1 C 6.442 -0.540 2.591 1.00 . A A . 18 ILE CG1 1 1 8 3934 1 1 18 ILE CG2 C 7.074 -1.899 4.608 1.00 . A A . 18 ILE CG2 1 1 8 3935 1 1 18 ILE H H 5.623 -3.125 2.507 1.00 . A A . 18 ILE H 1 1 8 3936 1 1 18 ILE HA H 4.466 -2.264 4.834 1.00 . A A . 18 ILE HA 1 1 8 3937 1 1 18 ILE HB H 5.829 -0.182 4.614 1.00 . A A . 18 ILE HB 1 1 8 3938 1 1 18 ILE HD11 H 8.001 0.545 1.624 1.00 . A A . 18 ILE HD11 1 1 8 3939 1 1 18 ILE HD12 H 8.443 -0.116 3.199 1.00 . A A . 18 ILE HD12 1 1 8 3940 1 1 18 ILE HD13 H 7.394 1.298 3.099 1.00 . A A . 18 ILE HD13 1 1 8 3941 1 1 18 ILE HG12 H 6.687 -1.392 1.977 1.00 . A A . 18 ILE HG12 1 1 8 3942 1 1 18 ILE HG13 H 5.636 0.010 2.132 1.00 . A A . 18 ILE HG13 1 1 8 3943 1 1 18 ILE HG21 H 8.036 -1.426 4.480 1.00 . A A . 18 ILE HG21 1 1 8 3944 1 1 18 ILE HG22 H 7.084 -2.870 4.135 1.00 . A A . 18 ILE HG22 1 1 8 3945 1 1 18 ILE HG23 H 6.868 -2.015 5.661 1.00 . A A . 18 ILE HG23 1 1 8 3946 1 1 18 ILE N N 4.756 -2.902 2.901 1.00 . A A . 18 ILE N 1 1 8 3947 1 1 18 ILE O O 3.448 -0.385 2.381 1.00 . A A . 18 ILE O 1 1 8 3948 1 1 19 LYS C C 2.045 1.716 4.119 1.00 . A A . 19 LYS C 1 1 8 3949 1 1 19 LYS CA C 1.542 0.283 4.262 1.00 . A A . 19 LYS CA 1 1 8 3950 1 1 19 LYS CB C 0.527 0.155 5.406 1.00 . A A . 19 LYS CB 1 1 8 3951 1 1 19 LYS CD C -1.534 1.032 6.556 1.00 . A A . 19 LYS CD 1 1 8 3952 1 1 19 LYS CE C -0.890 1.054 7.935 1.00 . A A . 19 LYS CE 1 1 8 3953 1 1 19 LYS CG C -0.514 1.265 5.448 1.00 . A A . 19 LYS CG 1 1 8 3954 1 1 19 LYS H H 2.782 -1.033 5.356 1.00 . A A . 19 LYS H 1 1 8 3955 1 1 19 LYS HA H 1.069 -0.012 3.341 1.00 . A A . 19 LYS HA 1 1 8 3956 1 1 19 LYS HB2 H 0.001 -0.787 5.297 1.00 . A A . 19 LYS HB2 1 1 8 3957 1 1 19 LYS HB3 H 1.060 0.152 6.346 1.00 . A A . 19 LYS HB3 1 1 8 3958 1 1 19 LYS HD2 H -2.282 1.806 6.510 1.00 . A A . 19 LYS HD2 1 1 8 3959 1 1 19 LYS HD3 H -2.001 0.070 6.403 1.00 . A A . 19 LYS HD3 1 1 8 3960 1 1 19 LYS HE2 H -0.107 0.312 7.965 1.00 . A A . 19 LYS HE2 1 1 8 3961 1 1 19 LYS HE3 H -0.466 2.032 8.103 1.00 . A A . 19 LYS HE3 1 1 8 3962 1 1 19 LYS HG2 H -0.016 2.207 5.624 1.00 . A A . 19 LYS HG2 1 1 8 3963 1 1 19 LYS HG3 H -1.027 1.299 4.498 1.00 . A A . 19 LYS HG3 1 1 8 3964 1 1 19 LYS HZ1 H -2.500 1.573 9.159 1.00 . A A . 19 LYS HZ1 1 1 8 3965 1 1 19 LYS HZ2 H -1.372 0.560 9.902 1.00 . A A . 19 LYS HZ2 1 1 8 3966 1 1 19 LYS HZ3 H -2.447 -0.068 8.760 1.00 . A A . 19 LYS HZ3 1 1 8 3967 1 1 19 LYS N N 2.665 -0.612 4.477 1.00 . A A . 19 LYS N 1 1 8 3968 1 1 19 LYS NZ N -1.871 0.759 9.013 1.00 . A A . 19 LYS NZ 1 1 8 3969 1 1 19 LYS O O 2.942 2.141 4.847 1.00 . A A . 19 LYS O 1 1 8 3970 1 1 20 VAL C C 0.672 4.641 2.439 1.00 . A A . 20 VAL C 1 1 8 3971 1 1 20 VAL CA C 1.876 3.816 2.890 1.00 . A A . 20 VAL CA 1 1 8 3972 1 1 20 VAL CB C 2.980 3.869 1.807 1.00 . A A . 20 VAL CB 1 1 8 3973 1 1 20 VAL CG1 C 4.302 3.365 2.368 1.00 . A A . 20 VAL CG1 1 1 8 3974 1 1 20 VAL CG2 C 2.573 3.053 0.584 1.00 . A A . 20 VAL CG2 1 1 8 3975 1 1 20 VAL H H 0.789 2.033 2.610 1.00 . A A . 20 VAL H 1 1 8 3976 1 1 20 VAL HA H 2.271 4.240 3.802 1.00 . A A . 20 VAL HA 1 1 8 3977 1 1 20 VAL HB H 3.112 4.898 1.502 1.00 . A A . 20 VAL HB 1 1 8 3978 1 1 20 VAL HG11 H 4.448 3.764 3.361 1.00 . A A . 20 VAL HG11 1 1 8 3979 1 1 20 VAL HG12 H 5.109 3.689 1.728 1.00 . A A . 20 VAL HG12 1 1 8 3980 1 1 20 VAL HG13 H 4.287 2.286 2.412 1.00 . A A . 20 VAL HG13 1 1 8 3981 1 1 20 VAL HG21 H 2.389 2.031 0.877 1.00 . A A . 20 VAL HG21 1 1 8 3982 1 1 20 VAL HG22 H 3.368 3.077 -0.150 1.00 . A A . 20 VAL HG22 1 1 8 3983 1 1 20 VAL HG23 H 1.676 3.469 0.153 1.00 . A A . 20 VAL HG23 1 1 8 3984 1 1 20 VAL N N 1.482 2.440 3.163 1.00 . A A . 20 VAL N 1 1 8 3985 1 1 20 VAL O O 0.702 5.302 1.398 1.00 . A A . 20 VAL O 1 1 8 3986 1 1 21 GLY C C -2.818 4.439 3.000 1.00 . A A . 21 GLY C 1 1 8 3987 1 1 21 GLY CA C -1.599 5.330 2.929 1.00 . A A . 21 GLY CA 1 1 8 3988 1 1 21 GLY H H -0.342 4.050 4.052 1.00 . A A . 21 GLY H 1 1 8 3989 1 1 21 GLY HA2 H -1.710 6.136 3.639 1.00 . A A . 21 GLY HA2 1 1 8 3990 1 1 21 GLY HA3 H -1.524 5.743 1.934 1.00 . A A . 21 GLY HA3 1 1 8 3991 1 1 21 GLY N N -0.386 4.594 3.235 1.00 . A A . 21 GLY N 1 1 8 3992 1 1 21 GLY O O -2.778 3.381 3.636 1.00 . A A . 21 GLY O 1 1 8 3993 1 1 22 SER C C -6.115 4.548 1.328 1.00 . A A . 22 SER C 1 1 8 3994 1 1 22 SER CA C -5.112 4.039 2.341 1.00 . A A . 22 SER CA 1 1 8 3995 1 1 22 SER CB C -5.752 4.012 3.726 1.00 . A A . 22 SER CB 1 1 8 3996 1 1 22 SER H H -3.874 5.677 1.837 1.00 . A A . 22 SER H 1 1 8 3997 1 1 22 SER HA H -4.845 3.033 2.070 1.00 . A A . 22 SER HA 1 1 8 3998 1 1 22 SER HB2 H -5.050 3.607 4.434 1.00 . A A . 22 SER HB2 1 1 8 3999 1 1 22 SER HB3 H -6.022 5.016 4.014 1.00 . A A . 22 SER HB3 1 1 8 4000 1 1 22 SER HG H -7.694 3.775 3.832 1.00 . A A . 22 SER HG 1 1 8 4001 1 1 22 SER N N -3.896 4.834 2.341 1.00 . A A . 22 SER N 1 1 8 4002 1 1 22 SER O O -6.256 5.752 1.105 1.00 . A A . 22 SER O 1 1 8 4003 1 1 22 SER OG O -6.918 3.207 3.733 1.00 . A A . 22 SER OG 1 1 8 4004 1 1 23 CYS C C -9.195 3.930 0.420 1.00 . A A . 23 CYS C 1 1 8 4005 1 1 23 CYS CA C -7.830 3.885 -0.255 1.00 . A A . 23 CYS CA 1 1 8 4006 1 1 23 CYS CB C -7.783 2.822 -1.360 1.00 . A A . 23 CYS CB 1 1 8 4007 1 1 23 CYS H H -6.637 2.670 0.988 1.00 . A A . 23 CYS H 1 1 8 4008 1 1 23 CYS HA H -7.620 4.853 -0.685 1.00 . A A . 23 CYS HA 1 1 8 4009 1 1 23 CYS HB2 H -7.987 1.847 -0.932 1.00 . A A . 23 CYS HB2 1 1 8 4010 1 1 23 CYS HB3 H -8.528 3.049 -2.107 1.00 . A A . 23 CYS HB3 1 1 8 4011 1 1 23 CYS N N -6.810 3.600 0.735 1.00 . A A . 23 CYS N 1 1 8 4012 1 1 23 CYS O O -9.927 4.912 0.305 1.00 . A A . 23 CYS O 1 1 8 4013 1 1 23 CYS SG S -6.157 2.741 -2.192 1.00 . A A . 23 CYS SG 1 1 8 4014 1 1 24 PHE C C -10.871 1.399 2.537 1.00 . A A . 24 PHE C 1 1 8 4015 1 1 24 PHE CA C -10.763 2.771 1.887 1.00 . A A . 24 PHE CA 1 1 8 4016 1 1 24 PHE CB C -11.975 3.064 0.990 1.00 . A A . 24 PHE CB 1 1 8 4017 1 1 24 PHE CD1 C -12.132 1.103 -0.578 1.00 . A A . 24 PHE CD1 1 1 8 4018 1 1 24 PHE CD2 C -11.641 3.250 -1.490 1.00 . A A . 24 PHE CD2 1 1 8 4019 1 1 24 PHE CE1 C -12.084 0.556 -1.848 1.00 . A A . 24 PHE CE1 1 1 8 4020 1 1 24 PHE CE2 C -11.590 2.706 -2.757 1.00 . A A . 24 PHE CE2 1 1 8 4021 1 1 24 PHE CG C -11.911 2.457 -0.385 1.00 . A A . 24 PHE CG 1 1 8 4022 1 1 24 PHE CZ C -11.812 1.358 -2.935 1.00 . A A . 24 PHE CZ 1 1 8 4023 1 1 24 PHE H H -8.872 2.135 1.221 1.00 . A A . 24 PHE H 1 1 8 4024 1 1 24 PHE HA H -10.730 3.511 2.674 1.00 . A A . 24 PHE HA 1 1 8 4025 1 1 24 PHE HB2 H -12.861 2.682 1.472 1.00 . A A . 24 PHE HB2 1 1 8 4026 1 1 24 PHE HB3 H -12.074 4.134 0.876 1.00 . A A . 24 PHE HB3 1 1 8 4027 1 1 24 PHE HD1 H -12.344 0.473 0.271 1.00 . A A . 24 PHE HD1 1 1 8 4028 1 1 24 PHE HD2 H -11.468 4.307 -1.353 1.00 . A A . 24 PHE HD2 1 1 8 4029 1 1 24 PHE HE1 H -12.257 -0.498 -1.989 1.00 . A A . 24 PHE HE1 1 1 8 4030 1 1 24 PHE HE2 H -11.375 3.334 -3.608 1.00 . A A . 24 PHE HE2 1 1 8 4031 1 1 24 PHE HZ H -11.775 0.931 -3.925 1.00 . A A . 24 PHE HZ 1 1 8 4032 1 1 24 PHE N N -9.510 2.872 1.153 1.00 . A A . 24 PHE N 1 1 8 4033 1 1 24 PHE O O -10.391 0.403 1.989 1.00 . A A . 24 PHE O 1 1 8 4034 1 1 25 GLY C C -10.228 -0.422 4.854 1.00 . A A . 25 GLY C 1 1 8 4035 1 1 25 GLY CA C -11.585 0.109 4.442 1.00 . A A . 25 GLY CA 1 1 8 4036 1 1 25 GLY H H -11.794 2.187 4.120 1.00 . A A . 25 GLY H 1 1 8 4037 1 1 25 GLY HA2 H -12.187 0.269 5.324 1.00 . A A . 25 GLY HA2 1 1 8 4038 1 1 25 GLY HA3 H -12.070 -0.617 3.808 1.00 . A A . 25 GLY HA3 1 1 8 4039 1 1 25 GLY N N -11.461 1.357 3.720 1.00 . A A . 25 GLY N 1 1 8 4040 1 1 25 GLY O O -9.337 0.354 5.205 1.00 . A A . 25 GLY O 1 1 8 4041 1 1 26 PHE C C -7.805 -2.267 4.007 1.00 . A A . 26 PHE C 1 1 8 4042 1 1 26 PHE CA C -8.790 -2.355 5.166 1.00 . A A . 26 PHE CA 1 1 8 4043 1 1 26 PHE CB C -9.010 -3.820 5.562 1.00 . A A . 26 PHE CB 1 1 8 4044 1 1 26 PHE CD1 C -9.079 -4.843 3.258 1.00 . A A . 26 PHE CD1 1 1 8 4045 1 1 26 PHE CD2 C -10.908 -5.241 4.735 1.00 . A A . 26 PHE CD2 1 1 8 4046 1 1 26 PHE CE1 C -9.695 -5.607 2.285 1.00 . A A . 26 PHE CE1 1 1 8 4047 1 1 26 PHE CE2 C -11.529 -6.005 3.764 1.00 . A A . 26 PHE CE2 1 1 8 4048 1 1 26 PHE CG C -9.678 -4.650 4.496 1.00 . A A . 26 PHE CG 1 1 8 4049 1 1 26 PHE CZ C -10.922 -6.188 2.538 1.00 . A A . 26 PHE CZ 1 1 8 4050 1 1 26 PHE H H -10.803 -2.300 4.508 1.00 . A A . 26 PHE H 1 1 8 4051 1 1 26 PHE HA H -8.385 -1.818 6.011 1.00 . A A . 26 PHE HA 1 1 8 4052 1 1 26 PHE HB2 H -8.053 -4.272 5.780 1.00 . A A . 26 PHE HB2 1 1 8 4053 1 1 26 PHE HB3 H -9.627 -3.856 6.448 1.00 . A A . 26 PHE HB3 1 1 8 4054 1 1 26 PHE HD1 H -8.119 -4.394 3.057 1.00 . A A . 26 PHE HD1 1 1 8 4055 1 1 26 PHE HD2 H -11.385 -5.098 5.692 1.00 . A A . 26 PHE HD2 1 1 8 4056 1 1 26 PHE HE1 H -9.219 -5.747 1.327 1.00 . A A . 26 PHE HE1 1 1 8 4057 1 1 26 PHE HE2 H -12.488 -6.459 3.966 1.00 . A A . 26 PHE HE2 1 1 8 4058 1 1 26 PHE HZ H -11.405 -6.783 1.778 1.00 . A A . 26 PHE HZ 1 1 8 4059 1 1 26 PHE N N -10.058 -1.732 4.803 1.00 . A A . 26 PHE N 1 1 8 4060 1 1 26 PHE O O -6.681 -2.764 4.092 1.00 . A A . 26 PHE O 1 1 8 4061 1 1 27 ARG C C -6.341 -0.451 1.890 1.00 . A A . 27 ARG C 1 1 8 4062 1 1 27 ARG CA C -7.421 -1.517 1.723 1.00 . A A . 27 ARG CA 1 1 8 4063 1 1 27 ARG CB C -8.294 -1.193 0.513 1.00 . A A . 27 ARG CB 1 1 8 4064 1 1 27 ARG CD C -10.207 -1.852 -0.953 1.00 . A A . 27 ARG CD 1 1 8 4065 1 1 27 ARG CG C -9.436 -2.169 0.313 1.00 . A A . 27 ARG CG 1 1 8 4066 1 1 27 ARG CZ C -11.816 -3.730 -0.939 1.00 . A A . 27 ARG CZ 1 1 8 4067 1 1 27 ARG H H -9.155 -1.290 2.911 1.00 . A A . 27 ARG H 1 1 8 4068 1 1 27 ARG HA H -6.940 -2.466 1.552 1.00 . A A . 27 ARG HA 1 1 8 4069 1 1 27 ARG HB2 H -8.709 -0.204 0.636 1.00 . A A . 27 ARG HB2 1 1 8 4070 1 1 27 ARG HB3 H -7.683 -1.207 -0.372 1.00 . A A . 27 ARG HB3 1 1 8 4071 1 1 27 ARG HD2 H -10.279 -0.781 -1.053 1.00 . A A . 27 ARG HD2 1 1 8 4072 1 1 27 ARG HD3 H -9.667 -2.255 -1.797 1.00 . A A . 27 ARG HD3 1 1 8 4073 1 1 27 ARG HE H -12.303 -1.791 -0.898 1.00 . A A . 27 ARG HE 1 1 8 4074 1 1 27 ARG HG2 H -9.033 -3.166 0.238 1.00 . A A . 27 ARG HG2 1 1 8 4075 1 1 27 ARG HG3 H -10.105 -2.107 1.159 1.00 . A A . 27 ARG HG3 1 1 8 4076 1 1 27 ARG HH11 H -9.882 -4.307 -1.069 1.00 . A A . 27 ARG HH11 1 1 8 4077 1 1 27 ARG HH12 H -11.036 -5.598 -1.022 1.00 . A A . 27 ARG HH12 1 1 8 4078 1 1 27 ARG HH21 H -13.822 -3.486 -0.846 1.00 . A A . 27 ARG HH21 1 1 8 4079 1 1 27 ARG HH22 H -13.274 -5.131 -0.893 1.00 . A A . 27 ARG HH22 1 1 8 4080 1 1 27 ARG N N -8.244 -1.652 2.918 1.00 . A A . 27 ARG N 1 1 8 4081 1 1 27 ARG NE N -11.552 -2.423 -0.932 1.00 . A A . 27 ARG NE 1 1 8 4082 1 1 27 ARG NH1 N -10.831 -4.613 -1.015 1.00 . A A . 27 ARG NH1 1 1 8 4083 1 1 27 ARG NH2 N -13.071 -4.149 -0.888 1.00 . A A . 27 ARG NH2 1 1 8 4084 1 1 27 ARG O O -6.201 0.443 1.054 1.00 . A A . 27 ARG O 1 1 8 4085 1 1 28 SER C C -3.507 0.368 2.050 1.00 . A A . 28 SER C 1 1 8 4086 1 1 28 SER CA C -4.498 0.391 3.214 1.00 . A A . 28 SER CA 1 1 8 4087 1 1 28 SER CB C -3.786 0.021 4.513 1.00 . A A . 28 SER CB 1 1 8 4088 1 1 28 SER H H -5.720 -1.289 3.590 1.00 . A A . 28 SER H 1 1 8 4089 1 1 28 SER HA H -4.925 1.378 3.304 1.00 . A A . 28 SER HA 1 1 8 4090 1 1 28 SER HB2 H -3.014 -0.705 4.306 1.00 . A A . 28 SER HB2 1 1 8 4091 1 1 28 SER HB3 H -3.346 0.907 4.941 1.00 . A A . 28 SER HB3 1 1 8 4092 1 1 28 SER HG H -5.477 0.031 5.510 1.00 . A A . 28 SER HG 1 1 8 4093 1 1 28 SER N N -5.571 -0.554 2.960 1.00 . A A . 28 SER N 1 1 8 4094 1 1 28 SER O O -3.202 -0.695 1.521 1.00 . A A . 28 SER O 1 1 8 4095 1 1 28 SER OG O -4.697 -0.534 5.448 1.00 . A A . 28 SER OG 1 1 8 4096 1 1 29 CYS C C -0.782 0.852 0.943 1.00 . A A . 29 CYS C 1 1 8 4097 1 1 29 CYS CA C -2.049 1.612 0.568 1.00 . A A . 29 CYS CA 1 1 8 4098 1 1 29 CYS CB C -1.749 3.084 0.266 1.00 . A A . 29 CYS CB 1 1 8 4099 1 1 29 CYS H H -3.273 2.343 2.122 1.00 . A A . 29 CYS H 1 1 8 4100 1 1 29 CYS HA H -2.491 1.151 -0.304 1.00 . A A . 29 CYS HA 1 1 8 4101 1 1 29 CYS HB2 H -1.392 3.557 1.167 1.00 . A A . 29 CYS HB2 1 1 8 4102 1 1 29 CYS HB3 H -0.987 3.152 -0.491 1.00 . A A . 29 CYS HB3 1 1 8 4103 1 1 29 CYS N N -3.007 1.525 1.661 1.00 . A A . 29 CYS N 1 1 8 4104 1 1 29 CYS O O -0.386 0.861 2.106 1.00 . A A . 29 CYS O 1 1 8 4105 1 1 29 CYS SG S -3.210 4.017 -0.311 1.00 . A A . 29 CYS SG 1 1 8 4106 1 1 30 CYS C C 1.917 -0.754 -0.964 1.00 . A A . 30 CYS C 1 1 8 4107 1 1 30 CYS CA C 1.037 -0.608 0.267 1.00 . A A . 30 CYS CA 1 1 8 4108 1 1 30 CYS CB C 0.661 -1.994 0.786 1.00 . A A . 30 CYS CB 1 1 8 4109 1 1 30 CYS H H -0.534 0.167 -0.923 1.00 . A A . 30 CYS H 1 1 8 4110 1 1 30 CYS HA H 1.596 -0.093 1.031 1.00 . A A . 30 CYS HA 1 1 8 4111 1 1 30 CYS HB2 H 1.557 -2.518 1.069 1.00 . A A . 30 CYS HB2 1 1 8 4112 1 1 30 CYS HB3 H 0.036 -1.879 1.651 1.00 . A A . 30 CYS HB3 1 1 8 4113 1 1 30 CYS N N -0.164 0.170 -0.015 1.00 . A A . 30 CYS N 1 1 8 4114 1 1 30 CYS O O 1.447 -0.652 -2.098 1.00 . A A . 30 CYS O 1 1 8 4115 1 1 30 CYS SG S -0.236 -3.031 -0.427 1.00 . A A . 30 CYS SG 1 1 8 4116 1 1 31 LYS C C 5.413 -1.827 -1.204 1.00 . A A . 31 LYS C 1 1 8 4117 1 1 31 LYS CA C 4.171 -1.167 -1.778 1.00 . A A . 31 LYS CA 1 1 8 4118 1 1 31 LYS CB C 4.492 0.172 -2.436 1.00 . A A . 31 LYS CB 1 1 8 4119 1 1 31 LYS CD C 6.346 1.280 -1.138 1.00 . A A . 31 LYS CD 1 1 8 4120 1 1 31 LYS CE C 6.697 2.472 -0.269 1.00 . A A . 31 LYS CE 1 1 8 4121 1 1 31 LYS CG C 4.864 1.274 -1.465 1.00 . A A . 31 LYS CG 1 1 8 4122 1 1 31 LYS H H 3.496 -1.060 0.214 1.00 . A A . 31 LYS H 1 1 8 4123 1 1 31 LYS HA H 3.739 -1.824 -2.516 1.00 . A A . 31 LYS HA 1 1 8 4124 1 1 31 LYS HB2 H 5.311 0.038 -3.123 1.00 . A A . 31 LYS HB2 1 1 8 4125 1 1 31 LYS HB3 H 3.625 0.495 -2.988 1.00 . A A . 31 LYS HB3 1 1 8 4126 1 1 31 LYS HD2 H 6.597 0.374 -0.610 1.00 . A A . 31 LYS HD2 1 1 8 4127 1 1 31 LYS HD3 H 6.910 1.333 -2.057 1.00 . A A . 31 LYS HD3 1 1 8 4128 1 1 31 LYS HE2 H 6.231 3.353 -0.685 1.00 . A A . 31 LYS HE2 1 1 8 4129 1 1 31 LYS HE3 H 6.306 2.296 0.723 1.00 . A A . 31 LYS HE3 1 1 8 4130 1 1 31 LYS HG2 H 4.603 2.218 -1.907 1.00 . A A . 31 LYS HG2 1 1 8 4131 1 1 31 LYS HG3 H 4.304 1.138 -0.550 1.00 . A A . 31 LYS HG3 1 1 8 4132 1 1 31 LYS HZ1 H 8.667 1.781 -0.189 1.00 . A A . 31 LYS HZ1 1 1 8 4133 1 1 31 LYS HZ2 H 8.400 3.192 0.698 1.00 . A A . 31 LYS HZ2 1 1 8 4134 1 1 31 LYS HZ3 H 8.491 3.260 -0.986 1.00 . A A . 31 LYS HZ3 1 1 8 4135 1 1 31 LYS N N 3.194 -0.994 -0.720 1.00 . A A . 31 LYS N 1 1 8 4136 1 1 31 LYS NZ N 8.165 2.690 -0.181 1.00 . A A . 31 LYS NZ 1 1 8 4137 1 1 31 LYS O O 5.761 -1.598 -0.046 1.00 . A A . 31 LYS O 1 1 8 4138 1 1 32 TRP C C 8.231 -2.437 -0.899 1.00 . A A . 32 TRP C 1 1 8 4139 1 1 32 TRP CA C 7.228 -3.397 -1.532 1.00 . A A . 32 TRP CA 1 1 8 4140 1 1 32 TRP CB C 7.870 -4.174 -2.681 1.00 . A A . 32 TRP CB 1 1 8 4141 1 1 32 TRP CD1 C 5.847 -5.055 -3.994 1.00 . A A . 32 TRP CD1 1 1 8 4142 1 1 32 TRP CD2 C 7.131 -6.654 -3.101 1.00 . A A . 32 TRP CD2 1 1 8 4143 1 1 32 TRP CE2 C 6.068 -7.266 -3.792 1.00 . A A . 32 TRP CE2 1 1 8 4144 1 1 32 TRP CE3 C 8.067 -7.466 -2.456 1.00 . A A . 32 TRP CE3 1 1 8 4145 1 1 32 TRP CG C 6.978 -5.239 -3.250 1.00 . A A . 32 TRP CG 1 1 8 4146 1 1 32 TRP CH2 C 6.847 -9.417 -3.214 1.00 . A A . 32 TRP CH2 1 1 8 4147 1 1 32 TRP CZ2 C 5.916 -8.648 -3.854 1.00 . A A . 32 TRP CZ2 1 1 8 4148 1 1 32 TRP CZ3 C 7.915 -8.838 -2.518 1.00 . A A . 32 TRP CZ3 1 1 8 4149 1 1 32 TRP H H 5.708 -2.841 -2.895 1.00 . A A . 32 TRP H 1 1 8 4150 1 1 32 TRP HA H 6.903 -4.097 -0.778 1.00 . A A . 32 TRP HA 1 1 8 4151 1 1 32 TRP HB2 H 8.123 -3.488 -3.476 1.00 . A A . 32 TRP HB2 1 1 8 4152 1 1 32 TRP HB3 H 8.771 -4.649 -2.322 1.00 . A A . 32 TRP HB3 1 1 8 4153 1 1 32 TRP HD1 H 5.455 -4.092 -4.279 1.00 . A A . 32 TRP HD1 1 1 8 4154 1 1 32 TRP HE1 H 4.488 -6.401 -4.867 1.00 . A A . 32 TRP HE1 1 1 8 4155 1 1 32 TRP HE3 H 8.896 -7.037 -1.914 1.00 . A A . 32 TRP HE3 1 1 8 4156 1 1 32 TRP HH2 H 6.768 -10.494 -3.234 1.00 . A A . 32 TRP HH2 1 1 8 4157 1 1 32 TRP HZ2 H 5.098 -9.109 -4.386 1.00 . A A . 32 TRP HZ2 1 1 8 4158 1 1 32 TRP HZ3 H 8.628 -9.479 -2.025 1.00 . A A . 32 TRP HZ3 1 1 8 4159 1 1 32 TRP N N 6.050 -2.678 -1.991 1.00 . A A . 32 TRP N 1 1 8 4160 1 1 32 TRP NE1 N 5.300 -6.269 -4.328 1.00 . A A . 32 TRP NE1 1 1 8 4161 1 1 32 TRP O O 8.418 -1.318 -1.378 1.00 . A A . 32 TRP O 1 1 8 4162 1 1 33 PRO C C 10.890 -1.431 -0.081 1.00 . A A . 33 PRO C 1 1 8 4163 1 1 33 PRO CA C 9.865 -2.015 0.886 1.00 . A A . 33 PRO CA 1 1 8 4164 1 1 33 PRO CB C 10.530 -2.980 1.869 1.00 . A A . 33 PRO CB 1 1 8 4165 1 1 33 PRO CD C 8.735 -4.178 0.838 1.00 . A A . 33 PRO CD 1 1 8 4166 1 1 33 PRO CG C 9.504 -4.030 2.121 1.00 . A A . 33 PRO CG 1 1 8 4167 1 1 33 PRO HA H 9.380 -1.215 1.430 1.00 . A A . 33 PRO HA 1 1 8 4168 1 1 33 PRO HB2 H 11.422 -3.396 1.424 1.00 . A A . 33 PRO HB2 1 1 8 4169 1 1 33 PRO HB3 H 10.786 -2.454 2.777 1.00 . A A . 33 PRO HB3 1 1 8 4170 1 1 33 PRO HD2 H 9.168 -4.962 0.227 1.00 . A A . 33 PRO HD2 1 1 8 4171 1 1 33 PRO HD3 H 7.696 -4.387 1.044 1.00 . A A . 33 PRO HD3 1 1 8 4172 1 1 33 PRO HG2 H 9.988 -4.961 2.379 1.00 . A A . 33 PRO HG2 1 1 8 4173 1 1 33 PRO HG3 H 8.846 -3.715 2.918 1.00 . A A . 33 PRO HG3 1 1 8 4174 1 1 33 PRO N N 8.890 -2.857 0.192 1.00 . A A . 33 PRO N 1 1 8 4175 1 1 33 PRO O O 11.179 -0.234 -0.061 1.00 . A A . 33 PRO O 1 1 8 4176 1 1 34 TRP C C 11.751 -1.178 -3.097 1.00 . A A . 34 TRP C 1 1 8 4177 1 1 34 TRP CA C 12.414 -1.894 -1.925 1.00 . A A . 34 TRP CA 1 1 8 4178 1 1 34 TRP CB C 13.179 -3.128 -2.403 1.00 . A A . 34 TRP CB 1 1 8 4179 1 1 34 TRP CD1 C 11.138 -4.354 -3.359 1.00 . A A . 34 TRP CD1 1 1 8 4180 1 1 34 TRP CD2 C 12.489 -5.607 -2.106 1.00 . A A . 34 TRP CD2 1 1 8 4181 1 1 34 TRP CE2 C 11.420 -6.406 -2.537 1.00 . A A . 34 TRP CE2 1 1 8 4182 1 1 34 TRP CE3 C 13.475 -6.164 -1.305 1.00 . A A . 34 TRP CE3 1 1 8 4183 1 1 34 TRP CG C 12.293 -4.306 -2.635 1.00 . A A . 34 TRP CG 1 1 8 4184 1 1 34 TRP CH2 C 12.294 -8.273 -1.392 1.00 . A A . 34 TRP CH2 1 1 8 4185 1 1 34 TRP CZ2 C 11.312 -7.746 -2.184 1.00 . A A . 34 TRP CZ2 1 1 8 4186 1 1 34 TRP CZ3 C 13.372 -7.495 -0.953 1.00 . A A . 34 TRP CZ3 1 1 8 4187 1 1 34 TRP H H 11.145 -3.230 -0.892 1.00 . A A . 34 TRP H 1 1 8 4188 1 1 34 TRP HA H 13.107 -1.215 -1.451 1.00 . A A . 34 TRP HA 1 1 8 4189 1 1 34 TRP HB2 H 13.692 -2.909 -3.322 1.00 . A A . 34 TRP HB2 1 1 8 4190 1 1 34 TRP HB3 H 13.905 -3.403 -1.653 1.00 . A A . 34 TRP HB3 1 1 8 4191 1 1 34 TRP HD1 H 10.717 -3.515 -3.887 1.00 . A A . 34 TRP HD1 1 1 8 4192 1 1 34 TRP HE1 H 9.773 -5.909 -3.745 1.00 . A A . 34 TRP HE1 1 1 8 4193 1 1 34 TRP HE3 H 14.312 -5.569 -0.969 1.00 . A A . 34 TRP HE3 1 1 8 4194 1 1 34 TRP HH2 H 12.248 -9.304 -1.091 1.00 . A A . 34 TRP HH2 1 1 8 4195 1 1 34 TRP HZ2 H 10.489 -8.359 -2.515 1.00 . A A . 34 TRP HZ2 1 1 8 4196 1 1 34 TRP HZ3 H 14.128 -7.946 -0.329 1.00 . A A . 34 TRP HZ3 1 1 8 4197 1 1 34 TRP N N 11.425 -2.292 -0.930 1.00 . A A . 34 TRP N 1 1 8 4198 1 1 34 TRP NE1 N 10.604 -5.618 -3.304 1.00 . A A . 34 TRP NE1 1 1 8 4199 1 1 34 TRP O O 12.428 -0.592 -3.941 1.00 . A A . 34 TRP O 1 1 8 4200 1 1 35 ASN C C 10.102 -1.080 -5.571 1.00 . A A . 35 ASN C 1 1 8 4201 1 1 35 ASN CA C 9.656 -0.579 -4.200 1.00 . A A . 35 ASN CA 1 1 8 4202 1 1 35 ASN CB C 9.797 0.945 -4.115 1.00 . A A . 35 ASN CB 1 1 8 4203 1 1 35 ASN CG C 8.915 1.671 -5.116 1.00 . A A . 35 ASN CG 1 1 8 4204 1 1 35 ASN H H 9.944 -1.703 -2.429 1.00 . A A . 35 ASN H 1 1 8 4205 1 1 35 ASN HA H 8.618 -0.842 -4.059 1.00 . A A . 35 ASN HA 1 1 8 4206 1 1 35 ASN HB2 H 9.516 1.268 -3.126 1.00 . A A . 35 ASN HB2 1 1 8 4207 1 1 35 ASN HB3 H 10.824 1.219 -4.302 1.00 . A A . 35 ASN HB3 1 1 8 4208 1 1 35 ASN HD21 H 10.502 2.530 -5.942 1.00 . A A . 35 ASN HD21 1 1 8 4209 1 1 35 ASN HD22 H 8.975 2.938 -6.646 1.00 . A A . 35 ASN HD22 1 1 8 4210 1 1 35 ASN N N 10.424 -1.226 -3.137 1.00 . A A . 35 ASN N 1 1 8 4211 1 1 35 ASN ND2 N 9.525 2.457 -5.988 1.00 . A A . 35 ASN ND2 1 1 8 4212 1 1 35 ASN O O 10.551 -0.305 -6.421 1.00 . A A . 35 ASN O 1 1 8 4213 1 1 35 ASN OD1 O 7.691 1.538 -5.095 1.00 . A A . 35 ASN OD1 1 1 8 4214 1 1 36 ALA C C 9.887 -4.467 -7.038 1.00 . A A . 36 ALA C 1 1 8 4215 1 1 36 ALA CA C 10.357 -3.018 -7.028 1.00 . A A . 36 ALA CA 1 1 8 4216 1 1 36 ALA CB C 11.865 -2.946 -7.222 1.00 . A A . 36 ALA CB 1 1 8 4217 1 1 36 ALA H H 9.610 -2.943 -5.060 1.00 . A A . 36 ALA H 1 1 8 4218 1 1 36 ALA HA H 9.880 -2.484 -7.838 1.00 . A A . 36 ALA HA 1 1 8 4219 1 1 36 ALA HB1 H 12.360 -3.195 -6.295 1.00 . A A . 36 ALA HB1 1 1 8 4220 1 1 36 ALA HB2 H 12.142 -1.947 -7.521 1.00 . A A . 36 ALA HB2 1 1 8 4221 1 1 36 ALA HB3 H 12.164 -3.647 -7.989 1.00 . A A . 36 ALA HB3 1 1 8 4222 1 1 36 ALA N N 9.975 -2.384 -5.775 1.00 . A A . 36 ALA N 1 1 8 4223 1 1 36 ALA O O 9.592 -4.998 -5.944 1.00 . A A . 36 ALA O 1 1 8 4224 1 1 36 ALA OXT O 9.794 -5.066 -8.127 1.00 . A A . 36 ALA OXT 1 1 9 4225 1 1 1 LEU C C -1.164 4.853 -4.441 1.00 . A A . 1 LEU C 1 1 9 4226 1 1 1 LEU CA C -1.570 3.445 -4.024 1.00 . A A . 1 LEU CA 1 1 9 4227 1 1 1 LEU CB C -0.384 2.476 -4.137 1.00 . A A . 1 LEU CB 1 1 9 4228 1 1 1 LEU CD1 C 1.397 3.940 -3.073 1.00 . A A . 1 LEU CD1 1 1 9 4229 1 1 1 LEU CD2 C 0.208 2.266 -1.688 1.00 . A A . 1 LEU CD2 1 1 9 4230 1 1 1 LEU CG C 0.733 2.580 -3.072 1.00 . A A . 1 LEU CG 1 1 9 4231 1 1 1 LEU H1 H -2.570 1.927 -5.046 1.00 . A A . 1 LEU H1 1 1 9 4232 1 1 1 LEU H2 H -2.608 3.418 -5.829 1.00 . A A . 1 LEU H2 1 1 9 4233 1 1 1 LEU H3 H -3.588 3.151 -4.481 1.00 . A A . 1 LEU H3 1 1 9 4234 1 1 1 LEU HA H -1.927 3.463 -3.006 1.00 . A A . 1 LEU HA 1 1 9 4235 1 1 1 LEU HB2 H -0.773 1.479 -4.104 1.00 . A A . 1 LEU HB2 1 1 9 4236 1 1 1 LEU HB3 H 0.063 2.624 -5.100 1.00 . A A . 1 LEU HB3 1 1 9 4237 1 1 1 LEU HD11 H 1.807 4.140 -4.048 1.00 . A A . 1 LEU HD11 1 1 9 4238 1 1 1 LEU HD12 H 2.192 3.952 -2.342 1.00 . A A . 1 LEU HD12 1 1 9 4239 1 1 1 LEU HD13 H 0.671 4.695 -2.822 1.00 . A A . 1 LEU HD13 1 1 9 4240 1 1 1 LEU HD21 H -0.825 1.974 -1.752 1.00 . A A . 1 LEU HD21 1 1 9 4241 1 1 1 LEU HD22 H 0.299 3.139 -1.061 1.00 . A A . 1 LEU HD22 1 1 9 4242 1 1 1 LEU HD23 H 0.784 1.460 -1.263 1.00 . A A . 1 LEU HD23 1 1 9 4243 1 1 1 LEU HG H 1.494 1.851 -3.302 1.00 . A A . 1 LEU HG 1 1 9 4244 1 1 1 LEU N N -2.660 2.952 -4.902 1.00 . A A . 1 LEU N 1 1 9 4245 1 1 1 LEU O O -0.040 5.085 -4.886 1.00 . A A . 1 LEU O 1 1 9 4246 1 1 2 PHE C C -0.607 7.663 -3.841 1.00 . A A . 2 PHE C 1 1 9 4247 1 1 2 PHE CA C -1.805 7.181 -4.641 1.00 . A A . 2 PHE CA 1 1 9 4248 1 1 2 PHE CB C -3.027 8.065 -4.367 1.00 . A A . 2 PHE CB 1 1 9 4249 1 1 2 PHE CD1 C -4.907 6.465 -4.885 1.00 . A A . 2 PHE CD1 1 1 9 4250 1 1 2 PHE CD2 C -4.772 8.500 -6.120 1.00 . A A . 2 PHE CD2 1 1 9 4251 1 1 2 PHE CE1 C -6.038 6.107 -5.592 1.00 . A A . 2 PHE CE1 1 1 9 4252 1 1 2 PHE CE2 C -5.904 8.146 -6.830 1.00 . A A . 2 PHE CE2 1 1 9 4253 1 1 2 PHE CG C -4.258 7.666 -5.141 1.00 . A A . 2 PHE CG 1 1 9 4254 1 1 2 PHE CZ C -6.536 6.948 -6.566 1.00 . A A . 2 PHE CZ 1 1 9 4255 1 1 2 PHE H H -2.954 5.561 -3.922 1.00 . A A . 2 PHE H 1 1 9 4256 1 1 2 PHE HA H -1.563 7.217 -5.688 1.00 . A A . 2 PHE HA 1 1 9 4257 1 1 2 PHE HB2 H -3.267 8.015 -3.316 1.00 . A A . 2 PHE HB2 1 1 9 4258 1 1 2 PHE HB3 H -2.786 9.086 -4.626 1.00 . A A . 2 PHE HB3 1 1 9 4259 1 1 2 PHE HD1 H -4.523 5.806 -4.123 1.00 . A A . 2 PHE HD1 1 1 9 4260 1 1 2 PHE HD2 H -4.276 9.435 -6.330 1.00 . A A . 2 PHE HD2 1 1 9 4261 1 1 2 PHE HE1 H -6.531 5.170 -5.384 1.00 . A A . 2 PHE HE1 1 1 9 4262 1 1 2 PHE HE2 H -6.293 8.806 -7.591 1.00 . A A . 2 PHE HE2 1 1 9 4263 1 1 2 PHE HZ H -7.421 6.671 -7.121 1.00 . A A . 2 PHE HZ 1 1 9 4264 1 1 2 PHE N N -2.080 5.796 -4.291 1.00 . A A . 2 PHE N 1 1 9 4265 1 1 2 PHE O O 0.103 8.593 -4.227 1.00 . A A . 2 PHE O 1 1 9 4266 1 1 3 CYS C C 2.043 7.257 -2.566 1.00 . A A . 3 CYS C 1 1 9 4267 1 1 3 CYS CA C 0.705 7.308 -1.822 1.00 . A A . 3 CYS CA 1 1 9 4268 1 1 3 CYS CB C 0.714 6.326 -0.641 1.00 . A A . 3 CYS CB 1 1 9 4269 1 1 3 CYS H H -1.006 6.270 -2.486 1.00 . A A . 3 CYS H 1 1 9 4270 1 1 3 CYS HA H 0.554 8.308 -1.445 1.00 . A A . 3 CYS HA 1 1 9 4271 1 1 3 CYS HB2 H 0.977 5.345 -1.000 1.00 . A A . 3 CYS HB2 1 1 9 4272 1 1 3 CYS HB3 H 1.451 6.649 0.079 1.00 . A A . 3 CYS HB3 1 1 9 4273 1 1 3 CYS N N -0.396 6.999 -2.718 1.00 . A A . 3 CYS N 1 1 9 4274 1 1 3 CYS O O 2.992 7.949 -2.189 1.00 . A A . 3 CYS O 1 1 9 4275 1 1 3 CYS SG S -0.887 6.186 0.231 1.00 . A A . 3 CYS SG 1 1 9 4276 1 1 4 LYS C C 3.180 5.319 -5.578 1.00 . A A . 4 LYS C 1 1 9 4277 1 1 4 LYS CA C 3.343 6.311 -4.417 1.00 . A A . 4 LYS CA 1 1 9 4278 1 1 4 LYS CB C 4.505 5.877 -3.529 1.00 . A A . 4 LYS CB 1 1 9 4279 1 1 4 LYS CD C 6.046 7.192 -5.021 1.00 . A A . 4 LYS CD 1 1 9 4280 1 1 4 LYS CE C 7.432 7.257 -5.639 1.00 . A A . 4 LYS CE 1 1 9 4281 1 1 4 LYS CG C 5.843 5.901 -4.241 1.00 . A A . 4 LYS CG 1 1 9 4282 1 1 4 LYS H H 1.325 5.925 -3.886 1.00 . A A . 4 LYS H 1 1 9 4283 1 1 4 LYS HA H 3.572 7.282 -4.825 1.00 . A A . 4 LYS HA 1 1 9 4284 1 1 4 LYS HB2 H 4.564 6.535 -2.678 1.00 . A A . 4 LYS HB2 1 1 9 4285 1 1 4 LYS HB3 H 4.324 4.870 -3.183 1.00 . A A . 4 LYS HB3 1 1 9 4286 1 1 4 LYS HD2 H 5.313 7.243 -5.812 1.00 . A A . 4 LYS HD2 1 1 9 4287 1 1 4 LYS HD3 H 5.917 8.030 -4.354 1.00 . A A . 4 LYS HD3 1 1 9 4288 1 1 4 LYS HE2 H 8.166 7.185 -4.851 1.00 . A A . 4 LYS HE2 1 1 9 4289 1 1 4 LYS HE3 H 7.549 6.425 -6.316 1.00 . A A . 4 LYS HE3 1 1 9 4290 1 1 4 LYS HG2 H 6.614 5.822 -3.508 1.00 . A A . 4 LYS HG2 1 1 9 4291 1 1 4 LYS HG3 H 5.903 5.065 -4.920 1.00 . A A . 4 LYS HG3 1 1 9 4292 1 1 4 LYS HZ1 H 8.590 8.902 -6.182 1.00 . A A . 4 LYS HZ1 1 1 9 4293 1 1 4 LYS HZ2 H 6.936 9.228 -6.104 1.00 . A A . 4 LYS HZ2 1 1 9 4294 1 1 4 LYS HZ3 H 7.563 8.356 -7.405 1.00 . A A . 4 LYS HZ3 1 1 9 4295 1 1 4 LYS N N 2.115 6.442 -3.626 1.00 . A A . 4 LYS N 1 1 9 4296 1 1 4 LYS NZ N 7.646 8.522 -6.384 1.00 . A A . 4 LYS NZ 1 1 9 4297 1 1 4 LYS O O 4.023 4.450 -5.795 1.00 . A A . 4 LYS O 1 1 9 4298 1 1 5 GLY C C 2.167 3.150 -7.261 1.00 . A A . 5 GLY C 1 1 9 4299 1 1 5 GLY CA C 1.827 4.619 -7.474 1.00 . A A . 5 GLY CA 1 1 9 4300 1 1 5 GLY H H 1.481 6.196 -6.099 1.00 . A A . 5 GLY H 1 1 9 4301 1 1 5 GLY HA2 H 0.778 4.694 -7.714 1.00 . A A . 5 GLY HA2 1 1 9 4302 1 1 5 GLY HA3 H 2.398 4.988 -8.314 1.00 . A A . 5 GLY HA3 1 1 9 4303 1 1 5 GLY N N 2.101 5.473 -6.321 1.00 . A A . 5 GLY N 1 1 9 4304 1 1 5 GLY O O 2.640 2.476 -8.180 1.00 . A A . 5 GLY O 1 1 9 4305 1 1 6 GLY C C 0.946 0.387 -5.830 1.00 . A A . 6 GLY C 1 1 9 4306 1 1 6 GLY CA C 2.190 1.261 -5.739 1.00 . A A . 6 GLY CA 1 1 9 4307 1 1 6 GLY H H 1.537 3.242 -5.382 1.00 . A A . 6 GLY H 1 1 9 4308 1 1 6 GLY HA2 H 2.932 0.883 -6.424 1.00 . A A . 6 GLY HA2 1 1 9 4309 1 1 6 GLY HA3 H 2.582 1.207 -4.740 1.00 . A A . 6 GLY HA3 1 1 9 4310 1 1 6 GLY N N 1.918 2.655 -6.060 1.00 . A A . 6 GLY N 1 1 9 4311 1 1 6 GLY O O 0.367 0.236 -6.906 1.00 . A A . 6 GLY O 1 1 9 4312 1 1 7 SER C C -1.513 -0.706 -3.429 1.00 . A A . 7 SER C 1 1 9 4313 1 1 7 SER CA C -0.654 -1.037 -4.654 1.00 . A A . 7 SER CA 1 1 9 4314 1 1 7 SER CB C -0.233 -2.505 -4.633 1.00 . A A . 7 SER CB 1 1 9 4315 1 1 7 SER H H 1.024 -0.024 -3.868 1.00 . A A . 7 SER H 1 1 9 4316 1 1 7 SER HA H -1.235 -0.850 -5.544 1.00 . A A . 7 SER HA 1 1 9 4317 1 1 7 SER HB2 H 0.346 -2.698 -3.746 1.00 . A A . 7 SER HB2 1 1 9 4318 1 1 7 SER HB3 H -1.113 -3.132 -4.634 1.00 . A A . 7 SER HB3 1 1 9 4319 1 1 7 SER HG H 0.061 -2.577 -6.568 1.00 . A A . 7 SER HG 1 1 9 4320 1 1 7 SER N N 0.528 -0.182 -4.700 1.00 . A A . 7 SER N 1 1 9 4321 1 1 7 SER O O -1.134 0.112 -2.595 1.00 . A A . 7 SER O 1 1 9 4322 1 1 7 SER OG O 0.552 -2.817 -5.772 1.00 . A A . 7 SER OG 1 1 9 4323 1 1 8 CYS C C -4.138 -2.358 -1.670 1.00 . A A . 8 CYS C 1 1 9 4324 1 1 8 CYS CA C -3.572 -1.061 -2.214 1.00 . A A . 8 CYS CA 1 1 9 4325 1 1 8 CYS CB C -4.694 -0.130 -2.657 1.00 . A A . 8 CYS CB 1 1 9 4326 1 1 8 CYS H H -2.948 -1.953 -4.024 1.00 . A A . 8 CYS H 1 1 9 4327 1 1 8 CYS HA H -3.012 -0.579 -1.433 1.00 . A A . 8 CYS HA 1 1 9 4328 1 1 8 CYS HB2 H -5.279 -0.618 -3.417 1.00 . A A . 8 CYS HB2 1 1 9 4329 1 1 8 CYS HB3 H -5.325 0.092 -1.804 1.00 . A A . 8 CYS HB3 1 1 9 4330 1 1 8 CYS N N -2.675 -1.320 -3.328 1.00 . A A . 8 CYS N 1 1 9 4331 1 1 8 CYS O O -4.424 -3.282 -2.429 1.00 . A A . 8 CYS O 1 1 9 4332 1 1 8 CYS SG S -4.108 1.457 -3.337 1.00 . A A . 8 CYS SG 1 1 9 4333 1 1 9 HIS C C -6.236 -3.902 -0.087 1.00 . A A . 9 HIS C 1 1 9 4334 1 1 9 HIS CA C -4.794 -3.598 0.328 1.00 . A A . 9 HIS CA 1 1 9 4335 1 1 9 HIS CB C -4.693 -3.417 1.849 1.00 . A A . 9 HIS CB 1 1 9 4336 1 1 9 HIS CD2 C -2.320 -3.482 2.906 1.00 . A A . 9 HIS CD2 1 1 9 4337 1 1 9 HIS CE1 C -2.160 -5.643 3.215 1.00 . A A . 9 HIS CE1 1 1 9 4338 1 1 9 HIS CG C -3.470 -4.040 2.459 1.00 . A A . 9 HIS CG 1 1 9 4339 1 1 9 HIS H H -4.010 -1.643 0.188 1.00 . A A . 9 HIS H 1 1 9 4340 1 1 9 HIS HA H -4.178 -4.434 0.041 1.00 . A A . 9 HIS HA 1 1 9 4341 1 1 9 HIS HB2 H -4.668 -2.364 2.075 1.00 . A A . 9 HIS HB2 1 1 9 4342 1 1 9 HIS HB3 H -5.560 -3.858 2.319 1.00 . A A . 9 HIS HB3 1 1 9 4343 1 1 9 HIS HD1 H -3.995 -6.085 2.436 1.00 . A A . 9 HIS HD1 1 1 9 4344 1 1 9 HIS HD2 H -2.060 -2.434 2.870 1.00 . A A . 9 HIS HD2 1 1 9 4345 1 1 9 HIS HE1 H -1.782 -6.617 3.489 1.00 . A A . 9 HIS HE1 1 1 9 4346 1 1 9 HIS HE2 H -0.665 -4.390 3.827 1.00 . A A . 9 HIS HE2 1 1 9 4347 1 1 9 HIS N N -4.277 -2.418 -0.352 1.00 . A A . 9 HIS N 1 1 9 4348 1 1 9 HIS ND1 N -3.333 -5.399 2.664 1.00 . A A . 9 HIS ND1 1 1 9 4349 1 1 9 HIS NE2 N -1.528 -4.500 3.371 1.00 . A A . 9 HIS NE2 1 1 9 4350 1 1 9 HIS O O -7.162 -3.792 0.716 1.00 . A A . 9 HIS O 1 1 9 4351 1 1 10 PHE C C -8.050 -6.096 -1.395 1.00 . A A . 10 PHE C 1 1 9 4352 1 1 10 PHE CA C -7.729 -4.678 -1.845 1.00 . A A . 10 PHE CA 1 1 9 4353 1 1 10 PHE CB C -7.771 -4.589 -3.379 1.00 . A A . 10 PHE CB 1 1 9 4354 1 1 10 PHE CD1 C -7.360 -2.106 -3.512 1.00 . A A . 10 PHE CD1 1 1 9 4355 1 1 10 PHE CD2 C -9.092 -3.048 -4.851 1.00 . A A . 10 PHE CD2 1 1 9 4356 1 1 10 PHE CE1 C -7.650 -0.852 -4.019 1.00 . A A . 10 PHE CE1 1 1 9 4357 1 1 10 PHE CE2 C -9.385 -1.798 -5.361 1.00 . A A . 10 PHE CE2 1 1 9 4358 1 1 10 PHE CG C -8.078 -3.218 -3.921 1.00 . A A . 10 PHE CG 1 1 9 4359 1 1 10 PHE CZ C -8.663 -0.699 -4.945 1.00 . A A . 10 PHE CZ 1 1 9 4360 1 1 10 PHE H H -5.637 -4.414 -1.923 1.00 . A A . 10 PHE H 1 1 9 4361 1 1 10 PHE HA H -8.458 -3.999 -1.424 1.00 . A A . 10 PHE HA 1 1 9 4362 1 1 10 PHE HB2 H -6.811 -4.886 -3.772 1.00 . A A . 10 PHE HB2 1 1 9 4363 1 1 10 PHE HB3 H -8.525 -5.267 -3.749 1.00 . A A . 10 PHE HB3 1 1 9 4364 1 1 10 PHE HD1 H -6.567 -2.223 -2.789 1.00 . A A . 10 PHE HD1 1 1 9 4365 1 1 10 PHE HD2 H -9.660 -3.907 -5.178 1.00 . A A . 10 PHE HD2 1 1 9 4366 1 1 10 PHE HE1 H -7.086 0.009 -3.692 1.00 . A A . 10 PHE HE1 1 1 9 4367 1 1 10 PHE HE2 H -10.177 -1.680 -6.085 1.00 . A A . 10 PHE HE2 1 1 9 4368 1 1 10 PHE HZ H -8.889 0.280 -5.343 1.00 . A A . 10 PHE HZ 1 1 9 4369 1 1 10 PHE N N -6.416 -4.314 -1.334 1.00 . A A . 10 PHE N 1 1 9 4370 1 1 10 PHE O O -8.528 -6.923 -2.174 1.00 . A A . 10 PHE O 1 1 9 4371 1 1 11 GLY C C -6.964 -8.688 -0.110 1.00 . A A . 11 GLY C 1 1 9 4372 1 1 11 GLY CA C -7.985 -7.695 0.406 1.00 . A A . 11 GLY CA 1 1 9 4373 1 1 11 GLY H H -7.359 -5.679 0.433 1.00 . A A . 11 GLY H 1 1 9 4374 1 1 11 GLY HA2 H -7.926 -7.651 1.484 1.00 . A A . 11 GLY HA2 1 1 9 4375 1 1 11 GLY HA3 H -8.972 -8.027 0.122 1.00 . A A . 11 GLY HA3 1 1 9 4376 1 1 11 GLY N N -7.757 -6.376 -0.135 1.00 . A A . 11 GLY N 1 1 9 4377 1 1 11 GLY O O -7.279 -9.860 -0.325 1.00 . A A . 11 GLY O 1 1 9 4378 1 1 12 GLY C C -3.554 -8.334 -1.495 1.00 . A A . 12 GLY C 1 1 9 4379 1 1 12 GLY CA C -4.684 -9.087 -0.810 1.00 . A A . 12 GLY CA 1 1 9 4380 1 1 12 GLY H H -5.544 -7.273 -0.131 1.00 . A A . 12 GLY H 1 1 9 4381 1 1 12 GLY HA2 H -4.276 -9.644 0.019 1.00 . A A . 12 GLY HA2 1 1 9 4382 1 1 12 GLY HA3 H -5.113 -9.782 -1.516 1.00 . A A . 12 GLY HA3 1 1 9 4383 1 1 12 GLY N N -5.735 -8.218 -0.315 1.00 . A A . 12 GLY N 1 1 9 4384 1 1 12 GLY O O -3.381 -8.448 -2.708 1.00 . A A . 12 GLY O 1 1 9 4385 1 1 13 CYS C C -0.702 -7.782 -2.025 1.00 . A A . 13 CYS C 1 1 9 4386 1 1 13 CYS CA C -1.660 -6.823 -1.312 1.00 . A A . 13 CYS CA 1 1 9 4387 1 1 13 CYS CB C -0.902 -6.027 -0.237 1.00 . A A . 13 CYS CB 1 1 9 4388 1 1 13 CYS H H -2.948 -7.513 0.227 1.00 . A A . 13 CYS H 1 1 9 4389 1 1 13 CYS HA H -2.067 -6.134 -2.038 1.00 . A A . 13 CYS HA 1 1 9 4390 1 1 13 CYS HB2 H -0.721 -6.669 0.612 1.00 . A A . 13 CYS HB2 1 1 9 4391 1 1 13 CYS HB3 H 0.044 -5.702 -0.640 1.00 . A A . 13 CYS HB3 1 1 9 4392 1 1 13 CYS N N -2.777 -7.569 -0.735 1.00 . A A . 13 CYS N 1 1 9 4393 1 1 13 CYS O O -0.429 -8.876 -1.530 1.00 . A A . 13 CYS O 1 1 9 4394 1 1 13 CYS SG S -1.785 -4.547 0.374 1.00 . A A . 13 CYS SG 1 1 9 4395 1 1 14 PRO C C 1.689 -9.042 -3.181 1.00 . A A . 14 PRO C 1 1 9 4396 1 1 14 PRO CA C 0.710 -8.208 -4.011 1.00 . A A . 14 PRO CA 1 1 9 4397 1 1 14 PRO CB C 1.454 -7.156 -4.826 1.00 . A A . 14 PRO CB 1 1 9 4398 1 1 14 PRO CD C -0.507 -6.115 -3.882 1.00 . A A . 14 PRO CD 1 1 9 4399 1 1 14 PRO CG C 0.442 -6.085 -5.059 1.00 . A A . 14 PRO CG 1 1 9 4400 1 1 14 PRO HA H 0.168 -8.859 -4.679 1.00 . A A . 14 PRO HA 1 1 9 4401 1 1 14 PRO HB2 H 2.300 -6.789 -4.260 1.00 . A A . 14 PRO HB2 1 1 9 4402 1 1 14 PRO HB3 H 1.795 -7.587 -5.755 1.00 . A A . 14 PRO HB3 1 1 9 4403 1 1 14 PRO HD2 H -0.323 -5.279 -3.226 1.00 . A A . 14 PRO HD2 1 1 9 4404 1 1 14 PRO HD3 H -1.531 -6.102 -4.226 1.00 . A A . 14 PRO HD3 1 1 9 4405 1 1 14 PRO HG2 H 0.935 -5.125 -5.116 1.00 . A A . 14 PRO HG2 1 1 9 4406 1 1 14 PRO HG3 H -0.093 -6.284 -5.975 1.00 . A A . 14 PRO HG3 1 1 9 4407 1 1 14 PRO N N -0.200 -7.392 -3.207 1.00 . A A . 14 PRO N 1 1 9 4408 1 1 14 PRO O O 2.042 -10.157 -3.567 1.00 . A A . 14 PRO O 1 1 9 4409 1 1 15 SER C C 3.221 -8.476 0.142 1.00 . A A . 15 SER C 1 1 9 4410 1 1 15 SER CA C 3.058 -9.218 -1.184 1.00 . A A . 15 SER CA 1 1 9 4411 1 1 15 SER CB C 4.414 -9.369 -1.886 1.00 . A A . 15 SER CB 1 1 9 4412 1 1 15 SER H H 1.812 -7.621 -1.786 1.00 . A A . 15 SER H 1 1 9 4413 1 1 15 SER HA H 2.651 -10.199 -0.987 1.00 . A A . 15 SER HA 1 1 9 4414 1 1 15 SER HB2 H 4.267 -9.822 -2.854 1.00 . A A . 15 SER HB2 1 1 9 4415 1 1 15 SER HB3 H 4.860 -8.393 -2.011 1.00 . A A . 15 SER HB3 1 1 9 4416 1 1 15 SER HG H 5.279 -11.081 -1.489 1.00 . A A . 15 SER HG 1 1 9 4417 1 1 15 SER N N 2.126 -8.508 -2.049 1.00 . A A . 15 SER N 1 1 9 4418 1 1 15 SER O O 2.284 -7.828 0.611 1.00 . A A . 15 SER O 1 1 9 4419 1 1 15 SER OG O 5.300 -10.182 -1.134 1.00 . A A . 15 SER OG 1 1 9 4420 1 1 16 HIS C C 4.891 -6.410 1.792 1.00 . A A . 16 HIS C 1 1 9 4421 1 1 16 HIS CA C 4.713 -7.910 2.000 1.00 . A A . 16 HIS CA 1 1 9 4422 1 1 16 HIS CB C 5.979 -8.510 2.626 1.00 . A A . 16 HIS CB 1 1 9 4423 1 1 16 HIS CD2 C 5.806 -6.869 4.639 1.00 . A A . 16 HIS CD2 1 1 9 4424 1 1 16 HIS CE1 C 7.560 -7.548 5.754 1.00 . A A . 16 HIS CE1 1 1 9 4425 1 1 16 HIS CG C 6.370 -7.879 3.932 1.00 . A A . 16 HIS CG 1 1 9 4426 1 1 16 HIS H H 5.111 -9.101 0.298 1.00 . A A . 16 HIS H 1 1 9 4427 1 1 16 HIS HA H 3.879 -8.072 2.666 1.00 . A A . 16 HIS HA 1 1 9 4428 1 1 16 HIS HB2 H 5.819 -9.563 2.803 1.00 . A A . 16 HIS HB2 1 1 9 4429 1 1 16 HIS HB3 H 6.802 -8.388 1.939 1.00 . A A . 16 HIS HB3 1 1 9 4430 1 1 16 HIS HD1 H 8.087 -9.005 4.418 1.00 . A A . 16 HIS HD1 1 1 9 4431 1 1 16 HIS HD2 H 4.919 -6.315 4.367 1.00 . A A . 16 HIS HD2 1 1 9 4432 1 1 16 HIS HE1 H 8.318 -7.646 6.515 1.00 . A A . 16 HIS HE1 1 1 9 4433 1 1 16 HIS HE2 H 6.527 -5.886 6.343 1.00 . A A . 16 HIS HE2 1 1 9 4434 1 1 16 HIS N N 4.410 -8.570 0.731 1.00 . A A . 16 HIS N 1 1 9 4435 1 1 16 HIS ND1 N 7.467 -8.280 4.661 1.00 . A A . 16 HIS ND1 1 1 9 4436 1 1 16 HIS NE2 N 6.566 -6.680 5.765 1.00 . A A . 16 HIS NE2 1 1 9 4437 1 1 16 HIS O O 5.918 -5.835 2.154 1.00 . A A . 16 HIS O 1 1 9 4438 1 1 17 LEU C C 3.702 -3.588 2.247 1.00 . A A . 17 LEU C 1 1 9 4439 1 1 17 LEU CA C 3.922 -4.358 0.953 1.00 . A A . 17 LEU CA 1 1 9 4440 1 1 17 LEU CB C 2.838 -3.979 -0.050 1.00 . A A . 17 LEU CB 1 1 9 4441 1 1 17 LEU CD1 C 1.733 -4.258 -2.266 1.00 . A A . 17 LEU CD1 1 1 9 4442 1 1 17 LEU CD2 C 4.100 -5.012 -1.971 1.00 . A A . 17 LEU CD2 1 1 9 4443 1 1 17 LEU CG C 2.743 -4.850 -1.300 1.00 . A A . 17 LEU CG 1 1 9 4444 1 1 17 LEU H H 3.092 -6.294 0.949 1.00 . A A . 17 LEU H 1 1 9 4445 1 1 17 LEU HA H 4.891 -4.106 0.547 1.00 . A A . 17 LEU HA 1 1 9 4446 1 1 17 LEU HB2 H 1.890 -4.033 0.456 1.00 . A A . 17 LEU HB2 1 1 9 4447 1 1 17 LEU HB3 H 3.004 -2.962 -0.359 1.00 . A A . 17 LEU HB3 1 1 9 4448 1 1 17 LEU HD11 H 1.635 -4.903 -3.123 1.00 . A A . 17 LEU HD11 1 1 9 4449 1 1 17 LEU HD12 H 2.070 -3.284 -2.586 1.00 . A A . 17 LEU HD12 1 1 9 4450 1 1 17 LEU HD13 H 0.777 -4.162 -1.772 1.00 . A A . 17 LEU HD13 1 1 9 4451 1 1 17 LEU HD21 H 4.333 -4.119 -2.528 1.00 . A A . 17 LEU HD21 1 1 9 4452 1 1 17 LEU HD22 H 4.067 -5.857 -2.643 1.00 . A A . 17 LEU HD22 1 1 9 4453 1 1 17 LEU HD23 H 4.857 -5.180 -1.221 1.00 . A A . 17 LEU HD23 1 1 9 4454 1 1 17 LEU HG H 2.390 -5.828 -1.014 1.00 . A A . 17 LEU HG 1 1 9 4455 1 1 17 LEU N N 3.887 -5.785 1.209 1.00 . A A . 17 LEU N 1 1 9 4456 1 1 17 LEU O O 2.745 -3.855 2.977 1.00 . A A . 17 LEU O 1 1 9 4457 1 1 18 ILE C C 3.292 -0.836 3.586 1.00 . A A . 18 ILE C 1 1 9 4458 1 1 18 ILE CA C 4.438 -1.826 3.731 1.00 . A A . 18 ILE CA 1 1 9 4459 1 1 18 ILE CB C 5.736 -1.054 4.057 1.00 . A A . 18 ILE CB 1 1 9 4460 1 1 18 ILE CD1 C 7.442 0.585 3.111 1.00 . A A . 18 ILE CD1 1 1 9 4461 1 1 18 ILE CG1 C 6.206 -0.246 2.843 1.00 . A A . 18 ILE CG1 1 1 9 4462 1 1 18 ILE CG2 C 6.823 -2.013 4.526 1.00 . A A . 18 ILE CG2 1 1 9 4463 1 1 18 ILE H H 5.302 -2.451 1.902 1.00 . A A . 18 ILE H 1 1 9 4464 1 1 18 ILE HA H 4.222 -2.492 4.555 1.00 . A A . 18 ILE HA 1 1 9 4465 1 1 18 ILE HB H 5.523 -0.374 4.868 1.00 . A A . 18 ILE HB 1 1 9 4466 1 1 18 ILE HD11 H 7.798 1.007 2.184 1.00 . A A . 18 ILE HD11 1 1 9 4467 1 1 18 ILE HD12 H 8.212 -0.039 3.540 1.00 . A A . 18 ILE HD12 1 1 9 4468 1 1 18 ILE HD13 H 7.199 1.381 3.798 1.00 . A A . 18 ILE HD13 1 1 9 4469 1 1 18 ILE HG12 H 6.434 -0.922 2.033 1.00 . A A . 18 ILE HG12 1 1 9 4470 1 1 18 ILE HG13 H 5.417 0.424 2.535 1.00 . A A . 18 ILE HG13 1 1 9 4471 1 1 18 ILE HG21 H 7.049 -1.819 5.563 1.00 . A A . 18 ILE HG21 1 1 9 4472 1 1 18 ILE HG22 H 7.713 -1.868 3.932 1.00 . A A . 18 ILE HG22 1 1 9 4473 1 1 18 ILE HG23 H 6.479 -3.031 4.417 1.00 . A A . 18 ILE HG23 1 1 9 4474 1 1 18 ILE N N 4.568 -2.631 2.526 1.00 . A A . 18 ILE N 1 1 9 4475 1 1 18 ILE O O 3.131 -0.209 2.535 1.00 . A A . 18 ILE O 1 1 9 4476 1 1 19 LYS C C 1.897 1.659 4.603 1.00 . A A . 19 LYS C 1 1 9 4477 1 1 19 LYS CA C 1.380 0.233 4.610 1.00 . A A . 19 LYS CA 1 1 9 4478 1 1 19 LYS CB C 0.445 0.028 5.800 1.00 . A A . 19 LYS CB 1 1 9 4479 1 1 19 LYS CD C -1.673 0.793 6.939 1.00 . A A . 19 LYS CD 1 1 9 4480 1 1 19 LYS CE C -1.196 1.045 8.364 1.00 . A A . 19 LYS CE 1 1 9 4481 1 1 19 LYS CG C -0.610 1.118 5.906 1.00 . A A . 19 LYS CG 1 1 9 4482 1 1 19 LYS H H 2.670 -1.217 5.451 1.00 . A A . 19 LYS H 1 1 9 4483 1 1 19 LYS HA H 0.829 0.059 3.697 1.00 . A A . 19 LYS HA 1 1 9 4484 1 1 19 LYS HB2 H -0.056 -0.923 5.694 1.00 . A A . 19 LYS HB2 1 1 9 4485 1 1 19 LYS HB3 H 1.028 0.025 6.707 1.00 . A A . 19 LYS HB3 1 1 9 4486 1 1 19 LYS HD2 H -2.534 1.414 6.746 1.00 . A A . 19 LYS HD2 1 1 9 4487 1 1 19 LYS HD3 H -1.948 -0.245 6.837 1.00 . A A . 19 LYS HD3 1 1 9 4488 1 1 19 LYS HE2 H -0.975 2.095 8.473 1.00 . A A . 19 LYS HE2 1 1 9 4489 1 1 19 LYS HE3 H -1.990 0.778 9.045 1.00 . A A . 19 LYS HE3 1 1 9 4490 1 1 19 LYS HG2 H -0.129 2.043 6.188 1.00 . A A . 19 LYS HG2 1 1 9 4491 1 1 19 LYS HG3 H -1.081 1.240 4.943 1.00 . A A . 19 LYS HG3 1 1 9 4492 1 1 19 LYS HZ1 H 0.878 0.800 8.481 1.00 . A A . 19 LYS HZ1 1 1 9 4493 1 1 19 LYS HZ2 H 0.035 -0.634 8.176 1.00 . A A . 19 LYS HZ2 1 1 9 4494 1 1 19 LYS HZ3 H 0.026 0.037 9.722 1.00 . A A . 19 LYS HZ3 1 1 9 4495 1 1 19 LYS N N 2.496 -0.693 4.638 1.00 . A A . 19 LYS N 1 1 9 4496 1 1 19 LYS NZ N 0.019 0.257 8.708 1.00 . A A . 19 LYS NZ 1 1 9 4497 1 1 19 LYS O O 2.128 2.255 5.654 1.00 . A A . 19 LYS O 1 1 9 4498 1 1 20 VAL C C 1.506 4.566 3.614 1.00 . A A . 20 VAL C 1 1 9 4499 1 1 20 VAL CA C 2.588 3.545 3.269 1.00 . A A . 20 VAL CA 1 1 9 4500 1 1 20 VAL CB C 3.128 3.791 1.845 1.00 . A A . 20 VAL CB 1 1 9 4501 1 1 20 VAL CG1 C 2.037 3.606 0.805 1.00 . A A . 20 VAL CG1 1 1 9 4502 1 1 20 VAL CG2 C 3.754 5.173 1.731 1.00 . A A . 20 VAL CG2 1 1 9 4503 1 1 20 VAL H H 1.891 1.659 2.618 1.00 . A A . 20 VAL H 1 1 9 4504 1 1 20 VAL HA H 3.408 3.668 3.963 1.00 . A A . 20 VAL HA 1 1 9 4505 1 1 20 VAL HB H 3.896 3.060 1.654 1.00 . A A . 20 VAL HB 1 1 9 4506 1 1 20 VAL HG11 H 2.482 3.546 -0.176 1.00 . A A . 20 VAL HG11 1 1 9 4507 1 1 20 VAL HG12 H 1.364 4.446 0.843 1.00 . A A . 20 VAL HG12 1 1 9 4508 1 1 20 VAL HG13 H 1.492 2.698 1.010 1.00 . A A . 20 VAL HG13 1 1 9 4509 1 1 20 VAL HG21 H 2.977 5.922 1.732 1.00 . A A . 20 VAL HG21 1 1 9 4510 1 1 20 VAL HG22 H 4.316 5.238 0.811 1.00 . A A . 20 VAL HG22 1 1 9 4511 1 1 20 VAL HG23 H 4.415 5.338 2.568 1.00 . A A . 20 VAL HG23 1 1 9 4512 1 1 20 VAL N N 2.087 2.193 3.418 1.00 . A A . 20 VAL N 1 1 9 4513 1 1 20 VAL O O 1.808 5.717 3.941 1.00 . A A . 20 VAL O 1 1 9 4514 1 1 21 GLY C C -2.209 4.411 3.634 1.00 . A A . 21 GLY C 1 1 9 4515 1 1 21 GLY CA C -0.848 5.039 3.862 1.00 . A A . 21 GLY CA 1 1 9 4516 1 1 21 GLY H H 0.059 3.212 3.291 1.00 . A A . 21 GLY H 1 1 9 4517 1 1 21 GLY HA2 H -0.772 5.330 4.898 1.00 . A A . 21 GLY HA2 1 1 9 4518 1 1 21 GLY HA3 H -0.764 5.921 3.245 1.00 . A A . 21 GLY HA3 1 1 9 4519 1 1 21 GLY N N 0.247 4.142 3.549 1.00 . A A . 21 GLY N 1 1 9 4520 1 1 21 GLY O O -2.421 3.234 3.938 1.00 . A A . 21 GLY O 1 1 9 4521 1 1 22 SER C C -4.861 4.953 1.374 1.00 . A A . 22 SER C 1 1 9 4522 1 1 22 SER CA C -4.482 4.727 2.832 1.00 . A A . 22 SER CA 1 1 9 4523 1 1 22 SER CB C -5.466 5.446 3.753 1.00 . A A . 22 SER CB 1 1 9 4524 1 1 22 SER H H -2.898 6.122 2.878 1.00 . A A . 22 SER H 1 1 9 4525 1 1 22 SER HA H -4.519 3.669 3.036 1.00 . A A . 22 SER HA 1 1 9 4526 1 1 22 SER HB2 H -5.578 6.467 3.428 1.00 . A A . 22 SER HB2 1 1 9 4527 1 1 22 SER HB3 H -6.424 4.948 3.714 1.00 . A A . 22 SER HB3 1 1 9 4528 1 1 22 SER HG H -4.815 4.523 5.360 1.00 . A A . 22 SER HG 1 1 9 4529 1 1 22 SER N N -3.132 5.194 3.098 1.00 . A A . 22 SER N 1 1 9 4530 1 1 22 SER O O -4.505 5.966 0.773 1.00 . A A . 22 SER O 1 1 9 4531 1 1 22 SER OG O -4.999 5.436 5.096 1.00 . A A . 22 SER OG 1 1 9 4532 1 1 23 CYS C C -7.457 4.491 -0.654 1.00 . A A . 23 CYS C 1 1 9 4533 1 1 23 CYS CA C -6.004 4.048 -0.576 1.00 . A A . 23 CYS CA 1 1 9 4534 1 1 23 CYS CB C -5.858 2.672 -1.221 1.00 . A A . 23 CYS CB 1 1 9 4535 1 1 23 CYS H H -5.811 3.208 1.353 1.00 . A A . 23 CYS H 1 1 9 4536 1 1 23 CYS HA H -5.382 4.755 -1.099 1.00 . A A . 23 CYS HA 1 1 9 4537 1 1 23 CYS HB2 H -4.987 2.182 -0.814 1.00 . A A . 23 CYS HB2 1 1 9 4538 1 1 23 CYS HB3 H -6.737 2.079 -0.994 1.00 . A A . 23 CYS HB3 1 1 9 4539 1 1 23 CYS N N -5.571 3.988 0.813 1.00 . A A . 23 CYS N 1 1 9 4540 1 1 23 CYS O O -7.837 5.305 -1.498 1.00 . A A . 23 CYS O 1 1 9 4541 1 1 23 CYS SG S -5.676 2.704 -3.030 1.00 . A A . 23 CYS SG 1 1 9 4542 1 1 24 PHE C C -10.192 3.698 1.649 1.00 . A A . 24 PHE C 1 1 9 4543 1 1 24 PHE CA C -9.678 4.210 0.319 1.00 . A A . 24 PHE CA 1 1 9 4544 1 1 24 PHE CB C -10.429 3.544 -0.834 1.00 . A A . 24 PHE CB 1 1 9 4545 1 1 24 PHE CD1 C -12.456 5.017 -0.689 1.00 . A A . 24 PHE CD1 1 1 9 4546 1 1 24 PHE CD2 C -12.778 2.655 -0.791 1.00 . A A . 24 PHE CD2 1 1 9 4547 1 1 24 PHE CE1 C -13.823 5.203 -0.623 1.00 . A A . 24 PHE CE1 1 1 9 4548 1 1 24 PHE CE2 C -14.145 2.837 -0.727 1.00 . A A . 24 PHE CE2 1 1 9 4549 1 1 24 PHE CG C -11.917 3.742 -0.774 1.00 . A A . 24 PHE CG 1 1 9 4550 1 1 24 PHE CZ C -14.668 4.112 -0.642 1.00 . A A . 24 PHE CZ 1 1 9 4551 1 1 24 PHE H H -7.872 3.285 0.869 1.00 . A A . 24 PHE H 1 1 9 4552 1 1 24 PHE HA H -9.815 5.281 0.271 1.00 . A A . 24 PHE HA 1 1 9 4553 1 1 24 PHE HB2 H -10.076 3.958 -1.761 1.00 . A A . 24 PHE HB2 1 1 9 4554 1 1 24 PHE HB3 H -10.230 2.482 -0.820 1.00 . A A . 24 PHE HB3 1 1 9 4555 1 1 24 PHE HD1 H -11.797 5.871 -0.678 1.00 . A A . 24 PHE HD1 1 1 9 4556 1 1 24 PHE HD2 H -12.370 1.657 -0.856 1.00 . A A . 24 PHE HD2 1 1 9 4557 1 1 24 PHE HE1 H -14.230 6.200 -0.557 1.00 . A A . 24 PHE HE1 1 1 9 4558 1 1 24 PHE HE2 H -14.805 1.982 -0.741 1.00 . A A . 24 PHE HE2 1 1 9 4559 1 1 24 PHE HZ H -15.735 4.256 -0.591 1.00 . A A . 24 PHE HZ 1 1 9 4560 1 1 24 PHE N N -8.255 3.927 0.238 1.00 . A A . 24 PHE N 1 1 9 4561 1 1 24 PHE O O -11.004 2.772 1.715 1.00 . A A . 24 PHE O 1 1 9 4562 1 1 25 GLY C C -9.456 2.498 4.352 1.00 . A A . 25 GLY C 1 1 9 4563 1 1 25 GLY CA C -10.039 3.858 4.039 1.00 . A A . 25 GLY CA 1 1 9 4564 1 1 25 GLY H H -9.001 4.984 2.586 1.00 . A A . 25 GLY H 1 1 9 4565 1 1 25 GLY HA2 H -9.667 4.577 4.754 1.00 . A A . 25 GLY HA2 1 1 9 4566 1 1 25 GLY HA3 H -11.114 3.807 4.113 1.00 . A A . 25 GLY HA3 1 1 9 4567 1 1 25 GLY N N -9.669 4.279 2.710 1.00 . A A . 25 GLY N 1 1 9 4568 1 1 25 GLY O O -8.238 2.316 4.289 1.00 . A A . 25 GLY O 1 1 9 4569 1 1 26 PHE C C -8.711 -0.234 4.099 1.00 . A A . 26 PHE C 1 1 9 4570 1 1 26 PHE CA C -9.880 0.189 4.984 1.00 . A A . 26 PHE CA 1 1 9 4571 1 1 26 PHE CB C -11.038 -0.796 4.814 1.00 . A A . 26 PHE CB 1 1 9 4572 1 1 26 PHE CD1 C -9.741 -2.640 5.929 1.00 . A A . 26 PHE CD1 1 1 9 4573 1 1 26 PHE CD2 C -11.117 -3.191 4.060 1.00 . A A . 26 PHE CD2 1 1 9 4574 1 1 26 PHE CE1 C -9.355 -3.962 6.037 1.00 . A A . 26 PHE CE1 1 1 9 4575 1 1 26 PHE CE2 C -10.735 -4.515 4.166 1.00 . A A . 26 PHE CE2 1 1 9 4576 1 1 26 PHE CG C -10.626 -2.239 4.939 1.00 . A A . 26 PHE CG 1 1 9 4577 1 1 26 PHE CZ C -9.853 -4.901 5.156 1.00 . A A . 26 PHE CZ 1 1 9 4578 1 1 26 PHE H H -11.273 1.753 4.692 1.00 . A A . 26 PHE H 1 1 9 4579 1 1 26 PHE HA H -9.560 0.179 6.013 1.00 . A A . 26 PHE HA 1 1 9 4580 1 1 26 PHE HB2 H -11.784 -0.598 5.568 1.00 . A A . 26 PHE HB2 1 1 9 4581 1 1 26 PHE HB3 H -11.478 -0.658 3.837 1.00 . A A . 26 PHE HB3 1 1 9 4582 1 1 26 PHE HD1 H -9.354 -1.909 6.620 1.00 . A A . 26 PHE HD1 1 1 9 4583 1 1 26 PHE HD2 H -11.807 -2.892 3.284 1.00 . A A . 26 PHE HD2 1 1 9 4584 1 1 26 PHE HE1 H -8.665 -4.260 6.812 1.00 . A A . 26 PHE HE1 1 1 9 4585 1 1 26 PHE HE2 H -11.126 -5.248 3.476 1.00 . A A . 26 PHE HE2 1 1 9 4586 1 1 26 PHE HZ H -9.552 -5.934 5.240 1.00 . A A . 26 PHE HZ 1 1 9 4587 1 1 26 PHE N N -10.316 1.543 4.669 1.00 . A A . 26 PHE N 1 1 9 4588 1 1 26 PHE O O -7.718 -0.781 4.585 1.00 . A A . 26 PHE O 1 1 9 4589 1 1 27 ARG C C -6.524 0.473 2.093 1.00 . A A . 27 ARG C 1 1 9 4590 1 1 27 ARG CA C -7.775 -0.350 1.863 1.00 . A A . 27 ARG CA 1 1 9 4591 1 1 27 ARG CB C -8.211 -0.167 0.414 1.00 . A A . 27 ARG CB 1 1 9 4592 1 1 27 ARG CD C -9.486 -1.121 -1.486 1.00 . A A . 27 ARG CD 1 1 9 4593 1 1 27 ARG CG C -9.414 -0.980 0.021 1.00 . A A . 27 ARG CG 1 1 9 4594 1 1 27 ARG CZ C -11.598 -2.385 -1.602 1.00 . A A . 27 ARG CZ 1 1 9 4595 1 1 27 ARG H H -9.640 0.454 2.469 1.00 . A A . 27 ARG H 1 1 9 4596 1 1 27 ARG HA H -7.538 -1.391 2.025 1.00 . A A . 27 ARG HA 1 1 9 4597 1 1 27 ARG HB2 H -8.441 0.876 0.248 1.00 . A A . 27 ARG HB2 1 1 9 4598 1 1 27 ARG HB3 H -7.392 -0.451 -0.231 1.00 . A A . 27 ARG HB3 1 1 9 4599 1 1 27 ARG HD2 H -9.088 -0.225 -1.940 1.00 . A A . 27 ARG HD2 1 1 9 4600 1 1 27 ARG HD3 H -8.881 -1.965 -1.776 1.00 . A A . 27 ARG HD3 1 1 9 4601 1 1 27 ARG HE H -11.231 -0.647 -2.543 1.00 . A A . 27 ARG HE 1 1 9 4602 1 1 27 ARG HG2 H -9.333 -1.959 0.464 1.00 . A A . 27 ARG HG2 1 1 9 4603 1 1 27 ARG HG3 H -10.307 -0.488 0.375 1.00 . A A . 27 ARG HG3 1 1 9 4604 1 1 27 ARG HH11 H -10.163 -3.266 -0.477 1.00 . A A . 27 ARG HH11 1 1 9 4605 1 1 27 ARG HH12 H -11.666 -4.118 -0.551 1.00 . A A . 27 ARG HH12 1 1 9 4606 1 1 27 ARG HH21 H -13.227 -1.779 -2.640 1.00 . A A . 27 ARG HH21 1 1 9 4607 1 1 27 ARG HH22 H -13.411 -3.271 -1.774 1.00 . A A . 27 ARG HH22 1 1 9 4608 1 1 27 ARG N N -8.828 0.015 2.800 1.00 . A A . 27 ARG N 1 1 9 4609 1 1 27 ARG NE N -10.850 -1.336 -1.949 1.00 . A A . 27 ARG NE 1 1 9 4610 1 1 27 ARG NH1 N -11.100 -3.331 -0.815 1.00 . A A . 27 ARG NH1 1 1 9 4611 1 1 27 ARG NH2 N -12.843 -2.487 -2.043 1.00 . A A . 27 ARG NH2 1 1 9 4612 1 1 27 ARG O O -6.278 1.455 1.385 1.00 . A A . 27 ARG O 1 1 9 4613 1 1 28 SER C C -3.619 0.730 2.082 1.00 . A A . 28 SER C 1 1 9 4614 1 1 28 SER CA C -4.492 0.771 3.331 1.00 . A A . 28 SER CA 1 1 9 4615 1 1 28 SER CB C -3.778 0.124 4.513 1.00 . A A . 28 SER CB 1 1 9 4616 1 1 28 SER H H -5.957 -0.726 3.581 1.00 . A A . 28 SER H 1 1 9 4617 1 1 28 SER HA H -4.731 1.795 3.569 1.00 . A A . 28 SER HA 1 1 9 4618 1 1 28 SER HB2 H -3.459 -0.872 4.241 1.00 . A A . 28 SER HB2 1 1 9 4619 1 1 28 SER HB3 H -2.919 0.717 4.777 1.00 . A A . 28 SER HB3 1 1 9 4620 1 1 28 SER HG H -4.854 0.931 5.940 1.00 . A A . 28 SER HG 1 1 9 4621 1 1 28 SER N N -5.724 0.070 3.056 1.00 . A A . 28 SER N 1 1 9 4622 1 1 28 SER O O -3.450 -0.332 1.475 1.00 . A A . 28 SER O 1 1 9 4623 1 1 28 SER OG O -4.640 0.040 5.635 1.00 . A A . 28 SER OG 1 1 9 4624 1 1 29 CYS C C -0.944 1.152 0.822 1.00 . A A . 29 CYS C 1 1 9 4625 1 1 29 CYS CA C -2.235 1.909 0.502 1.00 . A A . 29 CYS CA 1 1 9 4626 1 1 29 CYS CB C -2.001 3.364 0.055 1.00 . A A . 29 CYS CB 1 1 9 4627 1 1 29 CYS H H -3.236 2.690 2.194 1.00 . A A . 29 CYS H 1 1 9 4628 1 1 29 CYS HA H -2.755 1.378 -0.285 1.00 . A A . 29 CYS HA 1 1 9 4629 1 1 29 CYS HB2 H -1.620 3.373 -0.947 1.00 . A A . 29 CYS HB2 1 1 9 4630 1 1 29 CYS HB3 H -2.952 3.877 0.063 1.00 . A A . 29 CYS HB3 1 1 9 4631 1 1 29 CYS N N -3.076 1.869 1.683 1.00 . A A . 29 CYS N 1 1 9 4632 1 1 29 CYS O O -0.288 1.433 1.828 1.00 . A A . 29 CYS O 1 1 9 4633 1 1 29 CYS SG S -0.858 4.336 1.083 1.00 . A A . 29 CYS SG 1 1 9 4634 1 1 30 CYS C C 1.444 -0.835 -0.963 1.00 . A A . 30 CYS C 1 1 9 4635 1 1 30 CYS CA C 0.536 -0.702 0.260 1.00 . A A . 30 CYS CA 1 1 9 4636 1 1 30 CYS CB C 0.042 -2.088 0.696 1.00 . A A . 30 CYS CB 1 1 9 4637 1 1 30 CYS H H -1.211 -0.069 -0.747 1.00 . A A . 30 CYS H 1 1 9 4638 1 1 30 CYS HA H 1.103 -0.271 1.068 1.00 . A A . 30 CYS HA 1 1 9 4639 1 1 30 CYS HB2 H 0.886 -2.695 0.966 1.00 . A A . 30 CYS HB2 1 1 9 4640 1 1 30 CYS HB3 H -0.599 -1.975 1.557 1.00 . A A . 30 CYS HB3 1 1 9 4641 1 1 30 CYS N N -0.626 0.144 0.010 1.00 . A A . 30 CYS N 1 1 9 4642 1 1 30 CYS O O 0.978 -0.997 -2.089 1.00 . A A . 30 CYS O 1 1 9 4643 1 1 30 CYS SG S -0.912 -2.979 -0.591 1.00 . A A . 30 CYS SG 1 1 9 4644 1 1 31 LYS C C 4.989 -1.611 -1.237 1.00 . A A . 31 LYS C 1 1 9 4645 1 1 31 LYS CA C 3.737 -0.940 -1.783 1.00 . A A . 31 LYS CA 1 1 9 4646 1 1 31 LYS CB C 4.066 0.396 -2.457 1.00 . A A . 31 LYS CB 1 1 9 4647 1 1 31 LYS CD C 4.968 1.760 -0.527 1.00 . A A . 31 LYS CD 1 1 9 4648 1 1 31 LYS CE C 6.353 1.870 -1.154 1.00 . A A . 31 LYS CE 1 1 9 4649 1 1 31 LYS CG C 3.881 1.629 -1.586 1.00 . A A . 31 LYS CG 1 1 9 4650 1 1 31 LYS H H 3.063 -0.680 0.199 1.00 . A A . 31 LYS H 1 1 9 4651 1 1 31 LYS HA H 3.307 -1.599 -2.525 1.00 . A A . 31 LYS HA 1 1 9 4652 1 1 31 LYS HB2 H 5.093 0.371 -2.777 1.00 . A A . 31 LYS HB2 1 1 9 4653 1 1 31 LYS HB3 H 3.439 0.503 -3.325 1.00 . A A . 31 LYS HB3 1 1 9 4654 1 1 31 LYS HD2 H 4.781 2.647 0.054 1.00 . A A . 31 LYS HD2 1 1 9 4655 1 1 31 LYS HD3 H 4.940 0.893 0.116 1.00 . A A . 31 LYS HD3 1 1 9 4656 1 1 31 LYS HE2 H 6.651 0.896 -1.510 1.00 . A A . 31 LYS HE2 1 1 9 4657 1 1 31 LYS HE3 H 6.304 2.557 -1.987 1.00 . A A . 31 LYS HE3 1 1 9 4658 1 1 31 LYS HG2 H 3.910 2.504 -2.219 1.00 . A A . 31 LYS HG2 1 1 9 4659 1 1 31 LYS HG3 H 2.916 1.572 -1.103 1.00 . A A . 31 LYS HG3 1 1 9 4660 1 1 31 LYS HZ1 H 8.253 2.583 -0.674 1.00 . A A . 31 LYS HZ1 1 1 9 4661 1 1 31 LYS HZ2 H 7.556 1.634 0.536 1.00 . A A . 31 LYS HZ2 1 1 9 4662 1 1 31 LYS HZ3 H 7.023 3.216 0.289 1.00 . A A . 31 LYS HZ3 1 1 9 4663 1 1 31 LYS N N 2.749 -0.792 -0.724 1.00 . A A . 31 LYS N 1 1 9 4664 1 1 31 LYS NZ N 7.366 2.356 -0.183 1.00 . A A . 31 LYS NZ 1 1 9 4665 1 1 31 LYS O O 5.294 -1.504 -0.046 1.00 . A A . 31 LYS O 1 1 9 4666 1 1 32 TRP C C 7.830 -2.198 -0.914 1.00 . A A . 32 TRP C 1 1 9 4667 1 1 32 TRP CA C 6.873 -3.076 -1.712 1.00 . A A . 32 TRP CA 1 1 9 4668 1 1 32 TRP CB C 7.576 -3.640 -2.949 1.00 . A A . 32 TRP CB 1 1 9 4669 1 1 32 TRP CD1 C 5.729 -3.884 -4.708 1.00 . A A . 32 TRP CD1 1 1 9 4670 1 1 32 TRP CD2 C 6.553 -5.825 -3.966 1.00 . A A . 32 TRP CD2 1 1 9 4671 1 1 32 TRP CE2 C 5.554 -6.098 -4.920 1.00 . A A . 32 TRP CE2 1 1 9 4672 1 1 32 TRP CE3 C 7.211 -6.895 -3.360 1.00 . A A . 32 TRP CE3 1 1 9 4673 1 1 32 TRP CG C 6.654 -4.403 -3.850 1.00 . A A . 32 TRP CG 1 1 9 4674 1 1 32 TRP CH2 C 5.863 -8.423 -4.668 1.00 . A A . 32 TRP CH2 1 1 9 4675 1 1 32 TRP CZ2 C 5.200 -7.394 -5.280 1.00 . A A . 32 TRP CZ2 1 1 9 4676 1 1 32 TRP CZ3 C 6.860 -8.181 -3.715 1.00 . A A . 32 TRP CZ3 1 1 9 4677 1 1 32 TRP H H 5.360 -2.404 -3.024 1.00 . A A . 32 TRP H 1 1 9 4678 1 1 32 TRP HA H 6.556 -3.899 -1.091 1.00 . A A . 32 TRP HA 1 1 9 4679 1 1 32 TRP HB2 H 8.002 -2.828 -3.516 1.00 . A A . 32 TRP HB2 1 1 9 4680 1 1 32 TRP HB3 H 8.364 -4.306 -2.634 1.00 . A A . 32 TRP HB3 1 1 9 4681 1 1 32 TRP HD1 H 5.558 -2.828 -4.851 1.00 . A A . 32 TRP HD1 1 1 9 4682 1 1 32 TRP HE1 H 4.360 -4.774 -6.031 1.00 . A A . 32 TRP HE1 1 1 9 4683 1 1 32 TRP HE3 H 7.981 -6.727 -2.623 1.00 . A A . 32 TRP HE3 1 1 9 4684 1 1 32 TRP HH2 H 5.620 -9.445 -4.915 1.00 . A A . 32 TRP HH2 1 1 9 4685 1 1 32 TRP HZ2 H 4.434 -7.596 -6.012 1.00 . A A . 32 TRP HZ2 1 1 9 4686 1 1 32 TRP HZ3 H 7.359 -9.018 -3.256 1.00 . A A . 32 TRP HZ3 1 1 9 4687 1 1 32 TRP N N 5.678 -2.340 -2.101 1.00 . A A . 32 TRP N 1 1 9 4688 1 1 32 TRP NE1 N 5.070 -4.895 -5.360 1.00 . A A . 32 TRP NE1 1 1 9 4689 1 1 32 TRP O O 8.126 -1.067 -1.303 1.00 . A A . 32 TRP O 1 1 9 4690 1 1 33 PRO C C 10.479 -1.500 0.265 1.00 . A A . 33 PRO C 1 1 9 4691 1 1 33 PRO CA C 9.263 -1.956 1.060 1.00 . A A . 33 PRO CA 1 1 9 4692 1 1 33 PRO CB C 9.665 -2.957 2.149 1.00 . A A . 33 PRO CB 1 1 9 4693 1 1 33 PRO CD C 8.049 -4.046 0.766 1.00 . A A . 33 PRO CD 1 1 9 4694 1 1 33 PRO CG C 8.563 -3.959 2.175 1.00 . A A . 33 PRO CG 1 1 9 4695 1 1 33 PRO HA H 8.784 -1.097 1.508 1.00 . A A . 33 PRO HA 1 1 9 4696 1 1 33 PRO HB2 H 10.609 -3.412 1.893 1.00 . A A . 33 PRO HB2 1 1 9 4697 1 1 33 PRO HB3 H 9.752 -2.445 3.096 1.00 . A A . 33 PRO HB3 1 1 9 4698 1 1 33 PRO HD2 H 8.578 -4.810 0.215 1.00 . A A . 33 PRO HD2 1 1 9 4699 1 1 33 PRO HD3 H 6.989 -4.244 0.763 1.00 . A A . 33 PRO HD3 1 1 9 4700 1 1 33 PRO HG2 H 8.943 -4.917 2.495 1.00 . A A . 33 PRO HG2 1 1 9 4701 1 1 33 PRO HG3 H 7.779 -3.628 2.837 1.00 . A A . 33 PRO HG3 1 1 9 4702 1 1 33 PRO N N 8.335 -2.707 0.219 1.00 . A A . 33 PRO N 1 1 9 4703 1 1 33 PRO O O 10.954 -0.376 0.423 1.00 . A A . 33 PRO O 1 1 9 4704 1 1 34 TRP C C 11.663 -1.431 -2.753 1.00 . A A . 34 TRP C 1 1 9 4705 1 1 34 TRP CA C 12.114 -2.060 -1.439 1.00 . A A . 34 TRP CA 1 1 9 4706 1 1 34 TRP CB C 12.949 -3.318 -1.719 1.00 . A A . 34 TRP CB 1 1 9 4707 1 1 34 TRP CD1 C 14.687 -4.013 -0.011 1.00 . A A . 34 TRP CD1 1 1 9 4708 1 1 34 TRP CD2 C 12.663 -4.867 0.388 1.00 . A A . 34 TRP CD2 1 1 9 4709 1 1 34 TRP CE2 C 13.541 -5.307 1.396 1.00 . A A . 34 TRP CE2 1 1 9 4710 1 1 34 TRP CE3 C 11.329 -5.283 0.432 1.00 . A A . 34 TRP CE3 1 1 9 4711 1 1 34 TRP CG C 13.423 -4.023 -0.490 1.00 . A A . 34 TRP CG 1 1 9 4712 1 1 34 TRP CH2 C 11.822 -6.534 2.447 1.00 . A A . 34 TRP CH2 1 1 9 4713 1 1 34 TRP CZ2 C 13.131 -6.143 2.431 1.00 . A A . 34 TRP CZ2 1 1 9 4714 1 1 34 TRP CZ3 C 10.924 -6.114 1.459 1.00 . A A . 34 TRP CZ3 1 1 9 4715 1 1 34 TRP H H 10.532 -3.244 -0.698 1.00 . A A . 34 TRP H 1 1 9 4716 1 1 34 TRP HA H 12.726 -1.346 -0.906 1.00 . A A . 34 TRP HA 1 1 9 4717 1 1 34 TRP HB2 H 12.369 -4.013 -2.286 1.00 . A A . 34 TRP HB2 1 1 9 4718 1 1 34 TRP HB3 H 13.819 -3.036 -2.293 1.00 . A A . 34 TRP HB3 1 1 9 4719 1 1 34 TRP HD1 H 15.490 -3.472 -0.471 1.00 . A A . 34 TRP HD1 1 1 9 4720 1 1 34 TRP HE1 H 15.584 -4.907 1.667 1.00 . A A . 34 TRP HE1 1 1 9 4721 1 1 34 TRP HE3 H 10.623 -4.974 -0.321 1.00 . A A . 34 TRP HE3 1 1 9 4722 1 1 34 TRP HH2 H 11.460 -7.184 3.230 1.00 . A A . 34 TRP HH2 1 1 9 4723 1 1 34 TRP HZ2 H 13.811 -6.474 3.201 1.00 . A A . 34 TRP HZ2 1 1 9 4724 1 1 34 TRP HZ3 H 9.899 -6.448 1.507 1.00 . A A . 34 TRP HZ3 1 1 9 4725 1 1 34 TRP N N 10.965 -2.373 -0.605 1.00 . A A . 34 TRP N 1 1 9 4726 1 1 34 TRP NE1 N 14.772 -4.772 1.129 1.00 . A A . 34 TRP NE1 1 1 9 4727 1 1 34 TRP O O 12.363 -1.502 -3.763 1.00 . A A . 34 TRP O 1 1 9 4728 1 1 35 ASN C C 10.922 0.871 -4.465 1.00 . A A . 35 ASN C 1 1 9 4729 1 1 35 ASN CA C 9.948 -0.172 -3.932 1.00 . A A . 35 ASN CA 1 1 9 4730 1 1 35 ASN CB C 8.595 0.478 -3.642 1.00 . A A . 35 ASN CB 1 1 9 4731 1 1 35 ASN CG C 8.067 1.258 -4.831 1.00 . A A . 35 ASN CG 1 1 9 4732 1 1 35 ASN H H 9.971 -0.787 -1.904 1.00 . A A . 35 ASN H 1 1 9 4733 1 1 35 ASN HA H 9.815 -0.937 -4.683 1.00 . A A . 35 ASN HA 1 1 9 4734 1 1 35 ASN HB2 H 7.879 -0.293 -3.399 1.00 . A A . 35 ASN HB2 1 1 9 4735 1 1 35 ASN HB3 H 8.693 1.149 -2.805 1.00 . A A . 35 ASN HB3 1 1 9 4736 1 1 35 ASN HD21 H 8.220 2.961 -3.820 1.00 . A A . 35 ASN HD21 1 1 9 4737 1 1 35 ASN HD22 H 7.611 3.091 -5.435 1.00 . A A . 35 ASN HD22 1 1 9 4738 1 1 35 ASN N N 10.488 -0.812 -2.736 1.00 . A A . 35 ASN N 1 1 9 4739 1 1 35 ASN ND2 N 7.955 2.567 -4.680 1.00 . A A . 35 ASN ND2 1 1 9 4740 1 1 35 ASN O O 11.029 1.076 -5.675 1.00 . A A . 35 ASN O 1 1 9 4741 1 1 35 ASN OD1 O 7.770 0.685 -5.881 1.00 . A A . 35 ASN OD1 1 1 9 4742 1 1 36 ALA C C 11.920 3.721 -4.609 1.00 . A A . 36 ALA C 1 1 9 4743 1 1 36 ALA CA C 12.603 2.541 -3.922 1.00 . A A . 36 ALA CA 1 1 9 4744 1 1 36 ALA CB C 13.685 1.937 -4.809 1.00 . A A . 36 ALA CB 1 1 9 4745 1 1 36 ALA H H 11.499 1.314 -2.606 1.00 . A A . 36 ALA H 1 1 9 4746 1 1 36 ALA HA H 13.074 2.893 -3.016 1.00 . A A . 36 ALA HA 1 1 9 4747 1 1 36 ALA HB1 H 13.974 0.973 -4.417 1.00 . A A . 36 ALA HB1 1 1 9 4748 1 1 36 ALA HB2 H 14.543 2.590 -4.825 1.00 . A A . 36 ALA HB2 1 1 9 4749 1 1 36 ALA HB3 H 13.305 1.818 -5.813 1.00 . A A . 36 ALA HB3 1 1 9 4750 1 1 36 ALA N N 11.631 1.523 -3.553 1.00 . A A . 36 ALA N 1 1 9 4751 1 1 36 ALA O O 12.353 4.115 -5.710 1.00 . A A . 36 ALA O 1 1 9 4752 1 1 36 ALA OXT O 10.943 4.250 -4.041 1.00 . A A . 36 ALA OXT 1 1 10 4753 1 1 1 LEU C C 5.608 7.185 -1.644 1.00 . A A . 1 LEU C 1 1 10 4754 1 1 1 LEU CA C 7.107 6.973 -1.420 1.00 . A A . 1 LEU CA 1 1 10 4755 1 1 1 LEU CB C 7.361 5.884 -0.367 1.00 . A A . 1 LEU CB 1 1 10 4756 1 1 1 LEU CD1 C 8.075 4.065 -1.952 1.00 . A A . 1 LEU CD1 1 1 10 4757 1 1 1 LEU CD2 C 7.299 3.485 0.357 1.00 . A A . 1 LEU CD2 1 1 10 4758 1 1 1 LEU CG C 7.128 4.437 -0.820 1.00 . A A . 1 LEU CG 1 1 10 4759 1 1 1 LEU H1 H 7.002 8.932 -0.715 1.00 . A A . 1 LEU H1 1 1 10 4760 1 1 1 LEU H2 H 8.361 8.619 -1.663 1.00 . A A . 1 LEU H2 1 1 10 4761 1 1 1 LEU H3 H 8.289 8.043 -0.082 1.00 . A A . 1 LEU H3 1 1 10 4762 1 1 1 LEU HA H 7.570 6.691 -2.351 1.00 . A A . 1 LEU HA 1 1 10 4763 1 1 1 LEU HB2 H 8.385 5.970 -0.037 1.00 . A A . 1 LEU HB2 1 1 10 4764 1 1 1 LEU HB3 H 6.716 6.078 0.478 1.00 . A A . 1 LEU HB3 1 1 10 4765 1 1 1 LEU HD11 H 7.980 3.011 -2.168 1.00 . A A . 1 LEU HD11 1 1 10 4766 1 1 1 LEU HD12 H 9.092 4.281 -1.658 1.00 . A A . 1 LEU HD12 1 1 10 4767 1 1 1 LEU HD13 H 7.826 4.635 -2.834 1.00 . A A . 1 LEU HD13 1 1 10 4768 1 1 1 LEU HD21 H 7.976 3.921 1.078 1.00 . A A . 1 LEU HD21 1 1 10 4769 1 1 1 LEU HD22 H 7.703 2.547 0.008 1.00 . A A . 1 LEU HD22 1 1 10 4770 1 1 1 LEU HD23 H 6.340 3.313 0.823 1.00 . A A . 1 LEU HD23 1 1 10 4771 1 1 1 LEU HG H 6.120 4.336 -1.187 1.00 . A A . 1 LEU HG 1 1 10 4772 1 1 1 LEU N N 7.733 8.228 -0.937 1.00 . A A . 1 LEU N 1 1 10 4773 1 1 1 LEU O O 4.783 6.340 -1.281 1.00 . A A . 1 LEU O 1 1 10 4774 1 1 2 PHE C C 3.082 7.503 -3.073 1.00 . A A . 2 PHE C 1 1 10 4775 1 1 2 PHE CA C 3.875 8.683 -2.523 1.00 . A A . 2 PHE CA 1 1 10 4776 1 1 2 PHE CB C 3.805 9.860 -3.502 1.00 . A A . 2 PHE CB 1 1 10 4777 1 1 2 PHE CD1 C 5.098 11.388 -1.976 1.00 . A A . 2 PHE CD1 1 1 10 4778 1 1 2 PHE CD2 C 3.233 12.281 -3.165 1.00 . A A . 2 PHE CD2 1 1 10 4779 1 1 2 PHE CE1 C 5.320 12.622 -1.395 1.00 . A A . 2 PHE CE1 1 1 10 4780 1 1 2 PHE CE2 C 3.451 13.516 -2.586 1.00 . A A . 2 PHE CE2 1 1 10 4781 1 1 2 PHE CG C 4.053 11.202 -2.868 1.00 . A A . 2 PHE CG 1 1 10 4782 1 1 2 PHE CZ C 4.495 13.686 -1.699 1.00 . A A . 2 PHE CZ 1 1 10 4783 1 1 2 PHE H H 5.975 8.948 -2.511 1.00 . A A . 2 PHE H 1 1 10 4784 1 1 2 PHE HA H 3.430 8.987 -1.588 1.00 . A A . 2 PHE HA 1 1 10 4785 1 1 2 PHE HB2 H 4.544 9.718 -4.275 1.00 . A A . 2 PHE HB2 1 1 10 4786 1 1 2 PHE HB3 H 2.825 9.881 -3.953 1.00 . A A . 2 PHE HB3 1 1 10 4787 1 1 2 PHE HD1 H 5.744 10.558 -1.736 1.00 . A A . 2 PHE HD1 1 1 10 4788 1 1 2 PHE HD2 H 2.416 12.149 -3.858 1.00 . A A . 2 PHE HD2 1 1 10 4789 1 1 2 PHE HE1 H 6.137 12.754 -0.702 1.00 . A A . 2 PHE HE1 1 1 10 4790 1 1 2 PHE HE2 H 2.804 14.347 -2.826 1.00 . A A . 2 PHE HE2 1 1 10 4791 1 1 2 PHE HZ H 4.667 14.650 -1.246 1.00 . A A . 2 PHE HZ 1 1 10 4792 1 1 2 PHE N N 5.267 8.325 -2.246 1.00 . A A . 2 PHE N 1 1 10 4793 1 1 2 PHE O O 3.608 6.672 -3.812 1.00 . A A . 2 PHE O 1 1 10 4794 1 1 3 CYS C C 0.481 6.591 -4.582 1.00 . A A . 3 CYS C 1 1 10 4795 1 1 3 CYS CA C 0.927 6.372 -3.132 1.00 . A A . 3 CYS CA 1 1 10 4796 1 1 3 CYS CB C -0.285 6.305 -2.197 1.00 . A A . 3 CYS CB 1 1 10 4797 1 1 3 CYS H H 1.462 8.135 -2.101 1.00 . A A . 3 CYS H 1 1 10 4798 1 1 3 CYS HA H 1.470 5.442 -3.071 1.00 . A A . 3 CYS HA 1 1 10 4799 1 1 3 CYS HB2 H 0.061 6.259 -1.177 1.00 . A A . 3 CYS HB2 1 1 10 4800 1 1 3 CYS HB3 H -0.885 7.194 -2.330 1.00 . A A . 3 CYS HB3 1 1 10 4801 1 1 3 CYS N N 1.814 7.440 -2.696 1.00 . A A . 3 CYS N 1 1 10 4802 1 1 3 CYS O O 1.202 7.198 -5.378 1.00 . A A . 3 CYS O 1 1 10 4803 1 1 3 CYS SG S -1.361 4.863 -2.474 1.00 . A A . 3 CYS SG 1 1 10 4804 1 1 4 LYS C C -0.381 5.534 -7.279 1.00 . A A . 4 LYS C 1 1 10 4805 1 1 4 LYS CA C -1.272 6.230 -6.252 1.00 . A A . 4 LYS CA 1 1 10 4806 1 1 4 LYS CB C -1.479 7.704 -6.617 1.00 . A A . 4 LYS CB 1 1 10 4807 1 1 4 LYS CD C -2.762 9.378 -8.004 1.00 . A A . 4 LYS CD 1 1 10 4808 1 1 4 LYS CE C -1.535 10.135 -8.486 1.00 . A A . 4 LYS CE 1 1 10 4809 1 1 4 LYS CG C -2.461 7.906 -7.762 1.00 . A A . 4 LYS CG 1 1 10 4810 1 1 4 LYS H H -1.234 5.633 -4.233 1.00 . A A . 4 LYS H 1 1 10 4811 1 1 4 LYS HA H -2.233 5.737 -6.248 1.00 . A A . 4 LYS HA 1 1 10 4812 1 1 4 LYS HB2 H -1.855 8.229 -5.750 1.00 . A A . 4 LYS HB2 1 1 10 4813 1 1 4 LYS HB3 H -0.530 8.130 -6.903 1.00 . A A . 4 LYS HB3 1 1 10 4814 1 1 4 LYS HD2 H -3.536 9.457 -8.751 1.00 . A A . 4 LYS HD2 1 1 10 4815 1 1 4 LYS HD3 H -3.106 9.819 -7.079 1.00 . A A . 4 LYS HD3 1 1 10 4816 1 1 4 LYS HE2 H -0.776 10.093 -7.720 1.00 . A A . 4 LYS HE2 1 1 10 4817 1 1 4 LYS HE3 H -1.167 9.659 -9.383 1.00 . A A . 4 LYS HE3 1 1 10 4818 1 1 4 LYS HG2 H -2.039 7.486 -8.662 1.00 . A A . 4 LYS HG2 1 1 10 4819 1 1 4 LYS HG3 H -3.381 7.396 -7.523 1.00 . A A . 4 LYS HG3 1 1 10 4820 1 1 4 LYS HZ1 H -1.952 11.691 -9.807 1.00 . A A . 4 LYS HZ1 1 1 10 4821 1 1 4 LYS HZ2 H -1.075 12.166 -8.444 1.00 . A A . 4 LYS HZ2 1 1 10 4822 1 1 4 LYS HZ3 H -2.725 11.837 -8.313 1.00 . A A . 4 LYS HZ3 1 1 10 4823 1 1 4 LYS N N -0.711 6.100 -4.913 1.00 . A A . 4 LYS N 1 1 10 4824 1 1 4 LYS NZ N -1.843 11.556 -8.784 1.00 . A A . 4 LYS NZ 1 1 10 4825 1 1 4 LYS O O -0.005 6.115 -8.303 1.00 . A A . 4 LYS O 1 1 10 4826 1 1 5 GLY C C 0.928 2.070 -7.386 1.00 . A A . 5 GLY C 1 1 10 4827 1 1 5 GLY CA C 0.780 3.495 -7.879 1.00 . A A . 5 GLY CA 1 1 10 4828 1 1 5 GLY H H -0.392 3.880 -6.166 1.00 . A A . 5 GLY H 1 1 10 4829 1 1 5 GLY HA2 H 0.336 3.483 -8.864 1.00 . A A . 5 GLY HA2 1 1 10 4830 1 1 5 GLY HA3 H 1.758 3.949 -7.940 1.00 . A A . 5 GLY HA3 1 1 10 4831 1 1 5 GLY N N -0.056 4.282 -6.994 1.00 . A A . 5 GLY N 1 1 10 4832 1 1 5 GLY O O 0.847 1.119 -8.167 1.00 . A A . 5 GLY O 1 1 10 4833 1 1 6 GLY C C -0.045 -0.134 -5.414 1.00 . A A . 6 GLY C 1 1 10 4834 1 1 6 GLY CA C 1.278 0.607 -5.490 1.00 . A A . 6 GLY CA 1 1 10 4835 1 1 6 GLY H H 1.175 2.719 -5.513 1.00 . A A . 6 GLY H 1 1 10 4836 1 1 6 GLY HA2 H 1.971 0.028 -6.084 1.00 . A A . 6 GLY HA2 1 1 10 4837 1 1 6 GLY HA3 H 1.676 0.714 -4.492 1.00 . A A . 6 GLY HA3 1 1 10 4838 1 1 6 GLY N N 1.133 1.922 -6.083 1.00 . A A . 6 GLY N 1 1 10 4839 1 1 6 GLY O O -0.877 -0.023 -6.319 1.00 . A A . 6 GLY O 1 1 10 4840 1 1 7 SER C C -2.212 -1.182 -2.897 1.00 . A A . 7 SER C 1 1 10 4841 1 1 7 SER CA C -1.480 -1.641 -4.156 1.00 . A A . 7 SER CA 1 1 10 4842 1 1 7 SER CB C -1.176 -3.141 -4.084 1.00 . A A . 7 SER CB 1 1 10 4843 1 1 7 SER H H 0.448 -0.933 -3.647 1.00 . A A . 7 SER H 1 1 10 4844 1 1 7 SER HA H -2.112 -1.455 -5.010 1.00 . A A . 7 SER HA 1 1 10 4845 1 1 7 SER HB2 H -0.557 -3.421 -4.922 1.00 . A A . 7 SER HB2 1 1 10 4846 1 1 7 SER HB3 H -0.653 -3.354 -3.167 1.00 . A A . 7 SER HB3 1 1 10 4847 1 1 7 SER HG H -2.767 -3.844 -5.001 1.00 . A A . 7 SER HG 1 1 10 4848 1 1 7 SER N N -0.247 -0.886 -4.338 1.00 . A A . 7 SER N 1 1 10 4849 1 1 7 SER O O -1.634 -1.118 -1.810 1.00 . A A . 7 SER O 1 1 10 4850 1 1 7 SER OG O -2.367 -3.913 -4.121 1.00 . A A . 7 SER OG 1 1 10 4851 1 1 8 CYS C C -4.807 -1.592 -1.121 1.00 . A A . 8 CYS C 1 1 10 4852 1 1 8 CYS CA C -4.321 -0.403 -1.956 1.00 . A A . 8 CYS CA 1 1 10 4853 1 1 8 CYS CB C -5.492 0.405 -2.516 1.00 . A A . 8 CYS CB 1 1 10 4854 1 1 8 CYS H H -3.884 -0.932 -3.950 1.00 . A A . 8 CYS H 1 1 10 4855 1 1 8 CYS HA H -3.724 0.236 -1.325 1.00 . A A . 8 CYS HA 1 1 10 4856 1 1 8 CYS HB2 H -6.136 -0.247 -3.083 1.00 . A A . 8 CYS HB2 1 1 10 4857 1 1 8 CYS HB3 H -6.045 0.833 -1.704 1.00 . A A . 8 CYS HB3 1 1 10 4858 1 1 8 CYS N N -3.486 -0.860 -3.057 1.00 . A A . 8 CYS N 1 1 10 4859 1 1 8 CYS O O -5.997 -1.778 -0.902 1.00 . A A . 8 CYS O 1 1 10 4860 1 1 8 CYS SG S -4.993 1.777 -3.605 1.00 . A A . 8 CYS SG 1 1 10 4861 1 1 9 HIS C C -5.383 -4.316 -0.272 1.00 . A A . 9 HIS C 1 1 10 4862 1 1 9 HIS CA C -4.117 -3.574 0.149 1.00 . A A . 9 HIS CA 1 1 10 4863 1 1 9 HIS CB C -4.169 -3.243 1.645 1.00 . A A . 9 HIS CB 1 1 10 4864 1 1 9 HIS CD2 C -1.625 -3.636 1.857 1.00 . A A . 9 HIS CD2 1 1 10 4865 1 1 9 HIS CE1 C -1.468 -3.685 4.036 1.00 . A A . 9 HIS CE1 1 1 10 4866 1 1 9 HIS CG C -2.865 -3.453 2.350 1.00 . A A . 9 HIS CG 1 1 10 4867 1 1 9 HIS H H -2.934 -2.159 -0.871 1.00 . A A . 9 HIS H 1 1 10 4868 1 1 9 HIS HA H -3.285 -4.242 -0.011 1.00 . A A . 9 HIS HA 1 1 10 4869 1 1 9 HIS HB2 H -4.437 -2.213 1.760 1.00 . A A . 9 HIS HB2 1 1 10 4870 1 1 9 HIS HB3 H -4.910 -3.862 2.124 1.00 . A A . 9 HIS HB3 1 1 10 4871 1 1 9 HIS HD1 H -3.463 -3.390 4.373 1.00 . A A . 9 HIS HD1 1 1 10 4872 1 1 9 HIS HD2 H -1.358 -3.657 0.816 1.00 . A A . 9 HIS HD2 1 1 10 4873 1 1 9 HIS HE1 H -1.070 -3.759 5.037 1.00 . A A . 9 HIS HE1 1 1 10 4874 1 1 9 HIS HE2 H 0.138 -4.153 2.865 1.00 . A A . 9 HIS HE2 1 1 10 4875 1 1 9 HIS N N -3.855 -2.386 -0.663 1.00 . A A . 9 HIS N 1 1 10 4876 1 1 9 HIS ND1 N -2.734 -3.489 3.722 1.00 . A A . 9 HIS ND1 1 1 10 4877 1 1 9 HIS NE2 N -0.770 -3.779 2.921 1.00 . A A . 9 HIS NE2 1 1 10 4878 1 1 9 HIS O O -6.230 -4.636 0.560 1.00 . A A . 9 HIS O 1 1 10 4879 1 1 10 PHE C C -6.351 -6.895 -1.737 1.00 . A A . 10 PHE C 1 1 10 4880 1 1 10 PHE CA C -6.615 -5.425 -2.042 1.00 . A A . 10 PHE CA 1 1 10 4881 1 1 10 PHE CB C -6.825 -5.224 -3.549 1.00 . A A . 10 PHE CB 1 1 10 4882 1 1 10 PHE CD1 C -7.431 -2.786 -3.436 1.00 . A A . 10 PHE CD1 1 1 10 4883 1 1 10 PHE CD2 C -8.833 -4.247 -4.693 1.00 . A A . 10 PHE CD2 1 1 10 4884 1 1 10 PHE CE1 C -8.251 -1.721 -3.759 1.00 . A A . 10 PHE CE1 1 1 10 4885 1 1 10 PHE CE2 C -9.655 -3.186 -5.018 1.00 . A A . 10 PHE CE2 1 1 10 4886 1 1 10 PHE CG C -7.711 -4.060 -3.899 1.00 . A A . 10 PHE CG 1 1 10 4887 1 1 10 PHE CZ C -9.363 -1.921 -4.550 1.00 . A A . 10 PHE CZ 1 1 10 4888 1 1 10 PHE H H -4.753 -4.419 -2.163 1.00 . A A . 10 PHE H 1 1 10 4889 1 1 10 PHE HA H -7.497 -5.109 -1.507 1.00 . A A . 10 PHE HA 1 1 10 4890 1 1 10 PHE HB2 H -5.866 -5.059 -4.015 1.00 . A A . 10 PHE HB2 1 1 10 4891 1 1 10 PHE HB3 H -7.269 -6.117 -3.964 1.00 . A A . 10 PHE HB3 1 1 10 4892 1 1 10 PHE HD1 H -6.561 -2.628 -2.822 1.00 . A A . 10 PHE HD1 1 1 10 4893 1 1 10 PHE HD2 H -9.062 -5.237 -5.059 1.00 . A A . 10 PHE HD2 1 1 10 4894 1 1 10 PHE HE1 H -8.023 -0.732 -3.391 1.00 . A A . 10 PHE HE1 1 1 10 4895 1 1 10 PHE HE2 H -10.525 -3.346 -5.637 1.00 . A A . 10 PHE HE2 1 1 10 4896 1 1 10 PHE HZ H -10.004 -1.091 -4.803 1.00 . A A . 10 PHE HZ 1 1 10 4897 1 1 10 PHE N N -5.481 -4.650 -1.550 1.00 . A A . 10 PHE N 1 1 10 4898 1 1 10 PHE O O -6.767 -7.798 -2.467 1.00 . A A . 10 PHE O 1 1 10 4899 1 1 11 GLY C C -3.954 -8.395 0.527 1.00 . A A . 11 GLY C 1 1 10 4900 1 1 11 GLY CA C -5.263 -8.434 -0.226 1.00 . A A . 11 GLY CA 1 1 10 4901 1 1 11 GLY H H -5.324 -6.338 -0.134 1.00 . A A . 11 GLY H 1 1 10 4902 1 1 11 GLY HA2 H -6.036 -8.828 0.418 1.00 . A A . 11 GLY HA2 1 1 10 4903 1 1 11 GLY HA3 H -5.156 -9.073 -1.090 1.00 . A A . 11 GLY HA3 1 1 10 4904 1 1 11 GLY N N -5.630 -7.108 -0.654 1.00 . A A . 11 GLY N 1 1 10 4905 1 1 11 GLY O O -3.712 -7.463 1.290 1.00 . A A . 11 GLY O 1 1 10 4906 1 1 12 GLY C C -0.766 -8.607 0.225 1.00 . A A . 12 GLY C 1 1 10 4907 1 1 12 GLY CA C -1.811 -9.415 0.963 1.00 . A A . 12 GLY CA 1 1 10 4908 1 1 12 GLY H H -3.342 -10.088 -0.335 1.00 . A A . 12 GLY H 1 1 10 4909 1 1 12 GLY HA2 H -1.918 -9.020 1.961 1.00 . A A . 12 GLY HA2 1 1 10 4910 1 1 12 GLY HA3 H -1.479 -10.437 1.024 1.00 . A A . 12 GLY HA3 1 1 10 4911 1 1 12 GLY N N -3.102 -9.381 0.300 1.00 . A A . 12 GLY N 1 1 10 4912 1 1 12 GLY O O 0.400 -8.559 0.627 1.00 . A A . 12 GLY O 1 1 10 4913 1 1 13 CYS C C 0.817 -8.041 -2.286 1.00 . A A . 13 CYS C 1 1 10 4914 1 1 13 CYS CA C -0.288 -7.175 -1.679 1.00 . A A . 13 CYS CA 1 1 10 4915 1 1 13 CYS CB C 0.297 -6.018 -0.863 1.00 . A A . 13 CYS CB 1 1 10 4916 1 1 13 CYS H H -2.119 -8.065 -1.127 1.00 . A A . 13 CYS H 1 1 10 4917 1 1 13 CYS HA H -0.875 -6.764 -2.487 1.00 . A A . 13 CYS HA 1 1 10 4918 1 1 13 CYS HB2 H 0.297 -6.287 0.181 1.00 . A A . 13 CYS HB2 1 1 10 4919 1 1 13 CYS HB3 H 1.310 -5.830 -1.184 1.00 . A A . 13 CYS HB3 1 1 10 4920 1 1 13 CYS N N -1.184 -7.979 -0.862 1.00 . A A . 13 CYS N 1 1 10 4921 1 1 13 CYS O O 1.080 -9.151 -1.821 1.00 . A A . 13 CYS O 1 1 10 4922 1 1 13 CYS SG S -0.637 -4.461 -1.025 1.00 . A A . 13 CYS SG 1 1 10 4923 1 1 14 PRO C C 3.425 -9.088 -3.144 1.00 . A A . 14 PRO C 1 1 10 4924 1 1 14 PRO CA C 2.521 -8.266 -4.061 1.00 . A A . 14 PRO CA 1 1 10 4925 1 1 14 PRO CB C 3.304 -7.131 -4.709 1.00 . A A . 14 PRO CB 1 1 10 4926 1 1 14 PRO CD C 1.184 -6.242 -3.986 1.00 . A A . 14 PRO CD 1 1 10 4927 1 1 14 PRO CG C 2.270 -6.103 -5.027 1.00 . A A . 14 PRO CG 1 1 10 4928 1 1 14 PRO HA H 2.117 -8.906 -4.830 1.00 . A A . 14 PRO HA 1 1 10 4929 1 1 14 PRO HB2 H 4.041 -6.752 -4.014 1.00 . A A . 14 PRO HB2 1 1 10 4930 1 1 14 PRO HB3 H 3.792 -7.489 -5.603 1.00 . A A . 14 PRO HB3 1 1 10 4931 1 1 14 PRO HD2 H 1.254 -5.443 -3.264 1.00 . A A . 14 PRO HD2 1 1 10 4932 1 1 14 PRO HD3 H 0.211 -6.241 -4.457 1.00 . A A . 14 PRO HD3 1 1 10 4933 1 1 14 PRO HG2 H 2.708 -5.118 -4.979 1.00 . A A . 14 PRO HG2 1 1 10 4934 1 1 14 PRO HG3 H 1.867 -6.284 -6.012 1.00 . A A . 14 PRO HG3 1 1 10 4935 1 1 14 PRO N N 1.460 -7.548 -3.354 1.00 . A A . 14 PRO N 1 1 10 4936 1 1 14 PRO O O 3.850 -10.185 -3.507 1.00 . A A . 14 PRO O 1 1 10 4937 1 1 15 SER C C 4.554 -8.616 0.356 1.00 . A A . 15 SER C 1 1 10 4938 1 1 15 SER CA C 4.594 -9.262 -1.027 1.00 . A A . 15 SER CA 1 1 10 4939 1 1 15 SER CB C 6.033 -9.285 -1.558 1.00 . A A . 15 SER CB 1 1 10 4940 1 1 15 SER H H 3.371 -7.682 -1.728 1.00 . A A . 15 SER H 1 1 10 4941 1 1 15 SER HA H 4.239 -10.276 -0.945 1.00 . A A . 15 SER HA 1 1 10 4942 1 1 15 SER HB2 H 6.059 -9.811 -2.500 1.00 . A A . 15 SER HB2 1 1 10 4943 1 1 15 SER HB3 H 6.377 -8.272 -1.703 1.00 . A A . 15 SER HB3 1 1 10 4944 1 1 15 SER HG H 6.815 -9.534 0.226 1.00 . A A . 15 SER HG 1 1 10 4945 1 1 15 SER N N 3.728 -8.560 -1.966 1.00 . A A . 15 SER N 1 1 10 4946 1 1 15 SER O O 5.577 -8.153 0.861 1.00 . A A . 15 SER O 1 1 10 4947 1 1 15 SER OG O 6.907 -9.936 -0.649 1.00 . A A . 15 SER OG 1 1 10 4948 1 1 16 HIS C C 3.874 -6.622 2.340 1.00 . A A . 16 HIS C 1 1 10 4949 1 1 16 HIS CA C 3.226 -7.998 2.296 1.00 . A A . 16 HIS CA 1 1 10 4950 1 1 16 HIS CB C 3.858 -8.899 3.363 1.00 . A A . 16 HIS CB 1 1 10 4951 1 1 16 HIS CD2 C 2.094 -10.737 2.900 1.00 . A A . 16 HIS CD2 1 1 10 4952 1 1 16 HIS CE1 C 2.860 -12.266 4.266 1.00 . A A . 16 HIS CE1 1 1 10 4953 1 1 16 HIS CG C 3.191 -10.229 3.505 1.00 . A A . 16 HIS CG 1 1 10 4954 1 1 16 HIS H H 2.589 -8.974 0.520 1.00 . A A . 16 HIS H 1 1 10 4955 1 1 16 HIS HA H 2.172 -7.898 2.497 1.00 . A A . 16 HIS HA 1 1 10 4956 1 1 16 HIS HB2 H 4.893 -9.075 3.109 1.00 . A A . 16 HIS HB2 1 1 10 4957 1 1 16 HIS HB3 H 3.809 -8.399 4.319 1.00 . A A . 16 HIS HB3 1 1 10 4958 1 1 16 HIS HD1 H 4.439 -11.149 4.936 1.00 . A A . 16 HIS HD1 1 1 10 4959 1 1 16 HIS HD2 H 1.475 -10.236 2.170 1.00 . A A . 16 HIS HD2 1 1 10 4960 1 1 16 HIS HE1 H 2.974 -13.187 4.818 1.00 . A A . 16 HIS HE1 1 1 10 4961 1 1 16 HIS HE2 H 1.291 -12.670 3.019 1.00 . A A . 16 HIS HE2 1 1 10 4962 1 1 16 HIS N N 3.376 -8.586 0.967 1.00 . A A . 16 HIS N 1 1 10 4963 1 1 16 HIS ND1 N 3.647 -11.211 4.355 1.00 . A A . 16 HIS ND1 1 1 10 4964 1 1 16 HIS NE2 N 1.910 -12.005 3.391 1.00 . A A . 16 HIS NE2 1 1 10 4965 1 1 16 HIS O O 4.514 -6.248 3.326 1.00 . A A . 16 HIS O 1 1 10 4966 1 1 17 LEU C C 3.797 -3.691 2.354 1.00 . A A . 17 LEU C 1 1 10 4967 1 1 17 LEU CA C 4.283 -4.541 1.177 1.00 . A A . 17 LEU CA 1 1 10 4968 1 1 17 LEU CB C 3.922 -3.899 -0.167 1.00 . A A . 17 LEU CB 1 1 10 4969 1 1 17 LEU CD1 C 3.905 -3.981 -2.670 1.00 . A A . 17 LEU CD1 1 1 10 4970 1 1 17 LEU CD2 C 5.539 -5.388 -1.399 1.00 . A A . 17 LEU CD2 1 1 10 4971 1 1 17 LEU CG C 4.144 -4.781 -1.399 1.00 . A A . 17 LEU CG 1 1 10 4972 1 1 17 LEU H H 3.193 -6.222 0.514 1.00 . A A . 17 LEU H 1 1 10 4973 1 1 17 LEU HA H 5.355 -4.640 1.244 1.00 . A A . 17 LEU HA 1 1 10 4974 1 1 17 LEU HB2 H 2.886 -3.628 -0.144 1.00 . A A . 17 LEU HB2 1 1 10 4975 1 1 17 LEU HB3 H 4.508 -3.004 -0.284 1.00 . A A . 17 LEU HB3 1 1 10 4976 1 1 17 LEU HD11 H 4.455 -3.053 -2.622 1.00 . A A . 17 LEU HD11 1 1 10 4977 1 1 17 LEU HD12 H 2.851 -3.769 -2.769 1.00 . A A . 17 LEU HD12 1 1 10 4978 1 1 17 LEU HD13 H 4.237 -4.553 -3.524 1.00 . A A . 17 LEU HD13 1 1 10 4979 1 1 17 LEU HD21 H 5.747 -5.818 -0.432 1.00 . A A . 17 LEU HD21 1 1 10 4980 1 1 17 LEU HD22 H 6.263 -4.622 -1.617 1.00 . A A . 17 LEU HD22 1 1 10 4981 1 1 17 LEU HD23 H 5.594 -6.159 -2.154 1.00 . A A . 17 LEU HD23 1 1 10 4982 1 1 17 LEU HG H 3.427 -5.588 -1.380 1.00 . A A . 17 LEU HG 1 1 10 4983 1 1 17 LEU N N 3.710 -5.871 1.264 1.00 . A A . 17 LEU N 1 1 10 4984 1 1 17 LEU O O 2.623 -3.748 2.731 1.00 . A A . 17 LEU O 1 1 10 4985 1 1 18 ILE C C 3.381 -1.011 3.760 1.00 . A A . 18 ILE C 1 1 10 4986 1 1 18 ILE CA C 4.385 -2.104 4.110 1.00 . A A . 18 ILE CA 1 1 10 4987 1 1 18 ILE CB C 5.650 -1.451 4.707 1.00 . A A . 18 ILE CB 1 1 10 4988 1 1 18 ILE CD1 C 7.924 -1.972 5.740 1.00 . A A . 18 ILE CD1 1 1 10 4989 1 1 18 ILE CG1 C 6.650 -2.528 5.140 1.00 . A A . 18 ILE CG1 1 1 10 4990 1 1 18 ILE CG2 C 5.281 -0.556 5.884 1.00 . A A . 18 ILE CG2 1 1 10 4991 1 1 18 ILE H H 5.631 -2.949 2.621 1.00 . A A . 18 ILE H 1 1 10 4992 1 1 18 ILE HA H 3.951 -2.745 4.865 1.00 . A A . 18 ILE HA 1 1 10 4993 1 1 18 ILE HB H 6.103 -0.834 3.946 1.00 . A A . 18 ILE HB 1 1 10 4994 1 1 18 ILE HD11 H 7.710 -1.547 6.709 1.00 . A A . 18 ILE HD11 1 1 10 4995 1 1 18 ILE HD12 H 8.324 -1.206 5.092 1.00 . A A . 18 ILE HD12 1 1 10 4996 1 1 18 ILE HD13 H 8.648 -2.765 5.847 1.00 . A A . 18 ILE HD13 1 1 10 4997 1 1 18 ILE HG12 H 6.187 -3.163 5.879 1.00 . A A . 18 ILE HG12 1 1 10 4998 1 1 18 ILE HG13 H 6.920 -3.122 4.280 1.00 . A A . 18 ILE HG13 1 1 10 4999 1 1 18 ILE HG21 H 6.179 -0.259 6.406 1.00 . A A . 18 ILE HG21 1 1 10 5000 1 1 18 ILE HG22 H 4.635 -1.097 6.560 1.00 . A A . 18 ILE HG22 1 1 10 5001 1 1 18 ILE HG23 H 4.768 0.323 5.523 1.00 . A A . 18 ILE HG23 1 1 10 5002 1 1 18 ILE N N 4.709 -2.936 2.953 1.00 . A A . 18 ILE N 1 1 10 5003 1 1 18 ILE O O 3.484 -0.373 2.712 1.00 . A A . 18 ILE O 1 1 10 5004 1 1 19 LYS C C 2.034 1.619 4.424 1.00 . A A . 19 LYS C 1 1 10 5005 1 1 19 LYS CA C 1.406 0.228 4.457 1.00 . A A . 19 LYS CA 1 1 10 5006 1 1 19 LYS CB C 0.364 0.172 5.573 1.00 . A A . 19 LYS CB 1 1 10 5007 1 1 19 LYS CD C -1.751 1.162 6.532 1.00 . A A . 19 LYS CD 1 1 10 5008 1 1 19 LYS CE C -1.196 1.186 7.948 1.00 . A A . 19 LYS CE 1 1 10 5009 1 1 19 LYS CG C -0.655 1.301 5.491 1.00 . A A . 19 LYS CG 1 1 10 5010 1 1 19 LYS H H 2.406 -1.331 5.473 1.00 . A A . 19 LYS H 1 1 10 5011 1 1 19 LYS HA H 0.912 0.038 3.515 1.00 . A A . 19 LYS HA 1 1 10 5012 1 1 19 LYS HB2 H -0.163 -0.769 5.515 1.00 . A A . 19 LYS HB2 1 1 10 5013 1 1 19 LYS HB3 H 0.867 0.237 6.526 1.00 . A A . 19 LYS HB3 1 1 10 5014 1 1 19 LYS HD2 H -2.444 1.981 6.414 1.00 . A A . 19 LYS HD2 1 1 10 5015 1 1 19 LYS HD3 H -2.267 0.227 6.373 1.00 . A A . 19 LYS HD3 1 1 10 5016 1 1 19 LYS HE2 H -0.486 0.380 8.057 1.00 . A A . 19 LYS HE2 1 1 10 5017 1 1 19 LYS HE3 H -0.696 2.130 8.108 1.00 . A A . 19 LYS HE3 1 1 10 5018 1 1 19 LYS HG2 H -0.147 2.240 5.648 1.00 . A A . 19 LYS HG2 1 1 10 5019 1 1 19 LYS HG3 H -1.100 1.295 4.508 1.00 . A A . 19 LYS HG3 1 1 10 5020 1 1 19 LYS HZ1 H -1.851 0.992 9.915 1.00 . A A . 19 LYS HZ1 1 1 10 5021 1 1 19 LYS HZ2 H -2.788 0.142 8.796 1.00 . A A . 19 LYS HZ2 1 1 10 5022 1 1 19 LYS HZ3 H -2.929 1.821 8.914 1.00 . A A . 19 LYS HZ3 1 1 10 5023 1 1 19 LYS N N 2.423 -0.794 4.652 1.00 . A A . 19 LYS N 1 1 10 5024 1 1 19 LYS NZ N -2.265 1.025 8.965 1.00 . A A . 19 LYS NZ 1 1 10 5025 1 1 19 LYS O O 2.294 2.218 5.471 1.00 . A A . 19 LYS O 1 1 10 5026 1 1 20 VAL C C 1.792 4.516 3.385 1.00 . A A . 20 VAL C 1 1 10 5027 1 1 20 VAL CA C 2.840 3.457 3.067 1.00 . A A . 20 VAL CA 1 1 10 5028 1 1 20 VAL CB C 3.377 3.683 1.636 1.00 . A A . 20 VAL CB 1 1 10 5029 1 1 20 VAL CG1 C 2.248 3.650 0.613 1.00 . A A . 20 VAL CG1 1 1 10 5030 1 1 20 VAL CG2 C 4.145 4.996 1.551 1.00 . A A . 20 VAL CG2 1 1 10 5031 1 1 20 VAL H H 2.030 1.610 2.433 1.00 . A A . 20 VAL H 1 1 10 5032 1 1 20 VAL HA H 3.661 3.556 3.763 1.00 . A A . 20 VAL HA 1 1 10 5033 1 1 20 VAL HB H 4.060 2.881 1.403 1.00 . A A . 20 VAL HB 1 1 10 5034 1 1 20 VAL HG11 H 1.437 4.278 0.946 1.00 . A A . 20 VAL HG11 1 1 10 5035 1 1 20 VAL HG12 H 1.895 2.636 0.499 1.00 . A A . 20 VAL HG12 1 1 10 5036 1 1 20 VAL HG13 H 2.613 4.009 -0.338 1.00 . A A . 20 VAL HG13 1 1 10 5037 1 1 20 VAL HG21 H 4.817 4.964 0.708 1.00 . A A . 20 VAL HG21 1 1 10 5038 1 1 20 VAL HG22 H 4.712 5.142 2.458 1.00 . A A . 20 VAL HG22 1 1 10 5039 1 1 20 VAL HG23 H 3.451 5.813 1.426 1.00 . A A . 20 VAL HG23 1 1 10 5040 1 1 20 VAL N N 2.264 2.131 3.228 1.00 . A A . 20 VAL N 1 1 10 5041 1 1 20 VAL O O 2.114 5.633 3.793 1.00 . A A . 20 VAL O 1 1 10 5042 1 1 21 GLY C C -1.904 4.351 3.262 1.00 . A A . 21 GLY C 1 1 10 5043 1 1 21 GLY CA C -0.572 5.047 3.445 1.00 . A A . 21 GLY CA 1 1 10 5044 1 1 21 GLY H H 0.348 3.235 2.869 1.00 . A A . 21 GLY H 1 1 10 5045 1 1 21 GLY HA2 H -0.501 5.414 4.459 1.00 . A A . 21 GLY HA2 1 1 10 5046 1 1 21 GLY HA3 H -0.513 5.880 2.762 1.00 . A A . 21 GLY HA3 1 1 10 5047 1 1 21 GLY N N 0.532 4.144 3.190 1.00 . A A . 21 GLY N 1 1 10 5048 1 1 21 GLY O O -2.059 3.194 3.648 1.00 . A A . 21 GLY O 1 1 10 5049 1 1 22 SER C C -4.897 5.132 1.288 1.00 . A A . 22 SER C 1 1 10 5050 1 1 22 SER CA C -4.182 4.448 2.444 1.00 . A A . 22 SER CA 1 1 10 5051 1 1 22 SER CB C -5.021 4.550 3.718 1.00 . A A . 22 SER CB 1 1 10 5052 1 1 22 SER H H -2.696 5.954 2.363 1.00 . A A . 22 SER H 1 1 10 5053 1 1 22 SER HA H -4.044 3.408 2.198 1.00 . A A . 22 SER HA 1 1 10 5054 1 1 22 SER HB2 H -5.294 5.579 3.881 1.00 . A A . 22 SER HB2 1 1 10 5055 1 1 22 SER HB3 H -5.914 3.954 3.606 1.00 . A A . 22 SER HB3 1 1 10 5056 1 1 22 SER HG H -3.602 3.471 4.544 1.00 . A A . 22 SER HG 1 1 10 5057 1 1 22 SER N N -2.868 5.034 2.666 1.00 . A A . 22 SER N 1 1 10 5058 1 1 22 SER O O -4.807 6.347 1.122 1.00 . A A . 22 SER O 1 1 10 5059 1 1 22 SER OG O -4.292 4.077 4.844 1.00 . A A . 22 SER OG 1 1 10 5060 1 1 23 CYS C C -7.769 5.210 -0.242 1.00 . A A . 23 CYS C 1 1 10 5061 1 1 23 CYS CA C -6.339 4.850 -0.651 1.00 . A A . 23 CYS CA 1 1 10 5062 1 1 23 CYS CB C -6.330 3.824 -1.791 1.00 . A A . 23 CYS CB 1 1 10 5063 1 1 23 CYS H H -5.628 3.384 0.691 1.00 . A A . 23 CYS H 1 1 10 5064 1 1 23 CYS HA H -5.842 5.749 -0.987 1.00 . A A . 23 CYS HA 1 1 10 5065 1 1 23 CYS HB2 H -6.869 2.941 -1.482 1.00 . A A . 23 CYS HB2 1 1 10 5066 1 1 23 CYS HB3 H -6.817 4.254 -2.653 1.00 . A A . 23 CYS HB3 1 1 10 5067 1 1 23 CYS N N -5.600 4.340 0.495 1.00 . A A . 23 CYS N 1 1 10 5068 1 1 23 CYS O O -7.976 5.875 0.776 1.00 . A A . 23 CYS O 1 1 10 5069 1 1 23 CYS SG S -4.657 3.302 -2.305 1.00 . A A . 23 CYS SG 1 1 10 5070 1 1 24 PHE C C -10.773 4.084 0.231 1.00 . A A . 24 PHE C 1 1 10 5071 1 1 24 PHE CA C -10.150 5.075 -0.744 1.00 . A A . 24 PHE CA 1 1 10 5072 1 1 24 PHE CB C -10.976 5.086 -2.029 1.00 . A A . 24 PHE CB 1 1 10 5073 1 1 24 PHE CD1 C -9.619 6.530 -3.570 1.00 . A A . 24 PHE CD1 1 1 10 5074 1 1 24 PHE CD2 C -11.805 7.255 -2.953 1.00 . A A . 24 PHE CD2 1 1 10 5075 1 1 24 PHE CE1 C -9.461 7.661 -4.348 1.00 . A A . 24 PHE CE1 1 1 10 5076 1 1 24 PHE CE2 C -11.653 8.387 -3.729 1.00 . A A . 24 PHE CE2 1 1 10 5077 1 1 24 PHE CG C -10.792 6.316 -2.865 1.00 . A A . 24 PHE CG 1 1 10 5078 1 1 24 PHE CZ C -10.479 8.591 -4.427 1.00 . A A . 24 PHE CZ 1 1 10 5079 1 1 24 PHE H H -8.530 4.258 -1.830 1.00 . A A . 24 PHE H 1 1 10 5080 1 1 24 PHE HA H -10.191 6.060 -0.304 1.00 . A A . 24 PHE HA 1 1 10 5081 1 1 24 PHE HB2 H -10.700 4.234 -2.631 1.00 . A A . 24 PHE HB2 1 1 10 5082 1 1 24 PHE HB3 H -12.022 5.011 -1.773 1.00 . A A . 24 PHE HB3 1 1 10 5083 1 1 24 PHE HD1 H -8.823 5.802 -3.509 1.00 . A A . 24 PHE HD1 1 1 10 5084 1 1 24 PHE HD2 H -12.722 7.095 -2.401 1.00 . A A . 24 PHE HD2 1 1 10 5085 1 1 24 PHE HE1 H -8.542 7.817 -4.893 1.00 . A A . 24 PHE HE1 1 1 10 5086 1 1 24 PHE HE2 H -12.452 9.112 -3.790 1.00 . A A . 24 PHE HE2 1 1 10 5087 1 1 24 PHE HZ H -10.358 9.475 -5.034 1.00 . A A . 24 PHE HZ 1 1 10 5088 1 1 24 PHE N N -8.750 4.781 -1.030 1.00 . A A . 24 PHE N 1 1 10 5089 1 1 24 PHE O O -10.268 2.976 0.438 1.00 . A A . 24 PHE O 1 1 10 5090 1 1 25 GLY C C -11.899 3.304 2.963 1.00 . A A . 25 GLY C 1 1 10 5091 1 1 25 GLY CA C -12.662 3.696 1.717 1.00 . A A . 25 GLY CA 1 1 10 5092 1 1 25 GLY H H -12.239 5.393 0.549 1.00 . A A . 25 GLY H 1 1 10 5093 1 1 25 GLY HA2 H -13.540 4.251 2.007 1.00 . A A . 25 GLY HA2 1 1 10 5094 1 1 25 GLY HA3 H -12.976 2.797 1.206 1.00 . A A . 25 GLY HA3 1 1 10 5095 1 1 25 GLY N N -11.901 4.506 0.791 1.00 . A A . 25 GLY N 1 1 10 5096 1 1 25 GLY O O -12.154 3.830 4.050 1.00 . A A . 25 GLY O 1 1 10 5097 1 1 26 PHE C C -9.037 1.021 3.412 1.00 . A A . 26 PHE C 1 1 10 5098 1 1 26 PHE CA C -10.181 1.881 3.923 1.00 . A A . 26 PHE CA 1 1 10 5099 1 1 26 PHE CB C -11.068 1.065 4.869 1.00 . A A . 26 PHE CB 1 1 10 5100 1 1 26 PHE CD1 C -11.437 -0.872 3.297 1.00 . A A . 26 PHE CD1 1 1 10 5101 1 1 26 PHE CD2 C -13.337 0.141 4.323 1.00 . A A . 26 PHE CD2 1 1 10 5102 1 1 26 PHE CE1 C -12.265 -1.758 2.634 1.00 . A A . 26 PHE CE1 1 1 10 5103 1 1 26 PHE CE2 C -14.167 -0.744 3.663 1.00 . A A . 26 PHE CE2 1 1 10 5104 1 1 26 PHE CG C -11.964 0.088 4.152 1.00 . A A . 26 PHE CG 1 1 10 5105 1 1 26 PHE CZ C -13.630 -1.693 2.817 1.00 . A A . 26 PHE CZ 1 1 10 5106 1 1 26 PHE H H -10.838 1.988 1.919 1.00 . A A . 26 PHE H 1 1 10 5107 1 1 26 PHE HA H -9.782 2.729 4.452 1.00 . A A . 26 PHE HA 1 1 10 5108 1 1 26 PHE HB2 H -10.443 0.506 5.548 1.00 . A A . 26 PHE HB2 1 1 10 5109 1 1 26 PHE HB3 H -11.693 1.738 5.435 1.00 . A A . 26 PHE HB3 1 1 10 5110 1 1 26 PHE HD1 H -10.370 -0.928 3.154 1.00 . A A . 26 PHE HD1 1 1 10 5111 1 1 26 PHE HD2 H -13.759 0.882 4.984 1.00 . A A . 26 PHE HD2 1 1 10 5112 1 1 26 PHE HE1 H -11.842 -2.499 1.972 1.00 . A A . 26 PHE HE1 1 1 10 5113 1 1 26 PHE HE2 H -15.234 -0.690 3.808 1.00 . A A . 26 PHE HE2 1 1 10 5114 1 1 26 PHE HZ H -14.279 -2.383 2.299 1.00 . A A . 26 PHE HZ 1 1 10 5115 1 1 26 PHE N N -10.978 2.371 2.809 1.00 . A A . 26 PHE N 1 1 10 5116 1 1 26 PHE O O -8.535 0.142 4.114 1.00 . A A . 26 PHE O 1 1 10 5117 1 1 27 ARG C C -6.197 1.014 2.060 1.00 . A A . 27 ARG C 1 1 10 5118 1 1 27 ARG CA C -7.548 0.529 1.572 1.00 . A A . 27 ARG CA 1 1 10 5119 1 1 27 ARG CB C -7.598 0.659 0.061 1.00 . A A . 27 ARG CB 1 1 10 5120 1 1 27 ARG CD C -8.968 -1.369 -0.431 1.00 . A A . 27 ARG CD 1 1 10 5121 1 1 27 ARG CG C -8.853 0.130 -0.576 1.00 . A A . 27 ARG CG 1 1 10 5122 1 1 27 ARG CZ C -10.311 -3.165 -1.428 1.00 . A A . 27 ARG CZ 1 1 10 5123 1 1 27 ARG H H -9.066 1.994 1.672 1.00 . A A . 27 ARG H 1 1 10 5124 1 1 27 ARG HA H -7.662 -0.512 1.835 1.00 . A A . 27 ARG HA 1 1 10 5125 1 1 27 ARG HB2 H -7.510 1.693 -0.204 1.00 . A A . 27 ARG HB2 1 1 10 5126 1 1 27 ARG HB3 H -6.767 0.119 -0.344 1.00 . A A . 27 ARG HB3 1 1 10 5127 1 1 27 ARG HD2 H -8.040 -1.825 -0.726 1.00 . A A . 27 ARG HD2 1 1 10 5128 1 1 27 ARG HD3 H -9.182 -1.608 0.597 1.00 . A A . 27 ARG HD3 1 1 10 5129 1 1 27 ARG HE H -10.556 -1.204 -1.761 1.00 . A A . 27 ARG HE 1 1 10 5130 1 1 27 ARG HG2 H -9.708 0.594 -0.110 1.00 . A A . 27 ARG HG2 1 1 10 5131 1 1 27 ARG HG3 H -8.834 0.378 -1.627 1.00 . A A . 27 ARG HG3 1 1 10 5132 1 1 27 ARG HH11 H -8.866 -3.810 -0.162 1.00 . A A . 27 ARG HH11 1 1 10 5133 1 1 27 ARG HH12 H -9.820 -5.059 -0.895 1.00 . A A . 27 ARG HH12 1 1 10 5134 1 1 27 ARG HH21 H -11.823 -2.844 -2.735 1.00 . A A . 27 ARG HH21 1 1 10 5135 1 1 27 ARG HH22 H -11.501 -4.508 -2.366 1.00 . A A . 27 ARG HH22 1 1 10 5136 1 1 27 ARG N N -8.629 1.279 2.183 1.00 . A A . 27 ARG N 1 1 10 5137 1 1 27 ARG NE N -10.030 -1.875 -1.271 1.00 . A A . 27 ARG NE 1 1 10 5138 1 1 27 ARG NH1 N -9.609 -4.084 -0.776 1.00 . A A . 27 ARG NH1 1 1 10 5139 1 1 27 ARG NH2 N -11.291 -3.535 -2.240 1.00 . A A . 27 ARG NH2 1 1 10 5140 1 1 27 ARG O O -5.921 2.213 2.055 1.00 . A A . 27 ARG O 1 1 10 5141 1 1 28 SER C C -3.052 0.400 1.718 1.00 . A A . 28 SER C 1 1 10 5142 1 1 28 SER CA C -4.011 0.405 2.898 1.00 . A A . 28 SER CA 1 1 10 5143 1 1 28 SER CB C -3.559 -0.591 3.972 1.00 . A A . 28 SER CB 1 1 10 5144 1 1 28 SER H H -5.620 -0.862 2.393 1.00 . A A . 28 SER H 1 1 10 5145 1 1 28 SER HA H -4.035 1.397 3.325 1.00 . A A . 28 SER HA 1 1 10 5146 1 1 28 SER HB2 H -3.907 -0.253 4.933 1.00 . A A . 28 SER HB2 1 1 10 5147 1 1 28 SER HB3 H -3.978 -1.562 3.759 1.00 . A A . 28 SER HB3 1 1 10 5148 1 1 28 SER HG H -1.905 -1.144 4.854 1.00 . A A . 28 SER HG 1 1 10 5149 1 1 28 SER N N -5.348 0.080 2.443 1.00 . A A . 28 SER N 1 1 10 5150 1 1 28 SER O O -2.841 -0.632 1.079 1.00 . A A . 28 SER O 1 1 10 5151 1 1 28 SER OG O -2.150 -0.703 4.032 1.00 . A A . 28 SER OG 1 1 10 5152 1 1 29 CYS C C -0.233 0.981 0.770 1.00 . A A . 29 CYS C 1 1 10 5153 1 1 29 CYS CA C -1.520 1.656 0.344 1.00 . A A . 29 CYS CA 1 1 10 5154 1 1 29 CYS CB C -1.268 3.119 -0.013 1.00 . A A . 29 CYS CB 1 1 10 5155 1 1 29 CYS H H -2.659 2.335 1.983 1.00 . A A . 29 CYS H 1 1 10 5156 1 1 29 CYS HA H -1.929 1.140 -0.512 1.00 . A A . 29 CYS HA 1 1 10 5157 1 1 29 CYS HB2 H -2.215 3.629 -0.104 1.00 . A A . 29 CYS HB2 1 1 10 5158 1 1 29 CYS HB3 H -0.690 3.581 0.774 1.00 . A A . 29 CYS HB3 1 1 10 5159 1 1 29 CYS N N -2.465 1.550 1.435 1.00 . A A . 29 CYS N 1 1 10 5160 1 1 29 CYS O O 0.392 1.396 1.745 1.00 . A A . 29 CYS O 1 1 10 5161 1 1 29 CYS SG S -0.363 3.348 -1.574 1.00 . A A . 29 CYS SG 1 1 10 5162 1 1 30 CYS C C 2.490 -0.526 -0.505 1.00 . A A . 30 CYS C 1 1 10 5163 1 1 30 CYS CA C 1.323 -0.833 0.426 1.00 . A A . 30 CYS CA 1 1 10 5164 1 1 30 CYS CB C 0.997 -2.321 0.411 1.00 . A A . 30 CYS CB 1 1 10 5165 1 1 30 CYS H H -0.424 -0.385 -0.669 1.00 . A A . 30 CYS H 1 1 10 5166 1 1 30 CYS HA H 1.605 -0.557 1.428 1.00 . A A . 30 CYS HA 1 1 10 5167 1 1 30 CYS HB2 H 1.777 -2.858 0.915 1.00 . A A . 30 CYS HB2 1 1 10 5168 1 1 30 CYS HB3 H 0.075 -2.471 0.944 1.00 . A A . 30 CYS HB3 1 1 10 5169 1 1 30 CYS N N 0.135 -0.079 0.078 1.00 . A A . 30 CYS N 1 1 10 5170 1 1 30 CYS O O 2.303 -0.253 -1.693 1.00 . A A . 30 CYS O 1 1 10 5171 1 1 30 CYS SG S 0.794 -3.036 -1.257 1.00 . A A . 30 CYS SG 1 1 10 5172 1 1 31 LYS C C 6.006 -1.263 -0.180 1.00 . A A . 31 LYS C 1 1 10 5173 1 1 31 LYS CA C 4.919 -0.320 -0.680 1.00 . A A . 31 LYS CA 1 1 10 5174 1 1 31 LYS CB C 5.347 1.143 -0.514 1.00 . A A . 31 LYS CB 1 1 10 5175 1 1 31 LYS CD C 4.521 1.956 -2.741 1.00 . A A . 31 LYS CD 1 1 10 5176 1 1 31 LYS CE C 3.767 3.051 -3.479 1.00 . A A . 31 LYS CE 1 1 10 5177 1 1 31 LYS CG C 4.437 2.128 -1.232 1.00 . A A . 31 LYS CG 1 1 10 5178 1 1 31 LYS H H 3.758 -0.803 1.006 1.00 . A A . 31 LYS H 1 1 10 5179 1 1 31 LYS HA H 4.734 -0.522 -1.725 1.00 . A A . 31 LYS HA 1 1 10 5180 1 1 31 LYS HB2 H 5.347 1.388 0.537 1.00 . A A . 31 LYS HB2 1 1 10 5181 1 1 31 LYS HB3 H 6.348 1.266 -0.903 1.00 . A A . 31 LYS HB3 1 1 10 5182 1 1 31 LYS HD2 H 5.558 1.987 -3.040 1.00 . A A . 31 LYS HD2 1 1 10 5183 1 1 31 LYS HD3 H 4.097 0.999 -3.009 1.00 . A A . 31 LYS HD3 1 1 10 5184 1 1 31 LYS HE2 H 3.677 2.764 -4.515 1.00 . A A . 31 LYS HE2 1 1 10 5185 1 1 31 LYS HE3 H 2.782 3.146 -3.046 1.00 . A A . 31 LYS HE3 1 1 10 5186 1 1 31 LYS HG2 H 3.419 1.954 -0.918 1.00 . A A . 31 LYS HG2 1 1 10 5187 1 1 31 LYS HG3 H 4.729 3.131 -0.973 1.00 . A A . 31 LYS HG3 1 1 10 5188 1 1 31 LYS HZ1 H 4.147 4.983 -4.176 1.00 . A A . 31 LYS HZ1 1 1 10 5189 1 1 31 LYS HZ2 H 5.489 4.235 -3.476 1.00 . A A . 31 LYS HZ2 1 1 10 5190 1 1 31 LYS HZ3 H 4.249 4.837 -2.496 1.00 . A A . 31 LYS HZ3 1 1 10 5191 1 1 31 LYS N N 3.692 -0.577 0.054 1.00 . A A . 31 LYS N 1 1 10 5192 1 1 31 LYS NZ N 4.461 4.366 -3.398 1.00 . A A . 31 LYS NZ 1 1 10 5193 1 1 31 LYS O O 6.064 -1.580 1.011 1.00 . A A . 31 LYS O 1 1 10 5194 1 1 32 TRP C C 8.745 -2.173 0.402 1.00 . A A . 32 TRP C 1 1 10 5195 1 1 32 TRP CA C 7.890 -2.685 -0.755 1.00 . A A . 32 TRP CA 1 1 10 5196 1 1 32 TRP CB C 8.763 -2.972 -1.978 1.00 . A A . 32 TRP CB 1 1 10 5197 1 1 32 TRP CD1 C 7.195 -2.925 -4.006 1.00 . A A . 32 TRP CD1 1 1 10 5198 1 1 32 TRP CD2 C 7.944 -4.966 -3.467 1.00 . A A . 32 TRP CD2 1 1 10 5199 1 1 32 TRP CE2 C 7.102 -5.078 -4.590 1.00 . A A . 32 TRP CE2 1 1 10 5200 1 1 32 TRP CE3 C 8.530 -6.122 -2.946 1.00 . A A . 32 TRP CE3 1 1 10 5201 1 1 32 TRP CG C 7.999 -3.578 -3.116 1.00 . A A . 32 TRP CG 1 1 10 5202 1 1 32 TRP CH2 C 7.418 -7.417 -4.667 1.00 . A A . 32 TRP CH2 1 1 10 5203 1 1 32 TRP CZ2 C 6.833 -6.302 -5.199 1.00 . A A . 32 TRP CZ2 1 1 10 5204 1 1 32 TRP CZ3 C 8.260 -7.335 -3.550 1.00 . A A . 32 TRP CZ3 1 1 10 5205 1 1 32 TRP H H 6.715 -1.478 -2.031 1.00 . A A . 32 TRP H 1 1 10 5206 1 1 32 TRP HA H 7.416 -3.602 -0.448 1.00 . A A . 32 TRP HA 1 1 10 5207 1 1 32 TRP HB2 H 9.203 -2.048 -2.324 1.00 . A A . 32 TRP HB2 1 1 10 5208 1 1 32 TRP HB3 H 9.549 -3.657 -1.699 1.00 . A A . 32 TRP HB3 1 1 10 5209 1 1 32 TRP HD1 H 7.024 -1.859 -4.002 1.00 . A A . 32 TRP HD1 1 1 10 5210 1 1 32 TRP HE1 H 6.060 -3.591 -5.644 1.00 . A A . 32 TRP HE1 1 1 10 5211 1 1 32 TRP HE3 H 9.179 -6.078 -2.085 1.00 . A A . 32 TRP HE3 1 1 10 5212 1 1 32 TRP HH2 H 7.235 -8.387 -5.106 1.00 . A A . 32 TRP HH2 1 1 10 5213 1 1 32 TRP HZ2 H 6.187 -6.381 -6.061 1.00 . A A . 32 TRP HZ2 1 1 10 5214 1 1 32 TRP HZ3 H 8.703 -8.240 -3.159 1.00 . A A . 32 TRP HZ3 1 1 10 5215 1 1 32 TRP N N 6.832 -1.744 -1.096 1.00 . A A . 32 TRP N 1 1 10 5216 1 1 32 TRP NE1 N 6.663 -3.820 -4.901 1.00 . A A . 32 TRP NE1 1 1 10 5217 1 1 32 TRP O O 9.232 -1.043 0.373 1.00 . A A . 32 TRP O 1 1 10 5218 1 1 33 PRO C C 11.082 -2.056 2.214 1.00 . A A . 33 PRO C 1 1 10 5219 1 1 33 PRO CA C 9.740 -2.652 2.608 1.00 . A A . 33 PRO CA 1 1 10 5220 1 1 33 PRO CB C 9.942 -3.988 3.326 1.00 . A A . 33 PRO CB 1 1 10 5221 1 1 33 PRO CD C 8.397 -4.380 1.535 1.00 . A A . 33 PRO CD 1 1 10 5222 1 1 33 PRO CG C 8.777 -4.822 2.922 1.00 . A A . 33 PRO CG 1 1 10 5223 1 1 33 PRO HA H 9.214 -1.965 3.254 1.00 . A A . 33 PRO HA 1 1 10 5224 1 1 33 PRO HB2 H 10.873 -4.433 3.008 1.00 . A A . 33 PRO HB2 1 1 10 5225 1 1 33 PRO HB3 H 9.960 -3.827 4.393 1.00 . A A . 33 PRO HB3 1 1 10 5226 1 1 33 PRO HD2 H 8.847 -5.025 0.798 1.00 . A A . 33 PRO HD2 1 1 10 5227 1 1 33 PRO HD3 H 7.324 -4.376 1.424 1.00 . A A . 33 PRO HD3 1 1 10 5228 1 1 33 PRO HG2 H 9.059 -5.865 2.917 1.00 . A A . 33 PRO HG2 1 1 10 5229 1 1 33 PRO HG3 H 7.957 -4.661 3.605 1.00 . A A . 33 PRO HG3 1 1 10 5230 1 1 33 PRO N N 8.941 -3.012 1.435 1.00 . A A . 33 PRO N 1 1 10 5231 1 1 33 PRO O O 11.564 -1.107 2.831 1.00 . A A . 33 PRO O 1 1 10 5232 1 1 34 TRP C C 12.913 -0.668 0.400 1.00 . A A . 34 TRP C 1 1 10 5233 1 1 34 TRP CA C 12.963 -2.162 0.688 1.00 . A A . 34 TRP CA 1 1 10 5234 1 1 34 TRP CB C 13.371 -2.922 -0.577 1.00 . A A . 34 TRP CB 1 1 10 5235 1 1 34 TRP CD1 C 14.831 -4.967 -0.297 1.00 . A A . 34 TRP CD1 1 1 10 5236 1 1 34 TRP CD2 C 12.649 -5.432 -0.226 1.00 . A A . 34 TRP CD2 1 1 10 5237 1 1 34 TRP CE2 C 13.370 -6.630 -0.052 1.00 . A A . 34 TRP CE2 1 1 10 5238 1 1 34 TRP CE3 C 11.251 -5.487 -0.222 1.00 . A A . 34 TRP CE3 1 1 10 5239 1 1 34 TRP CG C 13.617 -4.379 -0.363 1.00 . A A . 34 TRP CG 1 1 10 5240 1 1 34 TRP CH2 C 11.379 -7.883 0.122 1.00 . A A . 34 TRP CH2 1 1 10 5241 1 1 34 TRP CZ2 C 12.745 -7.860 0.123 1.00 . A A . 34 TRP CZ2 1 1 10 5242 1 1 34 TRP CZ3 C 10.633 -6.713 -0.050 1.00 . A A . 34 TRP CZ3 1 1 10 5243 1 1 34 TRP H H 11.242 -3.374 0.736 1.00 . A A . 34 TRP H 1 1 10 5244 1 1 34 TRP HA H 13.696 -2.344 1.459 1.00 . A A . 34 TRP HA 1 1 10 5245 1 1 34 TRP HB2 H 12.601 -2.829 -1.313 1.00 . A A . 34 TRP HB2 1 1 10 5246 1 1 34 TRP HB3 H 14.281 -2.487 -0.965 1.00 . A A . 34 TRP HB3 1 1 10 5247 1 1 34 TRP HD1 H 15.755 -4.426 -0.380 1.00 . A A . 34 TRP HD1 1 1 10 5248 1 1 34 TRP HE1 H 15.442 -6.955 0.000 1.00 . A A . 34 TRP HE1 1 1 10 5249 1 1 34 TRP HE3 H 10.657 -4.599 -0.358 1.00 . A A . 34 TRP HE3 1 1 10 5250 1 1 34 TRP HH2 H 10.852 -8.816 0.251 1.00 . A A . 34 TRP HH2 1 1 10 5251 1 1 34 TRP HZ2 H 13.306 -8.773 0.256 1.00 . A A . 34 TRP HZ2 1 1 10 5252 1 1 34 TRP HZ3 H 9.554 -6.774 -0.046 1.00 . A A . 34 TRP HZ3 1 1 10 5253 1 1 34 TRP N N 11.678 -2.625 1.179 1.00 . A A . 34 TRP N 1 1 10 5254 1 1 34 TRP NE1 N 14.701 -6.316 -0.094 1.00 . A A . 34 TRP NE1 1 1 10 5255 1 1 34 TRP O O 13.885 0.053 0.634 1.00 . A A . 34 TRP O 1 1 10 5256 1 1 35 ASN C C 10.974 1.942 0.743 1.00 . A A . 35 ASN C 1 1 10 5257 1 1 35 ASN CA C 11.593 1.200 -0.431 1.00 . A A . 35 ASN CA 1 1 10 5258 1 1 35 ASN CB C 10.707 1.365 -1.672 1.00 . A A . 35 ASN CB 1 1 10 5259 1 1 35 ASN CG C 11.298 0.715 -2.906 1.00 . A A . 35 ASN CG 1 1 10 5260 1 1 35 ASN H H 11.039 -0.835 -0.269 1.00 . A A . 35 ASN H 1 1 10 5261 1 1 35 ASN HA H 12.564 1.624 -0.637 1.00 . A A . 35 ASN HA 1 1 10 5262 1 1 35 ASN HB2 H 9.745 0.914 -1.479 1.00 . A A . 35 ASN HB2 1 1 10 5263 1 1 35 ASN HB3 H 10.571 2.417 -1.870 1.00 . A A . 35 ASN HB3 1 1 10 5264 1 1 35 ASN HD21 H 11.788 2.492 -3.637 1.00 . A A . 35 ASN HD21 1 1 10 5265 1 1 35 ASN HD22 H 12.211 1.132 -4.615 1.00 . A A . 35 ASN HD22 1 1 10 5266 1 1 35 ASN N N 11.778 -0.210 -0.109 1.00 . A A . 35 ASN N 1 1 10 5267 1 1 35 ASN ND2 N 11.815 1.527 -3.812 1.00 . A A . 35 ASN ND2 1 1 10 5268 1 1 35 ASN O O 10.154 2.842 0.561 1.00 . A A . 35 ASN O 1 1 10 5269 1 1 35 ASN OD1 O 11.295 -0.511 -3.043 1.00 . A A . 35 ASN OD1 1 1 10 5270 1 1 36 ALA C C 11.957 2.327 4.188 1.00 . A A . 36 ALA C 1 1 10 5271 1 1 36 ALA CA C 10.858 2.204 3.147 1.00 . A A . 36 ALA CA 1 1 10 5272 1 1 36 ALA CB C 9.680 1.416 3.703 1.00 . A A . 36 ALA CB 1 1 10 5273 1 1 36 ALA H H 12.033 0.850 2.036 1.00 . A A . 36 ALA H 1 1 10 5274 1 1 36 ALA HA H 10.511 3.193 2.884 1.00 . A A . 36 ALA HA 1 1 10 5275 1 1 36 ALA HB1 H 8.985 1.197 2.905 1.00 . A A . 36 ALA HB1 1 1 10 5276 1 1 36 ALA HB2 H 9.183 1.998 4.463 1.00 . A A . 36 ALA HB2 1 1 10 5277 1 1 36 ALA HB3 H 10.036 0.491 4.133 1.00 . A A . 36 ALA HB3 1 1 10 5278 1 1 36 ALA N N 11.373 1.571 1.947 1.00 . A A . 36 ALA N 1 1 10 5279 1 1 36 ALA O O 12.873 1.484 4.188 1.00 . A A . 36 ALA O 1 1 10 5280 1 1 36 ALA OXT O 11.912 3.277 4.996 1.00 . A A . 36 ALA OXT 1 1 stop_ save_
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