NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
641703 | 6gig | 34271 | cing | 4-filtered-FRED | STAR | entry | full | 291 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6gig # This FRED archive file contains, for PDB entry <6gig>: # # - 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_6gig _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6gig _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 3471.32 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 $AapA1 A . 1 1 stop_ save_ save_AapA1 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name AapA1 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MATKHGKNSWKTLYLKISFLGCKVVVLLKR _Entity.Number_of_monomers 30 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 MET . 1 1 2 ALA . 1 1 3 THR . 1 1 4 LYS . 1 1 5 HIS . 1 1 6 GLY . 1 1 7 LYS . 1 1 8 ASN . 1 1 9 SER . 1 1 10 TRP . 1 1 11 LYS . 1 1 12 THR . 1 1 13 LEU . 1 1 14 TYR . 1 1 15 LEU . 1 1 16 LYS . 1 1 17 ILE . 1 1 18 SER . 1 1 19 PHE . 1 1 20 LEU . 1 1 21 GLY . 1 1 22 CYS . 1 1 23 LYS . 1 1 24 VAL . 1 1 25 VAL . 1 1 26 VAL . 1 1 27 LEU . 1 1 28 LEU . 1 1 29 LYS . 1 1 30 ARG . 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 MET 1 1 1 1 ALA 2 2 1 1 THR 3 3 1 1 LYS 4 4 1 1 HIS 5 5 1 1 GLY 6 6 1 1 LYS 7 7 1 1 ASN 8 8 1 1 SER 9 9 1 1 TRP 10 10 1 1 LYS 11 11 1 1 THR 12 12 1 1 LEU 13 13 1 1 TYR 14 14 1 1 LEU 15 15 1 1 LYS 16 16 1 1 ILE 17 17 1 1 SER 18 18 1 1 PHE 19 19 1 1 LEU 20 20 1 1 GLY 21 21 1 1 CYS 22 22 1 1 LYS 23 23 1 1 VAL 24 24 1 1 VAL 25 25 1 1 VAL 26 26 1 1 LEU 27 27 1 1 LEU 28 28 1 1 LYS 29 29 1 1 ARG 30 30 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 197 1 . . . 1 1 198 1 . . . 1 1 199 1 . . . 1 1 200 1 . . . 1 1 201 1 . . . 1 1 202 1 . . . 1 1 203 1 . . . 1 1 204 1 . . . 1 1 205 1 . . . 1 1 206 1 . . . 1 1 207 1 . . . 1 1 208 1 . . . 1 1 209 1 . . . 1 1 210 1 . . . 1 1 211 1 . . . 1 1 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 16 LYS HB2 . 16 LYS+ HB3 1 1 1 1 2 1 1 17 ILE H . 17 ILE H 1 1 2 1 1 1 1 16 LYS HB3 . 16 LYS+ HB2 1 1 2 1 2 1 1 17 ILE H . 17 ILE H 1 1 3 1 1 1 1 14 TYR HA . 14 TYR HA 1 1 3 1 2 1 1 17 ILE H . 17 ILE H 1 1 4 1 1 1 1 16 LYS HA . 16 LYS+ HA 1 1 4 1 2 1 1 17 ILE H . 17 ILE H 1 1 5 1 1 1 1 7 LYS HA . 7 LYS+ HA 1 1 5 1 2 1 1 8 ASN H . 8 ASN H 1 1 6 1 1 1 1 8 ASN H . 8 ASN H 1 1 6 1 2 1 1 9 SER H . 9 SER H 1 1 7 1 1 1 1 17 ILE H . 17 ILE H 1 1 7 1 2 1 1 18 SER H . 18 SER H 1 1 8 1 1 1 1 16 LYS H . 16 LYS+ H 1 1 8 1 2 1 1 17 ILE H . 17 ILE H 1 1 9 1 1 1 1 4 LYS HA . 4 LYS+ HA 1 1 9 1 2 1 1 5 HIS H . 5 HIS+ H 1 1 10 1 1 1 1 4 LYS HB2 . 4 LYS+ HB2 1 1 10 1 2 1 1 5 HIS H . 5 HIS+ H 1 1 11 1 1 1 1 4 LYS HB3 . 4 LYS+ HB3 1 1 11 1 2 1 1 5 HIS H . 5 HIS+ H 1 1 12 1 1 1 1 5 HIS HB2 . 5 HIS+ HB2 1 1 12 1 2 1 1 6 GLY H . 6 GLY H 1 1 13 1 1 1 1 6 GLY HA2 . 6 GLY HA2 1 1 13 1 2 1 1 7 LYS H . 7 LYS+ H 1 1 14 1 1 1 1 6 GLY HA3 . 6 GLY HA3 1 1 14 1 2 1 1 7 LYS H . 7 LYS+ H 1 1 15 1 1 1 1 20 LEU H . 20 LEU H 1 1 15 1 2 1 1 21 GLY H . 21 GLY H 1 1 16 1 1 1 1 20 LEU HG . 20 LEU HG 1 1 16 1 2 1 1 21 GLY H . 21 GLY H 1 1 17 1 1 1 1 3 THR HA . 3 THR HA 1 1 17 1 2 1 1 4 LYS H . 4 LYS+ H 1 1 18 1 1 1 1 3 THR HB . 3 THR HB 1 1 18 1 2 1 1 4 LYS H . 4 LYS+ H 1 1 19 1 1 1 1 3 THR MG . 3 THR QG2 1 1 19 1 2 1 1 4 LYS H . 4 LYS+ H 1 1 20 1 1 1 1 9 SER H . 9 SER H 1 1 20 1 2 1 1 10 TRP H . 10 TRP H 1 1 21 1 1 1 1 19 PHE HA . 19 PHE HA 1 1 21 1 2 1 1 20 LEU H . 20 LEU H 1 1 22 1 1 1 1 19 PHE QD . 19 PHE QD 1 1 22 1 2 1 1 20 LEU H . 20 LEU H 1 1 23 1 1 1 1 16 LYS HA . 16 LYS+ HA 1 1 23 1 2 1 1 20 LEU H . 20 LEU H 1 1 24 1 1 1 1 17 ILE HA . 17 ILE HA 1 1 24 1 2 1 1 20 LEU H . 20 LEU H 1 1 25 1 1 1 1 10 TRP HA . 10 TRP HA 1 1 25 1 2 1 1 14 TYR H . 14 TYR H 1 1 26 1 1 1 1 11 LYS HA . 11 LYS+ HA 1 1 26 1 2 1 1 14 TYR H . 14 TYR H 1 1 27 1 1 1 1 13 LEU HG . 13 LEU HG 1 1 27 1 2 1 1 14 TYR H . 14 TYR H 1 1 28 1 1 1 1 13 LEU QD . 13 LEU QQD 1 1 28 1 2 1 1 14 TYR H . 14 TYR H 1 1 29 1 1 1 1 14 TYR QD . 14 TYR QD 1 1 29 1 2 1 1 15 LEU H . 15 LEU H 1 1 30 1 1 1 1 15 LEU H . 15 LEU H 1 1 30 1 2 1 1 16 LYS H . 16 LYS+ H 1 1 31 1 1 1 1 11 LYS HA . 11 LYS+ HA 1 1 31 1 2 1 1 15 LEU H . 15 LEU H 1 1 32 1 1 1 1 14 TYR HB3 . 14 TYR HB3 1 1 32 1 2 1 1 15 LEU H . 15 LEU H 1 1 33 1 1 1 1 14 TYR HB2 . 14 TYR HB2 1 1 33 1 2 1 1 15 LEU H . 15 LEU H 1 1 34 1 1 1 1 13 LEU H . 13 LEU H 1 1 34 1 2 1 1 14 TYR H . 14 TYR H 1 1 35 1 1 1 1 16 LYS HA . 16 LYS+ HA 1 1 35 1 2 1 1 19 PHE H . 19 PHE H 1 1 36 1 1 1 1 14 TYR HA . 14 TYR HA 1 1 36 1 2 1 1 15 LEU H . 15 LEU H 1 1 37 1 1 1 1 15 LEU HA . 15 LEU HA 1 1 37 1 2 1 1 18 SER H . 18 SER H 1 1 38 1 1 1 1 17 ILE HA . 17 ILE HA 1 1 38 1 2 1 1 18 SER H . 18 SER H 1 1 39 1 1 1 1 17 ILE HB . 17 ILE HB 1 1 39 1 2 1 1 18 SER H . 18 SER H 1 1 40 1 1 1 1 17 ILE MG . 17 ILE QG2 1 1 40 1 2 1 1 18 SER H . 18 SER H 1 1 41 1 1 1 1 2 ALA HA . 2 ALA HA 1 1 41 1 2 1 1 3 THR H . 3 THR H 1 1 42 1 1 1 1 2 ALA MB . 2 ALA QB 1 1 42 1 2 1 1 3 THR H . 3 THR H 1 1 43 1 1 1 1 9 SER HA . 9 SER HA 1 1 43 1 2 1 1 10 TRP H . 10 TRP H 1 1 44 1 1 1 1 10 TRP H . 10 TRP H 1 1 44 1 2 1 1 11 LYS H . 11 LYS+ H 1 1 45 1 1 1 1 9 SER HB2 . 9 SER HB2 1 1 45 1 2 1 1 10 TRP H . 10 TRP H 1 1 46 1 1 1 1 9 SER HB3 . 9 SER HB3 1 1 46 1 2 1 1 10 TRP H . 10 TRP H 1 1 47 1 1 1 1 27 LEU HA . 27 LEU HA 1 1 47 1 2 1 1 28 LEU H . 28 LEU H 1 1 48 1 1 1 1 27 LEU H . 27 LEU H 1 1 48 1 2 1 1 28 LEU H . 28 LEU H 1 1 49 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 49 1 2 1 1 28 LEU H . 28 LEU H 1 1 50 1 1 1 1 19 PHE HA . 19 PHE HA 1 1 50 1 2 1 1 22 CYS H . 22 CYS H 1 1 51 1 1 1 1 13 LEU HA . 13 LEU HA 1 1 51 1 2 1 1 16 LYS H . 16 LYS+ H 1 1 52 1 1 1 1 15 LEU HA . 15 LEU HA 1 1 52 1 2 1 1 16 LYS H . 16 LYS+ H 1 1 53 1 1 1 1 21 GLY QA . 21 GLY HA3 1 1 53 1 2 1 1 22 CYS H . 22 CYS H 1 1 54 1 1 1 1 26 VAL HA . 26 VAL HA 1 1 54 1 2 1 1 29 LYS H . 29 LYS+ H 1 1 55 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 55 1 2 1 1 29 LYS H . 29 LYS+ H 1 1 56 1 1 1 1 22 CYS HA . 22 CYS HA 1 1 56 1 2 1 1 23 LYS H . 23 LYS+ H 1 1 57 1 1 1 1 22 CYS QB . 22 CYS HB2 1 1 57 1 2 1 1 23 LYS H . 23 LYS+ H 1 1 58 1 1 1 1 23 LYS H . 23 LYS+ H 1 1 58 1 2 1 1 24 VAL QG . 24 VAL QG1 1 1 59 1 1 1 1 24 VAL H . 24 VAL H 1 1 59 1 2 1 1 25 VAL H . 25 VAL H 1 1 60 1 1 1 1 22 CYS HA . 22 CYS HA 1 1 60 1 2 1 1 24 VAL H . 24 VAL H 1 1 61 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 61 1 2 1 1 24 VAL H . 24 VAL H 1 1 62 1 1 1 1 26 VAL H . 26 VAL H 1 1 62 1 2 1 1 27 LEU H . 27 LEU H 1 1 63 1 1 1 1 10 TRP HA . 10 TRP HA 1 1 63 1 2 1 1 11 LYS H . 11 LYS+ H 1 1 64 1 1 1 1 10 TRP HB2 . 10 TRP HB2 1 1 64 1 2 1 1 11 LYS H . 11 LYS+ H 1 1 65 1 1 1 1 10 TRP HB3 . 10 TRP HB3 1 1 65 1 2 1 1 11 LYS H . 11 LYS+ H 1 1 66 1 1 1 1 9 SER HA . 9 SER HA 1 1 66 1 2 1 1 12 THR H . 12 THR H 1 1 67 1 1 1 1 12 THR H . 12 THR H 1 1 67 1 2 1 1 13 LEU QD . 13 LEU QQD 1 1 68 1 1 1 1 24 VAL HA . 24 VAL HA 1 1 68 1 2 1 1 25 VAL H . 25 VAL H 1 1 69 1 1 1 1 10 TRP HA . 10 TRP HA 1 1 69 1 2 1 1 13 LEU H . 13 LEU H 1 1 70 1 1 1 1 12 THR HA . 12 THR HA 1 1 70 1 2 1 1 13 LEU H . 13 LEU H 1 1 71 1 1 1 1 12 THR HB . 12 THR HB 1 1 71 1 2 1 1 13 LEU H . 13 LEU H 1 1 72 1 1 1 1 12 THR MG . 12 THR QG2 1 1 72 1 2 1 1 13 LEU H . 13 LEU H 1 1 73 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 73 1 2 1 1 26 VAL H . 26 VAL H 1 1 74 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 74 1 2 1 1 26 VAL H . 26 VAL H 1 1 75 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 75 1 2 1 1 14 TYR HB3 . 14 TYR HB3 1 1 76 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 76 1 2 1 1 14 TYR HB2 . 14 TYR HB2 1 1 77 1 1 1 1 9 SER HA . 9 SER HA 1 1 77 1 2 1 1 10 TRP HD1 . 10 TRP HD1 1 1 78 1 1 1 1 10 TRP HD1 . 10 TRP HD1 1 1 78 1 2 1 1 11 LYS QG . 11 LYS+ HG3 1 1 79 1 1 1 1 16 LYS HA . 16 LYS+ HA 1 1 79 1 2 1 1 19 PHE QD . 19 PHE QD 1 1 80 1 1 1 1 19 PHE QD . 19 PHE QD 1 1 80 1 2 1 1 22 CYS QB . 22 CYS HB2 1 1 81 1 1 1 1 14 TYR QD . 14 TYR QD 1 1 81 1 2 1 1 15 LEU HA . 15 LEU HA 1 1 82 1 1 1 1 11 LYS HA . 11 LYS+ HA 1 1 82 1 2 1 1 14 TYR QD . 14 TYR QD 1 1 83 1 1 1 1 14 TYR QD . 14 TYR QD 1 1 83 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 84 1 1 1 1 14 TYR QD . 14 TYR QD 1 1 84 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 85 1 1 1 1 14 TYR QD . 14 TYR QD 1 1 85 1 2 1 1 17 ILE MD . 17 ILE QD1 1 1 86 1 1 1 1 14 TYR QE . 14 TYR QE 1 1 86 1 2 1 1 15 LEU HA . 15 LEU HA 1 1 87 1 1 1 1 14 TYR QE . 14 TYR QE 1 1 87 1 2 1 1 18 SER HB2 . 18 SER HB2 1 1 88 1 1 1 1 14 TYR QE . 14 TYR QE 1 1 88 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 89 1 1 1 1 14 TYR QE . 14 TYR QE 1 1 89 1 2 1 1 15 LEU QB . 15 LEU HB2 1 1 90 1 1 1 1 14 TYR QE . 14 TYR QE 1 1 90 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 91 1 1 1 1 14 TYR QE . 14 TYR QE 1 1 91 1 2 1 1 17 ILE MD . 17 ILE QD1 1 1 92 1 1 1 1 10 TRP HZ3 . 10 TRP HZ3 1 1 92 1 2 1 1 14 TYR HB3 . 14 TYR HB3 1 1 93 1 1 1 1 10 TRP HZ3 . 10 TRP HZ3 1 1 93 1 2 1 1 14 TYR HB2 . 14 TYR HB2 1 1 94 1 1 1 1 11 LYS HA . 11 LYS+ HA 1 1 94 1 2 1 1 14 TYR HB2 . 14 TYR HB2 1 1 95 1 1 1 1 10 TRP HZ3 . 10 TRP HZ3 1 1 95 1 2 1 1 13 LEU QD . 13 LEU QQD 1 1 96 1 1 1 1 24 VAL HA . 24 VAL HA 1 1 96 1 2 1 1 28 LEU H . 28 LEU H 1 1 97 1 1 1 1 10 TRP HD1 . 10 TRP HD1 1 1 97 1 2 1 1 11 LYS H . 11 LYS+ H 1 1 98 1 1 1 1 10 TRP HA . 10 TRP HA 1 1 98 1 2 1 1 13 LEU HG . 13 LEU HG 1 1 99 1 1 1 1 19 PHE HA . 19 PHE HA 1 1 99 1 2 1 1 22 CYS QB . 22 CYS HB3 1 1 100 1 1 1 1 24 VAL HA . 24 VAL HA 1 1 100 1 2 1 1 27 LEU HB3 . 27 LEU HB3 1 1 101 1 1 1 1 24 VAL HA . 24 VAL HA 1 1 101 1 2 1 1 27 LEU HB2 . 27 LEU HB2 1 1 102 1 1 1 1 24 VAL HA . 24 VAL HA 1 1 102 1 2 1 1 27 LEU HG . 27 LEU HG 1 1 103 1 1 1 1 4 LYS HA . 4 LYS+ HA 1 1 103 1 2 1 1 5 HIS HB3 . 5 HIS+ HB3 1 1 104 1 1 1 1 4 LYS HA . 4 LYS+ HA 1 1 104 1 2 1 1 5 HIS HB2 . 5 HIS+ HB2 1 1 105 1 1 1 1 13 LEU HA . 13 LEU HA 1 1 105 1 2 1 1 16 LYS HB2 . 16 LYS+ HB3 1 1 106 1 1 1 1 23 LYS H . 23 LYS+ H 1 1 106 1 2 1 1 24 VAL HA . 24 VAL HA 1 1 107 1 1 1 1 17 ILE MD . 17 ILE QD1 1 1 107 1 2 1 1 18 SER H . 18 SER H 1 1 108 1 1 1 1 28 LEU QD . 28 LEU QQD 1 1 108 1 2 1 1 29 LYS H . 29 LYS+ H 1 1 109 1 1 1 1 21 GLY H . 21 GLY H 1 1 109 1 2 1 1 22 CYS H . 22 CYS H 1 1 110 1 1 1 1 28 LEU H . 28 LEU H 1 1 110 1 2 1 1 29 LYS H . 29 LYS+ H 1 1 111 1 1 1 1 22 CYS H . 22 CYS H 1 1 111 1 2 1 1 25 VAL QG . 25 VAL QG1 1 1 112 1 1 1 1 28 LEU HG . 28 LEU HG 1 1 112 1 2 1 1 29 LYS H . 29 LYS+ H 1 1 113 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 113 1 2 1 1 28 LEU HG . 28 LEU HG 1 1 114 1 1 1 1 27 LEU HB3 . 27 LEU HB3 1 1 114 1 2 1 1 28 LEU H . 28 LEU H 1 1 115 1 1 1 1 15 LEU QB . 15 LEU HB3 1 1 115 1 2 1 1 16 LYS H . 16 LYS+ H 1 1 116 1 1 1 1 7 LYS HB3 . 7 LYS+ HB3 1 1 116 1 2 1 1 8 ASN H . 8 ASN H 1 1 117 1 1 1 1 25 VAL QG . 25 VAL QG1 1 1 117 1 2 1 1 28 LEU H . 28 LEU H 1 1 118 1 1 1 1 1 MET HA . 1 MET HA 1 1 118 1 2 1 1 2 ALA H . 2 ALA H 1 1 119 1 1 1 1 20 LEU QD . 20 LEU QQD 1 1 119 1 2 1 1 21 GLY H . 21 GLY H 1 1 120 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 120 1 2 1 1 13 LEU QD . 13 LEU QQD 1 1 121 1 1 1 1 19 PHE QD . 19 PHE QD 1 1 121 1 2 1 1 20 LEU HA . 20 LEU HA 1 1 122 1 1 1 1 22 CYS HA . 22 CYS HA 1 1 122 1 2 1 1 25 VAL H . 25 VAL H 1 1 123 1 1 1 1 11 LYS HA . 11 LYS+ HA 1 1 123 1 2 1 1 14 TYR HB3 . 14 TYR HB3 1 1 124 1 1 1 1 18 SER HB3 . 18 SER HB3 1 1 124 1 2 1 1 19 PHE H . 19 PHE H 1 1 125 1 1 1 1 23 LYS QB . 23 LYS+ QB 1 1 125 1 2 1 1 24 VAL H . 24 VAL H 1 1 126 1 1 1 1 13 LEU HA . 13 LEU HA 1 1 126 1 2 1 1 16 LYS HB3 . 16 LYS+ HB2 1 1 127 1 1 1 1 9 SER HA . 9 SER HA 1 1 127 1 2 1 1 12 THR MG . 12 THR QG2 1 1 128 1 1 1 1 15 LEU QD . 15 LEU QQD 1 1 128 1 2 1 1 16 LYS H . 16 LYS+ H 1 1 129 1 1 1 1 24 VAL QG . 24 VAL QG1 1 1 129 1 2 1 1 28 LEU H . 28 LEU H 1 1 130 1 1 1 1 15 LEU HG . 15 LEU HG 1 1 130 1 2 1 1 16 LYS H . 16 LYS+ H 1 1 131 1 1 1 1 11 LYS HA . 11 LYS+ HA 1 1 131 1 2 1 1 14 TYR QE . 14 TYR QE 1 1 132 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 132 1 2 1 1 11 LYS HA . 11 LYS+ HA 1 1 133 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 133 1 2 1 1 14 TYR HA . 14 TYR HA 1 1 134 1 1 1 1 18 SER HB2 . 18 SER HB2 1 1 134 1 2 1 1 19 PHE H . 19 PHE H 1 1 135 1 1 1 1 10 TRP HD1 . 10 TRP HD1 1 1 135 1 2 1 1 13 LEU QD . 13 LEU QQD 1 1 136 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 136 1 2 1 1 26 VAL HB . 26 VAL HB 1 1 137 1 1 1 1 22 CYS HA . 22 CYS HA 1 1 137 1 2 1 1 25 VAL QG . 25 VAL QG1 1 1 138 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 138 1 2 1 1 25 VAL H . 25 VAL H 1 1 139 1 1 1 1 14 TYR HA . 14 TYR HA 1 1 139 1 2 1 1 17 ILE MD . 17 ILE QD1 1 1 140 1 1 1 1 11 LYS QB . 11 LYS+ HB3 1 1 140 1 2 1 1 12 THR HB . 12 THR HB 1 1 141 1 1 1 1 25 VAL HA . 25 VAL HA 1 1 141 1 2 1 1 28 LEU QD . 28 LEU QQD 1 1 142 1 1 1 1 7 LYS HA . 7 LYS+ HA 1 1 142 1 2 1 1 10 TRP HD1 . 10 TRP HD1 1 1 143 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 143 1 2 1 1 11 LYS QB . 11 LYS+ HB3 1 1 144 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 144 1 2 1 1 11 LYS QG . 11 LYS+ HG2 1 1 145 1 1 1 1 11 LYS H . 11 LYS+ H 1 1 145 1 2 1 1 13 LEU QD . 13 LEU QQD 1 1 146 1 1 1 1 11 LYS QG . 11 LYS+ HG3 1 1 146 1 2 1 1 12 THR H . 12 THR H 1 1 147 1 1 1 1 27 LEU HA . 27 LEU HA 1 1 147 1 2 1 1 29 LYS H . 29 LYS+ H 1 1 148 1 1 1 1 10 TRP HZ3 . 10 TRP HZ3 1 1 148 1 2 1 1 11 LYS HA . 11 LYS+ HA 1 1 149 1 1 1 1 20 LEU H . 20 LEU H 1 1 149 1 2 1 1 21 GLY QA . 21 GLY HA3 1 1 150 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 150 1 2 1 1 24 VAL QG . 24 VAL QG1 1 1 151 1 1 1 1 14 TYR HA . 14 TYR HA 1 1 151 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 152 1 1 1 1 26 VAL HA . 26 VAL HA 1 1 152 1 2 1 1 29 LYS QD . 29 LYS+ QD 1 1 153 1 1 1 1 21 GLY QA . 21 GLY HA2 1 1 153 1 2 1 1 24 VAL QG . 24 VAL QG1 1 1 154 1 1 1 1 23 LYS H . 23 LYS+ H 1 1 154 1 2 1 1 24 VAL HB . 24 VAL HB 1 1 155 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 1 155 1 2 1 1 13 LEU HG . 13 LEU HG 1 1 156 1 1 1 1 26 VAL QG . 26 VAL QG1 1 1 156 1 2 1 1 29 LYS H . 29 LYS+ H 1 1 157 1 1 1 1 12 THR MG . 12 THR QG2 1 1 157 1 2 1 1 13 LEU HA . 13 LEU HA 1 1 158 1 1 1 1 25 VAL H . 25 VAL H 1 1 158 1 2 1 1 26 VAL H . 26 VAL H 1 1 159 1 1 1 1 19 PHE H . 19 PHE H 1 1 159 1 2 1 1 20 LEU H . 20 LEU H 1 1 160 1 1 1 1 20 LEU QD . 20 LEU QQD 1 1 160 1 2 1 1 23 LYS H . 23 LYS+ H 1 1 161 1 1 1 1 24 VAL H . 24 VAL H 1 1 161 1 2 1 1 25 VAL QG . 25 VAL QG1 1 1 162 1 1 1 1 22 CYS HA . 22 CYS HA 1 1 162 1 2 1 1 26 VAL H . 26 VAL H 1 1 163 1 1 1 1 20 LEU HA . 20 LEU HA 1 1 163 1 2 1 1 21 GLY H . 21 GLY H 1 1 164 1 1 1 1 21 GLY QA . 21 GLY HA3 1 1 164 1 2 1 1 24 VAL H . 24 VAL H 1 1 165 1 1 1 1 10 TRP HB2 . 10 TRP HB2 1 1 165 1 2 1 1 14 TYR QD . 14 TYR QD 1 1 166 1 1 1 1 10 TRP HB3 . 10 TRP HB3 1 1 166 1 2 1 1 14 TYR QD . 14 TYR QD 1 1 167 1 1 1 1 5 HIS HB3 . 5 HIS+ HB3 1 1 167 1 2 1 1 6 GLY H . 6 GLY H 1 1 168 1 1 1 1 7 LYS H . 7 LYS+ H 1 1 168 1 2 1 1 8 ASN H . 8 ASN H 1 1 169 1 1 1 1 26 VAL HA . 26 VAL HA 1 1 169 1 2 1 1 27 LEU H . 27 LEU H 1 1 170 1 1 1 1 10 TRP HD1 . 10 TRP HD1 1 1 170 1 2 1 1 11 LYS HA . 11 LYS+ HA 1 1 171 1 1 1 1 27 LEU MD1 . 27 LEU QD1 1 1 171 1 2 1 1 28 LEU H . 28 LEU H 1 1 172 1 1 1 1 6 GLY H . 6 GLY H 1 1 172 1 2 1 1 7 LYS HB2 . 7 LYS+ HB2 1 1 173 1 1 1 1 6 GLY H . 6 GLY H 1 1 173 1 2 1 1 7 LYS HB3 . 7 LYS+ HB3 1 1 174 1 1 1 1 15 LEU HA . 15 LEU HA 1 1 174 1 2 1 1 16 LYS HB3 . 16 LYS+ HB2 1 1 175 1 1 1 1 16 LYS HB3 . 16 LYS+ HB2 1 1 175 1 2 1 1 17 ILE HA . 17 ILE HA 1 1 176 1 1 1 1 24 VAL HA . 24 VAL HA 1 1 176 1 2 1 1 27 LEU MD1 . 27 LEU QD1 1 1 177 1 1 1 1 23 LYS HA . 23 LYS+ HA 1 1 177 1 2 1 1 26 VAL QG . 26 VAL QG1 1 1 178 1 1 1 1 26 VAL QG . 26 VAL QG1 1 1 178 1 2 1 1 27 LEU HA . 27 LEU HA 1 1 179 1 1 1 1 13 LEU HG . 13 LEU HG 1 1 179 1 2 1 1 14 TYR HA . 14 TYR HA 1 1 180 1 1 1 1 25 VAL HB . 25 VAL HB 1 1 180 1 2 1 1 28 LEU H . 28 LEU H 1 1 181 1 1 1 1 11 LYS H . 11 LYS+ H 1 1 181 1 2 1 1 14 TYR HB3 . 14 TYR HB3 1 1 182 1 1 1 1 14 TYR QD . 14 TYR QD 1 1 182 1 2 1 1 18 SER HB2 . 18 SER HB2 1 1 183 1 1 1 1 23 LYS H . 23 LYS+ H 1 1 183 1 2 1 1 25 VAL QG . 25 VAL QG1 1 1 184 1 1 1 1 20 LEU QD . 20 LEU QQD 1 1 184 1 2 1 1 24 VAL HA . 24 VAL HA 1 1 185 1 1 1 1 14 TYR QD . 14 TYR QD 1 1 185 1 2 1 1 15 LEU HG . 15 LEU HG 1 1 186 1 1 1 1 15 LEU HG . 15 LEU HG 1 1 186 1 2 1 1 19 PHE QD . 19 PHE QD 1 1 187 1 1 1 1 19 PHE QD . 19 PHE QD 1 1 187 1 2 1 1 23 LYS QG . 23 LYS+ HG3 1 1 188 1 1 1 1 17 ILE MG . 17 ILE QG2 1 1 188 1 2 1 1 18 SER HA . 18 SER HA 1 1 189 1 1 1 1 17 ILE MD . 17 ILE QD1 1 1 189 1 2 1 1 18 SER HA . 18 SER HA 1 1 190 1 1 1 1 15 LEU HA . 15 LEU HA 1 1 190 1 2 1 1 19 PHE QD . 19 PHE QD 1 1 191 1 1 1 1 10 TRP HH2 . 10 TRP HH2 1 1 191 1 2 1 1 11 LYS HA . 11 LYS+ HA 1 1 192 1 1 1 1 14 TYR HB2 . 14 TYR HB2 1 1 192 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 193 1 1 1 1 14 TYR HB3 . 14 TYR HB3 1 1 193 1 2 1 1 17 ILE MG . 17 ILE QG2 1 1 194 1 1 1 1 11 LYS QG . 11 LYS+ HG3 1 1 194 1 2 1 1 14 TYR HB3 . 14 TYR HB3 1 1 195 1 1 1 1 22 CYS QB . 22 CYS HB2 1 1 195 1 2 1 1 23 LYS QG . 23 LYS+ HG3 1 1 196 1 1 1 1 13 LEU HG . 13 LEU HG 1 1 196 1 2 1 1 14 TYR HB3 . 14 TYR HB3 1 1 197 1 1 1 1 14 TYR HB3 . 14 TYR HB3 1 1 197 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 198 1 1 1 1 14 TYR HB2 . 14 TYR HB2 1 1 198 1 2 1 1 17 ILE HB . 17 ILE HB 1 1 199 1 1 1 1 13 LEU HG . 13 LEU HG 1 1 199 1 2 1 1 14 TYR HB2 . 14 TYR HB2 1 1 200 1 1 1 1 10 TRP HB3 . 10 TRP HB3 1 1 200 1 2 1 1 13 LEU HG . 13 LEU HG 1 1 201 1 1 1 1 14 TYR HB2 . 14 TYR HB2 1 1 201 1 2 1 1 17 ILE MD . 17 ILE QD1 1 1 202 1 1 1 1 10 TRP HZ2 . 10 TRP HZ2 1 1 202 1 2 1 1 11 LYS QG . 11 LYS+ HG3 1 1 203 1 1 1 1 7 LYS QG . 7 LYS+ QG 1 1 203 1 2 1 1 8 ASN H . 8 ASN H 1 1 204 1 1 1 1 15 LEU H . 15 LEU H 1 1 204 1 2 1 1 16 LYS HB2 . 16 LYS+ HB3 1 1 205 1 1 1 1 26 VAL H . 26 VAL H 1 1 205 1 2 1 1 27 LEU HB3 . 27 LEU HB3 1 1 206 1 1 1 1 7 LYS HB2 . 7 LYS+ HB2 1 1 206 1 2 1 1 10 TRP HD1 . 10 TRP HD1 1 1 207 1 1 1 1 7 LYS HB3 . 7 LYS+ HB3 1 1 207 1 2 1 1 10 TRP HD1 . 10 TRP HD1 1 1 208 1 1 1 1 12 THR H . 12 THR H 1 1 208 1 2 1 1 13 LEU HG . 13 LEU HG 1 1 209 1 1 1 1 7 LYS QG . 7 LYS+ QG 1 1 209 1 2 1 1 10 TRP HD1 . 10 TRP HD1 1 1 210 1 1 1 1 11 LYS QG . 11 LYS+ HG3 1 1 210 1 2 1 1 14 TYR QD . 14 TYR QD 1 1 211 1 1 1 1 10 TRP HZ3 . 10 TRP HZ3 1 1 211 1 2 1 1 11 LYS QG . 11 LYS+ HG3 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 . . . . . . . 4.19 1 1 2 1 . . . . . . . 4.26 1 1 3 1 . . . . . . . 4.01 1 1 4 1 . . . . . . . 4.56 1 1 5 1 . . . . . . . 3.34 1 1 6 1 . . . . . . . 5.21 1 1 7 1 . . . . . . . 4.52 1 1 8 1 . . . . . . . 4.53 1 1 9 1 . . . . . . . 3.27 1 1 10 1 . . . . . . . 4.68 1 1 11 1 . . . . . . . 5.09 1 1 12 1 . . . . . . . 5.19 1 1 13 1 . . . . . . . 3.69 1 1 14 1 . . . . . . . 3.58 1 1 15 1 . . . . . . . 4.77 1 1 16 1 . . . . . . . 4.65 1 1 17 1 . . . . . . . 3.23 1 1 18 1 . . . . . . . 4.26 1 1 19 1 . . . . . . . 5.11 1 1 20 1 . . . . . . . 5.18 1 1 21 1 . . . . . . . 4.33 1 1 22 1 . . . . . . . 5.09 1 1 23 1 . . . . . . . 5.23 1 1 24 1 . . . . . . . 4.38 1 1 25 1 . . . . . . . 5.1 1 1 26 1 . . . . . . . 4.33 1 1 27 1 . . . . . . . 3.83 1 1 28 1 . . . . . . . 4.08 1 1 29 1 . . . . . . . 4.61 1 1 30 1 . . . . . . . 4.52 1 1 31 1 . . . . . . . 4.57 1 1 32 1 . . . . . . . 3.97 1 1 33 1 . . . . . . . 4.11 1 1 34 1 . . . . . . . 4.73 1 1 35 1 . . . . . . . 4.73 1 1 36 1 . . . . . . . 3.75 1 1 37 1 . . . . . . . 4.11 1 1 38 1 . . . . . . . 4.61 1 1 39 1 . . . . . . . 3.86 1 1 40 1 . . . . . . . 3.94 1 1 41 1 . . . . . . . 3.34 1 1 42 1 . . . . . . . 4.47 1 1 43 1 . . . . . . . 3.87 1 1 44 1 . . . . . . . 5.14 1 1 45 1 . . . . . . . 4.47 1 1 46 1 . . . . . . . 4.82 1 1 47 1 . . . . . . . 4.37 1 1 48 1 . . . . . . . 4.13 1 1 49 1 . . . . . . . 4.62 1 1 50 1 . . . . . . . 5.28 1 1 51 1 . . . . . . . 4.22 1 1 52 1 . . . . . . . 4.18 1 1 53 1 . . . . . . . 4.05 1 1 54 1 . . . . . . . 4.86 1 1 55 1 . . . . . . . 5.33 1 1 56 1 . . . . . . . 4.22 1 1 57 1 . . . . . . . 5.21 1 1 58 1 . . . . . . . 4.78 1 1 59 1 . . . . . . . 4.21 1 1 60 1 . . . . . . . 5.08 1 1 61 1 . . . . . . . 4.17 1 1 62 1 . . . . . . . 4.12 1 1 63 1 . . . . . . . 4.59 1 1 64 1 . . . . . . . 4.91 1 1 65 1 . . . . . . . 4.85 1 1 66 1 . . . . . . . 4.98 1 1 67 1 . . . . . . . 4.77 1 1 68 1 . . . . . . . 4.28 1 1 69 1 . . . . . . . 5.01 1 1 70 1 . . . . . . . 4.2 1 1 71 1 . . . . . . . 4.69 1 1 72 1 . . . . . . . 5.0 1 1 73 1 . . . . . . . 4.81 1 1 74 1 . . . . . . . 4.53 1 1 75 1 . . . . . . . 4.24 1 1 76 1 . . . . . . . 4.0 1 1 77 1 . . . . . . . 5.27 1 1 78 1 . . . . . . . 5.23 1 1 79 1 . . . . . . . 4.48 1 1 80 1 . . . . . . . 4.94 1 1 81 1 . . . . . . . 4.07 1 1 82 1 . . . . . . . 3.85 1 1 83 1 . . . . . . . 4.2 1 1 84 1 . . . . . . . 3.22 1 1 85 1 . . . . . . . 4.38 1 1 86 1 . . . . . . . 5.19 1 1 87 1 . . . . . . . 5.26 1 1 88 1 . . . . . . . 5.34 1 1 89 1 . . . . . . . 6.0 1 1 90 1 . . . . . . . 3.65 1 1 91 1 . . . . . . . 5.55 1 1 92 1 . . . . . . . 5.42 1 1 93 1 . . . . . . . 4.97 1 1 94 1 . . . . . . . 3.79 1 1 95 1 . . . . . . . 6.0 1 1 96 1 . . . . . . . 4.8 1 1 97 1 . . . . . . . 5.09 1 1 98 1 . . . . . . . 3.85 1 1 99 1 . . . . . . . 4.69 1 1 100 1 . . . . . . . 3.53 1 1 101 1 . . . . . . . 4.49 1 1 102 1 . . . . . . . 4.07 1 1 103 1 . . . . . . . 5.31 1 1 104 1 . . . . . . . 4.5 1 1 105 1 . . . . . . . 3.7 1 1 106 1 . . . . . . . 5.41 1 1 107 1 . . . . . . . 5.5 1 1 108 1 . . . . . . . 4.85 1 1 109 1 . . . . . . . 5.19 1 1 110 1 . . . . . . . 5.68 1 1 111 1 . . . . . . . 5.39 1 1 112 1 . . . . . . . 4.23 1 1 113 1 . . . . . . . 4.29 1 1 114 1 . . . . . . . 3.86 1 1 115 1 . . . . . . . 3.85 1 1 116 1 . . . . . . . 5.06 1 1 117 1 . . . . . . . 5.34 1 1 118 1 . . . . . . . 3.53 1 1 119 1 . . . . . . . 4.55 1 1 120 1 . . . . . . . 3.8 1 1 121 1 . . . . . . . 4.33 1 1 122 1 . . . . . . . 4.76 1 1 123 1 . . . . . . . 3.6 1 1 124 1 . . . . . . . 4.44 1 1 125 1 . . . . . . . 3.6 1 1 126 1 . . . . . . . 3.67 1 1 127 1 . . . . . . . 4.47 1 1 128 1 . . . . . . . 4.22 1 1 129 1 . . . . . . . 4.61 1 1 130 1 . . . . . . . 4.49 1 1 131 1 . . . . . . . 6.0 1 1 132 1 . . . . . . . 3.69 1 1 133 1 . . . . . . . 5.03 1 1 134 1 . . . . . . . 4.63 1 1 135 1 . . . . . . . 4.92 1 1 136 1 . . . . . . . 3.68 1 1 137 1 . . . . . . . 3.47 1 1 138 1 . . . . . . . 5.27 1 1 139 1 . . . . . . . 3.34 1 1 140 1 . . . . . . . 4.7 1 1 141 1 . . . . . . . 4.26 1 1 142 1 . . . . . . . 4.31 1 1 143 1 . . . . . . . 5.19 1 1 144 1 . . . . . . . 5.19 1 1 145 1 . . . . . . . 5.12 1 1 146 1 . . . . . . . 4.89 1 1 147 1 . . . . . . . 5.34 1 1 148 1 . . . . . . . 4.81 1 1 149 1 . . . . . . . 5.04 1 1 150 1 . . . . . . . 6.0 1 1 151 1 . . . . . . . 2.44 1 1 152 1 . . . . . . . 5.01 1 1 153 1 . . . . . . . 3.95 1 1 154 1 . . . . . . . 5.03 1 1 155 1 . . . . . . . 4.79 1 1 156 1 . . . . . . . 5.31 1 1 157 1 . . . . . . . 4.2 1 1 158 1 . . . . . . . 4.66 1 1 159 1 . . . . . . . 4.51 1 1 160 1 . . . . . . . 5.07 1 1 161 1 . . . . . . . 3.51 1 1 162 1 . . . . . . . 5.54 1 1 163 1 . . . . . . . 3.97 1 1 164 1 . . . . . . . 5.6 1 1 165 1 . . . . . . . 5.34 1 1 166 1 . . . . . . . 5.83 1 1 167 1 . . . . . . . 5.38 1 1 168 1 . . . . . . . 5.64 1 1 169 1 . . . . . . . 3.51 1 1 170 1 . . . . . . . 6.0 1 1 171 1 . . . . . . . 4.09 1 1 172 1 . . . . . . . 5.7 1 1 173 1 . . . . . . . 5.72 1 1 174 1 . . . . . . . 6.0 1 1 175 1 . . . . . . . 5.25 1 1 176 1 . . . . . . . 3.6 1 1 177 1 . . . . . . . 3.59 1 1 178 1 . . . . . . . 3.72 1 1 179 1 . . . . . . . 3.04 1 1 180 1 . . . . . . . 5.73 1 1 181 1 . . . . . . . 5.5 1 1 182 1 . . . . . . . 5.45 1 1 183 1 . . . . . . . 4.89 1 1 184 1 . . . . . . . 6.0 1 1 185 1 . . . . . . . 4.79 1 1 186 1 . . . . . . . 5.18 1 1 187 1 . . . . . . . 5.39 1 1 188 1 . . . . . . . 6.0 1 1 189 1 . . . . . . . 6.0 1 1 190 1 . . . . . . . 5.44 1 1 191 1 . . . . . . . 5.85 1 1 192 1 . . . . . . . 5.26 1 1 193 1 . . . . . . . 5.05 1 1 194 1 . . . . . . . 5.09 1 1 195 1 . . . . . . . 4.71 1 1 196 1 . . . . . . . 4.76 1 1 197 1 . . . . . . . 4.81 1 1 198 1 . . . . . . . 4.77 1 1 199 1 . . . . . . . 5.32 1 1 200 1 . . . . . . . 5.93 1 1 201 1 . . . . . . . 5.73 1 1 202 1 . . . . . . . 5.35 1 1 203 1 . . . . . . . 5.38 1 1 204 1 . . . . . . . 5.81 1 1 205 1 . . . . . . . 5.6 1 1 206 1 . . . . . . . 5.49 1 1 207 1 . . . . . . . 5.4 1 1 208 1 . . . . . . . 5.54 1 1 209 1 . . . . . . . 5.43 1 1 210 1 . . . . . . . 5.6 1 1 211 1 . . . . . . . 5.75 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_4_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 2 2 1 . . . 1 2 3 1 . . . 1 2 4 1 . . . 1 2 5 1 . . . 1 2 6 1 . . . 1 2 7 1 . . . 1 2 8 1 . . . 1 2 9 1 . . . 1 2 10 1 . . . 1 2 11 1 . . . 1 2 12 1 . . . 1 2 13 1 . . . 1 2 14 1 . . . 1 2 15 1 . . . 1 2 16 1 . . . 1 2 17 1 . . . 1 2 18 1 . . . 1 2 19 1 . . . 1 2 20 1 . . . 1 2 21 1 . . . 1 2 22 1 . . . 1 2 23 1 . . . 1 2 24 1 . . . 1 2 25 1 . . . 1 2 26 1 . . . 1 2 27 1 . . . 1 2 28 1 . . . 1 2 29 1 . . . 1 2 30 1 . . . 1 2 31 1 . . . 1 2 32 1 . . . 1 2 33 1 . . . 1 2 34 1 . . . 1 2 35 1 . . . 1 2 36 1 . . . 1 2 37 1 . . . 1 2 38 1 . . . 1 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 16 LYS QD . 16 LYS+ QD 1 2 1 1 2 1 1 17 ILE H . 17 ILE H 1 2 2 1 1 1 1 8 ASN QB . 8 ASN QB 1 2 2 1 2 1 1 9 SER H . 9 SER H 1 2 3 1 1 1 1 19 PHE QB . 19 PHE QB 1 2 3 1 2 1 1 20 LEU H . 20 LEU H 1 2 4 1 1 1 1 13 LEU QB . 13 LEU QB 1 2 4 1 2 1 1 14 TYR H . 14 TYR H 1 2 5 1 1 1 1 16 LYS QD . 16 LYS+ QD 1 2 5 1 2 1 1 18 SER H . 18 SER H 1 2 6 1 1 1 1 8 ASN QB . 8 ASN QB 1 2 6 1 2 1 1 10 TRP HD1 . 10 TRP HD1 1 2 7 1 1 1 1 10 TRP HH2 . 10 TRP HH2 1 2 7 1 2 1 1 11 LYS QE . 11 LYS+ QE 1 2 8 1 1 1 1 10 TRP HZ2 . 10 TRP HZ2 1 2 8 1 2 1 1 11 LYS QE . 11 LYS+ QE 1 2 9 1 1 1 1 10 TRP HA . 10 TRP HA 1 2 9 1 2 1 1 13 LEU QB . 13 LEU QB 1 2 10 1 1 1 1 16 LYS HA . 16 LYS+ HA 1 2 10 1 2 1 1 19 PHE QB . 19 PHE QB 1 2 11 1 1 1 1 16 LYS H . 16 LYS+ H 1 2 11 1 2 1 1 19 PHE QB . 19 PHE QB 1 2 12 1 1 1 1 8 ASN QB . 8 ASN QB 1 2 12 1 2 1 1 9 SER HA . 9 SER HA 1 2 13 1 1 1 1 7 LYS HA . 7 LYS+ HA 1 2 13 1 2 1 1 8 ASN QB . 8 ASN QB 1 2 14 1 1 1 1 19 PHE QB . 19 PHE QB 1 2 14 1 2 1 1 20 LEU HA . 20 LEU HA 1 2 15 1 1 1 1 26 VAL HA . 26 VAL HA 1 2 15 1 2 1 1 26 VAL HB . 26 VAL HB 1 2 16 1 1 1 1 22 CYS HA . 22 CYS HA 1 2 16 1 2 1 1 25 VAL HB . 25 VAL HB 1 2 17 1 1 1 1 12 THR HB . 12 THR HB 1 2 17 1 2 1 1 13 LEU QB . 13 LEU QB 1 2 18 1 1 1 1 13 LEU QB . 13 LEU QB 1 2 18 1 2 1 1 14 TYR QD . 14 TYR QD 1 2 19 1 1 1 1 16 LYS QD . 16 LYS+ QD 1 2 19 1 2 1 1 17 ILE HA . 17 ILE HA 1 2 20 1 1 1 1 14 TYR HA . 14 TYR HA 1 2 20 1 2 1 1 17 ILE QG . 17 ILE QG1 1 2 21 1 1 1 1 1 MET QB . 1 MET QB 1 2 21 1 2 1 1 2 ALA H . 2 ALA H 1 2 22 1 1 1 1 19 PHE QD . 19 PHE QD 1 2 22 1 2 1 1 20 LEU QB . 20 LEU QB 1 2 23 1 1 1 1 16 LYS QD . 16 LYS+ QD 1 2 23 1 2 1 1 19 PHE H . 19 PHE H 1 2 24 1 1 1 1 10 TRP HE3 . 10 TRP HE3 1 2 24 1 2 1 1 13 LEU QB . 13 LEU QB 1 2 25 1 1 1 1 22 CYS HA . 22 CYS HA 1 2 25 1 2 1 1 23 LYS QB . 23 LYS+ QB 1 2 26 1 1 1 1 16 LYS QD . 16 LYS+ QD 1 2 26 1 2 1 1 19 PHE QD . 19 PHE QD 1 2 27 1 1 1 1 16 LYS QE . 16 LYS+ QE 1 2 27 1 2 1 1 17 ILE MG . 17 ILE QG2 1 2 28 1 1 1 1 19 PHE QB . 19 PHE QB 1 2 28 1 2 1 1 20 LEU QD . 20 LEU QQD 1 2 29 1 1 1 1 8 ASN QB . 8 ASN QB 1 2 29 1 2 1 1 11 LYS QB . 11 LYS+ HB3 1 2 30 1 1 1 1 19 PHE QB . 19 PHE QB 1 2 30 1 2 1 1 20 LEU QB . 20 LEU QB 1 2 31 1 1 1 1 16 LYS HB3 . 16 LYS+ HB2 1 2 31 1 2 1 1 19 PHE QB . 19 PHE QB 1 2 32 1 1 1 1 8 ASN QB . 8 ASN QB 1 2 32 1 2 1 1 11 LYS QG . 11 LYS+ HG2 1 2 33 1 1 1 1 7 LYS HB2 . 7 LYS+ HB2 1 2 33 1 2 1 1 8 ASN QB . 8 ASN QB 1 2 34 1 1 1 1 7 LYS QG . 7 LYS+ QG 1 2 34 1 2 1 1 8 ASN QB . 8 ASN QB 1 2 35 1 1 1 1 10 TRP HB3 . 10 TRP HB3 1 2 35 1 2 1 1 13 LEU QB . 13 LEU QB 1 2 36 1 1 1 1 16 LYS QG . 16 LYS+ QG 1 2 36 1 2 1 1 19 PHE QB . 19 PHE QB 1 2 37 1 1 1 1 14 TYR QD . 14 TYR QD 1 2 37 1 2 1 1 17 ILE QG . 17 ILE QG1 1 2 38 1 1 1 1 10 TRP H . 10 TRP H 1 2 38 1 2 1 1 13 LEU QB . 13 LEU QB 1 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 6.0 1 2 2 1 . . . . . . . 4.36 1 2 3 1 . . . . . . . 3.67 1 2 4 1 . . . . . . . 3.95 1 2 5 1 . . . . . . . 4.85 1 2 6 1 . . . . . . . 5.49 1 2 7 1 . . . . . . . 5.17 1 2 8 1 . . . . . . . 4.07 1 2 9 1 . . . . . . . 3.74 1 2 10 1 . . . . . . . 3.46 1 2 11 1 . . . . . . . 5.36 1 2 12 1 . . . . . . . 5.47 1 2 13 1 . . . . . . . 5.03 1 2 14 1 . . . . . . . 5.0 1 2 15 1 . . . . . . . 3.01 1 2 16 1 . . . . . . . 6.0 1 2 17 1 . . . . . . . 4.41 1 2 18 1 . . . . . . . 6.0 1 2 19 1 . . . . . . . 6.0 1 2 20 1 . . . . . . . 4.15 1 2 21 1 . . . . . . . 5.22 1 2 22 1 . . . . . . . 4.01 1 2 23 1 . . . . . . . 4.9 1 2 24 1 . . . . . . . 6.0 1 2 25 1 . . . . . . . 6.0 1 2 26 1 . . . . . . . 4.66 1 2 27 1 . . . . . . . 6.0 1 2 28 1 . . . . . . . 6.0 1 2 29 1 . . . . . . . 4.55 1 2 30 1 . . . . . . . 4.68 1 2 31 1 . . . . . . . 5.63 1 2 32 1 . . . . . . . 5.56 1 2 33 1 . . . . . . . 5.73 1 2 34 1 . . . . . . . 5.69 1 2 35 1 . . . . . . . 5.97 1 2 36 1 . . . . . . . 5.8 1 2 37 1 . . . . . . . 5.66 1 2 38 1 . . . . . . . 5.65 1 2 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI 1 1 8 ASN C 1 1 9 SER N 1 1 9 SER CA 1 1 9 SER C -82.9 -42.9 . 9 SER . . 9 SER . . 9 SER . . 9 SER . 1 1 2 PSI 1 1 9 SER N 1 1 9 SER CA 1 1 9 SER C 1 1 10 TRP N -60.7 -20.7 . 9 SER . . 9 SER . . 9 SER . . 9 SER . 1 1 3 PHI 1 1 9 SER C 1 1 10 TRP N 1 1 10 TRP CA 1 1 10 TRP C -99.5 -37.9 . 10 TRP . . 10 TRP . . 10 TRP . . 10 TRP . 1 1 4 PHI 1 1 10 TRP C 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C -84.6 -41.6 . 11 LYS+ . . 11 LYS+ . . 11 LYS+ . . 11 LYS+ . 1 1 5 PSI 1 1 10 TRP N 1 1 10 TRP CA 1 1 10 TRP C 1 1 11 LYS N -70.2 -2.0 . 10 TRP . . 10 TRP . . 10 TRP . . 10 TRP . 1 1 6 PHI 1 1 11 LYS C 1 1 12 THR N 1 1 12 THR CA 1 1 12 THR C -95.4 -47.999996 . 12 THR . . 12 THR . . 12 THR . . 12 THR . 1 1 7 PSI 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C 1 1 12 THR N -63.699997 -10.5 . 11 LYS+ . . 11 LYS+ . . 11 LYS+ . . 11 LYS+ . 1 1 8 PSI 1 1 12 THR N 1 1 12 THR CA 1 1 12 THR C 1 1 13 LEU N -67.6 4.0 . 12 THR . . 12 THR . . 12 THR . . 12 THR . 1 1 9 PHI 1 1 12 THR C 1 1 13 LEU N 1 1 13 LEU CA 1 1 13 LEU C -102.4 -42.4 . 13 LEU . . 13 LEU . . 13 LEU . . 13 LEU . 1 1 10 PSI 1 1 13 LEU N 1 1 13 LEU CA 1 1 13 LEU C 1 1 14 TYR N -67.2 1.7999998 . 13 LEU . . 13 LEU . . 13 LEU . . 13 LEU . 1 1 11 PHI 1 1 13 LEU C 1 1 14 TYR N 1 1 14 TYR CA 1 1 14 TYR C -86.5 -44.1 . 14 TYR . . 14 TYR . . 14 TYR . . 14 TYR . 1 1 12 PHI 1 1 14 TYR C 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C -86.6 -46.6 . 15 LEU . . 15 LEU . . 15 LEU . . 15 LEU . 1 1 13 PSI 1 1 14 TYR N 1 1 14 TYR CA 1 1 14 TYR C 1 1 15 LEU N -60.5 -20.5 . 14 TYR . . 14 TYR . . 14 TYR . . 14 TYR . 1 1 14 PHI 1 1 15 LEU C 1 1 16 LYS N 1 1 16 LYS CA 1 1 16 LYS C -84.7 -44.699997 . 16 LYS+ . . 16 LYS+ . . 16 LYS+ . . 16 LYS+ . 1 1 15 PSI 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C 1 1 16 LYS N -61.5 -21.5 . 15 LEU . . 15 LEU . . 15 LEU . . 15 LEU . 1 1 16 PSI 1 1 16 LYS N 1 1 16 LYS CA 1 1 16 LYS C 1 1 17 ILE N -60.999996 -21.0 . 16 LYS+ . . 16 LYS+ . . 16 LYS+ . . 16 LYS+ . 1 1 17 PHI 1 1 16 LYS C 1 1 17 ILE N 1 1 17 ILE CA 1 1 17 ILE C -87.0 -47.0 . 17 ILE . . 17 ILE . . 17 ILE . . 17 ILE . 1 1 18 PHI 1 1 17 ILE C 1 1 18 SER N 1 1 18 SER CA 1 1 18 SER C -83.9 -43.9 . 18 SER . . 18 SER . . 18 SER . . 18 SER . 1 1 19 PSI 1 1 17 ILE N 1 1 17 ILE CA 1 1 17 ILE C 1 1 18 SER N -56.6 -16.6 . 17 ILE . . 17 ILE . . 17 ILE . . 17 ILE . 1 1 20 PSI 1 1 18 SER N 1 1 18 SER CA 1 1 18 SER C 1 1 19 PHE N -62.1 -22.1 . 18 SER . . 18 SER . . 18 SER . . 18 SER . 1 1 21 PHI 1 1 18 SER C 1 1 19 PHE N 1 1 19 PHE CA 1 1 19 PHE C -85.4 -45.4 . 19 PHE . . 19 PHE . . 19 PHE . . 19 PHE . 1 1 22 PSI 1 1 19 PHE N 1 1 19 PHE CA 1 1 19 PHE C 1 1 20 LEU N -63.4 -23.4 . 19 PHE . . 19 PHE . . 19 PHE . . 19 PHE . 1 1 23 PHI 1 1 19 PHE C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -83.2 -43.2 . 20 LEU . . 20 LEU . . 20 LEU . . 20 LEU . 1 1 24 PHI 1 1 20 LEU C 1 1 21 GLY N 1 1 21 GLY CA 1 1 21 GLY C -84.0 -44.0 . 21 GLY . . 21 GLY . . 21 GLY . . 21 GLY . 1 1 25 PSI 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C 1 1 21 GLY N -62.799995 -22.8 . 20 LEU . . 20 LEU . . 20 LEU . . 20 LEU . 1 1 26 PSI 1 1 21 GLY N 1 1 21 GLY CA 1 1 21 GLY C 1 1 22 CYS N -58.6 -10.6 . 21 GLY . . 21 GLY . . 21 GLY . . 21 GLY . 1 1 27 PHI 1 1 21 GLY C 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C -86.5 -46.3 . 22 CYS . . 22 CYS . . 22 CYS . . 22 CYS . 1 1 28 PHI 1 1 22 CYS C 1 1 23 LYS N 1 1 23 LYS CA 1 1 23 LYS C -84.5 -44.5 . 23 LYS+ . . 23 LYS+ . . 23 LYS+ . . 23 LYS+ . 1 1 29 PSI 1 1 22 CYS N 1 1 22 CYS CA 1 1 22 CYS C 1 1 23 LYS N -68.7 -10.1 . 22 CYS . . 22 CYS . . 22 CYS . . 22 CYS . 1 1 30 PSI 1 1 23 LYS N 1 1 23 LYS CA 1 1 23 LYS C 1 1 24 VAL N -65.0 -11.8 . 23 LYS+ . . 23 LYS+ . . 23 LYS+ . . 23 LYS+ . 1 1 31 PHI 1 1 23 LYS C 1 1 24 VAL N 1 1 24 VAL CA 1 1 24 VAL C -86.19999 -46.2 . 24 VAL . . 24 VAL . . 24 VAL . . 24 VAL . 1 1 32 PSI 1 1 24 VAL N 1 1 24 VAL CA 1 1 24 VAL C 1 1 25 VAL N -67.4 -15.400001 . 24 VAL . . 24 VAL . . 24 VAL . . 24 VAL . 1 1 33 PHI 1 1 24 VAL C 1 1 25 VAL N 1 1 25 VAL CA 1 1 25 VAL C -84.5 -43.9 . 25 VAL . . 25 VAL . . 25 VAL . . 25 VAL . 1 1 34 PSI 1 1 25 VAL N 1 1 25 VAL CA 1 1 25 VAL C 1 1 26 VAL N -60.999996 -20.0 . 25 VAL . . 25 VAL . . 25 VAL . . 25 VAL . 1 1 35 PHI 1 1 25 VAL C 1 1 26 VAL N 1 1 26 VAL CA 1 1 26 VAL C -105.2 -37.2 . 26 VAL . . 26 VAL . . 26 VAL . . 26 VAL . 1 1 36 PSI 1 1 26 VAL N 1 1 26 VAL CA 1 1 26 VAL C 1 1 27 LEU N -57.0 -17.0 . 26 VAL . . 26 VAL . . 26 VAL . . 26 VAL . 1 1 37 PHI 1 1 26 VAL C 1 1 27 LEU N 1 1 27 LEU CA 1 1 27 LEU C -108.8 -34.6 . 27 LEU . . 27 LEU . . 27 LEU . . 27 LEU . 1 1 38 PSI 1 1 27 LEU N 1 1 27 LEU CA 1 1 27 LEU C 1 1 28 LEU N -63.0 -4.2 . 27 LEU . . 27 LEU . . 27 LEU . . 27 LEU . 1 1 39 PHI 1 1 27 LEU C 1 1 28 LEU N 1 1 28 LEU CA 1 1 28 LEU C -110.8 -36.799995 . 28 LEU . . 28 LEU . . 28 LEU . . 28 LEU . 1 1 40 PSI 1 1 28 LEU N 1 1 28 LEU CA 1 1 28 LEU C 1 1 29 LYS N -63.4 -0.2 . 28 LEU . . 28 LEU . . 28 LEU . . 28 LEU . 1 1 41 PSI 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS C 1 1 30 ARG N -61.3 -10.9 . 29 LYS+ . . 29 LYS+ . . 29 LYS+ . . 29 LYS+ . 1 1 42 PHI 1 1 28 LEU C 1 1 29 LYS N 1 1 29 LYS CA 1 1 29 LYS C -85.2 -41.6 . 29 LYS+ . . 29 LYS+ . . 29 LYS+ . . 29 LYS+ . 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 MET C C -16.015 7.000 -3.539 1.00 . A A . 1 MET C 1 1 1 2 1 1 1 MET CA C -16.176 7.829 -4.811 1.00 . A A . 1 MET CA 1 1 1 3 1 1 1 MET CB C -17.042 7.066 -5.822 1.00 . A A . 1 MET CB 1 1 1 4 1 1 1 MET CE C -16.553 3.345 -7.646 1.00 . A A . 1 MET CE 1 1 1 5 1 1 1 MET CG C -16.463 5.723 -6.231 1.00 . A A . 1 MET CG 1 1 1 6 1 1 1 MET H1 H -14.317 7.289 -5.587 1.00 . A A . 1 MET H1 1 1 1 7 1 1 1 MET H2 H -14.312 8.759 -4.753 1.00 . A A . 1 MET H2 1 1 1 8 1 1 1 MET H3 H -14.985 8.670 -6.299 1.00 . A A . 1 MET H3 1 1 1 9 1 1 1 MET HA H -16.668 8.755 -4.554 1.00 . A A . 1 MET HA 1 1 1 10 1 1 1 MET HB2 H -18.016 6.896 -5.388 1.00 . A A . 1 MET HB2 1 1 1 11 1 1 1 MET HB3 H -17.155 7.671 -6.711 1.00 . A A . 1 MET HB3 1 1 1 12 1 1 1 MET HE1 H -15.596 3.605 -8.074 1.00 . A A . 1 MET HE1 1 1 1 13 1 1 1 MET HE2 H -17.079 2.686 -8.319 1.00 . A A . 1 MET HE2 1 1 1 14 1 1 1 MET HE3 H -16.400 2.848 -6.699 1.00 . A A . 1 MET HE3 1 1 1 15 1 1 1 MET HG2 H -15.503 5.889 -6.696 1.00 . A A . 1 MET HG2 1 1 1 16 1 1 1 MET HG3 H -16.334 5.117 -5.346 1.00 . A A . 1 MET HG3 1 1 1 17 1 1 1 MET N N -14.856 8.158 -5.403 1.00 . A A . 1 MET N 1 1 1 18 1 1 1 MET O O -16.946 6.317 -3.111 1.00 . A A . 1 MET O 1 1 1 19 1 1 1 MET SD S -17.519 4.832 -7.390 1.00 . A A . 1 MET SD 1 1 1 20 1 1 2 ALA C C -14.890 7.043 -0.470 1.00 . A A . 2 ALA C 1 1 1 21 1 1 2 ALA CA C -14.569 6.269 -1.739 1.00 . A A . 2 ALA CA 1 1 1 22 1 1 2 ALA CB C -13.120 5.806 -1.730 1.00 . A A . 2 ALA CB 1 1 1 23 1 1 2 ALA H H -14.142 7.663 -3.270 1.00 . A A . 2 ALA H 1 1 1 24 1 1 2 ALA HA H -15.199 5.399 -1.778 1.00 . A A . 2 ALA HA 1 1 1 25 1 1 2 ALA HB1 H -12.949 5.172 -0.873 1.00 . A A . 2 ALA HB1 1 1 1 26 1 1 2 ALA HB2 H -12.468 6.667 -1.678 1.00 . A A . 2 ALA HB2 1 1 1 27 1 1 2 ALA HB3 H -12.914 5.254 -2.634 1.00 . A A . 2 ALA HB3 1 1 1 28 1 1 2 ALA N N -14.840 7.065 -2.925 1.00 . A A . 2 ALA N 1 1 1 29 1 1 2 ALA O O -15.007 6.465 0.611 1.00 . A A . 2 ALA O 1 1 1 30 1 1 3 THR C C -16.773 9.131 0.971 1.00 . A A . 3 THR C 1 1 1 31 1 1 3 THR CA C -15.316 9.216 0.520 1.00 . A A . 3 THR CA 1 1 1 32 1 1 3 THR CB C -14.959 10.678 0.193 1.00 . A A . 3 THR CB 1 1 1 33 1 1 3 THR CG2 C -13.452 10.875 0.160 1.00 . A A . 3 THR CG2 1 1 1 34 1 1 3 THR H H -15.013 8.727 -1.513 1.00 . A A . 3 THR H 1 1 1 35 1 1 3 THR HA H -14.684 8.890 1.333 1.00 . A A . 3 THR HA 1 1 1 36 1 1 3 THR HB H -15.374 11.314 0.961 1.00 . A A . 3 THR HB 1 1 1 37 1 1 3 THR HG1 H -16.443 11.305 -0.947 1.00 . A A . 3 THR HG1 1 1 1 38 1 1 3 THR HG21 H -13.231 11.902 -0.094 1.00 . A A . 3 THR HG21 1 1 1 39 1 1 3 THR HG22 H -13.019 10.220 -0.581 1.00 . A A . 3 THR HG22 1 1 1 40 1 1 3 THR HG23 H -13.036 10.647 1.130 1.00 . A A . 3 THR HG23 1 1 1 41 1 1 3 THR N N -15.058 8.344 -0.616 1.00 . A A . 3 THR N 1 1 1 42 1 1 3 THR O O -17.603 9.970 0.617 1.00 . A A . 3 THR O 1 1 1 43 1 1 3 THR OG1 O -15.521 11.044 -1.073 1.00 . A A . 3 THR OG1 1 1 1 44 1 1 4 LYS C C -18.285 7.678 3.807 1.00 . A A . 4 LYS C 1 1 1 45 1 1 4 LYS CA C -18.403 7.922 2.311 1.00 . A A . 4 LYS CA 1 1 1 46 1 1 4 LYS CB C -19.135 6.749 1.651 1.00 . A A . 4 LYS CB 1 1 1 47 1 1 4 LYS CD C -20.050 5.716 -0.450 1.00 . A A . 4 LYS CD 1 1 1 48 1 1 4 LYS CE C -21.445 5.465 0.110 1.00 . A A . 4 LYS CE 1 1 1 49 1 1 4 LYS CG C -19.393 6.940 0.171 1.00 . A A . 4 LYS CG 1 1 1 50 1 1 4 LYS H H -16.388 7.415 1.910 1.00 . A A . 4 LYS H 1 1 1 51 1 1 4 LYS HA H -18.964 8.831 2.145 1.00 . A A . 4 LYS HA 1 1 1 52 1 1 4 LYS HB2 H -18.543 5.858 1.775 1.00 . A A . 4 LYS HB2 1 1 1 53 1 1 4 LYS HB3 H -20.085 6.610 2.146 1.00 . A A . 4 LYS HB3 1 1 1 54 1 1 4 LYS HD2 H -20.127 5.867 -1.515 1.00 . A A . 4 LYS HD2 1 1 1 55 1 1 4 LYS HD3 H -19.432 4.851 -0.254 1.00 . A A . 4 LYS HD3 1 1 1 56 1 1 4 LYS HE2 H -21.839 4.565 -0.336 1.00 . A A . 4 LYS HE2 1 1 1 57 1 1 4 LYS HE3 H -21.373 5.333 1.179 1.00 . A A . 4 LYS HE3 1 1 1 58 1 1 4 LYS HG2 H -20.043 7.787 0.041 1.00 . A A . 4 LYS HG2 1 1 1 59 1 1 4 LYS HG3 H -18.452 7.125 -0.327 1.00 . A A . 4 LYS HG3 1 1 1 60 1 1 4 LYS HZ1 H -22.052 7.454 0.302 1.00 . A A . 4 LYS HZ1 1 1 1 61 1 1 4 LYS HZ2 H -23.330 6.359 0.152 1.00 . A A . 4 LYS HZ2 1 1 1 62 1 1 4 LYS HZ3 H -22.409 6.770 -1.201 1.00 . A A . 4 LYS HZ3 1 1 1 63 1 1 4 LYS N N -17.077 8.093 1.734 1.00 . A A . 4 LYS N 1 1 1 64 1 1 4 LYS NZ N -22.372 6.591 -0.179 1.00 . A A . 4 LYS NZ 1 1 1 65 1 1 4 LYS O O -19.155 7.054 4.416 1.00 . A A . 4 LYS O 1 1 1 66 1 1 5 HIS C C -16.677 6.454 6.040 1.00 . A A . 5 HIS C 1 1 1 67 1 1 5 HIS CA C -16.879 7.950 5.792 1.00 . A A . 5 HIS CA 1 1 1 68 1 1 5 HIS CB C -17.982 8.524 6.699 1.00 . A A . 5 HIS CB 1 1 1 69 1 1 5 HIS CD2 C -16.652 8.911 8.896 1.00 . A A . 5 HIS CD2 1 1 1 70 1 1 5 HIS CE1 C -17.999 7.868 10.272 1.00 . A A . 5 HIS CE1 1 1 1 71 1 1 5 HIS CG C -17.685 8.432 8.167 1.00 . A A . 5 HIS CG 1 1 1 72 1 1 5 HIS H H -16.590 8.735 3.849 1.00 . A A . 5 HIS H 1 1 1 73 1 1 5 HIS HA H -15.950 8.460 6.003 1.00 . A A . 5 HIS HA 1 1 1 74 1 1 5 HIS HB2 H -18.127 9.566 6.458 1.00 . A A . 5 HIS HB2 1 1 1 75 1 1 5 HIS HB3 H -18.900 7.988 6.511 1.00 . A A . 5 HIS HB3 1 1 1 76 1 1 5 HIS HD1 H -19.355 7.330 8.837 1.00 . A A . 5 HIS HD1 1 1 1 77 1 1 5 HIS HD2 H -15.809 9.472 8.520 1.00 . A A . 5 HIS HD2 1 1 1 78 1 1 5 HIS HE1 H -18.426 7.446 11.169 1.00 . A A . 5 HIS HE1 1 1 1 79 1 1 5 HIS HE2 H -16.369 8.888 10.975 1.00 . A A . 5 HIS HE2 1 1 1 80 1 1 5 HIS N N -17.196 8.180 4.385 1.00 . A A . 5 HIS N 1 1 1 81 1 1 5 HIS ND1 N -18.512 7.783 9.060 1.00 . A A . 5 HIS ND1 1 1 1 82 1 1 5 HIS NE2 N -16.871 8.547 10.201 1.00 . A A . 5 HIS NE2 1 1 1 83 1 1 5 HIS O O -17.264 5.867 6.951 1.00 . A A . 5 HIS O 1 1 1 84 1 1 6 GLY C C -16.773 3.557 5.253 1.00 . A A . 6 GLY C 1 1 1 85 1 1 6 GLY CA C -15.540 4.434 5.320 1.00 . A A . 6 GLY CA 1 1 1 86 1 1 6 GLY H H -15.437 6.368 4.473 1.00 . A A . 6 GLY H 1 1 1 87 1 1 6 GLY HA2 H -14.871 4.153 4.523 1.00 . A A . 6 GLY HA2 1 1 1 88 1 1 6 GLY HA3 H -15.046 4.269 6.267 1.00 . A A . 6 GLY HA3 1 1 1 89 1 1 6 GLY N N -15.850 5.846 5.194 1.00 . A A . 6 GLY N 1 1 1 90 1 1 6 GLY O O -16.918 2.620 6.038 1.00 . A A . 6 GLY O 1 1 1 91 1 1 7 LYS C C -18.964 2.403 2.838 1.00 . A A . 7 LYS C 1 1 1 92 1 1 7 LYS CA C -18.904 3.118 4.186 1.00 . A A . 7 LYS CA 1 1 1 93 1 1 7 LYS CB C -20.100 4.062 4.327 1.00 . A A . 7 LYS CB 1 1 1 94 1 1 7 LYS CD C -21.577 2.679 5.807 1.00 . A A . 7 LYS CD 1 1 1 95 1 1 7 LYS CE C -22.939 2.025 5.953 1.00 . A A . 7 LYS CE 1 1 1 96 1 1 7 LYS CG C -21.432 3.353 4.454 1.00 . A A . 7 LYS CG 1 1 1 97 1 1 7 LYS H H -17.492 4.610 3.717 1.00 . A A . 7 LYS H 1 1 1 98 1 1 7 LYS HA H -18.939 2.383 4.975 1.00 . A A . 7 LYS HA 1 1 1 99 1 1 7 LYS HB2 H -19.957 4.673 5.206 1.00 . A A . 7 LYS HB2 1 1 1 100 1 1 7 LYS HB3 H -20.143 4.700 3.461 1.00 . A A . 7 LYS HB3 1 1 1 101 1 1 7 LYS HD2 H -20.814 1.923 5.905 1.00 . A A . 7 LYS HD2 1 1 1 102 1 1 7 LYS HD3 H -21.457 3.420 6.584 1.00 . A A . 7 LYS HD3 1 1 1 103 1 1 7 LYS HE2 H -23.096 1.778 6.990 1.00 . A A . 7 LYS HE2 1 1 1 104 1 1 7 LYS HE3 H -23.689 2.733 5.634 1.00 . A A . 7 LYS HE3 1 1 1 105 1 1 7 LYS HG2 H -22.221 4.077 4.338 1.00 . A A . 7 LYS HG2 1 1 1 106 1 1 7 LYS HG3 H -21.507 2.605 3.679 1.00 . A A . 7 LYS HG3 1 1 1 107 1 1 7 LYS HZ1 H -24.034 0.418 5.197 1.00 . A A . 7 LYS HZ1 1 1 1 108 1 1 7 LYS HZ2 H -22.408 0.063 5.482 1.00 . A A . 7 LYS HZ2 1 1 1 109 1 1 7 LYS HZ3 H -22.845 0.991 4.135 1.00 . A A . 7 LYS HZ3 1 1 1 110 1 1 7 LYS N N -17.666 3.863 4.322 1.00 . A A . 7 LYS N 1 1 1 111 1 1 7 LYS NZ N -23.065 0.790 5.135 1.00 . A A . 7 LYS NZ 1 1 1 112 1 1 7 LYS O O -19.169 3.039 1.803 1.00 . A A . 7 LYS O 1 1 1 113 1 1 8 ASN C C -17.771 0.440 0.666 1.00 . A A . 8 ASN C 1 1 1 114 1 1 8 ASN CA C -18.882 0.209 1.695 1.00 . A A . 8 ASN CA 1 1 1 115 1 1 8 ASN CB C -20.251 0.376 1.026 1.00 . A A . 8 ASN CB 1 1 1 116 1 1 8 ASN CG C -21.395 -0.085 1.906 1.00 . A A . 8 ASN CG 1 1 1 117 1 1 8 ASN H H -18.511 0.674 3.730 1.00 . A A . 8 ASN H 1 1 1 118 1 1 8 ASN HA H -18.801 -0.807 2.048 1.00 . A A . 8 ASN HA 1 1 1 119 1 1 8 ASN HB2 H -20.404 1.419 0.791 1.00 . A A . 8 ASN HB2 1 1 1 120 1 1 8 ASN HB3 H -20.269 -0.200 0.114 1.00 . A A . 8 ASN HB3 1 1 1 121 1 1 8 ASN HD21 H -22.533 -1.657 2.316 1.00 . A A . 8 ASN HD21 1 1 1 122 1 1 8 ASN HD22 H -21.331 -1.893 1.095 1.00 . A A . 8 ASN HD22 1 1 1 123 1 1 8 ASN N N -18.757 1.084 2.872 1.00 . A A . 8 ASN N 1 1 1 124 1 1 8 ASN ND2 N -21.792 -1.337 1.757 1.00 . A A . 8 ASN ND2 1 1 1 125 1 1 8 ASN O O -16.920 -0.428 0.460 1.00 . A A . 8 ASN O 1 1 1 126 1 1 8 ASN OD1 O -21.926 0.684 2.704 1.00 . A A . 8 ASN OD1 1 1 1 127 1 1 9 SER C C -15.404 1.995 -0.634 1.00 . A A . 9 SER C 1 1 1 128 1 1 9 SER CA C -16.864 1.917 -1.063 1.00 . A A . 9 SER CA 1 1 1 129 1 1 9 SER CB C -17.280 3.230 -1.724 1.00 . A A . 9 SER CB 1 1 1 130 1 1 9 SER H H -18.386 2.315 0.358 1.00 . A A . 9 SER H 1 1 1 131 1 1 9 SER HA H -16.957 1.125 -1.783 1.00 . A A . 9 SER HA 1 1 1 132 1 1 9 SER HB2 H -17.154 4.041 -1.023 1.00 . A A . 9 SER HB2 1 1 1 133 1 1 9 SER HB3 H -16.662 3.405 -2.593 1.00 . A A . 9 SER HB3 1 1 1 134 1 1 9 SER HG H -19.007 2.315 -1.935 1.00 . A A . 9 SER HG 1 1 1 135 1 1 9 SER N N -17.764 1.617 0.050 1.00 . A A . 9 SER N 1 1 1 136 1 1 9 SER O O -14.515 2.185 -1.465 1.00 . A A . 9 SER O 1 1 1 137 1 1 9 SER OG O -18.639 3.187 -2.131 1.00 . A A . 9 SER OG 1 1 1 138 1 1 10 TRP C C -12.994 0.667 0.715 1.00 . A A . 10 TRP C 1 1 1 139 1 1 10 TRP CA C -13.789 1.886 1.143 1.00 . A A . 10 TRP CA 1 1 1 140 1 1 10 TRP CB C -13.730 1.965 2.656 1.00 . A A . 10 TRP CB 1 1 1 141 1 1 10 TRP CD1 C -15.743 0.753 3.639 1.00 . A A . 10 TRP CD1 1 1 1 142 1 1 10 TRP CD2 C -13.814 -0.314 3.739 1.00 . A A . 10 TRP CD2 1 1 1 143 1 1 10 TRP CE2 C -14.773 -1.118 4.349 1.00 . A A . 10 TRP CE2 1 1 1 144 1 1 10 TRP CE3 C -12.516 -0.738 3.648 1.00 . A A . 10 TRP CE3 1 1 1 145 1 1 10 TRP CG C -14.433 0.858 3.321 1.00 . A A . 10 TRP CG 1 1 1 146 1 1 10 TRP CH2 C -13.141 -2.751 4.785 1.00 . A A . 10 TRP CH2 1 1 1 147 1 1 10 TRP CZ2 C -14.447 -2.354 4.884 1.00 . A A . 10 TRP CZ2 1 1 1 148 1 1 10 TRP CZ3 C -12.185 -1.944 4.164 1.00 . A A . 10 TRP CZ3 1 1 1 149 1 1 10 TRP H H -15.886 1.664 1.271 1.00 . A A . 10 TRP H 1 1 1 150 1 1 10 TRP HA H -13.323 2.767 0.731 1.00 . A A . 10 TRP HA 1 1 1 151 1 1 10 TRP HB2 H -12.695 1.911 2.958 1.00 . A A . 10 TRP HB2 1 1 1 152 1 1 10 TRP HB3 H -14.127 2.871 3.005 1.00 . A A . 10 TRP HB3 1 1 1 153 1 1 10 TRP HD1 H -16.479 1.510 3.417 1.00 . A A . 10 TRP HD1 1 1 1 154 1 1 10 TRP HE1 H -16.830 -0.763 4.629 1.00 . A A . 10 TRP HE1 1 1 1 155 1 1 10 TRP HE3 H -11.773 -0.134 3.143 1.00 . A A . 10 TRP HE3 1 1 1 156 1 1 10 TRP HH2 H -12.831 -3.700 5.179 1.00 . A A . 10 TRP HH2 1 1 1 157 1 1 10 TRP HZ2 H -15.174 -2.979 5.358 1.00 . A A . 10 TRP HZ2 1 1 1 158 1 1 10 TRP HZ3 H -11.175 -2.269 4.101 1.00 . A A . 10 TRP HZ3 1 1 1 159 1 1 10 TRP N N -15.149 1.833 0.651 1.00 . A A . 10 TRP N 1 1 1 160 1 1 10 TRP NE1 N -15.965 -0.444 4.281 1.00 . A A . 10 TRP NE1 1 1 1 161 1 1 10 TRP O O -11.805 0.753 0.547 1.00 . A A . 10 TRP O 1 1 1 162 1 1 11 LYS C C -12.141 -1.517 -1.089 1.00 . A A . 11 LYS C 1 1 1 163 1 1 11 LYS CA C -12.881 -1.687 0.229 1.00 . A A . 11 LYS CA 1 1 1 164 1 1 11 LYS CB C -13.804 -2.874 0.143 1.00 . A A . 11 LYS CB 1 1 1 165 1 1 11 LYS CD C -14.977 -4.754 1.328 1.00 . A A . 11 LYS CD 1 1 1 166 1 1 11 LYS CE C -16.381 -4.361 0.902 1.00 . A A . 11 LYS CE 1 1 1 167 1 1 11 LYS CG C -14.079 -3.540 1.480 1.00 . A A . 11 LYS CG 1 1 1 168 1 1 11 LYS H H -14.603 -0.518 0.669 1.00 . A A . 11 LYS H 1 1 1 169 1 1 11 LYS HA H -12.154 -1.860 1.016 1.00 . A A . 11 LYS HA 1 1 1 170 1 1 11 LYS HB2 H -14.744 -2.556 -0.282 1.00 . A A . 11 LYS HB2 1 1 1 171 1 1 11 LYS HB3 H -13.349 -3.581 -0.508 1.00 . A A . 11 LYS HB3 1 1 1 172 1 1 11 LYS HD2 H -14.555 -5.409 0.581 1.00 . A A . 11 LYS HD2 1 1 1 173 1 1 11 LYS HD3 H -15.028 -5.271 2.276 1.00 . A A . 11 LYS HD3 1 1 1 174 1 1 11 LYS HE2 H -16.826 -3.766 1.685 1.00 . A A . 11 LYS HE2 1 1 1 175 1 1 11 LYS HE3 H -16.321 -3.775 -0.003 1.00 . A A . 11 LYS HE3 1 1 1 176 1 1 11 LYS HG2 H -13.142 -3.851 1.915 1.00 . A A . 11 LYS HG2 1 1 1 177 1 1 11 LYS HG3 H -14.561 -2.825 2.132 1.00 . A A . 11 LYS HG3 1 1 1 178 1 1 11 LYS HZ1 H -17.340 -6.101 1.529 1.00 . A A . 11 LYS HZ1 1 1 1 179 1 1 11 LYS HZ2 H -16.806 -6.153 -0.075 1.00 . A A . 11 LYS HZ2 1 1 1 180 1 1 11 LYS HZ3 H -18.178 -5.251 0.331 1.00 . A A . 11 LYS HZ3 1 1 1 181 1 1 11 LYS N N -13.628 -0.479 0.563 1.00 . A A . 11 LYS N 1 1 1 182 1 1 11 LYS NZ N -17.235 -5.550 0.655 1.00 . A A . 11 LYS NZ 1 1 1 183 1 1 11 LYS O O -11.033 -2.019 -1.280 1.00 . A A . 11 LYS O 1 1 1 184 1 1 12 THR C C -10.951 0.493 -3.008 1.00 . A A . 12 THR C 1 1 1 185 1 1 12 THR CA C -12.197 -0.382 -3.236 1.00 . A A . 12 THR CA 1 1 1 186 1 1 12 THR CB C -13.296 0.353 -4.028 1.00 . A A . 12 THR CB 1 1 1 187 1 1 12 THR CG2 C -12.776 1.535 -4.830 1.00 . A A . 12 THR CG2 1 1 1 188 1 1 12 THR H H -13.681 -0.476 -1.756 1.00 . A A . 12 THR H 1 1 1 189 1 1 12 THR HA H -11.915 -1.272 -3.778 1.00 . A A . 12 THR HA 1 1 1 190 1 1 12 THR HB H -14.008 0.718 -3.300 1.00 . A A . 12 THR HB 1 1 1 191 1 1 12 THR HG1 H -13.335 -1.117 -5.347 1.00 . A A . 12 THR HG1 1 1 1 192 1 1 12 THR HG21 H -12.062 1.190 -5.561 1.00 . A A . 12 THR HG21 1 1 1 193 1 1 12 THR HG22 H -12.299 2.236 -4.161 1.00 . A A . 12 THR HG22 1 1 1 194 1 1 12 THR HG23 H -13.604 2.019 -5.328 1.00 . A A . 12 THR HG23 1 1 1 195 1 1 12 THR N N -12.773 -0.778 -1.970 1.00 . A A . 12 THR N 1 1 1 196 1 1 12 THR O O -9.978 0.438 -3.766 1.00 . A A . 12 THR O 1 1 1 197 1 1 12 THR OG1 O -13.983 -0.567 -4.888 1.00 . A A . 12 THR OG1 1 1 1 198 1 1 13 LEU C C -8.870 1.214 -0.696 1.00 . A A . 13 LEU C 1 1 1 199 1 1 13 LEU CA C -9.867 2.072 -1.466 1.00 . A A . 13 LEU CA 1 1 1 200 1 1 13 LEU CB C -10.406 3.182 -0.539 1.00 . A A . 13 LEU CB 1 1 1 201 1 1 13 LEU CD1 C -9.277 4.788 1.030 1.00 . A A . 13 LEU CD1 1 1 1 202 1 1 13 LEU CD2 C -10.595 2.875 1.972 1.00 . A A . 13 LEU CD2 1 1 1 203 1 1 13 LEU CG C -9.696 3.342 0.818 1.00 . A A . 13 LEU CG 1 1 1 204 1 1 13 LEU H H -11.821 1.279 -1.401 1.00 . A A . 13 LEU H 1 1 1 205 1 1 13 LEU HA H -9.378 2.513 -2.324 1.00 . A A . 13 LEU HA 1 1 1 206 1 1 13 LEU HB2 H -10.347 4.120 -1.063 1.00 . A A . 13 LEU HB2 1 1 1 207 1 1 13 LEU HB3 H -11.446 2.963 -0.337 1.00 . A A . 13 LEU HB3 1 1 1 208 1 1 13 LEU HD11 H -8.781 4.883 1.984 1.00 . A A . 13 LEU HD11 1 1 1 209 1 1 13 LEU HD12 H -10.152 5.422 1.014 1.00 . A A . 13 LEU HD12 1 1 1 210 1 1 13 LEU HD13 H -8.602 5.087 0.241 1.00 . A A . 13 LEU HD13 1 1 1 211 1 1 13 LEU HD21 H -11.485 3.488 2.015 1.00 . A A . 13 LEU HD21 1 1 1 212 1 1 13 LEU HD22 H -10.061 2.950 2.907 1.00 . A A . 13 LEU HD22 1 1 1 213 1 1 13 LEU HD23 H -10.889 1.838 1.813 1.00 . A A . 13 LEU HD23 1 1 1 214 1 1 13 LEU HG H -8.810 2.731 0.820 1.00 . A A . 13 LEU HG 1 1 1 215 1 1 13 LEU N N -10.992 1.259 -1.926 1.00 . A A . 13 LEU N 1 1 1 216 1 1 13 LEU O O -7.668 1.472 -0.683 1.00 . A A . 13 LEU O 1 1 1 217 1 1 14 TYR C C -7.620 -1.469 0.338 1.00 . A A . 14 TYR C 1 1 1 218 1 1 14 TYR CA C -8.686 -0.571 0.927 1.00 . A A . 14 TYR CA 1 1 1 219 1 1 14 TYR CB C -9.669 -1.412 1.716 1.00 . A A . 14 TYR CB 1 1 1 220 1 1 14 TYR CD1 C -8.472 -3.350 2.727 1.00 . A A . 14 TYR CD1 1 1 1 221 1 1 14 TYR CD2 C -8.908 -1.450 4.093 1.00 . A A . 14 TYR CD2 1 1 1 222 1 1 14 TYR CE1 C -7.827 -3.967 3.762 1.00 . A A . 14 TYR CE1 1 1 1 223 1 1 14 TYR CE2 C -8.267 -2.060 5.149 1.00 . A A . 14 TYR CE2 1 1 1 224 1 1 14 TYR CG C -9.018 -2.090 2.873 1.00 . A A . 14 TYR CG 1 1 1 225 1 1 14 TYR CZ C -7.722 -3.321 4.980 1.00 . A A . 14 TYR CZ 1 1 1 226 1 1 14 TYR H H -10.318 -0.074 -0.295 1.00 . A A . 14 TYR H 1 1 1 227 1 1 14 TYR HA H -8.219 0.132 1.597 1.00 . A A . 14 TYR HA 1 1 1 228 1 1 14 TYR HB2 H -10.454 -0.784 2.088 1.00 . A A . 14 TYR HB2 1 1 1 229 1 1 14 TYR HB3 H -10.088 -2.171 1.073 1.00 . A A . 14 TYR HB3 1 1 1 230 1 1 14 TYR HD1 H -8.562 -3.851 1.776 1.00 . A A . 14 TYR HD1 1 1 1 231 1 1 14 TYR HD2 H -9.354 -0.463 4.213 1.00 . A A . 14 TYR HD2 1 1 1 232 1 1 14 TYR HE1 H -7.404 -4.949 3.613 1.00 . A A . 14 TYR HE1 1 1 1 233 1 1 14 TYR HE2 H -8.182 -1.546 6.091 1.00 . A A . 14 TYR HE2 1 1 1 234 1 1 14 TYR HH H -6.217 -4.256 5.730 1.00 . A A . 14 TYR HH 1 1 1 235 1 1 14 TYR N N -9.396 0.182 -0.078 1.00 . A A . 14 TYR N 1 1 1 236 1 1 14 TYR O O -6.514 -1.559 0.862 1.00 . A A . 14 TYR O 1 1 1 237 1 1 14 TYR OH O -7.079 -3.935 6.029 1.00 . A A . 14 TYR OH 1 1 1 238 1 1 15 LEU C C -5.938 -2.254 -2.068 1.00 . A A . 15 LEU C 1 1 1 239 1 1 15 LEU CA C -7.006 -3.057 -1.347 1.00 . A A . 15 LEU CA 1 1 1 240 1 1 15 LEU CB C -7.724 -4.015 -2.284 1.00 . A A . 15 LEU CB 1 1 1 241 1 1 15 LEU CD1 C -9.753 -5.415 -2.736 1.00 . A A . 15 LEU CD1 1 1 1 242 1 1 15 LEU CD2 C -8.509 -5.674 -0.585 1.00 . A A . 15 LEU CD2 1 1 1 243 1 1 15 LEU CG C -8.943 -4.699 -1.669 1.00 . A A . 15 LEU CG 1 1 1 244 1 1 15 LEU H H -8.829 -2.021 -1.140 1.00 . A A . 15 LEU H 1 1 1 245 1 1 15 LEU HA H -6.544 -3.623 -0.553 1.00 . A A . 15 LEU HA 1 1 1 246 1 1 15 LEU HB2 H -8.033 -3.477 -3.168 1.00 . A A . 15 LEU HB2 1 1 1 247 1 1 15 LEU HB3 H -7.026 -4.780 -2.565 1.00 . A A . 15 LEU HB3 1 1 1 248 1 1 15 LEU HD11 H -10.106 -4.696 -3.461 1.00 . A A . 15 LEU HD11 1 1 1 249 1 1 15 LEU HD12 H -10.597 -5.908 -2.278 1.00 . A A . 15 LEU HD12 1 1 1 250 1 1 15 LEU HD13 H -9.130 -6.146 -3.230 1.00 . A A . 15 LEU HD13 1 1 1 251 1 1 15 LEU HD21 H -7.887 -6.442 -1.020 1.00 . A A . 15 LEU HD21 1 1 1 252 1 1 15 LEU HD22 H -9.380 -6.126 -0.137 1.00 . A A . 15 LEU HD22 1 1 1 253 1 1 15 LEU HD23 H -7.949 -5.143 0.171 1.00 . A A . 15 LEU HD23 1 1 1 254 1 1 15 LEU HG H -9.570 -3.949 -1.212 1.00 . A A . 15 LEU HG 1 1 1 255 1 1 15 LEU N N -7.947 -2.144 -0.739 1.00 . A A . 15 LEU N 1 1 1 256 1 1 15 LEU O O -4.874 -2.761 -2.421 1.00 . A A . 15 LEU O 1 1 1 257 1 1 16 LYS C C -4.385 0.371 -1.560 1.00 . A A . 16 LYS C 1 1 1 258 1 1 16 LYS CA C -5.297 -0.003 -2.725 1.00 . A A . 16 LYS CA 1 1 1 259 1 1 16 LYS CB C -6.085 1.206 -3.266 1.00 . A A . 16 LYS CB 1 1 1 260 1 1 16 LYS CD C -4.953 3.238 -2.358 1.00 . A A . 16 LYS CD 1 1 1 261 1 1 16 LYS CE C -4.256 4.546 -2.693 1.00 . A A . 16 LYS CE 1 1 1 262 1 1 16 LYS CG C -5.253 2.429 -3.605 1.00 . A A . 16 LYS CG 1 1 1 263 1 1 16 LYS H H -7.147 -0.672 -2.035 1.00 . A A . 16 LYS H 1 1 1 264 1 1 16 LYS HA H -4.712 -0.445 -3.515 1.00 . A A . 16 LYS HA 1 1 1 265 1 1 16 LYS HB2 H -6.618 0.908 -4.154 1.00 . A A . 16 LYS HB2 1 1 1 266 1 1 16 LYS HB3 H -6.809 1.495 -2.518 1.00 . A A . 16 LYS HB3 1 1 1 267 1 1 16 LYS HD2 H -5.882 3.444 -1.846 1.00 . A A . 16 LYS HD2 1 1 1 268 1 1 16 LYS HD3 H -4.315 2.645 -1.714 1.00 . A A . 16 LYS HD3 1 1 1 269 1 1 16 LYS HE2 H -3.336 4.325 -3.210 1.00 . A A . 16 LYS HE2 1 1 1 270 1 1 16 LYS HE3 H -4.899 5.123 -3.341 1.00 . A A . 16 LYS HE3 1 1 1 271 1 1 16 LYS HG2 H -4.325 2.109 -4.052 1.00 . A A . 16 LYS HG2 1 1 1 272 1 1 16 LYS HG3 H -5.801 3.044 -4.303 1.00 . A A . 16 LYS HG3 1 1 1 273 1 1 16 LYS HZ1 H -3.372 4.791 -0.816 1.00 . A A . 16 LYS HZ1 1 1 1 274 1 1 16 LYS HZ2 H -4.826 5.632 -1.002 1.00 . A A . 16 LYS HZ2 1 1 1 275 1 1 16 LYS HZ3 H -3.419 6.205 -1.740 1.00 . A A . 16 LYS HZ3 1 1 1 276 1 1 16 LYS N N -6.244 -0.977 -2.250 1.00 . A A . 16 LYS N 1 1 1 277 1 1 16 LYS NZ N -3.947 5.347 -1.478 1.00 . A A . 16 LYS NZ 1 1 1 278 1 1 16 LYS O O -3.173 0.527 -1.715 1.00 . A A . 16 LYS O 1 1 1 279 1 1 17 ILE C C -3.329 -0.381 1.195 1.00 . A A . 17 ILE C 1 1 1 280 1 1 17 ILE CA C -4.288 0.758 0.851 1.00 . A A . 17 ILE CA 1 1 1 281 1 1 17 ILE CB C -5.306 0.989 1.996 1.00 . A A . 17 ILE CB 1 1 1 282 1 1 17 ILE CD1 C -6.809 2.762 3.050 1.00 . A A . 17 ILE CD1 1 1 1 283 1 1 17 ILE CG1 C -5.771 2.450 1.993 1.00 . A A . 17 ILE CG1 1 1 1 284 1 1 17 ILE CG2 C -4.741 0.592 3.351 1.00 . A A . 17 ILE CG2 1 1 1 285 1 1 17 ILE H H -5.966 0.371 -0.342 1.00 . A A . 17 ILE H 1 1 1 286 1 1 17 ILE HA H -3.726 1.661 0.709 1.00 . A A . 17 ILE HA 1 1 1 287 1 1 17 ILE HB H -6.160 0.359 1.804 1.00 . A A . 17 ILE HB 1 1 1 288 1 1 17 ILE HD11 H -6.403 2.550 4.028 1.00 . A A . 17 ILE HD11 1 1 1 289 1 1 17 ILE HD12 H -7.686 2.154 2.884 1.00 . A A . 17 ILE HD12 1 1 1 290 1 1 17 ILE HD13 H -7.078 3.805 2.991 1.00 . A A . 17 ILE HD13 1 1 1 291 1 1 17 ILE HG12 H -4.920 3.090 2.169 1.00 . A A . 17 ILE HG12 1 1 1 292 1 1 17 ILE HG13 H -6.197 2.683 1.026 1.00 . A A . 17 ILE HG13 1 1 1 293 1 1 17 ILE HG21 H -5.523 0.646 4.097 1.00 . A A . 17 ILE HG21 1 1 1 294 1 1 17 ILE HG22 H -3.938 1.259 3.617 1.00 . A A . 17 ILE HG22 1 1 1 295 1 1 17 ILE HG23 H -4.368 -0.419 3.296 1.00 . A A . 17 ILE HG23 1 1 1 296 1 1 17 ILE N N -4.994 0.481 -0.383 1.00 . A A . 17 ILE N 1 1 1 297 1 1 17 ILE O O -2.195 -0.152 1.617 1.00 . A A . 17 ILE O 1 1 1 298 1 1 18 SER C C -1.809 -2.821 0.229 1.00 . A A . 18 SER C 1 1 1 299 1 1 18 SER CA C -2.970 -2.784 1.221 1.00 . A A . 18 SER CA 1 1 1 300 1 1 18 SER CB C -3.818 -4.049 1.074 1.00 . A A . 18 SER CB 1 1 1 301 1 1 18 SER H H -4.718 -1.721 0.689 1.00 . A A . 18 SER H 1 1 1 302 1 1 18 SER HA H -2.577 -2.732 2.225 1.00 . A A . 18 SER HA 1 1 1 303 1 1 18 SER HB2 H -4.763 -3.911 1.579 1.00 . A A . 18 SER HB2 1 1 1 304 1 1 18 SER HB3 H -3.994 -4.237 0.020 1.00 . A A . 18 SER HB3 1 1 1 305 1 1 18 SER HG H -2.748 -4.917 2.466 1.00 . A A . 18 SER HG 1 1 1 306 1 1 18 SER N N -3.789 -1.606 0.990 1.00 . A A . 18 SER N 1 1 1 307 1 1 18 SER O O -0.706 -3.265 0.553 1.00 . A A . 18 SER O 1 1 1 308 1 1 18 SER OG O -3.164 -5.173 1.630 1.00 . A A . 18 SER OG 1 1 1 309 1 1 19 PHE C C -0.010 -1.299 -1.813 1.00 . A A . 19 PHE C 1 1 1 310 1 1 19 PHE CA C -1.074 -2.363 -2.036 1.00 . A A . 19 PHE CA 1 1 1 311 1 1 19 PHE CB C -1.735 -2.152 -3.393 1.00 . A A . 19 PHE CB 1 1 1 312 1 1 19 PHE CD1 C -0.166 -1.369 -5.187 1.00 . A A . 19 PHE CD1 1 1 1 313 1 1 19 PHE CD2 C -0.571 -3.706 -4.960 1.00 . A A . 19 PHE CD2 1 1 1 314 1 1 19 PHE CE1 C 0.694 -1.615 -6.241 1.00 . A A . 19 PHE CE1 1 1 1 315 1 1 19 PHE CE2 C 0.286 -3.962 -6.013 1.00 . A A . 19 PHE CE2 1 1 1 316 1 1 19 PHE CG C -0.805 -2.412 -4.538 1.00 . A A . 19 PHE CG 1 1 1 317 1 1 19 PHE CZ C 0.919 -2.914 -6.656 1.00 . A A . 19 PHE CZ 1 1 1 318 1 1 19 PHE H H -2.951 -1.955 -1.163 1.00 . A A . 19 PHE H 1 1 1 319 1 1 19 PHE HA H -0.603 -3.333 -2.023 1.00 . A A . 19 PHE HA 1 1 1 320 1 1 19 PHE HB2 H -2.576 -2.821 -3.486 1.00 . A A . 19 PHE HB2 1 1 1 321 1 1 19 PHE HB3 H -2.081 -1.129 -3.465 1.00 . A A . 19 PHE HB3 1 1 1 322 1 1 19 PHE HD1 H -0.341 -0.354 -4.858 1.00 . A A . 19 PHE HD1 1 1 1 323 1 1 19 PHE HD2 H -1.065 -4.524 -4.451 1.00 . A A . 19 PHE HD2 1 1 1 324 1 1 19 PHE HE1 H 1.187 -0.794 -6.740 1.00 . A A . 19 PHE HE1 1 1 1 325 1 1 19 PHE HE2 H 0.461 -4.979 -6.334 1.00 . A A . 19 PHE HE2 1 1 1 326 1 1 19 PHE HZ H 1.590 -3.111 -7.480 1.00 . A A . 19 PHE HZ 1 1 1 327 1 1 19 PHE N N -2.066 -2.336 -0.979 1.00 . A A . 19 PHE N 1 1 1 328 1 1 19 PHE O O 1.175 -1.609 -1.689 1.00 . A A . 19 PHE O 1 1 1 329 1 1 20 LEU C C 1.136 1.069 -0.240 1.00 . A A . 20 LEU C 1 1 1 330 1 1 20 LEU CA C 0.492 1.065 -1.613 1.00 . A A . 20 LEU CA 1 1 1 331 1 1 20 LEU CB C -0.187 2.407 -1.887 1.00 . A A . 20 LEU CB 1 1 1 332 1 1 20 LEU CD1 C -1.415 1.983 -4.030 1.00 . A A . 20 LEU CD1 1 1 1 333 1 1 20 LEU CD2 C -0.553 4.274 -3.513 1.00 . A A . 20 LEU CD2 1 1 1 334 1 1 20 LEU CG C -0.311 2.782 -3.363 1.00 . A A . 20 LEU CG 1 1 1 335 1 1 20 LEU H H -1.401 0.142 -1.822 1.00 . A A . 20 LEU H 1 1 1 336 1 1 20 LEU HA H 1.271 0.923 -2.348 1.00 . A A . 20 LEU HA 1 1 1 337 1 1 20 LEU HB2 H -1.179 2.370 -1.466 1.00 . A A . 20 LEU HB2 1 1 1 338 1 1 20 LEU HB3 H 0.373 3.180 -1.386 1.00 . A A . 20 LEU HB3 1 1 1 339 1 1 20 LEU HD11 H -1.258 0.932 -3.841 1.00 . A A . 20 LEU HD11 1 1 1 340 1 1 20 LEU HD12 H -1.399 2.165 -5.094 1.00 . A A . 20 LEU HD12 1 1 1 341 1 1 20 LEU HD13 H -2.369 2.282 -3.627 1.00 . A A . 20 LEU HD13 1 1 1 342 1 1 20 LEU HD21 H -1.410 4.562 -2.924 1.00 . A A . 20 LEU HD21 1 1 1 343 1 1 20 LEU HD22 H -0.736 4.507 -4.552 1.00 . A A . 20 LEU HD22 1 1 1 344 1 1 20 LEU HD23 H 0.317 4.816 -3.172 1.00 . A A . 20 LEU HD23 1 1 1 345 1 1 20 LEU HG H 0.616 2.543 -3.862 1.00 . A A . 20 LEU HG 1 1 1 346 1 1 20 LEU N N -0.437 -0.043 -1.760 1.00 . A A . 20 LEU N 1 1 1 347 1 1 20 LEU O O 2.226 1.593 -0.077 1.00 . A A . 20 LEU O 1 1 1 348 1 1 21 GLY C C 2.351 -0.524 1.950 1.00 . A A . 21 GLY C 1 1 1 349 1 1 21 GLY CA C 1.096 0.317 2.046 1.00 . A A . 21 GLY CA 1 1 1 350 1 1 21 GLY H H -0.440 0.154 0.591 1.00 . A A . 21 GLY H 1 1 1 351 1 1 21 GLY HA2 H 1.350 1.291 2.437 1.00 . A A . 21 GLY HA2 1 1 1 352 1 1 21 GLY HA3 H 0.401 -0.166 2.715 1.00 . A A . 21 GLY HA3 1 1 1 353 1 1 21 GLY N N 0.475 0.475 0.743 1.00 . A A . 21 GLY N 1 1 1 354 1 1 21 GLY O O 3.363 -0.241 2.595 1.00 . A A . 21 GLY O 1 1 1 355 1 1 22 CYS C C 4.426 -1.708 -0.060 1.00 . A A . 22 CYS C 1 1 1 356 1 1 22 CYS CA C 3.413 -2.413 0.841 1.00 . A A . 22 CYS CA 1 1 1 357 1 1 22 CYS CB C 2.931 -3.712 0.185 1.00 . A A . 22 CYS CB 1 1 1 358 1 1 22 CYS H H 1.439 -1.724 0.654 1.00 . A A . 22 CYS H 1 1 1 359 1 1 22 CYS HA H 3.886 -2.647 1.784 1.00 . A A . 22 CYS HA 1 1 1 360 1 1 22 CYS HB2 H 2.230 -4.200 0.845 1.00 . A A . 22 CYS HB2 1 1 1 361 1 1 22 CYS HB3 H 2.432 -3.474 -0.746 1.00 . A A . 22 CYS HB3 1 1 1 362 1 1 22 CYS HG H 5.270 -4.217 -0.689 1.00 . A A . 22 CYS HG 1 1 1 363 1 1 22 CYS N N 2.283 -1.546 1.108 1.00 . A A . 22 CYS N 1 1 1 364 1 1 22 CYS O O 5.619 -1.976 0.009 1.00 . A A . 22 CYS O 1 1 1 365 1 1 22 CYS SG S 4.248 -4.894 -0.182 1.00 . A A . 22 CYS SG 1 1 1 366 1 1 23 LYS C C 5.515 1.088 -1.091 1.00 . A A . 23 LYS C 1 1 1 367 1 1 23 LYS CA C 4.847 -0.082 -1.802 1.00 . A A . 23 LYS CA 1 1 1 368 1 1 23 LYS CB C 4.092 0.402 -3.042 1.00 . A A . 23 LYS CB 1 1 1 369 1 1 23 LYS CD C 4.194 1.537 -5.283 1.00 . A A . 23 LYS CD 1 1 1 370 1 1 23 LYS CE C 5.094 2.215 -6.303 1.00 . A A . 23 LYS CE 1 1 1 371 1 1 23 LYS CG C 4.987 1.055 -4.082 1.00 . A A . 23 LYS CG 1 1 1 372 1 1 23 LYS H H 2.989 -0.609 -0.922 1.00 . A A . 23 LYS H 1 1 1 373 1 1 23 LYS HA H 5.618 -0.769 -2.103 1.00 . A A . 23 LYS HA 1 1 1 374 1 1 23 LYS HB2 H 3.597 -0.441 -3.501 1.00 . A A . 23 LYS HB2 1 1 1 375 1 1 23 LYS HB3 H 3.348 1.123 -2.736 1.00 . A A . 23 LYS HB3 1 1 1 376 1 1 23 LYS HD2 H 3.711 0.692 -5.749 1.00 . A A . 23 LYS HD2 1 1 1 377 1 1 23 LYS HD3 H 3.447 2.243 -4.949 1.00 . A A . 23 LYS HD3 1 1 1 378 1 1 23 LYS HE2 H 5.828 1.501 -6.648 1.00 . A A . 23 LYS HE2 1 1 1 379 1 1 23 LYS HE3 H 4.491 2.542 -7.138 1.00 . A A . 23 LYS HE3 1 1 1 380 1 1 23 LYS HG2 H 5.489 1.898 -3.632 1.00 . A A . 23 LYS HG2 1 1 1 381 1 1 23 LYS HG3 H 5.719 0.334 -4.413 1.00 . A A . 23 LYS HG3 1 1 1 382 1 1 23 LYS HZ1 H 6.382 3.851 -6.452 1.00 . A A . 23 LYS HZ1 1 1 1 383 1 1 23 LYS HZ2 H 6.418 3.090 -4.948 1.00 . A A . 23 LYS HZ2 1 1 1 384 1 1 23 LYS HZ3 H 5.113 4.079 -5.363 1.00 . A A . 23 LYS HZ3 1 1 1 385 1 1 23 LYS N N 3.954 -0.796 -0.900 1.00 . A A . 23 LYS N 1 1 1 386 1 1 23 LYS NZ N 5.801 3.390 -5.727 1.00 . A A . 23 LYS NZ 1 1 1 387 1 1 23 LYS O O 6.625 1.492 -1.438 1.00 . A A . 23 LYS O 1 1 1 388 1 1 24 VAL C C 6.216 2.063 1.890 1.00 . A A . 24 VAL C 1 1 1 389 1 1 24 VAL CA C 5.431 2.675 0.718 1.00 . A A . 24 VAL CA 1 1 1 390 1 1 24 VAL CB C 4.347 3.681 1.165 1.00 . A A . 24 VAL CB 1 1 1 391 1 1 24 VAL CG1 C 4.895 4.762 2.071 1.00 . A A . 24 VAL CG1 1 1 1 392 1 1 24 VAL CG2 C 3.718 4.309 -0.064 1.00 . A A . 24 VAL CG2 1 1 1 393 1 1 24 VAL H H 3.945 1.307 0.122 1.00 . A A . 24 VAL H 1 1 1 394 1 1 24 VAL HA H 6.131 3.203 0.082 1.00 . A A . 24 VAL HA 1 1 1 395 1 1 24 VAL HB H 3.590 3.150 1.695 1.00 . A A . 24 VAL HB 1 1 1 396 1 1 24 VAL HG11 H 5.525 5.421 1.500 1.00 . A A . 24 VAL HG11 1 1 1 397 1 1 24 VAL HG12 H 5.477 4.301 2.854 1.00 . A A . 24 VAL HG12 1 1 1 398 1 1 24 VAL HG13 H 4.079 5.320 2.503 1.00 . A A . 24 VAL HG13 1 1 1 399 1 1 24 VAL HG21 H 3.021 5.076 0.237 1.00 . A A . 24 VAL HG21 1 1 1 400 1 1 24 VAL HG22 H 3.200 3.550 -0.631 1.00 . A A . 24 VAL HG22 1 1 1 401 1 1 24 VAL HG23 H 4.497 4.747 -0.677 1.00 . A A . 24 VAL HG23 1 1 1 402 1 1 24 VAL N N 4.855 1.620 -0.082 1.00 . A A . 24 VAL N 1 1 1 403 1 1 24 VAL O O 6.596 2.722 2.858 1.00 . A A . 24 VAL O 1 1 1 404 1 1 25 VAL C C 8.782 0.178 1.725 1.00 . A A . 25 VAL C 1 1 1 405 1 1 25 VAL CA C 7.503 0.134 2.556 1.00 . A A . 25 VAL CA 1 1 1 406 1 1 25 VAL CB C 7.145 -1.332 2.889 1.00 . A A . 25 VAL CB 1 1 1 407 1 1 25 VAL CG1 C 7.825 -2.302 1.928 1.00 . A A . 25 VAL CG1 1 1 1 408 1 1 25 VAL CG2 C 7.488 -1.660 4.330 1.00 . A A . 25 VAL CG2 1 1 1 409 1 1 25 VAL H H 5.916 0.232 1.171 1.00 . A A . 25 VAL H 1 1 1 410 1 1 25 VAL HA H 7.643 0.687 3.474 1.00 . A A . 25 VAL HA 1 1 1 411 1 1 25 VAL HB H 6.081 -1.442 2.766 1.00 . A A . 25 VAL HB 1 1 1 412 1 1 25 VAL HG11 H 8.895 -2.131 1.945 1.00 . A A . 25 VAL HG11 1 1 1 413 1 1 25 VAL HG12 H 7.452 -2.133 0.924 1.00 . A A . 25 VAL HG12 1 1 1 414 1 1 25 VAL HG13 H 7.615 -3.318 2.226 1.00 . A A . 25 VAL HG13 1 1 1 415 1 1 25 VAL HG21 H 6.952 -0.992 4.986 1.00 . A A . 25 VAL HG21 1 1 1 416 1 1 25 VAL HG22 H 8.550 -1.545 4.485 1.00 . A A . 25 VAL HG22 1 1 1 417 1 1 25 VAL HG23 H 7.199 -2.679 4.543 1.00 . A A . 25 VAL HG23 1 1 1 418 1 1 25 VAL N N 6.460 0.772 1.780 1.00 . A A . 25 VAL N 1 1 1 419 1 1 25 VAL O O 9.894 0.263 2.242 1.00 . A A . 25 VAL O 1 1 1 420 1 1 26 VAL C C 10.418 1.352 -0.648 1.00 . A A . 26 VAL C 1 1 1 421 1 1 26 VAL CA C 9.640 0.070 -0.564 1.00 . A A . 26 VAL CA 1 1 1 422 1 1 26 VAL CB C 9.067 -0.245 -1.954 1.00 . A A . 26 VAL CB 1 1 1 423 1 1 26 VAL CG1 C 10.158 -0.247 -3.013 1.00 . A A . 26 VAL CG1 1 1 1 424 1 1 26 VAL CG2 C 8.335 -1.575 -1.937 1.00 . A A . 26 VAL CG2 1 1 1 425 1 1 26 VAL H H 7.651 0.217 0.085 1.00 . A A . 26 VAL H 1 1 1 426 1 1 26 VAL HA H 10.295 -0.721 -0.277 1.00 . A A . 26 VAL HA 1 1 1 427 1 1 26 VAL HB H 8.354 0.535 -2.195 1.00 . A A . 26 VAL HB 1 1 1 428 1 1 26 VAL HG11 H 10.902 -0.987 -2.762 1.00 . A A . 26 VAL HG11 1 1 1 429 1 1 26 VAL HG12 H 10.620 0.729 -3.056 1.00 . A A . 26 VAL HG12 1 1 1 430 1 1 26 VAL HG13 H 9.726 -0.482 -3.974 1.00 . A A . 26 VAL HG13 1 1 1 431 1 1 26 VAL HG21 H 7.517 -1.525 -1.235 1.00 . A A . 26 VAL HG21 1 1 1 432 1 1 26 VAL HG22 H 9.019 -2.356 -1.637 1.00 . A A . 26 VAL HG22 1 1 1 433 1 1 26 VAL HG23 H 7.952 -1.791 -2.923 1.00 . A A . 26 VAL HG23 1 1 1 434 1 1 26 VAL N N 8.574 0.163 0.411 1.00 . A A . 26 VAL N 1 1 1 435 1 1 26 VAL O O 11.641 1.358 -0.566 1.00 . A A . 26 VAL O 1 1 1 436 1 1 27 LEU C C 11.134 4.140 0.249 1.00 . A A . 27 LEU C 1 1 1 437 1 1 27 LEU CA C 10.289 3.745 -0.973 1.00 . A A . 27 LEU CA 1 1 1 438 1 1 27 LEU CB C 9.219 4.796 -1.334 1.00 . A A . 27 LEU CB 1 1 1 439 1 1 27 LEU CD1 C 6.929 5.622 -0.823 1.00 . A A . 27 LEU CD1 1 1 1 440 1 1 27 LEU CD2 C 8.145 4.361 0.921 1.00 . A A . 27 LEU CD2 1 1 1 441 1 1 27 LEU CG C 8.289 5.325 -0.231 1.00 . A A . 27 LEU CG 1 1 1 442 1 1 27 LEU H H 8.718 2.338 -0.860 1.00 . A A . 27 LEU H 1 1 1 443 1 1 27 LEU HA H 10.952 3.659 -1.810 1.00 . A A . 27 LEU HA 1 1 1 444 1 1 27 LEU HB2 H 9.726 5.646 -1.761 1.00 . A A . 27 LEU HB2 1 1 1 445 1 1 27 LEU HB3 H 8.592 4.363 -2.101 1.00 . A A . 27 LEU HB3 1 1 1 446 1 1 27 LEU HD11 H 6.499 4.703 -1.195 1.00 . A A . 27 LEU HD11 1 1 1 447 1 1 27 LEU HD12 H 7.032 6.327 -1.631 1.00 . A A . 27 LEU HD12 1 1 1 448 1 1 27 LEU HD13 H 6.286 6.034 -0.062 1.00 . A A . 27 LEU HD13 1 1 1 449 1 1 27 LEU HD21 H 9.039 4.385 1.524 1.00 . A A . 27 LEU HD21 1 1 1 450 1 1 27 LEU HD22 H 8.004 3.358 0.533 1.00 . A A . 27 LEU HD22 1 1 1 451 1 1 27 LEU HD23 H 7.292 4.637 1.523 1.00 . A A . 27 LEU HD23 1 1 1 452 1 1 27 LEU HG H 8.693 6.251 0.153 1.00 . A A . 27 LEU HG 1 1 1 453 1 1 27 LEU N N 9.690 2.433 -0.812 1.00 . A A . 27 LEU N 1 1 1 454 1 1 27 LEU O O 11.957 5.049 0.175 1.00 . A A . 27 LEU O 1 1 1 455 1 1 28 LEU C C 13.143 3.077 2.285 1.00 . A A . 28 LEU C 1 1 1 456 1 1 28 LEU CA C 11.749 3.625 2.557 1.00 . A A . 28 LEU CA 1 1 1 457 1 1 28 LEU CB C 11.142 2.895 3.757 1.00 . A A . 28 LEU CB 1 1 1 458 1 1 28 LEU CD1 C 9.226 2.492 5.316 1.00 . A A . 28 LEU CD1 1 1 1 459 1 1 28 LEU CD2 C 9.703 4.806 4.508 1.00 . A A . 28 LEU CD2 1 1 1 460 1 1 28 LEU CG C 9.730 3.329 4.152 1.00 . A A . 28 LEU CG 1 1 1 461 1 1 28 LEU H H 10.157 2.821 1.410 1.00 . A A . 28 LEU H 1 1 1 462 1 1 28 LEU HA H 11.817 4.680 2.774 1.00 . A A . 28 LEU HA 1 1 1 463 1 1 28 LEU HB2 H 11.118 1.839 3.531 1.00 . A A . 28 LEU HB2 1 1 1 464 1 1 28 LEU HB3 H 11.790 3.046 4.607 1.00 . A A . 28 LEU HB3 1 1 1 465 1 1 28 LEU HD11 H 9.864 2.643 6.173 1.00 . A A . 28 LEU HD11 1 1 1 466 1 1 28 LEU HD12 H 9.236 1.448 5.038 1.00 . A A . 28 LEU HD12 1 1 1 467 1 1 28 LEU HD13 H 8.217 2.787 5.561 1.00 . A A . 28 LEU HD13 1 1 1 468 1 1 28 LEU HD21 H 9.979 5.390 3.643 1.00 . A A . 28 LEU HD21 1 1 1 469 1 1 28 LEU HD22 H 10.403 4.997 5.310 1.00 . A A . 28 LEU HD22 1 1 1 470 1 1 28 LEU HD23 H 8.709 5.082 4.826 1.00 . A A . 28 LEU HD23 1 1 1 471 1 1 28 LEU HG H 9.068 3.171 3.313 1.00 . A A . 28 LEU HG 1 1 1 472 1 1 28 LEU N N 10.914 3.453 1.375 1.00 . A A . 28 LEU N 1 1 1 473 1 1 28 LEU O O 14.153 3.689 2.641 1.00 . A A . 28 LEU O 1 1 1 474 1 1 29 LYS C C 15.029 1.879 0.020 1.00 . A A . 29 LYS C 1 1 1 475 1 1 29 LYS CA C 14.450 1.281 1.300 1.00 . A A . 29 LYS CA 1 1 1 476 1 1 29 LYS CB C 14.270 -0.235 1.133 1.00 . A A . 29 LYS CB 1 1 1 477 1 1 29 LYS CD C 12.765 -0.686 3.119 1.00 . A A . 29 LYS CD 1 1 1 478 1 1 29 LYS CE C 12.614 -1.425 4.439 1.00 . A A . 29 LYS CE 1 1 1 479 1 1 29 LYS CG C 14.092 -0.999 2.444 1.00 . A A . 29 LYS CG 1 1 1 480 1 1 29 LYS H H 12.340 1.480 1.379 1.00 . A A . 29 LYS H 1 1 1 481 1 1 29 LYS HA H 15.140 1.465 2.109 1.00 . A A . 29 LYS HA 1 1 1 482 1 1 29 LYS HB2 H 13.400 -0.413 0.522 1.00 . A A . 29 LYS HB2 1 1 1 483 1 1 29 LYS HB3 H 15.138 -0.632 0.627 1.00 . A A . 29 LYS HB3 1 1 1 484 1 1 29 LYS HD2 H 12.712 0.375 3.307 1.00 . A A . 29 LYS HD2 1 1 1 485 1 1 29 LYS HD3 H 11.960 -0.976 2.459 1.00 . A A . 29 LYS HD3 1 1 1 486 1 1 29 LYS HE2 H 13.433 -1.150 5.086 1.00 . A A . 29 LYS HE2 1 1 1 487 1 1 29 LYS HE3 H 11.682 -1.128 4.895 1.00 . A A . 29 LYS HE3 1 1 1 488 1 1 29 LYS HG2 H 14.135 -2.057 2.238 1.00 . A A . 29 LYS HG2 1 1 1 489 1 1 29 LYS HG3 H 14.896 -0.731 3.113 1.00 . A A . 29 LYS HG3 1 1 1 490 1 1 29 LYS HZ1 H 11.860 -3.189 3.610 1.00 . A A . 29 LYS HZ1 1 1 1 491 1 1 29 LYS HZ2 H 12.457 -3.370 5.179 1.00 . A A . 29 LYS HZ2 1 1 1 492 1 1 29 LYS HZ3 H 13.530 -3.219 3.881 1.00 . A A . 29 LYS HZ3 1 1 1 493 1 1 29 LYS N N 13.187 1.920 1.639 1.00 . A A . 29 LYS N 1 1 1 494 1 1 29 LYS NZ N 12.617 -2.903 4.263 1.00 . A A . 29 LYS NZ 1 1 1 495 1 1 29 LYS O O 16.238 2.067 -0.097 1.00 . A A . 29 LYS O 1 1 1 496 1 1 30 ARG C C 14.251 4.191 -2.335 1.00 . A A . 30 ARG C 1 1 1 497 1 1 30 ARG CA C 14.581 2.708 -2.220 1.00 . A A . 30 ARG CA 1 1 1 498 1 1 30 ARG CB C 13.903 1.934 -3.355 1.00 . A A . 30 ARG CB 1 1 1 499 1 1 30 ARG CD C 15.582 0.064 -3.323 1.00 . A A . 30 ARG CD 1 1 1 500 1 1 30 ARG CG C 14.110 0.431 -3.285 1.00 . A A . 30 ARG CG 1 1 1 501 1 1 30 ARG CZ C 16.983 -1.961 -3.143 1.00 . A A . 30 ARG CZ 1 1 1 502 1 1 30 ARG H H 13.196 2.071 -0.752 1.00 . A A . 30 ARG H 1 1 1 503 1 1 30 ARG HA H 15.650 2.581 -2.295 1.00 . A A . 30 ARG HA 1 1 1 504 1 1 30 ARG HB2 H 12.841 2.129 -3.324 1.00 . A A . 30 ARG HB2 1 1 1 505 1 1 30 ARG HB3 H 14.296 2.285 -4.299 1.00 . A A . 30 ARG HB3 1 1 1 506 1 1 30 ARG HD2 H 16.011 0.434 -4.243 1.00 . A A . 30 ARG HD2 1 1 1 507 1 1 30 ARG HD3 H 16.078 0.530 -2.485 1.00 . A A . 30 ARG HD3 1 1 1 508 1 1 30 ARG HE H 14.986 -1.952 -3.284 1.00 . A A . 30 ARG HE 1 1 1 509 1 1 30 ARG HG2 H 13.682 0.061 -2.365 1.00 . A A . 30 ARG HG2 1 1 1 510 1 1 30 ARG HG3 H 13.611 -0.029 -4.125 1.00 . A A . 30 ARG HG3 1 1 1 511 1 1 30 ARG HH11 H 18.020 -0.217 -3.108 1.00 . A A . 30 ARG HH11 1 1 1 512 1 1 30 ARG HH12 H 18.983 -1.658 -3.009 1.00 . A A . 30 ARG HH12 1 1 1 513 1 1 30 ARG HH21 H 16.251 -3.849 -3.123 1.00 . A A . 30 ARG HH21 1 1 1 514 1 1 30 ARG HH22 H 17.975 -3.722 -3.010 1.00 . A A . 30 ARG HH22 1 1 1 515 1 1 30 ARG N N 14.158 2.187 -0.928 1.00 . A A . 30 ARG N 1 1 1 516 1 1 30 ARG NE N 15.787 -1.382 -3.250 1.00 . A A . 30 ARG NE 1 1 1 517 1 1 30 ARG NH1 N 18.083 -1.219 -3.080 1.00 . A A . 30 ARG NH1 1 1 1 518 1 1 30 ARG NH2 N 17.077 -3.282 -3.088 1.00 . A A . 30 ARG NH2 1 1 1 519 1 1 30 ARG O O 13.178 4.525 -2.881 1.00 . A A . 30 ARG O 1 1 1 520 1 1 30 ARG OXT O 15.062 5.018 -1.871 1.00 . A A . 30 ARG OXT 1 1 2 521 1 1 1 MET C C -15.871 13.698 13.517 1.00 . A A . 1 MET C 1 1 2 522 1 1 1 MET CA C -16.233 15.146 13.225 1.00 . A A . 1 MET CA 1 1 2 523 1 1 1 MET CB C -16.226 15.380 11.712 1.00 . A A . 1 MET CB 1 1 2 524 1 1 1 MET CE C -17.826 15.564 8.961 1.00 . A A . 1 MET CE 1 1 2 525 1 1 1 MET CG C -16.829 16.709 11.289 1.00 . A A . 1 MET CG 1 1 2 526 1 1 1 MET H1 H -15.533 17.053 13.696 1.00 . A A . 1 MET H1 1 1 2 527 1 1 1 MET H2 H -14.320 15.879 13.598 1.00 . A A . 1 MET H2 1 1 2 528 1 1 1 MET H3 H -15.347 15.923 14.939 1.00 . A A . 1 MET H3 1 1 2 529 1 1 1 MET HA H -17.226 15.335 13.607 1.00 . A A . 1 MET HA 1 1 2 530 1 1 1 MET HB2 H -15.207 15.346 11.362 1.00 . A A . 1 MET HB2 1 1 2 531 1 1 1 MET HB3 H -16.785 14.587 11.236 1.00 . A A . 1 MET HB3 1 1 2 532 1 1 1 MET HE1 H -18.796 15.619 9.435 1.00 . A A . 1 MET HE1 1 1 2 533 1 1 1 MET HE2 H -17.345 14.636 9.234 1.00 . A A . 1 MET HE2 1 1 2 534 1 1 1 MET HE3 H -17.947 15.603 7.890 1.00 . A A . 1 MET HE3 1 1 2 535 1 1 1 MET HG2 H -17.850 16.749 11.635 1.00 . A A . 1 MET HG2 1 1 2 536 1 1 1 MET HG3 H -16.263 17.506 11.746 1.00 . A A . 1 MET HG3 1 1 2 537 1 1 1 MET N N -15.294 16.064 13.910 1.00 . A A . 1 MET N 1 1 2 538 1 1 1 MET O O -14.720 13.385 13.823 1.00 . A A . 1 MET O 1 1 2 539 1 1 1 MET SD S -16.817 16.944 9.501 1.00 . A A . 1 MET SD 1 1 2 540 1 1 2 ALA C C -17.404 10.599 12.587 1.00 . A A . 2 ALA C 1 1 2 541 1 1 2 ALA CA C -16.663 11.401 13.647 1.00 . A A . 2 ALA CA 1 1 2 542 1 1 2 ALA CB C -17.142 11.015 15.036 1.00 . A A . 2 ALA CB 1 1 2 543 1 1 2 ALA H H -17.763 13.147 13.209 1.00 . A A . 2 ALA H 1 1 2 544 1 1 2 ALA HA H -15.604 11.192 13.577 1.00 . A A . 2 ALA HA 1 1 2 545 1 1 2 ALA HB1 H -16.976 9.960 15.193 1.00 . A A . 2 ALA HB1 1 1 2 546 1 1 2 ALA HB2 H -18.194 11.231 15.125 1.00 . A A . 2 ALA HB2 1 1 2 547 1 1 2 ALA HB3 H -16.594 11.580 15.775 1.00 . A A . 2 ALA HB3 1 1 2 548 1 1 2 ALA N N -16.862 12.824 13.425 1.00 . A A . 2 ALA N 1 1 2 549 1 1 2 ALA O O -17.865 9.483 12.833 1.00 . A A . 2 ALA O 1 1 2 550 1 1 3 THR C C -17.342 9.620 9.532 1.00 . A A . 3 THR C 1 1 2 551 1 1 3 THR CA C -18.247 10.571 10.315 1.00 . A A . 3 THR CA 1 1 2 552 1 1 3 THR CB C -18.812 11.654 9.378 1.00 . A A . 3 THR CB 1 1 2 553 1 1 3 THR CG2 C -19.766 11.056 8.354 1.00 . A A . 3 THR CG2 1 1 2 554 1 1 3 THR H H -17.076 12.045 11.258 1.00 . A A . 3 THR H 1 1 2 555 1 1 3 THR HA H -19.071 10.013 10.732 1.00 . A A . 3 THR HA 1 1 2 556 1 1 3 THR HB H -17.991 12.122 8.856 1.00 . A A . 3 THR HB 1 1 2 557 1 1 3 THR HG1 H -20.453 12.489 10.102 1.00 . A A . 3 THR HG1 1 1 2 558 1 1 3 THR HG21 H -20.147 11.840 7.718 1.00 . A A . 3 THR HG21 1 1 2 559 1 1 3 THR HG22 H -20.587 10.577 8.864 1.00 . A A . 3 THR HG22 1 1 2 560 1 1 3 THR HG23 H -19.240 10.330 7.754 1.00 . A A . 3 THR HG23 1 1 2 561 1 1 3 THR N N -17.514 11.183 11.405 1.00 . A A . 3 THR N 1 1 2 562 1 1 3 THR O O -16.281 10.015 9.048 1.00 . A A . 3 THR O 1 1 2 563 1 1 3 THR OG1 O -19.502 12.647 10.156 1.00 . A A . 3 THR OG1 1 1 2 564 1 1 4 LYS C C -16.959 7.586 7.242 1.00 . A A . 4 LYS C 1 1 2 565 1 1 4 LYS CA C -16.983 7.345 8.743 1.00 . A A . 4 LYS CA 1 1 2 566 1 1 4 LYS CB C -17.554 5.955 9.030 1.00 . A A . 4 LYS CB 1 1 2 567 1 1 4 LYS CD C -17.426 3.475 8.598 1.00 . A A . 4 LYS CD 1 1 2 568 1 1 4 LYS CE C -17.425 3.138 10.076 1.00 . A A . 4 LYS CE 1 1 2 569 1 1 4 LYS CG C -16.791 4.832 8.340 1.00 . A A . 4 LYS CG 1 1 2 570 1 1 4 LYS H H -18.627 8.118 9.823 1.00 . A A . 4 LYS H 1 1 2 571 1 1 4 LYS HA H -15.972 7.393 9.115 1.00 . A A . 4 LYS HA 1 1 2 572 1 1 4 LYS HB2 H -17.527 5.781 10.095 1.00 . A A . 4 LYS HB2 1 1 2 573 1 1 4 LYS HB3 H -18.581 5.924 8.695 1.00 . A A . 4 LYS HB3 1 1 2 574 1 1 4 LYS HD2 H -18.445 3.492 8.243 1.00 . A A . 4 LYS HD2 1 1 2 575 1 1 4 LYS HD3 H -16.867 2.719 8.063 1.00 . A A . 4 LYS HD3 1 1 2 576 1 1 4 LYS HE2 H -16.409 3.178 10.436 1.00 . A A . 4 LYS HE2 1 1 2 577 1 1 4 LYS HE3 H -18.020 3.871 10.597 1.00 . A A . 4 LYS HE3 1 1 2 578 1 1 4 LYS HG2 H -16.784 5.013 7.281 1.00 . A A . 4 LYS HG2 1 1 2 579 1 1 4 LYS HG3 H -15.777 4.818 8.712 1.00 . A A . 4 LYS HG3 1 1 2 580 1 1 4 LYS HZ1 H -17.951 1.580 11.361 1.00 . A A . 4 LYS HZ1 1 1 2 581 1 1 4 LYS HZ2 H -17.426 1.066 9.840 1.00 . A A . 4 LYS HZ2 1 1 2 582 1 1 4 LYS HZ3 H -18.965 1.733 10.017 1.00 . A A . 4 LYS HZ3 1 1 2 583 1 1 4 LYS N N -17.764 8.366 9.428 1.00 . A A . 4 LYS N 1 1 2 584 1 1 4 LYS NZ N -17.979 1.787 10.342 1.00 . A A . 4 LYS NZ 1 1 2 585 1 1 4 LYS O O -17.975 7.439 6.557 1.00 . A A . 4 LYS O 1 1 2 586 1 1 5 HIS C C -15.258 6.817 4.664 1.00 . A A . 5 HIS C 1 1 2 587 1 1 5 HIS CA C -15.601 8.147 5.320 1.00 . A A . 5 HIS CA 1 1 2 588 1 1 5 HIS CB C -14.480 9.164 5.072 1.00 . A A . 5 HIS CB 1 1 2 589 1 1 5 HIS CD2 C -13.394 8.717 2.752 1.00 . A A . 5 HIS CD2 1 1 2 590 1 1 5 HIS CE1 C -14.238 10.417 1.668 1.00 . A A . 5 HIS CE1 1 1 2 591 1 1 5 HIS CG C -14.175 9.404 3.620 1.00 . A A . 5 HIS CG 1 1 2 592 1 1 5 HIS H H -15.044 8.120 7.355 1.00 . A A . 5 HIS H 1 1 2 593 1 1 5 HIS HA H -16.521 8.522 4.899 1.00 . A A . 5 HIS HA 1 1 2 594 1 1 5 HIS HB2 H -14.762 10.108 5.509 1.00 . A A . 5 HIS HB2 1 1 2 595 1 1 5 HIS HB3 H -13.579 8.811 5.550 1.00 . A A . 5 HIS HB3 1 1 2 596 1 1 5 HIS HD1 H -15.294 11.158 3.257 1.00 . A A . 5 HIS HD1 1 1 2 597 1 1 5 HIS HD2 H -12.830 7.821 2.971 1.00 . A A . 5 HIS HD2 1 1 2 598 1 1 5 HIS HE1 H -14.476 11.120 0.883 1.00 . A A . 5 HIS HE1 1 1 2 599 1 1 5 HIS HE2 H -12.856 9.197 0.783 1.00 . A A . 5 HIS HE2 1 1 2 600 1 1 5 HIS N N -15.797 7.963 6.744 1.00 . A A . 5 HIS N 1 1 2 601 1 1 5 HIS ND1 N -14.690 10.464 2.906 1.00 . A A . 5 HIS ND1 1 1 2 602 1 1 5 HIS NE2 N -13.451 9.367 1.548 1.00 . A A . 5 HIS NE2 1 1 2 603 1 1 5 HIS O O -14.260 6.187 5.010 1.00 . A A . 5 HIS O 1 1 2 604 1 1 6 GLY C C -17.030 4.271 2.932 1.00 . A A . 6 GLY C 1 1 2 605 1 1 6 GLY CA C -15.817 5.167 3.014 1.00 . A A . 6 GLY CA 1 1 2 606 1 1 6 GLY H H -16.895 6.915 3.522 1.00 . A A . 6 GLY H 1 1 2 607 1 1 6 GLY HA2 H -15.493 5.411 2.013 1.00 . A A . 6 GLY HA2 1 1 2 608 1 1 6 GLY HA3 H -15.025 4.638 3.520 1.00 . A A . 6 GLY HA3 1 1 2 609 1 1 6 GLY N N -16.087 6.394 3.729 1.00 . A A . 6 GLY N 1 1 2 610 1 1 6 GLY O O -17.312 3.713 1.876 1.00 . A A . 6 GLY O 1 1 2 611 1 1 7 LYS C C -18.603 1.853 3.771 1.00 . A A . 7 LYS C 1 1 2 612 1 1 7 LYS CA C -18.918 3.297 4.149 1.00 . A A . 7 LYS CA 1 1 2 613 1 1 7 LYS CB C -20.059 3.854 3.322 1.00 . A A . 7 LYS CB 1 1 2 614 1 1 7 LYS CD C -21.313 4.991 5.194 1.00 . A A . 7 LYS CD 1 1 2 615 1 1 7 LYS CE C -22.568 4.141 5.075 1.00 . A A . 7 LYS CE 1 1 2 616 1 1 7 LYS CG C -20.621 5.167 3.850 1.00 . A A . 7 LYS CG 1 1 2 617 1 1 7 LYS H H -17.517 4.694 4.816 1.00 . A A . 7 LYS H 1 1 2 618 1 1 7 LYS HA H -19.223 3.298 5.163 1.00 . A A . 7 LYS HA 1 1 2 619 1 1 7 LYS HB2 H -19.706 4.018 2.323 1.00 . A A . 7 LYS HB2 1 1 2 620 1 1 7 LYS HB3 H -20.843 3.133 3.305 1.00 . A A . 7 LYS HB3 1 1 2 621 1 1 7 LYS HD2 H -20.632 4.514 5.880 1.00 . A A . 7 LYS HD2 1 1 2 622 1 1 7 LYS HD3 H -21.586 5.965 5.576 1.00 . A A . 7 LYS HD3 1 1 2 623 1 1 7 LYS HE2 H -23.258 4.631 4.403 1.00 . A A . 7 LYS HE2 1 1 2 624 1 1 7 LYS HE3 H -22.301 3.177 4.673 1.00 . A A . 7 LYS HE3 1 1 2 625 1 1 7 LYS HG2 H -19.812 5.871 3.966 1.00 . A A . 7 LYS HG2 1 1 2 626 1 1 7 LYS HG3 H -21.334 5.553 3.135 1.00 . A A . 7 LYS HG3 1 1 2 627 1 1 7 LYS HZ1 H -22.615 3.407 7.027 1.00 . A A . 7 LYS HZ1 1 1 2 628 1 1 7 LYS HZ2 H -24.124 3.430 6.268 1.00 . A A . 7 LYS HZ2 1 1 2 629 1 1 7 LYS HZ3 H -23.439 4.870 6.825 1.00 . A A . 7 LYS HZ3 1 1 2 630 1 1 7 LYS N N -17.756 4.159 4.045 1.00 . A A . 7 LYS N 1 1 2 631 1 1 7 LYS NZ N -23.232 3.948 6.389 1.00 . A A . 7 LYS NZ 1 1 2 632 1 1 7 LYS O O -18.208 1.053 4.615 1.00 . A A . 7 LYS O 1 1 2 633 1 1 8 ASN C C -17.457 0.314 0.830 1.00 . A A . 8 ASN C 1 1 2 634 1 1 8 ASN CA C -18.455 0.207 1.991 1.00 . A A . 8 ASN CA 1 1 2 635 1 1 8 ASN CB C -19.726 -0.531 1.544 1.00 . A A . 8 ASN CB 1 1 2 636 1 1 8 ASN CG C -19.455 -1.944 1.052 1.00 . A A . 8 ASN CG 1 1 2 637 1 1 8 ASN H H -19.214 2.185 1.929 1.00 . A A . 8 ASN H 1 1 2 638 1 1 8 ASN HA H -17.992 -0.349 2.792 1.00 . A A . 8 ASN HA 1 1 2 639 1 1 8 ASN HB2 H -20.408 -0.588 2.377 1.00 . A A . 8 ASN HB2 1 1 2 640 1 1 8 ASN HB3 H -20.191 0.026 0.744 1.00 . A A . 8 ASN HB3 1 1 2 641 1 1 8 ASN HD21 H -19.300 -3.824 1.673 1.00 . A A . 8 ASN HD21 1 1 2 642 1 1 8 ASN HD22 H -19.629 -2.652 2.898 1.00 . A A . 8 ASN HD22 1 1 2 643 1 1 8 ASN N N -18.801 1.527 2.514 1.00 . A A . 8 ASN N 1 1 2 644 1 1 8 ASN ND2 N -19.459 -2.902 1.964 1.00 . A A . 8 ASN ND2 1 1 2 645 1 1 8 ASN O O -16.808 -0.665 0.464 1.00 . A A . 8 ASN O 1 1 2 646 1 1 8 ASN OD1 O -19.249 -2.175 -0.142 1.00 . A A . 8 ASN OD1 1 1 2 647 1 1 9 SER C C -14.985 1.737 -0.479 1.00 . A A . 9 SER C 1 1 2 648 1 1 9 SER CA C -16.449 1.719 -0.885 1.00 . A A . 9 SER CA 1 1 2 649 1 1 9 SER CB C -16.817 3.026 -1.603 1.00 . A A . 9 SER CB 1 1 2 650 1 1 9 SER H H -17.781 2.284 0.654 1.00 . A A . 9 SER H 1 1 2 651 1 1 9 SER HA H -16.603 0.895 -1.559 1.00 . A A . 9 SER HA 1 1 2 652 1 1 9 SER HB2 H -17.853 2.991 -1.899 1.00 . A A . 9 SER HB2 1 1 2 653 1 1 9 SER HB3 H -16.660 3.858 -0.932 1.00 . A A . 9 SER HB3 1 1 2 654 1 1 9 SER HG H -15.081 3.145 -2.521 1.00 . A A . 9 SER HG 1 1 2 655 1 1 9 SER N N -17.309 1.512 0.272 1.00 . A A . 9 SER N 1 1 2 656 1 1 9 SER O O -14.099 1.537 -1.316 1.00 . A A . 9 SER O 1 1 2 657 1 1 9 SER OG O -16.017 3.220 -2.762 1.00 . A A . 9 SER OG 1 1 2 658 1 1 10 TRP C C -12.631 0.694 0.979 1.00 . A A . 10 TRP C 1 1 2 659 1 1 10 TRP CA C -13.368 1.979 1.316 1.00 . A A . 10 TRP CA 1 1 2 660 1 1 10 TRP CB C -13.327 2.142 2.830 1.00 . A A . 10 TRP CB 1 1 2 661 1 1 10 TRP CD1 C -15.323 0.912 3.828 1.00 . A A . 10 TRP CD1 1 1 2 662 1 1 10 TRP CD2 C -13.368 -0.098 4.002 1.00 . A A . 10 TRP CD2 1 1 2 663 1 1 10 TRP CE2 C -14.320 -0.921 4.600 1.00 . A A . 10 TRP CE2 1 1 2 664 1 1 10 TRP CE3 C -12.055 -0.483 3.961 1.00 . A A . 10 TRP CE3 1 1 2 665 1 1 10 TRP CG C -14.010 1.044 3.535 1.00 . A A . 10 TRP CG 1 1 2 666 1 1 10 TRP CH2 C -12.649 -2.495 5.110 1.00 . A A . 10 TRP CH2 1 1 2 667 1 1 10 TRP CZ2 C -13.969 -2.140 5.164 1.00 . A A . 10 TRP CZ2 1 1 2 668 1 1 10 TRP CZ3 C -11.704 -1.666 4.508 1.00 . A A . 10 TRP CZ3 1 1 2 669 1 1 10 TRP H H -15.478 2.099 1.423 1.00 . A A . 10 TRP H 1 1 2 670 1 1 10 TRP HA H -12.856 2.811 0.858 1.00 . A A . 10 TRP HA 1 1 2 671 1 1 10 TRP HB2 H -12.295 2.131 3.150 1.00 . A A . 10 TRP HB2 1 1 2 672 1 1 10 TRP HB3 H -13.759 3.050 3.128 1.00 . A A . 10 TRP HB3 1 1 2 673 1 1 10 TRP HD1 H -16.076 1.641 3.574 1.00 . A A . 10 TRP HD1 1 1 2 674 1 1 10 TRP HE1 H -16.396 -0.617 4.812 1.00 . A A . 10 TRP HE1 1 1 2 675 1 1 10 TRP HE3 H -11.313 0.134 3.478 1.00 . A A . 10 TRP HE3 1 1 2 676 1 1 10 TRP HH2 H -12.318 -3.424 5.532 1.00 . A A . 10 TRP HH2 1 1 2 677 1 1 10 TRP HZ2 H -14.688 -2.791 5.615 1.00 . A A . 10 TRP HZ2 1 1 2 678 1 1 10 TRP HZ3 H -10.683 -1.957 4.481 1.00 . A A . 10 TRP HZ3 1 1 2 679 1 1 10 TRP N N -14.731 1.951 0.806 1.00 . A A . 10 TRP N 1 1 2 680 1 1 10 TRP NE1 N -15.529 -0.283 4.484 1.00 . A A . 10 TRP NE1 1 1 2 681 1 1 10 TRP O O -11.440 0.699 0.807 1.00 . A A . 10 TRP O 1 1 2 682 1 1 11 LYS C C -11.884 -1.724 -0.552 1.00 . A A . 11 LYS C 1 1 2 683 1 1 11 LYS CA C -12.714 -1.711 0.716 1.00 . A A . 11 LYS CA 1 1 2 684 1 1 11 LYS CB C -13.792 -2.753 0.602 1.00 . A A . 11 LYS CB 1 1 2 685 1 1 11 LYS CD C -15.837 -3.815 1.578 1.00 . A A . 11 LYS CD 1 1 2 686 1 1 11 LYS CE C -15.211 -5.183 1.454 1.00 . A A . 11 LYS CE 1 1 2 687 1 1 11 LYS CG C -14.767 -2.762 1.765 1.00 . A A . 11 LYS CG 1 1 2 688 1 1 11 LYS H H -14.315 -0.357 1.008 1.00 . A A . 11 LYS H 1 1 2 689 1 1 11 LYS HA H -12.078 -1.932 1.568 1.00 . A A . 11 LYS HA 1 1 2 690 1 1 11 LYS HB2 H -14.349 -2.583 -0.310 1.00 . A A . 11 LYS HB2 1 1 2 691 1 1 11 LYS HB3 H -13.314 -3.698 0.546 1.00 . A A . 11 LYS HB3 1 1 2 692 1 1 11 LYS HD2 H -16.499 -3.805 2.431 1.00 . A A . 11 LYS HD2 1 1 2 693 1 1 11 LYS HD3 H -16.395 -3.598 0.680 1.00 . A A . 11 LYS HD3 1 1 2 694 1 1 11 LYS HE2 H -14.577 -5.188 0.576 1.00 . A A . 11 LYS HE2 1 1 2 695 1 1 11 LYS HE3 H -14.611 -5.361 2.334 1.00 . A A . 11 LYS HE3 1 1 2 696 1 1 11 LYS HG2 H -14.225 -2.969 2.675 1.00 . A A . 11 LYS HG2 1 1 2 697 1 1 11 LYS HG3 H -15.237 -1.791 1.837 1.00 . A A . 11 LYS HG3 1 1 2 698 1 1 11 LYS HZ1 H -16.854 -6.263 2.148 1.00 . A A . 11 LYS HZ1 1 1 2 699 1 1 11 LYS HZ2 H -15.752 -7.188 1.264 1.00 . A A . 11 LYS HZ2 1 1 2 700 1 1 11 LYS HZ3 H -16.792 -6.123 0.463 1.00 . A A . 11 LYS HZ3 1 1 2 701 1 1 11 LYS N N -13.341 -0.410 0.916 1.00 . A A . 11 LYS N 1 1 2 702 1 1 11 LYS NZ N -16.224 -6.263 1.324 1.00 . A A . 11 LYS NZ 1 1 2 703 1 1 11 LYS O O -10.791 -2.287 -0.617 1.00 . A A . 11 LYS O 1 1 2 704 1 1 12 THR C C -10.630 0.036 -2.749 1.00 . A A . 12 THR C 1 1 2 705 1 1 12 THR CA C -11.823 -0.927 -2.833 1.00 . A A . 12 THR CA 1 1 2 706 1 1 12 THR CB C -12.932 -0.420 -3.756 1.00 . A A . 12 THR CB 1 1 2 707 1 1 12 THR CG2 C -12.475 0.668 -4.715 1.00 . A A . 12 THR CG2 1 1 2 708 1 1 12 THR H H -13.311 -0.667 -1.391 1.00 . A A . 12 THR H 1 1 2 709 1 1 12 THR HA H -11.491 -1.894 -3.179 1.00 . A A . 12 THR HA 1 1 2 710 1 1 12 THR HB H -13.692 -0.014 -3.097 1.00 . A A . 12 THR HB 1 1 2 711 1 1 12 THR HG1 H -14.266 -1.855 -3.974 1.00 . A A . 12 THR HG1 1 1 2 712 1 1 12 THR HG21 H -13.317 1.000 -5.301 1.00 . A A . 12 THR HG21 1 1 2 713 1 1 12 THR HG22 H -11.710 0.276 -5.369 1.00 . A A . 12 THR HG22 1 1 2 714 1 1 12 THR HG23 H -12.079 1.500 -4.152 1.00 . A A . 12 THR HG23 1 1 2 715 1 1 12 THR N N -12.434 -1.080 -1.540 1.00 . A A . 12 THR N 1 1 2 716 1 1 12 THR O O -9.638 -0.095 -3.470 1.00 . A A . 12 THR O 1 1 2 717 1 1 12 THR OG1 O -13.514 -1.517 -4.474 1.00 . A A . 12 THR OG1 1 1 2 718 1 1 13 LEU C C -8.608 1.136 -0.663 1.00 . A A . 13 LEU C 1 1 2 719 1 1 13 LEU CA C -9.654 1.886 -1.472 1.00 . A A . 13 LEU CA 1 1 2 720 1 1 13 LEU CB C -10.231 3.032 -0.624 1.00 . A A . 13 LEU CB 1 1 2 721 1 1 13 LEU CD1 C -9.044 4.836 0.663 1.00 . A A . 13 LEU CD1 1 1 2 722 1 1 13 LEU CD2 C -10.268 3.043 1.918 1.00 . A A . 13 LEU CD2 1 1 2 723 1 1 13 LEU CG C -9.452 3.373 0.660 1.00 . A A . 13 LEU CG 1 1 2 724 1 1 13 LEU H H -11.599 1.076 -1.360 1.00 . A A . 13 LEU H 1 1 2 725 1 1 13 LEU HA H -9.209 2.280 -2.376 1.00 . A A . 13 LEU HA 1 1 2 726 1 1 13 LEU HB2 H -10.281 3.916 -1.236 1.00 . A A . 13 LEU HB2 1 1 2 727 1 1 13 LEU HB3 H -11.237 2.752 -0.339 1.00 . A A . 13 LEU HB3 1 1 2 728 1 1 13 LEU HD11 H -8.511 5.060 1.576 1.00 . A A . 13 LEU HD11 1 1 2 729 1 1 13 LEU HD12 H -9.926 5.456 0.598 1.00 . A A . 13 LEU HD12 1 1 2 730 1 1 13 LEU HD13 H -8.402 5.033 -0.185 1.00 . A A . 13 LEU HD13 1 1 2 731 1 1 13 LEU HD21 H -9.700 3.300 2.798 1.00 . A A . 13 LEU HD21 1 1 2 732 1 1 13 LEU HD22 H -10.499 1.977 1.943 1.00 . A A . 13 LEU HD22 1 1 2 733 1 1 13 LEU HD23 H -11.193 3.601 1.910 1.00 . A A . 13 LEU HD23 1 1 2 734 1 1 13 LEU HG H -8.555 2.778 0.685 1.00 . A A . 13 LEU HG 1 1 2 735 1 1 13 LEU N N -10.744 0.983 -1.831 1.00 . A A . 13 LEU N 1 1 2 736 1 1 13 LEU O O -7.417 1.425 -0.712 1.00 . A A . 13 LEU O 1 1 2 737 1 1 14 TYR C C -7.355 -1.509 0.485 1.00 . A A . 14 TYR C 1 1 2 738 1 1 14 TYR CA C -8.342 -0.529 1.083 1.00 . A A . 14 TYR CA 1 1 2 739 1 1 14 TYR CB C -9.323 -1.262 1.979 1.00 . A A . 14 TYR CB 1 1 2 740 1 1 14 TYR CD1 C -8.480 -1.056 4.316 1.00 . A A . 14 TYR CD1 1 1 2 741 1 1 14 TYR CD2 C -8.296 -3.164 3.221 1.00 . A A . 14 TYR CD2 1 1 2 742 1 1 14 TYR CE1 C -7.878 -1.580 5.438 1.00 . A A . 14 TYR CE1 1 1 2 743 1 1 14 TYR CE2 C -7.700 -3.702 4.335 1.00 . A A . 14 TYR CE2 1 1 2 744 1 1 14 TYR CG C -8.693 -1.841 3.198 1.00 . A A . 14 TYR CG 1 1 2 745 1 1 14 TYR CZ C -7.490 -2.907 5.447 1.00 . A A . 14 TYR CZ 1 1 2 746 1 1 14 TYR H H -10.024 -0.112 -0.090 1.00 . A A . 14 TYR H 1 1 2 747 1 1 14 TYR HA H -7.812 0.206 1.666 1.00 . A A . 14 TYR HA 1 1 2 748 1 1 14 TYR HB2 H -10.092 -0.579 2.293 1.00 . A A . 14 TYR HB2 1 1 2 749 1 1 14 TYR HB3 H -9.774 -2.071 1.422 1.00 . A A . 14 TYR HB3 1 1 2 750 1 1 14 TYR HD1 H -8.806 -0.020 4.301 1.00 . A A . 14 TYR HD1 1 1 2 751 1 1 14 TYR HD2 H -8.466 -3.781 2.346 1.00 . A A . 14 TYR HD2 1 1 2 752 1 1 14 TYR HE1 H -7.713 -0.952 6.297 1.00 . A A . 14 TYR HE1 1 1 2 753 1 1 14 TYR HE2 H -7.400 -4.734 4.332 1.00 . A A . 14 TYR HE2 1 1 2 754 1 1 14 TYR HH H -6.167 -4.014 6.298 1.00 . A A . 14 TYR HH 1 1 2 755 1 1 14 TYR N N -9.093 0.156 0.060 1.00 . A A . 14 TYR N 1 1 2 756 1 1 14 TYR O O -6.238 -1.664 0.970 1.00 . A A . 14 TYR O 1 1 2 757 1 1 14 TYR OH O -6.894 -3.439 6.565 1.00 . A A . 14 TYR OH 1 1 2 758 1 1 15 LEU C C -5.920 -2.351 -2.055 1.00 . A A . 15 LEU C 1 1 2 759 1 1 15 LEU CA C -6.973 -3.097 -1.250 1.00 . A A . 15 LEU CA 1 1 2 760 1 1 15 LEU CB C -7.893 -3.908 -2.128 1.00 . A A . 15 LEU CB 1 1 2 761 1 1 15 LEU CD1 C -7.701 -6.176 -1.185 1.00 . A A . 15 LEU CD1 1 1 2 762 1 1 15 LEU CD2 C -7.843 -5.841 -3.684 1.00 . A A . 15 LEU CD2 1 1 2 763 1 1 15 LEU CG C -7.364 -5.268 -2.362 1.00 . A A . 15 LEU CG 1 1 2 764 1 1 15 LEU H H -8.675 -2.068 -0.873 1.00 . A A . 15 LEU H 1 1 2 765 1 1 15 LEU HA H -6.493 -3.744 -0.531 1.00 . A A . 15 LEU HA 1 1 2 766 1 1 15 LEU HB2 H -8.854 -3.983 -1.636 1.00 . A A . 15 LEU HB2 1 1 2 767 1 1 15 LEU HB3 H -8.012 -3.408 -3.076 1.00 . A A . 15 LEU HB3 1 1 2 768 1 1 15 LEU HD11 H -7.170 -7.109 -1.286 1.00 . A A . 15 LEU HD11 1 1 2 769 1 1 15 LEU HD12 H -8.764 -6.367 -1.174 1.00 . A A . 15 LEU HD12 1 1 2 770 1 1 15 LEU HD13 H -7.415 -5.691 -0.258 1.00 . A A . 15 LEU HD13 1 1 2 771 1 1 15 LEU HD21 H -8.923 -5.892 -3.686 1.00 . A A . 15 LEU HD21 1 1 2 772 1 1 15 LEU HD22 H -7.437 -6.833 -3.815 1.00 . A A . 15 LEU HD22 1 1 2 773 1 1 15 LEU HD23 H -7.512 -5.207 -4.494 1.00 . A A . 15 LEU HD23 1 1 2 774 1 1 15 LEU HG H -6.314 -5.147 -2.394 1.00 . A A . 15 LEU HG 1 1 2 775 1 1 15 LEU N N -7.779 -2.176 -0.559 1.00 . A A . 15 LEU N 1 1 2 776 1 1 15 LEU O O -4.872 -2.888 -2.406 1.00 . A A . 15 LEU O 1 1 2 777 1 1 16 LYS C C -4.318 0.271 -1.785 1.00 . A A . 16 LYS C 1 1 2 778 1 1 16 LYS CA C -5.284 -0.160 -2.888 1.00 . A A . 16 LYS CA 1 1 2 779 1 1 16 LYS CB C -6.065 1.032 -3.477 1.00 . A A . 16 LYS CB 1 1 2 780 1 1 16 LYS CD C -5.025 3.127 -2.592 1.00 . A A . 16 LYS CD 1 1 2 781 1 1 16 LYS CE C -4.262 4.400 -2.921 1.00 . A A . 16 LYS CE 1 1 2 782 1 1 16 LYS CG C -5.231 2.254 -3.818 1.00 . A A . 16 LYS CG 1 1 2 783 1 1 16 LYS H H -7.134 -0.783 -2.134 1.00 . A A . 16 LYS H 1 1 2 784 1 1 16 LYS HA H -4.735 -0.658 -3.675 1.00 . A A . 16 LYS HA 1 1 2 785 1 1 16 LYS HB2 H -6.567 0.710 -4.374 1.00 . A A . 16 LYS HB2 1 1 2 786 1 1 16 LYS HB3 H -6.813 1.332 -2.758 1.00 . A A . 16 LYS HB3 1 1 2 787 1 1 16 LYS HD2 H -5.992 3.387 -2.188 1.00 . A A . 16 LYS HD2 1 1 2 788 1 1 16 LYS HD3 H -4.471 2.560 -1.857 1.00 . A A . 16 LYS HD3 1 1 2 789 1 1 16 LYS HE2 H -4.117 4.962 -2.009 1.00 . A A . 16 LYS HE2 1 1 2 790 1 1 16 LYS HE3 H -3.302 4.132 -3.333 1.00 . A A . 16 LYS HE3 1 1 2 791 1 1 16 LYS HG2 H -4.270 1.933 -4.189 1.00 . A A . 16 LYS HG2 1 1 2 792 1 1 16 LYS HG3 H -5.739 2.828 -4.577 1.00 . A A . 16 LYS HG3 1 1 2 793 1 1 16 LYS HZ1 H -5.120 4.734 -4.793 1.00 . A A . 16 LYS HZ1 1 1 2 794 1 1 16 LYS HZ2 H -4.459 6.119 -4.087 1.00 . A A . 16 LYS HZ2 1 1 2 795 1 1 16 LYS HZ3 H -5.928 5.503 -3.523 1.00 . A A . 16 LYS HZ3 1 1 2 796 1 1 16 LYS N N -6.230 -1.095 -2.327 1.00 . A A . 16 LYS N 1 1 2 797 1 1 16 LYS NZ N -4.992 5.247 -3.900 1.00 . A A . 16 LYS NZ 1 1 2 798 1 1 16 LYS O O -3.118 0.423 -2.008 1.00 . A A . 16 LYS O 1 1 2 799 1 1 17 ILE C C -3.099 -0.325 0.931 1.00 . A A . 17 ILE C 1 1 2 800 1 1 17 ILE CA C -4.099 0.778 0.598 1.00 . A A . 17 ILE CA 1 1 2 801 1 1 17 ILE CB C -5.054 1.032 1.792 1.00 . A A . 17 ILE CB 1 1 2 802 1 1 17 ILE CD1 C -6.516 2.809 2.895 1.00 . A A . 17 ILE CD1 1 1 2 803 1 1 17 ILE CG1 C -5.550 2.482 1.775 1.00 . A A . 17 ILE CG1 1 1 2 804 1 1 17 ILE CG2 C -4.399 0.695 3.124 1.00 . A A . 17 ILE CG2 1 1 2 805 1 1 17 ILE H H -5.833 0.326 -0.486 1.00 . A A . 17 ILE H 1 1 2 806 1 1 17 ILE HA H -3.569 1.687 0.390 1.00 . A A . 17 ILE HA 1 1 2 807 1 1 17 ILE HB H -5.902 0.379 1.674 1.00 . A A . 17 ILE HB 1 1 2 808 1 1 17 ILE HD11 H -6.819 3.842 2.817 1.00 . A A . 17 ILE HD11 1 1 2 809 1 1 17 ILE HD12 H -6.034 2.645 3.847 1.00 . A A . 17 ILE HD12 1 1 2 810 1 1 17 ILE HD13 H -7.387 2.172 2.817 1.00 . A A . 17 ILE HD13 1 1 2 811 1 1 17 ILE HG12 H -4.702 3.144 1.869 1.00 . A A . 17 ILE HG12 1 1 2 812 1 1 17 ILE HG13 H -6.049 2.673 0.837 1.00 . A A . 17 ILE HG13 1 1 2 813 1 1 17 ILE HG21 H -4.044 -0.324 3.095 1.00 . A A . 17 ILE HG21 1 1 2 814 1 1 17 ILE HG22 H -5.127 0.799 3.918 1.00 . A A . 17 ILE HG22 1 1 2 815 1 1 17 ILE HG23 H -3.572 1.363 3.299 1.00 . A A . 17 ILE HG23 1 1 2 816 1 1 17 ILE N N -4.866 0.435 -0.584 1.00 . A A . 17 ILE N 1 1 2 817 1 1 17 ILE O O -1.952 -0.057 1.291 1.00 . A A . 17 ILE O 1 1 2 818 1 1 18 SER C C -1.624 -2.822 -0.057 1.00 . A A . 18 SER C 1 1 2 819 1 1 18 SER CA C -2.684 -2.714 1.035 1.00 . A A . 18 SER CA 1 1 2 820 1 1 18 SER CB C -3.524 -3.992 1.074 1.00 . A A . 18 SER CB 1 1 2 821 1 1 18 SER H H -4.479 -1.715 0.540 1.00 . A A . 18 SER H 1 1 2 822 1 1 18 SER HA H -2.199 -2.578 1.990 1.00 . A A . 18 SER HA 1 1 2 823 1 1 18 SER HB2 H -4.431 -3.810 1.630 1.00 . A A . 18 SER HB2 1 1 2 824 1 1 18 SER HB3 H -3.772 -4.282 0.061 1.00 . A A . 18 SER HB3 1 1 2 825 1 1 18 SER HG H -2.801 -4.912 2.645 1.00 . A A . 18 SER HG 1 1 2 826 1 1 18 SER N N -3.539 -1.566 0.794 1.00 . A A . 18 SER N 1 1 2 827 1 1 18 SER O O -0.588 -3.466 0.122 1.00 . A A . 18 SER O 1 1 2 828 1 1 18 SER OG O -2.815 -5.053 1.688 1.00 . A A . 18 SER OG 1 1 2 829 1 1 19 PHE C C 0.070 -1.144 -2.237 1.00 . A A . 19 PHE C 1 1 2 830 1 1 19 PHE CA C -0.988 -2.239 -2.320 1.00 . A A . 19 PHE CA 1 1 2 831 1 1 19 PHE CB C -1.776 -2.110 -3.621 1.00 . A A . 19 PHE CB 1 1 2 832 1 1 19 PHE CD1 C -0.792 -3.761 -5.214 1.00 . A A . 19 PHE CD1 1 1 2 833 1 1 19 PHE CD2 C -0.373 -1.446 -5.593 1.00 . A A . 19 PHE CD2 1 1 2 834 1 1 19 PHE CE1 C -0.043 -4.083 -6.330 1.00 . A A . 19 PHE CE1 1 1 2 835 1 1 19 PHE CE2 C 0.377 -1.760 -6.708 1.00 . A A . 19 PHE CE2 1 1 2 836 1 1 19 PHE CG C -0.965 -2.443 -4.837 1.00 . A A . 19 PHE CG 1 1 2 837 1 1 19 PHE CZ C 0.543 -3.081 -7.077 1.00 . A A . 19 PHE CZ 1 1 2 838 1 1 19 PHE H H -2.705 -1.644 -1.251 1.00 . A A . 19 PHE H 1 1 2 839 1 1 19 PHE HA H -0.496 -3.199 -2.302 1.00 . A A . 19 PHE HA 1 1 2 840 1 1 19 PHE HB2 H -2.623 -2.779 -3.590 1.00 . A A . 19 PHE HB2 1 1 2 841 1 1 19 PHE HB3 H -2.130 -1.093 -3.721 1.00 . A A . 19 PHE HB3 1 1 2 842 1 1 19 PHE HD1 H -1.254 -4.542 -4.627 1.00 . A A . 19 PHE HD1 1 1 2 843 1 1 19 PHE HD2 H -0.499 -0.413 -5.301 1.00 . A A . 19 PHE HD2 1 1 2 844 1 1 19 PHE HE1 H 0.086 -5.117 -6.616 1.00 . A A . 19 PHE HE1 1 1 2 845 1 1 19 PHE HE2 H 0.833 -0.974 -7.292 1.00 . A A . 19 PHE HE2 1 1 2 846 1 1 19 PHE HZ H 1.130 -3.330 -7.949 1.00 . A A . 19 PHE HZ 1 1 2 847 1 1 19 PHE N N -1.884 -2.175 -1.183 1.00 . A A . 19 PHE N 1 1 2 848 1 1 19 PHE O O 1.264 -1.431 -2.169 1.00 . A A . 19 PHE O 1 1 2 849 1 1 20 LEU C C 1.224 1.346 -0.823 1.00 . A A . 20 LEU C 1 1 2 850 1 1 20 LEU CA C 0.563 1.229 -2.186 1.00 . A A . 20 LEU CA 1 1 2 851 1 1 20 LEU CB C -0.116 2.546 -2.564 1.00 . A A . 20 LEU CB 1 1 2 852 1 1 20 LEU CD1 C -1.454 1.879 -4.565 1.00 . A A . 20 LEU CD1 1 1 2 853 1 1 20 LEU CD2 C -0.614 4.224 -4.364 1.00 . A A . 20 LEU CD2 1 1 2 854 1 1 20 LEU CG C -0.331 2.760 -4.062 1.00 . A A . 20 LEU CG 1 1 2 855 1 1 20 LEU H H -1.336 0.286 -2.238 1.00 . A A . 20 LEU H 1 1 2 856 1 1 20 LEU HA H 1.336 1.024 -2.913 1.00 . A A . 20 LEU HA 1 1 2 857 1 1 20 LEU HB2 H -1.079 2.576 -2.079 1.00 . A A . 20 LEU HB2 1 1 2 858 1 1 20 LEU HB3 H 0.486 3.358 -2.188 1.00 . A A . 20 LEU HB3 1 1 2 859 1 1 20 LEU HD11 H -2.392 2.245 -4.185 1.00 . A A . 20 LEU HD11 1 1 2 860 1 1 20 LEU HD12 H -1.295 0.870 -4.215 1.00 . A A . 20 LEU HD12 1 1 2 861 1 1 20 LEU HD13 H -1.469 1.892 -5.643 1.00 . A A . 20 LEU HD13 1 1 2 862 1 1 20 LEU HD21 H -0.845 4.337 -5.412 1.00 . A A . 20 LEU HD21 1 1 2 863 1 1 20 LEU HD22 H 0.258 4.815 -4.123 1.00 . A A . 20 LEU HD22 1 1 2 864 1 1 20 LEU HD23 H -1.450 4.561 -3.772 1.00 . A A . 20 LEU HD23 1 1 2 865 1 1 20 LEU HG H 0.569 2.478 -4.586 1.00 . A A . 20 LEU HG 1 1 2 866 1 1 20 LEU N N -0.367 0.110 -2.222 1.00 . A A . 20 LEU N 1 1 2 867 1 1 20 LEU O O 2.328 1.862 -0.713 1.00 . A A . 20 LEU O 1 1 2 868 1 1 21 GLY C C 2.375 -0.180 1.471 1.00 . A A . 21 GLY C 1 1 2 869 1 1 21 GLY CA C 1.194 0.767 1.512 1.00 . A A . 21 GLY CA 1 1 2 870 1 1 21 GLY H H -0.374 0.565 0.100 1.00 . A A . 21 GLY H 1 1 2 871 1 1 21 GLY HA2 H 1.533 1.749 1.809 1.00 . A A . 21 GLY HA2 1 1 2 872 1 1 21 GLY HA3 H 0.477 0.406 2.235 1.00 . A A . 21 GLY HA3 1 1 2 873 1 1 21 GLY N N 0.557 0.855 0.211 1.00 . A A . 21 GLY N 1 1 2 874 1 1 21 GLY O O 3.377 0.015 2.156 1.00 . A A . 21 GLY O 1 1 2 875 1 1 22 CYS C C 4.357 -1.607 -0.548 1.00 . A A . 22 CYS C 1 1 2 876 1 1 22 CYS CA C 3.315 -2.169 0.422 1.00 . A A . 22 CYS CA 1 1 2 877 1 1 22 CYS CB C 2.728 -3.477 -0.120 1.00 . A A . 22 CYS CB 1 1 2 878 1 1 22 CYS H H 1.417 -1.308 0.143 1.00 . A A . 22 CYS H 1 1 2 879 1 1 22 CYS HA H 3.789 -2.359 1.372 1.00 . A A . 22 CYS HA 1 1 2 880 1 1 22 CYS HB2 H 1.953 -3.816 0.549 1.00 . A A . 22 CYS HB2 1 1 2 881 1 1 22 CYS HB3 H 2.296 -3.291 -1.093 1.00 . A A . 22 CYS HB3 1 1 2 882 1 1 22 CYS HG H 4.418 -5.092 0.904 1.00 . A A . 22 CYS HG 1 1 2 883 1 1 22 CYS N N 2.253 -1.201 0.633 1.00 . A A . 22 CYS N 1 1 2 884 1 1 22 CYS O O 5.457 -2.135 -0.661 1.00 . A A . 22 CYS O 1 1 2 885 1 1 22 CYS SG S 3.920 -4.824 -0.296 1.00 . A A . 22 CYS SG 1 1 2 886 1 1 23 LYS C C 5.682 1.228 -1.361 1.00 . A A . 23 LYS C 1 1 2 887 1 1 23 LYS CA C 4.962 0.134 -2.127 1.00 . A A . 23 LYS CA 1 1 2 888 1 1 23 LYS CB C 4.274 0.720 -3.360 1.00 . A A . 23 LYS CB 1 1 2 889 1 1 23 LYS CD C 3.007 0.283 -5.495 1.00 . A A . 23 LYS CD 1 1 2 890 1 1 23 LYS CE C 4.102 0.712 -6.460 1.00 . A A . 23 LYS CE 1 1 2 891 1 1 23 LYS CG C 3.578 -0.323 -4.220 1.00 . A A . 23 LYS CG 1 1 2 892 1 1 23 LYS H H 3.073 -0.219 -1.220 1.00 . A A . 23 LYS H 1 1 2 893 1 1 23 LYS HA H 5.690 -0.591 -2.436 1.00 . A A . 23 LYS HA 1 1 2 894 1 1 23 LYS HB2 H 3.538 1.440 -3.040 1.00 . A A . 23 LYS HB2 1 1 2 895 1 1 23 LYS HB3 H 5.014 1.219 -3.966 1.00 . A A . 23 LYS HB3 1 1 2 896 1 1 23 LYS HD2 H 2.385 -0.454 -5.981 1.00 . A A . 23 LYS HD2 1 1 2 897 1 1 23 LYS HD3 H 2.409 1.144 -5.235 1.00 . A A . 23 LYS HD3 1 1 2 898 1 1 23 LYS HE2 H 3.645 1.204 -7.304 1.00 . A A . 23 LYS HE2 1 1 2 899 1 1 23 LYS HE3 H 4.760 1.406 -5.954 1.00 . A A . 23 LYS HE3 1 1 2 900 1 1 23 LYS HG2 H 4.293 -1.086 -4.484 1.00 . A A . 23 LYS HG2 1 1 2 901 1 1 23 LYS HG3 H 2.773 -0.764 -3.649 1.00 . A A . 23 LYS HG3 1 1 2 902 1 1 23 LYS HZ1 H 5.693 -0.111 -7.537 1.00 . A A . 23 LYS HZ1 1 1 2 903 1 1 23 LYS HZ2 H 4.304 -1.075 -7.521 1.00 . A A . 23 LYS HZ2 1 1 2 904 1 1 23 LYS HZ3 H 5.284 -0.985 -6.147 1.00 . A A . 23 LYS HZ3 1 1 2 905 1 1 23 LYS N N 4.001 -0.544 -1.261 1.00 . A A . 23 LYS N 1 1 2 906 1 1 23 LYS NZ N 4.901 -0.444 -6.949 1.00 . A A . 23 LYS NZ 1 1 2 907 1 1 23 LYS O O 6.863 1.495 -1.584 1.00 . A A . 23 LYS O 1 1 2 908 1 1 24 VAL C C 6.125 2.212 1.675 1.00 . A A . 24 VAL C 1 1 2 909 1 1 24 VAL CA C 5.547 2.860 0.406 1.00 . A A . 24 VAL CA 1 1 2 910 1 1 24 VAL CB C 4.505 3.963 0.708 1.00 . A A . 24 VAL CB 1 1 2 911 1 1 24 VAL CG1 C 5.037 5.029 1.643 1.00 . A A . 24 VAL CG1 1 1 2 912 1 1 24 VAL CG2 C 4.059 4.596 -0.599 1.00 . A A . 24 VAL CG2 1 1 2 913 1 1 24 VAL H H 4.018 1.623 -0.338 1.00 . A A . 24 VAL H 1 1 2 914 1 1 24 VAL HA H 6.361 3.313 -0.147 1.00 . A A . 24 VAL HA 1 1 2 915 1 1 24 VAL HB H 3.656 3.510 1.164 1.00 . A A . 24 VAL HB 1 1 2 916 1 1 24 VAL HG11 H 5.504 4.553 2.490 1.00 . A A . 24 VAL HG11 1 1 2 917 1 1 24 VAL HG12 H 4.225 5.652 1.978 1.00 . A A . 24 VAL HG12 1 1 2 918 1 1 24 VAL HG13 H 5.763 5.630 1.122 1.00 . A A . 24 VAL HG13 1 1 2 919 1 1 24 VAL HG21 H 3.372 5.402 -0.395 1.00 . A A . 24 VAL HG21 1 1 2 920 1 1 24 VAL HG22 H 3.575 3.852 -1.211 1.00 . A A . 24 VAL HG22 1 1 2 921 1 1 24 VAL HG23 H 4.927 4.983 -1.120 1.00 . A A . 24 VAL HG23 1 1 2 922 1 1 24 VAL N N 4.971 1.844 -0.441 1.00 . A A . 24 VAL N 1 1 2 923 1 1 24 VAL O O 6.430 2.861 2.673 1.00 . A A . 24 VAL O 1 1 2 924 1 1 25 VAL C C 8.513 0.089 1.906 1.00 . A A . 25 VAL C 1 1 2 925 1 1 25 VAL CA C 7.138 0.213 2.558 1.00 . A A . 25 VAL CA 1 1 2 926 1 1 25 VAL CB C 6.599 -1.186 2.922 1.00 . A A . 25 VAL CB 1 1 2 927 1 1 25 VAL CG1 C 7.043 -2.231 1.911 1.00 . A A . 25 VAL CG1 1 1 2 928 1 1 25 VAL CG2 C 7.020 -1.573 4.328 1.00 . A A . 25 VAL CG2 1 1 2 929 1 1 25 VAL H H 5.754 0.387 0.972 1.00 . A A . 25 VAL H 1 1 2 930 1 1 25 VAL HA H 7.218 0.808 3.457 1.00 . A A . 25 VAL HA 1 1 2 931 1 1 25 VAL HB H 5.521 -1.138 2.898 1.00 . A A . 25 VAL HB 1 1 2 932 1 1 25 VAL HG11 H 6.704 -3.206 2.224 1.00 . A A . 25 VAL HG11 1 1 2 933 1 1 25 VAL HG12 H 8.124 -2.225 1.842 1.00 . A A . 25 VAL HG12 1 1 2 934 1 1 25 VAL HG13 H 6.623 -1.994 0.942 1.00 . A A . 25 VAL HG13 1 1 2 935 1 1 25 VAL HG21 H 6.625 -0.855 5.031 1.00 . A A . 25 VAL HG21 1 1 2 936 1 1 25 VAL HG22 H 8.095 -1.587 4.390 1.00 . A A . 25 VAL HG22 1 1 2 937 1 1 25 VAL HG23 H 6.629 -2.553 4.560 1.00 . A A . 25 VAL HG23 1 1 2 938 1 1 25 VAL N N 6.264 0.902 1.629 1.00 . A A . 25 VAL N 1 1 2 939 1 1 25 VAL O O 9.547 0.026 2.570 1.00 . A A . 25 VAL O 1 1 2 940 1 1 26 VAL C C 10.559 1.089 -0.249 1.00 . A A . 26 VAL C 1 1 2 941 1 1 26 VAL CA C 9.668 -0.123 -0.244 1.00 . A A . 26 VAL CA 1 1 2 942 1 1 26 VAL CB C 9.263 -0.420 -1.695 1.00 . A A . 26 VAL CB 1 1 2 943 1 1 26 VAL CG1 C 10.487 -0.638 -2.572 1.00 . A A . 26 VAL CG1 1 1 2 944 1 1 26 VAL CG2 C 8.337 -1.621 -1.767 1.00 . A A . 26 VAL CG2 1 1 2 945 1 1 26 VAL H H 7.636 0.253 0.124 1.00 . A A . 26 VAL H 1 1 2 946 1 1 26 VAL HA H 10.206 -0.959 0.147 1.00 . A A . 26 VAL HA 1 1 2 947 1 1 26 VAL HB H 8.727 0.446 -2.064 1.00 . A A . 26 VAL HB 1 1 2 948 1 1 26 VAL HG11 H 11.123 0.232 -2.522 1.00 . A A . 26 VAL HG11 1 1 2 949 1 1 26 VAL HG12 H 10.175 -0.800 -3.592 1.00 . A A . 26 VAL HG12 1 1 2 950 1 1 26 VAL HG13 H 11.031 -1.503 -2.221 1.00 . A A . 26 VAL HG13 1 1 2 951 1 1 26 VAL HG21 H 8.837 -2.486 -1.363 1.00 . A A . 26 VAL HG21 1 1 2 952 1 1 26 VAL HG22 H 8.068 -1.808 -2.797 1.00 . A A . 26 VAL HG22 1 1 2 953 1 1 26 VAL HG23 H 7.444 -1.421 -1.192 1.00 . A A . 26 VAL HG23 1 1 2 954 1 1 26 VAL N N 8.490 0.095 0.574 1.00 . A A . 26 VAL N 1 1 2 955 1 1 26 VAL O O 11.764 0.997 -0.038 1.00 . A A . 26 VAL O 1 1 2 956 1 1 27 LEU C C 11.350 3.828 0.746 1.00 . A A . 27 LEU C 1 1 2 957 1 1 27 LEU CA C 10.671 3.482 -0.589 1.00 . A A . 27 LEU CA 1 1 2 958 1 1 27 LEU CB C 9.759 4.609 -1.125 1.00 . A A . 27 LEU CB 1 1 2 959 1 1 27 LEU CD1 C 7.484 5.611 -0.981 1.00 . A A . 27 LEU CD1 1 1 2 960 1 1 27 LEU CD2 C 8.341 4.329 0.951 1.00 . A A . 27 LEU CD2 1 1 2 961 1 1 27 LEU CG C 8.721 5.241 -0.188 1.00 . A A . 27 LEU CG 1 1 2 962 1 1 27 LEU H H 8.987 2.209 -0.676 1.00 . A A . 27 LEU H 1 1 2 963 1 1 27 LEU HA H 11.446 3.320 -1.312 1.00 . A A . 27 LEU HA 1 1 2 964 1 1 27 LEU HB2 H 10.395 5.400 -1.483 1.00 . A A . 27 LEU HB2 1 1 2 965 1 1 27 LEU HB3 H 9.220 4.206 -1.972 1.00 . A A . 27 LEU HB3 1 1 2 966 1 1 27 LEU HD11 H 7.761 6.255 -1.800 1.00 . A A . 27 LEU HD11 1 1 2 967 1 1 27 LEU HD12 H 6.783 6.119 -0.338 1.00 . A A . 27 LEU HD12 1 1 2 968 1 1 27 LEU HD13 H 7.027 4.709 -1.367 1.00 . A A . 27 LEU HD13 1 1 2 969 1 1 27 LEU HD21 H 8.149 3.333 0.566 1.00 . A A . 27 LEU HD21 1 1 2 970 1 1 27 LEU HD22 H 7.449 4.703 1.433 1.00 . A A . 27 LEU HD22 1 1 2 971 1 1 27 LEU HD23 H 9.148 4.288 1.664 1.00 . A A . 27 LEU HD23 1 1 2 972 1 1 27 LEU HG H 9.133 6.149 0.231 1.00 . A A . 27 LEU HG 1 1 2 973 1 1 27 LEU N N 9.949 2.225 -0.505 1.00 . A A . 27 LEU N 1 1 2 974 1 1 27 LEU O O 12.229 4.682 0.803 1.00 . A A . 27 LEU O 1 1 2 975 1 1 28 LEU C C 12.859 2.448 3.103 1.00 . A A . 28 LEU C 1 1 2 976 1 1 28 LEU CA C 11.573 3.264 3.113 1.00 . A A . 28 LEU CA 1 1 2 977 1 1 28 LEU CB C 10.659 2.748 4.229 1.00 . A A . 28 LEU CB 1 1 2 978 1 1 28 LEU CD1 C 8.481 2.809 5.455 1.00 . A A . 28 LEU CD1 1 1 2 979 1 1 28 LEU CD2 C 9.484 4.933 4.602 1.00 . A A . 28 LEU CD2 1 1 2 980 1 1 28 LEU CG C 9.306 3.444 4.347 1.00 . A A . 28 LEU CG 1 1 2 981 1 1 28 LEU H H 10.118 2.590 1.733 1.00 . A A . 28 LEU H 1 1 2 982 1 1 28 LEU HA H 11.811 4.302 3.294 1.00 . A A . 28 LEU HA 1 1 2 983 1 1 28 LEU HB2 H 10.485 1.697 4.061 1.00 . A A . 28 LEU HB2 1 1 2 984 1 1 28 LEU HB3 H 11.177 2.862 5.168 1.00 . A A . 28 LEU HB3 1 1 2 985 1 1 28 LEU HD11 H 8.321 1.765 5.231 1.00 . A A . 28 LEU HD11 1 1 2 986 1 1 28 LEU HD12 H 7.529 3.311 5.529 1.00 . A A . 28 LEU HD12 1 1 2 987 1 1 28 LEU HD13 H 9.009 2.898 6.392 1.00 . A A . 28 LEU HD13 1 1 2 988 1 1 28 LEU HD21 H 10.007 5.380 3.767 1.00 . A A . 28 LEU HD21 1 1 2 989 1 1 28 LEU HD22 H 10.060 5.078 5.503 1.00 . A A . 28 LEU HD22 1 1 2 990 1 1 28 LEU HD23 H 8.518 5.399 4.711 1.00 . A A . 28 LEU HD23 1 1 2 991 1 1 28 LEU HG H 8.764 3.322 3.419 1.00 . A A . 28 LEU HG 1 1 2 992 1 1 28 LEU N N 10.915 3.160 1.817 1.00 . A A . 28 LEU N 1 1 2 993 1 1 28 LEU O O 13.892 2.886 3.604 1.00 . A A . 28 LEU O 1 1 2 994 1 1 29 LYS C C 14.950 0.922 1.432 1.00 . A A . 29 LYS C 1 1 2 995 1 1 29 LYS CA C 13.934 0.368 2.426 1.00 . A A . 29 LYS CA 1 1 2 996 1 1 29 LYS CB C 13.508 -1.042 1.995 1.00 . A A . 29 LYS CB 1 1 2 997 1 1 29 LYS CD C 12.637 -1.543 4.307 1.00 . A A . 29 LYS CD 1 1 2 998 1 1 29 LYS CE C 11.546 -2.230 5.116 1.00 . A A . 29 LYS CE 1 1 2 999 1 1 29 LYS CG C 12.367 -1.633 2.813 1.00 . A A . 29 LYS CG 1 1 2 1000 1 1 29 LYS H H 11.923 0.968 2.131 1.00 . A A . 29 LYS H 1 1 2 1001 1 1 29 LYS HA H 14.392 0.316 3.403 1.00 . A A . 29 LYS HA 1 1 2 1002 1 1 29 LYS HB2 H 13.196 -1.010 0.961 1.00 . A A . 29 LYS HB2 1 1 2 1003 1 1 29 LYS HB3 H 14.360 -1.702 2.079 1.00 . A A . 29 LYS HB3 1 1 2 1004 1 1 29 LYS HD2 H 13.583 -2.016 4.523 1.00 . A A . 29 LYS HD2 1 1 2 1005 1 1 29 LYS HD3 H 12.677 -0.501 4.586 1.00 . A A . 29 LYS HD3 1 1 2 1006 1 1 29 LYS HE2 H 11.696 -2.004 6.162 1.00 . A A . 29 LYS HE2 1 1 2 1007 1 1 29 LYS HE3 H 10.586 -1.847 4.801 1.00 . A A . 29 LYS HE3 1 1 2 1008 1 1 29 LYS HG2 H 11.461 -1.091 2.589 1.00 . A A . 29 LYS HG2 1 1 2 1009 1 1 29 LYS HG3 H 12.243 -2.672 2.541 1.00 . A A . 29 LYS HG3 1 1 2 1010 1 1 29 LYS HZ1 H 12.455 -4.103 5.292 1.00 . A A . 29 LYS HZ1 1 1 2 1011 1 1 29 LYS HZ2 H 11.472 -3.944 3.926 1.00 . A A . 29 LYS HZ2 1 1 2 1012 1 1 29 LYS HZ3 H 10.770 -4.140 5.450 1.00 . A A . 29 LYS HZ3 1 1 2 1013 1 1 29 LYS N N 12.781 1.256 2.517 1.00 . A A . 29 LYS N 1 1 2 1014 1 1 29 LYS NZ N 11.563 -3.706 4.934 1.00 . A A . 29 LYS NZ 1 1 2 1015 1 1 29 LYS O O 16.157 0.758 1.617 1.00 . A A . 29 LYS O 1 1 2 1016 1 1 30 ARG C C 15.981 1.117 -1.468 1.00 . A A . 30 ARG C 1 1 2 1017 1 1 30 ARG CA C 15.249 2.184 -0.662 1.00 . A A . 30 ARG CA 1 1 2 1018 1 1 30 ARG CB C 16.230 3.192 -0.076 1.00 . A A . 30 ARG CB 1 1 2 1019 1 1 30 ARG CD C 14.975 5.261 -0.793 1.00 . A A . 30 ARG CD 1 1 2 1020 1 1 30 ARG CG C 15.587 4.495 0.373 1.00 . A A . 30 ARG CG 1 1 2 1021 1 1 30 ARG CZ C 13.608 7.296 -1.123 1.00 . A A . 30 ARG CZ 1 1 2 1022 1 1 30 ARG H H 13.469 1.687 0.345 1.00 . A A . 30 ARG H 1 1 2 1023 1 1 30 ARG HA H 14.576 2.702 -1.326 1.00 . A A . 30 ARG HA 1 1 2 1024 1 1 30 ARG HB2 H 16.694 2.740 0.784 1.00 . A A . 30 ARG HB2 1 1 2 1025 1 1 30 ARG HB3 H 16.985 3.417 -0.813 1.00 . A A . 30 ARG HB3 1 1 2 1026 1 1 30 ARG HD2 H 15.753 5.487 -1.507 1.00 . A A . 30 ARG HD2 1 1 2 1027 1 1 30 ARG HD3 H 14.224 4.642 -1.260 1.00 . A A . 30 ARG HD3 1 1 2 1028 1 1 30 ARG HE H 14.506 6.773 0.587 1.00 . A A . 30 ARG HE 1 1 2 1029 1 1 30 ARG HG2 H 14.810 4.270 1.087 1.00 . A A . 30 ARG HG2 1 1 2 1030 1 1 30 ARG HG3 H 16.341 5.111 0.841 1.00 . A A . 30 ARG HG3 1 1 2 1031 1 1 30 ARG HH11 H 13.764 6.132 -2.776 1.00 . A A . 30 ARG HH11 1 1 2 1032 1 1 30 ARG HH12 H 12.806 7.566 -2.968 1.00 . A A . 30 ARG HH12 1 1 2 1033 1 1 30 ARG HH21 H 13.258 8.657 0.336 1.00 . A A . 30 ARG HH21 1 1 2 1034 1 1 30 ARG HH22 H 12.531 9.013 -1.200 1.00 . A A . 30 ARG HH22 1 1 2 1035 1 1 30 ARG N N 14.437 1.590 0.396 1.00 . A A . 30 ARG N 1 1 2 1036 1 1 30 ARG NE N 14.357 6.509 -0.350 1.00 . A A . 30 ARG NE 1 1 2 1037 1 1 30 ARG NH1 N 13.375 6.972 -2.390 1.00 . A A . 30 ARG NH1 1 1 2 1038 1 1 30 ARG NH2 N 13.089 8.409 -0.621 1.00 . A A . 30 ARG NH2 1 1 2 1039 1 1 30 ARG O O 17.100 0.723 -1.082 1.00 . A A . 30 ARG O 1 1 2 1040 1 1 30 ARG OXT O 15.426 0.664 -2.487 1.00 . A A . 30 ARG OXT 1 1 3 1041 1 1 1 MET C C -14.303 6.484 15.649 1.00 . A A . 1 MET C 1 1 3 1042 1 1 1 MET CA C -14.266 5.147 16.382 1.00 . A A . 1 MET CA 1 1 3 1043 1 1 1 MET CB C -15.269 5.166 17.542 1.00 . A A . 1 MET CB 1 1 3 1044 1 1 1 MET CE C -18.133 4.230 18.711 1.00 . A A . 1 MET CE 1 1 3 1045 1 1 1 MET CG C -15.422 3.829 18.250 1.00 . A A . 1 MET CG 1 1 3 1046 1 1 1 MET H1 H -12.591 5.609 17.530 1.00 . A A . 1 MET H1 1 1 3 1047 1 1 1 MET H2 H -12.234 4.812 16.085 1.00 . A A . 1 MET H2 1 1 3 1048 1 1 1 MET H3 H -12.882 3.951 17.380 1.00 . A A . 1 MET H3 1 1 3 1049 1 1 1 MET HA H -14.541 4.365 15.689 1.00 . A A . 1 MET HA 1 1 3 1050 1 1 1 MET HB2 H -14.947 5.895 18.269 1.00 . A A . 1 MET HB2 1 1 3 1051 1 1 1 MET HB3 H -16.236 5.457 17.159 1.00 . A A . 1 MET HB3 1 1 3 1052 1 1 1 MET HE1 H -18.045 5.181 18.207 1.00 . A A . 1 MET HE1 1 1 3 1053 1 1 1 MET HE2 H -18.959 4.266 19.406 1.00 . A A . 1 MET HE2 1 1 3 1054 1 1 1 MET HE3 H -18.309 3.451 17.984 1.00 . A A . 1 MET HE3 1 1 3 1055 1 1 1 MET HG2 H -15.748 3.092 17.531 1.00 . A A . 1 MET HG2 1 1 3 1056 1 1 1 MET HG3 H -14.462 3.538 18.648 1.00 . A A . 1 MET HG3 1 1 3 1057 1 1 1 MET N N -12.900 4.861 16.880 1.00 . A A . 1 MET N 1 1 3 1058 1 1 1 MET O O -15.287 7.221 15.733 1.00 . A A . 1 MET O 1 1 3 1059 1 1 1 MET SD S -16.617 3.882 19.602 1.00 . A A . 1 MET SD 1 1 3 1060 1 1 2 ALA C C -13.543 7.867 12.743 1.00 . A A . 2 ALA C 1 1 3 1061 1 1 2 ALA CA C -13.159 8.061 14.201 1.00 . A A . 2 ALA CA 1 1 3 1062 1 1 2 ALA CB C -11.768 8.661 14.316 1.00 . A A . 2 ALA CB 1 1 3 1063 1 1 2 ALA H H -12.481 6.173 14.876 1.00 . A A . 2 ALA H 1 1 3 1064 1 1 2 ALA HA H -13.859 8.740 14.652 1.00 . A A . 2 ALA HA 1 1 3 1065 1 1 2 ALA HB1 H -11.743 9.614 13.804 1.00 . A A . 2 ALA HB1 1 1 3 1066 1 1 2 ALA HB2 H -11.049 7.994 13.867 1.00 . A A . 2 ALA HB2 1 1 3 1067 1 1 2 ALA HB3 H -11.525 8.807 15.357 1.00 . A A . 2 ALA HB3 1 1 3 1068 1 1 2 ALA N N -13.233 6.800 14.929 1.00 . A A . 2 ALA N 1 1 3 1069 1 1 2 ALA O O -13.752 8.828 12.001 1.00 . A A . 2 ALA O 1 1 3 1070 1 1 3 THR C C -15.391 5.559 11.017 1.00 . A A . 3 THR C 1 1 3 1071 1 1 3 THR CA C -14.040 6.261 10.995 1.00 . A A . 3 THR CA 1 1 3 1072 1 1 3 THR CB C -12.991 5.364 10.312 1.00 . A A . 3 THR CB 1 1 3 1073 1 1 3 THR CG2 C -11.884 6.200 9.690 1.00 . A A . 3 THR CG2 1 1 3 1074 1 1 3 THR H H -13.431 5.899 12.980 1.00 . A A . 3 THR H 1 1 3 1075 1 1 3 THR HA H -14.130 7.174 10.425 1.00 . A A . 3 THR HA 1 1 3 1076 1 1 3 THR HB H -13.478 4.800 9.529 1.00 . A A . 3 THR HB 1 1 3 1077 1 1 3 THR HG1 H -11.534 4.739 11.491 1.00 . A A . 3 THR HG1 1 1 3 1078 1 1 3 THR HG21 H -12.310 6.875 8.963 1.00 . A A . 3 THR HG21 1 1 3 1079 1 1 3 THR HG22 H -11.172 5.551 9.204 1.00 . A A . 3 THR HG22 1 1 3 1080 1 1 3 THR HG23 H -11.388 6.769 10.461 1.00 . A A . 3 THR HG23 1 1 3 1081 1 1 3 THR N N -13.633 6.613 12.343 1.00 . A A . 3 THR N 1 1 3 1082 1 1 3 THR O O -15.713 4.837 11.965 1.00 . A A . 3 THR O 1 1 3 1083 1 1 3 THR OG1 O -12.429 4.448 11.265 1.00 . A A . 3 THR OG1 1 1 3 1084 1 1 4 LYS C C -17.489 3.887 9.154 1.00 . A A . 4 LYS C 1 1 3 1085 1 1 4 LYS CA C -17.517 5.211 9.908 1.00 . A A . 4 LYS CA 1 1 3 1086 1 1 4 LYS CB C -18.479 6.187 9.226 1.00 . A A . 4 LYS CB 1 1 3 1087 1 1 4 LYS CD C -19.663 8.412 9.309 1.00 . A A . 4 LYS CD 1 1 3 1088 1 1 4 LYS CE C -19.246 8.815 7.904 1.00 . A A . 4 LYS CE 1 1 3 1089 1 1 4 LYS CG C -18.629 7.508 9.966 1.00 . A A . 4 LYS CG 1 1 3 1090 1 1 4 LYS H H -15.868 6.351 9.247 1.00 . A A . 4 LYS H 1 1 3 1091 1 1 4 LYS HA H -17.858 5.033 10.917 1.00 . A A . 4 LYS HA 1 1 3 1092 1 1 4 LYS HB2 H -18.116 6.394 8.230 1.00 . A A . 4 LYS HB2 1 1 3 1093 1 1 4 LYS HB3 H -19.452 5.726 9.155 1.00 . A A . 4 LYS HB3 1 1 3 1094 1 1 4 LYS HD2 H -20.604 7.885 9.256 1.00 . A A . 4 LYS HD2 1 1 3 1095 1 1 4 LYS HD3 H -19.780 9.302 9.910 1.00 . A A . 4 LYS HD3 1 1 3 1096 1 1 4 LYS HE2 H -18.318 9.364 7.961 1.00 . A A . 4 LYS HE2 1 1 3 1097 1 1 4 LYS HE3 H -19.098 7.921 7.319 1.00 . A A . 4 LYS HE3 1 1 3 1098 1 1 4 LYS HG2 H -18.936 7.306 10.980 1.00 . A A . 4 LYS HG2 1 1 3 1099 1 1 4 LYS HG3 H -17.674 8.014 9.972 1.00 . A A . 4 LYS HG3 1 1 3 1100 1 1 4 LYS HZ1 H -19.958 9.912 6.276 1.00 . A A . 4 LYS HZ1 1 1 3 1101 1 1 4 LYS HZ2 H -20.416 10.540 7.775 1.00 . A A . 4 LYS HZ2 1 1 3 1102 1 1 4 LYS HZ3 H -21.173 9.155 7.174 1.00 . A A . 4 LYS HZ3 1 1 3 1103 1 1 4 LYS N N -16.187 5.787 9.983 1.00 . A A . 4 LYS N 1 1 3 1104 1 1 4 LYS NZ N -20.269 9.664 7.237 1.00 . A A . 4 LYS NZ 1 1 3 1105 1 1 4 LYS O O -17.004 3.813 8.025 1.00 . A A . 4 LYS O 1 1 3 1106 1 1 5 HIS C C -19.344 1.376 8.352 1.00 . A A . 5 HIS C 1 1 3 1107 1 1 5 HIS CA C -18.056 1.525 9.165 1.00 . A A . 5 HIS CA 1 1 3 1108 1 1 5 HIS CB C -17.957 0.436 10.237 1.00 . A A . 5 HIS CB 1 1 3 1109 1 1 5 HIS CD2 C -16.461 -1.429 9.217 1.00 . A A . 5 HIS CD2 1 1 3 1110 1 1 5 HIS CE1 C -17.942 -3.043 9.180 1.00 . A A . 5 HIS CE1 1 1 3 1111 1 1 5 HIS CG C -17.620 -0.928 9.708 1.00 . A A . 5 HIS CG 1 1 3 1112 1 1 5 HIS H H -18.380 2.965 10.687 1.00 . A A . 5 HIS H 1 1 3 1113 1 1 5 HIS HA H -17.211 1.443 8.496 1.00 . A A . 5 HIS HA 1 1 3 1114 1 1 5 HIS HB2 H -17.190 0.710 10.945 1.00 . A A . 5 HIS HB2 1 1 3 1115 1 1 5 HIS HB3 H -18.903 0.366 10.750 1.00 . A A . 5 HIS HB3 1 1 3 1116 1 1 5 HIS HD1 H -19.465 -1.921 9.962 1.00 . A A . 5 HIS HD1 1 1 3 1117 1 1 5 HIS HD2 H -15.531 -0.892 9.098 1.00 . A A . 5 HIS HD2 1 1 3 1118 1 1 5 HIS HE1 H -18.410 -4.004 9.031 1.00 . A A . 5 HIS HE1 1 1 3 1119 1 1 5 HIS HE2 H -15.989 -3.404 8.679 1.00 . A A . 5 HIS HE2 1 1 3 1120 1 1 5 HIS N N -18.012 2.846 9.782 1.00 . A A . 5 HIS N 1 1 3 1121 1 1 5 HIS ND1 N -18.527 -1.966 9.669 1.00 . A A . 5 HIS ND1 1 1 3 1122 1 1 5 HIS NE2 N -16.687 -2.746 8.898 1.00 . A A . 5 HIS NE2 1 1 3 1123 1 1 5 HIS O O -19.661 0.302 7.839 1.00 . A A . 5 HIS O 1 1 3 1124 1 1 6 GLY C C -20.891 2.594 5.943 1.00 . A A . 6 GLY C 1 1 3 1125 1 1 6 GLY CA C -21.268 2.491 7.405 1.00 . A A . 6 GLY CA 1 1 3 1126 1 1 6 GLY H H -19.851 3.266 8.769 1.00 . A A . 6 GLY H 1 1 3 1127 1 1 6 GLY HA2 H -21.834 1.583 7.565 1.00 . A A . 6 GLY HA2 1 1 3 1128 1 1 6 GLY HA3 H -21.882 3.340 7.671 1.00 . A A . 6 GLY HA3 1 1 3 1129 1 1 6 GLY N N -20.093 2.469 8.252 1.00 . A A . 6 GLY N 1 1 3 1130 1 1 6 GLY O O -21.652 2.193 5.063 1.00 . A A . 6 GLY O 1 1 3 1131 1 1 7 LYS C C -18.872 1.845 3.788 1.00 . A A . 7 LYS C 1 1 3 1132 1 1 7 LYS CA C -19.177 3.239 4.335 1.00 . A A . 7 LYS CA 1 1 3 1133 1 1 7 LYS CB C -17.907 4.098 4.343 1.00 . A A . 7 LYS CB 1 1 3 1134 1 1 7 LYS CD C -18.172 5.577 2.318 1.00 . A A . 7 LYS CD 1 1 3 1135 1 1 7 LYS CE C -17.622 5.928 0.944 1.00 . A A . 7 LYS CE 1 1 3 1136 1 1 7 LYS CG C -17.376 4.455 2.960 1.00 . A A . 7 LYS CG 1 1 3 1137 1 1 7 LYS H H -19.158 3.449 6.436 1.00 . A A . 7 LYS H 1 1 3 1138 1 1 7 LYS HA H -19.926 3.711 3.716 1.00 . A A . 7 LYS HA 1 1 3 1139 1 1 7 LYS HB2 H -18.115 5.016 4.868 1.00 . A A . 7 LYS HB2 1 1 3 1140 1 1 7 LYS HB3 H -17.132 3.563 4.873 1.00 . A A . 7 LYS HB3 1 1 3 1141 1 1 7 LYS HD2 H -19.200 5.266 2.215 1.00 . A A . 7 LYS HD2 1 1 3 1142 1 1 7 LYS HD3 H -18.121 6.451 2.951 1.00 . A A . 7 LYS HD3 1 1 3 1143 1 1 7 LYS HE2 H -16.560 6.106 1.031 1.00 . A A . 7 LYS HE2 1 1 3 1144 1 1 7 LYS HE3 H -17.790 5.093 0.280 1.00 . A A . 7 LYS HE3 1 1 3 1145 1 1 7 LYS HG2 H -16.346 4.768 3.050 1.00 . A A . 7 LYS HG2 1 1 3 1146 1 1 7 LYS HG3 H -17.434 3.580 2.328 1.00 . A A . 7 LYS HG3 1 1 3 1147 1 1 7 LYS HZ1 H -17.892 7.327 -0.581 1.00 . A A . 7 LYS HZ1 1 1 3 1148 1 1 7 LYS HZ2 H -18.076 7.965 0.977 1.00 . A A . 7 LYS HZ2 1 1 3 1149 1 1 7 LYS HZ3 H -19.295 7.001 0.306 1.00 . A A . 7 LYS HZ3 1 1 3 1150 1 1 7 LYS N N -19.702 3.129 5.688 1.00 . A A . 7 LYS N 1 1 3 1151 1 1 7 LYS NZ N -18.266 7.138 0.372 1.00 . A A . 7 LYS NZ 1 1 3 1152 1 1 7 LYS O O -18.578 0.921 4.548 1.00 . A A . 7 LYS O 1 1 3 1153 1 1 8 ASN C C -17.643 0.486 0.775 1.00 . A A . 8 ASN C 1 1 3 1154 1 1 8 ASN CA C -18.724 0.395 1.846 1.00 . A A . 8 ASN CA 1 1 3 1155 1 1 8 ASN CB C -20.020 -0.135 1.225 1.00 . A A . 8 ASN CB 1 1 3 1156 1 1 8 ASN CG C -19.790 -1.346 0.341 1.00 . A A . 8 ASN CG 1 1 3 1157 1 1 8 ASN H H -19.199 2.457 1.922 1.00 . A A . 8 ASN H 1 1 3 1158 1 1 8 ASN HA H -18.397 -0.292 2.612 1.00 . A A . 8 ASN HA 1 1 3 1159 1 1 8 ASN HB2 H -20.702 -0.414 2.014 1.00 . A A . 8 ASN HB2 1 1 3 1160 1 1 8 ASN HB3 H -20.469 0.644 0.626 1.00 . A A . 8 ASN HB3 1 1 3 1161 1 1 8 ASN HD21 H -19.736 -3.329 0.361 1.00 . A A . 8 ASN HD21 1 1 3 1162 1 1 8 ASN HD22 H -20.086 -2.569 1.877 1.00 . A A . 8 ASN HD22 1 1 3 1163 1 1 8 ASN N N -18.959 1.688 2.479 1.00 . A A . 8 ASN N 1 1 3 1164 1 1 8 ASN ND2 N -19.879 -2.532 0.919 1.00 . A A . 8 ASN ND2 1 1 3 1165 1 1 8 ASN O O -16.771 -0.380 0.686 1.00 . A A . 8 ASN O 1 1 3 1166 1 1 8 ASN OD1 O -19.536 -1.215 -0.855 1.00 . A A . 8 ASN OD1 1 1 3 1167 1 1 9 SER C C -15.363 1.903 -0.838 1.00 . A A . 9 SER C 1 1 3 1168 1 1 9 SER CA C -16.830 1.679 -1.190 1.00 . A A . 9 SER CA 1 1 3 1169 1 1 9 SER CB C -17.339 2.813 -2.078 1.00 . A A . 9 SER CB 1 1 3 1170 1 1 9 SER H H -18.329 2.266 0.176 1.00 . A A . 9 SER H 1 1 3 1171 1 1 9 SER HA H -16.899 0.757 -1.736 1.00 . A A . 9 SER HA 1 1 3 1172 1 1 9 SER HB2 H -17.220 3.753 -1.562 1.00 . A A . 9 SER HB2 1 1 3 1173 1 1 9 SER HB3 H -16.772 2.832 -2.997 1.00 . A A . 9 SER HB3 1 1 3 1174 1 1 9 SER HG H -18.828 1.782 -2.829 1.00 . A A . 9 SER HG 1 1 3 1175 1 1 9 SER N N -17.688 1.551 -0.018 1.00 . A A . 9 SER N 1 1 3 1176 1 1 9 SER O O -14.513 1.992 -1.725 1.00 . A A . 9 SER O 1 1 3 1177 1 1 9 SER OG O -18.711 2.634 -2.389 1.00 . A A . 9 SER OG 1 1 3 1178 1 1 10 TRP C C -12.876 0.900 0.716 1.00 . A A . 10 TRP C 1 1 3 1179 1 1 10 TRP CA C -13.677 2.180 0.849 1.00 . A A . 10 TRP CA 1 1 3 1180 1 1 10 TRP CB C -13.558 2.643 2.284 1.00 . A A . 10 TRP CB 1 1 3 1181 1 1 10 TRP CD1 C -15.490 1.693 3.639 1.00 . A A . 10 TRP CD1 1 1 3 1182 1 1 10 TRP CD2 C -13.529 0.725 3.934 1.00 . A A . 10 TRP CD2 1 1 3 1183 1 1 10 TRP CE2 C -14.439 0.103 4.787 1.00 . A A . 10 TRP CE2 1 1 3 1184 1 1 10 TRP CE3 C -12.225 0.309 3.901 1.00 . A A . 10 TRP CE3 1 1 3 1185 1 1 10 TRP CG C -14.198 1.735 3.248 1.00 . A A . 10 TRP CG 1 1 3 1186 1 1 10 TRP CH2 C -12.749 -1.326 5.571 1.00 . A A . 10 TRP CH2 1 1 3 1187 1 1 10 TRP CZ2 C -14.059 -0.934 5.619 1.00 . A A . 10 TRP CZ2 1 1 3 1188 1 1 10 TRP CZ3 C -11.843 -0.707 4.709 1.00 . A A . 10 TRP CZ3 1 1 3 1189 1 1 10 TRP H H -15.756 1.914 1.118 1.00 . A A . 10 TRP H 1 1 3 1190 1 1 10 TRP HA H -13.244 2.929 0.205 1.00 . A A . 10 TRP HA 1 1 3 1191 1 1 10 TRP HB2 H -12.513 2.688 2.540 1.00 . A A . 10 TRP HB2 1 1 3 1192 1 1 10 TRP HB3 H -13.969 3.601 2.408 1.00 . A A . 10 TRP HB3 1 1 3 1193 1 1 10 TRP HD1 H -16.257 2.345 3.253 1.00 . A A . 10 TRP HD1 1 1 3 1194 1 1 10 TRP HE1 H -16.492 0.492 5.060 1.00 . A A . 10 TRP HE1 1 1 3 1195 1 1 10 TRP HE3 H -11.521 0.757 3.214 1.00 . A A . 10 TRP HE3 1 1 3 1196 1 1 10 TRP HH2 H -12.400 -2.126 6.195 1.00 . A A . 10 TRP HH2 1 1 3 1197 1 1 10 TRP HZ2 H -14.748 -1.412 6.285 1.00 . A A . 10 TRP HZ2 1 1 3 1198 1 1 10 TRP HZ3 H -10.828 -1.021 4.689 1.00 . A A . 10 TRP HZ3 1 1 3 1199 1 1 10 TRP N N -15.054 1.987 0.443 1.00 . A A . 10 TRP N 1 1 3 1200 1 1 10 TRP NE1 N -15.650 0.716 4.595 1.00 . A A . 10 TRP NE1 1 1 3 1201 1 1 10 TRP O O -11.697 0.947 0.488 1.00 . A A . 10 TRP O 1 1 3 1202 1 1 11 LYS C C -12.079 -1.669 -0.501 1.00 . A A . 11 LYS C 1 1 3 1203 1 1 11 LYS CA C -12.758 -1.493 0.852 1.00 . A A . 11 LYS CA 1 1 3 1204 1 1 11 LYS CB C -13.683 -2.652 1.122 1.00 . A A . 11 LYS CB 1 1 3 1205 1 1 11 LYS CD C -14.929 -4.022 2.830 1.00 . A A . 11 LYS CD 1 1 3 1206 1 1 11 LYS CE C -16.330 -3.497 2.555 1.00 . A A . 11 LYS CE 1 1 3 1207 1 1 11 LYS CG C -13.869 -2.958 2.598 1.00 . A A . 11 LYS CG 1 1 3 1208 1 1 11 LYS H H -14.467 -0.252 1.052 1.00 . A A . 11 LYS H 1 1 3 1209 1 1 11 LYS HA H -11.994 -1.458 1.623 1.00 . A A . 11 LYS HA 1 1 3 1210 1 1 11 LYS HB2 H -14.649 -2.436 0.692 1.00 . A A . 11 LYS HB2 1 1 3 1211 1 1 11 LYS HB3 H -13.269 -3.501 0.641 1.00 . A A . 11 LYS HB3 1 1 3 1212 1 1 11 LYS HD2 H -14.734 -4.857 2.175 1.00 . A A . 11 LYS HD2 1 1 3 1213 1 1 11 LYS HD3 H -14.874 -4.352 3.859 1.00 . A A . 11 LYS HD3 1 1 3 1214 1 1 11 LYS HE2 H -16.514 -2.644 3.191 1.00 . A A . 11 LYS HE2 1 1 3 1215 1 1 11 LYS HE3 H -16.390 -3.193 1.520 1.00 . A A . 11 LYS HE3 1 1 3 1216 1 1 11 LYS HG2 H -12.932 -3.308 3.002 1.00 . A A . 11 LYS HG2 1 1 3 1217 1 1 11 LYS HG3 H -14.164 -2.052 3.107 1.00 . A A . 11 LYS HG3 1 1 3 1218 1 1 11 LYS HZ1 H -17.291 -5.300 2.124 1.00 . A A . 11 LYS HZ1 1 1 3 1219 1 1 11 LYS HZ2 H -18.318 -4.108 2.745 1.00 . A A . 11 LYS HZ2 1 1 3 1220 1 1 11 LYS HZ3 H -17.250 -4.920 3.771 1.00 . A A . 11 LYS HZ3 1 1 3 1221 1 1 11 LYS N N -13.500 -0.241 0.893 1.00 . A A . 11 LYS N 1 1 3 1222 1 1 11 LYS NZ N -17.369 -4.527 2.816 1.00 . A A . 11 LYS NZ 1 1 3 1223 1 1 11 LYS O O -10.973 -2.196 -0.607 1.00 . A A . 11 LYS O 1 1 3 1224 1 1 12 THR C C -11.035 -0.179 -2.953 1.00 . A A . 12 THR C 1 1 3 1225 1 1 12 THR CA C -12.242 -1.134 -2.867 1.00 . A A . 12 THR CA 1 1 3 1226 1 1 12 THR CB C -13.399 -0.695 -3.782 1.00 . A A . 12 THR CB 1 1 3 1227 1 1 12 THR CG2 C -12.941 0.116 -4.985 1.00 . A A . 12 THR CG2 1 1 3 1228 1 1 12 THR H H -13.659 -0.834 -1.346 1.00 . A A . 12 THR H 1 1 3 1229 1 1 12 THR HA H -11.932 -2.128 -3.152 1.00 . A A . 12 THR HA 1 1 3 1230 1 1 12 THR HB H -14.052 -0.080 -3.178 1.00 . A A . 12 THR HB 1 1 3 1231 1 1 12 THR HG1 H -15.026 -1.817 -3.806 1.00 . A A . 12 THR HG1 1 1 3 1232 1 1 12 THR HG21 H -12.286 -0.486 -5.598 1.00 . A A . 12 THR HG21 1 1 3 1233 1 1 12 THR HG22 H -12.411 0.994 -4.645 1.00 . A A . 12 THR HG22 1 1 3 1234 1 1 12 THR HG23 H -13.802 0.416 -5.561 1.00 . A A . 12 THR HG23 1 1 3 1235 1 1 12 THR N N -12.757 -1.184 -1.515 1.00 . A A . 12 THR N 1 1 3 1236 1 1 12 THR O O -10.143 -0.338 -3.790 1.00 . A A . 12 THR O 1 1 3 1237 1 1 12 THR OG1 O -14.146 -1.839 -4.213 1.00 . A A . 12 THR OG1 1 1 3 1238 1 1 13 LEU C C -8.842 1.104 -0.973 1.00 . A A . 13 LEU C 1 1 3 1239 1 1 13 LEU CA C -9.897 1.719 -1.883 1.00 . A A . 13 LEU CA 1 1 3 1240 1 1 13 LEU CB C -10.417 3.027 -1.249 1.00 . A A . 13 LEU CB 1 1 3 1241 1 1 13 LEU CD1 C -9.256 4.994 -0.202 1.00 . A A . 13 LEU CD1 1 1 3 1242 1 1 13 LEU CD2 C -10.470 3.370 1.264 1.00 . A A . 13 LEU CD2 1 1 3 1243 1 1 13 LEU CG C -9.645 3.538 -0.018 1.00 . A A . 13 LEU CG 1 1 3 1244 1 1 13 LEU H H -11.793 0.892 -1.457 1.00 . A A . 13 LEU H 1 1 3 1245 1 1 13 LEU HA H -9.464 1.924 -2.853 1.00 . A A . 13 LEU HA 1 1 3 1246 1 1 13 LEU HB2 H -10.400 3.799 -1.998 1.00 . A A . 13 LEU HB2 1 1 3 1247 1 1 13 LEU HB3 H -11.441 2.861 -0.945 1.00 . A A . 13 LEU HB3 1 1 3 1248 1 1 13 LEU HD11 H -8.721 5.337 0.671 1.00 . A A . 13 LEU HD11 1 1 3 1249 1 1 13 LEU HD12 H -10.146 5.591 -0.336 1.00 . A A . 13 LEU HD12 1 1 3 1250 1 1 13 LEU HD13 H -8.624 5.090 -1.073 1.00 . A A . 13 LEU HD13 1 1 3 1251 1 1 13 LEU HD21 H -9.894 3.696 2.114 1.00 . A A . 13 LEU HD21 1 1 3 1252 1 1 13 LEU HD22 H -10.739 2.324 1.393 1.00 . A A . 13 LEU HD22 1 1 3 1253 1 1 13 LEU HD23 H -11.375 3.959 1.196 1.00 . A A . 13 LEU HD23 1 1 3 1254 1 1 13 LEU HG H -8.743 2.961 0.090 1.00 . A A . 13 LEU HG 1 1 3 1255 1 1 13 LEU N N -11.017 0.793 -2.050 1.00 . A A . 13 LEU N 1 1 3 1256 1 1 13 LEU O O -7.653 1.395 -1.069 1.00 . A A . 13 LEU O 1 1 3 1257 1 1 14 TYR C C -7.481 -1.241 0.609 1.00 . A A . 14 TYR C 1 1 3 1258 1 1 14 TYR CA C -8.535 -0.234 1.020 1.00 . A A . 14 TYR CA 1 1 3 1259 1 1 14 TYR CB C -9.463 -0.861 2.044 1.00 . A A . 14 TYR CB 1 1 3 1260 1 1 14 TYR CD1 C -8.156 -2.434 3.464 1.00 . A A . 14 TYR CD1 1 1 3 1261 1 1 14 TYR CD2 C -8.633 -0.268 4.320 1.00 . A A . 14 TYR CD2 1 1 3 1262 1 1 14 TYR CE1 C -7.455 -2.746 4.597 1.00 . A A . 14 TYR CE1 1 1 3 1263 1 1 14 TYR CE2 C -7.937 -0.566 5.471 1.00 . A A . 14 TYR CE2 1 1 3 1264 1 1 14 TYR CG C -8.750 -1.200 3.308 1.00 . A A . 14 TYR CG 1 1 3 1265 1 1 14 TYR CZ C -7.344 -1.809 5.607 1.00 . A A . 14 TYR CZ 1 1 3 1266 1 1 14 TYR H H -10.223 -0.098 -0.218 1.00 . A A . 14 TYR H 1 1 3 1267 1 1 14 TYR HA H -8.050 0.616 1.467 1.00 . A A . 14 TYR HA 1 1 3 1268 1 1 14 TYR HB2 H -10.256 -0.171 2.273 1.00 . A A . 14 TYR HB2 1 1 3 1269 1 1 14 TYR HB3 H -9.881 -1.770 1.639 1.00 . A A . 14 TYR HB3 1 1 3 1270 1 1 14 TYR HD1 H -8.251 -3.161 2.674 1.00 . A A . 14 TYR HD1 1 1 3 1271 1 1 14 TYR HD2 H -9.116 0.701 4.204 1.00 . A A . 14 TYR HD2 1 1 3 1272 1 1 14 TYR HE1 H -6.994 -3.719 4.683 1.00 . A A . 14 TYR HE1 1 1 3 1273 1 1 14 TYR HE2 H -7.851 0.173 6.250 1.00 . A A . 14 TYR HE2 1 1 3 1274 1 1 14 TYR HH H -5.791 -2.493 6.512 1.00 . A A . 14 TYR HH 1 1 3 1275 1 1 14 TYR N N -9.308 0.233 -0.104 1.00 . A A . 14 TYR N 1 1 3 1276 1 1 14 TYR O O -6.361 -1.226 1.113 1.00 . A A . 14 TYR O 1 1 3 1277 1 1 14 TYR OH O -6.644 -2.110 6.754 1.00 . A A . 14 TYR OH 1 1 3 1278 1 1 15 LEU C C -5.937 -2.518 -1.714 1.00 . A A . 15 LEU C 1 1 3 1279 1 1 15 LEU CA C -6.907 -3.138 -0.723 1.00 . A A . 15 LEU CA 1 1 3 1280 1 1 15 LEU CB C -7.655 -4.322 -1.312 1.00 . A A . 15 LEU CB 1 1 3 1281 1 1 15 LEU CD1 C -9.768 -5.666 -1.317 1.00 . A A . 15 LEU CD1 1 1 3 1282 1 1 15 LEU CD2 C -8.429 -5.470 0.775 1.00 . A A . 15 LEU CD2 1 1 3 1283 1 1 15 LEU CG C -8.867 -4.762 -0.496 1.00 . A A . 15 LEU CG 1 1 3 1284 1 1 15 LEU H H -8.729 -2.086 -0.680 1.00 . A A . 15 LEU H 1 1 3 1285 1 1 15 LEU HA H -6.360 -3.465 0.146 1.00 . A A . 15 LEU HA 1 1 3 1286 1 1 15 LEU HB2 H -7.973 -4.077 -2.314 1.00 . A A . 15 LEU HB2 1 1 3 1287 1 1 15 LEU HB3 H -6.971 -5.148 -1.351 1.00 . A A . 15 LEU HB3 1 1 3 1288 1 1 15 LEU HD11 H -10.627 -5.948 -0.727 1.00 . A A . 15 LEU HD11 1 1 3 1289 1 1 15 LEU HD12 H -9.222 -6.550 -1.605 1.00 . A A . 15 LEU HD12 1 1 3 1290 1 1 15 LEU HD13 H -10.096 -5.139 -2.200 1.00 . A A . 15 LEU HD13 1 1 3 1291 1 1 15 LEU HD21 H -9.297 -5.725 1.364 1.00 . A A . 15 LEU HD21 1 1 3 1292 1 1 15 LEU HD22 H -7.785 -4.819 1.348 1.00 . A A . 15 LEU HD22 1 1 3 1293 1 1 15 LEU HD23 H -7.892 -6.371 0.518 1.00 . A A . 15 LEU HD23 1 1 3 1294 1 1 15 LEU HG H -9.431 -3.887 -0.211 1.00 . A A . 15 LEU HG 1 1 3 1295 1 1 15 LEU N N -7.834 -2.122 -0.292 1.00 . A A . 15 LEU N 1 1 3 1296 1 1 15 LEU O O -4.857 -3.045 -1.979 1.00 . A A . 15 LEU O 1 1 3 1297 1 1 16 LYS C C -4.495 0.162 -2.008 1.00 . A A . 16 LYS C 1 1 3 1298 1 1 16 LYS CA C -5.458 -0.504 -2.988 1.00 . A A . 16 LYS CA 1 1 3 1299 1 1 16 LYS CB C -6.315 0.523 -3.747 1.00 . A A . 16 LYS CB 1 1 3 1300 1 1 16 LYS CD C -5.484 2.831 -3.291 1.00 . A A . 16 LYS CD 1 1 3 1301 1 1 16 LYS CE C -4.779 4.053 -3.851 1.00 . A A . 16 LYS CE 1 1 3 1302 1 1 16 LYS CG C -5.554 1.709 -4.309 1.00 . A A . 16 LYS CG 1 1 3 1303 1 1 16 LYS H H -7.259 -1.073 -2.087 1.00 . A A . 16 LYS H 1 1 3 1304 1 1 16 LYS HA H -4.901 -1.110 -3.688 1.00 . A A . 16 LYS HA 1 1 3 1305 1 1 16 LYS HB2 H -6.816 0.027 -4.562 1.00 . A A . 16 LYS HB2 1 1 3 1306 1 1 16 LYS HB3 H -7.065 0.903 -3.067 1.00 . A A . 16 LYS HB3 1 1 3 1307 1 1 16 LYS HD2 H -6.489 3.101 -3.005 1.00 . A A . 16 LYS HD2 1 1 3 1308 1 1 16 LYS HD3 H -4.947 2.474 -2.424 1.00 . A A . 16 LYS HD3 1 1 3 1309 1 1 16 LYS HE2 H -3.762 3.786 -4.097 1.00 . A A . 16 LYS HE2 1 1 3 1310 1 1 16 LYS HE3 H -5.293 4.372 -4.746 1.00 . A A . 16 LYS HE3 1 1 3 1311 1 1 16 LYS HG2 H -4.552 1.397 -4.563 1.00 . A A . 16 LYS HG2 1 1 3 1312 1 1 16 LYS HG3 H -6.060 2.066 -5.195 1.00 . A A . 16 LYS HG3 1 1 3 1313 1 1 16 LYS HZ1 H -4.293 4.880 -1.997 1.00 . A A . 16 LYS HZ1 1 1 3 1314 1 1 16 LYS HZ2 H -5.730 5.478 -2.659 1.00 . A A . 16 LYS HZ2 1 1 3 1315 1 1 16 LYS HZ3 H -4.243 5.986 -3.275 1.00 . A A . 16 LYS HZ3 1 1 3 1316 1 1 16 LYS N N -6.337 -1.364 -2.231 1.00 . A A . 16 LYS N 1 1 3 1317 1 1 16 LYS NZ N -4.760 5.177 -2.879 1.00 . A A . 16 LYS NZ 1 1 3 1318 1 1 16 LYS O O -3.317 0.362 -2.303 1.00 . A A . 16 LYS O 1 1 3 1319 1 1 17 ILE C C -3.192 -0.006 0.720 1.00 . A A . 17 ILE C 1 1 3 1320 1 1 17 ILE CA C -4.238 1.012 0.267 1.00 . A A . 17 ILE CA 1 1 3 1321 1 1 17 ILE CB C -5.174 1.415 1.435 1.00 . A A . 17 ILE CB 1 1 3 1322 1 1 17 ILE CD1 C -6.669 3.300 2.289 1.00 . A A . 17 ILE CD1 1 1 3 1323 1 1 17 ILE CG1 C -5.709 2.834 1.214 1.00 . A A . 17 ILE CG1 1 1 3 1324 1 1 17 ILE CG2 C -4.491 1.292 2.787 1.00 . A A . 17 ILE CG2 1 1 3 1325 1 1 17 ILE H H -5.981 0.341 -0.686 1.00 . A A . 17 ILE H 1 1 3 1326 1 1 17 ILE HA H -3.741 1.892 -0.091 1.00 . A A . 17 ILE HA 1 1 3 1327 1 1 17 ILE HB H -6.008 0.732 1.434 1.00 . A A . 17 ILE HB 1 1 3 1328 1 1 17 ILE HD11 H -7.525 2.641 2.319 1.00 . A A . 17 ILE HD11 1 1 3 1329 1 1 17 ILE HD12 H -6.995 4.305 2.068 1.00 . A A . 17 ILE HD12 1 1 3 1330 1 1 17 ILE HD13 H -6.170 3.287 3.247 1.00 . A A . 17 ILE HD13 1 1 3 1331 1 1 17 ILE HG12 H -4.879 3.524 1.193 1.00 . A A . 17 ILE HG12 1 1 3 1332 1 1 17 ILE HG13 H -6.227 2.871 0.266 1.00 . A A . 17 ILE HG13 1 1 3 1333 1 1 17 ILE HG21 H -5.214 1.468 3.572 1.00 . A A . 17 ILE HG21 1 1 3 1334 1 1 17 ILE HG22 H -3.697 2.018 2.856 1.00 . A A . 17 ILE HG22 1 1 3 1335 1 1 17 ILE HG23 H -4.084 0.298 2.889 1.00 . A A . 17 ILE HG23 1 1 3 1336 1 1 17 ILE N N -5.021 0.475 -0.827 1.00 . A A . 17 ILE N 1 1 3 1337 1 1 17 ILE O O -2.069 0.354 1.080 1.00 . A A . 17 ILE O 1 1 3 1338 1 1 18 SER C C -1.532 -2.383 -0.074 1.00 . A A . 18 SER C 1 1 3 1339 1 1 18 SER CA C -2.643 -2.365 0.967 1.00 . A A . 18 SER CA 1 1 3 1340 1 1 18 SER CB C -3.388 -3.705 0.944 1.00 . A A . 18 SER CB 1 1 3 1341 1 1 18 SER H H -4.505 -1.490 0.481 1.00 . A A . 18 SER H 1 1 3 1342 1 1 18 SER HA H -2.217 -2.206 1.947 1.00 . A A . 18 SER HA 1 1 3 1343 1 1 18 SER HB2 H -4.290 -3.625 1.533 1.00 . A A . 18 SER HB2 1 1 3 1344 1 1 18 SER HB3 H -3.644 -3.946 -0.082 1.00 . A A . 18 SER HB3 1 1 3 1345 1 1 18 SER HG H -1.856 -4.933 0.865 1.00 . A A . 18 SER HG 1 1 3 1346 1 1 18 SER N N -3.568 -1.278 0.686 1.00 . A A . 18 SER N 1 1 3 1347 1 1 18 SER O O -0.357 -2.572 0.245 1.00 . A A . 18 SER O 1 1 3 1348 1 1 18 SER OG O -2.590 -4.753 1.469 1.00 . A A . 18 SER OG 1 1 3 1349 1 1 19 PHE C C 0.050 -1.125 -2.340 1.00 . A A . 19 PHE C 1 1 3 1350 1 1 19 PHE CA C -1.004 -2.221 -2.445 1.00 . A A . 19 PHE CA 1 1 3 1351 1 1 19 PHE CB C -1.779 -2.081 -3.753 1.00 . A A . 19 PHE CB 1 1 3 1352 1 1 19 PHE CD1 C -0.163 -1.433 -5.557 1.00 . A A . 19 PHE CD1 1 1 3 1353 1 1 19 PHE CD2 C -1.010 -3.659 -5.524 1.00 . A A . 19 PHE CD2 1 1 3 1354 1 1 19 PHE CE1 C 0.580 -1.726 -6.683 1.00 . A A . 19 PHE CE1 1 1 3 1355 1 1 19 PHE CE2 C -0.269 -3.962 -6.649 1.00 . A A . 19 PHE CE2 1 1 3 1356 1 1 19 PHE CG C -0.963 -2.396 -4.969 1.00 . A A . 19 PHE CG 1 1 3 1357 1 1 19 PHE CZ C 0.527 -2.994 -7.231 1.00 . A A . 19 PHE CZ 1 1 3 1358 1 1 19 PHE H H -2.866 -1.954 -1.492 1.00 . A A . 19 PHE H 1 1 3 1359 1 1 19 PHE HA H -0.514 -3.182 -2.427 1.00 . A A . 19 PHE HA 1 1 3 1360 1 1 19 PHE HB2 H -2.625 -2.751 -3.739 1.00 . A A . 19 PHE HB2 1 1 3 1361 1 1 19 PHE HB3 H -2.135 -1.064 -3.848 1.00 . A A . 19 PHE HB3 1 1 3 1362 1 1 19 PHE HD1 H -0.119 -0.443 -5.120 1.00 . A A . 19 PHE HD1 1 1 3 1363 1 1 19 PHE HD2 H -1.632 -4.414 -5.061 1.00 . A A . 19 PHE HD2 1 1 3 1364 1 1 19 PHE HE1 H 1.200 -0.966 -7.134 1.00 . A A . 19 PHE HE1 1 1 3 1365 1 1 19 PHE HE2 H -0.314 -4.952 -7.076 1.00 . A A . 19 PHE HE2 1 1 3 1366 1 1 19 PHE HZ H 1.105 -3.228 -8.112 1.00 . A A . 19 PHE HZ 1 1 3 1367 1 1 19 PHE N N -1.923 -2.164 -1.321 1.00 . A A . 19 PHE N 1 1 3 1368 1 1 19 PHE O O 1.247 -1.404 -2.281 1.00 . A A . 19 PHE O 1 1 3 1369 1 1 20 LEU C C 1.201 1.272 -0.852 1.00 . A A . 20 LEU C 1 1 3 1370 1 1 20 LEU CA C 0.509 1.252 -2.207 1.00 . A A . 20 LEU CA 1 1 3 1371 1 1 20 LEU CB C -0.227 2.569 -2.454 1.00 . A A . 20 LEU CB 1 1 3 1372 1 1 20 LEU CD1 C -1.478 1.958 -4.546 1.00 . A A . 20 LEU CD1 1 1 3 1373 1 1 20 LEU CD2 C -0.947 4.355 -4.061 1.00 . A A . 20 LEU CD2 1 1 3 1374 1 1 20 LEU CG C -0.476 2.914 -3.924 1.00 . A A . 20 LEU CG 1 1 3 1375 1 1 20 LEU H H -1.369 0.287 -2.368 1.00 . A A . 20 LEU H 1 1 3 1376 1 1 20 LEU HA H 1.263 1.129 -2.971 1.00 . A A . 20 LEU HA 1 1 3 1377 1 1 20 LEU HB2 H -1.180 2.515 -1.954 1.00 . A A . 20 LEU HB2 1 1 3 1378 1 1 20 LEU HB3 H 0.350 3.367 -2.013 1.00 . A A . 20 LEU HB3 1 1 3 1379 1 1 20 LEU HD11 H -1.138 0.943 -4.399 1.00 . A A . 20 LEU HD11 1 1 3 1380 1 1 20 LEU HD12 H -1.564 2.160 -5.604 1.00 . A A . 20 LEU HD12 1 1 3 1381 1 1 20 LEU HD13 H -2.440 2.087 -4.074 1.00 . A A . 20 LEU HD13 1 1 3 1382 1 1 20 LEU HD21 H -1.152 4.570 -5.100 1.00 . A A . 20 LEU HD21 1 1 3 1383 1 1 20 LEU HD22 H -0.179 5.021 -3.700 1.00 . A A . 20 LEU HD22 1 1 3 1384 1 1 20 LEU HD23 H -1.847 4.497 -3.482 1.00 . A A . 20 LEU HD23 1 1 3 1385 1 1 20 LEU HG H 0.450 2.815 -4.467 1.00 . A A . 20 LEU HG 1 1 3 1386 1 1 20 LEU N N -0.401 0.122 -2.310 1.00 . A A . 20 LEU N 1 1 3 1387 1 1 20 LEU O O 2.307 1.781 -0.724 1.00 . A A . 20 LEU O 1 1 3 1388 1 1 21 GLY C C 2.388 -0.360 1.379 1.00 . A A . 21 GLY C 1 1 3 1389 1 1 21 GLY CA C 1.181 0.553 1.451 1.00 . A A . 21 GLY CA 1 1 3 1390 1 1 21 GLY H H -0.368 0.384 0.018 1.00 . A A . 21 GLY H 1 1 3 1391 1 1 21 GLY HA2 H 1.493 1.524 1.805 1.00 . A A . 21 GLY HA2 1 1 3 1392 1 1 21 GLY HA3 H 0.467 0.136 2.144 1.00 . A A . 21 GLY HA3 1 1 3 1393 1 1 21 GLY N N 0.552 0.701 0.153 1.00 . A A . 21 GLY N 1 1 3 1394 1 1 21 GLY O O 3.361 -0.184 2.117 1.00 . A A . 21 GLY O 1 1 3 1395 1 1 22 CYS C C 4.503 -1.544 -0.603 1.00 . A A . 22 CYS C 1 1 3 1396 1 1 22 CYS CA C 3.424 -2.239 0.228 1.00 . A A . 22 CYS CA 1 1 3 1397 1 1 22 CYS CB C 2.923 -3.496 -0.491 1.00 . A A . 22 CYS CB 1 1 3 1398 1 1 22 CYS H H 1.486 -1.452 -0.026 1.00 . A A . 22 CYS H 1 1 3 1399 1 1 22 CYS HA H 3.847 -2.521 1.181 1.00 . A A . 22 CYS HA 1 1 3 1400 1 1 22 CYS HB2 H 2.127 -3.937 0.090 1.00 . A A . 22 CYS HB2 1 1 3 1401 1 1 22 CYS HB3 H 2.540 -3.217 -1.463 1.00 . A A . 22 CYS HB3 1 1 3 1402 1 1 22 CYS HG H 3.601 -5.949 -0.608 1.00 . A A . 22 CYS HG 1 1 3 1403 1 1 22 CYS N N 2.319 -1.332 0.479 1.00 . A A . 22 CYS N 1 1 3 1404 1 1 22 CYS O O 5.668 -1.930 -0.573 1.00 . A A . 22 CYS O 1 1 3 1405 1 1 22 CYS SG S 4.185 -4.766 -0.736 1.00 . A A . 22 CYS SG 1 1 3 1406 1 1 23 LYS C C 5.716 1.312 -1.168 1.00 . A A . 23 LYS C 1 1 3 1407 1 1 23 LYS CA C 5.087 0.283 -2.085 1.00 . A A . 23 LYS CA 1 1 3 1408 1 1 23 LYS CB C 4.446 0.977 -3.287 1.00 . A A . 23 LYS CB 1 1 3 1409 1 1 23 LYS CD C 3.352 0.766 -5.544 1.00 . A A . 23 LYS CD 1 1 3 1410 1 1 23 LYS CE C 4.459 1.505 -6.284 1.00 . A A . 23 LYS CE 1 1 3 1411 1 1 23 LYS CG C 3.890 0.020 -4.331 1.00 . A A . 23 LYS CG 1 1 3 1412 1 1 23 LYS H H 3.157 -0.300 -1.419 1.00 . A A . 23 LYS H 1 1 3 1413 1 1 23 LYS HA H 5.864 -0.377 -2.426 1.00 . A A . 23 LYS HA 1 1 3 1414 1 1 23 LYS HB2 H 3.637 1.600 -2.937 1.00 . A A . 23 LYS HB2 1 1 3 1415 1 1 23 LYS HB3 H 5.187 1.601 -3.761 1.00 . A A . 23 LYS HB3 1 1 3 1416 1 1 23 LYS HD2 H 2.896 0.057 -6.217 1.00 . A A . 23 LYS HD2 1 1 3 1417 1 1 23 LYS HD3 H 2.612 1.480 -5.215 1.00 . A A . 23 LYS HD3 1 1 3 1418 1 1 23 LYS HE2 H 4.934 2.194 -5.601 1.00 . A A . 23 LYS HE2 1 1 3 1419 1 1 23 LYS HE3 H 5.185 0.783 -6.628 1.00 . A A . 23 LYS HE3 1 1 3 1420 1 1 23 LYS HG2 H 4.678 -0.646 -4.650 1.00 . A A . 23 LYS HG2 1 1 3 1421 1 1 23 LYS HG3 H 3.088 -0.555 -3.888 1.00 . A A . 23 LYS HG3 1 1 3 1422 1 1 23 LYS HZ1 H 3.493 1.620 -8.129 1.00 . A A . 23 LYS HZ1 1 1 3 1423 1 1 23 LYS HZ2 H 4.718 2.765 -7.924 1.00 . A A . 23 LYS HZ2 1 1 3 1424 1 1 23 LYS HZ3 H 3.237 2.964 -7.140 1.00 . A A . 23 LYS HZ3 1 1 3 1425 1 1 23 LYS N N 4.115 -0.517 -1.351 1.00 . A A . 23 LYS N 1 1 3 1426 1 1 23 LYS NZ N 3.942 2.266 -7.450 1.00 . A A . 23 LYS NZ 1 1 3 1427 1 1 23 LYS O O 6.882 1.671 -1.314 1.00 . A A . 23 LYS O 1 1 3 1428 1 1 24 VAL C C 6.140 1.911 1.925 1.00 . A A . 24 VAL C 1 1 3 1429 1 1 24 VAL CA C 5.447 2.691 0.792 1.00 . A A . 24 VAL CA 1 1 3 1430 1 1 24 VAL CB C 4.316 3.621 1.300 1.00 . A A . 24 VAL CB 1 1 3 1431 1 1 24 VAL CG1 C 4.780 4.554 2.401 1.00 . A A . 24 VAL CG1 1 1 3 1432 1 1 24 VAL CG2 C 3.775 4.429 0.134 1.00 . A A . 24 VAL CG2 1 1 3 1433 1 1 24 VAL H H 3.996 1.508 -0.175 1.00 . A A . 24 VAL H 1 1 3 1434 1 1 24 VAL HA H 6.190 3.309 0.302 1.00 . A A . 24 VAL HA 1 1 3 1435 1 1 24 VAL HB H 3.527 3.014 1.683 1.00 . A A . 24 VAL HB 1 1 3 1436 1 1 24 VAL HG11 H 3.928 5.045 2.839 1.00 . A A . 24 VAL HG11 1 1 3 1437 1 1 24 VAL HG12 H 5.447 5.290 1.984 1.00 . A A . 24 VAL HG12 1 1 3 1438 1 1 24 VAL HG13 H 5.300 3.981 3.153 1.00 . A A . 24 VAL HG13 1 1 3 1439 1 1 24 VAL HG21 H 3.034 5.127 0.490 1.00 . A A . 24 VAL HG21 1 1 3 1440 1 1 24 VAL HG22 H 3.328 3.763 -0.587 1.00 . A A . 24 VAL HG22 1 1 3 1441 1 1 24 VAL HG23 H 4.590 4.969 -0.331 1.00 . A A . 24 VAL HG23 1 1 3 1442 1 1 24 VAL N N 4.942 1.773 -0.204 1.00 . A A . 24 VAL N 1 1 3 1443 1 1 24 VAL O O 6.419 2.419 3.011 1.00 . A A . 24 VAL O 1 1 3 1444 1 1 25 VAL C C 8.749 0.048 1.808 1.00 . A A . 25 VAL C 1 1 3 1445 1 1 25 VAL CA C 7.374 -0.090 2.459 1.00 . A A . 25 VAL CA 1 1 3 1446 1 1 25 VAL CB C 6.988 -1.582 2.574 1.00 . A A . 25 VAL CB 1 1 3 1447 1 1 25 VAL CG1 C 7.718 -2.430 1.538 1.00 . A A . 25 VAL CG1 1 1 3 1448 1 1 25 VAL CG2 C 7.244 -2.097 3.979 1.00 . A A . 25 VAL CG2 1 1 3 1449 1 1 25 VAL H H 5.961 0.206 0.917 1.00 . A A . 25 VAL H 1 1 3 1450 1 1 25 VAL HA H 7.400 0.343 3.448 1.00 . A A . 25 VAL HA 1 1 3 1451 1 1 25 VAL HB H 5.932 -1.662 2.378 1.00 . A A . 25 VAL HB 1 1 3 1452 1 1 25 VAL HG11 H 7.479 -3.472 1.686 1.00 . A A . 25 VAL HG11 1 1 3 1453 1 1 25 VAL HG12 H 8.786 -2.281 1.643 1.00 . A A . 25 VAL HG12 1 1 3 1454 1 1 25 VAL HG13 H 7.410 -2.125 0.546 1.00 . A A . 25 VAL HG13 1 1 3 1455 1 1 25 VAL HG21 H 8.288 -1.969 4.227 1.00 . A A . 25 VAL HG21 1 1 3 1456 1 1 25 VAL HG22 H 6.989 -3.146 4.029 1.00 . A A . 25 VAL HG22 1 1 3 1457 1 1 25 VAL HG23 H 6.635 -1.545 4.679 1.00 . A A . 25 VAL HG23 1 1 3 1458 1 1 25 VAL N N 6.417 0.650 1.659 1.00 . A A . 25 VAL N 1 1 3 1459 1 1 25 VAL O O 9.788 0.017 2.467 1.00 . A A . 25 VAL O 1 1 3 1460 1 1 26 VAL C C 10.651 1.570 -0.195 1.00 . A A . 26 VAL C 1 1 3 1461 1 1 26 VAL CA C 9.902 0.269 -0.344 1.00 . A A . 26 VAL CA 1 1 3 1462 1 1 26 VAL CB C 9.516 0.107 -1.819 1.00 . A A . 26 VAL CB 1 1 3 1463 1 1 26 VAL CG1 C 10.746 0.131 -2.710 1.00 . A A . 26 VAL CG1 1 1 3 1464 1 1 26 VAL CG2 C 8.722 -1.172 -2.030 1.00 . A A . 26 VAL CG2 1 1 3 1465 1 1 26 VAL H H 7.846 0.392 0.064 1.00 . A A . 26 VAL H 1 1 3 1466 1 1 26 VAL HA H 10.535 -0.540 -0.059 1.00 . A A . 26 VAL HA 1 1 3 1467 1 1 26 VAL HB H 8.883 0.948 -2.082 1.00 . A A . 26 VAL HB 1 1 3 1468 1 1 26 VAL HG11 H 11.396 -0.689 -2.448 1.00 . A A . 26 VAL HG11 1 1 3 1469 1 1 26 VAL HG12 H 11.270 1.065 -2.572 1.00 . A A . 26 VAL HG12 1 1 3 1470 1 1 26 VAL HG13 H 10.442 0.037 -3.743 1.00 . A A . 26 VAL HG13 1 1 3 1471 1 1 26 VAL HG21 H 7.818 -1.138 -1.442 1.00 . A A . 26 VAL HG21 1 1 3 1472 1 1 26 VAL HG22 H 9.318 -2.022 -1.728 1.00 . A A . 26 VAL HG22 1 1 3 1473 1 1 26 VAL HG23 H 8.466 -1.268 -3.076 1.00 . A A . 26 VAL HG23 1 1 3 1474 1 1 26 VAL N N 8.715 0.249 0.492 1.00 . A A . 26 VAL N 1 1 3 1475 1 1 26 VAL O O 11.863 1.592 0.017 1.00 . A A . 26 VAL O 1 1 3 1476 1 1 27 LEU C C 11.131 4.227 1.140 1.00 . A A . 27 LEU C 1 1 3 1477 1 1 27 LEU CA C 10.471 3.982 -0.228 1.00 . A A . 27 LEU CA 1 1 3 1478 1 1 27 LEU CB C 9.405 5.039 -0.593 1.00 . A A . 27 LEU CB 1 1 3 1479 1 1 27 LEU CD1 C 7.043 5.749 -0.256 1.00 . A A . 27 LEU CD1 1 1 3 1480 1 1 27 LEU CD2 C 8.112 4.298 1.444 1.00 . A A . 27 LEU CD2 1 1 3 1481 1 1 27 LEU CG C 8.341 5.406 0.447 1.00 . A A . 27 LEU CG 1 1 3 1482 1 1 27 LEU H H 8.957 2.539 -0.501 1.00 . A A . 27 LEU H 1 1 3 1483 1 1 27 LEU HA H 11.241 4.025 -0.971 1.00 . A A . 27 LEU HA 1 1 3 1484 1 1 27 LEU HB2 H 9.919 5.947 -0.862 1.00 . A A . 27 LEU HB2 1 1 3 1485 1 1 27 LEU HB3 H 8.885 4.680 -1.470 1.00 . A A . 27 LEU HB3 1 1 3 1486 1 1 27 LEU HD11 H 6.713 4.889 -0.823 1.00 . A A . 27 LEU HD11 1 1 3 1487 1 1 27 LEU HD12 H 7.200 6.584 -0.921 1.00 . A A . 27 LEU HD12 1 1 3 1488 1 1 27 LEU HD13 H 6.292 6.002 0.477 1.00 . A A . 27 LEU HD13 1 1 3 1489 1 1 27 LEU HD21 H 8.949 4.252 2.125 1.00 . A A . 27 LEU HD21 1 1 3 1490 1 1 27 LEU HD22 H 8.033 3.353 0.916 1.00 . A A . 27 LEU HD22 1 1 3 1491 1 1 27 LEU HD23 H 7.204 4.480 1.996 1.00 . A A . 27 LEU HD23 1 1 3 1492 1 1 27 LEU HG H 8.664 6.283 0.989 1.00 . A A . 27 LEU HG 1 1 3 1493 1 1 27 LEU N N 9.911 2.648 -0.316 1.00 . A A . 27 LEU N 1 1 3 1494 1 1 27 LEU O O 11.901 5.171 1.310 1.00 . A A . 27 LEU O 1 1 3 1495 1 1 28 LEU C C 12.863 2.824 3.297 1.00 . A A . 28 LEU C 1 1 3 1496 1 1 28 LEU CA C 11.459 3.394 3.418 1.00 . A A . 28 LEU CA 1 1 3 1497 1 1 28 LEU CB C 10.674 2.563 4.435 1.00 . A A . 28 LEU CB 1 1 3 1498 1 1 28 LEU CD1 C 8.550 2.018 5.620 1.00 . A A . 28 LEU CD1 1 1 3 1499 1 1 28 LEU CD2 C 9.156 4.407 5.208 1.00 . A A . 28 LEU CD2 1 1 3 1500 1 1 28 LEU CG C 9.225 2.986 4.665 1.00 . A A . 28 LEU CG 1 1 3 1501 1 1 28 LEU H H 10.087 2.716 1.956 1.00 . A A . 28 LEU H 1 1 3 1502 1 1 28 LEU HA H 11.517 4.417 3.757 1.00 . A A . 28 LEU HA 1 1 3 1503 1 1 28 LEU HB2 H 10.675 1.536 4.100 1.00 . A A . 28 LEU HB2 1 1 3 1504 1 1 28 LEU HB3 H 11.193 2.612 5.381 1.00 . A A . 28 LEU HB3 1 1 3 1505 1 1 28 LEU HD11 H 7.515 2.293 5.737 1.00 . A A . 28 LEU HD11 1 1 3 1506 1 1 28 LEU HD12 H 9.043 2.056 6.581 1.00 . A A . 28 LEU HD12 1 1 3 1507 1 1 28 LEU HD13 H 8.614 1.016 5.223 1.00 . A A . 28 LEU HD13 1 1 3 1508 1 1 28 LEU HD21 H 9.699 4.463 6.141 1.00 . A A . 28 LEU HD21 1 1 3 1509 1 1 28 LEU HD22 H 8.124 4.678 5.377 1.00 . A A . 28 LEU HD22 1 1 3 1510 1 1 28 LEU HD23 H 9.595 5.087 4.495 1.00 . A A . 28 LEU HD23 1 1 3 1511 1 1 28 LEU HG H 8.693 2.955 3.726 1.00 . A A . 28 LEU HG 1 1 3 1512 1 1 28 LEU N N 10.802 3.372 2.118 1.00 . A A . 28 LEU N 1 1 3 1513 1 1 28 LEU O O 13.819 3.362 3.856 1.00 . A A . 28 LEU O 1 1 3 1514 1 1 29 LYS C C 15.150 1.951 1.488 1.00 . A A . 29 LYS C 1 1 3 1515 1 1 29 LYS CA C 14.252 1.065 2.342 1.00 . A A . 29 LYS CA 1 1 3 1516 1 1 29 LYS CB C 14.052 -0.283 1.635 1.00 . A A . 29 LYS CB 1 1 3 1517 1 1 29 LYS CD C 13.171 -1.507 3.663 1.00 . A A . 29 LYS CD 1 1 3 1518 1 1 29 LYS CE C 12.053 -2.392 4.197 1.00 . A A . 29 LYS CE 1 1 3 1519 1 1 29 LYS CG C 12.931 -1.142 2.209 1.00 . A A . 29 LYS CG 1 1 3 1520 1 1 29 LYS H H 12.165 1.348 2.142 1.00 . A A . 29 LYS H 1 1 3 1521 1 1 29 LYS HA H 14.717 0.902 3.301 1.00 . A A . 29 LYS HA 1 1 3 1522 1 1 29 LYS HB2 H 13.831 -0.096 0.597 1.00 . A A . 29 LYS HB2 1 1 3 1523 1 1 29 LYS HB3 H 14.972 -0.845 1.700 1.00 . A A . 29 LYS HB3 1 1 3 1524 1 1 29 LYS HD2 H 14.109 -2.038 3.743 1.00 . A A . 29 LYS HD2 1 1 3 1525 1 1 29 LYS HD3 H 13.214 -0.602 4.251 1.00 . A A . 29 LYS HD3 1 1 3 1526 1 1 29 LYS HE2 H 11.121 -1.853 4.121 1.00 . A A . 29 LYS HE2 1 1 3 1527 1 1 29 LYS HE3 H 12.000 -3.286 3.592 1.00 . A A . 29 LYS HE3 1 1 3 1528 1 1 29 LYS HG2 H 12.004 -0.596 2.139 1.00 . A A . 29 LYS HG2 1 1 3 1529 1 1 29 LYS HG3 H 12.859 -2.049 1.627 1.00 . A A . 29 LYS HG3 1 1 3 1530 1 1 29 LYS HZ1 H 13.162 -3.308 5.709 1.00 . A A . 29 LYS HZ1 1 1 3 1531 1 1 29 LYS HZ2 H 11.490 -3.379 5.947 1.00 . A A . 29 LYS HZ2 1 1 3 1532 1 1 29 LYS HZ3 H 12.319 -1.931 6.212 1.00 . A A . 29 LYS HZ3 1 1 3 1533 1 1 29 LYS N N 12.971 1.725 2.560 1.00 . A A . 29 LYS N 1 1 3 1534 1 1 29 LYS NZ N 12.271 -2.778 5.613 1.00 . A A . 29 LYS NZ 1 1 3 1535 1 1 29 LYS O O 16.351 2.071 1.737 1.00 . A A . 29 LYS O 1 1 3 1536 1 1 30 ARG C C 14.506 4.750 -0.630 1.00 . A A . 30 ARG C 1 1 3 1537 1 1 30 ARG CA C 15.267 3.450 -0.432 1.00 . A A . 30 ARG CA 1 1 3 1538 1 1 30 ARG CB C 15.484 2.760 -1.783 1.00 . A A . 30 ARG CB 1 1 3 1539 1 1 30 ARG CD C 16.668 0.981 -3.102 1.00 . A A . 30 ARG CD 1 1 3 1540 1 1 30 ARG CG C 16.571 1.699 -1.765 1.00 . A A . 30 ARG CG 1 1 3 1541 1 1 30 ARG CZ C 15.227 -0.432 -4.533 1.00 . A A . 30 ARG CZ 1 1 3 1542 1 1 30 ARG H H 13.575 2.455 0.361 1.00 . A A . 30 ARG H 1 1 3 1543 1 1 30 ARG HA H 16.228 3.672 0.010 1.00 . A A . 30 ARG HA 1 1 3 1544 1 1 30 ARG HB2 H 14.559 2.293 -2.086 1.00 . A A . 30 ARG HB2 1 1 3 1545 1 1 30 ARG HB3 H 15.754 3.508 -2.513 1.00 . A A . 30 ARG HB3 1 1 3 1546 1 1 30 ARG HD2 H 16.770 1.718 -3.885 1.00 . A A . 30 ARG HD2 1 1 3 1547 1 1 30 ARG HD3 H 17.539 0.343 -3.092 1.00 . A A . 30 ARG HD3 1 1 3 1548 1 1 30 ARG HE H 14.843 0.054 -2.630 1.00 . A A . 30 ARG HE 1 1 3 1549 1 1 30 ARG HG2 H 17.517 2.171 -1.554 1.00 . A A . 30 ARG HG2 1 1 3 1550 1 1 30 ARG HG3 H 16.344 0.977 -0.993 1.00 . A A . 30 ARG HG3 1 1 3 1551 1 1 30 ARG HH11 H 16.895 0.251 -5.463 1.00 . A A . 30 ARG HH11 1 1 3 1552 1 1 30 ARG HH12 H 15.870 -0.757 -6.429 1.00 . A A . 30 ARG HH12 1 1 3 1553 1 1 30 ARG HH21 H 13.498 -1.274 -3.891 1.00 . A A . 30 ARG HH21 1 1 3 1554 1 1 30 ARG HH22 H 13.927 -1.620 -5.536 1.00 . A A . 30 ARG HH22 1 1 3 1555 1 1 30 ARG N N 14.546 2.576 0.483 1.00 . A A . 30 ARG N 1 1 3 1556 1 1 30 ARG NE N 15.484 0.166 -3.369 1.00 . A A . 30 ARG NE 1 1 3 1557 1 1 30 ARG NH1 N 16.063 -0.301 -5.556 1.00 . A A . 30 ARG NH1 1 1 3 1558 1 1 30 ARG NH2 N 14.131 -1.167 -4.663 1.00 . A A . 30 ARG NH2 1 1 3 1559 1 1 30 ARG O O 13.633 4.805 -1.523 1.00 . A A . 30 ARG O 1 1 3 1560 1 1 30 ARG OXT O 14.775 5.712 0.112 1.00 . A A . 30 ARG OXT 1 1 4 1561 1 1 1 MET C C -21.935 0.548 12.943 1.00 . A A . 1 MET C 1 1 4 1562 1 1 1 MET CA C -20.594 -0.169 12.808 1.00 . A A . 1 MET CA 1 1 4 1563 1 1 1 MET CB C -20.020 -0.464 14.200 1.00 . A A . 1 MET CB 1 1 4 1564 1 1 1 MET CE C -18.678 2.007 17.290 1.00 . A A . 1 MET CE 1 1 4 1565 1 1 1 MET CG C -19.663 0.779 15.003 1.00 . A A . 1 MET CG 1 1 4 1566 1 1 1 MET H1 H -19.427 1.527 12.453 1.00 . A A . 1 MET H1 1 1 4 1567 1 1 1 MET H2 H -20.038 0.807 11.054 1.00 . A A . 1 MET H2 1 1 4 1568 1 1 1 MET H3 H -18.749 0.092 11.875 1.00 . A A . 1 MET H3 1 1 4 1569 1 1 1 MET HA H -20.763 -1.105 12.297 1.00 . A A . 1 MET HA 1 1 4 1570 1 1 1 MET HB2 H -20.749 -1.029 14.762 1.00 . A A . 1 MET HB2 1 1 4 1571 1 1 1 MET HB3 H -19.127 -1.061 14.088 1.00 . A A . 1 MET HB3 1 1 4 1572 1 1 1 MET HE1 H -17.839 2.346 16.699 1.00 . A A . 1 MET HE1 1 1 4 1573 1 1 1 MET HE2 H -18.385 1.936 18.326 1.00 . A A . 1 MET HE2 1 1 4 1574 1 1 1 MET HE3 H -19.493 2.710 17.197 1.00 . A A . 1 MET HE3 1 1 4 1575 1 1 1 MET HG2 H -18.833 1.274 14.526 1.00 . A A . 1 MET HG2 1 1 4 1576 1 1 1 MET HG3 H -20.517 1.441 15.012 1.00 . A A . 1 MET HG3 1 1 4 1577 1 1 1 MET N N -19.636 0.620 11.994 1.00 . A A . 1 MET N 1 1 4 1578 1 1 1 MET O O -22.974 -0.093 13.083 1.00 . A A . 1 MET O 1 1 4 1579 1 1 1 MET SD S -19.205 0.398 16.705 1.00 . A A . 1 MET SD 1 1 4 1580 1 1 2 ALA C C -23.350 3.544 11.817 1.00 . A A . 2 ALA C 1 1 4 1581 1 1 2 ALA CA C -23.128 2.660 13.037 1.00 . A A . 2 ALA CA 1 1 4 1582 1 1 2 ALA CB C -23.064 3.501 14.300 1.00 . A A . 2 ALA CB 1 1 4 1583 1 1 2 ALA H H -21.059 2.334 12.759 1.00 . A A . 2 ALA H 1 1 4 1584 1 1 2 ALA HA H -23.959 1.975 13.131 1.00 . A A . 2 ALA HA 1 1 4 1585 1 1 2 ALA HB1 H -23.988 4.049 14.416 1.00 . A A . 2 ALA HB1 1 1 4 1586 1 1 2 ALA HB2 H -22.240 4.197 14.228 1.00 . A A . 2 ALA HB2 1 1 4 1587 1 1 2 ALA HB3 H -22.918 2.858 15.155 1.00 . A A . 2 ALA HB3 1 1 4 1588 1 1 2 ALA N N -21.911 1.872 12.893 1.00 . A A . 2 ALA N 1 1 4 1589 1 1 2 ALA O O -24.106 4.516 11.862 1.00 . A A . 2 ALA O 1 1 4 1590 1 1 3 THR C C -24.045 3.527 8.725 1.00 . A A . 3 THR C 1 1 4 1591 1 1 3 THR CA C -22.801 3.948 9.497 1.00 . A A . 3 THR CA 1 1 4 1592 1 1 3 THR CB C -21.553 3.737 8.621 1.00 . A A . 3 THR CB 1 1 4 1593 1 1 3 THR CG2 C -21.545 4.698 7.442 1.00 . A A . 3 THR CG2 1 1 4 1594 1 1 3 THR H H -22.123 2.398 10.747 1.00 . A A . 3 THR H 1 1 4 1595 1 1 3 THR HA H -22.871 4.996 9.746 1.00 . A A . 3 THR HA 1 1 4 1596 1 1 3 THR HB H -21.560 2.725 8.246 1.00 . A A . 3 THR HB 1 1 4 1597 1 1 3 THR HG1 H -20.127 4.870 9.382 1.00 . A A . 3 THR HG1 1 1 4 1598 1 1 3 THR HG21 H -20.652 4.544 6.858 1.00 . A A . 3 THR HG21 1 1 4 1599 1 1 3 THR HG22 H -21.567 5.714 7.806 1.00 . A A . 3 THR HG22 1 1 4 1600 1 1 3 THR HG23 H -22.414 4.518 6.824 1.00 . A A . 3 THR HG23 1 1 4 1601 1 1 3 THR N N -22.693 3.194 10.728 1.00 . A A . 3 THR N 1 1 4 1602 1 1 3 THR O O -24.316 2.334 8.577 1.00 . A A . 3 THR O 1 1 4 1603 1 1 3 THR OG1 O -20.376 3.938 9.412 1.00 . A A . 3 THR OG1 1 1 4 1604 1 1 4 LYS C C -25.609 3.835 6.040 1.00 . A A . 4 LYS C 1 1 4 1605 1 1 4 LYS CA C -25.998 4.219 7.464 1.00 . A A . 4 LYS CA 1 1 4 1606 1 1 4 LYS CB C -26.934 5.433 7.448 1.00 . A A . 4 LYS CB 1 1 4 1607 1 1 4 LYS CD C -28.309 7.084 8.770 1.00 . A A . 4 LYS CD 1 1 4 1608 1 1 4 LYS CE C -29.619 6.809 8.056 1.00 . A A . 4 LYS CE 1 1 4 1609 1 1 4 LYS CG C -27.428 5.843 8.827 1.00 . A A . 4 LYS CG 1 1 4 1610 1 1 4 LYS H H -24.575 5.433 8.454 1.00 . A A . 4 LYS H 1 1 4 1611 1 1 4 LYS HA H -26.510 3.386 7.921 1.00 . A A . 4 LYS HA 1 1 4 1612 1 1 4 LYS HB2 H -26.408 6.270 7.014 1.00 . A A . 4 LYS HB2 1 1 4 1613 1 1 4 LYS HB3 H -27.791 5.200 6.835 1.00 . A A . 4 LYS HB3 1 1 4 1614 1 1 4 LYS HD2 H -28.523 7.408 9.777 1.00 . A A . 4 LYS HD2 1 1 4 1615 1 1 4 LYS HD3 H -27.778 7.864 8.243 1.00 . A A . 4 LYS HD3 1 1 4 1616 1 1 4 LYS HE2 H -29.403 6.518 7.038 1.00 . A A . 4 LYS HE2 1 1 4 1617 1 1 4 LYS HE3 H -30.124 5.999 8.559 1.00 . A A . 4 LYS HE3 1 1 4 1618 1 1 4 LYS HG2 H -28.000 5.031 9.250 1.00 . A A . 4 LYS HG2 1 1 4 1619 1 1 4 LYS HG3 H -26.580 6.048 9.456 1.00 . A A . 4 LYS HG3 1 1 4 1620 1 1 4 LYS HZ1 H -30.025 8.804 7.583 1.00 . A A . 4 LYS HZ1 1 1 4 1621 1 1 4 LYS HZ2 H -30.759 8.275 9.011 1.00 . A A . 4 LYS HZ2 1 1 4 1622 1 1 4 LYS HZ3 H -31.379 7.792 7.514 1.00 . A A . 4 LYS HZ3 1 1 4 1623 1 1 4 LYS N N -24.810 4.500 8.256 1.00 . A A . 4 LYS N 1 1 4 1624 1 1 4 LYS NZ N -30.506 8.001 8.041 1.00 . A A . 4 LYS NZ 1 1 4 1625 1 1 4 LYS O O -25.748 4.634 5.114 1.00 . A A . 4 LYS O 1 1 4 1626 1 1 5 HIS C C -23.608 2.968 3.967 1.00 . A A . 5 HIS C 1 1 4 1627 1 1 5 HIS CA C -24.697 2.087 4.581 1.00 . A A . 5 HIS CA 1 1 4 1628 1 1 5 HIS CB C -25.910 1.977 3.641 1.00 . A A . 5 HIS CB 1 1 4 1629 1 1 5 HIS CD2 C -25.438 1.953 1.086 1.00 . A A . 5 HIS CD2 1 1 4 1630 1 1 5 HIS CE1 C -25.186 -0.206 0.825 1.00 . A A . 5 HIS CE1 1 1 4 1631 1 1 5 HIS CG C -25.605 1.376 2.300 1.00 . A A . 5 HIS CG 1 1 4 1632 1 1 5 HIS H H -25.004 2.035 6.676 1.00 . A A . 5 HIS H 1 1 4 1633 1 1 5 HIS HA H -24.289 1.100 4.739 1.00 . A A . 5 HIS HA 1 1 4 1634 1 1 5 HIS HB2 H -26.663 1.364 4.113 1.00 . A A . 5 HIS HB2 1 1 4 1635 1 1 5 HIS HB3 H -26.314 2.966 3.478 1.00 . A A . 5 HIS HB3 1 1 4 1636 1 1 5 HIS HD1 H -25.505 -0.668 2.795 1.00 . A A . 5 HIS HD1 1 1 4 1637 1 1 5 HIS HD2 H -25.501 3.011 0.866 1.00 . A A . 5 HIS HD2 1 1 4 1638 1 1 5 HIS HE1 H -25.020 -1.174 0.379 1.00 . A A . 5 HIS HE1 1 1 4 1639 1 1 5 HIS HE2 H -24.877 1.079 -0.738 1.00 . A A . 5 HIS HE2 1 1 4 1640 1 1 5 HIS N N -25.107 2.610 5.883 1.00 . A A . 5 HIS N 1 1 4 1641 1 1 5 HIS ND1 N -25.440 0.024 2.100 1.00 . A A . 5 HIS ND1 1 1 4 1642 1 1 5 HIS NE2 N -25.178 0.949 0.188 1.00 . A A . 5 HIS NE2 1 1 4 1643 1 1 5 HIS O O -23.861 3.740 3.043 1.00 . A A . 5 HIS O 1 1 4 1644 1 1 6 GLY C C -19.940 3.078 4.333 1.00 . A A . 6 GLY C 1 1 4 1645 1 1 6 GLY CA C -21.299 3.653 3.986 1.00 . A A . 6 GLY CA 1 1 4 1646 1 1 6 GLY H H -22.244 2.214 5.221 1.00 . A A . 6 GLY H 1 1 4 1647 1 1 6 GLY HA2 H -21.383 3.720 2.913 1.00 . A A . 6 GLY HA2 1 1 4 1648 1 1 6 GLY HA3 H -21.374 4.645 4.406 1.00 . A A . 6 GLY HA3 1 1 4 1649 1 1 6 GLY N N -22.395 2.849 4.488 1.00 . A A . 6 GLY N 1 1 4 1650 1 1 6 GLY O O -18.920 3.747 4.169 1.00 . A A . 6 GLY O 1 1 4 1651 1 1 7 LYS C C -18.496 -0.116 4.402 1.00 . A A . 7 LYS C 1 1 4 1652 1 1 7 LYS CA C -18.671 1.187 5.171 1.00 . A A . 7 LYS CA 1 1 4 1653 1 1 7 LYS CB C -18.606 0.914 6.676 1.00 . A A . 7 LYS CB 1 1 4 1654 1 1 7 LYS CD C -17.193 2.955 7.169 1.00 . A A . 7 LYS CD 1 1 4 1655 1 1 7 LYS CE C -15.934 2.122 7.313 1.00 . A A . 7 LYS CE 1 1 4 1656 1 1 7 LYS CG C -18.439 2.164 7.533 1.00 . A A . 7 LYS CG 1 1 4 1657 1 1 7 LYS H H -20.763 1.349 4.922 1.00 . A A . 7 LYS H 1 1 4 1658 1 1 7 LYS HA H -17.867 1.852 4.902 1.00 . A A . 7 LYS HA 1 1 4 1659 1 1 7 LYS HB2 H -19.520 0.424 6.978 1.00 . A A . 7 LYS HB2 1 1 4 1660 1 1 7 LYS HB3 H -17.778 0.255 6.872 1.00 . A A . 7 LYS HB3 1 1 4 1661 1 1 7 LYS HD2 H -17.275 3.287 6.145 1.00 . A A . 7 LYS HD2 1 1 4 1662 1 1 7 LYS HD3 H -17.122 3.813 7.821 1.00 . A A . 7 LYS HD3 1 1 4 1663 1 1 7 LYS HE2 H -16.065 1.213 6.751 1.00 . A A . 7 LYS HE2 1 1 4 1664 1 1 7 LYS HE3 H -15.103 2.678 6.911 1.00 . A A . 7 LYS HE3 1 1 4 1665 1 1 7 LYS HG2 H -19.293 2.795 7.389 1.00 . A A . 7 LYS HG2 1 1 4 1666 1 1 7 LYS HG3 H -18.378 1.871 8.571 1.00 . A A . 7 LYS HG3 1 1 4 1667 1 1 7 LYS HZ1 H -16.414 1.190 9.120 1.00 . A A . 7 LYS HZ1 1 1 4 1668 1 1 7 LYS HZ2 H -15.558 2.636 9.304 1.00 . A A . 7 LYS HZ2 1 1 4 1669 1 1 7 LYS HZ3 H -14.755 1.240 8.793 1.00 . A A . 7 LYS HZ3 1 1 4 1670 1 1 7 LYS N N -19.920 1.840 4.812 1.00 . A A . 7 LYS N 1 1 4 1671 1 1 7 LYS NZ N -15.646 1.773 8.731 1.00 . A A . 7 LYS NZ 1 1 4 1672 1 1 7 LYS O O -18.457 -1.200 4.988 1.00 . A A . 7 LYS O 1 1 4 1673 1 1 8 ASN C C -17.181 -0.894 1.136 1.00 . A A . 8 ASN C 1 1 4 1674 1 1 8 ASN CA C -18.169 -1.187 2.257 1.00 . A A . 8 ASN CA 1 1 4 1675 1 1 8 ASN CB C -19.496 -1.664 1.670 1.00 . A A . 8 ASN CB 1 1 4 1676 1 1 8 ASN CG C -19.348 -2.914 0.824 1.00 . A A . 8 ASN CG 1 1 4 1677 1 1 8 ASN H H -18.447 0.874 2.671 1.00 . A A . 8 ASN H 1 1 4 1678 1 1 8 ASN HA H -17.763 -1.967 2.882 1.00 . A A . 8 ASN HA 1 1 4 1679 1 1 8 ASN HB2 H -20.182 -1.878 2.475 1.00 . A A . 8 ASN HB2 1 1 4 1680 1 1 8 ASN HB3 H -19.910 -0.880 1.052 1.00 . A A . 8 ASN HB3 1 1 4 1681 1 1 8 ASN HD21 H -20.090 -3.821 -0.776 1.00 . A A . 8 ASN HD21 1 1 4 1682 1 1 8 ASN HD22 H -20.812 -2.303 -0.367 1.00 . A A . 8 ASN HD22 1 1 4 1683 1 1 8 ASN N N -18.380 -0.012 3.090 1.00 . A A . 8 ASN N 1 1 4 1684 1 1 8 ASN ND2 N -20.164 -3.025 -0.208 1.00 . A A . 8 ASN ND2 1 1 4 1685 1 1 8 ASN O O -16.199 -1.614 0.953 1.00 . A A . 8 ASN O 1 1 4 1686 1 1 8 ASN OD1 O -18.505 -3.773 1.095 1.00 . A A . 8 ASN OD1 1 1 4 1687 1 1 9 SER C C -15.227 0.942 -0.430 1.00 . A A . 9 SER C 1 1 4 1688 1 1 9 SER CA C -16.650 0.522 -0.775 1.00 . A A . 9 SER CA 1 1 4 1689 1 1 9 SER CB C -17.361 1.625 -1.573 1.00 . A A . 9 SER CB 1 1 4 1690 1 1 9 SER H H -18.158 0.785 0.681 1.00 . A A . 9 SER H 1 1 4 1691 1 1 9 SER HA H -16.593 -0.359 -1.380 1.00 . A A . 9 SER HA 1 1 4 1692 1 1 9 SER HB2 H -18.401 1.364 -1.691 1.00 . A A . 9 SER HB2 1 1 4 1693 1 1 9 SER HB3 H -17.285 2.558 -1.035 1.00 . A A . 9 SER HB3 1 1 4 1694 1 1 9 SER HG H -16.974 1.014 -3.396 1.00 . A A . 9 SER HG 1 1 4 1695 1 1 9 SER N N -17.426 0.190 0.413 1.00 . A A . 9 SER N 1 1 4 1696 1 1 9 SER O O -14.370 1.029 -1.312 1.00 . A A . 9 SER O 1 1 4 1697 1 1 9 SER OG O -16.785 1.792 -2.859 1.00 . A A . 9 SER OG 1 1 4 1698 1 1 10 TRP C C -12.651 0.384 0.990 1.00 . A A . 10 TRP C 1 1 4 1699 1 1 10 TRP CA C -13.608 1.525 1.257 1.00 . A A . 10 TRP CA 1 1 4 1700 1 1 10 TRP CB C -13.510 1.850 2.734 1.00 . A A . 10 TRP CB 1 1 4 1701 1 1 10 TRP CD1 C -15.308 0.555 3.992 1.00 . A A . 10 TRP CD1 1 1 4 1702 1 1 10 TRP CD2 C -13.240 -0.192 4.203 1.00 . A A . 10 TRP CD2 1 1 4 1703 1 1 10 TRP CE2 C -14.059 -0.994 4.995 1.00 . A A . 10 TRP CE2 1 1 4 1704 1 1 10 TRP CE3 C -11.892 -0.443 4.135 1.00 . A A . 10 TRP CE3 1 1 4 1705 1 1 10 TRP CG C -14.031 0.786 3.609 1.00 . A A . 10 TRP CG 1 1 4 1706 1 1 10 TRP CH2 C -12.198 -2.270 5.653 1.00 . A A . 10 TRP CH2 1 1 4 1707 1 1 10 TRP CZ2 C -13.546 -2.049 5.734 1.00 . A A . 10 TRP CZ2 1 1 4 1708 1 1 10 TRP CZ3 C -11.381 -1.472 4.849 1.00 . A A . 10 TRP CZ3 1 1 4 1709 1 1 10 TRP H H -15.676 1.145 1.508 1.00 . A A . 10 TRP H 1 1 4 1710 1 1 10 TRP HA H -13.295 2.386 0.687 1.00 . A A . 10 TRP HA 1 1 4 1711 1 1 10 TRP HB2 H -12.467 1.978 2.981 1.00 . A A . 10 TRP HB2 1 1 4 1712 1 1 10 TRP HB3 H -14.012 2.743 2.961 1.00 . A A . 10 TRP HB3 1 1 4 1713 1 1 10 TRP HD1 H -16.153 1.140 3.662 1.00 . A A . 10 TRP HD1 1 1 4 1714 1 1 10 TRP HE1 H -16.140 -0.886 5.294 1.00 . A A . 10 TRP HE1 1 1 4 1715 1 1 10 TRP HE3 H -11.254 0.147 3.493 1.00 . A A . 10 TRP HE3 1 1 4 1716 1 1 10 TRP HH2 H -11.747 -3.075 6.202 1.00 . A A . 10 TRP HH2 1 1 4 1717 1 1 10 TRP HZ2 H -14.165 -2.666 6.352 1.00 . A A . 10 TRP HZ2 1 1 4 1718 1 1 10 TRP HZ3 H -10.334 -1.656 4.805 1.00 . A A . 10 TRP HZ3 1 1 4 1719 1 1 10 TRP N N -14.959 1.185 0.845 1.00 . A A . 10 TRP N 1 1 4 1720 1 1 10 TRP NE1 N -15.340 -0.520 4.855 1.00 . A A . 10 TRP NE1 1 1 4 1721 1 1 10 TRP O O -11.499 0.608 0.741 1.00 . A A . 10 TRP O 1 1 4 1722 1 1 11 LYS C C -11.554 -1.937 -0.460 1.00 . A A . 11 LYS C 1 1 4 1723 1 1 11 LYS CA C -12.231 -1.982 0.900 1.00 . A A . 11 LYS CA 1 1 4 1724 1 1 11 LYS CB C -13.006 -3.264 1.047 1.00 . A A . 11 LYS CB 1 1 4 1725 1 1 11 LYS CD C -14.075 -4.922 2.612 1.00 . A A . 11 LYS CD 1 1 4 1726 1 1 11 LYS CE C -15.527 -4.513 2.433 1.00 . A A . 11 LYS CE 1 1 4 1727 1 1 11 LYS CG C -13.137 -3.737 2.484 1.00 . A A . 11 LYS CG 1 1 4 1728 1 1 11 LYS H H -14.071 -0.990 1.255 1.00 . A A . 11 LYS H 1 1 4 1729 1 1 11 LYS HA H -11.471 -1.937 1.672 1.00 . A A . 11 LYS HA 1 1 4 1730 1 1 11 LYS HB2 H -13.996 -3.127 0.638 1.00 . A A . 11 LYS HB2 1 1 4 1731 1 1 11 LYS HB3 H -12.495 -4.007 0.487 1.00 . A A . 11 LYS HB3 1 1 4 1732 1 1 11 LYS HD2 H -13.822 -5.653 1.858 1.00 . A A . 11 LYS HD2 1 1 4 1733 1 1 11 LYS HD3 H -13.953 -5.356 3.592 1.00 . A A . 11 LYS HD3 1 1 4 1734 1 1 11 LYS HE2 H -15.758 -3.736 3.144 1.00 . A A . 11 LYS HE2 1 1 4 1735 1 1 11 LYS HE3 H -15.660 -4.134 1.431 1.00 . A A . 11 LYS HE3 1 1 4 1736 1 1 11 LYS HG2 H -12.162 -4.023 2.846 1.00 . A A . 11 LYS HG2 1 1 4 1737 1 1 11 LYS HG3 H -13.518 -2.922 3.083 1.00 . A A . 11 LYS HG3 1 1 4 1738 1 1 11 LYS HZ1 H -16.327 -6.365 1.897 1.00 . A A . 11 LYS HZ1 1 1 4 1739 1 1 11 LYS HZ2 H -17.439 -5.323 2.630 1.00 . A A . 11 LYS HZ2 1 1 4 1740 1 1 11 LYS HZ3 H -16.266 -6.101 3.567 1.00 . A A . 11 LYS HZ3 1 1 4 1741 1 1 11 LYS N N -13.118 -0.843 1.074 1.00 . A A . 11 LYS N 1 1 4 1742 1 1 11 LYS NZ N -16.453 -5.655 2.644 1.00 . A A . 11 LYS NZ 1 1 4 1743 1 1 11 LYS O O -10.401 -2.334 -0.623 1.00 . A A . 11 LYS O 1 1 4 1744 1 1 12 THR C C -10.706 -0.095 -2.722 1.00 . A A . 12 THR C 1 1 4 1745 1 1 12 THR CA C -11.796 -1.181 -2.748 1.00 . A A . 12 THR CA 1 1 4 1746 1 1 12 THR CB C -13.002 -0.788 -3.615 1.00 . A A . 12 THR CB 1 1 4 1747 1 1 12 THR CG2 C -12.662 0.206 -4.711 1.00 . A A . 12 THR CG2 1 1 4 1748 1 1 12 THR H H -13.217 -1.184 -1.209 1.00 . A A . 12 THR H 1 1 4 1749 1 1 12 THR HA H -11.377 -2.101 -3.133 1.00 . A A . 12 THR HA 1 1 4 1750 1 1 12 THR HB H -13.723 -0.335 -2.950 1.00 . A A . 12 THR HB 1 1 4 1751 1 1 12 THR HG1 H -13.884 -1.767 -5.085 1.00 . A A . 12 THR HG1 1 1 4 1752 1 1 12 THR HG21 H -13.567 0.479 -5.233 1.00 . A A . 12 THR HG21 1 1 4 1753 1 1 12 THR HG22 H -11.965 -0.241 -5.404 1.00 . A A . 12 THR HG22 1 1 4 1754 1 1 12 THR HG23 H -12.222 1.089 -4.272 1.00 . A A . 12 THR HG23 1 1 4 1755 1 1 12 THR N N -12.290 -1.424 -1.414 1.00 . A A . 12 THR N 1 1 4 1756 1 1 12 THR O O -9.702 -0.175 -3.433 1.00 . A A . 12 THR O 1 1 4 1757 1 1 12 THR OG1 O -13.605 -1.958 -4.177 1.00 . A A . 12 THR OG1 1 1 4 1758 1 1 13 LEU C C -8.750 1.303 -0.787 1.00 . A A . 13 LEU C 1 1 4 1759 1 1 13 LEU CA C -9.905 1.917 -1.566 1.00 . A A . 13 LEU CA 1 1 4 1760 1 1 13 LEU CB C -10.556 3.031 -0.717 1.00 . A A . 13 LEU CB 1 1 4 1761 1 1 13 LEU CD1 C -9.516 4.958 0.517 1.00 . A A . 13 LEU CD1 1 1 4 1762 1 1 13 LEU CD2 C -10.552 3.077 1.817 1.00 . A A . 13 LEU CD2 1 1 4 1763 1 1 13 LEU CG C -9.787 3.463 0.543 1.00 . A A . 13 LEU CG 1 1 4 1764 1 1 13 LEU H H -11.769 0.939 -1.394 1.00 . A A . 13 LEU H 1 1 4 1765 1 1 13 LEU HA H -9.536 2.325 -2.497 1.00 . A A . 13 LEU HA 1 1 4 1766 1 1 13 LEU HB2 H -10.691 3.898 -1.340 1.00 . A A . 13 LEU HB2 1 1 4 1767 1 1 13 LEU HB3 H -11.528 2.678 -0.401 1.00 . A A . 13 LEU HB3 1 1 4 1768 1 1 13 LEU HD11 H -8.968 5.242 1.403 1.00 . A A . 13 LEU HD11 1 1 4 1769 1 1 13 LEU HD12 H -10.454 5.494 0.487 1.00 . A A . 13 LEU HD12 1 1 4 1770 1 1 13 LEU HD13 H -8.935 5.204 -0.359 1.00 . A A . 13 LEU HD13 1 1 4 1771 1 1 13 LEU HD21 H -11.528 3.543 1.813 1.00 . A A . 13 LEU HD21 1 1 4 1772 1 1 13 LEU HD22 H -10.003 3.402 2.687 1.00 . A A . 13 LEU HD22 1 1 4 1773 1 1 13 LEU HD23 H -10.678 1.997 1.859 1.00 . A A . 13 LEU HD23 1 1 4 1774 1 1 13 LEU HG H -8.838 2.953 0.561 1.00 . A A . 13 LEU HG 1 1 4 1775 1 1 13 LEU N N -10.908 0.894 -1.860 1.00 . A A . 13 LEU N 1 1 4 1776 1 1 13 LEU O O -7.590 1.668 -0.947 1.00 . A A . 13 LEU O 1 1 4 1777 1 1 14 TYR C C -7.138 -1.050 0.490 1.00 . A A . 14 TYR C 1 1 4 1778 1 1 14 TYR CA C -8.225 -0.160 1.059 1.00 . A A . 14 TYR CA 1 1 4 1779 1 1 14 TYR CB C -9.031 -0.932 2.085 1.00 . A A . 14 TYR CB 1 1 4 1780 1 1 14 TYR CD1 C -7.498 -2.496 3.266 1.00 . A A . 14 TYR CD1 1 1 4 1781 1 1 14 TYR CD2 C -8.077 -0.450 4.333 1.00 . A A . 14 TYR CD2 1 1 4 1782 1 1 14 TYR CE1 C -6.676 -2.829 4.307 1.00 . A A . 14 TYR CE1 1 1 4 1783 1 1 14 TYR CE2 C -7.262 -0.771 5.396 1.00 . A A . 14 TYR CE2 1 1 4 1784 1 1 14 TYR CG C -8.201 -1.310 3.261 1.00 . A A . 14 TYR CG 1 1 4 1785 1 1 14 TYR CZ C -6.558 -1.963 5.381 1.00 . A A . 14 TYR CZ 1 1 4 1786 1 1 14 TYR H H -10.011 -0.015 -0.022 1.00 . A A . 14 TYR H 1 1 4 1787 1 1 14 TYR HA H -7.763 0.683 1.548 1.00 . A A . 14 TYR HA 1 1 4 1788 1 1 14 TYR HB2 H -9.849 -0.323 2.427 1.00 . A A . 14 TYR HB2 1 1 4 1789 1 1 14 TYR HB3 H -9.414 -1.837 1.637 1.00 . A A . 14 TYR HB3 1 1 4 1790 1 1 14 TYR HD1 H -7.601 -3.166 2.428 1.00 . A A . 14 TYR HD1 1 1 4 1791 1 1 14 TYR HD2 H -8.652 0.478 4.335 1.00 . A A . 14 TYR HD2 1 1 4 1792 1 1 14 TYR HE1 H -6.134 -3.760 4.275 1.00 . A A . 14 TYR HE1 1 1 4 1793 1 1 14 TYR HE2 H -7.167 -0.088 6.223 1.00 . A A . 14 TYR HE2 1 1 4 1794 1 1 14 TYR HH H -6.207 -2.154 7.265 1.00 . A A . 14 TYR HH 1 1 4 1795 1 1 14 TYR N N -9.102 0.349 0.041 1.00 . A A . 14 TYR N 1 1 4 1796 1 1 14 TYR O O -5.993 -0.996 0.923 1.00 . A A . 14 TYR O 1 1 4 1797 1 1 14 TYR OH O -5.732 -2.286 6.433 1.00 . A A . 14 TYR OH 1 1 4 1798 1 1 15 LEU C C -5.690 -2.028 -2.068 1.00 . A A . 15 LEU C 1 1 4 1799 1 1 15 LEU CA C -6.526 -2.780 -1.046 1.00 . A A . 15 LEU CA 1 1 4 1800 1 1 15 LEU CB C -7.230 -3.978 -1.655 1.00 . A A . 15 LEU CB 1 1 4 1801 1 1 15 LEU CD1 C -9.176 -5.547 -1.549 1.00 . A A . 15 LEU CD1 1 1 4 1802 1 1 15 LEU CD2 C -7.649 -5.320 0.413 1.00 . A A . 15 LEU CD2 1 1 4 1803 1 1 15 LEU CG C -8.297 -4.596 -0.758 1.00 . A A . 15 LEU CG 1 1 4 1804 1 1 15 LEU H H -8.410 -1.874 -0.793 1.00 . A A . 15 LEU H 1 1 4 1805 1 1 15 LEU HA H -5.882 -3.120 -0.251 1.00 . A A . 15 LEU HA 1 1 4 1806 1 1 15 LEU HB2 H -7.683 -3.684 -2.590 1.00 . A A . 15 LEU HB2 1 1 4 1807 1 1 15 LEU HB3 H -6.486 -4.729 -1.844 1.00 . A A . 15 LEU HB3 1 1 4 1808 1 1 15 LEU HD11 H -9.923 -5.975 -0.898 1.00 . A A . 15 LEU HD11 1 1 4 1809 1 1 15 LEU HD12 H -8.567 -6.336 -1.966 1.00 . A A . 15 LEU HD12 1 1 4 1810 1 1 15 LEU HD13 H -9.659 -5.007 -2.348 1.00 . A A . 15 LEU HD13 1 1 4 1811 1 1 15 LEU HD21 H -7.036 -6.128 0.042 1.00 . A A . 15 LEU HD21 1 1 4 1812 1 1 15 LEU HD22 H -8.416 -5.716 1.061 1.00 . A A . 15 LEU HD22 1 1 4 1813 1 1 15 LEU HD23 H -7.033 -4.626 0.966 1.00 . A A . 15 LEU HD23 1 1 4 1814 1 1 15 LEU HG H -8.918 -3.809 -0.362 1.00 . A A . 15 LEU HG 1 1 4 1815 1 1 15 LEU N N -7.489 -1.873 -0.467 1.00 . A A . 15 LEU N 1 1 4 1816 1 1 15 LEU O O -4.683 -2.522 -2.571 1.00 . A A . 15 LEU O 1 1 4 1817 1 1 16 LYS C C -4.337 0.749 -2.099 1.00 . A A . 16 LYS C 1 1 4 1818 1 1 16 LYS CA C -5.348 0.155 -3.078 1.00 . A A . 16 LYS CA 1 1 4 1819 1 1 16 LYS CB C -6.288 1.226 -3.660 1.00 . A A . 16 LYS CB 1 1 4 1820 1 1 16 LYS CD C -5.366 3.462 -3.020 1.00 . A A . 16 LYS CD 1 1 4 1821 1 1 16 LYS CE C -4.840 4.796 -3.518 1.00 . A A . 16 LYS CE 1 1 4 1822 1 1 16 LYS CG C -5.609 2.488 -4.161 1.00 . A A . 16 LYS CG 1 1 4 1823 1 1 16 LYS H H -7.032 -0.557 -2.059 1.00 . A A . 16 LYS H 1 1 4 1824 1 1 16 LYS HA H -4.824 -0.349 -3.876 1.00 . A A . 16 LYS HA 1 1 4 1825 1 1 16 LYS HB2 H -6.841 0.798 -4.479 1.00 . A A . 16 LYS HB2 1 1 4 1826 1 1 16 LYS HB3 H -6.990 1.512 -2.888 1.00 . A A . 16 LYS HB3 1 1 4 1827 1 1 16 LYS HD2 H -6.299 3.618 -2.498 1.00 . A A . 16 LYS HD2 1 1 4 1828 1 1 16 LYS HD3 H -4.647 3.024 -2.343 1.00 . A A . 16 LYS HD3 1 1 4 1829 1 1 16 LYS HE2 H -4.643 5.432 -2.667 1.00 . A A . 16 LYS HE2 1 1 4 1830 1 1 16 LYS HE3 H -3.921 4.627 -4.060 1.00 . A A . 16 LYS HE3 1 1 4 1831 1 1 16 LYS HG2 H -4.660 2.224 -4.604 1.00 . A A . 16 LYS HG2 1 1 4 1832 1 1 16 LYS HG3 H -6.239 2.959 -4.901 1.00 . A A . 16 LYS HG3 1 1 4 1833 1 1 16 LYS HZ1 H -5.992 4.892 -5.255 1.00 . A A . 16 LYS HZ1 1 1 4 1834 1 1 16 LYS HZ2 H -5.436 6.395 -4.721 1.00 . A A . 16 LYS HZ2 1 1 4 1835 1 1 16 LYS HZ3 H -6.710 5.632 -3.917 1.00 . A A . 16 LYS HZ3 1 1 4 1836 1 1 16 LYS N N -6.137 -0.815 -2.357 1.00 . A A . 16 LYS N 1 1 4 1837 1 1 16 LYS NZ N -5.810 5.475 -4.414 1.00 . A A . 16 LYS NZ 1 1 4 1838 1 1 16 LYS O O -3.172 0.976 -2.429 1.00 . A A . 16 LYS O 1 1 4 1839 1 1 17 ILE C C -2.921 0.426 0.563 1.00 . A A . 17 ILE C 1 1 4 1840 1 1 17 ILE CA C -4.003 1.447 0.220 1.00 . A A . 17 ILE CA 1 1 4 1841 1 1 17 ILE CB C -4.903 1.721 1.448 1.00 . A A . 17 ILE CB 1 1 4 1842 1 1 17 ILE CD1 C -6.565 3.390 2.418 1.00 . A A . 17 ILE CD1 1 1 4 1843 1 1 17 ILE CG1 C -5.615 3.065 1.288 1.00 . A A . 17 ILE CG1 1 1 4 1844 1 1 17 ILE CG2 C -4.117 1.665 2.747 1.00 . A A . 17 ILE CG2 1 1 4 1845 1 1 17 ILE H H -5.766 0.816 -0.707 1.00 . A A . 17 ILE H 1 1 4 1846 1 1 17 ILE HA H -3.543 2.370 -0.082 1.00 . A A . 17 ILE HA 1 1 4 1847 1 1 17 ILE HB H -5.647 0.941 1.487 1.00 . A A . 17 ILE HB 1 1 4 1848 1 1 17 ILE HD11 H -7.026 4.349 2.236 1.00 . A A . 17 ILE HD11 1 1 4 1849 1 1 17 ILE HD12 H -6.019 3.426 3.349 1.00 . A A . 17 ILE HD12 1 1 4 1850 1 1 17 ILE HD13 H -7.328 2.630 2.479 1.00 . A A . 17 ILE HD13 1 1 4 1851 1 1 17 ILE HG12 H -4.878 3.850 1.241 1.00 . A A . 17 ILE HG12 1 1 4 1852 1 1 17 ILE HG13 H -6.183 3.057 0.369 1.00 . A A . 17 ILE HG13 1 1 4 1853 1 1 17 ILE HG21 H -4.800 1.753 3.584 1.00 . A A . 17 ILE HG21 1 1 4 1854 1 1 17 ILE HG22 H -3.404 2.474 2.772 1.00 . A A . 17 ILE HG22 1 1 4 1855 1 1 17 ILE HG23 H -3.599 0.720 2.805 1.00 . A A . 17 ILE HG23 1 1 4 1856 1 1 17 ILE N N -4.815 0.973 -0.878 1.00 . A A . 17 ILE N 1 1 4 1857 1 1 17 ILE O O -1.748 0.766 0.700 1.00 . A A . 17 ILE O 1 1 4 1858 1 1 18 SER C C -1.388 -2.039 -0.147 1.00 . A A . 18 SER C 1 1 4 1859 1 1 18 SER CA C -2.421 -1.924 0.961 1.00 . A A . 18 SER CA 1 1 4 1860 1 1 18 SER CB C -3.195 -3.238 1.062 1.00 . A A . 18 SER CB 1 1 4 1861 1 1 18 SER H H -4.296 -1.019 0.585 1.00 . A A . 18 SER H 1 1 4 1862 1 1 18 SER HA H -1.925 -1.724 1.898 1.00 . A A . 18 SER HA 1 1 4 1863 1 1 18 SER HB2 H -4.110 -3.077 1.611 1.00 . A A . 18 SER HB2 1 1 4 1864 1 1 18 SER HB3 H -3.426 -3.583 0.057 1.00 . A A . 18 SER HB3 1 1 4 1865 1 1 18 SER HG H -2.335 -5.000 1.132 1.00 . A A . 18 SER HG 1 1 4 1866 1 1 18 SER N N -3.334 -0.828 0.679 1.00 . A A . 18 SER N 1 1 4 1867 1 1 18 SER O O -0.215 -2.319 0.097 1.00 . A A . 18 SER O 1 1 4 1868 1 1 18 SER OG O -2.433 -4.238 1.720 1.00 . A A . 18 SER OG 1 1 4 1869 1 1 19 PHE C C 0.096 -0.893 -2.543 1.00 . A A . 19 PHE C 1 1 4 1870 1 1 19 PHE CA C -1.020 -1.928 -2.544 1.00 . A A . 19 PHE CA 1 1 4 1871 1 1 19 PHE CB C -1.878 -1.759 -3.791 1.00 . A A . 19 PHE CB 1 1 4 1872 1 1 19 PHE CD1 C -0.652 -0.924 -5.802 1.00 . A A . 19 PHE CD1 1 1 4 1873 1 1 19 PHE CD2 C -0.887 -3.275 -5.491 1.00 . A A . 19 PHE CD2 1 1 4 1874 1 1 19 PHE CE1 C 0.049 -1.143 -6.973 1.00 . A A . 19 PHE CE1 1 1 4 1875 1 1 19 PHE CE2 C -0.187 -3.504 -6.660 1.00 . A A . 19 PHE CE2 1 1 4 1876 1 1 19 PHE CG C -1.124 -1.989 -5.056 1.00 . A A . 19 PHE CG 1 1 4 1877 1 1 19 PHE CZ C 0.281 -2.437 -7.403 1.00 . A A . 19 PHE CZ 1 1 4 1878 1 1 19 PHE H H -2.786 -1.542 -1.473 1.00 . A A . 19 PHE H 1 1 4 1879 1 1 19 PHE HA H -0.583 -2.916 -2.546 1.00 . A A . 19 PHE HA 1 1 4 1880 1 1 19 PHE HB2 H -2.696 -2.463 -3.756 1.00 . A A . 19 PHE HB2 1 1 4 1881 1 1 19 PHE HB3 H -2.274 -0.754 -3.813 1.00 . A A . 19 PHE HB3 1 1 4 1882 1 1 19 PHE HD1 H -0.834 0.088 -5.457 1.00 . A A . 19 PHE HD1 1 1 4 1883 1 1 19 PHE HD2 H -1.255 -4.106 -4.899 1.00 . A A . 19 PHE HD2 1 1 4 1884 1 1 19 PHE HE1 H 0.415 -0.306 -7.551 1.00 . A A . 19 PHE HE1 1 1 4 1885 1 1 19 PHE HE2 H -0.009 -4.515 -6.993 1.00 . A A . 19 PHE HE2 1 1 4 1886 1 1 19 PHE HZ H 0.828 -2.613 -8.317 1.00 . A A . 19 PHE HZ 1 1 4 1887 1 1 19 PHE N N -1.849 -1.805 -1.366 1.00 . A A . 19 PHE N 1 1 4 1888 1 1 19 PHE O O 1.280 -1.238 -2.591 1.00 . A A . 19 PHE O 1 1 4 1889 1 1 20 LEU C C 1.500 1.447 -1.235 1.00 . A A . 20 LEU C 1 1 4 1890 1 1 20 LEU CA C 0.673 1.461 -2.506 1.00 . A A . 20 LEU CA 1 1 4 1891 1 1 20 LEU CB C -0.033 2.806 -2.670 1.00 . A A . 20 LEU CB 1 1 4 1892 1 1 20 LEU CD1 C -1.269 4.424 -4.127 1.00 . A A . 20 LEU CD1 1 1 4 1893 1 1 20 LEU CD2 C 0.162 2.649 -5.153 1.00 . A A . 20 LEU CD2 1 1 4 1894 1 1 20 LEU CG C -0.758 2.999 -3.999 1.00 . A A . 20 LEU CG 1 1 4 1895 1 1 20 LEU H H -1.251 0.582 -2.442 1.00 . A A . 20 LEU H 1 1 4 1896 1 1 20 LEU HA H 1.330 1.305 -3.346 1.00 . A A . 20 LEU HA 1 1 4 1897 1 1 20 LEU HB2 H -0.754 2.907 -1.875 1.00 . A A . 20 LEU HB2 1 1 4 1898 1 1 20 LEU HB3 H 0.703 3.588 -2.571 1.00 . A A . 20 LEU HB3 1 1 4 1899 1 1 20 LEU HD11 H -1.939 4.640 -3.309 1.00 . A A . 20 LEU HD11 1 1 4 1900 1 1 20 LEU HD12 H -1.796 4.535 -5.064 1.00 . A A . 20 LEU HD12 1 1 4 1901 1 1 20 LEU HD13 H -0.435 5.109 -4.101 1.00 . A A . 20 LEU HD13 1 1 4 1902 1 1 20 LEU HD21 H -0.358 2.798 -6.087 1.00 . A A . 20 LEU HD21 1 1 4 1903 1 1 20 LEU HD22 H 0.462 1.617 -5.067 1.00 . A A . 20 LEU HD22 1 1 4 1904 1 1 20 LEU HD23 H 1.036 3.281 -5.121 1.00 . A A . 20 LEU HD23 1 1 4 1905 1 1 20 LEU HG H -1.608 2.333 -4.036 1.00 . A A . 20 LEU HG 1 1 4 1906 1 1 20 LEU N N -0.291 0.374 -2.492 1.00 . A A . 20 LEU N 1 1 4 1907 1 1 20 LEU O O 2.692 1.738 -1.258 1.00 . A A . 20 LEU O 1 1 4 1908 1 1 21 GLY C C 2.657 -0.079 1.089 1.00 . A A . 21 GLY C 1 1 4 1909 1 1 21 GLY CA C 1.563 0.971 1.129 1.00 . A A . 21 GLY CA 1 1 4 1910 1 1 21 GLY H H -0.100 0.898 -0.183 1.00 . A A . 21 GLY H 1 1 4 1911 1 1 21 GLY HA2 H 2.003 1.927 1.372 1.00 . A A . 21 GLY HA2 1 1 4 1912 1 1 21 GLY HA3 H 0.852 0.706 1.899 1.00 . A A . 21 GLY HA3 1 1 4 1913 1 1 21 GLY N N 0.864 1.084 -0.136 1.00 . A A . 21 GLY N 1 1 4 1914 1 1 21 GLY O O 3.701 0.079 1.716 1.00 . A A . 21 GLY O 1 1 4 1915 1 1 22 CYS C C 4.569 -1.734 -0.690 1.00 . A A . 22 CYS C 1 1 4 1916 1 1 22 CYS CA C 3.399 -2.208 0.171 1.00 . A A . 22 CYS CA 1 1 4 1917 1 1 22 CYS CB C 2.744 -3.439 -0.462 1.00 . A A . 22 CYS CB 1 1 4 1918 1 1 22 CYS H H 1.545 -1.234 -0.096 1.00 . A A . 22 CYS H 1 1 4 1919 1 1 22 CYS HA H 3.772 -2.473 1.148 1.00 . A A . 22 CYS HA 1 1 4 1920 1 1 22 CYS HB2 H 1.935 -3.766 0.172 1.00 . A A . 22 CYS HB2 1 1 4 1921 1 1 22 CYS HB3 H 2.345 -3.168 -1.431 1.00 . A A . 22 CYS HB3 1 1 4 1922 1 1 22 CYS HG H 5.103 -4.396 -0.593 1.00 . A A . 22 CYS HG 1 1 4 1923 1 1 22 CYS N N 2.417 -1.147 0.340 1.00 . A A . 22 CYS N 1 1 4 1924 1 1 22 CYS O O 5.659 -2.294 -0.626 1.00 . A A . 22 CYS O 1 1 4 1925 1 1 22 CYS SG S 3.857 -4.845 -0.695 1.00 . A A . 22 CYS SG 1 1 4 1926 1 1 23 LYS C C 6.097 0.983 -1.590 1.00 . A A . 23 LYS C 1 1 4 1927 1 1 23 LYS CA C 5.402 -0.152 -2.327 1.00 . A A . 23 LYS CA 1 1 4 1928 1 1 23 LYS CB C 4.846 0.316 -3.675 1.00 . A A . 23 LYS CB 1 1 4 1929 1 1 23 LYS CD C 5.401 0.835 -6.078 1.00 . A A . 23 LYS CD 1 1 4 1930 1 1 23 LYS CE C 4.204 1.758 -6.250 1.00 . A A . 23 LYS CE 1 1 4 1931 1 1 23 LYS CG C 5.912 0.811 -4.642 1.00 . A A . 23 LYS CG 1 1 4 1932 1 1 23 LYS H H 3.439 -0.329 -1.550 1.00 . A A . 23 LYS H 1 1 4 1933 1 1 23 LYS HA H 6.126 -0.927 -2.495 1.00 . A A . 23 LYS HA 1 1 4 1934 1 1 23 LYS HB2 H 4.323 -0.506 -4.140 1.00 . A A . 23 LYS HB2 1 1 4 1935 1 1 23 LYS HB3 H 4.147 1.121 -3.501 1.00 . A A . 23 LYS HB3 1 1 4 1936 1 1 23 LYS HD2 H 6.195 1.175 -6.725 1.00 . A A . 23 LYS HD2 1 1 4 1937 1 1 23 LYS HD3 H 5.113 -0.167 -6.359 1.00 . A A . 23 LYS HD3 1 1 4 1938 1 1 23 LYS HE2 H 3.824 1.646 -7.254 1.00 . A A . 23 LYS HE2 1 1 4 1939 1 1 23 LYS HE3 H 3.439 1.467 -5.543 1.00 . A A . 23 LYS HE3 1 1 4 1940 1 1 23 LYS HG2 H 6.206 1.810 -4.359 1.00 . A A . 23 LYS HG2 1 1 4 1941 1 1 23 LYS HG3 H 6.766 0.154 -4.586 1.00 . A A . 23 LYS HG3 1 1 4 1942 1 1 23 LYS HZ1 H 5.291 3.483 -6.693 1.00 . A A . 23 LYS HZ1 1 1 4 1943 1 1 23 LYS HZ2 H 4.905 3.325 -5.057 1.00 . A A . 23 LYS HZ2 1 1 4 1944 1 1 23 LYS HZ3 H 3.714 3.785 -6.165 1.00 . A A . 23 LYS HZ3 1 1 4 1945 1 1 23 LYS N N 4.339 -0.714 -1.503 1.00 . A A . 23 LYS N 1 1 4 1946 1 1 23 LYS NZ N 4.553 3.186 -6.024 1.00 . A A . 23 LYS NZ 1 1 4 1947 1 1 23 LYS O O 7.306 1.177 -1.709 1.00 . A A . 23 LYS O 1 1 4 1948 1 1 24 VAL C C 6.310 2.263 1.373 1.00 . A A . 24 VAL C 1 1 4 1949 1 1 24 VAL CA C 5.877 2.791 -0.008 1.00 . A A . 24 VAL CA 1 1 4 1950 1 1 24 VAL CB C 4.868 3.957 0.081 1.00 . A A . 24 VAL CB 1 1 4 1951 1 1 24 VAL CG1 C 5.364 5.094 0.950 1.00 . A A . 24 VAL CG1 1 1 4 1952 1 1 24 VAL CG2 C 4.573 4.465 -1.318 1.00 . A A . 24 VAL CG2 1 1 4 1953 1 1 24 VAL H H 4.364 1.538 -0.767 1.00 . A A . 24 VAL H 1 1 4 1954 1 1 24 VAL HA H 6.760 3.152 -0.526 1.00 . A A . 24 VAL HA 1 1 4 1955 1 1 24 VAL HB H 3.962 3.586 0.500 1.00 . A A . 24 VAL HB 1 1 4 1956 1 1 24 VAL HG11 H 4.572 5.812 1.090 1.00 . A A . 24 VAL HG11 1 1 4 1957 1 1 24 VAL HG12 H 6.199 5.567 0.468 1.00 . A A . 24 VAL HG12 1 1 4 1958 1 1 24 VAL HG13 H 5.674 4.701 1.905 1.00 . A A . 24 VAL HG13 1 1 4 1959 1 1 24 VAL HG21 H 5.505 4.741 -1.798 1.00 . A A . 24 VAL HG21 1 1 4 1960 1 1 24 VAL HG22 H 3.926 5.326 -1.260 1.00 . A A . 24 VAL HG22 1 1 4 1961 1 1 24 VAL HG23 H 4.092 3.686 -1.889 1.00 . A A . 24 VAL HG23 1 1 4 1962 1 1 24 VAL N N 5.332 1.714 -0.803 1.00 . A A . 24 VAL N 1 1 4 1963 1 1 24 VAL O O 6.564 3.008 2.317 1.00 . A A . 24 VAL O 1 1 4 1964 1 1 25 VAL C C 8.554 0.095 2.067 1.00 . A A . 25 VAL C 1 1 4 1965 1 1 25 VAL CA C 7.132 0.341 2.565 1.00 . A A . 25 VAL CA 1 1 4 1966 1 1 25 VAL CB C 6.486 -0.986 3.025 1.00 . A A . 25 VAL CB 1 1 4 1967 1 1 25 VAL CG1 C 6.889 -2.143 2.122 1.00 . A A . 25 VAL CG1 1 1 4 1968 1 1 25 VAL CG2 C 6.829 -1.282 4.474 1.00 . A A . 25 VAL CG2 1 1 4 1969 1 1 25 VAL H H 5.913 0.389 0.841 1.00 . A A . 25 VAL H 1 1 4 1970 1 1 25 VAL HA H 7.157 1.029 3.398 1.00 . A A . 25 VAL HA 1 1 4 1971 1 1 25 VAL HB H 5.416 -0.872 2.954 1.00 . A A . 25 VAL HB 1 1 4 1972 1 1 25 VAL HG11 H 6.427 -3.053 2.471 1.00 . A A . 25 VAL HG11 1 1 4 1973 1 1 25 VAL HG12 H 7.966 -2.253 2.137 1.00 . A A . 25 VAL HG12 1 1 4 1974 1 1 25 VAL HG13 H 6.566 -1.938 1.110 1.00 . A A . 25 VAL HG13 1 1 4 1975 1 1 25 VAL HG21 H 7.899 -1.375 4.580 1.00 . A A . 25 VAL HG21 1 1 4 1976 1 1 25 VAL HG22 H 6.355 -2.204 4.772 1.00 . A A . 25 VAL HG22 1 1 4 1977 1 1 25 VAL HG23 H 6.473 -0.476 5.099 1.00 . A A . 25 VAL HG23 1 1 4 1978 1 1 25 VAL N N 6.384 0.953 1.484 1.00 . A A . 25 VAL N 1 1 4 1979 1 1 25 VAL O O 9.516 0.048 2.835 1.00 . A A . 25 VAL O 1 1 4 1980 1 1 26 VAL C C 10.829 0.827 0.011 1.00 . A A . 26 VAL C 1 1 4 1981 1 1 26 VAL CA C 9.889 -0.350 0.068 1.00 . A A . 26 VAL CA 1 1 4 1982 1 1 26 VAL CB C 9.601 -0.824 -1.364 1.00 . A A . 26 VAL CB 1 1 4 1983 1 1 26 VAL CG1 C 10.888 -1.091 -2.130 1.00 . A A . 26 VAL CG1 1 1 4 1984 1 1 26 VAL CG2 C 8.727 -2.064 -1.340 1.00 . A A . 26 VAL CG2 1 1 4 1985 1 1 26 VAL H H 7.859 0.158 0.202 1.00 . A A . 26 VAL H 1 1 4 1986 1 1 26 VAL HA H 10.356 -1.143 0.604 1.00 . A A . 26 VAL HA 1 1 4 1987 1 1 26 VAL HB H 9.057 -0.032 -1.867 1.00 . A A . 26 VAL HB 1 1 4 1988 1 1 26 VAL HG11 H 10.651 -1.379 -3.143 1.00 . A A . 26 VAL HG11 1 1 4 1989 1 1 26 VAL HG12 H 11.432 -1.889 -1.648 1.00 . A A . 26 VAL HG12 1 1 4 1990 1 1 26 VAL HG13 H 11.492 -0.196 -2.138 1.00 . A A . 26 VAL HG13 1 1 4 1991 1 1 26 VAL HG21 H 9.234 -2.848 -0.796 1.00 . A A . 26 VAL HG21 1 1 4 1992 1 1 26 VAL HG22 H 8.538 -2.392 -2.351 1.00 . A A . 26 VAL HG22 1 1 4 1993 1 1 26 VAL HG23 H 7.792 -1.835 -0.852 1.00 . A A . 26 VAL HG23 1 1 4 1994 1 1 26 VAL N N 8.657 -0.007 0.745 1.00 . A A . 26 VAL N 1 1 4 1995 1 1 26 VAL O O 11.992 0.736 0.393 1.00 . A A . 26 VAL O 1 1 4 1996 1 1 27 LEU C C 11.661 3.585 0.783 1.00 . A A . 27 LEU C 1 1 4 1997 1 1 27 LEU CA C 11.093 3.150 -0.583 1.00 . A A . 27 LEU CA 1 1 4 1998 1 1 27 LEU CB C 10.282 4.259 -1.295 1.00 . A A . 27 LEU CB 1 1 4 1999 1 1 27 LEU CD1 C 8.052 5.353 -1.442 1.00 . A A . 27 LEU CD1 1 1 4 2000 1 1 27 LEU CD2 C 8.679 4.194 0.649 1.00 . A A . 27 LEU CD2 1 1 4 2001 1 1 27 LEU CG C 9.195 5.001 -0.511 1.00 . A A . 27 LEU CG 1 1 4 2002 1 1 27 LEU H H 9.376 1.928 -0.757 1.00 . A A . 27 LEU H 1 1 4 2003 1 1 27 LEU HA H 11.921 2.897 -1.212 1.00 . A A . 27 LEU HA 1 1 4 2004 1 1 27 LEU HB2 H 10.981 4.994 -1.658 1.00 . A A . 27 LEU HB2 1 1 4 2005 1 1 27 LEU HB3 H 9.802 3.802 -2.152 1.00 . A A . 27 LEU HB3 1 1 4 2006 1 1 27 LEU HD11 H 7.570 4.441 -1.769 1.00 . A A . 27 LEU HD11 1 1 4 2007 1 1 27 LEU HD12 H 8.434 5.888 -2.298 1.00 . A A . 27 LEU HD12 1 1 4 2008 1 1 27 LEU HD13 H 7.337 5.968 -0.919 1.00 . A A . 27 LEU HD13 1 1 4 2009 1 1 27 LEU HD21 H 7.771 4.636 1.029 1.00 . A A . 27 LEU HD21 1 1 4 2010 1 1 27 LEU HD22 H 9.427 4.178 1.427 1.00 . A A . 27 LEU HD22 1 1 4 2011 1 1 27 LEU HD23 H 8.482 3.179 0.325 1.00 . A A . 27 LEU HD23 1 1 4 2012 1 1 27 LEU HG H 9.604 5.923 -0.125 1.00 . A A . 27 LEU HG 1 1 4 2013 1 1 27 LEU N N 10.308 1.935 -0.460 1.00 . A A . 27 LEU N 1 1 4 2014 1 1 27 LEU O O 12.585 4.395 0.855 1.00 . A A . 27 LEU O 1 1 4 2015 1 1 28 LEU C C 12.761 2.344 3.518 1.00 . A A . 28 LEU C 1 1 4 2016 1 1 28 LEU CA C 11.585 3.270 3.207 1.00 . A A . 28 LEU CA 1 1 4 2017 1 1 28 LEU CB C 10.479 3.052 4.244 1.00 . A A . 28 LEU CB 1 1 4 2018 1 1 28 LEU CD1 C 8.229 3.618 5.186 1.00 . A A . 28 LEU CD1 1 1 4 2019 1 1 28 LEU CD2 C 9.618 5.410 4.132 1.00 . A A . 28 LEU CD2 1 1 4 2020 1 1 28 LEU CG C 9.241 3.935 4.096 1.00 . A A . 28 LEU CG 1 1 4 2021 1 1 28 LEU H H 10.292 2.469 1.738 1.00 . A A . 28 LEU H 1 1 4 2022 1 1 28 LEU HA H 11.924 4.294 3.264 1.00 . A A . 28 LEU HA 1 1 4 2023 1 1 28 LEU HB2 H 10.165 2.020 4.186 1.00 . A A . 28 LEU HB2 1 1 4 2024 1 1 28 LEU HB3 H 10.898 3.224 5.224 1.00 . A A . 28 LEU HB3 1 1 4 2025 1 1 28 LEU HD11 H 7.932 2.581 5.112 1.00 . A A . 28 LEU HD11 1 1 4 2026 1 1 28 LEU HD12 H 7.360 4.249 5.067 1.00 . A A . 28 LEU HD12 1 1 4 2027 1 1 28 LEU HD13 H 8.673 3.796 6.154 1.00 . A A . 28 LEU HD13 1 1 4 2028 1 1 28 LEU HD21 H 10.279 5.634 3.306 1.00 . A A . 28 LEU HD21 1 1 4 2029 1 1 28 LEU HD22 H 10.117 5.632 5.062 1.00 . A A . 28 LEU HD22 1 1 4 2030 1 1 28 LEU HD23 H 8.726 6.014 4.050 1.00 . A A . 28 LEU HD23 1 1 4 2031 1 1 28 LEU HG H 8.775 3.729 3.145 1.00 . A A . 28 LEU HG 1 1 4 2032 1 1 28 LEU N N 11.086 3.038 1.861 1.00 . A A . 28 LEU N 1 1 4 2033 1 1 28 LEU O O 13.887 2.806 3.701 1.00 . A A . 28 LEU O 1 1 4 2034 1 1 29 LYS C C 13.529 -1.193 3.155 1.00 . A A . 29 LYS C 1 1 4 2035 1 1 29 LYS CA C 13.544 0.090 3.984 1.00 . A A . 29 LYS CA 1 1 4 2036 1 1 29 LYS CB C 13.431 -0.251 5.484 1.00 . A A . 29 LYS CB 1 1 4 2037 1 1 29 LYS CD C 10.951 -0.618 5.537 1.00 . A A . 29 LYS CD 1 1 4 2038 1 1 29 LYS CE C 10.530 0.390 6.594 1.00 . A A . 29 LYS CE 1 1 4 2039 1 1 29 LYS CG C 12.307 -1.218 5.833 1.00 . A A . 29 LYS CG 1 1 4 2040 1 1 29 LYS H H 11.621 0.700 3.290 1.00 . A A . 29 LYS H 1 1 4 2041 1 1 29 LYS HA H 14.482 0.578 3.824 1.00 . A A . 29 LYS HA 1 1 4 2042 1 1 29 LYS HB2 H 14.362 -0.692 5.807 1.00 . A A . 29 LYS HB2 1 1 4 2043 1 1 29 LYS HB3 H 13.271 0.666 6.034 1.00 . A A . 29 LYS HB3 1 1 4 2044 1 1 29 LYS HD2 H 11.018 -0.112 4.584 1.00 . A A . 29 LYS HD2 1 1 4 2045 1 1 29 LYS HD3 H 10.217 -1.408 5.482 1.00 . A A . 29 LYS HD3 1 1 4 2046 1 1 29 LYS HE2 H 11.264 1.181 6.632 1.00 . A A . 29 LYS HE2 1 1 4 2047 1 1 29 LYS HE3 H 9.573 0.803 6.314 1.00 . A A . 29 LYS HE3 1 1 4 2048 1 1 29 LYS HG2 H 12.425 -2.119 5.249 1.00 . A A . 29 LYS HG2 1 1 4 2049 1 1 29 LYS HG3 H 12.364 -1.458 6.885 1.00 . A A . 29 LYS HG3 1 1 4 2050 1 1 29 LYS HZ1 H 9.990 0.452 8.610 1.00 . A A . 29 LYS HZ1 1 1 4 2051 1 1 29 LYS HZ2 H 11.354 -0.493 8.298 1.00 . A A . 29 LYS HZ2 1 1 4 2052 1 1 29 LYS HZ3 H 9.817 -1.075 7.903 1.00 . A A . 29 LYS HZ3 1 1 4 2053 1 1 29 LYS N N 12.506 1.035 3.565 1.00 . A A . 29 LYS N 1 1 4 2054 1 1 29 LYS NZ N 10.414 -0.225 7.944 1.00 . A A . 29 LYS NZ 1 1 4 2055 1 1 29 LYS O O 14.175 -2.176 3.519 1.00 . A A . 29 LYS O 1 1 4 2056 1 1 30 ARG C C 12.139 -3.525 1.913 1.00 . A A . 30 ARG C 1 1 4 2057 1 1 30 ARG CA C 12.674 -2.315 1.152 1.00 . A A . 30 ARG CA 1 1 4 2058 1 1 30 ARG CB C 14.004 -2.643 0.479 1.00 . A A . 30 ARG CB 1 1 4 2059 1 1 30 ARG CD C 15.766 -1.983 -1.189 1.00 . A A . 30 ARG CD 1 1 4 2060 1 1 30 ARG CG C 14.423 -1.628 -0.573 1.00 . A A . 30 ARG CG 1 1 4 2061 1 1 30 ARG CZ C 18.116 -2.234 -0.473 1.00 . A A . 30 ARG CZ 1 1 4 2062 1 1 30 ARG H H 12.402 -0.312 1.764 1.00 . A A . 30 ARG H 1 1 4 2063 1 1 30 ARG HA H 11.960 -2.053 0.388 1.00 . A A . 30 ARG HA 1 1 4 2064 1 1 30 ARG HB2 H 14.769 -2.675 1.237 1.00 . A A . 30 ARG HB2 1 1 4 2065 1 1 30 ARG HB3 H 13.930 -3.612 0.008 1.00 . A A . 30 ARG HB3 1 1 4 2066 1 1 30 ARG HD2 H 15.688 -2.951 -1.658 1.00 . A A . 30 ARG HD2 1 1 4 2067 1 1 30 ARG HD3 H 16.013 -1.241 -1.933 1.00 . A A . 30 ARG HD3 1 1 4 2068 1 1 30 ARG HE H 16.571 -1.884 0.749 1.00 . A A . 30 ARG HE 1 1 4 2069 1 1 30 ARG HG2 H 13.677 -1.604 -1.353 1.00 . A A . 30 ARG HG2 1 1 4 2070 1 1 30 ARG HG3 H 14.493 -0.654 -0.110 1.00 . A A . 30 ARG HG3 1 1 4 2071 1 1 30 ARG HH11 H 17.827 -2.445 -2.467 1.00 . A A . 30 ARG HH11 1 1 4 2072 1 1 30 ARG HH12 H 19.470 -2.596 -1.940 1.00 . A A . 30 ARG HH12 1 1 4 2073 1 1 30 ARG HH21 H 18.720 -2.100 1.455 1.00 . A A . 30 ARG HH21 1 1 4 2074 1 1 30 ARG HH22 H 19.982 -2.392 0.301 1.00 . A A . 30 ARG HH22 1 1 4 2075 1 1 30 ARG N N 12.822 -1.155 2.030 1.00 . A A . 30 ARG N 1 1 4 2076 1 1 30 ARG NE N 16.833 -2.026 -0.189 1.00 . A A . 30 ARG NE 1 1 4 2077 1 1 30 ARG NH1 N 18.502 -2.442 -1.727 1.00 . A A . 30 ARG NH1 1 1 4 2078 1 1 30 ARG NH2 N 19.011 -2.246 0.505 1.00 . A A . 30 ARG NH2 1 1 4 2079 1 1 30 ARG O O 12.933 -4.430 2.248 1.00 . A A . 30 ARG O 1 1 4 2080 1 1 30 ARG OXT O 10.923 -3.565 2.178 1.00 . A A . 30 ARG OXT 1 1 5 2081 1 1 1 MET C C -27.995 -6.320 5.775 1.00 . A A . 1 MET C 1 1 5 2082 1 1 1 MET CA C -28.054 -7.791 6.157 1.00 . A A . 1 MET CA 1 1 5 2083 1 1 1 MET CB C -29.301 -8.069 7.000 1.00 . A A . 1 MET CB 1 1 5 2084 1 1 1 MET CE C -30.143 -12.076 6.191 1.00 . A A . 1 MET CE 1 1 5 2085 1 1 1 MET CG C -29.591 -9.550 7.188 1.00 . A A . 1 MET CG 1 1 5 2086 1 1 1 MET H1 H -26.742 -7.597 7.762 1.00 . A A . 1 MET H1 1 1 5 2087 1 1 1 MET H2 H -25.992 -8.012 6.308 1.00 . A A . 1 MET H2 1 1 5 2088 1 1 1 MET H3 H -26.869 -9.174 7.166 1.00 . A A . 1 MET H3 1 1 5 2089 1 1 1 MET HA H -28.099 -8.381 5.254 1.00 . A A . 1 MET HA 1 1 5 2090 1 1 1 MET HB2 H -29.169 -7.625 7.973 1.00 . A A . 1 MET HB2 1 1 5 2091 1 1 1 MET HB3 H -30.154 -7.615 6.521 1.00 . A A . 1 MET HB3 1 1 5 2092 1 1 1 MET HE1 H -31.032 -12.083 6.804 1.00 . A A . 1 MET HE1 1 1 5 2093 1 1 1 MET HE2 H -29.302 -12.422 6.773 1.00 . A A . 1 MET HE2 1 1 5 2094 1 1 1 MET HE3 H -30.288 -12.725 5.341 1.00 . A A . 1 MET HE3 1 1 5 2095 1 1 1 MET HG2 H -28.762 -10.001 7.710 1.00 . A A . 1 MET HG2 1 1 5 2096 1 1 1 MET HG3 H -30.487 -9.654 7.780 1.00 . A A . 1 MET HG3 1 1 5 2097 1 1 1 MET N N -26.831 -8.171 6.898 1.00 . A A . 1 MET N 1 1 5 2098 1 1 1 MET O O -27.009 -5.646 6.076 1.00 . A A . 1 MET O 1 1 5 2099 1 1 1 MET SD S -29.827 -10.406 5.620 1.00 . A A . 1 MET SD 1 1 5 2100 1 1 2 ALA C C -27.890 -4.069 3.826 1.00 . A A . 2 ALA C 1 1 5 2101 1 1 2 ALA CA C -29.112 -4.442 4.662 1.00 . A A . 2 ALA CA 1 1 5 2102 1 1 2 ALA CB C -29.258 -3.506 5.857 1.00 . A A . 2 ALA CB 1 1 5 2103 1 1 2 ALA H H -29.796 -6.435 4.898 1.00 . A A . 2 ALA H 1 1 5 2104 1 1 2 ALA HA H -29.995 -4.337 4.047 1.00 . A A . 2 ALA HA 1 1 5 2105 1 1 2 ALA HB1 H -29.377 -2.492 5.506 1.00 . A A . 2 ALA HB1 1 1 5 2106 1 1 2 ALA HB2 H -28.375 -3.572 6.476 1.00 . A A . 2 ALA HB2 1 1 5 2107 1 1 2 ALA HB3 H -30.125 -3.792 6.434 1.00 . A A . 2 ALA HB3 1 1 5 2108 1 1 2 ALA N N -29.042 -5.835 5.103 1.00 . A A . 2 ALA N 1 1 5 2109 1 1 2 ALA O O -27.320 -2.986 3.985 1.00 . A A . 2 ALA O 1 1 5 2110 1 1 3 THR C C -25.066 -4.573 2.946 1.00 . A A . 3 THR C 1 1 5 2111 1 1 3 THR CA C -26.318 -4.801 2.094 1.00 . A A . 3 THR CA 1 1 5 2112 1 1 3 THR CB C -26.514 -3.621 1.129 1.00 . A A . 3 THR CB 1 1 5 2113 1 1 3 THR CG2 C -25.536 -3.701 -0.030 1.00 . A A . 3 THR CG2 1 1 5 2114 1 1 3 THR H H -28.012 -5.811 2.857 1.00 . A A . 3 THR H 1 1 5 2115 1 1 3 THR HA H -26.186 -5.701 1.509 1.00 . A A . 3 THR HA 1 1 5 2116 1 1 3 THR HB H -26.341 -2.707 1.673 1.00 . A A . 3 THR HB 1 1 5 2117 1 1 3 THR HG1 H -28.348 -4.356 1.024 1.00 . A A . 3 THR HG1 1 1 5 2118 1 1 3 THR HG21 H -25.666 -2.843 -0.672 1.00 . A A . 3 THR HG21 1 1 5 2119 1 1 3 THR HG22 H -25.721 -4.603 -0.593 1.00 . A A . 3 THR HG22 1 1 5 2120 1 1 3 THR HG23 H -24.526 -3.716 0.351 1.00 . A A . 3 THR HG23 1 1 5 2121 1 1 3 THR N N -27.491 -4.984 2.943 1.00 . A A . 3 THR N 1 1 5 2122 1 1 3 THR O O -24.287 -3.646 2.712 1.00 . A A . 3 THR O 1 1 5 2123 1 1 3 THR OG1 O -27.856 -3.630 0.617 1.00 . A A . 3 THR OG1 1 1 5 2124 1 1 4 LYS C C -23.700 -4.020 5.596 1.00 . A A . 4 LYS C 1 1 5 2125 1 1 4 LYS CA C -23.773 -5.365 4.882 1.00 . A A . 4 LYS CA 1 1 5 2126 1 1 4 LYS CB C -22.461 -5.641 4.140 1.00 . A A . 4 LYS CB 1 1 5 2127 1 1 4 LYS CD C -21.092 -7.255 2.776 1.00 . A A . 4 LYS CD 1 1 5 2128 1 1 4 LYS CE C -20.913 -6.269 1.634 1.00 . A A . 4 LYS CE 1 1 5 2129 1 1 4 LYS CG C -22.399 -7.027 3.518 1.00 . A A . 4 LYS CG 1 1 5 2130 1 1 4 LYS H H -25.594 -6.107 4.091 1.00 . A A . 4 LYS H 1 1 5 2131 1 1 4 LYS HA H -23.922 -6.136 5.623 1.00 . A A . 4 LYS HA 1 1 5 2132 1 1 4 LYS HB2 H -22.345 -4.910 3.355 1.00 . A A . 4 LYS HB2 1 1 5 2133 1 1 4 LYS HB3 H -21.639 -5.545 4.835 1.00 . A A . 4 LYS HB3 1 1 5 2134 1 1 4 LYS HD2 H -20.272 -7.141 3.469 1.00 . A A . 4 LYS HD2 1 1 5 2135 1 1 4 LYS HD3 H -21.088 -8.260 2.377 1.00 . A A . 4 LYS HD3 1 1 5 2136 1 1 4 LYS HE2 H -21.764 -6.343 0.975 1.00 . A A . 4 LYS HE2 1 1 5 2137 1 1 4 LYS HE3 H -20.860 -5.271 2.042 1.00 . A A . 4 LYS HE3 1 1 5 2138 1 1 4 LYS HG2 H -22.487 -7.765 4.301 1.00 . A A . 4 LYS HG2 1 1 5 2139 1 1 4 LYS HG3 H -23.219 -7.135 2.825 1.00 . A A . 4 LYS HG3 1 1 5 2140 1 1 4 LYS HZ1 H -19.550 -5.815 0.121 1.00 . A A . 4 LYS HZ1 1 1 5 2141 1 1 4 LYS HZ2 H -19.738 -7.470 0.396 1.00 . A A . 4 LYS HZ2 1 1 5 2142 1 1 4 LYS HZ3 H -18.847 -6.528 1.483 1.00 . A A . 4 LYS HZ3 1 1 5 2143 1 1 4 LYS N N -24.911 -5.419 3.959 1.00 . A A . 4 LYS N 1 1 5 2144 1 1 4 LYS NZ N -19.676 -6.538 0.856 1.00 . A A . 4 LYS NZ 1 1 5 2145 1 1 4 LYS O O -22.612 -3.554 5.948 1.00 . A A . 4 LYS O 1 1 5 2146 1 1 5 HIS C C -24.427 -0.970 5.643 1.00 . A A . 5 HIS C 1 1 5 2147 1 1 5 HIS CA C -25.001 -2.118 6.485 1.00 . A A . 5 HIS CA 1 1 5 2148 1 1 5 HIS CB C -24.320 -2.178 7.863 1.00 . A A . 5 HIS CB 1 1 5 2149 1 1 5 HIS CD2 C -25.777 -0.555 9.260 1.00 . A A . 5 HIS CD2 1 1 5 2150 1 1 5 HIS CE1 C -24.197 0.794 9.945 1.00 . A A . 5 HIS CE1 1 1 5 2151 1 1 5 HIS CG C -24.610 -1.001 8.741 1.00 . A A . 5 HIS CG 1 1 5 2152 1 1 5 HIS H H -25.685 -3.833 5.447 1.00 . A A . 5 HIS H 1 1 5 2153 1 1 5 HIS HA H -26.056 -1.936 6.629 1.00 . A A . 5 HIS HA 1 1 5 2154 1 1 5 HIS HB2 H -24.657 -3.064 8.382 1.00 . A A . 5 HIS HB2 1 1 5 2155 1 1 5 HIS HB3 H -23.251 -2.235 7.726 1.00 . A A . 5 HIS HB3 1 1 5 2156 1 1 5 HIS HD1 H -22.681 -0.185 8.977 1.00 . A A . 5 HIS HD1 1 1 5 2157 1 1 5 HIS HD2 H -26.751 -0.998 9.114 1.00 . A A . 5 HIS HD2 1 1 5 2158 1 1 5 HIS HE1 H -23.679 1.608 10.429 1.00 . A A . 5 HIS HE1 1 1 5 2159 1 1 5 HIS HE2 H -26.164 1.217 10.300 1.00 . A A . 5 HIS HE2 1 1 5 2160 1 1 5 HIS N N -24.870 -3.404 5.790 1.00 . A A . 5 HIS N 1 1 5 2161 1 1 5 HIS ND1 N -23.639 -0.134 9.189 1.00 . A A . 5 HIS ND1 1 1 5 2162 1 1 5 HIS NE2 N -25.495 0.563 10.003 1.00 . A A . 5 HIS NE2 1 1 5 2163 1 1 5 HIS O O -24.376 0.180 6.088 1.00 . A A . 5 HIS O 1 1 5 2164 1 1 6 GLY C C -21.992 -0.013 3.950 1.00 . A A . 6 GLY C 1 1 5 2165 1 1 6 GLY CA C -23.426 -0.278 3.564 1.00 . A A . 6 GLY CA 1 1 5 2166 1 1 6 GLY H H -24.090 -2.204 4.108 1.00 . A A . 6 GLY H 1 1 5 2167 1 1 6 GLY HA2 H -23.460 -0.623 2.541 1.00 . A A . 6 GLY HA2 1 1 5 2168 1 1 6 GLY HA3 H -23.989 0.639 3.650 1.00 . A A . 6 GLY HA3 1 1 5 2169 1 1 6 GLY N N -24.016 -1.280 4.423 1.00 . A A . 6 GLY N 1 1 5 2170 1 1 6 GLY O O -21.386 -0.827 4.649 1.00 . A A . 6 GLY O 1 1 5 2171 1 1 7 LYS C C -19.118 0.392 3.441 1.00 . A A . 7 LYS C 1 1 5 2172 1 1 7 LYS CA C -20.090 1.505 3.849 1.00 . A A . 7 LYS CA 1 1 5 2173 1 1 7 LYS CB C -20.007 1.804 5.349 1.00 . A A . 7 LYS CB 1 1 5 2174 1 1 7 LYS CD C -17.581 2.346 5.855 1.00 . A A . 7 LYS CD 1 1 5 2175 1 1 7 LYS CE C -17.452 1.360 7.009 1.00 . A A . 7 LYS CE 1 1 5 2176 1 1 7 LYS CG C -18.999 2.882 5.725 1.00 . A A . 7 LYS CG 1 1 5 2177 1 1 7 LYS H H -21.995 1.736 2.980 1.00 . A A . 7 LYS H 1 1 5 2178 1 1 7 LYS HA H -19.849 2.398 3.297 1.00 . A A . 7 LYS HA 1 1 5 2179 1 1 7 LYS HB2 H -20.981 2.127 5.687 1.00 . A A . 7 LYS HB2 1 1 5 2180 1 1 7 LYS HB3 H -19.747 0.894 5.867 1.00 . A A . 7 LYS HB3 1 1 5 2181 1 1 7 LYS HD2 H -17.310 1.847 4.938 1.00 . A A . 7 LYS HD2 1 1 5 2182 1 1 7 LYS HD3 H -16.910 3.175 6.026 1.00 . A A . 7 LYS HD3 1 1 5 2183 1 1 7 LYS HE2 H -17.774 1.845 7.916 1.00 . A A . 7 LYS HE2 1 1 5 2184 1 1 7 LYS HE3 H -18.084 0.509 6.812 1.00 . A A . 7 LYS HE3 1 1 5 2185 1 1 7 LYS HG2 H -19.009 3.645 4.962 1.00 . A A . 7 LYS HG2 1 1 5 2186 1 1 7 LYS HG3 H -19.301 3.313 6.664 1.00 . A A . 7 LYS HG3 1 1 5 2187 1 1 7 LYS HZ1 H -15.721 0.415 6.318 1.00 . A A . 7 LYS HZ1 1 1 5 2188 1 1 7 LYS HZ2 H -15.995 0.220 7.975 1.00 . A A . 7 LYS HZ2 1 1 5 2189 1 1 7 LYS HZ3 H -15.424 1.697 7.383 1.00 . A A . 7 LYS HZ3 1 1 5 2190 1 1 7 LYS N N -21.454 1.125 3.519 1.00 . A A . 7 LYS N 1 1 5 2191 1 1 7 LYS NZ N -16.051 0.890 7.183 1.00 . A A . 7 LYS NZ 1 1 5 2192 1 1 7 LYS O O -18.395 -0.165 4.268 1.00 . A A . 7 LYS O 1 1 5 2193 1 1 8 ASN C C -17.341 -0.517 0.568 1.00 . A A . 8 ASN C 1 1 5 2194 1 1 8 ASN CA C -18.301 -1.027 1.637 1.00 . A A . 8 ASN CA 1 1 5 2195 1 1 8 ASN CB C -19.174 -2.138 1.039 1.00 . A A . 8 ASN CB 1 1 5 2196 1 1 8 ASN CG C -20.129 -2.765 2.040 1.00 . A A . 8 ASN CG 1 1 5 2197 1 1 8 ASN H H -19.728 0.535 1.544 1.00 . A A . 8 ASN H 1 1 5 2198 1 1 8 ASN HA H -17.728 -1.432 2.457 1.00 . A A . 8 ASN HA 1 1 5 2199 1 1 8 ASN HB2 H -19.756 -1.726 0.231 1.00 . A A . 8 ASN HB2 1 1 5 2200 1 1 8 ASN HB3 H -18.530 -2.914 0.649 1.00 . A A . 8 ASN HB3 1 1 5 2201 1 1 8 ASN HD21 H -20.316 -3.283 3.945 1.00 . A A . 8 ASN HD21 1 1 5 2202 1 1 8 ASN HD22 H -18.796 -2.588 3.506 1.00 . A A . 8 ASN HD22 1 1 5 2203 1 1 8 ASN N N -19.133 0.054 2.156 1.00 . A A . 8 ASN N 1 1 5 2204 1 1 8 ASN ND2 N -19.703 -2.896 3.286 1.00 . A A . 8 ASN ND2 1 1 5 2205 1 1 8 ASN O O -16.469 -1.255 0.105 1.00 . A A . 8 ASN O 1 1 5 2206 1 1 8 ASN OD1 O -21.241 -3.150 1.685 1.00 . A A . 8 ASN OD1 1 1 5 2207 1 1 9 SER C C -15.232 1.404 -0.508 1.00 . A A . 9 SER C 1 1 5 2208 1 1 9 SER CA C -16.701 1.330 -0.886 1.00 . A A . 9 SER CA 1 1 5 2209 1 1 9 SER CB C -17.221 2.729 -1.227 1.00 . A A . 9 SER CB 1 1 5 2210 1 1 9 SER H H -18.157 1.308 0.647 1.00 . A A . 9 SER H 1 1 5 2211 1 1 9 SER HA H -16.797 0.699 -1.749 1.00 . A A . 9 SER HA 1 1 5 2212 1 1 9 SER HB2 H -17.064 3.385 -0.385 1.00 . A A . 9 SER HB2 1 1 5 2213 1 1 9 SER HB3 H -16.686 3.110 -2.085 1.00 . A A . 9 SER HB3 1 1 5 2214 1 1 9 SER HG H -18.740 2.234 -2.368 1.00 . A A . 9 SER HG 1 1 5 2215 1 1 9 SER N N -17.496 0.747 0.188 1.00 . A A . 9 SER N 1 1 5 2216 1 1 9 SER O O -14.349 1.296 -1.365 1.00 . A A . 9 SER O 1 1 5 2217 1 1 9 SER OG O -18.608 2.699 -1.531 1.00 . A A . 9 SER OG 1 1 5 2218 1 1 10 TRP C C -12.748 0.512 0.954 1.00 . A A . 10 TRP C 1 1 5 2219 1 1 10 TRP CA C -13.615 1.723 1.263 1.00 . A A . 10 TRP CA 1 1 5 2220 1 1 10 TRP CB C -13.578 1.934 2.768 1.00 . A A . 10 TRP CB 1 1 5 2221 1 1 10 TRP CD1 C -15.419 0.475 3.771 1.00 . A A . 10 TRP CD1 1 1 5 2222 1 1 10 TRP CD2 C -13.340 -0.215 4.072 1.00 . A A . 10 TRP CD2 1 1 5 2223 1 1 10 TRP CE2 C -14.179 -1.128 4.704 1.00 . A A . 10 TRP CE2 1 1 5 2224 1 1 10 TRP CE3 C -11.982 -0.399 4.092 1.00 . A A . 10 TRP CE3 1 1 5 2225 1 1 10 TRP CG C -14.125 0.789 3.516 1.00 . A A . 10 TRP CG 1 1 5 2226 1 1 10 TRP CH2 C -12.313 -2.397 5.366 1.00 . A A . 10 TRP CH2 1 1 5 2227 1 1 10 TRP CZ2 C -13.674 -2.240 5.359 1.00 . A A . 10 TRP CZ2 1 1 5 2228 1 1 10 TRP CZ3 C -11.478 -1.481 4.728 1.00 . A A . 10 TRP CZ3 1 1 5 2229 1 1 10 TRP H H -15.719 1.592 1.419 1.00 . A A . 10 TRP H 1 1 5 2230 1 1 10 TRP HA H -13.191 2.587 0.781 1.00 . A A . 10 TRP HA 1 1 5 2231 1 1 10 TRP HB2 H -12.548 2.049 3.071 1.00 . A A . 10 TRP HB2 1 1 5 2232 1 1 10 TRP HB3 H -14.105 2.800 3.046 1.00 . A A . 10 TRP HB3 1 1 5 2233 1 1 10 TRP HD1 H -16.261 1.062 3.442 1.00 . A A . 10 TRP HD1 1 1 5 2234 1 1 10 TRP HE1 H -16.287 -1.132 4.838 1.00 . A A . 10 TRP HE1 1 1 5 2235 1 1 10 TRP HE3 H -11.327 0.289 3.581 1.00 . A A . 10 TRP HE3 1 1 5 2236 1 1 10 TRP HH2 H -11.868 -3.239 5.859 1.00 . A A . 10 TRP HH2 1 1 5 2237 1 1 10 TRP HZ2 H -14.306 -2.954 5.844 1.00 . A A . 10 TRP HZ2 1 1 5 2238 1 1 10 TRP HZ3 H -10.421 -1.619 4.747 1.00 . A A . 10 TRP HZ3 1 1 5 2239 1 1 10 TRP N N -14.973 1.565 0.779 1.00 . A A . 10 TRP N 1 1 5 2240 1 1 10 TRP NE1 N -15.469 -0.689 4.511 1.00 . A A . 10 TRP NE1 1 1 5 2241 1 1 10 TRP O O -11.577 0.651 0.723 1.00 . A A . 10 TRP O 1 1 5 2242 1 1 11 LYS C C -11.642 -1.883 -0.375 1.00 . A A . 11 LYS C 1 1 5 2243 1 1 11 LYS CA C -12.500 -1.890 0.878 1.00 . A A . 11 LYS CA 1 1 5 2244 1 1 11 LYS CB C -13.403 -3.094 0.840 1.00 . A A . 11 LYS CB 1 1 5 2245 1 1 11 LYS CD C -15.281 -4.385 1.881 1.00 . A A . 11 LYS CD 1 1 5 2246 1 1 11 LYS CE C -14.466 -5.657 1.857 1.00 . A A . 11 LYS CE 1 1 5 2247 1 1 11 LYS CG C -14.382 -3.170 1.995 1.00 . A A . 11 LYS CG 1 1 5 2248 1 1 11 LYS H H -14.285 -0.746 1.061 1.00 . A A . 11 LYS H 1 1 5 2249 1 1 11 LYS HA H -11.853 -1.950 1.750 1.00 . A A . 11 LYS HA 1 1 5 2250 1 1 11 LYS HB2 H -13.964 -3.084 -0.084 1.00 . A A . 11 LYS HB2 1 1 5 2251 1 1 11 LYS HB3 H -12.780 -3.954 0.861 1.00 . A A . 11 LYS HB3 1 1 5 2252 1 1 11 LYS HD2 H -15.946 -4.411 2.728 1.00 . A A . 11 LYS HD2 1 1 5 2253 1 1 11 LYS HD3 H -15.854 -4.315 0.970 1.00 . A A . 11 LYS HD3 1 1 5 2254 1 1 11 LYS HE2 H -13.831 -5.638 0.980 1.00 . A A . 11 LYS HE2 1 1 5 2255 1 1 11 LYS HE3 H -13.853 -5.685 2.747 1.00 . A A . 11 LYS HE3 1 1 5 2256 1 1 11 LYS HG2 H -13.829 -3.231 2.921 1.00 . A A . 11 LYS HG2 1 1 5 2257 1 1 11 LYS HG3 H -14.994 -2.280 1.997 1.00 . A A . 11 LYS HG3 1 1 5 2258 1 1 11 LYS HZ1 H -15.842 -6.913 0.912 1.00 . A A . 11 LYS HZ1 1 1 5 2259 1 1 11 LYS HZ2 H -16.008 -6.858 2.594 1.00 . A A . 11 LYS HZ2 1 1 5 2260 1 1 11 LYS HZ3 H -14.735 -7.728 1.900 1.00 . A A . 11 LYS HZ3 1 1 5 2261 1 1 11 LYS N N -13.310 -0.676 0.977 1.00 . A A . 11 LYS N 1 1 5 2262 1 1 11 LYS NZ N -15.321 -6.874 1.813 1.00 . A A . 11 LYS NZ 1 1 5 2263 1 1 11 LYS O O -10.475 -2.271 -0.369 1.00 . A A . 11 LYS O 1 1 5 2264 1 1 12 THR C C -10.545 -0.186 -2.667 1.00 . A A . 12 THR C 1 1 5 2265 1 1 12 THR CA C -11.609 -1.289 -2.714 1.00 . A A . 12 THR CA 1 1 5 2266 1 1 12 THR CB C -12.730 -0.993 -3.712 1.00 . A A . 12 THR CB 1 1 5 2267 1 1 12 THR CG2 C -12.415 0.159 -4.652 1.00 . A A . 12 THR CG2 1 1 5 2268 1 1 12 THR H H -13.180 -1.136 -1.343 1.00 . A A . 12 THR H 1 1 5 2269 1 1 12 THR HA H -11.150 -2.230 -2.973 1.00 . A A . 12 THR HA 1 1 5 2270 1 1 12 THR HB H -13.592 -0.726 -3.108 1.00 . A A . 12 THR HB 1 1 5 2271 1 1 12 THR HG1 H -12.498 -2.206 -5.255 1.00 . A A . 12 THR HG1 1 1 5 2272 1 1 12 THR HG21 H -13.252 0.320 -5.314 1.00 . A A . 12 THR HG21 1 1 5 2273 1 1 12 THR HG22 H -11.534 -0.074 -5.229 1.00 . A A . 12 THR HG22 1 1 5 2274 1 1 12 THR HG23 H -12.241 1.056 -4.073 1.00 . A A . 12 THR HG23 1 1 5 2275 1 1 12 THR N N -12.247 -1.420 -1.431 1.00 . A A . 12 THR N 1 1 5 2276 1 1 12 THR O O -9.471 -0.301 -3.261 1.00 . A A . 12 THR O 1 1 5 2277 1 1 12 THR OG1 O -13.046 -2.176 -4.460 1.00 . A A . 12 THR OG1 1 1 5 2278 1 1 13 LEU C C -8.780 1.352 -0.743 1.00 . A A . 13 LEU C 1 1 5 2279 1 1 13 LEU CA C -9.910 1.919 -1.588 1.00 . A A . 13 LEU CA 1 1 5 2280 1 1 13 LEU CB C -10.657 2.992 -0.779 1.00 . A A . 13 LEU CB 1 1 5 2281 1 1 13 LEU CD1 C -9.738 5.018 0.393 1.00 . A A . 13 LEU CD1 1 1 5 2282 1 1 13 LEU CD2 C -10.677 3.136 1.756 1.00 . A A . 13 LEU CD2 1 1 5 2283 1 1 13 LEU CG C -9.929 3.513 0.474 1.00 . A A . 13 LEU CG 1 1 5 2284 1 1 13 LEU H H -11.773 0.931 -1.571 1.00 . A A . 13 LEU H 1 1 5 2285 1 1 13 LEU HA H -9.512 2.343 -2.500 1.00 . A A . 13 LEU HA 1 1 5 2286 1 1 13 LEU HB2 H -10.862 3.825 -1.429 1.00 . A A . 13 LEU HB2 1 1 5 2287 1 1 13 LEU HB3 H -11.599 2.559 -0.465 1.00 . A A . 13 LEU HB3 1 1 5 2288 1 1 13 LEU HD11 H -10.701 5.499 0.314 1.00 . A A . 13 LEU HD11 1 1 5 2289 1 1 13 LEU HD12 H -9.142 5.261 -0.474 1.00 . A A . 13 LEU HD12 1 1 5 2290 1 1 13 LEU HD13 H -9.235 5.367 1.284 1.00 . A A . 13 LEU HD13 1 1 5 2291 1 1 13 LEU HD21 H -10.805 2.053 1.806 1.00 . A A . 13 LEU HD21 1 1 5 2292 1 1 13 LEU HD22 H -11.650 3.605 1.764 1.00 . A A . 13 LEU HD22 1 1 5 2293 1 1 13 LEU HD23 H -10.114 3.463 2.616 1.00 . A A . 13 LEU HD23 1 1 5 2294 1 1 13 LEU HG H -8.956 3.055 0.520 1.00 . A A . 13 LEU HG 1 1 5 2295 1 1 13 LEU N N -10.858 0.862 -1.924 1.00 . A A . 13 LEU N 1 1 5 2296 1 1 13 LEU O O -7.620 1.747 -0.850 1.00 . A A . 13 LEU O 1 1 5 2297 1 1 14 TYR C C -7.231 -0.994 0.630 1.00 . A A . 14 TYR C 1 1 5 2298 1 1 14 TYR CA C -8.325 -0.086 1.144 1.00 . A A . 14 TYR CA 1 1 5 2299 1 1 14 TYR CB C -9.190 -0.835 2.138 1.00 . A A . 14 TYR CB 1 1 5 2300 1 1 14 TYR CD1 C -8.236 -0.394 4.391 1.00 . A A . 14 TYR CD1 1 1 5 2301 1 1 14 TYR CD2 C -7.844 -2.509 3.383 1.00 . A A . 14 TYR CD2 1 1 5 2302 1 1 14 TYR CE1 C -7.482 -0.767 5.481 1.00 . A A . 14 TYR CE1 1 1 5 2303 1 1 14 TYR CE2 C -7.095 -2.904 4.458 1.00 . A A . 14 TYR CE2 1 1 5 2304 1 1 14 TYR CG C -8.423 -1.261 3.337 1.00 . A A . 14 TYR CG 1 1 5 2305 1 1 14 TYR CZ C -6.909 -2.028 5.515 1.00 . A A . 14 TYR CZ 1 1 5 2306 1 1 14 TYR H H -10.061 0.039 -0.014 1.00 . A A . 14 TYR H 1 1 5 2307 1 1 14 TYR HA H -7.877 0.759 1.639 1.00 . A A . 14 TYR HA 1 1 5 2308 1 1 14 TYR HB2 H -9.991 -0.195 2.459 1.00 . A A . 14 TYR HB2 1 1 5 2309 1 1 14 TYR HB3 H -9.598 -1.717 1.668 1.00 . A A . 14 TYR HB3 1 1 5 2310 1 1 14 TYR HD1 H -8.709 0.587 4.357 1.00 . A A . 14 TYR HD1 1 1 5 2311 1 1 14 TYR HD2 H -8.000 -3.186 2.556 1.00 . A A . 14 TYR HD2 1 1 5 2312 1 1 14 TYR HE1 H -7.336 -0.074 6.292 1.00 . A A . 14 TYR HE1 1 1 5 2313 1 1 14 TYR HE2 H -6.652 -3.888 4.464 1.00 . A A . 14 TYR HE2 1 1 5 2314 1 1 14 TYR HH H -5.398 -2.922 6.304 1.00 . A A . 14 TYR HH 1 1 5 2315 1 1 14 TYR N N -9.156 0.409 0.083 1.00 . A A . 14 TYR N 1 1 5 2316 1 1 14 TYR O O -6.086 -0.886 1.042 1.00 . A A . 14 TYR O 1 1 5 2317 1 1 14 TYR OH O -6.157 -2.409 6.604 1.00 . A A . 14 TYR OH 1 1 5 2318 1 1 15 LEU C C -5.703 -2.069 -1.773 1.00 . A A . 15 LEU C 1 1 5 2319 1 1 15 LEU CA C -6.614 -2.814 -0.810 1.00 . A A . 15 LEU CA 1 1 5 2320 1 1 15 LEU CB C -7.316 -3.974 -1.497 1.00 . A A . 15 LEU CB 1 1 5 2321 1 1 15 LEU CD1 C -9.301 -5.498 -1.567 1.00 . A A . 15 LEU CD1 1 1 5 2322 1 1 15 LEU CD2 C -7.879 -5.396 0.485 1.00 . A A . 15 LEU CD2 1 1 5 2323 1 1 15 LEU CG C -8.443 -4.605 -0.686 1.00 . A A . 15 LEU CG 1 1 5 2324 1 1 15 LEU H H -8.510 -1.924 -0.572 1.00 . A A . 15 LEU H 1 1 5 2325 1 1 15 LEU HA H -6.028 -3.192 0.011 1.00 . A A . 15 LEU HA 1 1 5 2326 1 1 15 LEU HB2 H -7.712 -3.635 -2.443 1.00 . A A . 15 LEU HB2 1 1 5 2327 1 1 15 LEU HB3 H -6.579 -4.736 -1.678 1.00 . A A . 15 LEU HB3 1 1 5 2328 1 1 15 LEU HD11 H -8.688 -6.272 -1.999 1.00 . A A . 15 LEU HD11 1 1 5 2329 1 1 15 LEU HD12 H -9.742 -4.906 -2.355 1.00 . A A . 15 LEU HD12 1 1 5 2330 1 1 15 LEU HD13 H -10.082 -5.946 -0.971 1.00 . A A . 15 LEU HD13 1 1 5 2331 1 1 15 LEU HD21 H -7.287 -4.744 1.109 1.00 . A A . 15 LEU HD21 1 1 5 2332 1 1 15 LEU HD22 H -7.261 -6.198 0.112 1.00 . A A . 15 LEU HD22 1 1 5 2333 1 1 15 LEU HD23 H -8.692 -5.809 1.065 1.00 . A A . 15 LEU HD23 1 1 5 2334 1 1 15 LEU HG H -9.067 -3.820 -0.290 1.00 . A A . 15 LEU HG 1 1 5 2335 1 1 15 LEU N N -7.584 -1.887 -0.267 1.00 . A A . 15 LEU N 1 1 5 2336 1 1 15 LEU O O -4.642 -2.557 -2.167 1.00 . A A . 15 LEU O 1 1 5 2337 1 1 16 LYS C C -4.367 0.735 -1.884 1.00 . A A . 16 LYS C 1 1 5 2338 1 1 16 LYS CA C -5.331 0.074 -2.868 1.00 . A A . 16 LYS CA 1 1 5 2339 1 1 16 LYS CB C -6.263 1.097 -3.537 1.00 . A A . 16 LYS CB 1 1 5 2340 1 1 16 LYS CD C -5.434 3.399 -3.070 1.00 . A A . 16 LYS CD 1 1 5 2341 1 1 16 LYS CE C -4.786 4.652 -3.642 1.00 . A A . 16 LYS CE 1 1 5 2342 1 1 16 LYS CG C -5.568 2.314 -4.118 1.00 . A A . 16 LYS CG 1 1 5 2343 1 1 16 LYS H H -7.049 -0.602 -1.883 1.00 . A A . 16 LYS H 1 1 5 2344 1 1 16 LYS HA H -4.773 -0.462 -3.621 1.00 . A A . 16 LYS HA 1 1 5 2345 1 1 16 LYS HB2 H -6.812 0.613 -4.328 1.00 . A A . 16 LYS HB2 1 1 5 2346 1 1 16 LYS HB3 H -6.969 1.445 -2.798 1.00 . A A . 16 LYS HB3 1 1 5 2347 1 1 16 LYS HD2 H -6.416 3.643 -2.697 1.00 . A A . 16 LYS HD2 1 1 5 2348 1 1 16 LYS HD3 H -4.825 3.019 -2.257 1.00 . A A . 16 LYS HD3 1 1 5 2349 1 1 16 LYS HE2 H -3.770 4.418 -3.922 1.00 . A A . 16 LYS HE2 1 1 5 2350 1 1 16 LYS HE3 H -5.337 4.957 -4.517 1.00 . A A . 16 LYS HE3 1 1 5 2351 1 1 16 LYS HG2 H -4.585 2.028 -4.460 1.00 . A A . 16 LYS HG2 1 1 5 2352 1 1 16 LYS HG3 H -6.149 2.691 -4.945 1.00 . A A . 16 LYS HG3 1 1 5 2353 1 1 16 LYS HZ1 H -4.236 5.498 -1.814 1.00 . A A . 16 LYS HZ1 1 1 5 2354 1 1 16 LYS HZ2 H -5.741 6.016 -2.384 1.00 . A A . 16 LYS HZ2 1 1 5 2355 1 1 16 LYS HZ3 H -4.323 6.608 -3.085 1.00 . A A . 16 LYS HZ3 1 1 5 2356 1 1 16 LYS N N -6.141 -0.870 -2.136 1.00 . A A . 16 LYS N 1 1 5 2357 1 1 16 LYS NZ N -4.772 5.770 -2.664 1.00 . A A . 16 LYS NZ 1 1 5 2358 1 1 16 LYS O O -3.193 0.961 -2.186 1.00 . A A . 16 LYS O 1 1 5 2359 1 1 17 ILE C C -3.018 0.533 0.800 1.00 . A A . 17 ILE C 1 1 5 2360 1 1 17 ILE CA C -4.098 1.538 0.404 1.00 . A A . 17 ILE CA 1 1 5 2361 1 1 17 ILE CB C -5.023 1.856 1.605 1.00 . A A . 17 ILE CB 1 1 5 2362 1 1 17 ILE CD1 C -6.660 3.599 2.502 1.00 . A A . 17 ILE CD1 1 1 5 2363 1 1 17 ILE CG1 C -5.662 3.237 1.421 1.00 . A A . 17 ILE CG1 1 1 5 2364 1 1 17 ILE CG2 C -4.289 1.764 2.931 1.00 . A A . 17 ILE CG2 1 1 5 2365 1 1 17 ILE H H -5.842 0.876 -0.546 1.00 . A A . 17 ILE H 1 1 5 2366 1 1 17 ILE HA H -3.634 2.449 0.077 1.00 . A A . 17 ILE HA 1 1 5 2367 1 1 17 ILE HB H -5.807 1.116 1.617 1.00 . A A . 17 ILE HB 1 1 5 2368 1 1 17 ILE HD11 H -7.055 4.586 2.311 1.00 . A A . 17 ILE HD11 1 1 5 2369 1 1 17 ILE HD12 H -6.172 3.587 3.464 1.00 . A A . 17 ILE HD12 1 1 5 2370 1 1 17 ILE HD13 H -7.468 2.882 2.500 1.00 . A A . 17 ILE HD13 1 1 5 2371 1 1 17 ILE HG12 H -4.886 3.987 1.426 1.00 . A A . 17 ILE HG12 1 1 5 2372 1 1 17 ILE HG13 H -6.176 3.263 0.471 1.00 . A A . 17 ILE HG13 1 1 5 2373 1 1 17 ILE HG21 H -3.564 2.558 3.000 1.00 . A A . 17 ILE HG21 1 1 5 2374 1 1 17 ILE HG22 H -3.789 0.811 2.989 1.00 . A A . 17 ILE HG22 1 1 5 2375 1 1 17 ILE HG23 H -5.002 1.847 3.742 1.00 . A A . 17 ILE HG23 1 1 5 2376 1 1 17 ILE N N -4.885 1.020 -0.693 1.00 . A A . 17 ILE N 1 1 5 2377 1 1 17 ILE O O -1.851 0.886 0.971 1.00 . A A . 17 ILE O 1 1 5 2378 1 1 18 SER C C -1.460 -1.971 0.131 1.00 . A A . 18 SER C 1 1 5 2379 1 1 18 SER CA C -2.514 -1.817 1.223 1.00 . A A . 18 SER CA 1 1 5 2380 1 1 18 SER CB C -3.302 -3.119 1.351 1.00 . A A . 18 SER CB 1 1 5 2381 1 1 18 SER H H -4.378 -0.925 0.766 1.00 . A A . 18 SER H 1 1 5 2382 1 1 18 SER HA H -2.029 -1.595 2.160 1.00 . A A . 18 SER HA 1 1 5 2383 1 1 18 SER HB2 H -3.647 -3.424 0.370 1.00 . A A . 18 SER HB2 1 1 5 2384 1 1 18 SER HB3 H -2.662 -3.886 1.761 1.00 . A A . 18 SER HB3 1 1 5 2385 1 1 18 SER HG H -4.163 -2.439 2.981 1.00 . A A . 18 SER HG 1 1 5 2386 1 1 18 SER N N -3.423 -0.725 0.901 1.00 . A A . 18 SER N 1 1 5 2387 1 1 18 SER O O -0.337 -2.412 0.387 1.00 . A A . 18 SER O 1 1 5 2388 1 1 18 SER OG O -4.423 -2.957 2.206 1.00 . A A . 18 SER OG 1 1 5 2389 1 1 19 PHE C C 0.138 -0.721 -2.229 1.00 . A A . 19 PHE C 1 1 5 2390 1 1 19 PHE CA C -0.977 -1.757 -2.240 1.00 . A A . 19 PHE CA 1 1 5 2391 1 1 19 PHE CB C -1.797 -1.627 -3.521 1.00 . A A . 19 PHE CB 1 1 5 2392 1 1 19 PHE CD1 C -0.283 -1.163 -5.463 1.00 . A A . 19 PHE CD1 1 1 5 2393 1 1 19 PHE CD2 C -1.139 -3.369 -5.176 1.00 . A A . 19 PHE CD2 1 1 5 2394 1 1 19 PHE CE1 C 0.400 -1.568 -6.593 1.00 . A A . 19 PHE CE1 1 1 5 2395 1 1 19 PHE CE2 C -0.459 -3.785 -6.305 1.00 . A A . 19 PHE CE2 1 1 5 2396 1 1 19 PHE CG C -1.056 -2.060 -4.745 1.00 . A A . 19 PHE CG 1 1 5 2397 1 1 19 PHE CZ C 0.310 -2.882 -7.015 1.00 . A A . 19 PHE CZ 1 1 5 2398 1 1 19 PHE H H -2.725 -1.202 -1.205 1.00 . A A . 19 PHE H 1 1 5 2399 1 1 19 PHE HA H -0.539 -2.743 -2.200 1.00 . A A . 19 PHE HA 1 1 5 2400 1 1 19 PHE HB2 H -2.683 -2.237 -3.436 1.00 . A A . 19 PHE HB2 1 1 5 2401 1 1 19 PHE HB3 H -2.088 -0.594 -3.652 1.00 . A A . 19 PHE HB3 1 1 5 2402 1 1 19 PHE HD1 H -0.211 -0.135 -5.126 1.00 . A A . 19 PHE HD1 1 1 5 2403 1 1 19 PHE HD2 H -1.742 -4.072 -4.613 1.00 . A A . 19 PHE HD2 1 1 5 2404 1 1 19 PHE HE1 H 1.000 -0.861 -7.146 1.00 . A A . 19 PHE HE1 1 1 5 2405 1 1 19 PHE HE2 H -0.530 -4.811 -6.634 1.00 . A A . 19 PHE HE2 1 1 5 2406 1 1 19 PHE HZ H 0.843 -3.204 -7.899 1.00 . A A . 19 PHE HZ 1 1 5 2407 1 1 19 PHE N N -1.836 -1.598 -1.084 1.00 . A A . 19 PHE N 1 1 5 2408 1 1 19 PHE O O 1.316 -1.067 -2.187 1.00 . A A . 19 PHE O 1 1 5 2409 1 1 20 LEU C C 1.483 1.676 -0.927 1.00 . A A . 20 LEU C 1 1 5 2410 1 1 20 LEU CA C 0.741 1.624 -2.252 1.00 . A A . 20 LEU CA 1 1 5 2411 1 1 20 LEU CB C 0.077 2.967 -2.548 1.00 . A A . 20 LEU CB 1 1 5 2412 1 1 20 LEU CD1 C -1.312 2.310 -4.530 1.00 . A A . 20 LEU CD1 1 1 5 2413 1 1 20 LEU CD2 C -0.629 4.694 -4.225 1.00 . A A . 20 LEU CD2 1 1 5 2414 1 1 20 LEU CG C -0.227 3.241 -4.023 1.00 . A A . 20 LEU CG 1 1 5 2415 1 1 20 LEU H H -1.193 0.768 -2.287 1.00 . A A . 20 LEU H 1 1 5 2416 1 1 20 LEU HA H 1.457 1.413 -3.034 1.00 . A A . 20 LEU HA 1 1 5 2417 1 1 20 LEU HB2 H -0.853 3.002 -2.004 1.00 . A A . 20 LEU HB2 1 1 5 2418 1 1 20 LEU HB3 H 0.719 3.750 -2.184 1.00 . A A . 20 LEU HB3 1 1 5 2419 1 1 20 LEU HD11 H -2.252 2.566 -4.066 1.00 . A A . 20 LEU HD11 1 1 5 2420 1 1 20 LEU HD12 H -1.052 1.294 -4.274 1.00 . A A . 20 LEU HD12 1 1 5 2421 1 1 20 LEU HD13 H -1.397 2.401 -5.604 1.00 . A A . 20 LEU HD13 1 1 5 2422 1 1 20 LEU HD21 H -1.522 4.904 -3.656 1.00 . A A . 20 LEU HD21 1 1 5 2423 1 1 20 LEU HD22 H -0.820 4.873 -5.273 1.00 . A A . 20 LEU HD22 1 1 5 2424 1 1 20 LEU HD23 H 0.172 5.338 -3.889 1.00 . A A . 20 LEU HD23 1 1 5 2425 1 1 20 LEU HG H 0.664 3.056 -4.604 1.00 . A A . 20 LEU HG 1 1 5 2426 1 1 20 LEU N N -0.236 0.548 -2.255 1.00 . A A . 20 LEU N 1 1 5 2427 1 1 20 LEU O O 2.623 2.122 -0.864 1.00 . A A . 20 LEU O 1 1 5 2428 1 1 21 GLY C C 2.582 0.008 1.367 1.00 . A A . 21 GLY C 1 1 5 2429 1 1 21 GLY CA C 1.512 1.081 1.410 1.00 . A A . 21 GLY CA 1 1 5 2430 1 1 21 GLY H H -0.107 0.949 0.053 1.00 . A A . 21 GLY H 1 1 5 2431 1 1 21 GLY HA2 H 1.970 2.027 1.658 1.00 . A A . 21 GLY HA2 1 1 5 2432 1 1 21 GLY HA3 H 0.789 0.828 2.170 1.00 . A A . 21 GLY HA3 1 1 5 2433 1 1 21 GLY N N 0.838 1.204 0.134 1.00 . A A . 21 GLY N 1 1 5 2434 1 1 21 GLY O O 3.539 0.032 2.139 1.00 . A A . 21 GLY O 1 1 5 2435 1 1 22 CYS C C 4.491 -1.494 -0.696 1.00 . A A . 22 CYS C 1 1 5 2436 1 1 22 CYS CA C 3.392 -1.986 0.236 1.00 . A A . 22 CYS CA 1 1 5 2437 1 1 22 CYS CB C 2.720 -3.227 -0.354 1.00 . A A . 22 CYS CB 1 1 5 2438 1 1 22 CYS H H 1.607 -0.922 -0.102 1.00 . A A . 22 CYS H 1 1 5 2439 1 1 22 CYS HA H 3.828 -2.239 1.192 1.00 . A A . 22 CYS HA 1 1 5 2440 1 1 22 CYS HB2 H 1.914 -3.533 0.295 1.00 . A A . 22 CYS HB2 1 1 5 2441 1 1 22 CYS HB3 H 2.318 -2.980 -1.326 1.00 . A A . 22 CYS HB3 1 1 5 2442 1 1 22 CYS HG H 5.033 -4.169 -0.837 1.00 . A A . 22 CYS HG 1 1 5 2443 1 1 22 CYS N N 2.416 -0.934 0.449 1.00 . A A . 22 CYS N 1 1 5 2444 1 1 22 CYS O O 5.566 -2.081 -0.767 1.00 . A A . 22 CYS O 1 1 5 2445 1 1 22 CYS SG S 3.823 -4.640 -0.560 1.00 . A A . 22 CYS SG 1 1 5 2446 1 1 23 LYS C C 6.015 1.213 -1.494 1.00 . A A . 23 LYS C 1 1 5 2447 1 1 23 LYS CA C 5.218 0.185 -2.278 1.00 . A A . 23 LYS CA 1 1 5 2448 1 1 23 LYS CB C 4.564 0.825 -3.506 1.00 . A A . 23 LYS CB 1 1 5 2449 1 1 23 LYS CD C 4.850 1.875 -5.771 1.00 . A A . 23 LYS CD 1 1 5 2450 1 1 23 LYS CE C 5.836 2.219 -6.880 1.00 . A A . 23 LYS CE 1 1 5 2451 1 1 23 LYS CG C 5.555 1.280 -4.564 1.00 . A A . 23 LYS CG 1 1 5 2452 1 1 23 LYS H H 3.304 -0.043 -1.399 1.00 . A A . 23 LYS H 1 1 5 2453 1 1 23 LYS HA H 5.891 -0.590 -2.594 1.00 . A A . 23 LYS HA 1 1 5 2454 1 1 23 LYS HB2 H 3.893 0.106 -3.956 1.00 . A A . 23 LYS HB2 1 1 5 2455 1 1 23 LYS HB3 H 3.992 1.683 -3.186 1.00 . A A . 23 LYS HB3 1 1 5 2456 1 1 23 LYS HD2 H 4.136 1.159 -6.148 1.00 . A A . 23 LYS HD2 1 1 5 2457 1 1 23 LYS HD3 H 4.335 2.774 -5.467 1.00 . A A . 23 LYS HD3 1 1 5 2458 1 1 23 LYS HE2 H 6.562 2.919 -6.495 1.00 . A A . 23 LYS HE2 1 1 5 2459 1 1 23 LYS HE3 H 6.339 1.314 -7.188 1.00 . A A . 23 LYS HE3 1 1 5 2460 1 1 23 LYS HG2 H 6.206 2.026 -4.136 1.00 . A A . 23 LYS HG2 1 1 5 2461 1 1 23 LYS HG3 H 6.141 0.429 -4.882 1.00 . A A . 23 LYS HG3 1 1 5 2462 1 1 23 LYS HZ1 H 4.405 2.193 -8.397 1.00 . A A . 23 LYS HZ1 1 1 5 2463 1 1 23 LYS HZ2 H 5.843 2.966 -8.830 1.00 . A A . 23 LYS HZ2 1 1 5 2464 1 1 23 LYS HZ3 H 4.745 3.739 -7.804 1.00 . A A . 23 LYS HZ3 1 1 5 2465 1 1 23 LYS N N 4.213 -0.422 -1.423 1.00 . A A . 23 LYS N 1 1 5 2466 1 1 23 LYS NZ N 5.161 2.821 -8.059 1.00 . A A . 23 LYS NZ 1 1 5 2467 1 1 23 LYS O O 7.236 1.306 -1.614 1.00 . A A . 23 LYS O 1 1 5 2468 1 1 24 VAL C C 6.449 2.320 1.490 1.00 . A A . 24 VAL C 1 1 5 2469 1 1 24 VAL CA C 5.950 2.956 0.176 1.00 . A A . 24 VAL CA 1 1 5 2470 1 1 24 VAL CB C 4.983 4.137 0.416 1.00 . A A . 24 VAL CB 1 1 5 2471 1 1 24 VAL CG1 C 5.581 5.210 1.301 1.00 . A A . 24 VAL CG1 1 1 5 2472 1 1 24 VAL CG2 C 4.578 4.730 -0.920 1.00 . A A . 24 VAL CG2 1 1 5 2473 1 1 24 VAL H H 4.344 1.840 -0.604 1.00 . A A . 24 VAL H 1 1 5 2474 1 1 24 VAL HA H 6.809 3.331 -0.372 1.00 . A A . 24 VAL HA 1 1 5 2475 1 1 24 VAL HB H 4.107 3.763 0.893 1.00 . A A . 24 VAL HB 1 1 5 2476 1 1 24 VAL HG11 H 5.945 4.756 2.210 1.00 . A A . 24 VAL HG11 1 1 5 2477 1 1 24 VAL HG12 H 4.826 5.942 1.539 1.00 . A A . 24 VAL HG12 1 1 5 2478 1 1 24 VAL HG13 H 6.396 5.685 0.786 1.00 . A A . 24 VAL HG13 1 1 5 2479 1 1 24 VAL HG21 H 5.468 5.004 -1.472 1.00 . A A . 24 VAL HG21 1 1 5 2480 1 1 24 VAL HG22 H 3.968 5.606 -0.757 1.00 . A A . 24 VAL HG22 1 1 5 2481 1 1 24 VAL HG23 H 4.019 3.997 -1.481 1.00 . A A . 24 VAL HG23 1 1 5 2482 1 1 24 VAL N N 5.319 1.955 -0.656 1.00 . A A . 24 VAL N 1 1 5 2483 1 1 24 VAL O O 6.787 2.991 2.462 1.00 . A A . 24 VAL O 1 1 5 2484 1 1 25 VAL C C 8.646 0.038 2.012 1.00 . A A . 25 VAL C 1 1 5 2485 1 1 25 VAL CA C 7.238 0.302 2.537 1.00 . A A . 25 VAL CA 1 1 5 2486 1 1 25 VAL CB C 6.564 -1.030 2.916 1.00 . A A . 25 VAL CB 1 1 5 2487 1 1 25 VAL CG1 C 6.894 -2.120 1.909 1.00 . A A . 25 VAL CG1 1 1 5 2488 1 1 25 VAL CG2 C 6.949 -1.454 4.323 1.00 . A A . 25 VAL CG2 1 1 5 2489 1 1 25 VAL H H 6.001 0.496 0.833 1.00 . A A . 25 VAL H 1 1 5 2490 1 1 25 VAL HA H 7.293 0.933 3.413 1.00 . A A . 25 VAL HA 1 1 5 2491 1 1 25 VAL HB H 5.501 -0.870 2.896 1.00 . A A . 25 VAL HB 1 1 5 2492 1 1 25 VAL HG11 H 7.968 -2.235 1.846 1.00 . A A . 25 VAL HG11 1 1 5 2493 1 1 25 VAL HG12 H 6.509 -1.839 0.937 1.00 . A A . 25 VAL HG12 1 1 5 2494 1 1 25 VAL HG13 H 6.447 -3.050 2.221 1.00 . A A . 25 VAL HG13 1 1 5 2495 1 1 25 VAL HG21 H 6.605 -0.711 5.028 1.00 . A A . 25 VAL HG21 1 1 5 2496 1 1 25 VAL HG22 H 8.023 -1.544 4.391 1.00 . A A . 25 VAL HG22 1 1 5 2497 1 1 25 VAL HG23 H 6.489 -2.405 4.550 1.00 . A A . 25 VAL HG23 1 1 5 2498 1 1 25 VAL N N 6.491 1.005 1.511 1.00 . A A . 25 VAL N 1 1 5 2499 1 1 25 VAL O O 9.614 -0.070 2.768 1.00 . A A . 25 VAL O 1 1 5 2500 1 1 26 VAL C C 10.917 0.766 -0.018 1.00 . A A . 26 VAL C 1 1 5 2501 1 1 26 VAL CA C 9.949 -0.389 -0.015 1.00 . A A . 26 VAL CA 1 1 5 2502 1 1 26 VAL CB C 9.631 -0.758 -1.474 1.00 . A A . 26 VAL CB 1 1 5 2503 1 1 26 VAL CG1 C 10.900 -1.078 -2.250 1.00 . A A . 26 VAL CG1 1 1 5 2504 1 1 26 VAL CG2 C 8.658 -1.924 -1.532 1.00 . A A . 26 VAL CG2 1 1 5 2505 1 1 26 VAL H H 7.931 0.161 0.155 1.00 . A A . 26 VAL H 1 1 5 2506 1 1 26 VAL HA H 10.395 -1.232 0.468 1.00 . A A . 26 VAL HA 1 1 5 2507 1 1 26 VAL HB H 9.158 0.104 -1.930 1.00 . A A . 26 VAL HB 1 1 5 2508 1 1 26 VAL HG11 H 10.647 -1.309 -3.273 1.00 . A A . 26 VAL HG11 1 1 5 2509 1 1 26 VAL HG12 H 11.392 -1.927 -1.799 1.00 . A A . 26 VAL HG12 1 1 5 2510 1 1 26 VAL HG13 H 11.560 -0.225 -2.225 1.00 . A A . 26 VAL HG13 1 1 5 2511 1 1 26 VAL HG21 H 9.108 -2.791 -1.072 1.00 . A A . 26 VAL HG21 1 1 5 2512 1 1 26 VAL HG22 H 8.422 -2.144 -2.561 1.00 . A A . 26 VAL HG22 1 1 5 2513 1 1 26 VAL HG23 H 7.753 -1.665 -1.003 1.00 . A A . 26 VAL HG23 1 1 5 2514 1 1 26 VAL N N 8.730 -0.036 0.687 1.00 . A A . 26 VAL N 1 1 5 2515 1 1 26 VAL O O 12.088 0.621 0.321 1.00 . A A . 26 VAL O 1 1 5 2516 1 1 27 LEU C C 11.808 3.566 0.797 1.00 . A A . 27 LEU C 1 1 5 2517 1 1 27 LEU CA C 11.200 3.111 -0.545 1.00 . A A . 27 LEU CA 1 1 5 2518 1 1 27 LEU CB C 10.382 4.216 -1.255 1.00 . A A . 27 LEU CB 1 1 5 2519 1 1 27 LEU CD1 C 8.152 5.335 -1.352 1.00 . A A . 27 LEU CD1 1 1 5 2520 1 1 27 LEU CD2 C 8.835 4.197 0.734 1.00 . A A . 27 LEU CD2 1 1 5 2521 1 1 27 LEU CG C 9.322 4.983 -0.453 1.00 . A A . 27 LEU CG 1 1 5 2522 1 1 27 LEU H H 9.450 1.939 -0.625 1.00 . A A . 27 LEU H 1 1 5 2523 1 1 27 LEU HA H 12.012 2.842 -1.191 1.00 . A A . 27 LEU HA 1 1 5 2524 1 1 27 LEU HB2 H 11.075 4.939 -1.652 1.00 . A A . 27 LEU HB2 1 1 5 2525 1 1 27 LEU HB3 H 9.871 3.750 -2.088 1.00 . A A . 27 LEU HB3 1 1 5 2526 1 1 27 LEU HD11 H 7.377 5.805 -0.768 1.00 . A A . 27 LEU HD11 1 1 5 2527 1 1 27 LEU HD12 H 7.763 4.429 -1.798 1.00 . A A . 27 LEU HD12 1 1 5 2528 1 1 27 LEU HD13 H 8.481 6.007 -2.130 1.00 . A A . 27 LEU HD13 1 1 5 2529 1 1 27 LEU HD21 H 7.994 4.699 1.187 1.00 . A A . 27 LEU HD21 1 1 5 2530 1 1 27 LEU HD22 H 9.636 4.114 1.451 1.00 . A A . 27 LEU HD22 1 1 5 2531 1 1 27 LEU HD23 H 8.539 3.206 0.415 1.00 . A A . 27 LEU HD23 1 1 5 2532 1 1 27 LEU HG H 9.753 5.907 -0.092 1.00 . A A . 27 LEU HG 1 1 5 2533 1 1 27 LEU N N 10.400 1.910 -0.400 1.00 . A A . 27 LEU N 1 1 5 2534 1 1 27 LEU O O 12.750 4.356 0.822 1.00 . A A . 27 LEU O 1 1 5 2535 1 1 28 LEU C C 12.740 2.239 3.665 1.00 . A A . 28 LEU C 1 1 5 2536 1 1 28 LEU CA C 11.814 3.359 3.235 1.00 . A A . 28 LEU CA 1 1 5 2537 1 1 28 LEU CB C 10.715 3.505 4.297 1.00 . A A . 28 LEU CB 1 1 5 2538 1 1 28 LEU CD1 C 8.645 4.614 5.164 1.00 . A A . 28 LEU CD1 1 1 5 2539 1 1 28 LEU CD2 C 10.225 5.896 3.710 1.00 . A A . 28 LEU CD2 1 1 5 2540 1 1 28 LEU CG C 9.623 4.530 4.001 1.00 . A A . 28 LEU CG 1 1 5 2541 1 1 28 LEU H H 10.468 2.480 1.845 1.00 . A A . 28 LEU H 1 1 5 2542 1 1 28 LEU HA H 12.374 4.280 3.171 1.00 . A A . 28 LEU HA 1 1 5 2543 1 1 28 LEU HB2 H 10.244 2.542 4.423 1.00 . A A . 28 LEU HB2 1 1 5 2544 1 1 28 LEU HB3 H 11.185 3.777 5.229 1.00 . A A . 28 LEU HB3 1 1 5 2545 1 1 28 LEU HD11 H 8.176 3.651 5.311 1.00 . A A . 28 LEU HD11 1 1 5 2546 1 1 28 LEU HD12 H 7.890 5.353 4.945 1.00 . A A . 28 LEU HD12 1 1 5 2547 1 1 28 LEU HD13 H 9.177 4.896 6.060 1.00 . A A . 28 LEU HD13 1 1 5 2548 1 1 28 LEU HD21 H 9.435 6.603 3.505 1.00 . A A . 28 LEU HD21 1 1 5 2549 1 1 28 LEU HD22 H 10.876 5.826 2.852 1.00 . A A . 28 LEU HD22 1 1 5 2550 1 1 28 LEU HD23 H 10.793 6.230 4.565 1.00 . A A . 28 LEU HD23 1 1 5 2551 1 1 28 LEU HG H 9.075 4.206 3.133 1.00 . A A . 28 LEU HG 1 1 5 2552 1 1 28 LEU N N 11.261 3.063 1.915 1.00 . A A . 28 LEU N 1 1 5 2553 1 1 28 LEU O O 13.662 2.441 4.460 1.00 . A A . 28 LEU O 1 1 5 2554 1 1 29 LYS C C 12.916 -0.553 4.921 1.00 . A A . 29 LYS C 1 1 5 2555 1 1 29 LYS CA C 13.180 -0.173 3.470 1.00 . A A . 29 LYS CA 1 1 5 2556 1 1 29 LYS CB C 14.687 -0.010 3.228 1.00 . A A . 29 LYS CB 1 1 5 2557 1 1 29 LYS CD C 14.836 -1.061 0.951 1.00 . A A . 29 LYS CD 1 1 5 2558 1 1 29 LYS CE C 15.289 -0.872 -0.487 1.00 . A A . 29 LYS CE 1 1 5 2559 1 1 29 LYS CG C 15.064 0.195 1.772 1.00 . A A . 29 LYS CG 1 1 5 2560 1 1 29 LYS H H 11.715 0.996 2.486 1.00 . A A . 29 LYS H 1 1 5 2561 1 1 29 LYS HA H 12.806 -0.963 2.834 1.00 . A A . 29 LYS HA 1 1 5 2562 1 1 29 LYS HB2 H 15.037 0.840 3.790 1.00 . A A . 29 LYS HB2 1 1 5 2563 1 1 29 LYS HB3 H 15.191 -0.896 3.585 1.00 . A A . 29 LYS HB3 1 1 5 2564 1 1 29 LYS HD2 H 15.396 -1.873 1.392 1.00 . A A . 29 LYS HD2 1 1 5 2565 1 1 29 LYS HD3 H 13.784 -1.300 0.959 1.00 . A A . 29 LYS HD3 1 1 5 2566 1 1 29 LYS HE2 H 14.634 -0.161 -0.967 1.00 . A A . 29 LYS HE2 1 1 5 2567 1 1 29 LYS HE3 H 16.298 -0.488 -0.485 1.00 . A A . 29 LYS HE3 1 1 5 2568 1 1 29 LYS HG2 H 14.461 0.994 1.363 1.00 . A A . 29 LYS HG2 1 1 5 2569 1 1 29 LYS HG3 H 16.107 0.466 1.717 1.00 . A A . 29 LYS HG3 1 1 5 2570 1 1 29 LYS HZ1 H 15.575 -1.987 -2.226 1.00 . A A . 29 LYS HZ1 1 1 5 2571 1 1 29 LYS HZ2 H 14.296 -2.533 -1.269 1.00 . A A . 29 LYS HZ2 1 1 5 2572 1 1 29 LYS HZ3 H 15.890 -2.845 -0.805 1.00 . A A . 29 LYS HZ3 1 1 5 2573 1 1 29 LYS N N 12.453 1.051 3.132 1.00 . A A . 29 LYS N 1 1 5 2574 1 1 29 LYS NZ N 15.260 -2.148 -1.249 1.00 . A A . 29 LYS NZ 1 1 5 2575 1 1 29 LYS O O 13.697 -1.279 5.538 1.00 . A A . 29 LYS O 1 1 5 2576 1 1 30 ARG C C 10.688 -1.578 7.031 1.00 . A A . 30 ARG C 1 1 5 2577 1 1 30 ARG CA C 11.456 -0.276 6.848 1.00 . A A . 30 ARG CA 1 1 5 2578 1 1 30 ARG CB C 10.633 0.904 7.366 1.00 . A A . 30 ARG CB 1 1 5 2579 1 1 30 ARG CD C 9.559 2.056 9.322 1.00 . A A . 30 ARG CD 1 1 5 2580 1 1 30 ARG CG C 10.376 0.859 8.865 1.00 . A A . 30 ARG CG 1 1 5 2581 1 1 30 ARG CZ C 9.592 4.488 8.920 1.00 . A A . 30 ARG CZ 1 1 5 2582 1 1 30 ARG H H 11.178 0.432 4.871 1.00 . A A . 30 ARG H 1 1 5 2583 1 1 30 ARG HA H 12.379 -0.334 7.405 1.00 . A A . 30 ARG HA 1 1 5 2584 1 1 30 ARG HB2 H 11.158 1.821 7.143 1.00 . A A . 30 ARG HB2 1 1 5 2585 1 1 30 ARG HB3 H 9.680 0.914 6.860 1.00 . A A . 30 ARG HB3 1 1 5 2586 1 1 30 ARG HD2 H 8.601 2.032 8.826 1.00 . A A . 30 ARG HD2 1 1 5 2587 1 1 30 ARG HD3 H 9.412 1.990 10.389 1.00 . A A . 30 ARG HD3 1 1 5 2588 1 1 30 ARG HE H 11.195 3.292 8.859 1.00 . A A . 30 ARG HE 1 1 5 2589 1 1 30 ARG HG2 H 9.835 -0.045 9.102 1.00 . A A . 30 ARG HG2 1 1 5 2590 1 1 30 ARG HG3 H 11.323 0.862 9.384 1.00 . A A . 30 ARG HG3 1 1 5 2591 1 1 30 ARG HH11 H 7.766 3.747 9.402 1.00 . A A . 30 ARG HH11 1 1 5 2592 1 1 30 ARG HH12 H 7.815 5.451 9.086 1.00 . A A . 30 ARG HH12 1 1 5 2593 1 1 30 ARG HH21 H 11.261 5.533 8.439 1.00 . A A . 30 ARG HH21 1 1 5 2594 1 1 30 ARG HH22 H 9.799 6.462 8.524 1.00 . A A . 30 ARG HH22 1 1 5 2595 1 1 30 ARG N N 11.796 -0.072 5.446 1.00 . A A . 30 ARG N 1 1 5 2596 1 1 30 ARG NE N 10.222 3.320 9.012 1.00 . A A . 30 ARG NE 1 1 5 2597 1 1 30 ARG NH1 N 8.287 4.567 9.155 1.00 . A A . 30 ARG NH1 1 1 5 2598 1 1 30 ARG NH2 N 10.271 5.583 8.606 1.00 . A A . 30 ARG NH2 1 1 5 2599 1 1 30 ARG O O 9.472 -1.609 6.742 1.00 . A A . 30 ARG O 1 1 5 2600 1 1 30 ARG OXT O 11.306 -2.572 7.467 1.00 . A A . 30 ARG OXT 1 1 6 2601 1 1 1 MET C C -26.783 -0.150 9.217 1.00 . A A . 1 MET C 1 1 6 2602 1 1 1 MET CA C -27.879 -1.040 8.659 1.00 . A A . 1 MET CA 1 1 6 2603 1 1 1 MET CB C -28.162 -0.667 7.197 1.00 . A A . 1 MET CB 1 1 6 2604 1 1 1 MET CE C -31.252 0.186 6.560 1.00 . A A . 1 MET CE 1 1 6 2605 1 1 1 MET CG C -29.130 -1.607 6.491 1.00 . A A . 1 MET CG 1 1 6 2606 1 1 1 MET H1 H -28.899 -1.169 10.462 1.00 . A A . 1 MET H1 1 1 6 2607 1 1 1 MET H2 H -29.851 -1.530 9.115 1.00 . A A . 1 MET H2 1 1 6 2608 1 1 1 MET H3 H -29.439 0.075 9.459 1.00 . A A . 1 MET H3 1 1 6 2609 1 1 1 MET HA H -27.551 -2.067 8.708 1.00 . A A . 1 MET HA 1 1 6 2610 1 1 1 MET HB2 H -28.577 0.329 7.168 1.00 . A A . 1 MET HB2 1 1 6 2611 1 1 1 MET HB3 H -27.229 -0.672 6.653 1.00 . A A . 1 MET HB3 1 1 6 2612 1 1 1 MET HE1 H -30.581 0.895 7.017 1.00 . A A . 1 MET HE1 1 1 6 2613 1 1 1 MET HE2 H -32.266 0.410 6.851 1.00 . A A . 1 MET HE2 1 1 6 2614 1 1 1 MET HE3 H -31.165 0.249 5.486 1.00 . A A . 1 MET HE3 1 1 6 2615 1 1 1 MET HG2 H -29.124 -1.377 5.437 1.00 . A A . 1 MET HG2 1 1 6 2616 1 1 1 MET HG3 H -28.793 -2.624 6.637 1.00 . A A . 1 MET HG3 1 1 6 2617 1 1 1 MET N N -29.101 -0.906 9.479 1.00 . A A . 1 MET N 1 1 6 2618 1 1 1 MET O O -26.996 0.564 10.196 1.00 . A A . 1 MET O 1 1 6 2619 1 1 1 MET SD S -30.827 -1.470 7.096 1.00 . A A . 1 MET SD 1 1 6 2620 1 1 2 ALA C C -23.689 1.074 7.806 1.00 . A A . 2 ALA C 1 1 6 2621 1 1 2 ALA CA C -24.489 0.623 9.018 1.00 . A A . 2 ALA CA 1 1 6 2622 1 1 2 ALA CB C -23.604 -0.140 9.992 1.00 . A A . 2 ALA CB 1 1 6 2623 1 1 2 ALA H H -25.497 -0.809 7.835 1.00 . A A . 2 ALA H 1 1 6 2624 1 1 2 ALA HA H -24.882 1.493 9.526 1.00 . A A . 2 ALA HA 1 1 6 2625 1 1 2 ALA HB1 H -23.188 -1.005 9.496 1.00 . A A . 2 ALA HB1 1 1 6 2626 1 1 2 ALA HB2 H -24.192 -0.458 10.840 1.00 . A A . 2 ALA HB2 1 1 6 2627 1 1 2 ALA HB3 H -22.803 0.501 10.328 1.00 . A A . 2 ALA HB3 1 1 6 2628 1 1 2 ALA N N -25.612 -0.201 8.600 1.00 . A A . 2 ALA N 1 1 6 2629 1 1 2 ALA O O -22.475 0.889 7.741 1.00 . A A . 2 ALA O 1 1 6 2630 1 1 3 THR C C -23.066 3.450 5.791 1.00 . A A . 3 THR C 1 1 6 2631 1 1 3 THR CA C -23.769 2.105 5.602 1.00 . A A . 3 THR CA 1 1 6 2632 1 1 3 THR CB C -24.828 2.240 4.509 1.00 . A A . 3 THR CB 1 1 6 2633 1 1 3 THR CG2 C -24.201 2.196 3.123 1.00 . A A . 3 THR CG2 1 1 6 2634 1 1 3 THR H H -25.343 1.818 6.979 1.00 . A A . 3 THR H 1 1 6 2635 1 1 3 THR HA H -23.046 1.363 5.297 1.00 . A A . 3 THR HA 1 1 6 2636 1 1 3 THR HB H -25.319 3.191 4.639 1.00 . A A . 3 THR HB 1 1 6 2637 1 1 3 THR HG1 H -25.374 0.421 5.057 1.00 . A A . 3 THR HG1 1 1 6 2638 1 1 3 THR HG21 H -23.495 3.006 3.021 1.00 . A A . 3 THR HG21 1 1 6 2639 1 1 3 THR HG22 H -24.974 2.295 2.375 1.00 . A A . 3 THR HG22 1 1 6 2640 1 1 3 THR HG23 H -23.690 1.254 2.989 1.00 . A A . 3 THR HG23 1 1 6 2641 1 1 3 THR N N -24.382 1.665 6.846 1.00 . A A . 3 THR N 1 1 6 2642 1 1 3 THR O O -23.417 4.457 5.172 1.00 . A A . 3 THR O 1 1 6 2643 1 1 3 THR OG1 O -25.789 1.182 4.633 1.00 . A A . 3 THR OG1 1 1 6 2644 1 1 4 LYS C C -20.258 4.856 5.895 1.00 . A A . 4 LYS C 1 1 6 2645 1 1 4 LYS CA C -21.311 4.637 6.974 1.00 . A A . 4 LYS CA 1 1 6 2646 1 1 4 LYS CB C -20.660 4.482 8.350 1.00 . A A . 4 LYS CB 1 1 6 2647 1 1 4 LYS CD C -20.979 3.835 10.770 1.00 . A A . 4 LYS CD 1 1 6 2648 1 1 4 LYS CE C -20.452 5.113 11.393 1.00 . A A . 4 LYS CE 1 1 6 2649 1 1 4 LYS CG C -21.655 4.099 9.436 1.00 . A A . 4 LYS CG 1 1 6 2650 1 1 4 LYS H H -21.894 2.613 7.137 1.00 . A A . 4 LYS H 1 1 6 2651 1 1 4 LYS HA H -21.981 5.485 6.991 1.00 . A A . 4 LYS HA 1 1 6 2652 1 1 4 LYS HB2 H -19.902 3.715 8.294 1.00 . A A . 4 LYS HB2 1 1 6 2653 1 1 4 LYS HB3 H -20.197 5.418 8.627 1.00 . A A . 4 LYS HB3 1 1 6 2654 1 1 4 LYS HD2 H -21.695 3.388 11.443 1.00 . A A . 4 LYS HD2 1 1 6 2655 1 1 4 LYS HD3 H -20.154 3.153 10.616 1.00 . A A . 4 LYS HD3 1 1 6 2656 1 1 4 LYS HE2 H -19.688 5.520 10.750 1.00 . A A . 4 LYS HE2 1 1 6 2657 1 1 4 LYS HE3 H -21.266 5.818 11.474 1.00 . A A . 4 LYS HE3 1 1 6 2658 1 1 4 LYS HG2 H -22.362 4.906 9.560 1.00 . A A . 4 LYS HG2 1 1 6 2659 1 1 4 LYS HG3 H -22.179 3.209 9.129 1.00 . A A . 4 LYS HG3 1 1 6 2660 1 1 4 LYS HZ1 H -19.566 5.773 13.164 1.00 . A A . 4 LYS HZ1 1 1 6 2661 1 1 4 LYS HZ2 H -19.059 4.238 12.676 1.00 . A A . 4 LYS HZ2 1 1 6 2662 1 1 4 LYS HZ3 H -20.588 4.440 13.363 1.00 . A A . 4 LYS HZ3 1 1 6 2663 1 1 4 LYS N N -22.092 3.449 6.671 1.00 . A A . 4 LYS N 1 1 6 2664 1 1 4 LYS NZ N -19.877 4.875 12.741 1.00 . A A . 4 LYS NZ 1 1 6 2665 1 1 4 LYS O O -19.185 4.251 5.931 1.00 . A A . 4 LYS O 1 1 6 2666 1 1 5 HIS C C -19.543 4.607 3.025 1.00 . A A . 5 HIS C 1 1 6 2667 1 1 5 HIS CA C -19.753 5.934 3.750 1.00 . A A . 5 HIS CA 1 1 6 2668 1 1 5 HIS CB C -18.409 6.576 4.133 1.00 . A A . 5 HIS CB 1 1 6 2669 1 1 5 HIS CD2 C -17.788 8.080 2.107 1.00 . A A . 5 HIS CD2 1 1 6 2670 1 1 5 HIS CE1 C -15.961 7.044 1.487 1.00 . A A . 5 HIS CE1 1 1 6 2671 1 1 5 HIS CG C -17.602 7.041 2.956 1.00 . A A . 5 HIS CG 1 1 6 2672 1 1 5 HIS H H -21.432 6.210 5.006 1.00 . A A . 5 HIS H 1 1 6 2673 1 1 5 HIS HA H -20.286 6.602 3.092 1.00 . A A . 5 HIS HA 1 1 6 2674 1 1 5 HIS HB2 H -18.596 7.432 4.764 1.00 . A A . 5 HIS HB2 1 1 6 2675 1 1 5 HIS HB3 H -17.816 5.857 4.680 1.00 . A A . 5 HIS HB3 1 1 6 2676 1 1 5 HIS HD1 H -16.047 5.619 2.953 1.00 . A A . 5 HIS HD1 1 1 6 2677 1 1 5 HIS HD2 H -18.597 8.796 2.137 1.00 . A A . 5 HIS HD2 1 1 6 2678 1 1 5 HIS HE1 H -15.063 6.774 0.949 1.00 . A A . 5 HIS HE1 1 1 6 2679 1 1 5 HIS HE2 H -16.611 8.704 0.483 1.00 . A A . 5 HIS HE2 1 1 6 2680 1 1 5 HIS N N -20.590 5.713 4.927 1.00 . A A . 5 HIS N 1 1 6 2681 1 1 5 HIS ND1 N -16.449 6.413 2.538 1.00 . A A . 5 HIS ND1 1 1 6 2682 1 1 5 HIS NE2 N -16.753 8.057 1.207 1.00 . A A . 5 HIS NE2 1 1 6 2683 1 1 5 HIS O O -18.415 4.179 2.777 1.00 . A A . 5 HIS O 1 1 6 2684 1 1 6 GLY C C -20.327 1.532 3.058 1.00 . A A . 6 GLY C 1 1 6 2685 1 1 6 GLY CA C -20.591 2.652 2.071 1.00 . A A . 6 GLY CA 1 1 6 2686 1 1 6 GLY H H -21.522 4.342 2.934 1.00 . A A . 6 GLY H 1 1 6 2687 1 1 6 GLY HA2 H -21.530 2.467 1.570 1.00 . A A . 6 GLY HA2 1 1 6 2688 1 1 6 GLY HA3 H -19.798 2.665 1.335 1.00 . A A . 6 GLY HA3 1 1 6 2689 1 1 6 GLY N N -20.650 3.944 2.719 1.00 . A A . 6 GLY N 1 1 6 2690 1 1 6 GLY O O -21.062 0.546 3.095 1.00 . A A . 6 GLY O 1 1 6 2691 1 1 7 LYS C C -18.606 -0.647 4.229 1.00 . A A . 7 LYS C 1 1 6 2692 1 1 7 LYS CA C -18.843 0.732 4.849 1.00 . A A . 7 LYS CA 1 1 6 2693 1 1 7 LYS CB C -19.845 0.682 5.988 1.00 . A A . 7 LYS CB 1 1 6 2694 1 1 7 LYS CD C -17.998 0.814 7.686 1.00 . A A . 7 LYS CD 1 1 6 2695 1 1 7 LYS CE C -17.476 0.268 9.003 1.00 . A A . 7 LYS CE 1 1 6 2696 1 1 7 LYS CG C -19.282 0.118 7.267 1.00 . A A . 7 LYS CG 1 1 6 2697 1 1 7 LYS H H -18.817 2.561 3.855 1.00 . A A . 7 LYS H 1 1 6 2698 1 1 7 LYS HA H -17.904 1.081 5.236 1.00 . A A . 7 LYS HA 1 1 6 2699 1 1 7 LYS HB2 H -20.194 1.683 6.187 1.00 . A A . 7 LYS HB2 1 1 6 2700 1 1 7 LYS HB3 H -20.683 0.072 5.688 1.00 . A A . 7 LYS HB3 1 1 6 2701 1 1 7 LYS HD2 H -17.249 0.660 6.927 1.00 . A A . 7 LYS HD2 1 1 6 2702 1 1 7 LYS HD3 H -18.192 1.871 7.797 1.00 . A A . 7 LYS HD3 1 1 6 2703 1 1 7 LYS HE2 H -18.186 0.502 9.781 1.00 . A A . 7 LYS HE2 1 1 6 2704 1 1 7 LYS HE3 H -17.376 -0.803 8.918 1.00 . A A . 7 LYS HE3 1 1 6 2705 1 1 7 LYS HG2 H -20.012 0.257 8.036 1.00 . A A . 7 LYS HG2 1 1 6 2706 1 1 7 LYS HG3 H -19.086 -0.932 7.128 1.00 . A A . 7 LYS HG3 1 1 6 2707 1 1 7 LYS HZ1 H -16.248 1.878 9.512 1.00 . A A . 7 LYS HZ1 1 1 6 2708 1 1 7 LYS HZ2 H -15.471 0.685 8.596 1.00 . A A . 7 LYS HZ2 1 1 6 2709 1 1 7 LYS HZ3 H -15.799 0.415 10.231 1.00 . A A . 7 LYS HZ3 1 1 6 2710 1 1 7 LYS N N -19.286 1.709 3.874 1.00 . A A . 7 LYS N 1 1 6 2711 1 1 7 LYS NZ N -16.158 0.852 9.361 1.00 . A A . 7 LYS NZ 1 1 6 2712 1 1 7 LYS O O -18.591 -1.664 4.919 1.00 . A A . 7 LYS O 1 1 6 2713 1 1 8 ASN C C -17.139 -1.565 1.047 1.00 . A A . 8 ASN C 1 1 6 2714 1 1 8 ASN CA C -18.077 -1.879 2.201 1.00 . A A . 8 ASN CA 1 1 6 2715 1 1 8 ASN CB C -19.357 -2.533 1.672 1.00 . A A . 8 ASN CB 1 1 6 2716 1 1 8 ASN CG C -20.010 -3.465 2.678 1.00 . A A . 8 ASN CG 1 1 6 2717 1 1 8 ASN H H -18.432 0.188 2.436 1.00 . A A . 8 ASN H 1 1 6 2718 1 1 8 ASN HA H -17.584 -2.559 2.880 1.00 . A A . 8 ASN HA 1 1 6 2719 1 1 8 ASN HB2 H -20.065 -1.756 1.426 1.00 . A A . 8 ASN HB2 1 1 6 2720 1 1 8 ASN HB3 H -19.124 -3.096 0.782 1.00 . A A . 8 ASN HB3 1 1 6 2721 1 1 8 ASN HD21 H -20.049 -5.359 3.273 1.00 . A A . 8 ASN HD21 1 1 6 2722 1 1 8 ASN HD22 H -18.967 -5.004 1.972 1.00 . A A . 8 ASN HD22 1 1 6 2723 1 1 8 ASN N N -18.383 -0.656 2.928 1.00 . A A . 8 ASN N 1 1 6 2724 1 1 8 ASN ND2 N -19.639 -4.736 2.639 1.00 . A A . 8 ASN ND2 1 1 6 2725 1 1 8 ASN O O -16.101 -2.203 0.881 1.00 . A A . 8 ASN O 1 1 6 2726 1 1 8 ASN OD1 O -20.848 -3.051 3.478 1.00 . A A . 8 ASN OD1 1 1 6 2727 1 1 9 SER C C -15.345 0.389 -0.517 1.00 . A A . 9 SER C 1 1 6 2728 1 1 9 SER CA C -16.729 -0.140 -0.888 1.00 . A A . 9 SER CA 1 1 6 2729 1 1 9 SER CB C -17.514 0.913 -1.666 1.00 . A A . 9 SER CB 1 1 6 2730 1 1 9 SER H H -18.330 -0.067 0.484 1.00 . A A . 9 SER H 1 1 6 2731 1 1 9 SER HA H -16.601 -1.006 -1.513 1.00 . A A . 9 SER HA 1 1 6 2732 1 1 9 SER HB2 H -16.848 1.430 -2.341 1.00 . A A . 9 SER HB2 1 1 6 2733 1 1 9 SER HB3 H -18.299 0.433 -2.229 1.00 . A A . 9 SER HB3 1 1 6 2734 1 1 9 SER HG H -19.050 1.715 -0.748 1.00 . A A . 9 SER HG 1 1 6 2735 1 1 9 SER N N -17.501 -0.549 0.278 1.00 . A A . 9 SER N 1 1 6 2736 1 1 9 SER O O -14.445 0.413 -1.360 1.00 . A A . 9 SER O 1 1 6 2737 1 1 9 SER OG O -18.095 1.861 -0.785 1.00 . A A . 9 SER OG 1 1 6 2738 1 1 10 TRP C C -12.802 0.221 1.030 1.00 . A A . 10 TRP C 1 1 6 2739 1 1 10 TRP CA C -13.861 1.295 1.173 1.00 . A A . 10 TRP CA 1 1 6 2740 1 1 10 TRP CB C -13.855 1.736 2.628 1.00 . A A . 10 TRP CB 1 1 6 2741 1 1 10 TRP CD1 C -15.404 0.153 3.887 1.00 . A A . 10 TRP CD1 1 1 6 2742 1 1 10 TRP CD2 C -13.247 -0.087 4.276 1.00 . A A . 10 TRP CD2 1 1 6 2743 1 1 10 TRP CE2 C -13.923 -1.014 5.066 1.00 . A A . 10 TRP CE2 1 1 6 2744 1 1 10 TRP CE3 C -11.885 -0.019 4.310 1.00 . A A . 10 TRP CE3 1 1 6 2745 1 1 10 TRP CG C -14.190 0.648 3.565 1.00 . A A . 10 TRP CG 1 1 6 2746 1 1 10 TRP CH2 C -11.882 -1.796 5.924 1.00 . A A . 10 TRP CH2 1 1 6 2747 1 1 10 TRP CZ2 C -13.245 -1.885 5.905 1.00 . A A . 10 TRP CZ2 1 1 6 2748 1 1 10 TRP CZ3 C -11.206 -0.870 5.126 1.00 . A A . 10 TRP CZ3 1 1 6 2749 1 1 10 TRP H H -15.909 0.776 1.366 1.00 . A A . 10 TRP H 1 1 6 2750 1 1 10 TRP HA H -13.598 2.136 0.548 1.00 . A A . 10 TRP HA 1 1 6 2751 1 1 10 TRP HB2 H -12.860 2.071 2.876 1.00 . A A . 10 TRP HB2 1 1 6 2752 1 1 10 TRP HB3 H -14.519 2.532 2.788 1.00 . A A . 10 TRP HB3 1 1 6 2753 1 1 10 TRP HD1 H -16.326 0.509 3.471 1.00 . A A . 10 TRP HD1 1 1 6 2754 1 1 10 TRP HE1 H -15.992 -1.372 5.224 1.00 . A A . 10 TRP HE1 1 1 6 2755 1 1 10 TRP HE3 H -11.355 0.680 3.678 1.00 . A A . 10 TRP HE3 1 1 6 2756 1 1 10 TRP HH2 H -11.305 -2.451 6.555 1.00 . A A . 10 TRP HH2 1 1 6 2757 1 1 10 TRP HZ2 H -13.754 -2.597 6.518 1.00 . A A . 10 TRP HZ2 1 1 6 2758 1 1 10 TRP HZ3 H -10.144 -0.813 5.161 1.00 . A A . 10 TRP HZ3 1 1 6 2759 1 1 10 TRP N N -15.162 0.801 0.736 1.00 . A A . 10 TRP N 1 1 6 2760 1 1 10 TRP NE1 N -15.263 -0.857 4.813 1.00 . A A . 10 TRP NE1 1 1 6 2761 1 1 10 TRP O O -11.671 0.513 0.766 1.00 . A A . 10 TRP O 1 1 6 2762 1 1 11 LYS C C -11.515 -2.144 -0.164 1.00 . A A . 11 LYS C 1 1 6 2763 1 1 11 LYS CA C -12.228 -2.123 1.175 1.00 . A A . 11 LYS CA 1 1 6 2764 1 1 11 LYS CB C -13.003 -3.397 1.367 1.00 . A A . 11 LYS CB 1 1 6 2765 1 1 11 LYS CD C -13.442 -5.420 2.783 1.00 . A A . 11 LYS CD 1 1 6 2766 1 1 11 LYS CE C -14.945 -5.198 2.794 1.00 . A A . 11 LYS CE 1 1 6 2767 1 1 11 LYS CG C -12.689 -4.106 2.663 1.00 . A A . 11 LYS CG 1 1 6 2768 1 1 11 LYS H H -14.116 -1.207 1.443 1.00 . A A . 11 LYS H 1 1 6 2769 1 1 11 LYS HA H -11.502 -2.013 1.972 1.00 . A A . 11 LYS HA 1 1 6 2770 1 1 11 LYS HB2 H -14.047 -3.134 1.380 1.00 . A A . 11 LYS HB2 1 1 6 2771 1 1 11 LYS HB3 H -12.810 -4.054 0.531 1.00 . A A . 11 LYS HB3 1 1 6 2772 1 1 11 LYS HD2 H -13.187 -6.048 1.943 1.00 . A A . 11 LYS HD2 1 1 6 2773 1 1 11 LYS HD3 H -13.152 -5.907 3.701 1.00 . A A . 11 LYS HD3 1 1 6 2774 1 1 11 LYS HE2 H -15.200 -4.609 3.663 1.00 . A A . 11 LYS HE2 1 1 6 2775 1 1 11 LYS HE3 H -15.222 -4.659 1.900 1.00 . A A . 11 LYS HE3 1 1 6 2776 1 1 11 LYS HG2 H -11.627 -4.302 2.713 1.00 . A A . 11 LYS HG2 1 1 6 2777 1 1 11 LYS HG3 H -12.980 -3.457 3.478 1.00 . A A . 11 LYS HG3 1 1 6 2778 1 1 11 LYS HZ1 H -15.428 -7.083 2.035 1.00 . A A . 11 LYS HZ1 1 1 6 2779 1 1 11 LYS HZ2 H -16.717 -6.297 2.794 1.00 . A A . 11 LYS HZ2 1 1 6 2780 1 1 11 LYS HZ3 H -15.487 -6.989 3.723 1.00 . A A . 11 LYS HZ3 1 1 6 2781 1 1 11 LYS N N -13.175 -1.020 1.237 1.00 . A A . 11 LYS N 1 1 6 2782 1 1 11 LYS NZ N -15.696 -6.481 2.840 1.00 . A A . 11 LYS NZ 1 1 6 2783 1 1 11 LYS O O -10.319 -2.405 -0.261 1.00 . A A . 11 LYS O 1 1 6 2784 1 1 12 THR C C -10.839 -0.507 -2.644 1.00 . A A . 12 THR C 1 1 6 2785 1 1 12 THR CA C -11.795 -1.708 -2.530 1.00 . A A . 12 THR CA 1 1 6 2786 1 1 12 THR CB C -13.018 -1.568 -3.450 1.00 . A A . 12 THR CB 1 1 6 2787 1 1 12 THR CG2 C -12.680 -0.930 -4.787 1.00 . A A . 12 THR CG2 1 1 6 2788 1 1 12 THR H H -13.230 -1.662 -1.001 1.00 . A A . 12 THR H 1 1 6 2789 1 1 12 THR HA H -11.267 -2.614 -2.788 1.00 . A A . 12 THR HA 1 1 6 2790 1 1 12 THR HB H -13.732 -0.946 -2.935 1.00 . A A . 12 THR HB 1 1 6 2791 1 1 12 THR HG1 H -13.636 -3.057 -4.598 1.00 . A A . 12 THR HG1 1 1 6 2792 1 1 12 THR HG21 H -11.982 -1.557 -5.322 1.00 . A A . 12 THR HG21 1 1 6 2793 1 1 12 THR HG22 H -12.239 0.041 -4.622 1.00 . A A . 12 THR HG22 1 1 6 2794 1 1 12 THR HG23 H -13.584 -0.820 -5.369 1.00 . A A . 12 THR HG23 1 1 6 2795 1 1 12 THR N N -12.282 -1.832 -1.176 1.00 . A A . 12 THR N 1 1 6 2796 1 1 12 THR O O -9.858 -0.538 -3.386 1.00 . A A . 12 THR O 1 1 6 2797 1 1 12 THR OG1 O -13.625 -2.853 -3.654 1.00 . A A . 12 THR OG1 1 1 6 2798 1 1 13 LEU C C -9.040 1.324 -0.868 1.00 . A A . 13 LEU C 1 1 6 2799 1 1 13 LEU CA C -10.247 1.690 -1.720 1.00 . A A . 13 LEU CA 1 1 6 2800 1 1 13 LEU CB C -11.034 2.825 -1.028 1.00 . A A . 13 LEU CB 1 1 6 2801 1 1 13 LEU CD1 C -10.272 5.023 -0.077 1.00 . A A . 13 LEU CD1 1 1 6 2802 1 1 13 LEU CD2 C -11.049 3.209 1.471 1.00 . A A . 13 LEU CD2 1 1 6 2803 1 1 13 LEU CG C -10.332 3.520 0.151 1.00 . A A . 13 LEU CG 1 1 6 2804 1 1 13 LEU H H -11.971 0.517 -1.369 1.00 . A A . 13 LEU H 1 1 6 2805 1 1 13 LEU HA H -9.916 2.011 -2.699 1.00 . A A . 13 LEU HA 1 1 6 2806 1 1 13 LEU HB2 H -11.273 3.572 -1.764 1.00 . A A . 13 LEU HB2 1 1 6 2807 1 1 13 LEU HB3 H -11.955 2.403 -0.651 1.00 . A A . 13 LEU HB3 1 1 6 2808 1 1 13 LEU HD11 H -9.770 5.493 0.757 1.00 . A A . 13 LEU HD11 1 1 6 2809 1 1 13 LEU HD12 H -11.274 5.415 -0.159 1.00 . A A . 13 LEU HD12 1 1 6 2810 1 1 13 LEU HD13 H -9.727 5.227 -0.985 1.00 . A A . 13 LEU HD13 1 1 6 2811 1 1 13 LEU HD21 H -10.519 3.666 2.291 1.00 . A A . 13 LEU HD21 1 1 6 2812 1 1 13 LEU HD22 H -11.085 2.131 1.626 1.00 . A A . 13 LEU HD22 1 1 6 2813 1 1 13 LEU HD23 H -12.060 3.589 1.438 1.00 . A A . 13 LEU HD23 1 1 6 2814 1 1 13 LEU HG H -9.324 3.152 0.223 1.00 . A A . 13 LEU HG 1 1 6 2815 1 1 13 LEU N N -11.129 0.531 -1.870 1.00 . A A . 13 LEU N 1 1 6 2816 1 1 13 LEU O O -7.934 1.826 -1.050 1.00 . A A . 13 LEU O 1 1 6 2817 1 1 14 TYR C C -7.235 -0.753 0.697 1.00 . A A . 14 TYR C 1 1 6 2818 1 1 14 TYR CA C -8.381 0.139 1.126 1.00 . A A . 14 TYR CA 1 1 6 2819 1 1 14 TYR CB C -9.145 -0.519 2.264 1.00 . A A . 14 TYR CB 1 1 6 2820 1 1 14 TYR CD1 C -7.522 -1.823 3.624 1.00 . A A . 14 TYR CD1 1 1 6 2821 1 1 14 TYR CD2 C -8.236 0.296 4.437 1.00 . A A . 14 TYR CD2 1 1 6 2822 1 1 14 TYR CE1 C -6.692 -1.978 4.698 1.00 . A A . 14 TYR CE1 1 1 6 2823 1 1 14 TYR CE2 C -7.412 0.154 5.534 1.00 . A A . 14 TYR CE2 1 1 6 2824 1 1 14 TYR CG C -8.299 -0.692 3.476 1.00 . A A . 14 TYR CG 1 1 6 2825 1 1 14 TYR CZ C -6.633 -0.986 5.662 1.00 . A A . 14 TYR CZ 1 1 6 2826 1 1 14 TYR H H -10.130 -0.080 0.000 1.00 . A A . 14 TYR H 1 1 6 2827 1 1 14 TYR HA H -7.981 1.078 1.475 1.00 . A A . 14 TYR HA 1 1 6 2828 1 1 14 TYR HB2 H -9.991 0.094 2.524 1.00 . A A . 14 TYR HB2 1 1 6 2829 1 1 14 TYR HB3 H -9.486 -1.493 1.949 1.00 . A A . 14 TYR HB3 1 1 6 2830 1 1 14 TYR HD1 H -7.580 -2.593 2.873 1.00 . A A . 14 TYR HD1 1 1 6 2831 1 1 14 TYR HD2 H -8.869 1.178 4.327 1.00 . A A . 14 TYR HD2 1 1 6 2832 1 1 14 TYR HE1 H -6.092 -2.873 4.776 1.00 . A A . 14 TYR HE1 1 1 6 2833 1 1 14 TYR HE2 H -7.367 0.934 6.276 1.00 . A A . 14 TYR HE2 1 1 6 2834 1 1 14 TYR HH H -4.953 -1.495 6.453 1.00 . A A . 14 TYR HH 1 1 6 2835 1 1 14 TYR N N -9.284 0.416 0.045 1.00 . A A . 14 TYR N 1 1 6 2836 1 1 14 TYR O O -6.104 -0.582 1.143 1.00 . A A . 14 TYR O 1 1 6 2837 1 1 14 TYR OH O -5.799 -1.127 6.749 1.00 . A A . 14 TYR OH 1 1 6 2838 1 1 15 LEU C C -5.666 -1.930 -1.680 1.00 . A A . 15 LEU C 1 1 6 2839 1 1 15 LEU CA C -6.481 -2.613 -0.598 1.00 . A A . 15 LEU CA 1 1 6 2840 1 1 15 LEU CB C -7.075 -3.922 -1.081 1.00 . A A . 15 LEU CB 1 1 6 2841 1 1 15 LEU CD1 C -8.825 -5.686 -0.810 1.00 . A A . 15 LEU CD1 1 1 6 2842 1 1 15 LEU CD2 C -7.396 -5.034 1.134 1.00 . A A . 15 LEU CD2 1 1 6 2843 1 1 15 LEU CG C -8.089 -4.545 -0.129 1.00 . A A . 15 LEU CG 1 1 6 2844 1 1 15 LEU H H -8.426 -1.816 -0.489 1.00 . A A . 15 LEU H 1 1 6 2845 1 1 15 LEU HA H -5.843 -2.812 0.247 1.00 . A A . 15 LEU HA 1 1 6 2846 1 1 15 LEU HB2 H -7.543 -3.764 -2.041 1.00 . A A . 15 LEU HB2 1 1 6 2847 1 1 15 LEU HB3 H -6.266 -4.617 -1.193 1.00 . A A . 15 LEU HB3 1 1 6 2848 1 1 15 LEU HD11 H -9.556 -6.097 -0.132 1.00 . A A . 15 LEU HD11 1 1 6 2849 1 1 15 LEU HD12 H -8.118 -6.454 -1.089 1.00 . A A . 15 LEU HD12 1 1 6 2850 1 1 15 LEU HD13 H -9.323 -5.316 -1.694 1.00 . A A . 15 LEU HD13 1 1 6 2851 1 1 15 LEU HD21 H -8.127 -5.464 1.801 1.00 . A A . 15 LEU HD21 1 1 6 2852 1 1 15 LEU HD22 H -6.909 -4.201 1.621 1.00 . A A . 15 LEU HD22 1 1 6 2853 1 1 15 LEU HD23 H -6.661 -5.781 0.874 1.00 . A A . 15 LEU HD23 1 1 6 2854 1 1 15 LEU HG H -8.809 -3.793 0.153 1.00 . A A . 15 LEU HG 1 1 6 2855 1 1 15 LEU N N -7.516 -1.713 -0.154 1.00 . A A . 15 LEU N 1 1 6 2856 1 1 15 LEU O O -4.568 -2.362 -2.028 1.00 . A A . 15 LEU O 1 1 6 2857 1 1 16 LYS C C -4.500 0.833 -2.119 1.00 . A A . 16 LYS C 1 1 6 2858 1 1 16 LYS CA C -5.485 0.087 -3.017 1.00 . A A . 16 LYS CA 1 1 6 2859 1 1 16 LYS CB C -6.476 1.048 -3.699 1.00 . A A . 16 LYS CB 1 1 6 2860 1 1 16 LYS CD C -5.696 3.387 -3.364 1.00 . A A . 16 LYS CD 1 1 6 2861 1 1 16 LYS CE C -4.899 4.551 -3.929 1.00 . A A . 16 LYS CE 1 1 6 2862 1 1 16 LYS CG C -5.836 2.253 -4.360 1.00 . A A . 16 LYS CG 1 1 6 2863 1 1 16 LYS H H -7.153 -0.634 -1.980 1.00 . A A . 16 LYS H 1 1 6 2864 1 1 16 LYS HA H -4.944 -0.474 -3.763 1.00 . A A . 16 LYS HA 1 1 6 2865 1 1 16 LYS HB2 H -7.035 0.509 -4.446 1.00 . A A . 16 LYS HB2 1 1 6 2866 1 1 16 LYS HB3 H -7.167 1.409 -2.950 1.00 . A A . 16 LYS HB3 1 1 6 2867 1 1 16 LYS HD2 H -6.682 3.732 -3.093 1.00 . A A . 16 LYS HD2 1 1 6 2868 1 1 16 LYS HD3 H -5.196 3.005 -2.482 1.00 . A A . 16 LYS HD3 1 1 6 2869 1 1 16 LYS HE2 H -4.861 5.339 -3.191 1.00 . A A . 16 LYS HE2 1 1 6 2870 1 1 16 LYS HE3 H -3.897 4.213 -4.144 1.00 . A A . 16 LYS HE3 1 1 6 2871 1 1 16 LYS HG2 H -4.856 1.980 -4.725 1.00 . A A . 16 LYS HG2 1 1 6 2872 1 1 16 LYS HG3 H -6.454 2.578 -5.182 1.00 . A A . 16 LYS HG3 1 1 6 2873 1 1 16 LYS HZ1 H -5.456 4.379 -5.934 1.00 . A A . 16 LYS HZ1 1 1 6 2874 1 1 16 LYS HZ2 H -4.999 5.941 -5.482 1.00 . A A . 16 LYS HZ2 1 1 6 2875 1 1 16 LYS HZ3 H -6.503 5.332 -5.011 1.00 . A A . 16 LYS HZ3 1 1 6 2876 1 1 16 LYS N N -6.218 -0.836 -2.186 1.00 . A A . 16 LYS N 1 1 6 2877 1 1 16 LYS NZ N -5.506 5.088 -5.175 1.00 . A A . 16 LYS NZ 1 1 6 2878 1 1 16 LYS O O -3.354 1.092 -2.492 1.00 . A A . 16 LYS O 1 1 6 2879 1 1 17 ILE C C -3.049 0.755 0.521 1.00 . A A . 17 ILE C 1 1 6 2880 1 1 17 ILE CA C -4.155 1.731 0.120 1.00 . A A . 17 ILE CA 1 1 6 2881 1 1 17 ILE CB C -5.038 2.103 1.338 1.00 . A A . 17 ILE CB 1 1 6 2882 1 1 17 ILE CD1 C -6.730 3.819 2.179 1.00 . A A . 17 ILE CD1 1 1 6 2883 1 1 17 ILE CG1 C -5.776 3.419 1.074 1.00 . A A . 17 ILE CG1 1 1 6 2884 1 1 17 ILE CG2 C -4.228 2.173 2.620 1.00 . A A . 17 ILE CG2 1 1 6 2885 1 1 17 ILE H H -5.917 0.985 -0.719 1.00 . A A . 17 ILE H 1 1 6 2886 1 1 17 ILE HA H -3.714 2.628 -0.272 1.00 . A A . 17 ILE HA 1 1 6 2887 1 1 17 ILE HB H -5.770 1.320 1.461 1.00 . A A . 17 ILE HB 1 1 6 2888 1 1 17 ILE HD11 H -7.218 4.746 1.917 1.00 . A A . 17 ILE HD11 1 1 6 2889 1 1 17 ILE HD12 H -6.180 3.952 3.099 1.00 . A A . 17 ILE HD12 1 1 6 2890 1 1 17 ILE HD13 H -7.473 3.047 2.312 1.00 . A A . 17 ILE HD13 1 1 6 2891 1 1 17 ILE HG12 H -5.052 4.213 0.962 1.00 . A A . 17 ILE HG12 1 1 6 2892 1 1 17 ILE HG13 H -6.345 3.328 0.160 1.00 . A A . 17 ILE HG13 1 1 6 2893 1 1 17 ILE HG21 H -3.519 2.982 2.554 1.00 . A A . 17 ILE HG21 1 1 6 2894 1 1 17 ILE HG22 H -3.702 1.240 2.752 1.00 . A A . 17 ILE HG22 1 1 6 2895 1 1 17 ILE HG23 H -4.893 2.334 3.456 1.00 . A A . 17 ILE HG23 1 1 6 2896 1 1 17 ILE N N -4.974 1.149 -0.917 1.00 . A A . 17 ILE N 1 1 6 2897 1 1 17 ILE O O -1.889 1.140 0.673 1.00 . A A . 17 ILE O 1 1 6 2898 1 1 18 SER C C -1.431 -1.646 -0.162 1.00 . A A . 18 SER C 1 1 6 2899 1 1 18 SER CA C -2.469 -1.578 0.943 1.00 . A A . 18 SER CA 1 1 6 2900 1 1 18 SER CB C -3.188 -2.922 1.016 1.00 . A A . 18 SER CB 1 1 6 2901 1 1 18 SER H H -4.378 -0.740 0.580 1.00 . A A . 18 SER H 1 1 6 2902 1 1 18 SER HA H -1.985 -1.371 1.884 1.00 . A A . 18 SER HA 1 1 6 2903 1 1 18 SER HB2 H -3.461 -3.231 0.009 1.00 . A A . 18 SER HB2 1 1 6 2904 1 1 18 SER HB3 H -2.527 -3.656 1.450 1.00 . A A . 18 SER HB3 1 1 6 2905 1 1 18 SER HG H -4.415 -1.950 2.201 1.00 . A A . 18 SER HG 1 1 6 2906 1 1 18 SER N N -3.424 -0.514 0.663 1.00 . A A . 18 SER N 1 1 6 2907 1 1 18 SER O O -0.237 -1.750 0.092 1.00 . A A . 18 SER O 1 1 6 2908 1 1 18 SER OG O -4.359 -2.830 1.812 1.00 . A A . 18 SER OG 1 1 6 2909 1 1 19 PHE C C 0.044 -0.695 -2.578 1.00 . A A . 19 PHE C 1 1 6 2910 1 1 19 PHE CA C -1.095 -1.704 -2.576 1.00 . A A . 19 PHE CA 1 1 6 2911 1 1 19 PHE CB C -1.967 -1.508 -3.811 1.00 . A A . 19 PHE CB 1 1 6 2912 1 1 19 PHE CD1 C -1.125 -2.993 -5.616 1.00 . A A . 19 PHE CD1 1 1 6 2913 1 1 19 PHE CD2 C -0.689 -0.654 -5.778 1.00 . A A . 19 PHE CD2 1 1 6 2914 1 1 19 PHE CE1 C -0.461 -3.204 -6.809 1.00 . A A . 19 PHE CE1 1 1 6 2915 1 1 19 PHE CE2 C -0.022 -0.855 -6.972 1.00 . A A . 19 PHE CE2 1 1 6 2916 1 1 19 PHE CG C -1.244 -1.721 -5.096 1.00 . A A . 19 PHE CG 1 1 6 2917 1 1 19 PHE CZ C 0.093 -2.134 -7.488 1.00 . A A . 19 PHE CZ 1 1 6 2918 1 1 19 PHE H H -2.882 -1.412 -1.505 1.00 . A A . 19 PHE H 1 1 6 2919 1 1 19 PHE HA H -0.680 -2.702 -2.589 1.00 . A A . 19 PHE HA 1 1 6 2920 1 1 19 PHE HB2 H -2.791 -2.206 -3.775 1.00 . A A . 19 PHE HB2 1 1 6 2921 1 1 19 PHE HB3 H -2.357 -0.500 -3.810 1.00 . A A . 19 PHE HB3 1 1 6 2922 1 1 19 PHE HD1 H -1.560 -3.825 -5.077 1.00 . A A . 19 PHE HD1 1 1 6 2923 1 1 19 PHE HD2 H -0.778 0.346 -5.364 1.00 . A A . 19 PHE HD2 1 1 6 2924 1 1 19 PHE HE1 H -0.373 -4.203 -7.210 1.00 . A A . 19 PHE HE1 1 1 6 2925 1 1 19 PHE HE2 H 0.408 -0.018 -7.499 1.00 . A A . 19 PHE HE2 1 1 6 2926 1 1 19 PHE HZ H 0.612 -2.296 -8.421 1.00 . A A . 19 PHE HZ 1 1 6 2927 1 1 19 PHE N N -1.920 -1.568 -1.390 1.00 . A A . 19 PHE N 1 1 6 2928 1 1 19 PHE O O 1.217 -1.061 -2.664 1.00 . A A . 19 PHE O 1 1 6 2929 1 1 20 LEU C C 1.564 1.516 -1.228 1.00 . A A . 20 LEU C 1 1 6 2930 1 1 20 LEU CA C 0.682 1.640 -2.457 1.00 . A A . 20 LEU CA 1 1 6 2931 1 1 20 LEU CB C 0.000 3.005 -2.483 1.00 . A A . 20 LEU CB 1 1 6 2932 1 1 20 LEU CD1 C -1.242 4.772 -3.744 1.00 . A A . 20 LEU CD1 1 1 6 2933 1 1 20 LEU CD2 C 0.171 3.112 -4.967 1.00 . A A . 20 LEU CD2 1 1 6 2934 1 1 20 LEU CG C -0.739 3.337 -3.775 1.00 . A A . 20 LEU CG 1 1 6 2935 1 1 20 LEU H H -1.263 0.808 -2.427 1.00 . A A . 20 LEU H 1 1 6 2936 1 1 20 LEU HA H 1.299 1.539 -3.337 1.00 . A A . 20 LEU HA 1 1 6 2937 1 1 20 LEU HB2 H -0.711 3.039 -1.674 1.00 . A A . 20 LEU HB2 1 1 6 2938 1 1 20 LEU HB3 H 0.749 3.761 -2.318 1.00 . A A . 20 LEU HB3 1 1 6 2939 1 1 20 LEU HD11 H -1.924 4.896 -2.916 1.00 . A A . 20 LEU HD11 1 1 6 2940 1 1 20 LEU HD12 H -1.753 4.994 -4.668 1.00 . A A . 20 LEU HD12 1 1 6 2941 1 1 20 LEU HD13 H -0.406 5.445 -3.624 1.00 . A A . 20 LEU HD13 1 1 6 2942 1 1 20 LEU HD21 H -0.344 3.394 -5.872 1.00 . A A . 20 LEU HD21 1 1 6 2943 1 1 20 LEU HD22 H 0.440 2.067 -5.013 1.00 . A A . 20 LEU HD22 1 1 6 2944 1 1 20 LEU HD23 H 1.063 3.707 -4.855 1.00 . A A . 20 LEU HD23 1 1 6 2945 1 1 20 LEU HG H -1.593 2.685 -3.874 1.00 . A A . 20 LEU HG 1 1 6 2946 1 1 20 LEU N N -0.309 0.578 -2.482 1.00 . A A . 20 LEU N 1 1 6 2947 1 1 20 LEU O O 2.761 1.790 -1.275 1.00 . A A . 20 LEU O 1 1 6 2948 1 1 21 GLY C C 2.744 -0.214 0.978 1.00 . A A . 21 GLY C 1 1 6 2949 1 1 21 GLY CA C 1.695 0.877 1.101 1.00 . A A . 21 GLY CA 1 1 6 2950 1 1 21 GLY H H -0.002 0.897 -0.167 1.00 . A A . 21 GLY H 1 1 6 2951 1 1 21 GLY HA2 H 2.184 1.803 1.372 1.00 . A A . 21 GLY HA2 1 1 6 2952 1 1 21 GLY HA3 H 0.999 0.606 1.882 1.00 . A A . 21 GLY HA3 1 1 6 2953 1 1 21 GLY N N 0.961 1.081 -0.135 1.00 . A A . 21 GLY N 1 1 6 2954 1 1 21 GLY O O 3.805 -0.130 1.591 1.00 . A A . 21 GLY O 1 1 6 2955 1 1 22 CYS C C 4.594 -1.838 -0.862 1.00 . A A . 22 CYS C 1 1 6 2956 1 1 22 CYS CA C 3.379 -2.325 -0.074 1.00 . A A . 22 CYS CA 1 1 6 2957 1 1 22 CYS CB C 2.679 -3.453 -0.839 1.00 . A A . 22 CYS CB 1 1 6 2958 1 1 22 CYS H H 1.562 -1.255 -0.244 1.00 . A A . 22 CYS H 1 1 6 2959 1 1 22 CYS HA H 3.712 -2.702 0.881 1.00 . A A . 22 CYS HA 1 1 6 2960 1 1 22 CYS HB2 H 2.298 -3.062 -1.769 1.00 . A A . 22 CYS HB2 1 1 6 2961 1 1 22 CYS HB3 H 3.394 -4.233 -1.048 1.00 . A A . 22 CYS HB3 1 1 6 2962 1 1 22 CYS HG H 0.527 -3.214 0.507 1.00 . A A . 22 CYS HG 1 1 6 2963 1 1 22 CYS N N 2.446 -1.231 0.178 1.00 . A A . 22 CYS N 1 1 6 2964 1 1 22 CYS O O 5.667 -2.433 -0.796 1.00 . A A . 22 CYS O 1 1 6 2965 1 1 22 CYS SG S 1.292 -4.200 0.050 1.00 . A A . 22 CYS SG 1 1 6 2966 1 1 23 LYS C C 6.226 0.876 -1.522 1.00 . A A . 23 LYS C 1 1 6 2967 1 1 23 LYS CA C 5.514 -0.168 -2.362 1.00 . A A . 23 LYS CA 1 1 6 2968 1 1 23 LYS CB C 5.003 0.470 -3.654 1.00 . A A . 23 LYS CB 1 1 6 2969 1 1 23 LYS CD C 3.846 0.179 -5.870 1.00 . A A . 23 LYS CD 1 1 6 2970 1 1 23 LYS CE C 4.974 0.874 -6.618 1.00 . A A . 23 LYS CE 1 1 6 2971 1 1 23 LYS CG C 4.353 -0.515 -4.614 1.00 . A A . 23 LYS CG 1 1 6 2972 1 1 23 LYS H H 3.524 -0.354 -1.663 1.00 . A A . 23 LYS H 1 1 6 2973 1 1 23 LYS HA H 6.214 -0.945 -2.598 1.00 . A A . 23 LYS HA 1 1 6 2974 1 1 23 LYS HB2 H 4.277 1.227 -3.404 1.00 . A A . 23 LYS HB2 1 1 6 2975 1 1 23 LYS HB3 H 5.836 0.936 -4.161 1.00 . A A . 23 LYS HB3 1 1 6 2976 1 1 23 LYS HD2 H 3.398 -0.557 -6.520 1.00 . A A . 23 LYS HD2 1 1 6 2977 1 1 23 LYS HD3 H 3.106 0.914 -5.589 1.00 . A A . 23 LYS HD3 1 1 6 2978 1 1 23 LYS HE2 H 5.400 1.631 -5.977 1.00 . A A . 23 LYS HE2 1 1 6 2979 1 1 23 LYS HE3 H 5.731 0.145 -6.861 1.00 . A A . 23 LYS HE3 1 1 6 2980 1 1 23 LYS HG2 H 5.080 -1.261 -4.897 1.00 . A A . 23 LYS HG2 1 1 6 2981 1 1 23 LYS HG3 H 3.520 -0.992 -4.116 1.00 . A A . 23 LYS HG3 1 1 6 2982 1 1 23 LYS HZ1 H 4.135 0.803 -8.527 1.00 . A A . 23 LYS HZ1 1 1 6 2983 1 1 23 LYS HZ2 H 5.287 2.020 -8.332 1.00 . A A . 23 LYS HZ2 1 1 6 2984 1 1 23 LYS HZ3 H 3.748 2.204 -7.664 1.00 . A A . 23 LYS HZ3 1 1 6 2985 1 1 23 LYS N N 4.416 -0.758 -1.609 1.00 . A A . 23 LYS N 1 1 6 2986 1 1 23 LYS NZ N 4.503 1.519 -7.873 1.00 . A A . 23 LYS NZ 1 1 6 2987 1 1 23 LYS O O 7.454 0.937 -1.483 1.00 . A A . 23 LYS O 1 1 6 2988 1 1 24 VAL C C 6.405 2.201 1.372 1.00 . A A . 24 VAL C 1 1 6 2989 1 1 24 VAL CA C 5.996 2.737 -0.015 1.00 . A A . 24 VAL CA 1 1 6 2990 1 1 24 VAL CB C 4.998 3.910 0.063 1.00 . A A . 24 VAL CB 1 1 6 2991 1 1 24 VAL CG1 C 5.511 5.056 0.907 1.00 . A A . 24 VAL CG1 1 1 6 2992 1 1 24 VAL CG2 C 4.688 4.398 -1.340 1.00 . A A . 24 VAL CG2 1 1 6 2993 1 1 24 VAL H H 4.475 1.554 -0.861 1.00 . A A . 24 VAL H 1 1 6 2994 1 1 24 VAL HA H 6.888 3.093 -0.525 1.00 . A A . 24 VAL HA 1 1 6 2995 1 1 24 VAL HB H 4.093 3.553 0.500 1.00 . A A . 24 VAL HB 1 1 6 2996 1 1 24 VAL HG11 H 6.358 5.506 0.418 1.00 . A A . 24 VAL HG11 1 1 6 2997 1 1 24 VAL HG12 H 5.813 4.677 1.871 1.00 . A A . 24 VAL HG12 1 1 6 2998 1 1 24 VAL HG13 H 4.732 5.791 1.032 1.00 . A A . 24 VAL HG13 1 1 6 2999 1 1 24 VAL HG21 H 5.613 4.669 -1.833 1.00 . A A . 24 VAL HG21 1 1 6 3000 1 1 24 VAL HG22 H 4.039 5.258 -1.290 1.00 . A A . 24 VAL HG22 1 1 6 3001 1 1 24 VAL HG23 H 4.202 3.610 -1.896 1.00 . A A . 24 VAL HG23 1 1 6 3002 1 1 24 VAL N N 5.450 1.675 -0.824 1.00 . A A . 24 VAL N 1 1 6 3003 1 1 24 VAL O O 6.669 2.944 2.315 1.00 . A A . 24 VAL O 1 1 6 3004 1 1 25 VAL C C 8.565 -0.040 2.192 1.00 . A A . 25 VAL C 1 1 6 3005 1 1 25 VAL CA C 7.124 0.250 2.602 1.00 . A A . 25 VAL CA 1 1 6 3006 1 1 25 VAL CB C 6.422 -1.059 3.006 1.00 . A A . 25 VAL CB 1 1 6 3007 1 1 25 VAL CG1 C 6.767 -2.187 2.048 1.00 . A A . 25 VAL CG1 1 1 6 3008 1 1 25 VAL CG2 C 6.748 -1.441 4.438 1.00 . A A . 25 VAL CG2 1 1 6 3009 1 1 25 VAL H H 5.995 0.333 0.817 1.00 . A A . 25 VAL H 1 1 6 3010 1 1 25 VAL HA H 7.118 0.930 3.444 1.00 . A A . 25 VAL HA 1 1 6 3011 1 1 25 VAL HB H 5.362 -0.886 2.942 1.00 . A A . 25 VAL HB 1 1 6 3012 1 1 25 VAL HG11 H 6.291 -3.098 2.374 1.00 . A A . 25 VAL HG11 1 1 6 3013 1 1 25 VAL HG12 H 7.840 -2.322 2.028 1.00 . A A . 25 VAL HG12 1 1 6 3014 1 1 25 VAL HG13 H 6.423 -1.932 1.054 1.00 . A A . 25 VAL HG13 1 1 6 3015 1 1 25 VAL HG21 H 7.814 -1.574 4.541 1.00 . A A . 25 VAL HG21 1 1 6 3016 1 1 25 VAL HG22 H 6.243 -2.364 4.684 1.00 . A A . 25 VAL HG22 1 1 6 3017 1 1 25 VAL HG23 H 6.415 -0.660 5.103 1.00 . A A . 25 VAL HG23 1 1 6 3018 1 1 25 VAL N N 6.446 0.889 1.486 1.00 . A A . 25 VAL N 1 1 6 3019 1 1 25 VAL O O 9.481 -0.092 3.015 1.00 . A A . 25 VAL O 1 1 6 3020 1 1 26 VAL C C 10.966 0.590 0.300 1.00 . A A . 26 VAL C 1 1 6 3021 1 1 26 VAL CA C 10.011 -0.575 0.297 1.00 . A A . 26 VAL CA 1 1 6 3022 1 1 26 VAL CB C 9.810 -1.029 -1.158 1.00 . A A . 26 VAL CB 1 1 6 3023 1 1 26 VAL CG1 C 11.141 -1.359 -1.821 1.00 . A A . 26 VAL CG1 1 1 6 3024 1 1 26 VAL CG2 C 8.863 -2.217 -1.227 1.00 . A A . 26 VAL CG2 1 1 6 3025 1 1 26 VAL H H 7.977 -0.057 0.289 1.00 . A A . 26 VAL H 1 1 6 3026 1 1 26 VAL HA H 10.428 -1.385 0.859 1.00 . A A . 26 VAL HA 1 1 6 3027 1 1 26 VAL HB H 9.358 -0.202 -1.697 1.00 . A A . 26 VAL HB 1 1 6 3028 1 1 26 VAL HG11 H 10.967 -1.670 -2.840 1.00 . A A . 26 VAL HG11 1 1 6 3029 1 1 26 VAL HG12 H 11.622 -2.157 -1.278 1.00 . A A . 26 VAL HG12 1 1 6 3030 1 1 26 VAL HG13 H 11.772 -0.483 -1.812 1.00 . A A . 26 VAL HG13 1 1 6 3031 1 1 26 VAL HG21 H 8.744 -2.525 -2.255 1.00 . A A . 26 VAL HG21 1 1 6 3032 1 1 26 VAL HG22 H 7.902 -1.935 -0.824 1.00 . A A . 26 VAL HG22 1 1 6 3033 1 1 26 VAL HG23 H 9.268 -3.035 -0.651 1.00 . A A . 26 VAL HG23 1 1 6 3034 1 1 26 VAL N N 8.741 -0.201 0.885 1.00 . A A . 26 VAL N 1 1 6 3035 1 1 26 VAL O O 12.106 0.487 0.743 1.00 . A A . 26 VAL O 1 1 6 3036 1 1 27 LEU C C 11.774 3.458 0.975 1.00 . A A . 27 LEU C 1 1 6 3037 1 1 27 LEU CA C 11.270 2.895 -0.373 1.00 . A A . 27 LEU CA 1 1 6 3038 1 1 27 LEU CB C 10.502 3.935 -1.232 1.00 . A A . 27 LEU CB 1 1 6 3039 1 1 27 LEU CD1 C 8.268 5.004 -1.585 1.00 . A A . 27 LEU CD1 1 1 6 3040 1 1 27 LEU CD2 C 8.820 4.062 0.631 1.00 . A A . 27 LEU CD2 1 1 6 3041 1 1 27 LEU CG C 9.376 4.751 -0.579 1.00 . A A . 27 LEU CG 1 1 6 3042 1 1 27 LEU H H 9.536 1.700 -0.491 1.00 . A A . 27 LEU H 1 1 6 3043 1 1 27 LEU HA H 12.130 2.586 -0.934 1.00 . A A . 27 LEU HA 1 1 6 3044 1 1 27 LEU HB2 H 11.220 4.632 -1.630 1.00 . A A . 27 LEU HB2 1 1 6 3045 1 1 27 LEU HB3 H 10.060 3.399 -2.063 1.00 . A A . 27 LEU HB3 1 1 6 3046 1 1 27 LEU HD11 H 7.448 5.511 -1.097 1.00 . A A . 27 LEU HD11 1 1 6 3047 1 1 27 LEU HD12 H 7.921 4.060 -1.977 1.00 . A A . 27 LEU HD12 1 1 6 3048 1 1 27 LEU HD13 H 8.642 5.615 -2.391 1.00 . A A . 27 LEU HD13 1 1 6 3049 1 1 27 LEU HD21 H 8.546 3.047 0.373 1.00 . A A . 27 LEU HD21 1 1 6 3050 1 1 27 LEU HD22 H 7.950 4.591 0.988 1.00 . A A . 27 LEU HD22 1 1 6 3051 1 1 27 LEU HD23 H 9.575 4.038 1.397 1.00 . A A . 27 LEU HD23 1 1 6 3052 1 1 27 LEU HG H 9.769 5.709 -0.271 1.00 . A A . 27 LEU HG 1 1 6 3053 1 1 27 LEU N N 10.469 1.698 -0.200 1.00 . A A . 27 LEU N 1 1 6 3054 1 1 27 LEU O O 12.712 4.255 1.003 1.00 . A A . 27 LEU O 1 1 6 3055 1 1 28 LEU C C 12.421 2.328 4.058 1.00 . A A . 28 LEU C 1 1 6 3056 1 1 28 LEU CA C 11.606 3.439 3.423 1.00 . A A . 28 LEU CA 1 1 6 3057 1 1 28 LEU CB C 10.435 3.759 4.359 1.00 . A A . 28 LEU CB 1 1 6 3058 1 1 28 LEU CD1 C 8.395 5.087 4.922 1.00 . A A . 28 LEU CD1 1 1 6 3059 1 1 28 LEU CD2 C 10.200 6.108 3.523 1.00 . A A . 28 LEU CD2 1 1 6 3060 1 1 28 LEU CG C 9.462 4.825 3.873 1.00 . A A . 28 LEU CG 1 1 6 3061 1 1 28 LEU H H 10.362 2.448 2.007 1.00 . A A . 28 LEU H 1 1 6 3062 1 1 28 LEU HA H 12.227 4.315 3.317 1.00 . A A . 28 LEU HA 1 1 6 3063 1 1 28 LEU HB2 H 9.877 2.848 4.523 1.00 . A A . 28 LEU HB2 1 1 6 3064 1 1 28 LEU HB3 H 10.840 4.083 5.306 1.00 . A A . 28 LEU HB3 1 1 6 3065 1 1 28 LEU HD11 H 7.847 4.176 5.113 1.00 . A A . 28 LEU HD11 1 1 6 3066 1 1 28 LEU HD12 H 7.716 5.846 4.563 1.00 . A A . 28 LEU HD12 1 1 6 3067 1 1 28 LEU HD13 H 8.862 5.425 5.835 1.00 . A A . 28 LEU HD13 1 1 6 3068 1 1 28 LEU HD21 H 9.491 6.853 3.193 1.00 . A A . 28 LEU HD21 1 1 6 3069 1 1 28 LEU HD22 H 10.910 5.914 2.733 1.00 . A A . 28 LEU HD22 1 1 6 3070 1 1 28 LEU HD23 H 10.723 6.472 4.395 1.00 . A A . 28 LEU HD23 1 1 6 3071 1 1 28 LEU HG H 8.974 4.461 2.987 1.00 . A A . 28 LEU HG 1 1 6 3072 1 1 28 LEU N N 11.148 3.038 2.089 1.00 . A A . 28 LEU N 1 1 6 3073 1 1 28 LEU O O 13.272 2.571 4.916 1.00 . A A . 28 LEU O 1 1 6 3074 1 1 29 LYS C C 12.286 -0.315 5.617 1.00 . A A . 29 LYS C 1 1 6 3075 1 1 29 LYS CA C 12.729 -0.106 4.177 1.00 . A A . 29 LYS CA 1 1 6 3076 1 1 29 LYS CB C 14.263 -0.052 4.092 1.00 . A A . 29 LYS CB 1 1 6 3077 1 1 29 LYS CD C 14.475 -1.329 1.934 1.00 . A A . 29 LYS CD 1 1 6 3078 1 1 29 LYS CE C 14.977 -1.286 0.501 1.00 . A A . 29 LYS CE 1 1 6 3079 1 1 29 LYS CG C 14.801 -0.039 2.670 1.00 . A A . 29 LYS CG 1 1 6 3080 1 1 29 LYS H H 11.431 1.014 2.934 1.00 . A A . 29 LYS H 1 1 6 3081 1 1 29 LYS HA H 12.376 -0.941 3.589 1.00 . A A . 29 LYS HA 1 1 6 3082 1 1 29 LYS HB2 H 14.606 0.842 4.590 1.00 . A A . 29 LYS HB2 1 1 6 3083 1 1 29 LYS HB3 H 14.670 -0.913 4.600 1.00 . A A . 29 LYS HB3 1 1 6 3084 1 1 29 LYS HD2 H 14.945 -2.155 2.445 1.00 . A A . 29 LYS HD2 1 1 6 3085 1 1 29 LYS HD3 H 13.405 -1.469 1.926 1.00 . A A . 29 LYS HD3 1 1 6 3086 1 1 29 LYS HE2 H 14.529 -0.440 0.001 1.00 . A A . 29 LYS HE2 1 1 6 3087 1 1 29 LYS HE3 H 16.052 -1.168 0.512 1.00 . A A . 29 LYS HE3 1 1 6 3088 1 1 29 LYS HG2 H 14.358 0.789 2.136 1.00 . A A . 29 LYS HG2 1 1 6 3089 1 1 29 LYS HG3 H 15.875 0.086 2.704 1.00 . A A . 29 LYS HG3 1 1 6 3090 1 1 29 LYS HZ1 H 13.612 -2.692 -0.216 1.00 . A A . 29 LYS HZ1 1 1 6 3091 1 1 29 LYS HZ2 H 15.121 -3.341 0.169 1.00 . A A . 29 LYS HZ2 1 1 6 3092 1 1 29 LYS HZ3 H 14.929 -2.433 -1.241 1.00 . A A . 29 LYS HZ3 1 1 6 3093 1 1 29 LYS N N 12.113 1.106 3.634 1.00 . A A . 29 LYS N 1 1 6 3094 1 1 29 LYS NZ N 14.636 -2.523 -0.246 1.00 . A A . 29 LYS NZ 1 1 6 3095 1 1 29 LYS O O 12.970 -0.963 6.407 1.00 . A A . 29 LYS O 1 1 6 3096 1 1 30 ARG C C 9.732 -1.073 7.461 1.00 . A A . 30 ARG C 1 1 6 3097 1 1 30 ARG CA C 10.601 0.168 7.299 1.00 . A A . 30 ARG CA 1 1 6 3098 1 1 30 ARG CB C 9.797 1.436 7.617 1.00 . A A . 30 ARG CB 1 1 6 3099 1 1 30 ARG CD C 10.433 1.557 10.055 1.00 . A A . 30 ARG CD 1 1 6 3100 1 1 30 ARG CG C 9.290 1.514 9.053 1.00 . A A . 30 ARG CG 1 1 6 3101 1 1 30 ARG CZ C 12.390 2.969 10.590 1.00 . A A . 30 ARG CZ 1 1 6 3102 1 1 30 ARG H H 10.601 0.686 5.254 1.00 . A A . 30 ARG H 1 1 6 3103 1 1 30 ARG HA H 11.437 0.099 7.977 1.00 . A A . 30 ARG HA 1 1 6 3104 1 1 30 ARG HB2 H 10.423 2.297 7.435 1.00 . A A . 30 ARG HB2 1 1 6 3105 1 1 30 ARG HB3 H 8.944 1.479 6.955 1.00 . A A . 30 ARG HB3 1 1 6 3106 1 1 30 ARG HD2 H 10.017 1.604 11.050 1.00 . A A . 30 ARG HD2 1 1 6 3107 1 1 30 ARG HD3 H 11.016 0.654 9.955 1.00 . A A . 30 ARG HD3 1 1 6 3108 1 1 30 ARG HE H 11.078 3.328 9.120 1.00 . A A . 30 ARG HE 1 1 6 3109 1 1 30 ARG HG2 H 8.695 2.407 9.165 1.00 . A A . 30 ARG HG2 1 1 6 3110 1 1 30 ARG HG3 H 8.678 0.646 9.255 1.00 . A A . 30 ARG HG3 1 1 6 3111 1 1 30 ARG HH11 H 12.155 1.371 11.819 1.00 . A A . 30 ARG HH11 1 1 6 3112 1 1 30 ARG HH12 H 13.536 2.368 12.151 1.00 . A A . 30 ARG HH12 1 1 6 3113 1 1 30 ARG HH21 H 12.886 4.650 9.570 1.00 . A A . 30 ARG HH21 1 1 6 3114 1 1 30 ARG HH22 H 13.955 4.224 10.869 1.00 . A A . 30 ARG HH22 1 1 6 3115 1 1 30 ARG N N 11.126 0.236 5.946 1.00 . A A . 30 ARG N 1 1 6 3116 1 1 30 ARG NE N 11.308 2.712 9.853 1.00 . A A . 30 ARG NE 1 1 6 3117 1 1 30 ARG NH1 N 12.719 2.171 11.601 1.00 . A A . 30 ARG NH1 1 1 6 3118 1 1 30 ARG NH2 N 13.135 4.033 10.322 1.00 . A A . 30 ARG NH2 1 1 6 3119 1 1 30 ARG O O 10.283 -2.146 7.776 1.00 . A A . 30 ARG O 1 1 6 3120 1 1 30 ARG OXT O 8.507 -0.973 7.264 1.00 . A A . 30 ARG OXT 1 1 7 3121 1 1 1 MET C C -27.596 9.910 11.574 1.00 . A A . 1 MET C 1 1 7 3122 1 1 1 MET CA C -27.154 11.110 12.398 1.00 . A A . 1 MET CA 1 1 7 3123 1 1 1 MET CB C -25.665 11.391 12.162 1.00 . A A . 1 MET CB 1 1 7 3124 1 1 1 MET CE C -22.787 11.584 13.684 1.00 . A A . 1 MET CE 1 1 7 3125 1 1 1 MET CG C -25.178 12.688 12.792 1.00 . A A . 1 MET CG 1 1 7 3126 1 1 1 MET H1 H -26.852 10.039 14.155 1.00 . A A . 1 MET H1 1 1 7 3127 1 1 1 MET H2 H -28.413 10.664 13.992 1.00 . A A . 1 MET H2 1 1 7 3128 1 1 1 MET H3 H -27.134 11.687 14.399 1.00 . A A . 1 MET H3 1 1 7 3129 1 1 1 MET HA H -27.731 11.972 12.097 1.00 . A A . 1 MET HA 1 1 7 3130 1 1 1 MET HB2 H -25.089 10.580 12.578 1.00 . A A . 1 MET HB2 1 1 7 3131 1 1 1 MET HB3 H -25.484 11.442 11.100 1.00 . A A . 1 MET HB3 1 1 7 3132 1 1 1 MET HE1 H -23.120 10.636 13.290 1.00 . A A . 1 MET HE1 1 1 7 3133 1 1 1 MET HE2 H -23.168 11.710 14.686 1.00 . A A . 1 MET HE2 1 1 7 3134 1 1 1 MET HE3 H -21.708 11.607 13.705 1.00 . A A . 1 MET HE3 1 1 7 3135 1 1 1 MET HG2 H -25.669 13.515 12.303 1.00 . A A . 1 MET HG2 1 1 7 3136 1 1 1 MET HG3 H -25.442 12.685 13.839 1.00 . A A . 1 MET HG3 1 1 7 3137 1 1 1 MET N N -27.405 10.859 13.836 1.00 . A A . 1 MET N 1 1 7 3138 1 1 1 MET O O -27.698 8.800 12.094 1.00 . A A . 1 MET O 1 1 7 3139 1 1 1 MET SD S -23.393 12.913 12.645 1.00 . A A . 1 MET SD 1 1 7 3140 1 1 2 ALA C C -27.426 9.067 8.151 1.00 . A A . 2 ALA C 1 1 7 3141 1 1 2 ALA CA C -28.286 9.063 9.406 1.00 . A A . 2 ALA CA 1 1 7 3142 1 1 2 ALA CB C -29.759 9.203 9.055 1.00 . A A . 2 ALA CB 1 1 7 3143 1 1 2 ALA H H -27.792 11.049 9.944 1.00 . A A . 2 ALA H 1 1 7 3144 1 1 2 ALA HA H -28.147 8.124 9.924 1.00 . A A . 2 ALA HA 1 1 7 3145 1 1 2 ALA HB1 H -30.345 9.224 9.963 1.00 . A A . 2 ALA HB1 1 1 7 3146 1 1 2 ALA HB2 H -30.066 8.365 8.446 1.00 . A A . 2 ALA HB2 1 1 7 3147 1 1 2 ALA HB3 H -29.913 10.121 8.507 1.00 . A A . 2 ALA HB3 1 1 7 3148 1 1 2 ALA N N -27.870 10.135 10.298 1.00 . A A . 2 ALA N 1 1 7 3149 1 1 2 ALA O O -27.914 8.862 7.037 1.00 . A A . 2 ALA O 1 1 7 3150 1 1 3 THR C C -24.771 8.009 6.783 1.00 . A A . 3 THR C 1 1 7 3151 1 1 3 THR CA C -25.196 9.396 7.252 1.00 . A A . 3 THR CA 1 1 7 3152 1 1 3 THR CB C -23.948 10.184 7.678 1.00 . A A . 3 THR CB 1 1 7 3153 1 1 3 THR CG2 C -23.077 10.517 6.479 1.00 . A A . 3 THR CG2 1 1 7 3154 1 1 3 THR H H -25.812 9.413 9.263 1.00 . A A . 3 THR H 1 1 7 3155 1 1 3 THR HA H -25.670 9.919 6.436 1.00 . A A . 3 THR HA 1 1 7 3156 1 1 3 THR HB H -23.375 9.581 8.366 1.00 . A A . 3 THR HB 1 1 7 3157 1 1 3 THR HG1 H -25.116 11.761 7.884 1.00 . A A . 3 THR HG1 1 1 7 3158 1 1 3 THR HG21 H -23.641 11.121 5.783 1.00 . A A . 3 THR HG21 1 1 7 3159 1 1 3 THR HG22 H -22.769 9.603 5.995 1.00 . A A . 3 THR HG22 1 1 7 3160 1 1 3 THR HG23 H -22.205 11.063 6.807 1.00 . A A . 3 THR HG23 1 1 7 3161 1 1 3 THR N N -26.140 9.305 8.347 1.00 . A A . 3 THR N 1 1 7 3162 1 1 3 THR O O -24.407 7.150 7.590 1.00 . A A . 3 THR O 1 1 7 3163 1 1 3 THR OG1 O -24.341 11.396 8.331 1.00 . A A . 3 THR OG1 1 1 7 3164 1 1 4 LYS C C -23.009 6.696 4.304 1.00 . A A . 4 LYS C 1 1 7 3165 1 1 4 LYS CA C -24.404 6.540 4.892 1.00 . A A . 4 LYS CA 1 1 7 3166 1 1 4 LYS CB C -25.399 6.098 3.814 1.00 . A A . 4 LYS CB 1 1 7 3167 1 1 4 LYS CD C -26.147 4.306 2.212 1.00 . A A . 4 LYS CD 1 1 7 3168 1 1 4 LYS CE C -27.475 4.051 2.909 1.00 . A A . 4 LYS CE 1 1 7 3169 1 1 4 LYS CG C -25.073 4.753 3.191 1.00 . A A . 4 LYS CG 1 1 7 3170 1 1 4 LYS H H -25.169 8.507 4.896 1.00 . A A . 4 LYS H 1 1 7 3171 1 1 4 LYS HA H -24.373 5.797 5.675 1.00 . A A . 4 LYS HA 1 1 7 3172 1 1 4 LYS HB2 H -26.382 6.037 4.255 1.00 . A A . 4 LYS HB2 1 1 7 3173 1 1 4 LYS HB3 H -25.412 6.836 3.031 1.00 . A A . 4 LYS HB3 1 1 7 3174 1 1 4 LYS HD2 H -26.287 5.078 1.470 1.00 . A A . 4 LYS HD2 1 1 7 3175 1 1 4 LYS HD3 H -25.825 3.394 1.730 1.00 . A A . 4 LYS HD3 1 1 7 3176 1 1 4 LYS HE2 H -27.803 4.966 3.379 1.00 . A A . 4 LYS HE2 1 1 7 3177 1 1 4 LYS HE3 H -28.202 3.751 2.169 1.00 . A A . 4 LYS HE3 1 1 7 3178 1 1 4 LYS HG2 H -24.132 4.829 2.669 1.00 . A A . 4 LYS HG2 1 1 7 3179 1 1 4 LYS HG3 H -24.991 4.025 3.976 1.00 . A A . 4 LYS HG3 1 1 7 3180 1 1 4 LYS HZ1 H -28.296 2.838 4.399 1.00 . A A . 4 LYS HZ1 1 1 7 3181 1 1 4 LYS HZ2 H -26.684 3.256 4.673 1.00 . A A . 4 LYS HZ2 1 1 7 3182 1 1 4 LYS HZ3 H -27.066 2.091 3.509 1.00 . A A . 4 LYS HZ3 1 1 7 3183 1 1 4 LYS N N -24.830 7.794 5.481 1.00 . A A . 4 LYS N 1 1 7 3184 1 1 4 LYS NZ N -27.373 2.987 3.943 1.00 . A A . 4 LYS NZ 1 1 7 3185 1 1 4 LYS O O -22.836 7.285 3.235 1.00 . A A . 4 LYS O 1 1 7 3186 1 1 5 HIS C C -20.201 5.110 3.754 1.00 . A A . 5 HIS C 1 1 7 3187 1 1 5 HIS CA C -20.626 6.317 4.590 1.00 . A A . 5 HIS CA 1 1 7 3188 1 1 5 HIS CB C -19.718 6.487 5.814 1.00 . A A . 5 HIS CB 1 1 7 3189 1 1 5 HIS CD2 C -17.927 8.019 4.722 1.00 . A A . 5 HIS CD2 1 1 7 3190 1 1 5 HIS CE1 C -16.137 7.055 5.540 1.00 . A A . 5 HIS CE1 1 1 7 3191 1 1 5 HIS CG C -18.338 6.981 5.488 1.00 . A A . 5 HIS CG 1 1 7 3192 1 1 5 HIS H H -22.214 5.700 5.847 1.00 . A A . 5 HIS H 1 1 7 3193 1 1 5 HIS HA H -20.556 7.204 3.978 1.00 . A A . 5 HIS HA 1 1 7 3194 1 1 5 HIS HB2 H -20.172 7.193 6.492 1.00 . A A . 5 HIS HB2 1 1 7 3195 1 1 5 HIS HB3 H -19.622 5.533 6.315 1.00 . A A . 5 HIS HB3 1 1 7 3196 1 1 5 HIS HD1 H -17.158 5.617 6.581 1.00 . A A . 5 HIS HD1 1 1 7 3197 1 1 5 HIS HD2 H -18.560 8.703 4.177 1.00 . A A . 5 HIS HD2 1 1 7 3198 1 1 5 HIS HE1 H -15.107 6.825 5.766 1.00 . A A . 5 HIS HE1 1 1 7 3199 1 1 5 HIS HE2 H -15.978 8.705 4.333 1.00 . A A . 5 HIS HE2 1 1 7 3200 1 1 5 HIS N N -22.012 6.182 5.013 1.00 . A A . 5 HIS N 1 1 7 3201 1 1 5 HIS ND1 N -17.193 6.398 5.984 1.00 . A A . 5 HIS ND1 1 1 7 3202 1 1 5 HIS NE2 N -16.556 8.041 4.773 1.00 . A A . 5 HIS NE2 1 1 7 3203 1 1 5 HIS O O -19.023 4.938 3.436 1.00 . A A . 5 HIS O 1 1 7 3204 1 1 6 GLY C C -20.541 1.884 3.294 1.00 . A A . 6 GLY C 1 1 7 3205 1 1 6 GLY CA C -20.904 3.143 2.537 1.00 . A A . 6 GLY CA 1 1 7 3206 1 1 6 GLY H H -22.070 4.407 3.768 1.00 . A A . 6 GLY H 1 1 7 3207 1 1 6 GLY HA2 H -21.787 2.950 1.944 1.00 . A A . 6 GLY HA2 1 1 7 3208 1 1 6 GLY HA3 H -20.089 3.400 1.877 1.00 . A A . 6 GLY HA3 1 1 7 3209 1 1 6 GLY N N -21.167 4.268 3.413 1.00 . A A . 6 GLY N 1 1 7 3210 1 1 6 GLY O O -21.225 0.867 3.175 1.00 . A A . 6 GLY O 1 1 7 3211 1 1 7 LYS C C -18.709 -0.368 3.935 1.00 . A A . 7 LYS C 1 1 7 3212 1 1 7 LYS CA C -18.961 0.841 4.839 1.00 . A A . 7 LYS CA 1 1 7 3213 1 1 7 LYS CB C -19.934 0.504 5.960 1.00 . A A . 7 LYS CB 1 1 7 3214 1 1 7 LYS CD C -18.230 0.630 7.833 1.00 . A A . 7 LYS CD 1 1 7 3215 1 1 7 LYS CE C -18.816 1.639 8.817 1.00 . A A . 7 LYS CE 1 1 7 3216 1 1 7 LYS CG C -19.308 -0.202 7.142 1.00 . A A . 7 LYS CG 1 1 7 3217 1 1 7 LYS H H -19.060 2.833 4.229 1.00 . A A . 7 LYS H 1 1 7 3218 1 1 7 LYS HA H -18.022 1.141 5.273 1.00 . A A . 7 LYS HA 1 1 7 3219 1 1 7 LYS HB2 H -20.381 1.419 6.314 1.00 . A A . 7 LYS HB2 1 1 7 3220 1 1 7 LYS HB3 H -20.712 -0.130 5.561 1.00 . A A . 7 LYS HB3 1 1 7 3221 1 1 7 LYS HD2 H -17.571 -0.035 8.372 1.00 . A A . 7 LYS HD2 1 1 7 3222 1 1 7 LYS HD3 H -17.667 1.160 7.084 1.00 . A A . 7 LYS HD3 1 1 7 3223 1 1 7 LYS HE2 H -19.452 1.111 9.509 1.00 . A A . 7 LYS HE2 1 1 7 3224 1 1 7 LYS HE3 H -18.005 2.099 9.360 1.00 . A A . 7 LYS HE3 1 1 7 3225 1 1 7 LYS HG2 H -20.084 -0.396 7.846 1.00 . A A . 7 LYS HG2 1 1 7 3226 1 1 7 LYS HG3 H -18.876 -1.134 6.810 1.00 . A A . 7 LYS HG3 1 1 7 3227 1 1 7 LYS HZ1 H -19.852 3.453 8.831 1.00 . A A . 7 LYS HZ1 1 1 7 3228 1 1 7 LYS HZ2 H -20.502 2.302 7.780 1.00 . A A . 7 LYS HZ2 1 1 7 3229 1 1 7 LYS HZ3 H -19.079 3.118 7.364 1.00 . A A . 7 LYS HZ3 1 1 7 3230 1 1 7 LYS N N -19.481 1.969 4.095 1.00 . A A . 7 LYS N 1 1 7 3231 1 1 7 LYS NZ N -19.616 2.701 8.150 1.00 . A A . 7 LYS NZ 1 1 7 3232 1 1 7 LYS O O -18.902 -1.514 4.338 1.00 . A A . 7 LYS O 1 1 7 3233 1 1 8 ASN C C -16.967 -0.708 0.695 1.00 . A A . 8 ASN C 1 1 7 3234 1 1 8 ASN CA C -17.948 -1.178 1.770 1.00 . A A . 8 ASN CA 1 1 7 3235 1 1 8 ASN CB C -19.226 -1.747 1.124 1.00 . A A . 8 ASN CB 1 1 7 3236 1 1 8 ASN CG C -19.954 -0.771 0.210 1.00 . A A . 8 ASN CG 1 1 7 3237 1 1 8 ASN H H -18.146 0.827 2.434 1.00 . A A . 8 ASN H 1 1 7 3238 1 1 8 ASN HA H -17.472 -1.966 2.336 1.00 . A A . 8 ASN HA 1 1 7 3239 1 1 8 ASN HB2 H -18.964 -2.616 0.541 1.00 . A A . 8 ASN HB2 1 1 7 3240 1 1 8 ASN HB3 H -19.905 -2.045 1.908 1.00 . A A . 8 ASN HB3 1 1 7 3241 1 1 8 ASN HD21 H -21.081 -0.700 -1.426 1.00 . A A . 8 ASN HD21 1 1 7 3242 1 1 8 ASN HD22 H -20.565 -2.275 -0.933 1.00 . A A . 8 ASN HD22 1 1 7 3243 1 1 8 ASN N N -18.264 -0.107 2.709 1.00 . A A . 8 ASN N 1 1 7 3244 1 1 8 ASN ND2 N -20.597 -1.301 -0.820 1.00 . A A . 8 ASN ND2 1 1 7 3245 1 1 8 ASN O O -16.001 -1.404 0.385 1.00 . A A . 8 ASN O 1 1 7 3246 1 1 8 ASN OD1 O -19.938 0.443 0.419 1.00 . A A . 8 ASN OD1 1 1 7 3247 1 1 9 SER C C -14.951 1.266 -0.465 1.00 . A A . 9 SER C 1 1 7 3248 1 1 9 SER CA C -16.381 1.019 -0.926 1.00 . A A . 9 SER CA 1 1 7 3249 1 1 9 SER CB C -17.001 2.312 -1.461 1.00 . A A . 9 SER CB 1 1 7 3250 1 1 9 SER H H -17.952 1.018 0.489 1.00 . A A . 9 SER H 1 1 7 3251 1 1 9 SER HA H -16.357 0.288 -1.716 1.00 . A A . 9 SER HA 1 1 7 3252 1 1 9 SER HB2 H -18.030 2.131 -1.725 1.00 . A A . 9 SER HB2 1 1 7 3253 1 1 9 SER HB3 H -16.956 3.072 -0.695 1.00 . A A . 9 SER HB3 1 1 7 3254 1 1 9 SER HG H -16.169 3.731 -2.528 1.00 . A A . 9 SER HG 1 1 7 3255 1 1 9 SER N N -17.198 0.485 0.157 1.00 . A A . 9 SER N 1 1 7 3256 1 1 9 SER O O -14.024 1.292 -1.281 1.00 . A A . 9 SER O 1 1 7 3257 1 1 9 SER OG O -16.315 2.780 -2.609 1.00 . A A . 9 SER OG 1 1 7 3258 1 1 10 TRP C C -12.535 0.451 1.048 1.00 . A A . 10 TRP C 1 1 7 3259 1 1 10 TRP CA C -13.439 1.621 1.392 1.00 . A A . 10 TRP CA 1 1 7 3260 1 1 10 TRP CB C -13.461 1.757 2.906 1.00 . A A . 10 TRP CB 1 1 7 3261 1 1 10 TRP CD1 C -15.259 0.173 3.801 1.00 . A A . 10 TRP CD1 1 1 7 3262 1 1 10 TRP CD2 C -13.163 -0.443 4.111 1.00 . A A . 10 TRP CD2 1 1 7 3263 1 1 10 TRP CE2 C -13.974 -1.421 4.677 1.00 . A A . 10 TRP CE2 1 1 7 3264 1 1 10 TRP CE3 C -11.805 -0.569 4.147 1.00 . A A . 10 TRP CE3 1 1 7 3265 1 1 10 TRP CG C -13.977 0.552 3.584 1.00 . A A . 10 TRP CG 1 1 7 3266 1 1 10 TRP CH2 C -12.075 -2.642 5.318 1.00 . A A . 10 TRP CH2 1 1 7 3267 1 1 10 TRP CZ2 C -13.437 -2.539 5.290 1.00 . A A . 10 TRP CZ2 1 1 7 3268 1 1 10 TRP CZ3 C -11.265 -1.660 4.745 1.00 . A A . 10 TRP CZ3 1 1 7 3269 1 1 10 TRP H H -15.545 1.423 1.437 1.00 . A A . 10 TRP H 1 1 7 3270 1 1 10 TRP HA H -13.029 2.521 0.962 1.00 . A A . 10 TRP HA 1 1 7 3271 1 1 10 TRP HB2 H -12.447 1.904 3.245 1.00 . A A . 10 TRP HB2 1 1 7 3272 1 1 10 TRP HB3 H -14.031 2.584 3.205 1.00 . A A . 10 TRP HB3 1 1 7 3273 1 1 10 TRP HD1 H -16.115 0.738 3.482 1.00 . A A . 10 TRP HD1 1 1 7 3274 1 1 10 TRP HE1 H -16.076 -1.518 4.770 1.00 . A A . 10 TRP HE1 1 1 7 3275 1 1 10 TRP HE3 H -11.174 0.177 3.685 1.00 . A A . 10 TRP HE3 1 1 7 3276 1 1 10 TRP HH2 H -11.607 -3.490 5.778 1.00 . A A . 10 TRP HH2 1 1 7 3277 1 1 10 TRP HZ2 H -14.052 -3.296 5.731 1.00 . A A . 10 TRP HZ2 1 1 7 3278 1 1 10 TRP HZ3 H -10.206 -1.756 4.782 1.00 . A A . 10 TRP HZ3 1 1 7 3279 1 1 10 TRP N N -14.769 1.427 0.839 1.00 . A A . 10 TRP N 1 1 7 3280 1 1 10 TRP NE1 N -15.274 -1.027 4.477 1.00 . A A . 10 TRP NE1 1 1 7 3281 1 1 10 TRP O O -11.359 0.619 0.884 1.00 . A A . 10 TRP O 1 1 7 3282 1 1 11 LYS C C -11.529 -1.770 -0.614 1.00 . A A . 11 LYS C 1 1 7 3283 1 1 11 LYS CA C -12.298 -1.932 0.687 1.00 . A A . 11 LYS CA 1 1 7 3284 1 1 11 LYS CB C -13.243 -3.100 0.589 1.00 . A A . 11 LYS CB 1 1 7 3285 1 1 11 LYS CD C -14.075 -5.255 1.579 1.00 . A A . 11 LYS CD 1 1 7 3286 1 1 11 LYS CE C -15.528 -4.804 1.599 1.00 . A A . 11 LYS CE 1 1 7 3287 1 1 11 LYS CG C -13.122 -4.080 1.735 1.00 . A A . 11 LYS CG 1 1 7 3288 1 1 11 LYS H H -14.056 -0.825 1.101 1.00 . A A . 11 LYS H 1 1 7 3289 1 1 11 LYS HA H -11.601 -2.092 1.502 1.00 . A A . 11 LYS HA 1 1 7 3290 1 1 11 LYS HB2 H -14.243 -2.701 0.603 1.00 . A A . 11 LYS HB2 1 1 7 3291 1 1 11 LYS HB3 H -13.076 -3.615 -0.346 1.00 . A A . 11 LYS HB3 1 1 7 3292 1 1 11 LYS HD2 H -13.874 -5.745 0.637 1.00 . A A . 11 LYS HD2 1 1 7 3293 1 1 11 LYS HD3 H -13.911 -5.950 2.389 1.00 . A A . 11 LYS HD3 1 1 7 3294 1 1 11 LYS HE2 H -15.709 -4.269 2.520 1.00 . A A . 11 LYS HE2 1 1 7 3295 1 1 11 LYS HE3 H -15.700 -4.146 0.761 1.00 . A A . 11 LYS HE3 1 1 7 3296 1 1 11 LYS HG2 H -12.108 -4.450 1.778 1.00 . A A . 11 LYS HG2 1 1 7 3297 1 1 11 LYS HG3 H -13.358 -3.555 2.651 1.00 . A A . 11 LYS HG3 1 1 7 3298 1 1 11 LYS HZ1 H -17.446 -5.618 1.486 1.00 . A A . 11 LYS HZ1 1 1 7 3299 1 1 11 LYS HZ2 H -16.349 -6.575 2.339 1.00 . A A . 11 LYS HZ2 1 1 7 3300 1 1 11 LYS HZ3 H -16.276 -6.506 0.650 1.00 . A A . 11 LYS HZ3 1 1 7 3301 1 1 11 LYS N N -13.088 -0.739 0.969 1.00 . A A . 11 LYS N 1 1 7 3302 1 1 11 LYS NZ N -16.464 -5.956 1.512 1.00 . A A . 11 LYS NZ 1 1 7 3303 1 1 11 LYS O O -10.360 -2.139 -0.726 1.00 . A A . 11 LYS O 1 1 7 3304 1 1 12 THR C C -10.568 0.237 -2.725 1.00 . A A . 12 THR C 1 1 7 3305 1 1 12 THR CA C -11.636 -0.862 -2.860 1.00 . A A . 12 THR CA 1 1 7 3306 1 1 12 THR CB C -12.785 -0.444 -3.793 1.00 . A A . 12 THR CB 1 1 7 3307 1 1 12 THR CG2 C -12.327 0.446 -4.933 1.00 . A A . 12 THR CG2 1 1 7 3308 1 1 12 THR H H -13.131 -0.914 -1.383 1.00 . A A . 12 THR H 1 1 7 3309 1 1 12 THR HA H -11.178 -1.758 -3.255 1.00 . A A . 12 THR HA 1 1 7 3310 1 1 12 THR HB H -13.502 0.100 -3.195 1.00 . A A . 12 THR HB 1 1 7 3311 1 1 12 THR HG1 H -12.783 -2.311 -4.439 1.00 . A A . 12 THR HG1 1 1 7 3312 1 1 12 THR HG21 H -11.642 -0.097 -5.565 1.00 . A A . 12 THR HG21 1 1 7 3313 1 1 12 THR HG22 H -11.833 1.317 -4.529 1.00 . A A . 12 THR HG22 1 1 7 3314 1 1 12 THR HG23 H -13.186 0.757 -5.508 1.00 . A A . 12 THR HG23 1 1 7 3315 1 1 12 THR N N -12.202 -1.173 -1.565 1.00 . A A . 12 THR N 1 1 7 3316 1 1 12 THR O O -9.584 0.275 -3.466 1.00 . A A . 12 THR O 1 1 7 3317 1 1 12 THR OG1 O -13.438 -1.610 -4.312 1.00 . A A . 12 THR OG1 1 1 7 3318 1 1 13 LEU C C -8.650 1.490 -0.581 1.00 . A A . 13 LEU C 1 1 7 3319 1 1 13 LEU CA C -9.793 2.122 -1.361 1.00 . A A . 13 LEU CA 1 1 7 3320 1 1 13 LEU CB C -10.493 3.173 -0.475 1.00 . A A . 13 LEU CB 1 1 7 3321 1 1 13 LEU CD1 C -9.551 5.073 0.869 1.00 . A A . 13 LEU CD1 1 1 7 3322 1 1 13 LEU CD2 C -10.533 3.094 2.054 1.00 . A A . 13 LEU CD2 1 1 7 3323 1 1 13 LEU CG C -9.761 3.569 0.818 1.00 . A A . 13 LEU CG 1 1 7 3324 1 1 13 LEU H H -11.611 1.053 -1.242 1.00 . A A . 13 LEU H 1 1 7 3325 1 1 13 LEU HA H -9.407 2.590 -2.256 1.00 . A A . 13 LEU HA 1 1 7 3326 1 1 13 LEU HB2 H -10.648 4.061 -1.059 1.00 . A A . 13 LEU HB2 1 1 7 3327 1 1 13 LEU HB3 H -11.457 2.773 -0.191 1.00 . A A . 13 LEU HB3 1 1 7 3328 1 1 13 LEU HD11 H -10.508 5.574 0.826 1.00 . A A . 13 LEU HD11 1 1 7 3329 1 1 13 LEU HD12 H -8.947 5.381 0.028 1.00 . A A . 13 LEU HD12 1 1 7 3330 1 1 13 LEU HD13 H -9.050 5.333 1.787 1.00 . A A . 13 LEU HD13 1 1 7 3331 1 1 13 LEU HD21 H -10.691 2.018 1.998 1.00 . A A . 13 LEU HD21 1 1 7 3332 1 1 13 LEU HD22 H -11.496 3.585 2.096 1.00 . A A . 13 LEU HD22 1 1 7 3333 1 1 13 LEU HD23 H -9.974 3.325 2.946 1.00 . A A . 13 LEU HD23 1 1 7 3334 1 1 13 LEU HG H -8.794 3.096 0.829 1.00 . A A . 13 LEU HG 1 1 7 3335 1 1 13 LEU N N -10.769 1.102 -1.741 1.00 . A A . 13 LEU N 1 1 7 3336 1 1 13 LEU O O -7.503 1.930 -0.631 1.00 . A A . 13 LEU O 1 1 7 3337 1 1 14 TYR C C -7.119 -1.060 0.628 1.00 . A A . 14 TYR C 1 1 7 3338 1 1 14 TYR CA C -8.168 -0.113 1.161 1.00 . A A . 14 TYR CA 1 1 7 3339 1 1 14 TYR CB C -9.049 -0.836 2.164 1.00 . A A . 14 TYR CB 1 1 7 3340 1 1 14 TYR CD1 C -7.703 -2.570 3.334 1.00 . A A . 14 TYR CD1 1 1 7 3341 1 1 14 TYR CD2 C -8.075 -0.494 4.432 1.00 . A A . 14 TYR CD2 1 1 7 3342 1 1 14 TYR CE1 C -6.937 -3.005 4.380 1.00 . A A . 14 TYR CE1 1 1 7 3343 1 1 14 TYR CE2 C -7.316 -0.917 5.500 1.00 . A A . 14 TYR CE2 1 1 7 3344 1 1 14 TYR CG C -8.276 -1.316 3.341 1.00 . A A . 14 TYR CG 1 1 7 3345 1 1 14 TYR CZ C -6.741 -2.176 5.470 1.00 . A A . 14 TYR CZ 1 1 7 3346 1 1 14 TYR H H -9.856 0.008 -0.072 1.00 . A A . 14 TYR H 1 1 7 3347 1 1 14 TYR HA H -7.677 0.708 1.659 1.00 . A A . 14 TYR HA 1 1 7 3348 1 1 14 TYR HB2 H -9.815 -0.165 2.510 1.00 . A A . 14 TYR HB2 1 1 7 3349 1 1 14 TYR HB3 H -9.504 -1.691 1.687 1.00 . A A . 14 TYR HB3 1 1 7 3350 1 1 14 TYR HD1 H -7.869 -3.210 2.483 1.00 . A A . 14 TYR HD1 1 1 7 3351 1 1 14 TYR HD2 H -8.548 0.488 4.447 1.00 . A A . 14 TYR HD2 1 1 7 3352 1 1 14 TYR HE1 H -6.497 -3.989 4.339 1.00 . A A . 14 TYR HE1 1 1 7 3353 1 1 14 TYR HE2 H -7.161 -0.262 6.339 1.00 . A A . 14 TYR HE2 1 1 7 3354 1 1 14 TYR HH H -6.353 -2.282 7.353 1.00 . A A . 14 TYR HH 1 1 7 3355 1 1 14 TYR N N -8.991 0.432 0.116 1.00 . A A . 14 TYR N 1 1 7 3356 1 1 14 TYR O O -5.982 -1.056 1.081 1.00 . A A . 14 TYR O 1 1 7 3357 1 1 14 TYR OH O -5.968 -2.600 6.527 1.00 . A A . 14 TYR OH 1 1 7 3358 1 1 15 LEU C C -5.683 -2.055 -1.885 1.00 . A A . 15 LEU C 1 1 7 3359 1 1 15 LEU CA C -6.559 -2.811 -0.902 1.00 . A A . 15 LEU CA 1 1 7 3360 1 1 15 LEU CB C -7.291 -3.963 -1.565 1.00 . A A . 15 LEU CB 1 1 7 3361 1 1 15 LEU CD1 C -9.224 -5.550 -1.514 1.00 . A A . 15 LEU CD1 1 1 7 3362 1 1 15 LEU CD2 C -7.698 -5.380 0.454 1.00 . A A . 15 LEU CD2 1 1 7 3363 1 1 15 LEU CG C -8.353 -4.621 -0.689 1.00 . A A . 15 LEU CG 1 1 7 3364 1 1 15 LEU H H -8.420 -1.867 -0.637 1.00 . A A . 15 LEU H 1 1 7 3365 1 1 15 LEU HA H -5.942 -3.196 -0.104 1.00 . A A . 15 LEU HA 1 1 7 3366 1 1 15 LEU HB2 H -7.755 -3.609 -2.473 1.00 . A A . 15 LEU HB2 1 1 7 3367 1 1 15 LEU HB3 H -6.561 -4.711 -1.811 1.00 . A A . 15 LEU HB3 1 1 7 3368 1 1 15 LEU HD11 H -9.983 -5.988 -0.883 1.00 . A A . 15 LEU HD11 1 1 7 3369 1 1 15 LEU HD12 H -8.613 -6.333 -1.937 1.00 . A A . 15 LEU HD12 1 1 7 3370 1 1 15 LEU HD13 H -9.695 -4.991 -2.308 1.00 . A A . 15 LEU HD13 1 1 7 3371 1 1 15 LEU HD21 H -7.070 -6.162 0.052 1.00 . A A . 15 LEU HD21 1 1 7 3372 1 1 15 LEU HD22 H -8.462 -5.818 1.080 1.00 . A A . 15 LEU HD22 1 1 7 3373 1 1 15 LEU HD23 H -7.097 -4.700 1.040 1.00 . A A . 15 LEU HD23 1 1 7 3374 1 1 15 LEU HG H -8.980 -3.853 -0.265 1.00 . A A . 15 LEU HG 1 1 7 3375 1 1 15 LEU N N -7.498 -1.884 -0.319 1.00 . A A . 15 LEU N 1 1 7 3376 1 1 15 LEU O O -4.646 -2.539 -2.334 1.00 . A A . 15 LEU O 1 1 7 3377 1 1 16 LYS C C -4.310 0.673 -1.888 1.00 . A A . 16 LYS C 1 1 7 3378 1 1 16 LYS CA C -5.327 0.128 -2.889 1.00 . A A . 16 LYS CA 1 1 7 3379 1 1 16 LYS CB C -6.261 1.225 -3.437 1.00 . A A . 16 LYS CB 1 1 7 3380 1 1 16 LYS CD C -5.169 3.395 -2.866 1.00 . A A . 16 LYS CD 1 1 7 3381 1 1 16 LYS CE C -4.760 4.770 -3.376 1.00 . A A . 16 LYS CE 1 1 7 3382 1 1 16 LYS CG C -5.575 2.463 -3.991 1.00 . A A . 16 LYS CG 1 1 7 3383 1 1 16 LYS H H -7.032 -0.589 -1.923 1.00 . A A . 16 LYS H 1 1 7 3384 1 1 16 LYS HA H -4.812 -0.363 -3.703 1.00 . A A . 16 LYS HA 1 1 7 3385 1 1 16 LYS HB2 H -6.869 0.804 -4.221 1.00 . A A . 16 LYS HB2 1 1 7 3386 1 1 16 LYS HB3 H -6.912 1.541 -2.635 1.00 . A A . 16 LYS HB3 1 1 7 3387 1 1 16 LYS HD2 H -6.005 3.498 -2.191 1.00 . A A . 16 LYS HD2 1 1 7 3388 1 1 16 LYS HD3 H -4.338 2.947 -2.339 1.00 . A A . 16 LYS HD3 1 1 7 3389 1 1 16 LYS HE2 H -4.359 5.340 -2.551 1.00 . A A . 16 LYS HE2 1 1 7 3390 1 1 16 LYS HE3 H -3.997 4.644 -4.130 1.00 . A A . 16 LYS HE3 1 1 7 3391 1 1 16 LYS HG2 H -4.692 2.164 -4.538 1.00 . A A . 16 LYS HG2 1 1 7 3392 1 1 16 LYS HG3 H -6.255 2.980 -4.650 1.00 . A A . 16 LYS HG3 1 1 7 3393 1 1 16 LYS HZ1 H -6.663 5.625 -3.262 1.00 . A A . 16 LYS HZ1 1 1 7 3394 1 1 16 LYS HZ2 H -6.286 5.001 -4.786 1.00 . A A . 16 LYS HZ2 1 1 7 3395 1 1 16 LYS HZ3 H -5.598 6.455 -4.277 1.00 . A A . 16 LYS HZ3 1 1 7 3396 1 1 16 LYS N N -6.128 -0.845 -2.194 1.00 . A A . 16 LYS N 1 1 7 3397 1 1 16 LYS NZ N -5.905 5.511 -3.966 1.00 . A A . 16 LYS NZ 1 1 7 3398 1 1 16 LYS O O -3.126 0.816 -2.191 1.00 . A A . 16 LYS O 1 1 7 3399 1 1 17 ILE C C -2.920 0.325 0.766 1.00 . A A . 17 ILE C 1 1 7 3400 1 1 17 ILE CA C -3.970 1.381 0.425 1.00 . A A . 17 ILE CA 1 1 7 3401 1 1 17 ILE CB C -4.855 1.693 1.660 1.00 . A A . 17 ILE CB 1 1 7 3402 1 1 17 ILE CD1 C -6.347 3.485 2.698 1.00 . A A . 17 ILE CD1 1 1 7 3403 1 1 17 ILE CG1 C -5.423 3.112 1.556 1.00 . A A . 17 ILE CG1 1 1 7 3404 1 1 17 ILE CG2 C -4.100 1.498 2.962 1.00 . A A . 17 ILE CG2 1 1 7 3405 1 1 17 ILE H H -5.758 0.840 -0.521 1.00 . A A . 17 ILE H 1 1 7 3406 1 1 17 ILE HA H -3.476 2.285 0.124 1.00 . A A . 17 ILE HA 1 1 7 3407 1 1 17 ILE HB H -5.678 0.995 1.655 1.00 . A A . 17 ILE HB 1 1 7 3408 1 1 17 ILE HD11 H -7.191 2.811 2.712 1.00 . A A . 17 ILE HD11 1 1 7 3409 1 1 17 ILE HD12 H -6.696 4.498 2.561 1.00 . A A . 17 ILE HD12 1 1 7 3410 1 1 17 ILE HD13 H -5.810 3.411 3.631 1.00 . A A . 17 ILE HD13 1 1 7 3411 1 1 17 ILE HG12 H -4.608 3.820 1.548 1.00 . A A . 17 ILE HG12 1 1 7 3412 1 1 17 ILE HG13 H -5.981 3.203 0.634 1.00 . A A . 17 ILE HG13 1 1 7 3413 1 1 17 ILE HG21 H -3.689 0.500 2.984 1.00 . A A . 17 ILE HG21 1 1 7 3414 1 1 17 ILE HG22 H -4.780 1.625 3.794 1.00 . A A . 17 ILE HG22 1 1 7 3415 1 1 17 ILE HG23 H -3.301 2.220 3.029 1.00 . A A . 17 ILE HG23 1 1 7 3416 1 1 17 ILE N N -4.798 0.940 -0.679 1.00 . A A . 17 ILE N 1 1 7 3417 1 1 17 ILE O O -1.743 0.638 0.940 1.00 . A A . 17 ILE O 1 1 7 3418 1 1 18 SER C C -1.415 -2.150 0.030 1.00 . A A . 18 SER C 1 1 7 3419 1 1 18 SER CA C -2.472 -2.041 1.120 1.00 . A A . 18 SER CA 1 1 7 3420 1 1 18 SER CB C -3.276 -3.342 1.190 1.00 . A A . 18 SER CB 1 1 7 3421 1 1 18 SER H H -4.319 -1.097 0.718 1.00 . A A . 18 SER H 1 1 7 3422 1 1 18 SER HA H -1.992 -1.863 2.068 1.00 . A A . 18 SER HA 1 1 7 3423 1 1 18 SER HB2 H -4.208 -3.162 1.704 1.00 . A A . 18 SER HB2 1 1 7 3424 1 1 18 SER HB3 H -3.478 -3.687 0.182 1.00 . A A . 18 SER HB3 1 1 7 3425 1 1 18 SER HG H -2.661 -5.192 1.409 1.00 . A A . 18 SER HG 1 1 7 3426 1 1 18 SER N N -3.359 -0.924 0.840 1.00 . A A . 18 SER N 1 1 7 3427 1 1 18 SER O O -0.233 -2.354 0.312 1.00 . A A . 18 SER O 1 1 7 3428 1 1 18 SER OG O -2.562 -4.354 1.879 1.00 . A A . 18 SER OG 1 1 7 3429 1 1 19 PHE C C 0.113 -1.052 -2.342 1.00 . A A . 19 PHE C 1 1 7 3430 1 1 19 PHE CA C -0.973 -2.118 -2.360 1.00 . A A . 19 PHE CA 1 1 7 3431 1 1 19 PHE CB C -1.774 -2.011 -3.653 1.00 . A A . 19 PHE CB 1 1 7 3432 1 1 19 PHE CD1 C -0.785 -3.652 -5.249 1.00 . A A . 19 PHE CD1 1 1 7 3433 1 1 19 PHE CD2 C -0.361 -1.335 -5.610 1.00 . A A . 19 PHE CD2 1 1 7 3434 1 1 19 PHE CE1 C -0.026 -3.967 -6.359 1.00 . A A . 19 PHE CE1 1 1 7 3435 1 1 19 PHE CE2 C 0.398 -1.641 -6.723 1.00 . A A . 19 PHE CE2 1 1 7 3436 1 1 19 PHE CG C -0.960 -2.336 -4.865 1.00 . A A . 19 PHE CG 1 1 7 3437 1 1 19 PHE CZ C 0.565 -2.959 -7.097 1.00 . A A . 19 PHE CZ 1 1 7 3438 1 1 19 PHE H H -2.798 -1.781 -1.362 1.00 . A A . 19 PHE H 1 1 7 3439 1 1 19 PHE HA H -0.508 -3.091 -2.315 1.00 . A A . 19 PHE HA 1 1 7 3440 1 1 19 PHE HB2 H -2.607 -2.697 -3.614 1.00 . A A . 19 PHE HB2 1 1 7 3441 1 1 19 PHE HB3 H -2.147 -0.999 -3.758 1.00 . A A . 19 PHE HB3 1 1 7 3442 1 1 19 PHE HD1 H -1.252 -4.438 -4.668 1.00 . A A . 19 PHE HD1 1 1 7 3443 1 1 19 PHE HD2 H -0.491 -0.302 -5.312 1.00 . A A . 19 PHE HD2 1 1 7 3444 1 1 19 PHE HE1 H 0.105 -4.999 -6.649 1.00 . A A . 19 PHE HE1 1 1 7 3445 1 1 19 PHE HE2 H 0.860 -0.852 -7.296 1.00 . A A . 19 PHE HE2 1 1 7 3446 1 1 19 PHE HZ H 1.161 -3.202 -7.964 1.00 . A A . 19 PHE HZ 1 1 7 3447 1 1 19 PHE N N -1.852 -1.990 -1.212 1.00 . A A . 19 PHE N 1 1 7 3448 1 1 19 PHE O O 1.304 -1.364 -2.325 1.00 . A A . 19 PHE O 1 1 7 3449 1 1 20 LEU C C 1.462 1.326 -1.076 1.00 . A A . 20 LEU C 1 1 7 3450 1 1 20 LEU CA C 0.631 1.320 -2.347 1.00 . A A . 20 LEU CA 1 1 7 3451 1 1 20 LEU CB C -0.112 2.647 -2.517 1.00 . A A . 20 LEU CB 1 1 7 3452 1 1 20 LEU CD1 C -1.457 2.000 -4.529 1.00 . A A . 20 LEU CD1 1 1 7 3453 1 1 20 LEU CD2 C -1.056 4.413 -4.033 1.00 . A A . 20 LEU CD2 1 1 7 3454 1 1 20 LEU CG C -0.479 3.006 -3.958 1.00 . A A . 20 LEU CG 1 1 7 3455 1 1 20 LEU H H -1.266 0.395 -2.367 1.00 . A A . 20 LEU H 1 1 7 3456 1 1 20 LEU HA H 1.296 1.187 -3.187 1.00 . A A . 20 LEU HA 1 1 7 3457 1 1 20 LEU HB2 H -1.024 2.593 -1.943 1.00 . A A . 20 LEU HB2 1 1 7 3458 1 1 20 LEU HB3 H 0.503 3.437 -2.116 1.00 . A A . 20 LEU HB3 1 1 7 3459 1 1 20 LEU HD11 H -1.492 2.098 -5.603 1.00 . A A . 20 LEU HD11 1 1 7 3460 1 1 20 LEU HD12 H -2.439 2.182 -4.118 1.00 . A A . 20 LEU HD12 1 1 7 3461 1 1 20 LEU HD13 H -1.135 1.006 -4.262 1.00 . A A . 20 LEU HD13 1 1 7 3462 1 1 20 LEU HD21 H -1.320 4.639 -5.055 1.00 . A A . 20 LEU HD21 1 1 7 3463 1 1 20 LEU HD22 H -0.320 5.122 -3.685 1.00 . A A . 20 LEU HD22 1 1 7 3464 1 1 20 LEU HD23 H -1.936 4.475 -3.411 1.00 . A A . 20 LEU HD23 1 1 7 3465 1 1 20 LEU HG H 0.413 2.976 -4.561 1.00 . A A . 20 LEU HG 1 1 7 3466 1 1 20 LEU N N -0.302 0.207 -2.351 1.00 . A A . 20 LEU N 1 1 7 3467 1 1 20 LEU O O 2.631 1.689 -1.099 1.00 . A A . 20 LEU O 1 1 7 3468 1 1 21 GLY C C 2.701 -0.268 1.161 1.00 . A A . 21 GLY C 1 1 7 3469 1 1 21 GLY CA C 1.604 0.776 1.266 1.00 . A A . 21 GLY CA 1 1 7 3470 1 1 21 GLY H H -0.096 0.687 0.010 1.00 . A A . 21 GLY H 1 1 7 3471 1 1 21 GLY HA2 H 2.050 1.731 1.507 1.00 . A A . 21 GLY HA2 1 1 7 3472 1 1 21 GLY HA3 H 0.925 0.493 2.056 1.00 . A A . 21 GLY HA3 1 1 7 3473 1 1 21 GLY N N 0.863 0.903 0.028 1.00 . A A . 21 GLY N 1 1 7 3474 1 1 21 GLY O O 3.744 -0.150 1.799 1.00 . A A . 21 GLY O 1 1 7 3475 1 1 22 CYS C C 4.554 -1.844 -0.812 1.00 . A A . 22 CYS C 1 1 7 3476 1 1 22 CYS CA C 3.441 -2.336 0.112 1.00 . A A . 22 CYS CA 1 1 7 3477 1 1 22 CYS CB C 2.756 -3.570 -0.484 1.00 . A A . 22 CYS CB 1 1 7 3478 1 1 22 CYS H H 1.601 -1.327 -0.123 1.00 . A A . 22 CYS H 1 1 7 3479 1 1 22 CYS HA H 3.871 -2.599 1.068 1.00 . A A . 22 CYS HA 1 1 7 3480 1 1 22 CYS HB2 H 1.922 -3.848 0.145 1.00 . A A . 22 CYS HB2 1 1 7 3481 1 1 22 CYS HB3 H 2.386 -3.324 -1.468 1.00 . A A . 22 CYS HB3 1 1 7 3482 1 1 22 CYS HG H 3.266 -6.018 0.030 1.00 . A A . 22 CYS HG 1 1 7 3483 1 1 22 CYS N N 2.464 -1.281 0.341 1.00 . A A . 22 CYS N 1 1 7 3484 1 1 22 CYS O O 5.650 -2.400 -0.830 1.00 . A A . 22 CYS O 1 1 7 3485 1 1 22 CYS SG S 3.826 -5.020 -0.643 1.00 . A A . 22 CYS SG 1 1 7 3486 1 1 23 LYS C C 6.028 0.901 -1.627 1.00 . A A . 23 LYS C 1 1 7 3487 1 1 23 LYS CA C 5.318 -0.190 -2.410 1.00 . A A . 23 LYS CA 1 1 7 3488 1 1 23 LYS CB C 4.735 0.374 -3.705 1.00 . A A . 23 LYS CB 1 1 7 3489 1 1 23 LYS CD C 3.616 -0.104 -5.926 1.00 . A A . 23 LYS CD 1 1 7 3490 1 1 23 LYS CE C 4.719 0.491 -6.799 1.00 . A A . 23 LYS CE 1 1 7 3491 1 1 23 LYS CG C 4.152 -0.689 -4.622 1.00 . A A . 23 LYS CG 1 1 7 3492 1 1 23 LYS H H 3.353 -0.459 -1.637 1.00 . A A . 23 LYS H 1 1 7 3493 1 1 23 LYS HA H 6.038 -0.949 -2.649 1.00 . A A . 23 LYS HA 1 1 7 3494 1 1 23 LYS HB2 H 3.953 1.077 -3.459 1.00 . A A . 23 LYS HB2 1 1 7 3495 1 1 23 LYS HB3 H 5.515 0.888 -4.238 1.00 . A A . 23 LYS HB3 1 1 7 3496 1 1 23 LYS HD2 H 3.122 -0.886 -6.481 1.00 . A A . 23 LYS HD2 1 1 7 3497 1 1 23 LYS HD3 H 2.901 0.672 -5.689 1.00 . A A . 23 LYS HD3 1 1 7 3498 1 1 23 LYS HE2 H 5.604 -0.118 -6.698 1.00 . A A . 23 LYS HE2 1 1 7 3499 1 1 23 LYS HE3 H 4.391 0.473 -7.829 1.00 . A A . 23 LYS HE3 1 1 7 3500 1 1 23 LYS HG2 H 4.924 -1.407 -4.858 1.00 . A A . 23 LYS HG2 1 1 7 3501 1 1 23 LYS HG3 H 3.345 -1.189 -4.106 1.00 . A A . 23 LYS HG3 1 1 7 3502 1 1 23 LYS HZ1 H 5.742 2.286 -7.103 1.00 . A A . 23 LYS HZ1 1 1 7 3503 1 1 23 LYS HZ2 H 5.478 1.926 -5.477 1.00 . A A . 23 LYS HZ2 1 1 7 3504 1 1 23 LYS HZ3 H 4.202 2.484 -6.435 1.00 . A A . 23 LYS HZ3 1 1 7 3505 1 1 23 LYS N N 4.277 -0.806 -1.594 1.00 . A A . 23 LYS N 1 1 7 3506 1 1 23 LYS NZ N 5.058 1.892 -6.426 1.00 . A A . 23 LYS NZ 1 1 7 3507 1 1 23 LYS O O 7.248 1.050 -1.694 1.00 . A A . 23 LYS O 1 1 7 3508 1 1 24 VAL C C 6.261 2.162 1.316 1.00 . A A . 24 VAL C 1 1 7 3509 1 1 24 VAL CA C 5.790 2.707 -0.046 1.00 . A A . 24 VAL CA 1 1 7 3510 1 1 24 VAL CB C 4.740 3.835 0.085 1.00 . A A . 24 VAL CB 1 1 7 3511 1 1 24 VAL CG1 C 5.206 4.982 0.957 1.00 . A A . 24 VAL CG1 1 1 7 3512 1 1 24 VAL CG2 C 4.392 4.349 -1.299 1.00 . A A . 24 VAL CG2 1 1 7 3513 1 1 24 VAL H H 4.290 1.467 -0.843 1.00 . A A . 24 VAL H 1 1 7 3514 1 1 24 VAL HA H 6.651 3.110 -0.573 1.00 . A A . 24 VAL HA 1 1 7 3515 1 1 24 VAL HB H 3.856 3.425 0.518 1.00 . A A . 24 VAL HB 1 1 7 3516 1 1 24 VAL HG11 H 5.567 4.590 1.895 1.00 . A A . 24 VAL HG11 1 1 7 3517 1 1 24 VAL HG12 H 4.382 5.654 1.139 1.00 . A A . 24 VAL HG12 1 1 7 3518 1 1 24 VAL HG13 H 5.999 5.511 0.458 1.00 . A A . 24 VAL HG13 1 1 7 3519 1 1 24 VAL HG21 H 3.921 3.562 -1.866 1.00 . A A . 24 VAL HG21 1 1 7 3520 1 1 24 VAL HG22 H 5.301 4.659 -1.799 1.00 . A A . 24 VAL HG22 1 1 7 3521 1 1 24 VAL HG23 H 3.719 5.190 -1.215 1.00 . A A . 24 VAL HG23 1 1 7 3522 1 1 24 VAL N N 5.260 1.636 -0.856 1.00 . A A . 24 VAL N 1 1 7 3523 1 1 24 VAL O O 6.496 2.894 2.276 1.00 . A A . 24 VAL O 1 1 7 3524 1 1 25 VAL C C 8.580 0.061 2.045 1.00 . A A . 25 VAL C 1 1 7 3525 1 1 25 VAL CA C 7.133 0.243 2.488 1.00 . A A . 25 VAL CA 1 1 7 3526 1 1 25 VAL CB C 6.536 -1.118 2.899 1.00 . A A . 25 VAL CB 1 1 7 3527 1 1 25 VAL CG1 C 6.914 -2.212 1.912 1.00 . A A . 25 VAL CG1 1 1 7 3528 1 1 25 VAL CG2 C 6.959 -1.492 4.305 1.00 . A A . 25 VAL CG2 1 1 7 3529 1 1 25 VAL H H 5.966 0.282 0.722 1.00 . A A . 25 VAL H 1 1 7 3530 1 1 25 VAL HA H 7.098 0.911 3.336 1.00 . A A . 25 VAL HA 1 1 7 3531 1 1 25 VAL HB H 5.464 -1.019 2.889 1.00 . A A . 25 VAL HB 1 1 7 3532 1 1 25 VAL HG11 H 6.505 -1.976 0.941 1.00 . A A . 25 VAL HG11 1 1 7 3533 1 1 25 VAL HG12 H 6.522 -3.158 2.252 1.00 . A A . 25 VAL HG12 1 1 7 3534 1 1 25 VAL HG13 H 7.992 -2.271 1.839 1.00 . A A . 25 VAL HG13 1 1 7 3535 1 1 25 VAL HG21 H 6.526 -2.444 4.570 1.00 . A A . 25 VAL HG21 1 1 7 3536 1 1 25 VAL HG22 H 6.613 -0.738 4.996 1.00 . A A . 25 VAL HG22 1 1 7 3537 1 1 25 VAL HG23 H 8.035 -1.558 4.354 1.00 . A A . 25 VAL HG23 1 1 7 3538 1 1 25 VAL N N 6.390 0.851 1.398 1.00 . A A . 25 VAL N 1 1 7 3539 1 1 25 VAL O O 9.508 0.046 2.855 1.00 . A A . 25 VAL O 1 1 7 3540 1 1 26 VAL C C 10.911 0.914 0.137 1.00 . A A . 26 VAL C 1 1 7 3541 1 1 26 VAL CA C 10.030 -0.310 0.108 1.00 . A A . 26 VAL CA 1 1 7 3542 1 1 26 VAL CB C 9.828 -0.724 -1.359 1.00 . A A . 26 VAL CB 1 1 7 3543 1 1 26 VAL CG1 C 11.160 -1.004 -2.037 1.00 . A A . 26 VAL CG1 1 1 7 3544 1 1 26 VAL CG2 C 8.910 -1.933 -1.459 1.00 . A A . 26 VAL CG2 1 1 7 3545 1 1 26 VAL H H 7.964 0.073 0.151 1.00 . A A . 26 VAL H 1 1 7 3546 1 1 26 VAL HA H 10.506 -1.111 0.633 1.00 . A A . 26 VAL HA 1 1 7 3547 1 1 26 VAL HB H 9.353 0.108 -1.868 1.00 . A A . 26 VAL HB 1 1 7 3548 1 1 26 VAL HG11 H 10.989 -1.282 -3.068 1.00 . A A . 26 VAL HG11 1 1 7 3549 1 1 26 VAL HG12 H 11.661 -1.814 -1.526 1.00 . A A . 26 VAL HG12 1 1 7 3550 1 1 26 VAL HG13 H 11.775 -0.118 -2.001 1.00 . A A . 26 VAL HG13 1 1 7 3551 1 1 26 VAL HG21 H 8.764 -2.188 -2.499 1.00 . A A . 26 VAL HG21 1 1 7 3552 1 1 26 VAL HG22 H 7.955 -1.700 -1.010 1.00 . A A . 26 VAL HG22 1 1 7 3553 1 1 26 VAL HG23 H 9.356 -2.769 -0.943 1.00 . A A . 26 VAL HG23 1 1 7 3554 1 1 26 VAL N N 8.746 -0.040 0.730 1.00 . A A . 26 VAL N 1 1 7 3555 1 1 26 VAL O O 12.077 0.859 0.535 1.00 . A A . 26 VAL O 1 1 7 3556 1 1 27 LEU C C 11.502 3.817 0.960 1.00 . A A . 27 LEU C 1 1 7 3557 1 1 27 LEU CA C 11.041 3.274 -0.411 1.00 . A A . 27 LEU CA 1 1 7 3558 1 1 27 LEU CB C 10.197 4.285 -1.230 1.00 . A A . 27 LEU CB 1 1 7 3559 1 1 27 LEU CD1 C 7.902 5.226 -1.536 1.00 . A A . 27 LEU CD1 1 1 7 3560 1 1 27 LEU CD2 C 8.518 4.233 0.641 1.00 . A A . 27 LEU CD2 1 1 7 3561 1 1 27 LEU CG C 9.028 5.004 -0.542 1.00 . A A . 27 LEU CG 1 1 7 3562 1 1 27 LEU H H 9.391 1.966 -0.557 1.00 . A A . 27 LEU H 1 1 7 3563 1 1 27 LEU HA H 11.920 3.051 -0.980 1.00 . A A . 27 LEU HA 1 1 7 3564 1 1 27 LEU HB2 H 10.865 5.040 -1.613 1.00 . A A . 27 LEU HB2 1 1 7 3565 1 1 27 LEU HB3 H 9.784 3.745 -2.073 1.00 . A A . 27 LEU HB3 1 1 7 3566 1 1 27 LEU HD11 H 7.590 4.270 -1.937 1.00 . A A . 27 LEU HD11 1 1 7 3567 1 1 27 LEU HD12 H 8.245 5.859 -2.338 1.00 . A A . 27 LEU HD12 1 1 7 3568 1 1 27 LEU HD13 H 7.066 5.693 -1.038 1.00 . A A . 27 LEU HD13 1 1 7 3569 1 1 27 LEU HD21 H 7.618 4.691 1.019 1.00 . A A . 27 LEU HD21 1 1 7 3570 1 1 27 LEU HD22 H 9.273 4.231 1.411 1.00 . A A . 27 LEU HD22 1 1 7 3571 1 1 27 LEU HD23 H 8.311 3.212 0.346 1.00 . A A . 27 LEU HD23 1 1 7 3572 1 1 27 LEU HG H 9.362 5.973 -0.197 1.00 . A A . 27 LEU HG 1 1 7 3573 1 1 27 LEU N N 10.329 2.013 -0.286 1.00 . A A . 27 LEU N 1 1 7 3574 1 1 27 LEU O O 12.354 4.701 1.032 1.00 . A A . 27 LEU O 1 1 7 3575 1 1 28 LEU C C 12.248 2.502 3.919 1.00 . A A . 28 LEU C 1 1 7 3576 1 1 28 LEU CA C 11.371 3.625 3.396 1.00 . A A . 28 LEU CA 1 1 7 3577 1 1 28 LEU CB C 10.195 3.814 4.363 1.00 . A A . 28 LEU CB 1 1 7 3578 1 1 28 LEU CD1 C 8.090 4.986 5.040 1.00 . A A . 28 LEU CD1 1 1 7 3579 1 1 28 LEU CD2 C 9.790 6.186 3.651 1.00 . A A . 28 LEU CD2 1 1 7 3580 1 1 28 LEU CG C 9.145 4.841 3.953 1.00 . A A . 28 LEU CG 1 1 7 3581 1 1 28 LEU H H 10.160 2.675 1.931 1.00 . A A . 28 LEU H 1 1 7 3582 1 1 28 LEU HA H 11.949 4.535 3.348 1.00 . A A . 28 LEU HA 1 1 7 3583 1 1 28 LEU HB2 H 9.701 2.861 4.479 1.00 . A A . 28 LEU HB2 1 1 7 3584 1 1 28 LEU HB3 H 10.594 4.107 5.322 1.00 . A A . 28 LEU HB3 1 1 7 3585 1 1 28 LEU HD11 H 7.342 5.697 4.723 1.00 . A A . 28 LEU HD11 1 1 7 3586 1 1 28 LEU HD12 H 8.557 5.334 5.949 1.00 . A A . 28 LEU HD12 1 1 7 3587 1 1 28 LEU HD13 H 7.624 4.027 5.218 1.00 . A A . 28 LEU HD13 1 1 7 3588 1 1 28 LEU HD21 H 9.025 6.897 3.375 1.00 . A A . 28 LEU HD21 1 1 7 3589 1 1 28 LEU HD22 H 10.490 6.075 2.836 1.00 . A A . 28 LEU HD22 1 1 7 3590 1 1 28 LEU HD23 H 10.311 6.541 4.528 1.00 . A A . 28 LEU HD23 1 1 7 3591 1 1 28 LEU HG H 8.653 4.495 3.059 1.00 . A A . 28 LEU HG 1 1 7 3592 1 1 28 LEU N N 10.915 3.294 2.045 1.00 . A A . 28 LEU N 1 1 7 3593 1 1 28 LEU O O 13.084 2.696 4.803 1.00 . A A . 28 LEU O 1 1 7 3594 1 1 29 LYS C C 12.365 -0.298 5.143 1.00 . A A . 29 LYS C 1 1 7 3595 1 1 29 LYS CA C 12.711 0.093 3.712 1.00 . A A . 29 LYS CA 1 1 7 3596 1 1 29 LYS CB C 14.226 0.257 3.534 1.00 . A A . 29 LYS CB 1 1 7 3597 1 1 29 LYS CD C 14.570 -1.657 1.911 1.00 . A A . 29 LYS CD 1 1 7 3598 1 1 29 LYS CE C 15.289 -1.003 0.731 1.00 . A A . 29 LYS CE 1 1 7 3599 1 1 29 LYS CG C 14.960 -1.048 3.257 1.00 . A A . 29 LYS CG 1 1 7 3600 1 1 29 LYS H H 11.324 1.275 2.655 1.00 . A A . 29 LYS H 1 1 7 3601 1 1 29 LYS HA H 12.362 -0.686 3.050 1.00 . A A . 29 LYS HA 1 1 7 3602 1 1 29 LYS HB2 H 14.406 0.928 2.710 1.00 . A A . 29 LYS HB2 1 1 7 3603 1 1 29 LYS HB3 H 14.636 0.691 4.434 1.00 . A A . 29 LYS HB3 1 1 7 3604 1 1 29 LYS HD2 H 14.818 -2.708 1.923 1.00 . A A . 29 LYS HD2 1 1 7 3605 1 1 29 LYS HD3 H 13.506 -1.544 1.773 1.00 . A A . 29 LYS HD3 1 1 7 3606 1 1 29 LYS HE2 H 16.353 -1.061 0.902 1.00 . A A . 29 LYS HE2 1 1 7 3607 1 1 29 LYS HE3 H 15.047 -1.552 -0.168 1.00 . A A . 29 LYS HE3 1 1 7 3608 1 1 29 LYS HG2 H 16.022 -0.856 3.256 1.00 . A A . 29 LYS HG2 1 1 7 3609 1 1 29 LYS HG3 H 14.722 -1.752 4.040 1.00 . A A . 29 LYS HG3 1 1 7 3610 1 1 29 LYS HZ1 H 13.881 0.529 0.500 1.00 . A A . 29 LYS HZ1 1 1 7 3611 1 1 29 LYS HZ2 H 15.317 0.781 -0.356 1.00 . A A . 29 LYS HZ2 1 1 7 3612 1 1 29 LYS HZ3 H 15.289 1.004 1.316 1.00 . A A . 29 LYS HZ3 1 1 7 3613 1 1 29 LYS N N 12.012 1.322 3.351 1.00 . A A . 29 LYS N 1 1 7 3614 1 1 29 LYS NZ N 14.917 0.426 0.537 1.00 . A A . 29 LYS NZ 1 1 7 3615 1 1 29 LYS O O 13.154 -0.932 5.843 1.00 . A A . 29 LYS O 1 1 7 3616 1 1 30 ARG C C 9.336 -0.739 6.980 1.00 . A A . 30 ARG C 1 1 7 3617 1 1 30 ARG CA C 10.729 -0.123 6.935 1.00 . A A . 30 ARG CA 1 1 7 3618 1 1 30 ARG CB C 10.736 1.223 7.660 1.00 . A A . 30 ARG CB 1 1 7 3619 1 1 30 ARG CD C 10.281 2.546 9.724 1.00 . A A . 30 ARG CD 1 1 7 3620 1 1 30 ARG CG C 10.322 1.156 9.118 1.00 . A A . 30 ARG CG 1 1 7 3621 1 1 30 ARG CZ C 9.661 3.639 11.839 1.00 . A A . 30 ARG CZ 1 1 7 3622 1 1 30 ARG H H 10.533 0.472 4.915 1.00 . A A . 30 ARG H 1 1 7 3623 1 1 30 ARG HA H 11.429 -0.790 7.416 1.00 . A A . 30 ARG HA 1 1 7 3624 1 1 30 ARG HB2 H 11.733 1.633 7.612 1.00 . A A . 30 ARG HB2 1 1 7 3625 1 1 30 ARG HB3 H 10.060 1.892 7.147 1.00 . A A . 30 ARG HB3 1 1 7 3626 1 1 30 ARG HD2 H 11.268 2.981 9.661 1.00 . A A . 30 ARG HD2 1 1 7 3627 1 1 30 ARG HD3 H 9.589 3.150 9.154 1.00 . A A . 30 ARG HD3 1 1 7 3628 1 1 30 ARG HE H 9.716 1.658 11.543 1.00 . A A . 30 ARG HE 1 1 7 3629 1 1 30 ARG HG2 H 9.342 0.711 9.188 1.00 . A A . 30 ARG HG2 1 1 7 3630 1 1 30 ARG HG3 H 11.036 0.556 9.662 1.00 . A A . 30 ARG HG3 1 1 7 3631 1 1 30 ARG HH11 H 10.120 4.909 10.325 1.00 . A A . 30 ARG HH11 1 1 7 3632 1 1 30 ARG HH12 H 9.691 5.667 11.824 1.00 . A A . 30 ARG HH12 1 1 7 3633 1 1 30 ARG HH21 H 9.144 2.655 13.535 1.00 . A A . 30 ARG HH21 1 1 7 3634 1 1 30 ARG HH22 H 9.137 4.385 13.648 1.00 . A A . 30 ARG HH22 1 1 7 3635 1 1 30 ARG N N 11.160 0.068 5.558 1.00 . A A . 30 ARG N 1 1 7 3636 1 1 30 ARG NE N 9.858 2.535 11.120 1.00 . A A . 30 ARG NE 1 1 7 3637 1 1 30 ARG NH1 N 9.837 4.834 11.284 1.00 . A A . 30 ARG NH1 1 1 7 3638 1 1 30 ARG NH2 N 9.283 3.551 13.108 1.00 . A A . 30 ARG NH2 1 1 7 3639 1 1 30 ARG O O 8.353 0.004 6.792 1.00 . A A . 30 ARG O 1 1 7 3640 1 1 30 ARG OXT O 9.233 -1.966 7.202 1.00 . A A . 30 ARG OXT 1 1 8 3641 1 1 1 MET C C -24.012 3.858 14.710 1.00 . A A . 1 MET C 1 1 8 3642 1 1 1 MET CA C -23.762 2.360 14.770 1.00 . A A . 1 MET CA 1 1 8 3643 1 1 1 MET CB C -25.043 1.602 14.406 1.00 . A A . 1 MET CB 1 1 8 3644 1 1 1 MET CE C -27.391 1.612 10.950 1.00 . A A . 1 MET CE 1 1 8 3645 1 1 1 MET CG C -25.567 1.920 13.012 1.00 . A A . 1 MET CG 1 1 8 3646 1 1 1 MET H1 H -23.158 0.943 16.171 1.00 . A A . 1 MET H1 1 1 8 3647 1 1 1 MET H2 H -23.993 2.257 16.836 1.00 . A A . 1 MET H2 1 1 8 3648 1 1 1 MET H3 H -22.390 2.439 16.328 1.00 . A A . 1 MET H3 1 1 8 3649 1 1 1 MET HA H -22.988 2.109 14.057 1.00 . A A . 1 MET HA 1 1 8 3650 1 1 1 MET HB2 H -24.846 0.541 14.460 1.00 . A A . 1 MET HB2 1 1 8 3651 1 1 1 MET HB3 H -25.811 1.853 15.121 1.00 . A A . 1 MET HB3 1 1 8 3652 1 1 1 MET HE1 H -28.288 1.148 10.565 1.00 . A A . 1 MET HE1 1 1 8 3653 1 1 1 MET HE2 H -26.552 1.351 10.322 1.00 . A A . 1 MET HE2 1 1 8 3654 1 1 1 MET HE3 H -27.516 2.685 10.955 1.00 . A A . 1 MET HE3 1 1 8 3655 1 1 1 MET HG2 H -25.756 2.980 12.948 1.00 . A A . 1 MET HG2 1 1 8 3656 1 1 1 MET HG3 H -24.814 1.647 12.289 1.00 . A A . 1 MET HG3 1 1 8 3657 1 1 1 MET N N -23.296 1.972 16.119 1.00 . A A . 1 MET N 1 1 8 3658 1 1 1 MET O O -24.817 4.397 15.472 1.00 . A A . 1 MET O 1 1 8 3659 1 1 1 MET SD S -27.091 1.038 12.620 1.00 . A A . 1 MET SD 1 1 8 3660 1 1 2 ALA C C -23.802 6.281 12.180 1.00 . A A . 2 ALA C 1 1 8 3661 1 1 2 ALA CA C -23.468 5.966 13.633 1.00 . A A . 2 ALA CA 1 1 8 3662 1 1 2 ALA CB C -22.206 6.696 14.068 1.00 . A A . 2 ALA CB 1 1 8 3663 1 1 2 ALA H H -22.666 4.049 13.247 1.00 . A A . 2 ALA H 1 1 8 3664 1 1 2 ALA HA H -24.285 6.294 14.259 1.00 . A A . 2 ALA HA 1 1 8 3665 1 1 2 ALA HB1 H -22.356 7.760 13.976 1.00 . A A . 2 ALA HB1 1 1 8 3666 1 1 2 ALA HB2 H -21.381 6.393 13.442 1.00 . A A . 2 ALA HB2 1 1 8 3667 1 1 2 ALA HB3 H -21.986 6.449 15.096 1.00 . A A . 2 ALA HB3 1 1 8 3668 1 1 2 ALA N N -23.312 4.532 13.811 1.00 . A A . 2 ALA N 1 1 8 3669 1 1 2 ALA O O -23.167 7.130 11.553 1.00 . A A . 2 ALA O 1 1 8 3670 1 1 3 THR C C -24.194 5.180 9.315 1.00 . A A . 3 THR C 1 1 8 3671 1 1 3 THR CA C -25.246 5.720 10.278 1.00 . A A . 3 THR CA 1 1 8 3672 1 1 3 THR CB C -25.561 7.182 9.920 1.00 . A A . 3 THR CB 1 1 8 3673 1 1 3 THR CG2 C -26.263 7.273 8.573 1.00 . A A . 3 THR CG2 1 1 8 3674 1 1 3 THR H H -25.288 4.950 12.243 1.00 . A A . 3 THR H 1 1 8 3675 1 1 3 THR HA H -26.152 5.143 10.160 1.00 . A A . 3 THR HA 1 1 8 3676 1 1 3 THR HB H -24.632 7.725 9.862 1.00 . A A . 3 THR HB 1 1 8 3677 1 1 3 THR HG1 H -26.545 7.112 11.632 1.00 . A A . 3 THR HG1 1 1 8 3678 1 1 3 THR HG21 H -26.456 8.309 8.337 1.00 . A A . 3 THR HG21 1 1 8 3679 1 1 3 THR HG22 H -27.199 6.736 8.618 1.00 . A A . 3 THR HG22 1 1 8 3680 1 1 3 THR HG23 H -25.634 6.839 7.809 1.00 . A A . 3 THR HG23 1 1 8 3681 1 1 3 THR N N -24.811 5.581 11.663 1.00 . A A . 3 THR N 1 1 8 3682 1 1 3 THR O O -23.102 5.730 9.185 1.00 . A A . 3 THR O 1 1 8 3683 1 1 3 THR OG1 O -26.393 7.764 10.934 1.00 . A A . 3 THR OG1 1 1 8 3684 1 1 4 LYS C C -23.974 3.905 6.293 1.00 . A A . 4 LYS C 1 1 8 3685 1 1 4 LYS CA C -23.621 3.476 7.705 1.00 . A A . 4 LYS CA 1 1 8 3686 1 1 4 LYS CB C -23.659 1.952 7.847 1.00 . A A . 4 LYS CB 1 1 8 3687 1 1 4 LYS CD C -22.590 -0.271 7.273 1.00 . A A . 4 LYS CD 1 1 8 3688 1 1 4 LYS CE C -23.755 -0.997 6.607 1.00 . A A . 4 LYS CE 1 1 8 3689 1 1 4 LYS CG C -22.606 1.233 7.018 1.00 . A A . 4 LYS CG 1 1 8 3690 1 1 4 LYS H H -25.429 3.725 8.766 1.00 . A A . 4 LYS H 1 1 8 3691 1 1 4 LYS HA H -22.627 3.833 7.924 1.00 . A A . 4 LYS HA 1 1 8 3692 1 1 4 LYS HB2 H -23.507 1.695 8.885 1.00 . A A . 4 LYS HB2 1 1 8 3693 1 1 4 LYS HB3 H -24.632 1.601 7.538 1.00 . A A . 4 LYS HB3 1 1 8 3694 1 1 4 LYS HD2 H -21.666 -0.676 6.890 1.00 . A A . 4 LYS HD2 1 1 8 3695 1 1 4 LYS HD3 H -22.636 -0.439 8.340 1.00 . A A . 4 LYS HD3 1 1 8 3696 1 1 4 LYS HE2 H -23.846 -0.639 5.594 1.00 . A A . 4 LYS HE2 1 1 8 3697 1 1 4 LYS HE3 H -23.536 -2.056 6.592 1.00 . A A . 4 LYS HE3 1 1 8 3698 1 1 4 LYS HG2 H -22.809 1.403 5.972 1.00 . A A . 4 LYS HG2 1 1 8 3699 1 1 4 LYS HG3 H -21.636 1.639 7.265 1.00 . A A . 4 LYS HG3 1 1 8 3700 1 1 4 LYS HZ1 H -25.376 0.193 7.179 1.00 . A A . 4 LYS HZ1 1 1 8 3701 1 1 4 LYS HZ2 H -24.944 -0.968 8.326 1.00 . A A . 4 LYS HZ2 1 1 8 3702 1 1 4 LYS HZ3 H -25.772 -1.429 6.929 1.00 . A A . 4 LYS HZ3 1 1 8 3703 1 1 4 LYS N N -24.532 4.099 8.644 1.00 . A A . 4 LYS N 1 1 8 3704 1 1 4 LYS NZ N -25.052 -0.783 7.308 1.00 . A A . 4 LYS NZ 1 1 8 3705 1 1 4 LYS O O -24.778 3.270 5.611 1.00 . A A . 4 LYS O 1 1 8 3706 1 1 5 HIS C C -22.381 5.998 3.878 1.00 . A A . 5 HIS C 1 1 8 3707 1 1 5 HIS CA C -23.668 5.609 4.599 1.00 . A A . 5 HIS CA 1 1 8 3708 1 1 5 HIS CB C -24.560 6.828 4.838 1.00 . A A . 5 HIS CB 1 1 8 3709 1 1 5 HIS CD2 C -24.391 8.812 3.171 1.00 . A A . 5 HIS CD2 1 1 8 3710 1 1 5 HIS CE1 C -25.854 8.116 1.698 1.00 . A A . 5 HIS CE1 1 1 8 3711 1 1 5 HIS CG C -24.873 7.624 3.605 1.00 . A A . 5 HIS CG 1 1 8 3712 1 1 5 HIS H H -22.676 5.410 6.447 1.00 . A A . 5 HIS H 1 1 8 3713 1 1 5 HIS HA H -24.202 4.889 4.001 1.00 . A A . 5 HIS HA 1 1 8 3714 1 1 5 HIS HB2 H -25.498 6.496 5.259 1.00 . A A . 5 HIS HB2 1 1 8 3715 1 1 5 HIS HB3 H -24.069 7.477 5.549 1.00 . A A . 5 HIS HB3 1 1 8 3716 1 1 5 HIS HD1 H -26.307 6.381 2.687 1.00 . A A . 5 HIS HD1 1 1 8 3717 1 1 5 HIS HD2 H -23.650 9.423 3.667 1.00 . A A . 5 HIS HD2 1 1 8 3718 1 1 5 HIS HE1 H -26.487 8.062 0.825 1.00 . A A . 5 HIS HE1 1 1 8 3719 1 1 5 HIS HE2 H -24.963 9.951 1.502 1.00 . A A . 5 HIS HE2 1 1 8 3720 1 1 5 HIS N N -23.363 4.996 5.875 1.00 . A A . 5 HIS N 1 1 8 3721 1 1 5 HIS ND1 N -25.786 7.215 2.659 1.00 . A A . 5 HIS ND1 1 1 8 3722 1 1 5 HIS NE2 N -25.018 9.096 1.985 1.00 . A A . 5 HIS NE2 1 1 8 3723 1 1 5 HIS O O -21.820 7.070 4.111 1.00 . A A . 5 HIS O 1 1 8 3724 1 1 6 GLY C C -19.534 4.585 2.961 1.00 . A A . 6 GLY C 1 1 8 3725 1 1 6 GLY CA C -20.669 5.349 2.318 1.00 . A A . 6 GLY CA 1 1 8 3726 1 1 6 GLY H H -22.438 4.306 2.822 1.00 . A A . 6 GLY H 1 1 8 3727 1 1 6 GLY HA2 H -20.769 5.035 1.290 1.00 . A A . 6 GLY HA2 1 1 8 3728 1 1 6 GLY HA3 H -20.441 6.403 2.344 1.00 . A A . 6 GLY HA3 1 1 8 3729 1 1 6 GLY N N -21.921 5.120 3.005 1.00 . A A . 6 GLY N 1 1 8 3730 1 1 6 GLY O O -18.364 4.947 2.819 1.00 . A A . 6 GLY O 1 1 8 3731 1 1 7 LYS C C -18.991 1.271 3.775 1.00 . A A . 7 LYS C 1 1 8 3732 1 1 7 LYS CA C -18.909 2.686 4.345 1.00 . A A . 7 LYS CA 1 1 8 3733 1 1 7 LYS CB C -19.164 2.681 5.856 1.00 . A A . 7 LYS CB 1 1 8 3734 1 1 7 LYS CD C -16.749 2.598 6.564 1.00 . A A . 7 LYS CD 1 1 8 3735 1 1 7 LYS CE C -15.723 1.882 7.429 1.00 . A A . 7 LYS CE 1 1 8 3736 1 1 7 LYS CG C -18.115 1.937 6.666 1.00 . A A . 7 LYS CG 1 1 8 3737 1 1 7 LYS H H -20.837 3.314 3.782 1.00 . A A . 7 LYS H 1 1 8 3738 1 1 7 LYS HA H -17.928 3.090 4.150 1.00 . A A . 7 LYS HA 1 1 8 3739 1 1 7 LYS HB2 H -19.193 3.703 6.206 1.00 . A A . 7 LYS HB2 1 1 8 3740 1 1 7 LYS HB3 H -20.122 2.221 6.044 1.00 . A A . 7 LYS HB3 1 1 8 3741 1 1 7 LYS HD2 H -16.420 2.568 5.536 1.00 . A A . 7 LYS HD2 1 1 8 3742 1 1 7 LYS HD3 H -16.830 3.624 6.891 1.00 . A A . 7 LYS HD3 1 1 8 3743 1 1 7 LYS HE2 H -16.066 1.891 8.453 1.00 . A A . 7 LYS HE2 1 1 8 3744 1 1 7 LYS HE3 H -15.634 0.860 7.090 1.00 . A A . 7 LYS HE3 1 1 8 3745 1 1 7 LYS HG2 H -18.423 1.927 7.700 1.00 . A A . 7 LYS HG2 1 1 8 3746 1 1 7 LYS HG3 H -18.044 0.923 6.301 1.00 . A A . 7 LYS HG3 1 1 8 3747 1 1 7 LYS HZ1 H -13.999 2.471 6.402 1.00 . A A . 7 LYS HZ1 1 1 8 3748 1 1 7 LYS HZ2 H -13.727 2.054 8.016 1.00 . A A . 7 LYS HZ2 1 1 8 3749 1 1 7 LYS HZ3 H -14.457 3.530 7.637 1.00 . A A . 7 LYS HZ3 1 1 8 3750 1 1 7 LYS N N -19.887 3.530 3.685 1.00 . A A . 7 LYS N 1 1 8 3751 1 1 7 LYS NZ N -14.383 2.529 7.366 1.00 . A A . 7 LYS NZ 1 1 8 3752 1 1 7 LYS O O -19.477 0.345 4.428 1.00 . A A . 7 LYS O 1 1 8 3753 1 1 8 ASN C C -17.577 -0.225 0.704 1.00 . A A . 8 ASN C 1 1 8 3754 1 1 8 ASN CA C -18.581 -0.166 1.853 1.00 . A A . 8 ASN CA 1 1 8 3755 1 1 8 ASN CB C -20.006 -0.454 1.342 1.00 . A A . 8 ASN CB 1 1 8 3756 1 1 8 ASN CG C -20.678 0.743 0.679 1.00 . A A . 8 ASN CG 1 1 8 3757 1 1 8 ASN H H -18.131 1.892 2.089 1.00 . A A . 8 ASN H 1 1 8 3758 1 1 8 ASN HA H -18.315 -0.927 2.573 1.00 . A A . 8 ASN HA 1 1 8 3759 1 1 8 ASN HB2 H -19.962 -1.253 0.619 1.00 . A A . 8 ASN HB2 1 1 8 3760 1 1 8 ASN HB3 H -20.617 -0.769 2.176 1.00 . A A . 8 ASN HB3 1 1 8 3761 1 1 8 ASN HD21 H -22.464 1.539 0.325 1.00 . A A . 8 ASN HD21 1 1 8 3762 1 1 8 ASN HD22 H -22.466 0.049 1.198 1.00 . A A . 8 ASN HD22 1 1 8 3763 1 1 8 ASN N N -18.527 1.118 2.546 1.00 . A A . 8 ASN N 1 1 8 3764 1 1 8 ASN ND2 N -22.001 0.781 0.739 1.00 . A A . 8 ASN ND2 1 1 8 3765 1 1 8 ASN O O -16.898 -1.236 0.511 1.00 . A A . 8 ASN O 1 1 8 3766 1 1 8 ASN OD1 O -20.025 1.625 0.121 1.00 . A A . 8 ASN OD1 1 1 8 3767 1 1 9 SER C C -15.111 1.125 -0.732 1.00 . A A . 9 SER C 1 1 8 3768 1 1 9 SER CA C -16.551 0.929 -1.177 1.00 . A A . 9 SER CA 1 1 8 3769 1 1 9 SER CB C -16.986 2.051 -2.119 1.00 . A A . 9 SER CB 1 1 8 3770 1 1 9 SER H H -18.022 1.645 0.156 1.00 . A A . 9 SER H 1 1 8 3771 1 1 9 SER HA H -16.609 -0.006 -1.700 1.00 . A A . 9 SER HA 1 1 8 3772 1 1 9 SER HB2 H -16.181 2.277 -2.804 1.00 . A A . 9 SER HB2 1 1 8 3773 1 1 9 SER HB3 H -17.855 1.735 -2.676 1.00 . A A . 9 SER HB3 1 1 8 3774 1 1 9 SER HG H -16.629 3.895 -1.532 1.00 . A A . 9 SER HG 1 1 8 3775 1 1 9 SER N N -17.460 0.864 -0.043 1.00 . A A . 9 SER N 1 1 8 3776 1 1 9 SER O O -14.193 1.116 -1.553 1.00 . A A . 9 SER O 1 1 8 3777 1 1 9 SER OG O -17.313 3.227 -1.391 1.00 . A A . 9 SER OG 1 1 8 3778 1 1 10 TRP C C -12.708 0.239 0.862 1.00 . A A . 10 TRP C 1 1 8 3779 1 1 10 TRP CA C -13.569 1.463 1.093 1.00 . A A . 10 TRP CA 1 1 8 3780 1 1 10 TRP CB C -13.567 1.750 2.583 1.00 . A A . 10 TRP CB 1 1 8 3781 1 1 10 TRP CD1 C -15.528 0.567 3.712 1.00 . A A . 10 TRP CD1 1 1 8 3782 1 1 10 TRP CD2 C -13.537 -0.367 3.959 1.00 . A A . 10 TRP CD2 1 1 8 3783 1 1 10 TRP CE2 C -14.458 -1.137 4.670 1.00 . A A . 10 TRP CE2 1 1 8 3784 1 1 10 TRP CE3 C -12.213 -0.728 3.929 1.00 . A A . 10 TRP CE3 1 1 8 3785 1 1 10 TRP CG C -14.219 0.703 3.387 1.00 . A A . 10 TRP CG 1 1 8 3786 1 1 10 TRP CH2 C -12.741 -2.603 5.321 1.00 . A A . 10 TRP CH2 1 1 8 3787 1 1 10 TRP CZ2 C -14.068 -2.270 5.364 1.00 . A A . 10 TRP CZ2 1 1 8 3788 1 1 10 TRP CZ3 C -11.825 -1.834 4.599 1.00 . A A . 10 TRP CZ3 1 1 8 3789 1 1 10 TRP H H -15.674 1.285 1.177 1.00 . A A . 10 TRP H 1 1 8 3790 1 1 10 TRP HA H -13.128 2.301 0.576 1.00 . A A . 10 TRP HA 1 1 8 3791 1 1 10 TRP HB2 H -12.544 1.807 2.915 1.00 . A A . 10 TRP HB2 1 1 8 3792 1 1 10 TRP HB3 H -14.030 2.666 2.792 1.00 . A A . 10 TRP HB3 1 1 8 3793 1 1 10 TRP HD1 H -16.307 1.243 3.390 1.00 . A A . 10 TRP HD1 1 1 8 3794 1 1 10 TRP HE1 H -16.536 -0.863 4.893 1.00 . A A . 10 TRP HE1 1 1 8 3795 1 1 10 TRP HE3 H -11.495 -0.160 3.353 1.00 . A A . 10 TRP HE3 1 1 8 3796 1 1 10 TRP HH2 H -12.387 -3.473 5.832 1.00 . A A . 10 TRP HH2 1 1 8 3797 1 1 10 TRP HZ2 H -14.763 -2.865 5.918 1.00 . A A . 10 TRP HZ2 1 1 8 3798 1 1 10 TRP HZ3 H -10.797 -2.105 4.581 1.00 . A A . 10 TRP HZ3 1 1 8 3799 1 1 10 TRP N N -14.906 1.278 0.566 1.00 . A A . 10 TRP N 1 1 8 3800 1 1 10 TRP NE1 N -15.688 -0.545 4.508 1.00 . A A . 10 TRP NE1 1 1 8 3801 1 1 10 TRP O O -11.521 0.354 0.718 1.00 . A A . 10 TRP O 1 1 8 3802 1 1 11 LYS C C -11.751 -2.143 -0.614 1.00 . A A . 11 LYS C 1 1 8 3803 1 1 11 LYS CA C -12.506 -2.156 0.706 1.00 . A A . 11 LYS CA 1 1 8 3804 1 1 11 LYS CB C -13.412 -3.361 0.763 1.00 . A A . 11 LYS CB 1 1 8 3805 1 1 11 LYS CD C -14.896 -4.823 2.175 1.00 . A A . 11 LYS CD 1 1 8 3806 1 1 11 LYS CE C -16.216 -4.231 1.708 1.00 . A A . 11 LYS CE 1 1 8 3807 1 1 11 LYS CG C -13.788 -3.785 2.172 1.00 . A A . 11 LYS CG 1 1 8 3808 1 1 11 LYS H H -14.266 -0.997 0.958 1.00 . A A . 11 LYS H 1 1 8 3809 1 1 11 LYS HA H -11.791 -2.204 1.520 1.00 . A A . 11 LYS HA 1 1 8 3810 1 1 11 LYS HB2 H -14.318 -3.141 0.221 1.00 . A A . 11 LYS HB2 1 1 8 3811 1 1 11 LYS HB3 H -12.905 -4.164 0.284 1.00 . A A . 11 LYS HB3 1 1 8 3812 1 1 11 LYS HD2 H -14.623 -5.631 1.513 1.00 . A A . 11 LYS HD2 1 1 8 3813 1 1 11 LYS HD3 H -15.018 -5.202 3.178 1.00 . A A . 11 LYS HD3 1 1 8 3814 1 1 11 LYS HE2 H -16.474 -3.412 2.363 1.00 . A A . 11 LYS HE2 1 1 8 3815 1 1 11 LYS HE3 H -16.094 -3.858 0.702 1.00 . A A . 11 LYS HE3 1 1 8 3816 1 1 11 LYS HG2 H -12.918 -4.205 2.654 1.00 . A A . 11 LYS HG2 1 1 8 3817 1 1 11 LYS HG3 H -14.119 -2.916 2.722 1.00 . A A . 11 LYS HG3 1 1 8 3818 1 1 11 LYS HZ1 H -18.186 -4.812 1.337 1.00 . A A . 11 LYS HZ1 1 1 8 3819 1 1 11 LYS HZ2 H -17.501 -5.545 2.697 1.00 . A A . 11 LYS HZ2 1 1 8 3820 1 1 11 LYS HZ3 H -17.060 -6.058 1.144 1.00 . A A . 11 LYS HZ3 1 1 8 3821 1 1 11 LYS N N -13.294 -0.939 0.858 1.00 . A A . 11 LYS N 1 1 8 3822 1 1 11 LYS NZ N -17.316 -5.232 1.723 1.00 . A A . 11 LYS NZ 1 1 8 3823 1 1 11 LYS O O -10.631 -2.637 -0.732 1.00 . A A . 11 LYS O 1 1 8 3824 1 1 12 THR C C -10.686 -0.277 -2.807 1.00 . A A . 12 THR C 1 1 8 3825 1 1 12 THR CA C -11.806 -1.326 -2.892 1.00 . A A . 12 THR CA 1 1 8 3826 1 1 12 THR CB C -12.948 -0.898 -3.825 1.00 . A A . 12 THR CB 1 1 8 3827 1 1 12 THR CG2 C -12.514 0.081 -4.900 1.00 . A A . 12 THR CG2 1 1 8 3828 1 1 12 THR H H -13.298 -1.225 -1.425 1.00 . A A . 12 THR H 1 1 8 3829 1 1 12 THR HA H -11.398 -2.261 -3.248 1.00 . A A . 12 THR HA 1 1 8 3830 1 1 12 THR HB H -13.692 -0.421 -3.201 1.00 . A A . 12 THR HB 1 1 8 3831 1 1 12 THR HG1 H -13.236 -2.847 -3.967 1.00 . A A . 12 THR HG1 1 1 8 3832 1 1 12 THR HG21 H -13.379 0.387 -5.468 1.00 . A A . 12 THR HG21 1 1 8 3833 1 1 12 THR HG22 H -11.797 -0.391 -5.552 1.00 . A A . 12 THR HG22 1 1 8 3834 1 1 12 THR HG23 H -12.067 0.946 -4.434 1.00 . A A . 12 THR HG23 1 1 8 3835 1 1 12 THR N N -12.386 -1.545 -1.592 1.00 . A A . 12 THR N 1 1 8 3836 1 1 12 THR O O -9.678 -0.353 -3.515 1.00 . A A . 12 THR O 1 1 8 3837 1 1 12 THR OG1 O -13.546 -2.055 -4.423 1.00 . A A . 12 THR OG1 1 1 8 3838 1 1 13 LEU C C -8.744 0.989 -0.739 1.00 . A A . 13 LEU C 1 1 8 3839 1 1 13 LEU CA C -9.834 1.659 -1.560 1.00 . A A . 13 LEU CA 1 1 8 3840 1 1 13 LEU CB C -10.471 2.785 -0.726 1.00 . A A . 13 LEU CB 1 1 8 3841 1 1 13 LEU CD1 C -9.387 4.638 0.586 1.00 . A A . 13 LEU CD1 1 1 8 3842 1 1 13 LEU CD2 C -10.542 2.790 1.813 1.00 . A A . 13 LEU CD2 1 1 8 3843 1 1 13 LEU CG C -9.727 3.158 0.571 1.00 . A A . 13 LEU CG 1 1 8 3844 1 1 13 LEU H H -11.734 0.738 -1.453 1.00 . A A . 13 LEU H 1 1 8 3845 1 1 13 LEU HA H -9.412 2.065 -2.468 1.00 . A A . 13 LEU HA 1 1 8 3846 1 1 13 LEU HB2 H -10.541 3.667 -1.341 1.00 . A A . 13 LEU HB2 1 1 8 3847 1 1 13 LEU HB3 H -11.469 2.471 -0.456 1.00 . A A . 13 LEU HB3 1 1 8 3848 1 1 13 LEU HD11 H -8.860 4.875 1.497 1.00 . A A . 13 LEU HD11 1 1 8 3849 1 1 13 LEU HD12 H -10.298 5.216 0.534 1.00 . A A . 13 LEU HD12 1 1 8 3850 1 1 13 LEU HD13 H -8.762 4.871 -0.264 1.00 . A A . 13 LEU HD13 1 1 8 3851 1 1 13 LEU HD21 H -10.723 1.715 1.831 1.00 . A A . 13 LEU HD21 1 1 8 3852 1 1 13 LEU HD22 H -11.491 3.305 1.795 1.00 . A A . 13 LEU HD22 1 1 8 3853 1 1 13 LEU HD23 H -9.999 3.071 2.702 1.00 . A A . 13 LEU HD23 1 1 8 3854 1 1 13 LEU HG H -8.805 2.604 0.609 1.00 . A A . 13 LEU HG 1 1 8 3855 1 1 13 LEU N N -10.868 0.683 -1.909 1.00 . A A . 13 LEU N 1 1 8 3856 1 1 13 LEU O O -7.573 1.365 -0.778 1.00 . A A . 13 LEU O 1 1 8 3857 1 1 14 TYR C C -7.214 -1.414 0.490 1.00 . A A . 14 TYR C 1 1 8 3858 1 1 14 TYR CA C -8.364 -0.600 1.038 1.00 . A A . 14 TYR CA 1 1 8 3859 1 1 14 TYR CB C -9.245 -1.474 1.915 1.00 . A A . 14 TYR CB 1 1 8 3860 1 1 14 TYR CD1 C -8.528 -1.258 4.291 1.00 . A A . 14 TYR CD1 1 1 8 3861 1 1 14 TYR CD2 C -7.748 -3.120 3.030 1.00 . A A . 14 TYR CD2 1 1 8 3862 1 1 14 TYR CE1 C -7.793 -1.688 5.378 1.00 . A A . 14 TYR CE1 1 1 8 3863 1 1 14 TYR CE2 C -7.022 -3.565 4.096 1.00 . A A . 14 TYR CE2 1 1 8 3864 1 1 14 TYR CG C -8.510 -1.970 3.111 1.00 . A A . 14 TYR CG 1 1 8 3865 1 1 14 TYR CZ C -7.040 -2.846 5.278 1.00 . A A . 14 TYR CZ 1 1 8 3866 1 1 14 TYR H H -10.059 -0.369 -0.165 1.00 . A A . 14 TYR H 1 1 8 3867 1 1 14 TYR HA H -7.968 0.202 1.639 1.00 . A A . 14 TYR HA 1 1 8 3868 1 1 14 TYR HB2 H -10.096 -0.903 2.252 1.00 . A A . 14 TYR HB2 1 1 8 3869 1 1 14 TYR HB3 H -9.584 -2.328 1.346 1.00 . A A . 14 TYR HB3 1 1 8 3870 1 1 14 TYR HD1 H -9.139 -0.356 4.355 1.00 . A A . 14 TYR HD1 1 1 8 3871 1 1 14 TYR HD2 H -7.739 -3.676 2.109 1.00 . A A . 14 TYR HD2 1 1 8 3872 1 1 14 TYR HE1 H -7.806 -1.119 6.290 1.00 . A A . 14 TYR HE1 1 1 8 3873 1 1 14 TYR HE2 H -6.436 -4.466 3.995 1.00 . A A . 14 TYR HE2 1 1 8 3874 1 1 14 TYR HH H -6.866 -3.331 7.135 1.00 . A A . 14 TYR HH 1 1 8 3875 1 1 14 TYR N N -9.159 -0.016 -0.008 1.00 . A A . 14 TYR N 1 1 8 3876 1 1 14 TYR O O -6.120 -1.414 1.047 1.00 . A A . 14 TYR O 1 1 8 3877 1 1 14 TYR OH O -6.297 -3.280 6.355 1.00 . A A . 14 TYR OH 1 1 8 3878 1 1 15 LEU C C -5.484 -2.048 -1.974 1.00 . A A . 15 LEU C 1 1 8 3879 1 1 15 LEU CA C -6.420 -2.930 -1.169 1.00 . A A . 15 LEU CA 1 1 8 3880 1 1 15 LEU CB C -7.018 -4.036 -2.014 1.00 . A A . 15 LEU CB 1 1 8 3881 1 1 15 LEU CD1 C -8.867 -5.685 -2.347 1.00 . A A . 15 LEU CD1 1 1 8 3882 1 1 15 LEU CD2 C -7.634 -5.614 -0.179 1.00 . A A . 15 LEU CD2 1 1 8 3883 1 1 15 LEU CG C -8.158 -4.792 -1.345 1.00 . A A . 15 LEU CG 1 1 8 3884 1 1 15 LEU H H -8.332 -2.072 -1.012 1.00 . A A . 15 LEU H 1 1 8 3885 1 1 15 LEU HA H -5.871 -3.374 -0.356 1.00 . A A . 15 LEU HA 1 1 8 3886 1 1 15 LEU HB2 H -7.370 -3.620 -2.946 1.00 . A A . 15 LEU HB2 1 1 8 3887 1 1 15 LEU HB3 H -6.236 -4.741 -2.216 1.00 . A A . 15 LEU HB3 1 1 8 3888 1 1 15 LEU HD11 H -9.249 -5.083 -3.157 1.00 . A A . 15 LEU HD11 1 1 8 3889 1 1 15 LEU HD12 H -9.685 -6.193 -1.859 1.00 . A A . 15 LEU HD12 1 1 8 3890 1 1 15 LEU HD13 H -8.171 -6.413 -2.736 1.00 . A A . 15 LEU HD13 1 1 8 3891 1 1 15 LEU HD21 H -6.933 -6.350 -0.542 1.00 . A A . 15 LEU HD21 1 1 8 3892 1 1 15 LEU HD22 H -8.458 -6.112 0.309 1.00 . A A . 15 LEU HD22 1 1 8 3893 1 1 15 LEU HD23 H -7.138 -4.964 0.527 1.00 . A A . 15 LEU HD23 1 1 8 3894 1 1 15 LEU HG H -8.868 -4.079 -0.959 1.00 . A A . 15 LEU HG 1 1 8 3895 1 1 15 LEU N N -7.453 -2.112 -0.592 1.00 . A A . 15 LEU N 1 1 8 3896 1 1 15 LEU O O -4.345 -2.414 -2.257 1.00 . A A . 15 LEU O 1 1 8 3897 1 1 16 LYS C C -4.235 0.675 -1.722 1.00 . A A . 16 LYS C 1 1 8 3898 1 1 16 LYS CA C -5.138 0.184 -2.850 1.00 . A A . 16 LYS CA 1 1 8 3899 1 1 16 LYS CB C -6.038 1.304 -3.419 1.00 . A A . 16 LYS CB 1 1 8 3900 1 1 16 LYS CD C -5.258 3.446 -2.395 1.00 . A A . 16 LYS CD 1 1 8 3901 1 1 16 LYS CE C -6.557 4.181 -2.103 1.00 . A A . 16 LYS CE 1 1 8 3902 1 1 16 LYS CG C -5.335 2.629 -3.671 1.00 . A A . 16 LYS CG 1 1 8 3903 1 1 16 LYS H H -6.915 -0.665 -2.148 1.00 . A A . 16 LYS H 1 1 8 3904 1 1 16 LYS HA H -4.533 -0.238 -3.639 1.00 . A A . 16 LYS HA 1 1 8 3905 1 1 16 LYS HB2 H -6.465 0.969 -4.351 1.00 . A A . 16 LYS HB2 1 1 8 3906 1 1 16 LYS HB3 H -6.842 1.481 -2.720 1.00 . A A . 16 LYS HB3 1 1 8 3907 1 1 16 LYS HD2 H -5.059 2.762 -1.578 1.00 . A A . 16 LYS HD2 1 1 8 3908 1 1 16 LYS HD3 H -4.450 4.158 -2.477 1.00 . A A . 16 LYS HD3 1 1 8 3909 1 1 16 LYS HE2 H -7.361 3.463 -2.098 1.00 . A A . 16 LYS HE2 1 1 8 3910 1 1 16 LYS HE3 H -6.482 4.643 -1.130 1.00 . A A . 16 LYS HE3 1 1 8 3911 1 1 16 LYS HG2 H -4.338 2.437 -4.027 1.00 . A A . 16 LYS HG2 1 1 8 3912 1 1 16 LYS HG3 H -5.888 3.187 -4.414 1.00 . A A . 16 LYS HG3 1 1 8 3913 1 1 16 LYS HZ1 H -6.082 5.924 -3.153 1.00 . A A . 16 LYS HZ1 1 1 8 3914 1 1 16 LYS HZ2 H -7.735 5.725 -2.866 1.00 . A A . 16 LYS HZ2 1 1 8 3915 1 1 16 LYS HZ3 H -6.969 4.802 -4.055 1.00 . A A . 16 LYS HZ3 1 1 8 3916 1 1 16 LYS N N -5.971 -0.857 -2.304 1.00 . A A . 16 LYS N 1 1 8 3917 1 1 16 LYS NZ N -6.855 5.231 -3.114 1.00 . A A . 16 LYS NZ 1 1 8 3918 1 1 16 LYS O O -3.046 0.928 -1.913 1.00 . A A . 16 LYS O 1 1 8 3919 1 1 17 ILE C C -3.021 0.057 0.945 1.00 . A A . 17 ILE C 1 1 8 3920 1 1 17 ILE CA C -4.110 1.093 0.680 1.00 . A A . 17 ILE CA 1 1 8 3921 1 1 17 ILE CB C -5.097 1.177 1.874 1.00 . A A . 17 ILE CB 1 1 8 3922 1 1 17 ILE CD1 C -6.811 2.690 3.003 1.00 . A A . 17 ILE CD1 1 1 8 3923 1 1 17 ILE CG1 C -5.786 2.544 1.897 1.00 . A A . 17 ILE CG1 1 1 8 3924 1 1 17 ILE CG2 C -4.409 0.885 3.197 1.00 . A A . 17 ILE CG2 1 1 8 3925 1 1 17 ILE H H -5.790 0.604 -0.467 1.00 . A A . 17 ILE H 1 1 8 3926 1 1 17 ILE HA H -3.658 2.058 0.543 1.00 . A A . 17 ILE HA 1 1 8 3927 1 1 17 ILE HB H -5.849 0.417 1.727 1.00 . A A . 17 ILE HB 1 1 8 3928 1 1 17 ILE HD11 H -7.575 1.935 2.888 1.00 . A A . 17 ILE HD11 1 1 8 3929 1 1 17 ILE HD12 H -7.263 3.671 2.946 1.00 . A A . 17 ILE HD12 1 1 8 3930 1 1 17 ILE HD13 H -6.327 2.571 3.960 1.00 . A A . 17 ILE HD13 1 1 8 3931 1 1 17 ILE HG12 H -5.042 3.313 2.032 1.00 . A A . 17 ILE HG12 1 1 8 3932 1 1 17 ILE HG13 H -6.291 2.699 0.954 1.00 . A A . 17 ILE HG13 1 1 8 3933 1 1 17 ILE HG21 H -3.689 1.658 3.407 1.00 . A A . 17 ILE HG21 1 1 8 3934 1 1 17 ILE HG22 H -3.909 -0.069 3.129 1.00 . A A . 17 ILE HG22 1 1 8 3935 1 1 17 ILE HG23 H -5.149 0.847 3.986 1.00 . A A . 17 ILE HG23 1 1 8 3936 1 1 17 ILE N N -4.827 0.765 -0.531 1.00 . A A . 17 ILE N 1 1 8 3937 1 1 17 ILE O O -1.882 0.402 1.265 1.00 . A A . 17 ILE O 1 1 8 3938 1 1 18 SER C C -1.333 -2.210 -0.110 1.00 . A A . 18 SER C 1 1 8 3939 1 1 18 SER CA C -2.434 -2.312 0.934 1.00 . A A . 18 SER CA 1 1 8 3940 1 1 18 SER CB C -3.149 -3.650 0.765 1.00 . A A . 18 SER CB 1 1 8 3941 1 1 18 SER H H -4.313 -1.418 0.552 1.00 . A A . 18 SER H 1 1 8 3942 1 1 18 SER HA H -2.002 -2.256 1.921 1.00 . A A . 18 SER HA 1 1 8 3943 1 1 18 SER HB2 H -3.386 -3.799 -0.282 1.00 . A A . 18 SER HB2 1 1 8 3944 1 1 18 SER HB3 H -2.500 -4.444 1.101 1.00 . A A . 18 SER HB3 1 1 8 3945 1 1 18 SER HG H -4.511 -2.830 1.916 1.00 . A A . 18 SER HG 1 1 8 3946 1 1 18 SER N N -3.379 -1.215 0.780 1.00 . A A . 18 SER N 1 1 8 3947 1 1 18 SER O O -0.163 -2.439 0.178 1.00 . A A . 18 SER O 1 1 8 3948 1 1 18 SER OG O -4.349 -3.694 1.521 1.00 . A A . 18 SER OG 1 1 8 3949 1 1 19 PHE C C 0.269 -0.761 -2.220 1.00 . A A . 19 PHE C 1 1 8 3950 1 1 19 PHE CA C -0.811 -1.804 -2.447 1.00 . A A . 19 PHE CA 1 1 8 3951 1 1 19 PHE CB C -1.568 -1.488 -3.732 1.00 . A A . 19 PHE CB 1 1 8 3952 1 1 19 PHE CD1 C -0.060 -0.529 -5.485 1.00 . A A . 19 PHE CD1 1 1 8 3953 1 1 19 PHE CD2 C -0.571 -2.854 -5.564 1.00 . A A . 19 PHE CD2 1 1 8 3954 1 1 19 PHE CE1 C 0.730 -0.659 -6.610 1.00 . A A . 19 PHE CE1 1 1 8 3955 1 1 19 PHE CE2 C 0.216 -2.994 -6.690 1.00 . A A . 19 PHE CE2 1 1 8 3956 1 1 19 PHE CG C -0.718 -1.624 -4.955 1.00 . A A . 19 PHE CG 1 1 8 3957 1 1 19 PHE CZ C 0.870 -1.895 -7.213 1.00 . A A . 19 PHE CZ 1 1 8 3958 1 1 19 PHE H H -2.671 -1.633 -1.472 1.00 . A A . 19 PHE H 1 1 8 3959 1 1 19 PHE HA H -0.344 -2.773 -2.544 1.00 . A A . 19 PHE HA 1 1 8 3960 1 1 19 PHE HB2 H -2.403 -2.167 -3.827 1.00 . A A . 19 PHE HB2 1 1 8 3961 1 1 19 PHE HB3 H -1.936 -0.472 -3.688 1.00 . A A . 19 PHE HB3 1 1 8 3962 1 1 19 PHE HD1 H -0.165 0.438 -5.007 1.00 . A A . 19 PHE HD1 1 1 8 3963 1 1 19 PHE HD2 H -1.082 -3.714 -5.147 1.00 . A A . 19 PHE HD2 1 1 8 3964 1 1 19 PHE HE1 H 1.240 0.201 -7.015 1.00 . A A . 19 PHE HE1 1 1 8 3965 1 1 19 PHE HE2 H 0.322 -3.961 -7.158 1.00 . A A . 19 PHE HE2 1 1 8 3966 1 1 19 PHE HZ H 1.486 -2.000 -8.094 1.00 . A A . 19 PHE HZ 1 1 8 3967 1 1 19 PHE N N -1.728 -1.859 -1.326 1.00 . A A . 19 PHE N 1 1 8 3968 1 1 19 PHE O O 1.458 -1.080 -2.199 1.00 . A A . 19 PHE O 1 1 8 3969 1 1 20 LEU C C 1.553 1.354 -0.540 1.00 . A A . 20 LEU C 1 1 8 3970 1 1 20 LEU CA C 0.779 1.578 -1.825 1.00 . A A . 20 LEU CA 1 1 8 3971 1 1 20 LEU CB C 0.042 2.918 -1.783 1.00 . A A . 20 LEU CB 1 1 8 3972 1 1 20 LEU CD1 C -1.281 2.685 -3.899 1.00 . A A . 20 LEU CD1 1 1 8 3973 1 1 20 LEU CD2 C -0.788 4.956 -2.979 1.00 . A A . 20 LEU CD2 1 1 8 3974 1 1 20 LEU CG C -0.274 3.534 -3.145 1.00 . A A . 20 LEU CG 1 1 8 3975 1 1 20 LEU H H -1.113 0.677 -2.094 1.00 . A A . 20 LEU H 1 1 8 3976 1 1 20 LEU HA H 1.480 1.592 -2.647 1.00 . A A . 20 LEU HA 1 1 8 3977 1 1 20 LEU HB2 H -0.891 2.767 -1.261 1.00 . A A . 20 LEU HB2 1 1 8 3978 1 1 20 LEU HB3 H 0.641 3.618 -1.224 1.00 . A A . 20 LEU HB3 1 1 8 3979 1 1 20 LEU HD11 H -1.344 3.019 -4.923 1.00 . A A . 20 LEU HD11 1 1 8 3980 1 1 20 LEU HD12 H -2.248 2.774 -3.429 1.00 . A A . 20 LEU HD12 1 1 8 3981 1 1 20 LEU HD13 H -0.961 1.654 -3.872 1.00 . A A . 20 LEU HD13 1 1 8 3982 1 1 20 LEU HD21 H -0.034 5.558 -2.494 1.00 . A A . 20 LEU HD21 1 1 8 3983 1 1 20 LEU HD22 H -1.684 4.948 -2.377 1.00 . A A . 20 LEU HD22 1 1 8 3984 1 1 20 LEU HD23 H -1.011 5.373 -3.951 1.00 . A A . 20 LEU HD23 1 1 8 3985 1 1 20 LEU HG H 0.629 3.570 -3.730 1.00 . A A . 20 LEU HG 1 1 8 3986 1 1 20 LEU N N -0.150 0.486 -2.057 1.00 . A A . 20 LEU N 1 1 8 3987 1 1 20 LEU O O 2.754 1.581 -0.493 1.00 . A A . 20 LEU O 1 1 8 3988 1 1 21 GLY C C 2.593 -0.491 1.602 1.00 . A A . 21 GLY C 1 1 8 3989 1 1 21 GLY CA C 1.519 0.571 1.747 1.00 . A A . 21 GLY CA 1 1 8 3990 1 1 21 GLY H H -0.097 0.698 0.384 1.00 . A A . 21 GLY H 1 1 8 3991 1 1 21 GLY HA2 H 1.970 1.477 2.126 1.00 . A A . 21 GLY HA2 1 1 8 3992 1 1 21 GLY HA3 H 0.778 0.227 2.451 1.00 . A A . 21 GLY HA3 1 1 8 3993 1 1 21 GLY N N 0.866 0.864 0.485 1.00 . A A . 21 GLY N 1 1 8 3994 1 1 21 GLY O O 3.552 -0.523 2.369 1.00 . A A . 21 GLY O 1 1 8 3995 1 1 22 CYS C C 4.480 -1.935 -0.616 1.00 . A A . 22 CYS C 1 1 8 3996 1 1 22 CYS CA C 3.387 -2.415 0.339 1.00 . A A . 22 CYS CA 1 1 8 3997 1 1 22 CYS CB C 2.669 -3.635 -0.249 1.00 . A A . 22 CYS CB 1 1 8 3998 1 1 22 CYS H H 1.623 -1.293 0.055 1.00 . A A . 22 CYS H 1 1 8 3999 1 1 22 CYS HA H 3.844 -2.696 1.277 1.00 . A A . 22 CYS HA 1 1 8 4000 1 1 22 CYS HB2 H 1.969 -4.012 0.481 1.00 . A A . 22 CYS HB2 1 1 8 4001 1 1 22 CYS HB3 H 2.127 -3.330 -1.133 1.00 . A A . 22 CYS HB3 1 1 8 4002 1 1 22 CYS HG H 4.180 -5.585 0.400 1.00 . A A . 22 CYS HG 1 1 8 4003 1 1 22 CYS N N 2.427 -1.358 0.612 1.00 . A A . 22 CYS N 1 1 8 4004 1 1 22 CYS O O 5.579 -2.485 -0.635 1.00 . A A . 22 CYS O 1 1 8 4005 1 1 22 CYS SG S 3.758 -5.002 -0.714 1.00 . A A . 22 CYS SG 1 1 8 4006 1 1 23 LYS C C 6.012 0.705 -1.754 1.00 . A A . 23 LYS C 1 1 8 4007 1 1 23 LYS CA C 5.163 -0.406 -2.367 1.00 . A A . 23 LYS CA 1 1 8 4008 1 1 23 LYS CB C 4.457 0.094 -3.633 1.00 . A A . 23 LYS CB 1 1 8 4009 1 1 23 LYS CD C 4.659 0.970 -5.979 1.00 . A A . 23 LYS CD 1 1 8 4010 1 1 23 LYS CE C 5.614 1.425 -7.072 1.00 . A A . 23 LYS CE 1 1 8 4011 1 1 23 LYS CG C 5.408 0.568 -4.719 1.00 . A A . 23 LYS CG 1 1 8 4012 1 1 23 LYS H H 3.289 -0.504 -1.367 1.00 . A A . 23 LYS H 1 1 8 4013 1 1 23 LYS HA H 5.815 -1.226 -2.626 1.00 . A A . 23 LYS HA 1 1 8 4014 1 1 23 LYS HB2 H 3.857 -0.709 -4.035 1.00 . A A . 23 LYS HB2 1 1 8 4015 1 1 23 LYS HB3 H 3.809 0.916 -3.368 1.00 . A A . 23 LYS HB3 1 1 8 4016 1 1 23 LYS HD2 H 4.094 0.123 -6.338 1.00 . A A . 23 LYS HD2 1 1 8 4017 1 1 23 LYS HD3 H 3.986 1.780 -5.742 1.00 . A A . 23 LYS HD3 1 1 8 4018 1 1 23 LYS HE2 H 6.146 2.297 -6.725 1.00 . A A . 23 LYS HE2 1 1 8 4019 1 1 23 LYS HE3 H 6.320 0.630 -7.271 1.00 . A A . 23 LYS HE3 1 1 8 4020 1 1 23 LYS HG2 H 5.961 1.419 -4.355 1.00 . A A . 23 LYS HG2 1 1 8 4021 1 1 23 LYS HG3 H 6.093 -0.232 -4.958 1.00 . A A . 23 LYS HG3 1 1 8 4022 1 1 23 LYS HZ1 H 5.576 2.092 -9.049 1.00 . A A . 23 LYS HZ1 1 1 8 4023 1 1 23 LYS HZ2 H 4.204 2.515 -8.159 1.00 . A A . 23 LYS HZ2 1 1 8 4024 1 1 23 LYS HZ3 H 4.404 0.926 -8.699 1.00 . A A . 23 LYS HZ3 1 1 8 4025 1 1 23 LYS N N 4.185 -0.914 -1.411 1.00 . A A . 23 LYS N 1 1 8 4026 1 1 23 LYS NZ N 4.901 1.764 -8.331 1.00 . A A . 23 LYS NZ 1 1 8 4027 1 1 23 LYS O O 7.236 0.725 -1.907 1.00 . A A . 23 LYS O 1 1 8 4028 1 1 24 VAL C C 6.646 2.305 0.939 1.00 . A A . 24 VAL C 1 1 8 4029 1 1 24 VAL CA C 6.053 2.731 -0.415 1.00 . A A . 24 VAL CA 1 1 8 4030 1 1 24 VAL CB C 5.096 3.913 -0.228 1.00 . A A . 24 VAL CB 1 1 8 4031 1 1 24 VAL CG1 C 4.282 3.680 0.999 1.00 . A A . 24 VAL CG1 1 1 8 4032 1 1 24 VAL CG2 C 5.835 5.234 -0.150 1.00 . A A . 24 VAL CG2 1 1 8 4033 1 1 24 VAL H H 4.389 1.538 -0.942 1.00 . A A . 24 VAL H 1 1 8 4034 1 1 24 VAL HA H 6.855 3.050 -1.056 1.00 . A A . 24 VAL HA 1 1 8 4035 1 1 24 VAL HB H 4.427 3.946 -1.076 1.00 . A A . 24 VAL HB 1 1 8 4036 1 1 24 VAL HG11 H 4.961 3.443 1.800 1.00 . A A . 24 VAL HG11 1 1 8 4037 1 1 24 VAL HG12 H 3.619 2.850 0.826 1.00 . A A . 24 VAL HG12 1 1 8 4038 1 1 24 VAL HG13 H 3.721 4.563 1.242 1.00 . A A . 24 VAL HG13 1 1 8 4039 1 1 24 VAL HG21 H 6.417 5.375 -1.047 1.00 . A A . 24 VAL HG21 1 1 8 4040 1 1 24 VAL HG22 H 6.490 5.227 0.709 1.00 . A A . 24 VAL HG22 1 1 8 4041 1 1 24 VAL HG23 H 5.123 6.036 -0.052 1.00 . A A . 24 VAL HG23 1 1 8 4042 1 1 24 VAL N N 5.367 1.614 -1.045 1.00 . A A . 24 VAL N 1 1 8 4043 1 1 24 VAL O O 7.167 3.120 1.702 1.00 . A A . 24 VAL O 1 1 8 4044 1 1 25 VAL C C 8.636 0.019 1.941 1.00 . A A . 25 VAL C 1 1 8 4045 1 1 25 VAL CA C 7.257 0.482 2.389 1.00 . A A . 25 VAL CA 1 1 8 4046 1 1 25 VAL CB C 6.500 -0.704 3.016 1.00 . A A . 25 VAL CB 1 1 8 4047 1 1 25 VAL CG1 C 6.622 -1.937 2.138 1.00 . A A . 25 VAL CG1 1 1 8 4048 1 1 25 VAL CG2 C 6.999 -0.991 4.421 1.00 . A A . 25 VAL CG2 1 1 8 4049 1 1 25 VAL H H 5.998 0.438 0.692 1.00 . A A . 25 VAL H 1 1 8 4050 1 1 25 VAL HA H 7.363 1.265 3.126 1.00 . A A . 25 VAL HA 1 1 8 4051 1 1 25 VAL HB H 5.455 -0.437 3.078 1.00 . A A . 25 VAL HB 1 1 8 4052 1 1 25 VAL HG11 H 7.668 -2.194 2.033 1.00 . A A . 25 VAL HG11 1 1 8 4053 1 1 25 VAL HG12 H 6.206 -1.727 1.158 1.00 . A A . 25 VAL HG12 1 1 8 4054 1 1 25 VAL HG13 H 6.090 -2.759 2.591 1.00 . A A . 25 VAL HG13 1 1 8 4055 1 1 25 VAL HG21 H 6.470 -1.841 4.823 1.00 . A A . 25 VAL HG21 1 1 8 4056 1 1 25 VAL HG22 H 6.826 -0.129 5.047 1.00 . A A . 25 VAL HG22 1 1 8 4057 1 1 25 VAL HG23 H 8.057 -1.208 4.390 1.00 . A A . 25 VAL HG23 1 1 8 4058 1 1 25 VAL N N 6.556 1.025 1.241 1.00 . A A . 25 VAL N 1 1 8 4059 1 1 25 VAL O O 9.587 -0.012 2.717 1.00 . A A . 25 VAL O 1 1 8 4060 1 1 26 VAL C C 10.969 0.287 -0.030 1.00 . A A . 26 VAL C 1 1 8 4061 1 1 26 VAL CA C 9.941 -0.812 0.062 1.00 . A A . 26 VAL CA 1 1 8 4062 1 1 26 VAL CB C 9.670 -1.337 -1.359 1.00 . A A . 26 VAL CB 1 1 8 4063 1 1 26 VAL CG1 C 10.951 -1.831 -2.011 1.00 . A A . 26 VAL CG1 1 1 8 4064 1 1 26 VAL CG2 C 8.623 -2.438 -1.341 1.00 . A A . 26 VAL CG2 1 1 8 4065 1 1 26 VAL H H 7.928 -0.223 0.096 1.00 . A A . 26 VAL H 1 1 8 4066 1 1 26 VAL HA H 10.321 -1.608 0.661 1.00 . A A . 26 VAL HA 1 1 8 4067 1 1 26 VAL HB H 9.283 -0.509 -1.944 1.00 . A A . 26 VAL HB 1 1 8 4068 1 1 26 VAL HG11 H 10.733 -2.191 -3.005 1.00 . A A . 26 VAL HG11 1 1 8 4069 1 1 26 VAL HG12 H 11.367 -2.632 -1.419 1.00 . A A . 26 VAL HG12 1 1 8 4070 1 1 26 VAL HG13 H 11.660 -1.019 -2.068 1.00 . A A . 26 VAL HG13 1 1 8 4071 1 1 26 VAL HG21 H 8.424 -2.761 -2.351 1.00 . A A . 26 VAL HG21 1 1 8 4072 1 1 26 VAL HG22 H 7.713 -2.063 -0.897 1.00 . A A . 26 VAL HG22 1 1 8 4073 1 1 26 VAL HG23 H 8.989 -3.271 -0.763 1.00 . A A . 26 VAL HG23 1 1 8 4074 1 1 26 VAL N N 8.723 -0.315 0.662 1.00 . A A . 26 VAL N 1 1 8 4075 1 1 26 VAL O O 12.110 0.150 0.400 1.00 . A A . 26 VAL O 1 1 8 4076 1 1 27 LEU C C 11.905 3.256 0.284 1.00 . A A . 27 LEU C 1 1 8 4077 1 1 27 LEU CA C 11.393 2.473 -0.943 1.00 . A A . 27 LEU CA 1 1 8 4078 1 1 27 LEU CB C 10.681 3.338 -2.011 1.00 . A A . 27 LEU CB 1 1 8 4079 1 1 27 LEU CD1 C 8.678 4.645 -2.649 1.00 . A A . 27 LEU CD1 1 1 8 4080 1 1 27 LEU CD2 C 9.016 4.036 -0.289 1.00 . A A . 27 LEU CD2 1 1 8 4081 1 1 27 LEU CG C 9.700 4.417 -1.561 1.00 . A A . 27 LEU CG 1 1 8 4082 1 1 27 LEU H H 9.564 1.461 -0.754 1.00 . A A . 27 LEU H 1 1 8 4083 1 1 27 LEU HA H 12.246 2.015 -1.406 1.00 . A A . 27 LEU HA 1 1 8 4084 1 1 27 LEU HB2 H 11.432 3.809 -2.623 1.00 . A A . 27 LEU HB2 1 1 8 4085 1 1 27 LEU HB3 H 10.112 2.657 -2.637 1.00 . A A . 27 LEU HB3 1 1 8 4086 1 1 27 LEU HD11 H 7.993 5.420 -2.344 1.00 . A A . 27 LEU HD11 1 1 8 4087 1 1 27 LEU HD12 H 8.132 3.724 -2.814 1.00 . A A . 27 LEU HD12 1 1 8 4088 1 1 27 LEU HD13 H 9.180 4.936 -3.557 1.00 . A A . 27 LEU HD13 1 1 8 4089 1 1 27 LEU HD21 H 8.229 4.740 -0.074 1.00 . A A . 27 LEU HD21 1 1 8 4090 1 1 27 LEU HD22 H 9.738 4.043 0.506 1.00 . A A . 27 LEU HD22 1 1 8 4091 1 1 27 LEU HD23 H 8.603 3.042 -0.386 1.00 . A A . 27 LEU HD23 1 1 8 4092 1 1 27 LEU HG H 10.223 5.338 -1.399 1.00 . A A . 27 LEU HG 1 1 8 4093 1 1 27 LEU N N 10.520 1.387 -0.571 1.00 . A A . 27 LEU N 1 1 8 4094 1 1 27 LEU O O 12.889 3.988 0.194 1.00 . A A . 27 LEU O 1 1 8 4095 1 1 28 LEU C C 12.356 2.613 3.546 1.00 . A A . 28 LEU C 1 1 8 4096 1 1 28 LEU CA C 11.691 3.677 2.693 1.00 . A A . 28 LEU CA 1 1 8 4097 1 1 28 LEU CB C 10.536 4.273 3.510 1.00 . A A . 28 LEU CB 1 1 8 4098 1 1 28 LEU CD1 C 8.587 5.820 3.733 1.00 . A A . 28 LEU CD1 1 1 8 4099 1 1 28 LEU CD2 C 10.519 6.453 2.280 1.00 . A A . 28 LEU CD2 1 1 8 4100 1 1 28 LEU CG C 9.671 5.304 2.801 1.00 . A A . 28 LEU CG 1 1 8 4101 1 1 28 LEU H H 10.397 2.570 1.424 1.00 . A A . 28 LEU H 1 1 8 4102 1 1 28 LEU HA H 12.407 4.453 2.466 1.00 . A A . 28 LEU HA 1 1 8 4103 1 1 28 LEU HB2 H 9.896 3.461 3.823 1.00 . A A . 28 LEU HB2 1 1 8 4104 1 1 28 LEU HB3 H 10.954 4.734 4.392 1.00 . A A . 28 LEU HB3 1 1 8 4105 1 1 28 LEU HD11 H 7.951 5.000 4.032 1.00 . A A . 28 LEU HD11 1 1 8 4106 1 1 28 LEU HD12 H 7.996 6.565 3.220 1.00 . A A . 28 LEU HD12 1 1 8 4107 1 1 28 LEU HD13 H 9.042 6.260 4.607 1.00 . A A . 28 LEU HD13 1 1 8 4108 1 1 28 LEU HD21 H 11.239 6.075 1.570 1.00 . A A . 28 LEU HD21 1 1 8 4109 1 1 28 LEU HD22 H 11.036 6.922 3.103 1.00 . A A . 28 LEU HD22 1 1 8 4110 1 1 28 LEU HD23 H 9.882 7.178 1.795 1.00 . A A . 28 LEU HD23 1 1 8 4111 1 1 28 LEU HG H 9.191 4.830 1.966 1.00 . A A . 28 LEU HG 1 1 8 4112 1 1 28 LEU N N 11.226 3.094 1.430 1.00 . A A . 28 LEU N 1 1 8 4113 1 1 28 LEU O O 13.219 2.906 4.375 1.00 . A A . 28 LEU O 1 1 8 4114 1 1 29 LYS C C 11.589 0.393 5.532 1.00 . A A . 29 LYS C 1 1 8 4115 1 1 29 LYS CA C 12.262 0.235 4.174 1.00 . A A . 29 LYS CA 1 1 8 4116 1 1 29 LYS CB C 13.782 0.068 4.313 1.00 . A A . 29 LYS CB 1 1 8 4117 1 1 29 LYS CD C 13.975 -1.515 2.357 1.00 . A A . 29 LYS CD 1 1 8 4118 1 1 29 LYS CE C 14.585 -1.740 0.980 1.00 . A A . 29 LYS CE 1 1 8 4119 1 1 29 LYS CG C 14.488 -0.231 2.995 1.00 . A A . 29 LYS CG 1 1 8 4120 1 1 29 LYS H H 11.311 1.225 2.568 1.00 . A A . 29 LYS H 1 1 8 4121 1 1 29 LYS HA H 11.857 -0.648 3.702 1.00 . A A . 29 LYS HA 1 1 8 4122 1 1 29 LYS HB2 H 14.194 0.981 4.714 1.00 . A A . 29 LYS HB2 1 1 8 4123 1 1 29 LYS HB3 H 13.985 -0.742 4.997 1.00 . A A . 29 LYS HB3 1 1 8 4124 1 1 29 LYS HD2 H 14.231 -2.348 2.991 1.00 . A A . 29 LYS HD2 1 1 8 4125 1 1 29 LYS HD3 H 12.902 -1.453 2.258 1.00 . A A . 29 LYS HD3 1 1 8 4126 1 1 29 LYS HE2 H 14.115 -2.601 0.529 1.00 . A A . 29 LYS HE2 1 1 8 4127 1 1 29 LYS HE3 H 14.394 -0.870 0.370 1.00 . A A . 29 LYS HE3 1 1 8 4128 1 1 29 LYS HG2 H 14.318 0.589 2.315 1.00 . A A . 29 LYS HG2 1 1 8 4129 1 1 29 LYS HG3 H 15.547 -0.331 3.183 1.00 . A A . 29 LYS HG3 1 1 8 4130 1 1 29 LYS HZ1 H 16.519 -1.179 1.522 1.00 . A A . 29 LYS HZ1 1 1 8 4131 1 1 29 LYS HZ2 H 16.442 -2.060 0.085 1.00 . A A . 29 LYS HZ2 1 1 8 4132 1 1 29 LYS HZ3 H 16.253 -2.848 1.568 1.00 . A A . 29 LYS HZ3 1 1 8 4133 1 1 29 LYS N N 11.913 1.375 3.328 1.00 . A A . 29 LYS N 1 1 8 4134 1 1 29 LYS NZ N 16.051 -1.974 1.044 1.00 . A A . 29 LYS NZ 1 1 8 4135 1 1 29 LYS O O 12.093 -0.071 6.556 1.00 . A A . 29 LYS O 1 1 8 4136 1 1 30 ARG C C 10.383 2.228 7.651 1.00 . A A . 30 ARG C 1 1 8 4137 1 1 30 ARG CA C 9.617 1.344 6.670 1.00 . A A . 30 ARG CA 1 1 8 4138 1 1 30 ARG CB C 9.124 0.071 7.359 1.00 . A A . 30 ARG CB 1 1 8 4139 1 1 30 ARG CD C 7.633 -0.923 9.131 1.00 . A A . 30 ARG CD 1 1 8 4140 1 1 30 ARG CG C 8.156 0.354 8.494 1.00 . A A . 30 ARG CG 1 1 8 4141 1 1 30 ARG CZ C 8.826 -2.190 10.893 1.00 . A A . 30 ARG CZ 1 1 8 4142 1 1 30 ARG H H 10.082 1.323 4.624 1.00 . A A . 30 ARG H 1 1 8 4143 1 1 30 ARG HA H 8.756 1.899 6.328 1.00 . A A . 30 ARG HA 1 1 8 4144 1 1 30 ARG HB2 H 8.625 -0.551 6.632 1.00 . A A . 30 ARG HB2 1 1 8 4145 1 1 30 ARG HB3 H 9.972 -0.464 7.760 1.00 . A A . 30 ARG HB3 1 1 8 4146 1 1 30 ARG HD2 H 6.986 -0.658 9.953 1.00 . A A . 30 ARG HD2 1 1 8 4147 1 1 30 ARG HD3 H 7.067 -1.470 8.392 1.00 . A A . 30 ARG HD3 1 1 8 4148 1 1 30 ARG HE H 9.385 -2.076 8.973 1.00 . A A . 30 ARG HE 1 1 8 4149 1 1 30 ARG HG2 H 8.665 0.936 9.244 1.00 . A A . 30 ARG HG2 1 1 8 4150 1 1 30 ARG HG3 H 7.323 0.919 8.104 1.00 . A A . 30 ARG HG3 1 1 8 4151 1 1 30 ARG HH11 H 7.224 -1.149 11.576 1.00 . A A . 30 ARG HH11 1 1 8 4152 1 1 30 ARG HH12 H 8.061 -2.084 12.769 1.00 . A A . 30 ARG HH12 1 1 8 4153 1 1 30 ARG HH21 H 10.475 -3.317 10.544 1.00 . A A . 30 ARG HH21 1 1 8 4154 1 1 30 ARG HH22 H 9.904 -3.327 12.181 1.00 . A A . 30 ARG HH22 1 1 8 4155 1 1 30 ARG N N 10.421 1.040 5.493 1.00 . A A . 30 ARG N 1 1 8 4156 1 1 30 ARG NE N 8.713 -1.775 9.630 1.00 . A A . 30 ARG NE 1 1 8 4157 1 1 30 ARG NH1 N 7.966 -1.775 11.819 1.00 . A A . 30 ARG NH1 1 1 8 4158 1 1 30 ARG NH2 N 9.814 -3.009 11.234 1.00 . A A . 30 ARG NH2 1 1 8 4159 1 1 30 ARG O O 10.214 3.465 7.588 1.00 . A A . 30 ARG O 1 1 8 4160 1 1 30 ARG OXT O 11.147 1.697 8.475 1.00 . A A . 30 ARG OXT 1 1 9 4161 1 1 1 MET C C -32.528 -2.866 -2.566 1.00 . A A . 1 MET C 1 1 9 4162 1 1 1 MET CA C -33.744 -2.147 -3.135 1.00 . A A . 1 MET CA 1 1 9 4163 1 1 1 MET CB C -34.976 -3.067 -3.078 1.00 . A A . 1 MET CB 1 1 9 4164 1 1 1 MET CE C -37.617 -4.471 -4.149 1.00 . A A . 1 MET CE 1 1 9 4165 1 1 1 MET CG C -34.859 -4.327 -3.924 1.00 . A A . 1 MET CG 1 1 9 4166 1 1 1 MET H1 H -33.299 -2.487 -5.145 1.00 . A A . 1 MET H1 1 1 9 4167 1 1 1 MET H2 H -32.670 -1.041 -4.539 1.00 . A A . 1 MET H2 1 1 9 4168 1 1 1 MET H3 H -34.320 -1.168 -4.884 1.00 . A A . 1 MET H3 1 1 9 4169 1 1 1 MET HA H -33.931 -1.281 -2.530 1.00 . A A . 1 MET HA 1 1 9 4170 1 1 1 MET HB2 H -35.136 -3.364 -2.052 1.00 . A A . 1 MET HB2 1 1 9 4171 1 1 1 MET HB3 H -35.837 -2.510 -3.417 1.00 . A A . 1 MET HB3 1 1 9 4172 1 1 1 MET HE1 H -38.523 -5.055 -4.079 1.00 . A A . 1 MET HE1 1 1 9 4173 1 1 1 MET HE2 H -37.481 -4.139 -5.168 1.00 . A A . 1 MET HE2 1 1 9 4174 1 1 1 MET HE3 H -37.689 -3.613 -3.497 1.00 . A A . 1 MET HE3 1 1 9 4175 1 1 1 MET HG2 H -34.846 -4.044 -4.966 1.00 . A A . 1 MET HG2 1 1 9 4176 1 1 1 MET HG3 H -33.932 -4.824 -3.676 1.00 . A A . 1 MET HG3 1 1 9 4177 1 1 1 MET N N -33.493 -1.681 -4.521 1.00 . A A . 1 MET N 1 1 9 4178 1 1 1 MET O O -32.159 -2.663 -1.412 1.00 . A A . 1 MET O 1 1 9 4179 1 1 1 MET SD S -36.220 -5.478 -3.660 1.00 . A A . 1 MET SD 1 1 9 4180 1 1 2 ALA C C -29.463 -3.606 -3.172 1.00 . A A . 2 ALA C 1 1 9 4181 1 1 2 ALA CA C -30.721 -4.435 -2.954 1.00 . A A . 2 ALA CA 1 1 9 4182 1 1 2 ALA CB C -30.634 -5.760 -3.697 1.00 . A A . 2 ALA CB 1 1 9 4183 1 1 2 ALA H H -32.210 -3.787 -4.302 1.00 . A A . 2 ALA H 1 1 9 4184 1 1 2 ALA HA H -30.825 -4.644 -1.897 1.00 . A A . 2 ALA HA 1 1 9 4185 1 1 2 ALA HB1 H -30.501 -5.571 -4.753 1.00 . A A . 2 ALA HB1 1 1 9 4186 1 1 2 ALA HB2 H -31.544 -6.320 -3.543 1.00 . A A . 2 ALA HB2 1 1 9 4187 1 1 2 ALA HB3 H -29.793 -6.327 -3.325 1.00 . A A . 2 ALA HB3 1 1 9 4188 1 1 2 ALA N N -31.892 -3.688 -3.383 1.00 . A A . 2 ALA N 1 1 9 4189 1 1 2 ALA O O -28.545 -4.014 -3.883 1.00 . A A . 2 ALA O 1 1 9 4190 1 1 3 THR C C -27.164 -1.919 -1.848 1.00 . A A . 3 THR C 1 1 9 4191 1 1 3 THR CA C -28.339 -1.504 -2.726 1.00 . A A . 3 THR CA 1 1 9 4192 1 1 3 THR CB C -28.781 -0.076 -2.355 1.00 . A A . 3 THR CB 1 1 9 4193 1 1 3 THR CG2 C -27.772 0.958 -2.835 1.00 . A A . 3 THR CG2 1 1 9 4194 1 1 3 THR H H -30.195 -2.181 -1.989 1.00 . A A . 3 THR H 1 1 9 4195 1 1 3 THR HA H -28.033 -1.512 -3.762 1.00 . A A . 3 THR HA 1 1 9 4196 1 1 3 THR HB H -28.865 -0.008 -1.279 1.00 . A A . 3 THR HB 1 1 9 4197 1 1 3 THR HG1 H -30.082 -0.157 -3.844 1.00 . A A . 3 THR HG1 1 1 9 4198 1 1 3 THR HG21 H -27.685 0.904 -3.910 1.00 . A A . 3 THR HG21 1 1 9 4199 1 1 3 THR HG22 H -26.811 0.759 -2.385 1.00 . A A . 3 THR HG22 1 1 9 4200 1 1 3 THR HG23 H -28.105 1.946 -2.550 1.00 . A A . 3 THR HG23 1 1 9 4201 1 1 3 THR N N -29.442 -2.430 -2.569 1.00 . A A . 3 THR N 1 1 9 4202 1 1 3 THR O O -27.354 -2.354 -0.709 1.00 . A A . 3 THR O 1 1 9 4203 1 1 3 THR OG1 O -30.061 0.197 -2.944 1.00 . A A . 3 THR OG1 1 1 9 4204 1 1 4 LYS C C -24.466 -1.062 -0.608 1.00 . A A . 4 LYS C 1 1 9 4205 1 1 4 LYS CA C -24.761 -2.142 -1.633 1.00 . A A . 4 LYS CA 1 1 9 4206 1 1 4 LYS CB C -23.569 -2.342 -2.570 1.00 . A A . 4 LYS CB 1 1 9 4207 1 1 4 LYS CD C -22.535 -3.695 -4.427 1.00 . A A . 4 LYS CD 1 1 9 4208 1 1 4 LYS CE C -22.203 -2.481 -5.277 1.00 . A A . 4 LYS CE 1 1 9 4209 1 1 4 LYS CG C -23.771 -3.468 -3.572 1.00 . A A . 4 LYS CG 1 1 9 4210 1 1 4 LYS H H -25.873 -1.486 -3.311 1.00 . A A . 4 LYS H 1 1 9 4211 1 1 4 LYS HA H -24.956 -3.061 -1.107 1.00 . A A . 4 LYS HA 1 1 9 4212 1 1 4 LYS HB2 H -23.397 -1.426 -3.116 1.00 . A A . 4 LYS HB2 1 1 9 4213 1 1 4 LYS HB3 H -22.694 -2.568 -1.977 1.00 . A A . 4 LYS HB3 1 1 9 4214 1 1 4 LYS HD2 H -21.698 -3.904 -3.780 1.00 . A A . 4 LYS HD2 1 1 9 4215 1 1 4 LYS HD3 H -22.709 -4.541 -5.077 1.00 . A A . 4 LYS HD3 1 1 9 4216 1 1 4 LYS HE2 H -23.034 -2.279 -5.937 1.00 . A A . 4 LYS HE2 1 1 9 4217 1 1 4 LYS HE3 H -22.048 -1.633 -4.626 1.00 . A A . 4 LYS HE3 1 1 9 4218 1 1 4 LYS HG2 H -23.995 -4.377 -3.035 1.00 . A A . 4 LYS HG2 1 1 9 4219 1 1 4 LYS HG3 H -24.603 -3.216 -4.215 1.00 . A A . 4 LYS HG3 1 1 9 4220 1 1 4 LYS HZ1 H -21.117 -3.496 -6.741 1.00 . A A . 4 LYS HZ1 1 1 9 4221 1 1 4 LYS HZ2 H -20.167 -2.902 -5.474 1.00 . A A . 4 LYS HZ2 1 1 9 4222 1 1 4 LYS HZ3 H -20.765 -1.844 -6.650 1.00 . A A . 4 LYS HZ3 1 1 9 4223 1 1 4 LYS N N -25.959 -1.806 -2.385 1.00 . A A . 4 LYS N 1 1 9 4224 1 1 4 LYS NZ N -20.979 -2.695 -6.091 1.00 . A A . 4 LYS NZ 1 1 9 4225 1 1 4 LYS O O -23.894 -0.016 -0.924 1.00 . A A . 4 LYS O 1 1 9 4226 1 1 5 HIS C C -24.340 -1.083 2.976 1.00 . A A . 5 HIS C 1 1 9 4227 1 1 5 HIS CA C -24.746 -0.365 1.699 1.00 . A A . 5 HIS CA 1 1 9 4228 1 1 5 HIS CB C -26.072 0.372 1.900 1.00 . A A . 5 HIS CB 1 1 9 4229 1 1 5 HIS CD2 C -25.623 2.827 2.623 1.00 . A A . 5 HIS CD2 1 1 9 4230 1 1 5 HIS CE1 C -26.173 2.650 4.735 1.00 . A A . 5 HIS CE1 1 1 9 4231 1 1 5 HIS CG C -25.990 1.543 2.839 1.00 . A A . 5 HIS CG 1 1 9 4232 1 1 5 HIS H H -25.292 -2.195 0.806 1.00 . A A . 5 HIS H 1 1 9 4233 1 1 5 HIS HA H -23.979 0.345 1.430 1.00 . A A . 5 HIS HA 1 1 9 4234 1 1 5 HIS HB2 H -26.415 0.733 0.942 1.00 . A A . 5 HIS HB2 1 1 9 4235 1 1 5 HIS HB3 H -26.800 -0.322 2.295 1.00 . A A . 5 HIS HB3 1 1 9 4236 1 1 5 HIS HD1 H -26.634 0.657 4.645 1.00 . A A . 5 HIS HD1 1 1 9 4237 1 1 5 HIS HD2 H -25.297 3.251 1.684 1.00 . A A . 5 HIS HD2 1 1 9 4238 1 1 5 HIS HE1 H -26.366 2.889 5.771 1.00 . A A . 5 HIS HE1 1 1 9 4239 1 1 5 HIS HE2 H -25.497 4.430 3.977 1.00 . A A . 5 HIS HE2 1 1 9 4240 1 1 5 HIS N N -24.881 -1.322 0.619 1.00 . A A . 5 HIS N 1 1 9 4241 1 1 5 HIS ND1 N -26.328 1.465 4.174 1.00 . A A . 5 HIS ND1 1 1 9 4242 1 1 5 HIS NE2 N -25.747 3.492 3.816 1.00 . A A . 5 HIS NE2 1 1 9 4243 1 1 5 HIS O O -25.188 -1.545 3.738 1.00 . A A . 5 HIS O 1 1 9 4244 1 1 6 GLY C C -21.211 -1.283 4.769 1.00 . A A . 6 GLY C 1 1 9 4245 1 1 6 GLY CA C -22.532 -1.869 4.352 1.00 . A A . 6 GLY CA 1 1 9 4246 1 1 6 GLY H H -22.412 -0.782 2.551 1.00 . A A . 6 GLY H 1 1 9 4247 1 1 6 GLY HA2 H -23.239 -1.770 5.163 1.00 . A A . 6 GLY HA2 1 1 9 4248 1 1 6 GLY HA3 H -22.397 -2.915 4.121 1.00 . A A . 6 GLY HA3 1 1 9 4249 1 1 6 GLY N N -23.042 -1.187 3.189 1.00 . A A . 6 GLY N 1 1 9 4250 1 1 6 GLY O O -20.404 -1.940 5.431 1.00 . A A . 6 GLY O 1 1 9 4251 1 1 7 LYS C C -18.580 -0.139 4.135 1.00 . A A . 7 LYS C 1 1 9 4252 1 1 7 LYS CA C -19.774 0.686 4.605 1.00 . A A . 7 LYS CA 1 1 9 4253 1 1 7 LYS CB C -19.641 1.046 6.076 1.00 . A A . 7 LYS CB 1 1 9 4254 1 1 7 LYS CD C -21.248 3.001 6.074 1.00 . A A . 7 LYS CD 1 1 9 4255 1 1 7 LYS CE C -20.501 4.149 6.742 1.00 . A A . 7 LYS CE 1 1 9 4256 1 1 7 LYS CG C -20.899 1.654 6.687 1.00 . A A . 7 LYS CG 1 1 9 4257 1 1 7 LYS H H -21.737 0.458 3.953 1.00 . A A . 7 LYS H 1 1 9 4258 1 1 7 LYS HA H -19.810 1.597 4.024 1.00 . A A . 7 LYS HA 1 1 9 4259 1 1 7 LYS HB2 H -19.379 0.164 6.636 1.00 . A A . 7 LYS HB2 1 1 9 4260 1 1 7 LYS HB3 H -18.860 1.761 6.159 1.00 . A A . 7 LYS HB3 1 1 9 4261 1 1 7 LYS HD2 H -20.988 2.985 5.026 1.00 . A A . 7 LYS HD2 1 1 9 4262 1 1 7 LYS HD3 H -22.310 3.166 6.179 1.00 . A A . 7 LYS HD3 1 1 9 4263 1 1 7 LYS HE2 H -20.837 5.078 6.306 1.00 . A A . 7 LYS HE2 1 1 9 4264 1 1 7 LYS HE3 H -20.741 4.144 7.795 1.00 . A A . 7 LYS HE3 1 1 9 4265 1 1 7 LYS HG2 H -21.722 0.978 6.528 1.00 . A A . 7 LYS HG2 1 1 9 4266 1 1 7 LYS HG3 H -20.742 1.783 7.749 1.00 . A A . 7 LYS HG3 1 1 9 4267 1 1 7 LYS HZ1 H -18.661 3.225 7.102 1.00 . A A . 7 LYS HZ1 1 1 9 4268 1 1 7 LYS HZ2 H -18.567 4.906 6.956 1.00 . A A . 7 LYS HZ2 1 1 9 4269 1 1 7 LYS HZ3 H -18.778 3.951 5.579 1.00 . A A . 7 LYS HZ3 1 1 9 4270 1 1 7 LYS N N -21.011 -0.023 4.381 1.00 . A A . 7 LYS N 1 1 9 4271 1 1 7 LYS NZ N -19.024 4.050 6.582 1.00 . A A . 7 LYS NZ 1 1 9 4272 1 1 7 LYS O O -17.670 -0.434 4.906 1.00 . A A . 7 LYS O 1 1 9 4273 1 1 8 ASN C C -16.815 -0.549 1.195 1.00 . A A . 8 ASN C 1 1 9 4274 1 1 8 ASN CA C -17.542 -1.329 2.282 1.00 . A A . 8 ASN CA 1 1 9 4275 1 1 8 ASN CB C -18.116 -2.628 1.701 1.00 . A A . 8 ASN CB 1 1 9 4276 1 1 8 ASN CG C -18.582 -3.595 2.774 1.00 . A A . 8 ASN CG 1 1 9 4277 1 1 8 ASN H H -19.367 -0.262 2.307 1.00 . A A . 8 ASN H 1 1 9 4278 1 1 8 ASN HA H -16.840 -1.573 3.065 1.00 . A A . 8 ASN HA 1 1 9 4279 1 1 8 ASN HB2 H -18.961 -2.388 1.071 1.00 . A A . 8 ASN HB2 1 1 9 4280 1 1 8 ASN HB3 H -17.357 -3.115 1.107 1.00 . A A . 8 ASN HB3 1 1 9 4281 1 1 8 ASN HD21 H -19.951 -4.980 3.167 1.00 . A A . 8 ASN HD21 1 1 9 4282 1 1 8 ASN HD22 H -20.050 -4.247 1.604 1.00 . A A . 8 ASN HD22 1 1 9 4283 1 1 8 ASN N N -18.605 -0.522 2.868 1.00 . A A . 8 ASN N 1 1 9 4284 1 1 8 ASN ND2 N -19.632 -4.349 2.486 1.00 . A A . 8 ASN ND2 1 1 9 4285 1 1 8 ASN O O -15.957 -1.085 0.496 1.00 . A A . 8 ASN O 1 1 9 4286 1 1 8 ASN OD1 O -18.005 -3.660 3.858 1.00 . A A . 8 ASN OD1 1 1 9 4287 1 1 9 SER C C -15.103 1.804 0.227 1.00 . A A . 9 SER C 1 1 9 4288 1 1 9 SER CA C -16.595 1.572 0.029 1.00 . A A . 9 SER CA 1 1 9 4289 1 1 9 SER CB C -17.343 2.903 -0.010 1.00 . A A . 9 SER CB 1 1 9 4290 1 1 9 SER H H -17.787 1.117 1.710 1.00 . A A . 9 SER H 1 1 9 4291 1 1 9 SER HA H -16.734 1.064 -0.904 1.00 . A A . 9 SER HA 1 1 9 4292 1 1 9 SER HB2 H -16.843 3.576 -0.692 1.00 . A A . 9 SER HB2 1 1 9 4293 1 1 9 SER HB3 H -18.356 2.736 -0.345 1.00 . A A . 9 SER HB3 1 1 9 4294 1 1 9 SER HG H -16.702 4.187 1.329 1.00 . A A . 9 SER HG 1 1 9 4295 1 1 9 SER N N -17.150 0.729 1.076 1.00 . A A . 9 SER N 1 1 9 4296 1 1 9 SER O O -14.354 1.985 -0.736 1.00 . A A . 9 SER O 1 1 9 4297 1 1 9 SER OG O -17.378 3.496 1.279 1.00 . A A . 9 SER OG 1 1 9 4298 1 1 10 TRP C C -12.420 0.831 1.320 1.00 . A A . 10 TRP C 1 1 9 4299 1 1 10 TRP CA C -13.275 1.993 1.801 1.00 . A A . 10 TRP CA 1 1 9 4300 1 1 10 TRP CB C -13.065 2.114 3.301 1.00 . A A . 10 TRP CB 1 1 9 4301 1 1 10 TRP CD1 C -14.828 0.634 4.413 1.00 . A A . 10 TRP CD1 1 1 9 4302 1 1 10 TRP CD2 C -12.757 -0.136 4.401 1.00 . A A . 10 TRP CD2 1 1 9 4303 1 1 10 TRP CE2 C -13.547 -1.079 5.049 1.00 . A A . 10 TRP CE2 1 1 9 4304 1 1 10 TRP CE3 C -11.417 -0.358 4.237 1.00 . A A . 10 TRP CE3 1 1 9 4305 1 1 10 TRP CG C -13.563 0.932 4.025 1.00 . A A . 10 TRP CG 1 1 9 4306 1 1 10 TRP CH2 C -11.658 -2.449 5.369 1.00 . A A . 10 TRP CH2 1 1 9 4307 1 1 10 TRP CZ2 C -13.003 -2.257 5.545 1.00 . A A . 10 TRP CZ2 1 1 9 4308 1 1 10 TRP CZ3 C -10.876 -1.500 4.717 1.00 . A A . 10 TRP CZ3 1 1 9 4309 1 1 10 TRP H H -15.316 1.639 2.200 1.00 . A A . 10 TRP H 1 1 9 4310 1 1 10 TRP HA H -12.946 2.901 1.322 1.00 . A A . 10 TRP HA 1 1 9 4311 1 1 10 TRP HB2 H -12.005 2.183 3.493 1.00 . A A . 10 TRP HB2 1 1 9 4312 1 1 10 TRP HB3 H -13.531 2.973 3.690 1.00 . A A . 10 TRP HB3 1 1 9 4313 1 1 10 TRP HD1 H -15.683 1.272 4.237 1.00 . A A . 10 TRP HD1 1 1 9 4314 1 1 10 TRP HE1 H -15.620 -1.034 5.439 1.00 . A A . 10 TRP HE1 1 1 9 4315 1 1 10 TRP HE3 H -10.803 0.359 3.713 1.00 . A A . 10 TRP HE3 1 1 9 4316 1 1 10 TRP HH2 H -11.186 -3.340 5.732 1.00 . A A . 10 TRP HH2 1 1 9 4317 1 1 10 TRP HZ2 H -13.597 -2.997 6.039 1.00 . A A . 10 TRP HZ2 1 1 9 4318 1 1 10 TRP HZ3 H -9.830 -1.664 4.592 1.00 . A A . 10 TRP HZ3 1 1 9 4319 1 1 10 TRP N N -14.674 1.787 1.477 1.00 . A A . 10 TRP N 1 1 9 4320 1 1 10 TRP NE1 N -14.832 -0.589 5.050 1.00 . A A . 10 TRP NE1 1 1 9 4321 1 1 10 TRP O O -11.272 1.008 1.004 1.00 . A A . 10 TRP O 1 1 9 4322 1 1 11 LYS C C -11.433 -1.415 -0.305 1.00 . A A . 11 LYS C 1 1 9 4323 1 1 11 LYS CA C -12.163 -1.553 1.017 1.00 . A A . 11 LYS CA 1 1 9 4324 1 1 11 LYS CB C -13.063 -2.761 0.962 1.00 . A A . 11 LYS CB 1 1 9 4325 1 1 11 LYS CD C -14.606 -4.298 2.202 1.00 . A A . 11 LYS CD 1 1 9 4326 1 1 11 LYS CE C -13.622 -5.425 1.979 1.00 . A A . 11 LYS CE 1 1 9 4327 1 1 11 LYS CG C -13.882 -2.969 2.222 1.00 . A A . 11 LYS CG 1 1 9 4328 1 1 11 LYS H H -13.927 -0.459 1.468 1.00 . A A . 11 LYS H 1 1 9 4329 1 1 11 LYS HA H -11.436 -1.677 1.814 1.00 . A A . 11 LYS HA 1 1 9 4330 1 1 11 LYS HB2 H -13.740 -2.657 0.128 1.00 . A A . 11 LYS HB2 1 1 9 4331 1 1 11 LYS HB3 H -12.448 -3.616 0.806 1.00 . A A . 11 LYS HB3 1 1 9 4332 1 1 11 LYS HD2 H -15.107 -4.445 3.147 1.00 . A A . 11 LYS HD2 1 1 9 4333 1 1 11 LYS HD3 H -15.330 -4.295 1.399 1.00 . A A . 11 LYS HD3 1 1 9 4334 1 1 11 LYS HE2 H -13.240 -5.345 0.967 1.00 . A A . 11 LYS HE2 1 1 9 4335 1 1 11 LYS HE3 H -12.810 -5.309 2.682 1.00 . A A . 11 LYS HE3 1 1 9 4336 1 1 11 LYS HG2 H -13.224 -2.943 3.078 1.00 . A A . 11 LYS HG2 1 1 9 4337 1 1 11 LYS HG3 H -14.610 -2.174 2.303 1.00 . A A . 11 LYS HG3 1 1 9 4338 1 1 11 LYS HZ1 H -14.633 -6.848 3.120 1.00 . A A . 11 LYS HZ1 1 1 9 4339 1 1 11 LYS HZ2 H -13.534 -7.507 2.019 1.00 . A A . 11 LYS HZ2 1 1 9 4340 1 1 11 LYS HZ3 H -15.012 -6.898 1.473 1.00 . A A . 11 LYS HZ3 1 1 9 4341 1 1 11 LYS N N -12.966 -0.364 1.296 1.00 . A A . 11 LYS N 1 1 9 4342 1 1 11 LYS NZ N -14.244 -6.761 2.160 1.00 . A A . 11 LYS NZ 1 1 9 4343 1 1 11 LYS O O -10.256 -1.744 -0.439 1.00 . A A . 11 LYS O 1 1 9 4344 1 1 12 THR C C -10.605 0.478 -2.572 1.00 . A A . 12 THR C 1 1 9 4345 1 1 12 THR CA C -11.676 -0.623 -2.587 1.00 . A A . 12 THR CA 1 1 9 4346 1 1 12 THR CB C -12.913 -0.233 -3.399 1.00 . A A . 12 THR CB 1 1 9 4347 1 1 12 THR CG2 C -12.704 0.992 -4.281 1.00 . A A . 12 THR CG2 1 1 9 4348 1 1 12 THR H H -13.085 -0.655 -1.044 1.00 . A A . 12 THR H 1 1 9 4349 1 1 12 THR HA H -11.262 -1.530 -2.996 1.00 . A A . 12 THR HA 1 1 9 4350 1 1 12 THR HB H -13.681 -0.010 -2.666 1.00 . A A . 12 THR HB 1 1 9 4351 1 1 12 THR HG1 H -12.680 -2.036 -4.165 1.00 . A A . 12 THR HG1 1 1 9 4352 1 1 12 THR HG21 H -11.913 0.797 -4.989 1.00 . A A . 12 THR HG21 1 1 9 4353 1 1 12 THR HG22 H -12.435 1.836 -3.662 1.00 . A A . 12 THR HG22 1 1 9 4354 1 1 12 THR HG23 H -13.619 1.213 -4.810 1.00 . A A . 12 THR HG23 1 1 9 4355 1 1 12 THR N N -12.158 -0.891 -1.253 1.00 . A A . 12 THR N 1 1 9 4356 1 1 12 THR O O -9.737 0.556 -3.443 1.00 . A A . 12 THR O 1 1 9 4357 1 1 12 THR OG1 O -13.354 -1.346 -4.184 1.00 . A A . 12 THR OG1 1 1 9 4358 1 1 13 LEU C C -8.507 1.781 -0.548 1.00 . A A . 13 LEU C 1 1 9 4359 1 1 13 LEU CA C -9.702 2.350 -1.285 1.00 . A A . 13 LEU CA 1 1 9 4360 1 1 13 LEU CB C -10.371 3.425 -0.410 1.00 . A A . 13 LEU CB 1 1 9 4361 1 1 13 LEU CD1 C -9.403 5.369 0.872 1.00 . A A . 13 LEU CD1 1 1 9 4362 1 1 13 LEU CD2 C -10.263 3.386 2.134 1.00 . A A . 13 LEU CD2 1 1 9 4363 1 1 13 LEU CG C -9.581 3.860 0.844 1.00 . A A . 13 LEU CG 1 1 9 4364 1 1 13 LEU H H -11.416 1.192 -0.911 1.00 . A A . 13 LEU H 1 1 9 4365 1 1 13 LEU HA H -9.383 2.776 -2.224 1.00 . A A . 13 LEU HA 1 1 9 4366 1 1 13 LEU HB2 H -10.556 4.294 -1.016 1.00 . A A . 13 LEU HB2 1 1 9 4367 1 1 13 LEU HB3 H -11.323 3.024 -0.078 1.00 . A A . 13 LEU HB3 1 1 9 4368 1 1 13 LEU HD11 H -8.866 5.683 -0.011 1.00 . A A . 13 LEU HD11 1 1 9 4369 1 1 13 LEU HD12 H -8.844 5.650 1.752 1.00 . A A . 13 LEU HD12 1 1 9 4370 1 1 13 LEU HD13 H -10.372 5.847 0.893 1.00 . A A . 13 LEU HD13 1 1 9 4371 1 1 13 LEU HD21 H -11.236 3.848 2.225 1.00 . A A . 13 LEU HD21 1 1 9 4372 1 1 13 LEU HD22 H -9.658 3.649 2.987 1.00 . A A . 13 LEU HD22 1 1 9 4373 1 1 13 LEU HD23 H -10.389 2.302 2.108 1.00 . A A . 13 LEU HD23 1 1 9 4374 1 1 13 LEU HG H -8.605 3.410 0.807 1.00 . A A . 13 LEU HG 1 1 9 4375 1 1 13 LEU N N -10.676 1.301 -1.544 1.00 . A A . 13 LEU N 1 1 9 4376 1 1 13 LEU O O -7.360 2.148 -0.780 1.00 . A A . 13 LEU O 1 1 9 4377 1 1 14 TYR C C -6.984 -0.692 0.805 1.00 . A A . 14 TYR C 1 1 9 4378 1 1 14 TYR CA C -7.889 0.403 1.327 1.00 . A A . 14 TYR CA 1 1 9 4379 1 1 14 TYR CB C -8.682 -0.072 2.529 1.00 . A A . 14 TYR CB 1 1 9 4380 1 1 14 TYR CD1 C -7.384 -1.908 3.604 1.00 . A A . 14 TYR CD1 1 1 9 4381 1 1 14 TYR CD2 C -7.442 0.220 4.665 1.00 . A A . 14 TYR CD2 1 1 9 4382 1 1 14 TYR CE1 C -6.562 -2.393 4.586 1.00 . A A . 14 TYR CE1 1 1 9 4383 1 1 14 TYR CE2 C -6.620 -0.251 5.665 1.00 . A A . 14 TYR CE2 1 1 9 4384 1 1 14 TYR CG C -7.828 -0.601 3.629 1.00 . A A . 14 TYR CG 1 1 9 4385 1 1 14 TYR CZ C -6.175 -1.562 5.621 1.00 . A A . 14 TYR CZ 1 1 9 4386 1 1 14 TYR H H -9.717 0.476 0.313 1.00 . A A . 14 TYR H 1 1 9 4387 1 1 14 TYR HA H -7.285 1.245 1.624 1.00 . A A . 14 TYR HA 1 1 9 4388 1 1 14 TYR HB2 H -9.238 0.761 2.920 1.00 . A A . 14 TYR HB2 1 1 9 4389 1 1 14 TYR HB3 H -9.365 -0.852 2.225 1.00 . A A . 14 TYR HB3 1 1 9 4390 1 1 14 TYR HD1 H -7.695 -2.550 2.792 1.00 . A A . 14 TYR HD1 1 1 9 4391 1 1 14 TYR HD2 H -7.814 1.241 4.695 1.00 . A A . 14 TYR HD2 1 1 9 4392 1 1 14 TYR HE1 H -6.225 -3.416 4.538 1.00 . A A . 14 TYR HE1 1 1 9 4393 1 1 14 TYR HE2 H -6.318 0.407 6.463 1.00 . A A . 14 TYR HE2 1 1 9 4394 1 1 14 TYR HH H -4.591 -2.489 6.206 1.00 . A A . 14 TYR HH 1 1 9 4395 1 1 14 TYR N N -8.811 0.858 0.330 1.00 . A A . 14 TYR N 1 1 9 4396 1 1 14 TYR O O -5.810 -0.739 1.140 1.00 . A A . 14 TYR O 1 1 9 4397 1 1 14 TYR OH O -5.346 -2.041 6.613 1.00 . A A . 14 TYR OH 1 1 9 4398 1 1 15 LEU C C -5.866 -2.011 -1.715 1.00 . A A . 15 LEU C 1 1 9 4399 1 1 15 LEU CA C -6.715 -2.618 -0.611 1.00 . A A . 15 LEU CA 1 1 9 4400 1 1 15 LEU CB C -7.601 -3.735 -1.142 1.00 . A A . 15 LEU CB 1 1 9 4401 1 1 15 LEU CD1 C -9.547 -5.267 -0.782 1.00 . A A . 15 LEU CD1 1 1 9 4402 1 1 15 LEU CD2 C -7.802 -5.024 0.992 1.00 . A A . 15 LEU CD2 1 1 9 4403 1 1 15 LEU CG C -8.569 -4.315 -0.116 1.00 . A A . 15 LEU CG 1 1 9 4404 1 1 15 LEU H H -8.468 -1.501 -0.249 1.00 . A A . 15 LEU H 1 1 9 4405 1 1 15 LEU HA H -6.068 -3.011 0.157 1.00 . A A . 15 LEU HA 1 1 9 4406 1 1 15 LEU HB2 H -8.165 -3.362 -1.983 1.00 . A A . 15 LEU HB2 1 1 9 4407 1 1 15 LEU HB3 H -6.960 -4.527 -1.476 1.00 . A A . 15 LEU HB3 1 1 9 4408 1 1 15 LEU HD11 H -9.004 -6.082 -1.238 1.00 . A A . 15 LEU HD11 1 1 9 4409 1 1 15 LEU HD12 H -10.105 -4.738 -1.542 1.00 . A A . 15 LEU HD12 1 1 9 4410 1 1 15 LEU HD13 H -10.230 -5.659 -0.043 1.00 . A A . 15 LEU HD13 1 1 9 4411 1 1 15 LEU HD21 H -8.500 -5.418 1.716 1.00 . A A . 15 LEU HD21 1 1 9 4412 1 1 15 LEU HD22 H -7.139 -4.323 1.473 1.00 . A A . 15 LEU HD22 1 1 9 4413 1 1 15 LEU HD23 H -7.225 -5.832 0.568 1.00 . A A . 15 LEU HD23 1 1 9 4414 1 1 15 LEU HG H -9.129 -3.508 0.331 1.00 . A A . 15 LEU HG 1 1 9 4415 1 1 15 LEU N N -7.519 -1.566 -0.022 1.00 . A A . 15 LEU N 1 1 9 4416 1 1 15 LEU O O -4.913 -2.614 -2.211 1.00 . A A . 15 LEU O 1 1 9 4417 1 1 16 LYS C C -4.345 0.655 -2.083 1.00 . A A . 16 LYS C 1 1 9 4418 1 1 16 LYS CA C -5.463 0.055 -2.934 1.00 . A A . 16 LYS CA 1 1 9 4419 1 1 16 LYS CB C -6.394 1.133 -3.517 1.00 . A A . 16 LYS CB 1 1 9 4420 1 1 16 LYS CD C -5.259 3.335 -3.255 1.00 . A A . 16 LYS CD 1 1 9 4421 1 1 16 LYS CE C -4.810 4.605 -3.960 1.00 . A A . 16 LYS CE 1 1 9 4422 1 1 16 LYS CG C -5.705 2.272 -4.239 1.00 . A A . 16 LYS CG 1 1 9 4423 1 1 16 LYS H H -7.104 -0.455 -1.750 1.00 . A A . 16 LYS H 1 1 9 4424 1 1 16 LYS HA H -5.039 -0.539 -3.731 1.00 . A A . 16 LYS HA 1 1 9 4425 1 1 16 LYS HB2 H -7.083 0.668 -4.204 1.00 . A A . 16 LYS HB2 1 1 9 4426 1 1 16 LYS HB3 H -6.966 1.556 -2.703 1.00 . A A . 16 LYS HB3 1 1 9 4427 1 1 16 LYS HD2 H -6.086 3.562 -2.597 1.00 . A A . 16 LYS HD2 1 1 9 4428 1 1 16 LYS HD3 H -4.438 2.939 -2.671 1.00 . A A . 16 LYS HD3 1 1 9 4429 1 1 16 LYS HE2 H -4.442 5.301 -3.222 1.00 . A A . 16 LYS HE2 1 1 9 4430 1 1 16 LYS HE3 H -4.014 4.356 -4.646 1.00 . A A . 16 LYS HE3 1 1 9 4431 1 1 16 LYS HG2 H -4.842 1.888 -4.763 1.00 . A A . 16 LYS HG2 1 1 9 4432 1 1 16 LYS HG3 H -6.395 2.710 -4.943 1.00 . A A . 16 LYS HG3 1 1 9 4433 1 1 16 LYS HZ1 H -6.290 4.592 -5.437 1.00 . A A . 16 LYS HZ1 1 1 9 4434 1 1 16 LYS HZ2 H -5.579 6.104 -5.194 1.00 . A A . 16 LYS HZ2 1 1 9 4435 1 1 16 LYS HZ3 H -6.693 5.505 -4.073 1.00 . A A . 16 LYS HZ3 1 1 9 4436 1 1 16 LYS N N -6.251 -0.798 -2.083 1.00 . A A . 16 LYS N 1 1 9 4437 1 1 16 LYS NZ N -5.920 5.244 -4.718 1.00 . A A . 16 LYS NZ 1 1 9 4438 1 1 16 LYS O O -3.192 0.751 -2.510 1.00 . A A . 16 LYS O 1 1 9 4439 1 1 17 ILE C C -2.742 0.477 0.487 1.00 . A A . 17 ILE C 1 1 9 4440 1 1 17 ILE CA C -3.783 1.535 0.132 1.00 . A A . 17 ILE CA 1 1 9 4441 1 1 17 ILE CB C -4.554 1.987 1.397 1.00 . A A . 17 ILE CB 1 1 9 4442 1 1 17 ILE CD1 C -5.965 3.888 2.357 1.00 . A A . 17 ILE CD1 1 1 9 4443 1 1 17 ILE CG1 C -5.131 3.394 1.193 1.00 . A A . 17 ILE CG1 1 1 9 4444 1 1 17 ILE CG2 C -3.685 1.927 2.642 1.00 . A A . 17 ILE CG2 1 1 9 4445 1 1 17 ILE H H -5.655 0.963 -0.606 1.00 . A A . 17 ILE H 1 1 9 4446 1 1 17 ILE HA H -3.290 2.393 -0.290 1.00 . A A . 17 ILE HA 1 1 9 4447 1 1 17 ILE HB H -5.372 1.300 1.542 1.00 . A A . 17 ILE HB 1 1 9 4448 1 1 17 ILE HD11 H -5.356 3.921 3.248 1.00 . A A . 17 ILE HD11 1 1 9 4449 1 1 17 ILE HD12 H -6.798 3.218 2.514 1.00 . A A . 17 ILE HD12 1 1 9 4450 1 1 17 ILE HD13 H -6.336 4.878 2.137 1.00 . A A . 17 ILE HD13 1 1 9 4451 1 1 17 ILE HG12 H -4.318 4.090 1.051 1.00 . A A . 17 ILE HG12 1 1 9 4452 1 1 17 ILE HG13 H -5.756 3.392 0.312 1.00 . A A . 17 ILE HG13 1 1 9 4453 1 1 17 ILE HG21 H -2.895 2.656 2.566 1.00 . A A . 17 ILE HG21 1 1 9 4454 1 1 17 ILE HG22 H -3.258 0.939 2.722 1.00 . A A . 17 ILE HG22 1 1 9 4455 1 1 17 ILE HG23 H -4.290 2.129 3.516 1.00 . A A . 17 ILE HG23 1 1 9 4456 1 1 17 ILE N N -4.712 1.029 -0.857 1.00 . A A . 17 ILE N 1 1 9 4457 1 1 17 ILE O O -1.549 0.761 0.549 1.00 . A A . 17 ILE O 1 1 9 4458 1 1 18 SER C C -1.315 -2.058 -0.114 1.00 . A A . 18 SER C 1 1 9 4459 1 1 18 SER CA C -2.336 -1.874 0.999 1.00 . A A . 18 SER CA 1 1 9 4460 1 1 18 SER CB C -3.170 -3.150 1.131 1.00 . A A . 18 SER CB 1 1 9 4461 1 1 18 SER H H -4.183 -0.895 0.651 1.00 . A A . 18 SER H 1 1 9 4462 1 1 18 SER HA H -1.827 -1.676 1.930 1.00 . A A . 18 SER HA 1 1 9 4463 1 1 18 SER HB2 H -3.496 -3.466 0.146 1.00 . A A . 18 SER HB2 1 1 9 4464 1 1 18 SER HB3 H -2.565 -3.927 1.572 1.00 . A A . 18 SER HB3 1 1 9 4465 1 1 18 SER HG H -4.038 -2.497 2.764 1.00 . A A . 18 SER HG 1 1 9 4466 1 1 18 SER N N -3.210 -0.747 0.696 1.00 . A A . 18 SER N 1 1 9 4467 1 1 18 SER O O -0.135 -2.297 0.129 1.00 . A A . 18 SER O 1 1 9 4468 1 1 18 SER OG O -4.307 -2.941 1.949 1.00 . A A . 18 SER OG 1 1 9 4469 1 1 19 PHE C C 0.117 -1.101 -2.652 1.00 . A A . 19 PHE C 1 1 9 4470 1 1 19 PHE CA C -1.000 -2.133 -2.529 1.00 . A A . 19 PHE CA 1 1 9 4471 1 1 19 PHE CB C -1.919 -2.069 -3.747 1.00 . A A . 19 PHE CB 1 1 9 4472 1 1 19 PHE CD1 C -1.214 -3.731 -5.459 1.00 . A A . 19 PHE CD1 1 1 9 4473 1 1 19 PHE CD2 C -0.663 -1.439 -5.812 1.00 . A A . 19 PHE CD2 1 1 9 4474 1 1 19 PHE CE1 C -0.600 -4.067 -6.648 1.00 . A A . 19 PHE CE1 1 1 9 4475 1 1 19 PHE CE2 C -0.046 -1.765 -7.004 1.00 . A A . 19 PHE CE2 1 1 9 4476 1 1 19 PHE CG C -1.248 -2.419 -5.032 1.00 . A A . 19 PHE CG 1 1 9 4477 1 1 19 PHE CZ C -0.016 -3.082 -7.424 1.00 . A A . 19 PHE CZ 1 1 9 4478 1 1 19 PHE H H -2.730 -1.628 -1.443 1.00 . A A . 19 PHE H 1 1 9 4479 1 1 19 PHE HA H -0.561 -3.120 -2.463 1.00 . A A . 19 PHE HA 1 1 9 4480 1 1 19 PHE HB2 H -2.738 -2.756 -3.606 1.00 . A A . 19 PHE HB2 1 1 9 4481 1 1 19 PHE HB3 H -2.311 -1.065 -3.839 1.00 . A A . 19 PHE HB3 1 1 9 4482 1 1 19 PHE HD1 H -1.672 -4.496 -4.848 1.00 . A A . 19 PHE HD1 1 1 9 4483 1 1 19 PHE HD2 H -0.688 -0.407 -5.477 1.00 . A A . 19 PHE HD2 1 1 9 4484 1 1 19 PHE HE1 H -0.578 -5.096 -6.974 1.00 . A A . 19 PHE HE1 1 1 9 4485 1 1 19 PHE HE2 H 0.410 -0.995 -7.606 1.00 . A A . 19 PHE HE2 1 1 9 4486 1 1 19 PHE HZ H 0.464 -3.341 -8.355 1.00 . A A . 19 PHE HZ 1 1 9 4487 1 1 19 PHE N N -1.798 -1.909 -1.338 1.00 . A A . 19 PHE N 1 1 9 4488 1 1 19 PHE O O 1.289 -1.452 -2.814 1.00 . A A . 19 PHE O 1 1 9 4489 1 1 20 LEU C C 1.570 1.322 -1.411 1.00 . A A . 20 LEU C 1 1 9 4490 1 1 20 LEU CA C 0.733 1.244 -2.677 1.00 . A A . 20 LEU CA 1 1 9 4491 1 1 20 LEU CB C 0.028 2.571 -2.948 1.00 . A A . 20 LEU CB 1 1 9 4492 1 1 20 LEU CD1 C -1.345 4.003 -4.479 1.00 . A A . 20 LEU CD1 1 1 9 4493 1 1 20 LEU CD2 C 0.080 2.175 -5.412 1.00 . A A . 20 LEU CD2 1 1 9 4494 1 1 20 LEU CG C -0.779 2.614 -4.242 1.00 . A A . 20 LEU CG 1 1 9 4495 1 1 20 LEU H H -1.193 0.392 -2.440 1.00 . A A . 20 LEU H 1 1 9 4496 1 1 20 LEU HA H 1.385 1.020 -3.507 1.00 . A A . 20 LEU HA 1 1 9 4497 1 1 20 LEU HB2 H -0.640 2.771 -2.125 1.00 . A A . 20 LEU HB2 1 1 9 4498 1 1 20 LEU HB3 H 0.773 3.349 -2.989 1.00 . A A . 20 LEU HB3 1 1 9 4499 1 1 20 LEU HD11 H -1.903 4.013 -5.403 1.00 . A A . 20 LEU HD11 1 1 9 4500 1 1 20 LEU HD12 H -0.534 4.716 -4.541 1.00 . A A . 20 LEU HD12 1 1 9 4501 1 1 20 LEU HD13 H -1.996 4.272 -3.660 1.00 . A A . 20 LEU HD13 1 1 9 4502 1 1 20 LEU HD21 H 0.459 1.182 -5.222 1.00 . A A . 20 LEU HD21 1 1 9 4503 1 1 20 LEU HD22 H 0.905 2.860 -5.527 1.00 . A A . 20 LEU HD22 1 1 9 4504 1 1 20 LEU HD23 H -0.514 2.169 -6.314 1.00 . A A . 20 LEU HD23 1 1 9 4505 1 1 20 LEU HG H -1.609 1.925 -4.162 1.00 . A A . 20 LEU HG 1 1 9 4506 1 1 20 LEU N N -0.243 0.169 -2.572 1.00 . A A . 20 LEU N 1 1 9 4507 1 1 20 LEU O O 2.717 1.772 -1.430 1.00 . A A . 20 LEU O 1 1 9 4508 1 1 21 GLY C C 2.804 -0.292 0.874 1.00 . A A . 21 GLY C 1 1 9 4509 1 1 21 GLY CA C 1.714 0.759 0.937 1.00 . A A . 21 GLY CA 1 1 9 4510 1 1 21 GLY H H 0.046 0.593 -0.355 1.00 . A A . 21 GLY H 1 1 9 4511 1 1 21 GLY HA2 H 2.161 1.716 1.162 1.00 . A A . 21 GLY HA2 1 1 9 4512 1 1 21 GLY HA3 H 1.019 0.499 1.723 1.00 . A A . 21 GLY HA3 1 1 9 4513 1 1 21 GLY N N 0.992 0.858 -0.315 1.00 . A A . 21 GLY N 1 1 9 4514 1 1 21 GLY O O 3.752 -0.262 1.654 1.00 . A A . 21 GLY O 1 1 9 4515 1 1 22 CYS C C 4.838 -1.643 -1.102 1.00 . A A . 22 CYS C 1 1 9 4516 1 1 22 CYS CA C 3.676 -2.240 -0.309 1.00 . A A . 22 CYS CA 1 1 9 4517 1 1 22 CYS CB C 3.064 -3.422 -1.064 1.00 . A A . 22 CYS CB 1 1 9 4518 1 1 22 CYS H H 1.829 -1.256 -0.571 1.00 . A A . 22 CYS H 1 1 9 4519 1 1 22 CYS HA H 4.046 -2.586 0.645 1.00 . A A . 22 CYS HA 1 1 9 4520 1 1 22 CYS HB2 H 2.538 -3.050 -1.931 1.00 . A A . 22 CYS HB2 1 1 9 4521 1 1 22 CYS HB3 H 3.847 -4.086 -1.386 1.00 . A A . 22 CYS HB3 1 1 9 4522 1 1 22 CYS HG H 0.830 -3.619 0.146 1.00 . A A . 22 CYS HG 1 1 9 4523 1 1 22 CYS N N 2.658 -1.231 -0.052 1.00 . A A . 22 CYS N 1 1 9 4524 1 1 22 CYS O O 5.940 -2.182 -1.107 1.00 . A A . 22 CYS O 1 1 9 4525 1 1 22 CYS SG S 1.890 -4.385 -0.088 1.00 . A A . 22 CYS SG 1 1 9 4526 1 1 23 LYS C C 6.269 1.228 -1.574 1.00 . A A . 23 LYS C 1 1 9 4527 1 1 23 LYS CA C 5.647 0.184 -2.479 1.00 . A A . 23 LYS CA 1 1 9 4528 1 1 23 LYS CB C 5.115 0.835 -3.757 1.00 . A A . 23 LYS CB 1 1 9 4529 1 1 23 LYS CD C 5.873 -1.019 -5.274 1.00 . A A . 23 LYS CD 1 1 9 4530 1 1 23 LYS CE C 5.466 -2.001 -6.360 1.00 . A A . 23 LYS CE 1 1 9 4531 1 1 23 LYS CG C 4.698 -0.166 -4.822 1.00 . A A . 23 LYS CG 1 1 9 4532 1 1 23 LYS H H 3.672 -0.183 -1.807 1.00 . A A . 23 LYS H 1 1 9 4533 1 1 23 LYS HA H 6.408 -0.528 -2.737 1.00 . A A . 23 LYS HA 1 1 9 4534 1 1 23 LYS HB2 H 4.257 1.443 -3.508 1.00 . A A . 23 LYS HB2 1 1 9 4535 1 1 23 LYS HB3 H 5.885 1.469 -4.171 1.00 . A A . 23 LYS HB3 1 1 9 4536 1 1 23 LYS HD2 H 6.646 -0.372 -5.661 1.00 . A A . 23 LYS HD2 1 1 9 4537 1 1 23 LYS HD3 H 6.254 -1.571 -4.428 1.00 . A A . 23 LYS HD3 1 1 9 4538 1 1 23 LYS HE2 H 6.317 -2.619 -6.606 1.00 . A A . 23 LYS HE2 1 1 9 4539 1 1 23 LYS HE3 H 4.672 -2.621 -5.981 1.00 . A A . 23 LYS HE3 1 1 9 4540 1 1 23 LYS HG2 H 3.934 -0.810 -4.414 1.00 . A A . 23 LYS HG2 1 1 9 4541 1 1 23 LYS HG3 H 4.303 0.371 -5.671 1.00 . A A . 23 LYS HG3 1 1 9 4542 1 1 23 LYS HZ1 H 4.688 -2.007 -8.297 1.00 . A A . 23 LYS HZ1 1 1 9 4543 1 1 23 LYS HZ2 H 5.770 -0.744 -8.000 1.00 . A A . 23 LYS HZ2 1 1 9 4544 1 1 23 LYS HZ3 H 4.202 -0.680 -7.371 1.00 . A A . 23 LYS HZ3 1 1 9 4545 1 1 23 LYS N N 4.588 -0.531 -1.778 1.00 . A A . 23 LYS N 1 1 9 4546 1 1 23 LYS NZ N 4.999 -1.311 -7.592 1.00 . A A . 23 LYS NZ 1 1 9 4547 1 1 23 LYS O O 7.487 1.401 -1.538 1.00 . A A . 23 LYS O 1 1 9 4548 1 1 24 VAL C C 6.220 2.352 1.459 1.00 . A A . 24 VAL C 1 1 9 4549 1 1 24 VAL CA C 5.876 2.944 0.079 1.00 . A A . 24 VAL CA 1 1 9 4550 1 1 24 VAL CB C 4.819 4.067 0.150 1.00 . A A . 24 VAL CB 1 1 9 4551 1 1 24 VAL CG1 C 5.226 5.200 1.070 1.00 . A A . 24 VAL CG1 1 1 9 4552 1 1 24 VAL CG2 C 4.559 4.600 -1.249 1.00 . A A . 24 VAL CG2 1 1 9 4553 1 1 24 VAL H H 4.465 1.715 -0.882 1.00 . A A . 24 VAL H 1 1 9 4554 1 1 24 VAL HA H 6.784 3.364 -0.347 1.00 . A A . 24 VAL HA 1 1 9 4555 1 1 24 VAL HB H 3.912 3.649 0.517 1.00 . A A . 24 VAL HB 1 1 9 4556 1 1 24 VAL HG11 H 5.501 4.793 2.030 1.00 . A A . 24 VAL HG11 1 1 9 4557 1 1 24 VAL HG12 H 4.398 5.880 1.188 1.00 . A A . 24 VAL HG12 1 1 9 4558 1 1 24 VAL HG13 H 6.063 5.720 0.644 1.00 . A A . 24 VAL HG13 1 1 9 4559 1 1 24 VAL HG21 H 3.888 5.443 -1.197 1.00 . A A . 24 VAL HG21 1 1 9 4560 1 1 24 VAL HG22 H 4.115 3.820 -1.855 1.00 . A A . 24 VAL HG22 1 1 9 4561 1 1 24 VAL HG23 H 5.498 4.909 -1.692 1.00 . A A . 24 VAL HG23 1 1 9 4562 1 1 24 VAL N N 5.428 1.904 -0.819 1.00 . A A . 24 VAL N 1 1 9 4563 1 1 24 VAL O O 6.339 3.047 2.466 1.00 . A A . 24 VAL O 1 1 9 4564 1 1 25 VAL C C 8.504 0.230 2.276 1.00 . A A . 25 VAL C 1 1 9 4565 1 1 25 VAL CA C 7.023 0.384 2.615 1.00 . A A . 25 VAL CA 1 1 9 4566 1 1 25 VAL CB C 6.406 -1.001 2.908 1.00 . A A . 25 VAL CB 1 1 9 4567 1 1 25 VAL CG1 C 6.746 -1.994 1.814 1.00 . A A . 25 VAL CG1 1 1 9 4568 1 1 25 VAL CG2 C 6.851 -1.523 4.259 1.00 . A A . 25 VAL CG2 1 1 9 4569 1 1 25 VAL H H 5.999 0.498 0.769 1.00 . A A . 25 VAL H 1 1 9 4570 1 1 25 VAL HA H 6.926 1.010 3.496 1.00 . A A . 25 VAL HA 1 1 9 4571 1 1 25 VAL HB H 5.335 -0.885 2.931 1.00 . A A . 25 VAL HB 1 1 9 4572 1 1 25 VAL HG11 H 7.821 -2.076 1.724 1.00 . A A . 25 VAL HG11 1 1 9 4573 1 1 25 VAL HG12 H 6.337 -1.651 0.876 1.00 . A A . 25 VAL HG12 1 1 9 4574 1 1 25 VAL HG13 H 6.331 -2.961 2.058 1.00 . A A . 25 VAL HG13 1 1 9 4575 1 1 25 VAL HG21 H 6.567 -0.823 5.027 1.00 . A A . 25 VAL HG21 1 1 9 4576 1 1 25 VAL HG22 H 7.923 -1.647 4.261 1.00 . A A . 25 VAL HG22 1 1 9 4577 1 1 25 VAL HG23 H 6.376 -2.475 4.445 1.00 . A A . 25 VAL HG23 1 1 9 4578 1 1 25 VAL N N 6.360 1.042 1.500 1.00 . A A . 25 VAL N 1 1 9 4579 1 1 25 VAL O O 9.368 0.248 3.147 1.00 . A A . 25 VAL O 1 1 9 4580 1 1 26 VAL C C 10.982 1.100 0.634 1.00 . A A . 26 VAL C 1 1 9 4581 1 1 26 VAL CA C 10.104 -0.115 0.458 1.00 . A A . 26 VAL CA 1 1 9 4582 1 1 26 VAL CB C 10.043 -0.453 -1.043 1.00 . A A . 26 VAL CB 1 1 9 4583 1 1 26 VAL CG1 C 11.434 -0.703 -1.601 1.00 . A A . 26 VAL CG1 1 1 9 4584 1 1 26 VAL CG2 C 9.139 -1.649 -1.297 1.00 . A A . 26 VAL CG2 1 1 9 4585 1 1 26 VAL H H 8.032 0.214 0.339 1.00 . A A . 26 VAL H 1 1 9 4586 1 1 26 VAL HA H 10.529 -0.943 0.982 1.00 . A A . 26 VAL HA 1 1 9 4587 1 1 26 VAL HB H 9.621 0.405 -1.552 1.00 . A A . 26 VAL HB 1 1 9 4588 1 1 26 VAL HG11 H 11.898 -1.515 -1.061 1.00 . A A . 26 VAL HG11 1 1 9 4589 1 1 26 VAL HG12 H 12.030 0.189 -1.490 1.00 . A A . 26 VAL HG12 1 1 9 4590 1 1 26 VAL HG13 H 11.361 -0.962 -2.646 1.00 . A A . 26 VAL HG13 1 1 9 4591 1 1 26 VAL HG21 H 9.094 -1.848 -2.357 1.00 . A A . 26 VAL HG21 1 1 9 4592 1 1 26 VAL HG22 H 8.146 -1.436 -0.929 1.00 . A A . 26 VAL HG22 1 1 9 4593 1 1 26 VAL HG23 H 9.534 -2.514 -0.785 1.00 . A A . 26 VAL HG23 1 1 9 4594 1 1 26 VAL N N 8.768 0.124 0.976 1.00 . A A . 26 VAL N 1 1 9 4595 1 1 26 VAL O O 12.078 1.027 1.189 1.00 . A A . 26 VAL O 1 1 9 4596 1 1 27 LEU C C 11.538 3.940 1.570 1.00 . A A . 27 LEU C 1 1 9 4597 1 1 27 LEU CA C 11.200 3.469 0.146 1.00 . A A . 27 LEU CA 1 1 9 4598 1 1 27 LEU CB C 10.406 4.519 -0.666 1.00 . A A . 27 LEU CB 1 1 9 4599 1 1 27 LEU CD1 C 8.158 5.534 -1.070 1.00 . A A . 27 LEU CD1 1 1 9 4600 1 1 27 LEU CD2 C 8.561 4.372 1.071 1.00 . A A . 27 LEU CD2 1 1 9 4601 1 1 27 LEU CG C 9.197 5.211 -0.011 1.00 . A A . 27 LEU CG 1 1 9 4602 1 1 27 LEU H H 9.571 2.185 -0.223 1.00 . A A . 27 LEU H 1 1 9 4603 1 1 27 LEU HA H 12.120 3.279 -0.369 1.00 . A A . 27 LEU HA 1 1 9 4604 1 1 27 LEU HB2 H 11.093 5.290 -0.975 1.00 . A A . 27 LEU HB2 1 1 9 4605 1 1 27 LEU HB3 H 10.041 4.024 -1.556 1.00 . A A . 27 LEU HB3 1 1 9 4606 1 1 27 LEU HD11 H 7.325 6.044 -0.615 1.00 . A A . 27 LEU HD11 1 1 9 4607 1 1 27 LEU HD12 H 7.808 4.611 -1.514 1.00 . A A . 27 LEU HD12 1 1 9 4608 1 1 27 LEU HD13 H 8.598 6.160 -1.830 1.00 . A A . 27 LEU HD13 1 1 9 4609 1 1 27 LEU HD21 H 7.608 4.794 1.345 1.00 . A A . 27 LEU HD21 1 1 9 4610 1 1 27 LEU HD22 H 9.206 4.353 1.938 1.00 . A A . 27 LEU HD22 1 1 9 4611 1 1 27 LEU HD23 H 8.419 3.362 0.710 1.00 . A A . 27 LEU HD23 1 1 9 4612 1 1 27 LEU HG H 9.521 6.142 0.430 1.00 . A A . 27 LEU HG 1 1 9 4613 1 1 27 LEU N N 10.471 2.215 0.157 1.00 . A A . 27 LEU N 1 1 9 4614 1 1 27 LEU O O 12.435 4.756 1.781 1.00 . A A . 27 LEU O 1 1 9 4615 1 1 28 LEU C C 11.764 2.634 4.650 1.00 . A A . 28 LEU C 1 1 9 4616 1 1 28 LEU CA C 10.978 3.734 3.935 1.00 . A A . 28 LEU CA 1 1 9 4617 1 1 28 LEU CB C 9.583 3.943 4.540 1.00 . A A . 28 LEU CB 1 1 9 4618 1 1 28 LEU CD1 C 10.191 4.580 6.896 1.00 . A A . 28 LEU CD1 1 1 9 4619 1 1 28 LEU CD2 C 7.950 3.585 6.389 1.00 . A A . 28 LEU CD2 1 1 9 4620 1 1 28 LEU CG C 9.423 3.602 6.013 1.00 . A A . 28 LEU CG 1 1 9 4621 1 1 28 LEU H H 10.127 2.736 2.302 1.00 . A A . 28 LEU H 1 1 9 4622 1 1 28 LEU HA H 11.532 4.658 3.992 1.00 . A A . 28 LEU HA 1 1 9 4623 1 1 28 LEU HB2 H 9.315 4.981 4.407 1.00 . A A . 28 LEU HB2 1 1 9 4624 1 1 28 LEU HB3 H 8.884 3.341 3.979 1.00 . A A . 28 LEU HB3 1 1 9 4625 1 1 28 LEU HD11 H 11.243 4.532 6.654 1.00 . A A . 28 LEU HD11 1 1 9 4626 1 1 28 LEU HD12 H 10.048 4.318 7.933 1.00 . A A . 28 LEU HD12 1 1 9 4627 1 1 28 LEU HD13 H 9.828 5.582 6.726 1.00 . A A . 28 LEU HD13 1 1 9 4628 1 1 28 LEU HD21 H 7.514 4.553 6.186 1.00 . A A . 28 LEU HD21 1 1 9 4629 1 1 28 LEU HD22 H 7.848 3.360 7.440 1.00 . A A . 28 LEU HD22 1 1 9 4630 1 1 28 LEU HD23 H 7.439 2.831 5.810 1.00 . A A . 28 LEU HD23 1 1 9 4631 1 1 28 LEU HG H 9.817 2.613 6.173 1.00 . A A . 28 LEU HG 1 1 9 4632 1 1 28 LEU N N 10.811 3.397 2.539 1.00 . A A . 28 LEU N 1 1 9 4633 1 1 28 LEU O O 12.464 2.879 5.633 1.00 . A A . 28 LEU O 1 1 9 4634 1 1 29 LYS C C 11.838 -0.106 6.019 1.00 . A A . 29 LYS C 1 1 9 4635 1 1 29 LYS CA C 12.331 0.238 4.616 1.00 . A A . 29 LYS CA 1 1 9 4636 1 1 29 LYS CB C 13.853 0.453 4.594 1.00 . A A . 29 LYS CB 1 1 9 4637 1 1 29 LYS CD C 14.332 -1.836 3.624 1.00 . A A . 29 LYS CD 1 1 9 4638 1 1 29 LYS CE C 14.506 -1.252 2.228 1.00 . A A . 29 LYS CE 1 1 9 4639 1 1 29 LYS CG C 14.672 -0.828 4.717 1.00 . A A . 29 LYS CG 1 1 9 4640 1 1 29 LYS H H 11.058 1.315 3.330 1.00 . A A . 29 LYS H 1 1 9 4641 1 1 29 LYS HA H 12.087 -0.582 3.958 1.00 . A A . 29 LYS HA 1 1 9 4642 1 1 29 LYS HB2 H 14.120 0.934 3.666 1.00 . A A . 29 LYS HB2 1 1 9 4643 1 1 29 LYS HB3 H 14.120 1.104 5.414 1.00 . A A . 29 LYS HB3 1 1 9 4644 1 1 29 LYS HD2 H 14.984 -2.691 3.724 1.00 . A A . 29 LYS HD2 1 1 9 4645 1 1 29 LYS HD3 H 13.307 -2.153 3.746 1.00 . A A . 29 LYS HD3 1 1 9 4646 1 1 29 LYS HE2 H 14.248 -2.009 1.502 1.00 . A A . 29 LYS HE2 1 1 9 4647 1 1 29 LYS HE3 H 13.838 -0.409 2.118 1.00 . A A . 29 LYS HE3 1 1 9 4648 1 1 29 LYS HG2 H 15.719 -0.580 4.648 1.00 . A A . 29 LYS HG2 1 1 9 4649 1 1 29 LYS HG3 H 14.471 -1.276 5.679 1.00 . A A . 29 LYS HG3 1 1 9 4650 1 1 29 LYS HZ1 H 16.558 -1.597 2.085 1.00 . A A . 29 LYS HZ1 1 1 9 4651 1 1 29 LYS HZ2 H 16.164 -0.053 2.651 1.00 . A A . 29 LYS HZ2 1 1 9 4652 1 1 29 LYS HZ3 H 15.984 -0.425 1.011 1.00 . A A . 29 LYS HZ3 1 1 9 4653 1 1 29 LYS N N 11.644 1.421 4.109 1.00 . A A . 29 LYS N 1 1 9 4654 1 1 29 LYS NZ N 15.899 -0.800 1.977 1.00 . A A . 29 LYS NZ 1 1 9 4655 1 1 29 LYS O O 12.592 -0.583 6.868 1.00 . A A . 29 LYS O 1 1 9 4656 1 1 30 ARG C C 8.569 -0.738 7.367 1.00 . A A . 30 ARG C 1 1 9 4657 1 1 30 ARG CA C 9.959 -0.147 7.547 1.00 . A A . 30 ARG CA 1 1 9 4658 1 1 30 ARG CB C 9.901 1.126 8.391 1.00 . A A . 30 ARG CB 1 1 9 4659 1 1 30 ARG CD C 9.403 2.196 10.595 1.00 . A A . 30 ARG CD 1 1 9 4660 1 1 30 ARG CG C 9.372 0.908 9.793 1.00 . A A . 30 ARG CG 1 1 9 4661 1 1 30 ARG CZ C 8.524 3.051 12.733 1.00 . A A . 30 ARG CZ 1 1 9 4662 1 1 30 ARG H H 9.999 0.523 5.540 1.00 . A A . 30 ARG H 1 1 9 4663 1 1 30 ARG HA H 10.583 -0.872 8.047 1.00 . A A . 30 ARG HA 1 1 9 4664 1 1 30 ARG HB2 H 10.895 1.541 8.465 1.00 . A A . 30 ARG HB2 1 1 9 4665 1 1 30 ARG HB3 H 9.260 1.840 7.898 1.00 . A A . 30 ARG HB3 1 1 9 4666 1 1 30 ARG HD2 H 10.430 2.507 10.709 1.00 . A A . 30 ARG HD2 1 1 9 4667 1 1 30 ARG HD3 H 8.857 2.953 10.052 1.00 . A A . 30 ARG HD3 1 1 9 4668 1 1 30 ARG HE H 8.595 1.119 12.210 1.00 . A A . 30 ARG HE 1 1 9 4669 1 1 30 ARG HG2 H 8.354 0.554 9.732 1.00 . A A . 30 ARG HG2 1 1 9 4670 1 1 30 ARG HG3 H 9.985 0.169 10.288 1.00 . A A . 30 ARG HG3 1 1 9 4671 1 1 30 ARG HH11 H 9.215 4.476 11.472 1.00 . A A . 30 ARG HH11 1 1 9 4672 1 1 30 ARG HH12 H 8.590 5.060 12.980 1.00 . A A . 30 ARG HH12 1 1 9 4673 1 1 30 ARG HH21 H 7.743 1.885 14.197 1.00 . A A . 30 ARG HH21 1 1 9 4674 1 1 30 ARG HH22 H 7.743 3.592 14.520 1.00 . A A . 30 ARG HH22 1 1 9 4675 1 1 30 ARG N N 10.558 0.139 6.255 1.00 . A A . 30 ARG N 1 1 9 4676 1 1 30 ARG NE N 8.806 2.036 11.918 1.00 . A A . 30 ARG NE 1 1 9 4677 1 1 30 ARG NH1 N 8.797 4.296 12.365 1.00 . A A . 30 ARG NH1 1 1 9 4678 1 1 30 ARG NH2 N 7.960 2.824 13.911 1.00 . A A . 30 ARG NH2 1 1 9 4679 1 1 30 ARG O O 7.595 0.037 7.262 1.00 . A A . 30 ARG O 1 1 9 4680 1 1 30 ARG OXT O 8.459 -1.980 7.315 1.00 . A A . 30 ARG OXT 1 1 10 4681 1 1 1 MET C C -29.412 -1.543 10.457 1.00 . A A . 1 MET C 1 1 10 4682 1 1 1 MET CA C -30.296 -1.505 11.696 1.00 . A A . 1 MET CA 1 1 10 4683 1 1 1 MET CB C -29.609 -2.224 12.861 1.00 . A A . 1 MET CB 1 1 10 4684 1 1 1 MET CE C -26.289 -1.241 15.188 1.00 . A A . 1 MET CE 1 1 10 4685 1 1 1 MET CG C -28.362 -1.521 13.370 1.00 . A A . 1 MET CG 1 1 10 4686 1 1 1 MET H1 H -31.457 -3.130 11.109 1.00 . A A . 1 MET H1 1 1 10 4687 1 1 1 MET H2 H -32.078 -1.636 10.629 1.00 . A A . 1 MET H2 1 1 10 4688 1 1 1 MET H3 H -32.206 -2.125 12.241 1.00 . A A . 1 MET H3 1 1 10 4689 1 1 1 MET HA H -30.471 -0.475 11.967 1.00 . A A . 1 MET HA 1 1 10 4690 1 1 1 MET HB2 H -30.309 -2.304 13.681 1.00 . A A . 1 MET HB2 1 1 10 4691 1 1 1 MET HB3 H -29.329 -3.216 12.540 1.00 . A A . 1 MET HB3 1 1 10 4692 1 1 1 MET HE1 H -25.616 -1.201 14.345 1.00 . A A . 1 MET HE1 1 1 10 4693 1 1 1 MET HE2 H -25.760 -1.606 16.054 1.00 . A A . 1 MET HE2 1 1 10 4694 1 1 1 MET HE3 H -26.672 -0.253 15.391 1.00 . A A . 1 MET HE3 1 1 10 4695 1 1 1 MET HG2 H -27.626 -1.505 12.582 1.00 . A A . 1 MET HG2 1 1 10 4696 1 1 1 MET HG3 H -28.621 -0.507 13.640 1.00 . A A . 1 MET HG3 1 1 10 4697 1 1 1 MET N N -31.599 -2.141 11.400 1.00 . A A . 1 MET N 1 1 10 4698 1 1 1 MET O O -28.769 -2.553 10.168 1.00 . A A . 1 MET O 1 1 10 4699 1 1 1 MET SD S -27.652 -2.341 14.810 1.00 . A A . 1 MET SD 1 1 10 4700 1 1 2 ALA C C -27.166 -0.119 8.725 1.00 . A A . 2 ALA C 1 1 10 4701 1 1 2 ALA CA C -28.646 -0.376 8.471 1.00 . A A . 2 ALA CA 1 1 10 4702 1 1 2 ALA CB C -29.226 0.698 7.562 1.00 . A A . 2 ALA CB 1 1 10 4703 1 1 2 ALA H H -29.884 0.352 10.025 1.00 . A A . 2 ALA H 1 1 10 4704 1 1 2 ALA HA H -28.754 -1.329 7.974 1.00 . A A . 2 ALA HA 1 1 10 4705 1 1 2 ALA HB1 H -30.273 0.498 7.394 1.00 . A A . 2 ALA HB1 1 1 10 4706 1 1 2 ALA HB2 H -28.701 0.692 6.619 1.00 . A A . 2 ALA HB2 1 1 10 4707 1 1 2 ALA HB3 H -29.113 1.664 8.032 1.00 . A A . 2 ALA HB3 1 1 10 4708 1 1 2 ALA N N -29.392 -0.442 9.719 1.00 . A A . 2 ALA N 1 1 10 4709 1 1 2 ALA O O -26.753 1.011 8.991 1.00 . A A . 2 ALA O 1 1 10 4710 1 1 3 THR C C -24.290 -0.694 7.474 1.00 . A A . 3 THR C 1 1 10 4711 1 1 3 THR CA C -24.935 -1.082 8.802 1.00 . A A . 3 THR CA 1 1 10 4712 1 1 3 THR CB C -24.359 -2.418 9.320 1.00 . A A . 3 THR CB 1 1 10 4713 1 1 3 THR CG2 C -22.904 -2.275 9.742 1.00 . A A . 3 THR CG2 1 1 10 4714 1 1 3 THR H H -26.777 -2.058 8.464 1.00 . A A . 3 THR H 1 1 10 4715 1 1 3 THR HA H -24.734 -0.314 9.520 1.00 . A A . 3 THR HA 1 1 10 4716 1 1 3 THR HB H -24.422 -3.153 8.529 1.00 . A A . 3 THR HB 1 1 10 4717 1 1 3 THR HG1 H -25.629 -3.663 10.186 1.00 . A A . 3 THR HG1 1 1 10 4718 1 1 3 THR HG21 H -22.313 -1.961 8.894 1.00 . A A . 3 THR HG21 1 1 10 4719 1 1 3 THR HG22 H -22.540 -3.224 10.103 1.00 . A A . 3 THR HG22 1 1 10 4720 1 1 3 THR HG23 H -22.828 -1.537 10.525 1.00 . A A . 3 THR HG23 1 1 10 4721 1 1 3 THR N N -26.377 -1.179 8.639 1.00 . A A . 3 THR N 1 1 10 4722 1 1 3 THR O O -23.100 -0.383 7.392 1.00 . A A . 3 THR O 1 1 10 4723 1 1 3 THR OG1 O -25.137 -2.870 10.441 1.00 . A A . 3 THR OG1 1 1 10 4724 1 1 4 LYS C C -25.143 1.146 4.852 1.00 . A A . 4 LYS C 1 1 10 4725 1 1 4 LYS CA C -24.681 -0.275 5.119 1.00 . A A . 4 LYS CA 1 1 10 4726 1 1 4 LYS CB C -25.219 -1.227 4.048 1.00 . A A . 4 LYS CB 1 1 10 4727 1 1 4 LYS CD C -25.242 -3.565 3.096 1.00 . A A . 4 LYS CD 1 1 10 4728 1 1 4 LYS CE C -26.717 -3.818 3.365 1.00 . A A . 4 LYS CE 1 1 10 4729 1 1 4 LYS CG C -24.629 -2.627 4.126 1.00 . A A . 4 LYS CG 1 1 10 4730 1 1 4 LYS H H -26.035 -0.964 6.588 1.00 . A A . 4 LYS H 1 1 10 4731 1 1 4 LYS HA H -23.603 -0.289 5.103 1.00 . A A . 4 LYS HA 1 1 10 4732 1 1 4 LYS HB2 H -26.290 -1.302 4.159 1.00 . A A . 4 LYS HB2 1 1 10 4733 1 1 4 LYS HB3 H -24.996 -0.817 3.074 1.00 . A A . 4 LYS HB3 1 1 10 4734 1 1 4 LYS HD2 H -25.138 -3.126 2.116 1.00 . A A . 4 LYS HD2 1 1 10 4735 1 1 4 LYS HD3 H -24.715 -4.508 3.126 1.00 . A A . 4 LYS HD3 1 1 10 4736 1 1 4 LYS HE2 H -26.828 -4.187 4.372 1.00 . A A . 4 LYS HE2 1 1 10 4737 1 1 4 LYS HE3 H -27.255 -2.887 3.262 1.00 . A A . 4 LYS HE3 1 1 10 4738 1 1 4 LYS HG2 H -23.565 -2.567 3.951 1.00 . A A . 4 LYS HG2 1 1 10 4739 1 1 4 LYS HG3 H -24.808 -3.025 5.113 1.00 . A A . 4 LYS HG3 1 1 10 4740 1 1 4 LYS HZ1 H -28.294 -4.979 2.639 1.00 . A A . 4 LYS HZ1 1 1 10 4741 1 1 4 LYS HZ2 H -26.780 -5.716 2.502 1.00 . A A . 4 LYS HZ2 1 1 10 4742 1 1 4 LYS HZ3 H -27.213 -4.469 1.446 1.00 . A A . 4 LYS HZ3 1 1 10 4743 1 1 4 LYS N N -25.108 -0.690 6.445 1.00 . A A . 4 LYS N 1 1 10 4744 1 1 4 LYS NZ N -27.291 -4.814 2.423 1.00 . A A . 4 LYS NZ 1 1 10 4745 1 1 4 LYS O O -26.232 1.377 4.328 1.00 . A A . 4 LYS O 1 1 10 4746 1 1 5 HIS C C -23.551 4.211 4.319 1.00 . A A . 5 HIS C 1 1 10 4747 1 1 5 HIS CA C -24.634 3.497 5.115 1.00 . A A . 5 HIS CA 1 1 10 4748 1 1 5 HIS CB C -24.763 4.105 6.512 1.00 . A A . 5 HIS CB 1 1 10 4749 1 1 5 HIS CD2 C -25.195 6.611 5.969 1.00 . A A . 5 HIS CD2 1 1 10 4750 1 1 5 HIS CE1 C -27.013 6.881 7.159 1.00 . A A . 5 HIS CE1 1 1 10 4751 1 1 5 HIS CG C -25.479 5.422 6.555 1.00 . A A . 5 HIS CG 1 1 10 4752 1 1 5 HIS H H -23.440 1.834 5.611 1.00 . A A . 5 HIS H 1 1 10 4753 1 1 5 HIS HA H -25.576 3.585 4.596 1.00 . A A . 5 HIS HA 1 1 10 4754 1 1 5 HIS HB2 H -25.302 3.412 7.142 1.00 . A A . 5 HIS HB2 1 1 10 4755 1 1 5 HIS HB3 H -23.774 4.253 6.919 1.00 . A A . 5 HIS HB3 1 1 10 4756 1 1 5 HIS HD1 H -27.087 4.953 7.839 1.00 . A A . 5 HIS HD1 1 1 10 4757 1 1 5 HIS HD2 H -24.362 6.818 5.312 1.00 . A A . 5 HIS HD2 1 1 10 4758 1 1 5 HIS HE1 H -27.881 7.325 7.621 1.00 . A A . 5 HIS HE1 1 1 10 4759 1 1 5 HIS HE2 H -26.198 8.451 6.121 1.00 . A A . 5 HIS HE2 1 1 10 4760 1 1 5 HIS N N -24.307 2.091 5.234 1.00 . A A . 5 HIS N 1 1 10 4761 1 1 5 HIS ND1 N -26.625 5.627 7.293 1.00 . A A . 5 HIS ND1 1 1 10 4762 1 1 5 HIS NE2 N -26.162 7.498 6.363 1.00 . A A . 5 HIS NE2 1 1 10 4763 1 1 5 HIS O O -23.828 4.866 3.314 1.00 . A A . 5 HIS O 1 1 10 4764 1 1 6 GLY C C -19.966 3.812 4.064 1.00 . A A . 6 GLY C 1 1 10 4765 1 1 6 GLY CA C -21.198 4.690 4.080 1.00 . A A . 6 GLY CA 1 1 10 4766 1 1 6 GLY H H -22.150 3.539 5.579 1.00 . A A . 6 GLY H 1 1 10 4767 1 1 6 GLY HA2 H -21.491 4.900 3.063 1.00 . A A . 6 GLY HA2 1 1 10 4768 1 1 6 GLY HA3 H -20.958 5.619 4.574 1.00 . A A . 6 GLY HA3 1 1 10 4769 1 1 6 GLY N N -22.310 4.067 4.769 1.00 . A A . 6 GLY N 1 1 10 4770 1 1 6 GLY O O -19.170 3.873 3.129 1.00 . A A . 6 GLY O 1 1 10 4771 1 1 7 LYS C C -18.793 0.893 4.311 1.00 . A A . 7 LYS C 1 1 10 4772 1 1 7 LYS CA C -18.653 2.111 5.215 1.00 . A A . 7 LYS CA 1 1 10 4773 1 1 7 LYS CB C -18.468 1.662 6.665 1.00 . A A . 7 LYS CB 1 1 10 4774 1 1 7 LYS CD C -17.032 3.588 7.379 1.00 . A A . 7 LYS CD 1 1 10 4775 1 1 7 LYS CE C -16.895 4.725 8.367 1.00 . A A . 7 LYS CE 1 1 10 4776 1 1 7 LYS CG C -18.300 2.802 7.644 1.00 . A A . 7 LYS CG 1 1 10 4777 1 1 7 LYS H H -20.496 2.968 5.794 1.00 . A A . 7 LYS H 1 1 10 4778 1 1 7 LYS HA H -17.782 2.673 4.908 1.00 . A A . 7 LYS HA 1 1 10 4779 1 1 7 LYS HB2 H -19.328 1.090 6.967 1.00 . A A . 7 LYS HB2 1 1 10 4780 1 1 7 LYS HB3 H -17.591 1.034 6.725 1.00 . A A . 7 LYS HB3 1 1 10 4781 1 1 7 LYS HD2 H -16.181 2.931 7.477 1.00 . A A . 7 LYS HD2 1 1 10 4782 1 1 7 LYS HD3 H -17.068 3.993 6.379 1.00 . A A . 7 LYS HD3 1 1 10 4783 1 1 7 LYS HE2 H -17.071 4.335 9.357 1.00 . A A . 7 LYS HE2 1 1 10 4784 1 1 7 LYS HE3 H -15.893 5.120 8.307 1.00 . A A . 7 LYS HE3 1 1 10 4785 1 1 7 LYS HG2 H -19.145 3.464 7.555 1.00 . A A . 7 LYS HG2 1 1 10 4786 1 1 7 LYS HG3 H -18.260 2.401 8.646 1.00 . A A . 7 LYS HG3 1 1 10 4787 1 1 7 LYS HZ1 H -17.784 6.554 8.829 1.00 . A A . 7 LYS HZ1 1 1 10 4788 1 1 7 LYS HZ2 H -18.841 5.447 8.114 1.00 . A A . 7 LYS HZ2 1 1 10 4789 1 1 7 LYS HZ3 H -17.685 6.242 7.170 1.00 . A A . 7 LYS HZ3 1 1 10 4790 1 1 7 LYS N N -19.812 2.987 5.094 1.00 . A A . 7 LYS N 1 1 10 4791 1 1 7 LYS NZ N -17.870 5.816 8.101 1.00 . A A . 7 LYS NZ 1 1 10 4792 1 1 7 LYS O O -19.250 -0.169 4.741 1.00 . A A . 7 LYS O 1 1 10 4793 1 1 8 ASN C C -17.420 0.208 0.981 1.00 . A A . 8 ASN C 1 1 10 4794 1 1 8 ASN CA C -18.434 -0.032 2.093 1.00 . A A . 8 ASN CA 1 1 10 4795 1 1 8 ASN CB C -19.836 -0.180 1.492 1.00 . A A . 8 ASN CB 1 1 10 4796 1 1 8 ASN CG C -19.950 -1.386 0.578 1.00 . A A . 8 ASN CG 1 1 10 4797 1 1 8 ASN H H -18.068 1.940 2.777 1.00 . A A . 8 ASN H 1 1 10 4798 1 1 8 ASN HA H -18.173 -0.942 2.610 1.00 . A A . 8 ASN HA 1 1 10 4799 1 1 8 ASN HB2 H -20.553 -0.290 2.293 1.00 . A A . 8 ASN HB2 1 1 10 4800 1 1 8 ASN HB3 H -20.073 0.706 0.921 1.00 . A A . 8 ASN HB3 1 1 10 4801 1 1 8 ASN HD21 H -20.850 -2.033 -1.066 1.00 . A A . 8 ASN HD21 1 1 10 4802 1 1 8 ASN HD22 H -21.255 -0.426 -0.572 1.00 . A A . 8 ASN HD22 1 1 10 4803 1 1 8 ASN N N -18.398 1.058 3.058 1.00 . A A . 8 ASN N 1 1 10 4804 1 1 8 ASN ND2 N -20.768 -1.271 -0.455 1.00 . A A . 8 ASN ND2 1 1 10 4805 1 1 8 ASN O O -16.628 -0.669 0.643 1.00 . A A . 8 ASN O 1 1 10 4806 1 1 8 ASN OD1 O -19.303 -2.412 0.796 1.00 . A A . 8 ASN OD1 1 1 10 4807 1 1 9 SER C C -15.104 1.876 -0.288 1.00 . A A . 9 SER C 1 1 10 4808 1 1 9 SER CA C -16.573 1.772 -0.685 1.00 . A A . 9 SER CA 1 1 10 4809 1 1 9 SER CB C -17.048 3.091 -1.296 1.00 . A A . 9 SER CB 1 1 10 4810 1 1 9 SER H H -18.020 2.105 0.815 1.00 . A A . 9 SER H 1 1 10 4811 1 1 9 SER HA H -16.666 0.994 -1.418 1.00 . A A . 9 SER HA 1 1 10 4812 1 1 9 SER HB2 H -16.860 3.895 -0.600 1.00 . A A . 9 SER HB2 1 1 10 4813 1 1 9 SER HB3 H -16.511 3.273 -2.214 1.00 . A A . 9 SER HB3 1 1 10 4814 1 1 9 SER HG H -18.728 3.920 -1.883 1.00 . A A . 9 SER HG 1 1 10 4815 1 1 9 SER N N -17.423 1.422 0.446 1.00 . A A . 9 SER N 1 1 10 4816 1 1 9 SER O O -14.233 2.048 -1.145 1.00 . A A . 9 SER O 1 1 10 4817 1 1 9 SER OG O -18.440 3.049 -1.578 1.00 . A A . 9 SER OG 1 1 10 4818 1 1 10 TRP C C -12.640 0.647 1.001 1.00 . A A . 10 TRP C 1 1 10 4819 1 1 10 TRP CA C -13.453 1.832 1.475 1.00 . A A . 10 TRP CA 1 1 10 4820 1 1 10 TRP CB C -13.369 1.863 2.989 1.00 . A A . 10 TRP CB 1 1 10 4821 1 1 10 TRP CD1 C -15.359 0.609 3.987 1.00 . A A . 10 TRP CD1 1 1 10 4822 1 1 10 TRP CD2 C -13.414 -0.442 4.025 1.00 . A A . 10 TRP CD2 1 1 10 4823 1 1 10 TRP CE2 C -14.351 -1.268 4.642 1.00 . A A . 10 TRP CE2 1 1 10 4824 1 1 10 TRP CE3 C -12.113 -0.850 3.896 1.00 . A A . 10 TRP CE3 1 1 10 4825 1 1 10 TRP CG C -14.054 0.732 3.641 1.00 . A A . 10 TRP CG 1 1 10 4826 1 1 10 TRP CH2 C -12.691 -2.891 5.011 1.00 . A A . 10 TRP CH2 1 1 10 4827 1 1 10 TRP CZ2 C -13.999 -2.510 5.147 1.00 . A A . 10 TRP CZ2 1 1 10 4828 1 1 10 TRP CZ3 C -11.758 -2.061 4.382 1.00 . A A . 10 TRP CZ3 1 1 10 4829 1 1 10 TRP H H -15.552 1.644 1.645 1.00 . A A . 10 TRP H 1 1 10 4830 1 1 10 TRP HA H -13.014 2.735 1.084 1.00 . A A . 10 TRP HA 1 1 10 4831 1 1 10 TRP HB2 H -12.330 1.802 3.270 1.00 . A A . 10 TRP HB2 1 1 10 4832 1 1 10 TRP HB3 H -13.759 2.756 3.373 1.00 . A A . 10 TRP HB3 1 1 10 4833 1 1 10 TRP HD1 H -16.109 1.359 3.794 1.00 . A A . 10 TRP HD1 1 1 10 4834 1 1 10 TRP HE1 H -16.404 -0.937 4.973 1.00 . A A . 10 TRP HE1 1 1 10 4835 1 1 10 TRP HE3 H -11.390 -0.229 3.386 1.00 . A A . 10 TRP HE3 1 1 10 4836 1 1 10 TRP HH2 H -12.364 -3.843 5.381 1.00 . A A . 10 TRP HH2 1 1 10 4837 1 1 10 TRP HZ2 H -14.707 -3.149 5.631 1.00 . A A . 10 TRP HZ2 1 1 10 4838 1 1 10 TRP HZ3 H -10.745 -2.373 4.290 1.00 . A A . 10 TRP HZ3 1 1 10 4839 1 1 10 TRP N N -14.823 1.764 1.002 1.00 . A A . 10 TRP N 1 1 10 4840 1 1 10 TRP NE1 N -15.554 -0.604 4.612 1.00 . A A . 10 TRP NE1 1 1 10 4841 1 1 10 TRP O O -11.455 0.759 0.822 1.00 . A A . 10 TRP O 1 1 10 4842 1 1 11 LYS C C -11.797 -1.444 -0.891 1.00 . A A . 11 LYS C 1 1 10 4843 1 1 11 LYS CA C -12.516 -1.688 0.430 1.00 . A A . 11 LYS CA 1 1 10 4844 1 1 11 LYS CB C -13.460 -2.858 0.300 1.00 . A A . 11 LYS CB 1 1 10 4845 1 1 11 LYS CD C -15.005 -4.432 1.524 1.00 . A A . 11 LYS CD 1 1 10 4846 1 1 11 LYS CE C -16.260 -3.609 1.277 1.00 . A A . 11 LYS CE 1 1 10 4847 1 1 11 LYS CG C -13.773 -3.544 1.618 1.00 . A A . 11 LYS CG 1 1 10 4848 1 1 11 LYS H H -14.227 -0.554 0.975 1.00 . A A . 11 LYS H 1 1 10 4849 1 1 11 LYS HA H -11.780 -1.903 1.199 1.00 . A A . 11 LYS HA 1 1 10 4850 1 1 11 LYS HB2 H -14.386 -2.514 -0.138 1.00 . A A . 11 LYS HB2 1 1 10 4851 1 1 11 LYS HB3 H -13.005 -3.558 -0.355 1.00 . A A . 11 LYS HB3 1 1 10 4852 1 1 11 LYS HD2 H -14.875 -5.127 0.709 1.00 . A A . 11 LYS HD2 1 1 10 4853 1 1 11 LYS HD3 H -15.117 -4.975 2.450 1.00 . A A . 11 LYS HD3 1 1 10 4854 1 1 11 LYS HE2 H -16.288 -2.800 1.992 1.00 . A A . 11 LYS HE2 1 1 10 4855 1 1 11 LYS HE3 H -16.214 -3.201 0.279 1.00 . A A . 11 LYS HE3 1 1 10 4856 1 1 11 LYS HG2 H -12.928 -4.151 1.903 1.00 . A A . 11 LYS HG2 1 1 10 4857 1 1 11 LYS HG3 H -13.943 -2.788 2.372 1.00 . A A . 11 LYS HG3 1 1 10 4858 1 1 11 LYS HZ1 H -18.335 -3.810 1.247 1.00 . A A . 11 LYS HZ1 1 1 10 4859 1 1 11 LYS HZ2 H -17.562 -4.820 2.367 1.00 . A A . 11 LYS HZ2 1 1 10 4860 1 1 11 LYS HZ3 H -17.506 -5.184 0.717 1.00 . A A . 11 LYS HZ3 1 1 10 4861 1 1 11 LYS N N -13.259 -0.499 0.831 1.00 . A A . 11 LYS N 1 1 10 4862 1 1 11 LYS NZ N -17.501 -4.414 1.413 1.00 . A A . 11 LYS NZ 1 1 10 4863 1 1 11 LYS O O -10.682 -1.914 -1.117 1.00 . A A . 11 LYS O 1 1 10 4864 1 1 12 THR C C -10.711 0.720 -2.763 1.00 . A A . 12 THR C 1 1 10 4865 1 1 12 THR CA C -11.915 -0.213 -2.989 1.00 . A A . 12 THR CA 1 1 10 4866 1 1 12 THR CB C -13.065 0.490 -3.735 1.00 . A A . 12 THR CB 1 1 10 4867 1 1 12 THR CG2 C -12.611 1.672 -4.576 1.00 . A A . 12 THR CG2 1 1 10 4868 1 1 12 THR H H -13.358 -0.386 -1.476 1.00 . A A . 12 THR H 1 1 10 4869 1 1 12 THR HA H -11.603 -1.073 -3.562 1.00 . A A . 12 THR HA 1 1 10 4870 1 1 12 THR HB H -13.748 0.846 -2.977 1.00 . A A . 12 THR HB 1 1 10 4871 1 1 12 THR HG1 H -13.157 -0.872 -5.164 1.00 . A A . 12 THR HG1 1 1 10 4872 1 1 12 THR HG21 H -11.931 1.334 -5.343 1.00 . A A . 12 THR HG21 1 1 10 4873 1 1 12 THR HG22 H -12.115 2.391 -3.942 1.00 . A A . 12 THR HG22 1 1 10 4874 1 1 12 THR HG23 H -13.475 2.134 -5.034 1.00 . A A . 12 THR HG23 1 1 10 4875 1 1 12 THR N N -12.453 -0.671 -1.725 1.00 . A A . 12 THR N 1 1 10 4876 1 1 12 THR O O -9.791 0.799 -3.581 1.00 . A A . 12 THR O 1 1 10 4877 1 1 12 THR OG1 O -13.774 -0.456 -4.546 1.00 . A A . 12 THR OG1 1 1 10 4878 1 1 13 LEU C C -8.576 1.383 -0.478 1.00 . A A . 13 LEU C 1 1 10 4879 1 1 13 LEU CA C -9.623 2.238 -1.169 1.00 . A A . 13 LEU CA 1 1 10 4880 1 1 13 LEU CB C -10.166 3.285 -0.171 1.00 . A A . 13 LEU CB 1 1 10 4881 1 1 13 LEU CD1 C -9.032 4.834 1.448 1.00 . A A . 13 LEU CD1 1 1 10 4882 1 1 13 LEU CD2 C -10.278 2.852 2.329 1.00 . A A . 13 LEU CD2 1 1 10 4883 1 1 13 LEU CG C -9.426 3.392 1.174 1.00 . A A . 13 LEU CG 1 1 10 4884 1 1 13 LEU H H -11.519 1.320 -1.048 1.00 . A A . 13 LEU H 1 1 10 4885 1 1 13 LEU HA H -9.181 2.732 -2.026 1.00 . A A . 13 LEU HA 1 1 10 4886 1 1 13 LEU HB2 H -10.144 4.250 -0.644 1.00 . A A . 13 LEU HB2 1 1 10 4887 1 1 13 LEU HB3 H -11.195 3.028 0.045 1.00 . A A . 13 LEU HB3 1 1 10 4888 1 1 13 LEU HD11 H -9.919 5.451 1.466 1.00 . A A . 13 LEU HD11 1 1 10 4889 1 1 13 LEU HD12 H -8.369 5.180 0.670 1.00 . A A . 13 LEU HD12 1 1 10 4890 1 1 13 LEU HD13 H -8.529 4.896 2.402 1.00 . A A . 13 LEU HD13 1 1 10 4891 1 1 13 LEU HD21 H -9.730 2.926 3.255 1.00 . A A . 13 LEU HD21 1 1 10 4892 1 1 13 LEU HD22 H -10.529 1.809 2.145 1.00 . A A . 13 LEU HD22 1 1 10 4893 1 1 13 LEU HD23 H -11.195 3.423 2.405 1.00 . A A . 13 LEU HD23 1 1 10 4894 1 1 13 LEU HG H -8.526 2.801 1.124 1.00 . A A . 13 LEU HG 1 1 10 4895 1 1 13 LEU N N -10.727 1.396 -1.624 1.00 . A A . 13 LEU N 1 1 10 4896 1 1 13 LEU O O -7.384 1.676 -0.495 1.00 . A A . 13 LEU O 1 1 10 4897 1 1 14 TYR C C -7.268 -1.352 0.408 1.00 . A A . 14 TYR C 1 1 10 4898 1 1 14 TYR CA C -8.293 -0.450 1.063 1.00 . A A . 14 TYR CA 1 1 10 4899 1 1 14 TYR CB C -9.234 -1.281 1.916 1.00 . A A . 14 TYR CB 1 1 10 4900 1 1 14 TYR CD1 C -7.995 -3.220 2.862 1.00 . A A . 14 TYR CD1 1 1 10 4901 1 1 14 TYR CD2 C -8.291 -1.291 4.222 1.00 . A A . 14 TYR CD2 1 1 10 4902 1 1 14 TYR CE1 C -7.267 -3.827 3.849 1.00 . A A . 14 TYR CE1 1 1 10 4903 1 1 14 TYR CE2 C -7.569 -1.890 5.232 1.00 . A A . 14 TYR CE2 1 1 10 4904 1 1 14 TYR CG C -8.512 -1.953 3.031 1.00 . A A . 14 TYR CG 1 1 10 4905 1 1 14 TYR CZ C -7.050 -3.162 5.039 1.00 . A A . 14 TYR CZ 1 1 10 4906 1 1 14 TYR H H -9.964 0.021 -0.109 1.00 . A A . 14 TYR H 1 1 10 4907 1 1 14 TYR HA H -7.780 0.249 1.701 1.00 . A A . 14 TYR HA 1 1 10 4908 1 1 14 TYR HB2 H -9.987 -0.642 2.333 1.00 . A A . 14 TYR HB2 1 1 10 4909 1 1 14 TYR HB3 H -9.699 -2.042 1.305 1.00 . A A . 14 TYR HB3 1 1 10 4910 1 1 14 TYR HD1 H -8.175 -3.734 1.931 1.00 . A A . 14 TYR HD1 1 1 10 4911 1 1 14 TYR HD2 H -8.718 -0.299 4.361 1.00 . A A . 14 TYR HD2 1 1 10 4912 1 1 14 TYR HE1 H -6.873 -4.814 3.684 1.00 . A A . 14 TYR HE1 1 1 10 4913 1 1 14 TYR HE2 H -7.397 -1.360 6.155 1.00 . A A . 14 TYR HE2 1 1 10 4914 1 1 14 TYR HH H -5.458 -4.047 5.663 1.00 . A A . 14 TYR HH 1 1 10 4915 1 1 14 TYR N N -9.050 0.307 0.104 1.00 . A A . 14 TYR N 1 1 10 4916 1 1 14 TYR O O -6.129 -1.421 0.849 1.00 . A A . 14 TYR O 1 1 10 4917 1 1 14 TYR OH O -6.310 -3.765 6.033 1.00 . A A . 14 TYR OH 1 1 10 4918 1 1 15 LEU C C -5.784 -2.148 -2.138 1.00 . A A . 15 LEU C 1 1 10 4919 1 1 15 LEU CA C -6.765 -2.956 -1.307 1.00 . A A . 15 LEU CA 1 1 10 4920 1 1 15 LEU CB C -7.545 -3.943 -2.159 1.00 . A A . 15 LEU CB 1 1 10 4921 1 1 15 LEU CD1 C -9.554 -5.409 -2.412 1.00 . A A . 15 LEU CD1 1 1 10 4922 1 1 15 LEU CD2 C -8.158 -5.550 -0.345 1.00 . A A . 15 LEU CD2 1 1 10 4923 1 1 15 LEU CG C -8.693 -4.631 -1.432 1.00 . A A . 15 LEU CG 1 1 10 4924 1 1 15 LEU H H -8.579 -1.936 -0.970 1.00 . A A . 15 LEU H 1 1 10 4925 1 1 15 LEU HA H -6.226 -3.497 -0.546 1.00 . A A . 15 LEU HA 1 1 10 4926 1 1 15 LEU HB2 H -7.937 -3.425 -3.021 1.00 . A A . 15 LEU HB2 1 1 10 4927 1 1 15 LEU HB3 H -6.860 -4.703 -2.488 1.00 . A A . 15 LEU HB3 1 1 10 4928 1 1 15 LEU HD11 H -10.363 -5.887 -1.880 1.00 . A A . 15 LEU HD11 1 1 10 4929 1 1 15 LEU HD12 H -8.951 -6.157 -2.904 1.00 . A A . 15 LEU HD12 1 1 10 4930 1 1 15 LEU HD13 H -9.957 -4.730 -3.149 1.00 . A A . 15 LEU HD13 1 1 10 4931 1 1 15 LEU HD21 H -7.553 -4.977 0.342 1.00 . A A . 15 LEU HD21 1 1 10 4932 1 1 15 LEU HD22 H -7.557 -6.326 -0.794 1.00 . A A . 15 LEU HD22 1 1 10 4933 1 1 15 LEU HD23 H -8.983 -5.995 0.189 1.00 . A A . 15 LEU HD23 1 1 10 4934 1 1 15 LEU HG H -9.304 -3.880 -0.961 1.00 . A A . 15 LEU HG 1 1 10 4935 1 1 15 LEU N N -7.667 -2.044 -0.636 1.00 . A A . 15 LEU N 1 1 10 4936 1 1 15 LEU O O -4.771 -2.655 -2.622 1.00 . A A . 15 LEU O 1 1 10 4937 1 1 16 LYS C C -4.216 0.495 -1.749 1.00 . A A . 16 LYS C 1 1 10 4938 1 1 16 LYS CA C -5.222 0.114 -2.833 1.00 . A A . 16 LYS CA 1 1 10 4939 1 1 16 LYS CB C -6.063 1.317 -3.293 1.00 . A A . 16 LYS CB 1 1 10 4940 1 1 16 LYS CD C -4.938 3.376 -2.465 1.00 . A A . 16 LYS CD 1 1 10 4941 1 1 16 LYS CE C -4.277 4.690 -2.840 1.00 . A A . 16 LYS CE 1 1 10 4942 1 1 16 LYS CG C -5.270 2.545 -3.689 1.00 . A A . 16 LYS CG 1 1 10 4943 1 1 16 LYS H H -6.994 -0.578 -1.978 1.00 . A A . 16 LYS H 1 1 10 4944 1 1 16 LYS HA H -4.703 -0.320 -3.676 1.00 . A A . 16 LYS HA 1 1 10 4945 1 1 16 LYS HB2 H -6.672 1.024 -4.133 1.00 . A A . 16 LYS HB2 1 1 10 4946 1 1 16 LYS HB3 H -6.719 1.597 -2.482 1.00 . A A . 16 LYS HB3 1 1 10 4947 1 1 16 LYS HD2 H -5.853 3.574 -1.926 1.00 . A A . 16 LYS HD2 1 1 10 4948 1 1 16 LYS HD3 H -4.270 2.804 -1.835 1.00 . A A . 16 LYS HD3 1 1 10 4949 1 1 16 LYS HE2 H -3.988 5.204 -1.937 1.00 . A A . 16 LYS HE2 1 1 10 4950 1 1 16 LYS HE3 H -3.399 4.479 -3.431 1.00 . A A . 16 LYS HE3 1 1 10 4951 1 1 16 LYS HG2 H -4.352 2.234 -4.166 1.00 . A A . 16 LYS HG2 1 1 10 4952 1 1 16 LYS HG3 H -5.853 3.139 -4.373 1.00 . A A . 16 LYS HG3 1 1 10 4953 1 1 16 LYS HZ1 H -6.041 5.778 -3.074 1.00 . A A . 16 LYS HZ1 1 1 10 4954 1 1 16 LYS HZ2 H -5.469 5.093 -4.507 1.00 . A A . 16 LYS HZ2 1 1 10 4955 1 1 16 LYS HZ3 H -4.711 6.459 -3.860 1.00 . A A . 16 LYS HZ3 1 1 10 4956 1 1 16 LYS N N -6.112 -0.873 -2.279 1.00 . A A . 16 LYS N 1 1 10 4957 1 1 16 LYS NZ N -5.187 5.565 -3.625 1.00 . A A . 16 LYS NZ 1 1 10 4958 1 1 16 LYS O O -3.019 0.636 -2.001 1.00 . A A . 16 LYS O 1 1 10 4959 1 1 17 ILE C C -2.947 -0.230 0.899 1.00 . A A . 17 ILE C 1 1 10 4960 1 1 17 ILE CA C -3.930 0.909 0.644 1.00 . A A . 17 ILE CA 1 1 10 4961 1 1 17 ILE CB C -4.852 1.118 1.872 1.00 . A A . 17 ILE CB 1 1 10 4962 1 1 17 ILE CD1 C -6.316 2.839 3.046 1.00 . A A . 17 ILE CD1 1 1 10 4963 1 1 17 ILE CG1 C -5.359 2.561 1.908 1.00 . A A . 17 ILE CG1 1 1 10 4964 1 1 17 ILE CG2 C -4.161 0.746 3.173 1.00 . A A . 17 ILE CG2 1 1 10 4965 1 1 17 ILE H H -5.701 0.550 -0.413 1.00 . A A . 17 ILE H 1 1 10 4966 1 1 17 ILE HA H -3.387 1.817 0.469 1.00 . A A . 17 ILE HA 1 1 10 4967 1 1 17 ILE HB H -5.701 0.461 1.757 1.00 . A A . 17 ILE HB 1 1 10 4968 1 1 17 ILE HD11 H -6.640 3.869 3.001 1.00 . A A . 17 ILE HD11 1 1 10 4969 1 1 17 ILE HD12 H -5.815 2.661 3.987 1.00 . A A . 17 ILE HD12 1 1 10 4970 1 1 17 ILE HD13 H -7.172 2.187 2.965 1.00 . A A . 17 ILE HD13 1 1 10 4971 1 1 17 ILE HG12 H -4.517 3.228 2.016 1.00 . A A . 17 ILE HG12 1 1 10 4972 1 1 17 ILE HG13 H -5.871 2.781 0.981 1.00 . A A . 17 ILE HG13 1 1 10 4973 1 1 17 ILE HG21 H -4.876 0.786 3.985 1.00 . A A . 17 ILE HG21 1 1 10 4974 1 1 17 ILE HG22 H -3.356 1.438 3.364 1.00 . A A . 17 ILE HG22 1 1 10 4975 1 1 17 ILE HG23 H -3.766 -0.255 3.089 1.00 . A A . 17 ILE HG23 1 1 10 4976 1 1 17 ILE N N -4.733 0.635 -0.530 1.00 . A A . 17 ILE N 1 1 10 4977 1 1 17 ILE O O -1.763 -0.003 1.155 1.00 . A A . 17 ILE O 1 1 10 4978 1 1 18 SER C C -1.562 -2.723 -0.118 1.00 . A A . 18 SER C 1 1 10 4979 1 1 18 SER CA C -2.621 -2.640 0.976 1.00 . A A . 18 SER CA 1 1 10 4980 1 1 18 SER CB C -3.496 -3.893 0.933 1.00 . A A . 18 SER CB 1 1 10 4981 1 1 18 SER H H -4.409 -1.562 0.620 1.00 . A A . 18 SER H 1 1 10 4982 1 1 18 SER HA H -2.136 -2.576 1.938 1.00 . A A . 18 SER HA 1 1 10 4983 1 1 18 SER HB2 H -3.875 -4.028 -0.070 1.00 . A A . 18 SER HB2 1 1 10 4984 1 1 18 SER HB3 H -2.903 -4.751 1.210 1.00 . A A . 18 SER HB3 1 1 10 4985 1 1 18 SER HG H -4.331 -3.252 2.593 1.00 . A A . 18 SER HG 1 1 10 4986 1 1 18 SER N N -3.445 -1.454 0.802 1.00 . A A . 18 SER N 1 1 10 4987 1 1 18 SER O O -0.516 -3.350 0.057 1.00 . A A . 18 SER O 1 1 10 4988 1 1 18 SER OG O -4.590 -3.785 1.828 1.00 . A A . 18 SER OG 1 1 10 4989 1 1 19 PHE C C 0.140 -1.096 -2.311 1.00 . A A . 19 PHE C 1 1 10 4990 1 1 19 PHE CA C -0.967 -2.143 -2.397 1.00 . A A . 19 PHE CA 1 1 10 4991 1 1 19 PHE CB C -1.788 -1.942 -3.669 1.00 . A A . 19 PHE CB 1 1 10 4992 1 1 19 PHE CD1 C -1.237 -3.563 -5.487 1.00 . A A . 19 PHE CD1 1 1 10 4993 1 1 19 PHE CD2 C -0.212 -1.413 -5.542 1.00 . A A . 19 PHE CD2 1 1 10 4994 1 1 19 PHE CE1 C -0.578 -3.911 -6.649 1.00 . A A . 19 PHE CE1 1 1 10 4995 1 1 19 PHE CE2 C 0.451 -1.754 -6.703 1.00 . A A . 19 PHE CE2 1 1 10 4996 1 1 19 PHE CG C -1.062 -2.313 -4.924 1.00 . A A . 19 PHE CG 1 1 10 4997 1 1 19 PHE CZ C 0.267 -3.005 -7.259 1.00 . A A . 19 PHE CZ 1 1 10 4998 1 1 19 PHE H H -2.655 -1.535 -1.288 1.00 . A A . 19 PHE H 1 1 10 4999 1 1 19 PHE HA H -0.518 -3.125 -2.419 1.00 . A A . 19 PHE HA 1 1 10 5000 1 1 19 PHE HB2 H -2.680 -2.547 -3.610 1.00 . A A . 19 PHE HB2 1 1 10 5001 1 1 19 PHE HB3 H -2.074 -0.901 -3.741 1.00 . A A . 19 PHE HB3 1 1 10 5002 1 1 19 PHE HD1 H -1.899 -4.270 -5.007 1.00 . A A . 19 PHE HD1 1 1 10 5003 1 1 19 PHE HD2 H -0.065 -0.436 -5.103 1.00 . A A . 19 PHE HD2 1 1 10 5004 1 1 19 PHE HE1 H -0.724 -4.890 -7.080 1.00 . A A . 19 PHE HE1 1 1 10 5005 1 1 19 PHE HE2 H 1.111 -1.044 -7.175 1.00 . A A . 19 PHE HE2 1 1 10 5006 1 1 19 PHE HZ H 0.783 -3.275 -8.167 1.00 . A A . 19 PHE HZ 1 1 10 5007 1 1 19 PHE N N -1.839 -2.077 -1.239 1.00 . A A . 19 PHE N 1 1 10 5008 1 1 19 PHE O O 1.322 -1.434 -2.283 1.00 . A A . 19 PHE O 1 1 10 5009 1 1 20 LEU C C 1.475 1.296 -0.912 1.00 . A A . 20 LEU C 1 1 10 5010 1 1 20 LEU CA C 0.729 1.256 -2.232 1.00 . A A . 20 LEU CA 1 1 10 5011 1 1 20 LEU CB C 0.069 2.605 -2.509 1.00 . A A . 20 LEU CB 1 1 10 5012 1 1 20 LEU CD1 C -1.309 1.982 -4.503 1.00 . A A . 20 LEU CD1 1 1 10 5013 1 1 20 LEU CD2 C -0.569 4.351 -4.189 1.00 . A A . 20 LEU CD2 1 1 10 5014 1 1 20 LEU CG C -0.211 2.888 -3.983 1.00 . A A . 20 LEU CG 1 1 10 5015 1 1 20 LEU H H -1.204 0.390 -2.250 1.00 . A A . 20 LEU H 1 1 10 5016 1 1 20 LEU HA H 1.445 1.059 -3.016 1.00 . A A . 20 LEU HA 1 1 10 5017 1 1 20 LEU HB2 H -0.867 2.637 -1.974 1.00 . A A . 20 LEU HB2 1 1 10 5018 1 1 20 LEU HB3 H 0.712 3.383 -2.130 1.00 . A A . 20 LEU HB3 1 1 10 5019 1 1 20 LEU HD11 H -1.055 0.956 -4.278 1.00 . A A . 20 LEU HD11 1 1 10 5020 1 1 20 LEU HD12 H -1.402 2.104 -5.571 1.00 . A A . 20 LEU HD12 1 1 10 5021 1 1 20 LEU HD13 H -2.241 2.235 -4.026 1.00 . A A . 20 LEU HD13 1 1 10 5022 1 1 20 LEU HD21 H 0.268 4.971 -3.901 1.00 . A A . 20 LEU HD21 1 1 10 5023 1 1 20 LEU HD22 H -1.425 4.602 -3.583 1.00 . A A . 20 LEU HD22 1 1 10 5024 1 1 20 LEU HD23 H -0.802 4.522 -5.229 1.00 . A A . 20 LEU HD23 1 1 10 5025 1 1 20 LEU HG H 0.681 2.681 -4.554 1.00 . A A . 20 LEU HG 1 1 10 5026 1 1 20 LEU N N -0.244 0.173 -2.259 1.00 . A A . 20 LEU N 1 1 10 5027 1 1 20 LEU O O 2.649 1.640 -0.877 1.00 . A A . 20 LEU O 1 1 10 5028 1 1 21 GLY C C 2.522 -0.263 1.465 1.00 . A A . 21 GLY C 1 1 10 5029 1 1 21 GLY CA C 1.481 0.841 1.454 1.00 . A A . 21 GLY CA 1 1 10 5030 1 1 21 GLY H H -0.151 0.713 0.105 1.00 . A A . 21 GLY H 1 1 10 5031 1 1 21 GLY HA2 H 1.966 1.785 1.656 1.00 . A A . 21 GLY HA2 1 1 10 5032 1 1 21 GLY HA3 H 0.753 0.644 2.226 1.00 . A A . 21 GLY HA3 1 1 10 5033 1 1 21 GLY N N 0.806 0.925 0.172 1.00 . A A . 21 GLY N 1 1 10 5034 1 1 21 GLY O O 3.389 -0.313 2.339 1.00 . A A . 21 GLY O 1 1 10 5035 1 1 22 CYS C C 4.556 -1.751 -0.557 1.00 . A A . 22 CYS C 1 1 10 5036 1 1 22 CYS CA C 3.389 -2.221 0.307 1.00 . A A . 22 CYS CA 1 1 10 5037 1 1 22 CYS CB C 2.705 -3.433 -0.335 1.00 . A A . 22 CYS CB 1 1 10 5038 1 1 22 CYS H H 1.692 -1.068 -0.155 1.00 . A A . 22 CYS H 1 1 10 5039 1 1 22 CYS HA H 3.761 -2.499 1.281 1.00 . A A . 22 CYS HA 1 1 10 5040 1 1 22 CYS HB2 H 1.850 -3.704 0.260 1.00 . A A . 22 CYS HB2 1 1 10 5041 1 1 22 CYS HB3 H 2.372 -3.163 -1.329 1.00 . A A . 22 CYS HB3 1 1 10 5042 1 1 22 CYS HG H 3.551 -5.650 0.593 1.00 . A A . 22 CYS HG 1 1 10 5043 1 1 22 CYS N N 2.431 -1.145 0.479 1.00 . A A . 22 CYS N 1 1 10 5044 1 1 22 CYS O O 5.666 -2.266 -0.450 1.00 . A A . 22 CYS O 1 1 10 5045 1 1 22 CYS SG S 3.752 -4.899 -0.483 1.00 . A A . 22 CYS SG 1 1 10 5046 1 1 23 LYS C C 6.049 0.941 -1.548 1.00 . A A . 23 LYS C 1 1 10 5047 1 1 23 LYS CA C 5.359 -0.213 -2.254 1.00 . A A . 23 LYS CA 1 1 10 5048 1 1 23 LYS CB C 4.791 0.244 -3.599 1.00 . A A . 23 LYS CB 1 1 10 5049 1 1 23 LYS CD C 3.554 -0.386 -5.701 1.00 . A A . 23 LYS CD 1 1 10 5050 1 1 23 LYS CE C 4.653 0.099 -6.634 1.00 . A A . 23 LYS CE 1 1 10 5051 1 1 23 LYS CG C 4.113 -0.874 -4.376 1.00 . A A . 23 LYS CG 1 1 10 5052 1 1 23 LYS H H 3.384 -0.421 -1.504 1.00 . A A . 23 LYS H 1 1 10 5053 1 1 23 LYS HA H 6.086 -0.984 -2.421 1.00 . A A . 23 LYS HA 1 1 10 5054 1 1 23 LYS HB2 H 4.066 1.024 -3.424 1.00 . A A . 23 LYS HB2 1 1 10 5055 1 1 23 LYS HB3 H 5.594 0.638 -4.201 1.00 . A A . 23 LYS HB3 1 1 10 5056 1 1 23 LYS HD2 H 3.024 -1.196 -6.177 1.00 . A A . 23 LYS HD2 1 1 10 5057 1 1 23 LYS HD3 H 2.870 0.429 -5.514 1.00 . A A . 23 LYS HD3 1 1 10 5058 1 1 23 LYS HE2 H 5.124 0.966 -6.196 1.00 . A A . 23 LYS HE2 1 1 10 5059 1 1 23 LYS HE3 H 5.385 -0.688 -6.748 1.00 . A A . 23 LYS HE3 1 1 10 5060 1 1 23 LYS HG2 H 4.835 -1.653 -4.568 1.00 . A A . 23 LYS HG2 1 1 10 5061 1 1 23 LYS HG3 H 3.304 -1.272 -3.779 1.00 . A A . 23 LYS HG3 1 1 10 5062 1 1 23 LYS HZ1 H 3.761 -0.382 -8.461 1.00 . A A . 23 LYS HZ1 1 1 10 5063 1 1 23 LYS HZ2 H 4.872 0.890 -8.553 1.00 . A A . 23 LYS HZ2 1 1 10 5064 1 1 23 LYS HZ3 H 3.347 1.149 -7.877 1.00 . A A . 23 LYS HZ3 1 1 10 5065 1 1 23 LYS N N 4.303 -0.769 -1.417 1.00 . A A . 23 LYS N 1 1 10 5066 1 1 23 LYS NZ N 4.122 0.465 -7.974 1.00 . A A . 23 LYS NZ 1 1 10 5067 1 1 23 LYS O O 7.259 1.128 -1.665 1.00 . A A . 23 LYS O 1 1 10 5068 1 1 24 VAL C C 6.331 2.311 1.328 1.00 . A A . 24 VAL C 1 1 10 5069 1 1 24 VAL CA C 5.811 2.804 -0.034 1.00 . A A . 24 VAL CA 1 1 10 5070 1 1 24 VAL CB C 4.743 3.913 0.104 1.00 . A A . 24 VAL CB 1 1 10 5071 1 1 24 VAL CG1 C 5.238 5.107 0.894 1.00 . A A . 24 VAL CG1 1 1 10 5072 1 1 24 VAL CG2 C 4.298 4.356 -1.278 1.00 . A A . 24 VAL CG2 1 1 10 5073 1 1 24 VAL H H 4.314 1.505 -0.744 1.00 . A A . 24 VAL H 1 1 10 5074 1 1 24 VAL HA H 6.645 3.206 -0.599 1.00 . A A . 24 VAL HA 1 1 10 5075 1 1 24 VAL HB H 3.900 3.506 0.609 1.00 . A A . 24 VAL HB 1 1 10 5076 1 1 24 VAL HG11 H 4.422 5.790 1.063 1.00 . A A . 24 VAL HG11 1 1 10 5077 1 1 24 VAL HG12 H 6.014 5.604 0.339 1.00 . A A . 24 VAL HG12 1 1 10 5078 1 1 24 VAL HG13 H 5.630 4.768 1.840 1.00 . A A . 24 VAL HG13 1 1 10 5079 1 1 24 VAL HG21 H 3.622 5.191 -1.192 1.00 . A A . 24 VAL HG21 1 1 10 5080 1 1 24 VAL HG22 H 3.800 3.534 -1.771 1.00 . A A . 24 VAL HG22 1 1 10 5081 1 1 24 VAL HG23 H 5.167 4.648 -1.854 1.00 . A A . 24 VAL HG23 1 1 10 5082 1 1 24 VAL N N 5.279 1.693 -0.789 1.00 . A A . 24 VAL N 1 1 10 5083 1 1 24 VAL O O 6.593 3.077 2.254 1.00 . A A . 24 VAL O 1 1 10 5084 1 1 25 VAL C C 8.697 0.266 2.041 1.00 . A A . 25 VAL C 1 1 10 5085 1 1 25 VAL CA C 7.261 0.441 2.529 1.00 . A A . 25 VAL CA 1 1 10 5086 1 1 25 VAL CB C 6.685 -0.912 2.988 1.00 . A A . 25 VAL CB 1 1 10 5087 1 1 25 VAL CG1 C 7.227 -2.061 2.151 1.00 . A A . 25 VAL CG1 1 1 10 5088 1 1 25 VAL CG2 C 6.944 -1.144 4.465 1.00 . A A . 25 VAL CG2 1 1 10 5089 1 1 25 VAL H H 6.044 0.413 0.800 1.00 . A A . 25 VAL H 1 1 10 5090 1 1 25 VAL HA H 7.246 1.132 3.360 1.00 . A A . 25 VAL HA 1 1 10 5091 1 1 25 VAL HB H 5.620 -0.873 2.840 1.00 . A A . 25 VAL HB 1 1 10 5092 1 1 25 VAL HG11 H 6.842 -2.995 2.525 1.00 . A A . 25 VAL HG11 1 1 10 5093 1 1 25 VAL HG12 H 8.308 -2.063 2.206 1.00 . A A . 25 VAL HG12 1 1 10 5094 1 1 25 VAL HG13 H 6.924 -1.927 1.121 1.00 . A A . 25 VAL HG13 1 1 10 5095 1 1 25 VAL HG21 H 8.007 -1.151 4.648 1.00 . A A . 25 VAL HG21 1 1 10 5096 1 1 25 VAL HG22 H 6.519 -2.095 4.755 1.00 . A A . 25 VAL HG22 1 1 10 5097 1 1 25 VAL HG23 H 6.483 -0.355 5.039 1.00 . A A . 25 VAL HG23 1 1 10 5098 1 1 25 VAL N N 6.478 1.008 1.447 1.00 . A A . 25 VAL N 1 1 10 5099 1 1 25 VAL O O 9.661 0.341 2.808 1.00 . A A . 25 VAL O 1 1 10 5100 1 1 26 VAL C C 10.924 1.021 -0.001 1.00 . A A . 26 VAL C 1 1 10 5101 1 1 26 VAL CA C 10.055 -0.207 0.059 1.00 . A A . 26 VAL CA 1 1 10 5102 1 1 26 VAL CB C 9.794 -0.676 -1.383 1.00 . A A . 26 VAL CB 1 1 10 5103 1 1 26 VAL CG1 C 11.097 -0.982 -2.103 1.00 . A A . 26 VAL CG1 1 1 10 5104 1 1 26 VAL CG2 C 8.870 -1.883 -1.404 1.00 . A A . 26 VAL CG2 1 1 10 5105 1 1 26 VAL H H 7.991 0.141 0.182 1.00 . A A . 26 VAL H 1 1 10 5106 1 1 26 VAL HA H 10.564 -0.983 0.592 1.00 . A A . 26 VAL HA 1 1 10 5107 1 1 26 VAL HB H 9.300 0.138 -1.902 1.00 . A A . 26 VAL HB 1 1 10 5108 1 1 26 VAL HG11 H 11.616 -1.772 -1.584 1.00 . A A . 26 VAL HG11 1 1 10 5109 1 1 26 VAL HG12 H 11.714 -0.096 -2.122 1.00 . A A . 26 VAL HG12 1 1 10 5110 1 1 26 VAL HG13 H 10.884 -1.296 -3.113 1.00 . A A . 26 VAL HG13 1 1 10 5111 1 1 26 VAL HG21 H 9.326 -2.695 -0.857 1.00 . A A . 26 VAL HG21 1 1 10 5112 1 1 26 VAL HG22 H 8.699 -2.190 -2.426 1.00 . A A . 26 VAL HG22 1 1 10 5113 1 1 26 VAL HG23 H 7.927 -1.624 -0.944 1.00 . A A . 26 VAL HG23 1 1 10 5114 1 1 26 VAL N N 8.802 0.080 0.728 1.00 . A A . 26 VAL N 1 1 10 5115 1 1 26 VAL O O 12.102 0.998 0.351 1.00 . A A . 26 VAL O 1 1 10 5116 1 1 27 LEU C C 11.589 3.927 0.637 1.00 . A A . 27 LEU C 1 1 10 5117 1 1 27 LEU CA C 11.030 3.336 -0.675 1.00 . A A . 27 LEU CA 1 1 10 5118 1 1 27 LEU CB C 10.147 4.325 -1.478 1.00 . A A . 27 LEU CB 1 1 10 5119 1 1 27 LEU CD1 C 7.840 5.257 -1.695 1.00 . A A . 27 LEU CD1 1 1 10 5120 1 1 27 LEU CD2 C 8.572 4.337 0.485 1.00 . A A . 27 LEU CD2 1 1 10 5121 1 1 27 LEU CG C 9.016 5.066 -0.753 1.00 . A A . 27 LEU CG 1 1 10 5122 1 1 27 LEU H H 9.371 2.035 -0.679 1.00 . A A . 27 LEU H 1 1 10 5123 1 1 27 LEU HA H 11.866 3.080 -1.292 1.00 . A A . 27 LEU HA 1 1 10 5124 1 1 27 LEU HB2 H 10.794 5.067 -1.915 1.00 . A A . 27 LEU HB2 1 1 10 5125 1 1 27 LEU HB3 H 9.692 3.763 -2.284 1.00 . A A . 27 LEU HB3 1 1 10 5126 1 1 27 LEU HD11 H 7.506 4.289 -2.046 1.00 . A A . 27 LEU HD11 1 1 10 5127 1 1 27 LEU HD12 H 8.142 5.862 -2.534 1.00 . A A . 27 LEU HD12 1 1 10 5128 1 1 27 LEU HD13 H 7.030 5.741 -1.170 1.00 . A A . 27 LEU HD13 1 1 10 5129 1 1 27 LEU HD21 H 9.366 4.362 1.211 1.00 . A A . 27 LEU HD21 1 1 10 5130 1 1 27 LEU HD22 H 8.350 3.307 0.237 1.00 . A A . 27 LEU HD22 1 1 10 5131 1 1 27 LEU HD23 H 7.691 4.810 0.894 1.00 . A A . 27 LEU HD23 1 1 10 5132 1 1 27 LEU HG H 9.367 6.046 -0.461 1.00 . A A . 27 LEU HG 1 1 10 5133 1 1 27 LEU N N 10.321 2.093 -0.454 1.00 . A A . 27 LEU N 1 1 10 5134 1 1 27 LEU O O 12.497 4.756 0.608 1.00 . A A . 27 LEU O 1 1 10 5135 1 1 28 LEU C C 12.578 2.894 3.600 1.00 . A A . 28 LEU C 1 1 10 5136 1 1 28 LEU CA C 11.574 3.904 3.084 1.00 . A A . 28 LEU CA 1 1 10 5137 1 1 28 LEU CB C 10.458 4.037 4.128 1.00 . A A . 28 LEU CB 1 1 10 5138 1 1 28 LEU CD1 C 8.278 4.998 4.878 1.00 . A A . 28 LEU CD1 1 1 10 5139 1 1 28 LEU CD2 C 9.768 6.327 3.372 1.00 . A A . 28 LEU CD2 1 1 10 5140 1 1 28 LEU CG C 9.286 4.932 3.744 1.00 . A A . 28 LEU CG 1 1 10 5141 1 1 28 LEU H H 10.307 2.835 1.751 1.00 . A A . 28 LEU H 1 1 10 5142 1 1 28 LEU HA H 12.063 4.857 2.957 1.00 . A A . 28 LEU HA 1 1 10 5143 1 1 28 LEU HB2 H 10.073 3.050 4.334 1.00 . A A . 28 LEU HB2 1 1 10 5144 1 1 28 LEU HB3 H 10.894 4.427 5.036 1.00 . A A . 28 LEU HB3 1 1 10 5145 1 1 28 LEU HD11 H 7.450 5.625 4.587 1.00 . A A . 28 LEU HD11 1 1 10 5146 1 1 28 LEU HD12 H 8.751 5.410 5.757 1.00 . A A . 28 LEU HD12 1 1 10 5147 1 1 28 LEU HD13 H 7.918 4.003 5.097 1.00 . A A . 28 LEU HD13 1 1 10 5148 1 1 28 LEU HD21 H 10.432 6.265 2.524 1.00 . A A . 28 LEU HD21 1 1 10 5149 1 1 28 LEU HD22 H 10.294 6.762 4.211 1.00 . A A . 28 LEU HD22 1 1 10 5150 1 1 28 LEU HD23 H 8.918 6.945 3.122 1.00 . A A . 28 LEU HD23 1 1 10 5151 1 1 28 LEU HG H 8.794 4.502 2.888 1.00 . A A . 28 LEU HG 1 1 10 5152 1 1 28 LEU N N 11.059 3.473 1.784 1.00 . A A . 28 LEU N 1 1 10 5153 1 1 28 LEU O O 13.434 3.211 4.428 1.00 . A A . 28 LEU O 1 1 10 5154 1 1 29 LYS C C 12.886 0.165 4.966 1.00 . A A . 29 LYS C 1 1 10 5155 1 1 29 LYS CA C 13.239 0.529 3.528 1.00 . A A . 29 LYS CA 1 1 10 5156 1 1 29 LYS CB C 14.742 0.817 3.397 1.00 . A A . 29 LYS CB 1 1 10 5157 1 1 29 LYS CD C 15.073 -0.171 1.092 1.00 . A A . 29 LYS CD 1 1 10 5158 1 1 29 LYS CE C 16.013 -1.284 1.535 1.00 . A A . 29 LYS CE 1 1 10 5159 1 1 29 LYS CG C 15.204 1.069 1.968 1.00 . A A . 29 LYS CG 1 1 10 5160 1 1 29 LYS H H 11.751 1.530 2.407 1.00 . A A . 29 LYS H 1 1 10 5161 1 1 29 LYS HA H 12.985 -0.308 2.892 1.00 . A A . 29 LYS HA 1 1 10 5162 1 1 29 LYS HB2 H 14.977 1.692 3.984 1.00 . A A . 29 LYS HB2 1 1 10 5163 1 1 29 LYS HB3 H 15.293 -0.026 3.787 1.00 . A A . 29 LYS HB3 1 1 10 5164 1 1 29 LYS HD2 H 14.058 -0.533 1.145 1.00 . A A . 29 LYS HD2 1 1 10 5165 1 1 29 LYS HD3 H 15.307 0.097 0.071 1.00 . A A . 29 LYS HD3 1 1 10 5166 1 1 29 LYS HE2 H 17.028 -0.918 1.494 1.00 . A A . 29 LYS HE2 1 1 10 5167 1 1 29 LYS HE3 H 15.771 -1.560 2.550 1.00 . A A . 29 LYS HE3 1 1 10 5168 1 1 29 LYS HG2 H 14.600 1.858 1.543 1.00 . A A . 29 LYS HG2 1 1 10 5169 1 1 29 LYS HG3 H 16.237 1.379 1.984 1.00 . A A . 29 LYS HG3 1 1 10 5170 1 1 29 LYS HZ1 H 14.914 -2.817 0.641 1.00 . A A . 29 LYS HZ1 1 1 10 5171 1 1 29 LYS HZ2 H 16.500 -3.248 1.027 1.00 . A A . 29 LYS HZ2 1 1 10 5172 1 1 29 LYS HZ3 H 16.196 -2.253 -0.304 1.00 . A A . 29 LYS HZ3 1 1 10 5173 1 1 29 LYS N N 12.435 1.670 3.096 1.00 . A A . 29 LYS N 1 1 10 5174 1 1 29 LYS NZ N 15.899 -2.483 0.665 1.00 . A A . 29 LYS NZ 1 1 10 5175 1 1 29 LYS O O 13.739 -0.285 5.730 1.00 . A A . 29 LYS O 1 1 10 5176 1 1 30 ARG C C 11.756 1.034 7.665 1.00 . A A . 30 ARG C 1 1 10 5177 1 1 30 ARG CA C 11.089 0.114 6.648 1.00 . A A . 30 ARG CA 1 1 10 5178 1 1 30 ARG CB C 11.250 -1.349 7.069 1.00 . A A . 30 ARG CB 1 1 10 5179 1 1 30 ARG CD C 10.432 -2.658 5.073 1.00 . A A . 30 ARG CD 1 1 10 5180 1 1 30 ARG CG C 10.175 -2.277 6.521 1.00 . A A . 30 ARG CG 1 1 10 5181 1 1 30 ARG CZ C 11.618 -4.707 4.362 1.00 . A A . 30 ARG CZ 1 1 10 5182 1 1 30 ARG H H 10.983 0.647 4.606 1.00 . A A . 30 ARG H 1 1 10 5183 1 1 30 ARG HA H 10.034 0.347 6.627 1.00 . A A . 30 ARG HA 1 1 10 5184 1 1 30 ARG HB2 H 12.205 -1.698 6.711 1.00 . A A . 30 ARG HB2 1 1 10 5185 1 1 30 ARG HB3 H 11.233 -1.407 8.148 1.00 . A A . 30 ARG HB3 1 1 10 5186 1 1 30 ARG HD2 H 9.574 -3.188 4.693 1.00 . A A . 30 ARG HD2 1 1 10 5187 1 1 30 ARG HD3 H 10.578 -1.756 4.497 1.00 . A A . 30 ARG HD3 1 1 10 5188 1 1 30 ARG HE H 12.461 -3.152 5.297 1.00 . A A . 30 ARG HE 1 1 10 5189 1 1 30 ARG HG2 H 10.155 -3.176 7.117 1.00 . A A . 30 ARG HG2 1 1 10 5190 1 1 30 ARG HG3 H 9.216 -1.779 6.588 1.00 . A A . 30 ARG HG3 1 1 10 5191 1 1 30 ARG HH11 H 9.627 -4.734 3.976 1.00 . A A . 30 ARG HH11 1 1 10 5192 1 1 30 ARG HH12 H 10.500 -6.141 3.468 1.00 . A A . 30 ARG HH12 1 1 10 5193 1 1 30 ARG HH21 H 13.600 -5.013 4.645 1.00 . A A . 30 ARG HH21 1 1 10 5194 1 1 30 ARG HH22 H 12.755 -6.301 3.845 1.00 . A A . 30 ARG HH22 1 1 10 5195 1 1 30 ARG N N 11.605 0.345 5.299 1.00 . A A . 30 ARG N 1 1 10 5196 1 1 30 ARG NE N 11.616 -3.504 4.938 1.00 . A A . 30 ARG NE 1 1 10 5197 1 1 30 ARG NH1 N 10.491 -5.236 3.898 1.00 . A A . 30 ARG NH1 1 1 10 5198 1 1 30 ARG NH2 N 12.749 -5.396 4.276 1.00 . A A . 30 ARG NH2 1 1 10 5199 1 1 30 ARG O O 11.203 2.119 7.930 1.00 . A A . 30 ARG O 1 1 10 5200 1 1 30 ARG OXT O 12.821 0.668 8.206 1.00 . A A . 30 ARG OXT 1 1 stop_ save_
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