NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
517444 | 2l87 | 17395 | cing | 4-filtered-FRED | STAR | entry | full | 185 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2l87 # This FRED archive file contains, for PDB entry <2l87>: # # - 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_2l87 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2l87 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2139.25 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 $C_C_chemokine_receptor_type_5 A . 1 1 stop_ save_ save_C_C_chemokine_receptor_type_5 _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "C C chemokine receptor type 5" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MDYQVSSPIXDINXYTSEPAQKINVKQ _Entity.Number_of_monomers 27 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 ASP . 1 1 3 TYR . 1 1 4 GLN . 1 1 5 VAL . 1 1 6 SER . 1 1 7 SER . 1 1 8 PRO . 1 1 9 ILE . 1 1 10 TYS $TYS 1 1 11 ASP . 1 1 12 ILE . 1 1 13 ASN . 1 1 14 TYS $TYS 1 1 15 TYR . 1 1 16 THR . 1 1 17 SER . 1 1 18 GLU . 1 1 19 PRO . 1 1 20 ALA . 1 1 21 GLN . 1 1 22 LYS . 1 1 23 ILE . 1 1 24 ASN . 1 1 25 VAL . 1 1 26 LYS . 1 1 27 GLN . 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 ASP 2 2 1 1 TYR 3 3 1 1 GLN 4 4 1 1 VAL 5 5 1 1 SER 6 6 1 1 SER 7 7 1 1 PRO 8 8 1 1 ILE 9 9 1 1 TYS 10 10 1 1 ASP 11 11 1 1 ILE 12 12 1 1 ASN 13 13 1 1 TYS 14 14 1 1 TYR 15 15 1 1 THR 16 16 1 1 SER 17 17 1 1 GLU 18 18 1 1 PRO 19 19 1 1 ALA 20 20 1 1 GLN 21 21 1 1 LYS 22 22 1 1 ILE 23 23 1 1 ASN 24 24 1 1 VAL 25 25 1 1 LYS 26 26 1 1 GLN 27 27 1 1 stop_ save_ save_TYS _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID TYS _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 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 7 SER H . 7 . HN 1 1 1 1 2 1 1 7 SER QB . 7 . HB# 1 1 2 1 1 1 1 7 SER QB . 7 . HB# 1 1 2 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1 3 1 1 1 1 7 SER QB . 7 . HB# 1 1 3 1 2 1 1 9 ILE H . 9 . HN 1 1 4 1 1 1 1 7 SER HB3 . 7 . HB1 1 1 4 1 2 1 1 10 TYS H . 10 . HN 1 1 5 1 1 1 1 8 PRO HA . 8 . HA 1 1 5 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1 6 1 1 1 1 8 PRO HA . 8 . HA 1 1 6 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1 7 1 1 1 1 8 PRO HA . 8 . HA 1 1 7 1 2 1 1 8 PRO QG . 8 . HG# 1 1 8 1 1 1 1 8 PRO HA . 8 . HA 1 1 8 1 2 1 1 9 ILE H . 9 . HN 1 1 9 1 1 1 1 8 PRO HA . 8 . HA 1 1 9 1 2 1 1 9 ILE HA . 9 . HA 1 1 10 1 1 1 1 8 PRO HA . 8 . HA 1 1 10 1 2 1 1 10 TYS H . 10 . HN 1 1 11 1 1 1 1 8 PRO HB2 . 8 . HB2 1 1 11 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1 12 1 1 1 1 8 PRO HB2 . 8 . HB2 1 1 12 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1 13 1 1 1 1 8 PRO HB2 . 8 . HB2 1 1 13 1 2 1 1 12 ILE H . 12 . HN 1 1 14 1 1 1 1 8 PRO HB3 . 8 . HB1 1 1 14 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1 15 1 1 1 1 8 PRO HB3 . 8 . HB1 1 1 15 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1 16 1 1 1 1 8 PRO HB3 . 8 . HB1 1 1 16 1 2 1 1 9 ILE H . 9 . HN 1 1 17 1 1 1 1 8 PRO HB3 . 8 . HB1 1 1 17 1 2 1 1 10 TYS H . 10 . HN 1 1 18 1 1 1 1 8 PRO HD2 . 8 . HD2 1 1 18 1 2 1 1 8 PRO QG . 8 . HG# 1 1 19 1 1 1 1 8 PRO HD2 . 8 . HD2 1 1 19 1 2 1 1 9 ILE H . 9 . HN 1 1 20 1 1 1 1 8 PRO HD2 . 8 . HD2 1 1 20 1 2 1 1 9 ILE HA . 9 . HA 1 1 21 1 1 1 1 8 PRO HD2 . 8 . HD2 1 1 21 1 2 1 1 9 ILE HB . 9 . HB 1 1 22 1 1 1 1 8 PRO HD3 . 8 . HD1 1 1 22 1 2 1 1 8 PRO QG . 8 . HG# 1 1 23 1 1 1 1 8 PRO HD3 . 8 . HD1 1 1 23 1 2 1 1 9 ILE H . 9 . HN 1 1 24 1 1 1 1 8 PRO QG . 8 . HG# 1 1 24 1 2 1 1 9 ILE H . 9 . HN 1 1 25 1 1 1 1 9 ILE H . 9 . HN 1 1 25 1 2 1 1 9 ILE HA . 9 . HA 1 1 26 1 1 1 1 9 ILE H . 9 . HN 1 1 26 1 2 1 1 9 ILE HB . 9 . HB 1 1 27 1 1 1 1 9 ILE H . 9 . HN 1 1 27 1 2 1 1 9 ILE MD . 9 . HD1# 1 1 28 1 1 1 1 9 ILE H . 9 . HN 1 1 28 1 2 1 1 9 ILE HG12 . 9 . HG12 1 1 29 1 1 1 1 9 ILE H . 9 . HN 1 1 29 1 2 1 1 9 ILE HG13 . 9 . HG11 1 1 30 1 1 1 1 9 ILE H . 9 . HN 1 1 30 1 2 1 1 9 ILE MG . 9 . HG2# 1 1 31 1 1 1 1 9 ILE H . 9 . HN 1 1 31 1 2 1 1 10 TYS H . 10 . HN 1 1 32 1 1 1 1 9 ILE HA . 9 . HA 1 1 32 1 2 1 1 9 ILE HB . 9 . HB 1 1 33 1 1 1 1 9 ILE HA . 9 . HA 1 1 33 1 2 1 1 9 ILE MD . 9 . HD1# 1 1 34 1 1 1 1 9 ILE HA . 9 . HA 1 1 34 1 2 1 1 9 ILE HG12 . 9 . HG12 1 1 35 1 1 1 1 9 ILE HA . 9 . HA 1 1 35 1 2 1 1 9 ILE HG13 . 9 . HG11 1 1 36 1 1 1 1 9 ILE HA . 9 . HA 1 1 36 1 2 1 1 10 TYS H . 10 . HN 1 1 37 1 1 1 1 9 ILE HA . 9 . HA 1 1 37 1 2 1 1 10 TYS HA . 10 . HA 1 1 38 1 1 1 1 9 ILE HA . 9 . HA 1 1 38 1 2 1 1 11 ASP H . 11 . HN 1 1 39 1 1 1 1 9 ILE HB . 9 . HB 1 1 39 1 2 1 1 10 TYS H . 10 . HN 1 1 40 1 1 1 1 9 ILE HB . 9 . HB 1 1 40 1 2 1 1 12 ILE HG13 . 12 . HG11 1 1 41 1 1 1 1 9 ILE MD . 9 . HD1# 1 1 41 1 2 1 1 10 TYS H . 10 . HN 1 1 42 1 1 1 1 9 ILE MD . 9 . HD1# 1 1 42 1 2 1 1 11 ASP H . 11 . HN 1 1 43 1 1 1 1 9 ILE MD . 9 . HD1# 1 1 43 1 2 1 1 11 ASP HA . 11 . HA 1 1 44 1 1 1 1 9 ILE MD . 9 . HD1# 1 1 44 1 2 1 1 12 ILE H . 12 . HN 1 1 45 1 1 1 1 9 ILE HG12 . 9 . HG12 1 1 45 1 2 1 1 10 TYS H . 10 . HN 1 1 46 1 1 1 1 9 ILE HG13 . 9 . HG11 1 1 46 1 2 1 1 10 TYS H . 10 . HN 1 1 47 1 1 1 1 10 TYS H . 10 . HN 1 1 47 1 2 1 1 10 TYS HA . 10 . HA 1 1 48 1 1 1 1 10 TYS H . 10 . HN 1 1 48 1 2 1 1 10 TYS HB2 . 10 . HB2 1 1 49 1 1 1 1 10 TYS H . 10 . HN 1 1 49 1 2 1 1 10 TYS HB3 . 10 . HB1 1 1 50 1 1 1 1 10 TYS H . 10 . HN 1 1 50 1 2 1 1 11 ASP H . 11 . HN 1 1 51 1 1 1 1 10 TYS H . 10 . HN 1 1 51 1 2 1 1 11 ASP HB2 . 11 . HB2 1 1 52 1 1 1 1 10 TYS HA . 10 . HA 1 1 52 1 2 1 1 12 ILE H . 12 . HN 1 1 53 1 1 1 1 10 TYS HB2 . 10 . HB2 1 1 53 1 2 1 1 10 TYS HB3 . 10 . HB1 1 1 54 1 1 1 1 10 TYS HB3 . 10 . HB1 1 1 54 1 2 1 1 11 ASP H . 11 . HN 1 1 55 1 1 1 1 10 TYS HB3 . 10 . HB1 1 1 55 1 2 1 1 12 ILE H . 12 . HN 1 1 56 1 1 1 1 11 ASP H . 11 . HN 1 1 56 1 2 1 1 11 ASP HA . 11 . HA 1 1 57 1 1 1 1 11 ASP H . 11 . HN 1 1 57 1 2 1 1 11 ASP HB2 . 11 . HB2 1 1 58 1 1 1 1 11 ASP H . 11 . HN 1 1 58 1 2 1 1 11 ASP HB3 . 11 . HB1 1 1 59 1 1 1 1 11 ASP H . 11 . HN 1 1 59 1 2 1 1 12 ILE H . 12 . HN 1 1 60 1 1 1 1 11 ASP HA . 11 . HA 1 1 60 1 2 1 1 12 ILE HB . 12 . HB 1 1 61 1 1 1 1 11 ASP HB2 . 11 . HB2 1 1 61 1 2 1 1 12 ILE H . 12 . HN 1 1 62 1 1 1 1 11 ASP HB3 . 11 . HB1 1 1 62 1 2 1 1 12 ILE H . 12 . HN 1 1 63 1 1 1 1 11 ASP HB3 . 11 . HB1 1 1 63 1 2 1 1 13 ASN H . 13 . HN 1 1 64 1 1 1 1 11 ASP HB3 . 11 . HB1 1 1 64 1 2 1 1 14 TYS H . 14 . HN 1 1 65 1 1 1 1 12 ILE H . 12 . HN 1 1 65 1 2 1 1 12 ILE HA . 12 . HA 1 1 66 1 1 1 1 12 ILE H . 12 . HN 1 1 66 1 2 1 1 12 ILE HB . 12 . HB 1 1 67 1 1 1 1 12 ILE H . 12 . HN 1 1 67 1 2 1 1 12 ILE HG12 . 12 . HG12 1 1 68 1 1 1 1 12 ILE H . 12 . HN 1 1 68 1 2 1 1 13 ASN H . 13 . HN 1 1 69 1 1 1 1 12 ILE HA . 12 . HA 1 1 69 1 2 1 1 12 ILE HB . 12 . HB 1 1 70 1 1 1 1 12 ILE HA . 12 . HA 1 1 70 1 2 1 1 12 ILE MD . 12 . HD1# 1 1 71 1 1 1 1 12 ILE HA . 12 . HA 1 1 71 1 2 1 1 12 ILE HG12 . 12 . HG12 1 1 72 1 1 1 1 12 ILE HA . 12 . HA 1 1 72 1 2 1 1 12 ILE HG13 . 12 . HG11 1 1 73 1 1 1 1 12 ILE HA . 12 . HA 1 1 73 1 2 1 1 13 ASN H . 13 . HN 1 1 74 1 1 1 1 12 ILE HA . 12 . HA 1 1 74 1 2 1 1 13 ASN HA . 13 . HA 1 1 75 1 1 1 1 12 ILE HA . 12 . HA 1 1 75 1 2 1 1 13 ASN QB . 13 . HB# 1 1 76 1 1 1 1 12 ILE HA . 12 . HA 1 1 76 1 2 1 1 14 TYS H . 14 . HN 1 1 77 1 1 1 1 12 ILE HA . 12 . HA 1 1 77 1 2 1 1 15 TYR H . 15 . HN 1 1 78 1 1 1 1 12 ILE HB . 12 . HB 1 1 78 1 2 1 1 13 ASN H . 13 . HN 1 1 79 1 1 1 1 12 ILE MD . 12 . HD1# 1 1 79 1 2 1 1 13 ASN H . 13 . HN 1 1 80 1 1 1 1 12 ILE MD . 12 . HD1# 1 1 80 1 2 1 1 13 ASN QB . 13 . HB# 1 1 81 1 1 1 1 12 ILE MD . 12 . HD1# 1 1 81 1 2 1 1 13 ASN QD . 13 . HD2# 1 1 82 1 1 1 1 12 ILE MD . 12 . HD1# 1 1 82 1 2 1 1 15 TYR QD . 15 . HD# 1 1 83 1 1 1 1 12 ILE HG12 . 12 . HG12 1 1 83 1 2 1 1 12 ILE MG . 12 . HG2# 1 1 84 1 1 1 1 12 ILE HG12 . 12 . HG12 1 1 84 1 2 1 1 13 ASN H . 13 . HN 1 1 85 1 1 1 1 12 ILE HG13 . 12 . HG11 1 1 85 1 2 1 1 13 ASN H . 13 . HN 1 1 86 1 1 1 1 12 ILE HG13 . 12 . HG11 1 1 86 1 2 1 1 15 TYR H . 15 . HN 1 1 87 1 1 1 1 13 ASN H . 13 . HN 1 1 87 1 2 1 1 13 ASN HA . 13 . HA 1 1 88 1 1 1 1 13 ASN H . 13 . HN 1 1 88 1 2 1 1 13 ASN QB . 13 . HB# 1 1 89 1 1 1 1 13 ASN H . 13 . HN 1 1 89 1 2 1 1 13 ASN QD . 13 . HD2# 1 1 90 1 1 1 1 13 ASN H . 13 . HN 1 1 90 1 2 1 1 14 TYS H . 14 . HN 1 1 91 1 1 1 1 13 ASN H . 13 . HN 1 1 91 1 2 1 1 14 TYS HA . 14 . HA 1 1 92 1 1 1 1 13 ASN HA . 13 . HA 1 1 92 1 2 1 1 13 ASN QD . 13 . HD2# 1 1 93 1 1 1 1 13 ASN HA . 13 . HA 1 1 93 1 2 1 1 14 TYS H . 14 . HN 1 1 94 1 1 1 1 13 ASN HA . 13 . HA 1 1 94 1 2 1 1 14 TYS HA . 14 . HA 1 1 95 1 1 1 1 13 ASN HA . 13 . HA 1 1 95 1 2 1 1 15 TYR H . 15 . HN 1 1 96 1 1 1 1 13 ASN HA . 13 . HA 1 1 96 1 2 1 1 16 THR H . 16 . HN 1 1 97 1 1 1 1 13 ASN HA . 13 . HA 1 1 97 1 2 1 1 16 THR HG1 . 16 . HG# 1 1 97 1 2 1 1 16 THR MG . 16 . HG# 1 1 98 1 1 1 1 13 ASN HA . 13 . HA 1 1 98 1 2 1 1 17 SER H . 17 . HN 1 1 99 1 1 1 1 13 ASN QB . 13 . HB# 1 1 99 1 2 1 1 13 ASN QD . 13 . HD2# 1 1 100 1 1 1 1 13 ASN QB . 13 . HB# 1 1 100 1 2 1 1 13 ASN HD22 . 13 . HD22 1 1 101 1 1 1 1 13 ASN QB . 13 . HB# 1 1 101 1 2 1 1 14 TYS H . 14 . HN 1 1 102 1 1 1 1 13 ASN QB . 13 . HB# 1 1 102 1 2 1 1 14 TYS HB2 . 14 . HB# 1 1 102 1 2 1 1 14 TYS HB3 . 14 . HB# 1 1 103 1 1 1 1 13 ASN QB . 13 . HB# 1 1 103 1 2 1 1 15 TYR QB . 15 . HB# 1 1 104 1 1 1 1 13 ASN QB . 13 . HB# 1 1 104 1 2 1 1 15 TYR QD . 15 . HD# 1 1 105 1 1 1 1 13 ASN QB . 13 . HB# 1 1 105 1 2 1 1 15 TYR QE . 15 . HE# 1 1 106 1 1 1 1 13 ASN QB . 13 . HB# 1 1 106 1 2 1 1 16 THR MG . 16 . HG2# 1 1 107 1 1 1 1 13 ASN QD . 13 . HD2# 1 1 107 1 2 1 1 16 THR MG . 16 . HG2# 1 1 108 1 1 1 1 14 TYS H . 14 . HN 1 1 108 1 2 1 1 14 TYS HA . 14 . HA 1 1 109 1 1 1 1 14 TYS H . 14 . HN 1 1 109 1 2 1 1 14 TYS HB2 . 14 . HB2 1 1 110 1 1 1 1 14 TYS H . 14 . HN 1 1 110 1 2 1 1 14 TYS HB3 . 14 . HB1 1 1 111 1 1 1 1 14 TYS HA . 14 . HA 1 1 111 1 2 1 1 14 TYS HB2 . 14 . HB2 1 1 112 1 1 1 1 14 TYS HA . 14 . HA 1 1 112 1 2 1 1 14 TYS HB2 . 14 . HB# 1 1 112 1 2 1 1 14 TYS HB3 . 14 . HB# 1 1 113 1 1 1 1 14 TYS HA . 14 . HA 1 1 113 1 2 1 1 14 TYS HB3 . 14 . HB1 1 1 114 1 1 1 1 14 TYS HA . 14 . HA 1 1 114 1 2 1 1 15 TYR H . 15 . HN 1 1 115 1 1 1 1 14 TYS HA . 14 . HA 1 1 115 1 2 1 1 15 TYR QD . 15 . HD# 1 1 116 1 1 1 1 14 TYS HA . 14 . HA 1 1 116 1 2 1 1 16 THR H . 16 . HN 1 1 117 1 1 1 1 14 TYS HA . 14 . HA 1 1 117 1 2 1 1 16 THR HB . 16 . HB 1 1 118 1 1 1 1 14 TYS HA . 14 . HA 1 1 118 1 2 1 1 16 THR HG1 . 16 . HG# 1 1 118 1 2 1 1 16 THR MG . 16 . HG# 1 1 119 1 1 1 1 14 TYS HB3 . 14 . HB1 1 1 119 1 2 1 1 15 TYR HA . 15 . HA 1 1 120 1 1 1 1 15 TYR H . 15 . HN 1 1 120 1 2 1 1 15 TYR HA . 15 . HA 1 1 121 1 1 1 1 15 TYR H . 15 . HN 1 1 121 1 2 1 1 15 TYR HB2 . 15 . HB2 1 1 122 1 1 1 1 15 TYR H . 15 . HN 1 1 122 1 2 1 1 15 TYR HB3 . 15 . HB1 1 1 123 1 1 1 1 15 TYR H . 15 . HN 1 1 123 1 2 1 1 15 TYR QE . 15 . HE# 1 1 124 1 1 1 1 15 TYR H . 15 . HN 1 1 124 1 2 1 1 16 THR H . 16 . HN 1 1 125 1 1 1 1 15 TYR H . 15 . HN 1 1 125 1 2 1 1 16 THR MG . 16 . HG2# 1 1 126 1 1 1 1 15 TYR HA . 15 . HA 1 1 126 1 2 1 1 16 THR H . 16 . HN 1 1 127 1 1 1 1 15 TYR HA . 15 . HA 1 1 127 1 2 1 1 16 THR HA . 16 . HA 1 1 128 1 1 1 1 15 TYR HA . 15 . HA 1 1 128 1 2 1 1 17 SER H . 17 . HN 1 1 129 1 1 1 1 15 TYR HA . 15 . HA 1 1 129 1 2 1 1 19 PRO QD . 19 . HD# 1 1 130 1 1 1 1 15 TYR HB2 . 15 . HB2 1 1 130 1 2 1 1 15 TYR QE . 15 . HE# 1 1 131 1 1 1 1 15 TYR HB2 . 15 . HB2 1 1 131 1 2 1 1 16 THR H . 16 . HN 1 1 132 1 1 1 1 15 TYR HB2 . 15 . HB2 1 1 132 1 2 1 1 16 THR MG . 16 . HG2# 1 1 133 1 1 1 1 15 TYR HB3 . 15 . HB1 1 1 133 1 2 1 1 15 TYR QD . 15 . HD# 1 1 134 1 1 1 1 15 TYR HB3 . 15 . HB1 1 1 134 1 2 1 1 15 TYR QE . 15 . HE# 1 1 135 1 1 1 1 15 TYR HB3 . 15 . HB1 1 1 135 1 2 1 1 16 THR H . 16 . HN 1 1 136 1 1 1 1 15 TYR QD . 15 . HD# 1 1 136 1 2 1 1 16 THR H . 16 . HN 1 1 137 1 1 1 1 15 TYR QD . 15 . HD# 1 1 137 1 2 1 1 16 THR MG . 16 . HG2# 1 1 138 1 1 1 1 16 THR H . 16 . HN 1 1 138 1 2 1 1 16 THR HB . 16 . HB 1 1 139 1 1 1 1 16 THR H . 16 . HN 1 1 139 1 2 1 1 16 THR MG . 16 . HG2# 1 1 140 1 1 1 1 16 THR HA . 16 . HA 1 1 140 1 2 1 1 16 THR HB . 16 . HB 1 1 141 1 1 1 1 16 THR HA . 16 . HA 1 1 141 1 2 1 1 16 THR MG . 16 . HG2# 1 1 142 1 1 1 1 16 THR HA . 16 . HA 1 1 142 1 2 1 1 17 SER H . 17 . HN 1 1 143 1 1 1 1 16 THR HA . 16 . HA 1 1 143 1 2 1 1 17 SER HA . 17 . HA 1 1 144 1 1 1 1 16 THR HA . 16 . HA 1 1 144 1 2 1 1 17 SER QB . 17 . HB# 1 1 145 1 1 1 1 16 THR HA . 16 . HA 1 1 145 1 2 1 1 19 PRO HB2 . 19 . HB2 1 1 146 1 1 1 1 16 THR HB . 16 . HB 1 1 146 1 2 1 1 17 SER H . 17 . HN 1 1 147 1 1 1 1 16 THR MG . 16 . HG2# 1 1 147 1 2 1 1 17 SER H . 17 . HN 1 1 148 1 1 1 1 16 THR MG . 16 . HG2# 1 1 148 1 2 1 1 18 GLU H . 18 . HN 1 1 149 1 1 1 1 17 SER H . 17 . HN 1 1 149 1 2 1 1 17 SER QB . 17 . HB# 1 1 150 1 1 1 1 17 SER H . 17 . HN 1 1 150 1 2 1 1 18 GLU H . 18 . HN 1 1 151 1 1 1 1 17 SER HA . 17 . HA 1 1 151 1 2 1 1 17 SER QB . 17 . HB# 1 1 152 1 1 1 1 17 SER HA . 17 . HA 1 1 152 1 2 1 1 18 GLU H . 18 . HN 1 1 153 1 1 1 1 17 SER HA . 17 . HA 1 1 153 1 2 1 1 18 GLU HA . 18 . HA 1 1 154 1 1 1 1 17 SER QB . 17 . HB# 1 1 154 1 2 1 1 18 GLU H . 18 . HN 1 1 155 1 1 1 1 17 SER QB . 17 . HB# 1 1 155 1 2 1 1 19 PRO HD2 . 19 . HD2 1 1 156 1 1 1 1 18 GLU H . 18 . HN 1 1 156 1 2 1 1 18 GLU HB2 . 18 . HB2 1 1 157 1 1 1 1 18 GLU H . 18 . HN 1 1 157 1 2 1 1 18 GLU HB3 . 18 . HB1 1 1 158 1 1 1 1 18 GLU H . 18 . HN 1 1 158 1 2 1 1 19 PRO HD2 . 19 . HD2 1 1 159 1 1 1 1 18 GLU HA . 18 . HA 1 1 159 1 2 1 1 20 ALA H . 20 . HN 1 1 160 1 1 1 1 19 PRO HA . 19 . HA 1 1 160 1 2 1 1 19 PRO HD2 . 19 . HD2 1 1 161 1 1 1 1 19 PRO HA . 19 . HA 1 1 161 1 2 1 1 19 PRO HD3 . 19 . HD1 1 1 162 1 1 1 1 19 PRO HA . 19 . HA 1 1 162 1 2 1 1 20 ALA H . 20 . HN 1 1 163 1 1 1 1 19 PRO HB2 . 19 . HB2 1 1 163 1 2 1 1 19 PRO HD2 . 19 . HD2 1 1 164 1 1 1 1 19 PRO HB2 . 19 . HB2 1 1 164 1 2 1 1 19 PRO HD3 . 19 . HD1 1 1 165 1 1 1 1 19 PRO HB3 . 19 . HB1 1 1 165 1 2 1 1 19 PRO HD2 . 19 . HD2 1 1 166 1 1 1 1 19 PRO HB3 . 19 . HB1 1 1 166 1 2 1 1 19 PRO HD3 . 19 . HD1 1 1 167 1 1 1 1 19 PRO HB3 . 19 . HB1 1 1 167 1 2 1 1 20 ALA H . 20 . HN 1 1 168 1 1 1 1 19 PRO HB3 . 19 . HB1 1 1 168 1 2 1 1 22 LYS HA . 22 . HA 1 1 169 1 1 1 1 19 PRO HD2 . 19 . HD2 1 1 169 1 2 1 1 20 ALA H . 20 . HN 1 1 170 1 1 1 1 19 PRO HD3 . 19 . HD1 1 1 170 1 2 1 1 20 ALA H . 20 . HN 1 1 171 1 1 1 1 20 ALA H . 20 . HN 1 1 171 1 2 1 1 20 ALA MB . 20 . HB# 1 1 172 1 1 1 1 20 ALA H . 20 . HN 1 1 172 1 2 1 1 21 GLN H . 21 . HN 1 1 173 1 1 1 1 20 ALA HA . 20 . HA 1 1 173 1 2 1 1 21 GLN H . 21 . HN 1 1 174 1 1 1 1 20 ALA MB . 20 . HB# 1 1 174 1 2 1 1 21 GLN H . 21 . HN 1 1 175 1 1 1 1 21 GLN H . 21 . HN 1 1 175 1 2 1 1 21 GLN HB2 . 21 . HB2 1 1 176 1 1 1 1 22 LYS H . 22 . HN 1 1 176 1 2 1 1 22 LYS HA . 22 . HA 1 1 177 1 1 1 1 22 LYS H . 22 . HN 1 1 177 1 2 1 1 22 LYS HB2 . 22 . HB2 1 1 178 1 1 1 1 22 LYS H . 22 . HN 1 1 178 1 2 1 1 22 LYS QG . 22 . HG# 1 1 179 1 1 1 1 22 LYS HA . 22 . HA 1 1 179 1 2 1 1 23 ILE HA . 23 . HA 1 1 180 1 1 1 1 22 LYS HA . 22 . HA 1 1 180 1 2 1 1 23 ILE HG13 . 23 . HG11 1 1 181 1 1 1 1 22 LYS HB2 . 22 . HB2 1 1 181 1 2 1 1 23 ILE HG13 . 23 . HG11 1 1 182 1 1 1 1 23 ILE H . 23 . HN 1 1 182 1 2 1 1 23 ILE HA . 23 . HA 1 1 183 1 1 1 1 23 ILE H . 23 . HN 1 1 183 1 2 1 1 23 ILE HB . 23 . HB 1 1 184 1 1 1 1 23 ILE H . 23 . HN 1 1 184 1 2 1 1 23 ILE MD . 23 . HD1# 1 1 185 1 1 1 1 23 ILE HA . 23 . HA 1 1 185 1 2 1 1 23 ILE HG12 . 23 . HG12 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.248 1.8 4.2224 1 1 2 1 . . . . . 3.329 1.8 4.3277 1 1 3 1 . . . . . 4.126 1.8 5.3638 1 1 4 1 . . . . . 4.585 1.8 5.9605 1 1 5 1 . . . . . 3.493 1.8 4.5409 1 1 6 1 . . . . . 3.591 1.8 4.6683 1 1 7 1 . . . . . 3.094 1.8 4.0222 1 1 8 1 . . . . . 2.2 1.8 2.86 1 1 9 1 . . . . . 4.0 1.8 5.2 1 1 10 1 . . . . . 3.882 1.8 5.0466 1 1 11 1 . . . . . 3.649 1.8 4.7437 1 1 12 1 . . . . . 3.903 1.8 5.0739 1 1 13 1 . . . . . 4.459 1.8 5.7967 1 1 14 1 . . . . . 3.947 1.8 5.1311 1 1 15 1 . . . . . 3.765 1.8 4.8945 1 1 16 1 . . . . . 3.513 1.8 4.5669 1 1 17 1 . . . . . 4.985 1.8 6.4805 1 1 18 1 . . . . . 2.584 1.8 3.3592 1 1 19 1 . . . . . 4.001 1.8 5.2013 1 1 20 1 . . . . . 3.932 1.8 5.1116 1 1 21 1 . . . . . 4.217 1.8 5.4821 1 1 22 1 . . . . . 2.431 1.8 3.1603 1 1 23 1 . . . . . 4.497 1.8 5.8461 1 1 24 1 . . . . . 3.704 1.8 4.8152 1 1 25 1 . . . . . 2.962 1.8 3.8506 1 1 26 1 . . . . . 2.869 1.8 3.7297 1 1 27 1 . . . . . 3.825 1.8 4.9725 1 1 28 1 . . . . . 3.303 1.8 4.2939 1 1 29 1 . . . . . 3.389 1.8 4.4057 1 1 30 1 . . . . . 4.486 1.8 5.8318 1 1 31 1 . . . . . 3.42 1.8 4.446 1 1 32 1 . . . . . 2.957 1.8 3.8441 1 1 33 1 . . . . . 3.924 1.8 5.1012 1 1 34 1 . . . . . 4.132 1.8 5.3716 1 1 35 1 . . . . . 3.627 1.8 4.7151 1 1 36 1 . . . . . 2.376 1.8 3.0888 1 1 37 1 . . . . . 4.0 1.8 5.2 1 1 38 1 . . . . . 3.455 1.8 4.4915 1 1 39 1 . . . . . 3.658 1.8 4.7554 1 1 40 1 . . . . . 3.251 1.8 4.2263 1 1 41 1 . . . . . 3.886 1.8 5.0518 1 1 42 1 . . . . . 4.764 1.8 6.1932 1 1 43 1 . . . . . 5.0 1.8 6.5 1 1 44 1 . . . . . 5.27 1.8 6.851 1 1 45 1 . . . . . 4.622 1.8 6.0086 1 1 46 1 . . . . . 4.458 1.8 5.7954 1 1 47 1 . . . . . 2.783 1.8 3.6179 1 1 48 1 . . . . . 2.957 1.8 3.8441 1 1 49 1 . . . . . 3.286 1.8 4.2718 1 1 50 1 . . . . . 3.727 1.8 4.8451 1 1 51 1 . . . . . 5.088 1.8 6.6144 1 1 52 1 . . . . . 2.657 1.8 3.4541 1 1 53 1 . . . . . 2.317 1.8 3.0121 1 1 54 1 . . . . . 3.538 1.8 4.5994 1 1 55 1 . . . . . 4.806 1.8 6.2478 1 1 56 1 . . . . . 2.2 1.8 2.86 1 1 57 1 . . . . . 3.109 1.8 4.0417 1 1 58 1 . . . . . 3.178 1.8 4.1314 1 1 59 1 . . . . . 3.388 1.8 4.4044 1 1 60 1 . . . . . 5.0 1.8 6.5 1 1 61 1 . . . . . 3.442 1.8 4.4746 1 1 62 1 . . . . . 3.477 1.8 4.5201 1 1 63 1 . . . . . 4.943 1.8 6.4259 1 1 64 1 . . . . . 4.186 1.8 5.4418 1 1 65 1 . . . . . 2.638 1.8 3.4294 1 1 66 1 . . . . . 3.267 1.8 4.2471 1 1 67 1 . . . . . 3.861 1.8 5.0193 1 1 68 1 . . . . . 3.551 1.8 4.6163 1 1 69 1 . . . . . 2.623 1.8 3.4099 1 1 70 1 . . . . . 3.945 1.8 5.1285 1 1 71 1 . . . . . 3.173 1.8 4.1249 1 1 72 1 . . . . . 3.301 1.8 4.2913 1 1 73 1 . . . . . 2.488 1.8 3.2344 1 1 74 1 . . . . . 4.0 1.8 5.2 1 1 75 1 . . . . . 4.0 1.8 5.2 1 1 76 1 . . . . . 4.419 1.8 5.7447 1 1 77 1 . . . . . 4.111 1.8 5.3443 1 1 78 1 . . . . . 3.751 1.8 4.8763 1 1 79 1 . . . . . 3.878 1.8 5.0414 1 1 80 1 . . . . . 3.461 1.8 4.4993 1 1 81 1 . . . . . 5.502 1.8 7.1526 1 1 82 1 . . . . . 4.241 1.8 5.5133 1 1 83 1 . . . . . 3.036 1.8 3.9468 1 1 84 1 . . . . . 4.772 1.8 6.2036 1 1 85 1 . . . . . 4.601 1.8 5.9813 1 1 86 1 . . . . . 4.807 1.8 6.2491 1 1 87 1 . . . . . 2.787 1.8 3.6231 1 1 88 1 . . . . . 2.654 1.8 3.4502 1 1 89 1 . . . . . 4.332 1.8 5.6316 1 1 90 1 . . . . . 3.806 1.8 4.9478 1 1 91 1 . . . . . 4.774 1.8 6.2062 1 1 92 1 . . . . . 3.457 1.8 4.4941 1 1 93 1 . . . . . 2.479 1.8 3.2227 1 1 94 1 . . . . . 4.0 1.8 5.2 1 1 95 1 . . . . . 2.893 1.8 3.7609 1 1 96 1 . . . . . 4.165 1.8 5.4145 1 1 97 1 . . . . . 4.0 1.8 5.2 1 1 98 1 . . . . . 3.844 1.8 4.9972 1 1 99 1 . . . . . 2.623 1.8 3.4099 1 1 100 1 . . . . . 2.835 1.8 3.6855 1 1 101 1 . . . . . 3.143 1.8 4.0859 1 1 102 1 . . . . . 3.936 1.8 5.1168 1 1 103 1 . . . . . 4.0 1.8 5.2 1 1 104 1 . . . . . 4.197 1.8 5.4561 1 1 105 1 . . . . . 3.935 1.8 5.1155 1 1 106 1 . . . . . 3.948 1.8 5.1324 1 1 107 1 . . . . . 5.89 1.8 7.657 1 1 108 1 . . . . . 2.773 1.8 3.6049 1 1 109 1 . . . . . 3.007 1.8 3.9091 1 1 110 1 . . . . . 3.043 1.8 3.9559 1 1 111 1 . . . . . 3.209 1.8 4.1717 1 1 112 1 . . . . . 3.337 1.8 4.3381 1 1 113 1 . . . . . 3.093 1.8 4.0209 1 1 114 1 . . . . . 2.52 1.8 3.276 1 1 115 1 . . . . . 3.39 1.8 4.407 1 1 116 1 . . . . . 4.866 1.8 6.3258 1 1 117 1 . . . . . 4.0 1.8 5.2 1 1 118 1 . . . . . 4.0 1.8 5.2 1 1 119 1 . . . . . 4.209 1.8 5.4717 1 1 120 1 . . . . . 2.835 1.8 3.6855 1 1 121 1 . . . . . 2.917 1.8 3.7921 1 1 122 1 . . . . . 3.153 1.8 4.0989 1 1 123 1 . . . . . 4.302 1.8 5.5926 1 1 124 1 . . . . . 3.611 1.8 4.6943 1 1 125 1 . . . . . 5.182 1.8 6.7366 1 1 126 1 . . . . . 2.782 1.8 3.6166 1 1 127 1 . . . . . 4.0 1.8 5.2 1 1 128 1 . . . . . 4.182 1.8 5.4366 1 1 129 1 . . . . . 5.0 1.8 6.5 1 1 130 1 . . . . . 3.495 1.8 4.5435 1 1 131 1 . . . . . 4.223 1.8 5.4899 1 1 132 1 . . . . . 4.737 1.8 6.1581 1 1 133 1 . . . . . 2.639 1.8 3.4307 1 1 134 1 . . . . . 3.742 1.8 4.8646 1 1 135 1 . . . . . 4.256 1.8 5.5328 1 1 136 1 . . . . . 4.562 1.8 5.9306 1 1 137 1 . . . . . 3.816 1.8 4.9608 1 1 138 1 . . . . . 3.765 1.8 4.8945 1 1 139 1 . . . . . 4.164 1.8 5.4132 1 1 140 1 . . . . . 2.615 1.8 3.3995 1 1 141 1 . . . . . 3.542 1.8 4.6046 1 1 142 1 . . . . . 2.903 1.8 3.7739 1 1 143 1 . . . . . 4.0 1.8 5.2 1 1 144 1 . . . . . 4.0 1.8 5.2 1 1 145 1 . . . . . 3.236 1.8 4.2068 1 1 146 1 . . . . . 4.023 1.8 5.2299 1 1 147 1 . . . . . 4.995 1.8 6.4935 1 1 148 1 . . . . . 5.182 1.8 6.7366 1 1 149 1 . . . . . 3.6 1.8 4.68 1 1 150 1 . . . . . 4.476 1.8 5.8188 1 1 151 1 . . . . . 2.628 1.8 3.4164 1 1 152 1 . . . . . 2.498 1.8 3.2474 1 1 153 1 . . . . . 4.0 1.8 5.2 1 1 154 1 . . . . . 3.233 1.8 4.2029 1 1 155 1 . . . . . 3.988 1.8 5.1844 1 1 156 1 . . . . . 3.462 1.8 4.5006 1 1 157 1 . . . . . 3.847 1.8 5.0011 1 1 158 1 . . . . . 4.525 1.8 5.8825 1 1 159 1 . . . . . 5.426 1.8 7.0538 1 1 160 1 . . . . . 2.945 1.8 3.8285 1 1 161 1 . . . . . 2.886 1.8 3.7518 1 1 162 1 . . . . . 4.27 1.8 5.551 1 1 163 1 . . . . . 3.247 1.8 4.2211 1 1 164 1 . . . . . 3.418 1.8 4.4434 1 1 165 1 . . . . . 3.356 1.8 4.3628 1 1 166 1 . . . . . 3.394 1.8 4.4122 1 1 167 1 . . . . . 3.559 1.8 4.6267 1 1 168 1 . . . . . 3.553 1.8 4.6189 1 1 169 1 . . . . . 4.609 1.8 5.9917 1 1 170 1 . . . . . 5.166 1.8 6.7158 1 1 171 1 . . . . . 3.088 1.8 4.0144 1 1 172 1 . . . . . 3.843 1.8 4.9959 1 1 173 1 . . . . . 2.514 1.8 3.2682 1 1 174 1 . . . . . 3.992 1.8 5.1896 1 1 175 1 . . . . . 3.374 1.8 4.3862 1 1 176 1 . . . . . 2.795 1.8 3.6335 1 1 177 1 . . . . . 4.002 1.8 5.2026 1 1 178 1 . . . . . 4.336 1.8 5.6368 1 1 179 1 . . . . . 4.226 1.8 5.4938 1 1 180 1 . . . . . 3.975 1.8 5.1675 1 1 181 1 . . . . . 3.709 1.8 4.8217 1 1 182 1 . . . . . 2.834 1.8 3.6842 1 1 183 1 . . . . . 3.388 1.8 4.4044 1 1 184 1 . . . . . 4.764 1.8 6.1932 1 1 185 1 . . . . . 3.996 1.8 5.1948 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 7 SER C C -10.686 -0.849 5.513 1.00 . A A . 7 SER C 1 1 1 2 1 1 7 SER CA C -11.905 -0.009 5.892 1.00 . A A . 7 SER CA 1 1 1 3 1 1 7 SER CB C -12.992 -0.888 6.487 1.00 . A A . 7 SER CB 1 1 1 4 1 1 7 SER H H -13.212 0.285 4.274 1.00 . A A . 7 SER H 1 1 1 5 1 1 7 SER HA H -11.599 0.718 6.626 1.00 . A A . 7 SER HA 1 1 1 6 1 1 7 SER HB2 H -13.911 -0.708 5.941 1.00 . A A . 7 SER HB2 1 1 1 7 1 1 7 SER HB3 H -12.711 -1.926 6.388 1.00 . A A . 7 SER HB3 1 1 1 8 1 1 7 SER HG H -14.145 -0.511 8.025 1.00 . A A . 7 SER HG 1 1 1 9 1 1 7 SER N N -12.475 0.699 4.763 1.00 . A A . 7 SER N 1 1 1 10 1 1 7 SER O O -9.712 -0.884 6.258 1.00 . A A . 7 SER O 1 1 1 11 1 1 7 SER OG O -13.203 -0.593 7.857 1.00 . A A . 7 SER OG 1 1 1 12 1 1 8 PRO C C -8.467 -1.516 3.309 1.00 . A A . 8 PRO C 1 1 1 13 1 1 8 PRO CA C -9.580 -2.353 3.894 1.00 . A A . 8 PRO CA 1 1 1 14 1 1 8 PRO CB C -10.190 -3.249 2.810 1.00 . A A . 8 PRO CB 1 1 1 15 1 1 8 PRO CD C -11.772 -1.535 3.365 1.00 . A A . 8 PRO CD 1 1 1 16 1 1 8 PRO CG C -11.645 -2.914 2.782 1.00 . A A . 8 PRO CG 1 1 1 17 1 1 8 PRO HA H -9.188 -2.957 4.690 1.00 . A A . 8 PRO HA 1 1 1 18 1 1 8 PRO HB2 H -9.719 -3.036 1.858 1.00 . A A . 8 PRO HB2 1 1 1 19 1 1 8 PRO HB3 H -10.031 -4.284 3.074 1.00 . A A . 8 PRO HB3 1 1 1 20 1 1 8 PRO HD2 H -11.599 -0.775 2.609 1.00 . A A . 8 PRO HD2 1 1 1 21 1 1 8 PRO HD3 H -12.734 -1.407 3.834 1.00 . A A . 8 PRO HD3 1 1 1 22 1 1 8 PRO HG2 H -12.004 -2.926 1.766 1.00 . A A . 8 PRO HG2 1 1 1 23 1 1 8 PRO HG3 H -12.189 -3.624 3.384 1.00 . A A . 8 PRO HG3 1 1 1 24 1 1 8 PRO N N -10.700 -1.526 4.347 1.00 . A A . 8 PRO N 1 1 1 25 1 1 8 PRO O O -7.715 -1.966 2.444 1.00 . A A . 8 PRO O 1 1 1 26 1 1 9 ILE C C -6.027 0.286 3.961 1.00 . A A . 9 ILE C 1 1 1 27 1 1 9 ILE CA C -7.361 0.617 3.335 1.00 . A A . 9 ILE CA 1 1 1 28 1 1 9 ILE CB C -7.758 2.069 3.636 1.00 . A A . 9 ILE CB 1 1 1 29 1 1 9 ILE CD1 C -6.238 2.708 5.587 1.00 . A A . 9 ILE CD1 1 1 1 30 1 1 9 ILE CG1 C -7.644 2.377 5.134 1.00 . A A . 9 ILE CG1 1 1 1 31 1 1 9 ILE CG2 C -9.178 2.317 3.158 1.00 . A A . 9 ILE CG2 1 1 1 32 1 1 9 ILE H H -8.999 -0.011 4.477 1.00 . A A . 9 ILE H 1 1 1 33 1 1 9 ILE HA H -7.275 0.499 2.277 1.00 . A A . 9 ILE HA 1 1 1 34 1 1 9 ILE HB H -7.104 2.712 3.083 1.00 . A A . 9 ILE HB 1 1 1 35 1 1 9 ILE HD11 H -5.946 2.030 6.376 1.00 . A A . 9 ILE HD11 1 1 1 36 1 1 9 ILE HD12 H -6.209 3.724 5.955 1.00 . A A . 9 ILE HD12 1 1 1 37 1 1 9 ILE HD13 H -5.558 2.607 4.755 1.00 . A A . 9 ILE HD13 1 1 1 38 1 1 9 ILE HG12 H -8.273 3.225 5.369 1.00 . A A . 9 ILE HG12 1 1 1 39 1 1 9 ILE HG13 H -7.979 1.514 5.697 1.00 . A A . 9 ILE HG13 1 1 1 40 1 1 9 ILE HG21 H -9.809 1.498 3.476 1.00 . A A . 9 ILE HG21 1 1 1 41 1 1 9 ILE HG22 H -9.188 2.384 2.080 1.00 . A A . 9 ILE HG22 1 1 1 42 1 1 9 ILE HG23 H -9.544 3.240 3.582 1.00 . A A . 9 ILE HG23 1 1 1 43 1 1 9 ILE N N -8.373 -0.299 3.791 1.00 . A A . 9 ILE N 1 1 1 44 1 1 9 ILE O O -4.973 0.610 3.423 1.00 . A A . 9 ILE O 1 1 1 45 1 1 10 TYS C C -4.149 -1.874 4.993 1.00 . A A . 10 TYS C 1 1 1 46 1 1 10 TYS CA C -4.866 -0.785 5.782 1.00 . A A . 10 TYS CA 1 1 1 47 1 1 10 TYS CB C -5.122 -1.258 7.217 1.00 . A A . 10 TYS CB 1 1 1 48 1 1 10 TYS CD1 C -7.169 -2.626 6.688 1.00 . A A . 10 TYS CD1 1 1 1 49 1 1 10 TYS CD2 C -7.155 -1.257 8.625 1.00 . A A . 10 TYS CD2 1 1 1 50 1 1 10 TYS CE1 C -8.445 -3.053 6.996 1.00 . A A . 10 TYS CE1 1 1 1 51 1 1 10 TYS CE2 C -8.421 -1.666 8.941 1.00 . A A . 10 TYS CE2 1 1 1 52 1 1 10 TYS CG C -6.513 -1.723 7.503 1.00 . A A . 10 TYS CG 1 1 1 53 1 1 10 TYS CZ C -9.072 -2.569 8.128 1.00 . A A . 10 TYS CZ 1 1 1 54 1 1 10 TYS H H -6.965 -0.617 5.455 1.00 . A A . 10 TYS H 1 1 1 55 1 1 10 TYS HA H -4.229 0.075 5.818 1.00 . A A . 10 TYS HA 1 1 1 56 1 1 10 TYS HB2 H -4.923 -0.442 7.896 1.00 . A A . 10 TYS HB2 1 1 1 57 1 1 10 TYS HB3 H -4.455 -2.073 7.444 1.00 . A A . 10 TYS HB3 1 1 1 58 1 1 10 TYS HD1 H -6.676 -2.990 5.799 1.00 . A A . 10 TYS HD1 1 1 1 59 1 1 10 TYS HD2 H -6.645 -0.547 9.257 1.00 . A A . 10 TYS HD2 1 1 1 60 1 1 10 TYS HE1 H -8.947 -3.752 6.353 1.00 . A A . 10 TYS HE1 1 1 1 61 1 1 10 TYS HE2 H -8.893 -1.276 9.819 1.00 . A A . 10 TYS HE2 1 1 1 62 1 1 10 TYS N N -6.086 -0.382 5.094 1.00 . A A . 10 TYS N 1 1 1 63 1 1 10 TYS O O -2.938 -2.054 5.120 1.00 . A A . 10 TYS O 1 1 1 64 1 1 10 TYS O1 O -9.064 -5.386 8.373 1.00 . A A . 10 TYS O1 1 1 1 65 1 1 10 TYS O2 O -10.746 -4.926 10.146 1.00 . A A . 10 TYS O2 1 1 1 66 1 1 10 TYS O3 O -11.424 -5.008 7.820 1.00 . A A . 10 TYS O3 1 1 1 67 1 1 10 TYS OH O -10.249 -3.141 8.550 1.00 . A A . 10 TYS OH 1 1 1 68 1 1 10 TYS S S -10.289 -4.655 8.754 1.00 . A A . 10 TYS S 1 1 1 69 1 1 11 ASP C C -3.823 -3.110 2.017 1.00 . A A . 11 ASP C 1 1 1 70 1 1 11 ASP CA C -4.345 -3.653 3.347 1.00 . A A . 11 ASP CA 1 1 1 71 1 1 11 ASP CB C -5.396 -4.735 3.088 1.00 . A A . 11 ASP CB 1 1 1 72 1 1 11 ASP CG C -5.489 -5.735 4.225 1.00 . A A . 11 ASP CG 1 1 1 73 1 1 11 ASP H H -5.862 -2.397 4.104 1.00 . A A . 11 ASP H 1 1 1 74 1 1 11 ASP HA H -3.523 -4.090 3.891 1.00 . A A . 11 ASP HA 1 1 1 75 1 1 11 ASP HB2 H -6.364 -4.266 2.967 1.00 . A A . 11 ASP HB2 1 1 1 76 1 1 11 ASP HB3 H -5.138 -5.269 2.182 1.00 . A A . 11 ASP HB3 1 1 1 77 1 1 11 ASP N N -4.906 -2.592 4.167 1.00 . A A . 11 ASP N 1 1 1 78 1 1 11 ASP O O -3.387 -3.877 1.158 1.00 . A A . 11 ASP O 1 1 1 79 1 1 11 ASP OD1 O -4.438 -6.276 4.625 1.00 . A A . 11 ASP OD1 1 1 1 80 1 1 11 ASP OD2 O -6.612 -5.976 4.712 1.00 . A A . 11 ASP OD2 1 1 1 81 1 1 12 ILE C C -1.893 -0.903 0.640 1.00 . A A . 12 ILE C 1 1 1 82 1 1 12 ILE CA C -3.397 -1.175 0.602 1.00 . A A . 12 ILE CA 1 1 1 83 1 1 12 ILE CB C -4.153 0.131 0.274 1.00 . A A . 12 ILE CB 1 1 1 84 1 1 12 ILE CD1 C -2.561 2.097 0.557 1.00 . A A . 12 ILE CD1 1 1 1 85 1 1 12 ILE CG1 C -3.680 1.280 1.165 1.00 . A A . 12 ILE CG1 1 1 1 86 1 1 12 ILE CG2 C -5.653 -0.072 0.420 1.00 . A A . 12 ILE CG2 1 1 1 87 1 1 12 ILE H H -4.229 -1.216 2.555 1.00 . A A . 12 ILE H 1 1 1 88 1 1 12 ILE HA H -3.592 -1.873 -0.194 1.00 . A A . 12 ILE HA 1 1 1 89 1 1 12 ILE HB H -3.952 0.383 -0.757 1.00 . A A . 12 ILE HB 1 1 1 90 1 1 12 ILE HD11 H -2.558 1.964 -0.514 1.00 . A A . 12 ILE HD11 1 1 1 91 1 1 12 ILE HD12 H -1.615 1.769 0.963 1.00 . A A . 12 ILE HD12 1 1 1 92 1 1 12 ILE HD13 H -2.709 3.142 0.790 1.00 . A A . 12 ILE HD13 1 1 1 93 1 1 12 ILE HG12 H -4.509 1.941 1.347 1.00 . A A . 12 ILE HG12 1 1 1 94 1 1 12 ILE HG13 H -3.331 0.882 2.104 1.00 . A A . 12 ILE HG13 1 1 1 95 1 1 12 ILE HG21 H -5.847 -0.785 1.207 1.00 . A A . 12 ILE HG21 1 1 1 96 1 1 12 ILE HG22 H -6.058 -0.444 -0.510 1.00 . A A . 12 ILE HG22 1 1 1 97 1 1 12 ILE HG23 H -6.122 0.869 0.664 1.00 . A A . 12 ILE HG23 1 1 1 98 1 1 12 ILE N N -3.869 -1.787 1.842 1.00 . A A . 12 ILE N 1 1 1 99 1 1 12 ILE O O -1.349 -0.257 -0.257 1.00 . A A . 12 ILE O 1 1 1 100 1 1 13 ASN C C 0.985 -2.311 1.087 1.00 . A A . 13 ASN C 1 1 1 101 1 1 13 ASN CA C 0.217 -1.225 1.813 1.00 . A A . 13 ASN CA 1 1 1 102 1 1 13 ASN CB C 0.613 -1.206 3.286 1.00 . A A . 13 ASN CB 1 1 1 103 1 1 13 ASN CG C -0.032 -0.064 4.046 1.00 . A A . 13 ASN CG 1 1 1 104 1 1 13 ASN H H -1.704 -1.919 2.354 1.00 . A A . 13 ASN H 1 1 1 105 1 1 13 ASN HA H 0.484 -0.283 1.369 1.00 . A A . 13 ASN HA 1 1 1 106 1 1 13 ASN HB2 H 0.311 -2.135 3.743 1.00 . A A . 13 ASN HB2 1 1 1 107 1 1 13 ASN HB3 H 1.685 -1.104 3.358 1.00 . A A . 13 ASN HB3 1 1 1 108 1 1 13 ASN HD21 H 1.005 -0.532 5.677 1.00 . A A . 13 ASN HD21 1 1 1 109 1 1 13 ASN HD22 H -0.058 0.821 5.827 1.00 . A A . 13 ASN HD22 1 1 1 110 1 1 13 ASN N N -1.223 -1.406 1.673 1.00 . A A . 13 ASN N 1 1 1 111 1 1 13 ASN ND2 N 0.343 0.091 5.311 1.00 . A A . 13 ASN ND2 1 1 1 112 1 1 13 ASN O O 2.192 -2.442 1.264 1.00 . A A . 13 ASN O 1 1 1 113 1 1 13 ASN OD1 O -0.857 0.671 3.504 1.00 . A A . 13 ASN OD1 1 1 1 114 1 1 14 TYS C C 2.053 -3.568 -1.389 1.00 . A A . 14 TYS C 1 1 1 115 1 1 14 TYS CA C 0.960 -4.135 -0.491 1.00 . A A . 14 TYS CA 1 1 1 116 1 1 14 TYS CB C -0.039 -4.967 -1.307 1.00 . A A . 14 TYS CB 1 1 1 117 1 1 14 TYS CD1 C -2.208 -4.777 -2.539 1.00 . A A . 14 TYS CD1 1 1 1 118 1 1 14 TYS CD2 C -0.927 -2.800 -2.241 1.00 . A A . 14 TYS CD2 1 1 1 119 1 1 14 TYS CE1 C -3.169 -4.063 -3.212 1.00 . A A . 14 TYS CE1 1 1 1 120 1 1 14 TYS CE2 C -1.884 -2.071 -2.915 1.00 . A A . 14 TYS CE2 1 1 1 121 1 1 14 TYS CG C -1.074 -4.161 -2.044 1.00 . A A . 14 TYS CG 1 1 1 122 1 1 14 TYS CZ C -3.007 -2.706 -3.403 1.00 . A A . 14 TYS CZ 1 1 1 123 1 1 14 TYS H H -0.663 -2.936 0.136 1.00 . A A . 14 TYS H 1 1 1 124 1 1 14 TYS HA H 1.431 -4.768 0.233 1.00 . A A . 14 TYS HA 1 1 1 125 1 1 14 TYS HB2 H -0.567 -5.634 -0.646 1.00 . A A . 14 TYS HB2 1 1 1 126 1 1 14 TYS HB3 H 0.501 -5.549 -2.036 1.00 . A A . 14 TYS HB3 1 1 1 127 1 1 14 TYS HD1 H -2.333 -5.839 -2.390 1.00 . A A . 14 TYS HD1 1 1 1 128 1 1 14 TYS HD2 H -0.049 -2.312 -1.853 1.00 . A A . 14 TYS HD2 1 1 1 129 1 1 14 TYS HE1 H -4.041 -4.568 -3.585 1.00 . A A . 14 TYS HE1 1 1 1 130 1 1 14 TYS HE2 H -1.750 -1.011 -3.059 1.00 . A A . 14 TYS HE2 1 1 1 131 1 1 14 TYS N N 0.295 -3.082 0.254 1.00 . A A . 14 TYS N 1 1 1 132 1 1 14 TYS O O 2.889 -4.312 -1.902 1.00 . A A . 14 TYS O 1 1 1 133 1 1 14 TYS O1 O -3.695 0.177 -3.010 1.00 . A A . 14 TYS O1 1 1 1 134 1 1 14 TYS O2 O -5.778 -1.182 -3.026 1.00 . A A . 14 TYS O2 1 1 1 135 1 1 14 TYS O3 O -4.971 -0.173 -5.077 1.00 . A A . 14 TYS O3 1 1 1 136 1 1 14 TYS OH O -3.848 -2.035 -4.260 1.00 . A A . 14 TYS OH 1 1 1 137 1 1 14 TYS S S -4.546 -0.772 -3.756 1.00 . A A . 14 TYS S 1 1 1 138 1 1 15 TYR C C 4.456 -1.909 -1.693 1.00 . A A . 15 TYR C 1 1 1 139 1 1 15 TYR CA C 3.111 -1.599 -2.334 1.00 . A A . 15 TYR CA 1 1 1 140 1 1 15 TYR CB C 2.868 -0.085 -2.393 1.00 . A A . 15 TYR CB 1 1 1 141 1 1 15 TYR CD1 C 3.039 0.380 0.084 1.00 . A A . 15 TYR CD1 1 1 1 142 1 1 15 TYR CD2 C 4.354 1.703 -1.400 1.00 . A A . 15 TYR CD2 1 1 1 143 1 1 15 TYR CE1 C 3.550 1.076 1.163 1.00 . A A . 15 TYR CE1 1 1 1 144 1 1 15 TYR CE2 C 4.871 2.402 -0.327 1.00 . A A . 15 TYR CE2 1 1 1 145 1 1 15 TYR CG C 3.431 0.682 -1.214 1.00 . A A . 15 TYR CG 1 1 1 146 1 1 15 TYR CZ C 4.466 2.084 0.953 1.00 . A A . 15 TYR CZ 1 1 1 147 1 1 15 TYR H H 1.415 -1.693 -1.083 1.00 . A A . 15 TYR H 1 1 1 148 1 1 15 TYR HA H 3.085 -2.013 -3.331 1.00 . A A . 15 TYR HA 1 1 1 149 1 1 15 TYR HB2 H 3.323 0.310 -3.290 1.00 . A A . 15 TYR HB2 1 1 1 150 1 1 15 TYR HB3 H 1.801 0.095 -2.424 1.00 . A A . 15 TYR HB3 1 1 1 151 1 1 15 TYR HD1 H 2.322 -0.412 0.246 1.00 . A A . 15 TYR HD1 1 1 1 152 1 1 15 TYR HD2 H 4.669 1.948 -2.404 1.00 . A A . 15 TYR HD2 1 1 1 153 1 1 15 TYR HE1 H 3.233 0.827 2.165 1.00 . A A . 15 TYR HE1 1 1 1 154 1 1 15 TYR HE2 H 5.588 3.193 -0.491 1.00 . A A . 15 TYR HE2 1 1 1 155 1 1 15 TYR HH H 5.154 2.168 2.745 1.00 . A A . 15 TYR HH 1 1 1 156 1 1 15 TYR N N 2.079 -2.244 -1.541 1.00 . A A . 15 TYR N 1 1 1 157 1 1 15 TYR O O 5.489 -1.973 -2.358 1.00 . A A . 15 TYR O 1 1 1 158 1 1 15 TYR OH O 4.978 2.777 2.025 1.00 . A A . 15 TYR OH 1 1 1 159 1 1 16 THR C C 5.770 -3.966 0.412 1.00 . A A . 16 THR C 1 1 1 160 1 1 16 THR CA C 5.563 -2.461 0.413 1.00 . A A . 16 THR CA 1 1 1 161 1 1 16 THR CB C 5.359 -1.952 1.842 1.00 . A A . 16 THR CB 1 1 1 162 1 1 16 THR CG2 C 4.474 -2.847 2.687 1.00 . A A . 16 THR CG2 1 1 1 163 1 1 16 THR H H 3.533 -2.066 0.066 1.00 . A A . 16 THR H 1 1 1 164 1 1 16 THR HA H 6.424 -1.985 -0.022 1.00 . A A . 16 THR HA 1 1 1 165 1 1 16 THR HB H 4.882 -0.985 1.791 1.00 . A A . 16 THR HB 1 1 1 166 1 1 16 THR HG1 H 7.087 -2.634 2.462 1.00 . A A . 16 THR HG1 1 1 1 167 1 1 16 THR HG21 H 3.877 -2.239 3.350 1.00 . A A . 16 THR HG21 1 1 1 168 1 1 16 THR HG22 H 5.088 -3.518 3.268 1.00 . A A . 16 THR HG22 1 1 1 169 1 1 16 THR HG23 H 3.822 -3.420 2.044 1.00 . A A . 16 THR HG23 1 1 1 170 1 1 16 THR N N 4.400 -2.122 -0.383 1.00 . A A . 16 THR N 1 1 1 171 1 1 16 THR O O 6.898 -4.456 0.471 1.00 . A A . 16 THR O 1 1 1 172 1 1 16 THR OG1 O 6.598 -1.808 2.512 1.00 . A A . 16 THR OG1 1 1 1 173 1 1 17 SER C C 5.277 -6.706 -0.938 1.00 . A A . 17 SER C 1 1 1 174 1 1 17 SER CA C 4.703 -6.149 0.360 1.00 . A A . 17 SER CA 1 1 1 175 1 1 17 SER CB C 3.306 -6.712 0.591 1.00 . A A . 17 SER CB 1 1 1 176 1 1 17 SER H H 3.785 -4.230 0.323 1.00 . A A . 17 SER H 1 1 1 177 1 1 17 SER HA H 5.341 -6.454 1.171 1.00 . A A . 17 SER HA 1 1 1 178 1 1 17 SER HB2 H 2.594 -6.112 0.048 1.00 . A A . 17 SER HB2 1 1 1 179 1 1 17 SER HB3 H 3.267 -7.729 0.234 1.00 . A A . 17 SER HB3 1 1 1 180 1 1 17 SER HG H 3.314 -7.480 2.392 1.00 . A A . 17 SER HG 1 1 1 181 1 1 17 SER N N 4.661 -4.693 0.357 1.00 . A A . 17 SER N 1 1 1 182 1 1 17 SER O O 5.589 -7.894 -1.025 1.00 . A A . 17 SER O 1 1 1 183 1 1 17 SER OG O 2.965 -6.695 1.966 1.00 . A A . 17 SER OG 1 1 1 184 1 1 18 GLU C C 7.490 -6.261 -3.190 1.00 . A A . 18 GLU C 1 1 1 185 1 1 18 GLU CA C 5.962 -6.277 -3.223 1.00 . A A . 18 GLU CA 1 1 1 186 1 1 18 GLU CB C 5.441 -5.388 -4.356 1.00 . A A . 18 GLU CB 1 1 1 187 1 1 18 GLU CD C 5.347 -6.011 -6.805 1.00 . A A . 18 GLU CD 1 1 1 188 1 1 18 GLU CG C 4.700 -6.156 -5.440 1.00 . A A . 18 GLU CG 1 1 1 189 1 1 18 GLU H H 5.159 -4.918 -1.812 1.00 . A A . 18 GLU H 1 1 1 190 1 1 18 GLU HA H 5.634 -7.292 -3.395 1.00 . A A . 18 GLU HA 1 1 1 191 1 1 18 GLU HB2 H 4.766 -4.655 -3.940 1.00 . A A . 18 GLU HB2 1 1 1 192 1 1 18 GLU HB3 H 6.275 -4.877 -4.812 1.00 . A A . 18 GLU HB3 1 1 1 193 1 1 18 GLU HG2 H 4.686 -7.203 -5.176 1.00 . A A . 18 GLU HG2 1 1 1 194 1 1 18 GLU HG3 H 3.688 -5.786 -5.496 1.00 . A A . 18 GLU HG3 1 1 1 195 1 1 18 GLU N N 5.419 -5.851 -1.939 1.00 . A A . 18 GLU N 1 1 1 196 1 1 18 GLU O O 8.130 -7.287 -3.418 1.00 . A A . 18 GLU O 1 1 1 197 1 1 18 GLU OE1 O 5.220 -4.925 -7.408 1.00 . A A . 18 GLU OE1 1 1 1 198 1 1 18 GLU OE2 O 5.980 -6.983 -7.268 1.00 . A A . 18 GLU OE2 1 1 1 199 1 1 19 PRO C C 10.175 -5.632 -1.622 1.00 . A A . 19 PRO C 1 1 1 200 1 1 19 PRO CA C 9.556 -4.955 -2.846 1.00 . A A . 19 PRO CA 1 1 1 201 1 1 19 PRO CB C 9.781 -3.437 -2.769 1.00 . A A . 19 PRO CB 1 1 1 202 1 1 19 PRO CD C 7.436 -3.821 -2.632 1.00 . A A . 19 PRO CD 1 1 1 203 1 1 19 PRO CG C 8.460 -2.824 -3.081 1.00 . A A . 19 PRO CG 1 1 1 204 1 1 19 PRO HA H 10.013 -5.338 -3.738 1.00 . A A . 19 PRO HA 1 1 1 205 1 1 19 PRO HB2 H 10.109 -3.170 -1.771 1.00 . A A . 19 PRO HB2 1 1 1 206 1 1 19 PRO HB3 H 10.531 -3.149 -3.492 1.00 . A A . 19 PRO HB3 1 1 1 207 1 1 19 PRO HD2 H 7.230 -3.707 -1.581 1.00 . A A . 19 PRO HD2 1 1 1 208 1 1 19 PRO HD3 H 6.539 -3.723 -3.213 1.00 . A A . 19 PRO HD3 1 1 1 209 1 1 19 PRO HG2 H 8.346 -1.897 -2.538 1.00 . A A . 19 PRO HG2 1 1 1 210 1 1 19 PRO HG3 H 8.376 -2.650 -4.144 1.00 . A A . 19 PRO HG3 1 1 1 211 1 1 19 PRO N N 8.100 -5.095 -2.905 1.00 . A A . 19 PRO N 1 1 1 212 1 1 19 PRO O O 11.054 -5.064 -0.974 1.00 . A A . 19 PRO O 1 1 1 213 1 1 20 ALA C C 11.763 -7.709 -0.259 1.00 . A A . 20 ALA C 1 1 1 214 1 1 20 ALA CA C 10.252 -7.575 -0.164 1.00 . A A . 20 ALA CA 1 1 1 215 1 1 20 ALA CB C 9.598 -8.946 -0.063 1.00 . A A . 20 ALA CB 1 1 1 216 1 1 20 ALA H H 9.028 -7.252 -1.857 1.00 . A A . 20 ALA H 1 1 1 217 1 1 20 ALA HA H 10.011 -7.020 0.720 1.00 . A A . 20 ALA HA 1 1 1 218 1 1 20 ALA HB1 H 9.651 -9.441 -1.021 1.00 . A A . 20 ALA HB1 1 1 1 219 1 1 20 ALA HB2 H 8.564 -8.831 0.226 1.00 . A A . 20 ALA HB2 1 1 1 220 1 1 20 ALA HB3 H 10.115 -9.538 0.677 1.00 . A A . 20 ALA HB3 1 1 1 221 1 1 20 ALA N N 9.724 -6.843 -1.310 1.00 . A A . 20 ALA N 1 1 1 222 1 1 20 ALA O O 12.466 -7.751 0.752 1.00 . A A . 20 ALA O 1 1 1 223 1 1 21 GLN C C 14.328 -6.498 -1.797 1.00 . A A . 21 GLN C 1 1 1 224 1 1 21 GLN CA C 13.680 -7.877 -1.746 1.00 . A A . 21 GLN CA 1 1 1 225 1 1 21 GLN CB C 13.923 -8.620 -3.061 1.00 . A A . 21 GLN CB 1 1 1 226 1 1 21 GLN CD C 12.589 -10.247 -4.462 1.00 . A A . 21 GLN CD 1 1 1 227 1 1 21 GLN CG C 13.249 -9.981 -3.123 1.00 . A A . 21 GLN CG 1 1 1 228 1 1 21 GLN H H 11.630 -7.713 -2.239 1.00 . A A . 21 GLN H 1 1 1 229 1 1 21 GLN HA H 14.120 -8.440 -0.937 1.00 . A A . 21 GLN HA 1 1 1 230 1 1 21 GLN HB2 H 13.547 -8.019 -3.876 1.00 . A A . 21 GLN HB2 1 1 1 231 1 1 21 GLN HE21 H 13.831 -11.761 -4.802 1.00 . A A . 21 GLN HE21 1 1 1 232 1 1 21 GLN HE22 H 12.673 -11.446 -6.045 1.00 . A A . 21 GLN HE22 1 1 1 233 1 1 21 GLN HG2 H 13.992 -10.745 -2.947 1.00 . A A . 21 GLN HG2 1 1 1 234 1 1 21 GLN N N 12.252 -7.762 -1.486 1.00 . A A . 21 GLN N 1 1 1 235 1 1 21 GLN NE2 N 13.082 -11.252 -5.175 1.00 . A A . 21 GLN NE2 1 1 1 236 1 1 21 GLN O O 15.469 -6.319 -1.372 1.00 . A A . 21 GLN O 1 1 1 237 1 1 21 GLN OE1 O 11.648 -9.555 -4.851 1.00 . A A . 21 GLN OE1 1 1 1 238 1 1 22 LYS C C 14.259 -3.530 -1.051 1.00 . A A . 22 LYS C 1 1 1 239 1 1 22 LYS CA C 14.084 -4.157 -2.430 1.00 . A A . 22 LYS CA 1 1 1 240 1 1 22 LYS CB C 13.126 -3.310 -3.269 1.00 . A A . 22 LYS CB 1 1 1 241 1 1 22 LYS CD C 12.205 -3.014 -5.589 1.00 . A A . 22 LYS CD 1 1 1 242 1 1 22 LYS CE C 10.959 -3.482 -6.322 1.00 . A A . 22 LYS CE 1 1 1 243 1 1 22 LYS CG C 12.633 -4.011 -4.524 1.00 . A A . 22 LYS CG 1 1 1 244 1 1 22 LYS H H 12.686 -5.732 -2.642 1.00 . A A . 22 LYS H 1 1 1 245 1 1 22 LYS HA H 15.042 -4.191 -2.923 1.00 . A A . 22 LYS HA 1 1 1 246 1 1 22 LYS HB2 H 12.270 -3.053 -2.664 1.00 . A A . 22 LYS HB2 1 1 1 247 1 1 22 LYS HB3 H 13.632 -2.402 -3.564 1.00 . A A . 22 LYS HB3 1 1 1 248 1 1 22 LYS HD2 H 11.998 -2.064 -5.117 1.00 . A A . 22 LYS HD2 1 1 1 249 1 1 22 LYS HD3 H 13.009 -2.896 -6.301 1.00 . A A . 22 LYS HD3 1 1 1 250 1 1 22 LYS HE2 H 11.257 -3.961 -7.243 1.00 . A A . 22 LYS HE2 1 1 1 251 1 1 22 LYS HE3 H 10.437 -4.194 -5.699 1.00 . A A . 22 LYS HE3 1 1 1 252 1 1 22 LYS HG2 H 13.429 -4.623 -4.919 1.00 . A A . 22 LYS HG2 1 1 1 253 1 1 22 LYS HG3 H 11.788 -4.634 -4.268 1.00 . A A . 22 LYS HG3 1 1 1 254 1 1 22 LYS HZ1 H 10.195 -1.569 -5.971 1.00 . A A . 22 LYS HZ1 1 1 1 255 1 1 22 LYS HZ2 H 9.053 -2.665 -6.571 1.00 . A A . 22 LYS HZ2 1 1 1 256 1 1 22 LYS HZ3 H 10.220 -2.008 -7.604 1.00 . A A . 22 LYS HZ3 1 1 1 257 1 1 22 LYS N N 13.588 -5.524 -2.322 1.00 . A A . 22 LYS N 1 1 1 258 1 1 22 LYS NZ N 10.043 -2.352 -6.639 1.00 . A A . 22 LYS NZ 1 1 1 259 1 1 22 LYS O O 15.232 -2.819 -0.801 1.00 . A A . 22 LYS O 1 1 1 260 1 1 23 ILE C C 13.943 -4.277 2.168 1.00 . A A . 23 ILE C 1 1 1 261 1 1 23 ILE CA C 13.357 -3.260 1.192 1.00 . A A . 23 ILE CA 1 1 1 262 1 1 23 ILE CB C 11.956 -2.842 1.683 1.00 . A A . 23 ILE CB 1 1 1 263 1 1 23 ILE CD1 C 9.740 -2.195 0.609 1.00 . A A . 23 ILE CD1 1 1 1 264 1 1 23 ILE CG1 C 11.241 -2.007 0.617 1.00 . A A . 23 ILE CG1 1 1 1 265 1 1 23 ILE CG2 C 12.060 -2.063 2.988 1.00 . A A . 23 ILE CG2 1 1 1 266 1 1 23 ILE H H 12.558 -4.372 -0.422 1.00 . A A . 23 ILE H 1 1 1 267 1 1 23 ILE HA H 13.988 -2.383 1.180 1.00 . A A . 23 ILE HA 1 1 1 268 1 1 23 ILE HB H 11.384 -3.737 1.873 1.00 . A A . 23 ILE HB 1 1 1 269 1 1 23 ILE HD11 H 9.291 -1.487 -0.074 1.00 . A A . 23 ILE HD11 1 1 1 270 1 1 23 ILE HD12 H 9.351 -2.032 1.603 1.00 . A A . 23 ILE HD12 1 1 1 271 1 1 23 ILE HD13 H 9.505 -3.200 0.290 1.00 . A A . 23 ILE HD13 1 1 1 272 1 1 23 ILE HG12 H 11.442 -0.961 0.793 1.00 . A A . 23 ILE HG12 1 1 1 273 1 1 23 ILE HG13 H 11.615 -2.280 -0.358 1.00 . A A . 23 ILE HG13 1 1 1 274 1 1 23 ILE HG21 H 13.076 -2.104 3.353 1.00 . A A . 23 ILE HG21 1 1 1 275 1 1 23 ILE HG22 H 11.398 -2.500 3.721 1.00 . A A . 23 ILE HG22 1 1 1 276 1 1 23 ILE HG23 H 11.780 -1.034 2.818 1.00 . A A . 23 ILE HG23 1 1 1 277 1 1 23 ILE N N 13.310 -3.800 -0.161 1.00 . A A . 23 ILE N 1 1 1 278 1 1 23 ILE O O 13.608 -4.280 3.353 1.00 . A A . 23 ILE O 1 1 2 279 1 1 7 SER C C -8.798 0.723 5.993 1.00 . A A . 7 SER C 1 1 2 280 1 1 7 SER CA C -9.343 1.861 6.837 1.00 . A A . 7 SER CA 1 1 2 281 1 1 7 SER CB C -10.637 1.453 7.522 1.00 . A A . 7 SER CB 1 1 2 282 1 1 7 SER H H -10.537 3.348 5.953 1.00 . A A . 7 SER H 1 1 2 283 1 1 7 SER HA H -8.607 2.110 7.582 1.00 . A A . 7 SER HA 1 1 2 284 1 1 7 SER HB2 H -11.418 2.137 7.207 1.00 . A A . 7 SER HB2 1 1 2 285 1 1 7 SER HB3 H -10.899 0.447 7.230 1.00 . A A . 7 SER HB3 1 1 2 286 1 1 7 SER HG H -9.653 1.185 9.196 1.00 . A A . 7 SER HG 1 1 2 287 1 1 7 SER N N -9.611 3.042 6.040 1.00 . A A . 7 SER N 1 1 2 288 1 1 7 SER O O -7.813 0.094 6.371 1.00 . A A . 7 SER O 1 1 2 289 1 1 7 SER OG O -10.517 1.511 8.934 1.00 . A A . 7 SER OG 1 1 2 290 1 1 8 PRO C C -7.543 -0.395 3.415 1.00 . A A . 8 PRO C 1 1 2 291 1 1 8 PRO CA C -8.947 -0.644 3.956 1.00 . A A . 8 PRO CA 1 1 2 292 1 1 8 PRO CB C -9.971 -0.661 2.817 1.00 . A A . 8 PRO CB 1 1 2 293 1 1 8 PRO CD C -10.585 1.123 4.282 1.00 . A A . 8 PRO CD 1 1 2 294 1 1 8 PRO CG C -11.143 0.106 3.330 1.00 . A A . 8 PRO CG 1 1 2 295 1 1 8 PRO HA H -8.957 -1.588 4.470 1.00 . A A . 8 PRO HA 1 1 2 296 1 1 8 PRO HB2 H -9.543 -0.189 1.942 1.00 . A A . 8 PRO HB2 1 1 2 297 1 1 8 PRO HB3 H -10.237 -1.683 2.589 1.00 . A A . 8 PRO HB3 1 1 2 298 1 1 8 PRO HD2 H -10.296 2.020 3.752 1.00 . A A . 8 PRO HD2 1 1 2 299 1 1 8 PRO HD3 H -11.300 1.351 5.058 1.00 . A A . 8 PRO HD3 1 1 2 300 1 1 8 PRO HG2 H -11.650 0.596 2.511 1.00 . A A . 8 PRO HG2 1 1 2 301 1 1 8 PRO HG3 H -11.820 -0.559 3.846 1.00 . A A . 8 PRO HG3 1 1 2 302 1 1 8 PRO N N -9.410 0.434 4.834 1.00 . A A . 8 PRO N 1 1 2 303 1 1 8 PRO O O -7.166 -0.911 2.363 1.00 . A A . 8 PRO O 1 1 2 304 1 1 9 ILE C C -4.480 -0.428 4.115 1.00 . A A . 9 ILE C 1 1 2 305 1 1 9 ILE CA C -5.422 0.719 3.798 1.00 . A A . 9 ILE CA 1 1 2 306 1 1 9 ILE CB C -4.968 1.979 4.548 1.00 . A A . 9 ILE CB 1 1 2 307 1 1 9 ILE CD1 C -2.526 1.683 5.228 1.00 . A A . 9 ILE CD1 1 1 2 308 1 1 9 ILE CG1 C -3.509 2.286 4.242 1.00 . A A . 9 ILE CG1 1 1 2 309 1 1 9 ILE CG2 C -5.191 1.820 6.048 1.00 . A A . 9 ILE CG2 1 1 2 310 1 1 9 ILE H H -7.131 0.757 4.973 1.00 . A A . 9 ILE H 1 1 2 311 1 1 9 ILE HA H -5.394 0.911 2.748 1.00 . A A . 9 ILE HA 1 1 2 312 1 1 9 ILE HB H -5.576 2.802 4.207 1.00 . A A . 9 ILE HB 1 1 2 313 1 1 9 ILE HD11 H -2.316 2.398 6.009 1.00 . A A . 9 ILE HD11 1 1 2 314 1 1 9 ILE HD12 H -1.610 1.430 4.714 1.00 . A A . 9 ILE HD12 1 1 2 315 1 1 9 ILE HD13 H -2.954 0.791 5.662 1.00 . A A . 9 ILE HD13 1 1 2 316 1 1 9 ILE HG12 H -3.270 1.903 3.260 1.00 . A A . 9 ILE HG12 1 1 2 317 1 1 9 ILE HG13 H -3.380 3.354 4.253 1.00 . A A . 9 ILE HG13 1 1 2 318 1 1 9 ILE HG21 H -6.248 1.859 6.264 1.00 . A A . 9 ILE HG21 1 1 2 319 1 1 9 ILE HG22 H -4.689 2.620 6.572 1.00 . A A . 9 ILE HG22 1 1 2 320 1 1 9 ILE HG23 H -4.793 0.871 6.372 1.00 . A A . 9 ILE HG23 1 1 2 321 1 1 9 ILE N N -6.776 0.391 4.155 1.00 . A A . 9 ILE N 1 1 2 322 1 1 9 ILE O O -3.312 -0.417 3.732 1.00 . A A . 9 ILE O 1 1 2 323 1 1 10 TYS C C -3.999 -3.496 3.983 1.00 . A A . 10 TYS C 1 1 2 324 1 1 10 TYS CA C -4.167 -2.569 5.173 1.00 . A A . 10 TYS CA 1 1 2 325 1 1 10 TYS CB C -4.721 -3.350 6.375 1.00 . A A . 10 TYS CB 1 1 2 326 1 1 10 TYS CD1 C -5.611 -1.872 8.166 1.00 . A A . 10 TYS CD1 1 1 2 327 1 1 10 TYS CD2 C -7.178 -2.913 6.711 1.00 . A A . 10 TYS CD2 1 1 2 328 1 1 10 TYS CE1 C -6.632 -1.277 8.855 1.00 . A A . 10 TYS CE1 1 1 2 329 1 1 10 TYS CE2 C -8.215 -2.315 7.394 1.00 . A A . 10 TYS CE2 1 1 2 330 1 1 10 TYS CG C -5.863 -2.695 7.089 1.00 . A A . 10 TYS CG 1 1 2 331 1 1 10 TYS CZ C -7.939 -1.497 8.471 1.00 . A A . 10 TYS CZ 1 1 2 332 1 1 10 TYS H H -5.930 -1.367 5.105 1.00 . A A . 10 TYS H 1 1 2 333 1 1 10 TYS HA H -3.194 -2.188 5.419 1.00 . A A . 10 TYS HA 1 1 2 334 1 1 10 TYS HB2 H -3.935 -3.470 7.102 1.00 . A A . 10 TYS HB2 1 1 2 335 1 1 10 TYS HB3 H -5.053 -4.321 6.049 1.00 . A A . 10 TYS HB3 1 1 2 336 1 1 10 TYS HD1 H -4.589 -1.700 8.465 1.00 . A A . 10 TYS HD1 1 1 2 337 1 1 10 TYS HD2 H -7.385 -3.554 5.868 1.00 . A A . 10 TYS HD2 1 1 2 338 1 1 10 TYS HE1 H -6.401 -0.645 9.687 1.00 . A A . 10 TYS HE1 1 1 2 339 1 1 10 TYS HE2 H -9.232 -2.490 7.086 1.00 . A A . 10 TYS HE2 1 1 2 340 1 1 10 TYS N N -4.990 -1.418 4.820 1.00 . A A . 10 TYS N 1 1 2 341 1 1 10 TYS O O -2.884 -3.904 3.656 1.00 . A A . 10 TYS O 1 1 2 342 1 1 10 TYS O1 O -10.422 -1.075 11.306 1.00 . A A . 10 TYS O1 1 1 2 343 1 1 10 TYS O2 O -8.958 -2.969 10.633 1.00 . A A . 10 TYS O2 1 1 2 344 1 1 10 TYS O3 O -7.978 -0.858 11.315 1.00 . A A . 10 TYS O3 1 1 2 345 1 1 10 TYS OH O -8.970 -0.975 9.218 1.00 . A A . 10 TYS OH 1 1 2 346 1 1 10 TYS S S -9.171 -1.494 10.642 1.00 . A A . 10 TYS S 1 1 2 347 1 1 11 ASP C C -4.459 -3.960 0.967 1.00 . A A . 11 ASP C 1 1 2 348 1 1 11 ASP CA C -5.048 -4.692 2.168 1.00 . A A . 11 ASP CA 1 1 2 349 1 1 11 ASP CB C -6.443 -5.212 1.822 1.00 . A A . 11 ASP CB 1 1 2 350 1 1 11 ASP CG C -6.813 -6.450 2.616 1.00 . A A . 11 ASP CG 1 1 2 351 1 1 11 ASP H H -5.963 -3.462 3.625 1.00 . A A . 11 ASP H 1 1 2 352 1 1 11 ASP HA H -4.412 -5.528 2.412 1.00 . A A . 11 ASP HA 1 1 2 353 1 1 11 ASP HB2 H -7.172 -4.440 2.032 1.00 . A A . 11 ASP HB2 1 1 2 354 1 1 11 ASP HB3 H -6.472 -5.459 0.768 1.00 . A A . 11 ASP HB3 1 1 2 355 1 1 11 ASP N N -5.101 -3.821 3.329 1.00 . A A . 11 ASP N 1 1 2 356 1 1 11 ASP O O -4.163 -4.578 -0.056 1.00 . A A . 11 ASP O 1 1 2 357 1 1 11 ASP OD1 O -6.846 -6.367 3.863 1.00 . A A . 11 ASP OD1 1 1 2 358 1 1 11 ASP OD2 O -7.067 -7.501 1.992 1.00 . A A . 11 ASP OD2 1 1 2 359 1 1 12 ILE C C -2.190 -1.829 0.051 1.00 . A A . 12 ILE C 1 1 2 360 1 1 12 ILE CA C -3.713 -1.870 -0.014 1.00 . A A . 12 ILE CA 1 1 2 361 1 1 12 ILE CB C -4.282 -0.434 -0.090 1.00 . A A . 12 ILE CB 1 1 2 362 1 1 12 ILE CD1 C -2.342 1.094 0.534 1.00 . A A . 12 ILE CD1 1 1 2 363 1 1 12 ILE CG1 C -3.653 0.474 0.965 1.00 . A A . 12 ILE CG1 1 1 2 364 1 1 12 ILE CG2 C -5.796 -0.454 0.057 1.00 . A A . 12 ILE CG2 1 1 2 365 1 1 12 ILE H H -4.515 -2.192 1.936 1.00 . A A . 12 ILE H 1 1 2 366 1 1 12 ILE HA H -3.988 -2.373 -0.923 1.00 . A A . 12 ILE HA 1 1 2 367 1 1 12 ILE HB H -4.052 -0.040 -1.069 1.00 . A A . 12 ILE HB 1 1 2 368 1 1 12 ILE HD11 H -2.288 1.110 -0.544 1.00 . A A . 12 ILE HD11 1 1 2 369 1 1 12 ILE HD12 H -1.521 0.511 0.927 1.00 . A A . 12 ILE HD12 1 1 2 370 1 1 12 ILE HD13 H -2.280 2.104 0.912 1.00 . A A . 12 ILE HD13 1 1 2 371 1 1 12 ILE HG12 H -4.338 1.273 1.185 1.00 . A A . 12 ILE HG12 1 1 2 372 1 1 12 ILE HG13 H -3.475 -0.095 1.860 1.00 . A A . 12 ILE HG13 1 1 2 373 1 1 12 ILE HG21 H -6.253 -0.228 -0.895 1.00 . A A . 12 ILE HG21 1 1 2 374 1 1 12 ILE HG22 H -6.098 0.287 0.784 1.00 . A A . 12 ILE HG22 1 1 2 375 1 1 12 ILE HG23 H -6.115 -1.431 0.387 1.00 . A A . 12 ILE HG23 1 1 2 376 1 1 12 ILE N N -4.279 -2.643 1.089 1.00 . A A . 12 ILE N 1 1 2 377 1 1 12 ILE O O -1.543 -1.175 -0.765 1.00 . A A . 12 ILE O 1 1 2 378 1 1 13 ASN C C 0.458 -3.646 0.343 1.00 . A A . 13 ASN C 1 1 2 379 1 1 13 ASN CA C -0.179 -2.567 1.194 1.00 . A A . 13 ASN CA 1 1 2 380 1 1 13 ASN CB C 0.182 -2.786 2.657 1.00 . A A . 13 ASN CB 1 1 2 381 1 1 13 ASN CG C -0.355 -1.692 3.558 1.00 . A A . 13 ASN CG 1 1 2 382 1 1 13 ASN H H -2.187 -3.031 1.650 1.00 . A A . 13 ASN H 1 1 2 383 1 1 13 ASN HA H 0.219 -1.621 0.877 1.00 . A A . 13 ASN HA 1 1 2 384 1 1 13 ASN HB2 H -0.227 -3.729 2.980 1.00 . A A . 13 ASN HB2 1 1 2 385 1 1 13 ASN HB3 H 1.258 -2.811 2.749 1.00 . A A . 13 ASN HB3 1 1 2 386 1 1 13 ASN HD21 H -1.042 -3.051 4.837 1.00 . A A . 13 ASN HD21 1 1 2 387 1 1 13 ASN HD22 H -1.327 -1.402 5.269 1.00 . A A . 13 ASN HD22 1 1 2 388 1 1 13 ASN N N -1.622 -2.529 1.027 1.00 . A A . 13 ASN N 1 1 2 389 1 1 13 ASN ND2 N -0.970 -2.088 4.667 1.00 . A A . 13 ASN ND2 1 1 2 390 1 1 13 ASN O O 1.668 -3.839 0.397 1.00 . A A . 13 ASN O 1 1 2 391 1 1 13 ASN OD1 O -0.219 -0.505 3.263 1.00 . A A . 13 ASN OD1 1 1 2 392 1 1 14 TYS C C 1.289 -4.795 -2.249 1.00 . A A . 14 TYS C 1 1 2 393 1 1 14 TYS CA C 0.219 -5.374 -1.323 1.00 . A A . 14 TYS CA 1 1 2 394 1 1 14 TYS CB C -0.869 -6.094 -2.129 1.00 . A A . 14 TYS CB 1 1 2 395 1 1 14 TYS CD1 C -1.716 -3.832 -2.842 1.00 . A A . 14 TYS CD1 1 1 2 396 1 1 14 TYS CD2 C -3.129 -5.717 -3.133 1.00 . A A . 14 TYS CD2 1 1 2 397 1 1 14 TYS CE1 C -2.688 -3.012 -3.376 1.00 . A A . 14 TYS CE1 1 1 2 398 1 1 14 TYS CE2 C -4.107 -4.912 -3.667 1.00 . A A . 14 TYS CE2 1 1 2 399 1 1 14 TYS CG C -1.922 -5.192 -2.713 1.00 . A A . 14 TYS CG 1 1 2 400 1 1 14 TYS CZ C -3.887 -3.556 -3.790 1.00 . A A . 14 TYS CZ 1 1 2 401 1 1 14 TYS H H -1.298 -4.146 -0.490 1.00 . A A . 14 TYS H 1 1 2 402 1 1 14 TYS HA H 0.703 -6.079 -0.677 1.00 . A A . 14 TYS HA 1 1 2 403 1 1 14 TYS HB2 H -1.375 -6.800 -1.489 1.00 . A A . 14 TYS HB2 1 1 2 404 1 1 14 TYS HB3 H -0.409 -6.628 -2.945 1.00 . A A . 14 TYS HB3 1 1 2 405 1 1 14 TYS HD1 H -0.779 -3.416 -2.511 1.00 . A A . 14 TYS HD1 1 1 2 406 1 1 14 TYS HD2 H -3.301 -6.777 -3.035 1.00 . A A . 14 TYS HD2 1 1 2 407 1 1 14 TYS HE1 H -2.508 -1.954 -3.468 1.00 . A A . 14 TYS HE1 1 1 2 408 1 1 14 TYS HE2 H -5.038 -5.346 -3.983 1.00 . A A . 14 TYS HE2 1 1 2 409 1 1 14 TYS N N -0.337 -4.339 -0.465 1.00 . A A . 14 TYS N 1 1 2 410 1 1 14 TYS O O 2.059 -5.535 -2.860 1.00 . A A . 14 TYS O 1 1 2 411 1 1 14 TYS O1 O -5.409 -1.671 -6.716 1.00 . A A . 14 TYS O1 1 1 2 412 1 1 14 TYS O2 O -3.987 -3.712 -6.649 1.00 . A A . 14 TYS O2 1 1 2 413 1 1 14 TYS O3 O -3.161 -1.623 -5.734 1.00 . A A . 14 TYS O3 1 1 2 414 1 1 14 TYS OH O -4.764 -2.789 -4.521 1.00 . A A . 14 TYS OH 1 1 2 415 1 1 14 TYS S S -4.402 -2.452 -5.969 1.00 . A A . 14 TYS S 1 1 2 416 1 1 15 TYR C C 3.738 -3.127 -2.532 1.00 . A A . 15 TYR C 1 1 2 417 1 1 15 TYR CA C 2.369 -2.794 -3.110 1.00 . A A . 15 TYR CA 1 1 2 418 1 1 15 TYR CB C 2.121 -1.280 -3.090 1.00 . A A . 15 TYR CB 1 1 2 419 1 1 15 TYR CD1 C 2.513 -0.935 -0.618 1.00 . A A . 15 TYR CD1 1 1 2 420 1 1 15 TYR CD2 C 3.645 0.502 -2.146 1.00 . A A . 15 TYR CD2 1 1 2 421 1 1 15 TYR CE1 C 3.103 -0.278 0.445 1.00 . A A . 15 TYR CE1 1 1 2 422 1 1 15 TYR CE2 C 4.240 1.165 -1.089 1.00 . A A . 15 TYR CE2 1 1 2 423 1 1 15 TYR CG C 2.772 -0.558 -1.929 1.00 . A A . 15 TYR CG 1 1 2 424 1 1 15 TYR CZ C 3.966 0.771 0.204 1.00 . A A . 15 TYR CZ 1 1 2 425 1 1 15 TYR H H 0.750 -2.928 -1.774 1.00 . A A . 15 TYR H 1 1 2 426 1 1 15 TYR HA H 2.305 -3.162 -4.123 1.00 . A A . 15 TYR HA 1 1 2 427 1 1 15 TYR HB2 H 2.499 -0.847 -4.003 1.00 . A A . 15 TYR HB2 1 1 2 428 1 1 15 TYR HB3 H 1.055 -1.106 -3.025 1.00 . A A . 15 TYR HB3 1 1 2 429 1 1 15 TYR HD1 H 1.837 -1.759 -0.433 1.00 . A A . 15 TYR HD1 1 1 2 430 1 1 15 TYR HD2 H 3.856 0.809 -3.160 1.00 . A A . 15 TYR HD2 1 1 2 431 1 1 15 TYR HE1 H 2.889 -0.587 1.457 1.00 . A A . 15 TYR HE1 1 1 2 432 1 1 15 TYR HE2 H 4.915 1.986 -1.278 1.00 . A A . 15 TYR HE2 1 1 2 433 1 1 15 TYR HH H 4.788 0.795 1.942 1.00 . A A . 15 TYR HH 1 1 2 434 1 1 15 TYR N N 1.362 -3.466 -2.309 1.00 . A A . 15 TYR N 1 1 2 435 1 1 15 TYR O O 4.750 -3.134 -3.231 1.00 . A A . 15 TYR O 1 1 2 436 1 1 15 TYR OH O 4.557 1.429 1.259 1.00 . A A . 15 TYR OH 1 1 2 437 1 1 16 THR C C 5.161 -5.283 -0.602 1.00 . A A . 16 THR C 1 1 2 438 1 1 16 THR CA C 4.921 -3.783 -0.497 1.00 . A A . 16 THR CA 1 1 2 439 1 1 16 THR CB C 4.741 -3.380 0.970 1.00 . A A . 16 THR CB 1 1 2 440 1 1 16 THR CG2 C 3.915 -4.364 1.776 1.00 . A A . 16 THR CG2 1 1 2 441 1 1 16 THR H H 2.877 -3.401 -0.757 1.00 . A A . 16 THR H 1 1 2 442 1 1 16 THR HA H 5.762 -3.252 -0.916 1.00 . A A . 16 THR HA 1 1 2 443 1 1 16 THR HB H 4.229 -2.431 0.999 1.00 . A A . 16 THR HB 1 1 2 444 1 1 16 THR HG1 H 6.439 -4.084 1.644 1.00 . A A . 16 THR HG1 1 1 2 445 1 1 16 THR HG21 H 4.570 -5.052 2.288 1.00 . A A . 16 THR HG21 1 1 2 446 1 1 16 THR HG22 H 3.262 -4.912 1.113 1.00 . A A . 16 THR HG22 1 1 2 447 1 1 16 THR HG23 H 3.320 -3.825 2.498 1.00 . A A . 16 THR HG23 1 1 2 448 1 1 16 THR N N 3.729 -3.420 -1.235 1.00 . A A . 16 THR N 1 1 2 449 1 1 16 THR O O 6.301 -5.749 -0.592 1.00 . A A . 16 THR O 1 1 2 450 1 1 16 THR OG1 O 5.993 -3.235 1.614 1.00 . A A . 16 THR OG1 1 1 2 451 1 1 17 SER C C 5.021 -7.937 -1.945 1.00 . A A . 17 SER C 1 1 2 452 1 1 17 SER CA C 4.134 -7.485 -0.792 1.00 . A A . 17 SER CA 1 1 2 453 1 1 17 SER CB C 2.732 -8.076 -0.947 1.00 . A A . 17 SER CB 1 1 2 454 1 1 17 SER H H 3.182 -5.588 -0.687 1.00 . A A . 17 SER H 1 1 2 455 1 1 17 SER HA H 4.566 -7.848 0.121 1.00 . A A . 17 SER HA 1 1 2 456 1 1 17 SER HB2 H 2.061 -7.592 -0.252 1.00 . A A . 17 SER HB2 1 1 2 457 1 1 17 SER HB3 H 2.384 -7.913 -1.956 1.00 . A A . 17 SER HB3 1 1 2 458 1 1 17 SER HG H 2.381 -9.629 0.196 1.00 . A A . 17 SER HG 1 1 2 459 1 1 17 SER N N 4.066 -6.031 -0.695 1.00 . A A . 17 SER N 1 1 2 460 1 1 17 SER O O 5.510 -9.066 -1.958 1.00 . A A . 17 SER O 1 1 2 461 1 1 17 SER OG O 2.732 -9.469 -0.683 1.00 . A A . 17 SER OG 1 1 2 462 1 1 18 GLU C C 7.537 -7.072 -3.750 1.00 . A A . 18 GLU C 1 1 2 463 1 1 18 GLU CA C 6.070 -7.373 -4.055 1.00 . A A . 18 GLU CA 1 1 2 464 1 1 18 GLU CB C 5.608 -6.605 -5.297 1.00 . A A . 18 GLU CB 1 1 2 465 1 1 18 GLU CD C 3.607 -7.340 -6.656 1.00 . A A . 18 GLU CD 1 1 2 466 1 1 18 GLU CG C 5.094 -7.505 -6.410 1.00 . A A . 18 GLU CG 1 1 2 467 1 1 18 GLU H H 4.821 -6.170 -2.839 1.00 . A A . 18 GLU H 1 1 2 468 1 1 18 GLU HA H 5.971 -8.432 -4.245 1.00 . A A . 18 GLU HA 1 1 2 469 1 1 18 GLU HB2 H 4.816 -5.929 -5.014 1.00 . A A . 18 GLU HB2 1 1 2 470 1 1 18 GLU HB3 H 6.438 -6.031 -5.683 1.00 . A A . 18 GLU HB3 1 1 2 471 1 1 18 GLU HG2 H 5.622 -7.267 -7.321 1.00 . A A . 18 GLU HG2 1 1 2 472 1 1 18 GLU HG3 H 5.288 -8.533 -6.142 1.00 . A A . 18 GLU HG3 1 1 2 473 1 1 18 GLU N N 5.232 -7.053 -2.907 1.00 . A A . 18 GLU N 1 1 2 474 1 1 18 GLU O O 8.374 -7.974 -3.766 1.00 . A A . 18 GLU O 1 1 2 475 1 1 18 GLU OE1 O 3.208 -6.291 -7.204 1.00 . A A . 18 GLU OE1 1 1 2 476 1 1 18 GLU OE2 O 2.841 -8.260 -6.299 1.00 . A A . 18 GLU OE2 1 1 2 477 1 1 19 PRO C C 9.652 -5.743 -1.725 1.00 . A A . 19 PRO C 1 1 2 478 1 1 19 PRO CA C 9.245 -5.397 -3.157 1.00 . A A . 19 PRO CA 1 1 2 479 1 1 19 PRO CB C 9.241 -3.871 -3.351 1.00 . A A . 19 PRO CB 1 1 2 480 1 1 19 PRO CD C 6.978 -4.651 -3.424 1.00 . A A . 19 PRO CD 1 1 2 481 1 1 19 PRO CG C 7.873 -3.524 -3.844 1.00 . A A . 19 PRO CG 1 1 2 482 1 1 19 PRO HA H 9.936 -5.842 -3.845 1.00 . A A . 19 PRO HA 1 1 2 483 1 1 19 PRO HB2 H 9.447 -3.387 -2.406 1.00 . A A . 19 PRO HB2 1 1 2 484 1 1 19 PRO HB3 H 9.999 -3.601 -4.073 1.00 . A A . 19 PRO HB3 1 1 2 485 1 1 19 PRO HD2 H 6.603 -4.487 -2.426 1.00 . A A . 19 PRO HD2 1 1 2 486 1 1 19 PRO HD3 H 6.175 -4.769 -4.121 1.00 . A A . 19 PRO HD3 1 1 2 487 1 1 19 PRO HG2 H 7.545 -2.598 -3.396 1.00 . A A . 19 PRO HG2 1 1 2 488 1 1 19 PRO HG3 H 7.884 -3.437 -4.921 1.00 . A A . 19 PRO HG3 1 1 2 489 1 1 19 PRO N N 7.878 -5.799 -3.465 1.00 . A A . 19 PRO N 1 1 2 490 1 1 19 PRO O O 10.194 -4.904 -1.006 1.00 . A A . 19 PRO O 1 1 2 491 1 1 20 ALA C C 11.162 -7.067 0.401 1.00 . A A . 20 ALA C 1 1 2 492 1 1 20 ALA CA C 9.727 -7.427 0.037 1.00 . A A . 20 ALA CA 1 1 2 493 1 1 20 ALA CB C 9.505 -8.926 0.171 1.00 . A A . 20 ALA CB 1 1 2 494 1 1 20 ALA H H 8.951 -7.606 -1.925 1.00 . A A . 20 ALA H 1 1 2 495 1 1 20 ALA HA H 9.068 -6.929 0.720 1.00 . A A . 20 ALA HA 1 1 2 496 1 1 20 ALA HB1 H 8.503 -9.111 0.528 1.00 . A A . 20 ALA HB1 1 1 2 497 1 1 20 ALA HB2 H 10.219 -9.335 0.870 1.00 . A A . 20 ALA HB2 1 1 2 498 1 1 20 ALA HB3 H 9.636 -9.396 -0.794 1.00 . A A . 20 ALA HB3 1 1 2 499 1 1 20 ALA N N 9.387 -6.980 -1.312 1.00 . A A . 20 ALA N 1 1 2 500 1 1 20 ALA O O 11.496 -6.895 1.572 1.00 . A A . 20 ALA O 1 1 2 501 1 1 21 GLN C C 13.590 -5.091 -0.384 1.00 . A A . 21 GLN C 1 1 2 502 1 1 21 GLN CA C 13.404 -6.605 -0.419 1.00 . A A . 21 GLN CA 1 1 2 503 1 1 21 GLN CB C 14.261 -7.210 -1.533 1.00 . A A . 21 GLN CB 1 1 2 504 1 1 21 GLN CD C 15.379 -9.390 -2.149 1.00 . A A . 21 GLN CD 1 1 2 505 1 1 21 GLN CG C 14.110 -8.717 -1.664 1.00 . A A . 21 GLN CG 1 1 2 506 1 1 21 GLN H H 11.666 -7.097 -1.521 1.00 . A A . 21 GLN H 1 1 2 507 1 1 21 GLN HA H 13.717 -7.016 0.530 1.00 . A A . 21 GLN HA 1 1 2 508 1 1 21 GLN HB2 H 13.981 -6.758 -2.472 1.00 . A A . 21 GLN HB2 1 1 2 509 1 1 21 GLN HE21 H 14.434 -10.065 -3.764 1.00 . A A . 21 GLN HE21 1 1 2 510 1 1 21 GLN HE22 H 16.103 -10.495 -3.636 1.00 . A A . 21 GLN HE22 1 1 2 511 1 1 21 GLN HG2 H 13.851 -9.127 -0.699 1.00 . A A . 21 GLN HG2 1 1 2 512 1 1 21 GLN N N 12.000 -6.950 -0.616 1.00 . A A . 21 GLN N 1 1 2 513 1 1 21 GLN NE2 N 15.297 -10.050 -3.299 1.00 . A A . 21 GLN NE2 1 1 2 514 1 1 21 GLN O O 14.489 -4.580 0.283 1.00 . A A . 21 GLN O 1 1 2 515 1 1 21 GLN OE1 O 16.422 -9.317 -1.499 1.00 . A A . 21 GLN OE1 1 1 2 516 1 1 22 LYS C C 12.637 -2.313 0.224 1.00 . A A . 22 LYS C 1 1 2 517 1 1 22 LYS CA C 12.801 -2.922 -1.165 1.00 . A A . 22 LYS CA 1 1 2 518 1 1 22 LYS CB C 11.723 -2.375 -2.102 1.00 . A A . 22 LYS CB 1 1 2 519 1 1 22 LYS CD C 10.903 -0.443 -3.487 1.00 . A A . 22 LYS CD 1 1 2 520 1 1 22 LYS CE C 10.724 1.039 -3.190 1.00 . A A . 22 LYS CE 1 1 2 521 1 1 22 LYS CG C 12.077 -1.031 -2.718 1.00 . A A . 22 LYS CG 1 1 2 522 1 1 22 LYS H H 12.038 -4.843 -1.621 1.00 . A A . 22 LYS H 1 1 2 523 1 1 22 LYS HA H 13.771 -2.651 -1.552 1.00 . A A . 22 LYS HA 1 1 2 524 1 1 22 LYS HB2 H 11.563 -3.084 -2.901 1.00 . A A . 22 LYS HB2 1 1 2 525 1 1 22 LYS HB3 H 10.804 -2.260 -1.546 1.00 . A A . 22 LYS HB3 1 1 2 526 1 1 22 LYS HD2 H 11.081 -0.567 -4.545 1.00 . A A . 22 LYS HD2 1 1 2 527 1 1 22 LYS HD3 H 10.002 -0.968 -3.208 1.00 . A A . 22 LYS HD3 1 1 2 528 1 1 22 LYS HE2 H 9.715 1.204 -2.846 1.00 . A A . 22 LYS HE2 1 1 2 529 1 1 22 LYS HE3 H 11.419 1.325 -2.414 1.00 . A A . 22 LYS HE3 1 1 2 530 1 1 22 LYS HG2 H 12.359 -0.348 -1.930 1.00 . A A . 22 LYS HG2 1 1 2 531 1 1 22 LYS HG3 H 12.909 -1.166 -3.395 1.00 . A A . 22 LYS HG3 1 1 2 532 1 1 22 LYS HZ1 H 10.795 1.328 -5.258 1.00 . A A . 22 LYS HZ1 1 1 2 533 1 1 22 LYS HZ2 H 11.953 2.217 -4.401 1.00 . A A . 22 LYS HZ2 1 1 2 534 1 1 22 LYS HZ3 H 10.333 2.704 -4.389 1.00 . A A . 22 LYS HZ3 1 1 2 535 1 1 22 LYS N N 12.733 -4.379 -1.110 1.00 . A A . 22 LYS N 1 1 2 536 1 1 22 LYS NZ N 10.968 1.880 -4.394 1.00 . A A . 22 LYS NZ 1 1 2 537 1 1 22 LYS O O 13.558 -1.690 0.752 1.00 . A A . 22 LYS O 1 1 2 538 1 1 23 ILE C C 11.423 -3.011 3.219 1.00 . A A . 23 ILE C 1 1 2 539 1 1 23 ILE CA C 11.172 -1.964 2.138 1.00 . A A . 23 ILE CA 1 1 2 540 1 1 23 ILE CB C 9.716 -1.469 2.243 1.00 . A A . 23 ILE CB 1 1 2 541 1 1 23 ILE CD1 C 7.881 -0.292 0.928 1.00 . A A . 23 ILE CD1 1 1 2 542 1 1 23 ILE CG1 C 9.358 -0.606 1.031 1.00 . A A . 23 ILE CG1 1 1 2 543 1 1 23 ILE CG2 C 9.511 -0.691 3.533 1.00 . A A . 23 ILE CG2 1 1 2 544 1 1 23 ILE H H 10.763 -3.002 0.338 1.00 . A A . 23 ILE H 1 1 2 545 1 1 23 ILE HA H 11.829 -1.123 2.306 1.00 . A A . 23 ILE HA 1 1 2 546 1 1 23 ILE HB H 9.067 -2.332 2.264 1.00 . A A . 23 ILE HB 1 1 2 547 1 1 23 ILE HD11 H 7.739 0.779 0.947 1.00 . A A . 23 ILE HD11 1 1 2 548 1 1 23 ILE HD12 H 7.360 -0.740 1.761 1.00 . A A . 23 ILE HD12 1 1 2 549 1 1 23 ILE HD13 H 7.492 -0.690 0.003 1.00 . A A . 23 ILE HD13 1 1 2 550 1 1 23 ILE HG12 H 9.892 0.331 1.094 1.00 . A A . 23 ILE HG12 1 1 2 551 1 1 23 ILE HG13 H 9.653 -1.122 0.129 1.00 . A A . 23 ILE HG13 1 1 2 552 1 1 23 ILE HG21 H 10.305 -0.926 4.226 1.00 . A A . 23 ILE HG21 1 1 2 553 1 1 23 ILE HG22 H 8.560 -0.961 3.969 1.00 . A A . 23 ILE HG22 1 1 2 554 1 1 23 ILE HG23 H 9.522 0.368 3.321 1.00 . A A . 23 ILE HG23 1 1 2 555 1 1 23 ILE N N 11.458 -2.498 0.810 1.00 . A A . 23 ILE N 1 1 2 556 1 1 23 ILE O O 10.646 -3.141 4.164 1.00 . A A . 23 ILE O 1 1 3 557 1 1 7 SER C C -10.167 0.833 4.448 1.00 . A A . 7 SER C 1 1 3 558 1 1 7 SER CA C -11.126 1.910 4.939 1.00 . A A . 7 SER CA 1 1 3 559 1 1 7 SER CB C -12.551 1.386 4.964 1.00 . A A . 7 SER CB 1 1 3 560 1 1 7 SER H H -11.769 3.184 3.399 1.00 . A A . 7 SER H 1 1 3 561 1 1 7 SER HA H -10.832 2.184 5.938 1.00 . A A . 7 SER HA 1 1 3 562 1 1 7 SER HB2 H -13.171 2.068 4.392 1.00 . A A . 7 SER HB2 1 1 3 563 1 1 7 SER HB3 H -12.583 0.405 4.516 1.00 . A A . 7 SER HB3 1 1 3 564 1 1 7 SER HG H -13.880 1.793 6.346 1.00 . A A . 7 SER HG 1 1 3 565 1 1 7 SER N N -11.110 3.103 4.117 1.00 . A A . 7 SER N 1 1 3 566 1 1 7 SER O O -9.538 0.168 5.258 1.00 . A A . 7 SER O 1 1 3 567 1 1 7 SER OG O -13.051 1.310 6.288 1.00 . A A . 7 SER OG 1 1 3 568 1 1 8 PRO C C -7.690 0.071 2.562 1.00 . A A . 8 PRO C 1 1 3 569 1 1 8 PRO CA C -9.137 -0.385 2.572 1.00 . A A . 8 PRO CA 1 1 3 570 1 1 8 PRO CB C -9.642 -0.583 1.137 1.00 . A A . 8 PRO CB 1 1 3 571 1 1 8 PRO CD C -10.723 1.349 2.060 1.00 . A A . 8 PRO CD 1 1 3 572 1 1 8 PRO CG C -10.853 0.287 1.008 1.00 . A A . 8 PRO CG 1 1 3 573 1 1 8 PRO HA H -9.213 -1.311 3.117 1.00 . A A . 8 PRO HA 1 1 3 574 1 1 8 PRO HB2 H -8.869 -0.287 0.438 1.00 . A A . 8 PRO HB2 1 1 3 575 1 1 8 PRO HB3 H -9.889 -1.623 0.988 1.00 . A A . 8 PRO HB3 1 1 3 576 1 1 8 PRO HD2 H -10.125 2.177 1.701 1.00 . A A . 8 PRO HD2 1 1 3 577 1 1 8 PRO HD3 H -11.696 1.683 2.384 1.00 . A A . 8 PRO HD3 1 1 3 578 1 1 8 PRO HG2 H -10.882 0.735 0.028 1.00 . A A . 8 PRO HG2 1 1 3 579 1 1 8 PRO HG3 H -11.740 -0.301 1.182 1.00 . A A . 8 PRO HG3 1 1 3 580 1 1 8 PRO N N -10.032 0.631 3.125 1.00 . A A . 8 PRO N 1 1 3 581 1 1 8 PRO O O -6.896 -0.348 1.718 1.00 . A A . 8 PRO O 1 1 3 582 1 1 9 ILE C C -5.148 0.521 4.481 1.00 . A A . 9 ILE C 1 1 3 583 1 1 9 ILE CA C -6.008 1.445 3.630 1.00 . A A . 9 ILE CA 1 1 3 584 1 1 9 ILE CB C -6.002 2.878 4.212 1.00 . A A . 9 ILE CB 1 1 3 585 1 1 9 ILE CD1 C -7.188 2.122 6.337 1.00 . A A . 9 ILE CD1 1 1 3 586 1 1 9 ILE CG1 C -6.007 2.860 5.745 1.00 . A A . 9 ILE CG1 1 1 3 587 1 1 9 ILE CG2 C -7.196 3.661 3.690 1.00 . A A . 9 ILE CG2 1 1 3 588 1 1 9 ILE H H -8.034 1.205 4.148 1.00 . A A . 9 ILE H 1 1 3 589 1 1 9 ILE HA H -5.588 1.479 2.643 1.00 . A A . 9 ILE HA 1 1 3 590 1 1 9 ILE HB H -5.109 3.370 3.865 1.00 . A A . 9 ILE HB 1 1 3 591 1 1 9 ILE HD11 H -8.080 2.359 5.775 1.00 . A A . 9 ILE HD11 1 1 3 592 1 1 9 ILE HD12 H -7.321 2.422 7.366 1.00 . A A . 9 ILE HD12 1 1 3 593 1 1 9 ILE HD13 H -7.006 1.058 6.292 1.00 . A A . 9 ILE HD13 1 1 3 594 1 1 9 ILE HG12 H -5.105 2.379 6.098 1.00 . A A . 9 ILE HG12 1 1 3 595 1 1 9 ILE HG13 H -6.036 3.880 6.108 1.00 . A A . 9 ILE HG13 1 1 3 596 1 1 9 ILE HG21 H -7.308 4.568 4.265 1.00 . A A . 9 ILE HG21 1 1 3 597 1 1 9 ILE HG22 H -8.090 3.062 3.786 1.00 . A A . 9 ILE HG22 1 1 3 598 1 1 9 ILE HG23 H -7.038 3.909 2.652 1.00 . A A . 9 ILE HG23 1 1 3 599 1 1 9 ILE N N -7.357 0.925 3.510 1.00 . A A . 9 ILE N 1 1 3 600 1 1 9 ILE O O -3.943 0.720 4.622 1.00 . A A . 9 ILE O 1 1 3 601 1 1 10 TYS C C -4.474 -2.564 5.024 1.00 . A A . 10 TYS C 1 1 3 602 1 1 10 TYS CA C -5.091 -1.465 5.875 1.00 . A A . 10 TYS CA 1 1 3 603 1 1 10 TYS CB C -6.035 -2.076 6.904 1.00 . A A . 10 TYS CB 1 1 3 604 1 1 10 TYS CD1 C -8.242 -2.066 5.817 1.00 . A A . 10 TYS CD1 1 1 3 605 1 1 10 TYS CD2 C -7.220 -4.168 6.183 1.00 . A A . 10 TYS CD2 1 1 3 606 1 1 10 TYS CE1 C -9.327 -2.670 5.250 1.00 . A A . 10 TYS CE1 1 1 3 607 1 1 10 TYS CE2 C -8.305 -4.801 5.612 1.00 . A A . 10 TYS CE2 1 1 3 608 1 1 10 TYS CG C -7.185 -2.793 6.287 1.00 . A A . 10 TYS CG 1 1 3 609 1 1 10 TYS CZ C -9.364 -4.046 5.145 1.00 . A A . 10 TYS CZ 1 1 3 610 1 1 10 TYS H H -6.750 -0.581 4.885 1.00 . A A . 10 TYS H 1 1 3 611 1 1 10 TYS HA H -4.309 -0.950 6.386 1.00 . A A . 10 TYS HA 1 1 3 612 1 1 10 TYS HB2 H -6.449 -1.292 7.514 1.00 . A A . 10 TYS HB2 1 1 3 613 1 1 10 TYS HB3 H -5.497 -2.773 7.525 1.00 . A A . 10 TYS HB3 1 1 3 614 1 1 10 TYS HD1 H -8.202 -0.993 5.898 1.00 . A A . 10 TYS HD1 1 1 3 615 1 1 10 TYS HD2 H -6.384 -4.743 6.552 1.00 . A A . 10 TYS HD2 1 1 3 616 1 1 10 TYS HE1 H -10.137 -2.065 4.894 1.00 . A A . 10 TYS HE1 1 1 3 617 1 1 10 TYS HE2 H -8.322 -5.874 5.537 1.00 . A A . 10 TYS HE2 1 1 3 618 1 1 10 TYS N N -5.787 -0.492 5.041 1.00 . A A . 10 TYS N 1 1 3 619 1 1 10 TYS O O -3.395 -3.071 5.333 1.00 . A A . 10 TYS O 1 1 3 620 1 1 10 TYS O1 O -10.942 -5.247 7.161 1.00 . A A . 10 TYS O1 1 1 3 621 1 1 10 TYS O2 O -12.803 -4.932 5.540 1.00 . A A . 10 TYS O2 1 1 3 622 1 1 10 TYS O3 O -11.269 -6.793 5.283 1.00 . A A . 10 TYS O3 1 1 3 623 1 1 10 TYS OH O -10.514 -4.670 4.718 1.00 . A A . 10 TYS OH 1 1 3 624 1 1 10 TYS S S -11.394 -5.364 5.760 1.00 . A A . 10 TYS S 1 1 3 625 1 1 11 ASP C C -3.707 -3.385 2.019 1.00 . A A . 11 ASP C 1 1 3 626 1 1 11 ASP CA C -4.677 -3.960 3.050 1.00 . A A . 11 ASP CA 1 1 3 627 1 1 11 ASP CB C -5.851 -4.637 2.341 1.00 . A A . 11 ASP CB 1 1 3 628 1 1 11 ASP CG C -6.404 -5.808 3.128 1.00 . A A . 11 ASP CG 1 1 3 629 1 1 11 ASP H H -6.012 -2.482 3.754 1.00 . A A . 11 ASP H 1 1 3 630 1 1 11 ASP HA H -4.157 -4.693 3.645 1.00 . A A . 11 ASP HA 1 1 3 631 1 1 11 ASP HB2 H -6.644 -3.914 2.199 1.00 . A A . 11 ASP HB2 1 1 3 632 1 1 11 ASP HB3 H -5.519 -4.999 1.376 1.00 . A A . 11 ASP HB3 1 1 3 633 1 1 11 ASP N N -5.161 -2.924 3.949 1.00 . A A . 11 ASP N 1 1 3 634 1 1 11 ASP O O -3.263 -4.093 1.117 1.00 . A A . 11 ASP O 1 1 3 635 1 1 11 ASP OD1 O -6.130 -5.889 4.344 1.00 . A A . 11 ASP OD1 1 1 3 636 1 1 11 ASP OD2 O -7.114 -6.644 2.529 1.00 . A A . 11 ASP OD2 1 1 3 637 1 1 12 ILE C C -0.999 -1.628 1.648 1.00 . A A . 12 ILE C 1 1 3 638 1 1 12 ILE CA C -2.456 -1.457 1.218 1.00 . A A . 12 ILE CA 1 1 3 639 1 1 12 ILE CB C -2.763 0.044 1.047 1.00 . A A . 12 ILE CB 1 1 3 640 1 1 12 ILE CD1 C -1.222 1.595 2.349 1.00 . A A . 12 ILE CD1 1 1 3 641 1 1 12 ILE CG1 C -2.509 0.801 2.351 1.00 . A A . 12 ILE CG1 1 1 3 642 1 1 12 ILE CG2 C -4.199 0.240 0.584 1.00 . A A . 12 ILE CG2 1 1 3 643 1 1 12 ILE H H -3.756 -1.573 2.894 1.00 . A A . 12 ILE H 1 1 3 644 1 1 12 ILE HA H -2.588 -1.932 0.258 1.00 . A A . 12 ILE HA 1 1 3 645 1 1 12 ILE HB H -2.110 0.435 0.281 1.00 . A A . 12 ILE HB 1 1 3 646 1 1 12 ILE HD11 H -1.450 2.649 2.413 1.00 . A A . 12 ILE HD11 1 1 3 647 1 1 12 ILE HD12 H -0.680 1.400 1.434 1.00 . A A . 12 ILE HD12 1 1 3 648 1 1 12 ILE HD13 H -0.618 1.304 3.194 1.00 . A A . 12 ILE HD13 1 1 3 649 1 1 12 ILE HG12 H -3.322 1.488 2.523 1.00 . A A . 12 ILE HG12 1 1 3 650 1 1 12 ILE HG13 H -2.463 0.095 3.166 1.00 . A A . 12 ILE HG13 1 1 3 651 1 1 12 ILE HG21 H -4.575 1.177 0.964 1.00 . A A . 12 ILE HG21 1 1 3 652 1 1 12 ILE HG22 H -4.810 -0.571 0.954 1.00 . A A . 12 ILE HG22 1 1 3 653 1 1 12 ILE HG23 H -4.231 0.250 -0.496 1.00 . A A . 12 ILE HG23 1 1 3 654 1 1 12 ILE N N -3.377 -2.098 2.153 1.00 . A A . 12 ILE N 1 1 3 655 1 1 12 ILE O O -0.104 -0.987 1.096 1.00 . A A . 12 ILE O 1 1 3 656 1 1 13 ASN C C 1.328 -3.738 2.264 1.00 . A A . 13 ASN C 1 1 3 657 1 1 13 ASN CA C 0.589 -2.736 3.126 1.00 . A A . 13 ASN CA 1 1 3 658 1 1 13 ASN CB C 0.547 -3.211 4.573 1.00 . A A . 13 ASN CB 1 1 3 659 1 1 13 ASN CG C 1.927 -3.485 5.140 1.00 . A A . 13 ASN CG 1 1 3 660 1 1 13 ASN H H -1.511 -2.975 3.037 1.00 . A A . 13 ASN H 1 1 3 661 1 1 13 ASN HA H 1.130 -1.811 3.079 1.00 . A A . 13 ASN HA 1 1 3 662 1 1 13 ASN HB2 H 0.077 -2.450 5.174 1.00 . A A . 13 ASN HB2 1 1 3 663 1 1 13 ASN HB3 H -0.032 -4.118 4.626 1.00 . A A . 13 ASN HB3 1 1 3 664 1 1 13 ASN HD21 H 2.355 -1.543 5.107 1.00 . A A . 13 ASN HD21 1 1 3 665 1 1 13 ASN HD22 H 3.604 -2.576 5.702 1.00 . A A . 13 ASN HD22 1 1 3 666 1 1 13 ASN N N -0.763 -2.492 2.633 1.00 . A A . 13 ASN N 1 1 3 667 1 1 13 ASN ND2 N 2.708 -2.428 5.337 1.00 . A A . 13 ASN ND2 1 1 3 668 1 1 13 ASN O O 2.508 -3.997 2.489 1.00 . A A . 13 ASN O 1 1 3 669 1 1 13 ASN OD1 O 2.287 -4.633 5.401 1.00 . A A . 13 ASN OD1 1 1 3 670 1 1 14 TYS C C 2.474 -4.543 -0.352 1.00 . A A . 14 TYS C 1 1 3 671 1 1 14 TYS CA C 1.313 -5.222 0.368 1.00 . A A . 14 TYS CA 1 1 3 672 1 1 14 TYS CB C 0.331 -5.842 -0.635 1.00 . A A . 14 TYS CB 1 1 3 673 1 1 14 TYS CD1 C -1.797 -5.335 -1.848 1.00 . A A . 14 TYS CD1 1 1 3 674 1 1 14 TYS CD2 C -0.424 -3.507 -1.205 1.00 . A A . 14 TYS CD2 1 1 3 675 1 1 14 TYS CE1 C -2.704 -4.469 -2.408 1.00 . A A . 14 TYS CE1 1 1 3 676 1 1 14 TYS CE2 C -1.327 -2.625 -1.764 1.00 . A A . 14 TYS CE2 1 1 3 677 1 1 14 TYS CG C -0.646 -4.871 -1.240 1.00 . A A . 14 TYS CG 1 1 3 678 1 1 14 TYS CZ C -2.468 -3.110 -2.366 1.00 . A A . 14 TYS CZ 1 1 3 679 1 1 14 TYS H H -0.273 -4.026 1.102 1.00 . A A . 14 TYS H 1 1 3 680 1 1 14 TYS HA H 1.725 -5.998 0.986 1.00 . A A . 14 TYS HA 1 1 3 681 1 1 14 TYS HB2 H -0.247 -6.605 -0.138 1.00 . A A . 14 TYS HB2 1 1 3 682 1 1 14 TYS HB3 H 0.887 -6.292 -1.441 1.00 . A A . 14 TYS HB3 1 1 3 683 1 1 14 TYS HD1 H -1.979 -6.399 -1.879 1.00 . A A . 14 TYS HD1 1 1 3 684 1 1 14 TYS HD2 H 0.469 -3.139 -0.727 1.00 . A A . 14 TYS HD2 1 1 3 685 1 1 14 TYS HE1 H -3.591 -4.856 -2.872 1.00 . A A . 14 TYS HE1 1 1 3 686 1 1 14 TYS HE2 H -1.136 -1.565 -1.726 1.00 . A A . 14 TYS HE2 1 1 3 687 1 1 14 TYS N N 0.658 -4.280 1.258 1.00 . A A . 14 TYS N 1 1 3 688 1 1 14 TYS O O 3.311 -5.204 -0.967 1.00 . A A . 14 TYS O 1 1 3 689 1 1 14 TYS O1 O -5.463 -3.559 -2.875 1.00 . A A . 14 TYS O1 1 1 3 690 1 1 14 TYS O2 O -5.423 -1.162 -3.535 1.00 . A A . 14 TYS O2 1 1 3 691 1 1 14 TYS O3 O -4.736 -1.819 -1.305 1.00 . A A . 14 TYS O3 1 1 3 692 1 1 14 TYS OH O -3.286 -2.253 -3.067 1.00 . A A . 14 TYS OH 1 1 3 693 1 1 14 TYS S S -4.782 -2.254 -2.752 1.00 . A A . 14 TYS S 1 1 3 694 1 1 15 TYR C C 4.945 -3.027 -0.297 1.00 . A A . 15 TYR C 1 1 3 695 1 1 15 TYR CA C 3.630 -2.455 -0.813 1.00 . A A . 15 TYR CA 1 1 3 696 1 1 15 TYR CB C 3.473 -0.976 -0.430 1.00 . A A . 15 TYR CB 1 1 3 697 1 1 15 TYR CD1 C 3.904 -1.137 2.054 1.00 . A A . 15 TYR CD1 1 1 3 698 1 1 15 TYR CD2 C 5.225 0.386 0.780 1.00 . A A . 15 TYR CD2 1 1 3 699 1 1 15 TYR CE1 C 4.576 -0.763 3.203 1.00 . A A . 15 TYR CE1 1 1 3 700 1 1 15 TYR CE2 C 5.901 0.763 1.924 1.00 . A A . 15 TYR CE2 1 1 3 701 1 1 15 TYR CG C 4.217 -0.569 0.825 1.00 . A A . 15 TYR CG 1 1 3 702 1 1 15 TYR CZ C 5.573 0.186 3.133 1.00 . A A . 15 TYR CZ 1 1 3 703 1 1 15 TYR H H 1.876 -2.749 0.304 1.00 . A A . 15 TYR H 1 1 3 704 1 1 15 TYR HA H 3.586 -2.562 -1.886 1.00 . A A . 15 TYR HA 1 1 3 705 1 1 15 TYR HB2 H 3.830 -0.360 -1.241 1.00 . A A . 15 TYR HB2 1 1 3 706 1 1 15 TYR HB3 H 2.421 -0.775 -0.263 1.00 . A A . 15 TYR HB3 1 1 3 707 1 1 15 TYR HD1 H 3.122 -1.883 2.104 1.00 . A A . 15 TYR HD1 1 1 3 708 1 1 15 TYR HD2 H 5.480 0.836 -0.168 1.00 . A A . 15 TYR HD2 1 1 3 709 1 1 15 TYR HE1 H 4.319 -1.216 4.149 1.00 . A A . 15 TYR HE1 1 1 3 710 1 1 15 TYR HE2 H 6.682 1.508 1.869 1.00 . A A . 15 TYR HE2 1 1 3 711 1 1 15 TYR HH H 6.166 1.509 4.397 1.00 . A A . 15 TYR HH 1 1 3 712 1 1 15 TYR N N 2.547 -3.218 -0.227 1.00 . A A . 15 TYR N 1 1 3 713 1 1 15 TYR O O 5.967 -3.025 -0.980 1.00 . A A . 15 TYR O 1 1 3 714 1 1 15 TYR OH O 6.243 0.560 4.275 1.00 . A A . 15 TYR OH 1 1 3 715 1 1 16 THR C C 6.053 -5.646 1.207 1.00 . A A . 16 THR C 1 1 3 716 1 1 16 THR CA C 5.993 -4.173 1.586 1.00 . A A . 16 THR CA 1 1 3 717 1 1 16 THR CB C 5.833 -4.028 3.099 1.00 . A A . 16 THR CB 1 1 3 718 1 1 16 THR CG2 C 4.820 -4.986 3.695 1.00 . A A . 16 THR CG2 1 1 3 719 1 1 16 THR H H 4.008 -3.527 1.391 1.00 . A A . 16 THR H 1 1 3 720 1 1 16 THR HA H 6.899 -3.680 1.268 1.00 . A A . 16 THR HA 1 1 3 721 1 1 16 THR HB H 5.494 -3.028 3.312 1.00 . A A . 16 THR HB 1 1 3 722 1 1 16 THR HG1 H 7.673 -3.524 3.538 1.00 . A A . 16 THR HG1 1 1 3 723 1 1 16 THR HG21 H 4.348 -4.525 4.549 1.00 . A A . 16 THR HG21 1 1 3 724 1 1 16 THR HG22 H 5.317 -5.892 4.004 1.00 . A A . 16 THR HG22 1 1 3 725 1 1 16 THR HG23 H 4.068 -5.220 2.954 1.00 . A A . 16 THR HG23 1 1 3 726 1 1 16 THR N N 4.869 -3.548 0.924 1.00 . A A . 16 THR N 1 1 3 727 1 1 16 THR O O 7.130 -6.231 1.083 1.00 . A A . 16 THR O 1 1 3 728 1 1 16 THR OG1 O 7.067 -4.234 3.763 1.00 . A A . 16 THR OG1 1 1 3 729 1 1 17 SER C C 5.697 -8.031 -0.461 1.00 . A A . 17 SER C 1 1 3 730 1 1 17 SER CA C 4.756 -7.650 0.683 1.00 . A A . 17 SER CA 1 1 3 731 1 1 17 SER CB C 3.303 -7.992 0.330 1.00 . A A . 17 SER CB 1 1 3 732 1 1 17 SER H H 4.048 -5.703 1.163 1.00 . A A . 17 SER H 1 1 3 733 1 1 17 SER HA H 5.037 -8.222 1.543 1.00 . A A . 17 SER HA 1 1 3 734 1 1 17 SER HB2 H 2.697 -7.941 1.222 1.00 . A A . 17 SER HB2 1 1 3 735 1 1 17 SER HB3 H 2.935 -7.285 -0.397 1.00 . A A . 17 SER HB3 1 1 3 736 1 1 17 SER HG H 2.959 -9.243 -1.138 1.00 . A A . 17 SER HG 1 1 3 737 1 1 17 SER N N 4.871 -6.237 1.036 1.00 . A A . 17 SER N 1 1 3 738 1 1 17 SER O O 6.876 -8.306 -0.240 1.00 . A A . 17 SER O 1 1 3 739 1 1 17 SER OG O 3.204 -9.299 -0.212 1.00 . A A . 17 SER OG 1 1 3 740 1 1 18 GLU C C 7.176 -7.504 -3.006 1.00 . A A . 18 GLU C 1 1 3 741 1 1 18 GLU CA C 5.962 -8.417 -2.850 1.00 . A A . 18 GLU CA 1 1 3 742 1 1 18 GLU CB C 5.107 -8.372 -4.121 1.00 . A A . 18 GLU CB 1 1 3 743 1 1 18 GLU CD C 3.041 -9.305 -5.238 1.00 . A A . 18 GLU CD 1 1 3 744 1 1 18 GLU CG C 3.692 -8.895 -3.931 1.00 . A A . 18 GLU CG 1 1 3 745 1 1 18 GLU H H 4.226 -7.837 -1.784 1.00 . A A . 18 GLU H 1 1 3 746 1 1 18 GLU HA H 6.312 -9.429 -2.706 1.00 . A A . 18 GLU HA 1 1 3 747 1 1 18 GLU HB2 H 5.047 -7.351 -4.467 1.00 . A A . 18 GLU HB2 1 1 3 748 1 1 18 GLU HB3 H 5.587 -8.969 -4.882 1.00 . A A . 18 GLU HB3 1 1 3 749 1 1 18 GLU HG2 H 3.724 -9.754 -3.278 1.00 . A A . 18 GLU HG2 1 1 3 750 1 1 18 GLU HG3 H 3.093 -8.119 -3.475 1.00 . A A . 18 GLU HG3 1 1 3 751 1 1 18 GLU N N 5.170 -8.056 -1.677 1.00 . A A . 18 GLU N 1 1 3 752 1 1 18 GLU O O 8.294 -7.981 -3.203 1.00 . A A . 18 GLU O 1 1 3 753 1 1 18 GLU OE1 O 3.287 -10.441 -5.692 1.00 . A A . 18 GLU OE1 1 1 3 754 1 1 18 GLU OE2 O 2.287 -8.488 -5.807 1.00 . A A . 18 GLU OE2 1 1 3 755 1 1 19 PRO C C 8.928 -5.057 -1.843 1.00 . A A . 19 PRO C 1 1 3 756 1 1 19 PRO CA C 8.060 -5.203 -3.092 1.00 . A A . 19 PRO CA 1 1 3 757 1 1 19 PRO CB C 7.336 -3.879 -3.384 1.00 . A A . 19 PRO CB 1 1 3 758 1 1 19 PRO CD C 5.699 -5.503 -2.739 1.00 . A A . 19 PRO CD 1 1 3 759 1 1 19 PRO CG C 5.886 -4.223 -3.497 1.00 . A A . 19 PRO CG 1 1 3 760 1 1 19 PRO HA H 8.681 -5.457 -3.929 1.00 . A A . 19 PRO HA 1 1 3 761 1 1 19 PRO HB2 H 7.512 -3.185 -2.572 1.00 . A A . 19 PRO HB2 1 1 3 762 1 1 19 PRO HB3 H 7.716 -3.465 -4.306 1.00 . A A . 19 PRO HB3 1 1 3 763 1 1 19 PRO HD2 H 5.524 -5.305 -1.693 1.00 . A A . 19 PRO HD2 1 1 3 764 1 1 19 PRO HD3 H 4.897 -6.078 -3.161 1.00 . A A . 19 PRO HD3 1 1 3 765 1 1 19 PRO HG2 H 5.288 -3.438 -3.060 1.00 . A A . 19 PRO HG2 1 1 3 766 1 1 19 PRO HG3 H 5.622 -4.361 -4.535 1.00 . A A . 19 PRO HG3 1 1 3 767 1 1 19 PRO N N 6.979 -6.173 -2.939 1.00 . A A . 19 PRO N 1 1 3 768 1 1 19 PRO O O 9.446 -3.975 -1.567 1.00 . A A . 19 PRO O 1 1 3 769 1 1 20 ALA C C 11.324 -5.665 -0.202 1.00 . A A . 20 ALA C 1 1 3 770 1 1 20 ALA CA C 9.906 -6.109 0.116 1.00 . A A . 20 ALA CA 1 1 3 771 1 1 20 ALA CB C 9.909 -7.472 0.791 1.00 . A A . 20 ALA CB 1 1 3 772 1 1 20 ALA H H 8.662 -6.976 -1.358 1.00 . A A . 20 ALA H 1 1 3 773 1 1 20 ALA HA H 9.467 -5.398 0.789 1.00 . A A . 20 ALA HA 1 1 3 774 1 1 20 ALA HB1 H 10.062 -7.347 1.853 1.00 . A A . 20 ALA HB1 1 1 3 775 1 1 20 ALA HB2 H 10.707 -8.075 0.381 1.00 . A A . 20 ALA HB2 1 1 3 776 1 1 20 ALA HB3 H 8.962 -7.962 0.618 1.00 . A A . 20 ALA HB3 1 1 3 777 1 1 20 ALA N N 9.091 -6.140 -1.093 1.00 . A A . 20 ALA N 1 1 3 778 1 1 20 ALA O O 11.983 -5.003 0.600 1.00 . A A . 20 ALA O 1 1 3 779 1 1 21 GLN C C 13.097 -4.307 -2.536 1.00 . A A . 21 GLN C 1 1 3 780 1 1 21 GLN CA C 13.111 -5.673 -1.854 1.00 . A A . 21 GLN CA 1 1 3 781 1 1 21 GLN CB C 13.639 -6.735 -2.819 1.00 . A A . 21 GLN CB 1 1 3 782 1 1 21 GLN CD C 13.889 -9.218 -3.210 1.00 . A A . 21 GLN CD 1 1 3 783 1 1 21 GLN CG C 13.811 -8.105 -2.184 1.00 . A A . 21 GLN CG 1 1 3 784 1 1 21 GLN H H 11.189 -6.546 -1.973 1.00 . A A . 21 GLN H 1 1 3 785 1 1 21 GLN HA H 13.761 -5.626 -0.992 1.00 . A A . 21 GLN HA 1 1 3 786 1 1 21 GLN HB2 H 12.950 -6.829 -3.645 1.00 . A A . 21 GLN HB2 1 1 3 787 1 1 21 GLN HE21 H 15.780 -9.577 -2.715 1.00 . A A . 21 GLN HE21 1 1 3 788 1 1 21 GLN HE22 H 15.128 -10.581 -3.961 1.00 . A A . 21 GLN HE22 1 1 3 789 1 1 21 GLN HG2 H 14.722 -8.107 -1.604 1.00 . A A . 21 GLN HG2 1 1 3 790 1 1 21 GLN N N 11.776 -6.029 -1.389 1.00 . A A . 21 GLN N 1 1 3 791 1 1 21 GLN NE2 N 15.049 -9.856 -3.305 1.00 . A A . 21 GLN NE2 1 1 3 792 1 1 21 GLN O O 14.119 -3.624 -2.600 1.00 . A A . 21 GLN O 1 1 3 793 1 1 21 GLN OE1 O 12.917 -9.501 -3.911 1.00 . A A . 21 GLN OE1 1 1 3 794 1 1 22 LYS C C 12.392 -1.500 -2.916 1.00 . A A . 22 LYS C 1 1 3 795 1 1 22 LYS CA C 11.776 -2.635 -3.730 1.00 . A A . 22 LYS CA 1 1 3 796 1 1 22 LYS CB C 10.296 -2.349 -3.989 1.00 . A A . 22 LYS CB 1 1 3 797 1 1 22 LYS CD C 9.989 -2.891 -6.422 1.00 . A A . 22 LYS CD 1 1 3 798 1 1 22 LYS CE C 9.618 -2.347 -7.793 1.00 . A A . 22 LYS CE 1 1 3 799 1 1 22 LYS CG C 10.017 -1.791 -5.375 1.00 . A A . 22 LYS CG 1 1 3 800 1 1 22 LYS H H 11.153 -4.508 -2.966 1.00 . A A . 22 LYS H 1 1 3 801 1 1 22 LYS HA H 12.288 -2.702 -4.676 1.00 . A A . 22 LYS HA 1 1 3 802 1 1 22 LYS HB2 H 9.738 -3.267 -3.876 1.00 . A A . 22 LYS HB2 1 1 3 803 1 1 22 LYS HB3 H 9.945 -1.634 -3.258 1.00 . A A . 22 LYS HB3 1 1 3 804 1 1 22 LYS HD2 H 10.966 -3.347 -6.480 1.00 . A A . 22 LYS HD2 1 1 3 805 1 1 22 LYS HD3 H 9.259 -3.633 -6.130 1.00 . A A . 22 LYS HD3 1 1 3 806 1 1 22 LYS HE2 H 8.905 -3.016 -8.252 1.00 . A A . 22 LYS HE2 1 1 3 807 1 1 22 LYS HE3 H 9.168 -1.372 -7.671 1.00 . A A . 22 LYS HE3 1 1 3 808 1 1 22 LYS HG2 H 9.061 -1.290 -5.366 1.00 . A A . 22 LYS HG2 1 1 3 809 1 1 22 LYS HG3 H 10.794 -1.084 -5.629 1.00 . A A . 22 LYS HG3 1 1 3 810 1 1 22 LYS HZ1 H 10.720 -1.380 -9.282 1.00 . A A . 22 LYS HZ1 1 1 3 811 1 1 22 LYS HZ2 H 10.885 -3.064 -9.293 1.00 . A A . 22 LYS HZ2 1 1 3 812 1 1 22 LYS HZ3 H 11.672 -2.144 -8.113 1.00 . A A . 22 LYS HZ3 1 1 3 813 1 1 22 LYS N N 11.930 -3.918 -3.048 1.00 . A A . 22 LYS N 1 1 3 814 1 1 22 LYS NZ N 10.807 -2.225 -8.682 1.00 . A A . 22 LYS NZ 1 1 3 815 1 1 22 LYS O O 13.086 -0.640 -3.457 1.00 . A A . 22 LYS O 1 1 3 816 1 1 23 ILE C C 13.616 -1.081 0.301 1.00 . A A . 23 ILE C 1 1 3 817 1 1 23 ILE CA C 12.661 -0.478 -0.723 1.00 . A A . 23 ILE CA 1 1 3 818 1 1 23 ILE CB C 11.529 0.262 0.018 1.00 . A A . 23 ILE CB 1 1 3 819 1 1 23 ILE CD1 C 9.138 1.090 -0.263 1.00 . A A . 23 ILE CD1 1 1 3 820 1 1 23 ILE CG1 C 10.404 0.629 -0.952 1.00 . A A . 23 ILE CG1 1 1 3 821 1 1 23 ILE CG2 C 12.070 1.508 0.706 1.00 . A A . 23 ILE CG2 1 1 3 822 1 1 23 ILE H H 11.572 -2.219 -1.239 1.00 . A A . 23 ILE H 1 1 3 823 1 1 23 ILE HA H 13.199 0.240 -1.325 1.00 . A A . 23 ILE HA 1 1 3 824 1 1 23 ILE HB H 11.138 -0.396 0.780 1.00 . A A . 23 ILE HB 1 1 3 825 1 1 23 ILE HD11 H 8.295 0.537 -0.650 1.00 . A A . 23 ILE HD11 1 1 3 826 1 1 23 ILE HD12 H 8.992 2.145 -0.448 1.00 . A A . 23 ILE HD12 1 1 3 827 1 1 23 ILE HD13 H 9.224 0.920 0.800 1.00 . A A . 23 ILE HD13 1 1 3 828 1 1 23 ILE HG12 H 10.739 1.426 -1.598 1.00 . A A . 23 ILE HG12 1 1 3 829 1 1 23 ILE HG13 H 10.160 -0.236 -1.552 1.00 . A A . 23 ILE HG13 1 1 3 830 1 1 23 ILE HG21 H 11.677 1.564 1.710 1.00 . A A . 23 ILE HG21 1 1 3 831 1 1 23 ILE HG22 H 11.769 2.385 0.152 1.00 . A A . 23 ILE HG22 1 1 3 832 1 1 23 ILE HG23 H 13.149 1.460 0.743 1.00 . A A . 23 ILE HG23 1 1 3 833 1 1 23 ILE N N 12.132 -1.505 -1.613 1.00 . A A . 23 ILE N 1 1 3 834 1 1 23 ILE O O 13.726 -0.592 1.425 1.00 . A A . 23 ILE O 1 1 4 835 1 1 7 SER C C -10.037 0.350 5.279 1.00 . A A . 7 SER C 1 1 4 836 1 1 7 SER CA C -10.948 1.451 5.800 1.00 . A A . 7 SER CA 1 1 4 837 1 1 7 SER CB C -12.207 0.856 6.413 1.00 . A A . 7 SER CB 1 1 4 838 1 1 7 SER H H -12.280 2.687 4.741 1.00 . A A . 7 SER H 1 1 4 839 1 1 7 SER HA H -10.412 2.000 6.556 1.00 . A A . 7 SER HA 1 1 4 840 1 1 7 SER HB2 H -13.066 1.285 5.907 1.00 . A A . 7 SER HB2 1 1 4 841 1 1 7 SER HB3 H -12.205 -0.214 6.275 1.00 . A A . 7 SER HB3 1 1 4 842 1 1 7 SER HG H -13.172 1.484 7.999 1.00 . A A . 7 SER HG 1 1 4 843 1 1 7 SER N N -11.350 2.376 4.756 1.00 . A A . 7 SER N 1 1 4 844 1 1 7 SER O O -9.022 0.046 5.900 1.00 . A A . 7 SER O 1 1 4 845 1 1 7 SER OG O -12.296 1.147 7.797 1.00 . A A . 7 SER OG 1 1 4 846 1 1 8 PRO C C -8.146 -0.855 3.165 1.00 . A A . 8 PRO C 1 1 4 847 1 1 8 PRO CA C -9.539 -1.333 3.559 1.00 . A A . 8 PRO CA 1 1 4 848 1 1 8 PRO CB C -10.325 -1.787 2.326 1.00 . A A . 8 PRO CB 1 1 4 849 1 1 8 PRO CD C -11.541 0.016 3.300 1.00 . A A . 8 PRO CD 1 1 4 850 1 1 8 PRO CG C -11.706 -1.261 2.531 1.00 . A A . 8 PRO CG 1 1 4 851 1 1 8 PRO HA H -9.440 -2.151 4.249 1.00 . A A . 8 PRO HA 1 1 4 852 1 1 8 PRO HB2 H -9.872 -1.374 1.436 1.00 . A A . 8 PRO HB2 1 1 4 853 1 1 8 PRO HB3 H -10.319 -2.867 2.275 1.00 . A A . 8 PRO HB3 1 1 4 854 1 1 8 PRO HD2 H -11.353 0.840 2.627 1.00 . A A . 8 PRO HD2 1 1 4 855 1 1 8 PRO HD3 H -12.410 0.209 3.911 1.00 . A A . 8 PRO HD3 1 1 4 856 1 1 8 PRO HG2 H -12.172 -1.069 1.576 1.00 . A A . 8 PRO HG2 1 1 4 857 1 1 8 PRO HG3 H -12.289 -1.970 3.100 1.00 . A A . 8 PRO HG3 1 1 4 858 1 1 8 PRO N N -10.363 -0.265 4.130 1.00 . A A . 8 PRO N 1 1 4 859 1 1 8 PRO O O -7.497 -1.440 2.299 1.00 . A A . 8 PRO O 1 1 4 860 1 1 9 ILE C C -5.319 -0.053 4.294 1.00 . A A . 9 ILE C 1 1 4 861 1 1 9 ILE CA C -6.390 0.759 3.586 1.00 . A A . 9 ILE CA 1 1 4 862 1 1 9 ILE CB C -6.344 2.221 4.054 1.00 . A A . 9 ILE CB 1 1 4 863 1 1 9 ILE CD1 C -4.102 2.592 5.221 1.00 . A A . 9 ILE CD1 1 1 4 864 1 1 9 ILE CG1 C -4.927 2.772 3.961 1.00 . A A . 9 ILE CG1 1 1 4 865 1 1 9 ILE CG2 C -6.892 2.353 5.471 1.00 . A A . 9 ILE CG2 1 1 4 866 1 1 9 ILE H H -8.244 0.605 4.503 1.00 . A A . 9 ILE H 1 1 4 867 1 1 9 ILE HA H -6.209 0.727 2.532 1.00 . A A . 9 ILE HA 1 1 4 868 1 1 9 ILE HB H -6.979 2.793 3.399 1.00 . A A . 9 ILE HB 1 1 4 869 1 1 9 ILE HD11 H -4.141 3.496 5.810 1.00 . A A . 9 ILE HD11 1 1 4 870 1 1 9 ILE HD12 H -3.076 2.381 4.953 1.00 . A A . 9 ILE HD12 1 1 4 871 1 1 9 ILE HD13 H -4.500 1.769 5.798 1.00 . A A . 9 ILE HD13 1 1 4 872 1 1 9 ILE HG12 H -4.413 2.272 3.154 1.00 . A A . 9 ILE HG12 1 1 4 873 1 1 9 ILE HG13 H -4.991 3.825 3.751 1.00 . A A . 9 ILE HG13 1 1 4 874 1 1 9 ILE HG21 H -7.957 2.520 5.431 1.00 . A A . 9 ILE HG21 1 1 4 875 1 1 9 ILE HG22 H -6.415 3.188 5.964 1.00 . A A . 9 ILE HG22 1 1 4 876 1 1 9 ILE HG23 H -6.689 1.447 6.022 1.00 . A A . 9 ILE HG23 1 1 4 877 1 1 9 ILE N N -7.692 0.198 3.825 1.00 . A A . 9 ILE N 1 1 4 878 1 1 9 ILE O O -4.124 0.160 4.096 1.00 . A A . 9 ILE O 1 1 4 879 1 1 10 TYS C C -4.343 -2.981 4.930 1.00 . A A . 10 TYS C 1 1 4 880 1 1 10 TYS CA C -4.804 -1.843 5.825 1.00 . A A . 10 TYS CA 1 1 4 881 1 1 10 TYS CB C -5.371 -2.408 7.137 1.00 . A A . 10 TYS CB 1 1 4 882 1 1 10 TYS CD1 C -6.941 -0.915 8.349 1.00 . A A . 10 TYS CD1 1 1 4 883 1 1 10 TYS CD2 C -7.878 -2.610 6.971 1.00 . A A . 10 TYS CD2 1 1 4 884 1 1 10 TYS CE1 C -8.195 -0.502 8.711 1.00 . A A . 10 TYS CE1 1 1 4 885 1 1 10 TYS CE2 C -9.147 -2.201 7.324 1.00 . A A . 10 TYS CE2 1 1 4 886 1 1 10 TYS CG C -6.761 -1.967 7.479 1.00 . A A . 10 TYS CG 1 1 4 887 1 1 10 TYS CZ C -9.303 -1.144 8.198 1.00 . A A . 10 TYS CZ 1 1 4 888 1 1 10 TYS H H -6.719 -1.122 5.227 1.00 . A A . 10 TYS H 1 1 4 889 1 1 10 TYS HA H -3.947 -1.235 6.046 1.00 . A A . 10 TYS HA 1 1 4 890 1 1 10 TYS HB2 H -4.740 -2.091 7.952 1.00 . A A . 10 TYS HB2 1 1 4 891 1 1 10 TYS HB3 H -5.374 -3.484 7.091 1.00 . A A . 10 TYS HB3 1 1 4 892 1 1 10 TYS HD1 H -6.073 -0.410 8.746 1.00 . A A . 10 TYS HD1 1 1 4 893 1 1 10 TYS HD2 H -7.747 -3.435 6.287 1.00 . A A . 10 TYS HD2 1 1 4 894 1 1 10 TYS HE1 H -8.299 0.321 9.389 1.00 . A A . 10 TYS HE1 1 1 4 895 1 1 10 TYS HE2 H -10.006 -2.707 6.918 1.00 . A A . 10 TYS HE2 1 1 4 896 1 1 10 TYS N N -5.752 -0.995 5.114 1.00 . A A . 10 TYS N 1 1 4 897 1 1 10 TYS O O -3.179 -3.378 4.964 1.00 . A A . 10 TYS O 1 1 4 898 1 1 10 TYS O1 O -9.941 -1.922 10.842 1.00 . A A . 10 TYS O1 1 1 4 899 1 1 10 TYS O2 O -11.410 0.084 10.757 1.00 . A A . 10 TYS O2 1 1 4 900 1 1 10 TYS O3 O -12.164 -2.015 9.802 1.00 . A A . 10 TYS O3 1 1 4 901 1 1 10 TYS OH O -10.560 -0.801 8.641 1.00 . A A . 10 TYS OH 1 1 4 902 1 1 10 TYS S S -10.948 -1.159 10.076 1.00 . A A . 10 TYS S 1 1 4 903 1 1 11 ASP C C -4.332 -4.017 1.915 1.00 . A A . 11 ASP C 1 1 4 904 1 1 11 ASP CA C -4.931 -4.567 3.204 1.00 . A A . 11 ASP CA 1 1 4 905 1 1 11 ASP CB C -6.174 -5.395 2.883 1.00 . A A . 11 ASP CB 1 1 4 906 1 1 11 ASP CG C -6.430 -6.480 3.910 1.00 . A A . 11 ASP CG 1 1 4 907 1 1 11 ASP H H -6.164 -3.124 4.126 1.00 . A A . 11 ASP H 1 1 4 908 1 1 11 ASP HA H -4.202 -5.199 3.685 1.00 . A A . 11 ASP HA 1 1 4 909 1 1 11 ASP HB2 H -7.038 -4.742 2.853 1.00 . A A . 11 ASP HB2 1 1 4 910 1 1 11 ASP HB3 H -6.043 -5.863 1.914 1.00 . A A . 11 ASP HB3 1 1 4 911 1 1 11 ASP N N -5.257 -3.489 4.118 1.00 . A A . 11 ASP N 1 1 4 912 1 1 11 ASP O O -3.922 -4.782 1.042 1.00 . A A . 11 ASP O 1 1 4 913 1 1 11 ASP OD1 O -6.122 -6.255 5.099 1.00 . A A . 11 ASP OD1 1 1 4 914 1 1 11 ASP OD2 O -6.937 -7.554 3.526 1.00 . A A . 11 ASP OD2 1 1 4 915 1 1 12 ILE C C -2.202 -1.884 0.714 1.00 . A A . 12 ILE C 1 1 4 916 1 1 12 ILE CA C -3.711 -2.079 0.591 1.00 . A A . 12 ILE CA 1 1 4 917 1 1 12 ILE CB C -4.388 -0.740 0.228 1.00 . A A . 12 ILE CB 1 1 4 918 1 1 12 ILE CD1 C -2.711 1.034 0.948 1.00 . A A . 12 ILE CD1 1 1 4 919 1 1 12 ILE CG1 C -4.031 0.352 1.233 1.00 . A A . 12 ILE CG1 1 1 4 920 1 1 12 ILE CG2 C -5.898 -0.916 0.144 1.00 . A A . 12 ILE CG2 1 1 4 921 1 1 12 ILE H H -4.606 -2.114 2.525 1.00 . A A . 12 ILE H 1 1 4 922 1 1 12 ILE HA H -3.891 -2.762 -0.222 1.00 . A A . 12 ILE HA 1 1 4 923 1 1 12 ILE HB H -4.036 -0.444 -0.750 1.00 . A A . 12 ILE HB 1 1 4 924 1 1 12 ILE HD11 H -1.919 0.517 1.469 1.00 . A A . 12 ILE HD11 1 1 4 925 1 1 12 ILE HD12 H -2.755 2.059 1.287 1.00 . A A . 12 ILE HD12 1 1 4 926 1 1 12 ILE HD13 H -2.516 1.014 -0.113 1.00 . A A . 12 ILE HD13 1 1 4 927 1 1 12 ILE HG12 H -4.801 1.103 1.215 1.00 . A A . 12 ILE HG12 1 1 4 928 1 1 12 ILE HG13 H -3.979 -0.078 2.217 1.00 . A A . 12 ILE HG13 1 1 4 929 1 1 12 ILE HG21 H -6.224 -0.745 -0.872 1.00 . A A . 12 ILE HG21 1 1 4 930 1 1 12 ILE HG22 H -6.381 -0.208 0.800 1.00 . A A . 12 ILE HG22 1 1 4 931 1 1 12 ILE HG23 H -6.162 -1.920 0.441 1.00 . A A . 12 ILE HG23 1 1 4 932 1 1 12 ILE N N -4.274 -2.688 1.792 1.00 . A A . 12 ILE N 1 1 4 933 1 1 12 ILE O O -1.583 -1.224 -0.120 1.00 . A A . 12 ILE O 1 1 4 934 1 1 13 ASN C C 0.585 -3.358 1.125 1.00 . A A . 13 ASN C 1 1 4 935 1 1 13 ASN CA C -0.177 -2.361 1.973 1.00 . A A . 13 ASN CA 1 1 4 936 1 1 13 ASN CB C 0.160 -2.566 3.444 1.00 . A A . 13 ASN CB 1 1 4 937 1 1 13 ASN CG C -0.643 -1.660 4.356 1.00 . A A . 13 ASN CG 1 1 4 938 1 1 13 ASN H H -2.152 -2.987 2.384 1.00 . A A . 13 ASN H 1 1 4 939 1 1 13 ASN HA H 0.132 -1.376 1.676 1.00 . A A . 13 ASN HA 1 1 4 940 1 1 13 ASN HB2 H -0.045 -3.591 3.712 1.00 . A A . 13 ASN HB2 1 1 4 941 1 1 13 ASN HB3 H 1.209 -2.360 3.592 1.00 . A A . 13 ASN HB3 1 1 4 942 1 1 13 ASN HD21 H 0.669 -1.935 5.825 1.00 . A A . 13 ASN HD21 1 1 4 943 1 1 13 ASN HD22 H -0.665 -0.899 6.193 1.00 . A A . 13 ASN HD22 1 1 4 944 1 1 13 ASN N N -1.612 -2.469 1.754 1.00 . A A . 13 ASN N 1 1 4 945 1 1 13 ASN ND2 N -0.165 -1.480 5.582 1.00 . A A . 13 ASN ND2 1 1 4 946 1 1 13 ASN O O 1.812 -3.396 1.165 1.00 . A A . 13 ASN O 1 1 4 947 1 1 13 ASN OD1 O -1.683 -1.129 3.966 1.00 . A A . 13 ASN OD1 1 1 4 948 1 1 14 TYS C C 1.517 -4.426 -1.463 1.00 . A A . 14 TYS C 1 1 4 949 1 1 14 TYS CA C 0.536 -5.121 -0.522 1.00 . A A . 14 TYS CA 1 1 4 950 1 1 14 TYS CB C -0.471 -5.966 -1.313 1.00 . A A . 14 TYS CB 1 1 4 951 1 1 14 TYS CD1 C -1.641 -3.839 -1.973 1.00 . A A . 14 TYS CD1 1 1 4 952 1 1 14 TYS CD2 C -2.846 -5.882 -2.096 1.00 . A A . 14 TYS CD2 1 1 4 953 1 1 14 TYS CE1 C -2.749 -3.151 -2.424 1.00 . A A . 14 TYS CE1 1 1 4 954 1 1 14 TYS CE2 C -3.958 -5.209 -2.545 1.00 . A A . 14 TYS CE2 1 1 4 955 1 1 14 TYS CG C -1.675 -5.210 -1.804 1.00 . A A . 14 TYS CG 1 1 4 956 1 1 14 TYS CZ C -3.908 -3.841 -2.708 1.00 . A A . 14 TYS CZ 1 1 4 957 1 1 14 TYS H H -1.104 -4.081 0.327 1.00 . A A . 14 TYS H 1 1 4 958 1 1 14 TYS HA H 1.105 -5.762 0.120 1.00 . A A . 14 TYS HA 1 1 4 959 1 1 14 TYS HB2 H -0.833 -6.766 -0.686 1.00 . A A . 14 TYS HB2 1 1 4 960 1 1 14 TYS HB3 H 0.022 -6.391 -2.173 1.00 . A A . 14 TYS HB3 1 1 4 961 1 1 14 TYS HD1 H -0.730 -3.310 -1.741 1.00 . A A . 14 TYS HD1 1 1 4 962 1 1 14 TYS HD2 H -2.881 -6.953 -1.966 1.00 . A A . 14 TYS HD2 1 1 4 963 1 1 14 TYS HE1 H -2.703 -2.082 -2.549 1.00 . A A . 14 TYS HE1 1 1 4 964 1 1 14 TYS HE2 H -4.856 -5.755 -2.763 1.00 . A A . 14 TYS HE2 1 1 4 965 1 1 14 TYS N N -0.127 -4.154 0.337 1.00 . A A . 14 TYS N 1 1 4 966 1 1 14 TYS O O 2.377 -5.071 -2.062 1.00 . A A . 14 TYS O 1 1 4 967 1 1 14 TYS O1 O -3.727 -2.939 -5.484 1.00 . A A . 14 TYS O1 1 1 4 968 1 1 14 TYS O2 O -4.482 -0.962 -4.177 1.00 . A A . 14 TYS O2 1 1 4 969 1 1 14 TYS O3 O -6.113 -2.458 -5.168 1.00 . A A . 14 TYS O3 1 1 4 970 1 1 14 TYS OH O -4.973 -3.182 -3.278 1.00 . A A . 14 TYS OH 1 1 4 971 1 1 14 TYS S S -4.733 -2.381 -4.557 1.00 . A A . 14 TYS S 1 1 4 972 1 1 15 TYR C C 3.747 -2.555 -1.844 1.00 . A A . 15 TYR C 1 1 4 973 1 1 15 TYR CA C 2.335 -2.324 -2.366 1.00 . A A . 15 TYR CA 1 1 4 974 1 1 15 TYR CB C 1.962 -0.837 -2.301 1.00 . A A . 15 TYR CB 1 1 4 975 1 1 15 TYR CD1 C 2.406 -0.484 0.159 1.00 . A A . 15 TYR CD1 1 1 4 976 1 1 15 TYR CD2 C 3.407 1.025 -1.390 1.00 . A A . 15 TYR CD2 1 1 4 977 1 1 15 TYR CE1 C 2.989 0.199 1.209 1.00 . A A . 15 TYR CE1 1 1 4 978 1 1 15 TYR CE2 C 3.993 1.714 -0.345 1.00 . A A . 15 TYR CE2 1 1 4 979 1 1 15 TYR CG C 2.604 -0.084 -1.156 1.00 . A A . 15 TYR CG 1 1 4 980 1 1 15 TYR CZ C 3.782 1.297 0.952 1.00 . A A . 15 TYR CZ 1 1 4 981 1 1 15 TYR H H 0.743 -2.633 -1.021 1.00 . A A . 15 TYR H 1 1 4 982 1 1 15 TYR HA H 2.265 -2.674 -3.385 1.00 . A A . 15 TYR HA 1 1 4 983 1 1 15 TYR HB2 H 2.261 -0.357 -3.221 1.00 . A A . 15 TYR HB2 1 1 4 984 1 1 15 TYR HB3 H 0.888 -0.754 -2.186 1.00 . A A . 15 TYR HB3 1 1 4 985 1 1 15 TYR HD1 H 1.786 -1.347 0.356 1.00 . A A . 15 TYR HD1 1 1 4 986 1 1 15 TYR HD2 H 3.570 1.349 -2.407 1.00 . A A . 15 TYR HD2 1 1 4 987 1 1 15 TYR HE1 H 2.822 -0.129 2.225 1.00 . A A . 15 TYR HE1 1 1 4 988 1 1 15 TYR HE2 H 4.614 2.575 -0.547 1.00 . A A . 15 TYR HE2 1 1 4 989 1 1 15 TYR HH H 4.701 1.354 2.640 1.00 . A A . 15 TYR HH 1 1 4 990 1 1 15 TYR N N 1.420 -3.099 -1.548 1.00 . A A . 15 TYR N 1 1 4 991 1 1 15 TYR O O 4.728 -2.489 -2.583 1.00 . A A . 15 TYR O 1 1 4 992 1 1 15 TYR OH O 4.364 1.980 1.996 1.00 . A A . 15 TYR OH 1 1 4 993 1 1 16 THR C C 5.381 -4.620 0.011 1.00 . A A . 16 THR C 1 1 4 994 1 1 16 THR CA C 5.053 -3.137 0.138 1.00 . A A . 16 THR CA 1 1 4 995 1 1 16 THR CB C 4.912 -2.752 1.612 1.00 . A A . 16 THR CB 1 1 4 996 1 1 16 THR CG2 C 4.164 -3.780 2.440 1.00 . A A . 16 THR CG2 1 1 4 997 1 1 16 THR H H 2.977 -2.900 -0.037 1.00 . A A . 16 THR H 1 1 4 998 1 1 16 THR HA H 5.841 -2.553 -0.316 1.00 . A A . 16 THR HA 1 1 4 999 1 1 16 THR HB H 4.358 -1.828 1.670 1.00 . A A . 16 THR HB 1 1 4 1000 1 1 16 THR HG1 H 6.209 -1.688 2.624 1.00 . A A . 16 THR HG1 1 1 4 1001 1 1 16 THR HG21 H 3.571 -3.276 3.188 1.00 . A A . 16 THR HG21 1 1 4 1002 1 1 16 THR HG22 H 4.870 -4.439 2.921 1.00 . A A . 16 THR HG22 1 1 4 1003 1 1 16 THR HG23 H 3.514 -4.355 1.797 1.00 . A A . 16 THR HG23 1 1 4 1004 1 1 16 THR N N 3.810 -2.853 -0.549 1.00 . A A . 16 THR N 1 1 4 1005 1 1 16 THR O O 6.546 -5.014 -0.029 1.00 . A A . 16 THR O 1 1 4 1006 1 1 16 THR OG1 O 6.181 -2.554 2.210 1.00 . A A . 16 THR OG1 1 1 4 1007 1 1 17 SER C C 5.029 -7.289 -1.517 1.00 . A A . 17 SER C 1 1 4 1008 1 1 17 SER CA C 4.485 -6.881 -0.152 1.00 . A A . 17 SER CA 1 1 4 1009 1 1 17 SER CB C 3.152 -7.582 0.109 1.00 . A A . 17 SER CB 1 1 4 1010 1 1 17 SER H H 3.421 -5.047 0.008 1.00 . A A . 17 SER H 1 1 4 1011 1 1 17 SER HA H 5.193 -7.187 0.597 1.00 . A A . 17 SER HA 1 1 4 1012 1 1 17 SER HB2 H 2.846 -7.402 1.130 1.00 . A A . 17 SER HB2 1 1 4 1013 1 1 17 SER HB3 H 2.403 -7.190 -0.564 1.00 . A A . 17 SER HB3 1 1 4 1014 1 1 17 SER HG H 4.070 -9.300 0.313 1.00 . A A . 17 SER HG 1 1 4 1015 1 1 17 SER N N 4.329 -5.433 -0.041 1.00 . A A . 17 SER N 1 1 4 1016 1 1 17 SER O O 5.399 -8.445 -1.724 1.00 . A A . 17 SER O 1 1 4 1017 1 1 17 SER OG O 3.262 -8.980 -0.094 1.00 . A A . 17 SER OG 1 1 4 1018 1 1 18 GLU C C 7.120 -6.459 -3.810 1.00 . A A . 18 GLU C 1 1 4 1019 1 1 18 GLU CA C 5.602 -6.623 -3.779 1.00 . A A . 18 GLU CA 1 1 4 1020 1 1 18 GLU CB C 4.940 -5.715 -4.818 1.00 . A A . 18 GLU CB 1 1 4 1021 1 1 18 GLU CD C 3.103 -5.566 -6.546 1.00 . A A . 18 GLU CD 1 1 4 1022 1 1 18 GLU CG C 4.089 -6.467 -5.829 1.00 . A A . 18 GLU CG 1 1 4 1023 1 1 18 GLU H H 4.789 -5.439 -2.225 1.00 . A A . 18 GLU H 1 1 4 1024 1 1 18 GLU HA H 5.363 -7.651 -4.011 1.00 . A A . 18 GLU HA 1 1 4 1025 1 1 18 GLU HB2 H 4.308 -5.004 -4.307 1.00 . A A . 18 GLU HB2 1 1 4 1026 1 1 18 GLU HB3 H 5.709 -5.179 -5.356 1.00 . A A . 18 GLU HB3 1 1 4 1027 1 1 18 GLU HG2 H 4.740 -6.920 -6.562 1.00 . A A . 18 GLU HG2 1 1 4 1028 1 1 18 GLU HG3 H 3.538 -7.240 -5.312 1.00 . A A . 18 GLU HG3 1 1 4 1029 1 1 18 GLU N N 5.088 -6.342 -2.445 1.00 . A A . 18 GLU N 1 1 4 1030 1 1 18 GLU O O 7.844 -7.399 -4.139 1.00 . A A . 18 GLU O 1 1 4 1031 1 1 18 GLU OE1 O 1.999 -5.345 -6.007 1.00 . A A . 18 GLU OE1 1 1 4 1032 1 1 18 GLU OE2 O 3.436 -5.082 -7.649 1.00 . A A . 18 GLU OE2 1 1 4 1033 1 1 19 PRO C C 9.798 -5.660 -2.301 1.00 . A A . 19 PRO C 1 1 4 1034 1 1 19 PRO CA C 9.067 -4.980 -3.457 1.00 . A A . 19 PRO CA 1 1 4 1035 1 1 19 PRO CB C 9.148 -3.454 -3.298 1.00 . A A . 19 PRO CB 1 1 4 1036 1 1 19 PRO CD C 6.861 -4.081 -3.073 1.00 . A A . 19 PRO CD 1 1 4 1037 1 1 19 PRO CG C 7.757 -2.955 -3.492 1.00 . A A . 19 PRO CG 1 1 4 1038 1 1 19 PRO HA H 9.519 -5.267 -4.388 1.00 . A A . 19 PRO HA 1 1 4 1039 1 1 19 PRO HB2 H 9.514 -3.212 -2.308 1.00 . A A . 19 PRO HB2 1 1 4 1040 1 1 19 PRO HB3 H 9.819 -3.052 -4.045 1.00 . A A . 19 PRO HB3 1 1 4 1041 1 1 19 PRO HD2 H 6.699 -4.061 -2.008 1.00 . A A . 19 PRO HD2 1 1 4 1042 1 1 19 PRO HD3 H 5.930 -4.034 -3.604 1.00 . A A . 19 PRO HD3 1 1 4 1043 1 1 19 PRO HG2 H 7.587 -2.088 -2.871 1.00 . A A . 19 PRO HG2 1 1 4 1044 1 1 19 PRO HG3 H 7.594 -2.713 -4.531 1.00 . A A . 19 PRO HG3 1 1 4 1045 1 1 19 PRO N N 7.630 -5.259 -3.466 1.00 . A A . 19 PRO N 1 1 4 1046 1 1 19 PRO O O 10.633 -5.041 -1.639 1.00 . A A . 19 PRO O 1 1 4 1047 1 1 20 ALA C C 11.647 -7.583 -1.064 1.00 . A A . 20 ALA C 1 1 4 1048 1 1 20 ALA CA C 10.129 -7.677 -0.977 1.00 . A A . 20 ALA CA 1 1 4 1049 1 1 20 ALA CB C 9.684 -9.131 -1.001 1.00 . A A . 20 ALA CB 1 1 4 1050 1 1 20 ALA H H 8.821 -7.376 -2.611 1.00 . A A . 20 ALA H 1 1 4 1051 1 1 20 ALA HA H 9.813 -7.243 -0.048 1.00 . A A . 20 ALA HA 1 1 4 1052 1 1 20 ALA HB1 H 10.236 -9.689 -0.259 1.00 . A A . 20 ALA HB1 1 1 4 1053 1 1 20 ALA HB2 H 9.872 -9.549 -1.979 1.00 . A A . 20 ALA HB2 1 1 4 1054 1 1 20 ALA HB3 H 8.628 -9.188 -0.782 1.00 . A A . 20 ALA HB3 1 1 4 1055 1 1 20 ALA N N 9.490 -6.931 -2.057 1.00 . A A . 20 ALA N 1 1 4 1056 1 1 20 ALA O O 12.349 -7.691 -0.057 1.00 . A A . 20 ALA O 1 1 4 1057 1 1 21 GLN C C 14.029 -5.810 -2.323 1.00 . A A . 21 GLN C 1 1 4 1058 1 1 21 GLN CA C 13.572 -7.253 -2.511 1.00 . A A . 21 GLN CA 1 1 4 1059 1 1 21 GLN CB C 13.919 -7.733 -3.921 1.00 . A A . 21 GLN CB 1 1 4 1060 1 1 21 GLN CD C 15.458 -9.735 -3.976 1.00 . A A . 21 GLN CD 1 1 4 1061 1 1 21 GLN CG C 14.025 -9.245 -4.040 1.00 . A A . 21 GLN CG 1 1 4 1062 1 1 21 GLN H H 11.520 -7.292 -3.023 1.00 . A A . 21 GLN H 1 1 4 1063 1 1 21 GLN HA H 14.081 -7.876 -1.792 1.00 . A A . 21 GLN HA 1 1 4 1064 1 1 21 GLN HB2 H 13.154 -7.393 -4.603 1.00 . A A . 21 GLN HB2 1 1 4 1065 1 1 21 GLN HE21 H 15.046 -10.808 -2.354 1.00 . A A . 21 GLN HE21 1 1 4 1066 1 1 21 GLN HE22 H 16.676 -10.895 -2.917 1.00 . A A . 21 GLN HE22 1 1 4 1067 1 1 21 GLN HG2 H 13.471 -9.697 -3.231 1.00 . A A . 21 GLN HG2 1 1 4 1068 1 1 21 GLN N N 12.139 -7.374 -2.273 1.00 . A A . 21 GLN N 1 1 4 1069 1 1 21 GLN NE2 N 15.757 -10.563 -2.982 1.00 . A A . 21 GLN NE2 1 1 4 1070 1 1 21 GLN O O 15.143 -5.555 -1.865 1.00 . A A . 21 GLN O 1 1 4 1071 1 1 21 GLN OE1 O 16.287 -9.374 -4.811 1.00 . A A . 21 GLN OE1 1 1 4 1072 1 1 22 LYS C C 13.728 -3.081 -1.095 1.00 . A A . 22 LYS C 1 1 4 1073 1 1 22 LYS CA C 13.469 -3.451 -2.552 1.00 . A A . 22 LYS CA 1 1 4 1074 1 1 22 LYS CB C 12.321 -2.605 -3.108 1.00 . A A . 22 LYS CB 1 1 4 1075 1 1 22 LYS CD C 13.025 -0.645 -4.517 1.00 . A A . 22 LYS CD 1 1 4 1076 1 1 22 LYS CE C 14.429 -1.107 -4.875 1.00 . A A . 22 LYS CE 1 1 4 1077 1 1 22 LYS CG C 12.618 -1.115 -3.129 1.00 . A A . 22 LYS CG 1 1 4 1078 1 1 22 LYS H H 12.287 -5.138 -3.039 1.00 . A A . 22 LYS H 1 1 4 1079 1 1 22 LYS HA H 14.360 -3.253 -3.127 1.00 . A A . 22 LYS HA 1 1 4 1080 1 1 22 LYS HB2 H 12.113 -2.923 -4.119 1.00 . A A . 22 LYS HB2 1 1 4 1081 1 1 22 LYS HB3 H 11.444 -2.767 -2.500 1.00 . A A . 22 LYS HB3 1 1 4 1082 1 1 22 LYS HD2 H 12.330 -1.045 -5.239 1.00 . A A . 22 LYS HD2 1 1 4 1083 1 1 22 LYS HD3 H 12.992 0.435 -4.544 1.00 . A A . 22 LYS HD3 1 1 4 1084 1 1 22 LYS HE2 H 14.975 -0.271 -5.286 1.00 . A A . 22 LYS HE2 1 1 4 1085 1 1 22 LYS HE3 H 14.921 -1.451 -3.977 1.00 . A A . 22 LYS HE3 1 1 4 1086 1 1 22 LYS HG2 H 11.735 -0.577 -2.823 1.00 . A A . 22 LYS HG2 1 1 4 1087 1 1 22 LYS HG3 H 13.424 -0.909 -2.438 1.00 . A A . 22 LYS HG3 1 1 4 1088 1 1 22 LYS HZ1 H 14.318 -1.825 -6.834 1.00 . A A . 22 LYS HZ1 1 1 4 1089 1 1 22 LYS HZ2 H 13.611 -2.849 -5.687 1.00 . A A . 22 LYS HZ2 1 1 4 1090 1 1 22 LYS HZ3 H 15.295 -2.758 -5.816 1.00 . A A . 22 LYS HZ3 1 1 4 1091 1 1 22 LYS N N 13.159 -4.870 -2.681 1.00 . A A . 22 LYS N 1 1 4 1092 1 1 22 LYS NZ N 14.412 -2.212 -5.873 1.00 . A A . 22 LYS NZ 1 1 4 1093 1 1 22 LYS O O 14.851 -2.740 -0.722 1.00 . A A . 22 LYS O 1 1 4 1094 1 1 23 ILE C C 12.943 -4.083 1.984 1.00 . A A . 23 ILE C 1 1 4 1095 1 1 23 ILE CA C 12.797 -2.822 1.138 1.00 . A A . 23 ILE CA 1 1 4 1096 1 1 23 ILE CB C 11.575 -2.025 1.632 1.00 . A A . 23 ILE CB 1 1 4 1097 1 1 23 ILE CD1 C 9.905 -0.257 0.885 1.00 . A A . 23 ILE CD1 1 1 4 1098 1 1 23 ILE CG1 C 11.273 -0.869 0.678 1.00 . A A . 23 ILE CG1 1 1 4 1099 1 1 23 ILE CG2 C 11.816 -1.507 3.042 1.00 . A A . 23 ILE CG2 1 1 4 1100 1 1 23 ILE H H 11.814 -3.429 -0.635 1.00 . A A . 23 ILE H 1 1 4 1101 1 1 23 ILE HA H 13.678 -2.210 1.269 1.00 . A A . 23 ILE HA 1 1 4 1102 1 1 23 ILE HB H 10.726 -2.692 1.661 1.00 . A A . 23 ILE HB 1 1 4 1103 1 1 23 ILE HD11 H 9.298 -0.423 0.007 1.00 . A A . 23 ILE HD11 1 1 4 1104 1 1 23 ILE HD12 H 10.009 0.806 1.055 1.00 . A A . 23 ILE HD12 1 1 4 1105 1 1 23 ILE HD13 H 9.431 -0.713 1.742 1.00 . A A . 23 ILE HD13 1 1 4 1106 1 1 23 ILE HG12 H 12.009 -0.092 0.819 1.00 . A A . 23 ILE HG12 1 1 4 1107 1 1 23 ILE HG13 H 11.326 -1.228 -0.340 1.00 . A A . 23 ILE HG13 1 1 4 1108 1 1 23 ILE HG21 H 12.873 -1.344 3.190 1.00 . A A . 23 ILE HG21 1 1 4 1109 1 1 23 ILE HG22 H 11.459 -2.232 3.758 1.00 . A A . 23 ILE HG22 1 1 4 1110 1 1 23 ILE HG23 H 11.286 -0.576 3.179 1.00 . A A . 23 ILE HG23 1 1 4 1111 1 1 23 ILE N N 12.683 -3.151 -0.278 1.00 . A A . 23 ILE N 1 1 4 1112 1 1 23 ILE O O 11.963 -4.595 2.525 1.00 . A A . 23 ILE O 1 1 5 1113 1 1 7 SER C C -10.550 0.002 5.404 1.00 . A A . 7 SER C 1 1 5 1114 1 1 7 SER CA C -11.506 1.133 5.741 1.00 . A A . 7 SER CA 1 1 5 1115 1 1 7 SER CB C -10.784 2.208 6.541 1.00 . A A . 7 SER CB 1 1 5 1116 1 1 7 SER H H -12.998 1.281 7.219 1.00 . A A . 7 SER H 1 1 5 1117 1 1 7 SER HA H -11.860 1.562 4.825 1.00 . A A . 7 SER HA 1 1 5 1118 1 1 7 SER HB2 H -11.330 2.375 7.462 1.00 . A A . 7 SER HB2 1 1 5 1119 1 1 7 SER HB3 H -9.782 1.877 6.771 1.00 . A A . 7 SER HB3 1 1 5 1120 1 1 7 SER HG H -10.226 4.075 6.332 1.00 . A A . 7 SER HG 1 1 5 1121 1 1 7 SER N N -12.646 0.684 6.527 1.00 . A A . 7 SER N 1 1 5 1122 1 1 7 SER O O -9.627 -0.281 6.160 1.00 . A A . 7 SER O 1 1 5 1123 1 1 7 SER OG O -10.716 3.427 5.820 1.00 . A A . 7 SER OG 1 1 5 1124 1 1 8 PRO C C -8.608 -1.156 3.127 1.00 . A A . 8 PRO C 1 1 5 1125 1 1 8 PRO CA C -9.863 -1.707 3.772 1.00 . A A . 8 PRO CA 1 1 5 1126 1 1 8 PRO CB C -10.717 -2.426 2.745 1.00 . A A . 8 PRO CB 1 1 5 1127 1 1 8 PRO CD C -11.781 -0.332 3.229 1.00 . A A . 8 PRO CD 1 1 5 1128 1 1 8 PRO CG C -11.511 -1.330 2.127 1.00 . A A . 8 PRO CG 1 1 5 1129 1 1 8 PRO HA H -9.597 -2.366 4.568 1.00 . A A . 8 PRO HA 1 1 5 1130 1 1 8 PRO HB2 H -10.079 -2.918 2.022 1.00 . A A . 8 PRO HB2 1 1 5 1131 1 1 8 PRO HB3 H -11.354 -3.149 3.236 1.00 . A A . 8 PRO HB3 1 1 5 1132 1 1 8 PRO HD2 H -11.677 0.677 2.855 1.00 . A A . 8 PRO HD2 1 1 5 1133 1 1 8 PRO HD3 H -12.767 -0.483 3.639 1.00 . A A . 8 PRO HD3 1 1 5 1134 1 1 8 PRO HG2 H -10.934 -0.870 1.341 1.00 . A A . 8 PRO HG2 1 1 5 1135 1 1 8 PRO HG3 H -12.437 -1.721 1.738 1.00 . A A . 8 PRO HG3 1 1 5 1136 1 1 8 PRO N N -10.736 -0.633 4.229 1.00 . A A . 8 PRO N 1 1 5 1137 1 1 8 PRO O O -7.889 -1.858 2.416 1.00 . A A . 8 PRO O 1 1 5 1138 1 1 9 ILE C C -5.957 0.339 3.602 1.00 . A A . 9 ILE C 1 1 5 1139 1 1 9 ILE CA C -7.194 0.792 2.869 1.00 . A A . 9 ILE CA 1 1 5 1140 1 1 9 ILE CB C -7.339 2.332 2.950 1.00 . A A . 9 ILE CB 1 1 5 1141 1 1 9 ILE CD1 C -7.574 2.433 5.492 1.00 . A A . 9 ILE CD1 1 1 5 1142 1 1 9 ILE CG1 C -6.798 2.890 4.276 1.00 . A A . 9 ILE CG1 1 1 5 1143 1 1 9 ILE CG2 C -8.799 2.726 2.780 1.00 . A A . 9 ILE CG2 1 1 5 1144 1 1 9 ILE H H -8.966 0.595 3.977 1.00 . A A . 9 ILE H 1 1 5 1145 1 1 9 ILE HA H -7.097 0.511 1.843 1.00 . A A . 9 ILE HA 1 1 5 1146 1 1 9 ILE HB H -6.777 2.762 2.132 1.00 . A A . 9 ILE HB 1 1 5 1147 1 1 9 ILE HD11 H -7.027 1.651 5.997 1.00 . A A . 9 ILE HD11 1 1 5 1148 1 1 9 ILE HD12 H -8.538 2.059 5.185 1.00 . A A . 9 ILE HD12 1 1 5 1149 1 1 9 ILE HD13 H -7.710 3.267 6.165 1.00 . A A . 9 ILE HD13 1 1 5 1150 1 1 9 ILE HG12 H -5.769 2.577 4.401 1.00 . A A . 9 ILE HG12 1 1 5 1151 1 1 9 ILE HG13 H -6.839 3.972 4.243 1.00 . A A . 9 ILE HG13 1 1 5 1152 1 1 9 ILE HG21 H -9.214 2.208 1.928 1.00 . A A . 9 ILE HG21 1 1 5 1153 1 1 9 ILE HG22 H -8.870 3.792 2.625 1.00 . A A . 9 ILE HG22 1 1 5 1154 1 1 9 ILE HG23 H -9.349 2.452 3.670 1.00 . A A . 9 ILE HG23 1 1 5 1155 1 1 9 ILE N N -8.356 0.111 3.398 1.00 . A A . 9 ILE N 1 1 5 1156 1 1 9 ILE O O -4.847 0.406 3.083 1.00 . A A . 9 ILE O 1 1 5 1157 1 1 10 TYS C C -4.488 -1.912 5.029 1.00 . A A . 10 TYS C 1 1 5 1158 1 1 10 TYS CA C -5.049 -0.617 5.610 1.00 . A A . 10 TYS CA 1 1 5 1159 1 1 10 TYS CB C -5.424 -0.799 7.086 1.00 . A A . 10 TYS CB 1 1 5 1160 1 1 10 TYS CD1 C -7.447 -0.989 8.506 1.00 . A A . 10 TYS CD1 1 1 5 1161 1 1 10 TYS CD2 C -7.439 -2.168 6.449 1.00 . A A . 10 TYS CD2 1 1 5 1162 1 1 10 TYS CE1 C -8.699 -1.463 8.787 1.00 . A A . 10 TYS CE1 1 1 5 1163 1 1 10 TYS CE2 C -8.702 -2.651 6.718 1.00 . A A . 10 TYS CE2 1 1 5 1164 1 1 10 TYS CG C -6.798 -1.333 7.341 1.00 . A A . 10 TYS CG 1 1 5 1165 1 1 10 TYS CZ C -9.332 -2.297 7.893 1.00 . A A . 10 TYS CZ 1 1 5 1166 1 1 10 TYS H H -7.086 -0.163 5.157 1.00 . A A . 10 TYS H 1 1 5 1167 1 1 10 TYS HA H -4.280 0.126 5.544 1.00 . A A . 10 TYS HA 1 1 5 1168 1 1 10 TYS HB2 H -5.367 0.155 7.586 1.00 . A A . 10 TYS HB2 1 1 5 1169 1 1 10 TYS HB3 H -4.724 -1.476 7.546 1.00 . A A . 10 TYS HB3 1 1 5 1170 1 1 10 TYS HD1 H -6.950 -0.335 9.205 1.00 . A A . 10 TYS HD1 1 1 5 1171 1 1 10 TYS HD2 H -6.945 -2.433 5.529 1.00 . A A . 10 TYS HD2 1 1 5 1172 1 1 10 TYS HE1 H -9.176 -1.171 9.699 1.00 . A A . 10 TYS HE1 1 1 5 1173 1 1 10 TYS HE2 H -9.188 -3.298 6.012 1.00 . A A . 10 TYS HE2 1 1 5 1174 1 1 10 TYS N N -6.164 -0.135 4.810 1.00 . A A . 10 TYS N 1 1 5 1175 1 1 10 TYS O O -3.372 -2.317 5.354 1.00 . A A . 10 TYS O 1 1 5 1176 1 1 10 TYS O1 O -10.333 -5.136 7.010 1.00 . A A . 10 TYS O1 1 1 5 1177 1 1 10 TYS O2 O -9.596 -4.894 9.374 1.00 . A A . 10 TYS O2 1 1 5 1178 1 1 10 TYS O3 O -11.941 -4.662 8.803 1.00 . A A . 10 TYS O3 1 1 5 1179 1 1 10 TYS OH O -10.504 -2.920 8.253 1.00 . A A . 10 TYS OH 1 1 5 1180 1 1 10 TYS S S -10.531 -4.448 8.304 1.00 . A A . 10 TYS S 1 1 5 1181 1 1 11 ASP C C -4.040 -3.469 2.226 1.00 . A A . 11 ASP C 1 1 5 1182 1 1 11 ASP CA C -4.827 -3.773 3.499 1.00 . A A . 11 ASP CA 1 1 5 1183 1 1 11 ASP CB C -6.031 -4.656 3.167 1.00 . A A . 11 ASP CB 1 1 5 1184 1 1 11 ASP CG C -6.142 -5.852 4.094 1.00 . A A . 11 ASP CG 1 1 5 1185 1 1 11 ASP H H -6.127 -2.166 3.910 1.00 . A A . 11 ASP H 1 1 5 1186 1 1 11 ASP HA H -4.185 -4.299 4.187 1.00 . A A . 11 ASP HA 1 1 5 1187 1 1 11 ASP HB2 H -6.936 -4.070 3.255 1.00 . A A . 11 ASP HB2 1 1 5 1188 1 1 11 ASP HB3 H -5.933 -5.019 2.151 1.00 . A A . 11 ASP HB3 1 1 5 1189 1 1 11 ASP N N -5.258 -2.545 4.146 1.00 . A A . 11 ASP N 1 1 5 1190 1 1 11 ASP O O -3.515 -4.377 1.583 1.00 . A A . 11 ASP O 1 1 5 1191 1 1 11 ASP OD1 O -5.394 -6.832 3.890 1.00 . A A . 11 ASP OD1 1 1 5 1192 1 1 11 ASP OD2 O -6.977 -5.809 5.021 1.00 . A A . 11 ASP OD2 1 1 5 1193 1 1 12 ILE C C -1.765 -1.573 0.906 1.00 . A A . 12 ILE C 1 1 5 1194 1 1 12 ILE CA C -3.253 -1.792 0.645 1.00 . A A . 12 ILE CA 1 1 5 1195 1 1 12 ILE CB C -3.860 -0.526 0.001 1.00 . A A . 12 ILE CB 1 1 5 1196 1 1 12 ILE CD1 C -2.359 1.524 0.165 1.00 . A A . 12 ILE CD1 1 1 5 1197 1 1 12 ILE CG1 C -3.485 0.730 0.790 1.00 . A A . 12 ILE CG1 1 1 5 1198 1 1 12 ILE CG2 C -5.372 -0.656 -0.108 1.00 . A A . 12 ILE CG2 1 1 5 1199 1 1 12 ILE H H -4.414 -1.501 2.399 1.00 . A A . 12 ILE H 1 1 5 1200 1 1 12 ILE HA H -3.354 -2.599 -0.061 1.00 . A A . 12 ILE HA 1 1 5 1201 1 1 12 ILE HB H -3.463 -0.441 -1.001 1.00 . A A . 12 ILE HB 1 1 5 1202 1 1 12 ILE HD11 H -2.732 2.484 -0.158 1.00 . A A . 12 ILE HD11 1 1 5 1203 1 1 12 ILE HD12 H -1.968 0.985 -0.686 1.00 . A A . 12 ILE HD12 1 1 5 1204 1 1 12 ILE HD13 H -1.573 1.668 0.891 1.00 . A A . 12 ILE HD13 1 1 5 1205 1 1 12 ILE HG12 H -4.346 1.373 0.855 1.00 . A A . 12 ILE HG12 1 1 5 1206 1 1 12 ILE HG13 H -3.180 0.446 1.785 1.00 . A A . 12 ILE HG13 1 1 5 1207 1 1 12 ILE HG21 H -5.824 0.323 -0.032 1.00 . A A . 12 ILE HG21 1 1 5 1208 1 1 12 ILE HG22 H -5.739 -1.284 0.690 1.00 . A A . 12 ILE HG22 1 1 5 1209 1 1 12 ILE HG23 H -5.628 -1.096 -1.060 1.00 . A A . 12 ILE HG23 1 1 5 1210 1 1 12 ILE N N -3.970 -2.188 1.855 1.00 . A A . 12 ILE N 1 1 5 1211 1 1 12 ILE O O -1.078 -0.928 0.114 1.00 . A A . 12 ILE O 1 1 5 1212 1 1 13 ASN C C 0.966 -3.074 1.670 1.00 . A A . 13 ASN C 1 1 5 1213 1 1 13 ASN CA C 0.146 -2.000 2.346 1.00 . A A . 13 ASN CA 1 1 5 1214 1 1 13 ASN CB C 0.345 -2.067 3.852 1.00 . A A . 13 ASN CB 1 1 5 1215 1 1 13 ASN CG C -0.262 -3.316 4.463 1.00 . A A . 13 ASN CG 1 1 5 1216 1 1 13 ASN H H -1.851 -2.641 2.596 1.00 . A A . 13 ASN H 1 1 5 1217 1 1 13 ASN HA H 0.494 -1.052 1.986 1.00 . A A . 13 ASN HA 1 1 5 1218 1 1 13 ASN HB2 H 1.402 -2.063 4.062 1.00 . A A . 13 ASN HB2 1 1 5 1219 1 1 13 ASN HB3 H -0.116 -1.205 4.304 1.00 . A A . 13 ASN HB3 1 1 5 1220 1 1 13 ASN HD21 H 1.516 -3.867 5.164 1.00 . A A . 13 ASN HD21 1 1 5 1221 1 1 13 ASN HD22 H 0.205 -4.935 5.518 1.00 . A A . 13 ASN HD22 1 1 5 1222 1 1 13 ASN N N -1.264 -2.127 2.006 1.00 . A A . 13 ASN N 1 1 5 1223 1 1 13 ASN ND2 N 0.571 -4.121 5.114 1.00 . A A . 13 ASN ND2 1 1 5 1224 1 1 13 ASN O O 2.194 -3.039 1.703 1.00 . A A . 13 ASN O 1 1 5 1225 1 1 13 ASN OD1 O -1.463 -3.555 4.350 1.00 . A A . 13 ASN OD1 1 1 5 1226 1 1 14 TYS C C 1.846 -4.496 -0.786 1.00 . A A . 14 TYS C 1 1 5 1227 1 1 14 TYS CA C 0.985 -5.073 0.333 1.00 . A A . 14 TYS CA 1 1 5 1228 1 1 14 TYS CB C 0.002 -6.117 -0.202 1.00 . A A . 14 TYS CB 1 1 5 1229 1 1 14 TYS CD1 C -1.797 -6.468 -1.906 1.00 . A A . 14 TYS CD1 1 1 5 1230 1 1 14 TYS CD2 C -1.179 -4.231 -1.390 1.00 . A A . 14 TYS CD2 1 1 5 1231 1 1 14 TYS CE1 C -2.735 -6.009 -2.800 1.00 . A A . 14 TYS CE1 1 1 5 1232 1 1 14 TYS CE2 C -2.115 -3.761 -2.285 1.00 . A A . 14 TYS CE2 1 1 5 1233 1 1 14 TYS CG C -1.006 -5.590 -1.188 1.00 . A A . 14 TYS CG 1 1 5 1234 1 1 14 TYS CZ C -2.894 -4.653 -2.990 1.00 . A A . 14 TYS CZ 1 1 5 1235 1 1 14 TYS H H -0.687 -3.986 1.025 1.00 . A A . 14 TYS H 1 1 5 1236 1 1 14 TYS HA H 1.643 -5.539 1.043 1.00 . A A . 14 TYS HA 1 1 5 1237 1 1 14 TYS HB2 H -0.552 -6.529 0.623 1.00 . A A . 14 TYS HB2 1 1 5 1238 1 1 14 TYS HB3 H 0.553 -6.906 -0.685 1.00 . A A . 14 TYS HB3 1 1 5 1239 1 1 14 TYS HD1 H -1.671 -7.529 -1.756 1.00 . A A . 14 TYS HD1 1 1 5 1240 1 1 14 TYS HD2 H -0.569 -3.538 -0.836 1.00 . A A . 14 TYS HD2 1 1 5 1241 1 1 14 TYS HE1 H -3.340 -6.711 -3.342 1.00 . A A . 14 TYS HE1 1 1 5 1242 1 1 14 TYS HE2 H -2.234 -2.701 -2.426 1.00 . A A . 14 TYS HE2 1 1 5 1243 1 1 14 TYS N N 0.292 -4.016 1.035 1.00 . A A . 14 TYS N 1 1 5 1244 1 1 14 TYS O O 2.709 -5.182 -1.330 1.00 . A A . 14 TYS O 1 1 5 1245 1 1 14 TYS O1 O -2.448 -3.632 -5.790 1.00 . A A . 14 TYS O1 1 1 5 1246 1 1 14 TYS O2 O -3.429 -1.860 -4.348 1.00 . A A . 14 TYS O2 1 1 5 1247 1 1 14 TYS O3 O -4.873 -3.269 -5.692 1.00 . A A . 14 TYS O3 1 1 5 1248 1 1 14 TYS OH O -3.916 -4.189 -3.786 1.00 . A A . 14 TYS OH 1 1 5 1249 1 1 14 TYS S S -3.573 -3.227 -4.923 1.00 . A A . 14 TYS S 1 1 5 1250 1 1 15 TYR C C 3.906 -2.630 -1.678 1.00 . A A . 15 TYR C 1 1 5 1251 1 1 15 TYR CA C 2.442 -2.532 -2.089 1.00 . A A . 15 TYR CA 1 1 5 1252 1 1 15 TYR CB C 1.997 -1.067 -2.198 1.00 . A A . 15 TYR CB 1 1 5 1253 1 1 15 TYR CD1 C 2.645 -0.309 0.123 1.00 . A A . 15 TYR CD1 1 1 5 1254 1 1 15 TYR CD2 C 3.450 0.949 -1.735 1.00 . A A . 15 TYR CD2 1 1 5 1255 1 1 15 TYR CE1 C 3.293 0.550 0.991 1.00 . A A . 15 TYR CE1 1 1 5 1256 1 1 15 TYR CE2 C 4.102 1.812 -0.875 1.00 . A A . 15 TYR CE2 1 1 5 1257 1 1 15 TYR CG C 2.712 -0.125 -1.252 1.00 . A A . 15 TYR CG 1 1 5 1258 1 1 15 TYR CZ C 4.020 1.608 0.487 1.00 . A A . 15 TYR CZ 1 1 5 1259 1 1 15 TYR H H 0.976 -2.703 -0.591 1.00 . A A . 15 TYR H 1 1 5 1260 1 1 15 TYR HA H 2.299 -3.029 -3.037 1.00 . A A . 15 TYR HA 1 1 5 1261 1 1 15 TYR HB2 H 2.169 -0.717 -3.205 1.00 . A A . 15 TYR HB2 1 1 5 1262 1 1 15 TYR HB3 H 0.938 -1.010 -1.976 1.00 . A A . 15 TYR HB3 1 1 5 1263 1 1 15 TYR HD1 H 2.075 -1.139 0.514 1.00 . A A . 15 TYR HD1 1 1 5 1264 1 1 15 TYR HD2 H 3.512 1.106 -2.802 1.00 . A A . 15 TYR HD2 1 1 5 1265 1 1 15 TYR HE1 H 3.229 0.390 2.057 1.00 . A A . 15 TYR HE1 1 1 5 1266 1 1 15 TYR HE2 H 4.671 2.640 -1.269 1.00 . A A . 15 TYR HE2 1 1 5 1267 1 1 15 TYR HH H 4.053 2.768 2.020 1.00 . A A . 15 TYR HH 1 1 5 1268 1 1 15 TYR N N 1.644 -3.212 -1.086 1.00 . A A . 15 TYR N 1 1 5 1269 1 1 15 TYR O O 4.812 -2.666 -2.510 1.00 . A A . 15 TYR O 1 1 5 1270 1 1 15 TYR OH O 4.667 2.465 1.347 1.00 . A A . 15 TYR OH 1 1 5 1271 1 1 16 THR C C 5.790 -4.309 0.316 1.00 . A A . 16 THR C 1 1 5 1272 1 1 16 THR CA C 5.415 -2.835 0.232 1.00 . A A . 16 THR CA 1 1 5 1273 1 1 16 THR CB C 5.398 -2.213 1.630 1.00 . A A . 16 THR CB 1 1 5 1274 1 1 16 THR CG2 C 4.739 -3.089 2.679 1.00 . A A . 16 THR CG2 1 1 5 1275 1 1 16 THR H H 3.322 -2.689 0.227 1.00 . A A . 16 THR H 1 1 5 1276 1 1 16 THR HA H 6.131 -2.316 -0.388 1.00 . A A . 16 THR HA 1 1 5 1277 1 1 16 THR HB H 4.837 -1.293 1.584 1.00 . A A . 16 THR HB 1 1 5 1278 1 1 16 THR HG1 H 6.671 -1.292 2.799 1.00 . A A . 16 THR HG1 1 1 5 1279 1 1 16 THR HG21 H 4.140 -2.476 3.336 1.00 . A A . 16 THR HG21 1 1 5 1280 1 1 16 THR HG22 H 5.499 -3.597 3.254 1.00 . A A . 16 THR HG22 1 1 5 1281 1 1 16 THR HG23 H 4.107 -3.818 2.195 1.00 . A A . 16 THR HG23 1 1 5 1282 1 1 16 THR N N 4.101 -2.704 -0.365 1.00 . A A . 16 THR N 1 1 5 1283 1 1 16 THR O O 6.963 -4.675 0.248 1.00 . A A . 16 THR O 1 1 5 1284 1 1 16 THR OG1 O 6.710 -1.919 2.072 1.00 . A A . 16 THR OG1 1 1 5 1285 1 1 17 SER C C 5.395 -7.206 -0.750 1.00 . A A . 17 SER C 1 1 5 1286 1 1 17 SER CA C 4.972 -6.589 0.582 1.00 . A A . 17 SER CA 1 1 5 1287 1 1 17 SER CB C 3.701 -7.269 1.092 1.00 . A A . 17 SER CB 1 1 5 1288 1 1 17 SER H H 3.853 -4.783 0.537 1.00 . A A . 17 SER H 1 1 5 1289 1 1 17 SER HA H 5.763 -6.751 1.293 1.00 . A A . 17 SER HA 1 1 5 1290 1 1 17 SER HB2 H 3.298 -6.700 1.916 1.00 . A A . 17 SER HB2 1 1 5 1291 1 1 17 SER HB3 H 2.974 -7.312 0.294 1.00 . A A . 17 SER HB3 1 1 5 1292 1 1 17 SER HG H 4.163 -9.147 0.780 1.00 . A A . 17 SER HG 1 1 5 1293 1 1 17 SER N N 4.770 -5.148 0.476 1.00 . A A . 17 SER N 1 1 5 1294 1 1 17 SER O O 5.771 -8.378 -0.801 1.00 . A A . 17 SER O 1 1 5 1295 1 1 17 SER OG O 3.970 -8.587 1.536 1.00 . A A . 17 SER OG 1 1 5 1296 1 1 18 GLU C C 7.244 -6.747 -3.338 1.00 . A A . 18 GLU C 1 1 5 1297 1 1 18 GLU CA C 5.740 -6.922 -3.135 1.00 . A A . 18 GLU CA 1 1 5 1298 1 1 18 GLU CB C 4.968 -6.226 -4.267 1.00 . A A . 18 GLU CB 1 1 5 1299 1 1 18 GLU CD C 2.893 -4.973 -4.977 1.00 . A A . 18 GLU CD 1 1 5 1300 1 1 18 GLU CG C 3.705 -5.512 -3.815 1.00 . A A . 18 GLU CG 1 1 5 1301 1 1 18 GLU H H 5.048 -5.496 -1.725 1.00 . A A . 18 GLU H 1 1 5 1302 1 1 18 GLU HA H 5.516 -7.978 -3.160 1.00 . A A . 18 GLU HA 1 1 5 1303 1 1 18 GLU HB2 H 5.615 -5.502 -4.737 1.00 . A A . 18 GLU HB2 1 1 5 1304 1 1 18 GLU HB3 H 4.690 -6.970 -5.000 1.00 . A A . 18 GLU HB3 1 1 5 1305 1 1 18 GLU HG2 H 3.092 -6.207 -3.262 1.00 . A A . 18 GLU HG2 1 1 5 1306 1 1 18 GLU HG3 H 3.981 -4.687 -3.175 1.00 . A A . 18 GLU HG3 1 1 5 1307 1 1 18 GLU N N 5.345 -6.423 -1.821 1.00 . A A . 18 GLU N 1 1 5 1308 1 1 18 GLU O O 7.955 -7.716 -3.604 1.00 . A A . 18 GLU O 1 1 5 1309 1 1 18 GLU OE1 O 2.207 -5.775 -5.646 1.00 . A A . 18 GLU OE1 1 1 5 1310 1 1 18 GLU OE2 O 2.943 -3.748 -5.219 1.00 . A A . 18 GLU OE2 1 1 5 1311 1 1 19 PRO C C 10.046 -5.755 -2.247 1.00 . A A . 19 PRO C 1 1 5 1312 1 1 19 PRO CA C 9.182 -5.216 -3.387 1.00 . A A . 19 PRO CA 1 1 5 1313 1 1 19 PRO CB C 9.249 -3.681 -3.408 1.00 . A A . 19 PRO CB 1 1 5 1314 1 1 19 PRO CD C 7.002 -4.287 -2.915 1.00 . A A . 19 PRO CD 1 1 5 1315 1 1 19 PRO CG C 7.839 -3.226 -3.563 1.00 . A A . 19 PRO CG 1 1 5 1316 1 1 19 PRO HA H 9.541 -5.601 -4.323 1.00 . A A . 19 PRO HA 1 1 5 1317 1 1 19 PRO HB2 H 9.674 -3.325 -2.478 1.00 . A A . 19 PRO HB2 1 1 5 1318 1 1 19 PRO HB3 H 9.862 -3.359 -4.240 1.00 . A A . 19 PRO HB3 1 1 5 1319 1 1 19 PRO HD2 H 6.939 -4.123 -1.853 1.00 . A A . 19 PRO HD2 1 1 5 1320 1 1 19 PRO HD3 H 6.026 -4.319 -3.357 1.00 . A A . 19 PRO HD3 1 1 5 1321 1 1 19 PRO HG2 H 7.699 -2.280 -3.062 1.00 . A A . 19 PRO HG2 1 1 5 1322 1 1 19 PRO HG3 H 7.591 -3.141 -4.610 1.00 . A A . 19 PRO HG3 1 1 5 1323 1 1 19 PRO N N 7.757 -5.506 -3.215 1.00 . A A . 19 PRO N 1 1 5 1324 1 1 19 PRO O O 10.960 -5.074 -1.783 1.00 . A A . 19 PRO O 1 1 5 1325 1 1 20 ALA C C 12.014 -7.593 -1.035 1.00 . A A . 20 ALA C 1 1 5 1326 1 1 20 ALA CA C 10.526 -7.584 -0.716 1.00 . A A . 20 ALA CA 1 1 5 1327 1 1 20 ALA CB C 10.028 -8.995 -0.444 1.00 . A A . 20 ALA CB 1 1 5 1328 1 1 20 ALA H H 9.027 -7.475 -2.202 1.00 . A A . 20 ALA H 1 1 5 1329 1 1 20 ALA HA H 10.369 -6.995 0.168 1.00 . A A . 20 ALA HA 1 1 5 1330 1 1 20 ALA HB1 H 10.444 -9.351 0.487 1.00 . A A . 20 ALA HB1 1 1 5 1331 1 1 20 ALA HB2 H 10.336 -9.647 -1.248 1.00 . A A . 20 ALA HB2 1 1 5 1332 1 1 20 ALA HB3 H 8.951 -8.991 -0.378 1.00 . A A . 20 ALA HB3 1 1 5 1333 1 1 20 ALA N N 9.761 -6.974 -1.799 1.00 . A A . 20 ALA N 1 1 5 1334 1 1 20 ALA O O 12.857 -7.601 -0.138 1.00 . A A . 20 ALA O 1 1 5 1335 1 1 21 GLN C C 14.232 -6.148 -2.873 1.00 . A A . 21 GLN C 1 1 5 1336 1 1 21 GLN CA C 13.705 -7.576 -2.782 1.00 . A A . 21 GLN CA 1 1 5 1337 1 1 21 GLN CB C 13.814 -8.262 -4.145 1.00 . A A . 21 GLN CB 1 1 5 1338 1 1 21 GLN CD C 12.158 -9.974 -4.992 1.00 . A A . 21 GLN CD 1 1 5 1339 1 1 21 GLN CG C 13.379 -9.719 -4.129 1.00 . A A . 21 GLN CG 1 1 5 1340 1 1 21 GLN H H 11.599 -7.566 -2.977 1.00 . A A . 21 GLN H 1 1 5 1341 1 1 21 GLN HA H 14.297 -8.122 -2.064 1.00 . A A . 21 GLN HA 1 1 5 1342 1 1 21 GLN HB2 H 13.194 -7.731 -4.853 1.00 . A A . 21 GLN HB2 1 1 5 1343 1 1 21 GLN HE21 H 10.961 -9.407 -3.508 1.00 . A A . 21 GLN HE21 1 1 5 1344 1 1 21 GLN HE22 H 10.171 -9.888 -4.966 1.00 . A A . 21 GLN HE22 1 1 5 1345 1 1 21 GLN HG2 H 14.192 -10.327 -4.496 1.00 . A A . 21 GLN HG2 1 1 5 1346 1 1 21 GLN N N 12.322 -7.580 -2.321 1.00 . A A . 21 GLN N 1 1 5 1347 1 1 21 GLN NE2 N 10.978 -9.732 -4.432 1.00 . A A . 21 GLN NE2 1 1 5 1348 1 1 21 GLN O O 15.418 -5.897 -2.664 1.00 . A A . 21 GLN O 1 1 5 1349 1 1 21 GLN OE1 O 12.273 -10.384 -6.147 1.00 . A A . 21 GLN OE1 1 1 5 1350 1 1 22 LYS C C 14.205 -3.264 -1.972 1.00 . A A . 22 LYS C 1 1 5 1351 1 1 22 LYS CA C 13.704 -3.809 -3.304 1.00 . A A . 22 LYS CA 1 1 5 1352 1 1 22 LYS CB C 12.509 -2.984 -3.779 1.00 . A A . 22 LYS CB 1 1 5 1353 1 1 22 LYS CD C 11.862 -0.561 -3.584 1.00 . A A . 22 LYS CD 1 1 5 1354 1 1 22 LYS CE C 12.280 0.874 -3.865 1.00 . A A . 22 LYS CE 1 1 5 1355 1 1 22 LYS CG C 12.871 -1.553 -4.141 1.00 . A A . 22 LYS CG 1 1 5 1356 1 1 22 LYS H H 12.405 -5.478 -3.338 1.00 . A A . 22 LYS H 1 1 5 1357 1 1 22 LYS HA H 14.495 -3.732 -4.033 1.00 . A A . 22 LYS HA 1 1 5 1358 1 1 22 LYS HB2 H 12.081 -3.457 -4.649 1.00 . A A . 22 LYS HB2 1 1 5 1359 1 1 22 LYS HB3 H 11.769 -2.958 -2.993 1.00 . A A . 22 LYS HB3 1 1 5 1360 1 1 22 LYS HD2 H 10.902 -0.742 -4.043 1.00 . A A . 22 LYS HD2 1 1 5 1361 1 1 22 LYS HD3 H 11.785 -0.702 -2.516 1.00 . A A . 22 LYS HD3 1 1 5 1362 1 1 22 LYS HE2 H 12.499 0.972 -4.919 1.00 . A A . 22 LYS HE2 1 1 5 1363 1 1 22 LYS HE3 H 11.461 1.530 -3.607 1.00 . A A . 22 LYS HE3 1 1 5 1364 1 1 22 LYS HG2 H 13.845 -1.326 -3.733 1.00 . A A . 22 LYS HG2 1 1 5 1365 1 1 22 LYS HG3 H 12.899 -1.460 -5.217 1.00 . A A . 22 LYS HG3 1 1 5 1366 1 1 22 LYS HZ1 H 14.017 0.420 -2.797 1.00 . A A . 22 LYS HZ1 1 1 5 1367 1 1 22 LYS HZ2 H 13.199 1.789 -2.228 1.00 . A A . 22 LYS HZ2 1 1 5 1368 1 1 22 LYS HZ3 H 14.101 1.875 -3.656 1.00 . A A . 22 LYS HZ3 1 1 5 1369 1 1 22 LYS N N 13.337 -5.215 -3.186 1.00 . A A . 22 LYS N 1 1 5 1370 1 1 22 LYS NZ N 13.483 1.267 -3.081 1.00 . A A . 22 LYS NZ 1 1 5 1371 1 1 22 LYS O O 15.195 -2.535 -1.919 1.00 . A A . 22 LYS O 1 1 5 1372 1 1 23 ILE C C 14.111 -4.360 1.365 1.00 . A A . 23 ILE C 1 1 5 1373 1 1 23 ILE CA C 13.876 -3.174 0.438 1.00 . A A . 23 ILE CA 1 1 5 1374 1 1 23 ILE CB C 12.792 -2.259 1.047 1.00 . A A . 23 ILE CB 1 1 5 1375 1 1 23 ILE CD1 C 10.822 -3.438 2.148 1.00 . A A . 23 ILE CD1 1 1 5 1376 1 1 23 ILE CG1 C 11.398 -2.872 0.869 1.00 . A A . 23 ILE CG1 1 1 5 1377 1 1 23 ILE CG2 C 12.852 -0.877 0.413 1.00 . A A . 23 ILE CG2 1 1 5 1378 1 1 23 ILE H H 12.732 -4.208 -1.012 1.00 . A A . 23 ILE H 1 1 5 1379 1 1 23 ILE HA H 14.791 -2.607 0.358 1.00 . A A . 23 ILE HA 1 1 5 1380 1 1 23 ILE HB H 12.998 -2.151 2.100 1.00 . A A . 23 ILE HB 1 1 5 1381 1 1 23 ILE HD11 H 9.781 -3.161 2.228 1.00 . A A . 23 ILE HD11 1 1 5 1382 1 1 23 ILE HD12 H 11.365 -3.043 2.994 1.00 . A A . 23 ILE HD12 1 1 5 1383 1 1 23 ILE HD13 H 10.909 -4.515 2.136 1.00 . A A . 23 ILE HD13 1 1 5 1384 1 1 23 ILE HG12 H 10.721 -2.110 0.512 1.00 . A A . 23 ILE HG12 1 1 5 1385 1 1 23 ILE HG13 H 11.448 -3.669 0.145 1.00 . A A . 23 ILE HG13 1 1 5 1386 1 1 23 ILE HG21 H 12.004 -0.294 0.740 1.00 . A A . 23 ILE HG21 1 1 5 1387 1 1 23 ILE HG22 H 12.829 -0.972 -0.663 1.00 . A A . 23 ILE HG22 1 1 5 1388 1 1 23 ILE HG23 H 13.765 -0.383 0.711 1.00 . A A . 23 ILE HG23 1 1 5 1389 1 1 23 ILE N N 13.509 -3.624 -0.900 1.00 . A A . 23 ILE N 1 1 5 1390 1 1 23 ILE O O 13.257 -4.705 2.182 1.00 . A A . 23 ILE O 1 1 6 1391 1 1 7 SER C C -10.721 0.116 5.708 1.00 . A A . 7 SER C 1 1 6 1392 1 1 7 SER CA C -11.821 1.171 5.891 1.00 . A A . 7 SER CA 1 1 6 1393 1 1 7 SER CB C -12.551 0.946 7.204 1.00 . A A . 7 SER CB 1 1 6 1394 1 1 7 SER H H -13.623 0.666 4.927 1.00 . A A . 7 SER H 1 1 6 1395 1 1 7 SER HA H -11.347 2.141 5.921 1.00 . A A . 7 SER HA 1 1 6 1396 1 1 7 SER HB2 H -13.613 0.881 6.999 1.00 . A A . 7 SER HB2 1 1 6 1397 1 1 7 SER HB3 H -12.212 0.024 7.651 1.00 . A A . 7 SER HB3 1 1 6 1398 1 1 7 SER HG H -11.754 1.710 8.823 1.00 . A A . 7 SER HG 1 1 6 1399 1 1 7 SER N N -12.803 1.188 4.824 1.00 . A A . 7 SER N 1 1 6 1400 1 1 7 SER O O -9.749 0.131 6.458 1.00 . A A . 7 SER O 1 1 6 1401 1 1 7 SER OG O -12.322 2.012 8.110 1.00 . A A . 7 SER OG 1 1 6 1402 1 1 8 PRO C C -8.691 -1.276 3.585 1.00 . A A . 8 PRO C 1 1 6 1403 1 1 8 PRO CA C -9.774 -1.801 4.503 1.00 . A A . 8 PRO CA 1 1 6 1404 1 1 8 PRO CB C -10.531 -2.936 3.839 1.00 . A A . 8 PRO CB 1 1 6 1405 1 1 8 PRO CD C -11.878 -0.938 3.712 1.00 . A A . 8 PRO CD 1 1 6 1406 1 1 8 PRO CG C -11.558 -2.244 3.014 1.00 . A A . 8 PRO CG 1 1 6 1407 1 1 8 PRO HA H -9.340 -2.132 5.424 1.00 . A A . 8 PRO HA 1 1 6 1408 1 1 8 PRO HB2 H -9.851 -3.516 3.227 1.00 . A A . 8 PRO HB2 1 1 6 1409 1 1 8 PRO HB3 H -10.985 -3.564 4.593 1.00 . A A . 8 PRO HB3 1 1 6 1410 1 1 8 PRO HD2 H -11.837 -0.123 3.006 1.00 . A A . 8 PRO HD2 1 1 6 1411 1 1 8 PRO HD3 H -12.850 -0.990 4.182 1.00 . A A . 8 PRO HD3 1 1 6 1412 1 1 8 PRO HG2 H -11.156 -2.048 2.032 1.00 . A A . 8 PRO HG2 1 1 6 1413 1 1 8 PRO HG3 H -12.442 -2.857 2.942 1.00 . A A . 8 PRO HG3 1 1 6 1414 1 1 8 PRO N N -10.811 -0.803 4.716 1.00 . A A . 8 PRO N 1 1 6 1415 1 1 8 PRO O O -8.056 -2.028 2.846 1.00 . A A . 8 PRO O 1 1 6 1416 1 1 9 ILE C C -6.120 0.362 3.294 1.00 . A A . 9 ILE C 1 1 6 1417 1 1 9 ILE CA C -7.511 0.687 2.817 1.00 . A A . 9 ILE CA 1 1 6 1418 1 1 9 ILE CB C -7.721 2.210 2.808 1.00 . A A . 9 ILE CB 1 1 6 1419 1 1 9 ILE CD1 C -5.891 3.117 4.337 1.00 . A A . 9 ILE CD1 1 1 6 1420 1 1 9 ILE CG1 C -7.365 2.819 4.168 1.00 . A A . 9 ILE CG1 1 1 6 1421 1 1 9 ILE CG2 C -9.163 2.526 2.453 1.00 . A A . 9 ILE CG2 1 1 6 1422 1 1 9 ILE H H -9.044 0.565 4.245 1.00 . A A . 9 ILE H 1 1 6 1423 1 1 9 ILE HA H -7.620 0.323 1.823 1.00 . A A . 9 ILE HA 1 1 6 1424 1 1 9 ILE HB H -7.083 2.630 2.048 1.00 . A A . 9 ILE HB 1 1 6 1425 1 1 9 ILE HD11 H -5.531 2.648 5.241 1.00 . A A . 9 ILE HD11 1 1 6 1426 1 1 9 ILE HD12 H -5.745 4.185 4.403 1.00 . A A . 9 ILE HD12 1 1 6 1427 1 1 9 ILE HD13 H -5.346 2.729 3.488 1.00 . A A . 9 ILE HD13 1 1 6 1428 1 1 9 ILE HG12 H -7.906 3.748 4.291 1.00 . A A . 9 ILE HG12 1 1 6 1429 1 1 9 ILE HG13 H -7.656 2.129 4.951 1.00 . A A . 9 ILE HG13 1 1 6 1430 1 1 9 ILE HG21 H -9.259 2.623 1.382 1.00 . A A . 9 ILE HG21 1 1 6 1431 1 1 9 ILE HG22 H -9.456 3.450 2.929 1.00 . A A . 9 ILE HG22 1 1 6 1432 1 1 9 ILE HG23 H -9.799 1.725 2.802 1.00 . A A . 9 ILE HG23 1 1 6 1433 1 1 9 ILE N N -8.500 0.030 3.637 1.00 . A A . 9 ILE N 1 1 6 1434 1 1 9 ILE O O -5.192 0.221 2.505 1.00 . A A . 9 ILE O 1 1 6 1435 1 1 10 TYS C C -4.196 -1.446 4.687 1.00 . A A . 10 TYS C 1 1 6 1436 1 1 10 TYS CA C -4.696 -0.091 5.182 1.00 . A A . 10 TYS CA 1 1 6 1437 1 1 10 TYS CB C -4.725 -0.062 6.712 1.00 . A A . 10 TYS CB 1 1 6 1438 1 1 10 TYS CD1 C -6.431 0.247 8.480 1.00 . A A . 10 TYS CD1 1 1 6 1439 1 1 10 TYS CD2 C -6.874 -1.361 6.791 1.00 . A A . 10 TYS CD2 1 1 6 1440 1 1 10 TYS CE1 C -7.621 -0.041 9.086 1.00 . A A . 10 TYS CE1 1 1 6 1441 1 1 10 TYS CE2 C -8.079 -1.661 7.392 1.00 . A A . 10 TYS CE2 1 1 6 1442 1 1 10 TYS CG C -6.038 -0.404 7.332 1.00 . A A . 10 TYS CG 1 1 6 1443 1 1 10 TYS CZ C -8.451 -0.998 8.544 1.00 . A A . 10 TYS CZ 1 1 6 1444 1 1 10 TYS H H -6.784 0.355 5.155 1.00 . A A . 10 TYS H 1 1 6 1445 1 1 10 TYS HA H -4.007 0.656 4.843 1.00 . A A . 10 TYS HA 1 1 6 1446 1 1 10 TYS HB2 H -4.472 0.930 7.052 1.00 . A A . 10 TYS HB2 1 1 6 1447 1 1 10 TYS HB3 H -3.996 -0.758 7.092 1.00 . A A . 10 TYS HB3 1 1 6 1448 1 1 10 TYS HD1 H -5.779 0.996 8.902 1.00 . A A . 10 TYS HD1 1 1 6 1449 1 1 10 TYS HD2 H -6.577 -1.868 5.883 1.00 . A A . 10 TYS HD2 1 1 6 1450 1 1 10 TYS HE1 H -7.899 0.487 9.974 1.00 . A A . 10 TYS HE1 1 1 6 1451 1 1 10 TYS HE2 H -8.721 -2.406 6.961 1.00 . A A . 10 TYS HE2 1 1 6 1452 1 1 10 TYS N N -5.991 0.234 4.592 1.00 . A A . 10 TYS N 1 1 6 1453 1 1 10 TYS O O -3.016 -1.765 4.821 1.00 . A A . 10 TYS O 1 1 6 1454 1 1 10 TYS O1 O -8.852 -2.692 11.060 1.00 . A A . 10 TYS O1 1 1 6 1455 1 1 10 TYS O2 O -9.515 -0.316 11.374 1.00 . A A . 10 TYS O2 1 1 6 1456 1 1 10 TYS O3 O -11.175 -1.968 10.746 1.00 . A A . 10 TYS O3 1 1 6 1457 1 1 10 TYS OH O -9.672 -1.258 9.123 1.00 . A A . 10 TYS OH 1 1 6 1458 1 1 10 TYS S S -9.719 -1.583 10.617 1.00 . A A . 10 TYS S 1 1 6 1459 1 1 11 ASP C C -4.071 -3.417 2.200 1.00 . A A . 11 ASP C 1 1 6 1460 1 1 11 ASP CA C -4.728 -3.543 3.571 1.00 . A A . 11 ASP CA 1 1 6 1461 1 1 11 ASP CB C -5.957 -4.445 3.467 1.00 . A A . 11 ASP CB 1 1 6 1462 1 1 11 ASP CG C -6.165 -5.288 4.709 1.00 . A A . 11 ASP CG 1 1 6 1463 1 1 11 ASP H H -6.019 -1.930 4.008 1.00 . A A . 11 ASP H 1 1 6 1464 1 1 11 ASP HA H -4.023 -3.989 4.255 1.00 . A A . 11 ASP HA 1 1 6 1465 1 1 11 ASP HB2 H -6.836 -3.831 3.320 1.00 . A A . 11 ASP HB2 1 1 6 1466 1 1 11 ASP HB3 H -5.833 -5.109 2.618 1.00 . A A . 11 ASP HB3 1 1 6 1467 1 1 11 ASP N N -5.094 -2.236 4.099 1.00 . A A . 11 ASP N 1 1 6 1468 1 1 11 ASP O O -3.572 -4.401 1.653 1.00 . A A . 11 ASP O 1 1 6 1469 1 1 11 ASP OD1 O -5.159 -5.692 5.328 1.00 . A A . 11 ASP OD1 1 1 6 1470 1 1 11 ASP OD2 O -7.336 -5.543 5.064 1.00 . A A . 11 ASP OD2 1 1 6 1471 1 1 12 ILE C C -1.953 -1.827 0.420 1.00 . A A . 12 ILE C 1 1 6 1472 1 1 12 ILE CA C -3.470 -1.977 0.333 1.00 . A A . 12 ILE CA 1 1 6 1473 1 1 12 ILE CB C -4.073 -0.745 -0.373 1.00 . A A . 12 ILE CB 1 1 6 1474 1 1 12 ILE CD1 C -2.409 1.180 -0.255 1.00 . A A . 12 ILE CD1 1 1 6 1475 1 1 12 ILE CG1 C -3.659 0.553 0.323 1.00 . A A . 12 ILE CG1 1 1 6 1476 1 1 12 ILE CG2 C -5.589 -0.857 -0.424 1.00 . A A . 12 ILE CG2 1 1 6 1477 1 1 12 ILE H H -4.486 -1.455 2.118 1.00 . A A . 12 ILE H 1 1 6 1478 1 1 12 ILE HA H -3.686 -2.840 -0.272 1.00 . A A . 12 ILE HA 1 1 6 1479 1 1 12 ILE HB H -3.707 -0.732 -1.389 1.00 . A A . 12 ILE HB 1 1 6 1480 1 1 12 ILE HD11 H -2.295 0.874 -1.285 1.00 . A A . 12 ILE HD11 1 1 6 1481 1 1 12 ILE HD12 H -1.549 0.861 0.314 1.00 . A A . 12 ILE HD12 1 1 6 1482 1 1 12 ILE HD13 H -2.493 2.256 -0.207 1.00 . A A . 12 ILE HD13 1 1 6 1483 1 1 12 ILE HG12 H -4.459 1.265 0.230 1.00 . A A . 12 ILE HG12 1 1 6 1484 1 1 12 ILE HG13 H -3.481 0.356 1.368 1.00 . A A . 12 ILE HG13 1 1 6 1485 1 1 12 ILE HG21 H -6.026 0.127 -0.346 1.00 . A A . 12 ILE HG21 1 1 6 1486 1 1 12 ILE HG22 H -5.933 -1.470 0.396 1.00 . A A . 12 ILE HG22 1 1 6 1487 1 1 12 ILE HG23 H -5.885 -1.309 -1.360 1.00 . A A . 12 ILE HG23 1 1 6 1488 1 1 12 ILE N N -4.072 -2.205 1.642 1.00 . A A . 12 ILE N 1 1 6 1489 1 1 12 ILE O O -1.320 -1.302 -0.495 1.00 . A A . 12 ILE O 1 1 6 1490 1 1 13 ASN C C 0.784 -3.279 0.884 1.00 . A A . 13 ASN C 1 1 6 1491 1 1 13 ASN CA C 0.069 -2.236 1.705 1.00 . A A . 13 ASN CA 1 1 6 1492 1 1 13 ASN CB C 0.431 -2.417 3.168 1.00 . A A . 13 ASN CB 1 1 6 1493 1 1 13 ASN CG C -0.287 -3.589 3.812 1.00 . A A . 13 ASN CG 1 1 6 1494 1 1 13 ASN H H -1.920 -2.724 2.206 1.00 . A A . 13 ASN H 1 1 6 1495 1 1 13 ASN HA H 0.407 -1.274 1.376 1.00 . A A . 13 ASN HA 1 1 6 1496 1 1 13 ASN HB2 H 1.491 -2.589 3.238 1.00 . A A . 13 ASN HB2 1 1 6 1497 1 1 13 ASN HB3 H 0.174 -1.519 3.702 1.00 . A A . 13 ASN HB3 1 1 6 1498 1 1 13 ASN HD21 H 0.844 -4.871 2.796 1.00 . A A . 13 ASN HD21 1 1 6 1499 1 1 13 ASN HD22 H -0.329 -5.577 3.849 1.00 . A A . 13 ASN HD22 1 1 6 1500 1 1 13 ASN N N -1.372 -2.306 1.516 1.00 . A A . 13 ASN N 1 1 6 1501 1 1 13 ASN ND2 N 0.117 -4.801 3.450 1.00 . A A . 13 ASN ND2 1 1 6 1502 1 1 13 ASN O O 2.010 -3.296 0.826 1.00 . A A . 13 ASN O 1 1 6 1503 1 1 13 ASN OD1 O -1.189 -3.407 4.629 1.00 . A A . 13 ASN OD1 1 1 6 1504 1 1 14 TYS C C 1.506 -4.541 -1.683 1.00 . A A . 14 TYS C 1 1 6 1505 1 1 14 TYS CA C 0.629 -5.162 -0.594 1.00 . A A . 14 TYS CA 1 1 6 1506 1 1 14 TYS CB C -0.437 -6.082 -1.189 1.00 . A A . 14 TYS CB 1 1 6 1507 1 1 14 TYS CD1 C -2.726 -6.092 -2.198 1.00 . A A . 14 TYS CD1 1 1 6 1508 1 1 14 TYS CD2 C -1.614 -4.003 -2.011 1.00 . A A . 14 TYS CD2 1 1 6 1509 1 1 14 TYS CE1 C -3.812 -5.471 -2.765 1.00 . A A . 14 TYS CE1 1 1 6 1510 1 1 14 TYS CE2 C -2.698 -3.368 -2.579 1.00 . A A . 14 TYS CE2 1 1 6 1511 1 1 14 TYS CG C -1.611 -5.373 -1.813 1.00 . A A . 14 TYS CG 1 1 6 1512 1 1 14 TYS CZ C -3.800 -4.105 -2.958 1.00 . A A . 14 TYS CZ 1 1 6 1513 1 1 14 TYS H H -0.948 -4.081 0.303 1.00 . A A . 14 TYS H 1 1 6 1514 1 1 14 TYS HA H 1.270 -5.737 0.047 1.00 . A A . 14 TYS HA 1 1 6 1515 1 1 14 TYS HB2 H -0.827 -6.710 -0.405 1.00 . A A . 14 TYS HB2 1 1 6 1516 1 1 14 TYS HB3 H 0.013 -6.701 -1.947 1.00 . A A . 14 TYS HB3 1 1 6 1517 1 1 14 TYS HD1 H -2.737 -7.160 -2.047 1.00 . A A . 14 TYS HD1 1 1 6 1518 1 1 14 TYS HD2 H -0.753 -3.431 -1.708 1.00 . A A . 14 TYS HD2 1 1 6 1519 1 1 14 TYS HE1 H -4.666 -6.056 -3.052 1.00 . A A . 14 TYS HE1 1 1 6 1520 1 1 14 TYS HE2 H -2.678 -2.301 -2.724 1.00 . A A . 14 TYS HE2 1 1 6 1521 1 1 14 TYS N N 0.028 -4.139 0.233 1.00 . A A . 14 TYS N 1 1 6 1522 1 1 14 TYS O O 2.288 -5.235 -2.332 1.00 . A A . 14 TYS O 1 1 6 1523 1 1 14 TYS O1 O -6.496 -4.785 -2.416 1.00 . A A . 14 TYS O1 1 1 6 1524 1 1 14 TYS O2 O -6.816 -4.287 -4.832 1.00 . A A . 14 TYS O2 1 1 6 1525 1 1 14 TYS O3 O -6.745 -2.480 -3.217 1.00 . A A . 14 TYS O3 1 1 6 1526 1 1 14 TYS OH O -4.748 -3.527 -3.773 1.00 . A A . 14 TYS OH 1 1 6 1527 1 1 14 TYS S S -6.221 -3.861 -3.534 1.00 . A A . 14 TYS S 1 1 6 1528 1 1 15 TYR C C 3.687 -2.632 -2.355 1.00 . A A . 15 TYR C 1 1 6 1529 1 1 15 TYR CA C 2.234 -2.502 -2.794 1.00 . A A . 15 TYR CA 1 1 6 1530 1 1 15 TYR CB C 1.805 -1.031 -2.846 1.00 . A A . 15 TYR CB 1 1 6 1531 1 1 15 TYR CD1 C 2.376 -0.431 -0.459 1.00 . A A . 15 TYR CD1 1 1 6 1532 1 1 15 TYR CD2 C 3.218 0.963 -2.199 1.00 . A A . 15 TYR CD2 1 1 6 1533 1 1 15 TYR CE1 C 2.988 0.370 0.486 1.00 . A A . 15 TYR CE1 1 1 6 1534 1 1 15 TYR CE2 C 3.833 1.770 -1.259 1.00 . A A . 15 TYR CE2 1 1 6 1535 1 1 15 TYR CG C 2.480 -0.149 -1.815 1.00 . A A . 15 TYR CG 1 1 6 1536 1 1 15 TYR CZ C 3.715 1.469 0.081 1.00 . A A . 15 TYR CZ 1 1 6 1537 1 1 15 TYR H H 0.805 -2.713 -1.268 1.00 . A A . 15 TYR H 1 1 6 1538 1 1 15 TYR HA H 2.108 -2.957 -3.766 1.00 . A A . 15 TYR HA 1 1 6 1539 1 1 15 TYR HB2 H 2.029 -0.630 -3.822 1.00 . A A . 15 TYR HB2 1 1 6 1540 1 1 15 TYR HB3 H 0.738 -0.975 -2.673 1.00 . A A . 15 TYR HB3 1 1 6 1541 1 1 15 TYR HD1 H 1.807 -1.295 -0.145 1.00 . A A . 15 TYR HD1 1 1 6 1542 1 1 15 TYR HD2 H 3.309 1.197 -3.249 1.00 . A A . 15 TYR HD2 1 1 6 1543 1 1 15 TYR HE1 H 2.895 0.134 1.536 1.00 . A A . 15 TYR HE1 1 1 6 1544 1 1 15 TYR HE2 H 4.403 2.631 -1.577 1.00 . A A . 15 TYR HE2 1 1 6 1545 1 1 15 TYR HH H 3.739 2.387 1.770 1.00 . A A . 15 TYR HH 1 1 6 1546 1 1 15 TYR N N 1.411 -3.221 -1.838 1.00 . A A . 15 TYR N 1 1 6 1547 1 1 15 TYR O O 4.613 -2.619 -3.167 1.00 . A A . 15 TYR O 1 1 6 1548 1 1 15 TYR OH O 4.325 2.270 1.019 1.00 . A A . 15 TYR OH 1 1 6 1549 1 1 16 THR C C 5.564 -4.415 -0.507 1.00 . A A . 16 THR C 1 1 6 1550 1 1 16 THR CA C 5.150 -2.954 -0.423 1.00 . A A . 16 THR CA 1 1 6 1551 1 1 16 THR CB C 5.075 -2.503 1.038 1.00 . A A . 16 THR CB 1 1 6 1552 1 1 16 THR CG2 C 4.424 -3.518 1.959 1.00 . A A . 16 THR CG2 1 1 6 1553 1 1 16 THR H H 3.058 -2.804 -0.471 1.00 . A A . 16 THR H 1 1 6 1554 1 1 16 THR HA H 5.865 -2.349 -0.955 1.00 . A A . 16 THR HA 1 1 6 1555 1 1 16 THR HB H 4.483 -1.601 1.086 1.00 . A A . 16 THR HB 1 1 6 1556 1 1 16 THR HG1 H 6.289 -1.890 2.449 1.00 . A A . 16 THR HG1 1 1 6 1557 1 1 16 THR HG21 H 5.185 -4.023 2.534 1.00 . A A . 16 THR HG21 1 1 6 1558 1 1 16 THR HG22 H 3.879 -4.240 1.369 1.00 . A A . 16 THR HG22 1 1 6 1559 1 1 16 THR HG23 H 3.742 -3.012 2.625 1.00 . A A . 16 THR HG23 1 1 6 1560 1 1 16 THR N N 3.851 -2.785 -1.043 1.00 . A A . 16 THR N 1 1 6 1561 1 1 16 THR O O 6.750 -4.741 -0.566 1.00 . A A . 16 THR O 1 1 6 1562 1 1 16 THR OG1 O 6.365 -2.220 1.549 1.00 . A A . 16 THR OG1 1 1 6 1563 1 1 17 SER C C 5.419 -7.115 -1.930 1.00 . A A . 17 SER C 1 1 6 1564 1 1 17 SER CA C 4.809 -6.727 -0.587 1.00 . A A . 17 SER CA 1 1 6 1565 1 1 17 SER CB C 3.510 -7.499 -0.361 1.00 . A A . 17 SER CB 1 1 6 1566 1 1 17 SER H H 3.635 -4.959 -0.454 1.00 . A A . 17 SER H 1 1 6 1567 1 1 17 SER HA H 5.509 -6.980 0.188 1.00 . A A . 17 SER HA 1 1 6 1568 1 1 17 SER HB2 H 2.675 -6.881 -0.653 1.00 . A A . 17 SER HB2 1 1 6 1569 1 1 17 SER HB3 H 3.519 -8.399 -0.958 1.00 . A A . 17 SER HB3 1 1 6 1570 1 1 17 SER HG H 3.336 -8.812 1.082 1.00 . A A . 17 SER HG 1 1 6 1571 1 1 17 SER N N 4.565 -5.291 -0.509 1.00 . A A . 17 SER N 1 1 6 1572 1 1 17 SER O O 5.940 -8.219 -2.088 1.00 . A A . 17 SER O 1 1 6 1573 1 1 17 SER OG O 3.358 -7.856 1.002 1.00 . A A . 17 SER OG 1 1 6 1574 1 1 18 GLU C C 7.437 -6.256 -4.192 1.00 . A A . 18 GLU C 1 1 6 1575 1 1 18 GLU CA C 5.922 -6.457 -4.212 1.00 . A A . 18 GLU CA 1 1 6 1576 1 1 18 GLU CB C 5.271 -5.552 -5.263 1.00 . A A . 18 GLU CB 1 1 6 1577 1 1 18 GLU CD C 3.076 -6.640 -5.881 1.00 . A A . 18 GLU CD 1 1 6 1578 1 1 18 GLU CG C 4.489 -6.314 -6.322 1.00 . A A . 18 GLU CG 1 1 6 1579 1 1 18 GLU H H 4.943 -5.339 -2.704 1.00 . A A . 18 GLU H 1 1 6 1580 1 1 18 GLU HA H 5.716 -7.488 -4.460 1.00 . A A . 18 GLU HA 1 1 6 1581 1 1 18 GLU HB2 H 4.593 -4.873 -4.767 1.00 . A A . 18 GLU HB2 1 1 6 1582 1 1 18 GLU HB3 H 6.041 -4.979 -5.758 1.00 . A A . 18 GLU HB3 1 1 6 1583 1 1 18 GLU HG2 H 4.441 -5.713 -7.217 1.00 . A A . 18 GLU HG2 1 1 6 1584 1 1 18 GLU HG3 H 5.007 -7.238 -6.537 1.00 . A A . 18 GLU HG3 1 1 6 1585 1 1 18 GLU N N 5.363 -6.202 -2.890 1.00 . A A . 18 GLU N 1 1 6 1586 1 1 18 GLU O O 8.191 -7.193 -4.455 1.00 . A A . 18 GLU O 1 1 6 1587 1 1 18 GLU OE1 O 2.436 -5.774 -5.250 1.00 . A A . 18 GLU OE1 1 1 6 1588 1 1 18 GLU OE2 O 2.609 -7.763 -6.168 1.00 . A A . 18 GLU OE2 1 1 6 1589 1 1 19 PRO C C 10.052 -5.388 -2.644 1.00 . A A . 19 PRO C 1 1 6 1590 1 1 19 PRO CA C 9.344 -4.727 -3.827 1.00 . A A . 19 PRO CA 1 1 6 1591 1 1 19 PRO CB C 9.394 -3.199 -3.675 1.00 . A A . 19 PRO CB 1 1 6 1592 1 1 19 PRO CD C 7.107 -3.849 -3.563 1.00 . A A . 19 PRO CD 1 1 6 1593 1 1 19 PRO CG C 8.013 -2.727 -3.970 1.00 . A A . 19 PRO CG 1 1 6 1594 1 1 19 PRO HA H 9.829 -5.011 -4.742 1.00 . A A . 19 PRO HA 1 1 6 1595 1 1 19 PRO HB2 H 9.685 -2.946 -2.663 1.00 . A A . 19 PRO HB2 1 1 6 1596 1 1 19 PRO HB3 H 10.109 -2.791 -4.375 1.00 . A A . 19 PRO HB3 1 1 6 1597 1 1 19 PRO HD2 H 6.890 -3.798 -2.510 1.00 . A A . 19 PRO HD2 1 1 6 1598 1 1 19 PRO HD3 H 6.205 -3.830 -4.142 1.00 . A A . 19 PRO HD3 1 1 6 1599 1 1 19 PRO HG2 H 7.795 -1.839 -3.394 1.00 . A A . 19 PRO HG2 1 1 6 1600 1 1 19 PRO HG3 H 7.910 -2.526 -5.027 1.00 . A A . 19 PRO HG3 1 1 6 1601 1 1 19 PRO N N 7.911 -5.032 -3.880 1.00 . A A . 19 PRO N 1 1 6 1602 1 1 19 PRO O O 10.838 -4.744 -1.949 1.00 . A A . 19 PRO O 1 1 6 1603 1 1 20 ALA C C 11.918 -7.391 -1.435 1.00 . A A . 20 ALA C 1 1 6 1604 1 1 20 ALA CA C 10.400 -7.399 -1.315 1.00 . A A . 20 ALA CA 1 1 6 1605 1 1 20 ALA CB C 9.878 -8.827 -1.260 1.00 . A A . 20 ALA CB 1 1 6 1606 1 1 20 ALA H H 9.147 -7.137 -2.998 1.00 . A A . 20 ALA H 1 1 6 1607 1 1 20 ALA HA H 10.126 -6.905 -0.400 1.00 . A A . 20 ALA HA 1 1 6 1608 1 1 20 ALA HB1 H 8.933 -8.846 -0.738 1.00 . A A . 20 ALA HB1 1 1 6 1609 1 1 20 ALA HB2 H 10.589 -9.450 -0.737 1.00 . A A . 20 ALA HB2 1 1 6 1610 1 1 20 ALA HB3 H 9.743 -9.201 -2.264 1.00 . A A . 20 ALA HB3 1 1 6 1611 1 1 20 ALA N N 9.777 -6.670 -2.416 1.00 . A A . 20 ALA N 1 1 6 1612 1 1 20 ALA O O 12.632 -7.609 -0.456 1.00 . A A . 20 ALA O 1 1 6 1613 1 1 21 GLN C C 14.412 -5.719 -2.539 1.00 . A A . 21 GLN C 1 1 6 1614 1 1 21 GLN CA C 13.835 -7.086 -2.900 1.00 . A A . 21 GLN CA 1 1 6 1615 1 1 21 GLN CB C 14.118 -7.399 -4.370 1.00 . A A . 21 GLN CB 1 1 6 1616 1 1 21 GLN CD C 12.623 -8.641 -5.985 1.00 . A A . 21 GLN CD 1 1 6 1617 1 1 21 GLN CG C 13.588 -8.750 -4.819 1.00 . A A . 21 GLN CG 1 1 6 1618 1 1 21 GLN H H 11.778 -6.964 -3.373 1.00 . A A . 21 GLN H 1 1 6 1619 1 1 21 GLN HA H 14.307 -7.837 -2.284 1.00 . A A . 21 GLN HA 1 1 6 1620 1 1 21 GLN HB2 H 13.663 -6.634 -4.983 1.00 . A A . 21 GLN HB2 1 1 6 1621 1 1 21 GLN HE21 H 11.095 -8.422 -4.733 1.00 . A A . 21 GLN HE21 1 1 6 1622 1 1 21 GLN HE22 H 10.697 -8.393 -6.414 1.00 . A A . 21 GLN HE22 1 1 6 1623 1 1 21 GLN HG2 H 14.420 -9.370 -5.118 1.00 . A A . 21 GLN HG2 1 1 6 1624 1 1 21 GLN N N 12.402 -7.132 -2.640 1.00 . A A . 21 GLN N 1 1 6 1625 1 1 21 GLN NE2 N 11.342 -8.468 -5.680 1.00 . A A . 21 GLN NE2 1 1 6 1626 1 1 21 GLN O O 15.620 -5.574 -2.360 1.00 . A A . 21 GLN O 1 1 6 1627 1 1 21 GLN OE1 O 13.025 -8.710 -7.148 1.00 . A A . 21 GLN OE1 1 1 6 1628 1 1 22 LYS C C 14.851 -3.365 -0.849 1.00 . A A . 22 LYS C 1 1 6 1629 1 1 22 LYS CA C 13.964 -3.362 -2.092 1.00 . A A . 22 LYS CA 1 1 6 1630 1 1 22 LYS CB C 12.747 -2.465 -1.861 1.00 . A A . 22 LYS CB 1 1 6 1631 1 1 22 LYS CD C 12.515 -0.365 -0.489 1.00 . A A . 22 LYS CD 1 1 6 1632 1 1 22 LYS CE C 11.265 0.447 -0.790 1.00 . A A . 22 LYS CE 1 1 6 1633 1 1 22 LYS CG C 13.094 -0.988 -1.750 1.00 . A A . 22 LYS CG 1 1 6 1634 1 1 22 LYS H H 12.588 -4.891 -2.586 1.00 . A A . 22 LYS H 1 1 6 1635 1 1 22 LYS HA H 14.531 -2.975 -2.926 1.00 . A A . 22 LYS HA 1 1 6 1636 1 1 22 LYS HB2 H 12.060 -2.590 -2.685 1.00 . A A . 22 LYS HB2 1 1 6 1637 1 1 22 LYS HB3 H 12.257 -2.769 -0.947 1.00 . A A . 22 LYS HB3 1 1 6 1638 1 1 22 LYS HD2 H 12.262 -1.151 0.207 1.00 . A A . 22 LYS HD2 1 1 6 1639 1 1 22 LYS HD3 H 13.256 0.284 -0.046 1.00 . A A . 22 LYS HD3 1 1 6 1640 1 1 22 LYS HE2 H 11.129 1.178 -0.006 1.00 . A A . 22 LYS HE2 1 1 6 1641 1 1 22 LYS HE3 H 11.398 0.953 -1.734 1.00 . A A . 22 LYS HE3 1 1 6 1642 1 1 22 LYS HG2 H 14.169 -0.882 -1.729 1.00 . A A . 22 LYS HG2 1 1 6 1643 1 1 22 LYS HG3 H 12.697 -0.470 -2.612 1.00 . A A . 22 LYS HG3 1 1 6 1644 1 1 22 LYS HZ1 H 10.197 -1.288 -0.329 1.00 . A A . 22 LYS HZ1 1 1 6 1645 1 1 22 LYS HZ2 H 9.845 -0.652 -1.857 1.00 . A A . 22 LYS HZ2 1 1 6 1646 1 1 22 LYS HZ3 H 9.231 0.093 -0.468 1.00 . A A . 22 LYS HZ3 1 1 6 1647 1 1 22 LYS N N 13.539 -4.717 -2.432 1.00 . A A . 22 LYS N 1 1 6 1648 1 1 22 LYS NZ N 10.049 -0.410 -0.866 1.00 . A A . 22 LYS NZ 1 1 6 1649 1 1 22 LYS O O 15.846 -2.643 -0.783 1.00 . A A . 22 LYS O 1 1 6 1650 1 1 23 ILE C C 15.371 -5.741 1.811 1.00 . A A . 23 ILE C 1 1 6 1651 1 1 23 ILE CA C 15.240 -4.287 1.371 1.00 . A A . 23 ILE CA 1 1 6 1652 1 1 23 ILE CB C 14.577 -3.477 2.503 1.00 . A A . 23 ILE CB 1 1 6 1653 1 1 23 ILE CD1 C 12.887 -4.966 3.687 1.00 . A A . 23 ILE CD1 1 1 6 1654 1 1 23 ILE CG1 C 13.111 -3.880 2.657 1.00 . A A . 23 ILE CG1 1 1 6 1655 1 1 23 ILE CG2 C 14.697 -1.986 2.229 1.00 . A A . 23 ILE CG2 1 1 6 1656 1 1 23 ILE H H 13.679 -4.733 0.015 1.00 . A A . 23 ILE H 1 1 6 1657 1 1 23 ILE HA H 16.226 -3.883 1.196 1.00 . A A . 23 ILE HA 1 1 6 1658 1 1 23 ILE HB H 15.101 -3.692 3.422 1.00 . A A . 23 ILE HB 1 1 6 1659 1 1 23 ILE HD11 H 13.558 -4.816 4.521 1.00 . A A . 23 ILE HD11 1 1 6 1660 1 1 23 ILE HD12 H 13.078 -5.931 3.241 1.00 . A A . 23 ILE HD12 1 1 6 1661 1 1 23 ILE HD13 H 11.866 -4.926 4.036 1.00 . A A . 23 ILE HD13 1 1 6 1662 1 1 23 ILE HG12 H 12.536 -3.017 2.956 1.00 . A A . 23 ILE HG12 1 1 6 1663 1 1 23 ILE HG13 H 12.741 -4.242 1.708 1.00 . A A . 23 ILE HG13 1 1 6 1664 1 1 23 ILE HG21 H 13.781 -1.628 1.782 1.00 . A A . 23 ILE HG21 1 1 6 1665 1 1 23 ILE HG22 H 15.520 -1.809 1.553 1.00 . A A . 23 ILE HG22 1 1 6 1666 1 1 23 ILE HG23 H 14.874 -1.462 3.156 1.00 . A A . 23 ILE HG23 1 1 6 1667 1 1 23 ILE N N 14.481 -4.183 0.131 1.00 . A A . 23 ILE N 1 1 6 1668 1 1 23 ILE O O 15.319 -6.050 3.001 1.00 . A A . 23 ILE O 1 1 7 1669 1 1 7 SER C C -10.355 0.553 4.353 1.00 . A A . 7 SER C 1 1 7 1670 1 1 7 SER CA C -11.164 1.816 4.573 1.00 . A A . 7 SER CA 1 1 7 1671 1 1 7 SER CB C -10.392 2.785 5.452 1.00 . A A . 7 SER CB 1 1 7 1672 1 1 7 SER H H -12.776 2.209 5.866 1.00 . A A . 7 SER H 1 1 7 1673 1 1 7 SER HA H -11.336 2.274 3.622 1.00 . A A . 7 SER HA 1 1 7 1674 1 1 7 SER HB2 H -10.955 2.938 6.367 1.00 . A A . 7 SER HB2 1 1 7 1675 1 1 7 SER HB3 H -9.426 2.369 5.688 1.00 . A A . 7 SER HB3 1 1 7 1676 1 1 7 SER HG H -11.047 4.322 4.427 1.00 . A A . 7 SER HG 1 1 7 1677 1 1 7 SER N N -12.443 1.558 5.213 1.00 . A A . 7 SER N 1 1 7 1678 1 1 7 SER O O -9.552 0.169 5.195 1.00 . A A . 7 SER O 1 1 7 1679 1 1 7 SER OG O -10.214 4.036 4.809 1.00 . A A . 7 SER OG 1 1 7 1680 1 1 8 PRO C C -8.277 -0.920 2.633 1.00 . A A . 8 PRO C 1 1 7 1681 1 1 8 PRO CA C -9.734 -1.268 2.829 1.00 . A A . 8 PRO CA 1 1 7 1682 1 1 8 PRO CB C -10.361 -1.759 1.517 1.00 . A A . 8 PRO CB 1 1 7 1683 1 1 8 PRO CD C -11.352 0.351 2.068 1.00 . A A . 8 PRO CD 1 1 7 1684 1 1 8 PRO CG C -11.597 -0.938 1.338 1.00 . A A . 8 PRO CG 1 1 7 1685 1 1 8 PRO HA H -9.818 -2.017 3.589 1.00 . A A . 8 PRO HA 1 1 7 1686 1 1 8 PRO HB2 H -9.662 -1.602 0.704 1.00 . A A . 8 PRO HB2 1 1 7 1687 1 1 8 PRO HB3 H -10.597 -2.811 1.600 1.00 . A A . 8 PRO HB3 1 1 7 1688 1 1 8 PRO HD2 H -10.828 1.059 1.437 1.00 . A A . 8 PRO HD2 1 1 7 1689 1 1 8 PRO HD3 H -12.279 0.772 2.428 1.00 . A A . 8 PRO HD3 1 1 7 1690 1 1 8 PRO HG2 H -11.765 -0.749 0.288 1.00 . A A . 8 PRO HG2 1 1 7 1691 1 1 8 PRO HG3 H -12.441 -1.456 1.768 1.00 . A A . 8 PRO HG3 1 1 7 1692 1 1 8 PRO N N -10.501 -0.078 3.175 1.00 . A A . 8 PRO N 1 1 7 1693 1 1 8 PRO O O -7.470 -1.737 2.190 1.00 . A A . 8 PRO O 1 1 7 1694 1 1 9 ILE C C -5.710 0.063 3.852 1.00 . A A . 9 ILE C 1 1 7 1695 1 1 9 ILE CA C -6.616 0.816 2.899 1.00 . A A . 9 ILE CA 1 1 7 1696 1 1 9 ILE CB C -6.566 2.334 3.187 1.00 . A A . 9 ILE CB 1 1 7 1697 1 1 9 ILE CD1 C -5.201 2.669 5.312 1.00 . A A . 9 ILE CD1 1 1 7 1698 1 1 9 ILE CG1 C -6.581 2.611 4.695 1.00 . A A . 9 ILE CG1 1 1 7 1699 1 1 9 ILE CG2 C -7.733 3.039 2.511 1.00 . A A . 9 ILE CG2 1 1 7 1700 1 1 9 ILE H H -8.652 0.885 3.349 1.00 . A A . 9 ILE H 1 1 7 1701 1 1 9 ILE HA H -6.275 0.644 1.902 1.00 . A A . 9 ILE HA 1 1 7 1702 1 1 9 ILE HB H -5.657 2.724 2.764 1.00 . A A . 9 ILE HB 1 1 7 1703 1 1 9 ILE HD11 H -4.887 3.698 5.394 1.00 . A A . 9 ILE HD11 1 1 7 1704 1 1 9 ILE HD12 H -4.505 2.128 4.689 1.00 . A A . 9 ILE HD12 1 1 7 1705 1 1 9 ILE HD13 H -5.228 2.221 6.295 1.00 . A A . 9 ILE HD13 1 1 7 1706 1 1 9 ILE HG12 H -7.064 3.562 4.875 1.00 . A A . 9 ILE HG12 1 1 7 1707 1 1 9 ILE HG13 H -7.137 1.825 5.193 1.00 . A A . 9 ILE HG13 1 1 7 1708 1 1 9 ILE HG21 H -7.535 4.100 2.463 1.00 . A A . 9 ILE HG21 1 1 7 1709 1 1 9 ILE HG22 H -8.636 2.866 3.078 1.00 . A A . 9 ILE HG22 1 1 7 1710 1 1 9 ILE HG23 H -7.857 2.652 1.510 1.00 . A A . 9 ILE HG23 1 1 7 1711 1 1 9 ILE N N -7.958 0.309 2.993 1.00 . A A . 9 ILE N 1 1 7 1712 1 1 9 ILE O O -4.490 0.099 3.729 1.00 . A A . 9 ILE O 1 1 7 1713 1 1 10 TYS C C -4.886 -2.604 5.055 1.00 . A A . 10 TYS C 1 1 7 1714 1 1 10 TYS CA C -5.538 -1.417 5.751 1.00 . A A . 10 TYS CA 1 1 7 1715 1 1 10 TYS CB C -6.348 -1.930 6.956 1.00 . A A . 10 TYS CB 1 1 7 1716 1 1 10 TYS CD1 C -8.239 -0.540 7.755 1.00 . A A . 10 TYS CD1 1 1 7 1717 1 1 10 TYS CD2 C -8.753 -2.363 6.321 1.00 . A A . 10 TYS CD2 1 1 7 1718 1 1 10 TYS CE1 C -9.571 -0.239 7.867 1.00 . A A . 10 TYS CE1 1 1 7 1719 1 1 10 TYS CE2 C -10.098 -2.065 6.415 1.00 . A A . 10 TYS CE2 1 1 7 1720 1 1 10 TYS CG C -7.808 -1.597 6.989 1.00 . A A . 10 TYS CG 1 1 7 1721 1 1 10 TYS CZ C -10.507 -1.001 7.197 1.00 . A A . 10 TYS CZ 1 1 7 1722 1 1 10 TYS H H -7.307 -0.630 4.833 1.00 . A A . 10 TYS H 1 1 7 1723 1 1 10 TYS HA H -4.755 -0.773 6.113 1.00 . A A . 10 TYS HA 1 1 7 1724 1 1 10 TYS HB2 H -5.921 -1.513 7.855 1.00 . A A . 10 TYS HB2 1 1 7 1725 1 1 10 TYS HB3 H -6.266 -3.003 7.002 1.00 . A A . 10 TYS HB3 1 1 7 1726 1 1 10 TYS HD1 H -7.506 0.059 8.275 1.00 . A A . 10 TYS HD1 1 1 7 1727 1 1 10 TYS HD2 H -8.427 -3.190 5.710 1.00 . A A . 10 TYS HD2 1 1 7 1728 1 1 10 TYS HE1 H -9.871 0.592 8.474 1.00 . A A . 10 TYS HE1 1 1 7 1729 1 1 10 TYS HE2 H -10.820 -2.665 5.889 1.00 . A A . 10 TYS HE2 1 1 7 1730 1 1 10 TYS N N -6.322 -0.637 4.796 1.00 . A A . 10 TYS N 1 1 7 1731 1 1 10 TYS O O -3.776 -3.008 5.401 1.00 . A A . 10 TYS O 1 1 7 1732 1 1 10 TYS O1 O -11.536 -2.115 9.645 1.00 . A A . 10 TYS O1 1 1 7 1733 1 1 10 TYS O2 O -13.647 -0.911 9.120 1.00 . A A . 10 TYS O2 1 1 7 1734 1 1 10 TYS O3 O -12.981 -2.830 7.795 1.00 . A A . 10 TYS O3 1 1 7 1735 1 1 10 TYS OH O -11.845 -0.830 7.470 1.00 . A A . 10 TYS OH 1 1 7 1736 1 1 10 TYS S S -12.468 -1.655 8.595 1.00 . A A . 10 TYS S 1 1 7 1737 1 1 11 ASP C C -4.098 -3.888 2.241 1.00 . A A . 11 ASP C 1 1 7 1738 1 1 11 ASP CA C -5.081 -4.309 3.333 1.00 . A A . 11 ASP CA 1 1 7 1739 1 1 11 ASP CB C -6.240 -5.089 2.711 1.00 . A A . 11 ASP CB 1 1 7 1740 1 1 11 ASP CG C -7.065 -5.822 3.750 1.00 . A A . 11 ASP CG 1 1 7 1741 1 1 11 ASP H H -6.467 -2.798 3.850 1.00 . A A . 11 ASP H 1 1 7 1742 1 1 11 ASP HA H -4.567 -4.950 4.032 1.00 . A A . 11 ASP HA 1 1 7 1743 1 1 11 ASP HB2 H -6.889 -4.401 2.185 1.00 . A A . 11 ASP HB2 1 1 7 1744 1 1 11 ASP HB3 H -5.843 -5.815 2.013 1.00 . A A . 11 ASP HB3 1 1 7 1745 1 1 11 ASP N N -5.586 -3.162 4.076 1.00 . A A . 11 ASP N 1 1 7 1746 1 1 11 ASP O O -3.615 -4.729 1.483 1.00 . A A . 11 ASP O 1 1 7 1747 1 1 11 ASP OD1 O -6.479 -6.601 4.532 1.00 . A A . 11 ASP OD1 1 1 7 1748 1 1 11 ASP OD2 O -8.297 -5.620 3.783 1.00 . A A . 11 ASP OD2 1 1 7 1749 1 1 12 ILE C C -1.419 -2.158 1.614 1.00 . A A . 12 ILE C 1 1 7 1750 1 1 12 ILE CA C -2.870 -2.101 1.139 1.00 . A A . 12 ILE CA 1 1 7 1751 1 1 12 ILE CB C -3.200 -0.659 0.700 1.00 . A A . 12 ILE CB 1 1 7 1752 1 1 12 ILE CD1 C -1.394 0.996 1.394 1.00 . A A . 12 ILE CD1 1 1 7 1753 1 1 12 ILE CG1 C -2.717 0.350 1.744 1.00 . A A . 12 ILE CG1 1 1 7 1754 1 1 12 ILE CG2 C -4.694 -0.508 0.454 1.00 . A A . 12 ILE CG2 1 1 7 1755 1 1 12 ILE H H -4.213 -1.954 2.784 1.00 . A A . 12 ILE H 1 1 7 1756 1 1 12 ILE HA H -2.971 -2.737 0.279 1.00 . A A . 12 ILE HA 1 1 7 1757 1 1 12 ILE HB H -2.691 -0.469 -0.234 1.00 . A A . 12 ILE HB 1 1 7 1758 1 1 12 ILE HD11 H -1.401 2.028 1.713 1.00 . A A . 12 ILE HD11 1 1 7 1759 1 1 12 ILE HD12 H -1.243 0.951 0.325 1.00 . A A . 12 ILE HD12 1 1 7 1760 1 1 12 ILE HD13 H -0.593 0.469 1.894 1.00 . A A . 12 ILE HD13 1 1 7 1761 1 1 12 ILE HG12 H -3.452 1.130 1.844 1.00 . A A . 12 ILE HG12 1 1 7 1762 1 1 12 ILE HG13 H -2.599 -0.153 2.692 1.00 . A A . 12 ILE HG13 1 1 7 1763 1 1 12 ILE HG21 H -4.945 0.540 0.390 1.00 . A A . 12 ILE HG21 1 1 7 1764 1 1 12 ILE HG22 H -5.239 -0.959 1.269 1.00 . A A . 12 ILE HG22 1 1 7 1765 1 1 12 ILE HG23 H -4.957 -0.999 -0.471 1.00 . A A . 12 ILE HG23 1 1 7 1766 1 1 12 ILE N N -3.800 -2.591 2.155 1.00 . A A . 12 ILE N 1 1 7 1767 1 1 12 ILE O O -0.535 -1.567 0.994 1.00 . A A . 12 ILE O 1 1 7 1768 1 1 13 ASN C C 1.041 -3.899 2.455 1.00 . A A . 13 ASN C 1 1 7 1769 1 1 13 ASN CA C 0.172 -2.960 3.261 1.00 . A A . 13 ASN CA 1 1 7 1770 1 1 13 ASN CB C 0.132 -3.405 4.714 1.00 . A A . 13 ASN CB 1 1 7 1771 1 1 13 ASN CG C -0.893 -2.644 5.532 1.00 . A A . 13 ASN CG 1 1 7 1772 1 1 13 ASN H H -1.915 -3.300 3.180 1.00 . A A . 13 ASN H 1 1 7 1773 1 1 13 ASN HA H 0.620 -1.991 3.208 1.00 . A A . 13 ASN HA 1 1 7 1774 1 1 13 ASN HB2 H -0.112 -4.453 4.751 1.00 . A A . 13 ASN HB2 1 1 7 1775 1 1 13 ASN HB3 H 1.105 -3.248 5.150 1.00 . A A . 13 ASN HB3 1 1 7 1776 1 1 13 ASN HD21 H -1.197 -4.239 6.680 1.00 . A A . 13 ASN HD21 1 1 7 1777 1 1 13 ASN HD22 H -2.130 -2.840 7.076 1.00 . A A . 13 ASN HD22 1 1 7 1778 1 1 13 ASN N N -1.176 -2.856 2.717 1.00 . A A . 13 ASN N 1 1 7 1779 1 1 13 ASN ND2 N -1.464 -3.308 6.530 1.00 . A A . 13 ASN ND2 1 1 7 1780 1 1 13 ASN O O 2.263 -3.869 2.579 1.00 . A A . 13 ASN O 1 1 7 1781 1 1 13 ASN OD1 O -1.168 -1.472 5.271 1.00 . A A . 13 ASN OD1 1 1 7 1782 1 1 14 TYS C C 2.085 -4.814 -0.181 1.00 . A A . 14 TYS C 1 1 7 1783 1 1 14 TYS CA C 1.213 -5.614 0.783 1.00 . A A . 14 TYS CA 1 1 7 1784 1 1 14 TYS CB C 0.330 -6.617 0.029 1.00 . A A . 14 TYS CB 1 1 7 1785 1 1 14 TYS CD1 C -1.856 -6.839 -1.160 1.00 . A A . 14 TYS CD1 1 1 7 1786 1 1 14 TYS CD2 C -0.984 -4.652 -0.849 1.00 . A A . 14 TYS CD2 1 1 7 1787 1 1 14 TYS CE1 C -2.952 -6.320 -1.805 1.00 . A A . 14 TYS CE1 1 1 7 1788 1 1 14 TYS CE2 C -2.081 -4.118 -1.495 1.00 . A A . 14 TYS CE2 1 1 7 1789 1 1 14 TYS CG C -0.857 -6.018 -0.673 1.00 . A A . 14 TYS CG 1 1 7 1790 1 1 14 TYS CZ C -3.066 -4.958 -1.973 1.00 . A A . 14 TYS CZ 1 1 7 1791 1 1 14 TYS H H -0.541 -4.682 1.529 1.00 . A A . 14 TYS H 1 1 7 1792 1 1 14 TYS HA H 1.870 -6.149 1.444 1.00 . A A . 14 TYS HA 1 1 7 1793 1 1 14 TYS HB2 H -0.050 -7.346 0.726 1.00 . A A . 14 TYS HB2 1 1 7 1794 1 1 14 TYS HB3 H 0.927 -7.121 -0.714 1.00 . A A . 14 TYS HB3 1 1 7 1795 1 1 14 TYS HD1 H -1.766 -7.907 -1.027 1.00 . A A . 14 TYS HD1 1 1 7 1796 1 1 14 TYS HD2 H -0.213 -4.003 -0.467 1.00 . A A . 14 TYS HD2 1 1 7 1797 1 1 14 TYS HE1 H -3.716 -6.982 -2.171 1.00 . A A . 14 TYS HE1 1 1 7 1798 1 1 14 TYS HE2 H -2.163 -3.052 -1.622 1.00 . A A . 14 TYS HE2 1 1 7 1799 1 1 14 TYS N N 0.432 -4.710 1.610 1.00 . A A . 14 TYS N 1 1 7 1800 1 1 14 TYS O O 2.983 -5.358 -0.822 1.00 . A A . 14 TYS O 1 1 7 1801 1 1 14 TYS O1 O -3.921 -5.593 -4.713 1.00 . A A . 14 TYS O1 1 1 7 1802 1 1 14 TYS O2 O -3.925 -3.115 -4.514 1.00 . A A . 14 TYS O2 1 1 7 1803 1 1 14 TYS O3 O -5.943 -4.374 -4.044 1.00 . A A . 14 TYS O3 1 1 7 1804 1 1 14 TYS OH O -4.233 -4.425 -2.474 1.00 . A A . 14 TYS OH 1 1 7 1805 1 1 14 TYS S S -4.433 -4.413 -3.989 1.00 . A A . 14 TYS S 1 1 7 1806 1 1 15 TYR C C 4.080 -2.694 -0.619 1.00 . A A . 15 TYR C 1 1 7 1807 1 1 15 TYR CA C 2.624 -2.609 -1.062 1.00 . A A . 15 TYR CA 1 1 7 1808 1 1 15 TYR CB C 2.081 -1.180 -0.917 1.00 . A A . 15 TYR CB 1 1 7 1809 1 1 15 TYR CD1 C 2.727 -0.786 1.493 1.00 . A A . 15 TYR CD1 1 1 7 1810 1 1 15 TYR CD2 C 3.402 0.825 -0.130 1.00 . A A . 15 TYR CD2 1 1 7 1811 1 1 15 TYR CE1 C 3.336 -0.045 2.487 1.00 . A A . 15 TYR CE1 1 1 7 1812 1 1 15 TYR CE2 C 4.013 1.571 0.858 1.00 . A A . 15 TYR CE2 1 1 7 1813 1 1 15 TYR CG C 2.751 -0.365 0.169 1.00 . A A . 15 TYR CG 1 1 7 1814 1 1 15 TYR CZ C 3.978 1.132 2.165 1.00 . A A . 15 TYR CZ 1 1 7 1815 1 1 15 TYR H H 1.137 -3.125 0.326 1.00 . A A . 15 TYR H 1 1 7 1816 1 1 15 TYR HA H 2.541 -2.929 -2.091 1.00 . A A . 15 TYR HA 1 1 7 1817 1 1 15 TYR HB2 H 2.207 -0.656 -1.851 1.00 . A A . 15 TYR HB2 1 1 7 1818 1 1 15 TYR HB3 H 1.026 -1.238 -0.676 1.00 . A A . 15 TYR HB3 1 1 7 1819 1 1 15 TYR HD1 H 2.225 -1.711 1.741 1.00 . A A . 15 TYR HD1 1 1 7 1820 1 1 15 TYR HD2 H 3.428 1.166 -1.155 1.00 . A A . 15 TYR HD2 1 1 7 1821 1 1 15 TYR HE1 H 3.308 -0.389 3.511 1.00 . A A . 15 TYR HE1 1 1 7 1822 1 1 15 TYR HE2 H 4.515 2.494 0.606 1.00 . A A . 15 TYR HE2 1 1 7 1823 1 1 15 TYR HH H 5.480 2.096 2.881 1.00 . A A . 15 TYR HH 1 1 7 1824 1 1 15 TYR N N 1.841 -3.504 -0.235 1.00 . A A . 15 TYR N 1 1 7 1825 1 1 15 TYR O O 5.005 -2.497 -1.403 1.00 . A A . 15 TYR O 1 1 7 1826 1 1 15 TYR OH O 4.587 1.873 3.152 1.00 . A A . 15 TYR OH 1 1 7 1827 1 1 16 THR C C 6.037 -4.606 1.103 1.00 . A A . 16 THR C 1 1 7 1828 1 1 16 THR CA C 5.550 -3.173 1.276 1.00 . A A . 16 THR CA 1 1 7 1829 1 1 16 THR CB C 5.447 -2.832 2.763 1.00 . A A . 16 THR CB 1 1 7 1830 1 1 16 THR CG2 C 4.795 -3.924 3.588 1.00 . A A . 16 THR CG2 1 1 7 1831 1 1 16 THR H H 3.453 -3.167 1.213 1.00 . A A . 16 THR H 1 1 7 1832 1 1 16 THR HA H 6.243 -2.497 0.797 1.00 . A A . 16 THR HA 1 1 7 1833 1 1 16 THR HB H 4.844 -1.946 2.870 1.00 . A A . 16 THR HB 1 1 7 1834 1 1 16 THR HG1 H 7.338 -3.262 3.033 1.00 . A A . 16 THR HG1 1 1 7 1835 1 1 16 THR HG21 H 5.557 -4.531 4.052 1.00 . A A . 16 THR HG21 1 1 7 1836 1 1 16 THR HG22 H 4.184 -4.542 2.946 1.00 . A A . 16 THR HG22 1 1 7 1837 1 1 16 THR HG23 H 4.174 -3.477 4.349 1.00 . A A . 16 THR HG23 1 1 7 1838 1 1 16 THR N N 4.246 -3.015 0.660 1.00 . A A . 16 THR N 1 1 7 1839 1 1 16 THR O O 7.237 -4.867 1.021 1.00 . A A . 16 THR O 1 1 7 1840 1 1 16 THR OG1 O 6.725 -2.577 3.314 1.00 . A A . 16 THR OG1 1 1 7 1841 1 1 17 SER C C 5.821 -7.313 -0.486 1.00 . A A . 17 SER C 1 1 7 1842 1 1 17 SER CA C 5.401 -6.951 0.937 1.00 . A A . 17 SER CA 1 1 7 1843 1 1 17 SER CB C 4.207 -7.805 1.361 1.00 . A A . 17 SER CB 1 1 7 1844 1 1 17 SER H H 4.140 -5.254 1.168 1.00 . A A . 17 SER H 1 1 7 1845 1 1 17 SER HA H 6.228 -7.160 1.591 1.00 . A A . 17 SER HA 1 1 7 1846 1 1 17 SER HB2 H 3.950 -7.577 2.386 1.00 . A A . 17 SER HB2 1 1 7 1847 1 1 17 SER HB3 H 3.364 -7.586 0.722 1.00 . A A . 17 SER HB3 1 1 7 1848 1 1 17 SER HG H 3.816 -9.630 0.768 1.00 . A A . 17 SER HG 1 1 7 1849 1 1 17 SER N N 5.084 -5.533 1.075 1.00 . A A . 17 SER N 1 1 7 1850 1 1 17 SER O O 6.297 -8.420 -0.732 1.00 . A A . 17 SER O 1 1 7 1851 1 1 17 SER OG O 4.507 -9.186 1.265 1.00 . A A . 17 SER OG 1 1 7 1852 1 1 18 GLU C C 7.493 -6.285 -3.048 1.00 . A A . 18 GLU C 1 1 7 1853 1 1 18 GLU CA C 6.025 -6.635 -2.804 1.00 . A A . 18 GLU CA 1 1 7 1854 1 1 18 GLU CB C 5.132 -5.846 -3.766 1.00 . A A . 18 GLU CB 1 1 7 1855 1 1 18 GLU CD C 4.657 -5.408 -6.209 1.00 . A A . 18 GLU CD 1 1 7 1856 1 1 18 GLU CG C 5.094 -6.425 -5.174 1.00 . A A . 18 GLU CG 1 1 7 1857 1 1 18 GLU H H 5.271 -5.519 -1.166 1.00 . A A . 18 GLU H 1 1 7 1858 1 1 18 GLU HA H 5.889 -7.689 -2.992 1.00 . A A . 18 GLU HA 1 1 7 1859 1 1 18 GLU HB2 H 4.124 -5.833 -3.377 1.00 . A A . 18 GLU HB2 1 1 7 1860 1 1 18 GLU HB3 H 5.497 -4.832 -3.832 1.00 . A A . 18 GLU HB3 1 1 7 1861 1 1 18 GLU HG2 H 6.084 -6.775 -5.432 1.00 . A A . 18 GLU HG2 1 1 7 1862 1 1 18 GLU HG3 H 4.404 -7.256 -5.190 1.00 . A A . 18 GLU HG3 1 1 7 1863 1 1 18 GLU N N 5.650 -6.385 -1.416 1.00 . A A . 18 GLU N 1 1 7 1864 1 1 18 GLU O O 8.248 -7.095 -3.589 1.00 . A A . 18 GLU O 1 1 7 1865 1 1 18 GLU OE1 O 5.086 -4.239 -6.110 1.00 . A A . 18 GLU OE1 1 1 7 1866 1 1 18 GLU OE2 O 3.886 -5.779 -7.118 1.00 . A A . 18 GLU OE2 1 1 7 1867 1 1 19 PRO C C 10.290 -5.218 -1.887 1.00 . A A . 19 PRO C 1 1 7 1868 1 1 19 PRO CA C 9.291 -4.596 -2.861 1.00 . A A . 19 PRO CA 1 1 7 1869 1 1 19 PRO CB C 9.197 -3.080 -2.618 1.00 . A A . 19 PRO CB 1 1 7 1870 1 1 19 PRO CD C 7.097 -4.028 -2.050 1.00 . A A . 19 PRO CD 1 1 7 1871 1 1 19 PRO CG C 7.739 -2.777 -2.558 1.00 . A A . 19 PRO CG 1 1 7 1872 1 1 19 PRO HA H 9.615 -4.774 -3.869 1.00 . A A . 19 PRO HA 1 1 7 1873 1 1 19 PRO HB2 H 9.685 -2.833 -1.683 1.00 . A A . 19 PRO HB2 1 1 7 1874 1 1 19 PRO HB3 H 9.676 -2.556 -3.433 1.00 . A A . 19 PRO HB3 1 1 7 1875 1 1 19 PRO HD2 H 7.156 -4.075 -0.977 1.00 . A A . 19 PRO HD2 1 1 7 1876 1 1 19 PRO HD3 H 6.081 -4.093 -2.381 1.00 . A A . 19 PRO HD3 1 1 7 1877 1 1 19 PRO HG2 H 7.560 -1.957 -1.877 1.00 . A A . 19 PRO HG2 1 1 7 1878 1 1 19 PRO HG3 H 7.369 -2.538 -3.544 1.00 . A A . 19 PRO HG3 1 1 7 1879 1 1 19 PRO N N 7.917 -5.065 -2.669 1.00 . A A . 19 PRO N 1 1 7 1880 1 1 19 PRO O O 11.180 -4.532 -1.385 1.00 . A A . 19 PRO O 1 1 7 1881 1 1 20 ALA C C 12.509 -6.986 -1.123 1.00 . A A . 20 ALA C 1 1 7 1882 1 1 20 ALA CA C 11.060 -7.200 -0.708 1.00 . A A . 20 ALA CA 1 1 7 1883 1 1 20 ALA CB C 10.734 -8.686 -0.647 1.00 . A A . 20 ALA CB 1 1 7 1884 1 1 20 ALA H H 9.430 -7.017 -2.046 1.00 . A A . 20 ALA H 1 1 7 1885 1 1 20 ALA HA H 10.920 -6.782 0.268 1.00 . A A . 20 ALA HA 1 1 7 1886 1 1 20 ALA HB1 H 11.419 -9.232 -1.278 1.00 . A A . 20 ALA HB1 1 1 7 1887 1 1 20 ALA HB2 H 9.723 -8.847 -0.991 1.00 . A A . 20 ALA HB2 1 1 7 1888 1 1 20 ALA HB3 H 10.827 -9.032 0.372 1.00 . A A . 20 ALA HB3 1 1 7 1889 1 1 20 ALA N N 10.151 -6.514 -1.621 1.00 . A A . 20 ALA N 1 1 7 1890 1 1 20 ALA O O 13.398 -6.846 -0.284 1.00 . A A . 20 ALA O 1 1 7 1891 1 1 21 GLN C C 14.340 -5.247 -3.127 1.00 . A A . 21 GLN C 1 1 7 1892 1 1 21 GLN CA C 14.055 -6.737 -2.984 1.00 . A A . 21 GLN CA 1 1 7 1893 1 1 21 GLN CB C 14.183 -7.429 -4.343 1.00 . A A . 21 GLN CB 1 1 7 1894 1 1 21 GLN CD C 13.094 -9.288 -5.661 1.00 . A A . 21 GLN CD 1 1 7 1895 1 1 21 GLN CG C 13.704 -8.871 -4.339 1.00 . A A . 21 GLN CG 1 1 7 1896 1 1 21 GLN H H 11.962 -7.057 -3.027 1.00 . A A . 21 GLN H 1 1 7 1897 1 1 21 GLN HA H 14.772 -7.165 -2.301 1.00 . A A . 21 GLN HA 1 1 7 1898 1 1 21 GLN HB2 H 13.602 -6.881 -5.071 1.00 . A A . 21 GLN HB2 1 1 7 1899 1 1 21 GLN HE21 H 12.595 -11.057 -4.902 1.00 . A A . 21 GLN HE21 1 1 7 1900 1 1 21 GLN HE22 H 12.162 -10.801 -6.554 1.00 . A A . 21 GLN HE22 1 1 7 1901 1 1 21 GLN HG2 H 14.544 -9.515 -4.129 1.00 . A A . 21 GLN HG2 1 1 7 1902 1 1 21 GLN N N 12.723 -6.949 -2.425 1.00 . A A . 21 GLN N 1 1 7 1903 1 1 21 GLN NE2 N 12.563 -10.505 -5.710 1.00 . A A . 21 GLN NE2 1 1 7 1904 1 1 21 GLN O O 15.462 -4.792 -2.901 1.00 . A A . 21 GLN O 1 1 7 1905 1 1 21 GLN OE1 O 13.098 -8.527 -6.628 1.00 . A A . 21 GLN OE1 1 1 7 1906 1 1 22 LYS C C 13.875 -2.384 -2.379 1.00 . A A . 22 LYS C 1 1 7 1907 1 1 22 LYS CA C 13.439 -3.052 -3.679 1.00 . A A . 22 LYS CA 1 1 7 1908 1 1 22 LYS CB C 12.110 -2.459 -4.155 1.00 . A A . 22 LYS CB 1 1 7 1909 1 1 22 LYS CD C 10.908 -2.083 -6.329 1.00 . A A . 22 LYS CD 1 1 7 1910 1 1 22 LYS CE C 10.873 -1.248 -7.598 1.00 . A A . 22 LYS CE 1 1 7 1911 1 1 22 LYS CG C 12.183 -1.838 -5.540 1.00 . A A . 22 LYS CG 1 1 7 1912 1 1 22 LYS H H 12.444 -4.918 -3.666 1.00 . A A . 22 LYS H 1 1 7 1913 1 1 22 LYS HA H 14.192 -2.874 -4.432 1.00 . A A . 22 LYS HA 1 1 7 1914 1 1 22 LYS HB2 H 11.367 -3.244 -4.175 1.00 . A A . 22 LYS HB2 1 1 7 1915 1 1 22 LYS HB3 H 11.796 -1.696 -3.459 1.00 . A A . 22 LYS HB3 1 1 7 1916 1 1 22 LYS HD2 H 10.856 -3.128 -6.596 1.00 . A A . 22 LYS HD2 1 1 7 1917 1 1 22 LYS HD3 H 10.059 -1.824 -5.714 1.00 . A A . 22 LYS HD3 1 1 7 1918 1 1 22 LYS HE2 H 11.880 -1.145 -7.974 1.00 . A A . 22 LYS HE2 1 1 7 1919 1 1 22 LYS HE3 H 10.265 -1.757 -8.333 1.00 . A A . 22 LYS HE3 1 1 7 1920 1 1 22 LYS HG2 H 12.331 -0.773 -5.438 1.00 . A A . 22 LYS HG2 1 1 7 1921 1 1 22 LYS HG3 H 13.016 -2.271 -6.074 1.00 . A A . 22 LYS HG3 1 1 7 1922 1 1 22 LYS HZ1 H 9.487 0.044 -6.719 1.00 . A A . 22 LYS HZ1 1 1 7 1923 1 1 22 LYS HZ2 H 10.002 0.534 -8.254 1.00 . A A . 22 LYS HZ2 1 1 7 1924 1 1 22 LYS HZ3 H 11.023 0.722 -6.919 1.00 . A A . 22 LYS HZ3 1 1 7 1925 1 1 22 LYS N N 13.312 -4.493 -3.504 1.00 . A A . 22 LYS N 1 1 7 1926 1 1 22 LYS NZ N 10.306 0.107 -7.356 1.00 . A A . 22 LYS NZ 1 1 7 1927 1 1 22 LYS O O 14.792 -1.563 -2.366 1.00 . A A . 22 LYS O 1 1 7 1928 1 1 23 ILE C C 14.442 -3.108 0.806 1.00 . A A . 23 ILE C 1 1 7 1929 1 1 23 ILE CA C 13.521 -2.180 0.020 1.00 . A A . 23 ILE CA 1 1 7 1930 1 1 23 ILE CB C 12.243 -1.922 0.842 1.00 . A A . 23 ILE CB 1 1 7 1931 1 1 23 ILE CD1 C 9.809 -1.215 0.596 1.00 . A A . 23 ILE CD1 1 1 7 1932 1 1 23 ILE CG1 C 11.194 -1.209 -0.014 1.00 . A A . 23 ILE CG1 1 1 7 1933 1 1 23 ILE CG2 C 12.565 -1.105 2.085 1.00 . A A . 23 ILE CG2 1 1 7 1934 1 1 23 ILE H H 12.486 -3.399 -1.365 1.00 . A A . 23 ILE H 1 1 7 1935 1 1 23 ILE HA H 14.023 -1.236 -0.133 1.00 . A A . 23 ILE HA 1 1 7 1936 1 1 23 ILE HB H 11.849 -2.875 1.161 1.00 . A A . 23 ILE HB 1 1 7 1937 1 1 23 ILE HD11 H 9.615 -2.182 1.039 1.00 . A A . 23 ILE HD11 1 1 7 1938 1 1 23 ILE HD12 H 9.076 -1.018 -0.172 1.00 . A A . 23 ILE HD12 1 1 7 1939 1 1 23 ILE HD13 H 9.748 -0.452 1.357 1.00 . A A . 23 ILE HD13 1 1 7 1940 1 1 23 ILE HG12 H 11.490 -0.181 -0.153 1.00 . A A . 23 ILE HG12 1 1 7 1941 1 1 23 ILE HG13 H 11.134 -1.694 -0.978 1.00 . A A . 23 ILE HG13 1 1 7 1942 1 1 23 ILE HG21 H 13.633 -1.096 2.244 1.00 . A A . 23 ILE HG21 1 1 7 1943 1 1 23 ILE HG22 H 12.077 -1.546 2.941 1.00 . A A . 23 ILE HG22 1 1 7 1944 1 1 23 ILE HG23 H 12.213 -0.093 1.951 1.00 . A A . 23 ILE HG23 1 1 7 1945 1 1 23 ILE N N 13.208 -2.741 -1.288 1.00 . A A . 23 ILE N 1 1 7 1946 1 1 23 ILE O O 14.362 -3.187 2.031 1.00 . A A . 23 ILE O 1 1 8 1947 1 1 7 SER C C -10.564 0.542 5.004 1.00 . A A . 7 SER C 1 1 8 1948 1 1 7 SER CA C -11.420 1.784 5.220 1.00 . A A . 7 SER CA 1 1 8 1949 1 1 7 SER CB C -12.779 1.410 5.788 1.00 . A A . 7 SER CB 1 1 8 1950 1 1 7 SER H H -12.440 2.368 3.474 1.00 . A A . 7 SER H 1 1 8 1951 1 1 7 SER HA H -10.905 2.418 5.923 1.00 . A A . 7 SER HA 1 1 8 1952 1 1 7 SER HB2 H -13.543 1.886 5.184 1.00 . A A . 7 SER HB2 1 1 8 1953 1 1 7 SER HB3 H -12.903 0.339 5.748 1.00 . A A . 7 SER HB3 1 1 8 1954 1 1 7 SER HG H -13.062 2.792 7.147 1.00 . A A . 7 SER HG 1 1 8 1955 1 1 7 SER N N -11.637 2.542 4.001 1.00 . A A . 7 SER N 1 1 8 1956 1 1 7 SER O O -9.693 0.252 5.814 1.00 . A A . 7 SER O 1 1 8 1957 1 1 7 SER OG O -12.916 1.844 7.131 1.00 . A A . 7 SER OG 1 1 8 1958 1 1 8 PRO C C -8.605 -1.056 3.112 1.00 . A A . 8 PRO C 1 1 8 1959 1 1 8 PRO CA C -9.984 -1.404 3.623 1.00 . A A . 8 PRO CA 1 1 8 1960 1 1 8 PRO CB C -10.786 -2.128 2.536 1.00 . A A . 8 PRO CB 1 1 8 1961 1 1 8 PRO CD C -11.730 0.053 2.848 1.00 . A A . 8 PRO CD 1 1 8 1962 1 1 8 PRO CG C -12.041 -1.333 2.363 1.00 . A A . 8 PRO CG 1 1 8 1963 1 1 8 PRO HA H -9.894 -2.031 4.495 1.00 . A A . 8 PRO HA 1 1 8 1964 1 1 8 PRO HB2 H -10.208 -2.158 1.621 1.00 . A A . 8 PRO HB2 1 1 8 1965 1 1 8 PRO HB3 H -11.002 -3.135 2.865 1.00 . A A . 8 PRO HB3 1 1 8 1966 1 1 8 PRO HD2 H -11.276 0.647 2.060 1.00 . A A . 8 PRO HD2 1 1 8 1967 1 1 8 PRO HD3 H -12.617 0.531 3.234 1.00 . A A . 8 PRO HD3 1 1 8 1968 1 1 8 PRO HG2 H -12.323 -1.314 1.323 1.00 . A A . 8 PRO HG2 1 1 8 1969 1 1 8 PRO HG3 H -12.829 -1.769 2.959 1.00 . A A . 8 PRO HG3 1 1 8 1970 1 1 8 PRO N N -10.767 -0.205 3.907 1.00 . A A . 8 PRO N 1 1 8 1971 1 1 8 PRO O O -8.010 -1.795 2.330 1.00 . A A . 8 PRO O 1 1 8 1972 1 1 9 ILE C C -5.723 -0.100 4.010 1.00 . A A . 9 ILE C 1 1 8 1973 1 1 9 ILE CA C -6.804 0.540 3.164 1.00 . A A . 9 ILE CA 1 1 8 1974 1 1 9 ILE CB C -6.702 2.076 3.231 1.00 . A A . 9 ILE CB 1 1 8 1975 1 1 9 ILE CD1 C -5.027 2.884 4.972 1.00 . A A . 9 ILE CD1 1 1 8 1976 1 1 9 ILE CG1 C -6.471 2.553 4.670 1.00 . A A . 9 ILE CG1 1 1 8 1977 1 1 9 ILE CG2 C -7.950 2.712 2.653 1.00 . A A . 9 ILE CG2 1 1 8 1978 1 1 9 ILE H H -8.634 0.612 4.183 1.00 . A A . 9 ILE H 1 1 8 1979 1 1 9 ILE HA H -6.659 0.238 2.149 1.00 . A A . 9 ILE HA 1 1 8 1980 1 1 9 ILE HB H -5.875 2.376 2.619 1.00 . A A . 9 ILE HB 1 1 8 1981 1 1 9 ILE HD11 H -4.908 3.042 6.033 1.00 . A A . 9 ILE HD11 1 1 8 1982 1 1 9 ILE HD12 H -4.744 3.782 4.440 1.00 . A A . 9 ILE HD12 1 1 8 1983 1 1 9 ILE HD13 H -4.396 2.065 4.656 1.00 . A A . 9 ILE HD13 1 1 8 1984 1 1 9 ILE HG12 H -7.058 3.445 4.845 1.00 . A A . 9 ILE HG12 1 1 8 1985 1 1 9 ILE HG13 H -6.785 1.775 5.354 1.00 . A A . 9 ILE HG13 1 1 8 1986 1 1 9 ILE HG21 H -8.001 3.742 2.968 1.00 . A A . 9 ILE HG21 1 1 8 1987 1 1 9 ILE HG22 H -8.822 2.182 3.006 1.00 . A A . 9 ILE HG22 1 1 8 1988 1 1 9 ILE HG23 H -7.912 2.666 1.574 1.00 . A A . 9 ILE HG23 1 1 8 1989 1 1 9 ILE N N -8.109 0.077 3.564 1.00 . A A . 9 ILE N 1 1 8 1990 1 1 9 ILE O O -4.536 0.030 3.724 1.00 . A A . 9 ILE O 1 1 8 1991 1 1 10 TYS C C -4.515 -2.638 5.185 1.00 . A A . 10 TYS C 1 1 8 1992 1 1 10 TYS CA C -5.171 -1.473 5.915 1.00 . A A . 10 TYS CA 1 1 8 1993 1 1 10 TYS CB C -5.785 -1.985 7.229 1.00 . A A . 10 TYS CB 1 1 8 1994 1 1 10 TYS CD1 C -7.248 -0.365 8.423 1.00 . A A . 10 TYS CD1 1 1 8 1995 1 1 10 TYS CD2 C -8.308 -2.056 7.126 1.00 . A A . 10 TYS CD2 1 1 8 1996 1 1 10 TYS CE1 C -8.468 0.119 8.806 1.00 . A A . 10 TYS CE1 1 1 8 1997 1 1 10 TYS CE2 C -9.543 -1.572 7.502 1.00 . A A . 10 TYS CE2 1 1 8 1998 1 1 10 TYS CG C -7.143 -1.453 7.581 1.00 . A A . 10 TYS CG 1 1 8 1999 1 1 10 TYS CZ C -9.620 -0.482 8.347 1.00 . A A . 10 TYS CZ 1 1 8 2000 1 1 10 TYS H H -7.104 -0.873 5.228 1.00 . A A . 10 TYS H 1 1 8 2001 1 1 10 TYS HA H -4.402 -0.756 6.139 1.00 . A A . 10 TYS HA 1 1 8 2002 1 1 10 TYS HB2 H -5.131 -1.711 8.042 1.00 . A A . 10 TYS HB2 1 1 8 2003 1 1 10 TYS HB3 H -5.861 -3.058 7.189 1.00 . A A . 10 TYS HB3 1 1 8 2004 1 1 10 TYS HD1 H -6.347 0.110 8.780 1.00 . A A . 10 TYS HD1 1 1 8 2005 1 1 10 TYS HD2 H -8.243 -2.907 6.463 1.00 . A A . 10 TYS HD2 1 1 8 2006 1 1 10 TYS HE1 H -8.514 0.965 9.461 1.00 . A A . 10 TYS HE1 1 1 8 2007 1 1 10 TYS HE2 H -10.439 -2.046 7.139 1.00 . A A . 10 TYS HE2 1 1 8 2008 1 1 10 TYS N N -6.137 -0.805 5.050 1.00 . A A . 10 TYS N 1 1 8 2009 1 1 10 TYS O O -3.307 -2.849 5.296 1.00 . A A . 10 TYS O 1 1 8 2010 1 1 10 TYS O1 O -12.018 -2.063 9.595 1.00 . A A . 10 TYS O1 1 1 8 2011 1 1 10 TYS O2 O -10.819 -0.490 11.103 1.00 . A A . 10 TYS O2 1 1 8 2012 1 1 10 TYS O3 O -12.815 0.234 9.930 1.00 . A A . 10 TYS O3 1 1 8 2013 1 1 10 TYS OH O -10.849 0.017 8.711 1.00 . A A . 10 TYS OH 1 1 8 2014 1 1 10 TYS S S -11.605 -0.669 9.849 1.00 . A A . 10 TYS S 1 1 8 2015 1 1 11 ASP C C -4.201 -4.126 2.369 1.00 . A A . 11 ASP C 1 1 8 2016 1 1 11 ASP CA C -4.802 -4.539 3.710 1.00 . A A . 11 ASP CA 1 1 8 2017 1 1 11 ASP CB C -5.914 -5.564 3.483 1.00 . A A . 11 ASP CB 1 1 8 2018 1 1 11 ASP CG C -6.127 -6.461 4.687 1.00 . A A . 11 ASP CG 1 1 8 2019 1 1 11 ASP H H -6.269 -3.181 4.399 1.00 . A A . 11 ASP H 1 1 8 2020 1 1 11 ASP HA H -4.030 -4.993 4.309 1.00 . A A . 11 ASP HA 1 1 8 2021 1 1 11 ASP HB2 H -6.840 -5.042 3.278 1.00 . A A . 11 ASP HB2 1 1 8 2022 1 1 11 ASP HB3 H -5.653 -6.184 2.635 1.00 . A A . 11 ASP HB3 1 1 8 2023 1 1 11 ASP N N -5.315 -3.394 4.446 1.00 . A A . 11 ASP N 1 1 8 2024 1 1 11 ASP O O -3.789 -4.980 1.584 1.00 . A A . 11 ASP O 1 1 8 2025 1 1 11 ASP OD1 O -6.270 -5.927 5.807 1.00 . A A . 11 ASP OD1 1 1 8 2026 1 1 11 ASP OD2 O -6.150 -7.698 4.508 1.00 . A A . 11 ASP OD2 1 1 8 2027 1 1 12 ILE C C -2.067 -2.154 0.923 1.00 . A A . 12 ILE C 1 1 8 2028 1 1 12 ILE CA C -3.577 -2.350 0.835 1.00 . A A . 12 ILE CA 1 1 8 2029 1 1 12 ILE CB C -4.228 -1.038 0.355 1.00 . A A . 12 ILE CB 1 1 8 2030 1 1 12 ILE CD1 C -2.681 0.979 0.441 1.00 . A A . 12 ILE CD1 1 1 8 2031 1 1 12 ILE CG1 C -3.714 0.149 1.170 1.00 . A A . 12 ILE CG1 1 1 8 2032 1 1 12 ILE CG2 C -5.742 -1.139 0.436 1.00 . A A . 12 ILE CG2 1 1 8 2033 1 1 12 ILE H H -4.481 -2.168 2.761 1.00 . A A . 12 ILE H 1 1 8 2034 1 1 12 ILE HA H -3.775 -3.106 0.094 1.00 . A A . 12 ILE HA 1 1 8 2035 1 1 12 ILE HB H -3.962 -0.893 -0.682 1.00 . A A . 12 ILE HB 1 1 8 2036 1 1 12 ILE HD11 H -2.820 2.021 0.684 1.00 . A A . 12 ILE HD11 1 1 8 2037 1 1 12 ILE HD12 H -2.793 0.839 -0.624 1.00 . A A . 12 ILE HD12 1 1 8 2038 1 1 12 ILE HD13 H -1.692 0.667 0.743 1.00 . A A . 12 ILE HD13 1 1 8 2039 1 1 12 ILE HG12 H -4.542 0.791 1.420 1.00 . A A . 12 ILE HG12 1 1 8 2040 1 1 12 ILE HG13 H -3.260 -0.219 2.078 1.00 . A A . 12 ILE HG13 1 1 8 2041 1 1 12 ILE HG21 H -6.098 -1.829 -0.313 1.00 . A A . 12 ILE HG21 1 1 8 2042 1 1 12 ILE HG22 H -6.178 -0.166 0.267 1.00 . A A . 12 ILE HG22 1 1 8 2043 1 1 12 ILE HG23 H -6.025 -1.496 1.416 1.00 . A A . 12 ILE HG23 1 1 8 2044 1 1 12 ILE N N -4.143 -2.821 2.100 1.00 . A A . 12 ILE N 1 1 8 2045 1 1 12 ILE O O -1.457 -1.571 0.026 1.00 . A A . 12 ILE O 1 1 8 2046 1 1 13 ASN C C 0.746 -3.530 1.394 1.00 . A A . 13 ASN C 1 1 8 2047 1 1 13 ASN CA C -0.028 -2.498 2.190 1.00 . A A . 13 ASN CA 1 1 8 2048 1 1 13 ASN CB C 0.330 -2.604 3.665 1.00 . A A . 13 ASN CB 1 1 8 2049 1 1 13 ASN CG C -0.548 -1.733 4.541 1.00 . A A . 13 ASN CG 1 1 8 2050 1 1 13 ASN H H -1.996 -3.087 2.690 1.00 . A A . 13 ASN H 1 1 8 2051 1 1 13 ASN HA H 0.262 -1.527 1.831 1.00 . A A . 13 ASN HA 1 1 8 2052 1 1 13 ASN HB2 H 0.218 -3.629 3.979 1.00 . A A . 13 ASN HB2 1 1 8 2053 1 1 13 ASN HB3 H 1.356 -2.298 3.796 1.00 . A A . 13 ASN HB3 1 1 8 2054 1 1 13 ASN HD21 H 0.423 -2.343 6.165 1.00 . A A . 13 ASN HD21 1 1 8 2055 1 1 13 ASN HD22 H -0.855 -1.213 6.435 1.00 . A A . 13 ASN HD22 1 1 8 2056 1 1 13 ASN N N -1.464 -2.634 2.003 1.00 . A A . 13 ASN N 1 1 8 2057 1 1 13 ASN ND2 N -0.303 -1.766 5.845 1.00 . A A . 13 ASN ND2 1 1 8 2058 1 1 13 ASN O O 1.972 -3.549 1.434 1.00 . A A . 13 ASN O 1 1 8 2059 1 1 13 ASN OD1 O -1.439 -1.037 4.051 1.00 . A A . 13 ASN OD1 1 1 8 2060 1 1 14 TYS C C 1.659 -4.710 -1.167 1.00 . A A . 14 TYS C 1 1 8 2061 1 1 14 TYS CA C 0.726 -5.375 -0.158 1.00 . A A . 14 TYS CA 1 1 8 2062 1 1 14 TYS CB C -0.267 -6.309 -0.864 1.00 . A A . 14 TYS CB 1 1 8 2063 1 1 14 TYS CD1 C -1.462 -4.258 -1.708 1.00 . A A . 14 TYS CD1 1 1 8 2064 1 1 14 TYS CD2 C -2.581 -6.349 -1.812 1.00 . A A . 14 TYS CD2 1 1 8 2065 1 1 14 TYS CE1 C -2.558 -3.636 -2.267 1.00 . A A . 14 TYS CE1 1 1 8 2066 1 1 14 TYS CE2 C -3.681 -5.742 -2.370 1.00 . A A . 14 TYS CE2 1 1 8 2067 1 1 14 TYS CG C -1.457 -5.620 -1.473 1.00 . A A . 14 TYS CG 1 1 8 2068 1 1 14 TYS CZ C -3.671 -4.381 -2.598 1.00 . A A . 14 TYS CZ 1 1 8 2069 1 1 14 TYS H H -0.931 -4.317 0.633 1.00 . A A . 14 TYS H 1 1 8 2070 1 1 14 TYS HA H 1.333 -5.950 0.513 1.00 . A A . 14 TYS HA 1 1 8 2071 1 1 14 TYS HB2 H -0.645 -7.026 -0.152 1.00 . A A . 14 TYS HB2 1 1 8 2072 1 1 14 TYS HB3 H 0.245 -6.836 -1.653 1.00 . A A . 14 TYS HB3 1 1 8 2073 1 1 14 TYS HD1 H -0.591 -3.683 -1.442 1.00 . A A . 14 TYS HD1 1 1 8 2074 1 1 14 TYS HD2 H -2.588 -7.414 -1.632 1.00 . A A . 14 TYS HD2 1 1 8 2075 1 1 14 TYS HE1 H -2.542 -2.573 -2.441 1.00 . A A . 14 TYS HE1 1 1 8 2076 1 1 14 TYS HE2 H -4.541 -6.333 -2.622 1.00 . A A . 14 TYS HE2 1 1 8 2077 1 1 14 TYS N N 0.045 -4.375 0.649 1.00 . A A . 14 TYS N 1 1 8 2078 1 1 14 TYS O O 2.510 -5.368 -1.765 1.00 . A A . 14 TYS O 1 1 8 2079 1 1 14 TYS O1 O -6.280 -3.801 -1.428 1.00 . A A . 14 TYS O1 1 1 8 2080 1 1 14 TYS O2 O -6.947 -3.042 -3.702 1.00 . A A . 14 TYS O2 1 1 8 2081 1 1 14 TYS O3 O -5.291 -1.797 -2.443 1.00 . A A . 14 TYS O3 1 1 8 2082 1 1 14 TYS OH O -4.651 -3.821 -3.384 1.00 . A A . 14 TYS OH 1 1 8 2083 1 1 14 TYS S S -5.854 -3.175 -2.697 1.00 . A A . 14 TYS S 1 1 8 2084 1 1 15 TYR C C 3.825 -2.781 -1.705 1.00 . A A . 15 TYR C 1 1 8 2085 1 1 15 TYR CA C 2.394 -2.638 -2.203 1.00 . A A . 15 TYR CA 1 1 8 2086 1 1 15 TYR CB C 1.962 -1.165 -2.222 1.00 . A A . 15 TYR CB 1 1 8 2087 1 1 15 TYR CD1 C 2.455 -0.644 0.201 1.00 . A A . 15 TYR CD1 1 1 8 2088 1 1 15 TYR CD2 C 3.333 0.819 -1.465 1.00 . A A . 15 TYR CD2 1 1 8 2089 1 1 15 TYR CE1 C 3.031 0.131 1.190 1.00 . A A . 15 TYR CE1 1 1 8 2090 1 1 15 TYR CE2 C 3.912 1.598 -0.481 1.00 . A A . 15 TYR CE2 1 1 8 2091 1 1 15 TYR CG C 2.596 -0.315 -1.141 1.00 . A A . 15 TYR CG 1 1 8 2092 1 1 15 TYR CZ C 3.757 1.251 0.844 1.00 . A A . 15 TYR CZ 1 1 8 2093 1 1 15 TYR H H 0.862 -2.914 -0.788 1.00 . A A . 15 TYR H 1 1 8 2094 1 1 15 TYR HA H 2.314 -3.055 -3.196 1.00 . A A . 15 TYR HA 1 1 8 2095 1 1 15 TYR HB2 H 2.220 -0.732 -3.176 1.00 . A A . 15 TYR HB2 1 1 8 2096 1 1 15 TYR HB3 H 0.889 -1.118 -2.086 1.00 . A A . 15 TYR HB3 1 1 8 2097 1 1 15 TYR HD1 H 1.885 -1.523 0.469 1.00 . A A . 15 TYR HD1 1 1 8 2098 1 1 15 TYR HD2 H 3.452 1.088 -2.504 1.00 . A A . 15 TYR HD2 1 1 8 2099 1 1 15 TYR HE1 H 2.910 -0.141 2.228 1.00 . A A . 15 TYR HE1 1 1 8 2100 1 1 15 TYR HE2 H 4.480 2.475 -0.754 1.00 . A A . 15 TYR HE2 1 1 8 2101 1 1 15 TYR HH H 4.680 1.459 2.519 1.00 . A A . 15 TYR HH 1 1 8 2102 1 1 15 TYR N N 1.529 -3.392 -1.315 1.00 . A A . 15 TYR N 1 1 8 2103 1 1 15 TYR O O 4.785 -2.721 -2.471 1.00 . A A . 15 TYR O 1 1 8 2104 1 1 15 TYR OH O 4.331 2.025 1.826 1.00 . A A . 15 TYR OH 1 1 8 2105 1 1 16 THR C C 5.583 -4.664 0.229 1.00 . A A . 16 THR C 1 1 8 2106 1 1 16 THR CA C 5.197 -3.191 0.274 1.00 . A A . 16 THR CA 1 1 8 2107 1 1 16 THR CB C 5.073 -2.721 1.725 1.00 . A A . 16 THR CB 1 1 8 2108 1 1 16 THR CG2 C 4.385 -3.723 2.632 1.00 . A A . 16 THR CG2 1 1 8 2109 1 1 16 THR H H 3.109 -3.048 0.137 1.00 . A A . 16 THR H 1 1 8 2110 1 1 16 THR HA H 5.950 -2.606 -0.233 1.00 . A A . 16 THR HA 1 1 8 2111 1 1 16 THR HB H 4.483 -1.818 1.740 1.00 . A A . 16 THR HB 1 1 8 2112 1 1 16 THR HG1 H 6.750 -1.713 1.794 1.00 . A A . 16 THR HG1 1 1 8 2113 1 1 16 THR HG21 H 5.128 -4.305 3.157 1.00 . A A . 16 THR HG21 1 1 8 2114 1 1 16 THR HG22 H 3.765 -4.380 2.039 1.00 . A A . 16 THR HG22 1 1 8 2115 1 1 16 THR HG23 H 3.768 -3.197 3.345 1.00 . A A . 16 THR HG23 1 1 8 2116 1 1 16 THR N N 3.929 -2.999 -0.397 1.00 . A A . 16 THR N 1 1 8 2117 1 1 16 THR O O 6.763 -5.014 0.191 1.00 . A A . 16 THR O 1 1 8 2118 1 1 16 THR OG1 O 6.345 -2.437 2.278 1.00 . A A . 16 THR OG1 1 1 8 2119 1 1 17 SER C C 5.308 -7.434 -1.136 1.00 . A A . 17 SER C 1 1 8 2120 1 1 17 SER CA C 4.779 -6.965 0.216 1.00 . A A . 17 SER CA 1 1 8 2121 1 1 17 SER CB C 3.482 -7.702 0.554 1.00 . A A . 17 SER CB 1 1 8 2122 1 1 17 SER H H 3.642 -5.169 0.288 1.00 . A A . 17 SER H 1 1 8 2123 1 1 17 SER HA H 5.517 -7.198 0.964 1.00 . A A . 17 SER HA 1 1 8 2124 1 1 17 SER HB2 H 3.147 -7.406 1.536 1.00 . A A . 17 SER HB2 1 1 8 2125 1 1 17 SER HB3 H 2.726 -7.450 -0.175 1.00 . A A . 17 SER HB3 1 1 8 2126 1 1 17 SER HG H 4.492 -9.321 1.000 1.00 . A A . 17 SER HG 1 1 8 2127 1 1 17 SER N N 4.565 -5.522 0.245 1.00 . A A . 17 SER N 1 1 8 2128 1 1 17 SER O O 5.719 -8.585 -1.282 1.00 . A A . 17 SER O 1 1 8 2129 1 1 17 SER OG O 3.675 -9.107 0.542 1.00 . A A . 17 SER OG 1 1 8 2130 1 1 18 GLU C C 7.311 -6.661 -3.531 1.00 . A A . 18 GLU C 1 1 8 2131 1 1 18 GLU CA C 5.801 -6.885 -3.447 1.00 . A A . 18 GLU CA 1 1 8 2132 1 1 18 GLU CB C 5.076 -6.072 -4.522 1.00 . A A . 18 GLU CB 1 1 8 2133 1 1 18 GLU CD C 3.232 -6.210 -6.245 1.00 . A A . 18 GLU CD 1 1 8 2134 1 1 18 GLU CG C 4.383 -6.930 -5.569 1.00 . A A . 18 GLU CG 1 1 8 2135 1 1 18 GLU H H 4.977 -5.641 -1.946 1.00 . A A . 18 GLU H 1 1 8 2136 1 1 18 GLU HA H 5.601 -7.935 -3.609 1.00 . A A . 18 GLU HA 1 1 8 2137 1 1 18 GLU HB2 H 4.329 -5.452 -4.046 1.00 . A A . 18 GLU HB2 1 1 8 2138 1 1 18 GLU HB3 H 5.790 -5.437 -5.024 1.00 . A A . 18 GLU HB3 1 1 8 2139 1 1 18 GLU HG2 H 5.104 -7.209 -6.322 1.00 . A A . 18 GLU HG2 1 1 8 2140 1 1 18 GLU HG3 H 4.001 -7.820 -5.090 1.00 . A A . 18 GLU HG3 1 1 8 2141 1 1 18 GLU N N 5.308 -6.544 -2.119 1.00 . A A . 18 GLU N 1 1 8 2142 1 1 18 GLU O O 8.063 -7.588 -3.830 1.00 . A A . 18 GLU O 1 1 8 2143 1 1 18 GLU OE1 O 2.144 -6.129 -5.638 1.00 . A A . 18 GLU OE1 1 1 8 2144 1 1 18 GLU OE2 O 3.420 -5.728 -7.382 1.00 . A A . 18 GLU OE2 1 1 8 2145 1 1 19 PRO C C 10.001 -5.678 -2.153 1.00 . A A . 19 PRO C 1 1 8 2146 1 1 19 PRO CA C 9.204 -5.089 -3.317 1.00 . A A . 19 PRO CA 1 1 8 2147 1 1 19 PRO CB C 9.226 -3.554 -3.236 1.00 . A A . 19 PRO CB 1 1 8 2148 1 1 19 PRO CD C 6.973 -4.257 -2.916 1.00 . A A . 19 PRO CD 1 1 8 2149 1 1 19 PRO CG C 7.812 -3.123 -3.420 1.00 . A A . 19 PRO CG 1 1 8 2150 1 1 19 PRO HA H 9.639 -5.402 -4.247 1.00 . A A . 19 PRO HA 1 1 8 2151 1 1 19 PRO HB2 H 9.606 -3.249 -2.268 1.00 . A A . 19 PRO HB2 1 1 8 2152 1 1 19 PRO HB3 H 9.862 -3.163 -4.018 1.00 . A A . 19 PRO HB3 1 1 8 2153 1 1 19 PRO HD2 H 6.837 -4.187 -1.850 1.00 . A A . 19 PRO HD2 1 1 8 2154 1 1 19 PRO HD3 H 6.028 -4.278 -3.423 1.00 . A A . 19 PRO HD3 1 1 8 2155 1 1 19 PRO HG2 H 7.621 -2.230 -2.842 1.00 . A A . 19 PRO HG2 1 1 8 2156 1 1 19 PRO HG3 H 7.614 -2.945 -4.466 1.00 . A A . 19 PRO HG3 1 1 8 2157 1 1 19 PRO N N 7.780 -5.425 -3.268 1.00 . A A . 19 PRO N 1 1 8 2158 1 1 19 PRO O O 10.841 -4.998 -1.564 1.00 . A A . 19 PRO O 1 1 8 2159 1 1 20 ALA C C 11.954 -7.576 -0.951 1.00 . A A . 20 ALA C 1 1 8 2160 1 1 20 ALA CA C 10.447 -7.599 -0.729 1.00 . A A . 20 ALA CA 1 1 8 2161 1 1 20 ALA CB C 9.954 -9.029 -0.566 1.00 . A A . 20 ALA CB 1 1 8 2162 1 1 20 ALA H H 9.067 -7.437 -2.322 1.00 . A A . 20 ALA H 1 1 8 2163 1 1 20 ALA HA H 10.227 -7.061 0.173 1.00 . A A . 20 ALA HA 1 1 8 2164 1 1 20 ALA HB1 H 9.154 -9.052 0.160 1.00 . A A . 20 ALA HB1 1 1 8 2165 1 1 20 ALA HB2 H 10.767 -9.654 -0.227 1.00 . A A . 20 ALA HB2 1 1 8 2166 1 1 20 ALA HB3 H 9.591 -9.395 -1.514 1.00 . A A . 20 ALA HB3 1 1 8 2167 1 1 20 ALA N N 9.742 -6.940 -1.822 1.00 . A A . 20 ALA N 1 1 8 2168 1 1 20 ALA O O 12.737 -7.684 -0.007 1.00 . A A . 20 ALA O 1 1 8 2169 1 1 21 GLN C C 14.303 -5.964 -2.470 1.00 . A A . 21 GLN C 1 1 8 2170 1 1 21 GLN CA C 13.762 -7.386 -2.567 1.00 . A A . 21 GLN CA 1 1 8 2171 1 1 21 GLN CB C 13.965 -7.925 -3.986 1.00 . A A . 21 GLN CB 1 1 8 2172 1 1 21 GLN CD C 13.288 -7.764 -6.414 1.00 . A A . 21 GLN CD 1 1 8 2173 1 1 21 GLN CG C 13.283 -7.089 -5.056 1.00 . A A . 21 GLN CG 1 1 8 2174 1 1 21 GLN H H 11.674 -7.347 -2.905 1.00 . A A . 21 GLN H 1 1 8 2175 1 1 21 GLN HA H 14.302 -8.013 -1.873 1.00 . A A . 21 GLN HA 1 1 8 2176 1 1 21 GLN HB2 H 15.022 -7.953 -4.199 1.00 . A A . 21 GLN HB2 1 1 8 2177 1 1 21 GLN HE21 H 11.472 -8.501 -6.082 1.00 . A A . 21 GLN HE21 1 1 8 2178 1 1 21 GLN HE22 H 12.182 -8.908 -7.604 1.00 . A A . 21 GLN HE22 1 1 8 2179 1 1 21 GLN HG2 H 12.259 -6.915 -4.762 1.00 . A A . 21 GLN HG2 1 1 8 2180 1 1 21 GLN N N 12.350 -7.432 -2.206 1.00 . A A . 21 GLN N 1 1 8 2181 1 1 21 GLN NE2 N 12.205 -8.461 -6.732 1.00 . A A . 21 GLN NE2 1 1 8 2182 1 1 21 GLN O O 15.498 -5.756 -2.263 1.00 . A A . 21 GLN O 1 1 8 2183 1 1 21 GLN OE1 O 14.257 -7.660 -7.167 1.00 . A A . 21 GLN OE1 1 1 8 2184 1 1 22 LYS C C 14.550 -3.277 -1.260 1.00 . A A . 22 LYS C 1 1 8 2185 1 1 22 LYS CA C 13.800 -3.579 -2.554 1.00 . A A . 22 LYS CA 1 1 8 2186 1 1 22 LYS CB C 12.563 -2.684 -2.659 1.00 . A A . 22 LYS CB 1 1 8 2187 1 1 22 LYS CD C 12.752 -1.676 -4.955 1.00 . A A . 22 LYS CD 1 1 8 2188 1 1 22 LYS CE C 13.976 -1.114 -5.661 1.00 . A A . 22 LYS CE 1 1 8 2189 1 1 22 LYS CG C 12.799 -1.412 -3.458 1.00 . A A . 22 LYS CG 1 1 8 2190 1 1 22 LYS H H 12.476 -5.213 -2.787 1.00 . A A . 22 LYS H 1 1 8 2191 1 1 22 LYS HA H 14.451 -3.374 -3.391 1.00 . A A . 22 LYS HA 1 1 8 2192 1 1 22 LYS HB2 H 11.770 -3.241 -3.135 1.00 . A A . 22 LYS HB2 1 1 8 2193 1 1 22 LYS HB3 H 12.249 -2.406 -1.663 1.00 . A A . 22 LYS HB3 1 1 8 2194 1 1 22 LYS HD2 H 12.711 -2.742 -5.124 1.00 . A A . 22 LYS HD2 1 1 8 2195 1 1 22 LYS HD3 H 11.866 -1.211 -5.365 1.00 . A A . 22 LYS HD3 1 1 8 2196 1 1 22 LYS HE2 H 14.821 -1.176 -4.992 1.00 . A A . 22 LYS HE2 1 1 8 2197 1 1 22 LYS HE3 H 14.172 -1.708 -6.542 1.00 . A A . 22 LYS HE3 1 1 8 2198 1 1 22 LYS HG2 H 12.034 -0.694 -3.205 1.00 . A A . 22 LYS HG2 1 1 8 2199 1 1 22 LYS HG3 H 13.769 -1.013 -3.201 1.00 . A A . 22 LYS HG3 1 1 8 2200 1 1 22 LYS HZ1 H 12.776 0.488 -6.256 1.00 . A A . 22 LYS HZ1 1 1 8 2201 1 1 22 LYS HZ2 H 14.330 0.510 -6.927 1.00 . A A . 22 LYS HZ2 1 1 8 2202 1 1 22 LYS HZ3 H 14.100 0.941 -5.307 1.00 . A A . 22 LYS HZ3 1 1 8 2203 1 1 22 LYS N N 13.414 -4.985 -2.622 1.00 . A A . 22 LYS N 1 1 8 2204 1 1 22 LYS NZ N 13.782 0.305 -6.066 1.00 . A A . 22 LYS NZ 1 1 8 2205 1 1 22 LYS O O 15.746 -2.985 -1.279 1.00 . A A . 22 LYS O 1 1 8 2206 1 1 23 ILE C C 14.844 -4.390 1.852 1.00 . A A . 23 ILE C 1 1 8 2207 1 1 23 ILE CA C 14.442 -3.090 1.163 1.00 . A A . 23 ILE CA 1 1 8 2208 1 1 23 ILE CB C 13.481 -2.307 2.080 1.00 . A A . 23 ILE CB 1 1 8 2209 1 1 23 ILE CD1 C 11.414 -0.928 1.529 1.00 . A A . 23 ILE CD1 1 1 8 2210 1 1 23 ILE CG1 C 12.907 -1.094 1.344 1.00 . A A . 23 ILE CG1 1 1 8 2211 1 1 23 ILE CG2 C 14.198 -1.872 3.350 1.00 . A A . 23 ILE CG2 1 1 8 2212 1 1 23 ILE H H 12.892 -3.592 -0.187 1.00 . A A . 23 ILE H 1 1 8 2213 1 1 23 ILE HA H 15.326 -2.489 1.006 1.00 . A A . 23 ILE HA 1 1 8 2214 1 1 23 ILE HB H 12.673 -2.965 2.361 1.00 . A A . 23 ILE HB 1 1 8 2215 1 1 23 ILE HD11 H 11.116 0.054 1.188 1.00 . A A . 23 ILE HD11 1 1 8 2216 1 1 23 ILE HD12 H 11.166 -1.036 2.574 1.00 . A A . 23 ILE HD12 1 1 8 2217 1 1 23 ILE HD13 H 10.894 -1.681 0.955 1.00 . A A . 23 ILE HD13 1 1 8 2218 1 1 23 ILE HG12 H 13.387 -0.198 1.709 1.00 . A A . 23 ILE HG12 1 1 8 2219 1 1 23 ILE HG13 H 13.101 -1.195 0.287 1.00 . A A . 23 ILE HG13 1 1 8 2220 1 1 23 ILE HG21 H 13.773 -0.944 3.704 1.00 . A A . 23 ILE HG21 1 1 8 2221 1 1 23 ILE HG22 H 15.247 -1.730 3.140 1.00 . A A . 23 ILE HG22 1 1 8 2222 1 1 23 ILE HG23 H 14.083 -2.633 4.108 1.00 . A A . 23 ILE HG23 1 1 8 2223 1 1 23 ILE N N 13.842 -3.353 -0.138 1.00 . A A . 23 ILE N 1 1 8 2224 1 1 23 ILE O O 14.668 -4.549 3.060 1.00 . A A . 23 ILE O 1 1 9 2225 1 1 7 SER C C -8.381 -4.976 3.864 1.00 . A A . 7 SER C 1 1 9 2226 1 1 7 SER CA C -8.025 -5.872 5.049 1.00 . A A . 7 SER CA 1 1 9 2227 1 1 7 SER CB C -6.791 -5.334 5.760 1.00 . A A . 7 SER CB 1 1 9 2228 1 1 7 SER H H -7.002 -7.709 5.076 1.00 . A A . 7 SER H 1 1 9 2229 1 1 7 SER HA H -8.848 -5.883 5.739 1.00 . A A . 7 SER HA 1 1 9 2230 1 1 7 SER HB2 H -6.039 -6.115 5.776 1.00 . A A . 7 SER HB2 1 1 9 2231 1 1 7 SER HB3 H -6.411 -4.477 5.226 1.00 . A A . 7 SER HB3 1 1 9 2232 1 1 7 SER HG H -6.280 -4.929 7.607 1.00 . A A . 7 SER HG 1 1 9 2233 1 1 7 SER N N -7.742 -7.237 4.640 1.00 . A A . 7 SER N 1 1 9 2234 1 1 7 SER O O -8.088 -5.299 2.713 1.00 . A A . 7 SER O 1 1 9 2235 1 1 7 SER OG O -7.090 -4.955 7.092 1.00 . A A . 7 SER OG 1 1 9 2236 1 1 8 PRO C C -8.269 -1.854 2.927 1.00 . A A . 8 PRO C 1 1 9 2237 1 1 8 PRO CA C -9.398 -2.847 3.146 1.00 . A A . 8 PRO CA 1 1 9 2238 1 1 8 PRO CB C -10.632 -2.180 3.794 1.00 . A A . 8 PRO CB 1 1 9 2239 1 1 8 PRO CD C -9.375 -3.342 5.472 1.00 . A A . 8 PRO CD 1 1 9 2240 1 1 8 PRO CG C -10.703 -2.705 5.198 1.00 . A A . 8 PRO CG 1 1 9 2241 1 1 8 PRO HA H -9.670 -3.294 2.211 1.00 . A A . 8 PRO HA 1 1 9 2242 1 1 8 PRO HB2 H -10.501 -1.109 3.789 1.00 . A A . 8 PRO HB2 1 1 9 2243 1 1 8 PRO HB3 H -11.519 -2.442 3.231 1.00 . A A . 8 PRO HB3 1 1 9 2244 1 1 8 PRO HD2 H -8.666 -2.603 5.827 1.00 . A A . 8 PRO HD2 1 1 9 2245 1 1 8 PRO HD3 H -9.473 -4.155 6.174 1.00 . A A . 8 PRO HD3 1 1 9 2246 1 1 8 PRO HG2 H -10.877 -1.891 5.886 1.00 . A A . 8 PRO HG2 1 1 9 2247 1 1 8 PRO HG3 H -11.494 -3.437 5.276 1.00 . A A . 8 PRO HG3 1 1 9 2248 1 1 8 PRO N N -9.006 -3.824 4.145 1.00 . A A . 8 PRO N 1 1 9 2249 1 1 8 PRO O O -7.131 -2.246 2.671 1.00 . A A . 8 PRO O 1 1 9 2250 1 1 9 ILE C C -6.368 0.225 3.822 1.00 . A A . 9 ILE C 1 1 9 2251 1 1 9 ILE CA C -7.570 0.467 2.913 1.00 . A A . 9 ILE CA 1 1 9 2252 1 1 9 ILE CB C -8.121 1.889 3.197 1.00 . A A . 9 ILE CB 1 1 9 2253 1 1 9 ILE CD1 C -9.407 1.092 5.255 1.00 . A A . 9 ILE CD1 1 1 9 2254 1 1 9 ILE CG1 C -9.459 1.850 3.945 1.00 . A A . 9 ILE CG1 1 1 9 2255 1 1 9 ILE CG2 C -8.268 2.668 1.900 1.00 . A A . 9 ILE CG2 1 1 9 2256 1 1 9 ILE H H -9.487 -0.339 3.277 1.00 . A A . 9 ILE H 1 1 9 2257 1 1 9 ILE HA H -7.231 0.433 1.901 1.00 . A A . 9 ILE HA 1 1 9 2258 1 1 9 ILE HB H -7.394 2.403 3.808 1.00 . A A . 9 ILE HB 1 1 9 2259 1 1 9 ILE HD11 H -9.006 1.733 6.025 1.00 . A A . 9 ILE HD11 1 1 9 2260 1 1 9 ILE HD12 H -8.775 0.224 5.145 1.00 . A A . 9 ILE HD12 1 1 9 2261 1 1 9 ILE HD13 H -10.404 0.779 5.530 1.00 . A A . 9 ILE HD13 1 1 9 2262 1 1 9 ILE HG12 H -9.768 2.864 4.166 1.00 . A A . 9 ILE HG12 1 1 9 2263 1 1 9 ILE HG13 H -10.205 1.379 3.316 1.00 . A A . 9 ILE HG13 1 1 9 2264 1 1 9 ILE HG21 H -7.421 2.467 1.261 1.00 . A A . 9 ILE HG21 1 1 9 2265 1 1 9 ILE HG22 H -8.311 3.725 2.119 1.00 . A A . 9 ILE HG22 1 1 9 2266 1 1 9 ILE HG23 H -9.176 2.367 1.400 1.00 . A A . 9 ILE HG23 1 1 9 2267 1 1 9 ILE N N -8.574 -0.577 3.061 1.00 . A A . 9 ILE N 1 1 9 2268 1 1 9 ILE O O -5.364 0.931 3.735 1.00 . A A . 9 ILE O 1 1 9 2269 1 1 10 TYS C C -4.414 -2.055 4.897 1.00 . A A . 10 TYS C 1 1 9 2270 1 1 10 TYS CA C -5.368 -1.098 5.583 1.00 . A A . 10 TYS CA 1 1 9 2271 1 1 10 TYS CB C -5.893 -1.696 6.889 1.00 . A A . 10 TYS CB 1 1 9 2272 1 1 10 TYS CD1 C -6.478 -0.886 9.170 1.00 . A A . 10 TYS CD1 1 1 9 2273 1 1 10 TYS CD2 C -7.183 0.429 7.321 1.00 . A A . 10 TYS CD2 1 1 9 2274 1 1 10 TYS CE1 C -7.048 0.009 10.034 1.00 . A A . 10 TYS CE1 1 1 9 2275 1 1 10 TYS CE2 C -7.760 1.336 8.180 1.00 . A A . 10 TYS CE2 1 1 9 2276 1 1 10 TYS CG C -6.533 -0.696 7.806 1.00 . A A . 10 TYS CG 1 1 9 2277 1 1 10 TYS CZ C -7.693 1.125 9.541 1.00 . A A . 10 TYS CZ 1 1 9 2278 1 1 10 TYS H H -7.279 -1.313 4.712 1.00 . A A . 10 TYS H 1 1 9 2279 1 1 10 TYS HA H -4.839 -0.185 5.791 1.00 . A A . 10 TYS HA 1 1 9 2280 1 1 10 TYS HB2 H -5.077 -2.140 7.437 1.00 . A A . 10 TYS HB2 1 1 9 2281 1 1 10 TYS HB3 H -6.625 -2.455 6.666 1.00 . A A . 10 TYS HB3 1 1 9 2282 1 1 10 TYS HD1 H -5.974 -1.759 9.558 1.00 . A A . 10 TYS HD1 1 1 9 2283 1 1 10 TYS HD2 H -7.230 0.591 6.258 1.00 . A A . 10 TYS HD2 1 1 9 2284 1 1 10 TYS HE1 H -6.984 -0.167 11.088 1.00 . A A . 10 TYS HE1 1 1 9 2285 1 1 10 TYS HE2 H -8.262 2.203 7.784 1.00 . A A . 10 TYS HE2 1 1 9 2286 1 1 10 TYS N N -6.463 -0.776 4.686 1.00 . A A . 10 TYS N 1 1 9 2287 1 1 10 TYS O O -3.198 -1.977 5.075 1.00 . A A . 10 TYS O 1 1 9 2288 1 1 10 TYS O1 O -10.157 0.097 10.860 1.00 . A A . 10 TYS O1 1 1 9 2289 1 1 10 TYS O2 O -10.423 2.413 11.725 1.00 . A A . 10 TYS O2 1 1 9 2290 1 1 10 TYS O3 O -10.506 1.990 9.338 1.00 . A A . 10 TYS O3 1 1 9 2291 1 1 10 TYS OH O -8.436 1.913 10.390 1.00 . A A . 10 TYS OH 1 1 9 2292 1 1 10 TYS S S -9.896 1.534 10.644 1.00 . A A . 10 TYS S 1 1 9 2293 1 1 11 ASP C C -3.726 -3.281 2.023 1.00 . A A . 11 ASP C 1 1 9 2294 1 1 11 ASP CA C -4.175 -3.892 3.345 1.00 . A A . 11 ASP CA 1 1 9 2295 1 1 11 ASP CB C -4.959 -5.180 3.087 1.00 . A A . 11 ASP CB 1 1 9 2296 1 1 11 ASP CG C -4.429 -6.348 3.895 1.00 . A A . 11 ASP CG 1 1 9 2297 1 1 11 ASP H H -5.946 -2.939 3.972 1.00 . A A . 11 ASP H 1 1 9 2298 1 1 11 ASP HA H -3.305 -4.121 3.938 1.00 . A A . 11 ASP HA 1 1 9 2299 1 1 11 ASP HB2 H -5.993 -5.022 3.354 1.00 . A A . 11 ASP HB2 1 1 9 2300 1 1 11 ASP HB3 H -4.889 -5.430 2.036 1.00 . A A . 11 ASP HB3 1 1 9 2301 1 1 11 ASP N N -4.974 -2.941 4.088 1.00 . A A . 11 ASP N 1 1 9 2302 1 1 11 ASP O O -3.007 -3.917 1.254 1.00 . A A . 11 ASP O 1 1 9 2303 1 1 11 ASP OD1 O -3.916 -6.116 5.010 1.00 . A A . 11 ASP OD1 1 1 9 2304 1 1 11 ASP OD2 O -4.526 -7.496 3.412 1.00 . A A . 11 ASP OD2 1 1 9 2305 1 1 12 ILE C C -2.300 -0.938 0.544 1.00 . A A . 12 ILE C 1 1 9 2306 1 1 12 ILE CA C -3.759 -1.380 0.510 1.00 . A A . 12 ILE CA 1 1 9 2307 1 1 12 ILE CB C -4.648 -0.167 0.172 1.00 . A A . 12 ILE CB 1 1 9 2308 1 1 12 ILE CD1 C -3.747 2.148 0.722 1.00 . A A . 12 ILE CD1 1 1 9 2309 1 1 12 ILE CG1 C -4.493 0.931 1.224 1.00 . A A . 12 ILE CG1 1 1 9 2310 1 1 12 ILE CG2 C -6.101 -0.596 0.043 1.00 . A A . 12 ILE CG2 1 1 9 2311 1 1 12 ILE H H -4.727 -1.562 2.407 1.00 . A A . 12 ILE H 1 1 9 2312 1 1 12 ILE HA H -3.868 -2.102 -0.283 1.00 . A A . 12 ILE HA 1 1 9 2313 1 1 12 ILE HB H -4.333 0.220 -0.787 1.00 . A A . 12 ILE HB 1 1 9 2314 1 1 12 ILE HD11 H -4.156 2.454 -0.230 1.00 . A A . 12 ILE HD11 1 1 9 2315 1 1 12 ILE HD12 H -2.701 1.904 0.600 1.00 . A A . 12 ILE HD12 1 1 9 2316 1 1 12 ILE HD13 H -3.849 2.953 1.434 1.00 . A A . 12 ILE HD13 1 1 9 2317 1 1 12 ILE HG12 H -5.471 1.255 1.544 1.00 . A A . 12 ILE HG12 1 1 9 2318 1 1 12 ILE HG13 H -3.953 0.537 2.072 1.00 . A A . 12 ILE HG13 1 1 9 2319 1 1 12 ILE HG21 H -6.384 -1.173 0.908 1.00 . A A . 12 ILE HG21 1 1 9 2320 1 1 12 ILE HG22 H -6.221 -1.197 -0.847 1.00 . A A . 12 ILE HG22 1 1 9 2321 1 1 12 ILE HG23 H -6.730 0.280 -0.028 1.00 . A A . 12 ILE HG23 1 1 9 2322 1 1 12 ILE N N -4.148 -2.039 1.755 1.00 . A A . 12 ILE N 1 1 9 2323 1 1 12 ILE O O -1.780 -0.422 -0.441 1.00 . A A . 12 ILE O 1 1 9 2324 1 1 13 ASN C C 0.664 -1.801 1.101 1.00 . A A . 13 ASN C 1 1 9 2325 1 1 13 ASN CA C -0.229 -0.805 1.815 1.00 . A A . 13 ASN CA 1 1 9 2326 1 1 13 ASN CB C 0.150 -0.729 3.293 1.00 . A A . 13 ASN CB 1 1 9 2327 1 1 13 ASN CG C 1.036 0.460 3.604 1.00 . A A . 13 ASN CG 1 1 9 2328 1 1 13 ASN H H -2.093 -1.593 2.421 1.00 . A A . 13 ASN H 1 1 9 2329 1 1 13 ASN HA H -0.076 0.157 1.366 1.00 . A A . 13 ASN HA 1 1 9 2330 1 1 13 ASN HB2 H -0.750 -0.649 3.882 1.00 . A A . 13 ASN HB2 1 1 9 2331 1 1 13 ASN HB3 H 0.677 -1.631 3.567 1.00 . A A . 13 ASN HB3 1 1 9 2332 1 1 13 ASN HD21 H 1.566 -0.358 5.338 1.00 . A A . 13 ASN HD21 1 1 9 2333 1 1 13 ASN HD22 H 2.271 1.180 4.986 1.00 . A A . 13 ASN HD22 1 1 9 2334 1 1 13 ASN N N -1.634 -1.164 1.673 1.00 . A A . 13 ASN N 1 1 9 2335 1 1 13 ASN ND2 N 1.691 0.424 4.759 1.00 . A A . 13 ASN ND2 1 1 9 2336 1 1 13 ASN O O 1.849 -1.906 1.406 1.00 . A A . 13 ASN O 1 1 9 2337 1 1 13 ASN OD1 O 1.132 1.400 2.816 1.00 . A A . 13 ASN OD1 1 1 9 2338 1 1 14 TYS C C 2.041 -2.845 -1.333 1.00 . A A . 14 TYS C 1 1 9 2339 1 1 14 TYS CA C 0.871 -3.494 -0.607 1.00 . A A . 14 TYS CA 1 1 9 2340 1 1 14 TYS CB C -0.010 -4.275 -1.587 1.00 . A A . 14 TYS CB 1 1 9 2341 1 1 14 TYS CD1 C -0.840 -2.045 -2.430 1.00 . A A . 14 TYS CD1 1 1 9 2342 1 1 14 TYS CD2 C -1.994 -4.015 -3.089 1.00 . A A . 14 TYS CD2 1 1 9 2343 1 1 14 TYS CE1 C -1.722 -1.277 -3.160 1.00 . A A . 14 TYS CE1 1 1 9 2344 1 1 14 TYS CE2 C -2.880 -3.261 -3.820 1.00 . A A . 14 TYS CE2 1 1 9 2345 1 1 14 TYS CG C -0.963 -3.424 -2.384 1.00 . A A . 14 TYS CG 1 1 9 2346 1 1 14 TYS CZ C -2.744 -1.890 -3.854 1.00 . A A . 14 TYS CZ 1 1 9 2347 1 1 14 TYS H H -0.844 -2.402 -0.068 1.00 . A A . 14 TYS H 1 1 9 2348 1 1 14 TYS HA H 1.278 -4.168 0.111 1.00 . A A . 14 TYS HA 1 1 9 2349 1 1 14 TYS HB2 H -0.603 -4.987 -1.039 1.00 . A A . 14 TYS HB2 1 1 9 2350 1 1 14 TYS HB3 H 0.619 -4.802 -2.285 1.00 . A A . 14 TYS HB3 1 1 9 2351 1 1 14 TYS HD1 H -0.040 -1.575 -1.876 1.00 . A A . 14 TYS HD1 1 1 9 2352 1 1 14 TYS HD2 H -2.099 -5.089 -3.060 1.00 . A A . 14 TYS HD2 1 1 9 2353 1 1 14 TYS HE1 H -1.612 -0.206 -3.183 1.00 . A A . 14 TYS HE1 1 1 9 2354 1 1 14 TYS HE2 H -3.673 -3.747 -4.356 1.00 . A A . 14 TYS HE2 1 1 9 2355 1 1 14 TYS N N 0.100 -2.524 0.141 1.00 . A A . 14 TYS N 1 1 9 2356 1 1 14 TYS O O 2.931 -3.539 -1.823 1.00 . A A . 14 TYS O 1 1 9 2357 1 1 14 TYS O1 O -2.845 -1.617 -7.018 1.00 . A A . 14 TYS O1 1 1 9 2358 1 1 14 TYS O2 O -1.886 0.258 -5.695 1.00 . A A . 14 TYS O2 1 1 9 2359 1 1 14 TYS O3 O -4.221 0.301 -6.346 1.00 . A A . 14 TYS O3 1 1 9 2360 1 1 14 TYS OH O -3.591 -1.136 -4.633 1.00 . A A . 14 TYS OH 1 1 9 2361 1 1 14 TYS S S -3.071 -0.603 -5.968 1.00 . A A . 14 TYS S 1 1 9 2362 1 1 15 TYR C C 4.462 -1.341 -1.322 1.00 . A A . 15 TYR C 1 1 9 2363 1 1 15 TYR CA C 3.191 -0.812 -1.967 1.00 . A A . 15 TYR CA 1 1 9 2364 1 1 15 TYR CB C 3.083 0.698 -1.738 1.00 . A A . 15 TYR CB 1 1 9 2365 1 1 15 TYR CD1 C 0.592 1.055 -1.452 1.00 . A A . 15 TYR CD1 1 1 9 2366 1 1 15 TYR CD2 C 1.692 2.146 -3.266 1.00 . A A . 15 TYR CD2 1 1 9 2367 1 1 15 TYR CE1 C -0.608 1.626 -1.836 1.00 . A A . 15 TYR CE1 1 1 9 2368 1 1 15 TYR CE2 C 0.497 2.720 -3.652 1.00 . A A . 15 TYR CE2 1 1 9 2369 1 1 15 TYR CG C 1.763 1.306 -2.162 1.00 . A A . 15 TYR CG 1 1 9 2370 1 1 15 TYR CZ C -0.649 2.458 -2.934 1.00 . A A . 15 TYR CZ 1 1 9 2371 1 1 15 TYR H H 1.369 -1.012 -0.913 1.00 . A A . 15 TYR H 1 1 9 2372 1 1 15 TYR HA H 3.200 -1.030 -3.025 1.00 . A A . 15 TYR HA 1 1 9 2373 1 1 15 TYR HB2 H 3.213 0.902 -0.684 1.00 . A A . 15 TYR HB2 1 1 9 2374 1 1 15 TYR HB3 H 3.868 1.192 -2.295 1.00 . A A . 15 TYR HB3 1 1 9 2375 1 1 15 TYR HD1 H 0.627 0.396 -0.591 1.00 . A A . 15 TYR HD1 1 1 9 2376 1 1 15 TYR HD2 H 2.593 2.349 -3.828 1.00 . A A . 15 TYR HD2 1 1 9 2377 1 1 15 TYR HE1 H -1.506 1.426 -1.272 1.00 . A A . 15 TYR HE1 1 1 9 2378 1 1 15 TYR HE2 H 0.465 3.370 -4.514 1.00 . A A . 15 TYR HE2 1 1 9 2379 1 1 15 TYR HH H -1.910 3.018 -4.273 1.00 . A A . 15 TYR HH 1 1 9 2380 1 1 15 TYR N N 2.075 -1.517 -1.353 1.00 . A A . 15 TYR N 1 1 9 2381 1 1 15 TYR O O 5.503 -1.488 -1.960 1.00 . A A . 15 TYR O 1 1 9 2382 1 1 15 TYR OH O -1.842 3.029 -3.316 1.00 . A A . 15 TYR OH 1 1 9 2383 1 1 16 THR C C 5.380 -3.731 0.645 1.00 . A A . 16 THR C 1 1 9 2384 1 1 16 THR CA C 5.385 -2.213 0.769 1.00 . A A . 16 THR CA 1 1 9 2385 1 1 16 THR CB C 5.175 -1.802 2.227 1.00 . A A . 16 THR CB 1 1 9 2386 1 1 16 THR CG2 C 4.139 -2.641 2.950 1.00 . A A . 16 THR CG2 1 1 9 2387 1 1 16 THR H H 3.445 -1.526 0.381 1.00 . A A . 16 THR H 1 1 9 2388 1 1 16 THR HA H 6.330 -1.827 0.414 1.00 . A A . 16 THR HA 1 1 9 2389 1 1 16 THR HB H 4.830 -0.781 2.244 1.00 . A A . 16 THR HB 1 1 9 2390 1 1 16 THR HG1 H 7.052 -1.337 2.533 1.00 . A A . 16 THR HG1 1 1 9 2391 1 1 16 THR HG21 H 4.617 -3.499 3.399 1.00 . A A . 16 THR HG21 1 1 9 2392 1 1 16 THR HG22 H 3.391 -2.975 2.245 1.00 . A A . 16 THR HG22 1 1 9 2393 1 1 16 THR HG23 H 3.667 -2.047 3.718 1.00 . A A . 16 THR HG23 1 1 9 2394 1 1 16 THR N N 4.320 -1.655 -0.037 1.00 . A A . 16 THR N 1 1 9 2395 1 1 16 THR O O 6.427 -4.378 0.676 1.00 . A A . 16 THR O 1 1 9 2396 1 1 16 THR OG1 O 6.385 -1.881 2.958 1.00 . A A . 16 THR OG1 1 1 9 2397 1 1 17 SER C C 4.460 -6.251 -0.968 1.00 . A A . 17 SER C 1 1 9 2398 1 1 17 SER CA C 4.022 -5.741 0.402 1.00 . A A . 17 SER CA 1 1 9 2399 1 1 17 SER CB C 2.573 -6.149 0.673 1.00 . A A . 17 SER CB 1 1 9 2400 1 1 17 SER H H 3.372 -3.716 0.513 1.00 . A A . 17 SER H 1 1 9 2401 1 1 17 SER HA H 4.655 -6.194 1.146 1.00 . A A . 17 SER HA 1 1 9 2402 1 1 17 SER HB2 H 2.171 -5.533 1.464 1.00 . A A . 17 SER HB2 1 1 9 2403 1 1 17 SER HB3 H 1.989 -6.008 -0.225 1.00 . A A . 17 SER HB3 1 1 9 2404 1 1 17 SER HG H 3.178 -7.699 1.707 1.00 . A A . 17 SER HG 1 1 9 2405 1 1 17 SER N N 4.177 -4.294 0.518 1.00 . A A . 17 SER N 1 1 9 2406 1 1 17 SER O O 4.542 -7.458 -1.189 1.00 . A A . 17 SER O 1 1 9 2407 1 1 17 SER OG O 2.490 -7.508 1.064 1.00 . A A . 17 SER OG 1 1 9 2408 1 1 18 GLU C C 6.694 -5.982 -3.219 1.00 . A A . 18 GLU C 1 1 9 2409 1 1 18 GLU CA C 5.191 -5.712 -3.218 1.00 . A A . 18 GLU CA 1 1 9 2410 1 1 18 GLU CB C 4.839 -4.623 -4.236 1.00 . A A . 18 GLU CB 1 1 9 2411 1 1 18 GLU CD C 2.496 -5.030 -5.089 1.00 . A A . 18 GLU CD 1 1 9 2412 1 1 18 GLU CG C 3.980 -5.119 -5.388 1.00 . A A . 18 GLU CG 1 1 9 2413 1 1 18 GLU H H 4.677 -4.386 -1.651 1.00 . A A . 18 GLU H 1 1 9 2414 1 1 18 GLU HA H 4.676 -6.624 -3.487 1.00 . A A . 18 GLU HA 1 1 9 2415 1 1 18 GLU HB2 H 4.302 -3.834 -3.730 1.00 . A A . 18 GLU HB2 1 1 9 2416 1 1 18 GLU HB3 H 5.752 -4.218 -4.646 1.00 . A A . 18 GLU HB3 1 1 9 2417 1 1 18 GLU HG2 H 4.192 -4.522 -6.262 1.00 . A A . 18 GLU HG2 1 1 9 2418 1 1 18 GLU HG3 H 4.230 -6.151 -5.588 1.00 . A A . 18 GLU HG3 1 1 9 2419 1 1 18 GLU N N 4.751 -5.334 -1.882 1.00 . A A . 18 GLU N 1 1 9 2420 1 1 18 GLU O O 7.134 -7.071 -3.586 1.00 . A A . 18 GLU O 1 1 9 2421 1 1 18 GLU OE1 O 1.899 -3.969 -5.366 1.00 . A A . 18 GLU OE1 1 1 9 2422 1 1 18 GLU OE2 O 1.932 -6.020 -4.579 1.00 . A A . 18 GLU OE2 1 1 9 2423 1 1 19 PRO C C 9.448 -6.101 -1.682 1.00 . A A . 19 PRO C 1 1 9 2424 1 1 19 PRO CA C 8.966 -5.121 -2.755 1.00 . A A . 19 PRO CA 1 1 9 2425 1 1 19 PRO CB C 9.450 -3.704 -2.412 1.00 . A A . 19 PRO CB 1 1 9 2426 1 1 19 PRO CD C 7.079 -3.660 -2.367 1.00 . A A . 19 PRO CD 1 1 9 2427 1 1 19 PRO CG C 8.281 -2.821 -2.670 1.00 . A A . 19 PRO CG 1 1 9 2428 1 1 19 PRO HA H 9.362 -5.411 -3.712 1.00 . A A . 19 PRO HA 1 1 9 2429 1 1 19 PRO HB2 H 9.745 -3.663 -1.371 1.00 . A A . 19 PRO HB2 1 1 9 2430 1 1 19 PRO HB3 H 10.289 -3.446 -3.044 1.00 . A A . 19 PRO HB3 1 1 9 2431 1 1 19 PRO HD2 H 6.865 -3.649 -1.313 1.00 . A A . 19 PRO HD2 1 1 9 2432 1 1 19 PRO HD3 H 6.232 -3.321 -2.933 1.00 . A A . 19 PRO HD3 1 1 9 2433 1 1 19 PRO HG2 H 8.316 -1.961 -2.016 1.00 . A A . 19 PRO HG2 1 1 9 2434 1 1 19 PRO HG3 H 8.273 -2.511 -3.704 1.00 . A A . 19 PRO HG3 1 1 9 2435 1 1 19 PRO N N 7.506 -4.991 -2.805 1.00 . A A . 19 PRO N 1 1 9 2436 1 1 19 PRO O O 10.427 -5.830 -0.986 1.00 . A A . 19 PRO O 1 1 9 2437 1 1 20 ALA C C 10.600 -8.661 -0.738 1.00 . A A . 20 ALA C 1 1 9 2438 1 1 20 ALA CA C 9.149 -8.239 -0.559 1.00 . A A . 20 ALA CA 1 1 9 2439 1 1 20 ALA CB C 8.227 -9.445 -0.643 1.00 . A A . 20 ALA CB 1 1 9 2440 1 1 20 ALA H H 8.001 -7.407 -2.126 1.00 . A A . 20 ALA H 1 1 9 2441 1 1 20 ALA HA H 9.038 -7.797 0.412 1.00 . A A . 20 ALA HA 1 1 9 2442 1 1 20 ALA HB1 H 7.230 -9.120 -0.900 1.00 . A A . 20 ALA HB1 1 1 9 2443 1 1 20 ALA HB2 H 8.207 -9.950 0.311 1.00 . A A . 20 ALA HB2 1 1 9 2444 1 1 20 ALA HB3 H 8.591 -10.124 -1.401 1.00 . A A . 20 ALA HB3 1 1 9 2445 1 1 20 ALA N N 8.768 -7.237 -1.549 1.00 . A A . 20 ALA N 1 1 9 2446 1 1 20 ALA O O 11.262 -9.084 0.211 1.00 . A A . 20 ALA O 1 1 9 2447 1 1 21 GLN C C 13.390 -7.698 -2.031 1.00 . A A . 21 GLN C 1 1 9 2448 1 1 21 GLN CA C 12.463 -8.881 -2.285 1.00 . A A . 21 GLN CA 1 1 9 2449 1 1 21 GLN CB C 12.568 -9.327 -3.745 1.00 . A A . 21 GLN CB 1 1 9 2450 1 1 21 GLN CD C 12.219 -11.302 -5.280 1.00 . A A . 21 GLN CD 1 1 9 2451 1 1 21 GLN CG C 11.708 -10.536 -4.076 1.00 . A A . 21 GLN CG 1 1 9 2452 1 1 21 GLN H H 10.504 -8.178 -2.662 1.00 . A A . 21 GLN H 1 1 9 2453 1 1 21 GLN HA H 12.757 -9.699 -1.644 1.00 . A A . 21 GLN HA 1 1 9 2454 1 1 21 GLN HB2 H 12.263 -8.510 -4.381 1.00 . A A . 21 GLN HB2 1 1 9 2455 1 1 21 GLN HE21 H 11.601 -9.853 -6.494 1.00 . A A . 21 GLN HE21 1 1 9 2456 1 1 21 GLN HE22 H 12.364 -11.201 -7.261 1.00 . A A . 21 GLN HE22 1 1 9 2457 1 1 21 GLN HG2 H 11.699 -11.200 -3.223 1.00 . A A . 21 GLN HG2 1 1 9 2458 1 1 21 GLN N N 11.086 -8.530 -1.960 1.00 . A A . 21 GLN N 1 1 9 2459 1 1 21 GLN NE2 N 12.043 -10.728 -6.464 1.00 . A A . 21 GLN NE2 1 1 9 2460 1 1 21 GLN O O 14.558 -7.874 -1.683 1.00 . A A . 21 GLN O 1 1 9 2461 1 1 21 GLN OE1 O 12.765 -12.397 -5.148 1.00 . A A . 21 GLN OE1 1 1 9 2462 1 1 22 LYS C C 14.074 -5.153 -0.546 1.00 . A A . 22 LYS C 1 1 9 2463 1 1 22 LYS CA C 13.633 -5.274 -2.001 1.00 . A A . 22 LYS CA 1 1 9 2464 1 1 22 LYS CB C 12.809 -4.049 -2.400 1.00 . A A . 22 LYS CB 1 1 9 2465 1 1 22 LYS CD C 13.951 -2.576 -4.085 1.00 . A A . 22 LYS CD 1 1 9 2466 1 1 22 LYS CE C 14.980 -1.473 -4.281 1.00 . A A . 22 LYS CE 1 1 9 2467 1 1 22 LYS CG C 13.646 -2.797 -2.613 1.00 . A A . 22 LYS CG 1 1 9 2468 1 1 22 LYS H H 11.923 -6.419 -2.487 1.00 . A A . 22 LYS H 1 1 9 2469 1 1 22 LYS HA H 14.510 -5.327 -2.629 1.00 . A A . 22 LYS HA 1 1 9 2470 1 1 22 LYS HB2 H 12.285 -4.265 -3.318 1.00 . A A . 22 LYS HB2 1 1 9 2471 1 1 22 LYS HB3 H 12.088 -3.846 -1.622 1.00 . A A . 22 LYS HB3 1 1 9 2472 1 1 22 LYS HD2 H 14.338 -3.492 -4.505 1.00 . A A . 22 LYS HD2 1 1 9 2473 1 1 22 LYS HD3 H 13.040 -2.300 -4.595 1.00 . A A . 22 LYS HD3 1 1 9 2474 1 1 22 LYS HE2 H 15.041 -0.890 -3.375 1.00 . A A . 22 LYS HE2 1 1 9 2475 1 1 22 LYS HE3 H 15.940 -1.926 -4.482 1.00 . A A . 22 LYS HE3 1 1 9 2476 1 1 22 LYS HG2 H 13.101 -1.943 -2.237 1.00 . A A . 22 LYS HG2 1 1 9 2477 1 1 22 LYS HG3 H 14.575 -2.901 -2.072 1.00 . A A . 22 LYS HG3 1 1 9 2478 1 1 22 LYS HZ1 H 14.009 -1.074 -6.087 1.00 . A A . 22 LYS HZ1 1 1 9 2479 1 1 22 LYS HZ2 H 15.482 -0.261 -5.907 1.00 . A A . 22 LYS HZ2 1 1 9 2480 1 1 22 LYS HZ3 H 14.117 0.263 -5.057 1.00 . A A . 22 LYS HZ3 1 1 9 2481 1 1 22 LYS N N 12.859 -6.492 -2.210 1.00 . A A . 22 LYS N 1 1 9 2482 1 1 22 LYS NZ N 14.622 -0.573 -5.413 1.00 . A A . 22 LYS NZ 1 1 9 2483 1 1 22 LYS O O 15.249 -4.919 -0.260 1.00 . A A . 22 LYS O 1 1 9 2484 1 1 23 ILE C C 13.269 -6.581 2.473 1.00 . A A . 23 ILE C 1 1 9 2485 1 1 23 ILE CA C 13.412 -5.221 1.795 1.00 . A A . 23 ILE CA 1 1 9 2486 1 1 23 ILE CB C 12.482 -4.208 2.492 1.00 . A A . 23 ILE CB 1 1 9 2487 1 1 23 ILE CD1 C 11.021 -2.499 1.297 1.00 . A A . 23 ILE CD1 1 1 9 2488 1 1 23 ILE CG1 C 12.424 -2.900 1.697 1.00 . A A . 23 ILE CG1 1 1 9 2489 1 1 23 ILE CG2 C 12.953 -3.950 3.917 1.00 . A A . 23 ILE CG2 1 1 9 2490 1 1 23 ILE H H 12.206 -5.497 0.079 1.00 . A A . 23 ILE H 1 1 9 2491 1 1 23 ILE HA H 14.431 -4.879 1.908 1.00 . A A . 23 ILE HA 1 1 9 2492 1 1 23 ILE HB H 11.492 -4.636 2.540 1.00 . A A . 23 ILE HB 1 1 9 2493 1 1 23 ILE HD11 H 11.002 -2.256 0.244 1.00 . A A . 23 ILE HD11 1 1 9 2494 1 1 23 ILE HD12 H 10.714 -1.637 1.871 1.00 . A A . 23 ILE HD12 1 1 9 2495 1 1 23 ILE HD13 H 10.344 -3.319 1.489 1.00 . A A . 23 ILE HD13 1 1 9 2496 1 1 23 ILE HG12 H 12.837 -2.101 2.296 1.00 . A A . 23 ILE HG12 1 1 9 2497 1 1 23 ILE HG13 H 13.008 -3.006 0.795 1.00 . A A . 23 ILE HG13 1 1 9 2498 1 1 23 ILE HG21 H 12.840 -4.851 4.501 1.00 . A A . 23 ILE HG21 1 1 9 2499 1 1 23 ILE HG22 H 12.360 -3.160 4.353 1.00 . A A . 23 ILE HG22 1 1 9 2500 1 1 23 ILE HG23 H 13.992 -3.656 3.905 1.00 . A A . 23 ILE HG23 1 1 9 2501 1 1 23 ILE N N 13.124 -5.313 0.369 1.00 . A A . 23 ILE N 1 1 9 2502 1 1 23 ILE O O 12.456 -6.753 3.382 1.00 . A A . 23 ILE O 1 1 10 2503 1 1 7 SER C C -9.711 1.273 4.264 1.00 . A A . 7 SER C 1 1 10 2504 1 1 7 SER CA C -10.271 2.651 4.631 1.00 . A A . 7 SER CA 1 1 10 2505 1 1 7 SER CB C -11.479 2.504 5.543 1.00 . A A . 7 SER CB 1 1 10 2506 1 1 7 SER H H -11.617 3.473 3.241 1.00 . A A . 7 SER H 1 1 10 2507 1 1 7 SER HA H -9.502 3.187 5.162 1.00 . A A . 7 SER HA 1 1 10 2508 1 1 7 SER HB2 H -12.286 3.105 5.141 1.00 . A A . 7 SER HB2 1 1 10 2509 1 1 7 SER HB3 H -11.782 1.469 5.574 1.00 . A A . 7 SER HB3 1 1 10 2510 1 1 7 SER HG H -10.981 2.184 7.411 1.00 . A A . 7 SER HG 1 1 10 2511 1 1 7 SER N N -10.673 3.452 3.490 1.00 . A A . 7 SER N 1 1 10 2512 1 1 7 SER O O -9.142 0.610 5.128 1.00 . A A . 7 SER O 1 1 10 2513 1 1 7 SER OG O -11.189 2.942 6.859 1.00 . A A . 7 SER OG 1 1 10 2514 1 1 8 PRO C C -7.746 -0.437 2.490 1.00 . A A . 8 PRO C 1 1 10 2515 1 1 8 PRO CA C -9.253 -0.495 2.630 1.00 . A A . 8 PRO CA 1 1 10 2516 1 1 8 PRO CB C -9.891 -0.821 1.276 1.00 . A A . 8 PRO CB 1 1 10 2517 1 1 8 PRO CD C -10.403 1.471 1.842 1.00 . A A . 8 PRO CD 1 1 10 2518 1 1 8 PRO CG C -10.794 0.326 0.949 1.00 . A A . 8 PRO CG 1 1 10 2519 1 1 8 PRO HA H -9.512 -1.249 3.351 1.00 . A A . 8 PRO HA 1 1 10 2520 1 1 8 PRO HB2 H -9.111 -0.931 0.531 1.00 . A A . 8 PRO HB2 1 1 10 2521 1 1 8 PRO HB3 H -10.446 -1.745 1.361 1.00 . A A . 8 PRO HB3 1 1 10 2522 1 1 8 PRO HD2 H -9.675 2.105 1.353 1.00 . A A . 8 PRO HD2 1 1 10 2523 1 1 8 PRO HD3 H -11.277 2.034 2.125 1.00 . A A . 8 PRO HD3 1 1 10 2524 1 1 8 PRO HG2 H -10.668 0.604 -0.086 1.00 . A A . 8 PRO HG2 1 1 10 2525 1 1 8 PRO HG3 H -11.821 0.042 1.135 1.00 . A A . 8 PRO HG3 1 1 10 2526 1 1 8 PRO N N -9.807 0.803 2.999 1.00 . A A . 8 PRO N 1 1 10 2527 1 1 8 PRO O O -7.143 -1.217 1.751 1.00 . A A . 8 PRO O 1 1 10 2528 1 1 9 ILE C C -5.016 -0.420 3.983 1.00 . A A . 9 ILE C 1 1 10 2529 1 1 9 ILE CA C -5.706 0.663 3.172 1.00 . A A . 9 ILE CA 1 1 10 2530 1 1 9 ILE CB C -5.273 2.068 3.660 1.00 . A A . 9 ILE CB 1 1 10 2531 1 1 9 ILE CD1 C -6.201 1.643 5.997 1.00 . A A . 9 ILE CD1 1 1 10 2532 1 1 9 ILE CG1 C -5.012 2.084 5.172 1.00 . A A . 9 ILE CG1 1 1 10 2533 1 1 9 ILE CG2 C -6.319 3.107 3.297 1.00 . A A . 9 ILE CG2 1 1 10 2534 1 1 9 ILE H H -7.679 1.075 3.774 1.00 . A A . 9 ILE H 1 1 10 2535 1 1 9 ILE HA H -5.403 0.553 2.150 1.00 . A A . 9 ILE HA 1 1 10 2536 1 1 9 ILE HB H -4.367 2.329 3.143 1.00 . A A . 9 ILE HB 1 1 10 2537 1 1 9 ILE HD11 H -6.718 0.846 5.485 1.00 . A A . 9 ILE HD11 1 1 10 2538 1 1 9 ILE HD12 H -6.872 2.477 6.135 1.00 . A A . 9 ILE HD12 1 1 10 2539 1 1 9 ILE HD13 H -5.860 1.292 6.959 1.00 . A A . 9 ILE HD13 1 1 10 2540 1 1 9 ILE HG12 H -4.188 1.420 5.396 1.00 . A A . 9 ILE HG12 1 1 10 2541 1 1 9 ILE HG13 H -4.753 3.092 5.473 1.00 . A A . 9 ILE HG13 1 1 10 2542 1 1 9 ILE HG21 H -6.839 2.797 2.403 1.00 . A A . 9 ILE HG21 1 1 10 2543 1 1 9 ILE HG22 H -5.837 4.057 3.122 1.00 . A A . 9 ILE HG22 1 1 10 2544 1 1 9 ILE HG23 H -7.025 3.204 4.108 1.00 . A A . 9 ILE HG23 1 1 10 2545 1 1 9 ILE N N -7.143 0.493 3.207 1.00 . A A . 9 ILE N 1 1 10 2546 1 1 9 ILE O O -3.801 -0.585 3.911 1.00 . A A . 9 ILE O 1 1 10 2547 1 1 10 TYS C C -4.552 -3.264 4.631 1.00 . A A . 10 TYS C 1 1 10 2548 1 1 10 TYS CA C -5.222 -2.247 5.543 1.00 . A A . 10 TYS CA 1 1 10 2549 1 1 10 TYS CB C -6.253 -2.961 6.434 1.00 . A A . 10 TYS CB 1 1 10 2550 1 1 10 TYS CD1 C -8.582 -2.489 5.590 1.00 . A A . 10 TYS CD1 1 1 10 2551 1 1 10 TYS CD2 C -7.885 -1.533 7.651 1.00 . A A . 10 TYS CD2 1 1 10 2552 1 1 10 TYS CE1 C -9.825 -1.909 5.738 1.00 . A A . 10 TYS CE1 1 1 10 2553 1 1 10 TYS CE2 C -9.111 -0.947 7.806 1.00 . A A . 10 TYS CE2 1 1 10 2554 1 1 10 TYS CG C -7.596 -2.306 6.546 1.00 . A A . 10 TYS CG 1 1 10 2555 1 1 10 TYS CZ C -10.087 -1.135 6.850 1.00 . A A . 10 TYS CZ 1 1 10 2556 1 1 10 TYS H H -6.763 -0.994 4.753 1.00 . A A . 10 TYS H 1 1 10 2557 1 1 10 TYS HA H -4.460 -1.809 6.165 1.00 . A A . 10 TYS HA 1 1 10 2558 1 1 10 TYS HB2 H -5.859 -3.022 7.437 1.00 . A A . 10 TYS HB2 1 1 10 2559 1 1 10 TYS HB3 H -6.412 -3.960 6.062 1.00 . A A . 10 TYS HB3 1 1 10 2560 1 1 10 TYS HD1 H -8.368 -3.092 4.719 1.00 . A A . 10 TYS HD1 1 1 10 2561 1 1 10 TYS HD2 H -7.119 -1.384 8.398 1.00 . A A . 10 TYS HD2 1 1 10 2562 1 1 10 TYS HE1 H -10.582 -2.061 4.987 1.00 . A A . 10 TYS HE1 1 1 10 2563 1 1 10 TYS HE2 H -9.302 -0.351 8.677 1.00 . A A . 10 TYS HE2 1 1 10 2564 1 1 10 TYS N N -5.796 -1.169 4.744 1.00 . A A . 10 TYS N 1 1 10 2565 1 1 10 TYS O O -3.482 -3.787 4.942 1.00 . A A . 10 TYS O 1 1 10 2566 1 1 10 TYS O1 O -12.499 -2.406 8.066 1.00 . A A . 10 TYS O1 1 1 10 2567 1 1 10 TYS O2 O -11.964 -0.313 9.297 1.00 . A A . 10 TYS O2 1 1 10 2568 1 1 10 TYS O3 O -13.544 -0.271 7.458 1.00 . A A . 10 TYS O3 1 1 10 2569 1 1 10 TYS OH O -11.285 -0.466 6.953 1.00 . A A . 10 TYS OH 1 1 10 2570 1 1 10 TYS S S -12.301 -0.946 7.990 1.00 . A A . 10 TYS S 1 1 10 2571 1 1 11 ASP C C -3.689 -3.780 1.565 1.00 . A A . 11 ASP C 1 1 10 2572 1 1 11 ASP CA C -4.651 -4.471 2.528 1.00 . A A . 11 ASP CA 1 1 10 2573 1 1 11 ASP CB C -5.787 -5.130 1.744 1.00 . A A . 11 ASP CB 1 1 10 2574 1 1 11 ASP CG C -6.483 -6.218 2.539 1.00 . A A . 11 ASP CG 1 1 10 2575 1 1 11 ASP H H -6.031 -3.074 3.302 1.00 . A A . 11 ASP H 1 1 10 2576 1 1 11 ASP HA H -4.114 -5.232 3.072 1.00 . A A . 11 ASP HA 1 1 10 2577 1 1 11 ASP HB2 H -6.521 -4.378 1.483 1.00 . A A . 11 ASP HB2 1 1 10 2578 1 1 11 ASP HB3 H -5.385 -5.571 0.841 1.00 . A A . 11 ASP HB3 1 1 10 2579 1 1 11 ASP N N -5.186 -3.529 3.496 1.00 . A A . 11 ASP N 1 1 10 2580 1 1 11 ASP O O -3.241 -4.384 0.589 1.00 . A A . 11 ASP O 1 1 10 2581 1 1 11 ASP OD1 O -5.852 -7.267 2.786 1.00 . A A . 11 ASP OD1 1 1 10 2582 1 1 11 ASP OD2 O -7.657 -6.020 2.915 1.00 . A A . 11 ASP OD2 1 1 10 2583 1 1 12 ILE C C -1.001 -2.004 1.342 1.00 . A A . 12 ILE C 1 1 10 2584 1 1 12 ILE CA C -2.458 -1.767 0.965 1.00 . A A . 12 ILE CA 1 1 10 2585 1 1 12 ILE CB C -2.766 -0.249 0.974 1.00 . A A . 12 ILE CB 1 1 10 2586 1 1 12 ILE CD1 C -0.760 0.579 -0.389 1.00 . A A . 12 ILE CD1 1 1 10 2587 1 1 12 ILE CG1 C -2.265 0.406 -0.321 1.00 . A A . 12 ILE CG1 1 1 10 2588 1 1 12 ILE CG2 C -2.165 0.438 2.199 1.00 . A A . 12 ILE CG2 1 1 10 2589 1 1 12 ILE H H -3.756 -2.071 2.626 1.00 . A A . 12 ILE H 1 1 10 2590 1 1 12 ILE HA H -2.602 -2.132 -0.031 1.00 . A A . 12 ILE HA 1 1 10 2591 1 1 12 ILE HB H -3.837 -0.130 1.026 1.00 . A A . 12 ILE HB 1 1 10 2592 1 1 12 ILE HD11 H -0.527 1.562 -0.768 1.00 . A A . 12 ILE HD11 1 1 10 2593 1 1 12 ILE HD12 H -0.341 -0.169 -1.046 1.00 . A A . 12 ILE HD12 1 1 10 2594 1 1 12 ILE HD13 H -0.338 0.465 0.600 1.00 . A A . 12 ILE HD13 1 1 10 2595 1 1 12 ILE HG12 H -2.562 -0.204 -1.161 1.00 . A A . 12 ILE HG12 1 1 10 2596 1 1 12 ILE HG13 H -2.714 1.382 -0.418 1.00 . A A . 12 ILE HG13 1 1 10 2597 1 1 12 ILE HG21 H -2.916 1.057 2.666 1.00 . A A . 12 ILE HG21 1 1 10 2598 1 1 12 ILE HG22 H -1.330 1.052 1.899 1.00 . A A . 12 ILE HG22 1 1 10 2599 1 1 12 ILE HG23 H -1.828 -0.309 2.902 1.00 . A A . 12 ILE HG23 1 1 10 2600 1 1 12 ILE N N -3.370 -2.512 1.833 1.00 . A A . 12 ILE N 1 1 10 2601 1 1 12 ILE O O -0.090 -1.738 0.560 1.00 . A A . 12 ILE O 1 1 10 2602 1 1 13 ASN C C 1.219 -3.903 2.258 1.00 . A A . 13 ASN C 1 1 10 2603 1 1 13 ASN CA C 0.553 -2.782 3.024 1.00 . A A . 13 ASN CA 1 1 10 2604 1 1 13 ASN CB C 0.516 -3.098 4.507 1.00 . A A . 13 ASN CB 1 1 10 2605 1 1 13 ASN CG C -0.135 -4.435 4.809 1.00 . A A . 13 ASN CG 1 1 10 2606 1 1 13 ASN H H -1.557 -2.705 3.115 1.00 . A A . 13 ASN H 1 1 10 2607 1 1 13 ASN HA H 1.140 -1.899 2.874 1.00 . A A . 13 ASN HA 1 1 10 2608 1 1 13 ASN HB2 H 1.525 -3.114 4.882 1.00 . A A . 13 ASN HB2 1 1 10 2609 1 1 13 ASN HB3 H -0.042 -2.324 5.005 1.00 . A A . 13 ASN HB3 1 1 10 2610 1 1 13 ASN HD21 H 0.559 -4.382 6.671 1.00 . A A . 13 ASN HD21 1 1 10 2611 1 1 13 ASN HD22 H -0.378 -5.774 6.258 1.00 . A A . 13 ASN HD22 1 1 10 2612 1 1 13 ASN N N -0.790 -2.510 2.540 1.00 . A A . 13 ASN N 1 1 10 2613 1 1 13 ASN ND2 N 0.032 -4.913 6.037 1.00 . A A . 13 ASN ND2 1 1 10 2614 1 1 13 ASN O O 2.426 -4.099 2.365 1.00 . A A . 13 ASN O 1 1 10 2615 1 1 13 ASN OD1 O -0.781 -5.032 3.948 1.00 . A A . 13 ASN OD1 1 1 10 2616 1 1 14 TYS C C 2.078 -5.147 -0.273 1.00 . A A . 14 TYS C 1 1 10 2617 1 1 14 TYS CA C 1.009 -5.693 0.667 1.00 . A A . 14 TYS CA 1 1 10 2618 1 1 14 TYS CB C -0.086 -6.431 -0.105 1.00 . A A . 14 TYS CB 1 1 10 2619 1 1 14 TYS CD1 C -1.270 -6.281 -2.309 1.00 . A A . 14 TYS CD1 1 1 10 2620 1 1 14 TYS CD2 C -0.665 -4.261 -1.217 1.00 . A A . 14 TYS CD2 1 1 10 2621 1 1 14 TYS CE1 C -1.833 -5.564 -3.339 1.00 . A A . 14 TYS CE1 1 1 10 2622 1 1 14 TYS CE2 C -1.224 -3.531 -2.243 1.00 . A A . 14 TYS CE2 1 1 10 2623 1 1 14 TYS CG C -0.679 -5.642 -1.236 1.00 . A A . 14 TYS CG 1 1 10 2624 1 1 14 TYS CZ C -1.809 -4.186 -3.306 1.00 . A A . 14 TYS CZ 1 1 10 2625 1 1 14 TYS H H -0.504 -4.409 1.398 1.00 . A A . 14 TYS H 1 1 10 2626 1 1 14 TYS HA H 1.483 -6.371 1.347 1.00 . A A . 14 TYS HA 1 1 10 2627 1 1 14 TYS HB2 H -0.890 -6.669 0.569 1.00 . A A . 14 TYS HB2 1 1 10 2628 1 1 14 TYS HB3 H 0.318 -7.342 -0.514 1.00 . A A . 14 TYS HB3 1 1 10 2629 1 1 14 TYS HD1 H -1.285 -7.361 -2.332 1.00 . A A . 14 TYS HD1 1 1 10 2630 1 1 14 TYS HD2 H -0.204 -3.755 -0.382 1.00 . A A . 14 TYS HD2 1 1 10 2631 1 1 14 TYS HE1 H -2.289 -6.084 -4.161 1.00 . A A . 14 TYS HE1 1 1 10 2632 1 1 14 TYS HE2 H -1.201 -2.457 -2.207 1.00 . A A . 14 TYS HE2 1 1 10 2633 1 1 14 TYS N N 0.448 -4.619 1.464 1.00 . A A . 14 TYS N 1 1 10 2634 1 1 14 TYS O O 2.894 -5.897 -0.808 1.00 . A A . 14 TYS O 1 1 10 2635 1 1 14 TYS O1 O -3.971 -1.842 -2.902 1.00 . A A . 14 TYS O1 1 1 10 2636 1 1 14 TYS O2 O -4.725 -4.160 -3.393 1.00 . A A . 14 TYS O2 1 1 10 2637 1 1 14 TYS O3 O -4.443 -2.566 -5.198 1.00 . A A . 14 TYS O3 1 1 10 2638 1 1 14 TYS OH O -2.534 -3.470 -4.231 1.00 . A A . 14 TYS OH 1 1 10 2639 1 1 14 TYS S S -3.930 -2.982 -3.839 1.00 . A A . 14 TYS S 1 1 10 2640 1 1 15 TYR C C 4.478 -3.543 -0.722 1.00 . A A . 15 TYR C 1 1 10 2641 1 1 15 TYR CA C 3.098 -3.165 -1.249 1.00 . A A . 15 TYR CA 1 1 10 2642 1 1 15 TYR CB C 2.884 -1.646 -1.196 1.00 . A A . 15 TYR CB 1 1 10 2643 1 1 15 TYR CD1 C 3.426 -1.299 1.247 1.00 . A A . 15 TYR CD1 1 1 10 2644 1 1 15 TYR CD2 C 4.551 0.059 -0.357 1.00 . A A . 15 TYR CD2 1 1 10 2645 1 1 15 TYR CE1 C 4.107 -0.664 2.269 1.00 . A A . 15 TYR CE1 1 1 10 2646 1 1 15 TYR CE2 C 5.238 0.698 0.659 1.00 . A A . 15 TYR CE2 1 1 10 2647 1 1 15 TYR CG C 3.636 -0.948 -0.080 1.00 . A A . 15 TYR CG 1 1 10 2648 1 1 15 TYR CZ C 5.011 0.332 1.970 1.00 . A A . 15 TYR CZ 1 1 10 2649 1 1 15 TYR H H 1.449 -3.276 0.052 1.00 . A A . 15 TYR H 1 1 10 2650 1 1 15 TYR HA H 2.992 -3.513 -2.266 1.00 . A A . 15 TYR HA 1 1 10 2651 1 1 15 TYR HB2 H 3.200 -1.210 -2.131 1.00 . A A . 15 TYR HB2 1 1 10 2652 1 1 15 TYR HB3 H 1.829 -1.451 -1.047 1.00 . A A . 15 TYR HB3 1 1 10 2653 1 1 15 TYR HD1 H 2.717 -2.081 1.477 1.00 . A A . 15 TYR HD1 1 1 10 2654 1 1 15 TYR HD2 H 4.727 0.343 -1.384 1.00 . A A . 15 TYR HD2 1 1 10 2655 1 1 15 TYR HE1 H 3.930 -0.951 3.295 1.00 . A A . 15 TYR HE1 1 1 10 2656 1 1 15 TYR HE2 H 5.946 1.479 0.424 1.00 . A A . 15 TYR HE2 1 1 10 2657 1 1 15 TYR HH H 5.101 1.108 3.728 1.00 . A A . 15 TYR HH 1 1 10 2658 1 1 15 TYR N N 2.098 -3.824 -0.429 1.00 . A A . 15 TYR N 1 1 10 2659 1 1 15 TYR O O 5.461 -3.592 -1.460 1.00 . A A . 15 TYR O 1 1 10 2660 1 1 15 TYR OH O 5.691 0.967 2.985 1.00 . A A . 15 TYR OH 1 1 10 2661 1 1 16 THR C C 5.894 -5.744 1.145 1.00 . A A . 16 THR C 1 1 10 2662 1 1 16 THR CA C 5.722 -4.236 1.259 1.00 . A A . 16 THR CA 1 1 10 2663 1 1 16 THR CB C 5.635 -3.821 2.730 1.00 . A A . 16 THR CB 1 1 10 2664 1 1 16 THR CG2 C 4.778 -4.745 3.574 1.00 . A A . 16 THR CG2 1 1 10 2665 1 1 16 THR H H 3.680 -3.781 1.090 1.00 . A A . 16 THR H 1 1 10 2666 1 1 16 THR HA H 6.560 -3.743 0.794 1.00 . A A . 16 THR HA 1 1 10 2667 1 1 16 THR HB H 5.195 -2.837 2.780 1.00 . A A . 16 THR HB 1 1 10 2668 1 1 16 THR HG1 H 7.431 -3.063 2.909 1.00 . A A . 16 THR HG1 1 1 10 2669 1 1 16 THR HG21 H 5.403 -5.489 4.044 1.00 . A A . 16 THR HG21 1 1 10 2670 1 1 16 THR HG22 H 4.046 -5.232 2.947 1.00 . A A . 16 THR HG22 1 1 10 2671 1 1 16 THR HG23 H 4.270 -4.169 4.334 1.00 . A A . 16 THR HG23 1 1 10 2672 1 1 16 THR N N 4.511 -3.830 0.575 1.00 . A A . 16 THR N 1 1 10 2673 1 1 16 THR O O 7.012 -6.255 1.066 1.00 . A A . 16 THR O 1 1 10 2674 1 1 16 THR OG1 O 6.922 -3.767 3.318 1.00 . A A . 16 THR OG1 1 1 10 2675 1 1 17 SER C C 5.603 -8.387 -0.134 1.00 . A A . 17 SER C 1 1 10 2676 1 1 17 SER CA C 4.765 -7.904 1.046 1.00 . A A . 17 SER CA 1 1 10 2677 1 1 17 SER CB C 3.331 -8.430 0.940 1.00 . A A . 17 SER CB 1 1 10 2678 1 1 17 SER H H 3.904 -5.969 1.216 1.00 . A A . 17 SER H 1 1 10 2679 1 1 17 SER HA H 5.205 -8.290 1.942 1.00 . A A . 17 SER HA 1 1 10 2680 1 1 17 SER HB2 H 2.703 -7.669 0.503 1.00 . A A . 17 SER HB2 1 1 10 2681 1 1 17 SER HB3 H 3.318 -9.309 0.313 1.00 . A A . 17 SER HB3 1 1 10 2682 1 1 17 SER HG H 1.937 -9.147 2.115 1.00 . A A . 17 SER HG 1 1 10 2683 1 1 17 SER N N 4.765 -6.448 1.144 1.00 . A A . 17 SER N 1 1 10 2684 1 1 17 SER O O 6.806 -8.610 -0.004 1.00 . A A . 17 SER O 1 1 10 2685 1 1 17 SER OG O 2.815 -8.770 2.214 1.00 . A A . 17 SER OG 1 1 10 2686 1 1 18 GLU C C 6.841 -8.129 -2.811 1.00 . A A . 18 GLU C 1 1 10 2687 1 1 18 GLU CA C 5.641 -9.016 -2.481 1.00 . A A . 18 GLU CA 1 1 10 2688 1 1 18 GLU CB C 4.670 -9.062 -3.665 1.00 . A A . 18 GLU CB 1 1 10 2689 1 1 18 GLU CD C 5.566 -11.083 -4.888 1.00 . A A . 18 GLU CD 1 1 10 2690 1 1 18 GLU CG C 4.385 -10.471 -4.161 1.00 . A A . 18 GLU CG 1 1 10 2691 1 1 18 GLU H H 4.003 -8.362 -1.310 1.00 . A A . 18 GLU H 1 1 10 2692 1 1 18 GLU HA H 5.998 -10.017 -2.287 1.00 . A A . 18 GLU HA 1 1 10 2693 1 1 18 GLU HB2 H 3.736 -8.613 -3.367 1.00 . A A . 18 GLU HB2 1 1 10 2694 1 1 18 GLU HB3 H 5.089 -8.494 -4.483 1.00 . A A . 18 GLU HB3 1 1 10 2695 1 1 18 GLU HG2 H 4.140 -11.093 -3.315 1.00 . A A . 18 GLU HG2 1 1 10 2696 1 1 18 GLU HG3 H 3.543 -10.436 -4.837 1.00 . A A . 18 GLU HG3 1 1 10 2697 1 1 18 GLU N N 4.959 -8.551 -1.278 1.00 . A A . 18 GLU N 1 1 10 2698 1 1 18 GLU O O 7.964 -8.620 -2.930 1.00 . A A . 18 GLU O 1 1 10 2699 1 1 18 GLU OE1 O 6.460 -10.323 -5.316 1.00 . A A . 18 GLU OE1 1 1 10 2700 1 1 18 GLU OE2 O 5.598 -12.324 -5.028 1.00 . A A . 18 GLU OE2 1 1 10 2701 1 1 19 PRO C C 8.617 -5.565 -2.115 1.00 . A A . 19 PRO C 1 1 10 2702 1 1 19 PRO CA C 7.696 -5.866 -3.298 1.00 . A A . 19 PRO CA 1 1 10 2703 1 1 19 PRO CB C 6.950 -4.589 -3.718 1.00 . A A . 19 PRO CB 1 1 10 2704 1 1 19 PRO CD C 5.336 -6.130 -2.874 1.00 . A A . 19 PRO CD 1 1 10 2705 1 1 19 PRO CG C 5.513 -4.976 -3.814 1.00 . A A . 19 PRO CG 1 1 10 2706 1 1 19 PRO HA H 8.279 -6.224 -4.124 1.00 . A A . 19 PRO HA 1 1 10 2707 1 1 19 PRO HB2 H 7.101 -3.820 -2.970 1.00 . A A . 19 PRO HB2 1 1 10 2708 1 1 19 PRO HB3 H 7.331 -4.252 -4.671 1.00 . A A . 19 PRO HB3 1 1 10 2709 1 1 19 PRO HD2 H 5.158 -5.779 -1.869 1.00 . A A . 19 PRO HD2 1 1 10 2710 1 1 19 PRO HD3 H 4.540 -6.767 -3.206 1.00 . A A . 19 PRO HD3 1 1 10 2711 1 1 19 PRO HG2 H 4.887 -4.148 -3.516 1.00 . A A . 19 PRO HG2 1 1 10 2712 1 1 19 PRO HG3 H 5.280 -5.278 -4.825 1.00 . A A . 19 PRO HG3 1 1 10 2713 1 1 19 PRO N N 6.626 -6.810 -2.972 1.00 . A A . 19 PRO N 1 1 10 2714 1 1 19 PRO O O 9.071 -4.434 -1.950 1.00 . A A . 19 PRO O 1 1 10 2715 1 1 20 ALA C C 11.166 -5.962 -0.566 1.00 . A A . 20 ALA C 1 1 10 2716 1 1 20 ALA CA C 9.769 -6.399 -0.142 1.00 . A A . 20 ALA CA 1 1 10 2717 1 1 20 ALA CB C 9.836 -7.682 0.673 1.00 . A A . 20 ALA CB 1 1 10 2718 1 1 20 ALA H H 8.514 -7.456 -1.475 1.00 . A A . 20 ALA H 1 1 10 2719 1 1 20 ALA HA H 9.342 -5.630 0.475 1.00 . A A . 20 ALA HA 1 1 10 2720 1 1 20 ALA HB1 H 10.831 -7.801 1.077 1.00 . A A . 20 ALA HB1 1 1 10 2721 1 1 20 ALA HB2 H 9.602 -8.525 0.039 1.00 . A A . 20 ALA HB2 1 1 10 2722 1 1 20 ALA HB3 H 9.123 -7.632 1.482 1.00 . A A . 20 ALA HB3 1 1 10 2723 1 1 20 ALA N N 8.897 -6.576 -1.298 1.00 . A A . 20 ALA N 1 1 10 2724 1 1 20 ALA O O 11.926 -5.411 0.229 1.00 . A A . 20 ALA O 1 1 10 2725 1 1 21 GLN C C 12.785 -4.407 -2.900 1.00 . A A . 21 GLN C 1 1 10 2726 1 1 21 GLN CA C 12.792 -5.842 -2.372 1.00 . A A . 21 GLN CA 1 1 10 2727 1 1 21 GLN CB C 13.187 -6.805 -3.491 1.00 . A A . 21 GLN CB 1 1 10 2728 1 1 21 GLN CD C 12.820 -6.034 -5.868 1.00 . A A . 21 GLN CD 1 1 10 2729 1 1 21 GLN CG C 12.242 -6.778 -4.681 1.00 . A A . 21 GLN CG 1 1 10 2730 1 1 21 GLN H H 10.839 -6.646 -2.405 1.00 . A A . 21 GLN H 1 1 10 2731 1 1 21 GLN HA H 13.517 -5.915 -1.575 1.00 . A A . 21 GLN HA 1 1 10 2732 1 1 21 GLN HB2 H 14.177 -6.549 -3.840 1.00 . A A . 21 GLN HB2 1 1 10 2733 1 1 21 GLN HE21 H 14.479 -7.125 -5.777 1.00 . A A . 21 GLN HE21 1 1 10 2734 1 1 21 GLN HE22 H 14.430 -5.938 -7.032 1.00 . A A . 21 GLN HE22 1 1 10 2735 1 1 21 GLN HG2 H 12.031 -7.794 -4.981 1.00 . A A . 21 GLN HG2 1 1 10 2736 1 1 21 GLN N N 11.491 -6.209 -1.827 1.00 . A A . 21 GLN N 1 1 10 2737 1 1 21 GLN NE2 N 14.033 -6.402 -6.266 1.00 . A A . 21 GLN NE2 1 1 10 2738 1 1 21 GLN O O 13.823 -3.886 -3.308 1.00 . A A . 21 GLN O 1 1 10 2739 1 1 21 GLN OE1 O 12.184 -5.137 -6.423 1.00 . A A . 21 GLN OE1 1 1 10 2740 1 1 22 LYS C C 12.582 -1.512 -2.787 1.00 . A A . 22 LYS C 1 1 10 2741 1 1 22 LYS CA C 11.482 -2.396 -3.367 1.00 . A A . 22 LYS CA 1 1 10 2742 1 1 22 LYS CB C 10.110 -1.833 -2.994 1.00 . A A . 22 LYS CB 1 1 10 2743 1 1 22 LYS CD C 8.260 -0.284 -3.698 1.00 . A A . 22 LYS CD 1 1 10 2744 1 1 22 LYS CE C 7.898 0.954 -4.502 1.00 . A A . 22 LYS CE 1 1 10 2745 1 1 22 LYS CG C 9.756 -0.551 -3.731 1.00 . A A . 22 LYS CG 1 1 10 2746 1 1 22 LYS H H 10.819 -4.233 -2.554 1.00 . A A . 22 LYS H 1 1 10 2747 1 1 22 LYS HA H 11.575 -2.408 -4.444 1.00 . A A . 22 LYS HA 1 1 10 2748 1 1 22 LYS HB2 H 9.356 -2.572 -3.220 1.00 . A A . 22 LYS HB2 1 1 10 2749 1 1 22 LYS HB3 H 10.094 -1.628 -1.933 1.00 . A A . 22 LYS HB3 1 1 10 2750 1 1 22 LYS HD2 H 7.744 -1.135 -4.116 1.00 . A A . 22 LYS HD2 1 1 10 2751 1 1 22 LYS HD3 H 7.952 -0.141 -2.673 1.00 . A A . 22 LYS HD3 1 1 10 2752 1 1 22 LYS HE2 H 8.348 0.877 -5.480 1.00 . A A . 22 LYS HE2 1 1 10 2753 1 1 22 LYS HE3 H 6.823 1.000 -4.603 1.00 . A A . 22 LYS HE3 1 1 10 2754 1 1 22 LYS HG2 H 10.269 0.276 -3.263 1.00 . A A . 22 LYS HG2 1 1 10 2755 1 1 22 LYS HG3 H 10.075 -0.639 -4.760 1.00 . A A . 22 LYS HG3 1 1 10 2756 1 1 22 LYS HZ1 H 8.522 2.946 -4.557 1.00 . A A . 22 LYS HZ1 1 1 10 2757 1 1 22 LYS HZ2 H 9.279 2.025 -3.356 1.00 . A A . 22 LYS HZ2 1 1 10 2758 1 1 22 LYS HZ3 H 7.678 2.532 -3.151 1.00 . A A . 22 LYS HZ3 1 1 10 2759 1 1 22 LYS N N 11.613 -3.770 -2.890 1.00 . A A . 22 LYS N 1 1 10 2760 1 1 22 LYS NZ N 8.378 2.202 -3.846 1.00 . A A . 22 LYS NZ 1 1 10 2761 1 1 22 LYS O O 13.040 -0.566 -3.429 1.00 . A A . 22 LYS O 1 1 10 2762 1 1 23 ILE C C 15.190 -2.017 -0.478 1.00 . A A . 23 ILE C 1 1 10 2763 1 1 23 ILE CA C 14.058 -1.088 -0.897 1.00 . A A . 23 ILE CA 1 1 10 2764 1 1 23 ILE CB C 13.522 -0.351 0.346 1.00 . A A . 23 ILE CB 1 1 10 2765 1 1 23 ILE CD1 C 11.084 0.073 0.946 1.00 . A A . 23 ILE CD1 1 1 10 2766 1 1 23 ILE CG1 C 12.228 0.397 0.011 1.00 . A A . 23 ILE CG1 1 1 10 2767 1 1 23 ILE CG2 C 14.573 0.608 0.890 1.00 . A A . 23 ILE CG2 1 1 10 2768 1 1 23 ILE H H 12.603 -2.607 -1.117 1.00 . A A . 23 ILE H 1 1 10 2769 1 1 23 ILE HA H 14.443 -0.354 -1.590 1.00 . A A . 23 ILE HA 1 1 10 2770 1 1 23 ILE HB H 13.315 -1.087 1.110 1.00 . A A . 23 ILE HB 1 1 10 2771 1 1 23 ILE HD11 H 10.246 0.719 0.728 1.00 . A A . 23 ILE HD11 1 1 10 2772 1 1 23 ILE HD12 H 11.399 0.226 1.967 1.00 . A A . 23 ILE HD12 1 1 10 2773 1 1 23 ILE HD13 H 10.789 -0.957 0.810 1.00 . A A . 23 ILE HD13 1 1 10 2774 1 1 23 ILE HG12 H 12.410 1.460 0.067 1.00 . A A . 23 ILE HG12 1 1 10 2775 1 1 23 ILE HG13 H 11.920 0.142 -0.993 1.00 . A A . 23 ILE HG13 1 1 10 2776 1 1 23 ILE HG21 H 14.277 1.624 0.678 1.00 . A A . 23 ILE HG21 1 1 10 2777 1 1 23 ILE HG22 H 15.524 0.404 0.421 1.00 . A A . 23 ILE HG22 1 1 10 2778 1 1 23 ILE HG23 H 14.662 0.475 1.958 1.00 . A A . 23 ILE HG23 1 1 10 2779 1 1 23 ILE N N 13.005 -1.837 -1.571 1.00 . A A . 23 ILE N 1 1 10 2780 1 1 23 ILE O O 15.832 -1.810 0.551 1.00 . A A . 23 ILE O 1 1 stop_ save_
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