NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
601244 | 2n9c | 25900 | cing | 4-filtered-FRED | STAR | entry | full | 196 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n9c # This FRED archive file contains, for PDB entry <2n9c>: # # - 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_2n9c _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n9c _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2100.46 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 $GTPase_NRas A . 1 1 stop_ save_ save_GTPase_NRas _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "GTPase NRas" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code MTEYKLVVVGAGGVGKSHVW _Entity.Number_of_monomers 20 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 THR . 1 1 3 GLU . 1 1 4 TYR . 1 1 5 LYS . 1 1 6 LEU . 1 1 7 VAL . 1 1 8 VAL . 1 1 9 VAL . 1 1 10 GLY . 1 1 11 ALA . 1 1 12 GLY . 1 1 13 GLY . 1 1 14 VAL . 1 1 15 GLY . 1 1 16 LYS . 1 1 17 SER . 1 1 18 HIS . 1 1 19 VAL . 1 1 20 TRP . 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 THR 2 2 1 1 GLU 3 3 1 1 TYR 4 4 1 1 LYS 5 5 1 1 LEU 6 6 1 1 VAL 7 7 1 1 VAL 8 8 1 1 VAL 9 9 1 1 GLY 10 10 1 1 ALA 11 11 1 1 GLY 12 12 1 1 GLY 13 13 1 1 VAL 14 14 1 1 GLY 15 15 1 1 LYS 16 16 1 1 SER 17 17 1 1 HIS 18 18 1 1 VAL 19 19 1 1 TRP 20 20 1 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 134 1 . . . 1 1 135 1 . . . 1 1 136 1 . . . 1 1 137 1 . . . 1 1 138 1 . . . 1 1 139 1 . . . 1 1 140 1 . . . 1 1 141 1 . . . 1 1 142 1 . . . 1 1 143 1 . . . 1 1 144 1 . . . 1 1 145 1 . . . 1 1 146 1 . . . 1 1 147 1 . . . 1 1 148 1 . . . 1 1 149 1 . . . 1 1 150 1 . . . 1 1 151 1 . . . 1 1 152 1 . . . 1 1 153 1 . . . 1 1 154 1 . . . 1 1 155 1 . . . 1 1 156 1 . . . 1 1 157 1 . . . 1 1 158 1 . . . 1 1 159 1 . . . 1 1 160 1 . . . 1 1 161 1 . . . 1 1 162 1 . . . 1 1 163 1 . . . 1 1 164 1 . . . 1 1 165 1 . . . 1 1 166 1 . . . 1 1 167 1 . . . 1 1 168 1 . . . 1 1 169 1 . . . 1 1 170 1 . . . 1 1 171 1 . . . 1 1 172 1 . . . 1 1 173 1 . . . 1 1 174 1 . . . 1 1 175 1 . . . 1 1 176 1 . . . 1 1 177 1 . . . 1 1 178 1 . . . 1 1 179 1 . . . 1 1 180 1 . . . 1 1 181 1 . . . 1 1 182 1 . . . 1 1 183 1 . . . 1 1 184 1 . . . 1 1 185 1 . . . 1 1 186 1 . . . 1 1 187 1 . . . 1 1 188 1 . . . 1 1 189 1 . . . 1 1 190 1 . . . 1 1 191 1 . . . 1 1 192 1 . . . 1 1 193 1 . . . 1 1 194 1 . . . 1 1 195 1 . . . 1 1 196 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 MET H1 . 1 MET H 1 1 1 1 2 1 1 1 MET HB2 . 1 MET HB2 1 1 2 1 1 1 1 1 MET H1 . 1 MET H 1 1 2 1 2 1 1 1 MET HB3 . 1 MET HB3 1 1 3 1 1 1 1 1 MET H1 . 1 MET H 1 1 3 1 2 1 1 1 MET QG . 1 MET QG 1 1 4 1 1 1 1 1 MET H1 . 1 MET H 1 1 4 1 2 1 1 2 THR H . 2 THR H 1 1 5 1 1 1 1 1 MET QG . 1 MET QG 1 1 5 1 2 1 1 2 THR H . 2 THR H 1 1 6 1 1 1 1 2 THR H . 2 THR H 1 1 6 1 2 1 1 2 THR HB . 2 THR HB 1 1 7 1 1 1 1 2 THR H . 2 THR H 1 1 7 1 2 1 1 2 THR MG . 2 THR QG2 1 1 8 1 1 1 1 2 THR H . 2 THR H 1 1 8 1 2 1 1 3 GLU H . 3 GLU H 1 1 9 1 1 1 1 2 THR HA . 2 THR HA 1 1 9 1 2 1 1 5 LYS QB . 5 LYS QB 1 1 10 1 1 1 1 2 THR MG . 2 THR QG2 1 1 10 1 2 1 1 3 GLU H . 3 GLU H 1 1 11 1 1 1 1 2 THR MG . 2 THR QG2 1 1 11 1 2 1 1 3 GLU HA . 3 GLU HA 1 1 12 1 1 1 1 2 THR MG . 2 THR QG2 1 1 12 1 2 1 1 3 GLU QB . 3 GLU QB 1 1 13 1 1 1 1 2 THR MG . 2 THR QG2 1 1 13 1 2 1 1 3 GLU QG . 3 GLU QG 1 1 14 1 1 1 1 2 THR MG . 2 THR QG2 1 1 14 1 2 1 1 4 TYR H . 4 TYR H 1 1 15 1 1 1 1 2 THR MG . 2 THR QG2 1 1 15 1 2 1 1 4 TYR QB . 4 TYR QB 1 1 16 1 1 1 1 2 THR MG . 2 THR QG2 1 1 16 1 2 1 1 4 TYR HD1 . 4 TYR HD2 1 1 17 1 1 1 1 2 THR MG . 2 THR QG2 1 1 17 1 2 1 1 4 TYR HE1 . 4 TYR HE2 1 1 18 1 1 1 1 2 THR MG . 2 THR QG2 1 1 18 1 2 1 1 5 LYS H . 5 LYS H 1 1 19 1 1 1 1 2 THR MG . 2 THR QG2 1 1 19 1 2 1 1 5 LYS QB . 5 LYS QB 1 1 20 1 1 1 1 2 THR MG . 2 THR QG2 1 1 20 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 21 1 1 1 1 2 THR MG . 2 THR QG2 1 1 21 1 2 1 1 5 LYS QE . 5 LYS QE 1 1 22 1 1 1 1 3 GLU H . 3 GLU H 1 1 22 1 2 1 1 3 GLU HA . 3 GLU HA 1 1 23 1 1 1 1 3 GLU H . 3 GLU H 1 1 23 1 2 1 1 3 GLU QB . 3 GLU QB 1 1 24 1 1 1 1 3 GLU H . 3 GLU H 1 1 24 1 2 1 1 4 TYR H . 4 TYR H 1 1 25 1 1 1 1 3 GLU H . 3 GLU H 1 1 25 1 2 1 1 4 TYR HD1 . 4 TYR HD2 1 1 26 1 1 1 1 3 GLU H . 3 GLU H 1 1 26 1 2 1 1 5 LYS H . 5 LYS H 1 1 27 1 1 1 1 3 GLU QB . 3 GLU QB 1 1 27 1 2 1 1 4 TYR H . 4 TYR H 1 1 28 1 1 1 1 3 GLU QB . 3 GLU QB 1 1 28 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 29 1 1 1 1 3 GLU QG . 3 GLU QG 1 1 29 1 2 1 1 4 TYR QB . 4 TYR QB 1 1 30 1 1 1 1 3 GLU QG . 3 GLU QG 1 1 30 1 2 1 1 5 LYS H . 5 LYS H 1 1 31 1 1 1 1 3 GLU QG . 3 GLU QG 1 1 31 1 2 1 1 6 LEU H . 6 LEU H 1 1 32 1 1 1 1 4 TYR H . 4 TYR H 1 1 32 1 2 1 1 4 TYR QB . 4 TYR QB 1 1 33 1 1 1 1 4 TYR H . 4 TYR H 1 1 33 1 2 1 1 4 TYR HD1 . 4 TYR HD2 1 1 34 1 1 1 1 4 TYR H . 4 TYR H 1 1 34 1 2 1 1 4 TYR HD2 . 4 TYR HD1 1 1 35 1 1 1 1 4 TYR H . 4 TYR H 1 1 35 1 2 1 1 4 TYR HE1 . 4 TYR HE2 1 1 36 1 1 1 1 4 TYR H . 4 TYR H 1 1 36 1 2 1 1 4 TYR HE2 . 4 TYR HE1 1 1 37 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 37 1 2 1 1 5 LYS H . 5 LYS H 1 1 38 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 38 1 2 1 1 7 VAL H . 7 VAL H 1 1 39 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 39 1 2 1 1 7 VAL HB . 7 VAL HB 1 1 40 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 40 1 2 1 1 7 VAL MG2 . 7 VAL QG2 1 1 41 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 41 1 2 1 1 8 VAL H . 8 VAL H 1 1 42 1 1 1 1 4 TYR HA . 4 TYR HA 1 1 42 1 2 1 1 8 VAL QG . 8 VAL QQG 1 1 43 1 1 1 1 4 TYR QB . 4 TYR QB 1 1 43 1 2 1 1 4 TYR HD1 . 4 TYR HD2 1 1 44 1 1 1 1 4 TYR QB . 4 TYR QB 1 1 44 1 2 1 1 5 LYS H . 5 LYS H 1 1 45 1 1 1 1 4 TYR QB . 4 TYR QB 1 1 45 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 46 1 1 1 1 4 TYR QB . 4 TYR QB 1 1 46 1 2 1 1 5 LYS HG3 . 5 LYS HG3 1 1 47 1 1 1 1 4 TYR QB . 4 TYR QB 1 1 47 1 2 1 1 7 VAL HB . 7 VAL HB 1 1 48 1 1 1 1 4 TYR QB . 4 TYR QB 1 1 48 1 2 1 1 8 VAL QG . 8 VAL QQG 1 1 49 1 1 1 1 4 TYR HD1 . 4 TYR HD2 1 1 49 1 2 1 1 5 LYS H . 5 LYS H 1 1 50 1 1 1 1 4 TYR HD1 . 4 TYR HD2 1 1 50 1 2 1 1 5 LYS HA . 5 LYS HA 1 1 51 1 1 1 1 4 TYR HD1 . 4 TYR HD2 1 1 51 1 2 1 1 5 LYS QB . 5 LYS QB 1 1 52 1 1 1 1 4 TYR HD1 . 4 TYR HD2 1 1 52 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 53 1 1 1 1 4 TYR HD1 . 4 TYR HD2 1 1 53 1 2 1 1 5 LYS HG2 . 5 LYS HG2 1 1 54 1 1 1 1 4 TYR HD1 . 4 TYR HD2 1 1 54 1 2 1 1 5 LYS HG3 . 5 LYS HG3 1 1 55 1 1 1 1 4 TYR HD1 . 4 TYR HD2 1 1 55 1 2 1 1 8 VAL HB . 8 VAL HB 1 1 56 1 1 1 1 4 TYR HD2 . 4 TYR HD1 1 1 56 1 2 1 1 20 TRP HB2 . 20 TRP HB2 1 1 57 1 1 1 1 4 TYR HE1 . 4 TYR HE2 1 1 57 1 2 1 1 5 LYS H . 5 LYS H 1 1 58 1 1 1 1 4 TYR HE1 . 4 TYR HE2 1 1 58 1 2 1 1 5 LYS HA . 5 LYS HA 1 1 59 1 1 1 1 4 TYR HE1 . 4 TYR HE2 1 1 59 1 2 1 1 5 LYS QB . 5 LYS QB 1 1 60 1 1 1 1 4 TYR HE1 . 4 TYR HE2 1 1 60 1 2 1 1 5 LYS HG2 . 5 LYS HG2 1 1 61 1 1 1 1 4 TYR HE1 . 4 TYR HE2 1 1 61 1 2 1 1 5 LYS HG3 . 5 LYS HG3 1 1 62 1 1 1 1 4 TYR HE2 . 4 TYR HE1 1 1 62 1 2 1 1 20 TRP HB2 . 20 TRP HB2 1 1 63 1 1 1 1 4 TYR HE2 . 4 TYR HE1 1 1 63 1 2 1 1 20 TRP HB3 . 20 TRP HB3 1 1 64 1 1 1 1 4 TYR HE2 . 4 TYR HE1 1 1 64 1 2 1 1 20 TRP HD1 . 20 TRP HD1 1 1 65 1 1 1 1 4 TYR HE2 . 4 TYR HE1 1 1 65 1 2 1 1 20 TRP HE3 . 20 TRP HE3 1 1 66 1 1 1 1 5 LYS H . 5 LYS H 1 1 66 1 2 1 1 5 LYS HA . 5 LYS HA 1 1 67 1 1 1 1 5 LYS H . 5 LYS H 1 1 67 1 2 1 1 5 LYS QB . 5 LYS QB 1 1 68 1 1 1 1 5 LYS H . 5 LYS H 1 1 68 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 69 1 1 1 1 5 LYS H . 5 LYS H 1 1 69 1 2 1 1 5 LYS HG2 . 5 LYS HG2 1 1 70 1 1 1 1 5 LYS H . 5 LYS H 1 1 70 1 2 1 1 5 LYS HG3 . 5 LYS HG3 1 1 71 1 1 1 1 5 LYS HA . 5 LYS HA 1 1 71 1 2 1 1 5 LYS QD . 5 LYS QD 1 1 72 1 1 1 1 5 LYS HA . 5 LYS HA 1 1 72 1 2 1 1 5 LYS HG2 . 5 LYS HG2 1 1 73 1 1 1 1 5 LYS HA . 5 LYS HA 1 1 73 1 2 1 1 5 LYS HG3 . 5 LYS HG3 1 1 74 1 1 1 1 5 LYS HA . 5 LYS HA 1 1 74 1 2 1 1 6 LEU H . 6 LEU H 1 1 75 1 1 1 1 5 LYS QB . 5 LYS QB 1 1 75 1 2 1 1 5 LYS QE . 5 LYS QE 1 1 76 1 1 1 1 5 LYS QD . 5 LYS QD 1 1 76 1 2 1 1 9 VAL HB . 9 VAL HB 1 1 77 1 1 1 1 5 LYS QE . 5 LYS QE 1 1 77 1 2 1 1 5 LYS HG2 . 5 LYS HG2 1 1 78 1 1 1 1 5 LYS QE . 5 LYS QE 1 1 78 1 2 1 1 5 LYS HG3 . 5 LYS HG3 1 1 79 1 1 1 1 5 LYS HG2 . 5 LYS HG2 1 1 79 1 2 1 1 9 VAL HB . 9 VAL HB 1 1 80 1 1 1 1 5 LYS HG2 . 5 LYS HG2 1 1 80 1 2 1 1 9 VAL MG2 . 9 VAL QG2 1 1 81 1 1 1 1 6 LEU H . 6 LEU H 1 1 81 1 2 1 1 6 LEU HB3 . 6 LEU HB3 1 1 82 1 1 1 1 6 LEU H . 6 LEU H 1 1 82 1 2 1 1 6 LEU MD1 . 6 LEU QD1 1 1 83 1 1 1 1 6 LEU H . 6 LEU H 1 1 83 1 2 1 1 6 LEU MD2 . 6 LEU QD2 1 1 84 1 1 1 1 6 LEU H . 6 LEU H 1 1 84 1 2 1 1 6 LEU HG . 6 LEU HG 1 1 85 1 1 1 1 6 LEU HA . 6 LEU HA 1 1 85 1 2 1 1 6 LEU MD1 . 6 LEU QD1 1 1 86 1 1 1 1 6 LEU HA . 6 LEU HA 1 1 86 1 2 1 1 6 LEU HG . 6 LEU HG 1 1 87 1 1 1 1 6 LEU HA . 6 LEU HA 1 1 87 1 2 1 1 7 VAL H . 7 VAL H 1 1 88 1 1 1 1 6 LEU HA . 6 LEU HA 1 1 88 1 2 1 1 10 GLY H . 10 GLY H 1 1 89 1 1 1 1 6 LEU HB2 . 6 LEU HB2 1 1 89 1 2 1 1 6 LEU MD2 . 6 LEU QD2 1 1 90 1 1 1 1 6 LEU HB2 . 6 LEU HB2 1 1 90 1 2 1 1 6 LEU HG . 6 LEU HG 1 1 91 1 1 1 1 6 LEU HB2 . 6 LEU HB2 1 1 91 1 2 1 1 7 VAL MG2 . 7 VAL QG2 1 1 92 1 1 1 1 6 LEU HB3 . 6 LEU HB3 1 1 92 1 2 1 1 6 LEU MD1 . 6 LEU QD1 1 1 93 1 1 1 1 6 LEU HB3 . 6 LEU HB3 1 1 93 1 2 1 1 6 LEU MD2 . 6 LEU QD2 1 1 94 1 1 1 1 6 LEU HB3 . 6 LEU HB3 1 1 94 1 2 1 1 6 LEU HG . 6 LEU HG 1 1 95 1 1 1 1 6 LEU HG . 6 LEU HG 1 1 95 1 2 1 1 7 VAL H . 7 VAL H 1 1 96 1 1 1 1 6 LEU HG . 6 LEU HG 1 1 96 1 2 1 1 7 VAL HA . 7 VAL HA 1 1 97 1 1 1 1 6 LEU HG . 6 LEU HG 1 1 97 1 2 1 1 7 VAL HB . 7 VAL HB 1 1 98 1 1 1 1 6 LEU HG . 6 LEU HG 1 1 98 1 2 1 1 7 VAL MG2 . 7 VAL QG2 1 1 99 1 1 1 1 7 VAL H . 7 VAL H 1 1 99 1 2 1 1 7 VAL MG2 . 7 VAL QG2 1 1 100 1 1 1 1 7 VAL H . 7 VAL H 1 1 100 1 2 1 1 10 GLY H . 10 GLY H 1 1 101 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 101 1 2 1 1 7 VAL MG1 . 7 VAL QG1 1 1 102 1 1 1 1 7 VAL HA . 7 VAL HA 1 1 102 1 2 1 1 7 VAL MG2 . 7 VAL QG2 1 1 103 1 1 1 1 7 VAL HB . 7 VAL HB 1 1 103 1 2 1 1 8 VAL H . 8 VAL H 1 1 104 1 1 1 1 8 VAL H . 8 VAL H 1 1 104 1 2 1 1 8 VAL HB . 8 VAL HB 1 1 105 1 1 1 1 8 VAL H . 8 VAL H 1 1 105 1 2 1 1 8 VAL QG . 8 VAL QQG 1 1 106 1 1 1 1 8 VAL H . 8 VAL H 1 1 106 1 2 1 1 9 VAL H . 9 VAL H 1 1 107 1 1 1 1 8 VAL H . 8 VAL H 1 1 107 1 2 1 1 10 GLY H . 10 GLY H 1 1 108 1 1 1 1 8 VAL HA . 8 VAL HA 1 1 108 1 2 1 1 8 VAL QG . 8 VAL QQG 1 1 109 1 1 1 1 8 VAL HA . 8 VAL HA 1 1 109 1 2 1 1 11 ALA H . 11 ALA H 1 1 110 1 1 1 1 8 VAL HA . 8 VAL HA 1 1 110 1 2 1 1 11 ALA MB . 11 ALA QB 1 1 111 1 1 1 1 8 VAL HB . 8 VAL HB 1 1 111 1 2 1 1 9 VAL H . 9 VAL H 1 1 112 1 1 1 1 8 VAL QG . 8 VAL QQG 1 1 112 1 2 1 1 9 VAL H . 9 VAL H 1 1 113 1 1 1 1 8 VAL QG . 8 VAL QQG 1 1 113 1 2 1 1 9 VAL HA . 9 VAL HA 1 1 114 1 1 1 1 8 VAL QG . 8 VAL QQG 1 1 114 1 2 1 1 11 ALA H . 11 ALA H 1 1 115 1 1 1 1 8 VAL QG . 8 VAL QQG 1 1 115 1 2 1 1 14 VAL H . 14 VAL H 1 1 116 1 1 1 1 8 VAL QG . 8 VAL QQG 1 1 116 1 2 1 1 14 VAL HB . 14 VAL HB 1 1 117 1 1 1 1 9 VAL H . 9 VAL H 1 1 117 1 2 1 1 9 VAL HB . 9 VAL HB 1 1 118 1 1 1 1 9 VAL H . 9 VAL H 1 1 118 1 2 1 1 9 VAL MG1 . 9 VAL QG1 1 1 119 1 1 1 1 9 VAL H . 9 VAL H 1 1 119 1 2 1 1 9 VAL MG2 . 9 VAL QG2 1 1 120 1 1 1 1 9 VAL HA . 9 VAL HA 1 1 120 1 2 1 1 9 VAL MG1 . 9 VAL QG1 1 1 121 1 1 1 1 9 VAL HA . 9 VAL HA 1 1 121 1 2 1 1 9 VAL MG2 . 9 VAL QG2 1 1 122 1 1 1 1 9 VAL HA . 9 VAL HA 1 1 122 1 2 1 1 14 VAL H . 14 VAL H 1 1 123 1 1 1 1 9 VAL HB . 9 VAL HB 1 1 123 1 2 1 1 10 GLY H . 10 GLY H 1 1 124 1 1 1 1 9 VAL MG1 . 9 VAL QG1 1 1 124 1 2 1 1 10 GLY H . 10 GLY H 1 1 125 1 1 1 1 9 VAL MG1 . 9 VAL QG1 1 1 125 1 2 1 1 12 GLY H . 12 GLY H 1 1 126 1 1 1 1 9 VAL MG1 . 9 VAL QG1 1 1 126 1 2 1 1 14 VAL H . 14 VAL H 1 1 127 1 1 1 1 9 VAL MG2 . 9 VAL QG2 1 1 127 1 2 1 1 10 GLY H . 10 GLY H 1 1 128 1 1 1 1 9 VAL MG2 . 9 VAL QG2 1 1 128 1 2 1 1 17 SER H . 17 SER H 1 1 129 1 1 1 1 10 GLY H . 10 GLY H 1 1 129 1 2 1 1 10 GLY QA . 10 GLY QA 1 1 130 1 1 1 1 10 GLY QA . 10 GLY QA 1 1 130 1 2 1 1 11 ALA MB . 11 ALA QB 1 1 131 1 1 1 1 11 ALA H . 11 ALA H 1 1 131 1 2 1 1 11 ALA MB . 11 ALA QB 1 1 132 1 1 1 1 11 ALA H . 11 ALA H 1 1 132 1 2 1 1 12 GLY H . 12 GLY H 1 1 133 1 1 1 1 11 ALA MB . 11 ALA QB 1 1 133 1 2 1 1 12 GLY H . 12 GLY H 1 1 134 1 1 1 1 11 ALA MB . 11 ALA QB 1 1 134 1 2 1 1 12 GLY QA . 12 GLY QA 1 1 135 1 1 1 1 11 ALA MB . 11 ALA QB 1 1 135 1 2 1 1 13 GLY H . 13 GLY H 1 1 136 1 1 1 1 12 GLY H . 12 GLY H 1 1 136 1 2 1 1 12 GLY QA . 12 GLY QA 1 1 137 1 1 1 1 12 GLY H . 12 GLY H 1 1 137 1 2 1 1 13 GLY H . 13 GLY H 1 1 138 1 1 1 1 12 GLY H . 12 GLY H 1 1 138 1 2 1 1 14 VAL H . 14 VAL H 1 1 139 1 1 1 1 13 GLY H . 13 GLY H 1 1 139 1 2 1 1 14 VAL H . 14 VAL H 1 1 140 1 1 1 1 13 GLY H . 13 GLY H 1 1 140 1 2 1 1 15 GLY H . 15 GLY H 1 1 141 1 1 1 1 13 GLY QA . 13 GLY QA 1 1 141 1 2 1 1 14 VAL H . 14 VAL H 1 1 142 1 1 1 1 14 VAL H . 14 VAL H 1 1 142 1 2 1 1 14 VAL HB . 14 VAL HB 1 1 143 1 1 1 1 14 VAL H . 14 VAL H 1 1 143 1 2 1 1 14 VAL MG2 . 14 VAL QG2 1 1 144 1 1 1 1 14 VAL H . 14 VAL H 1 1 144 1 2 1 1 15 GLY H . 15 GLY H 1 1 145 1 1 1 1 14 VAL HA . 14 VAL HA 1 1 145 1 2 1 1 14 VAL MG1 . 14 VAL QG1 1 1 146 1 1 1 1 14 VAL HA . 14 VAL HA 1 1 146 1 2 1 1 14 VAL MG2 . 14 VAL QG2 1 1 147 1 1 1 1 14 VAL HB . 14 VAL HB 1 1 147 1 2 1 1 15 GLY H . 15 GLY H 1 1 148 1 1 1 1 14 VAL MG1 . 14 VAL QG1 1 1 148 1 2 1 1 15 GLY H . 15 GLY H 1 1 149 1 1 1 1 15 GLY H . 15 GLY H 1 1 149 1 2 1 1 15 GLY HA2 . 15 GLY HA2 1 1 150 1 1 1 1 15 GLY H . 15 GLY H 1 1 150 1 2 1 1 16 LYS H . 16 LYS H 1 1 151 1 1 1 1 15 GLY H . 15 GLY H 1 1 151 1 2 1 1 17 SER H . 17 SER H 1 1 152 1 1 1 1 15 GLY H . 15 GLY H 1 1 152 1 2 1 1 18 HIS H . 18 HIS H 1 1 153 1 1 1 1 15 GLY HA2 . 15 GLY HA2 1 1 153 1 2 1 1 16 LYS H . 16 LYS H 1 1 154 1 1 1 1 16 LYS H . 16 LYS H 1 1 154 1 2 1 1 16 LYS HB2 . 16 LYS HB2 1 1 155 1 1 1 1 16 LYS H . 16 LYS H 1 1 155 1 2 1 1 16 LYS HB3 . 16 LYS HB3 1 1 156 1 1 1 1 16 LYS H . 16 LYS H 1 1 156 1 2 1 1 16 LYS HG2 . 16 LYS HG2 1 1 157 1 1 1 1 16 LYS H . 16 LYS H 1 1 157 1 2 1 1 16 LYS HG3 . 16 LYS HG3 1 1 158 1 1 1 1 16 LYS H . 16 LYS H 1 1 158 1 2 1 1 17 SER H . 17 SER H 1 1 159 1 1 1 1 16 LYS HA . 16 LYS HA 1 1 159 1 2 1 1 16 LYS QD . 16 LYS QD 1 1 160 1 1 1 1 16 LYS HB2 . 16 LYS HB2 1 1 160 1 2 1 1 17 SER H . 17 SER H 1 1 161 1 1 1 1 16 LYS HB2 . 16 LYS HB2 1 1 161 1 2 1 1 18 HIS H . 18 HIS H 1 1 162 1 1 1 1 16 LYS HB3 . 16 LYS HB3 1 1 162 1 2 1 1 17 SER H . 17 SER H 1 1 163 1 1 1 1 16 LYS HB3 . 16 LYS HB3 1 1 163 1 2 1 1 18 HIS H . 18 HIS H 1 1 164 1 1 1 1 16 LYS QD . 16 LYS QD 1 1 164 1 2 1 1 17 SER H . 17 SER H 1 1 165 1 1 1 1 16 LYS QE . 16 LYS QE 1 1 165 1 2 1 1 16 LYS HG2 . 16 LYS HG2 1 1 166 1 1 1 1 16 LYS QE . 16 LYS QE 1 1 166 1 2 1 1 17 SER H . 17 SER H 1 1 167 1 1 1 1 16 LYS HG2 . 16 LYS HG2 1 1 167 1 2 1 1 17 SER H . 17 SER H 1 1 168 1 1 1 1 17 SER H . 17 SER H 1 1 168 1 2 1 1 17 SER HA . 17 SER HA 1 1 169 1 1 1 1 17 SER H . 17 SER H 1 1 169 1 2 1 1 17 SER HB2 . 17 SER HB2 1 1 170 1 1 1 1 17 SER H . 17 SER H 1 1 170 1 2 1 1 17 SER HB3 . 17 SER HB3 1 1 171 1 1 1 1 17 SER H . 17 SER H 1 1 171 1 2 1 1 18 HIS H . 18 HIS H 1 1 172 1 1 1 1 18 HIS H . 18 HIS H 1 1 172 1 2 1 1 18 HIS HB2 . 18 HIS HB2 1 1 173 1 1 1 1 18 HIS H . 18 HIS H 1 1 173 1 2 1 1 18 HIS HB3 . 18 HIS HB3 1 1 174 1 1 1 1 18 HIS H . 18 HIS H 1 1 174 1 2 1 1 18 HIS HE1 . 18 HIS HE1 1 1 175 1 1 1 1 18 HIS H . 18 HIS H 1 1 175 1 2 1 1 19 VAL H . 19 VAL H 1 1 176 1 1 1 1 18 HIS HB2 . 18 HIS HB2 1 1 176 1 2 1 1 19 VAL H . 19 VAL H 1 1 177 1 1 1 1 18 HIS HB2 . 18 HIS HB2 1 1 177 1 2 1 1 20 TRP H . 20 TRP H 1 1 178 1 1 1 1 18 HIS HB3 . 18 HIS HB3 1 1 178 1 2 1 1 19 VAL H . 19 VAL H 1 1 179 1 1 1 1 19 VAL H . 19 VAL H 1 1 179 1 2 1 1 19 VAL HB . 19 VAL HB 1 1 180 1 1 1 1 19 VAL H . 19 VAL H 1 1 180 1 2 1 1 19 VAL MG1 . 19 VAL QG1 1 1 181 1 1 1 1 19 VAL H . 19 VAL H 1 1 181 1 2 1 1 19 VAL MG2 . 19 VAL QG2 1 1 182 1 1 1 1 19 VAL H . 19 VAL H 1 1 182 1 2 1 1 20 TRP H . 20 TRP H 1 1 183 1 1 1 1 19 VAL HA . 19 VAL HA 1 1 183 1 2 1 1 19 VAL MG1 . 19 VAL QG1 1 1 184 1 1 1 1 19 VAL HA . 19 VAL HA 1 1 184 1 2 1 1 19 VAL MG2 . 19 VAL QG2 1 1 185 1 1 1 1 19 VAL HA . 19 VAL HA 1 1 185 1 2 1 1 20 TRP HD1 . 20 TRP HD1 1 1 186 1 1 1 1 19 VAL HB . 19 VAL HB 1 1 186 1 2 1 1 20 TRP H . 20 TRP H 1 1 187 1 1 1 1 19 VAL HB . 19 VAL HB 1 1 187 1 2 1 1 20 TRP HD1 . 20 TRP HD1 1 1 188 1 1 1 1 19 VAL MG1 . 19 VAL QG1 1 1 188 1 2 1 1 20 TRP H . 20 TRP H 1 1 189 1 1 1 1 19 VAL MG1 . 19 VAL QG1 1 1 189 1 2 1 1 20 TRP HD1 . 20 TRP HD1 1 1 190 1 1 1 1 19 VAL MG2 . 19 VAL QG2 1 1 190 1 2 1 1 20 TRP HD1 . 20 TRP HD1 1 1 191 1 1 1 1 20 TRP H . 20 TRP H 1 1 191 1 2 1 1 20 TRP HB2 . 20 TRP HB2 1 1 192 1 1 1 1 20 TRP H . 20 TRP H 1 1 192 1 2 1 1 20 TRP HB3 . 20 TRP HB3 1 1 193 1 1 1 1 20 TRP H . 20 TRP H 1 1 193 1 2 1 1 20 TRP HD1 . 20 TRP HD1 1 1 194 1 1 1 1 20 TRP HB2 . 20 TRP HB2 1 1 194 1 2 1 1 20 TRP HD1 . 20 TRP HD1 1 1 195 1 1 1 1 20 TRP HB2 . 20 TRP HB2 1 1 195 1 2 1 1 20 TRP HE3 . 20 TRP HE3 1 1 196 1 1 1 1 20 TRP HB3 . 20 TRP HB3 1 1 196 1 2 1 1 20 TRP HE3 . 20 TRP HE3 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 . . . . . . . 3.16 1 1 2 1 . . . . . . . 3.16 1 1 3 1 . . . . . . . 4.32 1 1 4 1 . . . . . . . 3.16 1 1 5 1 . . . . . . . 4.53 1 1 6 1 . . . . . . . 2.98 1 1 7 1 . . . . . . . 3.16 1 1 8 1 . . . . . . . 2.99 1 1 9 1 . . . . . . . 5.08 1 1 10 1 . . . . . . . 3.5 1 1 11 1 . . . . . . . 4.68 1 1 12 1 . . . . . . . 4.31 1 1 13 1 . . . . . . . 4.93 1 1 14 1 . . . . . . . 4.06 1 1 15 1 . . . . . . . 5.45 1 1 16 1 . . . . . . . 4.8 1 1 17 1 . . . . . . . 4.45 1 1 18 1 . . . . . . . 4.07 1 1 19 1 . . . . . . . 5.03 1 1 20 1 . . . . . . . 3.8 1 1 21 1 . . . . . . . 4.69 1 1 22 1 . . . . . . . 2.92 1 1 23 1 . . . . . . . 2.96 1 1 24 1 . . . . . . . 2.8 1 1 25 1 . . . . . . . 4.76 1 1 26 1 . . . . . . . 4.4 1 1 27 1 . . . . . . . 2.88 1 1 28 1 . . . . . . . 4.82 1 1 29 1 . . . . . . . 4.48 1 1 30 1 . . . . . . . 4.44 1 1 31 1 . . . . . . . 5.5 1 1 32 1 . . . . . . . 3.0 1 1 33 1 . . . . . . . 3.15 1 1 34 1 . . . . . . . 3.69 1 1 35 1 . . . . . . . 4.44 1 1 36 1 . . . . . . . 4.7 1 1 37 1 . . . . . . . 3.5 1 1 38 1 . . . . . . . 3.4 1 1 39 1 . . . . . . . 3.4 1 1 40 1 . . . . . . . 3.79 1 1 41 1 . . . . . . . 4.2 1 1 42 1 . . . . . . . 3.87 1 1 43 1 . . . . . . . 2.72 1 1 44 1 . . . . . . . 3.5 1 1 45 1 . . . . . . . 5.5 1 1 46 1 . . . . . . . 4.83 1 1 47 1 . . . . . . . 4.34 1 1 48 1 . . . . . . . 3.58 1 1 49 1 . . . . . . . 3.55 1 1 50 1 . . . . . . . 3.68 1 1 51 1 . . . . . . . 4.47 1 1 52 1 . . . . . . . 4.92 1 1 53 1 . . . . . . . 4.52 1 1 54 1 . . . . . . . 4.14 1 1 55 1 . . . . . . . 3.85 1 1 56 1 . . . . . . . 4.73 1 1 57 1 . . . . . . . 4.97 1 1 58 1 . . . . . . . 4.87 1 1 59 1 . . . . . . . 5.5 1 1 60 1 . . . . . . . 4.79 1 1 61 1 . . . . . . . 4.7 1 1 62 1 . . . . . . . 4.54 1 1 63 1 . . . . . . . 4.7 1 1 64 1 . . . . . . . 4.47 1 1 65 1 . . . . . . . 5.5 1 1 66 1 . . . . . . . 2.92 1 1 67 1 . . . . . . . 2.5 1 1 68 1 . . . . . . . 3.5 1 1 69 1 . . . . . . . 4.1 1 1 70 1 . . . . . . . 3.11 1 1 71 1 . . . . . . . 4.17 1 1 72 1 . . . . . . . 3.51 1 1 73 1 . . . . . . . 3.73 1 1 74 1 . . . . . . . 3.5 1 1 75 1 . . . . . . . 4.02 1 1 76 1 . . . . . . . 5.27 1 1 77 1 . . . . . . . 3.44 1 1 78 1 . . . . . . . 3.46 1 1 79 1 . . . . . . . 4.92 1 1 80 1 . . . . . . . 4.6 1 1 81 1 . . . . . . . 3.34 1 1 82 1 . . . . . . . 3.69 1 1 83 1 . . . . . . . 3.36 1 1 84 1 . . . . . . . 2.93 1 1 85 1 . . . . . . . 3.9 1 1 86 1 . . . . . . . 3.78 1 1 87 1 . . . . . . . 3.5 1 1 88 1 . . . . . . . 4.2 1 1 89 1 . . . . . . . 3.18 1 1 90 1 . . . . . . . 3.0 1 1 91 1 . . . . . . . 3.92 1 1 92 1 . . . . . . . 3.11 1 1 93 1 . . . . . . . 2.94 1 1 94 1 . . . . . . . 2.92 1 1 95 1 . . . . . . . 3.44 1 1 96 1 . . . . . . . 5.21 1 1 97 1 . . . . . . . 4.45 1 1 98 1 . . . . . . . 3.98 1 1 99 1 . . . . . . . 2.99 1 1 100 1 . . . . . . . 3.4 1 1 101 1 . . . . . . . 2.89 1 1 102 1 . . . . . . . 2.8 1 1 103 1 . . . . . . . 2.72 1 1 104 1 . . . . . . . 2.79 1 1 105 1 . . . . . . . 2.41 1 1 106 1 . . . . . . . 2.8 1 1 107 1 . . . . . . . 4.4 1 1 108 1 . . . . . . . 2.52 1 1 109 1 . . . . . . . 4.31 1 1 110 1 . . . . . . . 3.66 1 1 111 1 . . . . . . . 2.89 1 1 112 1 . . . . . . . 3.13 1 1 113 1 . . . . . . . 3.76 1 1 114 1 . . . . . . . 5.24 1 1 115 1 . . . . . . . 4.22 1 1 116 1 . . . . . . . 4.17 1 1 117 1 . . . . . . . 2.85 1 1 118 1 . . . . . . . 4.15 1 1 119 1 . . . . . . . 2.64 1 1 120 1 . . . . . . . 2.93 1 1 121 1 . . . . . . . 2.84 1 1 122 1 . . . . . . . 3.78 1 1 123 1 . . . . . . . 3.09 1 1 124 1 . . . . . . . 4.11 1 1 125 1 . . . . . . . 4.33 1 1 126 1 . . . . . . . 5.0 1 1 127 1 . . . . . . . 3.79 1 1 128 1 . . . . . . . 5.05 1 1 129 1 . . . . . . . 2.4 1 1 130 1 . . . . . . . 4.34 1 1 131 1 . . . . . . . 2.5 1 1 132 1 . . . . . . . 3.01 1 1 133 1 . . . . . . . 3.01 1 1 134 1 . . . . . . . 3.72 1 1 135 1 . . . . . . . 4.95 1 1 136 1 . . . . . . . 2.55 1 1 137 1 . . . . . . . 2.79 1 1 138 1 . . . . . . . 4.68 1 1 139 1 . . . . . . . 3.11 1 1 140 1 . . . . . . . 5.24 1 1 141 1 . . . . . . . 2.55 1 1 142 1 . . . . . . . 2.72 1 1 143 1 . . . . . . . 2.72 1 1 144 1 . . . . . . . 3.02 1 1 145 1 . . . . . . . 3.65 1 1 146 1 . . . . . . . 3.06 1 1 147 1 . . . . . . . 3.21 1 1 148 1 . . . . . . . 4.05 1 1 149 1 . . . . . . . 2.55 1 1 150 1 . . . . . . . 2.89 1 1 151 1 . . . . . . . 4.12 1 1 152 1 . . . . . . . 4.84 1 1 153 1 . . . . . . . 3.09 1 1 154 1 . . . . . . . 2.82 1 1 155 1 . . . . . . . 3.83 1 1 156 1 . . . . . . . 3.34 1 1 157 1 . . . . . . . 3.83 1 1 158 1 . . . . . . . 2.85 1 1 159 1 . . . . . . . 4.98 1 1 160 1 . . . . . . . 3.43 1 1 161 1 . . . . . . . 4.94 1 1 162 1 . . . . . . . 3.78 1 1 163 1 . . . . . . . 5.42 1 1 164 1 . . . . . . . 4.87 1 1 165 1 . . . . . . . 3.8 1 1 166 1 . . . . . . . 5.03 1 1 167 1 . . . . . . . 4.07 1 1 168 1 . . . . . . . 2.93 1 1 169 1 . . . . . . . 3.0 1 1 170 1 . . . . . . . 2.98 1 1 171 1 . . . . . . . 3.03 1 1 172 1 . . . . . . . 3.22 1 1 173 1 . . . . . . . 3.74 1 1 174 1 . . . . . . . 4.6 1 1 175 1 . . . . . . . 3.05 1 1 176 1 . . . . . . . 3.6 1 1 177 1 . . . . . . . 5.5 1 1 178 1 . . . . . . . 4.01 1 1 179 1 . . . . . . . 2.98 1 1 180 1 . . . . . . . 4.07 1 1 181 1 . . . . . . . 3.07 1 1 182 1 . . . . . . . 3.21 1 1 183 1 . . . . . . . 3.56 1 1 184 1 . . . . . . . 3.5 1 1 185 1 . . . . . . . 5.5 1 1 186 1 . . . . . . . 3.3 1 1 187 1 . . . . . . . 4.56 1 1 188 1 . . . . . . . 3.69 1 1 189 1 . . . . . . . 4.51 1 1 190 1 . . . . . . . 4.53 1 1 191 1 . . . . . . . 3.16 1 1 192 1 . . . . . . . 3.81 1 1 193 1 . . . . . . . 3.68 1 1 194 1 . . . . . . . 3.3 1 1 195 1 . . . . . . . 4.13 1 1 196 1 . . . . . . . 3.5 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 MET C C 3.147 -1.103 -1.232 1.00 . A A . 1 MET C 1 1 1 2 1 1 1 MET CA C 2.093 -0.001 -1.242 1.00 . A A . 1 MET CA 1 1 1 3 1 1 1 MET CB C 2.761 1.359 -1.456 1.00 . A A . 1 MET CB 1 1 1 4 1 1 1 MET CE C 3.862 4.252 -2.833 1.00 . A A . 1 MET CE 1 1 1 5 1 1 1 MET CG C 3.376 1.524 -2.836 1.00 . A A . 1 MET CG 1 1 1 6 1 1 1 MET H1 H 1.808 0.000 0.855 1.00 . A A . 1 MET H1 1 1 1 7 1 1 1 MET HA H 1.405 -0.185 -2.054 1.00 . A A . 1 MET HA 1 1 1 8 1 1 1 MET HB2 H 2.024 2.135 -1.319 1.00 . A A . 1 MET HB2 1 1 1 9 1 1 1 MET HB3 H 3.543 1.482 -0.721 1.00 . A A . 1 MET HB3 1 1 1 10 1 1 1 MET HE1 H 4.504 5.035 -3.209 1.00 . A A . 1 MET HE1 1 1 1 11 1 1 1 MET HE2 H 2.985 4.175 -3.458 1.00 . A A . 1 MET HE2 1 1 1 12 1 1 1 MET HE3 H 3.563 4.485 -1.822 1.00 . A A . 1 MET HE3 1 1 1 13 1 1 1 MET HG2 H 3.739 0.564 -3.172 1.00 . A A . 1 MET HG2 1 1 1 14 1 1 1 MET HG3 H 2.613 1.875 -3.515 1.00 . A A . 1 MET HG3 1 1 1 15 1 1 1 MET N N 1.329 0.000 0.000 1.00 . A A . 1 MET N 1 1 1 16 1 1 1 MET O O 4.331 -0.847 -1.454 1.00 . A A . 1 MET O 1 1 1 17 1 1 1 MET SD S 4.747 2.695 -2.851 1.00 . A A . 1 MET SD 1 1 1 18 1 1 2 THR C C 3.261 -4.496 -2.001 1.00 . A A . 2 THR C 1 1 1 19 1 1 2 THR CA C 3.617 -3.472 -0.930 1.00 . A A . 2 THR CA 1 1 1 20 1 1 2 THR CB C 3.593 -4.159 0.449 1.00 . A A . 2 THR CB 1 1 1 21 1 1 2 THR CG2 C 2.251 -4.834 0.694 1.00 . A A . 2 THR CG2 1 1 1 22 1 1 2 THR H H 1.756 -2.472 -0.802 1.00 . A A . 2 THR H 1 1 1 23 1 1 2 THR HA H 4.618 -3.109 -1.111 1.00 . A A . 2 THR HA 1 1 1 24 1 1 2 THR HB H 3.746 -3.408 1.211 1.00 . A A . 2 THR HB 1 1 1 25 1 1 2 THR HG1 H 4.880 -5.267 1.451 1.00 . A A . 2 THR HG1 1 1 1 26 1 1 2 THR HG21 H 1.458 -4.114 0.561 1.00 . A A . 2 THR HG21 1 1 1 27 1 1 2 THR HG22 H 2.222 -5.220 1.702 1.00 . A A . 2 THR HG22 1 1 1 28 1 1 2 THR HG23 H 2.123 -5.645 -0.007 1.00 . A A . 2 THR HG23 1 1 1 29 1 1 2 THR N N 2.710 -2.331 -0.971 1.00 . A A . 2 THR N 1 1 1 30 1 1 2 THR O O 4.120 -5.241 -2.470 1.00 . A A . 2 THR O 1 1 1 31 1 1 2 THR OG1 O 4.643 -5.129 0.531 1.00 . A A . 2 THR OG1 1 1 1 32 1 1 3 GLU C C 0.260 -4.935 -4.084 1.00 . A A . 3 GLU C 1 1 1 33 1 1 3 GLU CA C 1.520 -5.460 -3.403 1.00 . A A . 3 GLU CA 1 1 1 34 1 1 3 GLU CB C 1.243 -6.830 -2.780 1.00 . A A . 3 GLU CB 1 1 1 35 1 1 3 GLU CD C 0.306 -9.154 -3.101 1.00 . A A . 3 GLU CD 1 1 1 36 1 1 3 GLU CG C 0.461 -7.764 -3.688 1.00 . A A . 3 GLU CG 1 1 1 37 1 1 3 GLU H H 1.350 -3.906 -1.975 1.00 . A A . 3 GLU H 1 1 1 38 1 1 3 GLU HA H 2.299 -5.562 -4.143 1.00 . A A . 3 GLU HA 1 1 1 39 1 1 3 GLU HB2 H 2.185 -7.300 -2.540 1.00 . A A . 3 GLU HB2 1 1 1 40 1 1 3 GLU HB3 H 0.679 -6.691 -1.870 1.00 . A A . 3 GLU HB3 1 1 1 41 1 1 3 GLU HG2 H -0.522 -7.347 -3.851 1.00 . A A . 3 GLU HG2 1 1 1 42 1 1 3 GLU HG3 H 0.978 -7.844 -4.633 1.00 . A A . 3 GLU HG3 1 1 1 43 1 1 3 GLU N N 1.988 -4.526 -2.385 1.00 . A A . 3 GLU N 1 1 1 44 1 1 3 GLU O O 0.269 -4.624 -5.276 1.00 . A A . 3 GLU O 1 1 1 45 1 1 3 GLU OE1 O 0.375 -9.286 -1.862 1.00 . A A . 3 GLU OE1 1 1 1 46 1 1 3 GLU OE2 O 0.115 -10.109 -3.883 1.00 . A A . 3 GLU OE2 1 1 1 47 1 1 4 TYR C C -2.441 -2.989 -3.265 1.00 . A A . 4 TYR C 1 1 1 48 1 1 4 TYR CA C -2.092 -4.354 -3.850 1.00 . A A . 4 TYR CA 1 1 1 49 1 1 4 TYR CB C -3.210 -5.353 -3.546 1.00 . A A . 4 TYR CB 1 1 1 50 1 1 4 TYR CD1 C -3.311 -5.208 -1.027 1.00 . A A . 4 TYR CD1 1 1 1 51 1 1 4 TYR CD2 C -2.819 -7.321 -2.013 1.00 . A A . 4 TYR CD2 1 1 1 52 1 1 4 TYR CE1 C -3.220 -5.769 0.232 1.00 . A A . 4 TYR CE1 1 1 1 53 1 1 4 TYR CE2 C -2.729 -7.892 -0.758 1.00 . A A . 4 TYR CE2 1 1 1 54 1 1 4 TYR CG C -3.111 -5.972 -2.170 1.00 . A A . 4 TYR CG 1 1 1 55 1 1 4 TYR CZ C -2.930 -7.111 0.361 1.00 . A A . 4 TYR CZ 1 1 1 56 1 1 4 TYR H H -0.768 -5.101 -2.378 1.00 . A A . 4 TYR H 1 1 1 57 1 1 4 TYR HA H -1.989 -4.259 -4.921 1.00 . A A . 4 TYR HA 1 1 1 58 1 1 4 TYR HB2 H -4.162 -4.849 -3.615 1.00 . A A . 4 TYR HB2 1 1 1 59 1 1 4 TYR HB3 H -3.177 -6.152 -4.272 1.00 . A A . 4 TYR HB3 1 1 1 60 1 1 4 TYR HD1 H -3.539 -4.157 -1.132 1.00 . A A . 4 TYR HD1 1 1 1 61 1 1 4 TYR HD2 H -2.662 -7.930 -2.892 1.00 . A A . 4 TYR HD2 1 1 1 62 1 1 4 TYR HE1 H -3.378 -5.159 1.109 1.00 . A A . 4 TYR HE1 1 1 1 63 1 1 4 TYR HE2 H -2.501 -8.942 -0.656 1.00 . A A . 4 TYR HE2 1 1 1 64 1 1 4 TYR HH H -2.896 -6.985 2.279 1.00 . A A . 4 TYR HH 1 1 1 65 1 1 4 TYR N N -0.823 -4.839 -3.320 1.00 . A A . 4 TYR N 1 1 1 66 1 1 4 TYR O O -3.214 -2.229 -3.849 1.00 . A A . 4 TYR O 1 1 1 67 1 1 4 TYR OH O -2.840 -7.674 1.614 1.00 . A A . 4 TYR OH 1 1 1 68 1 1 5 LYS C C -1.649 -0.245 -2.310 1.00 . A A . 5 LYS C 1 1 1 69 1 1 5 LYS CA C -2.111 -1.411 -1.442 1.00 . A A . 5 LYS CA 1 1 1 70 1 1 5 LYS CB C -1.394 -1.371 -0.091 1.00 . A A . 5 LYS CB 1 1 1 71 1 1 5 LYS CD C -1.167 -2.726 2.012 1.00 . A A . 5 LYS CD 1 1 1 72 1 1 5 LYS CE C -0.546 -1.669 2.912 1.00 . A A . 5 LYS CE 1 1 1 73 1 1 5 LYS CG C -2.131 -2.110 1.012 1.00 . A A . 5 LYS CG 1 1 1 74 1 1 5 LYS H H -1.258 -3.332 -1.691 1.00 . A A . 5 LYS H 1 1 1 75 1 1 5 LYS HA H -3.175 -1.322 -1.278 1.00 . A A . 5 LYS HA 1 1 1 76 1 1 5 LYS HB2 H -0.416 -1.816 -0.203 1.00 . A A . 5 LYS HB2 1 1 1 77 1 1 5 LYS HB3 H -1.278 -0.340 0.211 1.00 . A A . 5 LYS HB3 1 1 1 78 1 1 5 LYS HD2 H -1.702 -3.436 2.625 1.00 . A A . 5 LYS HD2 1 1 1 79 1 1 5 LYS HD3 H -0.380 -3.235 1.473 1.00 . A A . 5 LYS HD3 1 1 1 80 1 1 5 LYS HE2 H 0.433 -2.004 3.217 1.00 . A A . 5 LYS HE2 1 1 1 81 1 1 5 LYS HE3 H -0.454 -0.749 2.354 1.00 . A A . 5 LYS HE3 1 1 1 82 1 1 5 LYS HG2 H -2.775 -1.416 1.531 1.00 . A A . 5 LYS HG2 1 1 1 83 1 1 5 LYS HG3 H -2.728 -2.896 0.570 1.00 . A A . 5 LYS HG3 1 1 1 84 1 1 5 LYS HZ1 H -1.676 -0.425 4.153 1.00 . A A . 5 LYS HZ1 1 1 1 85 1 1 5 LYS HZ2 H -0.820 -1.626 4.982 1.00 . A A . 5 LYS HZ2 1 1 1 86 1 1 5 LYS HZ3 H -2.216 -2.028 4.115 1.00 . A A . 5 LYS HZ3 1 1 1 87 1 1 5 LYS N N -1.865 -2.684 -2.108 1.00 . A A . 5 LYS N 1 1 1 88 1 1 5 LYS NZ N -1.373 -1.419 4.125 1.00 . A A . 5 LYS NZ 1 1 1 89 1 1 5 LYS O O -2.051 0.900 -2.095 1.00 . A A . 5 LYS O 1 1 1 90 1 1 6 LEU C C -1.302 0.804 -5.288 1.00 . A A . 6 LEU C 1 1 1 91 1 1 6 LEU CA C -0.289 0.482 -4.193 1.00 . A A . 6 LEU CA 1 1 1 92 1 1 6 LEU CB C 1.028 0.021 -4.820 1.00 . A A . 6 LEU CB 1 1 1 93 1 1 6 LEU CD1 C 0.986 -0.986 -7.116 1.00 . A A . 6 LEU CD1 1 1 1 94 1 1 6 LEU CD2 C 2.126 -2.193 -5.245 1.00 . A A . 6 LEU CD2 1 1 1 95 1 1 6 LEU CG C 0.969 -1.279 -5.624 1.00 . A A . 6 LEU CG 1 1 1 96 1 1 6 LEU H H -0.521 -1.472 -3.413 1.00 . A A . 6 LEU H 1 1 1 97 1 1 6 LEU HA H -0.109 1.374 -3.613 1.00 . A A . 6 LEU HA 1 1 1 98 1 1 6 LEU HB2 H 1.371 0.802 -5.481 1.00 . A A . 6 LEU HB2 1 1 1 99 1 1 6 LEU HB3 H 1.744 -0.114 -4.022 1.00 . A A . 6 LEU HB3 1 1 1 100 1 1 6 LEU HD11 H 0.341 -0.146 -7.325 1.00 . A A . 6 LEU HD11 1 1 1 101 1 1 6 LEU HD12 H 0.636 -1.852 -7.657 1.00 . A A . 6 LEU HD12 1 1 1 102 1 1 6 LEU HD13 H 1.995 -0.752 -7.425 1.00 . A A . 6 LEU HD13 1 1 1 103 1 1 6 LEU HD21 H 2.114 -3.069 -5.876 1.00 . A A . 6 LEU HD21 1 1 1 104 1 1 6 LEU HD22 H 2.025 -2.491 -4.212 1.00 . A A . 6 LEU HD22 1 1 1 105 1 1 6 LEU HD23 H 3.059 -1.665 -5.377 1.00 . A A . 6 LEU HD23 1 1 1 106 1 1 6 LEU HG H 0.046 -1.795 -5.396 1.00 . A A . 6 LEU HG 1 1 1 107 1 1 6 LEU N N -0.805 -0.542 -3.291 1.00 . A A . 6 LEU N 1 1 1 108 1 1 6 LEU O O -1.199 1.829 -5.961 1.00 . A A . 6 LEU O 1 1 1 109 1 1 7 VAL C C -4.676 0.350 -5.824 1.00 . A A . 7 VAL C 1 1 1 110 1 1 7 VAL CA C -3.315 0.113 -6.468 1.00 . A A . 7 VAL CA 1 1 1 111 1 1 7 VAL CB C -3.411 -1.102 -7.411 1.00 . A A . 7 VAL CB 1 1 1 112 1 1 7 VAL CG1 C -4.518 -0.899 -8.433 1.00 . A A . 7 VAL CG1 1 1 1 113 1 1 7 VAL CG2 C -2.077 -1.347 -8.099 1.00 . A A . 7 VAL CG2 1 1 1 114 1 1 7 VAL H H -2.310 -0.877 -4.890 1.00 . A A . 7 VAL H 1 1 1 115 1 1 7 VAL HA H -3.050 0.979 -7.057 1.00 . A A . 7 VAL HA 1 1 1 116 1 1 7 VAL HB H -3.652 -1.973 -6.819 1.00 . A A . 7 VAL HB 1 1 1 117 1 1 7 VAL HG11 H -4.780 0.148 -8.477 1.00 . A A . 7 VAL HG11 1 1 1 118 1 1 7 VAL HG12 H -4.177 -1.226 -9.404 1.00 . A A . 7 VAL HG12 1 1 1 119 1 1 7 VAL HG13 H -5.386 -1.474 -8.143 1.00 . A A . 7 VAL HG13 1 1 1 120 1 1 7 VAL HG21 H -1.505 -2.066 -7.532 1.00 . A A . 7 VAL HG21 1 1 1 121 1 1 7 VAL HG22 H -2.251 -1.730 -9.094 1.00 . A A . 7 VAL HG22 1 1 1 122 1 1 7 VAL HG23 H -1.527 -0.419 -8.162 1.00 . A A . 7 VAL HG23 1 1 1 123 1 1 7 VAL N N -2.281 -0.079 -5.458 1.00 . A A . 7 VAL N 1 1 1 124 1 1 7 VAL O O -5.327 1.365 -6.077 1.00 . A A . 7 VAL O 1 1 1 125 1 1 8 VAL C C -6.413 0.721 -3.373 1.00 . A A . 8 VAL C 1 1 1 126 1 1 8 VAL CA C -6.385 -0.485 -4.305 1.00 . A A . 8 VAL CA 1 1 1 127 1 1 8 VAL CB C -6.696 -1.756 -3.492 1.00 . A A . 8 VAL CB 1 1 1 128 1 1 8 VAL CG1 C -8.024 -1.613 -2.765 1.00 . A A . 8 VAL CG1 1 1 1 129 1 1 8 VAL CG2 C -6.703 -2.978 -4.397 1.00 . A A . 8 VAL CG2 1 1 1 130 1 1 8 VAL H H -4.539 -1.377 -4.827 1.00 . A A . 8 VAL H 1 1 1 131 1 1 8 VAL HA H -7.154 -0.366 -5.055 1.00 . A A . 8 VAL HA 1 1 1 132 1 1 8 VAL HB H -5.919 -1.885 -2.753 1.00 . A A . 8 VAL HB 1 1 1 133 1 1 8 VAL HG11 H -8.630 -2.489 -2.946 1.00 . A A . 8 VAL HG11 1 1 1 134 1 1 8 VAL HG12 H -7.845 -1.511 -1.704 1.00 . A A . 8 VAL HG12 1 1 1 135 1 1 8 VAL HG13 H -8.541 -0.737 -3.128 1.00 . A A . 8 VAL HG13 1 1 1 136 1 1 8 VAL HG21 H -6.100 -3.757 -3.955 1.00 . A A . 8 VAL HG21 1 1 1 137 1 1 8 VAL HG22 H -7.717 -3.331 -4.517 1.00 . A A . 8 VAL HG22 1 1 1 138 1 1 8 VAL HG23 H -6.297 -2.714 -5.363 1.00 . A A . 8 VAL HG23 1 1 1 139 1 1 8 VAL N N -5.102 -0.592 -4.988 1.00 . A A . 8 VAL N 1 1 1 140 1 1 8 VAL O O -7.288 1.580 -3.477 1.00 . A A . 8 VAL O 1 1 1 141 1 1 9 VAL C C -4.624 3.072 -2.115 1.00 . A A . 9 VAL C 1 1 1 142 1 1 9 VAL CA C -5.360 1.881 -1.510 1.00 . A A . 9 VAL CA 1 1 1 143 1 1 9 VAL CB C -4.641 1.451 -0.217 1.00 . A A . 9 VAL CB 1 1 1 144 1 1 9 VAL CG1 C -4.749 2.539 0.840 1.00 . A A . 9 VAL CG1 1 1 1 145 1 1 9 VAL CG2 C -5.212 0.138 0.297 1.00 . A A . 9 VAL CG2 1 1 1 146 1 1 9 VAL H H -4.778 0.065 -2.427 1.00 . A A . 9 VAL H 1 1 1 147 1 1 9 VAL HA H -6.365 2.184 -1.255 1.00 . A A . 9 VAL HA 1 1 1 148 1 1 9 VAL HB H -3.596 1.302 -0.443 1.00 . A A . 9 VAL HB 1 1 1 149 1 1 9 VAL HG11 H -4.343 3.461 0.451 1.00 . A A . 9 VAL HG11 1 1 1 150 1 1 9 VAL HG12 H -5.786 2.684 1.104 1.00 . A A . 9 VAL HG12 1 1 1 151 1 1 9 VAL HG13 H -4.192 2.244 1.718 1.00 . A A . 9 VAL HG13 1 1 1 152 1 1 9 VAL HG21 H -5.101 -0.624 -0.461 1.00 . A A . 9 VAL HG21 1 1 1 153 1 1 9 VAL HG22 H -4.680 -0.160 1.188 1.00 . A A . 9 VAL HG22 1 1 1 154 1 1 9 VAL HG23 H -6.259 0.266 0.528 1.00 . A A . 9 VAL HG23 1 1 1 155 1 1 9 VAL N N -5.448 0.779 -2.461 1.00 . A A . 9 VAL N 1 1 1 156 1 1 9 VAL O O -4.827 4.214 -1.705 1.00 . A A . 9 VAL O 1 1 1 157 1 1 10 GLY C C -3.900 4.792 -4.539 1.00 . A A . 10 GLY C 1 1 1 158 1 1 10 GLY CA C -3.015 3.855 -3.742 1.00 . A A . 10 GLY CA 1 1 1 159 1 1 10 GLY H H -3.647 1.866 -3.381 1.00 . A A . 10 GLY H 1 1 1 160 1 1 10 GLY HA2 H -2.493 4.423 -2.987 1.00 . A A . 10 GLY HA2 1 1 1 161 1 1 10 GLY HA3 H -2.290 3.410 -4.408 1.00 . A A . 10 GLY HA3 1 1 1 162 1 1 10 GLY N N -3.768 2.796 -3.095 1.00 . A A . 10 GLY N 1 1 1 163 1 1 10 GLY O O -3.504 5.915 -4.850 1.00 . A A . 10 GLY O 1 1 1 164 1 1 11 ALA C C -6.994 5.893 -4.714 1.00 . A A . 11 ALA C 1 1 1 165 1 1 11 ALA CA C -6.044 5.136 -5.636 1.00 . A A . 11 ALA CA 1 1 1 166 1 1 11 ALA CB C -6.829 4.257 -6.599 1.00 . A A . 11 ALA CB 1 1 1 167 1 1 11 ALA H H -5.359 3.427 -4.594 1.00 . A A . 11 ALA H 1 1 1 168 1 1 11 ALA HA H -5.479 5.849 -6.219 1.00 . A A . 11 ALA HA 1 1 1 169 1 1 11 ALA HB1 H -6.317 4.218 -7.549 1.00 . A A . 11 ALA HB1 1 1 1 170 1 1 11 ALA HB2 H -6.910 3.260 -6.192 1.00 . A A . 11 ALA HB2 1 1 1 171 1 1 11 ALA HB3 H -7.817 4.670 -6.739 1.00 . A A . 11 ALA HB3 1 1 1 172 1 1 11 ALA N N -5.101 4.330 -4.871 1.00 . A A . 11 ALA N 1 1 1 173 1 1 11 ALA O O -7.423 7.003 -5.026 1.00 . A A . 11 ALA O 1 1 1 174 1 1 12 GLY C C -8.720 4.950 -1.575 1.00 . A A . 12 GLY C 1 1 1 175 1 1 12 GLY CA C -8.216 5.917 -2.628 1.00 . A A . 12 GLY CA 1 1 1 176 1 1 12 GLY H H -6.946 4.400 -3.382 1.00 . A A . 12 GLY H 1 1 1 177 1 1 12 GLY HA2 H -7.694 6.726 -2.139 1.00 . A A . 12 GLY HA2 1 1 1 178 1 1 12 GLY HA3 H -9.063 6.320 -3.164 1.00 . A A . 12 GLY HA3 1 1 1 179 1 1 12 GLY N N -7.319 5.285 -3.578 1.00 . A A . 12 GLY N 1 1 1 180 1 1 12 GLY O O -9.074 5.356 -0.469 1.00 . A A . 12 GLY O 1 1 1 181 1 1 13 GLY C C -10.534 2.032 -1.418 1.00 . A A . 13 GLY C 1 1 1 182 1 1 13 GLY CA C -9.223 2.660 -0.986 1.00 . A A . 13 GLY CA 1 1 1 183 1 1 13 GLY H H -8.461 3.401 -2.817 1.00 . A A . 13 GLY H 1 1 1 184 1 1 13 GLY HA2 H -8.475 1.886 -0.903 1.00 . A A . 13 GLY HA2 1 1 1 185 1 1 13 GLY HA3 H -9.360 3.119 -0.018 1.00 . A A . 13 GLY HA3 1 1 1 186 1 1 13 GLY N N -8.755 3.667 -1.920 1.00 . A A . 13 GLY N 1 1 1 187 1 1 13 GLY O O -11.597 2.383 -0.907 1.00 . A A . 13 GLY O 1 1 1 188 1 1 14 VAL C C -12.230 -0.516 -1.815 1.00 . A A . 14 VAL C 1 1 1 189 1 1 14 VAL CA C -11.648 0.423 -2.866 1.00 . A A . 14 VAL CA 1 1 1 190 1 1 14 VAL CB C -11.338 -0.382 -4.142 1.00 . A A . 14 VAL CB 1 1 1 191 1 1 14 VAL CG1 C -12.589 -1.088 -4.645 1.00 . A A . 14 VAL CG1 1 1 1 192 1 1 14 VAL CG2 C -10.760 0.526 -5.217 1.00 . A A . 14 VAL CG2 1 1 1 193 1 1 14 VAL H H -9.582 0.864 -2.732 1.00 . A A . 14 VAL H 1 1 1 194 1 1 14 VAL HA H -12.383 1.175 -3.109 1.00 . A A . 14 VAL HA 1 1 1 195 1 1 14 VAL HB H -10.601 -1.133 -3.900 1.00 . A A . 14 VAL HB 1 1 1 196 1 1 14 VAL HG11 H -13.464 -0.606 -4.233 1.00 . A A . 14 VAL HG11 1 1 1 197 1 1 14 VAL HG12 H -12.622 -1.037 -5.723 1.00 . A A . 14 VAL HG12 1 1 1 198 1 1 14 VAL HG13 H -12.568 -2.122 -4.333 1.00 . A A . 14 VAL HG13 1 1 1 199 1 1 14 VAL HG21 H -10.725 -0.004 -6.157 1.00 . A A . 14 VAL HG21 1 1 1 200 1 1 14 VAL HG22 H -11.383 1.402 -5.320 1.00 . A A . 14 VAL HG22 1 1 1 201 1 1 14 VAL HG23 H -9.761 0.826 -4.936 1.00 . A A . 14 VAL HG23 1 1 1 202 1 1 14 VAL N N -10.458 1.101 -2.364 1.00 . A A . 14 VAL N 1 1 1 203 1 1 14 VAL O O -13.447 -0.642 -1.686 1.00 . A A . 14 VAL O 1 1 1 204 1 1 15 GLY C C -11.456 -3.534 -0.355 1.00 . A A . 15 GLY C 1 1 1 205 1 1 15 GLY CA C -11.796 -2.092 -0.033 1.00 . A A . 15 GLY CA 1 1 1 206 1 1 15 GLY H H -10.392 -1.033 -1.212 1.00 . A A . 15 GLY H 1 1 1 207 1 1 15 GLY HA2 H -11.328 -1.823 0.901 1.00 . A A . 15 GLY HA2 1 1 1 208 1 1 15 GLY HA3 H -12.867 -2.003 0.074 1.00 . A A . 15 GLY HA3 1 1 1 209 1 1 15 GLY N N -11.351 -1.173 -1.064 1.00 . A A . 15 GLY N 1 1 1 210 1 1 15 GLY O O -12.090 -4.459 0.153 1.00 . A A . 15 GLY O 1 1 1 211 1 1 16 LYS C C -9.018 -5.630 -0.598 1.00 . A A . 16 LYS C 1 1 1 212 1 1 16 LYS CA C -10.027 -5.067 -1.594 1.00 . A A . 16 LYS CA 1 1 1 213 1 1 16 LYS CB C -9.415 -5.041 -2.997 1.00 . A A . 16 LYS CB 1 1 1 214 1 1 16 LYS CD C -11.667 -5.103 -4.107 1.00 . A A . 16 LYS CD 1 1 1 215 1 1 16 LYS CE C -11.523 -6.569 -4.488 1.00 . A A . 16 LYS CE 1 1 1 216 1 1 16 LYS CG C -10.317 -4.409 -4.042 1.00 . A A . 16 LYS CG 1 1 1 217 1 1 16 LYS H H -9.984 -2.950 -1.576 1.00 . A A . 16 LYS H 1 1 1 218 1 1 16 LYS HA H -10.899 -5.702 -1.602 1.00 . A A . 16 LYS HA 1 1 1 219 1 1 16 LYS HB2 H -8.491 -4.483 -2.963 1.00 . A A . 16 LYS HB2 1 1 1 220 1 1 16 LYS HB3 H -9.202 -6.056 -3.302 1.00 . A A . 16 LYS HB3 1 1 1 221 1 1 16 LYS HD2 H -12.142 -5.040 -3.139 1.00 . A A . 16 LYS HD2 1 1 1 222 1 1 16 LYS HD3 H -12.282 -4.607 -4.845 1.00 . A A . 16 LYS HD3 1 1 1 223 1 1 16 LYS HE2 H -11.021 -6.632 -5.441 1.00 . A A . 16 LYS HE2 1 1 1 224 1 1 16 LYS HE3 H -10.929 -7.066 -3.735 1.00 . A A . 16 LYS HE3 1 1 1 225 1 1 16 LYS HG2 H -10.471 -3.370 -3.792 1.00 . A A . 16 LYS HG2 1 1 1 226 1 1 16 LYS HG3 H -9.839 -4.482 -5.009 1.00 . A A . 16 LYS HG3 1 1 1 227 1 1 16 LYS HZ1 H -12.719 -8.224 -4.927 1.00 . A A . 16 LYS HZ1 1 1 1 228 1 1 16 LYS HZ2 H -13.458 -6.738 -5.256 1.00 . A A . 16 LYS HZ2 1 1 1 229 1 1 16 LYS HZ3 H -13.306 -7.271 -3.658 1.00 . A A . 16 LYS HZ3 1 1 1 230 1 1 16 LYS N N -10.451 -3.728 -1.204 1.00 . A A . 16 LYS N 1 1 1 231 1 1 16 LYS NZ N -12.844 -7.248 -4.589 1.00 . A A . 16 LYS NZ 1 1 1 232 1 1 16 LYS O O -9.150 -6.765 -0.140 1.00 . A A . 16 LYS O 1 1 1 233 1 1 17 SER C C -7.599 -5.769 1.967 1.00 . A A . 17 SER C 1 1 1 234 1 1 17 SER CA C -6.978 -5.248 0.674 1.00 . A A . 17 SER CA 1 1 1 235 1 1 17 SER CB C -6.035 -4.083 0.982 1.00 . A A . 17 SER CB 1 1 1 236 1 1 17 SER H H -7.960 -3.934 -0.665 1.00 . A A . 17 SER H 1 1 1 237 1 1 17 SER HA H -6.414 -6.045 0.213 1.00 . A A . 17 SER HA 1 1 1 238 1 1 17 SER HB2 H -5.270 -4.032 0.221 1.00 . A A . 17 SER HB2 1 1 1 239 1 1 17 SER HB3 H -6.597 -3.161 0.989 1.00 . A A . 17 SER HB3 1 1 1 240 1 1 17 SER HG H -5.231 -3.389 2.628 1.00 . A A . 17 SER HG 1 1 1 241 1 1 17 SER N N -8.011 -4.828 -0.266 1.00 . A A . 17 SER N 1 1 1 242 1 1 17 SER O O -7.036 -6.636 2.634 1.00 . A A . 17 SER O 1 1 1 243 1 1 17 SER OG O -5.413 -4.250 2.244 1.00 . A A . 17 SER OG 1 1 1 244 1 1 18 HIS C C -9.620 -7.159 3.577 1.00 . A A . 18 HIS C 1 1 1 245 1 1 18 HIS CA C -9.465 -5.642 3.526 1.00 . A A . 18 HIS CA 1 1 1 246 1 1 18 HIS CB C -10.838 -4.975 3.598 1.00 . A A . 18 HIS CB 1 1 1 247 1 1 18 HIS CD2 C -11.564 -2.745 4.706 1.00 . A A . 18 HIS CD2 1 1 1 248 1 1 18 HIS CE1 C -10.019 -1.445 3.852 1.00 . A A . 18 HIS CE1 1 1 1 249 1 1 18 HIS CG C -10.777 -3.512 3.916 1.00 . A A . 18 HIS CG 1 1 1 250 1 1 18 HIS H H -9.164 -4.545 1.741 1.00 . A A . 18 HIS H 1 1 1 251 1 1 18 HIS HA H -8.875 -5.325 4.373 1.00 . A A . 18 HIS HA 1 1 1 252 1 1 18 HIS HB2 H -11.336 -5.086 2.646 1.00 . A A . 18 HIS HB2 1 1 1 253 1 1 18 HIS HB3 H -11.427 -5.458 4.365 1.00 . A A . 18 HIS HB3 1 1 1 254 1 1 18 HIS HD1 H -9.100 -2.927 2.783 1.00 . A A . 18 HIS HD1 1 1 1 255 1 1 18 HIS HD2 H -12.420 -3.077 5.277 1.00 . A A . 18 HIS HD2 1 1 1 256 1 1 18 HIS HE1 H -9.423 -0.576 3.615 1.00 . A A . 18 HIS HE1 1 1 1 257 1 1 18 HIS N N -8.765 -5.232 2.314 1.00 . A A . 18 HIS N 1 1 1 258 1 1 18 HIS ND1 N -9.820 -2.668 3.395 1.00 . A A . 18 HIS ND1 1 1 1 259 1 1 18 HIS NE2 N -11.071 -1.464 4.650 1.00 . A A . 18 HIS NE2 1 1 1 260 1 1 18 HIS O O -9.655 -7.755 4.654 1.00 . A A . 18 HIS O 1 1 1 261 1 1 19 VAL C C -8.568 -9.939 2.679 1.00 . A A . 19 VAL C 1 1 1 262 1 1 19 VAL CA C -9.866 -9.227 2.315 1.00 . A A . 19 VAL CA 1 1 1 263 1 1 19 VAL CB C -10.297 -9.660 0.901 1.00 . A A . 19 VAL CB 1 1 1 264 1 1 19 VAL CG1 C -10.441 -11.172 0.827 1.00 . A A . 19 VAL CG1 1 1 1 265 1 1 19 VAL CG2 C -11.595 -8.972 0.506 1.00 . A A . 19 VAL CG2 1 1 1 266 1 1 19 VAL H H -9.680 -7.251 1.580 1.00 . A A . 19 VAL H 1 1 1 267 1 1 19 VAL HA H -10.636 -9.525 3.011 1.00 . A A . 19 VAL HA 1 1 1 268 1 1 19 VAL HB H -9.528 -9.359 0.205 1.00 . A A . 19 VAL HB 1 1 1 269 1 1 19 VAL HG11 H -10.786 -11.548 1.779 1.00 . A A . 19 VAL HG11 1 1 1 270 1 1 19 VAL HG12 H -11.155 -11.428 0.058 1.00 . A A . 19 VAL HG12 1 1 1 271 1 1 19 VAL HG13 H -9.484 -11.614 0.591 1.00 . A A . 19 VAL HG13 1 1 1 272 1 1 19 VAL HG21 H -11.376 -7.995 0.101 1.00 . A A . 19 VAL HG21 1 1 1 273 1 1 19 VAL HG22 H -12.104 -9.565 -0.238 1.00 . A A . 19 VAL HG22 1 1 1 274 1 1 19 VAL HG23 H -12.227 -8.867 1.377 1.00 . A A . 19 VAL HG23 1 1 1 275 1 1 19 VAL N N -9.714 -7.779 2.405 1.00 . A A . 19 VAL N 1 1 1 276 1 1 19 VAL O O -8.584 -10.997 3.308 1.00 . A A . 19 VAL O 1 1 1 277 1 1 20 TRP C C -5.481 -9.233 3.753 1.00 . A A . 20 TRP C 1 1 1 278 1 1 20 TRP CA C -6.137 -9.929 2.566 1.00 . A A . 20 TRP CA 1 1 1 279 1 1 20 TRP CB C -5.233 -9.828 1.336 1.00 . A A . 20 TRP CB 1 1 1 280 1 1 20 TRP CD1 C -6.489 -10.373 -0.830 1.00 . A A . 20 TRP CD1 1 1 1 281 1 1 20 TRP CD2 C -5.300 -12.080 -0.001 1.00 . A A . 20 TRP CD2 1 1 1 282 1 1 20 TRP CE2 C -5.937 -12.508 -1.182 1.00 . A A . 20 TRP CE2 1 1 1 283 1 1 20 TRP CE3 C -4.495 -12.985 0.696 1.00 . A A . 20 TRP CE3 1 1 1 284 1 1 20 TRP CG C -5.666 -10.711 0.206 1.00 . A A . 20 TRP CG 1 1 1 285 1 1 20 TRP CH2 C -4.999 -14.666 -0.976 1.00 . A A . 20 TRP CH2 1 1 1 286 1 1 20 TRP CZ2 C -5.794 -13.801 -1.679 1.00 . A A . 20 TRP CZ2 1 1 1 287 1 1 20 TRP CZ3 C -4.354 -14.268 0.202 1.00 . A A . 20 TRP CZ3 1 1 1 288 1 1 20 TRP H H -7.497 -8.508 1.783 1.00 . A A . 20 TRP H 1 1 1 289 1 1 20 TRP HA H -6.282 -10.971 2.810 1.00 . A A . 20 TRP HA 1 1 1 290 1 1 20 TRP HB2 H -5.232 -8.808 0.981 1.00 . A A . 20 TRP HB2 1 1 1 291 1 1 20 TRP HB3 H -4.228 -10.109 1.614 1.00 . A A . 20 TRP HB3 1 1 1 292 1 1 20 TRP HD1 H -6.937 -9.399 -0.958 1.00 . A A . 20 TRP HD1 1 1 1 293 1 1 20 TRP HE1 H -7.202 -11.455 -2.483 1.00 . A A . 20 TRP HE1 1 1 1 294 1 1 20 TRP HE3 H -3.989 -12.697 1.606 1.00 . A A . 20 TRP HE3 1 1 1 295 1 1 20 TRP HH2 H -4.861 -15.678 -1.325 1.00 . A A . 20 TRP HH2 1 1 1 296 1 1 20 TRP HZ2 H -6.284 -14.123 -2.586 1.00 . A A . 20 TRP HZ2 1 1 1 297 1 1 20 TRP HZ3 H -3.736 -14.981 0.727 1.00 . A A . 20 TRP HZ3 1 1 1 298 1 1 20 TRP N N -7.445 -9.351 2.281 1.00 . A A . 20 TRP N 1 1 1 299 1 1 20 TRP NE1 N -6.657 -11.449 -1.668 1.00 . A A . 20 TRP NE1 1 1 1 300 1 1 20 TRP O O -4.320 -8.829 3.685 1.00 . A A . 20 TRP O 1 1 2 301 1 1 1 MET C C 3.160 -0.828 -1.248 1.00 . A A . 1 MET C 1 1 2 302 1 1 1 MET CA C 2.054 0.222 -1.247 1.00 . A A . 1 MET CA 1 1 2 303 1 1 1 MET CB C 2.650 1.607 -1.510 1.00 . A A . 1 MET CB 1 1 2 304 1 1 1 MET CE C 5.979 1.880 -3.180 1.00 . A A . 1 MET CE 1 1 2 305 1 1 1 MET CG C 3.223 1.766 -2.909 1.00 . A A . 1 MET CG 1 1 2 306 1 1 1 MET H1 H 1.827 0.354 0.853 1.00 . A A . 1 MET H1 1 1 2 307 1 1 1 MET HA H 1.350 -0.012 -2.031 1.00 . A A . 1 MET HA 1 1 2 308 1 1 1 MET HB2 H 1.878 2.349 -1.374 1.00 . A A . 1 MET HB2 1 1 2 309 1 1 1 MET HB3 H 3.441 1.787 -0.798 1.00 . A A . 1 MET HB3 1 1 2 310 1 1 1 MET HE1 H 5.891 1.347 -4.116 1.00 . A A . 1 MET HE1 1 1 2 311 1 1 1 MET HE2 H 6.886 2.465 -3.183 1.00 . A A . 1 MET HE2 1 1 2 312 1 1 1 MET HE3 H 6.009 1.173 -2.364 1.00 . A A . 1 MET HE3 1 1 2 313 1 1 1 MET HG2 H 3.596 0.809 -3.242 1.00 . A A . 1 MET HG2 1 1 2 314 1 1 1 MET HG3 H 2.434 2.092 -3.571 1.00 . A A . 1 MET HG3 1 1 2 315 1 1 1 MET N N 1.331 0.215 0.020 1.00 . A A . 1 MET N 1 1 2 316 1 1 1 MET O O 4.324 -0.520 -1.505 1.00 . A A . 1 MET O 1 1 2 317 1 1 1 MET SD S 4.568 2.964 -2.977 1.00 . A A . 1 MET SD 1 1 2 318 1 1 2 THR C C 3.413 -4.226 -1.970 1.00 . A A . 2 THR C 1 1 2 319 1 1 2 THR CA C 3.750 -3.168 -0.926 1.00 . A A . 2 THR CA 1 1 2 320 1 1 2 THR CB C 3.797 -3.831 0.463 1.00 . A A . 2 THR CB 1 1 2 321 1 1 2 THR CG2 C 2.497 -4.563 0.758 1.00 . A A . 2 THR CG2 1 1 2 322 1 1 2 THR H H 1.847 -2.255 -0.764 1.00 . A A . 2 THR H 1 1 2 323 1 1 2 THR HA H 4.727 -2.761 -1.142 1.00 . A A . 2 THR HA 1 1 2 324 1 1 2 THR HB H 3.936 -3.060 1.208 1.00 . A A . 2 THR HB 1 1 2 325 1 1 2 THR HG1 H 5.411 -4.573 1.321 1.00 . A A . 2 THR HG1 1 1 2 326 1 1 2 THR HG21 H 1.667 -3.882 0.643 1.00 . A A . 2 THR HG21 1 1 2 327 1 1 2 THR HG22 H 2.516 -4.937 1.771 1.00 . A A . 2 THR HG22 1 1 2 328 1 1 2 THR HG23 H 2.385 -5.388 0.071 1.00 . A A . 2 THR HG23 1 1 2 329 1 1 2 THR N N 2.789 -2.072 -0.960 1.00 . A A . 2 THR N 1 1 2 330 1 1 2 THR O O 4.296 -4.926 -2.464 1.00 . A A . 2 THR O 1 1 2 331 1 1 2 THR OG1 O 4.894 -4.749 0.531 1.00 . A A . 2 THR OG1 1 1 2 332 1 1 3 GLU C C 0.378 -4.857 -3.946 1.00 . A A . 3 GLU C 1 1 2 333 1 1 3 GLU CA C 1.678 -5.311 -3.289 1.00 . A A . 3 GLU CA 1 1 2 334 1 1 3 GLU CB C 1.481 -6.679 -2.633 1.00 . A A . 3 GLU CB 1 1 2 335 1 1 3 GLU CD C 0.678 -9.059 -2.905 1.00 . A A . 3 GLU CD 1 1 2 336 1 1 3 GLU CG C 0.716 -7.665 -3.501 1.00 . A A . 3 GLU CG 1 1 2 337 1 1 3 GLU H H 1.473 -3.750 -1.874 1.00 . A A . 3 GLU H 1 1 2 338 1 1 3 GLU HA H 2.442 -5.393 -4.048 1.00 . A A . 3 GLU HA 1 1 2 339 1 1 3 GLU HB2 H 2.450 -7.102 -2.411 1.00 . A A . 3 GLU HB2 1 1 2 340 1 1 3 GLU HB3 H 0.936 -6.547 -1.710 1.00 . A A . 3 GLU HB3 1 1 2 341 1 1 3 GLU HG2 H -0.297 -7.312 -3.617 1.00 . A A . 3 GLU HG2 1 1 2 342 1 1 3 GLU HG3 H 1.192 -7.716 -4.469 1.00 . A A . 3 GLU HG3 1 1 2 343 1 1 3 GLU N N 2.130 -4.337 -2.302 1.00 . A A . 3 GLU N 1 1 2 344 1 1 3 GLU O O 0.340 -4.575 -5.144 1.00 . A A . 3 GLU O 1 1 2 345 1 1 3 GLU OE1 O 1.441 -9.316 -1.949 1.00 . A A . 3 GLU OE1 1 1 2 346 1 1 3 GLU OE2 O -0.113 -9.892 -3.394 1.00 . A A . 3 GLU OE2 1 1 2 347 1 1 4 TYR C C -2.382 -3.012 -3.091 1.00 . A A . 4 TYR C 1 1 2 348 1 1 4 TYR CA C -1.989 -4.373 -3.657 1.00 . A A . 4 TYR CA 1 1 2 349 1 1 4 TYR CB C -3.053 -5.412 -3.300 1.00 . A A . 4 TYR CB 1 1 2 350 1 1 4 TYR CD1 C -3.090 -5.216 -0.783 1.00 . A A . 4 TYR CD1 1 1 2 351 1 1 4 TYR CD2 C -2.535 -7.328 -1.738 1.00 . A A . 4 TYR CD2 1 1 2 352 1 1 4 TYR CE1 C -2.941 -5.744 0.484 1.00 . A A . 4 TYR CE1 1 1 2 353 1 1 4 TYR CE2 C -2.385 -7.865 -0.475 1.00 . A A . 4 TYR CE2 1 1 2 354 1 1 4 TYR CG C -2.890 -5.996 -1.915 1.00 . A A . 4 TYR CG 1 1 2 355 1 1 4 TYR CZ C -2.589 -7.069 0.634 1.00 . A A . 4 TYR CZ 1 1 2 356 1 1 4 TYR H H -0.593 -5.027 -2.207 1.00 . A A . 4 TYR H 1 1 2 357 1 1 4 TYR HA H -1.920 -4.297 -4.732 1.00 . A A . 4 TYR HA 1 1 2 358 1 1 4 TYR HB2 H -4.028 -4.953 -3.353 1.00 . A A . 4 TYR HB2 1 1 2 359 1 1 4 TYR HB3 H -3.005 -6.225 -4.011 1.00 . A A . 4 TYR HB3 1 1 2 360 1 1 4 TYR HD1 H -3.367 -4.178 -0.904 1.00 . A A . 4 TYR HD1 1 1 2 361 1 1 4 TYR HD2 H -2.376 -7.948 -2.608 1.00 . A A . 4 TYR HD2 1 1 2 362 1 1 4 TYR HE1 H -3.101 -5.121 1.352 1.00 . A A . 4 TYR HE1 1 1 2 363 1 1 4 TYR HE2 H -2.109 -8.903 -0.357 1.00 . A A . 4 TYR HE2 1 1 2 364 1 1 4 TYR HH H -2.018 -6.954 2.466 1.00 . A A . 4 TYR HH 1 1 2 365 1 1 4 TYR N N -0.686 -4.789 -3.153 1.00 . A A . 4 TYR N 1 1 2 366 1 1 4 TYR O O -3.204 -2.300 -3.669 1.00 . A A . 4 TYR O 1 1 2 367 1 1 4 TYR OH O -2.441 -7.600 1.894 1.00 . A A . 4 TYR OH 1 1 2 368 1 1 5 LYS C C -1.680 -0.214 -2.215 1.00 . A A . 5 LYS C 1 1 2 369 1 1 5 LYS CA C -2.073 -1.379 -1.312 1.00 . A A . 5 LYS CA 1 1 2 370 1 1 5 LYS CB C -1.326 -1.281 0.020 1.00 . A A . 5 LYS CB 1 1 2 371 1 1 5 LYS CD C -0.900 -2.630 2.096 1.00 . A A . 5 LYS CD 1 1 2 372 1 1 5 LYS CE C -0.641 -1.643 3.224 1.00 . A A . 5 LYS CE 1 1 2 373 1 1 5 LYS CG C -1.951 -2.108 1.130 1.00 . A A . 5 LYS CG 1 1 2 374 1 1 5 LYS H H -1.141 -3.266 -1.545 1.00 . A A . 5 LYS H 1 1 2 375 1 1 5 LYS HA H -3.135 -1.332 -1.125 1.00 . A A . 5 LYS HA 1 1 2 376 1 1 5 LYS HB2 H -0.311 -1.618 -0.124 1.00 . A A . 5 LYS HB2 1 1 2 377 1 1 5 LYS HB3 H -1.312 -0.247 0.335 1.00 . A A . 5 LYS HB3 1 1 2 378 1 1 5 LYS HD2 H -1.244 -3.562 2.520 1.00 . A A . 5 LYS HD2 1 1 2 379 1 1 5 LYS HD3 H 0.022 -2.796 1.556 1.00 . A A . 5 LYS HD3 1 1 2 380 1 1 5 LYS HE2 H -1.566 -1.141 3.465 1.00 . A A . 5 LYS HE2 1 1 2 381 1 1 5 LYS HE3 H -0.292 -2.188 4.088 1.00 . A A . 5 LYS HE3 1 1 2 382 1 1 5 LYS HG2 H -2.651 -1.493 1.675 1.00 . A A . 5 LYS HG2 1 1 2 383 1 1 5 LYS HG3 H -2.472 -2.948 0.691 1.00 . A A . 5 LYS HG3 1 1 2 384 1 1 5 LYS HZ1 H -0.081 0.194 2.403 1.00 . A A . 5 LYS HZ1 1 1 2 385 1 1 5 LYS HZ2 H 1.060 -1.034 2.176 1.00 . A A . 5 LYS HZ2 1 1 2 386 1 1 5 LYS HZ3 H 0.893 -0.305 3.693 1.00 . A A . 5 LYS HZ3 1 1 2 387 1 1 5 LYS N N -1.788 -2.656 -1.958 1.00 . A A . 5 LYS N 1 1 2 388 1 1 5 LYS NZ N 0.379 -0.625 2.848 1.00 . A A . 5 LYS NZ 1 1 2 389 1 1 5 LYS O O -2.119 0.919 -2.009 1.00 . A A . 5 LYS O 1 1 2 390 1 1 6 LEU C C -1.451 0.776 -5.230 1.00 . A A . 6 LEU C 1 1 2 391 1 1 6 LEU CA C -0.403 0.526 -4.150 1.00 . A A . 6 LEU CA 1 1 2 392 1 1 6 LEU CB C 0.921 0.110 -4.794 1.00 . A A . 6 LEU CB 1 1 2 393 1 1 6 LEU CD1 C 0.840 -0.912 -7.081 1.00 . A A . 6 LEU CD1 1 1 2 394 1 1 6 LEU CD2 C 2.118 -2.044 -5.253 1.00 . A A . 6 LEU CD2 1 1 2 395 1 1 6 LEU CG C 0.899 -1.196 -5.588 1.00 . A A . 6 LEU CG 1 1 2 396 1 1 6 LEU H H -0.538 -1.419 -3.327 1.00 . A A . 6 LEU H 1 1 2 397 1 1 6 LEU HA H -0.252 1.439 -3.594 1.00 . A A . 6 LEU HA 1 1 2 398 1 1 6 LEU HB2 H 1.225 0.900 -5.464 1.00 . A A . 6 LEU HB2 1 1 2 399 1 1 6 LEU HB3 H 1.653 0.008 -4.006 1.00 . A A . 6 LEU HB3 1 1 2 400 1 1 6 LEU HD11 H 0.144 -0.108 -7.267 1.00 . A A . 6 LEU HD11 1 1 2 401 1 1 6 LEU HD12 H 0.514 -1.799 -7.604 1.00 . A A . 6 LEU HD12 1 1 2 402 1 1 6 LEU HD13 H 1.821 -0.628 -7.433 1.00 . A A . 6 LEU HD13 1 1 2 403 1 1 6 LEU HD21 H 2.947 -1.400 -5.001 1.00 . A A . 6 LEU HD21 1 1 2 404 1 1 6 LEU HD22 H 2.379 -2.651 -6.107 1.00 . A A . 6 LEU HD22 1 1 2 405 1 1 6 LEU HD23 H 1.890 -2.684 -4.413 1.00 . A A . 6 LEU HD23 1 1 2 406 1 1 6 LEU HG H 0.015 -1.758 -5.321 1.00 . A A . 6 LEU HG 1 1 2 407 1 1 6 LEU N N -0.853 -0.498 -3.214 1.00 . A A . 6 LEU N 1 1 2 408 1 1 6 LEU O O -1.400 1.783 -5.937 1.00 . A A . 6 LEU O 1 1 2 409 1 1 7 VAL C C -4.820 0.167 -5.672 1.00 . A A . 7 VAL C 1 1 2 410 1 1 7 VAL CA C -3.463 -0.023 -6.341 1.00 . A A . 7 VAL CA 1 1 2 411 1 1 7 VAL CB C -3.523 -1.262 -7.254 1.00 . A A . 7 VAL CB 1 1 2 412 1 1 7 VAL CG1 C -4.657 -1.130 -8.260 1.00 . A A . 7 VAL CG1 1 1 2 413 1 1 7 VAL CG2 C -2.192 -1.467 -7.962 1.00 . A A . 7 VAL CG2 1 1 2 414 1 1 7 VAL H H -2.388 -0.925 -4.757 1.00 . A A . 7 VAL H 1 1 2 415 1 1 7 VAL HA H -3.250 0.840 -6.954 1.00 . A A . 7 VAL HA 1 1 2 416 1 1 7 VAL HB H -3.717 -2.129 -6.640 1.00 . A A . 7 VAL HB 1 1 2 417 1 1 7 VAL HG11 H -4.487 -1.807 -9.084 1.00 . A A . 7 VAL HG11 1 1 2 418 1 1 7 VAL HG12 H -5.594 -1.371 -7.781 1.00 . A A . 7 VAL HG12 1 1 2 419 1 1 7 VAL HG13 H -4.692 -0.116 -8.631 1.00 . A A . 7 VAL HG13 1 1 2 420 1 1 7 VAL HG21 H -1.683 -0.519 -8.052 1.00 . A A . 7 VAL HG21 1 1 2 421 1 1 7 VAL HG22 H -1.583 -2.151 -7.391 1.00 . A A . 7 VAL HG22 1 1 2 422 1 1 7 VAL HG23 H -2.367 -1.876 -8.947 1.00 . A A . 7 VAL HG23 1 1 2 423 1 1 7 VAL N N -2.401 -0.145 -5.350 1.00 . A A . 7 VAL N 1 1 2 424 1 1 7 VAL O O -5.521 1.144 -5.934 1.00 . A A . 7 VAL O 1 1 2 425 1 1 8 VAL C C -6.508 0.500 -3.169 1.00 . A A . 8 VAL C 1 1 2 426 1 1 8 VAL CA C -6.456 -0.708 -4.097 1.00 . A A . 8 VAL CA 1 1 2 427 1 1 8 VAL CB C -6.705 -1.986 -3.273 1.00 . A A . 8 VAL CB 1 1 2 428 1 1 8 VAL CG1 C -8.032 -1.895 -2.535 1.00 . A A . 8 VAL CG1 1 1 2 429 1 1 8 VAL CG2 C -6.668 -3.214 -4.170 1.00 . A A . 8 VAL CG2 1 1 2 430 1 1 8 VAL H H -4.582 -1.528 -4.639 1.00 . A A . 8 VAL H 1 1 2 431 1 1 8 VAL HA H -7.244 -0.620 -4.832 1.00 . A A . 8 VAL HA 1 1 2 432 1 1 8 VAL HB H -5.917 -2.076 -2.540 1.00 . A A . 8 VAL HB 1 1 2 433 1 1 8 VAL HG11 H -8.584 -2.813 -2.674 1.00 . A A . 8 VAL HG11 1 1 2 434 1 1 8 VAL HG12 H -7.849 -1.739 -1.482 1.00 . A A . 8 VAL HG12 1 1 2 435 1 1 8 VAL HG13 H -8.606 -1.068 -2.928 1.00 . A A . 8 VAL HG13 1 1 2 436 1 1 8 VAL HG21 H -7.503 -3.187 -4.853 1.00 . A A . 8 VAL HG21 1 1 2 437 1 1 8 VAL HG22 H -5.744 -3.221 -4.730 1.00 . A A . 8 VAL HG22 1 1 2 438 1 1 8 VAL HG23 H -6.728 -4.106 -3.563 1.00 . A A . 8 VAL HG23 1 1 2 439 1 1 8 VAL N N -5.184 -0.773 -4.806 1.00 . A A . 8 VAL N 1 1 2 440 1 1 8 VAL O O -7.400 1.342 -3.277 1.00 . A A . 8 VAL O 1 1 2 441 1 1 9 VAL C C -4.833 2.914 -1.944 1.00 . A A . 9 VAL C 1 1 2 442 1 1 9 VAL CA C -5.478 1.687 -1.310 1.00 . A A . 9 VAL CA 1 1 2 443 1 1 9 VAL CB C -4.685 1.299 -0.048 1.00 . A A . 9 VAL CB 1 1 2 444 1 1 9 VAL CG1 C -4.807 2.382 1.014 1.00 . A A . 9 VAL CG1 1 1 2 445 1 1 9 VAL CG2 C -5.164 -0.042 0.490 1.00 . A A . 9 VAL CG2 1 1 2 446 1 1 9 VAL H H -4.861 -0.122 -2.220 1.00 . A A . 9 VAL H 1 1 2 447 1 1 9 VAL HA H -6.487 1.934 -1.014 1.00 . A A . 9 VAL HA 1 1 2 448 1 1 9 VAL HB H -3.644 1.204 -0.316 1.00 . A A . 9 VAL HB 1 1 2 449 1 1 9 VAL HG11 H -5.609 3.056 0.749 1.00 . A A . 9 VAL HG11 1 1 2 450 1 1 9 VAL HG12 H -5.018 1.927 1.970 1.00 . A A . 9 VAL HG12 1 1 2 451 1 1 9 VAL HG13 H -3.880 2.933 1.073 1.00 . A A . 9 VAL HG13 1 1 2 452 1 1 9 VAL HG21 H -4.561 -0.325 1.339 1.00 . A A . 9 VAL HG21 1 1 2 453 1 1 9 VAL HG22 H -6.197 0.040 0.792 1.00 . A A . 9 VAL HG22 1 1 2 454 1 1 9 VAL HG23 H -5.073 -0.793 -0.282 1.00 . A A . 9 VAL HG23 1 1 2 455 1 1 9 VAL N N -5.544 0.580 -2.257 1.00 . A A . 9 VAL N 1 1 2 456 1 1 9 VAL O O -5.085 4.045 -1.528 1.00 . A A . 9 VAL O 1 1 2 457 1 1 10 GLY C C -4.301 4.684 -4.367 1.00 . A A . 10 GLY C 1 1 2 458 1 1 10 GLY CA C -3.332 3.781 -3.630 1.00 . A A . 10 GLY CA 1 1 2 459 1 1 10 GLY H H -3.838 1.761 -3.243 1.00 . A A . 10 GLY H 1 1 2 460 1 1 10 GLY HA2 H -2.795 4.366 -2.899 1.00 . A A . 10 GLY HA2 1 1 2 461 1 1 10 GLY HA3 H -2.626 3.374 -4.340 1.00 . A A . 10 GLY HA3 1 1 2 462 1 1 10 GLY N N -4.000 2.684 -2.954 1.00 . A A . 10 GLY N 1 1 2 463 1 1 10 GLY O O -3.971 5.823 -4.695 1.00 . A A . 10 GLY O 1 1 2 464 1 1 11 ALA C C -7.472 5.619 -4.349 1.00 . A A . 11 ALA C 1 1 2 465 1 1 11 ALA CA C -6.520 4.943 -5.330 1.00 . A A . 11 ALA CA 1 1 2 466 1 1 11 ALA CB C -7.294 4.046 -6.285 1.00 . A A . 11 ALA CB 1 1 2 467 1 1 11 ALA H H -5.704 3.260 -4.341 1.00 . A A . 11 ALA H 1 1 2 468 1 1 11 ALA HA H -6.022 5.704 -5.914 1.00 . A A . 11 ALA HA 1 1 2 469 1 1 11 ALA HB1 H -7.291 3.034 -5.908 1.00 . A A . 11 ALA HB1 1 1 2 470 1 1 11 ALA HB2 H -8.311 4.398 -6.366 1.00 . A A . 11 ALA HB2 1 1 2 471 1 1 11 ALA HB3 H -6.826 4.069 -7.258 1.00 . A A . 11 ALA HB3 1 1 2 472 1 1 11 ALA N N -5.500 4.174 -4.628 1.00 . A A . 11 ALA N 1 1 2 473 1 1 11 ALA O O -7.782 6.801 -4.484 1.00 . A A . 11 ALA O 1 1 2 474 1 1 12 GLY C C -9.587 4.319 -1.611 1.00 . A A . 12 GLY C 1 1 2 475 1 1 12 GLY CA C -8.845 5.401 -2.370 1.00 . A A . 12 GLY CA 1 1 2 476 1 1 12 GLY H H -7.650 3.922 -3.302 1.00 . A A . 12 GLY H 1 1 2 477 1 1 12 GLY HA2 H -8.283 5.999 -1.668 1.00 . A A . 12 GLY HA2 1 1 2 478 1 1 12 GLY HA3 H -9.565 6.032 -2.869 1.00 . A A . 12 GLY HA3 1 1 2 479 1 1 12 GLY N N -7.932 4.858 -3.360 1.00 . A A . 12 GLY N 1 1 2 480 1 1 12 GLY O O -10.767 4.468 -1.298 1.00 . A A . 12 GLY O 1 1 2 481 1 1 13 GLY C C -10.727 1.575 -1.305 1.00 . A A . 13 GLY C 1 1 2 482 1 1 13 GLY CA C -9.510 2.128 -0.590 1.00 . A A . 13 GLY CA 1 1 2 483 1 1 13 GLY H H -7.954 3.160 -1.589 1.00 . A A . 13 GLY H 1 1 2 484 1 1 13 GLY HA2 H -8.785 1.337 -0.471 1.00 . A A . 13 GLY HA2 1 1 2 485 1 1 13 GLY HA3 H -9.809 2.480 0.386 1.00 . A A . 13 GLY HA3 1 1 2 486 1 1 13 GLY N N -8.893 3.224 -1.314 1.00 . A A . 13 GLY N 1 1 2 487 1 1 13 GLY O O -11.859 1.775 -0.863 1.00 . A A . 13 GLY O 1 1 2 488 1 1 14 VAL C C -12.389 -0.691 -2.353 1.00 . A A . 14 VAL C 1 1 2 489 1 1 14 VAL CA C -11.583 0.295 -3.190 1.00 . A A . 14 VAL CA 1 1 2 490 1 1 14 VAL CB C -11.052 -0.427 -4.443 1.00 . A A . 14 VAL CB 1 1 2 491 1 1 14 VAL CG1 C -12.204 -0.875 -5.329 1.00 . A A . 14 VAL CG1 1 1 2 492 1 1 14 VAL CG2 C -10.097 0.474 -5.212 1.00 . A A . 14 VAL CG2 1 1 2 493 1 1 14 VAL H H -9.572 0.753 -2.714 1.00 . A A . 14 VAL H 1 1 2 494 1 1 14 VAL HA H -12.232 1.097 -3.510 1.00 . A A . 14 VAL HA 1 1 2 495 1 1 14 VAL HB H -10.508 -1.304 -4.126 1.00 . A A . 14 VAL HB 1 1 2 496 1 1 14 VAL HG11 H -12.549 -0.040 -5.921 1.00 . A A . 14 VAL HG11 1 1 2 497 1 1 14 VAL HG12 H -11.869 -1.667 -5.983 1.00 . A A . 14 VAL HG12 1 1 2 498 1 1 14 VAL HG13 H -13.013 -1.236 -4.712 1.00 . A A . 14 VAL HG13 1 1 2 499 1 1 14 VAL HG21 H -10.354 0.460 -6.261 1.00 . A A . 14 VAL HG21 1 1 2 500 1 1 14 VAL HG22 H -10.174 1.483 -4.835 1.00 . A A . 14 VAL HG22 1 1 2 501 1 1 14 VAL HG23 H -9.085 0.119 -5.084 1.00 . A A . 14 VAL HG23 1 1 2 502 1 1 14 VAL N N -10.496 0.878 -2.413 1.00 . A A . 14 VAL N 1 1 2 503 1 1 14 VAL O O -13.601 -0.818 -2.521 1.00 . A A . 14 VAL O 1 1 2 504 1 1 15 GLY C C -11.958 -3.779 -0.897 1.00 . A A . 15 GLY C 1 1 2 505 1 1 15 GLY CA C -12.377 -2.354 -0.597 1.00 . A A . 15 GLY CA 1 1 2 506 1 1 15 GLY H H -10.742 -1.245 -1.358 1.00 . A A . 15 GLY H 1 1 2 507 1 1 15 GLY HA2 H -12.146 -2.131 0.433 1.00 . A A . 15 GLY HA2 1 1 2 508 1 1 15 GLY HA3 H -13.444 -2.267 -0.743 1.00 . A A . 15 GLY HA3 1 1 2 509 1 1 15 GLY N N -11.708 -1.388 -1.448 1.00 . A A . 15 GLY N 1 1 2 510 1 1 15 GLY O O -12.688 -4.725 -0.599 1.00 . A A . 15 GLY O 1 1 2 511 1 1 16 LYS C C -9.180 -5.687 -0.848 1.00 . A A . 16 LYS C 1 1 2 512 1 1 16 LYS CA C -10.263 -5.256 -1.831 1.00 . A A . 16 LYS CA 1 1 2 513 1 1 16 LYS CB C -9.702 -5.254 -3.255 1.00 . A A . 16 LYS CB 1 1 2 514 1 1 16 LYS CD C -11.917 -5.395 -4.432 1.00 . A A . 16 LYS CD 1 1 2 515 1 1 16 LYS CE C -13.138 -4.515 -4.211 1.00 . A A . 16 LYS CE 1 1 2 516 1 1 16 LYS CG C -10.627 -4.608 -4.273 1.00 . A A . 16 LYS CG 1 1 2 517 1 1 16 LYS H H -10.243 -3.143 -1.703 1.00 . A A . 16 LYS H 1 1 2 518 1 1 16 LYS HA H -11.082 -5.957 -1.777 1.00 . A A . 16 LYS HA 1 1 2 519 1 1 16 LYS HB2 H -8.765 -4.717 -3.260 1.00 . A A . 16 LYS HB2 1 1 2 520 1 1 16 LYS HB3 H -9.523 -6.275 -3.560 1.00 . A A . 16 LYS HB3 1 1 2 521 1 1 16 LYS HD2 H -11.958 -5.805 -5.430 1.00 . A A . 16 LYS HD2 1 1 2 522 1 1 16 LYS HD3 H -11.929 -6.200 -3.710 1.00 . A A . 16 LYS HD3 1 1 2 523 1 1 16 LYS HE2 H -13.011 -3.972 -3.287 1.00 . A A . 16 LYS HE2 1 1 2 524 1 1 16 LYS HE3 H -13.214 -3.817 -5.032 1.00 . A A . 16 LYS HE3 1 1 2 525 1 1 16 LYS HG2 H -10.867 -3.608 -3.944 1.00 . A A . 16 LYS HG2 1 1 2 526 1 1 16 LYS HG3 H -10.122 -4.564 -5.227 1.00 . A A . 16 LYS HG3 1 1 2 527 1 1 16 LYS HZ1 H -15.219 -4.694 -4.240 1.00 . A A . 16 LYS HZ1 1 1 2 528 1 1 16 LYS HZ2 H -14.450 -5.803 -3.220 1.00 . A A . 16 LYS HZ2 1 1 2 529 1 1 16 LYS HZ3 H -14.408 -6.026 -4.896 1.00 . A A . 16 LYS HZ3 1 1 2 530 1 1 16 LYS N N -10.779 -3.935 -1.490 1.00 . A A . 16 LYS N 1 1 2 531 1 1 16 LYS NZ N -14.391 -5.315 -4.137 1.00 . A A . 16 LYS NZ 1 1 2 532 1 1 16 LYS O O -9.184 -6.818 -0.362 1.00 . A A . 16 LYS O 1 1 2 533 1 1 17 SER C C -7.703 -5.581 1.699 1.00 . A A . 17 SER C 1 1 2 534 1 1 17 SER CA C -7.164 -5.067 0.368 1.00 . A A . 17 SER CA 1 1 2 535 1 1 17 SER CB C -6.317 -3.813 0.597 1.00 . A A . 17 SER CB 1 1 2 536 1 1 17 SER H H -8.305 -3.894 -0.976 1.00 . A A . 17 SER H 1 1 2 537 1 1 17 SER HA H -6.546 -5.832 -0.077 1.00 . A A . 17 SER HA 1 1 2 538 1 1 17 SER HB2 H -5.657 -3.670 -0.244 1.00 . A A . 17 SER HB2 1 1 2 539 1 1 17 SER HB3 H -6.967 -2.956 0.695 1.00 . A A . 17 SER HB3 1 1 2 540 1 1 17 SER HG H -4.761 -3.374 1.702 1.00 . A A . 17 SER HG 1 1 2 541 1 1 17 SER N N -8.255 -4.779 -0.557 1.00 . A A . 17 SER N 1 1 2 542 1 1 17 SER O O -7.034 -6.342 2.400 1.00 . A A . 17 SER O 1 1 2 543 1 1 17 SER OG O -5.538 -3.933 1.774 1.00 . A A . 17 SER OG 1 1 2 544 1 1 18 HIS C C -9.606 -7.099 3.385 1.00 . A A . 18 HIS C 1 1 2 545 1 1 18 HIS CA C -9.546 -5.578 3.290 1.00 . A A . 18 HIS CA 1 1 2 546 1 1 18 HIS CB C -10.954 -4.992 3.395 1.00 . A A . 18 HIS CB 1 1 2 547 1 1 18 HIS CD2 C -11.096 -2.771 4.727 1.00 . A A . 18 HIS CD2 1 1 2 548 1 1 18 HIS CE1 C -10.906 -1.377 3.046 1.00 . A A . 18 HIS CE1 1 1 2 549 1 1 18 HIS CG C -10.972 -3.509 3.599 1.00 . A A . 18 HIS CG 1 1 2 550 1 1 18 HIS H H -9.398 -4.554 1.442 1.00 . A A . 18 HIS H 1 1 2 551 1 1 18 HIS HA H -8.947 -5.202 4.106 1.00 . A A . 18 HIS HA 1 1 2 552 1 1 18 HIS HB2 H -11.496 -5.208 2.486 1.00 . A A . 18 HIS HB2 1 1 2 553 1 1 18 HIS HB3 H -11.465 -5.449 4.231 1.00 . A A . 18 HIS HB3 1 1 2 554 1 1 18 HIS HD1 H -10.752 -2.831 1.616 1.00 . A A . 18 HIS HD1 1 1 2 555 1 1 18 HIS HD2 H -11.208 -3.151 5.733 1.00 . A A . 18 HIS HD2 1 1 2 556 1 1 18 HIS HE1 H -10.839 -0.467 2.469 1.00 . A A . 18 HIS HE1 1 1 2 557 1 1 18 HIS N N -8.916 -5.160 2.042 1.00 . A A . 18 HIS N 1 1 2 558 1 1 18 HIS ND1 N -10.856 -2.605 2.564 1.00 . A A . 18 HIS ND1 1 1 2 559 1 1 18 HIS NE2 N -11.051 -1.450 4.357 1.00 . A A . 18 HIS NE2 1 1 2 560 1 1 18 HIS O O -9.616 -7.663 4.479 1.00 . A A . 18 HIS O 1 1 2 561 1 1 19 VAL C C -8.433 -9.835 2.749 1.00 . A A . 19 VAL C 1 1 2 562 1 1 19 VAL CA C -9.705 -9.214 2.184 1.00 . A A . 19 VAL CA 1 1 2 563 1 1 19 VAL CB C -9.915 -9.722 0.745 1.00 . A A . 19 VAL CB 1 1 2 564 1 1 19 VAL CG1 C -10.016 -11.239 0.723 1.00 . A A . 19 VAL CG1 1 1 2 565 1 1 19 VAL CG2 C -11.155 -9.088 0.133 1.00 . A A . 19 VAL CG2 1 1 2 566 1 1 19 VAL H H -9.635 -7.253 1.391 1.00 . A A . 19 VAL H 1 1 2 567 1 1 19 VAL HA H -10.547 -9.534 2.782 1.00 . A A . 19 VAL HA 1 1 2 568 1 1 19 VAL HB H -9.059 -9.431 0.154 1.00 . A A . 19 VAL HB 1 1 2 569 1 1 19 VAL HG11 H -10.541 -11.552 -0.168 1.00 . A A . 19 VAL HG11 1 1 2 570 1 1 19 VAL HG12 H -9.024 -11.666 0.726 1.00 . A A . 19 VAL HG12 1 1 2 571 1 1 19 VAL HG13 H -10.556 -11.577 1.595 1.00 . A A . 19 VAL HG13 1 1 2 572 1 1 19 VAL HG21 H -11.191 -9.312 -0.923 1.00 . A A . 19 VAL HG21 1 1 2 573 1 1 19 VAL HG22 H -12.036 -9.483 0.615 1.00 . A A . 19 VAL HG22 1 1 2 574 1 1 19 VAL HG23 H -11.119 -8.017 0.272 1.00 . A A . 19 VAL HG23 1 1 2 575 1 1 19 VAL N N -9.646 -7.758 2.231 1.00 . A A . 19 VAL N 1 1 2 576 1 1 19 VAL O O -8.488 -10.756 3.564 1.00 . A A . 19 VAL O 1 1 2 577 1 1 20 TRP C C -5.499 -9.023 3.970 1.00 . A A . 20 TRP C 1 1 2 578 1 1 20 TRP CA C -6.000 -9.827 2.775 1.00 . A A . 20 TRP CA 1 1 2 579 1 1 20 TRP CB C -4.972 -9.776 1.643 1.00 . A A . 20 TRP CB 1 1 2 580 1 1 20 TRP CD1 C -6.188 -9.968 -0.605 1.00 . A A . 20 TRP CD1 1 1 2 581 1 1 20 TRP CD2 C -5.133 -11.837 0.034 1.00 . A A . 20 TRP CD2 1 1 2 582 1 1 20 TRP CE2 C -5.755 -12.074 -1.207 1.00 . A A . 20 TRP CE2 1 1 2 583 1 1 20 TRP CE3 C -4.407 -12.871 0.632 1.00 . A A . 20 TRP CE3 1 1 2 584 1 1 20 TRP CG C -5.421 -10.484 0.401 1.00 . A A . 20 TRP CG 1 1 2 585 1 1 20 TRP CH2 C -4.958 -14.297 -1.249 1.00 . A A . 20 TRP CH2 1 1 2 586 1 1 20 TRP CZ2 C -5.674 -13.303 -1.857 1.00 . A A . 20 TRP CZ2 1 1 2 587 1 1 20 TRP CZ3 C -4.328 -14.090 -0.015 1.00 . A A . 20 TRP CZ3 1 1 2 588 1 1 20 TRP H H -7.309 -8.589 1.662 1.00 . A A . 20 TRP H 1 1 2 589 1 1 20 TRP HA H -6.136 -10.854 3.079 1.00 . A A . 20 TRP HA 1 1 2 590 1 1 20 TRP HB2 H -4.778 -8.745 1.388 1.00 . A A . 20 TRP HB2 1 1 2 591 1 1 20 TRP HB3 H -4.055 -10.239 1.979 1.00 . A A . 20 TRP HB3 1 1 2 592 1 1 20 TRP HD1 H -6.571 -8.959 -0.621 1.00 . A A . 20 TRP HD1 1 1 2 593 1 1 20 TRP HE1 H -6.911 -10.790 -2.397 1.00 . A A . 20 TRP HE1 1 1 2 594 1 1 20 TRP HE3 H -3.915 -12.731 1.583 1.00 . A A . 20 TRP HE3 1 1 2 595 1 1 20 TRP HH2 H -4.869 -15.265 -1.718 1.00 . A A . 20 TRP HH2 1 1 2 596 1 1 20 TRP HZ2 H -6.154 -13.478 -2.809 1.00 . A A . 20 TRP HZ2 1 1 2 597 1 1 20 TRP HZ3 H -3.772 -14.901 0.432 1.00 . A A . 20 TRP HZ3 1 1 2 598 1 1 20 TRP N N -7.288 -9.323 2.312 1.00 . A A . 20 TRP N 1 1 2 599 1 1 20 TRP NE1 N -6.393 -10.919 -1.575 1.00 . A A . 20 TRP NE1 1 1 2 600 1 1 20 TRP O O -5.043 -9.588 4.964 1.00 . A A . 20 TRP O 1 1 3 601 1 1 1 MET C C 3.155 -1.107 -1.217 1.00 . A A . 1 MET C 1 1 3 602 1 1 1 MET CA C 2.081 -0.025 -1.184 1.00 . A A . 1 MET CA 1 1 3 603 1 1 1 MET CB C 2.721 1.351 -1.381 1.00 . A A . 1 MET CB 1 1 3 604 1 1 1 MET CE C 3.871 4.237 -3.151 1.00 . A A . 1 MET CE 1 1 3 605 1 1 1 MET CG C 3.325 1.548 -2.762 1.00 . A A . 1 MET CG 1 1 3 606 1 1 1 MET H1 H 1.833 0.018 0.918 1.00 . A A . 1 MET H1 1 1 3 607 1 1 1 MET HA H 1.381 -0.204 -1.985 1.00 . A A . 1 MET HA 1 1 3 608 1 1 1 MET HB2 H 1.968 2.110 -1.230 1.00 . A A . 1 MET HB2 1 1 3 609 1 1 1 MET HB3 H 3.504 1.480 -0.649 1.00 . A A . 1 MET HB3 1 1 3 610 1 1 1 MET HE1 H 3.897 4.891 -2.292 1.00 . A A . 1 MET HE1 1 1 3 611 1 1 1 MET HE2 H 4.367 4.715 -3.983 1.00 . A A . 1 MET HE2 1 1 3 612 1 1 1 MET HE3 H 2.845 4.028 -3.415 1.00 . A A . 1 MET HE3 1 1 3 613 1 1 1 MET HG2 H 3.673 0.593 -3.128 1.00 . A A . 1 MET HG2 1 1 3 614 1 1 1 MET HG3 H 2.559 1.926 -3.424 1.00 . A A . 1 MET HG3 1 1 3 615 1 1 1 MET N N 1.343 -0.064 0.073 1.00 . A A . 1 MET N 1 1 3 616 1 1 1 MET O O 4.334 -0.821 -1.429 1.00 . A A . 1 MET O 1 1 3 617 1 1 1 MET SD S 4.709 2.703 -2.757 1.00 . A A . 1 MET SD 1 1 3 618 1 1 2 THR C C 3.315 -4.476 -2.106 1.00 . A A . 2 THR C 1 1 3 619 1 1 2 THR CA C 3.668 -3.478 -1.009 1.00 . A A . 2 THR CA 1 1 3 620 1 1 2 THR CB C 3.675 -4.205 0.349 1.00 . A A . 2 THR CB 1 1 3 621 1 1 2 THR CG2 C 2.352 -4.915 0.589 1.00 . A A . 2 THR CG2 1 1 3 622 1 1 2 THR H H 1.789 -2.517 -0.841 1.00 . A A . 2 THR H 1 1 3 623 1 1 2 THR HA H 4.660 -3.092 -1.193 1.00 . A A . 2 THR HA 1 1 3 624 1 1 2 THR HB H 3.822 -3.473 1.131 1.00 . A A . 2 THR HB 1 1 3 625 1 1 2 THR HG1 H 4.867 -5.461 1.292 1.00 . A A . 2 THR HG1 1 1 3 626 1 1 2 THR HG21 H 2.201 -5.662 -0.175 1.00 . A A . 2 THR HG21 1 1 3 627 1 1 2 THR HG22 H 1.546 -4.197 0.554 1.00 . A A . 2 THR HG22 1 1 3 628 1 1 2 THR HG23 H 2.369 -5.389 1.559 1.00 . A A . 2 THR HG23 1 1 3 629 1 1 2 THR N N 2.741 -2.353 -1.005 1.00 . A A . 2 THR N 1 1 3 630 1 1 2 THR O O 4.188 -5.159 -2.640 1.00 . A A . 2 THR O 1 1 3 631 1 1 2 THR OG1 O 4.746 -5.154 0.390 1.00 . A A . 2 THR OG1 1 1 3 632 1 1 3 GLU C C 0.285 -4.953 -4.121 1.00 . A A . 3 GLU C 1 1 3 633 1 1 3 GLU CA C 1.563 -5.473 -3.469 1.00 . A A . 3 GLU CA 1 1 3 634 1 1 3 GLU CB C 1.317 -6.862 -2.877 1.00 . A A . 3 GLU CB 1 1 3 635 1 1 3 GLU CD C 0.494 -9.214 -3.289 1.00 . A A . 3 GLU CD 1 1 3 636 1 1 3 GLU CG C 0.536 -7.786 -3.796 1.00 . A A . 3 GLU CG 1 1 3 637 1 1 3 GLU H H 1.381 -3.986 -1.974 1.00 . A A . 3 GLU H 1 1 3 638 1 1 3 GLU HA H 2.333 -5.544 -4.222 1.00 . A A . 3 GLU HA 1 1 3 639 1 1 3 GLU HB2 H 2.271 -7.323 -2.663 1.00 . A A . 3 GLU HB2 1 1 3 640 1 1 3 GLU HB3 H 0.765 -6.754 -1.955 1.00 . A A . 3 GLU HB3 1 1 3 641 1 1 3 GLU HG2 H -0.477 -7.420 -3.877 1.00 . A A . 3 GLU HG2 1 1 3 642 1 1 3 GLU HG3 H 0.999 -7.779 -4.771 1.00 . A A . 3 GLU HG3 1 1 3 643 1 1 3 GLU N N 2.030 -4.556 -2.436 1.00 . A A . 3 GLU N 1 1 3 644 1 1 3 GLU O O 0.271 -4.617 -5.305 1.00 . A A . 3 GLU O 1 1 3 645 1 1 3 GLU OE1 O 1.082 -9.481 -2.220 1.00 . A A . 3 GLU OE1 1 1 3 646 1 1 3 GLU OE2 O -0.126 -10.065 -3.960 1.00 . A A . 3 GLU OE2 1 1 3 647 1 1 4 TYR C C -2.430 -3.064 -3.224 1.00 . A A . 4 TYR C 1 1 3 648 1 1 4 TYR CA C -2.072 -4.414 -3.839 1.00 . A A . 4 TYR CA 1 1 3 649 1 1 4 TYR CB C -3.171 -5.433 -3.535 1.00 . A A . 4 TYR CB 1 1 3 650 1 1 4 TYR CD1 C -3.232 -5.334 -1.013 1.00 . A A . 4 TYR CD1 1 1 3 651 1 1 4 TYR CD2 C -2.729 -7.423 -2.045 1.00 . A A . 4 TYR CD2 1 1 3 652 1 1 4 TYR CE1 C -3.114 -5.916 0.234 1.00 . A A . 4 TYR CE1 1 1 3 653 1 1 4 TYR CE2 C -2.610 -8.014 -0.801 1.00 . A A . 4 TYR CE2 1 1 3 654 1 1 4 TYR CG C -3.041 -6.075 -2.172 1.00 . A A . 4 TYR CG 1 1 3 655 1 1 4 TYR CZ C -2.803 -7.256 0.335 1.00 . A A . 4 TYR CZ 1 1 3 656 1 1 4 TYR H H -0.714 -5.172 -2.403 1.00 . A A . 4 TYR H 1 1 3 657 1 1 4 TYR HA H -1.988 -4.298 -4.910 1.00 . A A . 4 TYR HA 1 1 3 658 1 1 4 TYR HB2 H -4.130 -4.942 -3.580 1.00 . A A . 4 TYR HB2 1 1 3 659 1 1 4 TYR HB3 H -3.139 -6.219 -4.276 1.00 . A A . 4 TYR HB3 1 1 3 660 1 1 4 TYR HD1 H -3.476 -4.285 -1.095 1.00 . A A . 4 TYR HD1 1 1 3 661 1 1 4 TYR HD2 H -2.578 -8.014 -2.936 1.00 . A A . 4 TYR HD2 1 1 3 662 1 1 4 TYR HE1 H -3.266 -5.323 1.124 1.00 . A A . 4 TYR HE1 1 1 3 663 1 1 4 TYR HE2 H -2.366 -9.063 -0.722 1.00 . A A . 4 TYR HE2 1 1 3 664 1 1 4 TYR HH H -3.131 -7.295 2.229 1.00 . A A . 4 TYR HH 1 1 3 665 1 1 4 TYR N N -0.787 -4.890 -3.339 1.00 . A A . 4 TYR N 1 1 3 666 1 1 4 TYR O O -3.222 -2.305 -3.782 1.00 . A A . 4 TYR O 1 1 3 667 1 1 4 TYR OH O -2.686 -7.840 1.575 1.00 . A A . 4 TYR OH 1 1 3 668 1 1 5 LYS C C -1.663 -0.327 -2.233 1.00 . A A . 5 LYS C 1 1 3 669 1 1 5 LYS CA C -2.093 -1.515 -1.378 1.00 . A A . 5 LYS CA 1 1 3 670 1 1 5 LYS CB C -1.351 -1.488 -0.039 1.00 . A A . 5 LYS CB 1 1 3 671 1 1 5 LYS CD C -1.038 -2.931 1.993 1.00 . A A . 5 LYS CD 1 1 3 672 1 1 5 LYS CE C -1.596 -3.063 3.402 1.00 . A A . 5 LYS CE 1 1 3 673 1 1 5 LYS CG C -2.043 -2.282 1.055 1.00 . A A . 5 LYS CG 1 1 3 674 1 1 5 LYS H H -1.217 -3.419 -1.675 1.00 . A A . 5 LYS H 1 1 3 675 1 1 5 LYS HA H -3.154 -1.445 -1.193 1.00 . A A . 5 LYS HA 1 1 3 676 1 1 5 LYS HB2 H -0.362 -1.896 -0.181 1.00 . A A . 5 LYS HB2 1 1 3 677 1 1 5 LYS HB3 H -1.265 -0.462 0.290 1.00 . A A . 5 LYS HB3 1 1 3 678 1 1 5 LYS HD2 H -0.795 -3.915 1.621 1.00 . A A . 5 LYS HD2 1 1 3 679 1 1 5 LYS HD3 H -0.144 -2.324 2.024 1.00 . A A . 5 LYS HD3 1 1 3 680 1 1 5 LYS HE2 H -2.615 -3.411 3.341 1.00 . A A . 5 LYS HE2 1 1 3 681 1 1 5 LYS HE3 H -1.001 -3.783 3.944 1.00 . A A . 5 LYS HE3 1 1 3 682 1 1 5 LYS HG2 H -2.675 -1.618 1.626 1.00 . A A . 5 LYS HG2 1 1 3 683 1 1 5 LYS HG3 H -2.647 -3.054 0.600 1.00 . A A . 5 LYS HG3 1 1 3 684 1 1 5 LYS HZ1 H -1.044 -1.867 5.024 1.00 . A A . 5 LYS HZ1 1 1 3 685 1 1 5 LYS HZ2 H -2.540 -1.458 4.348 1.00 . A A . 5 LYS HZ2 1 1 3 686 1 1 5 LYS HZ3 H -1.109 -1.037 3.551 1.00 . A A . 5 LYS HZ3 1 1 3 687 1 1 5 LYS N N -1.840 -2.772 -2.070 1.00 . A A . 5 LYS N 1 1 3 688 1 1 5 LYS NZ N -1.570 -1.765 4.132 1.00 . A A . 5 LYS NZ 1 1 3 689 1 1 5 LYS O O -2.080 0.807 -1.992 1.00 . A A . 5 LYS O 1 1 3 690 1 1 6 LEU C C -1.366 0.753 -5.218 1.00 . A A . 6 LEU C 1 1 3 691 1 1 6 LEU CA C -0.346 0.454 -4.125 1.00 . A A . 6 LEU CA 1 1 3 692 1 1 6 LEU CB C 0.986 0.039 -4.754 1.00 . A A . 6 LEU CB 1 1 3 693 1 1 6 LEU CD1 C 0.953 -0.917 -7.070 1.00 . A A . 6 LEU CD1 1 1 3 694 1 1 6 LEU CD2 C 2.159 -2.122 -5.240 1.00 . A A . 6 LEU CD2 1 1 3 695 1 1 6 LEU CG C 0.965 -1.244 -5.585 1.00 . A A . 6 LEU CG 1 1 3 696 1 1 6 LEU H H -0.533 -1.516 -3.374 1.00 . A A . 6 LEU H 1 1 3 697 1 1 6 LEU HA H -0.194 1.346 -3.536 1.00 . A A . 6 LEU HA 1 1 3 698 1 1 6 LEU HB2 H 1.313 0.843 -5.395 1.00 . A A . 6 LEU HB2 1 1 3 699 1 1 6 LEU HB3 H 1.701 -0.095 -3.954 1.00 . A A . 6 LEU HB3 1 1 3 700 1 1 6 LEU HD11 H 0.130 -0.252 -7.286 1.00 . A A . 6 LEU HD11 1 1 3 701 1 1 6 LEU HD12 H 0.837 -1.828 -7.638 1.00 . A A . 6 LEU HD12 1 1 3 702 1 1 6 LEU HD13 H 1.883 -0.440 -7.342 1.00 . A A . 6 LEU HD13 1 1 3 703 1 1 6 LEU HD21 H 2.284 -2.155 -4.168 1.00 . A A . 6 LEU HD21 1 1 3 704 1 1 6 LEU HD22 H 3.049 -1.713 -5.695 1.00 . A A . 6 LEU HD22 1 1 3 705 1 1 6 LEU HD23 H 1.990 -3.121 -5.615 1.00 . A A . 6 LEU HD23 1 1 3 706 1 1 6 LEU HG H 0.064 -1.798 -5.358 1.00 . A A . 6 LEU HG 1 1 3 707 1 1 6 LEU N N -0.830 -0.594 -3.232 1.00 . A A . 6 LEU N 1 1 3 708 1 1 6 LEU O O -1.276 1.771 -5.904 1.00 . A A . 6 LEU O 1 1 3 709 1 1 7 VAL C C -4.740 0.255 -5.733 1.00 . A A . 7 VAL C 1 1 3 710 1 1 7 VAL CA C -3.378 0.029 -6.381 1.00 . A A . 7 VAL CA 1 1 3 711 1 1 7 VAL CB C -3.462 -1.195 -7.312 1.00 . A A . 7 VAL CB 1 1 3 712 1 1 7 VAL CG1 C -4.491 -0.963 -8.408 1.00 . A A . 7 VAL CG1 1 1 3 713 1 1 7 VAL CG2 C -2.098 -1.505 -7.908 1.00 . A A . 7 VAL CG2 1 1 3 714 1 1 7 VAL H H -2.356 -0.932 -4.796 1.00 . A A . 7 VAL H 1 1 3 715 1 1 7 VAL HA H -3.127 0.893 -6.979 1.00 . A A . 7 VAL HA 1 1 3 716 1 1 7 VAL HB H -3.778 -2.046 -6.727 1.00 . A A . 7 VAL HB 1 1 3 717 1 1 7 VAL HG11 H -4.905 0.030 -8.308 1.00 . A A . 7 VAL HG11 1 1 3 718 1 1 7 VAL HG12 H -4.018 -1.061 -9.374 1.00 . A A . 7 VAL HG12 1 1 3 719 1 1 7 VAL HG13 H -5.283 -1.692 -8.319 1.00 . A A . 7 VAL HG13 1 1 3 720 1 1 7 VAL HG21 H -1.666 -0.601 -8.311 1.00 . A A . 7 VAL HG21 1 1 3 721 1 1 7 VAL HG22 H -1.452 -1.902 -7.139 1.00 . A A . 7 VAL HG22 1 1 3 722 1 1 7 VAL HG23 H -2.206 -2.235 -8.698 1.00 . A A . 7 VAL HG23 1 1 3 723 1 1 7 VAL N N -2.338 -0.141 -5.374 1.00 . A A . 7 VAL N 1 1 3 724 1 1 7 VAL O O -5.405 1.257 -5.995 1.00 . A A . 7 VAL O 1 1 3 725 1 1 8 VAL C C -6.451 0.601 -3.239 1.00 . A A . 8 VAL C 1 1 3 726 1 1 8 VAL CA C -6.430 -0.586 -4.196 1.00 . A A . 8 VAL CA 1 1 3 727 1 1 8 VAL CB C -6.743 -1.872 -3.408 1.00 . A A . 8 VAL CB 1 1 3 728 1 1 8 VAL CG1 C -8.077 -1.745 -2.688 1.00 . A A . 8 VAL CG1 1 1 3 729 1 1 8 VAL CG2 C -6.740 -3.078 -4.335 1.00 . A A . 8 VAL CG2 1 1 3 730 1 1 8 VAL H H -4.573 -1.458 -4.716 1.00 . A A . 8 VAL H 1 1 3 731 1 1 8 VAL HA H -7.199 -0.449 -4.942 1.00 . A A . 8 VAL HA 1 1 3 732 1 1 8 VAL HB H -5.970 -2.013 -2.667 1.00 . A A . 8 VAL HB 1 1 3 733 1 1 8 VAL HG11 H -7.904 -1.651 -1.626 1.00 . A A . 8 VAL HG11 1 1 3 734 1 1 8 VAL HG12 H -8.599 -0.871 -3.048 1.00 . A A . 8 VAL HG12 1 1 3 735 1 1 8 VAL HG13 H -8.673 -2.626 -2.878 1.00 . A A . 8 VAL HG13 1 1 3 736 1 1 8 VAL HG21 H -7.753 -3.424 -4.479 1.00 . A A . 8 VAL HG21 1 1 3 737 1 1 8 VAL HG22 H -6.317 -2.797 -5.288 1.00 . A A . 8 VAL HG22 1 1 3 738 1 1 8 VAL HG23 H -6.148 -3.868 -3.897 1.00 . A A . 8 VAL HG23 1 1 3 739 1 1 8 VAL N N -5.148 -0.683 -4.884 1.00 . A A . 8 VAL N 1 1 3 740 1 1 8 VAL O O -7.302 1.485 -3.348 1.00 . A A . 8 VAL O 1 1 3 741 1 1 9 VAL C C -4.719 2.913 -1.917 1.00 . A A . 9 VAL C 1 1 3 742 1 1 9 VAL CA C -5.419 1.695 -1.326 1.00 . A A . 9 VAL CA 1 1 3 743 1 1 9 VAL CB C -4.663 1.246 -0.061 1.00 . A A . 9 VAL CB 1 1 3 744 1 1 9 VAL CG1 C -4.760 2.308 1.024 1.00 . A A . 9 VAL CG1 1 1 3 745 1 1 9 VAL CG2 C -5.201 -0.087 0.436 1.00 . A A . 9 VAL CG2 1 1 3 746 1 1 9 VAL H H -4.860 -0.117 -2.265 1.00 . A A . 9 VAL H 1 1 3 747 1 1 9 VAL HA H -6.423 1.972 -1.040 1.00 . A A . 9 VAL HA 1 1 3 748 1 1 9 VAL HB H -3.621 1.118 -0.316 1.00 . A A . 9 VAL HB 1 1 3 749 1 1 9 VAL HG11 H -5.292 3.166 0.641 1.00 . A A . 9 VAL HG11 1 1 3 750 1 1 9 VAL HG12 H -5.289 1.906 1.876 1.00 . A A . 9 VAL HG12 1 1 3 751 1 1 9 VAL HG13 H -3.766 2.606 1.325 1.00 . A A . 9 VAL HG13 1 1 3 752 1 1 9 VAL HG21 H -6.247 0.016 0.683 1.00 . A A . 9 VAL HG21 1 1 3 753 1 1 9 VAL HG22 H -5.084 -0.832 -0.336 1.00 . A A . 9 VAL HG22 1 1 3 754 1 1 9 VAL HG23 H -4.652 -0.392 1.316 1.00 . A A . 9 VAL HG23 1 1 3 755 1 1 9 VAL N N -5.510 0.616 -2.301 1.00 . A A . 9 VAL N 1 1 3 756 1 1 9 VAL O O -4.942 4.043 -1.483 1.00 . A A . 9 VAL O 1 1 3 757 1 1 10 GLY C C -4.073 4.719 -4.282 1.00 . A A . 10 GLY C 1 1 3 758 1 1 10 GLY CA C -3.151 3.764 -3.550 1.00 . A A . 10 GLY CA 1 1 3 759 1 1 10 GLY H H -3.733 1.755 -3.219 1.00 . A A . 10 GLY H 1 1 3 760 1 1 10 GLY HA2 H -2.608 4.312 -2.794 1.00 . A A . 10 GLY HA2 1 1 3 761 1 1 10 GLY HA3 H -2.447 3.350 -4.256 1.00 . A A . 10 GLY HA3 1 1 3 762 1 1 10 GLY N N -3.871 2.676 -2.914 1.00 . A A . 10 GLY N 1 1 3 763 1 1 10 GLY O O -3.700 5.857 -4.566 1.00 . A A . 10 GLY O 1 1 3 764 1 1 11 ALA C C -7.187 5.784 -4.313 1.00 . A A . 11 ALA C 1 1 3 765 1 1 11 ALA CA C -6.257 5.077 -5.293 1.00 . A A . 11 ALA CA 1 1 3 766 1 1 11 ALA CB C -7.061 4.225 -6.265 1.00 . A A . 11 ALA CB 1 1 3 767 1 1 11 ALA H H -5.519 3.340 -4.336 1.00 . A A . 11 ALA H 1 1 3 768 1 1 11 ALA HA H -5.720 5.820 -5.864 1.00 . A A . 11 ALA HA 1 1 3 769 1 1 11 ALA HB1 H -6.844 3.181 -6.091 1.00 . A A . 11 ALA HB1 1 1 3 770 1 1 11 ALA HB2 H -8.115 4.404 -6.114 1.00 . A A . 11 ALA HB2 1 1 3 771 1 1 11 ALA HB3 H -6.792 4.485 -7.278 1.00 . A A . 11 ALA HB3 1 1 3 772 1 1 11 ALA N N -5.280 4.255 -4.590 1.00 . A A . 11 ALA N 1 1 3 773 1 1 11 ALA O O -7.342 7.003 -4.359 1.00 . A A . 11 ALA O 1 1 3 774 1 1 12 GLY C C -9.426 4.520 -1.632 1.00 . A A . 12 GLY C 1 1 3 775 1 1 12 GLY CA C -8.713 5.579 -2.448 1.00 . A A . 12 GLY CA 1 1 3 776 1 1 12 GLY H H -7.644 4.042 -3.437 1.00 . A A . 12 GLY H 1 1 3 777 1 1 12 GLY HA2 H -8.152 6.216 -1.781 1.00 . A A . 12 GLY HA2 1 1 3 778 1 1 12 GLY HA3 H -9.451 6.176 -2.964 1.00 . A A . 12 GLY HA3 1 1 3 779 1 1 12 GLY N N -7.805 5.009 -3.426 1.00 . A A . 12 GLY N 1 1 3 780 1 1 12 GLY O O -10.585 4.690 -1.258 1.00 . A A . 12 GLY O 1 1 3 781 1 1 13 GLY C C -10.566 1.776 -1.234 1.00 . A A . 13 GLY C 1 1 3 782 1 1 13 GLY CA C -9.321 2.344 -0.581 1.00 . A A . 13 GLY CA 1 1 3 783 1 1 13 GLY H H -7.809 3.340 -1.680 1.00 . A A . 13 GLY H 1 1 3 784 1 1 13 GLY HA2 H -8.593 1.554 -0.469 1.00 . A A . 13 GLY HA2 1 1 3 785 1 1 13 GLY HA3 H -9.582 2.721 0.397 1.00 . A A . 13 GLY HA3 1 1 3 786 1 1 13 GLY N N -8.730 3.420 -1.355 1.00 . A A . 13 GLY N 1 1 3 787 1 1 13 GLY O O -11.681 2.003 -0.764 1.00 . A A . 13 GLY O 1 1 3 788 1 1 14 VAL C C -12.268 -0.528 -2.147 1.00 . A A . 14 VAL C 1 1 3 789 1 1 14 VAL CA C -11.493 0.434 -3.040 1.00 . A A . 14 VAL CA 1 1 3 790 1 1 14 VAL CB C -11.012 -0.321 -4.294 1.00 . A A . 14 VAL CB 1 1 3 791 1 1 14 VAL CG1 C -12.198 -0.825 -5.102 1.00 . A A . 14 VAL CG1 1 1 3 792 1 1 14 VAL CG2 C -10.118 0.570 -5.142 1.00 . A A . 14 VAL CG2 1 1 3 793 1 1 14 VAL H H -9.464 0.891 -2.648 1.00 . A A . 14 VAL H 1 1 3 794 1 1 14 VAL HA H -12.154 1.228 -3.356 1.00 . A A . 14 VAL HA 1 1 3 795 1 1 14 VAL HB H -10.433 -1.176 -3.974 1.00 . A A . 14 VAL HB 1 1 3 796 1 1 14 VAL HG11 H -11.882 -1.031 -6.114 1.00 . A A . 14 VAL HG11 1 1 3 797 1 1 14 VAL HG12 H -12.583 -1.729 -4.652 1.00 . A A . 14 VAL HG12 1 1 3 798 1 1 14 VAL HG13 H -12.971 -0.071 -5.114 1.00 . A A . 14 VAL HG13 1 1 3 799 1 1 14 VAL HG21 H -9.162 0.690 -4.655 1.00 . A A . 14 VAL HG21 1 1 3 800 1 1 14 VAL HG22 H -9.975 0.117 -6.112 1.00 . A A . 14 VAL HG22 1 1 3 801 1 1 14 VAL HG23 H -10.584 1.538 -5.263 1.00 . A A . 14 VAL HG23 1 1 3 802 1 1 14 VAL N N -10.376 1.036 -2.322 1.00 . A A . 14 VAL N 1 1 3 803 1 1 14 VAL O O -13.487 -0.648 -2.256 1.00 . A A . 14 VAL O 1 1 3 804 1 1 15 GLY C C -11.812 -3.592 -0.665 1.00 . A A . 15 GLY C 1 1 3 805 1 1 15 GLY CA C -12.186 -2.155 -0.360 1.00 . A A . 15 GLY CA 1 1 3 806 1 1 15 GLY H H -10.580 -1.076 -1.219 1.00 . A A . 15 GLY H 1 1 3 807 1 1 15 GLY HA2 H -11.891 -1.924 0.653 1.00 . A A . 15 GLY HA2 1 1 3 808 1 1 15 GLY HA3 H -13.258 -2.049 -0.445 1.00 . A A . 15 GLY HA3 1 1 3 809 1 1 15 GLY N N -11.550 -1.212 -1.261 1.00 . A A . 15 GLY N 1 1 3 810 1 1 15 GLY O O -12.504 -4.523 -0.254 1.00 . A A . 15 GLY O 1 1 3 811 1 1 16 LYS C C -9.132 -5.565 -0.816 1.00 . A A . 16 LYS C 1 1 3 812 1 1 16 LYS CA C -10.246 -5.107 -1.751 1.00 . A A . 16 LYS CA 1 1 3 813 1 1 16 LYS CB C -9.750 -5.122 -3.198 1.00 . A A . 16 LYS CB 1 1 3 814 1 1 16 LYS CD C -12.082 -5.136 -4.133 1.00 . A A . 16 LYS CD 1 1 3 815 1 1 16 LYS CE C -12.002 -6.608 -4.507 1.00 . A A . 16 LYS CE 1 1 3 816 1 1 16 LYS CG C -10.714 -4.476 -4.178 1.00 . A A . 16 LYS CG 1 1 3 817 1 1 16 LYS H H -10.202 -2.992 -1.688 1.00 . A A . 16 LYS H 1 1 3 818 1 1 16 LYS HA H -11.080 -5.787 -1.658 1.00 . A A . 16 LYS HA 1 1 3 819 1 1 16 LYS HB2 H -8.809 -4.593 -3.249 1.00 . A A . 16 LYS HB2 1 1 3 820 1 1 16 LYS HB3 H -9.594 -6.147 -3.502 1.00 . A A . 16 LYS HB3 1 1 3 821 1 1 16 LYS HD2 H -12.479 -5.052 -3.132 1.00 . A A . 16 LYS HD2 1 1 3 822 1 1 16 LYS HD3 H -12.739 -4.632 -4.827 1.00 . A A . 16 LYS HD3 1 1 3 823 1 1 16 LYS HE2 H -11.254 -6.731 -5.276 1.00 . A A . 16 LYS HE2 1 1 3 824 1 1 16 LYS HE3 H -11.716 -7.174 -3.633 1.00 . A A . 16 LYS HE3 1 1 3 825 1 1 16 LYS HG2 H -10.822 -3.431 -3.927 1.00 . A A . 16 LYS HG2 1 1 3 826 1 1 16 LYS HG3 H -10.313 -4.568 -5.178 1.00 . A A . 16 LYS HG3 1 1 3 827 1 1 16 LYS HZ1 H -14.091 -6.627 -4.545 1.00 . A A . 16 LYS HZ1 1 1 3 828 1 1 16 LYS HZ2 H -13.387 -8.141 -4.817 1.00 . A A . 16 LYS HZ2 1 1 3 829 1 1 16 LYS HZ3 H -13.375 -6.972 -6.039 1.00 . A A . 16 LYS HZ3 1 1 3 830 1 1 16 LYS N N -10.713 -3.774 -1.390 1.00 . A A . 16 LYS N 1 1 3 831 1 1 16 LYS NZ N -13.305 -7.123 -5.012 1.00 . A A . 16 LYS NZ 1 1 3 832 1 1 16 LYS O O -9.211 -6.639 -0.219 1.00 . A A . 16 LYS O 1 1 3 833 1 1 17 SER C C -7.435 -5.429 1.574 1.00 . A A . 17 SER C 1 1 3 834 1 1 17 SER CA C -6.962 -5.066 0.170 1.00 . A A . 17 SER CA 1 1 3 835 1 1 17 SER CB C -5.991 -3.886 0.235 1.00 . A A . 17 SER CB 1 1 3 836 1 1 17 SER H H -8.089 -3.902 -1.193 1.00 . A A . 17 SER H 1 1 3 837 1 1 17 SER HA H -6.453 -5.917 -0.257 1.00 . A A . 17 SER HA 1 1 3 838 1 1 17 SER HB2 H -5.389 -3.869 -0.661 1.00 . A A . 17 SER HB2 1 1 3 839 1 1 17 SER HB3 H -6.552 -2.965 0.309 1.00 . A A . 17 SER HB3 1 1 3 840 1 1 17 SER HG H -4.496 -3.275 1.343 1.00 . A A . 17 SER HG 1 1 3 841 1 1 17 SER N N -8.094 -4.744 -0.691 1.00 . A A . 17 SER N 1 1 3 842 1 1 17 SER O O -6.799 -6.221 2.270 1.00 . A A . 17 SER O 1 1 3 843 1 1 17 SER OG O -5.135 -3.991 1.359 1.00 . A A . 17 SER OG 1 1 3 844 1 1 18 HIS C C -9.261 -6.602 3.548 1.00 . A A . 18 HIS C 1 1 3 845 1 1 18 HIS CA C -9.114 -5.103 3.307 1.00 . A A . 18 HIS CA 1 1 3 846 1 1 18 HIS CB C -10.471 -4.415 3.454 1.00 . A A . 18 HIS CB 1 1 3 847 1 1 18 HIS CD2 C -11.161 -2.069 4.319 1.00 . A A . 18 HIS CD2 1 1 3 848 1 1 18 HIS CE1 C -9.549 -0.902 3.400 1.00 . A A . 18 HIS CE1 1 1 3 849 1 1 18 HIS CG C -10.374 -2.931 3.634 1.00 . A A . 18 HIS CG 1 1 3 850 1 1 18 HIS H H -9.016 -4.220 1.385 1.00 . A A . 18 HIS H 1 1 3 851 1 1 18 HIS HA H -8.433 -4.698 4.041 1.00 . A A . 18 HIS HA 1 1 3 852 1 1 18 HIS HB2 H -11.061 -4.604 2.570 1.00 . A A . 18 HIS HB2 1 1 3 853 1 1 18 HIS HB3 H -10.982 -4.822 4.315 1.00 . A A . 18 HIS HB3 1 1 3 854 1 1 18 HIS HD1 H -8.644 -2.506 2.509 1.00 . A A . 18 HIS HD1 1 1 3 855 1 1 18 HIS HD2 H -12.046 -2.321 4.888 1.00 . A A . 18 HIS HD2 1 1 3 856 1 1 18 HIS HE1 H -8.919 -0.077 3.101 1.00 . A A . 18 HIS HE1 1 1 3 857 1 1 18 HIS N N -8.555 -4.842 1.985 1.00 . A A . 18 HIS N 1 1 3 858 1 1 18 HIS ND1 N -9.374 -2.169 3.068 1.00 . A A . 18 HIS ND1 1 1 3 859 1 1 18 HIS NE2 N -10.627 -0.814 4.158 1.00 . A A . 18 HIS NE2 1 1 3 860 1 1 18 HIS O O -9.166 -7.071 4.683 1.00 . A A . 18 HIS O 1 1 3 861 1 1 19 VAL C C -8.353 -9.467 2.990 1.00 . A A . 19 VAL C 1 1 3 862 1 1 19 VAL CA C -9.655 -8.796 2.569 1.00 . A A . 19 VAL CA 1 1 3 863 1 1 19 VAL CB C -10.121 -9.398 1.230 1.00 . A A . 19 VAL CB 1 1 3 864 1 1 19 VAL CG1 C -10.387 -10.888 1.379 1.00 . A A . 19 VAL CG1 1 1 3 865 1 1 19 VAL CG2 C -11.360 -8.675 0.724 1.00 . A A . 19 VAL CG2 1 1 3 866 1 1 19 VAL H H -9.561 -6.918 1.597 1.00 . A A . 19 VAL H 1 1 3 867 1 1 19 VAL HA H -10.411 -9.000 3.314 1.00 . A A . 19 VAL HA 1 1 3 868 1 1 19 VAL HB H -9.332 -9.266 0.505 1.00 . A A . 19 VAL HB 1 1 3 869 1 1 19 VAL HG11 H -10.857 -11.261 0.480 1.00 . A A . 19 VAL HG11 1 1 3 870 1 1 19 VAL HG12 H -9.453 -11.407 1.540 1.00 . A A . 19 VAL HG12 1 1 3 871 1 1 19 VAL HG13 H -11.042 -11.055 2.222 1.00 . A A . 19 VAL HG13 1 1 3 872 1 1 19 VAL HG21 H -11.775 -8.071 1.517 1.00 . A A . 19 VAL HG21 1 1 3 873 1 1 19 VAL HG22 H -11.091 -8.042 -0.109 1.00 . A A . 19 VAL HG22 1 1 3 874 1 1 19 VAL HG23 H -12.094 -9.399 0.402 1.00 . A A . 19 VAL HG23 1 1 3 875 1 1 19 VAL N N -9.495 -7.350 2.474 1.00 . A A . 19 VAL N 1 1 3 876 1 1 19 VAL O O -8.339 -10.313 3.884 1.00 . A A . 19 VAL O 1 1 3 877 1 1 20 TRP C C -5.319 -8.941 3.841 1.00 . A A . 20 TRP C 1 1 3 878 1 1 20 TRP CA C -5.951 -9.648 2.646 1.00 . A A . 20 TRP CA 1 1 3 879 1 1 20 TRP CB C -5.029 -9.543 1.430 1.00 . A A . 20 TRP CB 1 1 3 880 1 1 20 TRP CD1 C -6.329 -10.099 -0.708 1.00 . A A . 20 TRP CD1 1 1 3 881 1 1 20 TRP CD2 C -5.013 -11.755 0.027 1.00 . A A . 20 TRP CD2 1 1 3 882 1 1 20 TRP CE2 C -5.666 -12.186 -1.144 1.00 . A A . 20 TRP CE2 1 1 3 883 1 1 20 TRP CE3 C -4.131 -12.631 0.667 1.00 . A A . 20 TRP CE3 1 1 3 884 1 1 20 TRP CG C -5.450 -10.418 0.288 1.00 . A A . 20 TRP CG 1 1 3 885 1 1 20 TRP CH2 C -4.596 -14.289 -1.038 1.00 . A A . 20 TRP CH2 1 1 3 886 1 1 20 TRP CZ2 C -5.465 -13.453 -1.685 1.00 . A A . 20 TRP CZ2 1 1 3 887 1 1 20 TRP CZ3 C -3.933 -13.888 0.129 1.00 . A A . 20 TRP CZ3 1 1 3 888 1 1 20 TRP H H -7.335 -8.404 1.636 1.00 . A A . 20 TRP H 1 1 3 889 1 1 20 TRP HA H -6.089 -10.690 2.893 1.00 . A A . 20 TRP HA 1 1 3 890 1 1 20 TRP HB2 H -5.019 -8.521 1.081 1.00 . A A . 20 TRP HB2 1 1 3 891 1 1 20 TRP HB3 H -4.029 -9.830 1.720 1.00 . A A . 20 TRP HB3 1 1 3 892 1 1 20 TRP HD1 H -6.837 -9.150 -0.789 1.00 . A A . 20 TRP HD1 1 1 3 893 1 1 20 TRP HE1 H -7.036 -11.174 -2.368 1.00 . A A . 20 TRP HE1 1 1 3 894 1 1 20 TRP HE3 H -3.610 -12.339 1.567 1.00 . A A . 20 TRP HE3 1 1 3 895 1 1 20 TRP HH2 H -4.411 -15.280 -1.423 1.00 . A A . 20 TRP HH2 1 1 3 896 1 1 20 TRP HZ2 H -5.968 -13.777 -2.585 1.00 . A A . 20 TRP HZ2 1 1 3 897 1 1 20 TRP HZ3 H -3.255 -14.578 0.610 1.00 . A A . 20 TRP HZ3 1 1 3 898 1 1 20 TRP N N -7.260 -9.083 2.339 1.00 . A A . 20 TRP N 1 1 3 899 1 1 20 TRP NE1 N -6.463 -11.158 -1.572 1.00 . A A . 20 TRP NE1 1 1 3 900 1 1 20 TRP O O -4.572 -7.975 3.680 1.00 . A A . 20 TRP O 1 1 4 901 1 1 1 MET C C 3.100 -0.883 -0.790 1.00 . A A . 1 MET C 1 1 4 902 1 1 1 MET CA C 1.969 0.140 -0.834 1.00 . A A . 1 MET CA 1 1 4 903 1 1 1 MET CB C 2.546 1.550 -0.964 1.00 . A A . 1 MET CB 1 1 4 904 1 1 1 MET CE C 3.442 4.473 -3.040 1.00 . A A . 1 MET CE 1 1 4 905 1 1 1 MET CG C 3.216 1.811 -2.303 1.00 . A A . 1 MET CG 1 1 4 906 1 1 1 MET H1 H 1.549 0.134 1.241 1.00 . A A . 1 MET H1 1 1 4 907 1 1 1 MET HA H 1.346 -0.066 -1.692 1.00 . A A . 1 MET HA 1 1 4 908 1 1 1 MET HB2 H 1.747 2.266 -0.841 1.00 . A A . 1 MET HB2 1 1 4 909 1 1 1 MET HB3 H 3.277 1.701 -0.185 1.00 . A A . 1 MET HB3 1 1 4 910 1 1 1 MET HE1 H 3.491 5.375 -2.448 1.00 . A A . 1 MET HE1 1 1 4 911 1 1 1 MET HE2 H 3.851 4.664 -4.021 1.00 . A A . 1 MET HE2 1 1 4 912 1 1 1 MET HE3 H 2.412 4.160 -3.134 1.00 . A A . 1 MET HE3 1 1 4 913 1 1 1 MET HG2 H 3.744 0.920 -2.607 1.00 . A A . 1 MET HG2 1 1 4 914 1 1 1 MET HG3 H 2.454 2.041 -3.033 1.00 . A A . 1 MET HG3 1 1 4 915 1 1 1 MET N N 1.133 0.042 0.358 1.00 . A A . 1 MET N 1 1 4 916 1 1 1 MET O O 4.274 -0.530 -0.901 1.00 . A A . 1 MET O 1 1 4 917 1 1 1 MET SD S 4.387 3.181 -2.239 1.00 . A A . 1 MET SD 1 1 4 918 1 1 2 THR C C 3.517 -4.224 -1.700 1.00 . A A . 2 THR C 1 1 4 919 1 1 2 THR CA C 3.723 -3.225 -0.567 1.00 . A A . 2 THR CA 1 1 4 920 1 1 2 THR CB C 3.658 -3.972 0.779 1.00 . A A . 2 THR CB 1 1 4 921 1 1 2 THR CG2 C 2.361 -4.756 0.901 1.00 . A A . 2 THR CG2 1 1 4 922 1 1 2 THR H H 1.787 -2.370 -0.545 1.00 . A A . 2 THR H 1 1 4 923 1 1 2 THR HA H 4.704 -2.784 -0.663 1.00 . A A . 2 THR HA 1 1 4 924 1 1 2 THR HB H 3.700 -3.246 1.578 1.00 . A A . 2 THR HB 1 1 4 925 1 1 2 THR HG1 H 4.617 -5.644 0.363 1.00 . A A . 2 THR HG1 1 1 4 926 1 1 2 THR HG21 H 1.523 -4.091 0.754 1.00 . A A . 2 THR HG21 1 1 4 927 1 1 2 THR HG22 H 2.299 -5.200 1.884 1.00 . A A . 2 THR HG22 1 1 4 928 1 1 2 THR HG23 H 2.339 -5.534 0.152 1.00 . A A . 2 THR HG23 1 1 4 929 1 1 2 THR N N 2.738 -2.152 -0.627 1.00 . A A . 2 THR N 1 1 4 930 1 1 2 THR O O 4.467 -4.850 -2.167 1.00 . A A . 2 THR O 1 1 4 931 1 1 2 THR OG1 O 4.773 -4.862 0.899 1.00 . A A . 2 THR OG1 1 1 4 932 1 1 3 GLU C C 0.696 -4.829 -3.968 1.00 . A A . 3 GLU C 1 1 4 933 1 1 3 GLU CA C 1.940 -5.292 -3.216 1.00 . A A . 3 GLU CA 1 1 4 934 1 1 3 GLU CB C 1.719 -6.700 -2.661 1.00 . A A . 3 GLU CB 1 1 4 935 1 1 3 GLU CD C 1.092 -9.091 -3.182 1.00 . A A . 3 GLU CD 1 1 4 936 1 1 3 GLU CG C 1.068 -7.650 -3.652 1.00 . A A . 3 GLU CG 1 1 4 937 1 1 3 GLU H H 1.554 -3.840 -1.724 1.00 . A A . 3 GLU H 1 1 4 938 1 1 3 GLU HA H 2.774 -5.312 -3.901 1.00 . A A . 3 GLU HA 1 1 4 939 1 1 3 GLU HB2 H 2.674 -7.114 -2.371 1.00 . A A . 3 GLU HB2 1 1 4 940 1 1 3 GLU HB3 H 1.086 -6.635 -1.788 1.00 . A A . 3 GLU HB3 1 1 4 941 1 1 3 GLU HG2 H 0.040 -7.351 -3.795 1.00 . A A . 3 GLU HG2 1 1 4 942 1 1 3 GLU HG3 H 1.594 -7.585 -4.593 1.00 . A A . 3 GLU HG3 1 1 4 943 1 1 3 GLU N N 2.269 -4.368 -2.137 1.00 . A A . 3 GLU N 1 1 4 944 1 1 3 GLU O O 0.764 -4.478 -5.146 1.00 . A A . 3 GLU O 1 1 4 945 1 1 3 GLU OE1 O 0.976 -9.318 -1.959 1.00 . A A . 3 GLU OE1 1 1 4 946 1 1 3 GLU OE2 O 1.227 -9.992 -4.036 1.00 . A A . 3 GLU OE2 1 1 4 947 1 1 4 TYR C C -2.179 -3.093 -3.286 1.00 . A A . 4 TYR C 1 1 4 948 1 1 4 TYR CA C -1.700 -4.414 -3.881 1.00 . A A . 4 TYR CA 1 1 4 949 1 1 4 TYR CB C -2.767 -5.492 -3.681 1.00 . A A . 4 TYR CB 1 1 4 950 1 1 4 TYR CD1 C -3.043 -5.433 -1.171 1.00 . A A . 4 TYR CD1 1 1 4 951 1 1 4 TYR CD2 C -2.347 -7.478 -2.179 1.00 . A A . 4 TYR CD2 1 1 4 952 1 1 4 TYR CE1 C -2.999 -6.027 0.075 1.00 . A A . 4 TYR CE1 1 1 4 953 1 1 4 TYR CE2 C -2.301 -8.080 -0.936 1.00 . A A . 4 TYR CE2 1 1 4 954 1 1 4 TYR CG C -2.718 -6.146 -2.318 1.00 . A A . 4 TYR CG 1 1 4 955 1 1 4 TYR CZ C -2.628 -7.350 0.188 1.00 . A A . 4 TYR CZ 1 1 4 956 1 1 4 TYR H H -0.431 -5.120 -2.343 1.00 . A A . 4 TYR H 1 1 4 957 1 1 4 TYR HA H -1.533 -4.279 -4.940 1.00 . A A . 4 TYR HA 1 1 4 958 1 1 4 TYR HB2 H -3.743 -5.049 -3.800 1.00 . A A . 4 TYR HB2 1 1 4 959 1 1 4 TYR HB3 H -2.633 -6.264 -4.425 1.00 . A A . 4 TYR HB3 1 1 4 960 1 1 4 TYR HD1 H -3.333 -4.396 -1.263 1.00 . A A . 4 TYR HD1 1 1 4 961 1 1 4 TYR HD2 H -2.092 -8.047 -3.061 1.00 . A A . 4 TYR HD2 1 1 4 962 1 1 4 TYR HE1 H -3.254 -5.455 0.956 1.00 . A A . 4 TYR HE1 1 1 4 963 1 1 4 TYR HE2 H -2.011 -9.117 -0.848 1.00 . A A . 4 TYR HE2 1 1 4 964 1 1 4 TYR HH H -2.575 -7.268 2.108 1.00 . A A . 4 TYR HH 1 1 4 965 1 1 4 TYR N N -0.440 -4.830 -3.279 1.00 . A A . 4 TYR N 1 1 4 966 1 1 4 TYR O O -2.959 -2.367 -3.901 1.00 . A A . 4 TYR O 1 1 4 967 1 1 4 TYR OH O -2.584 -7.946 1.428 1.00 . A A . 4 TYR OH 1 1 4 968 1 1 5 LYS C C -1.630 -0.334 -2.201 1.00 . A A . 5 LYS C 1 1 4 969 1 1 5 LYS CA C -2.079 -1.554 -1.403 1.00 . A A . 5 LYS CA 1 1 4 970 1 1 5 LYS CB C -1.466 -1.513 -0.001 1.00 . A A . 5 LYS CB 1 1 4 971 1 1 5 LYS CD C -1.204 -2.973 2.026 1.00 . A A . 5 LYS CD 1 1 4 972 1 1 5 LYS CE C -0.960 -1.986 3.157 1.00 . A A . 5 LYS CE 1 1 4 973 1 1 5 LYS CG C -2.173 -2.413 0.998 1.00 . A A . 5 LYS CG 1 1 4 974 1 1 5 LYS H H -1.084 -3.407 -1.643 1.00 . A A . 5 LYS H 1 1 4 975 1 1 5 LYS HA H -3.154 -1.536 -1.316 1.00 . A A . 5 LYS HA 1 1 4 976 1 1 5 LYS HB2 H -0.433 -1.822 -0.064 1.00 . A A . 5 LYS HB2 1 1 4 977 1 1 5 LYS HB3 H -1.507 -0.499 0.368 1.00 . A A . 5 LYS HB3 1 1 4 978 1 1 5 LYS HD2 H -1.617 -3.881 2.440 1.00 . A A . 5 LYS HD2 1 1 4 979 1 1 5 LYS HD3 H -0.264 -3.191 1.541 1.00 . A A . 5 LYS HD3 1 1 4 980 1 1 5 LYS HE2 H -0.279 -1.224 2.811 1.00 . A A . 5 LYS HE2 1 1 4 981 1 1 5 LYS HE3 H -1.901 -1.531 3.430 1.00 . A A . 5 LYS HE3 1 1 4 982 1 1 5 LYS HG2 H -2.933 -1.841 1.509 1.00 . A A . 5 LYS HG2 1 1 4 983 1 1 5 LYS HG3 H -2.633 -3.233 0.466 1.00 . A A . 5 LYS HG3 1 1 4 984 1 1 5 LYS HZ1 H -0.362 -1.988 5.159 1.00 . A A . 5 LYS HZ1 1 1 4 985 1 1 5 LYS HZ2 H 0.597 -2.956 4.156 1.00 . A A . 5 LYS HZ2 1 1 4 986 1 1 5 LYS HZ3 H -0.944 -3.481 4.616 1.00 . A A . 5 LYS HZ3 1 1 4 987 1 1 5 LYS N N -1.703 -2.787 -2.083 1.00 . A A . 5 LYS N 1 1 4 988 1 1 5 LYS NZ N -0.376 -2.649 4.356 1.00 . A A . 5 LYS NZ 1 1 4 989 1 1 5 LYS O O -2.112 0.778 -1.979 1.00 . A A . 5 LYS O 1 1 4 990 1 1 6 LEU C C -1.127 0.809 -5.136 1.00 . A A . 6 LEU C 1 1 4 991 1 1 6 LEU CA C -0.192 0.534 -3.963 1.00 . A A . 6 LEU CA 1 1 4 992 1 1 6 LEU CB C 1.205 0.188 -4.480 1.00 . A A . 6 LEU CB 1 1 4 993 1 1 6 LEU CD1 C 1.360 -0.669 -6.831 1.00 . A A . 6 LEU CD1 1 1 4 994 1 1 6 LEU CD2 C 2.524 -1.885 -4.980 1.00 . A A . 6 LEU CD2 1 1 4 995 1 1 6 LEU CG C 1.305 -1.058 -5.362 1.00 . A A . 6 LEU CG 1 1 4 996 1 1 6 LEU H H -0.359 -1.455 -3.261 1.00 . A A . 6 LEU H 1 1 4 997 1 1 6 LEU HA H -0.131 1.422 -3.352 1.00 . A A . 6 LEU HA 1 1 4 998 1 1 6 LEU HB2 H 1.563 1.028 -5.055 1.00 . A A . 6 LEU HB2 1 1 4 999 1 1 6 LEU HB3 H 1.847 0.040 -3.623 1.00 . A A . 6 LEU HB3 1 1 4 1000 1 1 6 LEU HD11 H 2.355 -0.330 -7.076 1.00 . A A . 6 LEU HD11 1 1 4 1001 1 1 6 LEU HD12 H 0.653 0.124 -7.020 1.00 . A A . 6 LEU HD12 1 1 4 1002 1 1 6 LEU HD13 H 1.111 -1.526 -7.439 1.00 . A A . 6 LEU HD13 1 1 4 1003 1 1 6 LEU HD21 H 2.346 -2.372 -4.034 1.00 . A A . 6 LEU HD21 1 1 4 1004 1 1 6 LEU HD22 H 3.385 -1.238 -4.897 1.00 . A A . 6 LEU HD22 1 1 4 1005 1 1 6 LEU HD23 H 2.706 -2.630 -5.742 1.00 . A A . 6 LEU HD23 1 1 4 1006 1 1 6 LEU HG H 0.425 -1.669 -5.212 1.00 . A A . 6 LEU HG 1 1 4 1007 1 1 6 LEU N N -0.705 -0.548 -3.130 1.00 . A A . 6 LEU N 1 1 4 1008 1 1 6 LEU O O -1.022 1.840 -5.800 1.00 . A A . 6 LEU O 1 1 4 1009 1 1 7 VAL C C -4.424 0.160 -5.945 1.00 . A A . 7 VAL C 1 1 4 1010 1 1 7 VAL CA C -3.002 0.023 -6.476 1.00 . A A . 7 VAL CA 1 1 4 1011 1 1 7 VAL CB C -2.938 -1.177 -7.439 1.00 . A A . 7 VAL CB 1 1 4 1012 1 1 7 VAL CG1 C -3.967 -1.026 -8.550 1.00 . A A . 7 VAL CG1 1 1 4 1013 1 1 7 VAL CG2 C -1.538 -1.325 -8.015 1.00 . A A . 7 VAL CG2 1 1 4 1014 1 1 7 VAL H H -2.080 -0.921 -4.821 1.00 . A A . 7 VAL H 1 1 4 1015 1 1 7 VAL HA H -2.746 0.915 -7.029 1.00 . A A . 7 VAL HA 1 1 4 1016 1 1 7 VAL HB H -3.172 -2.073 -6.882 1.00 . A A . 7 VAL HB 1 1 4 1017 1 1 7 VAL HG11 H -4.879 -1.530 -8.266 1.00 . A A . 7 VAL HG11 1 1 4 1018 1 1 7 VAL HG12 H -4.169 0.023 -8.713 1.00 . A A . 7 VAL HG12 1 1 4 1019 1 1 7 VAL HG13 H -3.582 -1.464 -9.459 1.00 . A A . 7 VAL HG13 1 1 4 1020 1 1 7 VAL HG21 H -1.600 -1.725 -9.016 1.00 . A A . 7 VAL HG21 1 1 4 1021 1 1 7 VAL HG22 H -1.057 -0.358 -8.042 1.00 . A A . 7 VAL HG22 1 1 4 1022 1 1 7 VAL HG23 H -0.962 -1.996 -7.394 1.00 . A A . 7 VAL HG23 1 1 4 1023 1 1 7 VAL N N -2.045 -0.120 -5.385 1.00 . A A . 7 VAL N 1 1 4 1024 1 1 7 VAL O O -5.118 1.132 -6.243 1.00 . A A . 7 VAL O 1 1 4 1025 1 1 8 VAL C C -6.357 0.340 -3.593 1.00 . A A . 8 VAL C 1 1 4 1026 1 1 8 VAL CA C -6.192 -0.809 -4.582 1.00 . A A . 8 VAL CA 1 1 4 1027 1 1 8 VAL CB C -6.508 -2.136 -3.866 1.00 . A A . 8 VAL CB 1 1 4 1028 1 1 8 VAL CG1 C -7.910 -2.106 -3.278 1.00 . A A . 8 VAL CG1 1 1 4 1029 1 1 8 VAL CG2 C -6.347 -3.308 -4.823 1.00 . A A . 8 VAL CG2 1 1 4 1030 1 1 8 VAL H H -4.253 -1.569 -4.956 1.00 . A A . 8 VAL H 1 1 4 1031 1 1 8 VAL HA H -6.900 -0.681 -5.388 1.00 . A A . 8 VAL HA 1 1 4 1032 1 1 8 VAL HB H -5.804 -2.261 -3.056 1.00 . A A . 8 VAL HB 1 1 4 1033 1 1 8 VAL HG11 H -7.855 -2.253 -2.209 1.00 . A A . 8 VAL HG11 1 1 4 1034 1 1 8 VAL HG12 H -8.368 -1.150 -3.488 1.00 . A A . 8 VAL HG12 1 1 4 1035 1 1 8 VAL HG13 H -8.502 -2.894 -3.719 1.00 . A A . 8 VAL HG13 1 1 4 1036 1 1 8 VAL HG21 H -7.086 -4.062 -4.596 1.00 . A A . 8 VAL HG21 1 1 4 1037 1 1 8 VAL HG22 H -6.482 -2.964 -5.838 1.00 . A A . 8 VAL HG22 1 1 4 1038 1 1 8 VAL HG23 H -5.358 -3.729 -4.715 1.00 . A A . 8 VAL HG23 1 1 4 1039 1 1 8 VAL N N -4.853 -0.820 -5.156 1.00 . A A . 8 VAL N 1 1 4 1040 1 1 8 VAL O O -7.229 1.193 -3.756 1.00 . A A . 8 VAL O 1 1 4 1041 1 1 9 VAL C C -4.901 2.683 -2.050 1.00 . A A . 9 VAL C 1 1 4 1042 1 1 9 VAL CA C -5.561 1.402 -1.552 1.00 . A A . 9 VAL CA 1 1 4 1043 1 1 9 VAL CB C -4.869 0.954 -0.251 1.00 . A A . 9 VAL CB 1 1 4 1044 1 1 9 VAL CG1 C -5.110 1.967 0.858 1.00 . A A . 9 VAL CG1 1 1 4 1045 1 1 9 VAL CG2 C -5.356 -0.427 0.162 1.00 . A A . 9 VAL CG2 1 1 4 1046 1 1 9 VAL H H -4.837 -0.351 -2.492 1.00 . A A . 9 VAL H 1 1 4 1047 1 1 9 VAL HA H -6.599 1.605 -1.332 1.00 . A A . 9 VAL HA 1 1 4 1048 1 1 9 VAL HB H -3.806 0.898 -0.433 1.00 . A A . 9 VAL HB 1 1 4 1049 1 1 9 VAL HG11 H -4.471 2.825 0.706 1.00 . A A . 9 VAL HG11 1 1 4 1050 1 1 9 VAL HG12 H -6.144 2.279 0.842 1.00 . A A . 9 VAL HG12 1 1 4 1051 1 1 9 VAL HG13 H -4.884 1.516 1.813 1.00 . A A . 9 VAL HG13 1 1 4 1052 1 1 9 VAL HG21 H -5.153 -1.132 -0.629 1.00 . A A . 9 VAL HG21 1 1 4 1053 1 1 9 VAL HG22 H -4.842 -0.735 1.061 1.00 . A A . 9 VAL HG22 1 1 4 1054 1 1 9 VAL HG23 H -6.420 -0.393 0.350 1.00 . A A . 9 VAL HG23 1 1 4 1055 1 1 9 VAL N N -5.511 0.357 -2.568 1.00 . A A . 9 VAL N 1 1 4 1056 1 1 9 VAL O O -5.232 3.779 -1.600 1.00 . A A . 9 VAL O 1 1 4 1057 1 1 10 GLY C C -4.209 4.635 -4.259 1.00 . A A . 10 GLY C 1 1 4 1058 1 1 10 GLY CA C -3.275 3.691 -3.529 1.00 . A A . 10 GLY CA 1 1 4 1059 1 1 10 GLY H H -3.744 1.638 -3.306 1.00 . A A . 10 GLY H 1 1 4 1060 1 1 10 GLY HA2 H -2.798 4.226 -2.721 1.00 . A A . 10 GLY HA2 1 1 4 1061 1 1 10 GLY HA3 H -2.517 3.350 -4.218 1.00 . A A . 10 GLY HA3 1 1 4 1062 1 1 10 GLY N N -3.966 2.537 -2.984 1.00 . A A . 10 GLY N 1 1 4 1063 1 1 10 GLY O O -3.883 5.803 -4.468 1.00 . A A . 10 GLY O 1 1 4 1064 1 1 11 ALA C C -7.207 5.747 -4.388 1.00 . A A . 11 ALA C 1 1 4 1065 1 1 11 ALA CA C -6.358 4.935 -5.360 1.00 . A A . 11 ALA CA 1 1 4 1066 1 1 11 ALA CB C -7.244 4.048 -6.223 1.00 . A A . 11 ALA CB 1 1 4 1067 1 1 11 ALA H H -5.576 3.190 -4.454 1.00 . A A . 11 ALA H 1 1 4 1068 1 1 11 ALA HA H -5.826 5.613 -6.012 1.00 . A A . 11 ALA HA 1 1 4 1069 1 1 11 ALA HB1 H -8.172 4.561 -6.431 1.00 . A A . 11 ALA HB1 1 1 4 1070 1 1 11 ALA HB2 H -6.737 3.829 -7.151 1.00 . A A . 11 ALA HB2 1 1 4 1071 1 1 11 ALA HB3 H -7.450 3.127 -5.699 1.00 . A A . 11 ALA HB3 1 1 4 1072 1 1 11 ALA N N -5.374 4.128 -4.650 1.00 . A A . 11 ALA N 1 1 4 1073 1 1 11 ALA O O -7.480 6.924 -4.621 1.00 . A A . 11 ALA O 1 1 4 1074 1 1 12 GLY C C -9.060 4.831 -1.312 1.00 . A A . 12 GLY C 1 1 4 1075 1 1 12 GLY CA C -8.438 5.790 -2.307 1.00 . A A . 12 GLY CA 1 1 4 1076 1 1 12 GLY H H -7.375 4.172 -3.165 1.00 . A A . 12 GLY H 1 1 4 1077 1 1 12 GLY HA2 H -7.821 6.497 -1.773 1.00 . A A . 12 GLY HA2 1 1 4 1078 1 1 12 GLY HA3 H -9.227 6.326 -2.814 1.00 . A A . 12 GLY HA3 1 1 4 1079 1 1 12 GLY N N -7.623 5.111 -3.298 1.00 . A A . 12 GLY N 1 1 4 1080 1 1 12 GLY O O -9.274 5.181 -0.152 1.00 . A A . 12 GLY O 1 1 4 1081 1 1 13 GLY C C -11.186 1.985 -1.505 1.00 . A A . 13 GLY C 1 1 4 1082 1 1 13 GLY CA C -9.954 2.623 -0.894 1.00 . A A . 13 GLY CA 1 1 4 1083 1 1 13 GLY H H -9.161 3.393 -2.701 1.00 . A A . 13 GLY H 1 1 4 1084 1 1 13 GLY HA2 H -9.226 1.852 -0.690 1.00 . A A . 13 GLY HA2 1 1 4 1085 1 1 13 GLY HA3 H -10.231 3.098 0.035 1.00 . A A . 13 GLY HA3 1 1 4 1086 1 1 13 GLY N N -9.353 3.616 -1.766 1.00 . A A . 13 GLY N 1 1 4 1087 1 1 13 GLY O O -12.303 2.464 -1.309 1.00 . A A . 13 GLY O 1 1 4 1088 1 1 14 VAL C C -12.716 -0.818 -1.943 1.00 . A A . 14 VAL C 1 1 4 1089 1 1 14 VAL CA C -12.087 0.198 -2.890 1.00 . A A . 14 VAL CA 1 1 4 1090 1 1 14 VAL CB C -11.623 -0.526 -4.168 1.00 . A A . 14 VAL CB 1 1 4 1091 1 1 14 VAL CG1 C -12.815 -1.101 -4.918 1.00 . A A . 14 VAL CG1 1 1 4 1092 1 1 14 VAL CG2 C -10.828 0.418 -5.057 1.00 . A A . 14 VAL CG2 1 1 4 1093 1 1 14 VAL H H -10.070 0.569 -2.368 1.00 . A A . 14 VAL H 1 1 4 1094 1 1 14 VAL HA H -12.834 0.928 -3.166 1.00 . A A . 14 VAL HA 1 1 4 1095 1 1 14 VAL HB H -10.979 -1.344 -3.880 1.00 . A A . 14 VAL HB 1 1 4 1096 1 1 14 VAL HG11 H -12.859 -2.169 -4.758 1.00 . A A . 14 VAL HG11 1 1 4 1097 1 1 14 VAL HG12 H -13.724 -0.644 -4.556 1.00 . A A . 14 VAL HG12 1 1 4 1098 1 1 14 VAL HG13 H -12.706 -0.900 -5.974 1.00 . A A . 14 VAL HG13 1 1 4 1099 1 1 14 VAL HG21 H -10.904 0.096 -6.084 1.00 . A A . 14 VAL HG21 1 1 4 1100 1 1 14 VAL HG22 H -11.224 1.418 -4.962 1.00 . A A . 14 VAL HG22 1 1 4 1101 1 1 14 VAL HG23 H -9.791 0.412 -4.753 1.00 . A A . 14 VAL HG23 1 1 4 1102 1 1 14 VAL N N -10.983 0.902 -2.248 1.00 . A A . 14 VAL N 1 1 4 1103 1 1 14 VAL O O -13.934 -0.981 -1.911 1.00 . A A . 14 VAL O 1 1 4 1104 1 1 15 GLY C C -11.986 -3.903 -0.629 1.00 . A A . 15 GLY C 1 1 4 1105 1 1 15 GLY CA C -12.366 -2.490 -0.232 1.00 . A A . 15 GLY CA 1 1 4 1106 1 1 15 GLY H H -10.912 -1.326 -1.239 1.00 . A A . 15 GLY H 1 1 4 1107 1 1 15 GLY HA2 H -11.956 -2.279 0.745 1.00 . A A . 15 GLY HA2 1 1 4 1108 1 1 15 GLY HA3 H -13.442 -2.420 -0.183 1.00 . A A . 15 GLY HA3 1 1 4 1109 1 1 15 GLY N N -11.874 -1.498 -1.170 1.00 . A A . 15 GLY N 1 1 4 1110 1 1 15 GLY O O -12.596 -4.870 -0.172 1.00 . A A . 15 GLY O 1 1 4 1111 1 1 16 LYS C C -9.274 -5.769 -1.173 1.00 . A A . 16 LYS C 1 1 4 1112 1 1 16 LYS CA C -10.514 -5.328 -1.943 1.00 . A A . 16 LYS CA 1 1 4 1113 1 1 16 LYS CB C -10.209 -5.285 -3.442 1.00 . A A . 16 LYS CB 1 1 4 1114 1 1 16 LYS CD C -12.586 -5.381 -4.246 1.00 . A A . 16 LYS CD 1 1 4 1115 1 1 16 LYS CE C -13.554 -4.834 -3.208 1.00 . A A . 16 LYS CE 1 1 4 1116 1 1 16 LYS CG C -11.285 -4.596 -4.263 1.00 . A A . 16 LYS CG 1 1 4 1117 1 1 16 LYS H H -10.528 -3.216 -1.812 1.00 . A A . 16 LYS H 1 1 4 1118 1 1 16 LYS HA H -11.305 -6.041 -1.767 1.00 . A A . 16 LYS HA 1 1 4 1119 1 1 16 LYS HB2 H -9.278 -4.757 -3.592 1.00 . A A . 16 LYS HB2 1 1 4 1120 1 1 16 LYS HB3 H -10.101 -6.297 -3.805 1.00 . A A . 16 LYS HB3 1 1 4 1121 1 1 16 LYS HD2 H -13.048 -5.317 -5.220 1.00 . A A . 16 LYS HD2 1 1 4 1122 1 1 16 LYS HD3 H -12.370 -6.415 -4.016 1.00 . A A . 16 LYS HD3 1 1 4 1123 1 1 16 LYS HE2 H -13.392 -5.353 -2.275 1.00 . A A . 16 LYS HE2 1 1 4 1124 1 1 16 LYS HE3 H -13.358 -3.781 -3.072 1.00 . A A . 16 LYS HE3 1 1 4 1125 1 1 16 LYS HG2 H -11.465 -3.614 -3.852 1.00 . A A . 16 LYS HG2 1 1 4 1126 1 1 16 LYS HG3 H -10.943 -4.505 -5.284 1.00 . A A . 16 LYS HG3 1 1 4 1127 1 1 16 LYS HZ1 H -15.509 -5.487 -2.867 1.00 . A A . 16 LYS HZ1 1 1 4 1128 1 1 16 LYS HZ2 H -15.022 -5.595 -4.484 1.00 . A A . 16 LYS HZ2 1 1 4 1129 1 1 16 LYS HZ3 H -15.409 -4.090 -3.816 1.00 . A A . 16 LYS HZ3 1 1 4 1130 1 1 16 LYS N N -10.976 -4.024 -1.483 1.00 . A A . 16 LYS N 1 1 4 1131 1 1 16 LYS NZ N -14.973 -5.014 -3.622 1.00 . A A . 16 LYS NZ 1 1 4 1132 1 1 16 LYS O O -9.284 -6.798 -0.497 1.00 . A A . 16 LYS O 1 1 4 1133 1 1 17 SER C C -7.199 -5.545 0.890 1.00 . A A . 17 SER C 1 1 4 1134 1 1 17 SER CA C -6.957 -5.296 -0.595 1.00 . A A . 17 SER CA 1 1 4 1135 1 1 17 SER CB C -5.954 -4.155 -0.776 1.00 . A A . 17 SER CB 1 1 4 1136 1 1 17 SER H H -8.260 -4.178 -1.835 1.00 . A A . 17 SER H 1 1 4 1137 1 1 17 SER HA H -6.552 -6.194 -1.038 1.00 . A A . 17 SER HA 1 1 4 1138 1 1 17 SER HB2 H -5.353 -4.342 -1.653 1.00 . A A . 17 SER HB2 1 1 4 1139 1 1 17 SER HB3 H -6.490 -3.224 -0.899 1.00 . A A . 17 SER HB3 1 1 4 1140 1 1 17 SER HG H -4.931 -3.118 0.534 1.00 . A A . 17 SER HG 1 1 4 1141 1 1 17 SER N N -8.206 -4.985 -1.280 1.00 . A A . 17 SER N 1 1 4 1142 1 1 17 SER O O -6.480 -6.314 1.528 1.00 . A A . 17 SER O 1 1 4 1143 1 1 17 SER OG O -5.099 -4.045 0.348 1.00 . A A . 17 SER OG 1 1 4 1144 1 1 18 HIS C C -8.704 -6.510 3.216 1.00 . A A . 18 HIS C 1 1 4 1145 1 1 18 HIS CA C -8.557 -5.037 2.846 1.00 . A A . 18 HIS CA 1 1 4 1146 1 1 18 HIS CB C -9.851 -4.288 3.164 1.00 . A A . 18 HIS CB 1 1 4 1147 1 1 18 HIS CD2 C -9.935 -1.999 4.382 1.00 . A A . 18 HIS CD2 1 1 4 1148 1 1 18 HIS CE1 C -9.089 -0.756 2.787 1.00 . A A . 18 HIS CE1 1 1 4 1149 1 1 18 HIS CG C -9.662 -2.812 3.335 1.00 . A A . 18 HIS CG 1 1 4 1150 1 1 18 HIS H H -8.754 -4.289 0.876 1.00 . A A . 18 HIS H 1 1 4 1151 1 1 18 HIS HA H -7.753 -4.612 3.427 1.00 . A A . 18 HIS HA 1 1 4 1152 1 1 18 HIS HB2 H -10.554 -4.440 2.359 1.00 . A A . 18 HIS HB2 1 1 4 1153 1 1 18 HIS HB3 H -10.269 -4.678 4.081 1.00 . A A . 18 HIS HB3 1 1 4 1154 1 1 18 HIS HD1 H -8.835 -2.297 1.466 1.00 . A A . 18 HIS HD1 1 1 4 1155 1 1 18 HIS HD2 H -10.360 -2.296 5.331 1.00 . A A . 18 HIS HD2 1 1 4 1156 1 1 18 HIS HE1 H -8.723 0.095 2.233 1.00 . A A . 18 HIS HE1 1 1 4 1157 1 1 18 HIS N N -8.218 -4.888 1.436 1.00 . A A . 18 HIS N 1 1 4 1158 1 1 18 HIS ND1 N -9.134 -2.002 2.351 1.00 . A A . 18 HIS ND1 1 1 4 1159 1 1 18 HIS NE2 N -9.570 -0.727 4.017 1.00 . A A . 18 HIS NE2 1 1 4 1160 1 1 18 HIS O O -8.443 -6.904 4.353 1.00 . A A . 18 HIS O 1 1 4 1161 1 1 19 VAL C C -8.012 -9.399 2.948 1.00 . A A . 19 VAL C 1 1 4 1162 1 1 19 VAL CA C -9.306 -8.748 2.473 1.00 . A A . 19 VAL CA 1 1 4 1163 1 1 19 VAL CB C -9.787 -9.460 1.195 1.00 . A A . 19 VAL CB 1 1 4 1164 1 1 19 VAL CG1 C -9.951 -10.952 1.443 1.00 . A A . 19 VAL CG1 1 1 4 1165 1 1 19 VAL CG2 C -11.089 -8.847 0.702 1.00 . A A . 19 VAL CG2 1 1 4 1166 1 1 19 VAL H H -9.316 -6.946 1.364 1.00 . A A . 19 VAL H 1 1 4 1167 1 1 19 VAL HA H -10.061 -8.874 3.235 1.00 . A A . 19 VAL HA 1 1 4 1168 1 1 19 VAL HB H -9.038 -9.326 0.428 1.00 . A A . 19 VAL HB 1 1 4 1169 1 1 19 VAL HG11 H -9.000 -11.445 1.307 1.00 . A A . 19 VAL HG11 1 1 4 1170 1 1 19 VAL HG12 H -10.301 -11.113 2.452 1.00 . A A . 19 VAL HG12 1 1 4 1171 1 1 19 VAL HG13 H -10.668 -11.356 0.744 1.00 . A A . 19 VAL HG13 1 1 4 1172 1 1 19 VAL HG21 H -11.883 -9.576 0.780 1.00 . A A . 19 VAL HG21 1 1 4 1173 1 1 19 VAL HG22 H -11.331 -7.985 1.305 1.00 . A A . 19 VAL HG22 1 1 4 1174 1 1 19 VAL HG23 H -10.978 -8.546 -0.329 1.00 . A A . 19 VAL HG23 1 1 4 1175 1 1 19 VAL N N -9.124 -7.319 2.249 1.00 . A A . 19 VAL N 1 1 4 1176 1 1 19 VAL O O -8.007 -10.162 3.914 1.00 . A A . 19 VAL O 1 1 4 1177 1 1 20 TRP C C -4.825 -8.676 3.484 1.00 . A A . 20 TRP C 1 1 4 1178 1 1 20 TRP CA C -5.614 -9.648 2.614 1.00 . A A . 20 TRP CA 1 1 4 1179 1 1 20 TRP CB C -4.821 -9.982 1.350 1.00 . A A . 20 TRP CB 1 1 4 1180 1 1 20 TRP CD1 C -6.347 -10.336 -0.678 1.00 . A A . 20 TRP CD1 1 1 4 1181 1 1 20 TRP CD2 C -5.691 -12.229 0.323 1.00 . A A . 20 TRP CD2 1 1 4 1182 1 1 20 TRP CE2 C -6.518 -12.561 -0.768 1.00 . A A . 20 TRP CE2 1 1 4 1183 1 1 20 TRP CE3 C -5.157 -13.260 1.101 1.00 . A A . 20 TRP CE3 1 1 4 1184 1 1 20 TRP CG C -5.594 -10.801 0.362 1.00 . A A . 20 TRP CG 1 1 4 1185 1 1 20 TRP CH2 C -6.289 -14.868 -0.317 1.00 . A A . 20 TRP CH2 1 1 4 1186 1 1 20 TRP CZ2 C -6.824 -13.879 -1.096 1.00 . A A . 20 TRP CZ2 1 1 4 1187 1 1 20 TRP CZ3 C -5.462 -14.568 0.774 1.00 . A A . 20 TRP CZ3 1 1 4 1188 1 1 20 TRP H H -6.984 -8.479 1.501 1.00 . A A . 20 TRP H 1 1 4 1189 1 1 20 TRP HA H -5.783 -10.557 3.173 1.00 . A A . 20 TRP HA 1 1 4 1190 1 1 20 TRP HB2 H -4.527 -9.063 0.864 1.00 . A A . 20 TRP HB2 1 1 4 1191 1 1 20 TRP HB3 H -3.936 -10.538 1.626 1.00 . A A . 20 TRP HB3 1 1 4 1192 1 1 20 TRP HD1 H -6.477 -9.291 -0.914 1.00 . A A . 20 TRP HD1 1 1 4 1193 1 1 20 TRP HE1 H -7.488 -11.312 -2.147 1.00 . A A . 20 TRP HE1 1 1 4 1194 1 1 20 TRP HE3 H -4.518 -13.049 1.946 1.00 . A A . 20 TRP HE3 1 1 4 1195 1 1 20 TRP HH2 H -6.500 -15.903 -0.536 1.00 . A A . 20 TRP HH2 1 1 4 1196 1 1 20 TRP HZ2 H -7.459 -14.126 -1.934 1.00 . A A . 20 TRP HZ2 1 1 4 1197 1 1 20 TRP HZ3 H -5.059 -15.378 1.364 1.00 . A A . 20 TRP HZ3 1 1 4 1198 1 1 20 TRP N N -6.916 -9.093 2.262 1.00 . A A . 20 TRP N 1 1 4 1199 1 1 20 TRP NE1 N -6.907 -11.389 -1.361 1.00 . A A . 20 TRP NE1 1 1 4 1200 1 1 20 TRP O O -5.193 -7.509 3.619 1.00 . A A . 20 TRP O 1 1 5 1201 1 1 1 MET C C 3.187 -1.034 -1.112 1.00 . A A . 1 MET C 1 1 5 1202 1 1 1 MET CA C 2.136 0.071 -1.116 1.00 . A A . 1 MET CA 1 1 5 1203 1 1 1 MET CB C 2.815 1.438 -1.220 1.00 . A A . 1 MET CB 1 1 5 1204 1 1 1 MET CE C 5.378 3.278 -3.092 1.00 . A A . 1 MET CE 1 1 5 1205 1 1 1 MET CG C 3.006 1.915 -2.650 1.00 . A A . 1 MET CG 1 1 5 1206 1 1 1 MET H1 H 1.702 0.245 0.948 1.00 . A A . 1 MET H1 1 1 5 1207 1 1 1 MET HA H 1.490 -0.066 -1.971 1.00 . A A . 1 MET HA 1 1 5 1208 1 1 1 MET HB2 H 2.213 2.166 -0.697 1.00 . A A . 1 MET HB2 1 1 5 1209 1 1 1 MET HB3 H 3.786 1.381 -0.750 1.00 . A A . 1 MET HB3 1 1 5 1210 1 1 1 MET HE1 H 5.498 2.249 -3.401 1.00 . A A . 1 MET HE1 1 1 5 1211 1 1 1 MET HE2 H 5.711 3.932 -3.884 1.00 . A A . 1 MET HE2 1 1 5 1212 1 1 1 MET HE3 H 5.965 3.459 -2.204 1.00 . A A . 1 MET HE3 1 1 5 1213 1 1 1 MET HG2 H 3.698 1.252 -3.148 1.00 . A A . 1 MET HG2 1 1 5 1214 1 1 1 MET HG3 H 2.052 1.882 -3.156 1.00 . A A . 1 MET HG3 1 1 5 1215 1 1 1 MET N N 1.309 0.006 0.083 1.00 . A A . 1 MET N 1 1 5 1216 1 1 1 MET O O 4.377 -0.773 -1.294 1.00 . A A . 1 MET O 1 1 5 1217 1 1 1 MET SD S 3.651 3.596 -2.741 1.00 . A A . 1 MET SD 1 1 5 1218 1 1 2 THR C C 3.304 -4.410 -1.975 1.00 . A A . 2 THR C 1 1 5 1219 1 1 2 THR CA C 3.645 -3.412 -0.874 1.00 . A A . 2 THR CA 1 1 5 1220 1 1 2 THR CB C 3.596 -4.132 0.487 1.00 . A A . 2 THR CB 1 1 5 1221 1 1 2 THR CG2 C 2.251 -4.811 0.693 1.00 . A A . 2 THR CG2 1 1 5 1222 1 1 2 THR H H 1.782 -2.412 -0.765 1.00 . A A . 2 THR H 1 1 5 1223 1 1 2 THR HA H 4.650 -3.048 -1.029 1.00 . A A . 2 THR HA 1 1 5 1224 1 1 2 THR HB H 3.736 -3.399 1.270 1.00 . A A . 2 THR HB 1 1 5 1225 1 1 2 THR HG1 H 5.482 -4.690 0.343 1.00 . A A . 2 THR HG1 1 1 5 1226 1 1 2 THR HG21 H 1.458 -4.095 0.538 1.00 . A A . 2 THR HG21 1 1 5 1227 1 1 2 THR HG22 H 2.193 -5.199 1.699 1.00 . A A . 2 THR HG22 1 1 5 1228 1 1 2 THR HG23 H 2.146 -5.622 -0.013 1.00 . A A . 2 THR HG23 1 1 5 1229 1 1 2 THR N N 2.742 -2.269 -0.903 1.00 . A A . 2 THR N 1 1 5 1230 1 1 2 THR O O 4.182 -5.102 -2.490 1.00 . A A . 2 THR O 1 1 5 1231 1 1 2 THR OG1 O 4.644 -5.104 0.565 1.00 . A A . 2 THR OG1 1 1 5 1232 1 1 3 GLU C C 0.308 -4.863 -4.048 1.00 . A A . 3 GLU C 1 1 5 1233 1 1 3 GLU CA C 1.571 -5.392 -3.373 1.00 . A A . 3 GLU CA 1 1 5 1234 1 1 3 GLU CB C 1.305 -6.779 -2.784 1.00 . A A . 3 GLU CB 1 1 5 1235 1 1 3 GLU CD C 0.376 -9.098 -3.154 1.00 . A A . 3 GLU CD 1 1 5 1236 1 1 3 GLU CG C 0.547 -7.703 -3.722 1.00 . A A . 3 GLU CG 1 1 5 1237 1 1 3 GLU H H 1.373 -3.900 -1.884 1.00 . A A . 3 GLU H 1 1 5 1238 1 1 3 GLU HA H 2.354 -5.469 -4.112 1.00 . A A . 3 GLU HA 1 1 5 1239 1 1 3 GLU HB2 H 2.250 -7.241 -2.542 1.00 . A A . 3 GLU HB2 1 1 5 1240 1 1 3 GLU HB3 H 0.727 -6.667 -1.879 1.00 . A A . 3 GLU HB3 1 1 5 1241 1 1 3 GLU HG2 H -0.431 -7.284 -3.907 1.00 . A A . 3 GLU HG2 1 1 5 1242 1 1 3 GLU HG3 H 1.089 -7.773 -4.654 1.00 . A A . 3 GLU HG3 1 1 5 1243 1 1 3 GLU N N 2.026 -4.478 -2.332 1.00 . A A . 3 GLU N 1 1 5 1244 1 1 3 GLU O O 0.325 -4.505 -5.226 1.00 . A A . 3 GLU O 1 1 5 1245 1 1 3 GLU OE1 O 1.179 -9.485 -2.280 1.00 . A A . 3 GLU OE1 1 1 5 1246 1 1 3 GLU OE2 O -0.561 -9.804 -3.584 1.00 . A A . 3 GLU OE2 1 1 5 1247 1 1 4 TYR C C -2.425 -2.990 -3.202 1.00 . A A . 4 TYR C 1 1 5 1248 1 1 4 TYR CA C -2.056 -4.336 -3.818 1.00 . A A . 4 TYR CA 1 1 5 1249 1 1 4 TYR CB C -3.163 -5.355 -3.544 1.00 . A A . 4 TYR CB 1 1 5 1250 1 1 4 TYR CD1 C -3.281 -5.263 -1.023 1.00 . A A . 4 TYR CD1 1 1 5 1251 1 1 4 TYR CD2 C -2.764 -7.351 -2.050 1.00 . A A . 4 TYR CD2 1 1 5 1252 1 1 4 TYR CE1 C -3.194 -5.849 0.225 1.00 . A A . 4 TYR CE1 1 1 5 1253 1 1 4 TYR CE2 C -2.676 -7.946 -0.806 1.00 . A A . 4 TYR CE2 1 1 5 1254 1 1 4 TYR CG C -3.068 -6.001 -2.180 1.00 . A A . 4 TYR CG 1 1 5 1255 1 1 4 TYR CZ C -2.891 -7.191 0.328 1.00 . A A . 4 TYR CZ 1 1 5 1256 1 1 4 TYR H H -0.734 -5.117 -2.361 1.00 . A A . 4 TYR H 1 1 5 1257 1 1 4 TYR HA H -1.949 -4.213 -4.886 1.00 . A A . 4 TYR HA 1 1 5 1258 1 1 4 TYR HB2 H -4.121 -4.862 -3.610 1.00 . A A . 4 TYR HB2 1 1 5 1259 1 1 4 TYR HB3 H -3.114 -6.138 -4.287 1.00 . A A . 4 TYR HB3 1 1 5 1260 1 1 4 TYR HD1 H -3.518 -4.212 -1.108 1.00 . A A . 4 TYR HD1 1 1 5 1261 1 1 4 TYR HD2 H -2.596 -7.940 -2.940 1.00 . A A . 4 TYR HD2 1 1 5 1262 1 1 4 TYR HE1 H -3.363 -5.259 1.113 1.00 . A A . 4 TYR HE1 1 1 5 1263 1 1 4 TYR HE2 H -2.439 -8.997 -0.725 1.00 . A A . 4 TYR HE2 1 1 5 1264 1 1 4 TYR HH H -2.375 -8.634 1.489 1.00 . A A . 4 TYR HH 1 1 5 1265 1 1 4 TYR N N -0.784 -4.818 -3.293 1.00 . A A . 4 TYR N 1 1 5 1266 1 1 4 TYR O O -3.208 -2.227 -3.769 1.00 . A A . 4 TYR O 1 1 5 1267 1 1 4 TYR OH O -2.805 -7.779 1.569 1.00 . A A . 4 TYR OH 1 1 5 1268 1 1 5 LYS C C -1.693 -0.256 -2.192 1.00 . A A . 5 LYS C 1 1 5 1269 1 1 5 LYS CA C -2.119 -1.449 -1.342 1.00 . A A . 5 LYS CA 1 1 5 1270 1 1 5 LYS CB C -1.384 -1.420 0.000 1.00 . A A . 5 LYS CB 1 1 5 1271 1 1 5 LYS CD C -1.166 -2.825 2.070 1.00 . A A . 5 LYS CD 1 1 5 1272 1 1 5 LYS CE C -0.360 -1.816 2.874 1.00 . A A . 5 LYS CE 1 1 5 1273 1 1 5 LYS CG C -2.126 -2.137 1.115 1.00 . A A . 5 LYS CG 1 1 5 1274 1 1 5 LYS H H -1.238 -3.352 -1.635 1.00 . A A . 5 LYS H 1 1 5 1275 1 1 5 LYS HA H -3.181 -1.387 -1.163 1.00 . A A . 5 LYS HA 1 1 5 1276 1 1 5 LYS HB2 H -0.419 -1.890 -0.122 1.00 . A A . 5 LYS HB2 1 1 5 1277 1 1 5 LYS HB3 H -1.239 -0.391 0.295 1.00 . A A . 5 LYS HB3 1 1 5 1278 1 1 5 LYS HD2 H -1.731 -3.442 2.753 1.00 . A A . 5 LYS HD2 1 1 5 1279 1 1 5 LYS HD3 H -0.487 -3.444 1.501 1.00 . A A . 5 LYS HD3 1 1 5 1280 1 1 5 LYS HE2 H 0.594 -2.255 3.125 1.00 . A A . 5 LYS HE2 1 1 5 1281 1 1 5 LYS HE3 H -0.203 -0.936 2.268 1.00 . A A . 5 LYS HE3 1 1 5 1282 1 1 5 LYS HG2 H -2.711 -1.416 1.667 1.00 . A A . 5 LYS HG2 1 1 5 1283 1 1 5 LYS HG3 H -2.781 -2.878 0.680 1.00 . A A . 5 LYS HG3 1 1 5 1284 1 1 5 LYS HZ1 H -2.040 -1.763 4.114 1.00 . A A . 5 LYS HZ1 1 1 5 1285 1 1 5 LYS HZ2 H -1.061 -0.387 4.226 1.00 . A A . 5 LYS HZ2 1 1 5 1286 1 1 5 LYS HZ3 H -0.572 -1.834 4.952 1.00 . A A . 5 LYS HZ3 1 1 5 1287 1 1 5 LYS N N -1.854 -2.703 -2.037 1.00 . A A . 5 LYS N 1 1 5 1288 1 1 5 LYS NZ N -1.058 -1.423 4.130 1.00 . A A . 5 LYS NZ 1 1 5 1289 1 1 5 LYS O O -2.127 0.873 -1.958 1.00 . A A . 5 LYS O 1 1 5 1290 1 1 6 LEU C C -1.395 0.865 -5.141 1.00 . A A . 6 LEU C 1 1 5 1291 1 1 6 LEU CA C -0.361 0.540 -4.068 1.00 . A A . 6 LEU CA 1 1 5 1292 1 1 6 LEU CB C 0.955 0.119 -4.723 1.00 . A A . 6 LEU CB 1 1 5 1293 1 1 6 LEU CD1 C 1.086 -1.033 -6.945 1.00 . A A . 6 LEU CD1 1 1 5 1294 1 1 6 LEU CD2 C 2.055 -2.126 -4.915 1.00 . A A . 6 LEU CD2 1 1 5 1295 1 1 6 LEU CG C 0.945 -1.229 -5.444 1.00 . A A . 6 LEU CG 1 1 5 1296 1 1 6 LEU H H -0.533 -1.431 -3.319 1.00 . A A . 6 LEU H 1 1 5 1297 1 1 6 LEU HA H -0.190 1.424 -3.470 1.00 . A A . 6 LEU HA 1 1 5 1298 1 1 6 LEU HB2 H 1.224 0.877 -5.443 1.00 . A A . 6 LEU HB2 1 1 5 1299 1 1 6 LEU HB3 H 1.710 0.076 -3.950 1.00 . A A . 6 LEU HB3 1 1 5 1300 1 1 6 LEU HD11 H 0.681 -1.891 -7.460 1.00 . A A . 6 LEU HD11 1 1 5 1301 1 1 6 LEU HD12 H 2.130 -0.921 -7.197 1.00 . A A . 6 LEU HD12 1 1 5 1302 1 1 6 LEU HD13 H 0.546 -0.146 -7.244 1.00 . A A . 6 LEU HD13 1 1 5 1303 1 1 6 LEU HD21 H 2.152 -2.993 -5.552 1.00 . A A . 6 LEU HD21 1 1 5 1304 1 1 6 LEU HD22 H 1.814 -2.441 -3.911 1.00 . A A . 6 LEU HD22 1 1 5 1305 1 1 6 LEU HD23 H 2.986 -1.578 -4.907 1.00 . A A . 6 LEU HD23 1 1 5 1306 1 1 6 LEU HG H 0.000 -1.722 -5.260 1.00 . A A . 6 LEU HG 1 1 5 1307 1 1 6 LEU N N -0.844 -0.513 -3.181 1.00 . A A . 6 LEU N 1 1 5 1308 1 1 6 LEU O O -1.322 1.906 -5.794 1.00 . A A . 6 LEU O 1 1 5 1309 1 1 7 VAL C C -4.771 0.336 -5.640 1.00 . A A . 7 VAL C 1 1 5 1310 1 1 7 VAL CA C -3.412 0.161 -6.308 1.00 . A A . 7 VAL CA 1 1 5 1311 1 1 7 VAL CB C -3.483 -1.025 -7.288 1.00 . A A . 7 VAL CB 1 1 5 1312 1 1 7 VAL CG1 C -4.613 -0.826 -8.287 1.00 . A A . 7 VAL CG1 1 1 5 1313 1 1 7 VAL CG2 C -2.153 -1.204 -8.004 1.00 . A A . 7 VAL CG2 1 1 5 1314 1 1 7 VAL H H -2.366 -0.842 -4.765 1.00 . A A . 7 VAL H 1 1 5 1315 1 1 7 VAL HA H -3.181 1.053 -6.871 1.00 . A A . 7 VAL HA 1 1 5 1316 1 1 7 VAL HB H -3.686 -1.922 -6.722 1.00 . A A . 7 VAL HB 1 1 5 1317 1 1 7 VAL HG11 H -5.347 -1.608 -8.160 1.00 . A A . 7 VAL HG11 1 1 5 1318 1 1 7 VAL HG12 H -5.076 0.135 -8.119 1.00 . A A . 7 VAL HG12 1 1 5 1319 1 1 7 VAL HG13 H -4.216 -0.864 -9.291 1.00 . A A . 7 VAL HG13 1 1 5 1320 1 1 7 VAL HG21 H -2.301 -1.786 -8.901 1.00 . A A . 7 VAL HG21 1 1 5 1321 1 1 7 VAL HG22 H -1.752 -0.235 -8.265 1.00 . A A . 7 VAL HG22 1 1 5 1322 1 1 7 VAL HG23 H -1.459 -1.716 -7.353 1.00 . A A . 7 VAL HG23 1 1 5 1323 1 1 7 VAL N N -2.360 -0.032 -5.316 1.00 . A A . 7 VAL N 1 1 5 1324 1 1 7 VAL O O -5.436 1.356 -5.818 1.00 . A A . 7 VAL O 1 1 5 1325 1 1 8 VAL C C -6.525 0.560 -3.216 1.00 . A A . 8 VAL C 1 1 5 1326 1 1 8 VAL CA C -6.460 -0.625 -4.173 1.00 . A A . 8 VAL CA 1 1 5 1327 1 1 8 VAL CB C -6.713 -1.923 -3.383 1.00 . A A . 8 VAL CB 1 1 5 1328 1 1 8 VAL CG1 C -8.079 -1.884 -2.715 1.00 . A A . 8 VAL CG1 1 1 5 1329 1 1 8 VAL CG2 C -6.591 -3.134 -4.296 1.00 . A A . 8 VAL CG2 1 1 5 1330 1 1 8 VAL H H -4.606 -1.455 -4.766 1.00 . A A . 8 VAL H 1 1 5 1331 1 1 8 VAL HA H -7.240 -0.521 -4.913 1.00 . A A . 8 VAL HA 1 1 5 1332 1 1 8 VAL HB H -5.961 -2.003 -2.611 1.00 . A A . 8 VAL HB 1 1 5 1333 1 1 8 VAL HG11 H -8.694 -2.680 -3.108 1.00 . A A . 8 VAL HG11 1 1 5 1334 1 1 8 VAL HG12 H -7.962 -2.010 -1.648 1.00 . A A . 8 VAL HG12 1 1 5 1335 1 1 8 VAL HG13 H -8.550 -0.933 -2.915 1.00 . A A . 8 VAL HG13 1 1 5 1336 1 1 8 VAL HG21 H -6.886 -2.861 -5.298 1.00 . A A . 8 VAL HG21 1 1 5 1337 1 1 8 VAL HG22 H -5.567 -3.477 -4.302 1.00 . A A . 8 VAL HG22 1 1 5 1338 1 1 8 VAL HG23 H -7.233 -3.924 -3.934 1.00 . A A . 8 VAL HG23 1 1 5 1339 1 1 8 VAL N N -5.180 -0.668 -4.869 1.00 . A A . 8 VAL N 1 1 5 1340 1 1 8 VAL O O -7.466 1.354 -3.257 1.00 . A A . 8 VAL O 1 1 5 1341 1 1 9 VAL C C -4.745 2.978 -1.970 1.00 . A A . 9 VAL C 1 1 5 1342 1 1 9 VAL CA C -5.461 1.764 -1.388 1.00 . A A . 9 VAL CA 1 1 5 1343 1 1 9 VAL CB C -4.744 1.330 -0.095 1.00 . A A . 9 VAL CB 1 1 5 1344 1 1 9 VAL CG1 C -4.884 2.399 0.978 1.00 . A A . 9 VAL CG1 1 1 5 1345 1 1 9 VAL CG2 C -5.288 -0.003 0.393 1.00 . A A . 9 VAL CG2 1 1 5 1346 1 1 9 VAL H H -4.798 0.011 -2.371 1.00 . A A . 9 VAL H 1 1 5 1347 1 1 9 VAL HA H -6.474 2.042 -1.136 1.00 . A A . 9 VAL HA 1 1 5 1348 1 1 9 VAL HB H -3.693 1.208 -0.315 1.00 . A A . 9 VAL HB 1 1 5 1349 1 1 9 VAL HG11 H -5.183 1.937 1.908 1.00 . A A . 9 VAL HG11 1 1 5 1350 1 1 9 VAL HG12 H -3.938 2.901 1.112 1.00 . A A . 9 VAL HG12 1 1 5 1351 1 1 9 VAL HG13 H -5.633 3.116 0.676 1.00 . A A . 9 VAL HG13 1 1 5 1352 1 1 9 VAL HG21 H -5.171 -0.746 -0.381 1.00 . A A . 9 VAL HG21 1 1 5 1353 1 1 9 VAL HG22 H -4.746 -0.311 1.275 1.00 . A A . 9 VAL HG22 1 1 5 1354 1 1 9 VAL HG23 H -6.336 0.102 0.635 1.00 . A A . 9 VAL HG23 1 1 5 1355 1 1 9 VAL N N -5.519 0.675 -2.355 1.00 . A A . 9 VAL N 1 1 5 1356 1 1 9 VAL O O -4.969 4.109 -1.540 1.00 . A A . 9 VAL O 1 1 5 1357 1 1 10 GLY C C -4.038 4.718 -4.412 1.00 . A A . 10 GLY C 1 1 5 1358 1 1 10 GLY CA C -3.147 3.818 -3.578 1.00 . A A . 10 GLY CA 1 1 5 1359 1 1 10 GLY H H -3.745 1.813 -3.254 1.00 . A A . 10 GLY H 1 1 5 1360 1 1 10 GLY HA2 H -2.675 4.410 -2.809 1.00 . A A . 10 GLY HA2 1 1 5 1361 1 1 10 GLY HA3 H -2.383 3.398 -4.215 1.00 . A A . 10 GLY HA3 1 1 5 1362 1 1 10 GLY N N -3.883 2.735 -2.952 1.00 . A A . 10 GLY N 1 1 5 1363 1 1 10 GLY O O -3.673 5.853 -4.717 1.00 . A A . 10 GLY O 1 1 5 1364 1 1 11 ALA C C -7.166 5.698 -4.703 1.00 . A A . 11 ALA C 1 1 5 1365 1 1 11 ALA CA C -6.154 4.976 -5.586 1.00 . A A . 11 ALA CA 1 1 5 1366 1 1 11 ALA CB C -6.868 4.064 -6.573 1.00 . A A . 11 ALA CB 1 1 5 1367 1 1 11 ALA H H -5.443 3.299 -4.508 1.00 . A A . 11 ALA H 1 1 5 1368 1 1 11 ALA HA H -5.595 5.709 -6.150 1.00 . A A . 11 ALA HA 1 1 5 1369 1 1 11 ALA HB1 H -6.938 3.069 -6.156 1.00 . A A . 11 ALA HB1 1 1 5 1370 1 1 11 ALA HB2 H -7.859 4.446 -6.763 1.00 . A A . 11 ALA HB2 1 1 5 1371 1 1 11 ALA HB3 H -6.311 4.029 -7.497 1.00 . A A . 11 ALA HB3 1 1 5 1372 1 1 11 ALA N N -5.209 4.210 -4.783 1.00 . A A . 11 ALA N 1 1 5 1373 1 1 11 ALA O O -7.350 6.909 -4.816 1.00 . A A . 11 ALA O 1 1 5 1374 1 1 12 GLY C C -9.472 4.500 -2.045 1.00 . A A . 12 GLY C 1 1 5 1375 1 1 12 GLY CA C -8.807 5.532 -2.935 1.00 . A A . 12 GLY CA 1 1 5 1376 1 1 12 GLY H H -7.633 3.985 -3.778 1.00 . A A . 12 GLY H 1 1 5 1377 1 1 12 GLY HA2 H -8.322 6.269 -2.313 1.00 . A A . 12 GLY HA2 1 1 5 1378 1 1 12 GLY HA3 H -9.565 6.020 -3.529 1.00 . A A . 12 GLY HA3 1 1 5 1379 1 1 12 GLY N N -7.821 4.946 -3.824 1.00 . A A . 12 GLY N 1 1 5 1380 1 1 12 GLY O O -10.647 4.629 -1.705 1.00 . A A . 12 GLY O 1 1 5 1381 1 1 13 GLY C C -10.502 1.789 -1.404 1.00 . A A . 13 GLY C 1 1 5 1382 1 1 13 GLY CA C -9.259 2.428 -0.818 1.00 . A A . 13 GLY CA 1 1 5 1383 1 1 13 GLY H H -7.787 3.422 -1.970 1.00 . A A . 13 GLY H 1 1 5 1384 1 1 13 GLY HA2 H -8.506 1.666 -0.679 1.00 . A A . 13 GLY HA2 1 1 5 1385 1 1 13 GLY HA3 H -9.507 2.854 0.143 1.00 . A A . 13 GLY HA3 1 1 5 1386 1 1 13 GLY N N -8.718 3.472 -1.668 1.00 . A A . 13 GLY N 1 1 5 1387 1 1 13 GLY O O -11.605 1.972 -0.889 1.00 . A A . 13 GLY O 1 1 5 1388 1 1 14 VAL C C -12.196 -0.529 -2.169 1.00 . A A . 14 VAL C 1 1 5 1389 1 1 14 VAL CA C -11.442 0.368 -3.143 1.00 . A A . 14 VAL CA 1 1 5 1390 1 1 14 VAL CB C -10.964 -0.478 -4.339 1.00 . A A . 14 VAL CB 1 1 5 1391 1 1 14 VAL CG1 C -12.150 -1.096 -5.063 1.00 . A A . 14 VAL CG1 1 1 5 1392 1 1 14 VAL CG2 C -10.130 0.367 -5.290 1.00 . A A . 14 VAL CG2 1 1 5 1393 1 1 14 VAL H H -9.422 0.928 -2.850 1.00 . A A . 14 VAL H 1 1 5 1394 1 1 14 VAL HA H -12.115 1.128 -3.513 1.00 . A A . 14 VAL HA 1 1 5 1395 1 1 14 VAL HB H -10.344 -1.278 -3.963 1.00 . A A . 14 VAL HB 1 1 5 1396 1 1 14 VAL HG11 H -12.048 -2.172 -5.068 1.00 . A A . 14 VAL HG11 1 1 5 1397 1 1 14 VAL HG12 H -13.064 -0.823 -4.556 1.00 . A A . 14 VAL HG12 1 1 5 1398 1 1 14 VAL HG13 H -12.180 -0.733 -6.080 1.00 . A A . 14 VAL HG13 1 1 5 1399 1 1 14 VAL HG21 H -10.164 -0.063 -6.279 1.00 . A A . 14 VAL HG21 1 1 5 1400 1 1 14 VAL HG22 H -10.527 1.371 -5.320 1.00 . A A . 14 VAL HG22 1 1 5 1401 1 1 14 VAL HG23 H -9.107 0.395 -4.944 1.00 . A A . 14 VAL HG23 1 1 5 1402 1 1 14 VAL N N -10.325 1.036 -2.486 1.00 . A A . 14 VAL N 1 1 5 1403 1 1 14 VAL O O -13.417 -0.659 -2.246 1.00 . A A . 14 VAL O 1 1 5 1404 1 1 15 GLY C C -11.775 -3.487 -0.535 1.00 . A A . 15 GLY C 1 1 5 1405 1 1 15 GLY CA C -12.076 -2.025 -0.273 1.00 . A A . 15 GLY CA 1 1 5 1406 1 1 15 GLY H H -10.490 -1.006 -1.236 1.00 . A A . 15 GLY H 1 1 5 1407 1 1 15 GLY HA2 H -11.712 -1.764 0.710 1.00 . A A . 15 GLY HA2 1 1 5 1408 1 1 15 GLY HA3 H -13.146 -1.879 -0.299 1.00 . A A . 15 GLY HA3 1 1 5 1409 1 1 15 GLY N N -11.460 -1.147 -1.250 1.00 . A A . 15 GLY N 1 1 5 1410 1 1 15 GLY O O -12.463 -4.372 -0.026 1.00 . A A . 15 GLY O 1 1 5 1411 1 1 16 LYS C C -9.244 -5.596 -0.737 1.00 . A A . 16 LYS C 1 1 5 1412 1 1 16 LYS CA C -10.353 -5.109 -1.664 1.00 . A A . 16 LYS CA 1 1 5 1413 1 1 16 LYS CB C -9.888 -5.189 -3.120 1.00 . A A . 16 LYS CB 1 1 5 1414 1 1 16 LYS CD C -12.244 -5.240 -3.988 1.00 . A A . 16 LYS CD 1 1 5 1415 1 1 16 LYS CE C -12.181 -6.734 -4.266 1.00 . A A . 16 LYS CE 1 1 5 1416 1 1 16 LYS CG C -10.875 -4.593 -4.108 1.00 . A A . 16 LYS CG 1 1 5 1417 1 1 16 LYS H H -10.234 -2.996 -1.710 1.00 . A A . 16 LYS H 1 1 5 1418 1 1 16 LYS HA H -11.218 -5.742 -1.536 1.00 . A A . 16 LYS HA 1 1 5 1419 1 1 16 LYS HB2 H -8.951 -4.661 -3.215 1.00 . A A . 16 LYS HB2 1 1 5 1420 1 1 16 LYS HB3 H -9.734 -6.227 -3.379 1.00 . A A . 16 LYS HB3 1 1 5 1421 1 1 16 LYS HD2 H -12.619 -5.088 -2.987 1.00 . A A . 16 LYS HD2 1 1 5 1422 1 1 16 LYS HD3 H -12.915 -4.778 -4.699 1.00 . A A . 16 LYS HD3 1 1 5 1423 1 1 16 LYS HE2 H -11.807 -6.885 -5.267 1.00 . A A . 16 LYS HE2 1 1 5 1424 1 1 16 LYS HE3 H -11.506 -7.191 -3.557 1.00 . A A . 16 LYS HE3 1 1 5 1425 1 1 16 LYS HG2 H -10.971 -3.535 -3.913 1.00 . A A . 16 LYS HG2 1 1 5 1426 1 1 16 LYS HG3 H -10.502 -4.744 -5.111 1.00 . A A . 16 LYS HG3 1 1 5 1427 1 1 16 LYS HZ1 H -14.065 -7.231 -5.019 1.00 . A A . 16 LYS HZ1 1 1 5 1428 1 1 16 LYS HZ2 H -14.042 -6.967 -3.347 1.00 . A A . 16 LYS HZ2 1 1 5 1429 1 1 16 LYS HZ3 H -13.410 -8.400 -3.987 1.00 . A A . 16 LYS HZ3 1 1 5 1430 1 1 16 LYS N N -10.745 -3.744 -1.334 1.00 . A A . 16 LYS N 1 1 5 1431 1 1 16 LYS NZ N -13.518 -7.378 -4.147 1.00 . A A . 16 LYS NZ 1 1 5 1432 1 1 16 LYS O O -9.317 -6.698 -0.193 1.00 . A A . 16 LYS O 1 1 5 1433 1 1 17 SER C C -7.579 -5.551 1.678 1.00 . A A . 17 SER C 1 1 5 1434 1 1 17 SER CA C -7.094 -5.117 0.299 1.00 . A A . 17 SER CA 1 1 5 1435 1 1 17 SER CB C -6.140 -3.928 0.432 1.00 . A A . 17 SER CB 1 1 5 1436 1 1 17 SER H H -8.219 -3.904 -1.023 1.00 . A A . 17 SER H 1 1 5 1437 1 1 17 SER HA H -6.568 -5.940 -0.161 1.00 . A A . 17 SER HA 1 1 5 1438 1 1 17 SER HB2 H -5.533 -3.855 -0.458 1.00 . A A . 17 SER HB2 1 1 5 1439 1 1 17 SER HB3 H -6.714 -3.021 0.552 1.00 . A A . 17 SER HB3 1 1 5 1440 1 1 17 SER HG H -5.587 -3.507 2.263 1.00 . A A . 17 SER HG 1 1 5 1441 1 1 17 SER N N -8.219 -4.768 -0.561 1.00 . A A . 17 SER N 1 1 5 1442 1 1 17 SER O O -6.941 -6.367 2.345 1.00 . A A . 17 SER O 1 1 5 1443 1 1 17 SER OG O -5.288 -4.082 1.554 1.00 . A A . 17 SER OG 1 1 5 1444 1 1 18 HIS C C -9.424 -6.842 3.565 1.00 . A A . 18 HIS C 1 1 5 1445 1 1 18 HIS CA C -9.285 -5.332 3.401 1.00 . A A . 18 HIS CA 1 1 5 1446 1 1 18 HIS CB C -10.649 -4.661 3.567 1.00 . A A . 18 HIS CB 1 1 5 1447 1 1 18 HIS CD2 C -10.995 -2.553 5.038 1.00 . A A . 18 HIS CD2 1 1 5 1448 1 1 18 HIS CE1 C -10.053 -1.081 3.714 1.00 . A A . 18 HIS CE1 1 1 5 1449 1 1 18 HIS CG C -10.564 -3.213 3.937 1.00 . A A . 18 HIS CG 1 1 5 1450 1 1 18 HIS H H -9.176 -4.358 1.524 1.00 . A A . 18 HIS H 1 1 5 1451 1 1 18 HIS HA H -8.616 -4.959 4.162 1.00 . A A . 18 HIS HA 1 1 5 1452 1 1 18 HIS HB2 H -11.194 -4.734 2.637 1.00 . A A . 18 HIS HB2 1 1 5 1453 1 1 18 HIS HB3 H -11.202 -5.171 4.343 1.00 . A A . 18 HIS HB3 1 1 5 1454 1 1 18 HIS HD1 H -9.570 -2.429 2.253 1.00 . A A . 18 HIS HD1 1 1 5 1455 1 1 18 HIS HD2 H -11.504 -2.987 5.887 1.00 . A A . 18 HIS HD2 1 1 5 1456 1 1 18 HIS HE1 H -9.677 -0.151 3.314 1.00 . A A . 18 HIS HE1 1 1 5 1457 1 1 18 HIS N N -8.713 -5.001 2.101 1.00 . A A . 18 HIS N 1 1 5 1458 1 1 18 HIS ND1 N -9.979 -2.262 3.127 1.00 . A A . 18 HIS ND1 1 1 5 1459 1 1 18 HIS NE2 N -10.665 -1.230 4.875 1.00 . A A . 18 HIS NE2 1 1 5 1460 1 1 18 HIS O O -9.364 -7.364 4.679 1.00 . A A . 18 HIS O 1 1 5 1461 1 1 19 VAL C C -8.440 -9.671 2.817 1.00 . A A . 19 VAL C 1 1 5 1462 1 1 19 VAL CA C -9.758 -8.990 2.469 1.00 . A A . 19 VAL CA 1 1 5 1463 1 1 19 VAL CB C -10.257 -9.522 1.113 1.00 . A A . 19 VAL CB 1 1 5 1464 1 1 19 VAL CG1 C -10.468 -11.027 1.175 1.00 . A A . 19 VAL CG1 1 1 5 1465 1 1 19 VAL CG2 C -11.537 -8.812 0.700 1.00 . A A . 19 VAL CG2 1 1 5 1466 1 1 19 VAL H H -9.650 -7.067 1.592 1.00 . A A . 19 VAL H 1 1 5 1467 1 1 19 VAL HA H -10.492 -9.241 3.222 1.00 . A A . 19 VAL HA 1 1 5 1468 1 1 19 VAL HB H -9.500 -9.318 0.369 1.00 . A A . 19 VAL HB 1 1 5 1469 1 1 19 VAL HG11 H -9.524 -11.530 1.026 1.00 . A A . 19 VAL HG11 1 1 5 1470 1 1 19 VAL HG12 H -10.872 -11.295 2.140 1.00 . A A . 19 VAL HG12 1 1 5 1471 1 1 19 VAL HG13 H -11.159 -11.326 0.400 1.00 . A A . 19 VAL HG13 1 1 5 1472 1 1 19 VAL HG21 H -11.395 -7.744 0.768 1.00 . A A . 19 VAL HG21 1 1 5 1473 1 1 19 VAL HG22 H -11.784 -9.079 -0.317 1.00 . A A . 19 VAL HG22 1 1 5 1474 1 1 19 VAL HG23 H -12.342 -9.110 1.356 1.00 . A A . 19 VAL HG23 1 1 5 1475 1 1 19 VAL N N -9.611 -7.539 2.449 1.00 . A A . 19 VAL N 1 1 5 1476 1 1 19 VAL O O -8.404 -10.606 3.618 1.00 . A A . 19 VAL O 1 1 5 1477 1 1 20 TRP C C -5.418 -9.170 3.720 1.00 . A A . 20 TRP C 1 1 5 1478 1 1 20 TRP CA C -6.035 -9.760 2.457 1.00 . A A . 20 TRP CA 1 1 5 1479 1 1 20 TRP CB C -5.118 -9.505 1.260 1.00 . A A . 20 TRP CB 1 1 5 1480 1 1 20 TRP CD1 C -6.383 -9.878 -0.938 1.00 . A A . 20 TRP CD1 1 1 5 1481 1 1 20 TRP CD2 C -5.049 -11.576 -0.344 1.00 . A A . 20 TRP CD2 1 1 5 1482 1 1 20 TRP CE2 C -5.681 -11.905 -1.559 1.00 . A A . 20 TRP CE2 1 1 5 1483 1 1 20 TRP CE3 C -4.161 -12.494 0.223 1.00 . A A . 20 TRP CE3 1 1 5 1484 1 1 20 TRP CG C -5.511 -10.275 0.036 1.00 . A A . 20 TRP CG 1 1 5 1485 1 1 20 TRP CH2 C -4.578 -13.992 -1.636 1.00 . A A . 20 TRP CH2 1 1 5 1486 1 1 20 TRP CZ2 C -5.452 -13.112 -2.214 1.00 . A A . 20 TRP CZ2 1 1 5 1487 1 1 20 TRP CZ3 C -3.935 -13.692 -0.427 1.00 . A A . 20 TRP CZ3 1 1 5 1488 1 1 20 TRP H H -7.449 -8.450 1.583 1.00 . A A . 20 TRP H 1 1 5 1489 1 1 20 TRP HA H -6.149 -10.826 2.590 1.00 . A A . 20 TRP HA 1 1 5 1490 1 1 20 TRP HB2 H -5.142 -8.454 1.014 1.00 . A A . 20 TRP HB2 1 1 5 1491 1 1 20 TRP HB3 H -4.109 -9.787 1.522 1.00 . A A . 20 TRP HB3 1 1 5 1492 1 1 20 TRP HD1 H -6.905 -8.934 -0.938 1.00 . A A . 20 TRP HD1 1 1 5 1493 1 1 20 TRP HE1 H -7.053 -10.803 -2.701 1.00 . A A . 20 TRP HE1 1 1 5 1494 1 1 20 TRP HE3 H -3.656 -12.280 1.154 1.00 . A A . 20 TRP HE3 1 1 5 1495 1 1 20 TRP HH2 H -4.372 -14.940 -2.109 1.00 . A A . 20 TRP HH2 1 1 5 1496 1 1 20 TRP HZ2 H -5.939 -13.358 -3.146 1.00 . A A . 20 TRP HZ2 1 1 5 1497 1 1 20 TRP HZ3 H -3.253 -14.414 -0.004 1.00 . A A . 20 TRP HZ3 1 1 5 1498 1 1 20 TRP N N -7.357 -9.197 2.211 1.00 . A A . 20 TRP N 1 1 5 1499 1 1 20 TRP NE1 N -6.490 -10.853 -1.900 1.00 . A A . 20 TRP NE1 1 1 5 1500 1 1 20 TRP O O -5.308 -9.845 4.744 1.00 . A A . 20 TRP O 1 1 6 1501 1 1 1 MET C C 3.510 -1.266 -1.110 1.00 . A A . 1 MET C 1 1 6 1502 1 1 1 MET CA C 2.856 0.068 -1.455 1.00 . A A . 1 MET CA 1 1 6 1503 1 1 1 MET CB C 3.587 1.208 -0.743 1.00 . A A . 1 MET CB 1 1 6 1504 1 1 1 MET CE C 6.669 3.468 -2.296 1.00 . A A . 1 MET CE 1 1 6 1505 1 1 1 MET CG C 4.954 1.515 -1.333 1.00 . A A . 1 MET CG 1 1 6 1506 1 1 1 MET H1 H 0.924 0.891 -1.186 1.00 . A A . 1 MET H1 1 1 6 1507 1 1 1 MET HA H 2.921 0.222 -2.522 1.00 . A A . 1 MET HA 1 1 6 1508 1 1 1 MET HB2 H 2.984 2.101 -0.804 1.00 . A A . 1 MET HB2 1 1 6 1509 1 1 1 MET HB3 H 3.719 0.942 0.295 1.00 . A A . 1 MET HB3 1 1 6 1510 1 1 1 MET HE1 H 7.170 2.542 -2.538 1.00 . A A . 1 MET HE1 1 1 6 1511 1 1 1 MET HE2 H 6.134 3.826 -3.163 1.00 . A A . 1 MET HE2 1 1 6 1512 1 1 1 MET HE3 H 7.399 4.204 -1.993 1.00 . A A . 1 MET HE3 1 1 6 1513 1 1 1 MET HG2 H 5.670 0.813 -0.933 1.00 . A A . 1 MET HG2 1 1 6 1514 1 1 1 MET HG3 H 4.901 1.401 -2.406 1.00 . A A . 1 MET HG3 1 1 6 1515 1 1 1 MET N N 1.444 0.066 -1.089 1.00 . A A . 1 MET N 1 1 6 1516 1 1 1 MET O O 4.728 -1.349 -0.950 1.00 . A A . 1 MET O 1 1 6 1517 1 1 1 MET SD S 5.513 3.187 -0.956 1.00 . A A . 1 MET SD 1 1 6 1518 1 1 2 THR C C 2.893 -4.629 -1.786 1.00 . A A . 2 THR C 1 1 6 1519 1 1 2 THR CA C 3.191 -3.638 -0.666 1.00 . A A . 2 THR CA 1 1 6 1520 1 1 2 THR CB C 2.575 -4.161 0.645 1.00 . A A . 2 THR CB 1 1 6 1521 1 1 2 THR CG2 C 1.090 -4.439 0.472 1.00 . A A . 2 THR CG2 1 1 6 1522 1 1 2 THR H H 1.731 -2.178 -1.134 1.00 . A A . 2 THR H 1 1 6 1523 1 1 2 THR HA H 4.261 -3.569 -0.535 1.00 . A A . 2 THR HA 1 1 6 1524 1 1 2 THR HB H 2.699 -3.406 1.409 1.00 . A A . 2 THR HB 1 1 6 1525 1 1 2 THR HG1 H 3.674 -5.208 1.904 1.00 . A A . 2 THR HG1 1 1 6 1526 1 1 2 THR HG21 H 0.955 -5.430 0.065 1.00 . A A . 2 THR HG21 1 1 6 1527 1 1 2 THR HG22 H 0.664 -3.712 -0.204 1.00 . A A . 2 THR HG22 1 1 6 1528 1 1 2 THR HG23 H 0.597 -4.372 1.430 1.00 . A A . 2 THR HG23 1 1 6 1529 1 1 2 THR N N 2.693 -2.308 -0.995 1.00 . A A . 2 THR N 1 1 6 1530 1 1 2 THR O O 3.640 -5.583 -1.997 1.00 . A A . 2 THR O 1 1 6 1531 1 1 2 THR OG1 O 3.245 -5.357 1.058 1.00 . A A . 2 THR OG1 1 1 6 1532 1 1 3 GLU C C 0.163 -4.725 -4.307 1.00 . A A . 3 GLU C 1 1 6 1533 1 1 3 GLU CA C 1.401 -5.268 -3.599 1.00 . A A . 3 GLU CA 1 1 6 1534 1 1 3 GLU CB C 1.126 -6.682 -3.081 1.00 . A A . 3 GLU CB 1 1 6 1535 1 1 3 GLU CD C 0.356 -9.019 -3.651 1.00 . A A . 3 GLU CD 1 1 6 1536 1 1 3 GLU CG C 0.402 -7.566 -4.082 1.00 . A A . 3 GLU CG 1 1 6 1537 1 1 3 GLU H H 1.241 -3.617 -2.284 1.00 . A A . 3 GLU H 1 1 6 1538 1 1 3 GLU HA H 2.217 -5.306 -4.304 1.00 . A A . 3 GLU HA 1 1 6 1539 1 1 3 GLU HB2 H 2.067 -7.151 -2.833 1.00 . A A . 3 GLU HB2 1 1 6 1540 1 1 3 GLU HB3 H 0.521 -6.614 -2.189 1.00 . A A . 3 GLU HB3 1 1 6 1541 1 1 3 GLU HG2 H -0.611 -7.208 -4.193 1.00 . A A . 3 GLU HG2 1 1 6 1542 1 1 3 GLU HG3 H 0.910 -7.504 -5.033 1.00 . A A . 3 GLU HG3 1 1 6 1543 1 1 3 GLU N N 1.797 -4.395 -2.501 1.00 . A A . 3 GLU N 1 1 6 1544 1 1 3 GLU O O 0.222 -4.341 -5.475 1.00 . A A . 3 GLU O 1 1 6 1545 1 1 3 GLU OE1 O 1.436 -9.631 -3.516 1.00 . A A . 3 GLU OE1 1 1 6 1546 1 1 3 GLU OE2 O -0.759 -9.544 -3.450 1.00 . A A . 3 GLU OE2 1 1 6 1547 1 1 4 TYR C C -2.608 -2.879 -3.510 1.00 . A A . 4 TYR C 1 1 6 1548 1 1 4 TYR CA C -2.209 -4.204 -4.152 1.00 . A A . 4 TYR CA 1 1 6 1549 1 1 4 TYR CB C -3.321 -5.235 -3.955 1.00 . A A . 4 TYR CB 1 1 6 1550 1 1 4 TYR CD1 C -3.541 -5.227 -1.439 1.00 . A A . 4 TYR CD1 1 1 6 1551 1 1 4 TYR CD2 C -2.966 -7.276 -2.511 1.00 . A A . 4 TYR CD2 1 1 6 1552 1 1 4 TYR CE1 C -3.499 -5.853 -0.209 1.00 . A A . 4 TYR CE1 1 1 6 1553 1 1 4 TYR CE2 C -2.923 -7.912 -1.285 1.00 . A A . 4 TYR CE2 1 1 6 1554 1 1 4 TYR CG C -3.275 -5.925 -2.610 1.00 . A A . 4 TYR CG 1 1 6 1555 1 1 4 TYR CZ C -3.190 -7.196 -0.137 1.00 . A A . 4 TYR CZ 1 1 6 1556 1 1 4 TYR H H -0.940 -5.017 -2.666 1.00 . A A . 4 TYR H 1 1 6 1557 1 1 4 TYR HA H -2.060 -4.048 -5.211 1.00 . A A . 4 TYR HA 1 1 6 1558 1 1 4 TYR HB2 H -4.278 -4.744 -4.042 1.00 . A A . 4 TYR HB2 1 1 6 1559 1 1 4 TYR HB3 H -3.239 -5.993 -4.720 1.00 . A A . 4 TYR HB3 1 1 6 1560 1 1 4 TYR HD1 H -3.783 -4.176 -1.499 1.00 . A A . 4 TYR HD1 1 1 6 1561 1 1 4 TYR HD2 H -2.757 -7.835 -3.412 1.00 . A A . 4 TYR HD2 1 1 6 1562 1 1 4 TYR HE1 H -3.709 -5.293 0.691 1.00 . A A . 4 TYR HE1 1 1 6 1563 1 1 4 TYR HE2 H -2.681 -8.963 -1.228 1.00 . A A . 4 TYR HE2 1 1 6 1564 1 1 4 TYR HH H -2.415 -8.443 1.104 1.00 . A A . 4 TYR HH 1 1 6 1565 1 1 4 TYR N N -0.956 -4.697 -3.592 1.00 . A A . 4 TYR N 1 1 6 1566 1 1 4 TYR O O -3.367 -2.100 -4.087 1.00 . A A . 4 TYR O 1 1 6 1567 1 1 4 TYR OH O -3.149 -7.824 1.087 1.00 . A A . 4 TYR OH 1 1 6 1568 1 1 5 LYS C C -1.938 -0.178 -2.384 1.00 . A A . 5 LYS C 1 1 6 1569 1 1 5 LYS CA C -2.390 -1.399 -1.590 1.00 . A A . 5 LYS CA 1 1 6 1570 1 1 5 LYS CB C -1.710 -1.410 -0.219 1.00 . A A . 5 LYS CB 1 1 6 1571 1 1 5 LYS CD C -1.580 -2.846 1.838 1.00 . A A . 5 LYS CD 1 1 6 1572 1 1 5 LYS CE C -1.733 -2.269 3.237 1.00 . A A . 5 LYS CE 1 1 6 1573 1 1 5 LYS CG C -2.498 -2.152 0.846 1.00 . A A . 5 LYS CG 1 1 6 1574 1 1 5 LYS H H -1.491 -3.290 -1.904 1.00 . A A . 5 LYS H 1 1 6 1575 1 1 5 LYS HA H -3.459 -1.348 -1.451 1.00 . A A . 5 LYS HA 1 1 6 1576 1 1 5 LYS HB2 H -0.742 -1.880 -0.314 1.00 . A A . 5 LYS HB2 1 1 6 1577 1 1 5 LYS HB3 H -1.573 -0.389 0.109 1.00 . A A . 5 LYS HB3 1 1 6 1578 1 1 5 LYS HD2 H -1.823 -3.897 1.866 1.00 . A A . 5 LYS HD2 1 1 6 1579 1 1 5 LYS HD3 H -0.556 -2.720 1.516 1.00 . A A . 5 LYS HD3 1 1 6 1580 1 1 5 LYS HE2 H -2.748 -1.922 3.360 1.00 . A A . 5 LYS HE2 1 1 6 1581 1 1 5 LYS HE3 H -1.528 -3.047 3.957 1.00 . A A . 5 LYS HE3 1 1 6 1582 1 1 5 LYS HG2 H -3.119 -1.447 1.379 1.00 . A A . 5 LYS HG2 1 1 6 1583 1 1 5 LYS HG3 H -3.122 -2.893 0.367 1.00 . A A . 5 LYS HG3 1 1 6 1584 1 1 5 LYS HZ1 H 0.055 -1.244 2.892 1.00 . A A . 5 LYS HZ1 1 1 6 1585 1 1 5 LYS HZ2 H -0.525 -1.099 4.475 1.00 . A A . 5 LYS HZ2 1 1 6 1586 1 1 5 LYS HZ3 H -1.262 -0.234 3.223 1.00 . A A . 5 LYS HZ3 1 1 6 1587 1 1 5 LYS N N -2.091 -2.630 -2.312 1.00 . A A . 5 LYS N 1 1 6 1588 1 1 5 LYS NZ N -0.801 -1.132 3.473 1.00 . A A . 5 LYS NZ 1 1 6 1589 1 1 5 LYS O O -2.399 0.938 -2.143 1.00 . A A . 5 LYS O 1 1 6 1590 1 1 6 LEU C C -1.511 1.041 -5.269 1.00 . A A . 6 LEU C 1 1 6 1591 1 1 6 LEU CA C -0.520 0.686 -4.165 1.00 . A A . 6 LEU CA 1 1 6 1592 1 1 6 LEU CB C 0.824 0.291 -4.778 1.00 . A A . 6 LEU CB 1 1 6 1593 1 1 6 LEU CD1 C 0.866 -0.806 -7.031 1.00 . A A . 6 LEU CD1 1 1 6 1594 1 1 6 LEU CD2 C 2.062 -1.864 -5.106 1.00 . A A . 6 LEU CD2 1 1 6 1595 1 1 6 LEU CG C 0.854 -1.041 -5.529 1.00 . A A . 6 LEU CG 1 1 6 1596 1 1 6 LEU H H -0.704 -1.308 -3.479 1.00 . A A . 6 LEU H 1 1 6 1597 1 1 6 LEU HA H -0.379 1.550 -3.533 1.00 . A A . 6 LEU HA 1 1 6 1598 1 1 6 LEU HB2 H 1.113 1.067 -5.469 1.00 . A A . 6 LEU HB2 1 1 6 1599 1 1 6 LEU HB3 H 1.548 0.237 -3.977 1.00 . A A . 6 LEU HB3 1 1 6 1600 1 1 6 LEU HD11 H 0.182 -0.008 -7.276 1.00 . A A . 6 LEU HD11 1 1 6 1601 1 1 6 LEU HD12 H 0.563 -1.709 -7.539 1.00 . A A . 6 LEU HD12 1 1 6 1602 1 1 6 LEU HD13 H 1.864 -0.535 -7.345 1.00 . A A . 6 LEU HD13 1 1 6 1603 1 1 6 LEU HD21 H 2.351 -2.520 -5.914 1.00 . A A . 6 LEU HD21 1 1 6 1604 1 1 6 LEU HD22 H 1.809 -2.453 -4.237 1.00 . A A . 6 LEU HD22 1 1 6 1605 1 1 6 LEU HD23 H 2.883 -1.203 -4.867 1.00 . A A . 6 LEU HD23 1 1 6 1606 1 1 6 LEU HG H -0.037 -1.604 -5.287 1.00 . A A . 6 LEU HG 1 1 6 1607 1 1 6 LEU N N -1.034 -0.397 -3.333 1.00 . A A . 6 LEU N 1 1 6 1608 1 1 6 LEU O O -1.417 2.104 -5.884 1.00 . A A . 6 LEU O 1 1 6 1609 1 1 7 VAL C C -4.853 0.548 -5.926 1.00 . A A . 7 VAL C 1 1 6 1610 1 1 7 VAL CA C -3.472 0.365 -6.543 1.00 . A A . 7 VAL CA 1 1 6 1611 1 1 7 VAL CB C -3.520 -0.806 -7.543 1.00 . A A . 7 VAL CB 1 1 6 1612 1 1 7 VAL CG1 C -4.602 -0.574 -8.586 1.00 . A A . 7 VAL CG1 1 1 6 1613 1 1 7 VAL CG2 C -2.163 -0.998 -8.204 1.00 . A A . 7 VAL CG2 1 1 6 1614 1 1 7 VAL H H -2.484 -0.684 -4.992 1.00 . A A . 7 VAL H 1 1 6 1615 1 1 7 VAL HA H -3.208 1.262 -7.084 1.00 . A A . 7 VAL HA 1 1 6 1616 1 1 7 VAL HB H -3.762 -1.708 -6.999 1.00 . A A . 7 VAL HB 1 1 6 1617 1 1 7 VAL HG11 H -5.557 -0.884 -8.188 1.00 . A A . 7 VAL HG11 1 1 6 1618 1 1 7 VAL HG12 H -4.639 0.475 -8.839 1.00 . A A . 7 VAL HG12 1 1 6 1619 1 1 7 VAL HG13 H -4.378 -1.151 -9.471 1.00 . A A . 7 VAL HG13 1 1 6 1620 1 1 7 VAL HG21 H -2.302 -1.324 -9.224 1.00 . A A . 7 VAL HG21 1 1 6 1621 1 1 7 VAL HG22 H -1.624 -0.063 -8.195 1.00 . A A . 7 VAL HG22 1 1 6 1622 1 1 7 VAL HG23 H -1.599 -1.743 -7.661 1.00 . A A . 7 VAL HG23 1 1 6 1623 1 1 7 VAL N N -2.461 0.145 -5.515 1.00 . A A . 7 VAL N 1 1 6 1624 1 1 7 VAL O O -5.516 1.562 -6.149 1.00 . A A . 7 VAL O 1 1 6 1625 1 1 8 VAL C C -6.672 0.793 -3.532 1.00 . A A . 8 VAL C 1 1 6 1626 1 1 8 VAL CA C -6.586 -0.387 -4.494 1.00 . A A . 8 VAL CA 1 1 6 1627 1 1 8 VAL CB C -6.880 -1.687 -3.722 1.00 . A A . 8 VAL CB 1 1 6 1628 1 1 8 VAL CG1 C -8.228 -1.599 -3.023 1.00 . A A . 8 VAL CG1 1 1 6 1629 1 1 8 VAL CG2 C -6.832 -2.884 -4.659 1.00 . A A . 8 VAL CG2 1 1 6 1630 1 1 8 VAL H H -4.710 -1.221 -5.006 1.00 . A A . 8 VAL H 1 1 6 1631 1 1 8 VAL HA H -7.338 -0.269 -5.260 1.00 . A A . 8 VAL HA 1 1 6 1632 1 1 8 VAL HB H -6.117 -1.815 -2.969 1.00 . A A . 8 VAL HB 1 1 6 1633 1 1 8 VAL HG11 H -8.106 -1.114 -2.066 1.00 . A A . 8 VAL HG11 1 1 6 1634 1 1 8 VAL HG12 H -8.914 -1.029 -3.632 1.00 . A A . 8 VAL HG12 1 1 6 1635 1 1 8 VAL HG13 H -8.621 -2.594 -2.874 1.00 . A A . 8 VAL HG13 1 1 6 1636 1 1 8 VAL HG21 H -5.856 -3.342 -4.609 1.00 . A A . 8 VAL HG21 1 1 6 1637 1 1 8 VAL HG22 H -7.583 -3.602 -4.362 1.00 . A A . 8 VAL HG22 1 1 6 1638 1 1 8 VAL HG23 H -7.026 -2.559 -5.671 1.00 . A A . 8 VAL HG23 1 1 6 1639 1 1 8 VAL N N -5.283 -0.439 -5.146 1.00 . A A . 8 VAL N 1 1 6 1640 1 1 8 VAL O O -7.586 1.613 -3.618 1.00 . A A . 8 VAL O 1 1 6 1641 1 1 9 VAL C C -4.931 3.166 -2.183 1.00 . A A . 9 VAL C 1 1 6 1642 1 1 9 VAL CA C -5.678 1.954 -1.637 1.00 . A A . 9 VAL CA 1 1 6 1643 1 1 9 VAL CB C -5.011 1.502 -0.325 1.00 . A A . 9 VAL CB 1 1 6 1644 1 1 9 VAL CG1 C -5.175 2.565 0.751 1.00 . A A . 9 VAL CG1 1 1 6 1645 1 1 9 VAL CG2 C -5.588 0.172 0.135 1.00 . A A . 9 VAL CG2 1 1 6 1646 1 1 9 VAL H H -5.010 0.190 -2.597 1.00 . A A . 9 VAL H 1 1 6 1647 1 1 9 VAL HA H -6.697 2.240 -1.419 1.00 . A A . 9 VAL HA 1 1 6 1648 1 1 9 VAL HB H -3.955 1.368 -0.509 1.00 . A A . 9 VAL HB 1 1 6 1649 1 1 9 VAL HG11 H -5.976 3.234 0.476 1.00 . A A . 9 VAL HG11 1 1 6 1650 1 1 9 VAL HG12 H -5.407 2.091 1.693 1.00 . A A . 9 VAL HG12 1 1 6 1651 1 1 9 VAL HG13 H -4.256 3.124 0.847 1.00 . A A . 9 VAL HG13 1 1 6 1652 1 1 9 VAL HG21 H -5.467 -0.563 -0.646 1.00 . A A . 9 VAL HG21 1 1 6 1653 1 1 9 VAL HG22 H -5.070 -0.156 1.024 1.00 . A A . 9 VAL HG22 1 1 6 1654 1 1 9 VAL HG23 H -6.639 0.292 0.356 1.00 . A A . 9 VAL HG23 1 1 6 1655 1 1 9 VAL N N -5.712 0.873 -2.615 1.00 . A A . 9 VAL N 1 1 6 1656 1 1 9 VAL O O -5.166 4.296 -1.759 1.00 . A A . 9 VAL O 1 1 6 1657 1 1 10 GLY C C -4.112 4.923 -4.567 1.00 . A A . 10 GLY C 1 1 6 1658 1 1 10 GLY CA C -3.259 4.002 -3.718 1.00 . A A . 10 GLY CA 1 1 6 1659 1 1 10 GLY H H -3.882 1.999 -3.428 1.00 . A A . 10 GLY H 1 1 6 1660 1 1 10 GLY HA2 H -2.804 4.578 -2.927 1.00 . A A . 10 GLY HA2 1 1 6 1661 1 1 10 GLY HA3 H -2.481 3.579 -4.336 1.00 . A A . 10 GLY HA3 1 1 6 1662 1 1 10 GLY N N -4.028 2.921 -3.128 1.00 . A A . 10 GLY N 1 1 6 1663 1 1 10 GLY O O -3.727 6.059 -4.841 1.00 . A A . 10 GLY O 1 1 6 1664 1 1 11 ALA C C -7.225 5.930 -4.952 1.00 . A A . 11 ALA C 1 1 6 1665 1 1 11 ALA CA C -6.183 5.219 -5.810 1.00 . A A . 11 ALA CA 1 1 6 1666 1 1 11 ALA CB C -6.863 4.332 -6.842 1.00 . A A . 11 ALA CB 1 1 6 1667 1 1 11 ALA H H -5.525 3.519 -4.735 1.00 . A A . 11 ALA H 1 1 6 1668 1 1 11 ALA HA H -5.600 5.961 -6.337 1.00 . A A . 11 ALA HA 1 1 6 1669 1 1 11 ALA HB1 H -6.954 3.329 -6.450 1.00 . A A . 11 ALA HB1 1 1 6 1670 1 1 11 ALA HB2 H -7.845 4.723 -7.062 1.00 . A A . 11 ALA HB2 1 1 6 1671 1 1 11 ALA HB3 H -6.272 4.313 -7.745 1.00 . A A . 11 ALA HB3 1 1 6 1672 1 1 11 ALA N N -5.274 4.432 -4.987 1.00 . A A . 11 ALA N 1 1 6 1673 1 1 11 ALA O O -7.598 7.069 -5.228 1.00 . A A . 11 ALA O 1 1 6 1674 1 1 12 GLY C C -9.062 4.905 -1.888 1.00 . A A . 12 GLY C 1 1 6 1675 1 1 12 GLY CA C -8.686 5.830 -3.028 1.00 . A A . 12 GLY CA 1 1 6 1676 1 1 12 GLY H H -7.357 4.343 -3.739 1.00 . A A . 12 GLY H 1 1 6 1677 1 1 12 GLY HA2 H -8.295 6.749 -2.619 1.00 . A A . 12 GLY HA2 1 1 6 1678 1 1 12 GLY HA3 H -9.574 6.052 -3.603 1.00 . A A . 12 GLY HA3 1 1 6 1679 1 1 12 GLY N N -7.691 5.248 -3.910 1.00 . A A . 12 GLY N 1 1 6 1680 1 1 12 GLY O O -9.136 5.328 -0.735 1.00 . A A . 12 GLY O 1 1 6 1681 1 1 13 GLY C C -10.927 1.902 -1.551 1.00 . A A . 13 GLY C 1 1 6 1682 1 1 13 GLY CA C -9.670 2.670 -1.192 1.00 . A A . 13 GLY CA 1 1 6 1683 1 1 13 GLY H H -9.227 3.356 -3.146 1.00 . A A . 13 GLY H 1 1 6 1684 1 1 13 GLY HA2 H -8.858 1.971 -1.064 1.00 . A A . 13 GLY HA2 1 1 6 1685 1 1 13 GLY HA3 H -9.835 3.191 -0.260 1.00 . A A . 13 GLY HA3 1 1 6 1686 1 1 13 GLY N N -9.301 3.637 -2.210 1.00 . A A . 13 GLY N 1 1 6 1687 1 1 13 GLY O O -12.030 2.285 -1.162 1.00 . A A . 13 GLY O 1 1 6 1688 1 1 14 VAL C C -12.330 -0.942 -1.586 1.00 . A A . 14 VAL C 1 1 6 1689 1 1 14 VAL CA C -11.891 -0.009 -2.709 1.00 . A A . 14 VAL CA 1 1 6 1690 1 1 14 VAL CB C -11.549 -0.849 -3.954 1.00 . A A . 14 VAL CB 1 1 6 1691 1 1 14 VAL CG1 C -12.790 -1.552 -4.482 1.00 . A A . 14 VAL CG1 1 1 6 1692 1 1 14 VAL CG2 C -10.922 0.025 -5.030 1.00 . A A . 14 VAL CG2 1 1 6 1693 1 1 14 VAL H H -9.857 0.560 -2.576 1.00 . A A . 14 VAL H 1 1 6 1694 1 1 14 VAL HA H -12.711 0.649 -2.959 1.00 . A A . 14 VAL HA 1 1 6 1695 1 1 14 VAL HB H -10.830 -1.603 -3.668 1.00 . A A . 14 VAL HB 1 1 6 1696 1 1 14 VAL HG11 H -13.634 -0.879 -4.429 1.00 . A A . 14 VAL HG11 1 1 6 1697 1 1 14 VAL HG12 H -12.628 -1.847 -5.509 1.00 . A A . 14 VAL HG12 1 1 6 1698 1 1 14 VAL HG13 H -12.991 -2.427 -3.883 1.00 . A A . 14 VAL HG13 1 1 6 1699 1 1 14 VAL HG21 H -9.924 0.307 -4.729 1.00 . A A . 14 VAL HG21 1 1 6 1700 1 1 14 VAL HG22 H -10.877 -0.525 -5.958 1.00 . A A . 14 VAL HG22 1 1 6 1701 1 1 14 VAL HG23 H -11.521 0.913 -5.167 1.00 . A A . 14 VAL HG23 1 1 6 1702 1 1 14 VAL N N -10.761 0.815 -2.297 1.00 . A A . 14 VAL N 1 1 6 1703 1 1 14 VAL O O -13.523 -1.153 -1.370 1.00 . A A . 14 VAL O 1 1 6 1704 1 1 15 GLY C C -11.151 -3.807 -0.026 1.00 . A A . 15 GLY C 1 1 6 1705 1 1 15 GLY CA C -11.662 -2.402 0.223 1.00 . A A . 15 GLY CA 1 1 6 1706 1 1 15 GLY H H -10.423 -1.293 -1.088 1.00 . A A . 15 GLY H 1 1 6 1707 1 1 15 GLY HA2 H -11.212 -2.020 1.127 1.00 . A A . 15 GLY HA2 1 1 6 1708 1 1 15 GLY HA3 H -12.734 -2.439 0.354 1.00 . A A . 15 GLY HA3 1 1 6 1709 1 1 15 GLY N N -11.356 -1.498 -0.871 1.00 . A A . 15 GLY N 1 1 6 1710 1 1 15 GLY O O -11.619 -4.764 0.591 1.00 . A A . 15 GLY O 1 1 6 1711 1 1 16 LYS C C -8.605 -5.665 -0.205 1.00 . A A . 16 LYS C 1 1 6 1712 1 1 16 LYS CA C -9.613 -5.231 -1.264 1.00 . A A . 16 LYS CA 1 1 6 1713 1 1 16 LYS CB C -8.937 -5.178 -2.636 1.00 . A A . 16 LYS CB 1 1 6 1714 1 1 16 LYS CD C -11.103 -5.572 -3.844 1.00 . A A . 16 LYS CD 1 1 6 1715 1 1 16 LYS CE C -10.756 -7.022 -4.145 1.00 . A A . 16 LYS CE 1 1 6 1716 1 1 16 LYS CG C -9.856 -4.709 -3.750 1.00 . A A . 16 LYS CG 1 1 6 1717 1 1 16 LYS H H -9.857 -3.132 -1.393 1.00 . A A . 16 LYS H 1 1 6 1718 1 1 16 LYS HA H -10.416 -5.952 -1.296 1.00 . A A . 16 LYS HA 1 1 6 1719 1 1 16 LYS HB2 H -8.096 -4.502 -2.583 1.00 . A A . 16 LYS HB2 1 1 6 1720 1 1 16 LYS HB3 H -8.578 -6.166 -2.886 1.00 . A A . 16 LYS HB3 1 1 6 1721 1 1 16 LYS HD2 H -11.633 -5.529 -2.904 1.00 . A A . 16 LYS HD2 1 1 6 1722 1 1 16 LYS HD3 H -11.736 -5.191 -4.634 1.00 . A A . 16 LYS HD3 1 1 6 1723 1 1 16 LYS HE2 H -10.090 -7.386 -3.378 1.00 . A A . 16 LYS HE2 1 1 6 1724 1 1 16 LYS HE3 H -11.665 -7.605 -4.139 1.00 . A A . 16 LYS HE3 1 1 6 1725 1 1 16 LYS HG2 H -10.152 -3.689 -3.555 1.00 . A A . 16 LYS HG2 1 1 6 1726 1 1 16 LYS HG3 H -9.323 -4.758 -4.689 1.00 . A A . 16 LYS HG3 1 1 6 1727 1 1 16 LYS HZ1 H -9.838 -8.164 -5.634 1.00 . A A . 16 LYS HZ1 1 1 6 1728 1 1 16 LYS HZ2 H -9.231 -6.590 -5.506 1.00 . A A . 16 LYS HZ2 1 1 6 1729 1 1 16 LYS HZ3 H -10.737 -6.861 -6.228 1.00 . A A . 16 LYS HZ3 1 1 6 1730 1 1 16 LYS N N -10.189 -3.933 -0.934 1.00 . A A . 16 LYS N 1 1 6 1731 1 1 16 LYS NZ N -10.094 -7.170 -5.471 1.00 . A A . 16 LYS NZ 1 1 6 1732 1 1 16 LYS O O -8.682 -6.775 0.322 1.00 . A A . 16 LYS O 1 1 6 1733 1 1 17 SER C C -7.267 -5.552 2.404 1.00 . A A . 17 SER C 1 1 6 1734 1 1 17 SER CA C -6.637 -5.074 1.099 1.00 . A A . 17 SER CA 1 1 6 1735 1 1 17 SER CB C -5.778 -3.834 1.358 1.00 . A A . 17 SER CB 1 1 6 1736 1 1 17 SER H H -7.653 -3.913 -0.350 1.00 . A A . 17 SER H 1 1 6 1737 1 1 17 SER HA H -6.009 -5.861 0.707 1.00 . A A . 17 SER HA 1 1 6 1738 1 1 17 SER HB2 H -5.094 -3.695 0.535 1.00 . A A . 17 SER HB2 1 1 6 1739 1 1 17 SER HB3 H -6.418 -2.969 1.446 1.00 . A A . 17 SER HB3 1 1 6 1740 1 1 17 SER HG H -4.935 -3.114 2.973 1.00 . A A . 17 SER HG 1 1 6 1741 1 1 17 SER N N -7.661 -4.781 0.104 1.00 . A A . 17 SER N 1 1 6 1742 1 1 17 SER O O -6.684 -6.357 3.131 1.00 . A A . 17 SER O 1 1 6 1743 1 1 17 SER OG O -5.031 -3.972 2.554 1.00 . A A . 17 SER OG 1 1 6 1744 1 1 18 HIS C C -9.308 -6.940 4.018 1.00 . A A . 18 HIS C 1 1 6 1745 1 1 18 HIS CA C -9.174 -5.424 3.912 1.00 . A A . 18 HIS CA 1 1 6 1746 1 1 18 HIS CB C -10.559 -4.776 3.939 1.00 . A A . 18 HIS CB 1 1 6 1747 1 1 18 HIS CD2 C -11.476 -2.362 3.690 1.00 . A A . 18 HIS CD2 1 1 6 1748 1 1 18 HIS CE1 C -9.656 -1.269 4.237 1.00 . A A . 18 HIS CE1 1 1 6 1749 1 1 18 HIS CG C -10.518 -3.279 3.965 1.00 . A A . 18 HIS CG 1 1 6 1750 1 1 18 HIS H H -8.876 -4.412 2.076 1.00 . A A . 18 HIS H 1 1 6 1751 1 1 18 HIS HA H -8.602 -5.066 4.754 1.00 . A A . 18 HIS HA 1 1 6 1752 1 1 18 HIS HB2 H -11.107 -5.077 3.058 1.00 . A A . 18 HIS HB2 1 1 6 1753 1 1 18 HIS HB3 H -11.089 -5.109 4.819 1.00 . A A . 18 HIS HB3 1 1 6 1754 1 1 18 HIS HD1 H -8.524 -2.944 4.555 1.00 . A A . 18 HIS HD1 1 1 6 1755 1 1 18 HIS HD2 H -12.494 -2.568 3.388 1.00 . A A . 18 HIS HD2 1 1 6 1756 1 1 18 HIS HE1 H -8.962 -0.470 4.449 1.00 . A A . 18 HIS HE1 1 1 6 1757 1 1 18 HIS N N -8.463 -5.049 2.695 1.00 . A A . 18 HIS N 1 1 6 1758 1 1 18 HIS ND1 N -9.390 -2.562 4.303 1.00 . A A . 18 HIS ND1 1 1 6 1759 1 1 18 HIS NE2 N -10.915 -1.121 3.867 1.00 . A A . 18 HIS NE2 1 1 6 1760 1 1 18 HIS O O -9.391 -7.491 5.115 1.00 . A A . 18 HIS O 1 1 6 1761 1 1 19 VAL C C -8.102 -9.734 3.061 1.00 . A A . 19 VAL C 1 1 6 1762 1 1 19 VAL CA C -9.452 -9.062 2.833 1.00 . A A . 19 VAL CA 1 1 6 1763 1 1 19 VAL CB C -10.031 -9.543 1.489 1.00 . A A . 19 VAL CB 1 1 6 1764 1 1 19 VAL CG1 C -10.274 -11.044 1.519 1.00 . A A . 19 VAL CG1 1 1 6 1765 1 1 19 VAL CG2 C -11.315 -8.793 1.165 1.00 . A A . 19 VAL CG2 1 1 6 1766 1 1 19 VAL H H -9.259 -7.115 2.026 1.00 . A A . 19 VAL H 1 1 6 1767 1 1 19 VAL HA H -10.129 -9.359 3.620 1.00 . A A . 19 VAL HA 1 1 6 1768 1 1 19 VAL HB H -9.310 -9.332 0.713 1.00 . A A . 19 VAL HB 1 1 6 1769 1 1 19 VAL HG11 H -10.410 -11.366 2.541 1.00 . A A . 19 VAL HG11 1 1 6 1770 1 1 19 VAL HG12 H -11.159 -11.277 0.945 1.00 . A A . 19 VAL HG12 1 1 6 1771 1 1 19 VAL HG13 H -9.423 -11.554 1.092 1.00 . A A . 19 VAL HG13 1 1 6 1772 1 1 19 VAL HG21 H -11.170 -8.198 0.276 1.00 . A A . 19 VAL HG21 1 1 6 1773 1 1 19 VAL HG22 H -12.112 -9.502 0.999 1.00 . A A . 19 VAL HG22 1 1 6 1774 1 1 19 VAL HG23 H -11.574 -8.148 1.992 1.00 . A A . 19 VAL HG23 1 1 6 1775 1 1 19 VAL N N -9.329 -7.610 2.869 1.00 . A A . 19 VAL N 1 1 6 1776 1 1 19 VAL O O -7.946 -10.539 3.979 1.00 . A A . 19 VAL O 1 1 6 1777 1 1 20 TRP C C -4.900 -9.096 3.207 1.00 . A A . 20 TRP C 1 1 6 1778 1 1 20 TRP CA C -5.793 -9.967 2.331 1.00 . A A . 20 TRP CA 1 1 6 1779 1 1 20 TRP CB C -5.168 -10.127 0.944 1.00 . A A . 20 TRP CB 1 1 6 1780 1 1 20 TRP CD1 C -6.943 -10.329 -0.893 1.00 . A A . 20 TRP CD1 1 1 6 1781 1 1 20 TRP CD2 C -6.103 -12.288 -0.205 1.00 . A A . 20 TRP CD2 1 1 6 1782 1 1 20 TRP CE2 C -7.060 -12.537 -1.208 1.00 . A A . 20 TRP CE2 1 1 6 1783 1 1 20 TRP CE3 C -5.440 -13.372 0.376 1.00 . A A . 20 TRP CE3 1 1 6 1784 1 1 20 TRP CG C -6.044 -10.870 -0.020 1.00 . A A . 20 TRP CG 1 1 6 1785 1 1 20 TRP CH2 C -6.705 -14.867 -1.052 1.00 . A A . 20 TRP CH2 1 1 6 1786 1 1 20 TRP CZ2 C -7.369 -13.824 -1.639 1.00 . A A . 20 TRP CZ2 1 1 6 1787 1 1 20 TRP CZ3 C -5.748 -14.649 -0.052 1.00 . A A . 20 TRP CZ3 1 1 6 1788 1 1 20 TRP H H -7.317 -8.749 1.509 1.00 . A A . 20 TRP H 1 1 6 1789 1 1 20 TRP HA H -5.886 -10.941 2.788 1.00 . A A . 20 TRP HA 1 1 6 1790 1 1 20 TRP HB2 H -4.971 -9.150 0.530 1.00 . A A . 20 TRP HB2 1 1 6 1791 1 1 20 TRP HB3 H -4.238 -10.669 1.037 1.00 . A A . 20 TRP HB3 1 1 6 1792 1 1 20 TRP HD1 H -7.134 -9.271 -0.993 1.00 . A A . 20 TRP HD1 1 1 6 1793 1 1 20 TRP HE1 H -8.243 -11.191 -2.301 1.00 . A A . 20 TRP HE1 1 1 6 1794 1 1 20 TRP HE3 H -4.699 -13.224 1.148 1.00 . A A . 20 TRP HE3 1 1 6 1795 1 1 20 TRP HH2 H -6.914 -15.881 -1.355 1.00 . A A . 20 TRP HH2 1 1 6 1796 1 1 20 TRP HZ2 H -8.104 -14.008 -2.409 1.00 . A A . 20 TRP HZ2 1 1 6 1797 1 1 20 TRP HZ3 H -5.246 -15.499 0.386 1.00 . A A . 20 TRP HZ3 1 1 6 1798 1 1 20 TRP N N -7.131 -9.397 2.221 1.00 . A A . 20 TRP N 1 1 6 1799 1 1 20 TRP NE1 N -7.559 -11.326 -1.611 1.00 . A A . 20 TRP NE1 1 1 6 1800 1 1 20 TRP O O -4.025 -9.598 3.913 1.00 . A A . 20 TRP O 1 1 7 1801 1 1 1 MET C C 3.109 -0.853 -1.153 1.00 . A A . 1 MET C 1 1 7 1802 1 1 1 MET CA C 2.010 0.204 -1.179 1.00 . A A . 1 MET CA 1 1 7 1803 1 1 1 MET CB C 2.618 1.583 -1.440 1.00 . A A . 1 MET CB 1 1 7 1804 1 1 1 MET CE C 5.951 1.889 -2.310 1.00 . A A . 1 MET CE 1 1 7 1805 1 1 1 MET CG C 3.233 1.724 -2.824 1.00 . A A . 1 MET CG 1 1 7 1806 1 1 1 MET H1 H 1.751 0.311 0.919 1.00 . A A . 1 MET H1 1 1 7 1807 1 1 1 MET HA H 1.318 -0.031 -1.974 1.00 . A A . 1 MET HA 1 1 7 1808 1 1 1 MET HB2 H 1.846 2.330 -1.336 1.00 . A A . 1 MET HB2 1 1 7 1809 1 1 1 MET HB3 H 3.389 1.769 -0.708 1.00 . A A . 1 MET HB3 1 1 7 1810 1 1 1 MET HE1 H 6.869 2.457 -2.358 1.00 . A A . 1 MET HE1 1 1 7 1811 1 1 1 MET HE2 H 5.775 1.574 -1.293 1.00 . A A . 1 MET HE2 1 1 7 1812 1 1 1 MET HE3 H 6.031 1.021 -2.947 1.00 . A A . 1 MET HE3 1 1 7 1813 1 1 1 MET HG2 H 3.608 0.761 -3.136 1.00 . A A . 1 MET HG2 1 1 7 1814 1 1 1 MET HG3 H 2.466 2.049 -3.511 1.00 . A A . 1 MET HG3 1 1 7 1815 1 1 1 MET N N 1.265 0.209 0.075 1.00 . A A . 1 MET N 1 1 7 1816 1 1 1 MET O O 4.284 -0.548 -1.361 1.00 . A A . 1 MET O 1 1 7 1817 1 1 1 MET SD S 4.589 2.912 -2.864 1.00 . A A . 1 MET SD 1 1 7 1818 1 1 2 THR C C 3.356 -4.253 -1.900 1.00 . A A . 2 THR C 1 1 7 1819 1 1 2 THR CA C 3.673 -3.201 -0.844 1.00 . A A . 2 THR CA 1 1 7 1820 1 1 2 THR CB C 3.681 -3.869 0.544 1.00 . A A . 2 THR CB 1 1 7 1821 1 1 2 THR CG2 C 2.373 -4.601 0.800 1.00 . A A . 2 THR CG2 1 1 7 1822 1 1 2 THR H H 1.770 -2.279 -0.741 1.00 . A A . 2 THR H 1 1 7 1823 1 1 2 THR HA H 4.658 -2.799 -1.034 1.00 . A A . 2 THR HA 1 1 7 1824 1 1 2 THR HB H 3.800 -3.101 1.295 1.00 . A A . 2 THR HB 1 1 7 1825 1 1 2 THR HG1 H 4.961 -4.971 1.563 1.00 . A A . 2 THR HG1 1 1 7 1826 1 1 2 THR HG21 H 2.272 -5.414 0.096 1.00 . A A . 2 THR HG21 1 1 7 1827 1 1 2 THR HG22 H 1.547 -3.916 0.679 1.00 . A A . 2 THR HG22 1 1 7 1828 1 1 2 THR HG23 H 2.371 -4.994 1.805 1.00 . A A . 2 THR HG23 1 1 7 1829 1 1 2 THR N N 2.721 -2.099 -0.898 1.00 . A A . 2 THR N 1 1 7 1830 1 1 2 THR O O 4.252 -4.933 -2.400 1.00 . A A . 2 THR O 1 1 7 1831 1 1 2 THR OG1 O 4.775 -4.788 0.638 1.00 . A A . 2 THR OG1 1 1 7 1832 1 1 3 GLU C C 0.361 -4.892 -3.921 1.00 . A A . 3 GLU C 1 1 7 1833 1 1 3 GLU CA C 1.643 -5.353 -3.233 1.00 . A A . 3 GLU CA 1 1 7 1834 1 1 3 GLU CB C 1.422 -6.721 -2.584 1.00 . A A . 3 GLU CB 1 1 7 1835 1 1 3 GLU CD C 0.635 -9.102 -2.889 1.00 . A A . 3 GLU CD 1 1 7 1836 1 1 3 GLU CG C 0.672 -7.701 -3.469 1.00 . A A . 3 GLU CG 1 1 7 1837 1 1 3 GLU H H 1.408 -3.811 -1.802 1.00 . A A . 3 GLU H 1 1 7 1838 1 1 3 GLU HA H 2.423 -5.438 -3.974 1.00 . A A . 3 GLU HA 1 1 7 1839 1 1 3 GLU HB2 H 2.384 -7.150 -2.341 1.00 . A A . 3 GLU HB2 1 1 7 1840 1 1 3 GLU HB3 H 0.858 -6.586 -1.673 1.00 . A A . 3 GLU HB3 1 1 7 1841 1 1 3 GLU HG2 H -0.343 -7.352 -3.591 1.00 . A A . 3 GLU HG2 1 1 7 1842 1 1 3 GLU HG3 H 1.156 -7.739 -4.434 1.00 . A A . 3 GLU HG3 1 1 7 1843 1 1 3 GLU N N 2.076 -4.382 -2.236 1.00 . A A . 3 GLU N 1 1 7 1844 1 1 3 GLU O O 0.353 -4.608 -5.119 1.00 . A A . 3 GLU O 1 1 7 1845 1 1 3 GLU OE1 O 0.449 -9.230 -1.661 1.00 . A A . 3 GLU OE1 1 1 7 1846 1 1 3 GLU OE2 O 0.794 -10.069 -3.663 1.00 . A A . 3 GLU OE2 1 1 7 1847 1 1 4 TYR C C -2.405 -3.029 -3.139 1.00 . A A . 4 TYR C 1 1 7 1848 1 1 4 TYR CA C -2.010 -4.397 -3.688 1.00 . A A . 4 TYR CA 1 1 7 1849 1 1 4 TYR CB C -3.090 -5.426 -3.349 1.00 . A A . 4 TYR CB 1 1 7 1850 1 1 4 TYR CD1 C -3.181 -5.214 -0.834 1.00 . A A . 4 TYR CD1 1 1 7 1851 1 1 4 TYR CD2 C -2.620 -7.335 -1.765 1.00 . A A . 4 TYR CD2 1 1 7 1852 1 1 4 TYR CE1 C -3.063 -5.736 0.440 1.00 . A A . 4 TYR CE1 1 1 7 1853 1 1 4 TYR CE2 C -2.502 -7.866 -0.495 1.00 . A A . 4 TYR CE2 1 1 7 1854 1 1 4 TYR CG C -2.961 -6.002 -1.957 1.00 . A A . 4 TYR CG 1 1 7 1855 1 1 4 TYR CZ C -2.724 -7.063 0.604 1.00 . A A . 4 TYR CZ 1 1 7 1856 1 1 4 TYR H H -0.653 -5.060 -2.206 1.00 . A A . 4 TYR H 1 1 7 1857 1 1 4 TYR HA H -1.918 -4.328 -4.762 1.00 . A A . 4 TYR HA 1 1 7 1858 1 1 4 TYR HB2 H -4.060 -4.958 -3.425 1.00 . A A . 4 TYR HB2 1 1 7 1859 1 1 4 TYR HB3 H -3.033 -6.243 -4.053 1.00 . A A . 4 TYR HB3 1 1 7 1860 1 1 4 TYR HD1 H -3.447 -4.175 -0.966 1.00 . A A . 4 TYR HD1 1 1 7 1861 1 1 4 TYR HD2 H -2.447 -7.962 -2.627 1.00 . A A . 4 TYR HD2 1 1 7 1862 1 1 4 TYR HE1 H -3.237 -5.107 1.300 1.00 . A A . 4 TYR HE1 1 1 7 1863 1 1 4 TYR HE2 H -2.235 -8.905 -0.365 1.00 . A A . 4 TYR HE2 1 1 7 1864 1 1 4 TYR HH H -1.919 -8.257 1.878 1.00 . A A . 4 TYR HH 1 1 7 1865 1 1 4 TYR N N -0.721 -4.820 -3.154 1.00 . A A . 4 TYR N 1 1 7 1866 1 1 4 TYR O O -3.208 -2.314 -3.738 1.00 . A A . 4 TYR O 1 1 7 1867 1 1 4 TYR OH O -2.607 -7.587 1.871 1.00 . A A . 4 TYR OH 1 1 7 1868 1 1 5 LYS C C -1.711 -0.232 -2.268 1.00 . A A . 5 LYS C 1 1 7 1869 1 1 5 LYS CA C -2.121 -1.389 -1.363 1.00 . A A . 5 LYS CA 1 1 7 1870 1 1 5 LYS CB C -1.393 -1.283 -0.021 1.00 . A A . 5 LYS CB 1 1 7 1871 1 1 5 LYS CD C -1.171 -2.538 2.144 1.00 . A A . 5 LYS CD 1 1 7 1872 1 1 5 LYS CE C -0.771 -1.512 3.193 1.00 . A A . 5 LYS CE 1 1 7 1873 1 1 5 LYS CG C -2.134 -1.948 1.127 1.00 . A A . 5 LYS CG 1 1 7 1874 1 1 5 LYS H H -1.200 -3.284 -1.564 1.00 . A A . 5 LYS H 1 1 7 1875 1 1 5 LYS HA H -3.185 -1.336 -1.191 1.00 . A A . 5 LYS HA 1 1 7 1876 1 1 5 LYS HB2 H -0.423 -1.748 -0.113 1.00 . A A . 5 LYS HB2 1 1 7 1877 1 1 5 LYS HB3 H -1.260 -0.239 0.222 1.00 . A A . 5 LYS HB3 1 1 7 1878 1 1 5 LYS HD2 H -1.648 -3.372 2.637 1.00 . A A . 5 LYS HD2 1 1 7 1879 1 1 5 LYS HD3 H -0.284 -2.880 1.631 1.00 . A A . 5 LYS HD3 1 1 7 1880 1 1 5 LYS HE2 H -0.041 -0.843 2.764 1.00 . A A . 5 LYS HE2 1 1 7 1881 1 1 5 LYS HE3 H -1.648 -0.950 3.480 1.00 . A A . 5 LYS HE3 1 1 7 1882 1 1 5 LYS HG2 H -2.754 -1.213 1.618 1.00 . A A . 5 LYS HG2 1 1 7 1883 1 1 5 LYS HG3 H -2.755 -2.739 0.732 1.00 . A A . 5 LYS HG3 1 1 7 1884 1 1 5 LYS HZ1 H 0.016 -1.435 5.126 1.00 . A A . 5 LYS HZ1 1 1 7 1885 1 1 5 LYS HZ2 H 0.695 -2.644 4.157 1.00 . A A . 5 LYS HZ2 1 1 7 1886 1 1 5 LYS HZ3 H -0.857 -2.846 4.798 1.00 . A A . 5 LYS HZ3 1 1 7 1887 1 1 5 LYS N N -1.833 -2.671 -1.994 1.00 . A A . 5 LYS N 1 1 7 1888 1 1 5 LYS NZ N -0.189 -2.154 4.404 1.00 . A A . 5 LYS NZ 1 1 7 1889 1 1 5 LYS O O -2.155 0.902 -2.083 1.00 . A A . 5 LYS O 1 1 7 1890 1 1 6 LEU C C -1.401 0.700 -5.310 1.00 . A A . 6 LEU C 1 1 7 1891 1 1 6 LEU CA C -0.394 0.491 -4.183 1.00 . A A . 6 LEU CA 1 1 7 1892 1 1 6 LEU CB C 0.963 0.090 -4.765 1.00 . A A . 6 LEU CB 1 1 7 1893 1 1 6 LEU CD1 C 0.967 -0.916 -7.061 1.00 . A A . 6 LEU CD1 1 1 7 1894 1 1 6 LEU CD2 C 2.216 -2.036 -5.206 1.00 . A A . 6 LEU CD2 1 1 7 1895 1 1 6 LEU CG C 0.991 -1.211 -5.569 1.00 . A A . 6 LEU CG 1 1 7 1896 1 1 6 LEU H H -0.544 -1.446 -3.345 1.00 . A A . 6 LEU H 1 1 7 1897 1 1 6 LEU HA H -0.283 1.417 -3.639 1.00 . A A . 6 LEU HA 1 1 7 1898 1 1 6 LEU HB2 H 1.294 0.886 -5.413 1.00 . A A . 6 LEU HB2 1 1 7 1899 1 1 6 LEU HB3 H 1.657 -0.014 -3.942 1.00 . A A . 6 LEU HB3 1 1 7 1900 1 1 6 LEU HD11 H 0.088 -0.335 -7.299 1.00 . A A . 6 LEU HD11 1 1 7 1901 1 1 6 LEU HD12 H 0.944 -1.845 -7.611 1.00 . A A . 6 LEU HD12 1 1 7 1902 1 1 6 LEU HD13 H 1.852 -0.359 -7.332 1.00 . A A . 6 LEU HD13 1 1 7 1903 1 1 6 LEU HD21 H 3.090 -1.402 -5.204 1.00 . A A . 6 LEU HD21 1 1 7 1904 1 1 6 LEU HD22 H 2.346 -2.825 -5.932 1.00 . A A . 6 LEU HD22 1 1 7 1905 1 1 6 LEU HD23 H 2.082 -2.468 -4.225 1.00 . A A . 6 LEU HD23 1 1 7 1906 1 1 6 LEU HG H 0.111 -1.793 -5.330 1.00 . A A . 6 LEU HG 1 1 7 1907 1 1 6 LEU N N -0.863 -0.525 -3.248 1.00 . A A . 6 LEU N 1 1 7 1908 1 1 6 LEU O O -1.314 1.671 -6.062 1.00 . A A . 6 LEU O 1 1 7 1909 1 1 7 VAL C C -4.761 0.098 -5.840 1.00 . A A . 7 VAL C 1 1 7 1910 1 1 7 VAL CA C -3.383 -0.131 -6.452 1.00 . A A . 7 VAL CA 1 1 7 1911 1 1 7 VAL CB C -3.422 -1.408 -7.312 1.00 . A A . 7 VAL CB 1 1 7 1912 1 1 7 VAL CG1 C -4.393 -1.243 -8.470 1.00 . A A . 7 VAL CG1 1 1 7 1913 1 1 7 VAL CG2 C -2.029 -1.752 -7.818 1.00 . A A . 7 VAL CG2 1 1 7 1914 1 1 7 VAL H H -2.374 -0.967 -4.790 1.00 . A A . 7 VAL H 1 1 7 1915 1 1 7 VAL HA H -3.142 0.703 -7.094 1.00 . A A . 7 VAL HA 1 1 7 1916 1 1 7 VAL HB H -3.769 -2.224 -6.694 1.00 . A A . 7 VAL HB 1 1 7 1917 1 1 7 VAL HG11 H -4.536 -0.192 -8.673 1.00 . A A . 7 VAL HG11 1 1 7 1918 1 1 7 VAL HG12 H -3.993 -1.729 -9.348 1.00 . A A . 7 VAL HG12 1 1 7 1919 1 1 7 VAL HG13 H -5.342 -1.691 -8.211 1.00 . A A . 7 VAL HG13 1 1 7 1920 1 1 7 VAL HG21 H -1.393 -2.001 -6.982 1.00 . A A . 7 VAL HG21 1 1 7 1921 1 1 7 VAL HG22 H -2.089 -2.595 -8.490 1.00 . A A . 7 VAL HG22 1 1 7 1922 1 1 7 VAL HG23 H -1.616 -0.902 -8.342 1.00 . A A . 7 VAL HG23 1 1 7 1923 1 1 7 VAL N N -2.357 -0.216 -5.419 1.00 . A A . 7 VAL N 1 1 7 1924 1 1 7 VAL O O -5.447 1.064 -6.174 1.00 . A A . 7 VAL O 1 1 7 1925 1 1 8 VAL C C -6.522 0.549 -3.396 1.00 . A A . 8 VAL C 1 1 7 1926 1 1 8 VAL CA C -6.455 -0.691 -4.280 1.00 . A A . 8 VAL CA 1 1 7 1927 1 1 8 VAL CB C -6.751 -1.936 -3.423 1.00 . A A . 8 VAL CB 1 1 7 1928 1 1 8 VAL CG1 C -8.091 -1.793 -2.719 1.00 . A A . 8 VAL CG1 1 1 7 1929 1 1 8 VAL CG2 C -6.720 -3.192 -4.280 1.00 . A A . 8 VAL CG2 1 1 7 1930 1 1 8 VAL H H -4.568 -1.544 -4.716 1.00 . A A . 8 VAL H 1 1 7 1931 1 1 8 VAL HA H -7.215 -0.617 -5.045 1.00 . A A . 8 VAL HA 1 1 7 1932 1 1 8 VAL HB H -5.981 -2.020 -2.670 1.00 . A A . 8 VAL HB 1 1 7 1933 1 1 8 VAL HG11 H -7.935 -1.767 -1.650 1.00 . A A . 8 VAL HG11 1 1 7 1934 1 1 8 VAL HG12 H -8.570 -0.879 -3.037 1.00 . A A . 8 VAL HG12 1 1 7 1935 1 1 8 VAL HG13 H -8.720 -2.635 -2.969 1.00 . A A . 8 VAL HG13 1 1 7 1936 1 1 8 VAL HG21 H -7.113 -4.024 -3.715 1.00 . A A . 8 VAL HG21 1 1 7 1937 1 1 8 VAL HG22 H -7.323 -3.039 -5.163 1.00 . A A . 8 VAL HG22 1 1 7 1938 1 1 8 VAL HG23 H -5.702 -3.404 -4.573 1.00 . A A . 8 VAL HG23 1 1 7 1939 1 1 8 VAL N N -5.159 -0.796 -4.941 1.00 . A A . 8 VAL N 1 1 7 1940 1 1 8 VAL O O -7.391 1.404 -3.571 1.00 . A A . 8 VAL O 1 1 7 1941 1 1 9 VAL C C -4.882 2.982 -2.190 1.00 . A A . 9 VAL C 1 1 7 1942 1 1 9 VAL CA C -5.549 1.779 -1.534 1.00 . A A . 9 VAL CA 1 1 7 1943 1 1 9 VAL CB C -4.791 1.429 -0.239 1.00 . A A . 9 VAL CB 1 1 7 1944 1 1 9 VAL CG1 C -4.935 2.546 0.782 1.00 . A A . 9 VAL CG1 1 1 7 1945 1 1 9 VAL CG2 C -5.290 0.109 0.329 1.00 . A A . 9 VAL CG2 1 1 7 1946 1 1 9 VAL H H -4.931 -0.071 -2.356 1.00 . A A . 9 VAL H 1 1 7 1947 1 1 9 VAL HA H -6.564 2.040 -1.272 1.00 . A A . 9 VAL HA 1 1 7 1948 1 1 9 VAL HB H -3.743 1.321 -0.478 1.00 . A A . 9 VAL HB 1 1 7 1949 1 1 9 VAL HG11 H -4.715 2.163 1.768 1.00 . A A . 9 VAL HG11 1 1 7 1950 1 1 9 VAL HG12 H -4.247 3.344 0.543 1.00 . A A . 9 VAL HG12 1 1 7 1951 1 1 9 VAL HG13 H -5.946 2.925 0.762 1.00 . A A . 9 VAL HG13 1 1 7 1952 1 1 9 VAL HG21 H -5.426 0.204 1.396 1.00 . A A . 9 VAL HG21 1 1 7 1953 1 1 9 VAL HG22 H -6.231 -0.149 -0.134 1.00 . A A . 9 VAL HG22 1 1 7 1954 1 1 9 VAL HG23 H -4.565 -0.667 0.127 1.00 . A A . 9 VAL HG23 1 1 7 1955 1 1 9 VAL N N -5.597 0.642 -2.445 1.00 . A A . 9 VAL N 1 1 7 1956 1 1 9 VAL O O -5.203 4.129 -1.880 1.00 . A A . 9 VAL O 1 1 7 1957 1 1 10 GLY C C -4.191 4.668 -4.586 1.00 . A A . 10 GLY C 1 1 7 1958 1 1 10 GLY CA C -3.254 3.784 -3.788 1.00 . A A . 10 GLY CA 1 1 7 1959 1 1 10 GLY H H -3.737 1.779 -3.308 1.00 . A A . 10 GLY H 1 1 7 1960 1 1 10 GLY HA2 H -2.738 4.389 -3.058 1.00 . A A . 10 GLY HA2 1 1 7 1961 1 1 10 GLY HA3 H -2.527 3.351 -4.460 1.00 . A A . 10 GLY HA3 1 1 7 1962 1 1 10 GLY N N -3.952 2.713 -3.101 1.00 . A A . 10 GLY N 1 1 7 1963 1 1 10 GLY O O -3.860 5.811 -4.900 1.00 . A A . 10 GLY O 1 1 7 1964 1 1 11 ALA C C -7.269 5.688 -4.762 1.00 . A A . 11 ALA C 1 1 7 1965 1 1 11 ALA CA C -6.353 4.888 -5.682 1.00 . A A . 11 ALA CA 1 1 7 1966 1 1 11 ALA CB C -7.170 3.946 -6.554 1.00 . A A . 11 ALA CB 1 1 7 1967 1 1 11 ALA H H -5.571 3.222 -4.637 1.00 . A A . 11 ALA H 1 1 7 1968 1 1 11 ALA HA H -5.824 5.572 -6.330 1.00 . A A . 11 ALA HA 1 1 7 1969 1 1 11 ALA HB1 H -6.774 2.944 -6.469 1.00 . A A . 11 ALA HB1 1 1 7 1970 1 1 11 ALA HB2 H -8.199 3.956 -6.228 1.00 . A A . 11 ALA HB2 1 1 7 1971 1 1 11 ALA HB3 H -7.114 4.269 -7.583 1.00 . A A . 11 ALA HB3 1 1 7 1972 1 1 11 ALA N N -5.365 4.139 -4.916 1.00 . A A . 11 ALA N 1 1 7 1973 1 1 11 ALA O O -7.748 6.761 -5.127 1.00 . A A . 11 ALA O 1 1 7 1974 1 1 12 GLY C C -8.916 4.897 -1.557 1.00 . A A . 12 GLY C 1 1 7 1975 1 1 12 GLY CA C -8.367 5.836 -2.613 1.00 . A A . 12 GLY CA 1 1 7 1976 1 1 12 GLY H H -7.099 4.299 -3.330 1.00 . A A . 12 GLY H 1 1 7 1977 1 1 12 GLY HA2 H -7.802 6.617 -2.127 1.00 . A A . 12 GLY HA2 1 1 7 1978 1 1 12 GLY HA3 H -9.195 6.282 -3.145 1.00 . A A . 12 GLY HA3 1 1 7 1979 1 1 12 GLY N N -7.509 5.158 -3.566 1.00 . A A . 12 GLY N 1 1 7 1980 1 1 12 GLY O O -9.298 5.330 -0.470 1.00 . A A . 12 GLY O 1 1 7 1981 1 1 13 GLY C C -10.783 2.025 -1.383 1.00 . A A . 13 GLY C 1 1 7 1982 1 1 13 GLY CA C -9.465 2.626 -0.937 1.00 . A A . 13 GLY CA 1 1 7 1983 1 1 13 GLY H H -8.638 3.320 -2.758 1.00 . A A . 13 GLY H 1 1 7 1984 1 1 13 GLY HA2 H -8.738 1.834 -0.831 1.00 . A A . 13 GLY HA2 1 1 7 1985 1 1 13 GLY HA3 H -9.606 3.102 0.022 1.00 . A A . 13 GLY HA3 1 1 7 1986 1 1 13 GLY N N -8.956 3.607 -1.877 1.00 . A A . 13 GLY N 1 1 7 1987 1 1 13 GLY O O -11.840 2.361 -0.848 1.00 . A A . 13 GLY O 1 1 7 1988 1 1 14 VAL C C -12.530 -0.453 -1.851 1.00 . A A . 14 VAL C 1 1 7 1989 1 1 14 VAL CA C -11.921 0.485 -2.887 1.00 . A A . 14 VAL CA 1 1 7 1990 1 1 14 VAL CB C -11.617 -0.312 -4.169 1.00 . A A . 14 VAL CB 1 1 7 1991 1 1 14 VAL CG1 C -12.900 -0.866 -4.770 1.00 . A A . 14 VAL CG1 1 1 7 1992 1 1 14 VAL CG2 C -10.881 0.560 -5.176 1.00 . A A . 14 VAL CG2 1 1 7 1993 1 1 14 VAL H H -9.851 0.907 -2.754 1.00 . A A . 14 VAL H 1 1 7 1994 1 1 14 VAL HA H -12.640 1.255 -3.128 1.00 . A A . 14 VAL HA 1 1 7 1995 1 1 14 VAL HB H -10.979 -1.143 -3.909 1.00 . A A . 14 VAL HB 1 1 7 1996 1 1 14 VAL HG11 H -13.748 -0.349 -4.346 1.00 . A A . 14 VAL HG11 1 1 7 1997 1 1 14 VAL HG12 H -12.888 -0.724 -5.840 1.00 . A A . 14 VAL HG12 1 1 7 1998 1 1 14 VAL HG13 H -12.974 -1.921 -4.547 1.00 . A A . 14 VAL HG13 1 1 7 1999 1 1 14 VAL HG21 H -11.473 1.436 -5.395 1.00 . A A . 14 VAL HG21 1 1 7 2000 1 1 14 VAL HG22 H -9.930 0.861 -4.762 1.00 . A A . 14 VAL HG22 1 1 7 2001 1 1 14 VAL HG23 H -10.717 0.000 -6.085 1.00 . A A . 14 VAL HG23 1 1 7 2002 1 1 14 VAL N N -10.723 1.134 -2.368 1.00 . A A . 14 VAL N 1 1 7 2003 1 1 14 VAL O O -13.750 -0.540 -1.718 1.00 . A A . 14 VAL O 1 1 7 2004 1 1 15 GLY C C -11.859 -3.523 -0.454 1.00 . A A . 15 GLY C 1 1 7 2005 1 1 15 GLY CA C -12.144 -2.076 -0.101 1.00 . A A . 15 GLY CA 1 1 7 2006 1 1 15 GLY H H -10.709 -1.043 -1.266 1.00 . A A . 15 GLY H 1 1 7 2007 1 1 15 GLY HA2 H -11.659 -1.843 0.835 1.00 . A A . 15 GLY HA2 1 1 7 2008 1 1 15 GLY HA3 H -13.210 -1.950 0.015 1.00 . A A . 15 GLY HA3 1 1 7 2009 1 1 15 GLY N N -11.671 -1.154 -1.117 1.00 . A A . 15 GLY N 1 1 7 2010 1 1 15 GLY O O -12.516 -4.434 0.049 1.00 . A A . 15 GLY O 1 1 7 2011 1 1 16 LYS C C -9.355 -5.618 -0.898 1.00 . A A . 16 LYS C 1 1 7 2012 1 1 16 LYS CA C -10.505 -5.081 -1.745 1.00 . A A . 16 LYS CA 1 1 7 2013 1 1 16 LYS CB C -10.108 -5.083 -3.223 1.00 . A A . 16 LYS CB 1 1 7 2014 1 1 16 LYS CD C -12.501 -5.097 -3.987 1.00 . A A . 16 LYS CD 1 1 7 2015 1 1 16 LYS CE C -12.449 -6.569 -4.366 1.00 . A A . 16 LYS CE 1 1 7 2016 1 1 16 LYS CG C -11.140 -4.437 -4.131 1.00 . A A . 16 LYS CG 1 1 7 2017 1 1 16 LYS H H -10.388 -2.968 -1.690 1.00 . A A . 16 LYS H 1 1 7 2018 1 1 16 LYS HA H -11.364 -5.720 -1.611 1.00 . A A . 16 LYS HA 1 1 7 2019 1 1 16 LYS HB2 H -9.176 -4.549 -3.334 1.00 . A A . 16 LYS HB2 1 1 7 2020 1 1 16 LYS HB3 H -9.967 -6.105 -3.544 1.00 . A A . 16 LYS HB3 1 1 7 2021 1 1 16 LYS HD2 H -12.826 -5.013 -2.960 1.00 . A A . 16 LYS HD2 1 1 7 2022 1 1 16 LYS HD3 H -13.207 -4.593 -4.632 1.00 . A A . 16 LYS HD3 1 1 7 2023 1 1 16 LYS HE2 H -12.026 -6.658 -5.355 1.00 . A A . 16 LYS HE2 1 1 7 2024 1 1 16 LYS HE3 H -11.820 -7.088 -3.657 1.00 . A A . 16 LYS HE3 1 1 7 2025 1 1 16 LYS HG2 H -11.230 -3.392 -3.873 1.00 . A A . 16 LYS HG2 1 1 7 2026 1 1 16 LYS HG3 H -10.812 -4.529 -5.156 1.00 . A A . 16 LYS HG3 1 1 7 2027 1 1 16 LYS HZ1 H -14.290 -6.977 -3.467 1.00 . A A . 16 LYS HZ1 1 1 7 2028 1 1 16 LYS HZ2 H -13.721 -8.224 -4.459 1.00 . A A . 16 LYS HZ2 1 1 7 2029 1 1 16 LYS HZ3 H -14.369 -6.823 -5.149 1.00 . A A . 16 LYS HZ3 1 1 7 2030 1 1 16 LYS N N -10.876 -3.735 -1.324 1.00 . A A . 16 LYS N 1 1 7 2031 1 1 16 LYS NZ N -13.802 -7.192 -4.359 1.00 . A A . 16 LYS NZ 1 1 7 2032 1 1 16 LYS O O -9.422 -6.733 -0.381 1.00 . A A . 16 LYS O 1 1 7 2033 1 1 17 SER C C -7.552 -5.677 1.416 1.00 . A A . 17 SER C 1 1 7 2034 1 1 17 SER CA C -7.138 -5.214 0.022 1.00 . A A . 17 SER CA 1 1 7 2035 1 1 17 SER CB C -6.150 -4.051 0.130 1.00 . A A . 17 SER CB 1 1 7 2036 1 1 17 SER H H -8.310 -3.940 -1.198 1.00 . A A . 17 SER H 1 1 7 2037 1 1 17 SER HA H -6.659 -6.036 -0.490 1.00 . A A . 17 SER HA 1 1 7 2038 1 1 17 SER HB2 H -5.504 -4.049 -0.734 1.00 . A A . 17 SER HB2 1 1 7 2039 1 1 17 SER HB3 H -6.698 -3.120 0.172 1.00 . A A . 17 SER HB3 1 1 7 2040 1 1 17 SER HG H -5.011 -3.302 1.537 1.00 . A A . 17 SER HG 1 1 7 2041 1 1 17 SER N N -8.303 -4.818 -0.761 1.00 . A A . 17 SER N 1 1 7 2042 1 1 17 SER O O -6.896 -6.525 2.021 1.00 . A A . 17 SER O 1 1 7 2043 1 1 17 SER OG O -5.353 -4.166 1.296 1.00 . A A . 17 SER OG 1 1 7 2044 1 1 18 HIS C C -9.309 -6.977 3.376 1.00 . A A . 18 HIS C 1 1 7 2045 1 1 18 HIS CA C -9.147 -5.465 3.243 1.00 . A A . 18 HIS CA 1 1 7 2046 1 1 18 HIS CB C -10.484 -4.772 3.505 1.00 . A A . 18 HIS CB 1 1 7 2047 1 1 18 HIS CD2 C -10.894 -2.592 4.849 1.00 . A A . 18 HIS CD2 1 1 7 2048 1 1 18 HIS CE1 C -9.653 -1.239 3.650 1.00 . A A . 18 HIS CE1 1 1 7 2049 1 1 18 HIS CG C -10.349 -3.320 3.846 1.00 . A A . 18 HIS CG 1 1 7 2050 1 1 18 HIS H H -9.124 -4.441 1.390 1.00 . A A . 18 HIS H 1 1 7 2051 1 1 18 HIS HA H -8.427 -5.128 3.972 1.00 . A A . 18 HIS HA 1 1 7 2052 1 1 18 HIS HB2 H -11.101 -4.849 2.623 1.00 . A A . 18 HIS HB2 1 1 7 2053 1 1 18 HIS HB3 H -10.981 -5.263 4.330 1.00 . A A . 18 HIS HB3 1 1 7 2054 1 1 18 HIS HD1 H -9.052 -2.671 2.318 1.00 . A A . 18 HIS HD1 1 1 7 2055 1 1 18 HIS HD2 H -11.558 -2.957 5.619 1.00 . A A . 18 HIS HD2 1 1 7 2056 1 1 18 HIS HE1 H -9.152 -0.353 3.289 1.00 . A A . 18 HIS HE1 1 1 7 2057 1 1 18 HIS N N -8.644 -5.112 1.920 1.00 . A A . 18 HIS N 1 1 7 2058 1 1 18 HIS ND1 N -9.578 -2.443 3.113 1.00 . A A . 18 HIS ND1 1 1 7 2059 1 1 18 HIS NE2 N -10.446 -1.302 4.705 1.00 . A A . 18 HIS NE2 1 1 7 2060 1 1 18 HIS O O -9.181 -7.531 4.467 1.00 . A A . 18 HIS O 1 1 7 2061 1 1 19 VAL C C -8.493 -9.799 2.671 1.00 . A A . 19 VAL C 1 1 7 2062 1 1 19 VAL CA C -9.772 -9.084 2.249 1.00 . A A . 19 VAL CA 1 1 7 2063 1 1 19 VAL CB C -10.194 -9.590 0.857 1.00 . A A . 19 VAL CB 1 1 7 2064 1 1 19 VAL CG1 C -10.361 -11.102 0.865 1.00 . A A . 19 VAL CG1 1 1 7 2065 1 1 19 VAL CG2 C -11.476 -8.906 0.408 1.00 . A A . 19 VAL CG2 1 1 7 2066 1 1 19 VAL H H -9.682 -7.140 1.418 1.00 . A A . 19 VAL H 1 1 7 2067 1 1 19 VAL HA H -10.557 -9.328 2.951 1.00 . A A . 19 VAL HA 1 1 7 2068 1 1 19 VAL HB H -9.413 -9.340 0.154 1.00 . A A . 19 VAL HB 1 1 7 2069 1 1 19 VAL HG11 H -9.388 -11.571 0.845 1.00 . A A . 19 VAL HG11 1 1 7 2070 1 1 19 VAL HG12 H -10.888 -11.401 1.759 1.00 . A A . 19 VAL HG12 1 1 7 2071 1 1 19 VAL HG13 H -10.925 -11.406 -0.004 1.00 . A A . 19 VAL HG13 1 1 7 2072 1 1 19 VAL HG21 H -11.830 -8.253 1.193 1.00 . A A . 19 VAL HG21 1 1 7 2073 1 1 19 VAL HG22 H -11.282 -8.327 -0.482 1.00 . A A . 19 VAL HG22 1 1 7 2074 1 1 19 VAL HG23 H -12.228 -9.652 0.195 1.00 . A A . 19 VAL HG23 1 1 7 2075 1 1 19 VAL N N -9.592 -7.638 2.258 1.00 . A A . 19 VAL N 1 1 7 2076 1 1 19 VAL O O -8.534 -10.775 3.421 1.00 . A A . 19 VAL O 1 1 7 2077 1 1 20 TRP C C -5.585 -9.431 3.882 1.00 . A A . 20 TRP C 1 1 7 2078 1 1 20 TRP CA C -6.067 -9.898 2.513 1.00 . A A . 20 TRP CA 1 1 7 2079 1 1 20 TRP CB C -5.033 -9.539 1.445 1.00 . A A . 20 TRP CB 1 1 7 2080 1 1 20 TRP CD1 C -6.116 -9.706 -0.872 1.00 . A A . 20 TRP CD1 1 1 7 2081 1 1 20 TRP CD2 C -4.761 -11.416 -0.363 1.00 . A A . 20 TRP CD2 1 1 7 2082 1 1 20 TRP CE2 C -5.287 -11.628 -1.653 1.00 . A A . 20 TRP CE2 1 1 7 2083 1 1 20 TRP CE3 C -3.880 -12.362 0.168 1.00 . A A . 20 TRP CE3 1 1 7 2084 1 1 20 TRP CG C -5.303 -10.181 0.118 1.00 . A A . 20 TRP CG 1 1 7 2085 1 1 20 TRP CH2 C -4.098 -13.657 -1.869 1.00 . A A . 20 TRP CH2 1 1 7 2086 1 1 20 TRP CZ2 C -4.962 -12.747 -2.414 1.00 . A A . 20 TRP CZ2 1 1 7 2087 1 1 20 TRP CZ3 C -3.559 -13.472 -0.589 1.00 . A A . 20 TRP CZ3 1 1 7 2088 1 1 20 TRP H H -7.391 -8.526 1.593 1.00 . A A . 20 TRP H 1 1 7 2089 1 1 20 TRP HA H -6.191 -10.971 2.536 1.00 . A A . 20 TRP HA 1 1 7 2090 1 1 20 TRP HB2 H -5.028 -8.469 1.303 1.00 . A A . 20 TRP HB2 1 1 7 2091 1 1 20 TRP HB3 H -4.056 -9.859 1.778 1.00 . A A . 20 TRP HB3 1 1 7 2092 1 1 20 TRP HD1 H -6.675 -8.785 -0.810 1.00 . A A . 20 TRP HD1 1 1 7 2093 1 1 20 TRP HE1 H -6.615 -10.451 -2.771 1.00 . A A . 20 TRP HE1 1 1 7 2094 1 1 20 TRP HE3 H -3.455 -12.237 1.153 1.00 . A A . 20 TRP HE3 1 1 7 2095 1 1 20 TRP HH2 H -3.819 -14.539 -2.424 1.00 . A A . 20 TRP HH2 1 1 7 2096 1 1 20 TRP HZ2 H -5.369 -12.903 -3.403 1.00 . A A . 20 TRP HZ2 1 1 7 2097 1 1 20 TRP HZ3 H -2.880 -14.214 -0.194 1.00 . A A . 20 TRP HZ3 1 1 7 2098 1 1 20 TRP N N -7.359 -9.307 2.186 1.00 . A A . 20 TRP N 1 1 7 2099 1 1 20 TRP NE1 N -6.111 -10.572 -1.939 1.00 . A A . 20 TRP NE1 1 1 7 2100 1 1 20 TRP O O -6.138 -8.495 4.460 1.00 . A A . 20 TRP O 1 1 8 2101 1 1 1 MET C C 3.062 -0.830 -1.073 1.00 . A A . 1 MET C 1 1 8 2102 1 1 1 MET CA C 1.949 0.212 -1.090 1.00 . A A . 1 MET CA 1 1 8 2103 1 1 1 MET CB C 2.546 1.610 -1.265 1.00 . A A . 1 MET CB 1 1 8 2104 1 1 1 MET CE C 5.827 2.272 -1.929 1.00 . A A . 1 MET CE 1 1 8 2105 1 1 1 MET CG C 3.181 1.833 -2.628 1.00 . A A . 1 MET CG 1 1 8 2106 1 1 1 MET H1 H 1.599 0.303 0.996 1.00 . A A . 1 MET H1 1 1 8 2107 1 1 1 MET HA H 1.290 0.006 -1.920 1.00 . A A . 1 MET HA 1 1 8 2108 1 1 1 MET HB2 H 1.763 2.342 -1.132 1.00 . A A . 1 MET HB2 1 1 8 2109 1 1 1 MET HB3 H 3.302 1.763 -0.510 1.00 . A A . 1 MET HB3 1 1 8 2110 1 1 1 MET HE1 H 6.736 2.794 -2.193 1.00 . A A . 1 MET HE1 1 1 8 2111 1 1 1 MET HE2 H 5.737 2.228 -0.854 1.00 . A A . 1 MET HE2 1 1 8 2112 1 1 1 MET HE3 H 5.857 1.270 -2.330 1.00 . A A . 1 MET HE3 1 1 8 2113 1 1 1 MET HG2 H 3.655 0.916 -2.944 1.00 . A A . 1 MET HG2 1 1 8 2114 1 1 1 MET HG3 H 2.406 2.098 -3.332 1.00 . A A . 1 MET HG3 1 1 8 2115 1 1 1 MET N N 1.159 0.149 0.134 1.00 . A A . 1 MET N 1 1 8 2116 1 1 1 MET O O 4.238 -0.501 -1.230 1.00 . A A . 1 MET O 1 1 8 2117 1 1 1 MET SD S 4.419 3.145 -2.610 1.00 . A A . 1 MET SD 1 1 8 2118 1 1 2 THR C C 3.385 -4.190 -1.953 1.00 . A A . 2 THR C 1 1 8 2119 1 1 2 THR CA C 3.650 -3.181 -0.842 1.00 . A A . 2 THR CA 1 1 8 2120 1 1 2 THR CB C 3.622 -3.908 0.515 1.00 . A A . 2 THR CB 1 1 8 2121 1 1 2 THR CG2 C 2.316 -4.667 0.695 1.00 . A A . 2 THR CG2 1 1 8 2122 1 1 2 THR H H 1.732 -2.290 -0.762 1.00 . A A . 2 THR H 1 1 8 2123 1 1 2 THR HA H 4.635 -2.759 -0.980 1.00 . A A . 2 THR HA 1 1 8 2124 1 1 2 THR HB H 3.705 -3.173 1.302 1.00 . A A . 2 THR HB 1 1 8 2125 1 1 2 THR HG1 H 5.284 -4.569 1.346 1.00 . A A . 2 THR HG1 1 1 8 2126 1 1 2 THR HG21 H 2.288 -5.106 1.680 1.00 . A A . 2 THR HG21 1 1 8 2127 1 1 2 THR HG22 H 2.247 -5.448 -0.049 1.00 . A A . 2 THR HG22 1 1 8 2128 1 1 2 THR HG23 H 1.485 -3.986 0.580 1.00 . A A . 2 THR HG23 1 1 8 2129 1 1 2 THR N N 2.684 -2.090 -0.881 1.00 . A A . 2 THR N 1 1 8 2130 1 1 2 THR O O 4.307 -4.838 -2.448 1.00 . A A . 2 THR O 1 1 8 2131 1 1 2 THR OG1 O 4.724 -4.818 0.606 1.00 . A A . 2 THR OG1 1 1 8 2132 1 1 3 GLU C C 0.471 -4.775 -4.106 1.00 . A A . 3 GLU C 1 1 8 2133 1 1 3 GLU CA C 1.735 -5.250 -3.394 1.00 . A A . 3 GLU CA 1 1 8 2134 1 1 3 GLU CB C 1.511 -6.647 -2.813 1.00 . A A . 3 GLU CB 1 1 8 2135 1 1 3 GLU CD C 0.793 -9.027 -3.260 1.00 . A A . 3 GLU CD 1 1 8 2136 1 1 3 GLU CG C 0.808 -7.598 -3.767 1.00 . A A . 3 GLU CG 1 1 8 2137 1 1 3 GLU H H 1.430 -3.773 -1.908 1.00 . A A . 3 GLU H 1 1 8 2138 1 1 3 GLU HA H 2.542 -5.293 -4.110 1.00 . A A . 3 GLU HA 1 1 8 2139 1 1 3 GLU HB2 H 2.469 -7.073 -2.553 1.00 . A A . 3 GLU HB2 1 1 8 2140 1 1 3 GLU HB3 H 0.912 -6.560 -1.919 1.00 . A A . 3 GLU HB3 1 1 8 2141 1 1 3 GLU HG2 H -0.211 -7.268 -3.898 1.00 . A A . 3 GLU HG2 1 1 8 2142 1 1 3 GLU HG3 H 1.318 -7.575 -4.719 1.00 . A A . 3 GLU HG3 1 1 8 2143 1 1 3 GLU N N 2.120 -4.318 -2.341 1.00 . A A . 3 GLU N 1 1 8 2144 1 1 3 GLU O O 0.501 -4.440 -5.290 1.00 . A A . 3 GLU O 1 1 8 2145 1 1 3 GLU OE1 O 0.773 -9.220 -2.027 1.00 . A A . 3 GLU OE1 1 1 8 2146 1 1 3 GLU OE2 O 0.799 -9.953 -4.098 1.00 . A A . 3 GLU OE2 1 1 8 2147 1 1 4 TYR C C -2.345 -2.981 -3.341 1.00 . A A . 4 TYR C 1 1 8 2148 1 1 4 TYR CA C -1.913 -4.318 -3.935 1.00 . A A . 4 TYR CA 1 1 8 2149 1 1 4 TYR CB C -2.989 -5.375 -3.680 1.00 . A A . 4 TYR CB 1 1 8 2150 1 1 4 TYR CD1 C -3.172 -5.271 -1.163 1.00 . A A . 4 TYR CD1 1 1 8 2151 1 1 4 TYR CD2 C -2.552 -7.345 -2.161 1.00 . A A . 4 TYR CD2 1 1 8 2152 1 1 4 TYR CE1 C -3.093 -5.845 0.091 1.00 . A A . 4 TYR CE1 1 1 8 2153 1 1 4 TYR CE2 C -2.473 -7.928 -0.912 1.00 . A A . 4 TYR CE2 1 1 8 2154 1 1 4 TYR CG C -2.903 -6.008 -2.310 1.00 . A A . 4 TYR CG 1 1 8 2155 1 1 4 TYR CZ C -2.743 -7.174 0.211 1.00 . A A . 4 TYR CZ 1 1 8 2156 1 1 4 TYR H H -0.598 -5.028 -2.436 1.00 . A A . 4 TYR H 1 1 8 2157 1 1 4 TYR HA H -1.784 -4.201 -5.001 1.00 . A A . 4 TYR HA 1 1 8 2158 1 1 4 TYR HB2 H -3.962 -4.918 -3.772 1.00 . A A . 4 TYR HB2 1 1 8 2159 1 1 4 TYR HB3 H -2.895 -6.160 -4.415 1.00 . A A . 4 TYR HB3 1 1 8 2160 1 1 4 TYR HD1 H -3.446 -4.230 -1.261 1.00 . A A . 4 TYR HD1 1 1 8 2161 1 1 4 TYR HD2 H -2.341 -7.933 -3.043 1.00 . A A . 4 TYR HD2 1 1 8 2162 1 1 4 TYR HE1 H -3.306 -5.255 0.970 1.00 . A A . 4 TYR HE1 1 1 8 2163 1 1 4 TYR HE2 H -2.199 -8.968 -0.817 1.00 . A A . 4 TYR HE2 1 1 8 2164 1 1 4 TYR HH H -1.744 -7.825 1.719 1.00 . A A . 4 TYR HH 1 1 8 2165 1 1 4 TYR N N -0.638 -4.749 -3.375 1.00 . A A . 4 TYR N 1 1 8 2166 1 1 4 TYR O O -3.140 -2.252 -3.935 1.00 . A A . 4 TYR O 1 1 8 2167 1 1 4 TYR OH O -2.665 -7.750 1.458 1.00 . A A . 4 TYR OH 1 1 8 2168 1 1 5 LYS C C -1.706 -0.216 -2.321 1.00 . A A . 5 LYS C 1 1 8 2169 1 1 5 LYS CA C -2.144 -1.416 -1.488 1.00 . A A . 5 LYS CA 1 1 8 2170 1 1 5 LYS CB C -1.476 -1.367 -0.112 1.00 . A A . 5 LYS CB 1 1 8 2171 1 1 5 LYS CD C -1.125 -2.824 1.904 1.00 . A A . 5 LYS CD 1 1 8 2172 1 1 5 LYS CE C -0.910 -1.881 3.078 1.00 . A A . 5 LYS CE 1 1 8 2173 1 1 5 LYS CG C -2.138 -2.265 0.918 1.00 . A A . 5 LYS CG 1 1 8 2174 1 1 5 LYS H H -1.188 -3.288 -1.740 1.00 . A A . 5 LYS H 1 1 8 2175 1 1 5 LYS HA H -3.215 -1.379 -1.360 1.00 . A A . 5 LYS HA 1 1 8 2176 1 1 5 LYS HB2 H -0.444 -1.671 -0.215 1.00 . A A . 5 LYS HB2 1 1 8 2177 1 1 5 LYS HB3 H -1.507 -0.350 0.254 1.00 . A A . 5 LYS HB3 1 1 8 2178 1 1 5 LYS HD2 H -1.485 -3.770 2.279 1.00 . A A . 5 LYS HD2 1 1 8 2179 1 1 5 LYS HD3 H -0.183 -2.971 1.394 1.00 . A A . 5 LYS HD3 1 1 8 2180 1 1 5 LYS HE2 H -0.416 -0.990 2.721 1.00 . A A . 5 LYS HE2 1 1 8 2181 1 1 5 LYS HE3 H -1.872 -1.617 3.492 1.00 . A A . 5 LYS HE3 1 1 8 2182 1 1 5 LYS HG2 H -2.874 -1.692 1.462 1.00 . A A . 5 LYS HG2 1 1 8 2183 1 1 5 LYS HG3 H -2.622 -3.086 0.409 1.00 . A A . 5 LYS HG3 1 1 8 2184 1 1 5 LYS HZ1 H -0.167 -1.963 5.028 1.00 . A A . 5 LYS HZ1 1 1 8 2185 1 1 5 LYS HZ2 H 0.922 -2.513 3.856 1.00 . A A . 5 LYS HZ2 1 1 8 2186 1 1 5 LYS HZ3 H -0.387 -3.480 4.315 1.00 . A A . 5 LYS HZ3 1 1 8 2187 1 1 5 LYS N N -1.816 -2.666 -2.164 1.00 . A A . 5 LYS N 1 1 8 2188 1 1 5 LYS NZ N -0.078 -2.503 4.144 1.00 . A A . 5 LYS NZ 1 1 8 2189 1 1 5 LYS O O -2.158 0.908 -2.094 1.00 . A A . 5 LYS O 1 1 8 2190 1 1 6 LEU C C -1.298 0.866 -5.301 1.00 . A A . 6 LEU C 1 1 8 2191 1 1 6 LEU CA C -0.328 0.602 -4.153 1.00 . A A . 6 LEU CA 1 1 8 2192 1 1 6 LEU CB C 1.048 0.230 -4.709 1.00 . A A . 6 LEU CB 1 1 8 2193 1 1 6 LEU CD1 C 1.112 -0.660 -7.051 1.00 . A A . 6 LEU CD1 1 1 8 2194 1 1 6 LEU CD2 C 2.328 -1.862 -5.226 1.00 . A A . 6 LEU CD2 1 1 8 2195 1 1 6 LEU CG C 1.104 -1.028 -5.576 1.00 . A A . 6 LEU CG 1 1 8 2196 1 1 6 LEU H H -0.502 -1.375 -3.417 1.00 . A A . 6 LEU H 1 1 8 2197 1 1 6 LEU HA H -0.238 1.500 -3.561 1.00 . A A . 6 LEU HA 1 1 8 2198 1 1 6 LEU HB2 H 1.398 1.058 -5.306 1.00 . A A . 6 LEU HB2 1 1 8 2199 1 1 6 LEU HB3 H 1.714 0.086 -3.870 1.00 . A A . 6 LEU HB3 1 1 8 2200 1 1 6 LEU HD11 H 0.401 0.133 -7.228 1.00 . A A . 6 LEU HD11 1 1 8 2201 1 1 6 LEU HD12 H 0.840 -1.524 -7.639 1.00 . A A . 6 LEU HD12 1 1 8 2202 1 1 6 LEU HD13 H 2.100 -0.329 -7.335 1.00 . A A . 6 LEU HD13 1 1 8 2203 1 1 6 LEU HD21 H 3.219 -1.265 -5.354 1.00 . A A . 6 LEU HD21 1 1 8 2204 1 1 6 LEU HD22 H 2.374 -2.723 -5.876 1.00 . A A . 6 LEU HD22 1 1 8 2205 1 1 6 LEU HD23 H 2.258 -2.191 -4.199 1.00 . A A . 6 LEU HD23 1 1 8 2206 1 1 6 LEU HG H 0.224 -1.628 -5.386 1.00 . A A . 6 LEU HG 1 1 8 2207 1 1 6 LEU N N -0.826 -0.460 -3.285 1.00 . A A . 6 LEU N 1 1 8 2208 1 1 6 LEU O O -1.193 1.877 -5.996 1.00 . A A . 6 LEU O 1 1 8 2209 1 1 7 VAL C C -4.638 0.247 -5.977 1.00 . A A . 7 VAL C 1 1 8 2210 1 1 7 VAL CA C -3.235 0.087 -6.553 1.00 . A A . 7 VAL CA 1 1 8 2211 1 1 7 VAL CB C -3.216 -1.129 -7.498 1.00 . A A . 7 VAL CB 1 1 8 2212 1 1 7 VAL CG1 C -4.277 -0.983 -8.578 1.00 . A A . 7 VAL CG1 1 1 8 2213 1 1 7 VAL CG2 C -1.836 -1.302 -8.115 1.00 . A A . 7 VAL CG2 1 1 8 2214 1 1 7 VAL H H -2.276 -0.832 -4.905 1.00 . A A . 7 VAL H 1 1 8 2215 1 1 7 VAL HA H -2.990 0.968 -7.128 1.00 . A A . 7 VAL HA 1 1 8 2216 1 1 7 VAL HB H -3.441 -2.013 -6.919 1.00 . A A . 7 VAL HB 1 1 8 2217 1 1 7 VAL HG11 H -4.176 -1.787 -9.292 1.00 . A A . 7 VAL HG11 1 1 8 2218 1 1 7 VAL HG12 H -5.258 -1.022 -8.127 1.00 . A A . 7 VAL HG12 1 1 8 2219 1 1 7 VAL HG13 H -4.149 -0.037 -9.082 1.00 . A A . 7 VAL HG13 1 1 8 2220 1 1 7 VAL HG21 H -1.935 -1.707 -9.111 1.00 . A A . 7 VAL HG21 1 1 8 2221 1 1 7 VAL HG22 H -1.341 -0.343 -8.163 1.00 . A A . 7 VAL HG22 1 1 8 2222 1 1 7 VAL HG23 H -1.252 -1.978 -7.508 1.00 . A A . 7 VAL HG23 1 1 8 2223 1 1 7 VAL N N -2.244 -0.048 -5.492 1.00 . A A . 7 VAL N 1 1 8 2224 1 1 7 VAL O O -5.326 1.230 -6.254 1.00 . A A . 7 VAL O 1 1 8 2225 1 1 8 VAL C C -6.479 0.437 -3.537 1.00 . A A . 8 VAL C 1 1 8 2226 1 1 8 VAL CA C -6.377 -0.692 -4.556 1.00 . A A . 8 VAL CA 1 1 8 2227 1 1 8 VAL CB C -6.706 -2.027 -3.863 1.00 . A A . 8 VAL CB 1 1 8 2228 1 1 8 VAL CG1 C -8.092 -1.976 -3.237 1.00 . A A . 8 VAL CG1 1 1 8 2229 1 1 8 VAL CG2 C -6.599 -3.180 -4.849 1.00 . A A . 8 VAL CG2 1 1 8 2230 1 1 8 VAL H H -4.462 -1.483 -4.990 1.00 . A A . 8 VAL H 1 1 8 2231 1 1 8 VAL HA H -7.106 -0.526 -5.336 1.00 . A A . 8 VAL HA 1 1 8 2232 1 1 8 VAL HB H -5.985 -2.187 -3.074 1.00 . A A . 8 VAL HB 1 1 8 2233 1 1 8 VAL HG11 H -8.721 -2.725 -3.696 1.00 . A A . 8 VAL HG11 1 1 8 2234 1 1 8 VAL HG12 H -8.016 -2.169 -2.177 1.00 . A A . 8 VAL HG12 1 1 8 2235 1 1 8 VAL HG13 H -8.522 -0.999 -3.396 1.00 . A A . 8 VAL HG13 1 1 8 2236 1 1 8 VAL HG21 H -7.249 -3.983 -4.536 1.00 . A A . 8 VAL HG21 1 1 8 2237 1 1 8 VAL HG22 H -6.891 -2.841 -5.831 1.00 . A A . 8 VAL HG22 1 1 8 2238 1 1 8 VAL HG23 H -5.578 -3.534 -4.880 1.00 . A A . 8 VAL HG23 1 1 8 2239 1 1 8 VAL N N -5.056 -0.725 -5.173 1.00 . A A . 8 VAL N 1 1 8 2240 1 1 8 VAL O O -7.309 1.336 -3.670 1.00 . A A . 8 VAL O 1 1 8 2241 1 1 9 VAL C C -5.003 2.703 -1.980 1.00 . A A . 9 VAL C 1 1 8 2242 1 1 9 VAL CA C -5.619 1.404 -1.475 1.00 . A A . 9 VAL CA 1 1 8 2243 1 1 9 VAL CB C -4.843 0.930 -0.232 1.00 . A A . 9 VAL CB 1 1 8 2244 1 1 9 VAL CG1 C -5.024 1.910 0.917 1.00 . A A . 9 VAL CG1 1 1 8 2245 1 1 9 VAL CG2 C -5.288 -0.468 0.173 1.00 . A A . 9 VAL CG2 1 1 8 2246 1 1 9 VAL H H -4.988 -0.356 -2.466 1.00 . A A . 9 VAL H 1 1 8 2247 1 1 9 VAL HA H -6.643 1.592 -1.184 1.00 . A A . 9 VAL HA 1 1 8 2248 1 1 9 VAL HB H -3.793 0.892 -0.481 1.00 . A A . 9 VAL HB 1 1 8 2249 1 1 9 VAL HG11 H -4.897 1.390 1.856 1.00 . A A . 9 VAL HG11 1 1 8 2250 1 1 9 VAL HG12 H -4.290 2.698 0.838 1.00 . A A . 9 VAL HG12 1 1 8 2251 1 1 9 VAL HG13 H -6.016 2.335 0.874 1.00 . A A . 9 VAL HG13 1 1 8 2252 1 1 9 VAL HG21 H -6.338 -0.453 0.425 1.00 . A A . 9 VAL HG21 1 1 8 2253 1 1 9 VAL HG22 H -5.124 -1.149 -0.649 1.00 . A A . 9 VAL HG22 1 1 8 2254 1 1 9 VAL HG23 H -4.716 -0.794 1.030 1.00 . A A . 9 VAL HG23 1 1 8 2255 1 1 9 VAL N N -5.627 0.385 -2.517 1.00 . A A . 9 VAL N 1 1 8 2256 1 1 9 VAL O O -5.303 3.784 -1.474 1.00 . A A . 9 VAL O 1 1 8 2257 1 1 10 GLY C C -4.475 4.702 -4.214 1.00 . A A . 10 GLY C 1 1 8 2258 1 1 10 GLY CA C -3.492 3.764 -3.543 1.00 . A A . 10 GLY CA 1 1 8 2259 1 1 10 GLY H H -3.937 1.703 -3.348 1.00 . A A . 10 GLY H 1 1 8 2260 1 1 10 GLY HA2 H -2.987 4.295 -2.750 1.00 . A A . 10 GLY HA2 1 1 8 2261 1 1 10 GLY HA3 H -2.761 3.446 -4.271 1.00 . A A . 10 GLY HA3 1 1 8 2262 1 1 10 GLY N N -4.138 2.590 -2.984 1.00 . A A . 10 GLY N 1 1 8 2263 1 1 10 GLY O O -4.187 5.884 -4.402 1.00 . A A . 10 GLY O 1 1 8 2264 1 1 11 ALA C C -7.483 5.763 -4.211 1.00 . A A . 11 ALA C 1 1 8 2265 1 1 11 ALA CA C -6.669 4.974 -5.232 1.00 . A A . 11 ALA CA 1 1 8 2266 1 1 11 ALA CB C -7.581 4.082 -6.062 1.00 . A A . 11 ALA CB 1 1 8 2267 1 1 11 ALA H H -5.812 3.227 -4.401 1.00 . A A . 11 ALA H 1 1 8 2268 1 1 11 ALA HA H -6.179 5.667 -5.900 1.00 . A A . 11 ALA HA 1 1 8 2269 1 1 11 ALA HB1 H -8.160 4.693 -6.739 1.00 . A A . 11 ALA HB1 1 1 8 2270 1 1 11 ALA HB2 H -6.983 3.384 -6.627 1.00 . A A . 11 ALA HB2 1 1 8 2271 1 1 11 ALA HB3 H -8.247 3.540 -5.407 1.00 . A A . 11 ALA HB3 1 1 8 2272 1 1 11 ALA N N -5.640 4.175 -4.578 1.00 . A A . 11 ALA N 1 1 8 2273 1 1 11 ALA O O -7.788 6.936 -4.420 1.00 . A A . 11 ALA O 1 1 8 2274 1 1 12 GLY C C -9.318 4.778 -1.166 1.00 . A A . 12 GLY C 1 1 8 2275 1 1 12 GLY CA C -8.609 5.765 -2.071 1.00 . A A . 12 GLY CA 1 1 8 2276 1 1 12 GLY H H -7.561 4.174 -2.995 1.00 . A A . 12 GLY H 1 1 8 2277 1 1 12 GLY HA2 H -7.948 6.376 -1.474 1.00 . A A . 12 GLY HA2 1 1 8 2278 1 1 12 GLY HA3 H -9.346 6.401 -2.539 1.00 . A A . 12 GLY HA3 1 1 8 2279 1 1 12 GLY N N -7.832 5.109 -3.107 1.00 . A A . 12 GLY N 1 1 8 2280 1 1 12 GLY O O -9.662 5.104 -0.030 1.00 . A A . 12 GLY O 1 1 8 2281 1 1 13 GLY C C -11.326 1.867 -1.654 1.00 . A A . 13 GLY C 1 1 8 2282 1 1 13 GLY CA C -10.212 2.550 -0.885 1.00 . A A . 13 GLY CA 1 1 8 2283 1 1 13 GLY H H -9.242 3.365 -2.581 1.00 . A A . 13 GLY H 1 1 8 2284 1 1 13 GLY HA2 H -9.490 1.807 -0.583 1.00 . A A . 13 GLY HA2 1 1 8 2285 1 1 13 GLY HA3 H -10.631 3.010 -0.002 1.00 . A A . 13 GLY HA3 1 1 8 2286 1 1 13 GLY N N -9.539 3.568 -1.669 1.00 . A A . 13 GLY N 1 1 8 2287 1 1 13 GLY O O -12.468 2.327 -1.648 1.00 . A A . 13 GLY O 1 1 8 2288 1 1 14 VAL C C -12.652 -1.049 -2.251 1.00 . A A . 14 VAL C 1 1 8 2289 1 1 14 VAL CA C -11.974 0.019 -3.101 1.00 . A A . 14 VAL CA 1 1 8 2290 1 1 14 VAL CB C -11.324 -0.651 -4.326 1.00 . A A . 14 VAL CB 1 1 8 2291 1 1 14 VAL CG1 C -12.372 -1.380 -5.154 1.00 . A A . 14 VAL CG1 1 1 8 2292 1 1 14 VAL CG2 C -10.589 0.380 -5.169 1.00 . A A . 14 VAL CG2 1 1 8 2293 1 1 14 VAL H H -10.067 0.449 -2.289 1.00 . A A . 14 VAL H 1 1 8 2294 1 1 14 VAL HA H -12.722 0.715 -3.451 1.00 . A A . 14 VAL HA 1 1 8 2295 1 1 14 VAL HB H -10.606 -1.376 -3.975 1.00 . A A . 14 VAL HB 1 1 8 2296 1 1 14 VAL HG11 H -11.900 -1.830 -6.015 1.00 . A A . 14 VAL HG11 1 1 8 2297 1 1 14 VAL HG12 H -12.836 -2.148 -4.553 1.00 . A A . 14 VAL HG12 1 1 8 2298 1 1 14 VAL HG13 H -13.123 -0.677 -5.483 1.00 . A A . 14 VAL HG13 1 1 8 2299 1 1 14 VAL HG21 H -10.645 1.345 -4.688 1.00 . A A . 14 VAL HG21 1 1 8 2300 1 1 14 VAL HG22 H -9.555 0.088 -5.273 1.00 . A A . 14 VAL HG22 1 1 8 2301 1 1 14 VAL HG23 H -11.046 0.439 -6.147 1.00 . A A . 14 VAL HG23 1 1 8 2302 1 1 14 VAL N N -10.994 0.767 -2.322 1.00 . A A . 14 VAL N 1 1 8 2303 1 1 14 VAL O O -13.843 -1.316 -2.404 1.00 . A A . 14 VAL O 1 1 8 2304 1 1 15 GLY C C -11.866 -4.064 -0.803 1.00 . A A . 15 GLY C 1 1 8 2305 1 1 15 GLY CA C -12.428 -2.691 -0.490 1.00 . A A . 15 GLY CA 1 1 8 2306 1 1 15 GLY H H -10.941 -1.405 -1.274 1.00 . A A . 15 GLY H 1 1 8 2307 1 1 15 GLY HA2 H -12.200 -2.446 0.536 1.00 . A A . 15 GLY HA2 1 1 8 2308 1 1 15 GLY HA3 H -13.501 -2.719 -0.613 1.00 . A A . 15 GLY HA3 1 1 8 2309 1 1 15 GLY N N -11.884 -1.659 -1.352 1.00 . A A . 15 GLY N 1 1 8 2310 1 1 15 GLY O O -12.453 -5.082 -0.437 1.00 . A A . 15 GLY O 1 1 8 2311 1 1 16 LYS C C -8.971 -5.697 -0.862 1.00 . A A . 16 LYS C 1 1 8 2312 1 1 16 LYS CA C -10.082 -5.349 -1.847 1.00 . A A . 16 LYS CA 1 1 8 2313 1 1 16 LYS CB C -9.512 -5.263 -3.265 1.00 . A A . 16 LYS CB 1 1 8 2314 1 1 16 LYS CD C -11.699 -5.507 -4.475 1.00 . A A . 16 LYS CD 1 1 8 2315 1 1 16 LYS CE C -12.871 -5.019 -3.637 1.00 . A A . 16 LYS CE 1 1 8 2316 1 1 16 LYS CG C -10.468 -4.642 -4.268 1.00 . A A . 16 LYS CG 1 1 8 2317 1 1 16 LYS H H -10.305 -3.247 -1.748 1.00 . A A . 16 LYS H 1 1 8 2318 1 1 16 LYS HA H -10.830 -6.126 -1.816 1.00 . A A . 16 LYS HA 1 1 8 2319 1 1 16 LYS HB2 H -8.610 -4.669 -3.242 1.00 . A A . 16 LYS HB2 1 1 8 2320 1 1 16 LYS HB3 H -9.267 -6.260 -3.603 1.00 . A A . 16 LYS HB3 1 1 8 2321 1 1 16 LYS HD2 H -11.980 -5.477 -5.517 1.00 . A A . 16 LYS HD2 1 1 8 2322 1 1 16 LYS HD3 H -11.465 -6.524 -4.193 1.00 . A A . 16 LYS HD3 1 1 8 2323 1 1 16 LYS HE2 H -12.827 -5.494 -2.669 1.00 . A A . 16 LYS HE2 1 1 8 2324 1 1 16 LYS HE3 H -12.789 -3.949 -3.516 1.00 . A A . 16 LYS HE3 1 1 8 2325 1 1 16 LYS HG2 H -10.779 -3.674 -3.904 1.00 . A A . 16 LYS HG2 1 1 8 2326 1 1 16 LYS HG3 H -9.958 -4.526 -5.214 1.00 . A A . 16 LYS HG3 1 1 8 2327 1 1 16 LYS HZ1 H -14.131 -5.158 -5.297 1.00 . A A . 16 LYS HZ1 1 1 8 2328 1 1 16 LYS HZ2 H -14.929 -4.744 -3.864 1.00 . A A . 16 LYS HZ2 1 1 8 2329 1 1 16 LYS HZ3 H -14.419 -6.336 -4.118 1.00 . A A . 16 LYS HZ3 1 1 8 2330 1 1 16 LYS N N -10.725 -4.092 -1.484 1.00 . A A . 16 LYS N 1 1 8 2331 1 1 16 LYS NZ N -14.179 -5.337 -4.274 1.00 . A A . 16 LYS NZ 1 1 8 2332 1 1 16 LYS O O -9.013 -6.739 -0.207 1.00 . A A . 16 LYS O 1 1 8 2333 1 1 17 SER C C -7.346 -5.341 1.555 1.00 . A A . 17 SER C 1 1 8 2334 1 1 17 SER CA C -6.856 -5.034 0.144 1.00 . A A . 17 SER CA 1 1 8 2335 1 1 17 SER CB C -5.946 -3.803 0.164 1.00 . A A . 17 SER CB 1 1 8 2336 1 1 17 SER H H -8.002 -4.006 -1.310 1.00 . A A . 17 SER H 1 1 8 2337 1 1 17 SER HA H -6.294 -5.880 -0.222 1.00 . A A . 17 SER HA 1 1 8 2338 1 1 17 SER HB2 H -5.324 -3.804 -0.718 1.00 . A A . 17 SER HB2 1 1 8 2339 1 1 17 SER HB3 H -6.554 -2.910 0.175 1.00 . A A . 17 SER HB3 1 1 8 2340 1 1 17 SER HG H -4.662 -2.959 1.378 1.00 . A A . 17 SER HG 1 1 8 2341 1 1 17 SER N N -7.979 -4.818 -0.761 1.00 . A A . 17 SER N 1 1 8 2342 1 1 17 SER O O -6.690 -6.060 2.310 1.00 . A A . 17 SER O 1 1 8 2343 1 1 17 SER OG O -5.113 -3.804 1.310 1.00 . A A . 17 SER OG 1 1 8 2344 1 1 18 HIS C C -9.174 -6.494 3.545 1.00 . A A . 18 HIS C 1 1 8 2345 1 1 18 HIS CA C -9.084 -5.005 3.227 1.00 . A A . 18 HIS CA 1 1 8 2346 1 1 18 HIS CB C -10.472 -4.370 3.307 1.00 . A A . 18 HIS CB 1 1 8 2347 1 1 18 HIS CD2 C -11.346 -1.998 3.888 1.00 . A A . 18 HIS CD2 1 1 8 2348 1 1 18 HIS CE1 C -9.647 -0.836 3.133 1.00 . A A . 18 HIS CE1 1 1 8 2349 1 1 18 HIS CG C -10.443 -2.875 3.390 1.00 . A A . 18 HIS CG 1 1 8 2350 1 1 18 HIS H H -8.980 -4.227 1.261 1.00 . A A . 18 HIS H 1 1 8 2351 1 1 18 HIS HA H -8.440 -4.533 3.953 1.00 . A A . 18 HIS HA 1 1 8 2352 1 1 18 HIS HB2 H -11.037 -4.641 2.427 1.00 . A A . 18 HIS HB2 1 1 8 2353 1 1 18 HIS HB3 H -10.982 -4.742 4.184 1.00 . A A . 18 HIS HB3 1 1 8 2354 1 1 18 HIS HD1 H -8.577 -2.462 2.504 1.00 . A A . 18 HIS HD1 1 1 8 2355 1 1 18 HIS HD2 H -12.298 -2.243 4.338 1.00 . A A . 18 HIS HD2 1 1 8 2356 1 1 18 HIS HE1 H -9.002 -0.011 2.871 1.00 . A A . 18 HIS HE1 1 1 8 2357 1 1 18 HIS N N -8.504 -4.790 1.906 1.00 . A A . 18 HIS N 1 1 8 2358 1 1 18 HIS ND1 N -9.391 -2.115 2.924 1.00 . A A . 18 HIS ND1 1 1 8 2359 1 1 18 HIS NE2 N -10.828 -0.738 3.717 1.00 . A A . 18 HIS NE2 1 1 8 2360 1 1 18 HIS O O -9.100 -6.897 4.706 1.00 . A A . 18 HIS O 1 1 8 2361 1 1 19 VAL C C -8.102 -9.348 3.112 1.00 . A A . 19 VAL C 1 1 8 2362 1 1 19 VAL CA C -9.435 -8.753 2.675 1.00 . A A . 19 VAL CA 1 1 8 2363 1 1 19 VAL CB C -9.889 -9.440 1.373 1.00 . A A . 19 VAL CB 1 1 8 2364 1 1 19 VAL CG1 C -10.034 -10.939 1.583 1.00 . A A . 19 VAL CG1 1 1 8 2365 1 1 19 VAL CG2 C -11.194 -8.834 0.879 1.00 . A A . 19 VAL CG2 1 1 8 2366 1 1 19 VAL H H -9.387 -6.927 1.605 1.00 . A A . 19 VAL H 1 1 8 2367 1 1 19 VAL HA H -10.174 -8.950 3.438 1.00 . A A . 19 VAL HA 1 1 8 2368 1 1 19 VAL HB H -9.132 -9.275 0.620 1.00 . A A . 19 VAL HB 1 1 8 2369 1 1 19 VAL HG11 H -10.269 -11.136 2.619 1.00 . A A . 19 VAL HG11 1 1 8 2370 1 1 19 VAL HG12 H -10.827 -11.316 0.954 1.00 . A A . 19 VAL HG12 1 1 8 2371 1 1 19 VAL HG13 H -9.106 -11.429 1.326 1.00 . A A . 19 VAL HG13 1 1 8 2372 1 1 19 VAL HG21 H -11.468 -8.003 1.511 1.00 . A A . 19 VAL HG21 1 1 8 2373 1 1 19 VAL HG22 H -11.068 -8.489 -0.136 1.00 . A A . 19 VAL HG22 1 1 8 2374 1 1 19 VAL HG23 H -11.973 -9.582 0.911 1.00 . A A . 19 VAL HG23 1 1 8 2375 1 1 19 VAL N N -9.335 -7.308 2.506 1.00 . A A . 19 VAL N 1 1 8 2376 1 1 19 VAL O O -8.037 -10.107 4.079 1.00 . A A . 19 VAL O 1 1 8 2377 1 1 20 TRP C C -4.970 -8.539 3.637 1.00 . A A . 20 TRP C 1 1 8 2378 1 1 20 TRP CA C -5.707 -9.499 2.709 1.00 . A A . 20 TRP CA 1 1 8 2379 1 1 20 TRP CB C -4.901 -9.706 1.426 1.00 . A A . 20 TRP CB 1 1 8 2380 1 1 20 TRP CD1 C -6.422 -10.141 -0.591 1.00 . A A . 20 TRP CD1 1 1 8 2381 1 1 20 TRP CD2 C -5.548 -11.992 0.319 1.00 . A A . 20 TRP CD2 1 1 8 2382 1 1 20 TRP CE2 C -6.357 -12.366 -0.771 1.00 . A A . 20 TRP CE2 1 1 8 2383 1 1 20 TRP CE3 C -4.892 -12.990 1.045 1.00 . A A . 20 TRP CE3 1 1 8 2384 1 1 20 TRP CG C -5.603 -10.564 0.417 1.00 . A A . 20 TRP CG 1 1 8 2385 1 1 20 TRP CH2 C -5.874 -14.652 -0.421 1.00 . A A . 20 TRP CH2 1 1 8 2386 1 1 20 TRP CZ2 C -6.527 -13.695 -1.149 1.00 . A A . 20 TRP CZ2 1 1 8 2387 1 1 20 TRP CZ3 C -5.062 -14.308 0.669 1.00 . A A . 20 TRP CZ3 1 1 8 2388 1 1 20 TRP H H -7.156 -8.390 1.635 1.00 . A A . 20 TRP H 1 1 8 2389 1 1 20 TRP HA H -5.820 -10.449 3.210 1.00 . A A . 20 TRP HA 1 1 8 2390 1 1 20 TRP HB2 H -4.708 -8.747 0.970 1.00 . A A . 20 TRP HB2 1 1 8 2391 1 1 20 TRP HB3 H -3.962 -10.180 1.672 1.00 . A A . 20 TRP HB3 1 1 8 2392 1 1 20 TRP HD1 H -6.667 -9.108 -0.782 1.00 . A A . 20 TRP HD1 1 1 8 2393 1 1 20 TRP HE1 H -7.481 -11.175 -2.082 1.00 . A A . 20 TRP HE1 1 1 8 2394 1 1 20 TRP HE3 H -4.262 -12.745 1.888 1.00 . A A . 20 TRP HE3 1 1 8 2395 1 1 20 TRP HH2 H -5.978 -15.694 -0.679 1.00 . A A . 20 TRP HH2 1 1 8 2396 1 1 20 TRP HZ2 H -7.149 -13.976 -1.987 1.00 . A A . 20 TRP HZ2 1 1 8 2397 1 1 20 TRP HZ3 H -4.564 -15.093 1.218 1.00 . A A . 20 TRP HZ3 1 1 8 2398 1 1 20 TRP N N -7.040 -8.999 2.395 1.00 . A A . 20 TRP N 1 1 8 2399 1 1 20 TRP NE1 N -6.879 -11.220 -1.309 1.00 . A A . 20 TRP NE1 1 1 8 2400 1 1 20 TRP O O -3.925 -8.876 4.193 1.00 . A A . 20 TRP O 1 1 9 2401 1 1 1 MET C C 3.098 -0.991 -0.916 1.00 . A A . 1 MET C 1 1 9 2402 1 1 1 MET CA C 1.983 0.051 -0.909 1.00 . A A . 1 MET CA 1 1 9 2403 1 1 1 MET CB C 2.580 1.454 -1.034 1.00 . A A . 1 MET CB 1 1 9 2404 1 1 1 MET CE C 4.003 4.157 -3.443 1.00 . A A . 1 MET CE 1 1 9 2405 1 1 1 MET CG C 3.245 1.714 -2.376 1.00 . A A . 1 MET CG 1 1 9 2406 1 1 1 MET H1 H 1.627 0.009 1.177 1.00 . A A . 1 MET H1 1 1 9 2407 1 1 1 MET HA H 1.332 -0.130 -1.751 1.00 . A A . 1 MET HA 1 1 9 2408 1 1 1 MET HB2 H 1.792 2.180 -0.900 1.00 . A A . 1 MET HB2 1 1 9 2409 1 1 1 MET HB3 H 3.319 1.589 -0.258 1.00 . A A . 1 MET HB3 1 1 9 2410 1 1 1 MET HE1 H 3.118 4.642 -3.056 1.00 . A A . 1 MET HE1 1 1 9 2411 1 1 1 MET HE2 H 4.777 4.893 -3.599 1.00 . A A . 1 MET HE2 1 1 9 2412 1 1 1 MET HE3 H 3.769 3.675 -4.381 1.00 . A A . 1 MET HE3 1 1 9 2413 1 1 1 MET HG2 H 3.656 0.786 -2.745 1.00 . A A . 1 MET HG2 1 1 9 2414 1 1 1 MET HG3 H 2.499 2.075 -3.068 1.00 . A A . 1 MET HG3 1 1 9 2415 1 1 1 MET N N 1.183 -0.053 0.306 1.00 . A A . 1 MET N 1 1 9 2416 1 1 1 MET O O 4.275 -0.655 -1.047 1.00 . A A . 1 MET O 1 1 9 2417 1 1 1 MET SD S 4.572 2.930 -2.269 1.00 . A A . 1 MET SD 1 1 9 2418 1 1 2 THR C C 3.436 -4.317 -1.910 1.00 . A A . 2 THR C 1 1 9 2419 1 1 2 THR CA C 3.687 -3.347 -0.761 1.00 . A A . 2 THR CA 1 1 9 2420 1 1 2 THR CB C 3.643 -4.123 0.569 1.00 . A A . 2 THR CB 1 1 9 2421 1 1 2 THR CG2 C 2.336 -4.888 0.707 1.00 . A A . 2 THR CG2 1 1 9 2422 1 1 2 THR H H 1.766 -2.461 -0.672 1.00 . A A . 2 THR H 1 1 9 2423 1 1 2 THR HA H 4.673 -2.919 -0.872 1.00 . A A . 2 THR HA 1 1 9 2424 1 1 2 THR HB H 3.716 -3.415 1.383 1.00 . A A . 2 THR HB 1 1 9 2425 1 1 2 THR HG1 H 4.484 -5.882 0.275 1.00 . A A . 2 THR HG1 1 1 9 2426 1 1 2 THR HG21 H 1.508 -4.196 0.668 1.00 . A A . 2 THR HG21 1 1 9 2427 1 1 2 THR HG22 H 2.323 -5.412 1.651 1.00 . A A . 2 THR HG22 1 1 9 2428 1 1 2 THR HG23 H 2.249 -5.600 -0.101 1.00 . A A . 2 THR HG23 1 1 9 2429 1 1 2 THR N N 2.720 -2.257 -0.773 1.00 . A A . 2 THR N 1 1 9 2430 1 1 2 THR O O 4.365 -4.945 -2.417 1.00 . A A . 2 THR O 1 1 9 2431 1 1 2 THR OG1 O 4.746 -5.034 0.642 1.00 . A A . 2 THR OG1 1 1 9 2432 1 1 3 GLU C C 0.550 -4.828 -4.117 1.00 . A A . 3 GLU C 1 1 9 2433 1 1 3 GLU CA C 1.805 -5.328 -3.406 1.00 . A A . 3 GLU CA 1 1 9 2434 1 1 3 GLU CB C 1.574 -6.745 -2.877 1.00 . A A . 3 GLU CB 1 1 9 2435 1 1 3 GLU CD C 0.833 -9.102 -3.402 1.00 . A A . 3 GLU CD 1 1 9 2436 1 1 3 GLU CG C 0.881 -7.661 -3.871 1.00 . A A . 3 GLU CG 1 1 9 2437 1 1 3 GLU H H 1.480 -3.906 -1.872 1.00 . A A . 3 GLU H 1 1 9 2438 1 1 3 GLU HA H 2.621 -5.346 -4.112 1.00 . A A . 3 GLU HA 1 1 9 2439 1 1 3 GLU HB2 H 2.529 -7.181 -2.622 1.00 . A A . 3 GLU HB2 1 1 9 2440 1 1 3 GLU HB3 H 0.966 -6.688 -1.986 1.00 . A A . 3 GLU HB3 1 1 9 2441 1 1 3 GLU HG2 H -0.131 -7.312 -4.017 1.00 . A A . 3 GLU HG2 1 1 9 2442 1 1 3 GLU HG3 H 1.413 -7.621 -4.810 1.00 . A A . 3 GLU HG3 1 1 9 2443 1 1 3 GLU N N 2.176 -4.433 -2.316 1.00 . A A . 3 GLU N 1 1 9 2444 1 1 3 GLU O O 0.595 -4.454 -5.289 1.00 . A A . 3 GLU O 1 1 9 2445 1 1 3 GLU OE1 O 1.829 -9.565 -2.808 1.00 . A A . 3 GLU OE1 1 1 9 2446 1 1 3 GLU OE2 O -0.200 -9.766 -3.628 1.00 . A A . 3 GLU OE2 1 1 9 2447 1 1 4 TYR C C -2.276 -3.061 -3.325 1.00 . A A . 4 TYR C 1 1 9 2448 1 1 4 TYR CA C -1.835 -4.376 -3.961 1.00 . A A . 4 TYR CA 1 1 9 2449 1 1 4 TYR CB C -2.915 -5.441 -3.756 1.00 . A A . 4 TYR CB 1 1 9 2450 1 1 4 TYR CD1 C -3.128 -5.428 -1.240 1.00 . A A . 4 TYR CD1 1 1 9 2451 1 1 4 TYR CD2 C -2.495 -7.464 -2.305 1.00 . A A . 4 TYR CD2 1 1 9 2452 1 1 4 TYR CE1 C -3.064 -6.048 -0.007 1.00 . A A . 4 TYR CE1 1 1 9 2453 1 1 4 TYR CE2 C -2.430 -8.092 -1.076 1.00 . A A . 4 TYR CE2 1 1 9 2454 1 1 4 TYR CG C -2.844 -6.123 -2.409 1.00 . A A . 4 TYR CG 1 1 9 2455 1 1 4 TYR CZ C -2.715 -7.380 0.070 1.00 . A A . 4 TYR CZ 1 1 9 2456 1 1 4 TYR H H -0.540 -5.136 -2.470 1.00 . A A . 4 TYR H 1 1 9 2457 1 1 4 TYR HA H -1.693 -4.221 -5.020 1.00 . A A . 4 TYR HA 1 1 9 2458 1 1 4 TYR HB2 H -3.886 -4.980 -3.843 1.00 . A A . 4 TYR HB2 1 1 9 2459 1 1 4 TYR HB3 H -2.811 -6.199 -4.518 1.00 . A A . 4 TYR HB3 1 1 9 2460 1 1 4 TYR HD1 H -3.402 -4.385 -1.304 1.00 . A A . 4 TYR HD1 1 1 9 2461 1 1 4 TYR HD2 H -2.272 -8.020 -3.205 1.00 . A A . 4 TYR HD2 1 1 9 2462 1 1 4 TYR HE1 H -3.288 -5.490 0.890 1.00 . A A . 4 TYR HE1 1 1 9 2463 1 1 4 TYR HE2 H -2.156 -9.135 -1.016 1.00 . A A . 4 TYR HE2 1 1 9 2464 1 1 4 TYR HH H -2.887 -7.374 1.984 1.00 . A A . 4 TYR HH 1 1 9 2465 1 1 4 TYR N N -0.568 -4.826 -3.399 1.00 . A A . 4 TYR N 1 1 9 2466 1 1 4 TYR O O -3.062 -2.310 -3.904 1.00 . A A . 4 TYR O 1 1 9 2467 1 1 4 TYR OH O -2.652 -8.001 1.296 1.00 . A A . 4 TYR OH 1 1 9 2468 1 1 5 LYS C C -1.657 -0.333 -2.201 1.00 . A A . 5 LYS C 1 1 9 2469 1 1 5 LYS CA C -2.100 -1.562 -1.415 1.00 . A A . 5 LYS CA 1 1 9 2470 1 1 5 LYS CB C -1.446 -1.559 -0.031 1.00 . A A . 5 LYS CB 1 1 9 2471 1 1 5 LYS CD C -1.242 -3.012 2.008 1.00 . A A . 5 LYS CD 1 1 9 2472 1 1 5 LYS CE C -0.679 -1.964 2.956 1.00 . A A . 5 LYS CE 1 1 9 2473 1 1 5 LYS CG C -2.192 -2.393 0.996 1.00 . A A . 5 LYS CG 1 1 9 2474 1 1 5 LYS H H -1.142 -3.425 -1.720 1.00 . A A . 5 LYS H 1 1 9 2475 1 1 5 LYS HA H -3.173 -1.532 -1.297 1.00 . A A . 5 LYS HA 1 1 9 2476 1 1 5 LYS HB2 H -0.443 -1.948 -0.120 1.00 . A A . 5 LYS HB2 1 1 9 2477 1 1 5 LYS HB3 H -1.398 -0.542 0.329 1.00 . A A . 5 LYS HB3 1 1 9 2478 1 1 5 LYS HD2 H -1.776 -3.752 2.585 1.00 . A A . 5 LYS HD2 1 1 9 2479 1 1 5 LYS HD3 H -0.425 -3.484 1.481 1.00 . A A . 5 LYS HD3 1 1 9 2480 1 1 5 LYS HE2 H 0.194 -2.371 3.444 1.00 . A A . 5 LYS HE2 1 1 9 2481 1 1 5 LYS HE3 H -0.398 -1.093 2.383 1.00 . A A . 5 LYS HE3 1 1 9 2482 1 1 5 LYS HG2 H -2.895 -1.761 1.518 1.00 . A A . 5 LYS HG2 1 1 9 2483 1 1 5 LYS HG3 H -2.725 -3.183 0.486 1.00 . A A . 5 LYS HG3 1 1 9 2484 1 1 5 LYS HZ1 H -2.637 -1.725 3.645 1.00 . A A . 5 LYS HZ1 1 1 9 2485 1 1 5 LYS HZ2 H -1.560 -0.555 4.222 1.00 . A A . 5 LYS HZ2 1 1 9 2486 1 1 5 LYS HZ3 H -1.527 -2.122 4.859 1.00 . A A . 5 LYS HZ3 1 1 9 2487 1 1 5 LYS N N -1.763 -2.787 -2.131 1.00 . A A . 5 LYS N 1 1 9 2488 1 1 5 LYS NZ N -1.670 -1.564 3.993 1.00 . A A . 5 LYS NZ 1 1 9 2489 1 1 5 LYS O O -2.117 0.780 -1.944 1.00 . A A . 5 LYS O 1 1 9 2490 1 1 6 LEU C C -1.213 0.849 -5.138 1.00 . A A . 6 LEU C 1 1 9 2491 1 1 6 LEU CA C -0.258 0.550 -3.986 1.00 . A A . 6 LEU CA 1 1 9 2492 1 1 6 LEU CB C 1.128 0.203 -4.535 1.00 . A A . 6 LEU CB 1 1 9 2493 1 1 6 LEU CD1 C 1.204 -0.582 -6.914 1.00 . A A . 6 LEU CD1 1 1 9 2494 1 1 6 LEU CD2 C 2.431 -1.851 -5.142 1.00 . A A . 6 LEU CD2 1 1 9 2495 1 1 6 LEU CG C 1.199 -1.015 -5.456 1.00 . A A . 6 LEU CG 1 1 9 2496 1 1 6 LEU H H -0.433 -1.450 -3.319 1.00 . A A . 6 LEU H 1 1 9 2497 1 1 6 LEU HA H -0.179 1.428 -3.363 1.00 . A A . 6 LEU HA 1 1 9 2498 1 1 6 LEU HB2 H 1.488 1.057 -5.087 1.00 . A A . 6 LEU HB2 1 1 9 2499 1 1 6 LEU HB3 H 1.780 0.020 -3.692 1.00 . A A . 6 LEU HB3 1 1 9 2500 1 1 6 LEU HD11 H 2.195 -0.256 -7.189 1.00 . A A . 6 LEU HD11 1 1 9 2501 1 1 6 LEU HD12 H 0.507 0.232 -7.050 1.00 . A A . 6 LEU HD12 1 1 9 2502 1 1 6 LEU HD13 H 0.911 -1.414 -7.538 1.00 . A A . 6 LEU HD13 1 1 9 2503 1 1 6 LEU HD21 H 2.165 -2.640 -4.455 1.00 . A A . 6 LEU HD21 1 1 9 2504 1 1 6 LEU HD22 H 3.186 -1.222 -4.694 1.00 . A A . 6 LEU HD22 1 1 9 2505 1 1 6 LEU HD23 H 2.816 -2.281 -6.055 1.00 . A A . 6 LEU HD23 1 1 9 2506 1 1 6 LEU HG H 0.325 -1.632 -5.295 1.00 . A A . 6 LEU HG 1 1 9 2507 1 1 6 LEU N N -0.762 -0.541 -3.161 1.00 . A A . 6 LEU N 1 1 9 2508 1 1 6 LEU O O -1.098 1.879 -5.802 1.00 . A A . 6 LEU O 1 1 9 2509 1 1 7 VAL C C -4.543 0.262 -5.873 1.00 . A A . 7 VAL C 1 1 9 2510 1 1 7 VAL CA C -3.134 0.109 -6.436 1.00 . A A . 7 VAL CA 1 1 9 2511 1 1 7 VAL CB C -3.109 -1.084 -7.411 1.00 . A A . 7 VAL CB 1 1 9 2512 1 1 7 VAL CG1 C -4.160 -0.907 -8.497 1.00 . A A . 7 VAL CG1 1 1 9 2513 1 1 7 VAL CG2 C -1.724 -1.245 -8.019 1.00 . A A . 7 VAL CG2 1 1 9 2514 1 1 7 VAL H H -2.197 -0.859 -4.804 1.00 . A A . 7 VAL H 1 1 9 2515 1 1 7 VAL HA H -2.878 1.002 -6.986 1.00 . A A . 7 VAL HA 1 1 9 2516 1 1 7 VAL HB H -3.343 -1.981 -6.857 1.00 . A A . 7 VAL HB 1 1 9 2517 1 1 7 VAL HG11 H -5.109 -1.283 -8.143 1.00 . A A . 7 VAL HG11 1 1 9 2518 1 1 7 VAL HG12 H -4.254 0.141 -8.740 1.00 . A A . 7 VAL HG12 1 1 9 2519 1 1 7 VAL HG13 H -3.862 -1.457 -9.378 1.00 . A A . 7 VAL HG13 1 1 9 2520 1 1 7 VAL HG21 H -1.219 -0.291 -8.024 1.00 . A A . 7 VAL HG21 1 1 9 2521 1 1 7 VAL HG22 H -1.155 -1.951 -7.433 1.00 . A A . 7 VAL HG22 1 1 9 2522 1 1 7 VAL HG23 H -1.816 -1.610 -9.032 1.00 . A A . 7 VAL HG23 1 1 9 2523 1 1 7 VAL N N -2.156 -0.059 -5.367 1.00 . A A . 7 VAL N 1 1 9 2524 1 1 7 VAL O O -5.230 1.245 -6.149 1.00 . A A . 7 VAL O 1 1 9 2525 1 1 8 VAL C C -6.423 0.455 -3.482 1.00 . A A . 8 VAL C 1 1 9 2526 1 1 8 VAL CA C -6.294 -0.692 -4.478 1.00 . A A . 8 VAL CA 1 1 9 2527 1 1 8 VAL CB C -6.610 -2.018 -3.760 1.00 . A A . 8 VAL CB 1 1 9 2528 1 1 8 VAL CG1 C -8.019 -1.993 -3.188 1.00 . A A . 8 VAL CG1 1 1 9 2529 1 1 8 VAL CG2 C -6.433 -3.193 -4.710 1.00 . A A . 8 VAL CG2 1 1 9 2530 1 1 8 VAL H H -4.374 -1.476 -4.899 1.00 . A A . 8 VAL H 1 1 9 2531 1 1 8 VAL HA H -7.018 -0.553 -5.268 1.00 . A A . 8 VAL HA 1 1 9 2532 1 1 8 VAL HB H -5.915 -2.135 -2.942 1.00 . A A . 8 VAL HB 1 1 9 2533 1 1 8 VAL HG11 H -8.444 -1.008 -3.320 1.00 . A A . 8 VAL HG11 1 1 9 2534 1 1 8 VAL HG12 H -8.630 -2.721 -3.701 1.00 . A A . 8 VAL HG12 1 1 9 2535 1 1 8 VAL HG13 H -7.984 -2.230 -2.135 1.00 . A A . 8 VAL HG13 1 1 9 2536 1 1 8 VAL HG21 H -7.062 -4.011 -4.393 1.00 . A A . 8 VAL HG21 1 1 9 2537 1 1 8 VAL HG22 H -6.709 -2.892 -5.709 1.00 . A A . 8 VAL HG22 1 1 9 2538 1 1 8 VAL HG23 H -5.400 -3.510 -4.702 1.00 . A A . 8 VAL HG23 1 1 9 2539 1 1 8 VAL N N -4.967 -0.718 -5.082 1.00 . A A . 8 VAL N 1 1 9 2540 1 1 8 VAL O O -7.289 1.319 -3.622 1.00 . A A . 8 VAL O 1 1 9 2541 1 1 9 VAL C C -4.911 2.778 -1.967 1.00 . A A . 9 VAL C 1 1 9 2542 1 1 9 VAL CA C -5.568 1.501 -1.457 1.00 . A A . 9 VAL CA 1 1 9 2543 1 1 9 VAL CB C -4.847 1.042 -0.175 1.00 . A A . 9 VAL CB 1 1 9 2544 1 1 9 VAL CG1 C -5.056 2.050 0.945 1.00 . A A . 9 VAL CG1 1 1 9 2545 1 1 9 VAL CG2 C -5.330 -0.339 0.242 1.00 . A A . 9 VAL CG2 1 1 9 2546 1 1 9 VAL H H -4.887 -0.257 -2.418 1.00 . A A . 9 VAL H 1 1 9 2547 1 1 9 VAL HA H -6.599 1.711 -1.209 1.00 . A A . 9 VAL HA 1 1 9 2548 1 1 9 VAL HB H -3.789 0.983 -0.383 1.00 . A A . 9 VAL HB 1 1 9 2549 1 1 9 VAL HG11 H -4.920 1.561 1.899 1.00 . A A . 9 VAL HG11 1 1 9 2550 1 1 9 VAL HG12 H -4.341 2.853 0.845 1.00 . A A . 9 VAL HG12 1 1 9 2551 1 1 9 VAL HG13 H -6.058 2.450 0.886 1.00 . A A . 9 VAL HG13 1 1 9 2552 1 1 9 VAL HG21 H -5.623 -0.319 1.282 1.00 . A A . 9 VAL HG21 1 1 9 2553 1 1 9 VAL HG22 H -6.176 -0.623 -0.366 1.00 . A A . 9 VAL HG22 1 1 9 2554 1 1 9 VAL HG23 H -4.532 -1.055 0.107 1.00 . A A . 9 VAL HG23 1 1 9 2555 1 1 9 VAL N N -5.554 0.458 -2.476 1.00 . A A . 9 VAL N 1 1 9 2556 1 1 9 VAL O O -5.277 3.881 -1.564 1.00 . A A . 9 VAL O 1 1 9 2557 1 1 10 GLY C C -4.174 4.701 -4.164 1.00 . A A . 10 GLY C 1 1 9 2558 1 1 10 GLY CA C -3.245 3.770 -3.411 1.00 . A A . 10 GLY CA 1 1 9 2559 1 1 10 GLY H H -3.688 1.716 -3.144 1.00 . A A . 10 GLY H 1 1 9 2560 1 1 10 GLY HA2 H -2.778 4.317 -2.606 1.00 . A A . 10 GLY HA2 1 1 9 2561 1 1 10 GLY HA3 H -2.478 3.422 -4.088 1.00 . A A . 10 GLY HA3 1 1 9 2562 1 1 10 GLY N N -3.938 2.620 -2.859 1.00 . A A . 10 GLY N 1 1 9 2563 1 1 10 GLY O O -3.852 5.868 -4.381 1.00 . A A . 10 GLY O 1 1 9 2564 1 1 11 ALA C C -7.194 5.775 -4.343 1.00 . A A . 11 ALA C 1 1 9 2565 1 1 11 ALA CA C -6.310 4.977 -5.296 1.00 . A A . 11 ALA CA 1 1 9 2566 1 1 11 ALA CB C -7.162 4.079 -6.181 1.00 . A A . 11 ALA CB 1 1 9 2567 1 1 11 ALA H H -5.531 3.246 -4.360 1.00 . A A . 11 ALA H 1 1 9 2568 1 1 11 ALA HA H -5.773 5.664 -5.934 1.00 . A A . 11 ALA HA 1 1 9 2569 1 1 11 ALA HB1 H -6.525 3.551 -6.876 1.00 . A A . 11 ALA HB1 1 1 9 2570 1 1 11 ALA HB2 H -7.693 3.367 -5.566 1.00 . A A . 11 ALA HB2 1 1 9 2571 1 1 11 ALA HB3 H -7.871 4.682 -6.728 1.00 . A A . 11 ALA HB3 1 1 9 2572 1 1 11 ALA N N -5.331 4.184 -4.564 1.00 . A A . 11 ALA N 1 1 9 2573 1 1 11 ALA O O -7.450 6.958 -4.562 1.00 . A A . 11 ALA O 1 1 9 2574 1 1 12 GLY C C -9.154 4.811 -1.346 1.00 . A A . 12 GLY C 1 1 9 2575 1 1 12 GLY CA C -8.507 5.783 -2.312 1.00 . A A . 12 GLY CA 1 1 9 2576 1 1 12 GLY H H -7.419 4.176 -3.159 1.00 . A A . 12 GLY H 1 1 9 2577 1 1 12 GLY HA2 H -7.912 6.489 -1.752 1.00 . A A . 12 GLY HA2 1 1 9 2578 1 1 12 GLY HA3 H -9.283 6.320 -2.838 1.00 . A A . 12 GLY HA3 1 1 9 2579 1 1 12 GLY N N -7.657 5.119 -3.283 1.00 . A A . 12 GLY N 1 1 9 2580 1 1 12 GLY O O -9.448 5.162 -0.204 1.00 . A A . 12 GLY O 1 1 9 2581 1 1 13 GLY C C -11.171 1.897 -1.636 1.00 . A A . 13 GLY C 1 1 9 2582 1 1 13 GLY CA C -9.996 2.577 -0.962 1.00 . A A . 13 GLY CA 1 1 9 2583 1 1 13 GLY H H -9.124 3.360 -2.726 1.00 . A A . 13 GLY H 1 1 9 2584 1 1 13 GLY HA2 H -9.257 1.830 -0.712 1.00 . A A . 13 GLY HA2 1 1 9 2585 1 1 13 GLY HA3 H -10.339 3.047 -0.053 1.00 . A A . 13 GLY HA3 1 1 9 2586 1 1 13 GLY N N -9.379 3.583 -1.806 1.00 . A A . 13 GLY N 1 1 9 2587 1 1 13 GLY O O -12.306 2.365 -1.540 1.00 . A A . 13 GLY O 1 1 9 2588 1 1 14 VAL C C -12.570 -1.003 -2.101 1.00 . A A . 14 VAL C 1 1 9 2589 1 1 14 VAL CA C -11.945 0.045 -3.014 1.00 . A A . 14 VAL CA 1 1 9 2590 1 1 14 VAL CB C -11.396 -0.649 -4.274 1.00 . A A . 14 VAL CB 1 1 9 2591 1 1 14 VAL CG1 C -12.516 -1.350 -5.028 1.00 . A A . 14 VAL CG1 1 1 9 2592 1 1 14 VAL CG2 C -10.688 0.356 -5.170 1.00 . A A . 14 VAL CG2 1 1 9 2593 1 1 14 VAL H H -9.976 0.467 -2.360 1.00 . A A . 14 VAL H 1 1 9 2594 1 1 14 VAL HA H -12.709 0.746 -3.318 1.00 . A A . 14 VAL HA 1 1 9 2595 1 1 14 VAL HB H -10.678 -1.394 -3.967 1.00 . A A . 14 VAL HB 1 1 9 2596 1 1 14 VAL HG11 H -12.990 -2.072 -4.378 1.00 . A A . 14 VAL HG11 1 1 9 2597 1 1 14 VAL HG12 H -13.245 -0.622 -5.351 1.00 . A A . 14 VAL HG12 1 1 9 2598 1 1 14 VAL HG13 H -12.107 -1.858 -5.889 1.00 . A A . 14 VAL HG13 1 1 9 2599 1 1 14 VAL HG21 H -11.143 1.328 -5.051 1.00 . A A . 14 VAL HG21 1 1 9 2600 1 1 14 VAL HG22 H -9.645 0.409 -4.895 1.00 . A A . 14 VAL HG22 1 1 9 2601 1 1 14 VAL HG23 H -10.773 0.043 -6.201 1.00 . A A . 14 VAL HG23 1 1 9 2602 1 1 14 VAL N N -10.900 0.790 -2.321 1.00 . A A . 14 VAL N 1 1 9 2603 1 1 14 VAL O O -13.772 -1.258 -2.162 1.00 . A A . 14 VAL O 1 1 9 2604 1 1 15 GLY C C -11.707 -4.005 -0.667 1.00 . A A . 15 GLY C 1 1 9 2605 1 1 15 GLY CA C -12.235 -2.623 -0.337 1.00 . A A . 15 GLY CA 1 1 9 2606 1 1 15 GLY H H -10.795 -1.364 -1.247 1.00 . A A . 15 GLY H 1 1 9 2607 1 1 15 GLY HA2 H -11.932 -2.363 0.667 1.00 . A A . 15 GLY HA2 1 1 9 2608 1 1 15 GLY HA3 H -13.314 -2.642 -0.383 1.00 . A A . 15 GLY HA3 1 1 9 2609 1 1 15 GLY N N -11.745 -1.609 -1.252 1.00 . A A . 15 GLY N 1 1 9 2610 1 1 15 GLY O O -12.281 -5.012 -0.251 1.00 . A A . 15 GLY O 1 1 9 2611 1 1 16 LYS C C -8.877 -5.700 -0.852 1.00 . A A . 16 LYS C 1 1 9 2612 1 1 16 LYS CA C -10.007 -5.324 -1.805 1.00 . A A . 16 LYS CA 1 1 9 2613 1 1 16 LYS CB C -9.475 -5.242 -3.238 1.00 . A A . 16 LYS CB 1 1 9 2614 1 1 16 LYS CD C -11.729 -5.401 -4.334 1.00 . A A . 16 LYS CD 1 1 9 2615 1 1 16 LYS CE C -12.835 -4.823 -3.464 1.00 . A A . 16 LYS CE 1 1 9 2616 1 1 16 LYS CG C -10.446 -4.597 -4.211 1.00 . A A . 16 LYS CG 1 1 9 2617 1 1 16 LYS H H -10.201 -3.217 -1.719 1.00 . A A . 16 LYS H 1 1 9 2618 1 1 16 LYS HA H -10.771 -6.084 -1.757 1.00 . A A . 16 LYS HA 1 1 9 2619 1 1 16 LYS HB2 H -8.561 -4.666 -3.237 1.00 . A A . 16 LYS HB2 1 1 9 2620 1 1 16 LYS HB3 H -9.259 -6.242 -3.586 1.00 . A A . 16 LYS HB3 1 1 9 2621 1 1 16 LYS HD2 H -12.054 -5.389 -5.364 1.00 . A A . 16 LYS HD2 1 1 9 2622 1 1 16 LYS HD3 H -11.537 -6.419 -4.027 1.00 . A A . 16 LYS HD3 1 1 9 2623 1 1 16 LYS HE2 H -12.804 -5.305 -2.499 1.00 . A A . 16 LYS HE2 1 1 9 2624 1 1 16 LYS HE3 H -12.662 -3.763 -3.343 1.00 . A A . 16 LYS HE3 1 1 9 2625 1 1 16 LYS HG2 H -10.688 -3.605 -3.861 1.00 . A A . 16 LYS HG2 1 1 9 2626 1 1 16 LYS HG3 H -9.977 -4.533 -5.183 1.00 . A A . 16 LYS HG3 1 1 9 2627 1 1 16 LYS HZ1 H -14.816 -4.252 -3.796 1.00 . A A . 16 LYS HZ1 1 1 9 2628 1 1 16 LYS HZ2 H -14.587 -5.927 -3.735 1.00 . A A . 16 LYS HZ2 1 1 9 2629 1 1 16 LYS HZ3 H -14.107 -5.057 -5.104 1.00 . A A . 16 LYS HZ3 1 1 9 2630 1 1 16 LYS N N -10.612 -4.055 -1.418 1.00 . A A . 16 LYS N 1 1 9 2631 1 1 16 LYS NZ N -14.180 -5.029 -4.067 1.00 . A A . 16 LYS NZ 1 1 9 2632 1 1 16 LYS O O -8.904 -6.762 -0.231 1.00 . A A . 16 LYS O 1 1 9 2633 1 1 17 SER C C -7.207 -5.418 1.544 1.00 . A A . 17 SER C 1 1 9 2634 1 1 17 SER CA C -6.744 -5.064 0.133 1.00 . A A . 17 SER CA 1 1 9 2635 1 1 17 SER CB C -5.836 -3.833 0.176 1.00 . A A . 17 SER CB 1 1 9 2636 1 1 17 SER H H -7.920 -3.993 -1.264 1.00 . A A . 17 SER H 1 1 9 2637 1 1 17 SER HA H -6.188 -5.898 -0.270 1.00 . A A . 17 SER HA 1 1 9 2638 1 1 17 SER HB2 H -5.224 -3.810 -0.713 1.00 . A A . 17 SER HB2 1 1 9 2639 1 1 17 SER HB3 H -6.445 -2.942 0.217 1.00 . A A . 17 SER HB3 1 1 9 2640 1 1 17 SER HG H -5.425 -3.423 2.046 1.00 . A A . 17 SER HG 1 1 9 2641 1 1 17 SER N N -7.885 -4.822 -0.742 1.00 . A A . 17 SER N 1 1 9 2642 1 1 17 SER O O -6.537 -6.162 2.261 1.00 . A A . 17 SER O 1 1 9 2643 1 1 17 SER OG O -4.990 -3.862 1.312 1.00 . A A . 17 SER OG 1 1 9 2644 1 1 18 HIS C C -9.028 -6.635 3.517 1.00 . A A . 18 HIS C 1 1 9 2645 1 1 18 HIS CA C -8.911 -5.136 3.259 1.00 . A A . 18 HIS CA 1 1 9 2646 1 1 18 HIS CB C -10.282 -4.474 3.399 1.00 . A A . 18 HIS CB 1 1 9 2647 1 1 18 HIS CD2 C -10.961 -2.134 4.287 1.00 . A A . 18 HIS CD2 1 1 9 2648 1 1 18 HIS CE1 C -9.485 -0.936 3.195 1.00 . A A . 18 HIS CE1 1 1 9 2649 1 1 18 HIS CG C -10.217 -2.985 3.543 1.00 . A A . 18 HIS CG 1 1 9 2650 1 1 18 HIS H H -8.844 -4.293 1.318 1.00 . A A . 18 HIS H 1 1 9 2651 1 1 18 HIS HA H -8.239 -4.709 3.988 1.00 . A A . 18 HIS HA 1 1 9 2652 1 1 18 HIS HB2 H -10.873 -4.697 2.523 1.00 . A A . 18 HIS HB2 1 1 9 2653 1 1 18 HIS HB3 H -10.779 -4.872 4.273 1.00 . A A . 18 HIS HB3 1 1 9 2654 1 1 18 HIS HD1 H -8.619 -2.529 2.247 1.00 . A A . 18 HIS HD1 1 1 9 2655 1 1 18 HIS HD2 H -11.777 -2.401 4.944 1.00 . A A . 18 HIS HD2 1 1 9 2656 1 1 18 HIS HE1 H -8.914 -0.099 2.822 1.00 . A A . 18 HIS HE1 1 1 9 2657 1 1 18 HIS N N -8.357 -4.878 1.935 1.00 . A A . 18 HIS N 1 1 9 2658 1 1 18 HIS ND1 N -9.302 -2.203 2.869 1.00 . A A . 18 HIS ND1 1 1 9 2659 1 1 18 HIS NE2 N -10.486 -0.867 4.054 1.00 . A A . 18 HIS NE2 1 1 9 2660 1 1 18 HIS O O -8.961 -7.086 4.660 1.00 . A A . 18 HIS O 1 1 9 2661 1 1 19 VAL C C -8.007 -9.488 2.973 1.00 . A A . 19 VAL C 1 1 9 2662 1 1 19 VAL CA C -9.328 -8.851 2.556 1.00 . A A . 19 VAL CA 1 1 9 2663 1 1 19 VAL CB C -9.789 -9.477 1.226 1.00 . A A . 19 VAL CB 1 1 9 2664 1 1 19 VAL CG1 C -9.965 -10.981 1.376 1.00 . A A . 19 VAL CG1 1 1 9 2665 1 1 19 VAL CG2 C -11.079 -8.826 0.750 1.00 . A A . 19 VAL CG2 1 1 9 2666 1 1 19 VAL H H -9.247 -6.985 1.560 1.00 . A A . 19 VAL H 1 1 9 2667 1 1 19 VAL HA H -10.073 -9.066 3.308 1.00 . A A . 19 VAL HA 1 1 9 2668 1 1 19 VAL HB H -9.025 -9.299 0.484 1.00 . A A . 19 VAL HB 1 1 9 2669 1 1 19 VAL HG11 H -10.658 -11.183 2.179 1.00 . A A . 19 VAL HG11 1 1 9 2670 1 1 19 VAL HG12 H -10.350 -11.392 0.454 1.00 . A A . 19 VAL HG12 1 1 9 2671 1 1 19 VAL HG13 H -9.011 -11.434 1.603 1.00 . A A . 19 VAL HG13 1 1 9 2672 1 1 19 VAL HG21 H -10.895 -7.787 0.521 1.00 . A A . 19 VAL HG21 1 1 9 2673 1 1 19 VAL HG22 H -11.433 -9.334 -0.135 1.00 . A A . 19 VAL HG22 1 1 9 2674 1 1 19 VAL HG23 H -11.826 -8.896 1.528 1.00 . A A . 19 VAL HG23 1 1 9 2675 1 1 19 VAL N N -9.203 -7.403 2.446 1.00 . A A . 19 VAL N 1 1 9 2676 1 1 19 VAL O O -7.959 -10.282 3.912 1.00 . A A . 19 VAL O 1 1 9 2677 1 1 20 TRP C C -4.791 -8.670 3.372 1.00 . A A . 20 TRP C 1 1 9 2678 1 1 20 TRP CA C -5.615 -9.669 2.568 1.00 . A A . 20 TRP CA 1 1 9 2679 1 1 20 TRP CB C -4.883 -10.026 1.273 1.00 . A A . 20 TRP CB 1 1 9 2680 1 1 20 TRP CD1 C -6.504 -10.360 -0.685 1.00 . A A . 20 TRP CD1 1 1 9 2681 1 1 20 TRP CD2 C -5.843 -12.261 0.297 1.00 . A A . 20 TRP CD2 1 1 9 2682 1 1 20 TRP CE2 C -6.724 -12.581 -0.754 1.00 . A A . 20 TRP CE2 1 1 9 2683 1 1 20 TRP CE3 C -5.297 -13.299 1.058 1.00 . A A . 20 TRP CE3 1 1 9 2684 1 1 20 TRP CG C -5.715 -10.835 0.324 1.00 . A A . 20 TRP CG 1 1 9 2685 1 1 20 TRP CH2 C -6.521 -14.890 -0.300 1.00 . A A . 20 TRP CH2 1 1 9 2686 1 1 20 TRP CZ2 C -7.070 -13.894 -1.061 1.00 . A A . 20 TRP CZ2 1 1 9 2687 1 1 20 TRP CZ3 C -5.642 -14.601 0.752 1.00 . A A . 20 TRP CZ3 1 1 9 2688 1 1 20 TRP H H -7.040 -8.495 1.532 1.00 . A A . 20 TRP H 1 1 9 2689 1 1 20 TRP HA H -5.746 -10.566 3.155 1.00 . A A . 20 TRP HA 1 1 9 2690 1 1 20 TRP HB2 H -4.592 -9.117 0.769 1.00 . A A . 20 TRP HB2 1 1 9 2691 1 1 20 TRP HB3 H -3.999 -10.599 1.514 1.00 . A A . 20 TRP HB3 1 1 9 2692 1 1 20 TRP HD1 H -6.622 -9.314 -0.922 1.00 . A A . 20 TRP HD1 1 1 9 2693 1 1 20 TRP HE1 H -7.727 -11.320 -2.097 1.00 . A A . 20 TRP HE1 1 1 9 2694 1 1 20 TRP HE3 H -4.617 -13.096 1.872 1.00 . A A . 20 TRP HE3 1 1 9 2695 1 1 20 TRP HH2 H -6.763 -15.922 -0.503 1.00 . A A . 20 TRP HH2 1 1 9 2696 1 1 20 TRP HZ2 H -7.746 -14.133 -1.869 1.00 . A A . 20 TRP HZ2 1 1 9 2697 1 1 20 TRP HZ3 H -5.230 -15.416 1.329 1.00 . A A . 20 TRP HZ3 1 1 9 2698 1 1 20 TRP N N -6.938 -9.133 2.270 1.00 . A A . 20 TRP N 1 1 9 2699 1 1 20 TRP NE1 N -7.114 -11.404 -1.337 1.00 . A A . 20 TRP NE1 1 1 9 2700 1 1 20 TRP O O -4.077 -9.045 4.303 1.00 . A A . 20 TRP O 1 1 10 2701 1 1 1 MET C C 3.098 -1.082 -1.190 1.00 . A A . 1 MET C 1 1 10 2702 1 1 1 MET CA C 2.021 -0.002 -1.172 1.00 . A A . 1 MET CA 1 1 10 2703 1 1 1 MET CB C 2.664 1.377 -1.331 1.00 . A A . 1 MET CB 1 1 10 2704 1 1 1 MET CE C 3.633 4.280 -2.064 1.00 . A A . 1 MET CE 1 1 10 2705 1 1 1 MET CG C 3.283 1.605 -2.700 1.00 . A A . 1 MET CG 1 1 10 2706 1 1 1 MET H1 H 1.707 0.042 0.920 1.00 . A A . 1 MET H1 1 1 10 2707 1 1 1 MET HA H 1.345 -0.171 -1.997 1.00 . A A . 1 MET HA 1 1 10 2708 1 1 1 MET HB2 H 1.910 2.133 -1.171 1.00 . A A . 1 MET HB2 1 1 10 2709 1 1 1 MET HB3 H 3.438 1.489 -0.587 1.00 . A A . 1 MET HB3 1 1 10 2710 1 1 1 MET HE1 H 3.531 5.017 -2.848 1.00 . A A . 1 MET HE1 1 1 10 2711 1 1 1 MET HE2 H 2.653 3.953 -1.749 1.00 . A A . 1 MET HE2 1 1 10 2712 1 1 1 MET HE3 H 4.155 4.715 -1.225 1.00 . A A . 1 MET HE3 1 1 10 2713 1 1 1 MET HG2 H 3.723 0.680 -3.041 1.00 . A A . 1 MET HG2 1 1 10 2714 1 1 1 MET HG3 H 2.505 1.905 -3.386 1.00 . A A . 1 MET HG3 1 1 10 2715 1 1 1 MET N N 1.246 -0.060 0.061 1.00 . A A . 1 MET N 1 1 10 2716 1 1 1 MET O O 4.282 -0.791 -1.364 1.00 . A A . 1 MET O 1 1 10 2717 1 1 1 MET SD S 4.561 2.878 -2.682 1.00 . A A . 1 MET SD 1 1 10 2718 1 1 2 THR C C 3.289 -4.438 -2.122 1.00 . A A . 2 THR C 1 1 10 2719 1 1 2 THR CA C 3.608 -3.455 -1.002 1.00 . A A . 2 THR CA 1 1 10 2720 1 1 2 THR CB C 3.577 -4.201 0.345 1.00 . A A . 2 THR CB 1 1 10 2721 1 1 2 THR CG2 C 2.249 -4.917 0.537 1.00 . A A . 2 THR CG2 1 1 10 2722 1 1 2 THR H H 1.724 -2.499 -0.874 1.00 . A A . 2 THR H 1 1 10 2723 1 1 2 THR HA H 4.605 -3.065 -1.150 1.00 . A A . 2 THR HA 1 1 10 2724 1 1 2 THR HB H 3.699 -3.481 1.142 1.00 . A A . 2 THR HB 1 1 10 2725 1 1 2 THR HG1 H 4.403 -5.941 -0.079 1.00 . A A . 2 THR HG1 1 1 10 2726 1 1 2 THR HG21 H 2.246 -5.420 1.492 1.00 . A A . 2 THR HG21 1 1 10 2727 1 1 2 THR HG22 H 2.114 -5.643 -0.252 1.00 . A A . 2 THR HG22 1 1 10 2728 1 1 2 THR HG23 H 1.444 -4.198 0.506 1.00 . A A . 2 THR HG23 1 1 10 2729 1 1 2 THR N N 2.680 -2.331 -1.008 1.00 . A A . 2 THR N 1 1 10 2730 1 1 2 THR O O 4.178 -5.115 -2.637 1.00 . A A . 2 THR O 1 1 10 2731 1 1 2 THR OG1 O 4.649 -5.149 0.405 1.00 . A A . 2 THR OG1 1 1 10 2732 1 1 3 GLU C C 0.323 -4.883 -4.238 1.00 . A A . 3 GLU C 1 1 10 2733 1 1 3 GLU CA C 1.581 -5.412 -3.555 1.00 . A A . 3 GLU CA 1 1 10 2734 1 1 3 GLU CB C 1.318 -6.810 -2.991 1.00 . A A . 3 GLU CB 1 1 10 2735 1 1 3 GLU CD C 0.617 -9.177 -3.525 1.00 . A A . 3 GLU CD 1 1 10 2736 1 1 3 GLU CG C 0.569 -7.722 -3.948 1.00 . A A . 3 GLU CG 1 1 10 2737 1 1 3 GLU H H 1.353 -3.945 -2.046 1.00 . A A . 3 GLU H 1 1 10 2738 1 1 3 GLU HA H 2.373 -5.472 -4.285 1.00 . A A . 3 GLU HA 1 1 10 2739 1 1 3 GLU HB2 H 2.264 -7.272 -2.752 1.00 . A A . 3 GLU HB2 1 1 10 2740 1 1 3 GLU HB3 H 0.735 -6.716 -2.086 1.00 . A A . 3 GLU HB3 1 1 10 2741 1 1 3 GLU HG2 H -0.464 -7.409 -3.989 1.00 . A A . 3 GLU HG2 1 1 10 2742 1 1 3 GLU HG3 H 1.010 -7.633 -4.930 1.00 . A A . 3 GLU HG3 1 1 10 2743 1 1 3 GLU N N 2.015 -4.510 -2.495 1.00 . A A . 3 GLU N 1 1 10 2744 1 1 3 GLU O O 0.345 -4.528 -5.417 1.00 . A A . 3 GLU O 1 1 10 2745 1 1 3 GLU OE1 O -0.084 -9.536 -2.555 1.00 . A A . 3 GLU OE1 1 1 10 2746 1 1 3 GLU OE2 O 1.355 -9.957 -4.162 1.00 . A A . 3 GLU OE2 1 1 10 2747 1 1 4 TYR C C -2.418 -3.009 -3.400 1.00 . A A . 4 TYR C 1 1 10 2748 1 1 4 TYR CA C -2.042 -4.350 -4.021 1.00 . A A . 4 TYR CA 1 1 10 2749 1 1 4 TYR CB C -3.149 -5.373 -3.763 1.00 . A A . 4 TYR CB 1 1 10 2750 1 1 4 TYR CD1 C -3.286 -5.302 -1.243 1.00 . A A . 4 TYR CD1 1 1 10 2751 1 1 4 TYR CD2 C -2.757 -7.380 -2.282 1.00 . A A . 4 TYR CD2 1 1 10 2752 1 1 4 TYR CE1 C -3.207 -5.898 0.001 1.00 . A A . 4 TYR CE1 1 1 10 2753 1 1 4 TYR CE2 C -2.677 -7.985 -1.043 1.00 . A A . 4 TYR CE2 1 1 10 2754 1 1 4 TYR CG C -3.062 -6.030 -2.404 1.00 . A A . 4 TYR CG 1 1 10 2755 1 1 4 TYR CZ C -2.902 -7.240 0.096 1.00 . A A . 4 TYR CZ 1 1 10 2756 1 1 4 TYR H H -0.729 -5.130 -2.556 1.00 . A A . 4 TYR H 1 1 10 2757 1 1 4 TYR HA H -1.926 -4.221 -5.087 1.00 . A A . 4 TYR HA 1 1 10 2758 1 1 4 TYR HB2 H -4.107 -4.881 -3.832 1.00 . A A . 4 TYR HB2 1 1 10 2759 1 1 4 TYR HB3 H -3.094 -6.150 -4.512 1.00 . A A . 4 TYR HB3 1 1 10 2760 1 1 4 TYR HD1 H -3.525 -4.251 -1.321 1.00 . A A . 4 TYR HD1 1 1 10 2761 1 1 4 TYR HD2 H -2.581 -7.961 -3.176 1.00 . A A . 4 TYR HD2 1 1 10 2762 1 1 4 TYR HE1 H -3.384 -5.314 0.892 1.00 . A A . 4 TYR HE1 1 1 10 2763 1 1 4 TYR HE2 H -2.438 -9.036 -0.968 1.00 . A A . 4 TYR HE2 1 1 10 2764 1 1 4 TYR HH H -2.239 -7.328 1.898 1.00 . A A . 4 TYR HH 1 1 10 2765 1 1 4 TYR N N -0.773 -4.833 -3.489 1.00 . A A . 4 TYR N 1 1 10 2766 1 1 4 TYR O O -3.197 -2.244 -3.969 1.00 . A A . 4 TYR O 1 1 10 2767 1 1 4 TYR OH O -2.824 -7.838 1.333 1.00 . A A . 4 TYR OH 1 1 10 2768 1 1 5 LYS C C -1.660 -0.282 -2.346 1.00 . A A . 5 LYS C 1 1 10 2769 1 1 5 LYS CA C -2.131 -1.480 -1.527 1.00 . A A . 5 LYS CA 1 1 10 2770 1 1 5 LYS CB C -1.445 -1.477 -0.160 1.00 . A A . 5 LYS CB 1 1 10 2771 1 1 5 LYS CD C -1.128 -2.970 1.836 1.00 . A A . 5 LYS CD 1 1 10 2772 1 1 5 LYS CE C -0.542 -1.915 2.762 1.00 . A A . 5 LYS CE 1 1 10 2773 1 1 5 LYS CG C -2.129 -2.366 0.865 1.00 . A A . 5 LYS CG 1 1 10 2774 1 1 5 LYS H H -1.245 -3.379 -1.824 1.00 . A A . 5 LYS H 1 1 10 2775 1 1 5 LYS HA H -3.199 -1.406 -1.385 1.00 . A A . 5 LYS HA 1 1 10 2776 1 1 5 LYS HB2 H -0.428 -1.819 -0.280 1.00 . A A . 5 LYS HB2 1 1 10 2777 1 1 5 LYS HB3 H -1.433 -0.467 0.222 1.00 . A A . 5 LYS HB3 1 1 10 2778 1 1 5 LYS HD2 H -1.626 -3.720 2.432 1.00 . A A . 5 LYS HD2 1 1 10 2779 1 1 5 LYS HD3 H -0.327 -3.429 1.273 1.00 . A A . 5 LYS HD3 1 1 10 2780 1 1 5 LYS HE2 H 0.356 -2.309 3.212 1.00 . A A . 5 LYS HE2 1 1 10 2781 1 1 5 LYS HE3 H -0.299 -1.039 2.179 1.00 . A A . 5 LYS HE3 1 1 10 2782 1 1 5 LYS HG2 H -2.842 -1.775 1.422 1.00 . A A . 5 LYS HG2 1 1 10 2783 1 1 5 LYS HG3 H -2.644 -3.164 0.350 1.00 . A A . 5 LYS HG3 1 1 10 2784 1 1 5 LYS HZ1 H -1.209 -1.963 4.741 1.00 . A A . 5 LYS HZ1 1 1 10 2785 1 1 5 LYS HZ2 H -2.454 -1.857 3.600 1.00 . A A . 5 LYS HZ2 1 1 10 2786 1 1 5 LYS HZ3 H -1.512 -0.498 3.950 1.00 . A A . 5 LYS HZ3 1 1 10 2787 1 1 5 LYS N N -1.858 -2.729 -2.228 1.00 . A A . 5 LYS N 1 1 10 2788 1 1 5 LYS NZ N -1.496 -1.531 3.839 1.00 . A A . 5 LYS NZ 1 1 10 2789 1 1 5 LYS O O -2.063 0.854 -2.093 1.00 . A A . 5 LYS O 1 1 10 2790 1 1 6 LEU C C -1.259 0.837 -5.313 1.00 . A A . 6 LEU C 1 1 10 2791 1 1 6 LEU CA C -0.281 0.513 -4.188 1.00 . A A . 6 LEU CA 1 1 10 2792 1 1 6 LEU CB C 1.069 0.097 -4.774 1.00 . A A . 6 LEU CB 1 1 10 2793 1 1 6 LEU CD1 C 1.081 -0.780 -7.123 1.00 . A A . 6 LEU CD1 1 1 10 2794 1 1 6 LEU CD2 C 2.249 -2.049 -5.311 1.00 . A A . 6 LEU CD2 1 1 10 2795 1 1 6 LEU CG C 1.063 -1.157 -5.649 1.00 . A A . 6 LEU CG 1 1 10 2796 1 1 6 LEU H H -0.522 -1.468 -3.484 1.00 . A A . 6 LEU H 1 1 10 2797 1 1 6 LEU HA H -0.144 1.395 -3.581 1.00 . A A . 6 LEU HA 1 1 10 2798 1 1 6 LEU HB2 H 1.436 0.916 -5.373 1.00 . A A . 6 LEU HB2 1 1 10 2799 1 1 6 LEU HB3 H 1.747 -0.077 -3.951 1.00 . A A . 6 LEU HB3 1 1 10 2800 1 1 6 LEU HD11 H 0.418 0.055 -7.288 1.00 . A A . 6 LEU HD11 1 1 10 2801 1 1 6 LEU HD12 H 0.754 -1.623 -7.714 1.00 . A A . 6 LEU HD12 1 1 10 2802 1 1 6 LEU HD13 H 2.085 -0.507 -7.412 1.00 . A A . 6 LEU HD13 1 1 10 2803 1 1 6 LEU HD21 H 2.055 -2.569 -4.385 1.00 . A A . 6 LEU HD21 1 1 10 2804 1 1 6 LEU HD22 H 3.136 -1.443 -5.205 1.00 . A A . 6 LEU HD22 1 1 10 2805 1 1 6 LEU HD23 H 2.397 -2.768 -6.104 1.00 . A A . 6 LEU HD23 1 1 10 2806 1 1 6 LEU HG H 0.158 -1.717 -5.459 1.00 . A A . 6 LEU HG 1 1 10 2807 1 1 6 LEU N N -0.806 -0.544 -3.330 1.00 . A A . 6 LEU N 1 1 10 2808 1 1 6 LEU O O -1.129 1.859 -5.988 1.00 . A A . 6 LEU O 1 1 10 2809 1 1 7 VAL C C -4.628 0.347 -5.949 1.00 . A A . 7 VAL C 1 1 10 2810 1 1 7 VAL CA C -3.241 0.155 -6.551 1.00 . A A . 7 VAL CA 1 1 10 2811 1 1 7 VAL CB C -3.276 -1.038 -7.525 1.00 . A A . 7 VAL CB 1 1 10 2812 1 1 7 VAL CG1 C -4.340 -0.825 -8.591 1.00 . A A . 7 VAL CG1 1 1 10 2813 1 1 7 VAL CG2 C -1.910 -1.249 -8.158 1.00 . A A . 7 VAL CG2 1 1 10 2814 1 1 7 VAL H H -2.290 -0.835 -4.940 1.00 . A A . 7 VAL H 1 1 10 2815 1 1 7 VAL HA H -2.975 1.041 -7.109 1.00 . A A . 7 VAL HA 1 1 10 2816 1 1 7 VAL HB H -3.532 -1.926 -6.966 1.00 . A A . 7 VAL HB 1 1 10 2817 1 1 7 VAL HG11 H -3.971 -1.177 -9.543 1.00 . A A . 7 VAL HG11 1 1 10 2818 1 1 7 VAL HG12 H -5.232 -1.373 -8.325 1.00 . A A . 7 VAL HG12 1 1 10 2819 1 1 7 VAL HG13 H -4.572 0.228 -8.663 1.00 . A A . 7 VAL HG13 1 1 10 2820 1 1 7 VAL HG21 H -2.033 -1.586 -9.177 1.00 . A A . 7 VAL HG21 1 1 10 2821 1 1 7 VAL HG22 H -1.362 -0.318 -8.150 1.00 . A A . 7 VAL HG22 1 1 10 2822 1 1 7 VAL HG23 H -1.363 -1.993 -7.597 1.00 . A A . 7 VAL HG23 1 1 10 2823 1 1 7 VAL N N -2.239 -0.040 -5.510 1.00 . A A . 7 VAL N 1 1 10 2824 1 1 7 VAL O O -5.284 1.362 -6.185 1.00 . A A . 7 VAL O 1 1 10 2825 1 1 8 VAL C C -6.427 0.528 -3.478 1.00 . A A . 8 VAL C 1 1 10 2826 1 1 8 VAL CA C -6.380 -0.573 -4.531 1.00 . A A . 8 VAL CA 1 1 10 2827 1 1 8 VAL CB C -6.746 -1.915 -3.871 1.00 . A A . 8 VAL CB 1 1 10 2828 1 1 8 VAL CG1 C -8.107 -1.826 -3.197 1.00 . A A . 8 VAL CG1 1 1 10 2829 1 1 8 VAL CG2 C -6.723 -3.038 -4.897 1.00 . A A . 8 VAL CG2 1 1 10 2830 1 1 8 VAL H H -4.502 -1.418 -5.018 1.00 . A A . 8 VAL H 1 1 10 2831 1 1 8 VAL HA H -7.114 -0.360 -5.295 1.00 . A A . 8 VAL HA 1 1 10 2832 1 1 8 VAL HB H -6.008 -2.134 -3.113 1.00 . A A . 8 VAL HB 1 1 10 2833 1 1 8 VAL HG11 H -8.772 -2.559 -3.631 1.00 . A A . 8 VAL HG11 1 1 10 2834 1 1 8 VAL HG12 H -7.999 -2.017 -2.140 1.00 . A A . 8 VAL HG12 1 1 10 2835 1 1 8 VAL HG13 H -8.517 -0.838 -3.345 1.00 . A A . 8 VAL HG13 1 1 10 2836 1 1 8 VAL HG21 H -5.806 -2.987 -5.466 1.00 . A A . 8 VAL HG21 1 1 10 2837 1 1 8 VAL HG22 H -6.781 -3.989 -4.391 1.00 . A A . 8 VAL HG22 1 1 10 2838 1 1 8 VAL HG23 H -7.566 -2.933 -5.565 1.00 . A A . 8 VAL HG23 1 1 10 2839 1 1 8 VAL N N -5.070 -0.634 -5.169 1.00 . A A . 8 VAL N 1 1 10 2840 1 1 8 VAL O O -7.228 1.459 -3.573 1.00 . A A . 8 VAL O 1 1 10 2841 1 1 9 VAL C C -4.859 2.699 -1.883 1.00 . A A . 9 VAL C 1 1 10 2842 1 1 9 VAL CA C -5.505 1.404 -1.402 1.00 . A A . 9 VAL CA 1 1 10 2843 1 1 9 VAL CB C -4.720 0.871 -0.190 1.00 . A A . 9 VAL CB 1 1 10 2844 1 1 9 VAL CG1 C -4.853 1.820 0.992 1.00 . A A . 9 VAL CG1 1 1 10 2845 1 1 9 VAL CG2 C -5.197 -0.525 0.181 1.00 . A A . 9 VAL CG2 1 1 10 2846 1 1 9 VAL H H -4.951 -0.347 -2.453 1.00 . A A . 9 VAL H 1 1 10 2847 1 1 9 VAL HA H -6.517 1.614 -1.086 1.00 . A A . 9 VAL HA 1 1 10 2848 1 1 9 VAL HB H -3.676 0.812 -0.460 1.00 . A A . 9 VAL HB 1 1 10 2849 1 1 9 VAL HG11 H -4.063 2.556 0.952 1.00 . A A . 9 VAL HG11 1 1 10 2850 1 1 9 VAL HG12 H -5.811 2.315 0.950 1.00 . A A . 9 VAL HG12 1 1 10 2851 1 1 9 VAL HG13 H -4.776 1.260 1.913 1.00 . A A . 9 VAL HG13 1 1 10 2852 1 1 9 VAL HG21 H -5.074 -1.185 -0.665 1.00 . A A . 9 VAL HG21 1 1 10 2853 1 1 9 VAL HG22 H -4.616 -0.894 1.013 1.00 . A A . 9 VAL HG22 1 1 10 2854 1 1 9 VAL HG23 H -6.240 -0.488 0.459 1.00 . A A . 9 VAL HG23 1 1 10 2855 1 1 9 VAL N N -5.564 0.417 -2.474 1.00 . A A . 9 VAL N 1 1 10 2856 1 1 9 VAL O O -5.110 3.771 -1.335 1.00 . A A . 9 VAL O 1 1 10 2857 1 1 10 GLY C C -4.329 4.783 -4.003 1.00 . A A . 10 GLY C 1 1 10 2858 1 1 10 GLY CA C -3.355 3.761 -3.451 1.00 . A A . 10 GLY CA 1 1 10 2859 1 1 10 GLY H H -3.863 1.710 -3.310 1.00 . A A . 10 GLY H 1 1 10 2860 1 1 10 GLY HA2 H -2.773 4.221 -2.667 1.00 . A A . 10 GLY HA2 1 1 10 2861 1 1 10 GLY HA3 H -2.691 3.448 -4.243 1.00 . A A . 10 GLY HA3 1 1 10 2862 1 1 10 GLY N N -4.025 2.591 -2.913 1.00 . A A . 10 GLY N 1 1 10 2863 1 1 10 GLY O O -3.980 5.950 -4.181 1.00 . A A . 10 GLY O 1 1 10 2864 1 1 11 ALA C C -7.403 5.856 -3.694 1.00 . A A . 11 ALA C 1 1 10 2865 1 1 11 ALA CA C -6.579 5.229 -4.814 1.00 . A A . 11 ALA CA 1 1 10 2866 1 1 11 ALA CB C -7.483 4.470 -5.774 1.00 . A A . 11 ALA CB 1 1 10 2867 1 1 11 ALA H H -5.771 3.403 -4.115 1.00 . A A . 11 ALA H 1 1 10 2868 1 1 11 ALA HA H -6.086 6.015 -5.367 1.00 . A A . 11 ALA HA 1 1 10 2869 1 1 11 ALA HB1 H -7.192 3.429 -5.794 1.00 . A A . 11 ALA HB1 1 1 10 2870 1 1 11 ALA HB2 H -8.508 4.551 -5.444 1.00 . A A . 11 ALA HB2 1 1 10 2871 1 1 11 ALA HB3 H -7.388 4.889 -6.764 1.00 . A A . 11 ALA HB3 1 1 10 2872 1 1 11 ALA N N -5.553 4.344 -4.278 1.00 . A A . 11 ALA N 1 1 10 2873 1 1 11 ALA O O -7.817 7.011 -3.786 1.00 . A A . 11 ALA O 1 1 10 2874 1 1 12 GLY C C -9.080 4.469 -0.731 1.00 . A A . 12 GLY C 1 1 10 2875 1 1 12 GLY CA C -8.412 5.582 -1.513 1.00 . A A . 12 GLY CA 1 1 10 2876 1 1 12 GLY H H -7.283 4.172 -2.617 1.00 . A A . 12 GLY H 1 1 10 2877 1 1 12 GLY HA2 H -7.757 6.129 -0.852 1.00 . A A . 12 GLY HA2 1 1 10 2878 1 1 12 GLY HA3 H -9.173 6.253 -1.885 1.00 . A A . 12 GLY HA3 1 1 10 2879 1 1 12 GLY N N -7.638 5.085 -2.636 1.00 . A A . 12 GLY N 1 1 10 2880 1 1 12 GLY O O -9.426 4.642 0.436 1.00 . A A . 12 GLY O 1 1 10 2881 1 1 13 GLY C C -11.036 1.612 -1.534 1.00 . A A . 13 GLY C 1 1 10 2882 1 1 13 GLY CA C -9.896 2.193 -0.720 1.00 . A A . 13 GLY CA 1 1 10 2883 1 1 13 GLY H H -8.967 3.241 -2.309 1.00 . A A . 13 GLY H 1 1 10 2884 1 1 13 GLY HA2 H -9.156 1.424 -0.557 1.00 . A A . 13 GLY HA2 1 1 10 2885 1 1 13 GLY HA3 H -10.281 2.517 0.236 1.00 . A A . 13 GLY HA3 1 1 10 2886 1 1 13 GLY N N -9.264 3.321 -1.378 1.00 . A A . 13 GLY N 1 1 10 2887 1 1 13 GLY O O -12.173 2.074 -1.440 1.00 . A A . 13 GLY O 1 1 10 2888 1 1 14 VAL C C -12.445 -1.167 -2.414 1.00 . A A . 14 VAL C 1 1 10 2889 1 1 14 VAL CA C -11.739 -0.047 -3.170 1.00 . A A . 14 VAL CA 1 1 10 2890 1 1 14 VAL CB C -11.117 -0.624 -4.456 1.00 . A A . 14 VAL CB 1 1 10 2891 1 1 14 VAL CG1 C -12.204 -1.121 -5.398 1.00 . A A . 14 VAL CG1 1 1 10 2892 1 1 14 VAL CG2 C -10.244 0.417 -5.139 1.00 . A A . 14 VAL CG2 1 1 10 2893 1 1 14 VAL H H -9.807 0.273 -2.367 1.00 . A A . 14 VAL H 1 1 10 2894 1 1 14 VAL HA H -12.467 0.700 -3.451 1.00 . A A . 14 VAL HA 1 1 10 2895 1 1 14 VAL HB H -10.495 -1.464 -4.186 1.00 . A A . 14 VAL HB 1 1 10 2896 1 1 14 VAL HG11 H -12.581 -2.069 -5.044 1.00 . A A . 14 VAL HG11 1 1 10 2897 1 1 14 VAL HG12 H -13.009 -0.401 -5.431 1.00 . A A . 14 VAL HG12 1 1 10 2898 1 1 14 VAL HG13 H -11.791 -1.246 -6.388 1.00 . A A . 14 VAL HG13 1 1 10 2899 1 1 14 VAL HG21 H -9.822 -0.001 -6.040 1.00 . A A . 14 VAL HG21 1 1 10 2900 1 1 14 VAL HG22 H -10.842 1.281 -5.388 1.00 . A A . 14 VAL HG22 1 1 10 2901 1 1 14 VAL HG23 H -9.447 0.713 -4.472 1.00 . A A . 14 VAL HG23 1 1 10 2902 1 1 14 VAL N N -10.731 0.597 -2.336 1.00 . A A . 14 VAL N 1 1 10 2903 1 1 14 VAL O O -13.613 -1.459 -2.664 1.00 . A A . 14 VAL O 1 1 10 2904 1 1 15 GLY C C -11.623 -4.201 -0.969 1.00 . A A . 15 GLY C 1 1 10 2905 1 1 15 GLY CA C -12.300 -2.871 -0.705 1.00 . A A . 15 GLY CA 1 1 10 2906 1 1 15 GLY H H -10.799 -1.515 -1.328 1.00 . A A . 15 GLY H 1 1 10 2907 1 1 15 GLY HA2 H -12.206 -2.633 0.344 1.00 . A A . 15 GLY HA2 1 1 10 2908 1 1 15 GLY HA3 H -13.349 -2.960 -0.950 1.00 . A A . 15 GLY HA3 1 1 10 2909 1 1 15 GLY N N -11.726 -1.791 -1.485 1.00 . A A . 15 GLY N 1 1 10 2910 1 1 15 GLY O O -12.202 -5.261 -0.729 1.00 . A A . 15 GLY O 1 1 10 2911 1 1 16 LYS C C -8.626 -5.653 -0.661 1.00 . A A . 16 LYS C 1 1 10 2912 1 1 16 LYS CA C -9.634 -5.356 -1.766 1.00 . A A . 16 LYS CA 1 1 10 2913 1 1 16 LYS CB C -8.908 -5.210 -3.106 1.00 . A A . 16 LYS CB 1 1 10 2914 1 1 16 LYS CD C -10.605 -6.059 -4.753 1.00 . A A . 16 LYS CD 1 1 10 2915 1 1 16 LYS CE C -11.992 -6.122 -4.132 1.00 . A A . 16 LYS CE 1 1 10 2916 1 1 16 LYS CG C -9.828 -4.849 -4.260 1.00 . A A . 16 LYS CG 1 1 10 2917 1 1 16 LYS H H -9.983 -3.272 -1.638 1.00 . A A . 16 LYS H 1 1 10 2918 1 1 16 LYS HA H -10.331 -6.178 -1.832 1.00 . A A . 16 LYS HA 1 1 10 2919 1 1 16 LYS HB2 H -8.160 -4.436 -3.014 1.00 . A A . 16 LYS HB2 1 1 10 2920 1 1 16 LYS HB3 H -8.420 -6.145 -3.341 1.00 . A A . 16 LYS HB3 1 1 10 2921 1 1 16 LYS HD2 H -10.706 -5.998 -5.826 1.00 . A A . 16 LYS HD2 1 1 10 2922 1 1 16 LYS HD3 H -10.061 -6.956 -4.491 1.00 . A A . 16 LYS HD3 1 1 10 2923 1 1 16 LYS HE2 H -12.292 -7.156 -4.059 1.00 . A A . 16 LYS HE2 1 1 10 2924 1 1 16 LYS HE3 H -11.949 -5.689 -3.144 1.00 . A A . 16 LYS HE3 1 1 10 2925 1 1 16 LYS HG2 H -10.528 -4.097 -3.928 1.00 . A A . 16 LYS HG2 1 1 10 2926 1 1 16 LYS HG3 H -9.234 -4.458 -5.073 1.00 . A A . 16 LYS HG3 1 1 10 2927 1 1 16 LYS HZ1 H -13.479 -4.672 -4.355 1.00 . A A . 16 LYS HZ1 1 1 10 2928 1 1 16 LYS HZ2 H -13.705 -6.041 -5.324 1.00 . A A . 16 LYS HZ2 1 1 10 2929 1 1 16 LYS HZ3 H -12.529 -4.897 -5.737 1.00 . A A . 16 LYS HZ3 1 1 10 2930 1 1 16 LYS N N -10.392 -4.147 -1.468 1.00 . A A . 16 LYS N 1 1 10 2931 1 1 16 LYS NZ N -12.997 -5.381 -4.944 1.00 . A A . 16 LYS NZ 1 1 10 2932 1 1 16 LYS O O -8.725 -6.671 0.025 1.00 . A A . 16 LYS O 1 1 10 2933 1 1 17 SER C C -7.259 -5.189 1.894 1.00 . A A . 17 SER C 1 1 10 2934 1 1 17 SER CA C -6.630 -4.926 0.529 1.00 . A A . 17 SER CA 1 1 10 2935 1 1 17 SER CB C -5.740 -3.684 0.596 1.00 . A A . 17 SER CB 1 1 10 2936 1 1 17 SER H H -7.632 -3.967 -1.071 1.00 . A A . 17 SER H 1 1 10 2937 1 1 17 SER HA H -6.026 -5.778 0.254 1.00 . A A . 17 SER HA 1 1 10 2938 1 1 17 SER HB2 H -5.126 -3.636 -0.291 1.00 . A A . 17 SER HB2 1 1 10 2939 1 1 17 SER HB3 H -6.361 -2.802 0.652 1.00 . A A . 17 SER HB3 1 1 10 2940 1 1 17 SER HG H -5.326 -3.278 2.467 1.00 . A A . 17 SER HG 1 1 10 2941 1 1 17 SER N N -7.658 -4.758 -0.492 1.00 . A A . 17 SER N 1 1 10 2942 1 1 17 SER O O -6.678 -5.872 2.738 1.00 . A A . 17 SER O 1 1 10 2943 1 1 17 SER OG O -4.896 -3.723 1.733 1.00 . A A . 17 SER OG 1 1 10 2944 1 1 18 HIS C C -9.289 -6.295 3.718 1.00 . A A . 18 HIS C 1 1 10 2945 1 1 18 HIS CA C -9.162 -4.816 3.366 1.00 . A A . 18 HIS CA 1 1 10 2946 1 1 18 HIS CB C -10.549 -4.178 3.288 1.00 . A A . 18 HIS CB 1 1 10 2947 1 1 18 HIS CD2 C -11.493 -1.775 3.536 1.00 . A A . 18 HIS CD2 1 1 10 2948 1 1 18 HIS CE1 C -9.667 -0.662 3.054 1.00 . A A . 18 HIS CE1 1 1 10 2949 1 1 18 HIS CG C -10.520 -2.680 3.280 1.00 . A A . 18 HIS CG 1 1 10 2950 1 1 18 HIS H H -8.865 -4.108 1.393 1.00 . A A . 18 HIS H 1 1 10 2951 1 1 18 HIS HA H -8.592 -4.322 4.139 1.00 . A A . 18 HIS HA 1 1 10 2952 1 1 18 HIS HB2 H -11.038 -4.504 2.382 1.00 . A A . 18 HIS HB2 1 1 10 2953 1 1 18 HIS HB3 H -11.133 -4.495 4.140 1.00 . A A . 18 HIS HB3 1 1 10 2954 1 1 18 HIS HD1 H -8.513 -2.323 2.750 1.00 . A A . 18 HIS HD1 1 1 10 2955 1 1 18 HIS HD2 H -12.517 -1.992 3.807 1.00 . A A . 18 HIS HD2 1 1 10 2956 1 1 18 HIS HE1 H -8.974 0.146 2.871 1.00 . A A . 18 HIS HE1 1 1 10 2957 1 1 18 HIS N N -8.452 -4.641 2.104 1.00 . A A . 18 HIS N 1 1 10 2958 1 1 18 HIS ND1 N -9.389 -1.951 2.980 1.00 . A A . 18 HIS ND1 1 1 10 2959 1 1 18 HIS NE2 N -10.937 -0.527 3.389 1.00 . A A . 18 HIS NE2 1 1 10 2960 1 1 18 HIS O O -9.356 -6.661 4.892 1.00 . A A . 18 HIS O 1 1 10 2961 1 1 19 VAL C C -8.099 -9.193 3.285 1.00 . A A . 19 VAL C 1 1 10 2962 1 1 19 VAL CA C -9.439 -8.581 2.895 1.00 . A A . 19 VAL CA 1 1 10 2963 1 1 19 VAL CB C -9.962 -9.283 1.628 1.00 . A A . 19 VAL CB 1 1 10 2964 1 1 19 VAL CG1 C -10.061 -10.785 1.852 1.00 . A A . 19 VAL CG1 1 1 10 2965 1 1 19 VAL CG2 C -11.309 -8.708 1.218 1.00 . A A . 19 VAL CG2 1 1 10 2966 1 1 19 VAL H H -9.263 -6.790 1.781 1.00 . A A . 19 VAL H 1 1 10 2967 1 1 19 VAL HA H -10.147 -8.749 3.693 1.00 . A A . 19 VAL HA 1 1 10 2968 1 1 19 VAL HB H -9.260 -9.107 0.827 1.00 . A A . 19 VAL HB 1 1 10 2969 1 1 19 VAL HG11 H -10.699 -11.220 1.097 1.00 . A A . 19 VAL HG11 1 1 10 2970 1 1 19 VAL HG12 H -9.076 -11.224 1.789 1.00 . A A . 19 VAL HG12 1 1 10 2971 1 1 19 VAL HG13 H -10.479 -10.976 2.829 1.00 . A A . 19 VAL HG13 1 1 10 2972 1 1 19 VAL HG21 H -11.532 -7.843 1.825 1.00 . A A . 19 VAL HG21 1 1 10 2973 1 1 19 VAL HG22 H -11.275 -8.419 0.178 1.00 . A A . 19 VAL HG22 1 1 10 2974 1 1 19 VAL HG23 H -12.078 -9.454 1.359 1.00 . A A . 19 VAL HG23 1 1 10 2975 1 1 19 VAL N N -9.321 -7.141 2.694 1.00 . A A . 19 VAL N 1 1 10 2976 1 1 19 VAL O O -7.987 -9.867 4.310 1.00 . A A . 19 VAL O 1 1 10 2977 1 1 20 TRP C C -4.914 -8.484 3.518 1.00 . A A . 20 TRP C 1 1 10 2978 1 1 20 TRP CA C -5.749 -9.482 2.723 1.00 . A A . 20 TRP CA 1 1 10 2979 1 1 20 TRP CB C -5.046 -9.819 1.407 1.00 . A A . 20 TRP CB 1 1 10 2980 1 1 20 TRP CD1 C -6.721 -10.241 -0.486 1.00 . A A . 20 TRP CD1 1 1 10 2981 1 1 20 TRP CD2 C -5.932 -12.103 0.477 1.00 . A A . 20 TRP CD2 1 1 10 2982 1 1 20 TRP CE2 C -6.835 -12.471 -0.539 1.00 . A A . 20 TRP CE2 1 1 10 2983 1 1 20 TRP CE3 C -5.307 -13.108 1.220 1.00 . A A . 20 TRP CE3 1 1 10 2984 1 1 20 TRP CG C -5.873 -10.672 0.494 1.00 . A A . 20 TRP CG 1 1 10 2985 1 1 20 TRP CH2 C -6.503 -14.765 -0.084 1.00 . A A . 20 TRP CH2 1 1 10 2986 1 1 20 TRP CZ2 C -7.128 -13.801 -0.827 1.00 . A A . 20 TRP CZ2 1 1 10 2987 1 1 20 TRP CZ3 C -5.600 -14.428 0.933 1.00 . A A . 20 TRP CZ3 1 1 10 2988 1 1 20 TRP H H -7.235 -8.409 1.662 1.00 . A A . 20 TRP H 1 1 10 2989 1 1 20 TRP HA H -5.858 -10.386 3.304 1.00 . A A . 20 TRP HA 1 1 10 2990 1 1 20 TRP HB2 H -4.812 -8.902 0.886 1.00 . A A . 20 TRP HB2 1 1 10 2991 1 1 20 TRP HB3 H -4.130 -10.350 1.622 1.00 . A A . 20 TRP HB3 1 1 10 2992 1 1 20 TRP HD1 H -6.900 -9.203 -0.723 1.00 . A A . 20 TRP HD1 1 1 10 2993 1 1 20 TRP HE1 H -7.948 -11.267 -1.847 1.00 . A A . 20 TRP HE1 1 1 10 2994 1 1 20 TRP HE3 H -4.608 -12.868 2.008 1.00 . A A . 20 TRP HE3 1 1 10 2995 1 1 20 TRP HH2 H -6.701 -15.808 -0.274 1.00 . A A . 20 TRP HH2 1 1 10 2996 1 1 20 TRP HZ2 H -7.822 -14.077 -1.609 1.00 . A A . 20 TRP HZ2 1 1 10 2997 1 1 20 TRP HZ3 H -5.127 -15.219 1.497 1.00 . A A . 20 TRP HZ3 1 1 10 2998 1 1 20 TRP N N -7.084 -8.954 2.463 1.00 . A A . 20 TRP N 1 1 10 2999 1 1 20 TRP NE1 N -7.304 -11.318 -1.111 1.00 . A A . 20 TRP NE1 1 1 10 3000 1 1 20 TRP O O -3.884 -8.839 4.093 1.00 . A A . 20 TRP O 1 1 11 3001 1 1 1 MET C C 3.056 -0.975 -1.027 1.00 . A A . 1 MET C 1 1 11 3002 1 1 1 MET CA C 1.962 0.087 -0.993 1.00 . A A . 1 MET CA 1 1 11 3003 1 1 1 MET CB C 2.581 1.479 -1.131 1.00 . A A . 1 MET CB 1 1 11 3004 1 1 1 MET CE C 5.147 2.908 -4.097 1.00 . A A . 1 MET CE 1 1 11 3005 1 1 1 MET CG C 3.231 1.724 -2.483 1.00 . A A . 1 MET CG 1 1 11 3006 1 1 1 MET H1 H 1.654 0.036 1.100 1.00 . A A . 1 MET H1 1 1 11 3007 1 1 1 MET HA H 1.288 -0.081 -1.820 1.00 . A A . 1 MET HA 1 1 11 3008 1 1 1 MET HB2 H 1.808 2.220 -0.988 1.00 . A A . 1 MET HB2 1 1 11 3009 1 1 1 MET HB3 H 3.333 1.603 -0.366 1.00 . A A . 1 MET HB3 1 1 11 3010 1 1 1 MET HE1 H 6.102 3.410 -4.158 1.00 . A A . 1 MET HE1 1 1 11 3011 1 1 1 MET HE2 H 5.255 1.886 -4.429 1.00 . A A . 1 MET HE2 1 1 11 3012 1 1 1 MET HE3 H 4.432 3.418 -4.726 1.00 . A A . 1 MET HE3 1 1 11 3013 1 1 1 MET HG2 H 3.628 0.790 -2.851 1.00 . A A . 1 MET HG2 1 1 11 3014 1 1 1 MET HG3 H 2.479 2.088 -3.167 1.00 . A A . 1 MET HG3 1 1 11 3015 1 1 1 MET N N 1.187 -0.003 0.239 1.00 . A A . 1 MET N 1 1 11 3016 1 1 1 MET O O 4.238 -0.660 -1.174 1.00 . A A . 1 MET O 1 1 11 3017 1 1 1 MET SD S 4.571 2.928 -2.401 1.00 . A A . 1 MET SD 1 1 11 3018 1 1 2 THR C C 3.311 -4.303 -2.050 1.00 . A A . 2 THR C 1 1 11 3019 1 1 2 THR CA C 3.603 -3.343 -0.902 1.00 . A A . 2 THR CA 1 1 11 3020 1 1 2 THR CB C 3.572 -4.124 0.425 1.00 . A A . 2 THR CB 1 1 11 3021 1 1 2 THR CG2 C 2.257 -4.871 0.583 1.00 . A A . 2 THR CG2 1 1 11 3022 1 1 2 THR H H 1.701 -2.423 -0.776 1.00 . A A . 2 THR H 1 1 11 3023 1 1 2 THR HA H 4.594 -2.933 -1.032 1.00 . A A . 2 THR HA 1 1 11 3024 1 1 2 THR HB H 3.671 -3.422 1.240 1.00 . A A . 2 THR HB 1 1 11 3025 1 1 2 THR HG1 H 5.367 -4.690 1.017 1.00 . A A . 2 THR HG1 1 1 11 3026 1 1 2 THR HG21 H 2.145 -5.577 -0.226 1.00 . A A . 2 THR HG21 1 1 11 3027 1 1 2 THR HG22 H 1.438 -4.168 0.561 1.00 . A A . 2 THR HG22 1 1 11 3028 1 1 2 THR HG23 H 2.254 -5.399 1.525 1.00 . A A . 2 THR HG23 1 1 11 3029 1 1 2 THR N N 2.656 -2.235 -0.889 1.00 . A A . 2 THR N 1 1 11 3030 1 1 2 THR O O 4.218 -4.937 -2.587 1.00 . A A . 2 THR O 1 1 11 3031 1 1 2 THR OG1 O 4.662 -5.051 0.473 1.00 . A A . 2 THR OG1 1 1 11 3032 1 1 3 GLU C C 0.366 -4.763 -4.187 1.00 . A A . 3 GLU C 1 1 11 3033 1 1 3 GLU CA C 1.628 -5.286 -3.507 1.00 . A A . 3 GLU CA 1 1 11 3034 1 1 3 GLU CB C 1.386 -6.702 -2.979 1.00 . A A . 3 GLU CB 1 1 11 3035 1 1 3 GLU CD C 0.693 -9.063 -3.551 1.00 . A A . 3 GLU CD 1 1 11 3036 1 1 3 GLU CG C 0.661 -7.604 -3.963 1.00 . A A . 3 GLU CG 1 1 11 3037 1 1 3 GLU H H 1.360 -3.871 -1.956 1.00 . A A . 3 GLU H 1 1 11 3038 1 1 3 GLU HA H 2.427 -5.315 -4.232 1.00 . A A . 3 GLU HA 1 1 11 3039 1 1 3 GLU HB2 H 2.338 -7.153 -2.743 1.00 . A A . 3 GLU HB2 1 1 11 3040 1 1 3 GLU HB3 H 0.794 -6.640 -2.077 1.00 . A A . 3 GLU HB3 1 1 11 3041 1 1 3 GLU HG2 H -0.370 -7.288 -4.030 1.00 . A A . 3 GLU HG2 1 1 11 3042 1 1 3 GLU HG3 H 1.129 -7.508 -4.932 1.00 . A A . 3 GLU HG3 1 1 11 3043 1 1 3 GLU N N 2.038 -4.403 -2.422 1.00 . A A . 3 GLU N 1 1 11 3044 1 1 3 GLU O O 0.392 -4.376 -5.356 1.00 . A A . 3 GLU O 1 1 11 3045 1 1 3 GLU OE1 O 0.201 -9.380 -2.449 1.00 . A A . 3 GLU OE1 1 1 11 3046 1 1 3 GLU OE2 O 1.212 -9.887 -4.333 1.00 . A A . 3 GLU OE2 1 1 11 3047 1 1 4 TYR C C -2.414 -2.960 -3.331 1.00 . A A . 4 TYR C 1 1 11 3048 1 1 4 TYR CA C -2.010 -4.282 -3.978 1.00 . A A . 4 TYR CA 1 1 11 3049 1 1 4 TYR CB C -3.102 -5.328 -3.750 1.00 . A A . 4 TYR CB 1 1 11 3050 1 1 4 TYR CD1 C -3.257 -5.309 -1.229 1.00 . A A . 4 TYR CD1 1 1 11 3051 1 1 4 TYR CD2 C -2.690 -7.359 -2.306 1.00 . A A . 4 TYR CD2 1 1 11 3052 1 1 4 TYR CE1 C -3.177 -5.929 0.003 1.00 . A A . 4 TYR CE1 1 1 11 3053 1 1 4 TYR CE2 C -2.609 -7.987 -1.078 1.00 . A A . 4 TYR CE2 1 1 11 3054 1 1 4 TYR CG C -3.014 -6.011 -2.403 1.00 . A A . 4 TYR CG 1 1 11 3055 1 1 4 TYR CZ C -2.853 -7.268 0.073 1.00 . A A . 4 TYR CZ 1 1 11 3056 1 1 4 TYR H H -0.695 -5.075 -2.522 1.00 . A A . 4 TYR H 1 1 11 3057 1 1 4 TYR HA H -1.890 -4.127 -5.040 1.00 . A A . 4 TYR HA 1 1 11 3058 1 1 4 TYR HB2 H -4.068 -4.851 -3.816 1.00 . A A . 4 TYR HB2 1 1 11 3059 1 1 4 TYR HB3 H -3.028 -6.089 -4.513 1.00 . A A . 4 TYR HB3 1 1 11 3060 1 1 4 TYR HD1 H -3.511 -4.261 -1.288 1.00 . A A . 4 TYR HD1 1 1 11 3061 1 1 4 TYR HD2 H -2.499 -7.919 -3.210 1.00 . A A . 4 TYR HD2 1 1 11 3062 1 1 4 TYR HE1 H -3.369 -5.367 0.905 1.00 . A A . 4 TYR HE1 1 1 11 3063 1 1 4 TYR HE2 H -2.355 -9.035 -1.023 1.00 . A A . 4 TYR HE2 1 1 11 3064 1 1 4 TYR HH H -2.582 -7.237 1.976 1.00 . A A . 4 TYR HH 1 1 11 3065 1 1 4 TYR N N -0.737 -4.754 -3.447 1.00 . A A . 4 TYR N 1 1 11 3066 1 1 4 TYR O O -3.204 -2.198 -3.888 1.00 . A A . 4 TYR O 1 1 11 3067 1 1 4 TYR OH O -2.774 -7.889 1.298 1.00 . A A . 4 TYR OH 1 1 11 3068 1 1 5 LYS C C -1.726 -0.242 -2.226 1.00 . A A . 5 LYS C 1 1 11 3069 1 1 5 LYS CA C -2.163 -1.465 -1.426 1.00 . A A . 5 LYS CA 1 1 11 3070 1 1 5 LYS CB C -1.468 -1.471 -0.063 1.00 . A A . 5 LYS CB 1 1 11 3071 1 1 5 LYS CD C -1.137 -2.989 1.911 1.00 . A A . 5 LYS CD 1 1 11 3072 1 1 5 LYS CE C -0.641 -1.984 2.939 1.00 . A A . 5 LYS CE 1 1 11 3073 1 1 5 LYS CG C -2.146 -2.363 0.962 1.00 . A A . 5 LYS CG 1 1 11 3074 1 1 5 LYS H H -1.241 -3.342 -1.758 1.00 . A A . 5 LYS H 1 1 11 3075 1 1 5 LYS HA H -3.231 -1.420 -1.276 1.00 . A A . 5 LYS HA 1 1 11 3076 1 1 5 LYS HB2 H -0.452 -1.814 -0.192 1.00 . A A . 5 LYS HB2 1 1 11 3077 1 1 5 LYS HB3 H -1.452 -0.462 0.324 1.00 . A A . 5 LYS HB3 1 1 11 3078 1 1 5 LYS HD2 H -1.605 -3.814 2.428 1.00 . A A . 5 LYS HD2 1 1 11 3079 1 1 5 LYS HD3 H -0.295 -3.352 1.339 1.00 . A A . 5 LYS HD3 1 1 11 3080 1 1 5 LYS HE2 H 0.285 -2.345 3.358 1.00 . A A . 5 LYS HE2 1 1 11 3081 1 1 5 LYS HE3 H -0.469 -1.039 2.445 1.00 . A A . 5 LYS HE3 1 1 11 3082 1 1 5 LYS HG2 H -2.844 -1.772 1.536 1.00 . A A . 5 LYS HG2 1 1 11 3083 1 1 5 LYS HG3 H -2.677 -3.150 0.446 1.00 . A A . 5 LYS HG3 1 1 11 3084 1 1 5 LYS HZ1 H -1.141 -1.801 4.959 1.00 . A A . 5 LYS HZ1 1 1 11 3085 1 1 5 LYS HZ2 H -2.340 -2.539 4.020 1.00 . A A . 5 LYS HZ2 1 1 11 3086 1 1 5 LYS HZ3 H -2.103 -0.867 3.928 1.00 . A A . 5 LYS HZ3 1 1 11 3087 1 1 5 LYS N N -1.864 -2.695 -2.151 1.00 . A A . 5 LYS N 1 1 11 3088 1 1 5 LYS NZ N -1.625 -1.783 4.039 1.00 . A A . 5 LYS NZ 1 1 11 3089 1 1 5 LYS O O -2.165 0.877 -1.958 1.00 . A A . 5 LYS O 1 1 11 3090 1 1 6 LEU C C -1.333 0.907 -5.196 1.00 . A A . 6 LEU C 1 1 11 3091 1 1 6 LEU CA C -0.367 0.622 -4.051 1.00 . A A . 6 LEU CA 1 1 11 3092 1 1 6 LEU CB C 1.014 0.271 -4.610 1.00 . A A . 6 LEU CB 1 1 11 3093 1 1 6 LEU CD1 C 1.084 -0.523 -6.986 1.00 . A A . 6 LEU CD1 1 1 11 3094 1 1 6 LEU CD2 C 2.303 -1.793 -5.210 1.00 . A A . 6 LEU CD2 1 1 11 3095 1 1 6 LEU CG C 1.076 -0.951 -5.527 1.00 . A A . 6 LEU CG 1 1 11 3096 1 1 6 LEU H H -0.548 -1.376 -3.376 1.00 . A A . 6 LEU H 1 1 11 3097 1 1 6 LEU HA H -0.284 1.506 -3.437 1.00 . A A . 6 LEU HA 1 1 11 3098 1 1 6 LEU HB2 H 1.370 1.122 -5.169 1.00 . A A . 6 LEU HB2 1 1 11 3099 1 1 6 LEU HB3 H 1.673 0.092 -3.772 1.00 . A A . 6 LEU HB3 1 1 11 3100 1 1 6 LEU HD11 H 0.209 0.076 -7.190 1.00 . A A . 6 LEU HD11 1 1 11 3101 1 1 6 LEU HD12 H 1.075 -1.399 -7.618 1.00 . A A . 6 LEU HD12 1 1 11 3102 1 1 6 LEU HD13 H 1.973 0.056 -7.187 1.00 . A A . 6 LEU HD13 1 1 11 3103 1 1 6 LEU HD21 H 2.061 -2.504 -4.433 1.00 . A A . 6 LEU HD21 1 1 11 3104 1 1 6 LEU HD22 H 3.104 -1.151 -4.874 1.00 . A A . 6 LEU HD22 1 1 11 3105 1 1 6 LEU HD23 H 2.616 -2.323 -6.098 1.00 . A A . 6 LEU HD23 1 1 11 3106 1 1 6 LEU HG H 0.199 -1.561 -5.363 1.00 . A A . 6 LEU HG 1 1 11 3107 1 1 6 LEU N N -0.861 -0.463 -3.210 1.00 . A A . 6 LEU N 1 1 11 3108 1 1 6 LEU O O -1.204 1.912 -5.896 1.00 . A A . 6 LEU O 1 1 11 3109 1 1 7 VAL C C -4.694 0.357 -5.857 1.00 . A A . 7 VAL C 1 1 11 3110 1 1 7 VAL CA C -3.296 0.177 -6.437 1.00 . A A . 7 VAL CA 1 1 11 3111 1 1 7 VAL CB C -3.299 -1.034 -7.389 1.00 . A A . 7 VAL CB 1 1 11 3112 1 1 7 VAL CG1 C -4.198 -0.769 -8.587 1.00 . A A . 7 VAL CG1 1 1 11 3113 1 1 7 VAL CG2 C -1.883 -1.364 -7.837 1.00 . A A . 7 VAL CG2 1 1 11 3114 1 1 7 VAL H H -2.356 -0.762 -4.790 1.00 . A A . 7 VAL H 1 1 11 3115 1 1 7 VAL HA H -3.037 1.056 -7.009 1.00 . A A . 7 VAL HA 1 1 11 3116 1 1 7 VAL HB H -3.692 -1.886 -6.854 1.00 . A A . 7 VAL HB 1 1 11 3117 1 1 7 VAL HG11 H -4.277 0.296 -8.748 1.00 . A A . 7 VAL HG11 1 1 11 3118 1 1 7 VAL HG12 H -3.776 -1.237 -9.465 1.00 . A A . 7 VAL HG12 1 1 11 3119 1 1 7 VAL HG13 H -5.179 -1.178 -8.398 1.00 . A A . 7 VAL HG13 1 1 11 3120 1 1 7 VAL HG21 H -1.456 -0.509 -8.339 1.00 . A A . 7 VAL HG21 1 1 11 3121 1 1 7 VAL HG22 H -1.283 -1.613 -6.974 1.00 . A A . 7 VAL HG22 1 1 11 3122 1 1 7 VAL HG23 H -1.906 -2.205 -8.515 1.00 . A A . 7 VAL HG23 1 1 11 3123 1 1 7 VAL N N -2.304 0.018 -5.380 1.00 . A A . 7 VAL N 1 1 11 3124 1 1 7 VAL O O -5.374 1.343 -6.143 1.00 . A A . 7 VAL O 1 1 11 3125 1 1 8 VAL C C -6.518 0.586 -3.402 1.00 . A A . 8 VAL C 1 1 11 3126 1 1 8 VAL CA C -6.435 -0.548 -4.417 1.00 . A A . 8 VAL CA 1 1 11 3127 1 1 8 VAL CB C -6.780 -1.876 -3.717 1.00 . A A . 8 VAL CB 1 1 11 3128 1 1 8 VAL CG1 C -8.142 -1.789 -3.047 1.00 . A A . 8 VAL CG1 1 1 11 3129 1 1 8 VAL CG2 C -6.737 -3.028 -4.710 1.00 . A A . 8 VAL CG2 1 1 11 3130 1 1 8 VAL H H -4.531 -1.362 -4.851 1.00 . A A . 8 VAL H 1 1 11 3131 1 1 8 VAL HA H -7.165 -0.375 -5.195 1.00 . A A . 8 VAL HA 1 1 11 3132 1 1 8 VAL HB H -6.038 -2.059 -2.953 1.00 . A A . 8 VAL HB 1 1 11 3133 1 1 8 VAL HG11 H -8.025 -1.896 -1.978 1.00 . A A . 8 VAL HG11 1 1 11 3134 1 1 8 VAL HG12 H -8.591 -0.831 -3.267 1.00 . A A . 8 VAL HG12 1 1 11 3135 1 1 8 VAL HG13 H -8.777 -2.579 -3.419 1.00 . A A . 8 VAL HG13 1 1 11 3136 1 1 8 VAL HG21 H -7.653 -3.044 -5.282 1.00 . A A . 8 VAL HG21 1 1 11 3137 1 1 8 VAL HG22 H -5.898 -2.897 -5.376 1.00 . A A . 8 VAL HG22 1 1 11 3138 1 1 8 VAL HG23 H -6.631 -3.961 -4.175 1.00 . A A . 8 VAL HG23 1 1 11 3139 1 1 8 VAL N N -5.118 -0.601 -5.040 1.00 . A A . 8 VAL N 1 1 11 3140 1 1 8 VAL O O -7.333 1.498 -3.538 1.00 . A A . 8 VAL O 1 1 11 3141 1 1 9 VAL C C -5.014 2.836 -1.857 1.00 . A A . 9 VAL C 1 1 11 3142 1 1 9 VAL CA C -5.641 1.545 -1.343 1.00 . A A . 9 VAL CA 1 1 11 3143 1 1 9 VAL CB C -4.862 1.067 -0.104 1.00 . A A . 9 VAL CB 1 1 11 3144 1 1 9 VAL CG1 C -5.005 2.065 1.035 1.00 . A A . 9 VAL CG1 1 1 11 3145 1 1 9 VAL CG2 C -5.338 -0.314 0.324 1.00 . A A . 9 VAL CG2 1 1 11 3146 1 1 9 VAL H H -5.041 -0.229 -2.328 1.00 . A A . 9 VAL H 1 1 11 3147 1 1 9 VAL HA H -6.661 1.745 -1.046 1.00 . A A . 9 VAL HA 1 1 11 3148 1 1 9 VAL HB H -3.816 0.999 -0.365 1.00 . A A . 9 VAL HB 1 1 11 3149 1 1 9 VAL HG11 H -4.361 2.913 0.852 1.00 . A A . 9 VAL HG11 1 1 11 3150 1 1 9 VAL HG12 H -6.031 2.396 1.098 1.00 . A A . 9 VAL HG12 1 1 11 3151 1 1 9 VAL HG13 H -4.721 1.593 1.964 1.00 . A A . 9 VAL HG13 1 1 11 3152 1 1 9 VAL HG21 H -6.190 -0.602 -0.273 1.00 . A A . 9 VAL HG21 1 1 11 3153 1 1 9 VAL HG22 H -4.541 -1.028 0.182 1.00 . A A . 9 VAL HG22 1 1 11 3154 1 1 9 VAL HG23 H -5.620 -0.291 1.367 1.00 . A A . 9 VAL HG23 1 1 11 3155 1 1 9 VAL N N -5.667 0.523 -2.382 1.00 . A A . 9 VAL N 1 1 11 3156 1 1 9 VAL O O -5.390 3.931 -1.441 1.00 . A A . 9 VAL O 1 1 11 3157 1 1 10 GLY C C -4.362 4.848 -3.939 1.00 . A A . 10 GLY C 1 1 11 3158 1 1 10 GLY CA C -3.389 3.863 -3.324 1.00 . A A . 10 GLY CA 1 1 11 3159 1 1 10 GLY H H -3.794 1.801 -3.062 1.00 . A A . 10 GLY H 1 1 11 3160 1 1 10 GLY HA2 H -2.838 4.359 -2.539 1.00 . A A . 10 GLY HA2 1 1 11 3161 1 1 10 GLY HA3 H -2.695 3.537 -4.085 1.00 . A A . 10 GLY HA3 1 1 11 3162 1 1 10 GLY N N -4.053 2.699 -2.767 1.00 . A A . 10 GLY N 1 1 11 3163 1 1 10 GLY O O -4.064 6.036 -4.055 1.00 . A A . 10 GLY O 1 1 11 3164 1 1 11 ALA C C -7.412 5.870 -3.877 1.00 . A A . 11 ALA C 1 1 11 3165 1 1 11 ALA CA C -6.551 5.199 -4.942 1.00 . A A . 11 ALA CA 1 1 11 3166 1 1 11 ALA CB C -7.420 4.382 -5.888 1.00 . A A . 11 ALA CB 1 1 11 3167 1 1 11 ALA H H -5.710 3.398 -4.217 1.00 . A A . 11 ALA H 1 1 11 3168 1 1 11 ALA HA H -6.052 5.963 -5.521 1.00 . A A . 11 ALA HA 1 1 11 3169 1 1 11 ALA HB1 H -7.676 3.443 -5.419 1.00 . A A . 11 ALA HB1 1 1 11 3170 1 1 11 ALA HB2 H -8.322 4.931 -6.112 1.00 . A A . 11 ALA HB2 1 1 11 3171 1 1 11 ALA HB3 H -6.877 4.192 -6.801 1.00 . A A . 11 ALA HB3 1 1 11 3172 1 1 11 ALA N N -5.530 4.354 -4.336 1.00 . A A . 11 ALA N 1 1 11 3173 1 1 11 ALA O O -7.773 7.039 -4.003 1.00 . A A . 11 ALA O 1 1 11 3174 1 1 12 GLY C C -9.203 4.577 -0.919 1.00 . A A . 12 GLY C 1 1 11 3175 1 1 12 GLY CA C -8.554 5.662 -1.756 1.00 . A A . 12 GLY CA 1 1 11 3176 1 1 12 GLY H H -7.421 4.195 -2.781 1.00 . A A . 12 GLY H 1 1 11 3177 1 1 12 GLY HA2 H -7.933 6.272 -1.118 1.00 . A A . 12 GLY HA2 1 1 11 3178 1 1 12 GLY HA3 H -9.329 6.280 -2.186 1.00 . A A . 12 GLY HA3 1 1 11 3179 1 1 12 GLY N N -7.738 5.122 -2.828 1.00 . A A . 12 GLY N 1 1 11 3180 1 1 12 GLY O O -9.541 4.799 0.243 1.00 . A A . 12 GLY O 1 1 11 3181 1 1 13 GLY C C -11.129 1.663 -1.574 1.00 . A A . 13 GLY C 1 1 11 3182 1 1 13 GLY CA C -9.992 2.295 -0.797 1.00 . A A . 13 GLY CA 1 1 11 3183 1 1 13 GLY H H -9.089 3.280 -2.439 1.00 . A A . 13 GLY H 1 1 11 3184 1 1 13 GLY HA2 H -9.241 1.544 -0.604 1.00 . A A . 13 GLY HA2 1 1 11 3185 1 1 13 GLY HA3 H -10.374 2.658 0.146 1.00 . A A . 13 GLY HA3 1 1 11 3186 1 1 13 GLY N N -9.378 3.400 -1.511 1.00 . A A . 13 GLY N 1 1 11 3187 1 1 13 GLY O O -12.268 2.128 -1.511 1.00 . A A . 13 GLY O 1 1 11 3188 1 1 14 VAL C C -12.490 -1.208 -2.301 1.00 . A A . 14 VAL C 1 1 11 3189 1 1 14 VAL CA C -11.827 -0.095 -3.106 1.00 . A A . 14 VAL CA 1 1 11 3190 1 1 14 VAL CB C -11.215 -0.697 -4.385 1.00 . A A . 14 VAL CB 1 1 11 3191 1 1 14 VAL CG1 C -12.298 -1.312 -5.258 1.00 . A A . 14 VAL CG1 1 1 11 3192 1 1 14 VAL CG2 C -10.438 0.362 -5.152 1.00 . A A . 14 VAL CG2 1 1 11 3193 1 1 14 VAL H H -9.897 0.277 -2.322 1.00 . A A . 14 VAL H 1 1 11 3194 1 1 14 VAL HA H -12.580 0.623 -3.396 1.00 . A A . 14 VAL HA 1 1 11 3195 1 1 14 VAL HB H -10.528 -1.479 -4.097 1.00 . A A . 14 VAL HB 1 1 11 3196 1 1 14 VAL HG11 H -12.501 -2.319 -4.923 1.00 . A A . 14 VAL HG11 1 1 11 3197 1 1 14 VAL HG12 H -13.198 -0.719 -5.187 1.00 . A A . 14 VAL HG12 1 1 11 3198 1 1 14 VAL HG13 H -11.963 -1.336 -6.284 1.00 . A A . 14 VAL HG13 1 1 11 3199 1 1 14 VAL HG21 H -9.918 -0.100 -5.978 1.00 . A A . 14 VAL HG21 1 1 11 3200 1 1 14 VAL HG22 H -11.122 1.108 -5.528 1.00 . A A . 14 VAL HG22 1 1 11 3201 1 1 14 VAL HG23 H -9.721 0.831 -4.493 1.00 . A A . 14 VAL HG23 1 1 11 3202 1 1 14 VAL N N -10.822 0.601 -2.312 1.00 . A A . 14 VAL N 1 1 11 3203 1 1 14 VAL O O -13.663 -1.520 -2.501 1.00 . A A . 14 VAL O 1 1 11 3204 1 1 15 GLY C C -11.587 -4.206 -0.842 1.00 . A A . 15 GLY C 1 1 11 3205 1 1 15 GLY CA C -12.259 -2.875 -0.565 1.00 . A A . 15 GLY CA 1 1 11 3206 1 1 15 GLY H H -10.800 -1.513 -1.272 1.00 . A A . 15 GLY H 1 1 11 3207 1 1 15 GLY HA2 H -12.115 -2.621 0.475 1.00 . A A . 15 GLY HA2 1 1 11 3208 1 1 15 GLY HA3 H -13.317 -2.973 -0.759 1.00 . A A . 15 GLY HA3 1 1 11 3209 1 1 15 GLY N N -11.729 -1.804 -1.388 1.00 . A A . 15 GLY N 1 1 11 3210 1 1 15 GLY O O -12.130 -5.263 -0.523 1.00 . A A . 15 GLY O 1 1 11 3211 1 1 16 LYS C C -8.635 -5.680 -0.670 1.00 . A A . 16 LYS C 1 1 11 3212 1 1 16 LYS CA C -9.653 -5.364 -1.761 1.00 . A A . 16 LYS CA 1 1 11 3213 1 1 16 LYS CB C -8.942 -5.206 -3.107 1.00 . A A . 16 LYS CB 1 1 11 3214 1 1 16 LYS CD C -10.644 -6.013 -4.768 1.00 . A A . 16 LYS CD 1 1 11 3215 1 1 16 LYS CE C -12.055 -6.057 -4.201 1.00 . A A . 16 LYS CE 1 1 11 3216 1 1 16 LYS CG C -9.870 -4.815 -4.243 1.00 . A A . 16 LYS CG 1 1 11 3217 1 1 16 LYS H H -10.019 -3.281 -1.670 1.00 . A A . 16 LYS H 1 1 11 3218 1 1 16 LYS HA H -10.356 -6.181 -1.828 1.00 . A A . 16 LYS HA 1 1 11 3219 1 1 16 LYS HB2 H -8.182 -4.444 -3.012 1.00 . A A . 16 LYS HB2 1 1 11 3220 1 1 16 LYS HB3 H -8.469 -6.144 -3.362 1.00 . A A . 16 LYS HB3 1 1 11 3221 1 1 16 LYS HD2 H -10.703 -5.949 -5.844 1.00 . A A . 16 LYS HD2 1 1 11 3222 1 1 16 LYS HD3 H -10.124 -6.918 -4.487 1.00 . A A . 16 LYS HD3 1 1 11 3223 1 1 16 LYS HE2 H -12.387 -7.083 -4.175 1.00 . A A . 16 LYS HE2 1 1 11 3224 1 1 16 LYS HE3 H -12.037 -5.659 -3.197 1.00 . A A . 16 LYS HE3 1 1 11 3225 1 1 16 LYS HG2 H -10.571 -4.076 -3.886 1.00 . A A . 16 LYS HG2 1 1 11 3226 1 1 16 LYS HG3 H -9.283 -4.397 -5.048 1.00 . A A . 16 LYS HG3 1 1 11 3227 1 1 16 LYS HZ1 H -12.511 -4.470 -5.480 1.00 . A A . 16 LYS HZ1 1 1 11 3228 1 1 16 LYS HZ2 H -13.764 -4.876 -4.419 1.00 . A A . 16 LYS HZ2 1 1 11 3229 1 1 16 LYS HZ3 H -13.436 -5.859 -5.756 1.00 . A A . 16 LYS HZ3 1 1 11 3230 1 1 16 LYS N N -10.401 -4.155 -1.440 1.00 . A A . 16 LYS N 1 1 11 3231 1 1 16 LYS NZ N -13.008 -5.260 -5.022 1.00 . A A . 16 LYS NZ 1 1 11 3232 1 1 16 LYS O O -8.720 -6.715 -0.009 1.00 . A A . 16 LYS O 1 1 11 3233 1 1 17 SER C C -7.255 -5.271 1.886 1.00 . A A . 17 SER C 1 1 11 3234 1 1 17 SER CA C -6.638 -4.966 0.524 1.00 . A A . 17 SER CA 1 1 11 3235 1 1 17 SER CB C -5.760 -3.716 0.619 1.00 . A A . 17 SER CB 1 1 11 3236 1 1 17 SER H H -7.659 -3.975 -1.044 1.00 . A A . 17 SER H 1 1 11 3237 1 1 17 SER HA H -6.026 -5.803 0.223 1.00 . A A . 17 SER HA 1 1 11 3238 1 1 17 SER HB2 H -5.109 -3.671 -0.241 1.00 . A A . 17 SER HB2 1 1 11 3239 1 1 17 SER HB3 H -6.389 -2.838 0.641 1.00 . A A . 17 SER HB3 1 1 11 3240 1 1 17 SER HG H -4.833 -4.648 2.072 1.00 . A A . 17 SER HG 1 1 11 3241 1 1 17 SER N N -7.674 -4.781 -0.485 1.00 . A A . 17 SER N 1 1 11 3242 1 1 17 SER O O -6.661 -5.973 2.706 1.00 . A A . 17 SER O 1 1 11 3243 1 1 17 SER OG O -4.965 -3.739 1.792 1.00 . A A . 17 SER OG 1 1 11 3244 1 1 18 HIS C C -9.273 -6.446 3.686 1.00 . A A . 18 HIS C 1 1 11 3245 1 1 18 HIS CA C -9.150 -4.956 3.381 1.00 . A A . 18 HIS CA 1 1 11 3246 1 1 18 HIS CB C -10.538 -4.317 3.335 1.00 . A A . 18 HIS CB 1 1 11 3247 1 1 18 HIS CD2 C -10.864 -1.957 4.361 1.00 . A A . 18 HIS CD2 1 1 11 3248 1 1 18 HIS CE1 C -10.168 -0.767 2.656 1.00 . A A . 18 HIS CE1 1 1 11 3249 1 1 18 HIS CG C -10.510 -2.820 3.380 1.00 . A A . 18 HIS CG 1 1 11 3250 1 1 18 HIS H H -8.873 -4.190 1.427 1.00 . A A . 18 HIS H 1 1 11 3251 1 1 18 HIS HA H -8.573 -4.488 4.164 1.00 . A A . 18 HIS HA 1 1 11 3252 1 1 18 HIS HB2 H -11.033 -4.611 2.421 1.00 . A A . 18 HIS HB2 1 1 11 3253 1 1 18 HIS HB3 H -11.116 -4.664 4.180 1.00 . A A . 18 HIS HB3 1 1 11 3254 1 1 18 HIS HD1 H -9.755 -2.377 1.464 1.00 . A A . 18 HIS HD1 1 1 11 3255 1 1 18 HIS HD2 H -11.250 -2.218 5.337 1.00 . A A . 18 HIS HD2 1 1 11 3256 1 1 18 HIS HE1 H -9.899 0.069 2.028 1.00 . A A . 18 HIS HE1 1 1 11 3257 1 1 18 HIS N N -8.451 -4.740 2.119 1.00 . A A . 18 HIS N 1 1 11 3258 1 1 18 HIS ND1 N -10.079 -2.043 2.326 1.00 . A A . 18 HIS ND1 1 1 11 3259 1 1 18 HIS NE2 N -10.642 -0.688 3.886 1.00 . A A . 18 HIS NE2 1 1 11 3260 1 1 18 HIS O O -9.345 -6.849 4.847 1.00 . A A . 18 HIS O 1 1 11 3261 1 1 19 VAL C C -8.072 -9.325 3.171 1.00 . A A . 19 VAL C 1 1 11 3262 1 1 19 VAL CA C -9.412 -8.705 2.790 1.00 . A A . 19 VAL CA 1 1 11 3263 1 1 19 VAL CB C -9.924 -9.370 1.499 1.00 . A A . 19 VAL CB 1 1 11 3264 1 1 19 VAL CG1 C -10.052 -10.874 1.686 1.00 . A A . 19 VAL CG1 1 1 11 3265 1 1 19 VAL CG2 C -11.253 -8.762 1.078 1.00 . A A . 19 VAL CG2 1 1 11 3266 1 1 19 VAL H H -9.237 -6.880 1.734 1.00 . A A . 19 VAL H 1 1 11 3267 1 1 19 VAL HA H -10.125 -8.901 3.578 1.00 . A A . 19 VAL HA 1 1 11 3268 1 1 19 VAL HB H -9.204 -9.187 0.714 1.00 . A A . 19 VAL HB 1 1 11 3269 1 1 19 VAL HG11 H -9.816 -11.130 2.709 1.00 . A A . 19 VAL HG11 1 1 11 3270 1 1 19 VAL HG12 H -11.062 -11.181 1.460 1.00 . A A . 19 VAL HG12 1 1 11 3271 1 1 19 VAL HG13 H -9.365 -11.379 1.022 1.00 . A A . 19 VAL HG13 1 1 11 3272 1 1 19 VAL HG21 H -11.512 -9.110 0.089 1.00 . A A . 19 VAL HG21 1 1 11 3273 1 1 19 VAL HG22 H -12.021 -9.059 1.776 1.00 . A A . 19 VAL HG22 1 1 11 3274 1 1 19 VAL HG23 H -11.171 -7.685 1.070 1.00 . A A . 19 VAL HG23 1 1 11 3275 1 1 19 VAL N N -9.298 -7.260 2.635 1.00 . A A . 19 VAL N 1 1 11 3276 1 1 19 VAL O O -7.972 -10.051 4.160 1.00 . A A . 19 VAL O 1 1 11 3277 1 1 20 TRP C C -4.869 -8.559 3.420 1.00 . A A . 20 TRP C 1 1 11 3278 1 1 20 TRP CA C -5.710 -9.560 2.636 1.00 . A A . 20 TRP CA 1 1 11 3279 1 1 20 TRP CB C -5.016 -9.906 1.317 1.00 . A A . 20 TRP CB 1 1 11 3280 1 1 20 TRP CD1 C -6.697 -10.205 -0.594 1.00 . A A . 20 TRP CD1 1 1 11 3281 1 1 20 TRP CD2 C -6.011 -12.123 0.337 1.00 . A A . 20 TRP CD2 1 1 11 3282 1 1 20 TRP CE2 C -6.924 -12.425 -0.692 1.00 . A A . 20 TRP CE2 1 1 11 3283 1 1 20 TRP CE3 C -5.444 -13.174 1.064 1.00 . A A . 20 TRP CE3 1 1 11 3284 1 1 20 TRP CG C -5.879 -10.698 0.382 1.00 . A A . 20 TRP CG 1 1 11 3285 1 1 20 TRP CH2 C -6.713 -14.741 -0.281 1.00 . A A . 20 TRP CH2 1 1 11 3286 1 1 20 TRP CZ2 C -7.283 -13.732 -1.009 1.00 . A A . 20 TRP CZ2 1 1 11 3287 1 1 20 TRP CZ3 C -5.802 -14.471 0.748 1.00 . A A . 20 TRP CZ3 1 1 11 3288 1 1 20 TRP H H -7.189 -8.447 1.608 1.00 . A A . 20 TRP H 1 1 11 3289 1 1 20 TRP HA H -5.817 -10.460 3.223 1.00 . A A . 20 TRP HA 1 1 11 3290 1 1 20 TRP HB2 H -4.733 -8.993 0.816 1.00 . A A . 20 TRP HB2 1 1 11 3291 1 1 20 TRP HB3 H -4.130 -10.488 1.528 1.00 . A A . 20 TRP HB3 1 1 11 3292 1 1 20 TRP HD1 H -6.820 -9.156 -0.811 1.00 . A A . 20 TRP HD1 1 1 11 3293 1 1 20 TRP HE1 H -7.965 -11.140 -1.984 1.00 . A A . 20 TRP HE1 1 1 11 3294 1 1 20 TRP HE3 H -4.740 -12.986 1.860 1.00 . A A . 20 TRP HE3 1 1 11 3295 1 1 20 TRP HH2 H -6.963 -15.769 -0.493 1.00 . A A . 20 TRP HH2 1 1 11 3296 1 1 20 TRP HZ2 H -7.984 -13.957 -1.800 1.00 . A A . 20 TRP HZ2 1 1 11 3297 1 1 20 TRP HZ3 H -5.374 -15.296 1.300 1.00 . A A . 20 TRP HZ3 1 1 11 3298 1 1 20 TRP N N -7.046 -9.032 2.381 1.00 . A A . 20 TRP N 1 1 11 3299 1 1 20 TRP NE1 N -7.329 -11.238 -1.244 1.00 . A A . 20 TRP NE1 1 1 11 3300 1 1 20 TRP O O -3.990 -8.941 4.192 1.00 . A A . 20 TRP O 1 1 12 3301 1 1 1 MET C C 2.976 -0.946 -1.175 1.00 . A A . 1 MET C 1 1 12 3302 1 1 1 MET CA C 1.880 0.114 -1.102 1.00 . A A . 1 MET CA 1 1 12 3303 1 1 1 MET CB C 2.488 1.506 -1.284 1.00 . A A . 1 MET CB 1 1 12 3304 1 1 1 MET CE C 5.633 2.066 -3.615 1.00 . A A . 1 MET CE 1 1 12 3305 1 1 1 MET CG C 3.044 1.748 -2.677 1.00 . A A . 1 MET CG 1 1 12 3306 1 1 1 MET H1 H 1.655 0.196 1.001 1.00 . A A . 1 MET H1 1 1 12 3307 1 1 1 MET HA H 1.169 -0.065 -1.894 1.00 . A A . 1 MET HA 1 1 12 3308 1 1 1 MET HB2 H 1.726 2.246 -1.090 1.00 . A A . 1 MET HB2 1 1 12 3309 1 1 1 MET HB3 H 3.291 1.632 -0.573 1.00 . A A . 1 MET HB3 1 1 12 3310 1 1 1 MET HE1 H 5.223 1.129 -3.964 1.00 . A A . 1 MET HE1 1 1 12 3311 1 1 1 MET HE2 H 5.946 2.659 -4.461 1.00 . A A . 1 MET HE2 1 1 12 3312 1 1 1 MET HE3 H 6.482 1.872 -2.977 1.00 . A A . 1 MET HE3 1 1 12 3313 1 1 1 MET HG2 H 3.418 0.814 -3.070 1.00 . A A . 1 MET HG2 1 1 12 3314 1 1 1 MET HG3 H 2.247 2.109 -3.310 1.00 . A A . 1 MET HG3 1 1 12 3315 1 1 1 MET N N 1.166 0.035 0.167 1.00 . A A . 1 MET N 1 1 12 3316 1 1 1 MET O O 4.139 -0.634 -1.436 1.00 . A A . 1 MET O 1 1 12 3317 1 1 1 MET SD S 4.384 2.956 -2.690 1.00 . A A . 1 MET SD 1 1 12 3318 1 1 2 THR C C 3.189 -4.299 -2.080 1.00 . A A . 2 THR C 1 1 12 3319 1 1 2 THR CA C 3.548 -3.303 -0.983 1.00 . A A . 2 THR CA 1 1 12 3320 1 1 2 THR CB C 3.604 -4.043 0.367 1.00 . A A . 2 THR CB 1 1 12 3321 1 1 2 THR CG2 C 2.299 -4.777 0.637 1.00 . A A . 2 THR CG2 1 1 12 3322 1 1 2 THR H H 1.657 -2.383 -0.742 1.00 . A A . 2 THR H 1 1 12 3323 1 1 2 THR HA H 4.527 -2.894 -1.186 1.00 . A A . 2 THR HA 1 1 12 3324 1 1 2 THR HB H 3.761 -3.317 1.152 1.00 . A A . 2 THR HB 1 1 12 3325 1 1 2 THR HG1 H 4.406 -5.800 -0.034 1.00 . A A . 2 THR HG1 1 1 12 3326 1 1 2 THR HG21 H 1.477 -4.078 0.590 1.00 . A A . 2 THR HG21 1 1 12 3327 1 1 2 THR HG22 H 2.334 -5.224 1.620 1.00 . A A . 2 THR HG22 1 1 12 3328 1 1 2 THR HG23 H 2.159 -5.548 -0.105 1.00 . A A . 2 THR HG23 1 1 12 3329 1 1 2 THR N N 2.598 -2.199 -0.944 1.00 . A A . 2 THR N 1 1 12 3330 1 1 2 THR O O 4.061 -4.974 -2.626 1.00 . A A . 2 THR O 1 1 12 3331 1 1 2 THR OG1 O 4.690 -4.976 0.370 1.00 . A A . 2 THR OG1 1 1 12 3332 1 1 3 GLU C C 0.129 -4.793 -4.051 1.00 . A A . 3 GLU C 1 1 12 3333 1 1 3 GLU CA C 1.429 -5.297 -3.432 1.00 . A A . 3 GLU CA 1 1 12 3334 1 1 3 GLU CB C 1.221 -6.697 -2.850 1.00 . A A . 3 GLU CB 1 1 12 3335 1 1 3 GLU CD C 1.138 -7.869 -5.086 1.00 . A A . 3 GLU CD 1 1 12 3336 1 1 3 GLU CG C 0.438 -7.626 -3.763 1.00 . A A . 3 GLU CG 1 1 12 3337 1 1 3 GLU H H 1.254 -3.818 -1.928 1.00 . A A . 3 GLU H 1 1 12 3338 1 1 3 GLU HA H 2.185 -5.346 -4.202 1.00 . A A . 3 GLU HA 1 1 12 3339 1 1 3 GLU HB2 H 2.187 -7.142 -2.659 1.00 . A A . 3 GLU HB2 1 1 12 3340 1 1 3 GLU HB3 H 0.685 -6.609 -1.917 1.00 . A A . 3 GLU HB3 1 1 12 3341 1 1 3 GLU HG2 H 0.307 -8.574 -3.264 1.00 . A A . 3 GLU HG2 1 1 12 3342 1 1 3 GLU HG3 H -0.528 -7.186 -3.959 1.00 . A A . 3 GLU HG3 1 1 12 3343 1 1 3 GLU N N 1.901 -4.383 -2.399 1.00 . A A . 3 GLU N 1 1 12 3344 1 1 3 GLU O O 0.090 -4.422 -5.225 1.00 . A A . 3 GLU O 1 1 12 3345 1 1 3 GLU OE1 O 2.349 -8.175 -5.070 1.00 . A A . 3 GLU OE1 1 1 12 3346 1 1 3 GLU OE2 O 0.474 -7.753 -6.138 1.00 . A A . 3 GLU OE2 1 1 12 3347 1 1 4 TYR C C -2.597 -2.980 -3.110 1.00 . A A . 4 TYR C 1 1 12 3348 1 1 4 TYR CA C -2.237 -4.330 -3.724 1.00 . A A . 4 TYR CA 1 1 12 3349 1 1 4 TYR CB C -3.314 -5.361 -3.384 1.00 . A A . 4 TYR CB 1 1 12 3350 1 1 4 TYR CD1 C -3.314 -5.233 -0.862 1.00 . A A . 4 TYR CD1 1 1 12 3351 1 1 4 TYR CD2 C -2.815 -7.329 -1.881 1.00 . A A . 4 TYR CD2 1 1 12 3352 1 1 4 TYR CE1 C -3.158 -5.799 0.389 1.00 . A A . 4 TYR CE1 1 1 12 3353 1 1 4 TYR CE2 C -2.659 -7.903 -0.635 1.00 . A A . 4 TYR CE2 1 1 12 3354 1 1 4 TYR CG C -3.144 -5.985 -2.017 1.00 . A A . 4 TYR CG 1 1 12 3355 1 1 4 TYR CZ C -2.831 -7.134 0.497 1.00 . A A . 4 TYR CZ 1 1 12 3356 1 1 4 TYR H H -0.841 -5.093 -2.329 1.00 . A A . 4 TYR H 1 1 12 3357 1 1 4 TYR HA H -2.184 -4.221 -4.798 1.00 . A A . 4 TYR HA 1 1 12 3358 1 1 4 TYR HB2 H -4.282 -4.884 -3.412 1.00 . A A . 4 TYR HB2 1 1 12 3359 1 1 4 TYR HB3 H -3.288 -6.154 -4.117 1.00 . A A . 4 TYR HB3 1 1 12 3360 1 1 4 TYR HD1 H -3.570 -4.187 -0.950 1.00 . A A . 4 TYR HD1 1 1 12 3361 1 1 4 TYR HD2 H -2.680 -7.928 -2.770 1.00 . A A . 4 TYR HD2 1 1 12 3362 1 1 4 TYR HE1 H -3.294 -5.197 1.275 1.00 . A A . 4 TYR HE1 1 1 12 3363 1 1 4 TYR HE2 H -2.403 -8.949 -0.550 1.00 . A A . 4 TYR HE2 1 1 12 3364 1 1 4 TYR HH H -1.759 -7.952 1.867 1.00 . A A . 4 TYR HH 1 1 12 3365 1 1 4 TYR N N -0.934 -4.785 -3.255 1.00 . A A . 4 TYR N 1 1 12 3366 1 1 4 TYR O O -3.420 -2.239 -3.648 1.00 . A A . 4 TYR O 1 1 12 3367 1 1 4 TYR OH O -2.677 -7.702 1.741 1.00 . A A . 4 TYR OH 1 1 12 3368 1 1 5 LYS C C -1.750 -0.225 -2.127 1.00 . A A . 5 LYS C 1 1 12 3369 1 1 5 LYS CA C -2.225 -1.408 -1.289 1.00 . A A . 5 LYS CA 1 1 12 3370 1 1 5 LYS CB C -1.523 -1.398 0.071 1.00 . A A . 5 LYS CB 1 1 12 3371 1 1 5 LYS CD C -1.250 -2.863 2.094 1.00 . A A . 5 LYS CD 1 1 12 3372 1 1 5 LYS CE C -1.850 -3.016 3.483 1.00 . A A . 5 LYS CE 1 1 12 3373 1 1 5 LYS CG C -2.235 -2.223 1.129 1.00 . A A . 5 LYS CG 1 1 12 3374 1 1 5 LYS H H -1.329 -3.301 -1.598 1.00 . A A . 5 LYS H 1 1 12 3375 1 1 5 LYS HA H -3.290 -1.321 -1.135 1.00 . A A . 5 LYS HA 1 1 12 3376 1 1 5 LYS HB2 H -0.524 -1.792 -0.050 1.00 . A A . 5 LYS HB2 1 1 12 3377 1 1 5 LYS HB3 H -1.459 -0.378 0.422 1.00 . A A . 5 LYS HB3 1 1 12 3378 1 1 5 LYS HD2 H -0.979 -3.839 1.722 1.00 . A A . 5 LYS HD2 1 1 12 3379 1 1 5 LYS HD3 H -0.368 -2.242 2.158 1.00 . A A . 5 LYS HD3 1 1 12 3380 1 1 5 LYS HE2 H -2.863 -3.376 3.386 1.00 . A A . 5 LYS HE2 1 1 12 3381 1 1 5 LYS HE3 H -1.264 -3.735 4.036 1.00 . A A . 5 LYS HE3 1 1 12 3382 1 1 5 LYS HG2 H -2.901 -1.580 1.686 1.00 . A A . 5 LYS HG2 1 1 12 3383 1 1 5 LYS HG3 H -2.806 -3.001 0.643 1.00 . A A . 5 LYS HG3 1 1 12 3384 1 1 5 LYS HZ1 H -1.065 -1.131 3.926 1.00 . A A . 5 LYS HZ1 1 1 12 3385 1 1 5 LYS HZ2 H -1.786 -1.902 5.249 1.00 . A A . 5 LYS HZ2 1 1 12 3386 1 1 5 LYS HZ3 H -2.751 -1.216 4.041 1.00 . A A . 5 LYS HZ3 1 1 12 3387 1 1 5 LYS N N -1.974 -2.668 -1.978 1.00 . A A . 5 LYS N 1 1 12 3388 1 1 5 LYS NZ N -1.864 -1.726 4.227 1.00 . A A . 5 LYS NZ 1 1 12 3389 1 1 5 LYS O O -2.104 0.923 -1.855 1.00 . A A . 5 LYS O 1 1 12 3390 1 1 6 LEU C C -1.431 0.868 -5.123 1.00 . A A . 6 LEU C 1 1 12 3391 1 1 6 LEU CA C -0.427 0.528 -4.026 1.00 . A A . 6 LEU CA 1 1 12 3392 1 1 6 LEU CB C 0.895 0.079 -4.650 1.00 . A A . 6 LEU CB 1 1 12 3393 1 1 6 LEU CD1 C 0.899 -0.883 -6.965 1.00 . A A . 6 LEU CD1 1 1 12 3394 1 1 6 LEU CD2 C 1.985 -2.135 -5.091 1.00 . A A . 6 LEU CD2 1 1 12 3395 1 1 6 LEU CG C 0.845 -1.205 -5.479 1.00 . A A . 6 LEU CG 1 1 12 3396 1 1 6 LEU H H -0.703 -1.446 -3.314 1.00 . A A . 6 LEU H 1 1 12 3397 1 1 6 LEU HA H -0.253 1.410 -3.428 1.00 . A A . 6 LEU HA 1 1 12 3398 1 1 6 LEU HB2 H 1.244 0.873 -5.292 1.00 . A A . 6 LEU HB2 1 1 12 3399 1 1 6 LEU HB3 H 1.604 -0.071 -3.848 1.00 . A A . 6 LEU HB3 1 1 12 3400 1 1 6 LEU HD11 H 0.599 -1.751 -7.532 1.00 . A A . 6 LEU HD11 1 1 12 3401 1 1 6 LEU HD12 H 1.907 -0.606 -7.236 1.00 . A A . 6 LEU HD12 1 1 12 3402 1 1 6 LEU HD13 H 0.231 -0.062 -7.180 1.00 . A A . 6 LEU HD13 1 1 12 3403 1 1 6 LEU HD21 H 1.914 -3.048 -5.663 1.00 . A A . 6 LEU HD21 1 1 12 3404 1 1 6 LEU HD22 H 1.919 -2.364 -4.038 1.00 . A A . 6 LEU HD22 1 1 12 3405 1 1 6 LEU HD23 H 2.929 -1.653 -5.296 1.00 . A A . 6 LEU HD23 1 1 12 3406 1 1 6 LEU HG H -0.087 -1.716 -5.283 1.00 . A A . 6 LEU HG 1 1 12 3407 1 1 6 LEU N N -0.950 -0.513 -3.147 1.00 . A A . 6 LEU N 1 1 12 3408 1 1 6 LEU O O -1.361 1.934 -5.735 1.00 . A A . 6 LEU O 1 1 12 3409 1 1 7 VAL C C -4.759 0.368 -5.759 1.00 . A A . 7 VAL C 1 1 12 3410 1 1 7 VAL CA C -3.386 0.159 -6.388 1.00 . A A . 7 VAL CA 1 1 12 3411 1 1 7 VAL CB C -3.456 -1.035 -7.359 1.00 . A A . 7 VAL CB 1 1 12 3412 1 1 7 VAL CG1 C -4.547 -0.818 -8.396 1.00 . A A . 7 VAL CG1 1 1 12 3413 1 1 7 VAL CG2 C -2.108 -1.255 -8.029 1.00 . A A . 7 VAL CG2 1 1 12 3414 1 1 7 VAL H H -2.370 -0.876 -4.846 1.00 . A A . 7 VAL H 1 1 12 3415 1 1 7 VAL HA H -3.122 1.040 -6.953 1.00 . A A . 7 VAL HA 1 1 12 3416 1 1 7 VAL HB H -3.701 -1.921 -6.791 1.00 . A A . 7 VAL HB 1 1 12 3417 1 1 7 VAL HG11 H -4.547 -1.640 -9.096 1.00 . A A . 7 VAL HG11 1 1 12 3418 1 1 7 VAL HG12 H -5.507 -0.763 -7.903 1.00 . A A . 7 VAL HG12 1 1 12 3419 1 1 7 VAL HG13 H -4.361 0.105 -8.925 1.00 . A A . 7 VAL HG13 1 1 12 3420 1 1 7 VAL HG21 H -1.531 -1.964 -7.454 1.00 . A A . 7 VAL HG21 1 1 12 3421 1 1 7 VAL HG22 H -2.261 -1.640 -9.026 1.00 . A A . 7 VAL HG22 1 1 12 3422 1 1 7 VAL HG23 H -1.575 -0.317 -8.083 1.00 . A A . 7 VAL HG23 1 1 12 3423 1 1 7 VAL N N -2.366 -0.046 -5.367 1.00 . A A . 7 VAL N 1 1 12 3424 1 1 7 VAL O O -5.411 1.387 -5.989 1.00 . A A . 7 VAL O 1 1 12 3425 1 1 8 VAL C C -6.548 0.667 -3.348 1.00 . A A . 8 VAL C 1 1 12 3426 1 1 8 VAL CA C -6.489 -0.525 -4.297 1.00 . A A . 8 VAL CA 1 1 12 3427 1 1 8 VAL CB C -6.793 -1.812 -3.507 1.00 . A A . 8 VAL CB 1 1 12 3428 1 1 8 VAL CG1 C -8.154 -1.717 -2.836 1.00 . A A . 8 VAL CG1 1 1 12 3429 1 1 8 VAL CG2 C -6.723 -3.026 -4.421 1.00 . A A . 8 VAL CG2 1 1 12 3430 1 1 8 VAL H H -4.629 -1.391 -4.816 1.00 . A A . 8 VAL H 1 1 12 3431 1 1 8 VAL HA H -7.247 -0.406 -5.056 1.00 . A A . 8 VAL HA 1 1 12 3432 1 1 8 VAL HB H -6.043 -1.923 -2.737 1.00 . A A . 8 VAL HB 1 1 12 3433 1 1 8 VAL HG11 H -8.590 -0.751 -3.042 1.00 . A A . 8 VAL HG11 1 1 12 3434 1 1 8 VAL HG12 H -8.800 -2.494 -3.219 1.00 . A A . 8 VAL HG12 1 1 12 3435 1 1 8 VAL HG13 H -8.038 -1.839 -1.769 1.00 . A A . 8 VAL HG13 1 1 12 3436 1 1 8 VAL HG21 H -6.734 -3.926 -3.825 1.00 . A A . 8 VAL HG21 1 1 12 3437 1 1 8 VAL HG22 H -7.573 -3.024 -5.086 1.00 . A A . 8 VAL HG22 1 1 12 3438 1 1 8 VAL HG23 H -5.812 -2.989 -5.000 1.00 . A A . 8 VAL HG23 1 1 12 3439 1 1 8 VAL N N -5.193 -0.603 -4.961 1.00 . A A . 8 VAL N 1 1 12 3440 1 1 8 VAL O O -7.451 1.499 -3.434 1.00 . A A . 8 VAL O 1 1 12 3441 1 1 9 VAL C C -4.746 3.023 -2.036 1.00 . A A . 9 VAL C 1 1 12 3442 1 1 9 VAL CA C -5.519 1.835 -1.476 1.00 . A A . 9 VAL CA 1 1 12 3443 1 1 9 VAL CB C -4.861 1.383 -0.158 1.00 . A A . 9 VAL CB 1 1 12 3444 1 1 9 VAL CG1 C -4.992 2.466 0.902 1.00 . A A . 9 VAL CG1 1 1 12 3445 1 1 9 VAL CG2 C -5.474 0.077 0.323 1.00 . A A . 9 VAL CG2 1 1 12 3446 1 1 9 VAL H H -4.887 0.050 -2.422 1.00 . A A . 9 VAL H 1 1 12 3447 1 1 9 VAL HA H -6.531 2.145 -1.260 1.00 . A A . 9 VAL HA 1 1 12 3448 1 1 9 VAL HB H -3.810 1.216 -0.343 1.00 . A A . 9 VAL HB 1 1 12 3449 1 1 9 VAL HG11 H -6.017 2.803 0.947 1.00 . A A . 9 VAL HG11 1 1 12 3450 1 1 9 VAL HG12 H -4.700 2.066 1.863 1.00 . A A . 9 VAL HG12 1 1 12 3451 1 1 9 VAL HG13 H -4.351 3.297 0.648 1.00 . A A . 9 VAL HG13 1 1 12 3452 1 1 9 VAL HG21 H -4.965 -0.253 1.216 1.00 . A A . 9 VAL HG21 1 1 12 3453 1 1 9 VAL HG22 H -6.521 0.230 0.541 1.00 . A A . 9 VAL HG22 1 1 12 3454 1 1 9 VAL HG23 H -5.374 -0.674 -0.447 1.00 . A A . 9 VAL HG23 1 1 12 3455 1 1 9 VAL N N -5.579 0.743 -2.441 1.00 . A A . 9 VAL N 1 1 12 3456 1 1 9 VAL O O -4.969 4.165 -1.638 1.00 . A A . 9 VAL O 1 1 12 3457 1 1 10 GLY C C -3.873 4.724 -4.438 1.00 . A A . 10 GLY C 1 1 12 3458 1 1 10 GLY CA C -3.044 3.801 -3.566 1.00 . A A . 10 GLY CA 1 1 12 3459 1 1 10 GLY H H -3.702 1.815 -3.244 1.00 . A A . 10 GLY H 1 1 12 3460 1 1 10 GLY HA2 H -2.583 4.382 -2.781 1.00 . A A . 10 GLY HA2 1 1 12 3461 1 1 10 GLY HA3 H -2.268 3.354 -4.171 1.00 . A A . 10 GLY HA3 1 1 12 3462 1 1 10 GLY N N -3.836 2.745 -2.965 1.00 . A A . 10 GLY N 1 1 12 3463 1 1 10 GLY O O -3.463 5.847 -4.730 1.00 . A A . 10 GLY O 1 1 12 3464 1 1 11 ALA C C -6.893 5.867 -4.858 1.00 . A A . 11 ALA C 1 1 12 3465 1 1 11 ALA CA C -5.929 5.038 -5.700 1.00 . A A . 11 ALA CA 1 1 12 3466 1 1 11 ALA CB C -6.700 4.132 -6.649 1.00 . A A . 11 ALA CB 1 1 12 3467 1 1 11 ALA H H -5.312 3.345 -4.591 1.00 . A A . 11 ALA H 1 1 12 3468 1 1 11 ALA HA H -5.320 5.705 -6.294 1.00 . A A . 11 ALA HA 1 1 12 3469 1 1 11 ALA HB1 H -6.995 3.233 -6.127 1.00 . A A . 11 ALA HB1 1 1 12 3470 1 1 11 ALA HB2 H -7.580 4.648 -7.004 1.00 . A A . 11 ALA HB2 1 1 12 3471 1 1 11 ALA HB3 H -6.072 3.871 -7.487 1.00 . A A . 11 ALA HB3 1 1 12 3472 1 1 11 ALA N N -5.041 4.248 -4.857 1.00 . A A . 11 ALA N 1 1 12 3473 1 1 11 ALA O O -7.199 7.010 -5.192 1.00 . A A . 11 ALA O 1 1 12 3474 1 1 12 GLY C C -8.859 5.084 -1.807 1.00 . A A . 12 GLY C 1 1 12 3475 1 1 12 GLY CA C -8.292 5.981 -2.889 1.00 . A A . 12 GLY CA 1 1 12 3476 1 1 12 GLY H H -7.088 4.368 -3.545 1.00 . A A . 12 GLY H 1 1 12 3477 1 1 12 GLY HA2 H -7.776 6.807 -2.424 1.00 . A A . 12 GLY HA2 1 1 12 3478 1 1 12 GLY HA3 H -9.107 6.368 -3.483 1.00 . A A . 12 GLY HA3 1 1 12 3479 1 1 12 GLY N N -7.368 5.282 -3.762 1.00 . A A . 12 GLY N 1 1 12 3480 1 1 12 GLY O O -9.052 5.515 -0.671 1.00 . A A . 12 GLY O 1 1 12 3481 1 1 13 GLY C C -10.905 2.175 -1.724 1.00 . A A . 13 GLY C 1 1 12 3482 1 1 13 GLY CA C -9.676 2.891 -1.199 1.00 . A A . 13 GLY CA 1 1 12 3483 1 1 13 GLY H H -8.955 3.542 -3.080 1.00 . A A . 13 GLY H 1 1 12 3484 1 1 13 GLY HA2 H -8.921 2.158 -0.958 1.00 . A A . 13 GLY HA2 1 1 12 3485 1 1 13 GLY HA3 H -9.943 3.427 -0.300 1.00 . A A . 13 GLY HA3 1 1 12 3486 1 1 13 GLY N N -9.129 3.831 -2.160 1.00 . A A . 13 GLY N 1 1 12 3487 1 1 13 GLY O O -12.030 2.640 -1.538 1.00 . A A . 13 GLY O 1 1 12 3488 1 1 14 VAL C C -12.362 -0.698 -1.897 1.00 . A A . 14 VAL C 1 1 12 3489 1 1 14 VAL CA C -11.790 0.259 -2.937 1.00 . A A . 14 VAL CA 1 1 12 3490 1 1 14 VAL CB C -11.340 -0.547 -4.169 1.00 . A A . 14 VAL CB 1 1 12 3491 1 1 14 VAL CG1 C -12.533 -1.216 -4.835 1.00 . A A . 14 VAL CG1 1 1 12 3492 1 1 14 VAL CG2 C -10.604 0.350 -5.153 1.00 . A A . 14 VAL CG2 1 1 12 3493 1 1 14 VAL H H -9.772 0.721 -2.498 1.00 . A A . 14 VAL H 1 1 12 3494 1 1 14 VAL HA H -12.566 0.945 -3.245 1.00 . A A . 14 VAL HA 1 1 12 3495 1 1 14 VAL HB H -10.660 -1.319 -3.840 1.00 . A A . 14 VAL HB 1 1 12 3496 1 1 14 VAL HG11 H -12.771 -2.131 -4.311 1.00 . A A . 14 VAL HG11 1 1 12 3497 1 1 14 VAL HG12 H -13.383 -0.551 -4.803 1.00 . A A . 14 VAL HG12 1 1 12 3498 1 1 14 VAL HG13 H -12.291 -1.444 -5.862 1.00 . A A . 14 VAL HG13 1 1 12 3499 1 1 14 VAL HG21 H -9.545 0.321 -4.944 1.00 . A A . 14 VAL HG21 1 1 12 3500 1 1 14 VAL HG22 H -10.783 0.002 -6.159 1.00 . A A . 14 VAL HG22 1 1 12 3501 1 1 14 VAL HG23 H -10.963 1.364 -5.054 1.00 . A A . 14 VAL HG23 1 1 12 3502 1 1 14 VAL N N -10.691 1.040 -2.383 1.00 . A A . 14 VAL N 1 1 12 3503 1 1 14 VAL O O -13.572 -0.916 -1.838 1.00 . A A . 14 VAL O 1 1 12 3504 1 1 15 GLY C C -11.511 -3.625 -0.350 1.00 . A A . 15 GLY C 1 1 12 3505 1 1 15 GLY CA C -11.920 -2.196 -0.052 1.00 . A A . 15 GLY CA 1 1 12 3506 1 1 15 GLY H H -10.531 -1.057 -1.173 1.00 . A A . 15 GLY H 1 1 12 3507 1 1 15 GLY HA2 H -11.489 -1.899 0.893 1.00 . A A . 15 GLY HA2 1 1 12 3508 1 1 15 GLY HA3 H -12.996 -2.151 0.025 1.00 . A A . 15 GLY HA3 1 1 12 3509 1 1 15 GLY N N -11.483 -1.268 -1.079 1.00 . A A . 15 GLY N 1 1 12 3510 1 1 15 GLY O O -12.141 -4.571 0.125 1.00 . A A . 15 GLY O 1 1 12 3511 1 1 16 LYS C C -8.907 -5.586 -0.510 1.00 . A A . 16 LYS C 1 1 12 3512 1 1 16 LYS CA C -9.962 -5.108 -1.502 1.00 . A A . 16 LYS CA 1 1 12 3513 1 1 16 LYS CB C -9.376 -5.087 -2.916 1.00 . A A . 16 LYS CB 1 1 12 3514 1 1 16 LYS CD C -11.642 -5.280 -3.981 1.00 . A A . 16 LYS CD 1 1 12 3515 1 1 16 LYS CE C -11.437 -6.747 -4.328 1.00 . A A . 16 LYS CE 1 1 12 3516 1 1 16 LYS CG C -10.325 -4.524 -3.959 1.00 . A A . 16 LYS CG 1 1 12 3517 1 1 16 LYS H H -9.995 -2.991 -1.487 1.00 . A A . 16 LYS H 1 1 12 3518 1 1 16 LYS HA H -10.798 -5.791 -1.478 1.00 . A A . 16 LYS HA 1 1 12 3519 1 1 16 LYS HB2 H -8.479 -4.485 -2.912 1.00 . A A . 16 LYS HB2 1 1 12 3520 1 1 16 LYS HB3 H -9.120 -6.097 -3.201 1.00 . A A . 16 LYS HB3 1 1 12 3521 1 1 16 LYS HD2 H -12.103 -5.213 -3.007 1.00 . A A . 16 LYS HD2 1 1 12 3522 1 1 16 LYS HD3 H -12.292 -4.832 -4.720 1.00 . A A . 16 LYS HD3 1 1 12 3523 1 1 16 LYS HE2 H -10.728 -6.816 -5.138 1.00 . A A . 16 LYS HE2 1 1 12 3524 1 1 16 LYS HE3 H -11.044 -7.256 -3.461 1.00 . A A . 16 LYS HE3 1 1 12 3525 1 1 16 LYS HG2 H -10.521 -3.487 -3.732 1.00 . A A . 16 LYS HG2 1 1 12 3526 1 1 16 LYS HG3 H -9.861 -4.599 -4.933 1.00 . A A . 16 LYS HG3 1 1 12 3527 1 1 16 LYS HZ1 H -13.493 -7.068 -4.145 1.00 . A A . 16 LYS HZ1 1 1 12 3528 1 1 16 LYS HZ2 H -12.628 -8.434 -4.641 1.00 . A A . 16 LYS HZ2 1 1 12 3529 1 1 16 LYS HZ3 H -12.922 -7.177 -5.733 1.00 . A A . 16 LYS HZ3 1 1 12 3530 1 1 16 LYS N N -10.455 -3.784 -1.140 1.00 . A A . 16 LYS N 1 1 12 3531 1 1 16 LYS NZ N -12.709 -7.402 -4.741 1.00 . A A . 16 LYS NZ 1 1 12 3532 1 1 16 LYS O O -8.989 -6.700 0.009 1.00 . A A . 16 LYS O 1 1 12 3533 1 1 17 SER C C -7.413 -5.545 2.016 1.00 . A A . 17 SER C 1 1 12 3534 1 1 17 SER CA C -6.846 -5.074 0.680 1.00 . A A . 17 SER CA 1 1 12 3535 1 1 17 SER CB C -5.932 -3.867 0.897 1.00 . A A . 17 SER CB 1 1 12 3536 1 1 17 SER H H -7.909 -3.864 -0.694 1.00 . A A . 17 SER H 1 1 12 3537 1 1 17 SER HA H -6.270 -5.877 0.244 1.00 . A A . 17 SER HA 1 1 12 3538 1 1 17 SER HB2 H -5.258 -3.773 0.060 1.00 . A A . 17 SER HB2 1 1 12 3539 1 1 17 SER HB3 H -6.534 -2.973 0.976 1.00 . A A . 17 SER HB3 1 1 12 3540 1 1 17 SER HG H -5.484 -3.388 2.743 1.00 . A A . 17 SER HG 1 1 12 3541 1 1 17 SER N N -7.919 -4.737 -0.249 1.00 . A A . 17 SER N 1 1 12 3542 1 1 17 SER O O -6.805 -6.361 2.708 1.00 . A A . 17 SER O 1 1 12 3543 1 1 17 SER OG O -5.170 -4.011 2.083 1.00 . A A . 17 SER OG 1 1 12 3544 1 1 18 HIS C C -9.398 -6.902 3.730 1.00 . A A . 18 HIS C 1 1 12 3545 1 1 18 HIS CA C -9.233 -5.389 3.626 1.00 . A A . 18 HIS CA 1 1 12 3546 1 1 18 HIS CB C -10.596 -4.706 3.735 1.00 . A A . 18 HIS CB 1 1 12 3547 1 1 18 HIS CD2 C -11.472 -2.280 3.465 1.00 . A A . 18 HIS CD2 1 1 12 3548 1 1 18 HIS CE1 C -9.599 -1.216 3.874 1.00 . A A . 18 HIS CE1 1 1 12 3549 1 1 18 HIS CG C -10.521 -3.210 3.713 1.00 . A A . 18 HIS CG 1 1 12 3550 1 1 18 HIS H H -9.018 -4.377 1.779 1.00 . A A . 18 HIS H 1 1 12 3551 1 1 18 HIS HA H -8.605 -5.051 4.436 1.00 . A A . 18 HIS HA 1 1 12 3552 1 1 18 HIS HB2 H -11.216 -5.019 2.908 1.00 . A A . 18 HIS HB2 1 1 12 3553 1 1 18 HIS HB3 H -11.066 -5.002 4.662 1.00 . A A . 18 HIS HB3 1 1 12 3554 1 1 18 HIS HD1 H -8.489 -2.907 4.178 1.00 . A A . 18 HIS HD1 1 1 12 3555 1 1 18 HIS HD2 H -12.510 -2.469 3.229 1.00 . A A . 18 HIS HD2 1 1 12 3556 1 1 18 HIS HE1 H -8.877 -0.427 4.021 1.00 . A A . 18 HIS HE1 1 1 12 3557 1 1 18 HIS N N -8.582 -5.023 2.372 1.00 . A A . 18 HIS N 1 1 12 3558 1 1 18 HIS ND1 N -9.359 -2.511 3.964 1.00 . A A . 18 HIS ND1 1 1 12 3559 1 1 18 HIS NE2 N -10.874 -1.048 3.572 1.00 . A A . 18 HIS NE2 1 1 12 3560 1 1 18 HIS O O -9.421 -7.460 4.827 1.00 . A A . 18 HIS O 1 1 12 3561 1 1 19 VAL C C -8.399 -9.717 2.977 1.00 . A A . 19 VAL C 1 1 12 3562 1 1 19 VAL CA C -9.677 -9.009 2.543 1.00 . A A . 19 VAL CA 1 1 12 3563 1 1 19 VAL CB C -10.067 -9.493 1.134 1.00 . A A . 19 VAL CB 1 1 12 3564 1 1 19 VAL CG1 C -10.218 -11.006 1.112 1.00 . A A . 19 VAL CG1 1 1 12 3565 1 1 19 VAL CG2 C -11.348 -8.814 0.674 1.00 . A A . 19 VAL CG2 1 1 12 3566 1 1 19 VAL H H -9.488 -7.060 1.739 1.00 . A A . 19 VAL H 1 1 12 3567 1 1 19 VAL HA H -10.473 -9.273 3.225 1.00 . A A . 19 VAL HA 1 1 12 3568 1 1 19 VAL HB H -9.276 -9.222 0.451 1.00 . A A . 19 VAL HB 1 1 12 3569 1 1 19 VAL HG11 H -10.394 -11.365 2.116 1.00 . A A . 19 VAL HG11 1 1 12 3570 1 1 19 VAL HG12 H -11.052 -11.276 0.481 1.00 . A A . 19 VAL HG12 1 1 12 3571 1 1 19 VAL HG13 H -9.314 -11.452 0.725 1.00 . A A . 19 VAL HG13 1 1 12 3572 1 1 19 VAL HG21 H -12.101 -9.562 0.475 1.00 . A A . 19 VAL HG21 1 1 12 3573 1 1 19 VAL HG22 H -11.699 -8.146 1.446 1.00 . A A . 19 VAL HG22 1 1 12 3574 1 1 19 VAL HG23 H -11.154 -8.251 -0.228 1.00 . A A . 19 VAL HG23 1 1 12 3575 1 1 19 VAL N N -9.514 -7.560 2.581 1.00 . A A . 19 VAL N 1 1 12 3576 1 1 19 VAL O O -8.417 -10.556 3.878 1.00 . A A . 19 VAL O 1 1 12 3577 1 1 20 TRP C C -5.436 -9.400 3.942 1.00 . A A . 20 TRP C 1 1 12 3578 1 1 20 TRP CA C -6.002 -9.977 2.649 1.00 . A A . 20 TRP CA 1 1 12 3579 1 1 20 TRP CB C -5.014 -9.757 1.502 1.00 . A A . 20 TRP CB 1 1 12 3580 1 1 20 TRP CD1 C -6.254 -9.872 -0.739 1.00 . A A . 20 TRP CD1 1 1 12 3581 1 1 20 TRP CD2 C -5.073 -11.710 -0.244 1.00 . A A . 20 TRP CD2 1 1 12 3582 1 1 20 TRP CE2 C -5.701 -11.901 -1.490 1.00 . A A . 20 TRP CE2 1 1 12 3583 1 1 20 TRP CE3 C -4.275 -12.734 0.272 1.00 . A A . 20 TRP CE3 1 1 12 3584 1 1 20 TRP CG C -5.439 -10.406 0.219 1.00 . A A . 20 TRP CG 1 1 12 3585 1 1 20 TRP CH2 C -4.768 -14.061 -1.696 1.00 . A A . 20 TRP CH2 1 1 12 3586 1 1 20 TRP CZ2 C -5.555 -13.074 -2.225 1.00 . A A . 20 TRP CZ2 1 1 12 3587 1 1 20 TRP CZ3 C -4.131 -13.899 -0.458 1.00 . A A . 20 TRP CZ3 1 1 12 3588 1 1 20 TRP H H -7.340 -8.699 1.621 1.00 . A A . 20 TRP H 1 1 12 3589 1 1 20 TRP HA H -6.157 -11.038 2.780 1.00 . A A . 20 TRP HA 1 1 12 3590 1 1 20 TRP HB2 H -4.912 -8.697 1.322 1.00 . A A . 20 TRP HB2 1 1 12 3591 1 1 20 TRP HB3 H -4.054 -10.165 1.780 1.00 . A A . 20 TRP HB3 1 1 12 3592 1 1 20 TRP HD1 H -6.699 -8.891 -0.680 1.00 . A A . 20 TRP HD1 1 1 12 3593 1 1 20 TRP HE1 H -6.954 -10.614 -2.574 1.00 . A A . 20 TRP HE1 1 1 12 3594 1 1 20 TRP HE3 H -3.776 -12.628 1.224 1.00 . A A . 20 TRP HE3 1 1 12 3595 1 1 20 TRP HH2 H -4.627 -14.987 -2.232 1.00 . A A . 20 TRP HH2 1 1 12 3596 1 1 20 TRP HZ2 H -6.038 -13.215 -3.181 1.00 . A A . 20 TRP HZ2 1 1 12 3597 1 1 20 TRP HZ3 H -3.518 -14.701 -0.075 1.00 . A A . 20 TRP HZ3 1 1 12 3598 1 1 20 TRP N N -7.291 -9.374 2.330 1.00 . A A . 20 TRP N 1 1 12 3599 1 1 20 TRP NE1 N -6.416 -10.766 -1.769 1.00 . A A . 20 TRP NE1 1 1 12 3600 1 1 20 TRP O O -5.869 -8.344 4.404 1.00 . A A . 20 TRP O 1 1 13 3601 1 1 1 MET C C 3.513 -1.177 -1.264 1.00 . A A . 1 MET C 1 1 13 3602 1 1 1 MET CA C 2.698 0.085 -1.530 1.00 . A A . 1 MET CA 1 1 13 3603 1 1 1 MET CB C 3.097 1.181 -0.540 1.00 . A A . 1 MET CB 1 1 13 3604 1 1 1 MET CE C 5.273 4.028 -2.646 1.00 . A A . 1 MET CE 1 1 13 3605 1 1 1 MET CG C 4.268 2.028 -1.011 1.00 . A A . 1 MET CG 1 1 13 3606 1 1 1 MET H1 H 0.745 0.247 -0.729 1.00 . A A . 1 MET H1 1 1 13 3607 1 1 1 MET HA H 2.902 0.426 -2.533 1.00 . A A . 1 MET HA 1 1 13 3608 1 1 1 MET HB2 H 2.250 1.833 -0.383 1.00 . A A . 1 MET HB2 1 1 13 3609 1 1 1 MET HB3 H 3.368 0.722 0.399 1.00 . A A . 1 MET HB3 1 1 13 3610 1 1 1 MET HE1 H 5.081 4.281 -3.678 1.00 . A A . 1 MET HE1 1 1 13 3611 1 1 1 MET HE2 H 5.679 4.888 -2.134 1.00 . A A . 1 MET HE2 1 1 13 3612 1 1 1 MET HE3 H 5.982 3.214 -2.600 1.00 . A A . 1 MET HE3 1 1 13 3613 1 1 1 MET HG2 H 4.863 2.305 -0.154 1.00 . A A . 1 MET HG2 1 1 13 3614 1 1 1 MET HG3 H 4.869 1.440 -1.689 1.00 . A A . 1 MET HG3 1 1 13 3615 1 1 1 MET N N 1.269 -0.190 -1.432 1.00 . A A . 1 MET N 1 1 13 3616 1 1 1 MET O O 4.744 -1.153 -1.300 1.00 . A A . 1 MET O 1 1 13 3617 1 1 1 MET SD S 3.743 3.530 -1.859 1.00 . A A . 1 MET SD 1 1 13 3618 1 1 2 THR C C 3.175 -4.573 -1.814 1.00 . A A . 2 THR C 1 1 13 3619 1 1 2 THR CA C 3.479 -3.550 -0.725 1.00 . A A . 2 THR CA 1 1 13 3620 1 1 2 THR CB C 3.049 -4.125 0.638 1.00 . A A . 2 THR CB 1 1 13 3621 1 1 2 THR CG2 C 1.570 -4.480 0.633 1.00 . A A . 2 THR CG2 1 1 13 3622 1 1 2 THR H H 1.841 -2.235 -0.984 1.00 . A A . 2 THR H 1 1 13 3623 1 1 2 THR HA H 4.544 -3.374 -0.698 1.00 . A A . 2 THR HA 1 1 13 3624 1 1 2 THR HB H 3.222 -3.376 1.398 1.00 . A A . 2 THR HB 1 1 13 3625 1 1 2 THR HG1 H 4.241 -5.180 1.803 1.00 . A A . 2 THR HG1 1 1 13 3626 1 1 2 THR HG21 H 1.378 -5.211 -0.138 1.00 . A A . 2 THR HG21 1 1 13 3627 1 1 2 THR HG22 H 0.987 -3.592 0.440 1.00 . A A . 2 THR HG22 1 1 13 3628 1 1 2 THR HG23 H 1.295 -4.890 1.593 1.00 . A A . 2 THR HG23 1 1 13 3629 1 1 2 THR N N 2.819 -2.279 -0.998 1.00 . A A . 2 THR N 1 1 13 3630 1 1 2 THR O O 3.969 -5.478 -2.066 1.00 . A A . 2 THR O 1 1 13 3631 1 1 2 THR OG1 O 3.823 -5.290 0.945 1.00 . A A . 2 THR OG1 1 1 13 3632 1 1 3 GLU C C 0.353 -4.827 -4.215 1.00 . A A . 3 GLU C 1 1 13 3633 1 1 3 GLU CA C 1.612 -5.333 -3.518 1.00 . A A . 3 GLU CA 1 1 13 3634 1 1 3 GLU CB C 1.367 -6.733 -2.952 1.00 . A A . 3 GLU CB 1 1 13 3635 1 1 3 GLU CD C 0.434 -9.048 -3.341 1.00 . A A . 3 GLU CD 1 1 13 3636 1 1 3 GLU CG C 0.635 -7.657 -3.911 1.00 . A A . 3 GLU CG 1 1 13 3637 1 1 3 GLU H H 1.429 -3.679 -2.209 1.00 . A A . 3 GLU H 1 1 13 3638 1 1 3 GLU HA H 2.414 -5.381 -4.239 1.00 . A A . 3 GLU HA 1 1 13 3639 1 1 3 GLU HB2 H 2.319 -7.182 -2.708 1.00 . A A . 3 GLU HB2 1 1 13 3640 1 1 3 GLU HB3 H 0.780 -6.646 -2.050 1.00 . A A . 3 GLU HB3 1 1 13 3641 1 1 3 GLU HG2 H -0.333 -7.233 -4.131 1.00 . A A . 3 GLU HG2 1 1 13 3642 1 1 3 GLU HG3 H 1.208 -7.737 -4.823 1.00 . A A . 3 GLU HG3 1 1 13 3643 1 1 3 GLU N N 2.020 -4.421 -2.455 1.00 . A A . 3 GLU N 1 1 13 3644 1 1 3 GLU O O 0.383 -4.471 -5.394 1.00 . A A . 3 GLU O 1 1 13 3645 1 1 3 GLU OE1 O 1.208 -9.440 -2.443 1.00 . A A . 3 GLU OE1 1 1 13 3646 1 1 3 GLU OE2 O -0.498 -9.745 -3.794 1.00 . A A . 3 GLU OE2 1 1 13 3647 1 1 4 TYR C C -2.435 -3.008 -3.406 1.00 . A A . 4 TYR C 1 1 13 3648 1 1 4 TYR CA C -2.024 -4.339 -4.027 1.00 . A A . 4 TYR CA 1 1 13 3649 1 1 4 TYR CB C -3.114 -5.385 -3.788 1.00 . A A . 4 TYR CB 1 1 13 3650 1 1 4 TYR CD1 C -3.288 -5.324 -1.269 1.00 . A A . 4 TYR CD1 1 1 13 3651 1 1 4 TYR CD2 C -2.701 -7.388 -2.307 1.00 . A A . 4 TYR CD2 1 1 13 3652 1 1 4 TYR CE1 C -3.215 -5.922 -0.027 1.00 . A A . 4 TYR CE1 1 1 13 3653 1 1 4 TYR CE2 C -2.626 -7.995 -1.068 1.00 . A A . 4 TYR CE2 1 1 13 3654 1 1 4 TYR CG C -3.033 -6.044 -2.430 1.00 . A A . 4 TYR CG 1 1 13 3655 1 1 4 TYR CZ C -2.883 -7.258 0.069 1.00 . A A . 4 TYR CZ 1 1 13 3656 1 1 4 TYR H H -0.714 -5.095 -2.547 1.00 . A A . 4 TYR H 1 1 13 3657 1 1 4 TYR HA H -1.896 -4.203 -5.091 1.00 . A A . 4 TYR HA 1 1 13 3658 1 1 4 TYR HB2 H -4.080 -4.912 -3.869 1.00 . A A . 4 TYR HB2 1 1 13 3659 1 1 4 TYR HB3 H -3.032 -6.158 -4.538 1.00 . A A . 4 TYR HB3 1 1 13 3660 1 1 4 TYR HD1 H -3.548 -4.278 -1.348 1.00 . A A . 4 TYR HD1 1 1 13 3661 1 1 4 TYR HD2 H -2.500 -7.963 -3.200 1.00 . A A . 4 TYR HD2 1 1 13 3662 1 1 4 TYR HE1 H -3.416 -5.346 0.864 1.00 . A A . 4 TYR HE1 1 1 13 3663 1 1 4 TYR HE2 H -2.366 -9.041 -0.993 1.00 . A A . 4 TYR HE2 1 1 13 3664 1 1 4 TYR HH H -1.925 -8.206 1.440 1.00 . A A . 4 TYR HH 1 1 13 3665 1 1 4 TYR N N -0.753 -4.798 -3.480 1.00 . A A . 4 TYR N 1 1 13 3666 1 1 4 TYR O O -3.222 -2.257 -3.983 1.00 . A A . 4 TYR O 1 1 13 3667 1 1 4 TYR OH O -2.810 -7.858 1.305 1.00 . A A . 4 TYR OH 1 1 13 3668 1 1 5 LYS C C -1.798 -0.269 -2.358 1.00 . A A . 5 LYS C 1 1 13 3669 1 1 5 LYS CA C -2.204 -1.481 -1.525 1.00 . A A . 5 LYS CA 1 1 13 3670 1 1 5 LYS CB C -1.489 -1.445 -0.172 1.00 . A A . 5 LYS CB 1 1 13 3671 1 1 5 LYS CD C -1.224 -2.942 1.827 1.00 . A A . 5 LYS CD 1 1 13 3672 1 1 5 LYS CE C -1.773 -3.082 3.238 1.00 . A A . 5 LYS CE 1 1 13 3673 1 1 5 LYS CG C -2.206 -2.226 0.915 1.00 . A A . 5 LYS CG 1 1 13 3674 1 1 5 LYS H H -1.275 -3.360 -1.817 1.00 . A A . 5 LYS H 1 1 13 3675 1 1 5 LYS HA H -3.270 -1.448 -1.360 1.00 . A A . 5 LYS HA 1 1 13 3676 1 1 5 LYS HB2 H -0.499 -1.858 -0.291 1.00 . A A . 5 LYS HB2 1 1 13 3677 1 1 5 LYS HB3 H -1.404 -0.416 0.149 1.00 . A A . 5 LYS HB3 1 1 13 3678 1 1 5 LYS HD2 H -1.030 -3.928 1.430 1.00 . A A . 5 LYS HD2 1 1 13 3679 1 1 5 LYS HD3 H -0.302 -2.379 1.862 1.00 . A A . 5 LYS HD3 1 1 13 3680 1 1 5 LYS HE2 H -2.840 -3.233 3.182 1.00 . A A . 5 LYS HE2 1 1 13 3681 1 1 5 LYS HE3 H -1.312 -3.939 3.707 1.00 . A A . 5 LYS HE3 1 1 13 3682 1 1 5 LYS HG2 H -2.797 -1.543 1.507 1.00 . A A . 5 LYS HG2 1 1 13 3683 1 1 5 LYS HG3 H -2.854 -2.957 0.453 1.00 . A A . 5 LYS HG3 1 1 13 3684 1 1 5 LYS HZ1 H -1.356 -2.141 5.057 1.00 . A A . 5 LYS HZ1 1 1 13 3685 1 1 5 LYS HZ2 H -2.299 -1.211 4.004 1.00 . A A . 5 LYS HZ2 1 1 13 3686 1 1 5 LYS HZ3 H -0.642 -1.392 3.718 1.00 . A A . 5 LYS HZ3 1 1 13 3687 1 1 5 LYS N N -1.896 -2.721 -2.226 1.00 . A A . 5 LYS N 1 1 13 3688 1 1 5 LYS NZ N -1.498 -1.872 4.062 1.00 . A A . 5 LYS NZ 1 1 13 3689 1 1 5 LYS O O -2.280 0.842 -2.134 1.00 . A A . 5 LYS O 1 1 13 3690 1 1 6 LEU C C -1.460 0.884 -5.284 1.00 . A A . 6 LEU C 1 1 13 3691 1 1 6 LEU CA C -0.440 0.583 -4.191 1.00 . A A . 6 LEU CA 1 1 13 3692 1 1 6 LEU CB C 0.902 0.206 -4.820 1.00 . A A . 6 LEU CB 1 1 13 3693 1 1 6 LEU CD1 C 0.861 -0.691 -7.160 1.00 . A A . 6 LEU CD1 1 1 13 3694 1 1 6 LEU CD2 C 2.133 -1.905 -5.381 1.00 . A A . 6 LEU CD2 1 1 13 3695 1 1 6 LEU CG C 0.907 -1.055 -5.684 1.00 . A A . 6 LEU CG 1 1 13 3696 1 1 6 LEU H H -0.562 -1.397 -3.452 1.00 . A A . 6 LEU H 1 1 13 3697 1 1 6 LEU HA H -0.309 1.466 -3.584 1.00 . A A . 6 LEU HA 1 1 13 3698 1 1 6 LEU HB2 H 1.221 1.031 -5.437 1.00 . A A . 6 LEU HB2 1 1 13 3699 1 1 6 LEU HB3 H 1.613 0.062 -4.019 1.00 . A A . 6 LEU HB3 1 1 13 3700 1 1 6 LEU HD11 H 1.840 -0.368 -7.482 1.00 . A A . 6 LEU HD11 1 1 13 3701 1 1 6 LEU HD12 H 0.150 0.107 -7.312 1.00 . A A . 6 LEU HD12 1 1 13 3702 1 1 6 LEU HD13 H 0.560 -1.555 -7.735 1.00 . A A . 6 LEU HD13 1 1 13 3703 1 1 6 LEU HD21 H 2.215 -2.694 -6.114 1.00 . A A . 6 LEU HD21 1 1 13 3704 1 1 6 LEU HD22 H 2.036 -2.337 -4.396 1.00 . A A . 6 LEU HD22 1 1 13 3705 1 1 6 LEU HD23 H 3.018 -1.286 -5.416 1.00 . A A . 6 LEU HD23 1 1 13 3706 1 1 6 LEU HG H 0.028 -1.643 -5.459 1.00 . A A . 6 LEU HG 1 1 13 3707 1 1 6 LEU N N -0.910 -0.491 -3.322 1.00 . A A . 6 LEU N 1 1 13 3708 1 1 6 LEU O O -1.408 1.934 -5.924 1.00 . A A . 6 LEU O 1 1 13 3709 1 1 7 VAL C C -4.797 0.307 -5.863 1.00 . A A . 7 VAL C 1 1 13 3710 1 1 7 VAL CA C -3.425 0.125 -6.504 1.00 . A A . 7 VAL CA 1 1 13 3711 1 1 7 VAL CB C -3.474 -1.081 -7.461 1.00 . A A . 7 VAL CB 1 1 13 3712 1 1 7 VAL CG1 C -4.580 -0.901 -8.490 1.00 . A A . 7 VAL CG1 1 1 13 3713 1 1 7 VAL CG2 C -2.128 -1.275 -8.142 1.00 . A A . 7 VAL CG2 1 1 13 3714 1 1 7 VAL H H -2.380 -0.859 -4.948 1.00 . A A . 7 VAL H 1 1 13 3715 1 1 7 VAL HA H -3.188 1.007 -7.081 1.00 . A A . 7 VAL HA 1 1 13 3716 1 1 7 VAL HB H -3.692 -1.966 -6.882 1.00 . A A . 7 VAL HB 1 1 13 3717 1 1 7 VAL HG11 H -5.444 -1.479 -8.194 1.00 . A A . 7 VAL HG11 1 1 13 3718 1 1 7 VAL HG12 H -4.848 0.143 -8.553 1.00 . A A . 7 VAL HG12 1 1 13 3719 1 1 7 VAL HG13 H -4.233 -1.243 -9.454 1.00 . A A . 7 VAL HG13 1 1 13 3720 1 1 7 VAL HG21 H -1.607 -0.330 -8.188 1.00 . A A . 7 VAL HG21 1 1 13 3721 1 1 7 VAL HG22 H -1.539 -1.984 -7.578 1.00 . A A . 7 VAL HG22 1 1 13 3722 1 1 7 VAL HG23 H -2.281 -1.650 -9.143 1.00 . A A . 7 VAL HG23 1 1 13 3723 1 1 7 VAL N N -2.390 -0.043 -5.491 1.00 . A A . 7 VAL N 1 1 13 3724 1 1 7 VAL O O -5.480 1.302 -6.107 1.00 . A A . 7 VAL O 1 1 13 3725 1 1 8 VAL C C -6.574 0.613 -3.452 1.00 . A A . 8 VAL C 1 1 13 3726 1 1 8 VAL CA C -6.483 -0.605 -4.364 1.00 . A A . 8 VAL CA 1 1 13 3727 1 1 8 VAL CB C -6.733 -1.876 -3.531 1.00 . A A . 8 VAL CB 1 1 13 3728 1 1 8 VAL CG1 C -8.137 -1.863 -2.944 1.00 . A A . 8 VAL CG1 1 1 13 3729 1 1 8 VAL CG2 C -6.513 -3.120 -4.378 1.00 . A A . 8 VAL CG2 1 1 13 3730 1 1 8 VAL H H -4.604 -1.427 -4.887 1.00 . A A . 8 VAL H 1 1 13 3731 1 1 8 VAL HA H -7.254 -0.537 -5.118 1.00 . A A . 8 VAL HA 1 1 13 3732 1 1 8 VAL HB H -6.026 -1.892 -2.715 1.00 . A A . 8 VAL HB 1 1 13 3733 1 1 8 VAL HG11 H -8.855 -2.069 -3.724 1.00 . A A . 8 VAL HG11 1 1 13 3734 1 1 8 VAL HG12 H -8.213 -2.617 -2.175 1.00 . A A . 8 VAL HG12 1 1 13 3735 1 1 8 VAL HG13 H -8.339 -0.891 -2.518 1.00 . A A . 8 VAL HG13 1 1 13 3736 1 1 8 VAL HG21 H -7.045 -3.019 -5.312 1.00 . A A . 8 VAL HG21 1 1 13 3737 1 1 8 VAL HG22 H -5.458 -3.238 -4.575 1.00 . A A . 8 VAL HG22 1 1 13 3738 1 1 8 VAL HG23 H -6.879 -3.987 -3.847 1.00 . A A . 8 VAL HG23 1 1 13 3739 1 1 8 VAL N N -5.194 -0.659 -5.042 1.00 . A A . 8 VAL N 1 1 13 3740 1 1 8 VAL O O -7.516 1.401 -3.543 1.00 . A A . 8 VAL O 1 1 13 3741 1 1 9 VAL C C -4.824 3.079 -2.251 1.00 . A A . 9 VAL C 1 1 13 3742 1 1 9 VAL CA C -5.556 1.886 -1.645 1.00 . A A . 9 VAL CA 1 1 13 3743 1 1 9 VAL CB C -4.874 1.499 -0.319 1.00 . A A . 9 VAL CB 1 1 13 3744 1 1 9 VAL CG1 C -5.028 2.613 0.706 1.00 . A A . 9 VAL CG1 1 1 13 3745 1 1 9 VAL CG2 C -5.444 0.193 0.211 1.00 . A A . 9 VAL CG2 1 1 13 3746 1 1 9 VAL H H -4.866 0.101 -2.549 1.00 . A A . 9 VAL H 1 1 13 3747 1 1 9 VAL HA H -6.575 2.173 -1.431 1.00 . A A . 9 VAL HA 1 1 13 3748 1 1 9 VAL HB H -3.820 1.358 -0.508 1.00 . A A . 9 VAL HB 1 1 13 3749 1 1 9 VAL HG11 H -4.181 3.280 0.642 1.00 . A A . 9 VAL HG11 1 1 13 3750 1 1 9 VAL HG12 H -5.936 3.162 0.507 1.00 . A A . 9 VAL HG12 1 1 13 3751 1 1 9 VAL HG13 H -5.075 2.186 1.697 1.00 . A A . 9 VAL HG13 1 1 13 3752 1 1 9 VAL HG21 H -5.329 -0.580 -0.534 1.00 . A A . 9 VAL HG21 1 1 13 3753 1 1 9 VAL HG22 H -4.916 -0.091 1.110 1.00 . A A . 9 VAL HG22 1 1 13 3754 1 1 9 VAL HG23 H -6.493 0.322 0.436 1.00 . A A . 9 VAL HG23 1 1 13 3755 1 1 9 VAL N N -5.588 0.762 -2.573 1.00 . A A . 9 VAL N 1 1 13 3756 1 1 9 VAL O O -5.083 4.227 -1.893 1.00 . A A . 9 VAL O 1 1 13 3757 1 1 10 GLY C C -4.020 4.742 -4.687 1.00 . A A . 10 GLY C 1 1 13 3758 1 1 10 GLY CA C -3.152 3.857 -3.814 1.00 . A A . 10 GLY CA 1 1 13 3759 1 1 10 GLY H H -3.743 1.863 -3.418 1.00 . A A . 10 GLY H 1 1 13 3760 1 1 10 GLY HA2 H -2.688 4.466 -3.053 1.00 . A A . 10 GLY HA2 1 1 13 3761 1 1 10 GLY HA3 H -2.380 3.414 -4.427 1.00 . A A . 10 GLY HA3 1 1 13 3762 1 1 10 GLY N N -3.907 2.798 -3.172 1.00 . A A . 10 GLY N 1 1 13 3763 1 1 10 GLY O O -3.642 5.866 -5.014 1.00 . A A . 10 GLY O 1 1 13 3764 1 1 11 ALA C C -7.063 5.824 -5.062 1.00 . A A . 11 ALA C 1 1 13 3765 1 1 11 ALA CA C -6.112 4.983 -5.907 1.00 . A A . 11 ALA CA 1 1 13 3766 1 1 11 ALA CB C -6.897 4.038 -6.805 1.00 . A A . 11 ALA CB 1 1 13 3767 1 1 11 ALA H H -5.433 3.330 -4.774 1.00 . A A . 11 ALA H 1 1 13 3768 1 1 11 ALA HA H -5.531 5.640 -6.538 1.00 . A A . 11 ALA HA 1 1 13 3769 1 1 11 ALA HB1 H -6.406 3.964 -7.765 1.00 . A A . 11 ALA HB1 1 1 13 3770 1 1 11 ALA HB2 H -6.941 3.061 -6.347 1.00 . A A . 11 ALA HB2 1 1 13 3771 1 1 11 ALA HB3 H -7.898 4.419 -6.941 1.00 . A A . 11 ALA HB3 1 1 13 3772 1 1 11 ALA N N -5.188 4.232 -5.067 1.00 . A A . 11 ALA N 1 1 13 3773 1 1 11 ALA O O -7.333 6.981 -5.379 1.00 . A A . 11 ALA O 1 1 13 3774 1 1 12 GLY C C -8.950 5.092 -1.944 1.00 . A A . 12 GLY C 1 1 13 3775 1 1 12 GLY CA C -8.485 5.942 -3.110 1.00 . A A . 12 GLY CA 1 1 13 3776 1 1 12 GLY H H -7.317 4.308 -3.779 1.00 . A A . 12 GLY H 1 1 13 3777 1 1 12 GLY HA2 H -7.990 6.822 -2.725 1.00 . A A . 12 GLY HA2 1 1 13 3778 1 1 12 GLY HA3 H -9.347 6.248 -3.683 1.00 . A A . 12 GLY HA3 1 1 13 3779 1 1 12 GLY N N -7.569 5.233 -3.983 1.00 . A A . 12 GLY N 1 1 13 3780 1 1 12 GLY O O -9.025 5.566 -0.812 1.00 . A A . 12 GLY O 1 1 13 3781 1 1 13 GLY C C -10.987 2.190 -1.566 1.00 . A A . 13 GLY C 1 1 13 3782 1 1 13 GLY CA C -9.724 2.933 -1.178 1.00 . A A . 13 GLY CA 1 1 13 3783 1 1 13 GLY H H -9.186 3.507 -3.144 1.00 . A A . 13 GLY H 1 1 13 3784 1 1 13 GLY HA2 H -8.946 2.214 -0.969 1.00 . A A . 13 GLY HA2 1 1 13 3785 1 1 13 GLY HA3 H -9.918 3.508 -0.285 1.00 . A A . 13 GLY HA3 1 1 13 3786 1 1 13 GLY N N -9.265 3.831 -2.222 1.00 . A A . 13 GLY N 1 1 13 3787 1 1 13 GLY O O -12.094 2.629 -1.254 1.00 . A A . 13 GLY O 1 1 13 3788 1 1 14 VAL C C -12.417 -0.685 -1.573 1.00 . A A . 14 VAL C 1 1 13 3789 1 1 14 VAL CA C -11.959 0.257 -2.681 1.00 . A A . 14 VAL CA 1 1 13 3790 1 1 14 VAL CB C -11.616 -0.571 -3.934 1.00 . A A . 14 VAL CB 1 1 13 3791 1 1 14 VAL CG1 C -12.824 -1.378 -4.388 1.00 . A A . 14 VAL CG1 1 1 13 3792 1 1 14 VAL CG2 C -11.120 0.335 -5.051 1.00 . A A . 14 VAL CG2 1 1 13 3793 1 1 14 VAL H H -9.915 0.764 -2.468 1.00 . A A . 14 VAL H 1 1 13 3794 1 1 14 VAL HA H -12.769 0.928 -2.929 1.00 . A A . 14 VAL HA 1 1 13 3795 1 1 14 VAL HB H -10.825 -1.261 -3.680 1.00 . A A . 14 VAL HB 1 1 13 3796 1 1 14 VAL HG11 H -13.034 -2.149 -3.661 1.00 . A A . 14 VAL HG11 1 1 13 3797 1 1 14 VAL HG12 H -13.679 -0.725 -4.480 1.00 . A A . 14 VAL HG12 1 1 13 3798 1 1 14 VAL HG13 H -12.613 -1.833 -5.344 1.00 . A A . 14 VAL HG13 1 1 13 3799 1 1 14 VAL HG21 H -11.803 1.162 -5.174 1.00 . A A . 14 VAL HG21 1 1 13 3800 1 1 14 VAL HG22 H -10.140 0.711 -4.800 1.00 . A A . 14 VAL HG22 1 1 13 3801 1 1 14 VAL HG23 H -11.065 -0.226 -5.973 1.00 . A A . 14 VAL HG23 1 1 13 3802 1 1 14 VAL N N -10.822 1.062 -2.250 1.00 . A A . 14 VAL N 1 1 13 3803 1 1 14 VAL O O -13.614 -0.875 -1.362 1.00 . A A . 14 VAL O 1 1 13 3804 1 1 15 GLY C C -11.381 -3.615 -0.100 1.00 . A A . 15 GLY C 1 1 13 3805 1 1 15 GLY CA C -11.781 -2.187 0.212 1.00 . A A . 15 GLY CA 1 1 13 3806 1 1 15 GLY H H -10.518 -1.082 -1.080 1.00 . A A . 15 GLY H 1 1 13 3807 1 1 15 GLY HA2 H -11.268 -1.867 1.107 1.00 . A A . 15 GLY HA2 1 1 13 3808 1 1 15 GLY HA3 H -12.846 -2.153 0.388 1.00 . A A . 15 GLY HA3 1 1 13 3809 1 1 15 GLY N N -11.456 -1.272 -0.867 1.00 . A A . 15 GLY N 1 1 13 3810 1 1 15 GLY O O -11.899 -4.558 0.500 1.00 . A A . 15 GLY O 1 1 13 3811 1 1 16 LYS C C -8.898 -5.594 -0.488 1.00 . A A . 16 LYS C 1 1 13 3812 1 1 16 LYS CA C -9.989 -5.102 -1.433 1.00 . A A . 16 LYS CA 1 1 13 3813 1 1 16 LYS CB C -9.460 -5.074 -2.869 1.00 . A A . 16 LYS CB 1 1 13 3814 1 1 16 LYS CD C -11.758 -5.352 -3.843 1.00 . A A . 16 LYS CD 1 1 13 3815 1 1 16 LYS CE C -11.518 -6.814 -4.185 1.00 . A A . 16 LYS CE 1 1 13 3816 1 1 16 LYS CG C -10.467 -4.552 -3.879 1.00 . A A . 16 LYS CG 1 1 13 3817 1 1 16 LYS H H -10.083 -2.987 -1.484 1.00 . A A . 16 LYS H 1 1 13 3818 1 1 16 LYS HA H -10.827 -5.780 -1.381 1.00 . A A . 16 LYS HA 1 1 13 3819 1 1 16 LYS HB2 H -8.585 -4.441 -2.905 1.00 . A A . 16 LYS HB2 1 1 13 3820 1 1 16 LYS HB3 H -9.180 -6.077 -3.156 1.00 . A A . 16 LYS HB3 1 1 13 3821 1 1 16 LYS HD2 H -12.182 -5.292 -2.851 1.00 . A A . 16 LYS HD2 1 1 13 3822 1 1 16 LYS HD3 H -12.452 -4.933 -4.558 1.00 . A A . 16 LYS HD3 1 1 13 3823 1 1 16 LYS HE2 H -10.791 -7.217 -3.496 1.00 . A A . 16 LYS HE2 1 1 13 3824 1 1 16 LYS HE3 H -12.448 -7.353 -4.081 1.00 . A A . 16 LYS HE3 1 1 13 3825 1 1 16 LYS HG2 H -10.690 -3.520 -3.652 1.00 . A A . 16 LYS HG2 1 1 13 3826 1 1 16 LYS HG3 H -10.039 -4.620 -4.869 1.00 . A A . 16 LYS HG3 1 1 13 3827 1 1 16 LYS HZ1 H -11.708 -6.614 -6.256 1.00 . A A . 16 LYS HZ1 1 1 13 3828 1 1 16 LYS HZ2 H -10.847 -7.990 -5.777 1.00 . A A . 16 LYS HZ2 1 1 13 3829 1 1 16 LYS HZ3 H -10.118 -6.466 -5.696 1.00 . A A . 16 LYS HZ3 1 1 13 3830 1 1 16 LYS N N -10.458 -3.778 -1.042 1.00 . A A . 16 LYS N 1 1 13 3831 1 1 16 LYS NZ N -11.013 -6.982 -5.576 1.00 . A A . 16 LYS NZ 1 1 13 3832 1 1 16 LYS O O -8.979 -6.699 0.047 1.00 . A A . 16 LYS O 1 1 13 3833 1 1 17 SER C C -7.282 -5.563 1.961 1.00 . A A . 17 SER C 1 1 13 3834 1 1 17 SER CA C -6.770 -5.118 0.595 1.00 . A A . 17 SER CA 1 1 13 3835 1 1 17 SER CB C -5.821 -3.929 0.755 1.00 . A A . 17 SER CB 1 1 13 3836 1 1 17 SER H H -7.871 -3.897 -0.740 1.00 . A A . 17 SER H 1 1 13 3837 1 1 17 SER HA H -6.234 -5.937 0.140 1.00 . A A . 17 SER HA 1 1 13 3838 1 1 17 SER HB2 H -5.115 -3.922 -0.061 1.00 . A A . 17 SER HB2 1 1 13 3839 1 1 17 SER HB3 H -6.392 -3.012 0.744 1.00 . A A . 17 SER HB3 1 1 13 3840 1 1 17 SER HG H -5.311 -3.241 2.517 1.00 . A A . 17 SER HG 1 1 13 3841 1 1 17 SER N N -7.879 -4.765 -0.285 1.00 . A A . 17 SER N 1 1 13 3842 1 1 17 SER O O -6.657 -6.383 2.634 1.00 . A A . 17 SER O 1 1 13 3843 1 1 17 SER OG O -5.107 -4.008 1.977 1.00 . A A . 17 SER OG 1 1 13 3844 1 1 18 HIS C C -9.154 -6.868 3.806 1.00 . A A . 18 HIS C 1 1 13 3845 1 1 18 HIS CA C -9.021 -5.356 3.652 1.00 . A A . 18 HIS CA 1 1 13 3846 1 1 18 HIS CB C -10.393 -4.694 3.792 1.00 . A A . 18 HIS CB 1 1 13 3847 1 1 18 HIS CD2 C -10.862 -2.495 5.084 1.00 . A A . 18 HIS CD2 1 1 13 3848 1 1 18 HIS CE1 C -9.752 -1.118 3.787 1.00 . A A . 18 HIS CE1 1 1 13 3849 1 1 18 HIS CG C -10.323 -3.226 4.081 1.00 . A A . 18 HIS CG 1 1 13 3850 1 1 18 HIS H H -8.875 -4.368 1.785 1.00 . A A . 18 HIS H 1 1 13 3851 1 1 18 HIS HA H -8.371 -4.983 4.429 1.00 . A A . 18 HIS HA 1 1 13 3852 1 1 18 HIS HB2 H -10.944 -4.825 2.873 1.00 . A A . 18 HIS HB2 1 1 13 3853 1 1 18 HIS HB3 H -10.932 -5.167 4.600 1.00 . A A . 18 HIS HB3 1 1 13 3854 1 1 18 HIS HD1 H -9.134 -2.560 2.474 1.00 . A A . 18 HIS HD1 1 1 13 3855 1 1 18 HIS HD2 H -11.470 -2.869 5.896 1.00 . A A . 18 HIS HD2 1 1 13 3856 1 1 18 HIS HE1 H -9.318 -0.220 3.376 1.00 . A A . 18 HIS HE1 1 1 13 3857 1 1 18 HIS N N -8.424 -5.015 2.366 1.00 . A A . 18 HIS N 1 1 13 3858 1 1 18 HIS ND1 N -9.635 -2.335 3.285 1.00 . A A . 18 HIS ND1 1 1 13 3859 1 1 18 HIS NE2 N -10.493 -1.188 4.879 1.00 . A A . 18 HIS NE2 1 1 13 3860 1 1 18 HIS O O -9.098 -7.396 4.917 1.00 . A A . 18 HIS O 1 1 13 3861 1 1 19 VAL C C -8.143 -9.689 3.000 1.00 . A A . 19 VAL C 1 1 13 3862 1 1 19 VAL CA C -9.473 -9.010 2.695 1.00 . A A . 19 VAL CA 1 1 13 3863 1 1 19 VAL CB C -10.007 -9.532 1.348 1.00 . A A . 19 VAL CB 1 1 13 3864 1 1 19 VAL CG1 C -10.195 -11.040 1.396 1.00 . A A . 19 VAL CG1 1 1 13 3865 1 1 19 VAL CG2 C -11.310 -8.835 0.986 1.00 . A A . 19 VAL CG2 1 1 13 3866 1 1 19 VAL H H -9.369 -7.081 1.830 1.00 . A A . 19 VAL H 1 1 13 3867 1 1 19 VAL HA H -10.184 -9.271 3.466 1.00 . A A . 19 VAL HA 1 1 13 3868 1 1 19 VAL HB H -9.278 -9.306 0.584 1.00 . A A . 19 VAL HB 1 1 13 3869 1 1 19 VAL HG11 H -10.747 -11.306 2.286 1.00 . A A . 19 VAL HG11 1 1 13 3870 1 1 19 VAL HG12 H -10.741 -11.364 0.522 1.00 . A A . 19 VAL HG12 1 1 13 3871 1 1 19 VAL HG13 H -9.228 -11.523 1.416 1.00 . A A . 19 VAL HG13 1 1 13 3872 1 1 19 VAL HG21 H -12.082 -9.131 1.680 1.00 . A A . 19 VAL HG21 1 1 13 3873 1 1 19 VAL HG22 H -11.171 -7.766 1.035 1.00 . A A . 19 VAL HG22 1 1 13 3874 1 1 19 VAL HG23 H -11.601 -9.114 -0.017 1.00 . A A . 19 VAL HG23 1 1 13 3875 1 1 19 VAL N N -9.332 -7.559 2.685 1.00 . A A . 19 VAL N 1 1 13 3876 1 1 19 VAL O O -8.069 -10.580 3.846 1.00 . A A . 19 VAL O 1 1 13 3877 1 1 20 TRP C C -4.957 -8.993 3.489 1.00 . A A . 20 TRP C 1 1 13 3878 1 1 20 TRP CA C -5.765 -9.829 2.502 1.00 . A A . 20 TRP CA 1 1 13 3879 1 1 20 TRP CB C -5.025 -9.921 1.167 1.00 . A A . 20 TRP CB 1 1 13 3880 1 1 20 TRP CD1 C -6.647 -10.014 -0.815 1.00 . A A . 20 TRP CD1 1 1 13 3881 1 1 20 TRP CD2 C -5.855 -12.010 -0.178 1.00 . A A . 20 TRP CD2 1 1 13 3882 1 1 20 TRP CE2 C -6.728 -12.199 -1.268 1.00 . A A . 20 TRP CE2 1 1 13 3883 1 1 20 TRP CE3 C -5.235 -13.126 0.390 1.00 . A A . 20 TRP CE3 1 1 13 3884 1 1 20 TRP CG C -5.817 -10.605 0.094 1.00 . A A . 20 TRP CG 1 1 13 3885 1 1 20 TRP CH2 C -6.375 -14.535 -1.221 1.00 . A A . 20 TRP CH2 1 1 13 3886 1 1 20 TRP CZ2 C -6.996 -13.459 -1.797 1.00 . A A . 20 TRP CZ2 1 1 13 3887 1 1 20 TRP CZ3 C -5.502 -14.376 -0.136 1.00 . A A . 20 TRP CZ3 1 1 13 3888 1 1 20 TRP H H -7.217 -8.548 1.645 1.00 . A A . 20 TRP H 1 1 13 3889 1 1 20 TRP HA H -5.886 -10.824 2.906 1.00 . A A . 20 TRP HA 1 1 13 3890 1 1 20 TRP HB2 H -4.790 -8.925 0.823 1.00 . A A . 20 TRP HB2 1 1 13 3891 1 1 20 TRP HB3 H -4.108 -10.475 1.310 1.00 . A A . 20 TRP HB3 1 1 13 3892 1 1 20 TRP HD1 H -6.834 -8.953 -0.867 1.00 . A A . 20 TRP HD1 1 1 13 3893 1 1 20 TRP HE1 H -7.826 -10.792 -2.370 1.00 . A A . 20 TRP HE1 1 1 13 3894 1 1 20 TRP HE3 H -4.559 -13.025 1.226 1.00 . A A . 20 TRP HE3 1 1 13 3895 1 1 20 TRP HH2 H -6.555 -15.529 -1.599 1.00 . A A . 20 TRP HH2 1 1 13 3896 1 1 20 TRP HZ2 H -7.666 -13.598 -2.633 1.00 . A A . 20 TRP HZ2 1 1 13 3897 1 1 20 TRP HZ3 H -5.033 -15.251 0.290 1.00 . A A . 20 TRP HZ3 1 1 13 3898 1 1 20 TRP N N -7.095 -9.262 2.306 1.00 . A A . 20 TRP N 1 1 13 3899 1 1 20 TRP NE1 N -7.199 -10.967 -1.637 1.00 . A A . 20 TRP NE1 1 1 13 3900 1 1 20 TRP O O -4.657 -9.440 4.596 1.00 . A A . 20 TRP O 1 1 14 3901 1 1 1 MET C C 3.588 -0.996 -1.550 1.00 . A A . 1 MET C 1 1 14 3902 1 1 1 MET CA C 2.782 0.269 -1.826 1.00 . A A . 1 MET CA 1 1 14 3903 1 1 1 MET CB C 3.181 1.367 -0.837 1.00 . A A . 1 MET CB 1 1 14 3904 1 1 1 MET CE C 5.973 2.724 1.207 1.00 . A A . 1 MET CE 1 1 14 3905 1 1 1 MET CG C 4.592 1.891 -1.047 1.00 . A A . 1 MET CG 1 1 14 3906 1 1 1 MET H1 H 0.834 0.409 -1.011 1.00 . A A . 1 MET H1 1 1 14 3907 1 1 1 MET HA H 2.996 0.606 -2.829 1.00 . A A . 1 MET HA 1 1 14 3908 1 1 1 MET HB2 H 2.494 2.194 -0.939 1.00 . A A . 1 MET HB2 1 1 14 3909 1 1 1 MET HB3 H 3.112 0.974 0.166 1.00 . A A . 1 MET HB3 1 1 14 3910 1 1 1 MET HE1 H 6.227 3.568 0.582 1.00 . A A . 1 MET HE1 1 1 14 3911 1 1 1 MET HE2 H 5.056 2.933 1.738 1.00 . A A . 1 MET HE2 1 1 14 3912 1 1 1 MET HE3 H 6.768 2.548 1.916 1.00 . A A . 1 MET HE3 1 1 14 3913 1 1 1 MET HG2 H 4.933 1.589 -2.026 1.00 . A A . 1 MET HG2 1 1 14 3914 1 1 1 MET HG3 H 4.572 2.969 -0.992 1.00 . A A . 1 MET HG3 1 1 14 3915 1 1 1 MET N N 1.351 0.004 -1.738 1.00 . A A . 1 MET N 1 1 14 3916 1 1 1 MET O O 4.809 -1.015 -1.709 1.00 . A A . 1 MET O 1 1 14 3917 1 1 1 MET SD S 5.754 1.270 0.184 1.00 . A A . 1 MET SD 1 1 14 3918 1 1 2 THR C C 3.276 -4.351 -1.928 1.00 . A A . 2 THR C 1 1 14 3919 1 1 2 THR CA C 3.548 -3.323 -0.837 1.00 . A A . 2 THR CA 1 1 14 3920 1 1 2 THR CB C 3.078 -3.890 0.516 1.00 . A A . 2 THR CB 1 1 14 3921 1 1 2 THR CG2 C 1.584 -4.174 0.494 1.00 . A A . 2 THR CG2 1 1 14 3922 1 1 2 THR H H 1.926 -1.977 -1.028 1.00 . A A . 2 THR H 1 1 14 3923 1 1 2 THR HA H 4.612 -3.146 -0.779 1.00 . A A . 2 THR HA 1 1 14 3924 1 1 2 THR HB H 3.279 -3.159 1.286 1.00 . A A . 2 THR HB 1 1 14 3925 1 1 2 THR HG1 H 3.485 -5.448 1.655 1.00 . A A . 2 THR HG1 1 1 14 3926 1 1 2 THR HG21 H 1.421 -5.240 0.436 1.00 . A A . 2 THR HG21 1 1 14 3927 1 1 2 THR HG22 H 1.139 -3.695 -0.365 1.00 . A A . 2 THR HG22 1 1 14 3928 1 1 2 THR HG23 H 1.131 -3.790 1.396 1.00 . A A . 2 THR HG23 1 1 14 3929 1 1 2 THR N N 2.897 -2.054 -1.136 1.00 . A A . 2 THR N 1 1 14 3930 1 1 2 THR O O 4.094 -5.236 -2.178 1.00 . A A . 2 THR O 1 1 14 3931 1 1 2 THR OG1 O 3.793 -5.094 0.817 1.00 . A A . 2 THR OG1 1 1 14 3932 1 1 3 GLU C C 0.462 -4.686 -4.331 1.00 . A A . 3 GLU C 1 1 14 3933 1 1 3 GLU CA C 1.742 -5.149 -3.641 1.00 . A A . 3 GLU CA 1 1 14 3934 1 1 3 GLU CB C 1.552 -6.561 -3.083 1.00 . A A . 3 GLU CB 1 1 14 3935 1 1 3 GLU CD C 0.876 -8.947 -3.565 1.00 . A A . 3 GLU CD 1 1 14 3936 1 1 3 GLU CG C 0.857 -7.508 -4.046 1.00 . A A . 3 GLU CG 1 1 14 3937 1 1 3 GLU H H 1.510 -3.503 -2.331 1.00 . A A . 3 GLU H 1 1 14 3938 1 1 3 GLU HA H 2.542 -5.164 -4.367 1.00 . A A . 3 GLU HA 1 1 14 3939 1 1 3 GLU HB2 H 2.521 -6.973 -2.840 1.00 . A A . 3 GLU HB2 1 1 14 3940 1 1 3 GLU HB3 H 0.961 -6.501 -2.181 1.00 . A A . 3 GLU HB3 1 1 14 3941 1 1 3 GLU HG2 H -0.171 -7.197 -4.159 1.00 . A A . 3 GLU HG2 1 1 14 3942 1 1 3 GLU HG3 H 1.355 -7.457 -5.003 1.00 . A A . 3 GLU HG3 1 1 14 3943 1 1 3 GLU N N 2.121 -4.229 -2.576 1.00 . A A . 3 GLU N 1 1 14 3944 1 1 3 GLU O O 0.474 -4.323 -5.507 1.00 . A A . 3 GLU O 1 1 14 3945 1 1 3 GLU OE1 O 1.976 -9.534 -3.497 1.00 . A A . 3 GLU OE1 1 1 14 3946 1 1 3 GLU OE2 O -0.208 -9.485 -3.258 1.00 . A A . 3 GLU OE2 1 1 14 3947 1 1 4 TYR C C -2.381 -2.969 -3.511 1.00 . A A . 4 TYR C 1 1 14 3948 1 1 4 TYR CA C -1.930 -4.289 -4.129 1.00 . A A . 4 TYR CA 1 1 14 3949 1 1 4 TYR CB C -2.984 -5.369 -3.877 1.00 . A A . 4 TYR CB 1 1 14 3950 1 1 4 TYR CD1 C -3.141 -5.301 -1.358 1.00 . A A . 4 TYR CD1 1 1 14 3951 1 1 4 TYR CD2 C -2.495 -7.350 -2.390 1.00 . A A . 4 TYR CD2 1 1 14 3952 1 1 4 TYR CE1 C -3.038 -5.891 -0.112 1.00 . A A . 4 TYR CE1 1 1 14 3953 1 1 4 TYR CE2 C -2.391 -7.948 -1.149 1.00 . A A . 4 TYR CE2 1 1 14 3954 1 1 4 TYR CG C -2.871 -6.019 -2.516 1.00 . A A . 4 TYR CG 1 1 14 3955 1 1 4 TYR CZ C -2.663 -7.214 -0.013 1.00 . A A . 4 TYR CZ 1 1 14 3956 1 1 4 TYR H H -0.587 -5.004 -2.659 1.00 . A A . 4 TYR H 1 1 14 3957 1 1 4 TYR HA H -1.816 -4.153 -5.195 1.00 . A A . 4 TYR HA 1 1 14 3958 1 1 4 TYR HB2 H -3.966 -4.929 -3.953 1.00 . A A . 4 TYR HB2 1 1 14 3959 1 1 4 TYR HB3 H -2.882 -6.143 -4.624 1.00 . A A . 4 TYR HB3 1 1 14 3960 1 1 4 TYR HD1 H -3.435 -4.265 -1.439 1.00 . A A . 4 TYR HD1 1 1 14 3961 1 1 4 TYR HD2 H -2.282 -7.923 -3.281 1.00 . A A . 4 TYR HD2 1 1 14 3962 1 1 4 TYR HE1 H -3.252 -5.316 0.777 1.00 . A A . 4 TYR HE1 1 1 14 3963 1 1 4 TYR HE2 H -2.097 -8.985 -1.070 1.00 . A A . 4 TYR HE2 1 1 14 3964 1 1 4 TYR HH H -1.727 -8.278 1.287 1.00 . A A . 4 TYR HH 1 1 14 3965 1 1 4 TYR N N -0.641 -4.704 -3.590 1.00 . A A . 4 TYR N 1 1 14 3966 1 1 4 TYR O O -3.198 -2.248 -4.083 1.00 . A A . 4 TYR O 1 1 14 3967 1 1 4 TYR OH O -2.561 -7.806 1.225 1.00 . A A . 4 TYR OH 1 1 14 3968 1 1 5 LYS C C -1.815 -0.206 -2.475 1.00 . A A . 5 LYS C 1 1 14 3969 1 1 5 LYS CA C -2.184 -1.426 -1.638 1.00 . A A . 5 LYS CA 1 1 14 3970 1 1 5 LYS CB C -1.469 -1.366 -0.286 1.00 . A A . 5 LYS CB 1 1 14 3971 1 1 5 LYS CD C -1.213 -2.744 1.798 1.00 . A A . 5 LYS CD 1 1 14 3972 1 1 5 LYS CE C -1.772 -2.756 3.212 1.00 . A A . 5 LYS CE 1 1 14 3973 1 1 5 LYS CG C -2.191 -2.118 0.818 1.00 . A A . 5 LYS CG 1 1 14 3974 1 1 5 LYS H H -1.195 -3.275 -1.930 1.00 . A A . 5 LYS H 1 1 14 3975 1 1 5 LYS HA H -3.251 -1.425 -1.472 1.00 . A A . 5 LYS HA 1 1 14 3976 1 1 5 LYS HB2 H -0.481 -1.789 -0.396 1.00 . A A . 5 LYS HB2 1 1 14 3977 1 1 5 LYS HB3 H -1.376 -0.331 0.012 1.00 . A A . 5 LYS HB3 1 1 14 3978 1 1 5 LYS HD2 H -1.011 -3.760 1.494 1.00 . A A . 5 LYS HD2 1 1 14 3979 1 1 5 LYS HD3 H -0.294 -2.174 1.789 1.00 . A A . 5 LYS HD3 1 1 14 3980 1 1 5 LYS HE2 H -1.663 -1.771 3.638 1.00 . A A . 5 LYS HE2 1 1 14 3981 1 1 5 LYS HE3 H -2.820 -3.016 3.168 1.00 . A A . 5 LYS HE3 1 1 14 3982 1 1 5 LYS HG2 H -2.829 -1.430 1.352 1.00 . A A . 5 LYS HG2 1 1 14 3983 1 1 5 LYS HG3 H -2.792 -2.900 0.375 1.00 . A A . 5 LYS HG3 1 1 14 3984 1 1 5 LYS HZ1 H -0.150 -3.994 3.658 1.00 . A A . 5 LYS HZ1 1 1 14 3985 1 1 5 LYS HZ2 H -1.639 -4.600 4.184 1.00 . A A . 5 LYS HZ2 1 1 14 3986 1 1 5 LYS HZ3 H -0.900 -3.330 5.022 1.00 . A A . 5 LYS HZ3 1 1 14 3987 1 1 5 LYS N N -1.841 -2.659 -2.337 1.00 . A A . 5 LYS N 1 1 14 3988 1 1 5 LYS NZ N -1.065 -3.739 4.080 1.00 . A A . 5 LYS NZ 1 1 14 3989 1 1 5 LYS O O -2.312 0.896 -2.238 1.00 . A A . 5 LYS O 1 1 14 3990 1 1 6 LEU C C -1.542 0.944 -5.419 1.00 . A A . 6 LEU C 1 1 14 3991 1 1 6 LEU CA C -0.508 0.675 -4.330 1.00 . A A . 6 LEU CA 1 1 14 3992 1 1 6 LEU CB C 0.841 0.334 -4.966 1.00 . A A . 6 LEU CB 1 1 14 3993 1 1 6 LEU CD1 C 0.832 -0.587 -7.297 1.00 . A A . 6 LEU CD1 1 1 14 3994 1 1 6 LEU CD2 C 2.125 -1.752 -5.501 1.00 . A A . 6 LEU CD2 1 1 14 3995 1 1 6 LEU CG C 0.880 -0.935 -5.818 1.00 . A A . 6 LEU CG 1 1 14 3996 1 1 6 LEU H H -0.581 -1.309 -3.596 1.00 . A A . 6 LEU H 1 1 14 3997 1 1 6 LEU HA H -0.398 1.563 -3.727 1.00 . A A . 6 LEU HA 1 1 14 3998 1 1 6 LEU HB2 H 1.130 1.163 -5.594 1.00 . A A . 6 LEU HB2 1 1 14 3999 1 1 6 LEU HB3 H 1.563 0.221 -4.169 1.00 . A A . 6 LEU HB3 1 1 14 4000 1 1 6 LEU HD11 H 0.531 -1.456 -7.862 1.00 . A A . 6 LEU HD11 1 1 14 4001 1 1 6 LEU HD12 H 1.810 -0.265 -7.624 1.00 . A A . 6 LEU HD12 1 1 14 4002 1 1 6 LEU HD13 H 0.120 0.210 -7.456 1.00 . A A . 6 LEU HD13 1 1 14 4003 1 1 6 LEU HD21 H 2.971 -1.091 -5.389 1.00 . A A . 6 LEU HD21 1 1 14 4004 1 1 6 LEU HD22 H 2.314 -2.446 -6.307 1.00 . A A . 6 LEU HD22 1 1 14 4005 1 1 6 LEU HD23 H 1.971 -2.301 -4.583 1.00 . A A . 6 LEU HD23 1 1 14 4006 1 1 6 LEU HG H 0.014 -1.541 -5.590 1.00 . A A . 6 LEU HG 1 1 14 4007 1 1 6 LEU N N -0.942 -0.409 -3.456 1.00 . A A . 6 LEU N 1 1 14 4008 1 1 6 LEU O O -1.519 1.991 -6.066 1.00 . A A . 6 LEU O 1 1 14 4009 1 1 7 VAL C C -4.870 0.254 -5.973 1.00 . A A . 7 VAL C 1 1 14 4010 1 1 7 VAL CA C -3.495 0.129 -6.621 1.00 . A A . 7 VAL CA 1 1 14 4011 1 1 7 VAL CB C -3.502 -1.070 -7.588 1.00 . A A . 7 VAL CB 1 1 14 4012 1 1 7 VAL CG1 C -4.620 -0.925 -8.610 1.00 . A A . 7 VAL CG1 1 1 14 4013 1 1 7 VAL CG2 C -2.153 -1.206 -8.277 1.00 . A A . 7 VAL CG2 1 1 14 4014 1 1 7 VAL H H -2.416 -0.819 -5.066 1.00 . A A . 7 VAL H 1 1 14 4015 1 1 7 VAL HA H -3.294 1.024 -7.192 1.00 . A A . 7 VAL HA 1 1 14 4016 1 1 7 VAL HB H -3.682 -1.967 -7.015 1.00 . A A . 7 VAL HB 1 1 14 4017 1 1 7 VAL HG11 H -5.478 -1.497 -8.287 1.00 . A A . 7 VAL HG11 1 1 14 4018 1 1 7 VAL HG12 H -4.893 0.116 -8.700 1.00 . A A . 7 VAL HG12 1 1 14 4019 1 1 7 VAL HG13 H -4.281 -1.294 -9.567 1.00 . A A . 7 VAL HG13 1 1 14 4020 1 1 7 VAL HG21 H -1.673 -0.239 -8.325 1.00 . A A . 7 VAL HG21 1 1 14 4021 1 1 7 VAL HG22 H -1.531 -1.889 -7.718 1.00 . A A . 7 VAL HG22 1 1 14 4022 1 1 7 VAL HG23 H -2.296 -1.586 -9.278 1.00 . A A . 7 VAL HG23 1 1 14 4023 1 1 7 VAL N N -2.450 -0.007 -5.614 1.00 . A A . 7 VAL N 1 1 14 4024 1 1 7 VAL O O -5.594 1.221 -6.211 1.00 . A A . 7 VAL O 1 1 14 4025 1 1 8 VAL C C -6.633 0.462 -3.528 1.00 . A A . 8 VAL C 1 1 14 4026 1 1 8 VAL CA C -6.510 -0.731 -4.469 1.00 . A A . 8 VAL CA 1 1 14 4027 1 1 8 VAL CB C -6.719 -2.029 -3.666 1.00 . A A . 8 VAL CB 1 1 14 4028 1 1 8 VAL CG1 C -8.066 -2.009 -2.960 1.00 . A A . 8 VAL CG1 1 1 14 4029 1 1 8 VAL CG2 C -6.601 -3.242 -4.575 1.00 . A A . 8 VAL CG2 1 1 14 4030 1 1 8 VAL H H -4.602 -1.474 -5.004 1.00 . A A . 8 VAL H 1 1 14 4031 1 1 8 VAL HA H -7.287 -0.667 -5.218 1.00 . A A . 8 VAL HA 1 1 14 4032 1 1 8 VAL HB H -5.945 -2.091 -2.915 1.00 . A A . 8 VAL HB 1 1 14 4033 1 1 8 VAL HG11 H -8.731 -1.330 -3.473 1.00 . A A . 8 VAL HG11 1 1 14 4034 1 1 8 VAL HG12 H -8.490 -3.003 -2.966 1.00 . A A . 8 VAL HG12 1 1 14 4035 1 1 8 VAL HG13 H -7.933 -1.680 -1.940 1.00 . A A . 8 VAL HG13 1 1 14 4036 1 1 8 VAL HG21 H -5.830 -3.899 -4.202 1.00 . A A . 8 VAL HG21 1 1 14 4037 1 1 8 VAL HG22 H -7.544 -3.768 -4.596 1.00 . A A . 8 VAL HG22 1 1 14 4038 1 1 8 VAL HG23 H -6.347 -2.921 -5.575 1.00 . A A . 8 VAL HG23 1 1 14 4039 1 1 8 VAL N N -5.223 -0.731 -5.153 1.00 . A A . 8 VAL N 1 1 14 4040 1 1 8 VAL O O -7.582 1.241 -3.616 1.00 . A A . 8 VAL O 1 1 14 4041 1 1 9 VAL C C -5.007 2.941 -2.260 1.00 . A A . 9 VAL C 1 1 14 4042 1 1 9 VAL CA C -5.663 1.698 -1.669 1.00 . A A . 9 VAL CA 1 1 14 4043 1 1 9 VAL CB C -4.929 1.311 -0.371 1.00 . A A . 9 VAL CB 1 1 14 4044 1 1 9 VAL CG1 C -5.118 2.384 0.690 1.00 . A A . 9 VAL CG1 1 1 14 4045 1 1 9 VAL CG2 C -5.414 -0.040 0.132 1.00 . A A . 9 VAL CG2 1 1 14 4046 1 1 9 VAL H H -4.935 -0.054 -2.606 1.00 . A A . 9 VAL H 1 1 14 4047 1 1 9 VAL HA H -6.690 1.928 -1.421 1.00 . A A . 9 VAL HA 1 1 14 4048 1 1 9 VAL HB H -3.874 1.233 -0.589 1.00 . A A . 9 VAL HB 1 1 14 4049 1 1 9 VAL HG11 H -4.453 3.210 0.489 1.00 . A A . 9 VAL HG11 1 1 14 4050 1 1 9 VAL HG12 H -6.141 2.731 0.674 1.00 . A A . 9 VAL HG12 1 1 14 4051 1 1 9 VAL HG13 H -4.893 1.971 1.663 1.00 . A A . 9 VAL HG13 1 1 14 4052 1 1 9 VAL HG21 H -6.484 -0.010 0.272 1.00 . A A . 9 VAL HG21 1 1 14 4053 1 1 9 VAL HG22 H -5.166 -0.803 -0.592 1.00 . A A . 9 VAL HG22 1 1 14 4054 1 1 9 VAL HG23 H -4.934 -0.268 1.073 1.00 . A A . 9 VAL HG23 1 1 14 4055 1 1 9 VAL N N -5.666 0.599 -2.626 1.00 . A A . 9 VAL N 1 1 14 4056 1 1 9 VAL O O -5.308 4.065 -1.859 1.00 . A A . 9 VAL O 1 1 14 4057 1 1 10 GLY C C -4.362 4.719 -4.655 1.00 . A A . 10 GLY C 1 1 14 4058 1 1 10 GLY CA C -3.424 3.843 -3.849 1.00 . A A . 10 GLY CA 1 1 14 4059 1 1 10 GLY H H -3.909 1.813 -3.496 1.00 . A A . 10 GLY H 1 1 14 4060 1 1 10 GLY HA2 H -2.955 4.444 -3.084 1.00 . A A . 10 GLY HA2 1 1 14 4061 1 1 10 GLY HA3 H -2.660 3.454 -4.506 1.00 . A A . 10 GLY HA3 1 1 14 4062 1 1 10 GLY N N -4.109 2.731 -3.217 1.00 . A A . 10 GLY N 1 1 14 4063 1 1 10 GLY O O -4.040 5.867 -4.962 1.00 . A A . 10 GLY O 1 1 14 4064 1 1 11 ALA C C -7.494 5.645 -4.862 1.00 . A A . 11 ALA C 1 1 14 4065 1 1 11 ALA CA C -6.513 4.917 -5.775 1.00 . A A . 11 ALA CA 1 1 14 4066 1 1 11 ALA CB C -7.258 3.980 -6.713 1.00 . A A . 11 ALA CB 1 1 14 4067 1 1 11 ALA H H -5.724 3.258 -4.725 1.00 . A A . 11 ALA H 1 1 14 4068 1 1 11 ALA HA H -5.988 5.646 -6.376 1.00 . A A . 11 ALA HA 1 1 14 4069 1 1 11 ALA HB1 H -6.898 4.121 -7.722 1.00 . A A . 11 ALA HB1 1 1 14 4070 1 1 11 ALA HB2 H -7.088 2.957 -6.410 1.00 . A A . 11 ALA HB2 1 1 14 4071 1 1 11 ALA HB3 H -8.315 4.197 -6.674 1.00 . A A . 11 ALA HB3 1 1 14 4072 1 1 11 ALA N N -5.525 4.177 -5.000 1.00 . A A . 11 ALA N 1 1 14 4073 1 1 11 ALA O O -8.090 6.649 -5.250 1.00 . A A . 11 ALA O 1 1 14 4074 1 1 12 GLY C C -9.153 4.741 -1.724 1.00 . A A . 12 GLY C 1 1 14 4075 1 1 12 GLY CA C -8.569 5.744 -2.699 1.00 . A A . 12 GLY CA 1 1 14 4076 1 1 12 GLY H H -7.156 4.328 -3.393 1.00 . A A . 12 GLY H 1 1 14 4077 1 1 12 GLY HA2 H -8.036 6.502 -2.144 1.00 . A A . 12 GLY HA2 1 1 14 4078 1 1 12 GLY HA3 H -9.376 6.212 -3.243 1.00 . A A . 12 GLY HA3 1 1 14 4079 1 1 12 GLY N N -7.658 5.131 -3.647 1.00 . A A . 12 GLY N 1 1 14 4080 1 1 12 GLY O O -9.648 5.114 -0.661 1.00 . A A . 12 GLY O 1 1 14 4081 1 1 13 GLY C C -10.854 1.753 -1.817 1.00 . A A . 13 GLY C 1 1 14 4082 1 1 13 GLY CA C -9.629 2.424 -1.226 1.00 . A A . 13 GLY CA 1 1 14 4083 1 1 13 GLY H H -8.690 3.225 -2.946 1.00 . A A . 13 GLY H 1 1 14 4084 1 1 13 GLY HA2 H -8.865 1.678 -1.065 1.00 . A A . 13 GLY HA2 1 1 14 4085 1 1 13 GLY HA3 H -9.897 2.861 -0.275 1.00 . A A . 13 GLY HA3 1 1 14 4086 1 1 13 GLY N N -9.096 3.463 -2.087 1.00 . A A . 13 GLY N 1 1 14 4087 1 1 13 GLY O O -11.985 2.138 -1.521 1.00 . A A . 13 GLY O 1 1 14 4088 1 1 14 VAL C C -12.428 -0.891 -2.294 1.00 . A A . 14 VAL C 1 1 14 4089 1 1 14 VAL CA C -11.722 0.021 -3.291 1.00 . A A . 14 VAL CA 1 1 14 4090 1 1 14 VAL CB C -11.222 -0.823 -4.478 1.00 . A A . 14 VAL CB 1 1 14 4091 1 1 14 VAL CG1 C -12.394 -1.428 -5.235 1.00 . A A . 14 VAL CG1 1 1 14 4092 1 1 14 VAL CG2 C -10.357 0.020 -5.403 1.00 . A A . 14 VAL CG2 1 1 14 4093 1 1 14 VAL H H -9.705 0.486 -2.853 1.00 . A A . 14 VAL H 1 1 14 4094 1 1 14 VAL HA H -12.431 0.746 -3.665 1.00 . A A . 14 VAL HA 1 1 14 4095 1 1 14 VAL HB H -10.617 -1.630 -4.090 1.00 . A A . 14 VAL HB 1 1 14 4096 1 1 14 VAL HG11 H -13.104 -1.837 -4.531 1.00 . A A . 14 VAL HG11 1 1 14 4097 1 1 14 VAL HG12 H -12.873 -0.664 -5.828 1.00 . A A . 14 VAL HG12 1 1 14 4098 1 1 14 VAL HG13 H -12.036 -2.216 -5.882 1.00 . A A . 14 VAL HG13 1 1 14 4099 1 1 14 VAL HG21 H -10.945 0.830 -5.807 1.00 . A A . 14 VAL HG21 1 1 14 4100 1 1 14 VAL HG22 H -9.522 0.421 -4.848 1.00 . A A . 14 VAL HG22 1 1 14 4101 1 1 14 VAL HG23 H -9.989 -0.595 -6.212 1.00 . A A . 14 VAL HG23 1 1 14 4102 1 1 14 VAL N N -10.628 0.747 -2.656 1.00 . A A . 14 VAL N 1 1 14 4103 1 1 14 VAL O O -13.646 -1.056 -2.342 1.00 . A A . 14 VAL O 1 1 14 4104 1 1 15 GLY C C -11.771 -3.807 -0.573 1.00 . A A . 15 GLY C 1 1 14 4105 1 1 15 GLY CA C -12.221 -2.371 -0.393 1.00 . A A . 15 GLY CA 1 1 14 4106 1 1 15 GLY H H -10.687 -1.314 -1.399 1.00 . A A . 15 GLY H 1 1 14 4107 1 1 15 GLY HA2 H -11.924 -2.032 0.588 1.00 . A A . 15 GLY HA2 1 1 14 4108 1 1 15 GLY HA3 H -13.298 -2.332 -0.465 1.00 . A A . 15 GLY HA3 1 1 14 4109 1 1 15 GLY N N -11.653 -1.482 -1.390 1.00 . A A . 15 GLY N 1 1 14 4110 1 1 15 GLY O O -12.408 -4.734 -0.071 1.00 . A A . 15 GLY O 1 1 14 4111 1 1 16 LYS C C -8.905 -5.589 -0.673 1.00 . A A . 16 LYS C 1 1 14 4112 1 1 16 LYS CA C -10.134 -5.328 -1.539 1.00 . A A . 16 LYS CA 1 1 14 4113 1 1 16 LYS CB C -9.773 -5.490 -3.017 1.00 . A A . 16 LYS CB 1 1 14 4114 1 1 16 LYS CD C -12.146 -5.735 -3.805 1.00 . A A . 16 LYS CD 1 1 14 4115 1 1 16 LYS CE C -13.316 -4.793 -3.561 1.00 . A A . 16 LYS CE 1 1 14 4116 1 1 16 LYS CG C -10.841 -4.972 -3.964 1.00 . A A . 16 LYS CG 1 1 14 4117 1 1 16 LYS H H -10.205 -3.216 -1.667 1.00 . A A . 16 LYS H 1 1 14 4118 1 1 16 LYS HA H -10.899 -6.046 -1.283 1.00 . A A . 16 LYS HA 1 1 14 4119 1 1 16 LYS HB2 H -8.857 -4.954 -3.213 1.00 . A A . 16 LYS HB2 1 1 14 4120 1 1 16 LYS HB3 H -9.617 -6.539 -3.224 1.00 . A A . 16 LYS HB3 1 1 14 4121 1 1 16 LYS HD2 H -12.335 -6.300 -4.705 1.00 . A A . 16 LYS HD2 1 1 14 4122 1 1 16 LYS HD3 H -12.058 -6.410 -2.966 1.00 . A A . 16 LYS HD3 1 1 14 4123 1 1 16 LYS HE2 H -13.077 -4.152 -2.727 1.00 . A A . 16 LYS HE2 1 1 14 4124 1 1 16 LYS HE3 H -13.467 -4.192 -4.446 1.00 . A A . 16 LYS HE3 1 1 14 4125 1 1 16 LYS HG2 H -11.020 -3.928 -3.754 1.00 . A A . 16 LYS HG2 1 1 14 4126 1 1 16 LYS HG3 H -10.492 -5.082 -4.981 1.00 . A A . 16 LYS HG3 1 1 14 4127 1 1 16 LYS HZ1 H -15.391 -4.901 -3.344 1.00 . A A . 16 LYS HZ1 1 1 14 4128 1 1 16 LYS HZ2 H -14.537 -5.914 -2.291 1.00 . A A . 16 LYS HZ2 1 1 14 4129 1 1 16 LYS HZ3 H -14.688 -6.326 -3.924 1.00 . A A . 16 LYS HZ3 1 1 14 4130 1 1 16 LYS N N -10.670 -3.995 -1.292 1.00 . A A . 16 LYS N 1 1 14 4131 1 1 16 LYS NZ N -14.571 -5.535 -3.259 1.00 . A A . 16 LYS NZ 1 1 14 4132 1 1 16 LYS O O -8.778 -6.650 -0.062 1.00 . A A . 16 LYS O 1 1 14 4133 1 1 17 SER C C -7.105 -5.139 1.601 1.00 . A A . 17 SER C 1 1 14 4134 1 1 17 SER CA C -6.783 -4.740 0.164 1.00 . A A . 17 SER CA 1 1 14 4135 1 1 17 SER CB C -6.004 -3.423 0.151 1.00 . A A . 17 SER CB 1 1 14 4136 1 1 17 SER H H -8.161 -3.792 -1.134 1.00 . A A . 17 SER H 1 1 14 4137 1 1 17 SER HA H -6.176 -5.512 -0.284 1.00 . A A . 17 SER HA 1 1 14 4138 1 1 17 SER HB2 H -5.623 -3.243 -0.843 1.00 . A A . 17 SER HB2 1 1 14 4139 1 1 17 SER HB3 H -6.663 -2.616 0.436 1.00 . A A . 17 SER HB3 1 1 14 4140 1 1 17 SER HG H -5.208 -3.175 1.924 1.00 . A A . 17 SER HG 1 1 14 4141 1 1 17 SER N N -8.003 -4.614 -0.625 1.00 . A A . 17 SER N 1 1 14 4142 1 1 17 SER O O -6.310 -5.806 2.265 1.00 . A A . 17 SER O 1 1 14 4143 1 1 17 SER OG O -4.915 -3.466 1.057 1.00 . A A . 17 SER OG 1 1 14 4144 1 1 18 HIS C C -8.729 -6.550 3.660 1.00 . A A . 18 HIS C 1 1 14 4145 1 1 18 HIS CA C -8.704 -5.042 3.434 1.00 . A A . 18 HIS CA 1 1 14 4146 1 1 18 HIS CB C -10.088 -4.451 3.705 1.00 . A A . 18 HIS CB 1 1 14 4147 1 1 18 HIS CD2 C -11.197 -2.128 3.385 1.00 . A A . 18 HIS CD2 1 1 14 4148 1 1 18 HIS CE1 C -9.381 -0.900 3.408 1.00 . A A . 18 HIS CE1 1 1 14 4149 1 1 18 HIS CG C -10.144 -2.962 3.553 1.00 . A A . 18 HIS CG 1 1 14 4150 1 1 18 HIS H H -8.866 -4.199 1.498 1.00 . A A . 18 HIS H 1 1 14 4151 1 1 18 HIS HA H -7.994 -4.600 4.116 1.00 . A A . 18 HIS HA 1 1 14 4152 1 1 18 HIS HB2 H -10.798 -4.882 3.013 1.00 . A A . 18 HIS HB2 1 1 14 4153 1 1 18 HIS HB3 H -10.385 -4.694 4.715 1.00 . A A . 18 HIS HB3 1 1 14 4154 1 1 18 HIS HD1 H -8.098 -2.473 3.667 1.00 . A A . 18 HIS HD1 1 1 14 4155 1 1 18 HIS HD2 H -12.239 -2.413 3.330 1.00 . A A . 18 HIS HD2 1 1 14 4156 1 1 18 HIS HE1 H -8.715 -0.052 3.377 1.00 . A A . 18 HIS HE1 1 1 14 4157 1 1 18 HIS N N -8.276 -4.727 2.076 1.00 . A A . 18 HIS N 1 1 14 4158 1 1 18 HIS ND1 N -9.021 -2.162 3.562 1.00 . A A . 18 HIS ND1 1 1 14 4159 1 1 18 HIS NE2 N -10.697 -0.853 3.298 1.00 . A A . 18 HIS NE2 1 1 14 4160 1 1 18 HIS O O -8.435 -7.029 4.756 1.00 . A A . 18 HIS O 1 1 14 4161 1 1 19 VAL C C -7.797 -9.334 3.110 1.00 . A A . 19 VAL C 1 1 14 4162 1 1 19 VAL CA C -9.144 -8.749 2.701 1.00 . A A . 19 VAL CA 1 1 14 4163 1 1 19 VAL CB C -9.576 -9.371 1.360 1.00 . A A . 19 VAL CB 1 1 14 4164 1 1 19 VAL CG1 C -9.618 -10.888 1.464 1.00 . A A . 19 VAL CG1 1 1 14 4165 1 1 19 VAL CG2 C -10.926 -8.820 0.928 1.00 . A A . 19 VAL CG2 1 1 14 4166 1 1 19 VAL H H -9.304 -6.855 1.769 1.00 . A A . 19 VAL H 1 1 14 4167 1 1 19 VAL HA H -9.880 -9.009 3.448 1.00 . A A . 19 VAL HA 1 1 14 4168 1 1 19 VAL HB H -8.845 -9.104 0.611 1.00 . A A . 19 VAL HB 1 1 14 4169 1 1 19 VAL HG11 H -10.321 -11.278 0.742 1.00 . A A . 19 VAL HG11 1 1 14 4170 1 1 19 VAL HG12 H -8.635 -11.290 1.265 1.00 . A A . 19 VAL HG12 1 1 14 4171 1 1 19 VAL HG13 H -9.930 -11.172 2.458 1.00 . A A . 19 VAL HG13 1 1 14 4172 1 1 19 VAL HG21 H -11.344 -8.224 1.725 1.00 . A A . 19 VAL HG21 1 1 14 4173 1 1 19 VAL HG22 H -10.799 -8.208 0.048 1.00 . A A . 19 VAL HG22 1 1 14 4174 1 1 19 VAL HG23 H -11.594 -9.639 0.703 1.00 . A A . 19 VAL HG23 1 1 14 4175 1 1 19 VAL N N -9.081 -7.295 2.617 1.00 . A A . 19 VAL N 1 1 14 4176 1 1 19 VAL O O -7.693 -10.035 4.117 1.00 . A A . 19 VAL O 1 1 14 4177 1 1 20 TRP C C -4.610 -8.502 3.367 1.00 . A A . 20 TRP C 1 1 14 4178 1 1 20 TRP CA C -5.426 -9.539 2.604 1.00 . A A . 20 TRP CA 1 1 14 4179 1 1 20 TRP CB C -4.714 -9.909 1.302 1.00 . A A . 20 TRP CB 1 1 14 4180 1 1 20 TRP CD1 C -6.374 -10.378 -0.594 1.00 . A A . 20 TRP CD1 1 1 14 4181 1 1 20 TRP CD2 C -5.597 -12.215 0.425 1.00 . A A . 20 TRP CD2 1 1 14 4182 1 1 20 TRP CE2 C -6.493 -12.608 -0.589 1.00 . A A . 20 TRP CE2 1 1 14 4183 1 1 20 TRP CE3 C -4.982 -13.202 1.199 1.00 . A A . 20 TRP CE3 1 1 14 4184 1 1 20 TRP CG C -5.535 -10.785 0.404 1.00 . A A . 20 TRP CG 1 1 14 4185 1 1 20 TRP CH2 C -6.170 -14.890 -0.071 1.00 . A A . 20 TRP CH2 1 1 14 4186 1 1 20 TRP CZ2 C -6.787 -13.944 -0.845 1.00 . A A . 20 TRP CZ2 1 1 14 4187 1 1 20 TRP CZ3 C -5.275 -14.528 0.944 1.00 . A A . 20 TRP CZ3 1 1 14 4188 1 1 20 TRP H H -6.914 -8.478 1.534 1.00 . A A . 20 TRP H 1 1 14 4189 1 1 20 TRP HA H -5.522 -10.424 3.215 1.00 . A A . 20 TRP HA 1 1 14 4190 1 1 20 TRP HB2 H -4.476 -9.006 0.760 1.00 . A A . 20 TRP HB2 1 1 14 4191 1 1 20 TRP HB3 H -3.800 -10.436 1.537 1.00 . A A . 20 TRP HB3 1 1 14 4192 1 1 20 TRP HD1 H -6.548 -9.346 -0.859 1.00 . A A . 20 TRP HD1 1 1 14 4193 1 1 20 TRP HE1 H -7.592 -11.437 -1.938 1.00 . A A . 20 TRP HE1 1 1 14 4194 1 1 20 TRP HE3 H -4.289 -12.943 1.987 1.00 . A A . 20 TRP HE3 1 1 14 4195 1 1 20 TRP HH2 H -6.370 -15.937 -0.235 1.00 . A A . 20 TRP HH2 1 1 14 4196 1 1 20 TRP HZ2 H -7.474 -14.239 -1.624 1.00 . A A . 20 TRP HZ2 1 1 14 4197 1 1 20 TRP HZ3 H -4.810 -15.305 1.533 1.00 . A A . 20 TRP HZ3 1 1 14 4198 1 1 20 TRP N N -6.768 -9.042 2.323 1.00 . A A . 20 TRP N 1 1 14 4199 1 1 20 TRP NE1 N -6.954 -11.469 -1.195 1.00 . A A . 20 TRP NE1 1 1 14 4200 1 1 20 TRP O O -3.772 -8.846 4.200 1.00 . A A . 20 TRP O 1 1 15 4201 1 1 1 MET C C 3.052 -0.847 -1.111 1.00 . A A . 1 MET C 1 1 15 4202 1 1 1 MET CA C 1.925 0.175 -0.999 1.00 . A A . 1 MET CA 1 1 15 4203 1 1 1 MET CB C 2.487 1.590 -1.149 1.00 . A A . 1 MET CB 1 1 15 4204 1 1 1 MET CE C 5.527 2.475 -3.541 1.00 . A A . 1 MET CE 1 1 15 4205 1 1 1 MET CG C 3.007 1.893 -2.544 1.00 . A A . 1 MET CG 1 1 15 4206 1 1 1 MET H1 H 1.722 0.171 1.108 1.00 . A A . 1 MET H1 1 1 15 4207 1 1 1 MET HA H 1.212 -0.004 -1.790 1.00 . A A . 1 MET HA 1 1 15 4208 1 1 1 MET HB2 H 1.708 2.301 -0.916 1.00 . A A . 1 MET HB2 1 1 15 4209 1 1 1 MET HB3 H 3.301 1.717 -0.450 1.00 . A A . 1 MET HB3 1 1 15 4210 1 1 1 MET HE1 H 6.371 2.245 -2.907 1.00 . A A . 1 MET HE1 1 1 15 4211 1 1 1 MET HE2 H 5.159 1.567 -3.995 1.00 . A A . 1 MET HE2 1 1 15 4212 1 1 1 MET HE3 H 5.833 3.165 -4.314 1.00 . A A . 1 MET HE3 1 1 15 4213 1 1 1 MET HG2 H 3.463 1.001 -2.947 1.00 . A A . 1 MET HG2 1 1 15 4214 1 1 1 MET HG3 H 2.174 2.182 -3.168 1.00 . A A . 1 MET HG3 1 1 15 4215 1 1 1 MET N N 1.225 0.040 0.273 1.00 . A A . 1 MET N 1 1 15 4216 1 1 1 MET O O 4.204 -0.491 -1.359 1.00 . A A . 1 MET O 1 1 15 4217 1 1 1 MET SD S 4.228 3.220 -2.558 1.00 . A A . 1 MET SD 1 1 15 4218 1 1 2 THR C C 3.359 -4.163 -2.131 1.00 . A A . 2 THR C 1 1 15 4219 1 1 2 THR CA C 3.694 -3.192 -1.006 1.00 . A A . 2 THR CA 1 1 15 4220 1 1 2 THR CB C 3.783 -3.971 0.320 1.00 . A A . 2 THR CB 1 1 15 4221 1 1 2 THR CG2 C 2.505 -4.756 0.573 1.00 . A A . 2 THR CG2 1 1 15 4222 1 1 2 THR H H 1.777 -2.339 -0.732 1.00 . A A . 2 THR H 1 1 15 4223 1 1 2 THR HA H 4.659 -2.747 -1.202 1.00 . A A . 2 THR HA 1 1 15 4224 1 1 2 THR HB H 3.919 -3.265 1.127 1.00 . A A . 2 THR HB 1 1 15 4225 1 1 2 THR HG1 H 5.681 -4.416 0.621 1.00 . A A . 2 THR HG1 1 1 15 4226 1 1 2 THR HG21 H 1.656 -4.093 0.504 1.00 . A A . 2 THR HG21 1 1 15 4227 1 1 2 THR HG22 H 2.540 -5.195 1.559 1.00 . A A . 2 THR HG22 1 1 15 4228 1 1 2 THR HG23 H 2.411 -5.538 -0.166 1.00 . A A . 2 THR HG23 1 1 15 4229 1 1 2 THR N N 2.711 -2.119 -0.927 1.00 . A A . 2 THR N 1 1 15 4230 1 1 2 THR O O 4.250 -4.763 -2.732 1.00 . A A . 2 THR O 1 1 15 4231 1 1 2 THR OG1 O 4.900 -4.866 0.289 1.00 . A A . 2 THR OG1 1 1 15 4232 1 1 3 GLU C C 0.299 -4.731 -4.067 1.00 . A A . 3 GLU C 1 1 15 4233 1 1 3 GLU CA C 1.617 -5.213 -3.467 1.00 . A A . 3 GLU CA 1 1 15 4234 1 1 3 GLU CB C 1.452 -6.633 -2.921 1.00 . A A . 3 GLU CB 1 1 15 4235 1 1 3 GLU CD C 1.375 -7.739 -5.191 1.00 . A A . 3 GLU CD 1 1 15 4236 1 1 3 GLU CG C 0.686 -7.558 -3.852 1.00 . A A . 3 GLU CG 1 1 15 4237 1 1 3 GLU H H 1.405 -3.808 -1.898 1.00 . A A . 3 GLU H 1 1 15 4238 1 1 3 GLU HA H 2.369 -5.220 -4.242 1.00 . A A . 3 GLU HA 1 1 15 4239 1 1 3 GLU HB2 H 2.431 -7.056 -2.751 1.00 . A A . 3 GLU HB2 1 1 15 4240 1 1 3 GLU HB3 H 0.922 -6.584 -1.981 1.00 . A A . 3 GLU HB3 1 1 15 4241 1 1 3 GLU HG2 H 0.590 -8.524 -3.380 1.00 . A A . 3 GLU HG2 1 1 15 4242 1 1 3 GLU HG3 H -0.297 -7.143 -4.023 1.00 . A A . 3 GLU HG3 1 1 15 4243 1 1 3 GLU N N 2.068 -4.313 -2.413 1.00 . A A . 3 GLU N 1 1 15 4244 1 1 3 GLU O O 0.241 -4.335 -5.231 1.00 . A A . 3 GLU O 1 1 15 4245 1 1 3 GLU OE1 O 2.274 -8.601 -5.282 1.00 . A A . 3 GLU OE1 1 1 15 4246 1 1 3 GLU OE2 O 1.015 -7.021 -6.146 1.00 . A A . 3 GLU OE2 1 1 15 4247 1 1 4 TYR C C -2.466 -3.010 -3.068 1.00 . A A . 4 TYR C 1 1 15 4248 1 1 4 TYR CA C -2.076 -4.336 -3.713 1.00 . A A . 4 TYR CA 1 1 15 4249 1 1 4 TYR CB C -3.123 -5.403 -3.386 1.00 . A A . 4 TYR CB 1 1 15 4250 1 1 4 TYR CD1 C -3.107 -5.321 -0.862 1.00 . A A . 4 TYR CD1 1 1 15 4251 1 1 4 TYR CD2 C -2.567 -7.385 -1.924 1.00 . A A . 4 TYR CD2 1 1 15 4252 1 1 4 TYR CE1 C -2.929 -5.906 0.376 1.00 . A A . 4 TYR CE1 1 1 15 4253 1 1 4 TYR CE2 C -2.388 -7.979 -0.690 1.00 . A A . 4 TYR CE2 1 1 15 4254 1 1 4 TYR CG C -2.929 -6.048 -2.033 1.00 . A A . 4 TYR CG 1 1 15 4255 1 1 4 TYR CZ C -2.570 -7.235 0.457 1.00 . A A . 4 TYR CZ 1 1 15 4256 1 1 4 TYR H H -0.650 -5.092 -2.344 1.00 . A A . 4 TYR H 1 1 15 4257 1 1 4 TYR HA H -2.034 -4.204 -4.784 1.00 . A A . 4 TYR HA 1 1 15 4258 1 1 4 TYR HB2 H -4.103 -4.951 -3.400 1.00 . A A . 4 TYR HB2 1 1 15 4259 1 1 4 TYR HB3 H -3.080 -6.181 -4.134 1.00 . A A . 4 TYR HB3 1 1 15 4260 1 1 4 TYR HD1 H -3.389 -4.280 -0.930 1.00 . A A . 4 TYR HD1 1 1 15 4261 1 1 4 TYR HD2 H -2.425 -7.965 -2.825 1.00 . A A . 4 TYR HD2 1 1 15 4262 1 1 4 TYR HE1 H -3.072 -5.324 1.275 1.00 . A A . 4 TYR HE1 1 1 15 4263 1 1 4 TYR HE2 H -2.107 -9.020 -0.626 1.00 . A A . 4 TYR HE2 1 1 15 4264 1 1 4 TYR HH H -1.593 -7.481 2.095 1.00 . A A . 4 TYR HH 1 1 15 4265 1 1 4 TYR N N -0.758 -4.767 -3.262 1.00 . A A . 4 TYR N 1 1 15 4266 1 1 4 TYR O O -3.316 -2.282 -3.581 1.00 . A A . 4 TYR O 1 1 15 4267 1 1 4 TYR OH O -2.394 -7.822 1.689 1.00 . A A . 4 TYR OH 1 1 15 4268 1 1 5 LYS C C -1.661 -0.253 -2.030 1.00 . A A . 5 LYS C 1 1 15 4269 1 1 5 LYS CA C -2.116 -1.463 -1.221 1.00 . A A . 5 LYS CA 1 1 15 4270 1 1 5 LYS CB C -1.420 -1.471 0.141 1.00 . A A . 5 LYS CB 1 1 15 4271 1 1 5 LYS CD C -1.113 -2.938 2.157 1.00 . A A . 5 LYS CD 1 1 15 4272 1 1 5 LYS CE C -0.503 -1.862 3.043 1.00 . A A . 5 LYS CE 1 1 15 4273 1 1 5 LYS CG C -2.108 -2.350 1.171 1.00 . A A . 5 LYS CG 1 1 15 4274 1 1 5 LYS H H -1.171 -3.323 -1.578 1.00 . A A . 5 LYS H 1 1 15 4275 1 1 5 LYS HA H -3.183 -1.399 -1.070 1.00 . A A . 5 LYS HA 1 1 15 4276 1 1 5 LYS HB2 H -0.408 -1.827 0.013 1.00 . A A . 5 LYS HB2 1 1 15 4277 1 1 5 LYS HB3 H -1.391 -0.461 0.523 1.00 . A A . 5 LYS HB3 1 1 15 4278 1 1 5 LYS HD2 H -1.620 -3.657 2.782 1.00 . A A . 5 LYS HD2 1 1 15 4279 1 1 5 LYS HD3 H -0.322 -3.430 1.608 1.00 . A A . 5 LYS HD3 1 1 15 4280 1 1 5 LYS HE2 H 0.367 -2.269 3.535 1.00 . A A . 5 LYS HE2 1 1 15 4281 1 1 5 LYS HE3 H -0.209 -1.028 2.422 1.00 . A A . 5 LYS HE3 1 1 15 4282 1 1 5 LYS HG2 H -2.828 -1.757 1.714 1.00 . A A . 5 LYS HG2 1 1 15 4283 1 1 5 LYS HG3 H -2.615 -3.157 0.661 1.00 . A A . 5 LYS HG3 1 1 15 4284 1 1 5 LYS HZ1 H -1.013 -1.383 5.011 1.00 . A A . 5 LYS HZ1 1 1 15 4285 1 1 5 LYS HZ2 H -2.297 -2.005 4.103 1.00 . A A . 5 LYS HZ2 1 1 15 4286 1 1 5 LYS HZ3 H -1.776 -0.416 3.852 1.00 . A A . 5 LYS HZ3 1 1 15 4287 1 1 5 LYS N N -1.839 -2.702 -1.938 1.00 . A A . 5 LYS N 1 1 15 4288 1 1 5 LYS NZ N -1.464 -1.383 4.075 1.00 . A A . 5 LYS NZ 1 1 15 4289 1 1 5 LYS O O -2.023 0.884 -1.723 1.00 . A A . 5 LYS O 1 1 15 4290 1 1 6 LEU C C -1.366 0.907 -5.015 1.00 . A A . 6 LEU C 1 1 15 4291 1 1 6 LEU CA C -0.362 0.566 -3.919 1.00 . A A . 6 LEU CA 1 1 15 4292 1 1 6 LEU CB C 0.974 0.160 -4.543 1.00 . A A . 6 LEU CB 1 1 15 4293 1 1 6 LEU CD1 C 1.017 -0.746 -6.880 1.00 . A A . 6 LEU CD1 1 1 15 4294 1 1 6 LEU CD2 C 2.111 -2.021 -5.027 1.00 . A A . 6 LEU CD2 1 1 15 4295 1 1 6 LEU CG C 0.956 -1.104 -5.403 1.00 . A A . 6 LEU CG 1 1 15 4296 1 1 6 LEU H H -0.612 -1.429 -3.260 1.00 . A A . 6 LEU H 1 1 15 4297 1 1 6 LEU HA H -0.211 1.440 -3.302 1.00 . A A . 6 LEU HA 1 1 15 4298 1 1 6 LEU HB2 H 1.311 0.977 -5.163 1.00 . A A . 6 LEU HB2 1 1 15 4299 1 1 6 LEU HB3 H 1.680 0.006 -3.740 1.00 . A A . 6 LEU HB3 1 1 15 4300 1 1 6 LEU HD11 H 0.726 -1.602 -7.470 1.00 . A A . 6 LEU HD11 1 1 15 4301 1 1 6 LEU HD12 H 2.024 -0.456 -7.139 1.00 . A A . 6 LEU HD12 1 1 15 4302 1 1 6 LEU HD13 H 0.344 0.075 -7.079 1.00 . A A . 6 LEU HD13 1 1 15 4303 1 1 6 LEU HD21 H 1.989 -2.353 -4.007 1.00 . A A . 6 LEU HD21 1 1 15 4304 1 1 6 LEU HD22 H 3.043 -1.483 -5.122 1.00 . A A . 6 LEU HD22 1 1 15 4305 1 1 6 LEU HD23 H 2.121 -2.877 -5.686 1.00 . A A . 6 LEU HD23 1 1 15 4306 1 1 6 LEU HG H 0.033 -1.638 -5.227 1.00 . A A . 6 LEU HG 1 1 15 4307 1 1 6 LEU N N -0.866 -0.503 -3.064 1.00 . A A . 6 LEU N 1 1 15 4308 1 1 6 LEU O O -1.318 1.987 -5.603 1.00 . A A . 6 LEU O 1 1 15 4309 1 1 7 VAL C C -4.679 0.329 -5.685 1.00 . A A . 7 VAL C 1 1 15 4310 1 1 7 VAL CA C -3.296 0.179 -6.309 1.00 . A A . 7 VAL CA 1 1 15 4311 1 1 7 VAL CB C -3.322 -0.988 -7.313 1.00 . A A . 7 VAL CB 1 1 15 4312 1 1 7 VAL CG1 C -4.409 -0.772 -8.355 1.00 . A A . 7 VAL CG1 1 1 15 4313 1 1 7 VAL CG2 C -1.962 -1.150 -7.976 1.00 . A A . 7 VAL CG2 1 1 15 4314 1 1 7 VAL H H -2.265 -0.864 -4.783 1.00 . A A . 7 VAL H 1 1 15 4315 1 1 7 VAL HA H -3.054 1.085 -6.846 1.00 . A A . 7 VAL HA 1 1 15 4316 1 1 7 VAL HB H -3.546 -1.896 -6.774 1.00 . A A . 7 VAL HB 1 1 15 4317 1 1 7 VAL HG11 H -4.078 -1.163 -9.306 1.00 . A A . 7 VAL HG11 1 1 15 4318 1 1 7 VAL HG12 H -5.309 -1.283 -8.048 1.00 . A A . 7 VAL HG12 1 1 15 4319 1 1 7 VAL HG13 H -4.610 0.285 -8.452 1.00 . A A . 7 VAL HG13 1 1 15 4320 1 1 7 VAL HG21 H -2.094 -1.493 -8.991 1.00 . A A . 7 VAL HG21 1 1 15 4321 1 1 7 VAL HG22 H -1.449 -0.199 -7.980 1.00 . A A . 7 VAL HG22 1 1 15 4322 1 1 7 VAL HG23 H -1.376 -1.872 -7.425 1.00 . A A . 7 VAL HG23 1 1 15 4323 1 1 7 VAL N N -2.278 -0.023 -5.285 1.00 . A A . 7 VAL N 1 1 15 4324 1 1 7 VAL O O -5.356 1.339 -5.884 1.00 . A A . 7 VAL O 1 1 15 4325 1 1 8 VAL C C -6.484 0.469 -3.258 1.00 . A A . 8 VAL C 1 1 15 4326 1 1 8 VAL CA C -6.397 -0.663 -4.275 1.00 . A A . 8 VAL CA 1 1 15 4327 1 1 8 VAL CB C -6.689 -1.999 -3.566 1.00 . A A . 8 VAL CB 1 1 15 4328 1 1 8 VAL CG1 C -8.040 -1.950 -2.869 1.00 . A A . 8 VAL CG1 1 1 15 4329 1 1 8 VAL CG2 C -6.632 -3.151 -4.557 1.00 . A A . 8 VAL CG2 1 1 15 4330 1 1 8 VAL H H -4.510 -1.460 -4.808 1.00 . A A . 8 VAL H 1 1 15 4331 1 1 8 VAL HA H -7.150 -0.510 -5.034 1.00 . A A . 8 VAL HA 1 1 15 4332 1 1 8 VAL HB H -5.928 -2.159 -2.816 1.00 . A A . 8 VAL HB 1 1 15 4333 1 1 8 VAL HG11 H -8.621 -2.816 -3.151 1.00 . A A . 8 VAL HG11 1 1 15 4334 1 1 8 VAL HG12 H -7.894 -1.945 -1.799 1.00 . A A . 8 VAL HG12 1 1 15 4335 1 1 8 VAL HG13 H -8.566 -1.054 -3.166 1.00 . A A . 8 VAL HG13 1 1 15 4336 1 1 8 VAL HG21 H -6.033 -3.950 -4.147 1.00 . A A . 8 VAL HG21 1 1 15 4337 1 1 8 VAL HG22 H -7.632 -3.511 -4.747 1.00 . A A . 8 VAL HG22 1 1 15 4338 1 1 8 VAL HG23 H -6.191 -2.809 -5.482 1.00 . A A . 8 VAL HG23 1 1 15 4339 1 1 8 VAL N N -5.095 -0.682 -4.929 1.00 . A A . 8 VAL N 1 1 15 4340 1 1 8 VAL O O -7.380 1.312 -3.325 1.00 . A A . 8 VAL O 1 1 15 4341 1 1 9 VAL C C -4.808 2.768 -1.780 1.00 . A A . 9 VAL C 1 1 15 4342 1 1 9 VAL CA C -5.517 1.514 -1.283 1.00 . A A . 9 VAL CA 1 1 15 4343 1 1 9 VAL CB C -4.814 1.011 -0.008 1.00 . A A . 9 VAL CB 1 1 15 4344 1 1 9 VAL CG1 C -4.976 2.015 1.123 1.00 . A A . 9 VAL CG1 1 1 15 4345 1 1 9 VAL CG2 C -5.356 -0.352 0.396 1.00 . A A . 9 VAL CG2 1 1 15 4346 1 1 9 VAL H H -4.860 -0.215 -2.313 1.00 . A A . 9 VAL H 1 1 15 4347 1 1 9 VAL HA H -6.537 1.765 -1.031 1.00 . A A . 9 VAL HA 1 1 15 4348 1 1 9 VAL HB H -3.760 0.907 -0.220 1.00 . A A . 9 VAL HB 1 1 15 4349 1 1 9 VAL HG11 H -4.143 2.702 1.116 1.00 . A A . 9 VAL HG11 1 1 15 4350 1 1 9 VAL HG12 H -5.897 2.563 0.989 1.00 . A A . 9 VAL HG12 1 1 15 4351 1 1 9 VAL HG13 H -5.002 1.492 2.067 1.00 . A A . 9 VAL HG13 1 1 15 4352 1 1 9 VAL HG21 H -4.813 -0.715 1.256 1.00 . A A . 9 VAL HG21 1 1 15 4353 1 1 9 VAL HG22 H -6.404 -0.263 0.643 1.00 . A A . 9 VAL HG22 1 1 15 4354 1 1 9 VAL HG23 H -5.237 -1.045 -0.424 1.00 . A A . 9 VAL HG23 1 1 15 4355 1 1 9 VAL N N -5.548 0.484 -2.314 1.00 . A A . 9 VAL N 1 1 15 4356 1 1 9 VAL O O -5.063 3.871 -1.298 1.00 . A A . 9 VAL O 1 1 15 4357 1 1 10 GLY C C -4.060 4.635 -4.125 1.00 . A A . 10 GLY C 1 1 15 4358 1 1 10 GLY CA C -3.181 3.719 -3.296 1.00 . A A . 10 GLY CA 1 1 15 4359 1 1 10 GLY H H -3.752 1.689 -3.095 1.00 . A A . 10 GLY H 1 1 15 4360 1 1 10 GLY HA2 H -2.754 4.286 -2.483 1.00 . A A . 10 GLY HA2 1 1 15 4361 1 1 10 GLY HA3 H -2.382 3.345 -3.920 1.00 . A A . 10 GLY HA3 1 1 15 4362 1 1 10 GLY N N -3.914 2.592 -2.749 1.00 . A A . 10 GLY N 1 1 15 4363 1 1 10 GLY O O -3.715 5.792 -4.359 1.00 . A A . 10 GLY O 1 1 15 4364 1 1 11 ALA C C -7.121 5.648 -4.499 1.00 . A A . 11 ALA C 1 1 15 4365 1 1 11 ALA CA C -6.129 4.894 -5.379 1.00 . A A . 11 ALA CA 1 1 15 4366 1 1 11 ALA CB C -6.868 3.989 -6.354 1.00 . A A . 11 ALA CB 1 1 15 4367 1 1 11 ALA H H -5.419 3.186 -4.352 1.00 . A A . 11 ALA H 1 1 15 4368 1 1 11 ALA HA H -5.557 5.609 -5.952 1.00 . A A . 11 ALA HA 1 1 15 4369 1 1 11 ALA HB1 H -7.336 4.592 -7.118 1.00 . A A . 11 ALA HB1 1 1 15 4370 1 1 11 ALA HB2 H -6.168 3.306 -6.811 1.00 . A A . 11 ALA HB2 1 1 15 4371 1 1 11 ALA HB3 H -7.624 3.430 -5.823 1.00 . A A . 11 ALA HB3 1 1 15 4372 1 1 11 ALA N N -5.199 4.115 -4.572 1.00 . A A . 11 ALA N 1 1 15 4373 1 1 11 ALA O O -7.656 6.682 -4.896 1.00 . A A . 11 ALA O 1 1 15 4374 1 1 12 GLY C C -8.971 4.765 -1.466 1.00 . A A . 12 GLY C 1 1 15 4375 1 1 12 GLY CA C -8.289 5.759 -2.385 1.00 . A A . 12 GLY CA 1 1 15 4376 1 1 12 GLY H H -6.906 4.295 -3.039 1.00 . A A . 12 GLY H 1 1 15 4377 1 1 12 GLY HA2 H -7.750 6.477 -1.785 1.00 . A A . 12 GLY HA2 1 1 15 4378 1 1 12 GLY HA3 H -9.044 6.278 -2.958 1.00 . A A . 12 GLY HA3 1 1 15 4379 1 1 12 GLY N N -7.362 5.122 -3.302 1.00 . A A . 12 GLY N 1 1 15 4380 1 1 12 GLY O O -9.501 5.137 -0.421 1.00 . A A . 12 GLY O 1 1 15 4381 1 1 13 GLY C C -10.800 1.859 -1.724 1.00 . A A . 13 GLY C 1 1 15 4382 1 1 13 GLY CA C -9.584 2.463 -1.051 1.00 . A A . 13 GLY CA 1 1 15 4383 1 1 13 GLY H H -8.519 3.255 -2.701 1.00 . A A . 13 GLY H 1 1 15 4384 1 1 13 GLY HA2 H -8.864 1.680 -0.863 1.00 . A A . 13 GLY HA2 1 1 15 4385 1 1 13 GLY HA3 H -9.886 2.894 -0.107 1.00 . A A . 13 GLY HA3 1 1 15 4386 1 1 13 GLY N N -8.958 3.494 -1.857 1.00 . A A . 13 GLY N 1 1 15 4387 1 1 13 GLY O O -11.933 2.254 -1.447 1.00 . A A . 13 GLY O 1 1 15 4388 1 1 14 VAL C C -12.433 -0.692 -2.407 1.00 . A A . 14 VAL C 1 1 15 4389 1 1 14 VAL CA C -11.653 0.239 -3.329 1.00 . A A . 14 VAL CA 1 1 15 4390 1 1 14 VAL CB C -11.125 -0.568 -4.529 1.00 . A A . 14 VAL CB 1 1 15 4391 1 1 14 VAL CG1 C -12.280 -1.095 -5.368 1.00 . A A . 14 VAL CG1 1 1 15 4392 1 1 14 VAL CG2 C -10.188 0.283 -5.373 1.00 . A A . 14 VAL CG2 1 1 15 4393 1 1 14 VAL H H -9.643 0.627 -2.791 1.00 . A A . 14 VAL H 1 1 15 4394 1 1 14 VAL HA H -12.320 1.003 -3.701 1.00 . A A . 14 VAL HA 1 1 15 4395 1 1 14 VAL HB H -10.569 -1.413 -4.152 1.00 . A A . 14 VAL HB 1 1 15 4396 1 1 14 VAL HG11 H -12.046 -2.090 -5.718 1.00 . A A . 14 VAL HG11 1 1 15 4397 1 1 14 VAL HG12 H -13.177 -1.125 -4.767 1.00 . A A . 14 VAL HG12 1 1 15 4398 1 1 14 VAL HG13 H -12.435 -0.444 -6.216 1.00 . A A . 14 VAL HG13 1 1 15 4399 1 1 14 VAL HG21 H -9.191 0.235 -4.962 1.00 . A A . 14 VAL HG21 1 1 15 4400 1 1 14 VAL HG22 H -10.179 -0.089 -6.386 1.00 . A A . 14 VAL HG22 1 1 15 4401 1 1 14 VAL HG23 H -10.530 1.308 -5.369 1.00 . A A . 14 VAL HG23 1 1 15 4402 1 1 14 VAL N N -10.567 0.899 -2.613 1.00 . A A . 14 VAL N 1 1 15 4403 1 1 14 VAL O O -13.653 -0.807 -2.512 1.00 . A A . 14 VAL O 1 1 15 4404 1 1 15 GLY C C -12.027 -3.718 -0.865 1.00 . A A . 15 GLY C 1 1 15 4405 1 1 15 GLY CA C -12.360 -2.268 -0.575 1.00 . A A . 15 GLY CA 1 1 15 4406 1 1 15 GLY H H -10.748 -1.224 -1.466 1.00 . A A . 15 GLY H 1 1 15 4407 1 1 15 GLY HA2 H -12.040 -2.029 0.428 1.00 . A A . 15 GLY HA2 1 1 15 4408 1 1 15 GLY HA3 H -13.431 -2.137 -0.641 1.00 . A A . 15 GLY HA3 1 1 15 4409 1 1 15 GLY N N -11.719 -1.355 -1.503 1.00 . A A . 15 GLY N 1 1 15 4410 1 1 15 GLY O O -12.773 -4.622 -0.487 1.00 . A A . 15 GLY O 1 1 15 4411 1 1 16 LYS C C -9.290 -5.721 -1.017 1.00 . A A . 16 LYS C 1 1 15 4412 1 1 16 LYS CA C -10.473 -5.293 -1.880 1.00 . A A . 16 LYS CA 1 1 15 4413 1 1 16 LYS CB C -10.092 -5.370 -3.360 1.00 . A A . 16 LYS CB 1 1 15 4414 1 1 16 LYS CD C -12.426 -5.519 -4.277 1.00 . A A . 16 LYS CD 1 1 15 4415 1 1 16 LYS CE C -13.598 -4.633 -3.887 1.00 . A A . 16 LYS CE 1 1 15 4416 1 1 16 LYS CG C -11.120 -4.743 -4.286 1.00 . A A . 16 LYS CG 1 1 15 4417 1 1 16 LYS H H -10.351 -3.180 -1.812 1.00 . A A . 16 LYS H 1 1 15 4418 1 1 16 LYS HA H -11.299 -5.962 -1.694 1.00 . A A . 16 LYS HA 1 1 15 4419 1 1 16 LYS HB2 H -9.150 -4.861 -3.504 1.00 . A A . 16 LYS HB2 1 1 15 4420 1 1 16 LYS HB3 H -9.976 -6.408 -3.636 1.00 . A A . 16 LYS HB3 1 1 15 4421 1 1 16 LYS HD2 H -12.604 -5.919 -5.264 1.00 . A A . 16 LYS HD2 1 1 15 4422 1 1 16 LYS HD3 H -12.347 -6.330 -3.567 1.00 . A A . 16 LYS HD3 1 1 15 4423 1 1 16 LYS HE2 H -13.329 -4.067 -3.009 1.00 . A A . 16 LYS HE2 1 1 15 4424 1 1 16 LYS HE3 H -13.807 -3.955 -4.702 1.00 . A A . 16 LYS HE3 1 1 15 4425 1 1 16 LYS HG2 H -11.313 -3.731 -3.962 1.00 . A A . 16 LYS HG2 1 1 15 4426 1 1 16 LYS HG3 H -10.725 -4.732 -5.292 1.00 . A A . 16 LYS HG3 1 1 15 4427 1 1 16 LYS HZ1 H -15.526 -5.294 -4.347 1.00 . A A . 16 LYS HZ1 1 1 15 4428 1 1 16 LYS HZ2 H -15.236 -5.126 -2.689 1.00 . A A . 16 LYS HZ2 1 1 15 4429 1 1 16 LYS HZ3 H -14.585 -6.439 -3.533 1.00 . A A . 16 LYS HZ3 1 1 15 4430 1 1 16 LYS N N -10.904 -3.943 -1.539 1.00 . A A . 16 LYS N 1 1 15 4431 1 1 16 LYS NZ N -14.822 -5.429 -3.594 1.00 . A A . 16 LYS NZ 1 1 15 4432 1 1 16 LYS O O -9.273 -6.825 -0.474 1.00 . A A . 16 LYS O 1 1 15 4433 1 1 17 SER C C -7.498 -5.534 1.321 1.00 . A A . 17 SER C 1 1 15 4434 1 1 17 SER CA C -7.116 -5.126 -0.098 1.00 . A A . 17 SER CA 1 1 15 4435 1 1 17 SER CB C -6.194 -3.905 -0.059 1.00 . A A . 17 SER CB 1 1 15 4436 1 1 17 SER H H -8.375 -3.974 -1.351 1.00 . A A . 17 SER H 1 1 15 4437 1 1 17 SER HA H -6.593 -5.946 -0.567 1.00 . A A . 17 SER HA 1 1 15 4438 1 1 17 SER HB2 H -5.628 -3.855 -0.976 1.00 . A A . 17 SER HB2 1 1 15 4439 1 1 17 SER HB3 H -6.791 -3.011 0.046 1.00 . A A . 17 SER HB3 1 1 15 4440 1 1 17 SER HG H -5.688 -3.576 1.805 1.00 . A A . 17 SER HG 1 1 15 4441 1 1 17 SER N N -8.303 -4.838 -0.894 1.00 . A A . 17 SER N 1 1 15 4442 1 1 17 SER O O -6.795 -6.312 1.967 1.00 . A A . 17 SER O 1 1 15 4443 1 1 17 SER OG O -5.292 -3.983 1.031 1.00 . A A . 17 SER OG 1 1 15 4444 1 1 18 HIS C C -9.169 -6.822 3.361 1.00 . A A . 18 HIS C 1 1 15 4445 1 1 18 HIS CA C -9.097 -5.313 3.144 1.00 . A A . 18 HIS CA 1 1 15 4446 1 1 18 HIS CB C -10.472 -4.687 3.376 1.00 . A A . 18 HIS CB 1 1 15 4447 1 1 18 HIS CD2 C -10.954 -2.441 4.580 1.00 . A A . 18 HIS CD2 1 1 15 4448 1 1 18 HIS CE1 C -9.907 -1.103 3.195 1.00 . A A . 18 HIS CE1 1 1 15 4449 1 1 18 HIS CG C -10.426 -3.206 3.597 1.00 . A A . 18 HIS CG 1 1 15 4450 1 1 18 HIS H H -9.137 -4.392 1.239 1.00 . A A . 18 HIS H 1 1 15 4451 1 1 18 HIS HA H -8.396 -4.894 3.850 1.00 . A A . 18 HIS HA 1 1 15 4452 1 1 18 HIS HB2 H -11.095 -4.873 2.514 1.00 . A A . 18 HIS HB2 1 1 15 4453 1 1 18 HIS HB3 H -10.925 -5.139 4.246 1.00 . A A . 18 HIS HB3 1 1 15 4454 1 1 18 HIS HD1 H -9.292 -2.589 1.931 1.00 . A A . 18 HIS HD1 1 1 15 4455 1 1 18 HIS HD2 H -11.533 -2.790 5.424 1.00 . A A . 18 HIS HD2 1 1 15 4456 1 1 18 HIS HE1 H -9.502 -0.215 2.732 1.00 . A A . 18 HIS HE1 1 1 15 4457 1 1 18 HIS N N -8.619 -5.004 1.801 1.00 . A A . 18 HIS N 1 1 15 4458 1 1 18 HIS ND1 N -9.777 -2.338 2.744 1.00 . A A . 18 HIS ND1 1 1 15 4459 1 1 18 HIS NE2 N -10.618 -1.138 4.307 1.00 . A A . 18 HIS NE2 1 1 15 4460 1 1 18 HIS O O -8.955 -7.311 4.471 1.00 . A A . 18 HIS O 1 1 15 4461 1 1 19 VAL C C -8.293 -9.619 2.927 1.00 . A A . 19 VAL C 1 1 15 4462 1 1 19 VAL CA C -9.573 -9.007 2.369 1.00 . A A . 19 VAL CA 1 1 15 4463 1 1 19 VAL CB C -9.862 -9.621 0.986 1.00 . A A . 19 VAL CB 1 1 15 4464 1 1 19 VAL CG1 C -9.938 -11.137 1.080 1.00 . A A . 19 VAL CG1 1 1 15 4465 1 1 19 VAL CG2 C -11.148 -9.049 0.407 1.00 . A A . 19 VAL CG2 1 1 15 4466 1 1 19 VAL H H -9.633 -7.108 1.437 1.00 . A A . 19 VAL H 1 1 15 4467 1 1 19 VAL HA H -10.395 -9.252 3.026 1.00 . A A . 19 VAL HA 1 1 15 4468 1 1 19 VAL HB H -9.049 -9.364 0.323 1.00 . A A . 19 VAL HB 1 1 15 4469 1 1 19 VAL HG11 H -8.978 -11.527 1.384 1.00 . A A . 19 VAL HG11 1 1 15 4470 1 1 19 VAL HG12 H -10.689 -11.416 1.805 1.00 . A A . 19 VAL HG12 1 1 15 4471 1 1 19 VAL HG13 H -10.202 -11.545 0.114 1.00 . A A . 19 VAL HG13 1 1 15 4472 1 1 19 VAL HG21 H -11.988 -9.381 0.998 1.00 . A A . 19 VAL HG21 1 1 15 4473 1 1 19 VAL HG22 H -11.100 -7.970 0.423 1.00 . A A . 19 VAL HG22 1 1 15 4474 1 1 19 VAL HG23 H -11.267 -9.389 -0.611 1.00 . A A . 19 VAL HG23 1 1 15 4475 1 1 19 VAL N N -9.473 -7.555 2.295 1.00 . A A . 19 VAL N 1 1 15 4476 1 1 19 VAL O O -8.334 -10.438 3.844 1.00 . A A . 19 VAL O 1 1 15 4477 1 1 20 TRP C C -5.271 -8.831 3.893 1.00 . A A . 20 TRP C 1 1 15 4478 1 1 20 TRP CA C -5.865 -9.723 2.809 1.00 . A A . 20 TRP CA 1 1 15 4479 1 1 20 TRP CB C -4.901 -9.821 1.626 1.00 . A A . 20 TRP CB 1 1 15 4480 1 1 20 TRP CD1 C -6.109 -10.516 -0.524 1.00 . A A . 20 TRP CD1 1 1 15 4481 1 1 20 TRP CD2 C -5.058 -12.193 0.525 1.00 . A A . 20 TRP CD2 1 1 15 4482 1 1 20 TRP CE2 C -5.678 -12.705 -0.632 1.00 . A A . 20 TRP CE2 1 1 15 4483 1 1 20 TRP CE3 C -4.336 -13.065 1.343 1.00 . A A . 20 TRP CE3 1 1 15 4484 1 1 20 TRP CG C -5.347 -10.792 0.575 1.00 . A A . 20 TRP CG 1 1 15 4485 1 1 20 TRP CH2 C -4.882 -14.880 -0.168 1.00 . A A . 20 TRP CH2 1 1 15 4486 1 1 20 TRP CZ2 C -5.596 -14.048 -0.988 1.00 . A A . 20 TRP CZ2 1 1 15 4487 1 1 20 TRP CZ3 C -4.256 -14.399 0.989 1.00 . A A . 20 TRP CZ3 1 1 15 4488 1 1 20 TRP H H -7.191 -8.559 1.639 1.00 . A A . 20 TRP H 1 1 15 4489 1 1 20 TRP HA H -6.020 -10.711 3.218 1.00 . A A . 20 TRP HA 1 1 15 4490 1 1 20 TRP HB2 H -4.807 -8.849 1.165 1.00 . A A . 20 TRP HB2 1 1 15 4491 1 1 20 TRP HB3 H -3.933 -10.139 1.986 1.00 . A A . 20 TRP HB3 1 1 15 4492 1 1 20 TRP HD1 H -6.491 -9.537 -0.769 1.00 . A A . 20 TRP HD1 1 1 15 4493 1 1 20 TRP HE1 H -6.828 -11.723 -2.086 1.00 . A A . 20 TRP HE1 1 1 15 4494 1 1 20 TRP HE3 H -3.846 -12.713 2.240 1.00 . A A . 20 TRP HE3 1 1 15 4495 1 1 20 TRP HH2 H -4.794 -15.929 -0.405 1.00 . A A . 20 TRP HH2 1 1 15 4496 1 1 20 TRP HZ2 H -6.072 -14.434 -1.877 1.00 . A A . 20 TRP HZ2 1 1 15 4497 1 1 20 TRP HZ3 H -3.702 -15.088 1.610 1.00 . A A . 20 TRP HZ3 1 1 15 4498 1 1 20 TRP N N -7.159 -9.215 2.367 1.00 . A A . 20 TRP N 1 1 15 4499 1 1 20 TRP NE1 N -6.313 -11.662 -1.254 1.00 . A A . 20 TRP NE1 1 1 15 4500 1 1 20 TRP O O -5.276 -7.605 3.774 1.00 . A A . 20 TRP O 1 1 16 4501 1 1 1 MET C C 2.971 -0.888 -1.144 1.00 . A A . 1 MET C 1 1 16 4502 1 1 1 MET CA C 1.868 0.164 -1.091 1.00 . A A . 1 MET CA 1 1 16 4503 1 1 1 MET CB C 2.474 1.562 -1.228 1.00 . A A . 1 MET CB 1 1 16 4504 1 1 1 MET CE C 5.822 2.121 -2.700 1.00 . A A . 1 MET CE 1 1 16 4505 1 1 1 MET CG C 3.068 1.836 -2.600 1.00 . A A . 1 MET CG 1 1 16 4506 1 1 1 MET H1 H 1.566 0.216 1.003 1.00 . A A . 1 MET H1 1 1 16 4507 1 1 1 MET HA H 1.187 -0.005 -1.911 1.00 . A A . 1 MET HA 1 1 16 4508 1 1 1 MET HB2 H 1.705 2.295 -1.039 1.00 . A A . 1 MET HB2 1 1 16 4509 1 1 1 MET HB3 H 3.257 1.676 -0.492 1.00 . A A . 1 MET HB3 1 1 16 4510 1 1 1 MET HE1 H 6.224 1.938 -1.714 1.00 . A A . 1 MET HE1 1 1 16 4511 1 1 1 MET HE2 H 5.584 1.179 -3.172 1.00 . A A . 1 MET HE2 1 1 16 4512 1 1 1 MET HE3 H 6.554 2.646 -3.296 1.00 . A A . 1 MET HE3 1 1 16 4513 1 1 1 MET HG2 H 3.506 0.924 -2.977 1.00 . A A . 1 MET HG2 1 1 16 4514 1 1 1 MET HG3 H 2.275 2.152 -3.262 1.00 . A A . 1 MET HG3 1 1 16 4515 1 1 1 MET N N 1.109 0.060 0.150 1.00 . A A . 1 MET N 1 1 16 4516 1 1 1 MET O O 4.143 -0.566 -1.346 1.00 . A A . 1 MET O 1 1 16 4517 1 1 1 MET SD S 4.338 3.115 -2.565 1.00 . A A . 1 MET SD 1 1 16 4518 1 1 2 THR C C 3.237 -4.221 -2.117 1.00 . A A . 2 THR C 1 1 16 4519 1 1 2 THR CA C 3.547 -3.248 -0.985 1.00 . A A . 2 THR CA 1 1 16 4520 1 1 2 THR CB C 3.554 -4.016 0.350 1.00 . A A . 2 THR CB 1 1 16 4521 1 1 2 THR CG2 C 2.244 -4.761 0.553 1.00 . A A . 2 THR CG2 1 1 16 4522 1 1 2 THR H H 1.642 -2.342 -0.803 1.00 . A A . 2 THR H 1 1 16 4523 1 1 2 THR HA H 4.531 -2.830 -1.141 1.00 . A A . 2 THR HA 1 1 16 4524 1 1 2 THR HB H 3.677 -3.307 1.156 1.00 . A A . 2 THR HB 1 1 16 4525 1 1 2 THR HG1 H 4.401 -5.738 -0.107 1.00 . A A . 2 THR HG1 1 1 16 4526 1 1 2 THR HG21 H 2.154 -5.541 -0.188 1.00 . A A . 2 THR HG21 1 1 16 4527 1 1 2 THR HG22 H 1.418 -4.072 0.451 1.00 . A A . 2 THR HG22 1 1 16 4528 1 1 2 THR HG23 H 2.228 -5.199 1.540 1.00 . A A . 2 THR HG23 1 1 16 4529 1 1 2 THR N N 2.590 -2.149 -0.960 1.00 . A A . 2 THR N 1 1 16 4530 1 1 2 THR O O 4.139 -4.847 -2.673 1.00 . A A . 2 THR O 1 1 16 4531 1 1 2 THR OG1 O 4.645 -4.944 0.375 1.00 . A A . 2 THR OG1 1 1 16 4532 1 1 3 GLU C C 0.254 -4.729 -4.183 1.00 . A A . 3 GLU C 1 1 16 4533 1 1 3 GLU CA C 1.529 -5.241 -3.519 1.00 . A A . 3 GLU CA 1 1 16 4534 1 1 3 GLU CB C 1.300 -6.650 -2.968 1.00 . A A . 3 GLU CB 1 1 16 4535 1 1 3 GLU CD C 1.302 -7.782 -5.226 1.00 . A A . 3 GLU CD 1 1 16 4536 1 1 3 GLU CG C 0.554 -7.564 -3.925 1.00 . A A . 3 GLU CG 1 1 16 4537 1 1 3 GLU H H 1.284 -3.817 -1.972 1.00 . A A . 3 GLU H 1 1 16 4538 1 1 3 GLU HA H 2.316 -5.276 -4.257 1.00 . A A . 3 GLU HA 1 1 16 4539 1 1 3 GLU HB2 H 2.258 -7.097 -2.748 1.00 . A A . 3 GLU HB2 1 1 16 4540 1 1 3 GLU HB3 H 0.729 -6.577 -2.054 1.00 . A A . 3 GLU HB3 1 1 16 4541 1 1 3 GLU HG2 H 0.406 -8.521 -3.448 1.00 . A A . 3 GLU HG2 1 1 16 4542 1 1 3 GLU HG3 H -0.406 -7.122 -4.149 1.00 . A A . 3 GLU HG3 1 1 16 4543 1 1 3 GLU N N 1.956 -4.343 -2.452 1.00 . A A . 3 GLU N 1 1 16 4544 1 1 3 GLU O O 0.261 -4.344 -5.352 1.00 . A A . 3 GLU O 1 1 16 4545 1 1 3 GLU OE1 O 2.441 -8.292 -5.176 1.00 . A A . 3 GLU OE1 1 1 16 4546 1 1 3 GLU OE2 O 0.749 -7.444 -6.293 1.00 . A A . 3 GLU OE2 1 1 16 4547 1 1 4 TYR C C -2.506 -2.924 -3.328 1.00 . A A . 4 TYR C 1 1 16 4548 1 1 4 TYR CA C -2.123 -4.266 -3.943 1.00 . A A . 4 TYR CA 1 1 16 4549 1 1 4 TYR CB C -3.213 -5.301 -3.656 1.00 . A A . 4 TYR CB 1 1 16 4550 1 1 4 TYR CD1 C -3.311 -5.195 -1.135 1.00 . A A . 4 TYR CD1 1 1 16 4551 1 1 4 TYR CD2 C -2.778 -7.283 -2.153 1.00 . A A . 4 TYR CD2 1 1 16 4552 1 1 4 TYR CE1 C -3.207 -5.772 0.115 1.00 . A A . 4 TYR CE1 1 1 16 4553 1 1 4 TYR CE2 C -2.673 -7.869 -0.907 1.00 . A A . 4 TYR CE2 1 1 16 4554 1 1 4 TYR CG C -3.098 -5.938 -2.290 1.00 . A A . 4 TYR CG 1 1 16 4555 1 1 4 TYR CZ C -2.888 -7.110 0.224 1.00 . A A . 4 TYR CZ 1 1 16 4556 1 1 4 TYR H H -0.782 -5.046 -2.503 1.00 . A A . 4 TYR H 1 1 16 4557 1 1 4 TYR HA H -2.027 -4.146 -5.012 1.00 . A A . 4 TYR HA 1 1 16 4558 1 1 4 TYR HB2 H -4.178 -4.823 -3.719 1.00 . A A . 4 TYR HB2 1 1 16 4559 1 1 4 TYR HB3 H -3.156 -6.087 -4.395 1.00 . A A . 4 TYR HB3 1 1 16 4560 1 1 4 TYR HD1 H -3.562 -4.147 -1.224 1.00 . A A . 4 TYR HD1 1 1 16 4561 1 1 4 TYR HD2 H -2.610 -7.875 -3.041 1.00 . A A . 4 TYR HD2 1 1 16 4562 1 1 4 TYR HE1 H -3.376 -5.178 1.001 1.00 . A A . 4 TYR HE1 1 1 16 4563 1 1 4 TYR HE2 H -2.423 -8.917 -0.821 1.00 . A A . 4 TYR HE2 1 1 16 4564 1 1 4 TYR HH H -1.926 -7.484 1.846 1.00 . A A . 4 TYR HH 1 1 16 4565 1 1 4 TYR N N -0.839 -4.728 -3.428 1.00 . A A . 4 TYR N 1 1 16 4566 1 1 4 TYR O O -3.310 -2.178 -3.888 1.00 . A A . 4 TYR O 1 1 16 4567 1 1 4 TYR OH O -2.785 -7.689 1.468 1.00 . A A . 4 TYR OH 1 1 16 4568 1 1 5 LYS C C -1.676 -0.179 -2.278 1.00 . A A . 5 LYS C 1 1 16 4569 1 1 5 LYS CA C -2.200 -1.369 -1.480 1.00 . A A . 5 LYS CA 1 1 16 4570 1 1 5 LYS CB C -1.566 -1.382 -0.087 1.00 . A A . 5 LYS CB 1 1 16 4571 1 1 5 LYS CD C -1.389 -2.874 1.926 1.00 . A A . 5 LYS CD 1 1 16 4572 1 1 5 LYS CE C -2.059 -3.047 3.280 1.00 . A A . 5 LYS CE 1 1 16 4573 1 1 5 LYS CG C -2.327 -2.227 0.919 1.00 . A A . 5 LYS CG 1 1 16 4574 1 1 5 LYS H H -1.291 -3.258 -1.776 1.00 . A A . 5 LYS H 1 1 16 4575 1 1 5 LYS HA H -3.271 -1.276 -1.378 1.00 . A A . 5 LYS HA 1 1 16 4576 1 1 5 LYS HB2 H -0.561 -1.770 -0.166 1.00 . A A . 5 LYS HB2 1 1 16 4577 1 1 5 LYS HB3 H -1.523 -0.368 0.285 1.00 . A A . 5 LYS HB3 1 1 16 4578 1 1 5 LYS HD2 H -1.093 -3.845 1.557 1.00 . A A . 5 LYS HD2 1 1 16 4579 1 1 5 LYS HD3 H -0.515 -2.249 2.043 1.00 . A A . 5 LYS HD3 1 1 16 4580 1 1 5 LYS HE2 H -3.034 -3.486 3.132 1.00 . A A . 5 LYS HE2 1 1 16 4581 1 1 5 LYS HE3 H -1.455 -3.707 3.884 1.00 . A A . 5 LYS HE3 1 1 16 4582 1 1 5 LYS HG2 H -3.027 -1.598 1.449 1.00 . A A . 5 LYS HG2 1 1 16 4583 1 1 5 LYS HG3 H -2.864 -3.002 0.392 1.00 . A A . 5 LYS HG3 1 1 16 4584 1 1 5 LYS HZ1 H -3.181 -1.382 3.859 1.00 . A A . 5 LYS HZ1 1 1 16 4585 1 1 5 LYS HZ2 H -1.539 -1.052 3.618 1.00 . A A . 5 LYS HZ2 1 1 16 4586 1 1 5 LYS HZ3 H -2.041 -1.873 5.008 1.00 . A A . 5 LYS HZ3 1 1 16 4587 1 1 5 LYS N N -1.924 -2.622 -2.173 1.00 . A A . 5 LYS N 1 1 16 4588 1 1 5 LYS NZ N -2.216 -1.748 3.991 1.00 . A A . 5 LYS NZ 1 1 16 4589 1 1 5 LYS O O -2.024 0.969 -2.000 1.00 . A A . 5 LYS O 1 1 16 4590 1 1 6 LEU C C -1.214 0.942 -5.256 1.00 . A A . 6 LEU C 1 1 16 4591 1 1 6 LEU CA C -0.270 0.587 -4.111 1.00 . A A . 6 LEU CA 1 1 16 4592 1 1 6 LEU CB C 1.082 0.139 -4.670 1.00 . A A . 6 LEU CB 1 1 16 4593 1 1 6 LEU CD1 C 1.197 -0.780 -6.999 1.00 . A A . 6 LEU CD1 1 1 16 4594 1 1 6 LEU CD2 C 2.185 -2.071 -5.098 1.00 . A A . 6 LEU CD2 1 1 16 4595 1 1 6 LEU CG C 1.069 -1.129 -5.525 1.00 . A A . 6 LEU CG 1 1 16 4596 1 1 6 LEU H H -0.601 -1.395 -3.445 1.00 . A A . 6 LEU H 1 1 16 4597 1 1 6 LEU HA H -0.124 1.462 -3.496 1.00 . A A . 6 LEU HA 1 1 16 4598 1 1 6 LEU HB2 H 1.471 0.943 -5.277 1.00 . A A . 6 LEU HB2 1 1 16 4599 1 1 6 LEU HB3 H 1.745 -0.031 -3.834 1.00 . A A . 6 LEU HB3 1 1 16 4600 1 1 6 LEU HD11 H 0.927 -1.637 -7.597 1.00 . A A . 6 LEU HD11 1 1 16 4601 1 1 6 LEU HD12 H 2.217 -0.498 -7.215 1.00 . A A . 6 LEU HD12 1 1 16 4602 1 1 6 LEU HD13 H 0.539 0.044 -7.233 1.00 . A A . 6 LEU HD13 1 1 16 4603 1 1 6 LEU HD21 H 3.140 -1.595 -5.263 1.00 . A A . 6 LEU HD21 1 1 16 4604 1 1 6 LEU HD22 H 2.130 -2.979 -5.679 1.00 . A A . 6 LEU HD22 1 1 16 4605 1 1 6 LEU HD23 H 2.076 -2.307 -4.050 1.00 . A A . 6 LEU HD23 1 1 16 4606 1 1 6 LEU HG H 0.127 -1.640 -5.384 1.00 . A A . 6 LEU HG 1 1 16 4607 1 1 6 LEU N N -0.840 -0.461 -3.271 1.00 . A A . 6 LEU N 1 1 16 4608 1 1 6 LEU O O -1.101 2.009 -5.859 1.00 . A A . 6 LEU O 1 1 16 4609 1 1 7 VAL C C -4.518 0.453 -6.058 1.00 . A A . 7 VAL C 1 1 16 4610 1 1 7 VAL CA C -3.113 0.260 -6.618 1.00 . A A . 7 VAL CA 1 1 16 4611 1 1 7 VAL CB C -3.125 -0.916 -7.612 1.00 . A A . 7 VAL CB 1 1 16 4612 1 1 7 VAL CG1 C -4.161 -0.683 -8.701 1.00 . A A . 7 VAL CG1 1 1 16 4613 1 1 7 VAL CG2 C -1.743 -1.119 -8.214 1.00 . A A . 7 VAL CG2 1 1 16 4614 1 1 7 VAL H H -2.186 -0.791 -5.031 1.00 . A A . 7 VAL H 1 1 16 4615 1 1 7 VAL HA H -2.822 1.153 -7.152 1.00 . A A . 7 VAL HA 1 1 16 4616 1 1 7 VAL HB H -3.396 -1.813 -7.075 1.00 . A A . 7 VAL HB 1 1 16 4617 1 1 7 VAL HG11 H -5.082 -1.181 -8.434 1.00 . A A . 7 VAL HG11 1 1 16 4618 1 1 7 VAL HG12 H -4.341 0.377 -8.807 1.00 . A A . 7 VAL HG12 1 1 16 4619 1 1 7 VAL HG13 H -3.796 -1.082 -9.637 1.00 . A A . 7 VAL HG13 1 1 16 4620 1 1 7 VAL HG21 H -1.209 -0.180 -8.216 1.00 . A A . 7 VAL HG21 1 1 16 4621 1 1 7 VAL HG22 H -1.198 -1.842 -7.627 1.00 . A A . 7 VAL HG22 1 1 16 4622 1 1 7 VAL HG23 H -1.841 -1.479 -9.228 1.00 . A A . 7 VAL HG23 1 1 16 4623 1 1 7 VAL N N -2.146 0.041 -5.548 1.00 . A A . 7 VAL N 1 1 16 4624 1 1 7 VAL O O -5.157 1.478 -6.296 1.00 . A A . 7 VAL O 1 1 16 4625 1 1 8 VAL C C -6.418 0.654 -3.701 1.00 . A A . 8 VAL C 1 1 16 4626 1 1 8 VAL CA C -6.322 -0.479 -4.716 1.00 . A A . 8 VAL CA 1 1 16 4627 1 1 8 VAL CB C -6.689 -1.805 -4.025 1.00 . A A . 8 VAL CB 1 1 16 4628 1 1 8 VAL CG1 C -8.076 -1.721 -3.408 1.00 . A A . 8 VAL CG1 1 1 16 4629 1 1 8 VAL CG2 C -6.604 -2.961 -5.011 1.00 . A A . 8 VAL CG2 1 1 16 4630 1 1 8 VAL H H -4.436 -1.331 -5.158 1.00 . A A . 8 VAL H 1 1 16 4631 1 1 8 VAL HA H -7.035 -0.301 -5.508 1.00 . A A . 8 VAL HA 1 1 16 4632 1 1 8 VAL HB H -5.977 -1.983 -3.232 1.00 . A A . 8 VAL HB 1 1 16 4633 1 1 8 VAL HG11 H -8.692 -2.519 -3.795 1.00 . A A . 8 VAL HG11 1 1 16 4634 1 1 8 VAL HG12 H -7.999 -1.812 -2.334 1.00 . A A . 8 VAL HG12 1 1 16 4635 1 1 8 VAL HG13 H -8.523 -0.770 -3.657 1.00 . A A . 8 VAL HG13 1 1 16 4636 1 1 8 VAL HG21 H -7.385 -3.675 -4.797 1.00 . A A . 8 VAL HG21 1 1 16 4637 1 1 8 VAL HG22 H -6.725 -2.584 -6.016 1.00 . A A . 8 VAL HG22 1 1 16 4638 1 1 8 VAL HG23 H -5.641 -3.443 -4.920 1.00 . A A . 8 VAL HG23 1 1 16 4639 1 1 8 VAL N N -4.993 -0.539 -5.312 1.00 . A A . 8 VAL N 1 1 16 4640 1 1 8 VAL O O -7.273 1.533 -3.813 1.00 . A A . 8 VAL O 1 1 16 4641 1 1 9 VAL C C -4.769 2.897 -2.142 1.00 . A A . 9 VAL C 1 1 16 4642 1 1 9 VAL CA C -5.518 1.655 -1.672 1.00 . A A . 9 VAL CA 1 1 16 4643 1 1 9 VAL CB C -4.866 1.134 -0.377 1.00 . A A . 9 VAL CB 1 1 16 4644 1 1 9 VAL CG1 C -5.048 2.136 0.752 1.00 . A A . 9 VAL CG1 1 1 16 4645 1 1 9 VAL CG2 C -5.444 -0.221 0.002 1.00 . A A . 9 VAL CG2 1 1 16 4646 1 1 9 VAL H H -4.877 -0.098 -2.672 1.00 . A A . 9 VAL H 1 1 16 4647 1 1 9 VAL HA H -6.541 1.924 -1.453 1.00 . A A . 9 VAL HA 1 1 16 4648 1 1 9 VAL HB H -3.807 1.014 -0.554 1.00 . A A . 9 VAL HB 1 1 16 4649 1 1 9 VAL HG11 H -4.659 1.719 1.669 1.00 . A A . 9 VAL HG11 1 1 16 4650 1 1 9 VAL HG12 H -4.518 3.047 0.516 1.00 . A A . 9 VAL HG12 1 1 16 4651 1 1 9 VAL HG13 H -6.099 2.353 0.874 1.00 . A A . 9 VAL HG13 1 1 16 4652 1 1 9 VAL HG21 H -4.940 -0.594 0.881 1.00 . A A . 9 VAL HG21 1 1 16 4653 1 1 9 VAL HG22 H -6.499 -0.116 0.208 1.00 . A A . 9 VAL HG22 1 1 16 4654 1 1 9 VAL HG23 H -5.304 -0.914 -0.814 1.00 . A A . 9 VAL HG23 1 1 16 4655 1 1 9 VAL N N -5.534 0.629 -2.708 1.00 . A A . 9 VAL N 1 1 16 4656 1 1 9 VAL O O -5.015 4.002 -1.659 1.00 . A A . 9 VAL O 1 1 16 4657 1 1 10 GLY C C -3.935 4.802 -4.389 1.00 . A A . 10 GLY C 1 1 16 4658 1 1 10 GLY CA C -3.083 3.822 -3.607 1.00 . A A . 10 GLY CA 1 1 16 4659 1 1 10 GLY H H -3.700 1.804 -3.435 1.00 . A A . 10 GLY H 1 1 16 4660 1 1 10 GLY HA2 H -2.620 4.342 -2.781 1.00 . A A . 10 GLY HA2 1 1 16 4661 1 1 10 GLY HA3 H -2.309 3.438 -4.256 1.00 . A A . 10 GLY HA3 1 1 16 4662 1 1 10 GLY N N -3.854 2.708 -3.087 1.00 . A A . 10 GLY N 1 1 16 4663 1 1 10 GLY O O -3.544 5.951 -4.591 1.00 . A A . 10 GLY O 1 1 16 4664 1 1 11 ALA C C -6.907 6.011 -4.670 1.00 . A A . 11 ALA C 1 1 16 4665 1 1 11 ALA CA C -6.012 5.192 -5.594 1.00 . A A . 11 ALA CA 1 1 16 4666 1 1 11 ALA CB C -6.857 4.344 -6.534 1.00 . A A . 11 ALA CB 1 1 16 4667 1 1 11 ALA H H -5.359 3.421 -4.637 1.00 . A A . 11 ALA H 1 1 16 4668 1 1 11 ALA HA H -5.418 5.866 -6.194 1.00 . A A . 11 ALA HA 1 1 16 4669 1 1 11 ALA HB1 H -6.952 4.849 -7.485 1.00 . A A . 11 ALA HB1 1 1 16 4670 1 1 11 ALA HB2 H -6.380 3.387 -6.681 1.00 . A A . 11 ALA HB2 1 1 16 4671 1 1 11 ALA HB3 H -7.836 4.197 -6.104 1.00 . A A . 11 ALA HB3 1 1 16 4672 1 1 11 ALA N N -5.103 4.347 -4.831 1.00 . A A . 11 ALA N 1 1 16 4673 1 1 11 ALA O O -7.171 7.185 -4.926 1.00 . A A . 11 ALA O 1 1 16 4674 1 1 12 GLY C C -8.770 5.144 -1.576 1.00 . A A . 12 GLY C 1 1 16 4675 1 1 12 GLY CA C -8.232 6.070 -2.648 1.00 . A A . 12 GLY CA 1 1 16 4676 1 1 12 GLY H H -7.127 4.447 -3.441 1.00 . A A . 12 GLY H 1 1 16 4677 1 1 12 GLY HA2 H -7.671 6.863 -2.177 1.00 . A A . 12 GLY HA2 1 1 16 4678 1 1 12 GLY HA3 H -9.064 6.502 -3.185 1.00 . A A . 12 GLY HA3 1 1 16 4679 1 1 12 GLY N N -7.371 5.384 -3.594 1.00 . A A . 12 GLY N 1 1 16 4680 1 1 12 GLY O O -8.877 5.527 -0.412 1.00 . A A . 12 GLY O 1 1 16 4681 1 1 13 GLY C C -10.916 2.303 -1.508 1.00 . A A . 13 GLY C 1 1 16 4682 1 1 13 GLY CA C -9.638 2.956 -1.020 1.00 . A A . 13 GLY CA 1 1 16 4683 1 1 13 GLY H H -9.003 3.670 -2.910 1.00 . A A . 13 GLY H 1 1 16 4684 1 1 13 GLY HA2 H -8.896 2.190 -0.852 1.00 . A A . 13 GLY HA2 1 1 16 4685 1 1 13 GLY HA3 H -9.839 3.460 -0.086 1.00 . A A . 13 GLY HA3 1 1 16 4686 1 1 13 GLY N N -9.111 3.920 -1.969 1.00 . A A . 13 GLY N 1 1 16 4687 1 1 13 GLY O O -12.013 2.802 -1.254 1.00 . A A . 13 GLY O 1 1 16 4688 1 1 14 VAL C C -12.487 -0.510 -1.701 1.00 . A A . 14 VAL C 1 1 16 4689 1 1 14 VAL CA C -11.929 0.461 -2.735 1.00 . A A . 14 VAL CA 1 1 16 4690 1 1 14 VAL CB C -11.568 -0.319 -4.014 1.00 . A A . 14 VAL CB 1 1 16 4691 1 1 14 VAL CG1 C -12.784 -1.061 -4.548 1.00 . A A . 14 VAL CG1 1 1 16 4692 1 1 14 VAL CG2 C -11.001 0.620 -5.068 1.00 . A A . 14 VAL CG2 1 1 16 4693 1 1 14 VAL H H -9.876 0.835 -2.380 1.00 . A A . 14 VAL H 1 1 16 4694 1 1 14 VAL HA H -12.692 1.185 -2.984 1.00 . A A . 14 VAL HA 1 1 16 4695 1 1 14 VAL HB H -10.810 -1.047 -3.765 1.00 . A A . 14 VAL HB 1 1 16 4696 1 1 14 VAL HG11 H -12.659 -1.242 -5.605 1.00 . A A . 14 VAL HG11 1 1 16 4697 1 1 14 VAL HG12 H -12.888 -2.003 -4.029 1.00 . A A . 14 VAL HG12 1 1 16 4698 1 1 14 VAL HG13 H -13.669 -0.462 -4.388 1.00 . A A . 14 VAL HG13 1 1 16 4699 1 1 14 VAL HG21 H -11.587 1.526 -5.097 1.00 . A A . 14 VAL HG21 1 1 16 4700 1 1 14 VAL HG22 H -9.977 0.860 -4.821 1.00 . A A . 14 VAL HG22 1 1 16 4701 1 1 14 VAL HG23 H -11.034 0.139 -6.034 1.00 . A A . 14 VAL HG23 1 1 16 4702 1 1 14 VAL N N -10.776 1.184 -2.211 1.00 . A A . 14 VAL N 1 1 16 4703 1 1 14 VAL O O -13.699 -0.688 -1.592 1.00 . A A . 14 VAL O 1 1 16 4704 1 1 15 GLY C C -11.618 -3.506 -0.258 1.00 . A A . 15 GLY C 1 1 16 4705 1 1 15 GLY CA C -12.014 -2.081 0.075 1.00 . A A . 15 GLY CA 1 1 16 4706 1 1 15 GLY H H -10.638 -0.954 -1.074 1.00 . A A . 15 GLY H 1 1 16 4707 1 1 15 GLY HA2 H -11.564 -1.804 1.017 1.00 . A A . 15 GLY HA2 1 1 16 4708 1 1 15 GLY HA3 H -13.088 -2.032 0.172 1.00 . A A . 15 GLY HA3 1 1 16 4709 1 1 15 GLY N N -11.592 -1.135 -0.942 1.00 . A A . 15 GLY N 1 1 16 4710 1 1 15 GLY O O -12.250 -4.457 0.201 1.00 . A A . 15 GLY O 1 1 16 4711 1 1 16 LYS C C -9.018 -5.474 -0.494 1.00 . A A . 16 LYS C 1 1 16 4712 1 1 16 LYS CA C -10.090 -4.973 -1.457 1.00 . A A . 16 LYS CA 1 1 16 4713 1 1 16 LYS CB C -9.531 -4.929 -2.881 1.00 . A A . 16 LYS CB 1 1 16 4714 1 1 16 LYS CD C -11.812 -5.159 -3.906 1.00 . A A . 16 LYS CD 1 1 16 4715 1 1 16 LYS CE C -11.585 -6.618 -4.270 1.00 . A A . 16 LYS CE 1 1 16 4716 1 1 16 LYS CG C -10.510 -4.376 -3.902 1.00 . A A . 16 LYS CG 1 1 16 4717 1 1 16 LYS H H -10.107 -2.857 -1.395 1.00 . A A . 16 LYS H 1 1 16 4718 1 1 16 LYS HA H -10.928 -5.653 -1.429 1.00 . A A . 16 LYS HA 1 1 16 4719 1 1 16 LYS HB2 H -8.646 -4.309 -2.888 1.00 . A A . 16 LYS HB2 1 1 16 4720 1 1 16 LYS HB3 H -9.259 -5.931 -3.179 1.00 . A A . 16 LYS HB3 1 1 16 4721 1 1 16 LYS HD2 H -12.255 -5.110 -2.922 1.00 . A A . 16 LYS HD2 1 1 16 4722 1 1 16 LYS HD3 H -12.485 -4.717 -4.627 1.00 . A A . 16 LYS HD3 1 1 16 4723 1 1 16 LYS HE2 H -11.013 -6.662 -5.184 1.00 . A A . 16 LYS HE2 1 1 16 4724 1 1 16 LYS HE3 H -11.029 -7.091 -3.474 1.00 . A A . 16 LYS HE3 1 1 16 4725 1 1 16 LYS HG2 H -10.723 -3.345 -3.662 1.00 . A A . 16 LYS HG2 1 1 16 4726 1 1 16 LYS HG3 H -10.063 -4.434 -4.884 1.00 . A A . 16 LYS HG3 1 1 16 4727 1 1 16 LYS HZ1 H -12.745 -8.355 -4.238 1.00 . A A . 16 LYS HZ1 1 1 16 4728 1 1 16 LYS HZ2 H -13.181 -7.261 -5.453 1.00 . A A . 16 LYS HZ2 1 1 16 4729 1 1 16 LYS HZ3 H -13.603 -6.951 -3.845 1.00 . A A . 16 LYS HZ3 1 1 16 4730 1 1 16 LYS N N -10.570 -3.655 -1.061 1.00 . A A . 16 LYS N 1 1 16 4731 1 1 16 LYS NZ N -12.868 -7.347 -4.465 1.00 . A A . 16 LYS NZ 1 1 16 4732 1 1 16 LYS O O -9.076 -6.609 -0.021 1.00 . A A . 16 LYS O 1 1 16 4733 1 1 17 SER C C -7.502 -5.511 2.019 1.00 . A A . 17 SER C 1 1 16 4734 1 1 17 SER CA C -6.955 -4.976 0.698 1.00 . A A . 17 SER CA 1 1 16 4735 1 1 17 SER CB C -6.060 -3.763 0.958 1.00 . A A . 17 SER CB 1 1 16 4736 1 1 17 SER H H -8.050 -3.728 -0.616 1.00 . A A . 17 SER H 1 1 16 4737 1 1 17 SER HA H -6.369 -5.750 0.225 1.00 . A A . 17 SER HA 1 1 16 4738 1 1 17 SER HB2 H -5.437 -3.587 0.095 1.00 . A A . 17 SER HB2 1 1 16 4739 1 1 17 SER HB3 H -6.678 -2.895 1.139 1.00 . A A . 17 SER HB3 1 1 16 4740 1 1 17 SER HG H -5.418 -3.311 2.753 1.00 . A A . 17 SER HG 1 1 16 4741 1 1 17 SER N N -8.041 -4.619 -0.207 1.00 . A A . 17 SER N 1 1 16 4742 1 1 17 SER O O -6.870 -6.340 2.675 1.00 . A A . 17 SER O 1 1 16 4743 1 1 17 SER OG O -5.228 -3.975 2.086 1.00 . A A . 17 SER OG 1 1 16 4744 1 1 18 HIS C C -9.388 -6.983 3.717 1.00 . A A . 18 HIS C 1 1 16 4745 1 1 18 HIS CA C -9.314 -5.461 3.643 1.00 . A A . 18 HIS CA 1 1 16 4746 1 1 18 HIS CB C -10.717 -4.864 3.758 1.00 . A A . 18 HIS CB 1 1 16 4747 1 1 18 HIS CD2 C -11.343 -2.793 5.189 1.00 . A A . 18 HIS CD2 1 1 16 4748 1 1 18 HIS CE1 C -10.227 -1.277 4.064 1.00 . A A . 18 HIS CE1 1 1 16 4749 1 1 18 HIS CG C -10.723 -3.422 4.162 1.00 . A A . 18 HIS CG 1 1 16 4750 1 1 18 HIS H H -9.135 -4.373 1.836 1.00 . A A . 18 HIS H 1 1 16 4751 1 1 18 HIS HA H -8.712 -5.102 4.464 1.00 . A A . 18 HIS HA 1 1 16 4752 1 1 18 HIS HB2 H -11.213 -4.942 2.802 1.00 . A A . 18 HIS HB2 1 1 16 4753 1 1 18 HIS HB3 H -11.278 -5.419 4.496 1.00 . A A . 18 HIS HB3 1 1 16 4754 1 1 18 HIS HD1 H -9.483 -2.586 2.679 1.00 . A A . 18 HIS HD1 1 1 16 4755 1 1 18 HIS HD2 H -11.975 -3.253 5.935 1.00 . A A . 18 HIS HD2 1 1 16 4756 1 1 18 HIS HE1 H -9.810 -0.333 3.747 1.00 . A A . 18 HIS HE1 1 1 16 4757 1 1 18 HIS N N -8.680 -5.031 2.402 1.00 . A A . 18 HIS N 1 1 16 4758 1 1 18 HIS ND1 N -10.034 -2.445 3.476 1.00 . A A . 18 HIS ND1 1 1 16 4759 1 1 18 HIS NE2 N -11.018 -1.461 5.105 1.00 . A A . 18 HIS NE2 1 1 16 4760 1 1 18 HIS O O -9.355 -7.564 4.802 1.00 . A A . 18 HIS O 1 1 16 4761 1 1 19 VAL C C -8.257 -9.719 2.931 1.00 . A A . 19 VAL C 1 1 16 4762 1 1 19 VAL CA C -9.567 -9.077 2.489 1.00 . A A . 19 VAL CA 1 1 16 4763 1 1 19 VAL CB C -9.907 -9.556 1.065 1.00 . A A . 19 VAL CB 1 1 16 4764 1 1 19 VAL CG1 C -10.146 -11.058 1.049 1.00 . A A . 19 VAL CG1 1 1 16 4765 1 1 19 VAL CG2 C -11.118 -8.809 0.527 1.00 . A A . 19 VAL CG2 1 1 16 4766 1 1 19 VAL H H -9.510 -7.104 1.725 1.00 . A A . 19 VAL H 1 1 16 4767 1 1 19 VAL HA H -10.357 -9.400 3.152 1.00 . A A . 19 VAL HA 1 1 16 4768 1 1 19 VAL HB H -9.064 -9.341 0.425 1.00 . A A . 19 VAL HB 1 1 16 4769 1 1 19 VAL HG11 H -10.298 -11.387 0.032 1.00 . A A . 19 VAL HG11 1 1 16 4770 1 1 19 VAL HG12 H -9.288 -11.563 1.468 1.00 . A A . 19 VAL HG12 1 1 16 4771 1 1 19 VAL HG13 H -11.022 -11.289 1.637 1.00 . A A . 19 VAL HG13 1 1 16 4772 1 1 19 VAL HG21 H -11.573 -8.239 1.323 1.00 . A A . 19 VAL HG21 1 1 16 4773 1 1 19 VAL HG22 H -10.806 -8.141 -0.262 1.00 . A A . 19 VAL HG22 1 1 16 4774 1 1 19 VAL HG23 H -11.834 -9.518 0.136 1.00 . A A . 19 VAL HG23 1 1 16 4775 1 1 19 VAL N N -9.489 -7.623 2.556 1.00 . A A . 19 VAL N 1 1 16 4776 1 1 19 VAL O O -8.247 -10.617 3.773 1.00 . A A . 19 VAL O 1 1 16 4777 1 1 20 TRP C C -5.125 -8.876 3.694 1.00 . A A . 20 TRP C 1 1 16 4778 1 1 20 TRP CA C -5.836 -9.781 2.693 1.00 . A A . 20 TRP CA 1 1 16 4779 1 1 20 TRP CB C -4.988 -9.931 1.430 1.00 . A A . 20 TRP CB 1 1 16 4780 1 1 20 TRP CD1 C -6.384 -10.748 -0.558 1.00 . A A . 20 TRP CD1 1 1 16 4781 1 1 20 TRP CD2 C -5.217 -12.359 0.472 1.00 . A A . 20 TRP CD2 1 1 16 4782 1 1 20 TRP CE2 C -5.936 -12.936 -0.593 1.00 . A A . 20 TRP CE2 1 1 16 4783 1 1 20 TRP CE3 C -4.410 -13.181 1.263 1.00 . A A . 20 TRP CE3 1 1 16 4784 1 1 20 TRP CG C -5.518 -10.959 0.477 1.00 . A A . 20 TRP CG 1 1 16 4785 1 1 20 TRP CH2 C -5.072 -15.077 -0.094 1.00 . A A . 20 TRP CH2 1 1 16 4786 1 1 20 TRP CZ2 C -5.870 -14.296 -0.885 1.00 . A A . 20 TRP CZ2 1 1 16 4787 1 1 20 TRP CZ3 C -4.346 -14.530 0.972 1.00 . A A . 20 TRP CZ3 1 1 16 4788 1 1 20 TRP H H -7.226 -8.535 1.694 1.00 . A A . 20 TRP H 1 1 16 4789 1 1 20 TRP HA H -5.975 -10.754 3.141 1.00 . A A . 20 TRP HA 1 1 16 4790 1 1 20 TRP HB2 H -4.953 -8.984 0.912 1.00 . A A . 20 TRP HB2 1 1 16 4791 1 1 20 TRP HB3 H -3.985 -10.221 1.711 1.00 . A A . 20 TRP HB3 1 1 16 4792 1 1 20 TRP HD1 H -6.800 -9.787 -0.816 1.00 . A A . 20 TRP HD1 1 1 16 4793 1 1 20 TRP HE1 H -7.230 -12.041 -1.981 1.00 . A A . 20 TRP HE1 1 1 16 4794 1 1 20 TRP HE3 H -3.842 -12.778 2.089 1.00 . A A . 20 TRP HE3 1 1 16 4795 1 1 20 TRP HH2 H -4.992 -16.136 -0.285 1.00 . A A . 20 TRP HH2 1 1 16 4796 1 1 20 TRP HZ2 H -6.423 -14.732 -1.704 1.00 . A A . 20 TRP HZ2 1 1 16 4797 1 1 20 TRP HZ3 H -3.727 -15.181 1.573 1.00 . A A . 20 TRP HZ3 1 1 16 4798 1 1 20 TRP N N -7.154 -9.252 2.358 1.00 . A A . 20 TRP N 1 1 16 4799 1 1 20 TRP NE1 N -6.640 -11.933 -1.205 1.00 . A A . 20 TRP NE1 1 1 16 4800 1 1 20 TRP O O -4.042 -9.202 4.180 1.00 . A A . 20 TRP O 1 1 17 4801 1 1 1 MET C C 3.045 -0.865 -1.180 1.00 . A A . 1 MET C 1 1 17 4802 1 1 1 MET CA C 1.968 0.215 -1.148 1.00 . A A . 1 MET CA 1 1 17 4803 1 1 1 MET CB C 2.605 1.592 -1.340 1.00 . A A . 1 MET CB 1 1 17 4804 1 1 1 MET CE C 4.894 3.081 -4.498 1.00 . A A . 1 MET CE 1 1 17 4805 1 1 1 MET CG C 3.184 1.806 -2.729 1.00 . A A . 1 MET CG 1 1 17 4806 1 1 1 MET H1 H 1.716 0.202 0.953 1.00 . A A . 1 MET H1 1 1 17 4807 1 1 1 MET HA H 1.271 0.035 -1.953 1.00 . A A . 1 MET HA 1 1 17 4808 1 1 1 MET HB2 H 1.856 2.350 -1.165 1.00 . A A . 1 MET HB2 1 1 17 4809 1 1 1 MET HB3 H 3.401 1.711 -0.620 1.00 . A A . 1 MET HB3 1 1 17 4810 1 1 1 MET HE1 H 4.431 3.936 -4.969 1.00 . A A . 1 MET HE1 1 1 17 4811 1 1 1 MET HE2 H 5.966 3.144 -4.612 1.00 . A A . 1 MET HE2 1 1 17 4812 1 1 1 MET HE3 H 4.535 2.175 -4.964 1.00 . A A . 1 MET HE3 1 1 17 4813 1 1 1 MET HG2 H 3.601 0.874 -3.079 1.00 . A A . 1 MET HG2 1 1 17 4814 1 1 1 MET HG3 H 2.388 2.114 -3.391 1.00 . A A . 1 MET HG3 1 1 17 4815 1 1 1 MET N N 1.225 0.170 0.106 1.00 . A A . 1 MET N 1 1 17 4816 1 1 1 MET O O 4.221 -0.578 -1.407 1.00 . A A . 1 MET O 1 1 17 4817 1 1 1 MET SD S 4.478 3.062 -2.756 1.00 . A A . 1 MET SD 1 1 17 4818 1 1 2 THR C C 3.215 -4.235 -2.044 1.00 . A A . 2 THR C 1 1 17 4819 1 1 2 THR CA C 3.566 -3.232 -0.952 1.00 . A A . 2 THR CA 1 1 17 4820 1 1 2 THR CB C 3.576 -3.954 0.409 1.00 . A A . 2 THR CB 1 1 17 4821 1 1 2 THR CG2 C 2.253 -4.662 0.656 1.00 . A A . 2 THR CG2 1 1 17 4822 1 1 2 THR H H 1.686 -2.275 -0.776 1.00 . A A . 2 THR H 1 1 17 4823 1 1 2 THR HA H 4.557 -2.844 -1.137 1.00 . A A . 2 THR HA 1 1 17 4824 1 1 2 THR HB H 3.725 -3.220 1.188 1.00 . A A . 2 THR HB 1 1 17 4825 1 1 2 THR HG1 H 5.354 -4.565 1.004 1.00 . A A . 2 THR HG1 1 1 17 4826 1 1 2 THR HG21 H 1.445 -3.950 0.582 1.00 . A A . 2 THR HG21 1 1 17 4827 1 1 2 THR HG22 H 2.257 -5.100 1.643 1.00 . A A . 2 THR HG22 1 1 17 4828 1 1 2 THR HG23 H 2.117 -5.439 -0.083 1.00 . A A . 2 THR HG23 1 1 17 4829 1 1 2 THR N N 2.636 -2.109 -0.951 1.00 . A A . 2 THR N 1 1 17 4830 1 1 2 THR O O 4.093 -4.903 -2.590 1.00 . A A . 2 THR O 1 1 17 4831 1 1 2 THR OG1 O 4.646 -4.904 0.451 1.00 . A A . 2 THR OG1 1 1 17 4832 1 1 3 GLU C C 0.190 -4.738 -4.050 1.00 . A A . 3 GLU C 1 1 17 4833 1 1 3 GLU CA C 1.462 -5.258 -3.387 1.00 . A A . 3 GLU CA 1 1 17 4834 1 1 3 GLU CB C 1.208 -6.641 -2.785 1.00 . A A . 3 GLU CB 1 1 17 4835 1 1 3 GLU CD C 1.148 -7.848 -5.003 1.00 . A A . 3 GLU CD 1 1 17 4836 1 1 3 GLU CG C 0.425 -7.569 -3.699 1.00 . A A . 3 GLU CG 1 1 17 4837 1 1 3 GLU H H 1.275 -3.775 -1.888 1.00 . A A . 3 GLU H 1 1 17 4838 1 1 3 GLU HA H 2.236 -5.339 -4.135 1.00 . A A . 3 GLU HA 1 1 17 4839 1 1 3 GLU HB2 H 2.158 -7.105 -2.563 1.00 . A A . 3 GLU HB2 1 1 17 4840 1 1 3 GLU HB3 H 0.652 -6.524 -1.866 1.00 . A A . 3 GLU HB3 1 1 17 4841 1 1 3 GLU HG2 H 0.264 -8.506 -3.188 1.00 . A A . 3 GLU HG2 1 1 17 4842 1 1 3 GLU HG3 H -0.528 -7.113 -3.923 1.00 . A A . 3 GLU HG3 1 1 17 4843 1 1 3 GLU N N 1.928 -4.335 -2.359 1.00 . A A . 3 GLU N 1 1 17 4844 1 1 3 GLU O O 0.189 -4.393 -5.232 1.00 . A A . 3 GLU O 1 1 17 4845 1 1 3 GLU OE1 O 1.309 -6.905 -5.806 1.00 . A A . 3 GLU OE1 1 1 17 4846 1 1 3 GLU OE2 O 1.552 -9.010 -5.220 1.00 . A A . 3 GLU OE2 1 1 17 4847 1 1 4 TYR C C -2.513 -2.838 -3.219 1.00 . A A . 4 TYR C 1 1 17 4848 1 1 4 TYR CA C -2.171 -4.210 -3.793 1.00 . A A . 4 TYR CA 1 1 17 4849 1 1 4 TYR CB C -3.281 -5.207 -3.455 1.00 . A A . 4 TYR CB 1 1 17 4850 1 1 4 TYR CD1 C -3.339 -5.012 -0.938 1.00 . A A . 4 TYR CD1 1 1 17 4851 1 1 4 TYR CD2 C -2.872 -7.147 -1.891 1.00 . A A . 4 TYR CD2 1 1 17 4852 1 1 4 TYR CE1 C -3.230 -5.549 0.330 1.00 . A A . 4 TYR CE1 1 1 17 4853 1 1 4 TYR CE2 C -2.763 -7.692 -0.626 1.00 . A A . 4 TYR CE2 1 1 17 4854 1 1 4 TYR CG C -3.162 -5.799 -2.069 1.00 . A A . 4 TYR CG 1 1 17 4855 1 1 4 TYR CZ C -2.942 -6.890 0.481 1.00 . A A . 4 TYR CZ 1 1 17 4856 1 1 4 TYR H H -0.828 -4.974 -2.346 1.00 . A A . 4 TYR H 1 1 17 4857 1 1 4 TYR HA H -2.089 -4.128 -4.867 1.00 . A A . 4 TYR HA 1 1 17 4858 1 1 4 TYR HB2 H -4.236 -4.708 -3.520 1.00 . A A . 4 TYR HB2 1 1 17 4859 1 1 4 TYR HB3 H -3.255 -6.019 -4.166 1.00 . A A . 4 TYR HB3 1 1 17 4860 1 1 4 TYR HD1 H -3.565 -3.963 -1.059 1.00 . A A . 4 TYR HD1 1 1 17 4861 1 1 4 TYR HD2 H -2.732 -7.773 -2.760 1.00 . A A . 4 TYR HD2 1 1 17 4862 1 1 4 TYR HE1 H -3.371 -4.921 1.197 1.00 . A A . 4 TYR HE1 1 1 17 4863 1 1 4 TYR HE2 H -2.537 -8.742 -0.508 1.00 . A A . 4 TYR HE2 1 1 17 4864 1 1 4 TYR HH H -2.027 -7.114 2.157 1.00 . A A . 4 TYR HH 1 1 17 4865 1 1 4 TYR N N -0.891 -4.685 -3.281 1.00 . A A . 4 TYR N 1 1 17 4866 1 1 4 TYR O O -3.307 -2.092 -3.792 1.00 . A A . 4 TYR O 1 1 17 4867 1 1 4 TYR OH O -2.834 -7.429 1.743 1.00 . A A . 4 TYR OH 1 1 17 4868 1 1 5 LYS C C -1.599 -0.081 -2.275 1.00 . A A . 5 LYS C 1 1 17 4869 1 1 5 LYS CA C -2.141 -1.229 -1.431 1.00 . A A . 5 LYS CA 1 1 17 4870 1 1 5 LYS CB C -1.488 -1.211 -0.047 1.00 . A A . 5 LYS CB 1 1 17 4871 1 1 5 LYS CD C -1.316 -2.627 2.021 1.00 . A A . 5 LYS CD 1 1 17 4872 1 1 5 LYS CE C -1.977 -2.735 3.387 1.00 . A A . 5 LYS CE 1 1 17 4873 1 1 5 LYS CG C -2.252 -2.007 0.997 1.00 . A A . 5 LYS CG 1 1 17 4874 1 1 5 LYS H H -1.282 -3.148 -1.675 1.00 . A A . 5 LYS H 1 1 17 4875 1 1 5 LYS HA H -3.207 -1.105 -1.318 1.00 . A A . 5 LYS HA 1 1 17 4876 1 1 5 LYS HB2 H -0.493 -1.622 -0.126 1.00 . A A . 5 LYS HB2 1 1 17 4877 1 1 5 LYS HB3 H -1.419 -0.187 0.292 1.00 . A A . 5 LYS HB3 1 1 17 4878 1 1 5 LYS HD2 H -1.038 -3.616 1.690 1.00 . A A . 5 LYS HD2 1 1 17 4879 1 1 5 LYS HD3 H -0.432 -2.011 2.106 1.00 . A A . 5 LYS HD3 1 1 17 4880 1 1 5 LYS HE2 H -2.970 -3.139 3.261 1.00 . A A . 5 LYS HE2 1 1 17 4881 1 1 5 LYS HE3 H -1.393 -3.402 4.003 1.00 . A A . 5 LYS HE3 1 1 17 4882 1 1 5 LYS HG2 H -2.941 -1.349 1.506 1.00 . A A . 5 LYS HG2 1 1 17 4883 1 1 5 LYS HG3 H -2.803 -2.795 0.503 1.00 . A A . 5 LYS HG3 1 1 17 4884 1 1 5 LYS HZ1 H -2.938 -0.918 3.759 1.00 . A A . 5 LYS HZ1 1 1 17 4885 1 1 5 LYS HZ2 H -1.250 -0.825 3.820 1.00 . A A . 5 LYS HZ2 1 1 17 4886 1 1 5 LYS HZ3 H -2.104 -1.537 5.094 1.00 . A A . 5 LYS HZ3 1 1 17 4887 1 1 5 LYS N N -1.905 -2.511 -2.084 1.00 . A A . 5 LYS N 1 1 17 4888 1 1 5 LYS NZ N -2.075 -1.411 4.062 1.00 . A A . 5 LYS NZ 1 1 17 4889 1 1 5 LYS O O -1.911 1.085 -2.030 1.00 . A A . 5 LYS O 1 1 17 4890 1 1 6 LEU C C -1.151 0.924 -5.299 1.00 . A A . 6 LEU C 1 1 17 4891 1 1 6 LEU CA C -0.202 0.586 -4.154 1.00 . A A . 6 LEU CA 1 1 17 4892 1 1 6 LEU CB C 1.132 0.088 -4.713 1.00 . A A . 6 LEU CB 1 1 17 4893 1 1 6 LEU CD1 C 1.196 -0.913 -7.010 1.00 . A A . 6 LEU CD1 1 1 17 4894 1 1 6 LEU CD2 C 2.177 -2.162 -5.077 1.00 . A A . 6 LEU CD2 1 1 17 4895 1 1 6 LEU CG C 1.078 -1.208 -5.523 1.00 . A A . 6 LEU CG 1 1 17 4896 1 1 6 LEU H H -0.574 -1.362 -3.417 1.00 . A A . 6 LEU H 1 1 17 4897 1 1 6 LEU HA H -0.028 1.479 -3.572 1.00 . A A . 6 LEU HA 1 1 17 4898 1 1 6 LEU HB2 H 1.533 0.860 -5.351 1.00 . A A . 6 LEU HB2 1 1 17 4899 1 1 6 LEU HB3 H 1.801 -0.070 -3.878 1.00 . A A . 6 LEU HB3 1 1 17 4900 1 1 6 LEU HD11 H 2.221 -0.669 -7.248 1.00 . A A . 6 LEU HD11 1 1 17 4901 1 1 6 LEU HD12 H 0.559 -0.078 -7.263 1.00 . A A . 6 LEU HD12 1 1 17 4902 1 1 6 LEU HD13 H 0.891 -1.782 -7.575 1.00 . A A . 6 LEU HD13 1 1 17 4903 1 1 6 LEU HD21 H 3.118 -1.633 -5.039 1.00 . A A . 6 LEU HD21 1 1 17 4904 1 1 6 LEU HD22 H 2.251 -2.979 -5.780 1.00 . A A . 6 LEU HD22 1 1 17 4905 1 1 6 LEU HD23 H 1.941 -2.550 -4.097 1.00 . A A . 6 LEU HD23 1 1 17 4906 1 1 6 LEU HG H 0.126 -1.691 -5.354 1.00 . A A . 6 LEU HG 1 1 17 4907 1 1 6 LEU N N -0.786 -0.417 -3.271 1.00 . A A . 6 LEU N 1 1 17 4908 1 1 6 LEU O O -1.017 1.964 -5.945 1.00 . A A . 6 LEU O 1 1 17 4909 1 1 7 VAL C C -4.481 0.487 -6.039 1.00 . A A . 7 VAL C 1 1 17 4910 1 1 7 VAL CA C -3.087 0.245 -6.609 1.00 . A A . 7 VAL CA 1 1 17 4911 1 1 7 VAL CB C -3.138 -0.962 -7.564 1.00 . A A . 7 VAL CB 1 1 17 4912 1 1 7 VAL CG1 C -4.182 -0.742 -8.648 1.00 . A A . 7 VAL CG1 1 1 17 4913 1 1 7 VAL CG2 C -1.768 -1.215 -8.175 1.00 . A A . 7 VAL CG2 1 1 17 4914 1 1 7 VAL H H -2.168 -0.770 -4.995 1.00 . A A . 7 VAL H 1 1 17 4915 1 1 7 VAL HA H -2.785 1.113 -7.176 1.00 . A A . 7 VAL HA 1 1 17 4916 1 1 7 VAL HB H -3.421 -1.835 -6.994 1.00 . A A . 7 VAL HB 1 1 17 4917 1 1 7 VAL HG11 H -3.840 -1.185 -9.572 1.00 . A A . 7 VAL HG11 1 1 17 4918 1 1 7 VAL HG12 H -5.113 -1.202 -8.350 1.00 . A A . 7 VAL HG12 1 1 17 4919 1 1 7 VAL HG13 H -4.334 0.317 -8.792 1.00 . A A . 7 VAL HG13 1 1 17 4920 1 1 7 VAL HG21 H -1.212 -0.291 -8.208 1.00 . A A . 7 VAL HG21 1 1 17 4921 1 1 7 VAL HG22 H -1.235 -1.937 -7.575 1.00 . A A . 7 VAL HG22 1 1 17 4922 1 1 7 VAL HG23 H -1.886 -1.599 -9.178 1.00 . A A . 7 VAL HG23 1 1 17 4923 1 1 7 VAL N N -2.113 0.039 -5.544 1.00 . A A . 7 VAL N 1 1 17 4924 1 1 7 VAL O O -5.099 1.519 -6.300 1.00 . A A . 7 VAL O 1 1 17 4925 1 1 8 VAL C C -6.343 0.793 -3.656 1.00 . A A . 8 VAL C 1 1 17 4926 1 1 8 VAL CA C -6.290 -0.362 -4.650 1.00 . A A . 8 VAL CA 1 1 17 4927 1 1 8 VAL CB C -6.685 -1.664 -3.929 1.00 . A A . 8 VAL CB 1 1 17 4928 1 1 8 VAL CG1 C -8.053 -1.521 -3.279 1.00 . A A . 8 VAL CG1 1 1 17 4929 1 1 8 VAL CG2 C -6.667 -2.836 -4.899 1.00 . A A . 8 VAL CG2 1 1 17 4930 1 1 8 VAL H H -4.429 -1.271 -5.088 1.00 . A A . 8 VAL H 1 1 17 4931 1 1 8 VAL HA H -7.007 -0.179 -5.438 1.00 . A A . 8 VAL HA 1 1 17 4932 1 1 8 VAL HB H -5.960 -1.856 -3.152 1.00 . A A . 8 VAL HB 1 1 17 4933 1 1 8 VAL HG11 H -7.979 -0.860 -2.428 1.00 . A A . 8 VAL HG11 1 1 17 4934 1 1 8 VAL HG12 H -8.751 -1.113 -3.995 1.00 . A A . 8 VAL HG12 1 1 17 4935 1 1 8 VAL HG13 H -8.399 -2.490 -2.951 1.00 . A A . 8 VAL HG13 1 1 17 4936 1 1 8 VAL HG21 H -6.636 -3.762 -4.345 1.00 . A A . 8 VAL HG21 1 1 17 4937 1 1 8 VAL HG22 H -7.557 -2.811 -5.509 1.00 . A A . 8 VAL HG22 1 1 17 4938 1 1 8 VAL HG23 H -5.795 -2.766 -5.533 1.00 . A A . 8 VAL HG23 1 1 17 4939 1 1 8 VAL N N -4.970 -0.471 -5.259 1.00 . A A . 8 VAL N 1 1 17 4940 1 1 8 VAL O O -7.165 1.700 -3.784 1.00 . A A . 8 VAL O 1 1 17 4941 1 1 9 VAL C C -4.652 3.020 -2.156 1.00 . A A . 9 VAL C 1 1 17 4942 1 1 9 VAL CA C -5.404 1.796 -1.647 1.00 . A A . 9 VAL CA 1 1 17 4943 1 1 9 VAL CB C -4.726 1.290 -0.359 1.00 . A A . 9 VAL CB 1 1 17 4944 1 1 9 VAL CG1 C -4.866 2.315 0.756 1.00 . A A . 9 VAL CG1 1 1 17 4945 1 1 9 VAL CG2 C -5.313 -0.050 0.060 1.00 . A A . 9 VAL CG2 1 1 17 4946 1 1 9 VAL H H -4.830 0.003 -2.614 1.00 . A A . 9 VAL H 1 1 17 4947 1 1 9 VAL HA H -6.417 2.083 -1.406 1.00 . A A . 9 VAL HA 1 1 17 4948 1 1 9 VAL HB H -3.674 1.152 -0.561 1.00 . A A . 9 VAL HB 1 1 17 4949 1 1 9 VAL HG11 H -5.545 3.095 0.444 1.00 . A A . 9 VAL HG11 1 1 17 4950 1 1 9 VAL HG12 H -5.253 1.833 1.642 1.00 . A A . 9 VAL HG12 1 1 17 4951 1 1 9 VAL HG13 H -3.899 2.745 0.973 1.00 . A A . 9 VAL HG13 1 1 17 4952 1 1 9 VAL HG21 H -5.203 -0.759 -0.747 1.00 . A A . 9 VAL HG21 1 1 17 4953 1 1 9 VAL HG22 H -4.791 -0.413 0.933 1.00 . A A . 9 VAL HG22 1 1 17 4954 1 1 9 VAL HG23 H -6.361 0.072 0.292 1.00 . A A . 9 VAL HG23 1 1 17 4955 1 1 9 VAL N N -5.460 0.752 -2.663 1.00 . A A . 9 VAL N 1 1 17 4956 1 1 9 VAL O O -4.873 4.137 -1.690 1.00 . A A . 9 VAL O 1 1 17 4957 1 1 10 GLY C C -3.846 4.872 -4.458 1.00 . A A . 10 GLY C 1 1 17 4958 1 1 10 GLY CA C -2.988 3.897 -3.677 1.00 . A A . 10 GLY CA 1 1 17 4959 1 1 10 GLY H H -3.625 1.890 -3.452 1.00 . A A . 10 GLY H 1 1 17 4960 1 1 10 GLY HA2 H -2.501 4.427 -2.872 1.00 . A A . 10 GLY HA2 1 1 17 4961 1 1 10 GLY HA3 H -2.234 3.491 -4.335 1.00 . A A . 10 GLY HA3 1 1 17 4962 1 1 10 GLY N N -3.760 2.802 -3.118 1.00 . A A . 10 GLY N 1 1 17 4963 1 1 10 GLY O O -3.448 6.014 -4.687 1.00 . A A . 10 GLY O 1 1 17 4964 1 1 11 ALA C C -6.881 6.027 -4.705 1.00 . A A . 11 ALA C 1 1 17 4965 1 1 11 ALA CA C -5.942 5.261 -5.631 1.00 . A A . 11 ALA CA 1 1 17 4966 1 1 11 ALA CB C -6.741 4.417 -6.614 1.00 . A A . 11 ALA CB 1 1 17 4967 1 1 11 ALA H H -5.287 3.500 -4.657 1.00 . A A . 11 ALA H 1 1 17 4968 1 1 11 ALA HA H -5.354 5.969 -6.197 1.00 . A A . 11 ALA HA 1 1 17 4969 1 1 11 ALA HB1 H -7.745 4.284 -6.239 1.00 . A A . 11 ALA HB1 1 1 17 4970 1 1 11 ALA HB2 H -6.776 4.916 -7.570 1.00 . A A . 11 ALA HB2 1 1 17 4971 1 1 11 ALA HB3 H -6.268 3.453 -6.727 1.00 . A A . 11 ALA HB3 1 1 17 4972 1 1 11 ALA N N -5.026 4.420 -4.871 1.00 . A A . 11 ALA N 1 1 17 4973 1 1 11 ALA O O -7.098 7.226 -4.878 1.00 . A A . 11 ALA O 1 1 17 4974 1 1 12 GLY C C -8.790 5.015 -1.682 1.00 . A A . 12 GLY C 1 1 17 4975 1 1 12 GLY CA C -8.345 5.958 -2.782 1.00 . A A . 12 GLY CA 1 1 17 4976 1 1 12 GLY H H -7.226 4.374 -3.630 1.00 . A A . 12 GLY H 1 1 17 4977 1 1 12 GLY HA2 H -7.852 6.809 -2.336 1.00 . A A . 12 GLY HA2 1 1 17 4978 1 1 12 GLY HA3 H -9.217 6.302 -3.319 1.00 . A A . 12 GLY HA3 1 1 17 4979 1 1 12 GLY N N -7.436 5.327 -3.720 1.00 . A A . 12 GLY N 1 1 17 4980 1 1 12 GLY O O -8.871 5.404 -0.517 1.00 . A A . 12 GLY O 1 1 17 4981 1 1 13 GLY C C -10.783 2.073 -1.501 1.00 . A A . 13 GLY C 1 1 17 4982 1 1 13 GLY CA C -9.517 2.791 -1.075 1.00 . A A . 13 GLY CA 1 1 17 4983 1 1 13 GLY H H -8.997 3.518 -2.994 1.00 . A A . 13 GLY H 1 1 17 4984 1 1 13 GLY HA2 H -8.732 2.062 -0.937 1.00 . A A . 13 GLY HA2 1 1 17 4985 1 1 13 GLY HA3 H -9.700 3.291 -0.136 1.00 . A A . 13 GLY HA3 1 1 17 4986 1 1 13 GLY N N -9.080 3.772 -2.051 1.00 . A A . 13 GLY N 1 1 17 4987 1 1 13 GLY O O -11.890 2.526 -1.209 1.00 . A A . 13 GLY O 1 1 17 4988 1 1 14 VAL C C -12.246 -0.792 -1.583 1.00 . A A . 14 VAL C 1 1 17 4989 1 1 14 VAL CA C -11.760 0.170 -2.661 1.00 . A A . 14 VAL CA 1 1 17 4990 1 1 14 VAL CB C -11.408 -0.633 -3.928 1.00 . A A . 14 VAL CB 1 1 17 4991 1 1 14 VAL CG1 C -12.652 -1.287 -4.508 1.00 . A A . 14 VAL CG1 1 1 17 4992 1 1 14 VAL CG2 C -10.739 0.265 -4.958 1.00 . A A . 14 VAL CG2 1 1 17 4993 1 1 14 VAL H H -9.713 0.640 -2.396 1.00 . A A . 14 VAL H 1 1 17 4994 1 1 14 VAL HA H -12.558 0.856 -2.905 1.00 . A A . 14 VAL HA 1 1 17 4995 1 1 14 VAL HB H -10.712 -1.412 -3.655 1.00 . A A . 14 VAL HB 1 1 17 4996 1 1 14 VAL HG11 H -13.336 -0.523 -4.847 1.00 . A A . 14 VAL HG11 1 1 17 4997 1 1 14 VAL HG12 H -12.374 -1.917 -5.340 1.00 . A A . 14 VAL HG12 1 1 17 4998 1 1 14 VAL HG13 H -13.132 -1.886 -3.748 1.00 . A A . 14 VAL HG13 1 1 17 4999 1 1 14 VAL HG21 H -10.503 -0.312 -5.840 1.00 . A A . 14 VAL HG21 1 1 17 5000 1 1 14 VAL HG22 H -11.408 1.070 -5.222 1.00 . A A . 14 VAL HG22 1 1 17 5001 1 1 14 VAL HG23 H -9.829 0.675 -4.543 1.00 . A A . 14 VAL HG23 1 1 17 5002 1 1 14 VAL N N -10.621 0.951 -2.194 1.00 . A A . 14 VAL N 1 1 17 5003 1 1 14 VAL O O -13.446 -1.024 -1.438 1.00 . A A . 14 VAL O 1 1 17 5004 1 1 15 GLY C C -11.206 -3.695 -0.069 1.00 . A A . 15 GLY C 1 1 17 5005 1 1 15 GLY CA C -11.658 -2.280 0.230 1.00 . A A . 15 GLY CA 1 1 17 5006 1 1 15 GLY H H -10.364 -1.127 -0.987 1.00 . A A . 15 GLY H 1 1 17 5007 1 1 15 GLY HA2 H -11.197 -1.953 1.151 1.00 . A A . 15 GLY HA2 1 1 17 5008 1 1 15 GLY HA3 H -12.731 -2.275 0.355 1.00 . A A . 15 GLY HA3 1 1 17 5009 1 1 15 GLY N N -11.305 -1.349 -0.826 1.00 . A A . 15 GLY N 1 1 17 5010 1 1 15 GLY O O -11.716 -4.654 0.511 1.00 . A A . 15 GLY O 1 1 17 5011 1 1 16 LYS C C -8.776 -5.672 -0.291 1.00 . A A . 16 LYS C 1 1 17 5012 1 1 16 LYS CA C -9.726 -5.137 -1.357 1.00 . A A . 16 LYS CA 1 1 17 5013 1 1 16 LYS CB C -9.004 -5.053 -2.703 1.00 . A A . 16 LYS CB 1 1 17 5014 1 1 16 LYS CD C -11.150 -5.238 -3.996 1.00 . A A . 16 LYS CD 1 1 17 5015 1 1 16 LYS CE C -10.884 -6.687 -4.375 1.00 . A A . 16 LYS CE 1 1 17 5016 1 1 16 LYS CG C -9.856 -4.463 -3.814 1.00 . A A . 16 LYS CG 1 1 17 5017 1 1 16 LYS H H -9.880 -3.026 -1.408 1.00 . A A . 16 LYS H 1 1 17 5018 1 1 16 LYS HA H -10.563 -5.813 -1.448 1.00 . A A . 16 LYS HA 1 1 17 5019 1 1 16 LYS HB2 H -8.124 -4.438 -2.588 1.00 . A A . 16 LYS HB2 1 1 17 5020 1 1 16 LYS HB3 H -8.702 -6.047 -2.999 1.00 . A A . 16 LYS HB3 1 1 17 5021 1 1 16 LYS HD2 H -11.705 -5.217 -3.070 1.00 . A A . 16 LYS HD2 1 1 17 5022 1 1 16 LYS HD3 H -11.733 -4.771 -4.777 1.00 . A A . 16 LYS HD3 1 1 17 5023 1 1 16 LYS HE2 H -10.181 -6.707 -5.193 1.00 . A A . 16 LYS HE2 1 1 17 5024 1 1 16 LYS HE3 H -10.460 -7.196 -3.523 1.00 . A A . 16 LYS HE3 1 1 17 5025 1 1 16 LYS HG2 H -10.094 -3.439 -3.569 1.00 . A A . 16 LYS HG2 1 1 17 5026 1 1 16 LYS HG3 H -9.297 -4.493 -4.739 1.00 . A A . 16 LYS HG3 1 1 17 5027 1 1 16 LYS HZ1 H -12.602 -6.862 -5.551 1.00 . A A . 16 LYS HZ1 1 1 17 5028 1 1 16 LYS HZ2 H -12.781 -7.468 -3.982 1.00 . A A . 16 LYS HZ2 1 1 17 5029 1 1 16 LYS HZ3 H -11.904 -8.345 -5.133 1.00 . A A . 16 LYS HZ3 1 1 17 5030 1 1 16 LYS N N -10.247 -3.829 -0.980 1.00 . A A . 16 LYS N 1 1 17 5031 1 1 16 LYS NZ N -12.130 -7.389 -4.790 1.00 . A A . 16 LYS NZ 1 1 17 5032 1 1 16 LYS O O -8.897 -6.817 0.145 1.00 . A A . 16 LYS O 1 1 17 5033 1 1 17 SER C C -7.556 -5.781 2.378 1.00 . A A . 17 SER C 1 1 17 5034 1 1 17 SER CA C -6.858 -5.226 1.140 1.00 . A A . 17 SER CA 1 1 17 5035 1 1 17 SER CB C -5.984 -4.030 1.526 1.00 . A A . 17 SER CB 1 1 17 5036 1 1 17 SER H H -7.785 -3.936 -0.259 1.00 . A A . 17 SER H 1 1 17 5037 1 1 17 SER HA H -6.231 -5.997 0.718 1.00 . A A . 17 SER HA 1 1 17 5038 1 1 17 SER HB2 H -5.287 -3.825 0.728 1.00 . A A . 17 SER HB2 1 1 17 5039 1 1 17 SER HB3 H -6.612 -3.166 1.687 1.00 . A A . 17 SER HB3 1 1 17 5040 1 1 17 SER HG H -5.781 -4.038 3.474 1.00 . A A . 17 SER HG 1 1 17 5041 1 1 17 SER N N -7.830 -4.836 0.126 1.00 . A A . 17 SER N 1 1 17 5042 1 1 17 SER O O -7.016 -6.639 3.077 1.00 . A A . 17 SER O 1 1 17 5043 1 1 17 SER OG O -5.255 -4.293 2.712 1.00 . A A . 17 SER OG 1 1 17 5044 1 1 18 HIS C C -9.687 -7.247 3.795 1.00 . A A . 18 HIS C 1 1 17 5045 1 1 18 HIS CA C -9.533 -5.729 3.797 1.00 . A A . 18 HIS CA 1 1 17 5046 1 1 18 HIS CB C -10.911 -5.066 3.800 1.00 . A A . 18 HIS CB 1 1 17 5047 1 1 18 HIS CD2 C -11.646 -2.956 5.118 1.00 . A A . 18 HIS CD2 1 1 17 5048 1 1 18 HIS CE1 C -10.205 -1.534 4.278 1.00 . A A . 18 HIS CE1 1 1 17 5049 1 1 18 HIS CG C -10.883 -3.630 4.226 1.00 . A A . 18 HIS CG 1 1 17 5050 1 1 18 HIS H H -9.136 -4.601 2.049 1.00 . A A . 18 HIS H 1 1 17 5051 1 1 18 HIS HA H -9.000 -5.435 4.688 1.00 . A A . 18 HIS HA 1 1 17 5052 1 1 18 HIS HB2 H -11.326 -5.108 2.804 1.00 . A A . 18 HIS HB2 1 1 17 5053 1 1 18 HIS HB3 H -11.560 -5.601 4.478 1.00 . A A . 18 HIS HB3 1 1 17 5054 1 1 18 HIS HD1 H -9.302 -2.894 3.045 1.00 . A A . 18 HIS HD1 1 1 17 5055 1 1 18 HIS HD2 H -12.453 -3.365 5.711 1.00 . A A . 18 HIS HD2 1 1 17 5056 1 1 18 HIS HE1 H -9.657 -0.627 4.073 1.00 . A A . 18 HIS HE1 1 1 17 5057 1 1 18 HIS N N -8.760 -5.283 2.643 1.00 . A A . 18 HIS N 1 1 17 5058 1 1 18 HIS ND1 N -9.991 -2.711 3.716 1.00 . A A . 18 HIS ND1 1 1 17 5059 1 1 18 HIS NE2 N -11.205 -1.656 5.132 1.00 . A A . 18 HIS NE2 1 1 17 5060 1 1 18 HIS O O -9.804 -7.871 4.849 1.00 . A A . 18 HIS O 1 1 17 5061 1 1 19 VAL C C -8.549 -9.998 2.892 1.00 . A A . 19 VAL C 1 1 17 5062 1 1 19 VAL CA C -9.824 -9.280 2.463 1.00 . A A . 19 VAL CA 1 1 17 5063 1 1 19 VAL CB C -10.159 -9.674 1.013 1.00 . A A . 19 VAL CB 1 1 17 5064 1 1 19 VAL CG1 C -10.281 -11.185 0.884 1.00 . A A . 19 VAL CG1 1 1 17 5065 1 1 19 VAL CG2 C -11.437 -8.987 0.556 1.00 . A A . 19 VAL CG2 1 1 17 5066 1 1 19 VAL H H -9.588 -7.285 1.798 1.00 . A A . 19 VAL H 1 1 17 5067 1 1 19 VAL HA H -10.637 -9.600 3.098 1.00 . A A . 19 VAL HA 1 1 17 5068 1 1 19 VAL HB H -9.351 -9.345 0.376 1.00 . A A . 19 VAL HB 1 1 17 5069 1 1 19 VAL HG11 H -10.777 -11.428 -0.044 1.00 . A A . 19 VAL HG11 1 1 17 5070 1 1 19 VAL HG12 H -9.296 -11.628 0.894 1.00 . A A . 19 VAL HG12 1 1 17 5071 1 1 19 VAL HG13 H -10.858 -11.571 1.712 1.00 . A A . 19 VAL HG13 1 1 17 5072 1 1 19 VAL HG21 H -12.289 -9.472 1.010 1.00 . A A . 19 VAL HG21 1 1 17 5073 1 1 19 VAL HG22 H -11.413 -7.949 0.853 1.00 . A A . 19 VAL HG22 1 1 17 5074 1 1 19 VAL HG23 H -11.517 -9.053 -0.519 1.00 . A A . 19 VAL HG23 1 1 17 5075 1 1 19 VAL N N -9.685 -7.835 2.603 1.00 . A A . 19 VAL N 1 1 17 5076 1 1 19 VAL O O -8.592 -10.945 3.678 1.00 . A A . 19 VAL O 1 1 17 5077 1 1 20 TRP C C -5.400 -9.319 3.758 1.00 . A A . 20 TRP C 1 1 17 5078 1 1 20 TRP CA C -6.128 -10.141 2.700 1.00 . A A . 20 TRP CA 1 1 17 5079 1 1 20 TRP CB C -5.262 -10.261 1.445 1.00 . A A . 20 TRP CB 1 1 17 5080 1 1 20 TRP CD1 C -6.745 -10.218 -0.645 1.00 . A A . 20 TRP CD1 1 1 17 5081 1 1 20 TRP CD2 C -6.013 -12.257 -0.077 1.00 . A A . 20 TRP CD2 1 1 17 5082 1 1 20 TRP CE2 C -6.810 -12.371 -1.233 1.00 . A A . 20 TRP CE2 1 1 17 5083 1 1 20 TRP CE3 C -5.441 -13.412 0.463 1.00 . A A . 20 TRP CE3 1 1 17 5084 1 1 20 TRP CG C -5.984 -10.871 0.281 1.00 . A A . 20 TRP CG 1 1 17 5085 1 1 20 TRP CH2 C -6.478 -14.709 -1.302 1.00 . A A . 20 TRP CH2 1 1 17 5086 1 1 20 TRP CZ2 C -7.050 -13.594 -1.853 1.00 . A A . 20 TRP CZ2 1 1 17 5087 1 1 20 TRP CZ3 C -5.680 -14.625 -0.153 1.00 . A A . 20 TRP CZ3 1 1 17 5088 1 1 20 TRP H H -7.446 -8.784 1.749 1.00 . A A . 20 TRP H 1 1 17 5089 1 1 20 TRP HA H -6.314 -11.130 3.093 1.00 . A A . 20 TRP HA 1 1 17 5090 1 1 20 TRP HB2 H -4.927 -9.277 1.150 1.00 . A A . 20 TRP HB2 1 1 17 5091 1 1 20 TRP HB3 H -4.403 -10.878 1.666 1.00 . A A . 20 TRP HB3 1 1 17 5092 1 1 20 TRP HD1 H -6.920 -9.153 -0.646 1.00 . A A . 20 TRP HD1 1 1 17 5093 1 1 20 TRP HE1 H -7.820 -10.888 -2.321 1.00 . A A . 20 TRP HE1 1 1 17 5094 1 1 20 TRP HE3 H -4.824 -13.368 1.348 1.00 . A A . 20 TRP HE3 1 1 17 5095 1 1 20 TRP HH2 H -6.638 -15.677 -1.751 1.00 . A A . 20 TRP HH2 1 1 17 5096 1 1 20 TRP HZ2 H -7.662 -13.675 -2.740 1.00 . A A . 20 TRP HZ2 1 1 17 5097 1 1 20 TRP HZ3 H -5.248 -15.528 0.251 1.00 . A A . 20 TRP HZ3 1 1 17 5098 1 1 20 TRP N N -7.416 -9.542 2.371 1.00 . A A . 20 TRP N 1 1 17 5099 1 1 20 TRP NE1 N -7.246 -11.114 -1.559 1.00 . A A . 20 TRP NE1 1 1 17 5100 1 1 20 TRP O O -4.662 -9.862 4.581 1.00 . A A . 20 TRP O 1 1 18 5101 1 1 1 MET C C 3.178 -0.857 -1.252 1.00 . A A . 1 MET C 1 1 18 5102 1 1 1 MET CA C 2.056 0.174 -1.174 1.00 . A A . 1 MET CA 1 1 18 5103 1 1 1 MET CB C 2.622 1.578 -1.397 1.00 . A A . 1 MET CB 1 1 18 5104 1 1 1 MET CE C 4.734 3.121 -4.652 1.00 . A A . 1 MET CE 1 1 18 5105 1 1 1 MET CG C 3.127 1.813 -2.811 1.00 . A A . 1 MET CG 1 1 18 5106 1 1 1 MET H1 H 1.882 0.262 0.933 1.00 . A A . 1 MET H1 1 1 18 5107 1 1 1 MET HA H 1.333 -0.039 -1.947 1.00 . A A . 1 MET HA 1 1 18 5108 1 1 1 MET HB2 H 1.849 2.303 -1.189 1.00 . A A . 1 MET HB2 1 1 18 5109 1 1 1 MET HB3 H 3.444 1.735 -0.714 1.00 . A A . 1 MET HB3 1 1 18 5110 1 1 1 MET HE1 H 5.729 3.512 -4.804 1.00 . A A . 1 MET HE1 1 1 18 5111 1 1 1 MET HE2 H 4.686 2.107 -5.023 1.00 . A A . 1 MET HE2 1 1 18 5112 1 1 1 MET HE3 H 4.020 3.733 -5.182 1.00 . A A . 1 MET HE3 1 1 18 5113 1 1 1 MET HG2 H 3.578 0.901 -3.175 1.00 . A A . 1 MET HG2 1 1 18 5114 1 1 1 MET HG3 H 2.288 2.072 -3.440 1.00 . A A . 1 MET HG3 1 1 18 5115 1 1 1 MET N N 1.372 0.102 0.112 1.00 . A A . 1 MET N 1 1 18 5116 1 1 1 MET O O 4.329 -0.518 -1.529 1.00 . A A . 1 MET O 1 1 18 5117 1 1 1 MET SD S 4.349 3.135 -2.903 1.00 . A A . 1 MET SD 1 1 18 5118 1 1 2 THR C C 3.459 -4.219 -2.121 1.00 . A A . 2 THR C 1 1 18 5119 1 1 2 THR CA C 3.812 -3.197 -1.046 1.00 . A A . 2 THR CA 1 1 18 5120 1 1 2 THR CB C 3.914 -3.914 0.314 1.00 . A A . 2 THR CB 1 1 18 5121 1 1 2 THR CG2 C 2.636 -4.681 0.619 1.00 . A A . 2 THR CG2 1 1 18 5122 1 1 2 THR H H 1.901 -2.324 -0.791 1.00 . A A . 2 THR H 1 1 18 5123 1 1 2 THR HA H 4.776 -2.766 -1.275 1.00 . A A . 2 THR HA 1 1 18 5124 1 1 2 THR HB H 4.064 -3.172 1.085 1.00 . A A . 2 THR HB 1 1 18 5125 1 1 2 THR HG1 H 5.838 -4.323 0.467 1.00 . A A . 2 THR HG1 1 1 18 5126 1 1 2 THR HG21 H 1.798 -4.000 0.611 1.00 . A A . 2 THR HG21 1 1 18 5127 1 1 2 THR HG22 H 2.716 -5.141 1.592 1.00 . A A . 2 THR HG22 1 1 18 5128 1 1 2 THR HG23 H 2.487 -5.444 -0.130 1.00 . A A . 2 THR HG23 1 1 18 5129 1 1 2 THR N N 2.835 -2.117 -1.005 1.00 . A A . 2 THR N 1 1 18 5130 1 1 2 THR O O 4.338 -4.867 -2.687 1.00 . A A . 2 THR O 1 1 18 5131 1 1 2 THR OG1 O 5.028 -4.815 0.310 1.00 . A A . 2 THR OG1 1 1 18 5132 1 1 3 GLU C C 0.373 -4.841 -4.007 1.00 . A A . 3 GLU C 1 1 18 5133 1 1 3 GLU CA C 1.697 -5.301 -3.405 1.00 . A A . 3 GLU CA 1 1 18 5134 1 1 3 GLU CB C 1.536 -6.695 -2.795 1.00 . A A . 3 GLU CB 1 1 18 5135 1 1 3 GLU CD C 1.430 -7.904 -5.010 1.00 . A A . 3 GLU CD 1 1 18 5136 1 1 3 GLU CG C 0.756 -7.658 -3.674 1.00 . A A . 3 GLU CG 1 1 18 5137 1 1 3 GLU H H 1.512 -3.812 -1.912 1.00 . A A . 3 GLU H 1 1 18 5138 1 1 3 GLU HA H 2.439 -5.345 -4.188 1.00 . A A . 3 GLU HA 1 1 18 5139 1 1 3 GLU HB2 H 2.516 -7.113 -2.619 1.00 . A A . 3 GLU HB2 1 1 18 5140 1 1 3 GLU HB3 H 1.019 -6.603 -1.851 1.00 . A A . 3 GLU HB3 1 1 18 5141 1 1 3 GLU HG2 H 0.662 -8.601 -3.157 1.00 . A A . 3 GLU HG2 1 1 18 5142 1 1 3 GLU HG3 H -0.226 -7.247 -3.853 1.00 . A A . 3 GLU HG3 1 1 18 5143 1 1 3 GLU N N 2.166 -4.357 -2.397 1.00 . A A . 3 GLU N 1 1 18 5144 1 1 3 GLU O O 0.301 -4.496 -5.187 1.00 . A A . 3 GLU O 1 1 18 5145 1 1 3 GLU OE1 O 2.655 -7.681 -5.108 1.00 . A A . 3 GLU OE1 1 1 18 5146 1 1 3 GLU OE2 O 0.732 -8.320 -5.958 1.00 . A A . 3 GLU OE2 1 1 18 5147 1 1 4 TYR C C -2.376 -3.073 -3.046 1.00 . A A . 4 TYR C 1 1 18 5148 1 1 4 TYR CA C -1.997 -4.426 -3.640 1.00 . A A . 4 TYR CA 1 1 18 5149 1 1 4 TYR CB C -3.041 -5.475 -3.255 1.00 . A A . 4 TYR CB 1 1 18 5150 1 1 4 TYR CD1 C -2.992 -5.291 -0.737 1.00 . A A . 4 TYR CD1 1 1 18 5151 1 1 4 TYR CD2 C -2.466 -7.397 -1.722 1.00 . A A . 4 TYR CD2 1 1 18 5152 1 1 4 TYR CE1 C -2.798 -5.826 0.522 1.00 . A A . 4 TYR CE1 1 1 18 5153 1 1 4 TYR CE2 C -2.271 -7.941 -0.466 1.00 . A A . 4 TYR CE2 1 1 18 5154 1 1 4 TYR CG C -2.829 -6.065 -1.879 1.00 . A A . 4 TYR CG 1 1 18 5155 1 1 4 TYR CZ C -2.438 -7.151 0.652 1.00 . A A . 4 TYR CZ 1 1 18 5156 1 1 4 TYR H H -0.554 -5.126 -2.259 1.00 . A A . 4 TYR H 1 1 18 5157 1 1 4 TYR HA H -1.968 -4.339 -4.716 1.00 . A A . 4 TYR HA 1 1 18 5158 1 1 4 TYR HB2 H -4.020 -5.023 -3.273 1.00 . A A . 4 TYR HB2 1 1 18 5159 1 1 4 TYR HB3 H -3.010 -6.284 -3.971 1.00 . A A . 4 TYR HB3 1 1 18 5160 1 1 4 TYR HD1 H -3.275 -4.254 -0.843 1.00 . A A . 4 TYR HD1 1 1 18 5161 1 1 4 TYR HD2 H -2.335 -8.013 -2.600 1.00 . A A . 4 TYR HD2 1 1 18 5162 1 1 4 TYR HE1 H -2.929 -5.208 1.398 1.00 . A A . 4 TYR HE1 1 1 18 5163 1 1 4 TYR HE2 H -1.989 -8.978 -0.364 1.00 . A A . 4 TYR HE2 1 1 18 5164 1 1 4 TYR HH H -2.035 -6.985 2.524 1.00 . A A . 4 TYR HH 1 1 18 5165 1 1 4 TYR N N -0.674 -4.840 -3.189 1.00 . A A . 4 TYR N 1 1 18 5166 1 1 4 TYR O O -3.228 -2.363 -3.581 1.00 . A A . 4 TYR O 1 1 18 5167 1 1 4 TYR OH O -2.245 -7.688 1.904 1.00 . A A . 4 TYR OH 1 1 18 5168 1 1 5 LYS C C -1.569 -0.278 -2.137 1.00 . A A . 5 LYS C 1 1 18 5169 1 1 5 LYS CA C -2.004 -1.453 -1.267 1.00 . A A . 5 LYS CA 1 1 18 5170 1 1 5 LYS CB C -1.279 -1.401 0.079 1.00 . A A . 5 LYS CB 1 1 18 5171 1 1 5 LYS CD C -0.922 -2.826 2.116 1.00 . A A . 5 LYS CD 1 1 18 5172 1 1 5 LYS CE C -1.489 -2.972 3.520 1.00 . A A . 5 LYS CE 1 1 18 5173 1 1 5 LYS CG C -1.944 -2.234 1.161 1.00 . A A . 5 LYS CG 1 1 18 5174 1 1 5 LYS H H -1.068 -3.330 -1.556 1.00 . A A . 5 LYS H 1 1 18 5175 1 1 5 LYS HA H -3.068 -1.385 -1.097 1.00 . A A . 5 LYS HA 1 1 18 5176 1 1 5 LYS HB2 H -0.270 -1.761 -0.054 1.00 . A A . 5 LYS HB2 1 1 18 5177 1 1 5 LYS HB3 H -1.245 -0.374 0.416 1.00 . A A . 5 LYS HB3 1 1 18 5178 1 1 5 LYS HD2 H -0.627 -3.801 1.757 1.00 . A A . 5 LYS HD2 1 1 18 5179 1 1 5 LYS HD3 H -0.058 -2.178 2.152 1.00 . A A . 5 LYS HD3 1 1 18 5180 1 1 5 LYS HE2 H -2.539 -3.211 3.447 1.00 . A A . 5 LYS HE2 1 1 18 5181 1 1 5 LYS HE3 H -0.971 -3.776 4.022 1.00 . A A . 5 LYS HE3 1 1 18 5182 1 1 5 LYS HG2 H -2.623 -1.607 1.720 1.00 . A A . 5 LYS HG2 1 1 18 5183 1 1 5 LYS HG3 H -2.496 -3.039 0.695 1.00 . A A . 5 LYS HG3 1 1 18 5184 1 1 5 LYS HZ1 H -1.460 -0.891 3.704 1.00 . A A . 5 LYS HZ1 1 1 18 5185 1 1 5 LYS HZ2 H -0.380 -1.685 4.736 1.00 . A A . 5 LYS HZ2 1 1 18 5186 1 1 5 LYS HZ3 H -2.037 -1.692 5.077 1.00 . A A . 5 LYS HZ3 1 1 18 5187 1 1 5 LYS N N -1.737 -2.722 -1.935 1.00 . A A . 5 LYS N 1 1 18 5188 1 1 5 LYS NZ N -1.331 -1.722 4.315 1.00 . A A . 5 LYS NZ 1 1 18 5189 1 1 5 LYS O O -1.938 0.868 -1.879 1.00 . A A . 5 LYS O 1 1 18 5190 1 1 6 LEU C C -1.323 0.747 -5.173 1.00 . A A . 6 LEU C 1 1 18 5191 1 1 6 LEU CA C -0.300 0.463 -4.078 1.00 . A A . 6 LEU CA 1 1 18 5192 1 1 6 LEU CB C 1.029 0.037 -4.703 1.00 . A A . 6 LEU CB 1 1 18 5193 1 1 6 LEU CD1 C 0.999 -0.932 -7.015 1.00 . A A . 6 LEU CD1 1 1 18 5194 1 1 6 LEU CD2 C 2.185 -2.138 -5.172 1.00 . A A . 6 LEU CD2 1 1 18 5195 1 1 6 LEU CG C 1.001 -1.250 -5.528 1.00 . A A . 6 LEU CG 1 1 18 5196 1 1 6 LEU H H -0.524 -1.502 -3.323 1.00 . A A . 6 LEU H 1 1 18 5197 1 1 6 LEU HA H -0.146 1.364 -3.503 1.00 . A A . 6 LEU HA 1 1 18 5198 1 1 6 LEU HB2 H 1.362 0.835 -5.349 1.00 . A A . 6 LEU HB2 1 1 18 5199 1 1 6 LEU HB3 H 1.743 -0.097 -3.903 1.00 . A A . 6 LEU HB3 1 1 18 5200 1 1 6 LEU HD11 H 0.307 -0.127 -7.210 1.00 . A A . 6 LEU HD11 1 1 18 5201 1 1 6 LEU HD12 H 0.698 -1.808 -7.570 1.00 . A A . 6 LEU HD12 1 1 18 5202 1 1 6 LEU HD13 H 1.992 -0.636 -7.321 1.00 . A A . 6 LEU HD13 1 1 18 5203 1 1 6 LEU HD21 H 3.098 -1.674 -5.515 1.00 . A A . 6 LEU HD21 1 1 18 5204 1 1 6 LEU HD22 H 2.069 -3.100 -5.648 1.00 . A A . 6 LEU HD22 1 1 18 5205 1 1 6 LEU HD23 H 2.227 -2.269 -4.100 1.00 . A A . 6 LEU HD23 1 1 18 5206 1 1 6 LEU HG H 0.094 -1.795 -5.303 1.00 . A A . 6 LEU HG 1 1 18 5207 1 1 6 LEU N N -0.784 -0.570 -3.168 1.00 . A A . 6 LEU N 1 1 18 5208 1 1 6 LEU O O -1.262 1.779 -5.842 1.00 . A A . 6 LEU O 1 1 18 5209 1 1 7 VAL C C -4.673 0.163 -5.719 1.00 . A A . 7 VAL C 1 1 18 5210 1 1 7 VAL CA C -3.303 -0.022 -6.362 1.00 . A A . 7 VAL CA 1 1 18 5211 1 1 7 VAL CB C -3.351 -1.239 -7.305 1.00 . A A . 7 VAL CB 1 1 18 5212 1 1 7 VAL CG1 C -4.461 -1.076 -8.332 1.00 . A A . 7 VAL CG1 1 1 18 5213 1 1 7 VAL CG2 C -2.006 -1.435 -7.989 1.00 . A A . 7 VAL CG2 1 1 18 5214 1 1 7 VAL H H -2.261 -0.976 -4.786 1.00 . A A . 7 VAL H 1 1 18 5215 1 1 7 VAL HA H -3.071 0.854 -6.950 1.00 . A A . 7 VAL HA 1 1 18 5216 1 1 7 VAL HB H -3.562 -2.119 -6.715 1.00 . A A . 7 VAL HB 1 1 18 5217 1 1 7 VAL HG11 H -4.417 -0.083 -8.755 1.00 . A A . 7 VAL HG11 1 1 18 5218 1 1 7 VAL HG12 H -4.338 -1.809 -9.115 1.00 . A A . 7 VAL HG12 1 1 18 5219 1 1 7 VAL HG13 H -5.418 -1.219 -7.851 1.00 . A A . 7 VAL HG13 1 1 18 5220 1 1 7 VAL HG21 H -2.159 -1.867 -8.967 1.00 . A A . 7 VAL HG21 1 1 18 5221 1 1 7 VAL HG22 H -1.512 -0.480 -8.090 1.00 . A A . 7 VAL HG22 1 1 18 5222 1 1 7 VAL HG23 H -1.392 -2.097 -7.395 1.00 . A A . 7 VAL HG23 1 1 18 5223 1 1 7 VAL N N -2.264 -0.175 -5.350 1.00 . A A . 7 VAL N 1 1 18 5224 1 1 7 VAL O O -5.357 1.157 -5.965 1.00 . A A . 7 VAL O 1 1 18 5225 1 1 8 VAL C C -6.408 0.418 -3.230 1.00 . A A . 8 VAL C 1 1 18 5226 1 1 8 VAL CA C -6.357 -0.745 -4.215 1.00 . A A . 8 VAL CA 1 1 18 5227 1 1 8 VAL CB C -6.652 -2.055 -3.461 1.00 . A A . 8 VAL CB 1 1 18 5228 1 1 8 VAL CG1 C -7.992 -1.971 -2.746 1.00 . A A . 8 VAL CG1 1 1 18 5229 1 1 8 VAL CG2 C -6.622 -3.238 -4.417 1.00 . A A . 8 VAL CG2 1 1 18 5230 1 1 8 VAL H H -4.480 -1.569 -4.739 1.00 . A A . 8 VAL H 1 1 18 5231 1 1 8 VAL HA H -7.124 -0.605 -4.963 1.00 . A A . 8 VAL HA 1 1 18 5232 1 1 8 VAL HB H -5.882 -2.201 -2.718 1.00 . A A . 8 VAL HB 1 1 18 5233 1 1 8 VAL HG11 H -8.512 -1.078 -3.061 1.00 . A A . 8 VAL HG11 1 1 18 5234 1 1 8 VAL HG12 H -8.586 -2.839 -2.990 1.00 . A A . 8 VAL HG12 1 1 18 5235 1 1 8 VAL HG13 H -7.829 -1.934 -1.679 1.00 . A A . 8 VAL HG13 1 1 18 5236 1 1 8 VAL HG21 H -7.209 -4.047 -4.008 1.00 . A A . 8 VAL HG21 1 1 18 5237 1 1 8 VAL HG22 H -7.034 -2.940 -5.370 1.00 . A A . 8 VAL HG22 1 1 18 5238 1 1 8 VAL HG23 H -5.602 -3.566 -4.553 1.00 . A A . 8 VAL HG23 1 1 18 5239 1 1 8 VAL N N -5.069 -0.802 -4.895 1.00 . A A . 8 VAL N 1 1 18 5240 1 1 8 VAL O O -7.273 1.289 -3.325 1.00 . A A . 8 VAL O 1 1 18 5241 1 1 9 VAL C C -4.750 2.734 -1.843 1.00 . A A . 9 VAL C 1 1 18 5242 1 1 9 VAL CA C -5.413 1.482 -1.280 1.00 . A A . 9 VAL CA 1 1 18 5243 1 1 9 VAL CB C -4.640 1.023 -0.029 1.00 . A A . 9 VAL CB 1 1 18 5244 1 1 9 VAL CG1 C -4.760 2.056 1.081 1.00 . A A . 9 VAL CG1 1 1 18 5245 1 1 9 VAL CG2 C -5.142 -0.334 0.438 1.00 . A A . 9 VAL CG2 1 1 18 5246 1 1 9 VAL H H -4.814 -0.297 -2.258 1.00 . A A . 9 VAL H 1 1 18 5247 1 1 9 VAL HA H -6.424 1.723 -0.985 1.00 . A A . 9 VAL HA 1 1 18 5248 1 1 9 VAL HB H -3.597 0.928 -0.290 1.00 . A A . 9 VAL HB 1 1 18 5249 1 1 9 VAL HG11 H -3.792 2.496 1.269 1.00 . A A . 9 VAL HG11 1 1 18 5250 1 1 9 VAL HG12 H -5.456 2.827 0.783 1.00 . A A . 9 VAL HG12 1 1 18 5251 1 1 9 VAL HG13 H -5.118 1.577 1.981 1.00 . A A . 9 VAL HG13 1 1 18 5252 1 1 9 VAL HG21 H -4.573 -0.653 1.299 1.00 . A A . 9 VAL HG21 1 1 18 5253 1 1 9 VAL HG22 H -6.186 -0.259 0.704 1.00 . A A . 9 VAL HG22 1 1 18 5254 1 1 9 VAL HG23 H -5.025 -1.056 -0.357 1.00 . A A . 9 VAL HG23 1 1 18 5255 1 1 9 VAL N N -5.476 0.425 -2.283 1.00 . A A . 9 VAL N 1 1 18 5256 1 1 9 VAL O O -5.009 3.846 -1.385 1.00 . A A . 9 VAL O 1 1 18 5257 1 1 10 GLY C C -4.153 4.612 -4.162 1.00 . A A . 10 GLY C 1 1 18 5258 1 1 10 GLY CA C -3.204 3.669 -3.450 1.00 . A A . 10 GLY CA 1 1 18 5259 1 1 10 GLY H H -3.723 1.636 -3.165 1.00 . A A . 10 GLY H 1 1 18 5260 1 1 10 GLY HA2 H -2.678 4.216 -2.681 1.00 . A A . 10 GLY HA2 1 1 18 5261 1 1 10 GLY HA3 H -2.486 3.292 -4.164 1.00 . A A . 10 GLY HA3 1 1 18 5262 1 1 10 GLY N N -3.891 2.546 -2.840 1.00 . A A . 10 GLY N 1 1 18 5263 1 1 10 GLY O O -3.813 5.766 -4.422 1.00 . A A . 10 GLY O 1 1 18 5264 1 1 11 ALA C C -7.263 5.630 -4.169 1.00 . A A . 11 ALA C 1 1 18 5265 1 1 11 ALA CA C -6.347 4.928 -5.166 1.00 . A A . 11 ALA CA 1 1 18 5266 1 1 11 ALA CB C -7.162 4.063 -6.116 1.00 . A A . 11 ALA CB 1 1 18 5267 1 1 11 ALA H H -5.558 3.193 -4.246 1.00 . A A . 11 ALA H 1 1 18 5268 1 1 11 ALA HA H -5.830 5.674 -5.752 1.00 . A A . 11 ALA HA 1 1 18 5269 1 1 11 ALA HB1 H -8.191 4.037 -5.785 1.00 . A A . 11 ALA HB1 1 1 18 5270 1 1 11 ALA HB2 H -7.114 4.478 -7.111 1.00 . A A . 11 ALA HB2 1 1 18 5271 1 1 11 ALA HB3 H -6.761 3.060 -6.123 1.00 . A A . 11 ALA HB3 1 1 18 5272 1 1 11 ALA N N -5.346 4.120 -4.480 1.00 . A A . 11 ALA N 1 1 18 5273 1 1 11 ALA O O -7.430 6.848 -4.217 1.00 . A A . 11 ALA O 1 1 18 5274 1 1 12 GLY C C -9.520 4.357 -1.516 1.00 . A A . 12 GLY C 1 1 18 5275 1 1 12 GLY CA C -8.747 5.419 -2.272 1.00 . A A . 12 GLY CA 1 1 18 5276 1 1 12 GLY H H -7.684 3.888 -3.277 1.00 . A A . 12 GLY H 1 1 18 5277 1 1 12 GLY HA2 H -8.165 5.995 -1.569 1.00 . A A . 12 GLY HA2 1 1 18 5278 1 1 12 GLY HA3 H -9.449 6.075 -2.766 1.00 . A A . 12 GLY HA3 1 1 18 5279 1 1 12 GLY N N -7.855 4.853 -3.267 1.00 . A A . 12 GLY N 1 1 18 5280 1 1 12 GLY O O -10.685 4.554 -1.172 1.00 . A A . 12 GLY O 1 1 18 5281 1 1 13 GLY C C -10.726 1.599 -1.282 1.00 . A A . 13 GLY C 1 1 18 5282 1 1 13 GLY CA C -9.522 2.144 -0.541 1.00 . A A . 13 GLY CA 1 1 18 5283 1 1 13 GLY H H -7.943 3.124 -1.556 1.00 . A A . 13 GLY H 1 1 18 5284 1 1 13 GLY HA2 H -8.810 1.345 -0.394 1.00 . A A . 13 GLY HA2 1 1 18 5285 1 1 13 GLY HA3 H -9.842 2.509 0.424 1.00 . A A . 13 GLY HA3 1 1 18 5286 1 1 13 GLY N N -8.871 3.226 -1.257 1.00 . A A . 13 GLY N 1 1 18 5287 1 1 13 GLY O O -11.867 1.829 -0.881 1.00 . A A . 13 GLY O 1 1 18 5288 1 1 14 VAL C C -12.403 -0.650 -2.335 1.00 . A A . 14 VAL C 1 1 18 5289 1 1 14 VAL CA C -11.547 0.297 -3.168 1.00 . A A . 14 VAL CA 1 1 18 5290 1 1 14 VAL CB C -10.991 -0.466 -4.384 1.00 . A A . 14 VAL CB 1 1 18 5291 1 1 14 VAL CG1 C -12.121 -0.898 -5.306 1.00 . A A . 14 VAL CG1 1 1 18 5292 1 1 14 VAL CG2 C -9.979 0.389 -5.132 1.00 . A A . 14 VAL CG2 1 1 18 5293 1 1 14 VAL H H -9.543 0.727 -2.637 1.00 . A A . 14 VAL H 1 1 18 5294 1 1 14 VAL HA H -12.167 1.105 -3.528 1.00 . A A . 14 VAL HA 1 1 18 5295 1 1 14 VAL HB H -10.487 -1.353 -4.028 1.00 . A A . 14 VAL HB 1 1 18 5296 1 1 14 VAL HG11 H -12.309 -0.122 -6.033 1.00 . A A . 14 VAL HG11 1 1 18 5297 1 1 14 VAL HG12 H -11.843 -1.810 -5.814 1.00 . A A . 14 VAL HG12 1 1 18 5298 1 1 14 VAL HG13 H -13.015 -1.068 -4.724 1.00 . A A . 14 VAL HG13 1 1 18 5299 1 1 14 VAL HG21 H -10.160 1.432 -4.918 1.00 . A A . 14 VAL HG21 1 1 18 5300 1 1 14 VAL HG22 H -8.981 0.124 -4.817 1.00 . A A . 14 VAL HG22 1 1 18 5301 1 1 14 VAL HG23 H -10.078 0.218 -6.195 1.00 . A A . 14 VAL HG23 1 1 18 5302 1 1 14 VAL N N -10.474 0.876 -2.368 1.00 . A A . 14 VAL N 1 1 18 5303 1 1 14 VAL O O -13.615 -0.737 -2.524 1.00 . A A . 14 VAL O 1 1 18 5304 1 1 15 GLY C C -12.116 -3.736 -0.846 1.00 . A A . 15 GLY C 1 1 18 5305 1 1 15 GLY CA C -12.482 -2.292 -0.562 1.00 . A A . 15 GLY CA 1 1 18 5306 1 1 15 GLY H H -10.795 -1.250 -1.304 1.00 . A A . 15 GLY H 1 1 18 5307 1 1 15 GLY HA2 H -12.254 -2.071 0.471 1.00 . A A . 15 GLY HA2 1 1 18 5308 1 1 15 GLY HA3 H -13.542 -2.163 -0.722 1.00 . A A . 15 GLY HA3 1 1 18 5309 1 1 15 GLY N N -11.763 -1.360 -1.410 1.00 . A A . 15 GLY N 1 1 18 5310 1 1 15 GLY O O -12.867 -4.652 -0.511 1.00 . A A . 15 GLY O 1 1 18 5311 1 1 16 LYS C C -9.336 -5.694 -0.897 1.00 . A A . 16 LYS C 1 1 18 5312 1 1 16 LYS CA C -10.495 -5.282 -1.799 1.00 . A A . 16 LYS CA 1 1 18 5313 1 1 16 LYS CB C -10.062 -5.347 -3.265 1.00 . A A . 16 LYS CB 1 1 18 5314 1 1 16 LYS CD C -12.357 -5.482 -4.277 1.00 . A A . 16 LYS CD 1 1 18 5315 1 1 16 LYS CE C -13.552 -4.587 -3.985 1.00 . A A . 16 LYS CE 1 1 18 5316 1 1 16 LYS CG C -11.053 -4.705 -4.221 1.00 . A A . 16 LYS CG 1 1 18 5317 1 1 16 LYS H H -10.405 -3.169 -1.710 1.00 . A A . 16 LYS H 1 1 18 5318 1 1 16 LYS HA H -11.317 -5.965 -1.644 1.00 . A A . 16 LYS HA 1 1 18 5319 1 1 16 LYS HB2 H -9.113 -4.842 -3.371 1.00 . A A . 16 LYS HB2 1 1 18 5320 1 1 16 LYS HB3 H -9.942 -6.383 -3.547 1.00 . A A . 16 LYS HB3 1 1 18 5321 1 1 16 LYS HD2 H -12.472 -5.906 -5.263 1.00 . A A . 16 LYS HD2 1 1 18 5322 1 1 16 LYS HD3 H -12.326 -6.275 -3.544 1.00 . A A . 16 LYS HD3 1 1 18 5323 1 1 16 LYS HE2 H -14.284 -5.154 -3.432 1.00 . A A . 16 LYS HE2 1 1 18 5324 1 1 16 LYS HE3 H -13.221 -3.749 -3.389 1.00 . A A . 16 LYS HE3 1 1 18 5325 1 1 16 LYS HG2 H -11.260 -3.698 -3.889 1.00 . A A . 16 LYS HG2 1 1 18 5326 1 1 16 LYS HG3 H -10.618 -4.677 -5.210 1.00 . A A . 16 LYS HG3 1 1 18 5327 1 1 16 LYS HZ1 H -15.014 -4.644 -5.476 1.00 . A A . 16 LYS HZ1 1 1 18 5328 1 1 16 LYS HZ2 H -13.500 -4.123 -6.021 1.00 . A A . 16 LYS HZ2 1 1 18 5329 1 1 16 LYS HZ3 H -14.473 -3.085 -5.107 1.00 . A A . 16 LYS HZ3 1 1 18 5330 1 1 16 LYS N N -10.960 -3.940 -1.468 1.00 . A A . 16 LYS N 1 1 18 5331 1 1 16 LYS NZ N -14.179 -4.074 -5.235 1.00 . A A . 16 LYS NZ 1 1 18 5332 1 1 16 LYS O O -9.313 -6.806 -0.370 1.00 . A A . 16 LYS O 1 1 18 5333 1 1 17 SER C C -7.641 -5.489 1.515 1.00 . A A . 17 SER C 1 1 18 5334 1 1 17 SER CA C -7.215 -5.062 0.114 1.00 . A A . 17 SER CA 1 1 18 5335 1 1 17 SER CB C -6.319 -3.824 0.197 1.00 . A A . 17 SER CB 1 1 18 5336 1 1 17 SER H H -8.453 -3.921 -1.170 1.00 . A A . 17 SER H 1 1 18 5337 1 1 17 SER HA H -6.659 -5.867 -0.342 1.00 . A A . 17 SER HA 1 1 18 5338 1 1 17 SER HB2 H -5.617 -3.835 -0.622 1.00 . A A . 17 SER HB2 1 1 18 5339 1 1 17 SER HB3 H -6.932 -2.935 0.134 1.00 . A A . 17 SER HB3 1 1 18 5340 1 1 17 SER HG H -5.999 -3.157 2.011 1.00 . A A . 17 SER HG 1 1 18 5341 1 1 17 SER N N -8.378 -4.790 -0.723 1.00 . A A . 17 SER N 1 1 18 5342 1 1 17 SER O O -6.932 -6.233 2.193 1.00 . A A . 17 SER O 1 1 18 5343 1 1 17 SER OG O -5.599 -3.796 1.417 1.00 . A A . 17 SER OG 1 1 18 5344 1 1 18 HIS C C -9.383 -6.857 3.462 1.00 . A A . 18 HIS C 1 1 18 5345 1 1 18 HIS CA C -9.329 -5.345 3.264 1.00 . A A . 18 HIS CA 1 1 18 5346 1 1 18 HIS CB C -10.723 -4.745 3.450 1.00 . A A . 18 HIS CB 1 1 18 5347 1 1 18 HIS CD2 C -11.793 -2.413 3.067 1.00 . A A . 18 HIS CD2 1 1 18 5348 1 1 18 HIS CE1 C -9.973 -1.199 3.210 1.00 . A A . 18 HIS CE1 1 1 18 5349 1 1 18 HIS CG C -10.758 -3.255 3.299 1.00 . A A . 18 HIS CG 1 1 18 5350 1 1 18 HIS H H -9.326 -4.424 1.358 1.00 . A A . 18 HIS H 1 1 18 5351 1 1 18 HIS HA H -8.663 -4.922 4.001 1.00 . A A . 18 HIS HA 1 1 18 5352 1 1 18 HIS HB2 H -11.391 -5.168 2.714 1.00 . A A . 18 HIS HB2 1 1 18 5353 1 1 18 HIS HB3 H -11.084 -4.988 4.439 1.00 . A A . 18 HIS HB3 1 1 18 5354 1 1 18 HIS HD1 H -8.721 -2.781 3.545 1.00 . A A . 18 HIS HD1 1 1 18 5355 1 1 18 HIS HD2 H -12.831 -2.690 2.945 1.00 . A A . 18 HIS HD2 1 1 18 5356 1 1 18 HIS HE1 H -9.300 -0.355 3.224 1.00 . A A . 18 HIS HE1 1 1 18 5357 1 1 18 HIS N N -8.806 -5.013 1.944 1.00 . A A . 18 HIS N 1 1 18 5358 1 1 18 HIS ND1 N -9.633 -2.463 3.382 1.00 . A A . 18 HIS ND1 1 1 18 5359 1 1 18 HIS NE2 N -11.278 -1.141 3.016 1.00 . A A . 18 HIS NE2 1 1 18 5360 1 1 18 HIS O O -9.271 -7.351 4.584 1.00 . A A . 18 HIS O 1 1 18 5361 1 1 19 VAL C C -8.328 -9.634 2.962 1.00 . A A . 19 VAL C 1 1 18 5362 1 1 19 VAL CA C -9.623 -9.043 2.417 1.00 . A A . 19 VAL CA 1 1 18 5363 1 1 19 VAL CB C -9.904 -9.642 1.027 1.00 . A A . 19 VAL CB 1 1 18 5364 1 1 19 VAL CG1 C -9.963 -11.160 1.102 1.00 . A A . 19 VAL CG1 1 1 18 5365 1 1 19 VAL CG2 C -11.195 -9.078 0.454 1.00 . A A . 19 VAL CG2 1 1 18 5366 1 1 19 VAL H H -9.637 -7.136 1.498 1.00 . A A . 19 VAL H 1 1 18 5367 1 1 19 VAL HA H -10.437 -9.315 3.074 1.00 . A A . 19 VAL HA 1 1 18 5368 1 1 19 VAL HB H -9.093 -9.368 0.368 1.00 . A A . 19 VAL HB 1 1 18 5369 1 1 19 VAL HG11 H -8.963 -11.563 1.028 1.00 . A A . 19 VAL HG11 1 1 18 5370 1 1 19 VAL HG12 H -10.403 -11.458 2.042 1.00 . A A . 19 VAL HG12 1 1 18 5371 1 1 19 VAL HG13 H -10.563 -11.538 0.287 1.00 . A A . 19 VAL HG13 1 1 18 5372 1 1 19 VAL HG21 H -11.161 -7.999 0.482 1.00 . A A . 19 VAL HG21 1 1 18 5373 1 1 19 VAL HG22 H -11.310 -9.409 -0.567 1.00 . A A . 19 VAL HG22 1 1 18 5374 1 1 19 VAL HG23 H -12.033 -9.427 1.042 1.00 . A A . 19 VAL HG23 1 1 18 5375 1 1 19 VAL N N -9.555 -7.587 2.365 1.00 . A A . 19 VAL N 1 1 18 5376 1 1 19 VAL O O -8.350 -10.529 3.808 1.00 . A A . 19 VAL O 1 1 18 5377 1 1 20 TRP C C -5.371 -8.770 4.073 1.00 . A A . 20 TRP C 1 1 18 5378 1 1 20 TRP CA C -5.896 -9.607 2.912 1.00 . A A . 20 TRP CA 1 1 18 5379 1 1 20 TRP CB C -4.901 -9.571 1.751 1.00 . A A . 20 TRP CB 1 1 18 5380 1 1 20 TRP CD1 C -6.030 -10.089 -0.491 1.00 . A A . 20 TRP CD1 1 1 18 5381 1 1 20 TRP CD2 C -4.978 -11.836 0.436 1.00 . A A . 20 TRP CD2 1 1 18 5382 1 1 20 TRP CE2 C -5.552 -12.251 -0.782 1.00 . A A . 20 TRP CE2 1 1 18 5383 1 1 20 TRP CE3 C -4.264 -12.766 1.195 1.00 . A A . 20 TRP CE3 1 1 18 5384 1 1 20 TRP CG C -5.295 -10.450 0.602 1.00 . A A . 20 TRP CG 1 1 18 5385 1 1 20 TRP CH2 C -4.729 -14.445 -0.490 1.00 . A A . 20 TRP CH2 1 1 18 5386 1 1 20 TRP CZ2 C -5.433 -13.555 -1.254 1.00 . A A . 20 TRP CZ2 1 1 18 5387 1 1 20 TRP CZ3 C -4.147 -14.061 0.726 1.00 . A A . 20 TRP CZ3 1 1 18 5388 1 1 20 TRP H H -7.249 -8.416 1.801 1.00 . A A . 20 TRP H 1 1 18 5389 1 1 20 TRP HA H -6.012 -10.628 3.243 1.00 . A A . 20 TRP HA 1 1 18 5390 1 1 20 TRP HB2 H -4.821 -8.559 1.384 1.00 . A A . 20 TRP HB2 1 1 18 5391 1 1 20 TRP HB3 H -3.934 -9.898 2.105 1.00 . A A . 20 TRP HB3 1 1 18 5392 1 1 20 TRP HD1 H -6.423 -9.098 -0.659 1.00 . A A . 20 TRP HD1 1 1 18 5393 1 1 20 TRP HE1 H -6.677 -11.161 -2.178 1.00 . A A . 20 TRP HE1 1 1 18 5394 1 1 20 TRP HE3 H -3.809 -12.489 2.135 1.00 . A A . 20 TRP HE3 1 1 18 5395 1 1 20 TRP HH2 H -4.612 -15.467 -0.818 1.00 . A A . 20 TRP HH2 1 1 18 5396 1 1 20 TRP HZ2 H -5.875 -13.867 -2.189 1.00 . A A . 20 TRP HZ2 1 1 18 5397 1 1 20 TRP HZ3 H -3.599 -14.794 1.299 1.00 . A A . 20 TRP HZ3 1 1 18 5398 1 1 20 TRP N N -7.202 -9.128 2.473 1.00 . A A . 20 TRP N 1 1 18 5399 1 1 20 TRP NE1 N -6.188 -11.167 -1.328 1.00 . A A . 20 TRP NE1 1 1 18 5400 1 1 20 TRP O O -5.455 -7.542 4.054 1.00 . A A . 20 TRP O 1 1 19 5401 1 1 1 MET C C 3.107 -0.816 -0.920 1.00 . A A . 1 MET C 1 1 19 5402 1 1 1 MET CA C 1.961 0.191 -0.906 1.00 . A A . 1 MET CA 1 1 19 5403 1 1 1 MET CB C 2.512 1.610 -1.052 1.00 . A A . 1 MET CB 1 1 19 5404 1 1 1 MET CE C 3.438 4.606 -2.831 1.00 . A A . 1 MET CE 1 1 19 5405 1 1 1 MET CG C 3.135 1.883 -2.412 1.00 . A A . 1 MET CG 1 1 19 5406 1 1 1 MET H1 H 1.620 0.237 1.183 1.00 . A A . 1 MET H1 1 1 19 5407 1 1 1 MET HA H 1.304 -0.018 -1.737 1.00 . A A . 1 MET HA 1 1 19 5408 1 1 1 MET HB2 H 1.707 2.314 -0.901 1.00 . A A . 1 MET HB2 1 1 19 5409 1 1 1 MET HB3 H 3.267 1.771 -0.296 1.00 . A A . 1 MET HB3 1 1 19 5410 1 1 1 MET HE1 H 4.093 5.348 -3.263 1.00 . A A . 1 MET HE1 1 1 19 5411 1 1 1 MET HE2 H 2.694 4.316 -3.557 1.00 . A A . 1 MET HE2 1 1 19 5412 1 1 1 MET HE3 H 2.950 5.019 -1.960 1.00 . A A . 1 MET HE3 1 1 19 5413 1 1 1 MET HG2 H 3.588 0.973 -2.775 1.00 . A A . 1 MET HG2 1 1 19 5414 1 1 1 MET HG3 H 2.356 2.192 -3.093 1.00 . A A . 1 MET HG3 1 1 19 5415 1 1 1 MET N N 1.182 0.074 0.321 1.00 . A A . 1 MET N 1 1 19 5416 1 1 1 MET O O 4.268 -0.449 -1.101 1.00 . A A . 1 MET O 1 1 19 5417 1 1 1 MET SD S 4.396 3.170 -2.352 1.00 . A A . 1 MET SD 1 1 19 5418 1 1 2 THR C C 3.525 -4.151 -1.838 1.00 . A A . 2 THR C 1 1 19 5419 1 1 2 THR CA C 3.774 -3.148 -0.717 1.00 . A A . 2 THR CA 1 1 19 5420 1 1 2 THR CB C 3.787 -3.895 0.630 1.00 . A A . 2 THR CB 1 1 19 5421 1 1 2 THR CG2 C 2.506 -4.693 0.819 1.00 . A A . 2 THR CG2 1 1 19 5422 1 1 2 THR H H 1.831 -2.319 -0.590 1.00 . A A . 2 THR H 1 1 19 5423 1 1 2 THR HA H 4.743 -2.693 -0.863 1.00 . A A . 2 THR HA 1 1 19 5424 1 1 2 THR HB H 3.862 -3.168 1.426 1.00 . A A . 2 THR HB 1 1 19 5425 1 1 2 THR HG1 H 4.740 -5.559 0.169 1.00 . A A . 2 THR HG1 1 1 19 5426 1 1 2 THR HG21 H 1.657 -4.028 0.765 1.00 . A A . 2 THR HG21 1 1 19 5427 1 1 2 THR HG22 H 2.523 -5.177 1.785 1.00 . A A . 2 THR HG22 1 1 19 5428 1 1 2 THR HG23 H 2.430 -5.440 0.043 1.00 . A A . 2 THR HG23 1 1 19 5429 1 1 2 THR N N 2.773 -2.089 -0.728 1.00 . A A . 2 THR N 1 1 19 5430 1 1 2 THR O O 4.457 -4.782 -2.336 1.00 . A A . 2 THR O 1 1 19 5431 1 1 2 THR OG1 O 4.916 -4.773 0.692 1.00 . A A . 2 THR OG1 1 1 19 5432 1 1 3 GLU C C 0.607 -4.772 -3.983 1.00 . A A . 3 GLU C 1 1 19 5433 1 1 3 GLU CA C 1.893 -5.219 -3.294 1.00 . A A . 3 GLU CA 1 1 19 5434 1 1 3 GLU CB C 1.719 -6.631 -2.731 1.00 . A A . 3 GLU CB 1 1 19 5435 1 1 3 GLU CD C 1.822 -7.790 -4.974 1.00 . A A . 3 GLU CD 1 1 19 5436 1 1 3 GLU CG C 1.035 -7.589 -3.693 1.00 . A A . 3 GLU CG 1 1 19 5437 1 1 3 GLU H H 1.564 -3.761 -1.795 1.00 . A A . 3 GLU H 1 1 19 5438 1 1 3 GLU HA H 2.692 -5.227 -4.020 1.00 . A A . 3 GLU HA 1 1 19 5439 1 1 3 GLU HB2 H 2.692 -7.031 -2.487 1.00 . A A . 3 GLU HB2 1 1 19 5440 1 1 3 GLU HB3 H 1.126 -6.576 -1.830 1.00 . A A . 3 GLU HB3 1 1 19 5441 1 1 3 GLU HG2 H 0.920 -8.546 -3.206 1.00 . A A . 3 GLU HG2 1 1 19 5442 1 1 3 GLU HG3 H 0.062 -7.194 -3.943 1.00 . A A . 3 GLU HG3 1 1 19 5443 1 1 3 GLU N N 2.263 -4.292 -2.231 1.00 . A A . 3 GLU N 1 1 19 5444 1 1 3 GLU O O 0.617 -4.389 -5.153 1.00 . A A . 3 GLU O 1 1 19 5445 1 1 3 GLU OE1 O 3.069 -7.767 -4.913 1.00 . A A . 3 GLU OE1 1 1 19 5446 1 1 3 GLU OE2 O 1.190 -7.970 -6.036 1.00 . A A . 3 GLU OE2 1 1 19 5447 1 1 4 TYR C C -2.252 -3.102 -3.190 1.00 . A A . 4 TYR C 1 1 19 5448 1 1 4 TYR CA C -1.794 -4.428 -3.789 1.00 . A A . 4 TYR CA 1 1 19 5449 1 1 4 TYR CB C -2.838 -5.512 -3.514 1.00 . A A . 4 TYR CB 1 1 19 5450 1 1 4 TYR CD1 C -2.984 -5.403 -0.995 1.00 . A A . 4 TYR CD1 1 1 19 5451 1 1 4 TYR CD2 C -2.330 -7.464 -1.995 1.00 . A A . 4 TYR CD2 1 1 19 5452 1 1 4 TYR CE1 C -2.872 -5.970 0.259 1.00 . A A . 4 TYR CE1 1 1 19 5453 1 1 4 TYR CE2 C -2.216 -8.041 -0.745 1.00 . A A . 4 TYR CE2 1 1 19 5454 1 1 4 TYR CG C -2.715 -6.138 -2.143 1.00 . A A . 4 TYR CG 1 1 19 5455 1 1 4 TYR CZ C -2.488 -7.289 0.379 1.00 . A A . 4 TYR CZ 1 1 19 5456 1 1 4 TYR H H -0.444 -5.139 -2.322 1.00 . A A . 4 TYR H 1 1 19 5457 1 1 4 TYR HA H -1.686 -4.310 -4.857 1.00 . A A . 4 TYR HA 1 1 19 5458 1 1 4 TYR HB2 H -3.824 -5.081 -3.593 1.00 . A A . 4 TYR HB2 1 1 19 5459 1 1 4 TYR HB3 H -2.734 -6.297 -4.248 1.00 . A A . 4 TYR HB3 1 1 19 5460 1 1 4 TYR HD1 H -3.286 -4.370 -1.093 1.00 . A A . 4 TYR HD1 1 1 19 5461 1 1 4 TYR HD2 H -2.117 -8.051 -2.878 1.00 . A A . 4 TYR HD2 1 1 19 5462 1 1 4 TYR HE1 H -3.085 -5.382 1.140 1.00 . A A . 4 TYR HE1 1 1 19 5463 1 1 4 TYR HE2 H -1.915 -9.074 -0.651 1.00 . A A . 4 TYR HE2 1 1 19 5464 1 1 4 TYR HH H -1.493 -7.706 1.970 1.00 . A A . 4 TYR HH 1 1 19 5465 1 1 4 TYR N N -0.499 -4.825 -3.249 1.00 . A A . 4 TYR N 1 1 19 5466 1 1 4 TYR O O -3.076 -2.395 -3.771 1.00 . A A . 4 TYR O 1 1 19 5467 1 1 4 TYR OH O -2.376 -7.859 1.627 1.00 . A A . 4 TYR OH 1 1 19 5468 1 1 5 LYS C C -1.609 -0.318 -2.155 1.00 . A A . 5 LYS C 1 1 19 5469 1 1 5 LYS CA C -2.059 -1.528 -1.343 1.00 . A A . 5 LYS CA 1 1 19 5470 1 1 5 LYS CB C -1.422 -1.487 0.048 1.00 . A A . 5 LYS CB 1 1 19 5471 1 1 5 LYS CD C -1.148 -2.951 2.071 1.00 . A A . 5 LYS CD 1 1 19 5472 1 1 5 LYS CE C -1.799 -3.151 3.431 1.00 . A A . 5 LYS CE 1 1 19 5473 1 1 5 LYS CG C -2.127 -2.367 1.066 1.00 . A A . 5 LYS CG 1 1 19 5474 1 1 5 LYS H H -1.059 -3.375 -1.609 1.00 . A A . 5 LYS H 1 1 19 5475 1 1 5 LYS HA H -3.133 -1.497 -1.238 1.00 . A A . 5 LYS HA 1 1 19 5476 1 1 5 LYS HB2 H -0.395 -1.814 -0.030 1.00 . A A . 5 LYS HB2 1 1 19 5477 1 1 5 LYS HB3 H -1.440 -0.469 0.409 1.00 . A A . 5 LYS HB3 1 1 19 5478 1 1 5 LYS HD2 H -0.799 -3.906 1.708 1.00 . A A . 5 LYS HD2 1 1 19 5479 1 1 5 LYS HD3 H -0.310 -2.276 2.178 1.00 . A A . 5 LYS HD3 1 1 19 5480 1 1 5 LYS HE2 H -2.395 -2.282 3.662 1.00 . A A . 5 LYS HE2 1 1 19 5481 1 1 5 LYS HE3 H -2.436 -4.022 3.386 1.00 . A A . 5 LYS HE3 1 1 19 5482 1 1 5 LYS HG2 H -2.858 -1.774 1.595 1.00 . A A . 5 LYS HG2 1 1 19 5483 1 1 5 LYS HG3 H -2.622 -3.176 0.548 1.00 . A A . 5 LYS HG3 1 1 19 5484 1 1 5 LYS HZ1 H 0.120 -2.924 4.224 1.00 . A A . 5 LYS HZ1 1 1 19 5485 1 1 5 LYS HZ2 H -0.647 -4.360 4.685 1.00 . A A . 5 LYS HZ2 1 1 19 5486 1 1 5 LYS HZ3 H -1.109 -2.892 5.385 1.00 . A A . 5 LYS HZ3 1 1 19 5487 1 1 5 LYS N N -1.710 -2.770 -2.023 1.00 . A A . 5 LYS N 1 1 19 5488 1 1 5 LYS NZ N -0.788 -3.345 4.507 1.00 . A A . 5 LYS NZ 1 1 19 5489 1 1 5 LYS O O -2.043 0.807 -1.904 1.00 . A A . 5 LYS O 1 1 19 5490 1 1 6 LEU C C -1.182 0.784 -5.143 1.00 . A A . 6 LEU C 1 1 19 5491 1 1 6 LEU CA C -0.231 0.515 -3.981 1.00 . A A . 6 LEU CA 1 1 19 5492 1 1 6 LEU CB C 1.156 0.154 -4.516 1.00 . A A . 6 LEU CB 1 1 19 5493 1 1 6 LEU CD1 C 1.336 -0.766 -6.840 1.00 . A A . 6 LEU CD1 1 1 19 5494 1 1 6 LEU CD2 C 2.427 -1.966 -4.936 1.00 . A A . 6 LEU CD2 1 1 19 5495 1 1 6 LEU CG C 1.239 -1.116 -5.363 1.00 . A A . 6 LEU CG 1 1 19 5496 1 1 6 LEU H H -0.430 -1.473 -3.282 1.00 . A A . 6 LEU H 1 1 19 5497 1 1 6 LEU HA H -0.155 1.408 -3.380 1.00 . A A . 6 LEU HA 1 1 19 5498 1 1 6 LEU HB2 H 1.502 0.978 -5.120 1.00 . A A . 6 LEU HB2 1 1 19 5499 1 1 6 LEU HB3 H 1.814 0.030 -3.667 1.00 . A A . 6 LEU HB3 1 1 19 5500 1 1 6 LEU HD11 H 2.335 -0.424 -7.064 1.00 . A A . 6 LEU HD11 1 1 19 5501 1 1 6 LEU HD12 H 0.628 0.015 -7.072 1.00 . A A . 6 LEU HD12 1 1 19 5502 1 1 6 LEU HD13 H 1.113 -1.642 -7.433 1.00 . A A . 6 LEU HD13 1 1 19 5503 1 1 6 LEU HD21 H 3.122 -1.358 -4.376 1.00 . A A . 6 LEU HD21 1 1 19 5504 1 1 6 LEU HD22 H 2.918 -2.363 -5.811 1.00 . A A . 6 LEU HD22 1 1 19 5505 1 1 6 LEU HD23 H 2.081 -2.781 -4.316 1.00 . A A . 6 LEU HD23 1 1 19 5506 1 1 6 LEU HG H 0.340 -1.698 -5.218 1.00 . A A . 6 LEU HG 1 1 19 5507 1 1 6 LEU N N -0.739 -0.556 -3.130 1.00 . A A . 6 LEU N 1 1 19 5508 1 1 6 LEU O O -1.104 1.825 -5.795 1.00 . A A . 6 LEU O 1 1 19 5509 1 1 7 VAL C C -4.465 0.127 -5.931 1.00 . A A . 7 VAL C 1 1 19 5510 1 1 7 VAL CA C -3.050 -0.026 -6.477 1.00 . A A . 7 VAL CA 1 1 19 5511 1 1 7 VAL CB C -3.006 -1.238 -7.427 1.00 . A A . 7 VAL CB 1 1 19 5512 1 1 7 VAL CG1 C -3.968 -1.042 -8.589 1.00 . A A . 7 VAL CG1 1 1 19 5513 1 1 7 VAL CG2 C -1.589 -1.468 -7.930 1.00 . A A . 7 VAL CG2 1 1 19 5514 1 1 7 VAL H H -2.094 -0.970 -4.842 1.00 . A A . 7 VAL H 1 1 19 5515 1 1 7 VAL HA H -2.796 0.858 -7.044 1.00 . A A . 7 VAL HA 1 1 19 5516 1 1 7 VAL HB H -3.316 -2.113 -6.875 1.00 . A A . 7 VAL HB 1 1 19 5517 1 1 7 VAL HG11 H -3.909 -0.021 -8.936 1.00 . A A . 7 VAL HG11 1 1 19 5518 1 1 7 VAL HG12 H -3.703 -1.713 -9.393 1.00 . A A . 7 VAL HG12 1 1 19 5519 1 1 7 VAL HG13 H -4.975 -1.252 -8.261 1.00 . A A . 7 VAL HG13 1 1 19 5520 1 1 7 VAL HG21 H -1.161 -0.528 -8.245 1.00 . A A . 7 VAL HG21 1 1 19 5521 1 1 7 VAL HG22 H -0.990 -1.889 -7.137 1.00 . A A . 7 VAL HG22 1 1 19 5522 1 1 7 VAL HG23 H -1.610 -2.151 -8.767 1.00 . A A . 7 VAL HG23 1 1 19 5523 1 1 7 VAL N N -2.082 -0.162 -5.396 1.00 . A A . 7 VAL N 1 1 19 5524 1 1 7 VAL O O -5.155 1.103 -6.226 1.00 . A A . 7 VAL O 1 1 19 5525 1 1 8 VAL C C -6.377 0.348 -3.575 1.00 . A A . 8 VAL C 1 1 19 5526 1 1 8 VAL CA C -6.227 -0.820 -4.543 1.00 . A A . 8 VAL CA 1 1 19 5527 1 1 8 VAL CB C -6.537 -2.132 -3.798 1.00 . A A . 8 VAL CB 1 1 19 5528 1 1 8 VAL CG1 C -7.920 -2.074 -3.168 1.00 . A A . 8 VAL CG1 1 1 19 5529 1 1 8 VAL CG2 C -6.421 -3.320 -4.742 1.00 . A A . 8 VAL CG2 1 1 19 5530 1 1 8 VAL H H -4.298 -1.599 -4.934 1.00 . A A . 8 VAL H 1 1 19 5531 1 1 8 VAL HA H -6.944 -0.707 -5.343 1.00 . A A . 8 VAL HA 1 1 19 5532 1 1 8 VAL HB H -5.810 -2.255 -3.008 1.00 . A A . 8 VAL HB 1 1 19 5533 1 1 8 VAL HG11 H -8.485 -1.270 -3.614 1.00 . A A . 8 VAL HG11 1 1 19 5534 1 1 8 VAL HG12 H -8.431 -3.011 -3.334 1.00 . A A . 8 VAL HG12 1 1 19 5535 1 1 8 VAL HG13 H -7.824 -1.900 -2.106 1.00 . A A . 8 VAL HG13 1 1 19 5536 1 1 8 VAL HG21 H -6.562 -2.987 -5.759 1.00 . A A . 8 VAL HG21 1 1 19 5537 1 1 8 VAL HG22 H -5.443 -3.765 -4.640 1.00 . A A . 8 VAL HG22 1 1 19 5538 1 1 8 VAL HG23 H -7.177 -4.051 -4.495 1.00 . A A . 8 VAL HG23 1 1 19 5539 1 1 8 VAL N N -4.893 -0.846 -5.132 1.00 . A A . 8 VAL N 1 1 19 5540 1 1 8 VAL O O -7.262 1.190 -3.733 1.00 . A A . 8 VAL O 1 1 19 5541 1 1 9 VAL C C -4.848 2.717 -2.097 1.00 . A A . 9 VAL C 1 1 19 5542 1 1 9 VAL CA C -5.540 1.462 -1.579 1.00 . A A . 9 VAL CA 1 1 19 5543 1 1 9 VAL CB C -4.869 1.025 -0.263 1.00 . A A . 9 VAL CB 1 1 19 5544 1 1 9 VAL CG1 C -5.092 2.067 0.822 1.00 . A A . 9 VAL CG1 1 1 19 5545 1 1 9 VAL CG2 C -5.392 -0.334 0.176 1.00 . A A . 9 VAL CG2 1 1 19 5546 1 1 9 VAL H H -4.823 -0.304 -2.500 1.00 . A A . 9 VAL H 1 1 19 5547 1 1 9 VAL HA H -6.575 1.692 -1.371 1.00 . A A . 9 VAL HA 1 1 19 5548 1 1 9 VAL HB H -3.806 0.939 -0.436 1.00 . A A . 9 VAL HB 1 1 19 5549 1 1 9 VAL HG11 H -6.135 2.079 1.100 1.00 . A A . 9 VAL HG11 1 1 19 5550 1 1 9 VAL HG12 H -4.491 1.822 1.686 1.00 . A A . 9 VAL HG12 1 1 19 5551 1 1 9 VAL HG13 H -4.808 3.040 0.450 1.00 . A A . 9 VAL HG13 1 1 19 5552 1 1 9 VAL HG21 H -5.078 -0.531 1.190 1.00 . A A . 9 VAL HG21 1 1 19 5553 1 1 9 VAL HG22 H -6.471 -0.337 0.125 1.00 . A A . 9 VAL HG22 1 1 19 5554 1 1 9 VAL HG23 H -4.999 -1.100 -0.477 1.00 . A A . 9 VAL HG23 1 1 19 5555 1 1 9 VAL N N -5.506 0.395 -2.572 1.00 . A A . 9 VAL N 1 1 19 5556 1 1 9 VAL O O -5.177 3.832 -1.692 1.00 . A A . 9 VAL O 1 1 19 5557 1 1 10 GLY C C -4.068 4.609 -4.311 1.00 . A A . 10 GLY C 1 1 19 5558 1 1 10 GLY CA C -3.163 3.656 -3.555 1.00 . A A . 10 GLY CA 1 1 19 5559 1 1 10 GLY H H -3.667 1.617 -3.281 1.00 . A A . 10 GLY H 1 1 19 5560 1 1 10 GLY HA2 H -2.680 4.194 -2.753 1.00 . A A . 10 GLY HA2 1 1 19 5561 1 1 10 GLY HA3 H -2.407 3.283 -4.232 1.00 . A A . 10 GLY HA3 1 1 19 5562 1 1 10 GLY N N -3.886 2.529 -2.996 1.00 . A A . 10 GLY N 1 1 19 5563 1 1 10 GLY O O -3.710 5.763 -4.541 1.00 . A A . 10 GLY O 1 1 19 5564 1 1 11 ALA C C -7.072 5.754 -4.480 1.00 . A A . 11 ALA C 1 1 19 5565 1 1 11 ALA CA C -6.202 4.941 -5.432 1.00 . A A . 11 ALA CA 1 1 19 5566 1 1 11 ALA CB C -7.068 4.064 -6.324 1.00 . A A . 11 ALA CB 1 1 19 5567 1 1 11 ALA H H -5.471 3.195 -4.485 1.00 . A A . 11 ALA H 1 1 19 5568 1 1 11 ALA HA H -5.647 5.619 -6.065 1.00 . A A . 11 ALA HA 1 1 19 5569 1 1 11 ALA HB1 H -8.110 4.234 -6.091 1.00 . A A . 11 ALA HB1 1 1 19 5570 1 1 11 ALA HB2 H -6.886 4.312 -7.359 1.00 . A A . 11 ALA HB2 1 1 19 5571 1 1 11 ALA HB3 H -6.825 3.026 -6.154 1.00 . A A . 11 ALA HB3 1 1 19 5572 1 1 11 ALA N N -5.243 4.124 -4.699 1.00 . A A . 11 ALA N 1 1 19 5573 1 1 11 ALA O O -7.298 6.944 -4.693 1.00 . A A . 11 ALA O 1 1 19 5574 1 1 12 GLY C C -8.991 4.830 -1.437 1.00 . A A . 12 GLY C 1 1 19 5575 1 1 12 GLY CA C -8.399 5.781 -2.459 1.00 . A A . 12 GLY CA 1 1 19 5576 1 1 12 GLY H H -7.345 4.153 -3.308 1.00 . A A . 12 GLY H 1 1 19 5577 1 1 12 GLY HA2 H -7.809 6.524 -1.944 1.00 . A A . 12 GLY HA2 1 1 19 5578 1 1 12 GLY HA3 H -9.205 6.275 -2.982 1.00 . A A . 12 GLY HA3 1 1 19 5579 1 1 12 GLY N N -7.559 5.102 -3.428 1.00 . A A . 12 GLY N 1 1 19 5580 1 1 12 GLY O O -9.124 5.173 -0.264 1.00 . A A . 12 GLY O 1 1 19 5581 1 1 13 GLY C C -11.155 1.979 -1.574 1.00 . A A . 13 GLY C 1 1 19 5582 1 1 13 GLY CA C -9.925 2.646 -0.989 1.00 . A A . 13 GLY CA 1 1 19 5583 1 1 13 GLY H H -9.218 3.411 -2.832 1.00 . A A . 13 GLY H 1 1 19 5584 1 1 13 GLY HA2 H -9.185 1.889 -0.777 1.00 . A A . 13 GLY HA2 1 1 19 5585 1 1 13 GLY HA3 H -10.201 3.134 -0.066 1.00 . A A . 13 GLY HA3 1 1 19 5586 1 1 13 GLY N N -9.348 3.630 -1.885 1.00 . A A . 13 GLY N 1 1 19 5587 1 1 13 GLY O O -12.280 2.419 -1.339 1.00 . A A . 13 GLY O 1 1 19 5588 1 1 14 VAL C C -12.670 -0.797 -1.985 1.00 . A A . 14 VAL C 1 1 19 5589 1 1 14 VAL CA C -12.039 0.187 -2.964 1.00 . A A . 14 VAL CA 1 1 19 5590 1 1 14 VAL CB C -11.569 -0.580 -4.214 1.00 . A A . 14 VAL CB 1 1 19 5591 1 1 14 VAL CG1 C -12.752 -1.217 -4.927 1.00 . A A . 14 VAL CG1 1 1 19 5592 1 1 14 VAL CG2 C -10.806 0.345 -5.150 1.00 . A A . 14 VAL CG2 1 1 19 5593 1 1 14 VAL H H -10.020 0.612 -2.493 1.00 . A A . 14 VAL H 1 1 19 5594 1 1 14 VAL HA H -12.786 0.906 -3.269 1.00 . A A . 14 VAL HA 1 1 19 5595 1 1 14 VAL HB H -10.901 -1.368 -3.898 1.00 . A A . 14 VAL HB 1 1 19 5596 1 1 14 VAL HG11 H -13.575 -0.519 -4.952 1.00 . A A . 14 VAL HG11 1 1 19 5597 1 1 14 VAL HG12 H -12.467 -1.477 -5.936 1.00 . A A . 14 VAL HG12 1 1 19 5598 1 1 14 VAL HG13 H -13.053 -2.109 -4.396 1.00 . A A . 14 VAL HG13 1 1 19 5599 1 1 14 VAL HG21 H -11.116 0.162 -6.169 1.00 . A A . 14 VAL HG21 1 1 19 5600 1 1 14 VAL HG22 H -11.015 1.372 -4.889 1.00 . A A . 14 VAL HG22 1 1 19 5601 1 1 14 VAL HG23 H -9.746 0.158 -5.058 1.00 . A A . 14 VAL HG23 1 1 19 5602 1 1 14 VAL N N -10.940 0.915 -2.342 1.00 . A A . 14 VAL N 1 1 19 5603 1 1 14 VAL O O -13.891 -0.939 -1.931 1.00 . A A . 14 VAL O 1 1 19 5604 1 1 15 GLY C C -11.963 -3.864 -0.609 1.00 . A A . 15 GLY C 1 1 19 5605 1 1 15 GLY CA C -12.322 -2.437 -0.243 1.00 . A A . 15 GLY CA 1 1 19 5606 1 1 15 GLY H H -10.865 -1.321 -1.297 1.00 . A A . 15 GLY H 1 1 19 5607 1 1 15 GLY HA2 H -11.901 -2.207 0.724 1.00 . A A . 15 GLY HA2 1 1 19 5608 1 1 15 GLY HA3 H -13.398 -2.353 -0.185 1.00 . A A . 15 GLY HA3 1 1 19 5609 1 1 15 GLY N N -11.829 -1.475 -1.211 1.00 . A A . 15 GLY N 1 1 19 5610 1 1 15 GLY O O -12.583 -4.812 -0.126 1.00 . A A . 15 GLY O 1 1 19 5611 1 1 16 LYS C C -9.280 -5.779 -1.122 1.00 . A A . 16 LYS C 1 1 19 5612 1 1 16 LYS CA C -10.518 -5.339 -1.897 1.00 . A A . 16 LYS CA 1 1 19 5613 1 1 16 LYS CB C -10.218 -5.334 -3.398 1.00 . A A . 16 LYS CB 1 1 19 5614 1 1 16 LYS CD C -12.605 -5.392 -4.179 1.00 . A A . 16 LYS CD 1 1 19 5615 1 1 16 LYS CE C -13.566 -4.763 -3.182 1.00 . A A . 16 LYS CE 1 1 19 5616 1 1 16 LYS CG C -11.284 -4.642 -4.229 1.00 . A A . 16 LYS CG 1 1 19 5617 1 1 16 LYS H H -10.504 -3.224 -1.816 1.00 . A A . 16 LYS H 1 1 19 5618 1 1 16 LYS HA H -11.318 -6.037 -1.701 1.00 . A A . 16 LYS HA 1 1 19 5619 1 1 16 LYS HB2 H -9.278 -4.829 -3.563 1.00 . A A . 16 LYS HB2 1 1 19 5620 1 1 16 LYS HB3 H -10.132 -6.356 -3.739 1.00 . A A . 16 LYS HB3 1 1 19 5621 1 1 16 LYS HD2 H -13.057 -5.373 -5.159 1.00 . A A . 16 LYS HD2 1 1 19 5622 1 1 16 LYS HD3 H -12.416 -6.416 -3.887 1.00 . A A . 16 LYS HD3 1 1 19 5623 1 1 16 LYS HE2 H -13.442 -5.249 -2.226 1.00 . A A . 16 LYS HE2 1 1 19 5624 1 1 16 LYS HE3 H -13.328 -3.714 -3.085 1.00 . A A . 16 LYS HE3 1 1 19 5625 1 1 16 LYS HG2 H -11.435 -3.644 -3.845 1.00 . A A . 16 LYS HG2 1 1 19 5626 1 1 16 LYS HG3 H -10.950 -4.589 -5.255 1.00 . A A . 16 LYS HG3 1 1 19 5627 1 1 16 LYS HZ1 H -15.571 -5.223 -2.821 1.00 . A A . 16 LYS HZ1 1 1 19 5628 1 1 16 LYS HZ2 H -15.055 -5.592 -4.390 1.00 . A A . 16 LYS HZ2 1 1 19 5629 1 1 16 LYS HZ3 H -15.345 -3.985 -3.951 1.00 . A A . 16 LYS HZ3 1 1 19 5630 1 1 16 LYS N N -10.960 -4.018 -1.465 1.00 . A A . 16 LYS N 1 1 19 5631 1 1 16 LYS NZ N -14.984 -4.900 -3.616 1.00 . A A . 16 LYS NZ 1 1 19 5632 1 1 16 LYS O O -9.294 -6.804 -0.441 1.00 . A A . 16 LYS O 1 1 19 5633 1 1 17 SER C C -7.210 -5.546 0.947 1.00 . A A . 17 SER C 1 1 19 5634 1 1 17 SER CA C -6.964 -5.307 -0.540 1.00 . A A . 17 SER CA 1 1 19 5635 1 1 17 SER CB C -5.957 -4.170 -0.726 1.00 . A A . 17 SER CB 1 1 19 5636 1 1 17 SER H H -8.262 -4.192 -1.787 1.00 . A A . 17 SER H 1 1 19 5637 1 1 17 SER HA H -6.560 -6.209 -0.975 1.00 . A A . 17 SER HA 1 1 19 5638 1 1 17 SER HB2 H -5.323 -4.389 -1.571 1.00 . A A . 17 SER HB2 1 1 19 5639 1 1 17 SER HB3 H -6.490 -3.247 -0.905 1.00 . A A . 17 SER HB3 1 1 19 5640 1 1 17 SER HG H -4.974 -3.081 0.572 1.00 . A A . 17 SER HG 1 1 19 5641 1 1 17 SER N N -8.211 -4.996 -1.229 1.00 . A A . 17 SER N 1 1 19 5642 1 1 17 SER O O -6.495 -6.314 1.590 1.00 . A A . 17 SER O 1 1 19 5643 1 1 17 SER OG O -5.146 -4.014 0.426 1.00 . A A . 17 SER OG 1 1 19 5644 1 1 18 HIS C C -8.725 -6.489 3.276 1.00 . A A . 18 HIS C 1 1 19 5645 1 1 18 HIS CA C -8.569 -5.020 2.897 1.00 . A A . 18 HIS CA 1 1 19 5646 1 1 18 HIS CB C -9.859 -4.261 3.209 1.00 . A A . 18 HIS CB 1 1 19 5647 1 1 18 HIS CD2 C -9.838 -1.874 4.223 1.00 . A A . 18 HIS CD2 1 1 19 5648 1 1 18 HIS CE1 C -9.257 -0.765 2.423 1.00 . A A . 18 HIS CE1 1 1 19 5649 1 1 18 HIS CG C -9.690 -2.773 3.222 1.00 . A A . 18 HIS CG 1 1 19 5650 1 1 18 HIS H H -8.759 -4.282 0.922 1.00 . A A . 18 HIS H 1 1 19 5651 1 1 18 HIS HA H -7.763 -4.596 3.477 1.00 . A A . 18 HIS HA 1 1 19 5652 1 1 18 HIS HB2 H -10.600 -4.503 2.462 1.00 . A A . 18 HIS HB2 1 1 19 5653 1 1 18 HIS HB3 H -10.221 -4.563 4.181 1.00 . A A . 18 HIS HB3 1 1 19 5654 1 1 18 HIS HD1 H -9.146 -2.415 1.218 1.00 . A A . 18 HIS HD1 1 1 19 5655 1 1 18 HIS HD2 H -10.119 -2.091 5.244 1.00 . A A . 18 HIS HD2 1 1 19 5656 1 1 18 HIS HE1 H -8.996 0.038 1.750 1.00 . A A . 18 HIS HE1 1 1 19 5657 1 1 18 HIS N N -8.227 -4.880 1.486 1.00 . A A . 18 HIS N 1 1 19 5658 1 1 18 HIS ND1 N -9.327 -2.046 2.107 1.00 . A A . 18 HIS ND1 1 1 19 5659 1 1 18 HIS NE2 N -9.563 -0.634 3.701 1.00 . A A . 18 HIS NE2 1 1 19 5660 1 1 18 HIS O O -8.466 -6.879 4.415 1.00 . A A . 18 HIS O 1 1 19 5661 1 1 19 VAL C C -8.061 -9.379 3.054 1.00 . A A . 19 VAL C 1 1 19 5662 1 1 19 VAL CA C -9.343 -8.728 2.546 1.00 . A A . 19 VAL CA 1 1 19 5663 1 1 19 VAL CB C -9.798 -9.449 1.263 1.00 . A A . 19 VAL CB 1 1 19 5664 1 1 19 VAL CG1 C -9.976 -10.938 1.522 1.00 . A A . 19 VAL CG1 1 1 19 5665 1 1 19 VAL CG2 C -11.086 -8.834 0.735 1.00 . A A . 19 VAL CG2 1 1 19 5666 1 1 19 VAL H H -9.342 -6.932 1.426 1.00 . A A . 19 VAL H 1 1 19 5667 1 1 19 VAL HA H -10.115 -8.844 3.293 1.00 . A A . 19 VAL HA 1 1 19 5668 1 1 19 VAL HB H -9.031 -9.326 0.513 1.00 . A A . 19 VAL HB 1 1 19 5669 1 1 19 VAL HG11 H -10.944 -11.252 1.160 1.00 . A A . 19 VAL HG11 1 1 19 5670 1 1 19 VAL HG12 H -9.201 -11.488 1.007 1.00 . A A . 19 VAL HG12 1 1 19 5671 1 1 19 VAL HG13 H -9.909 -11.129 2.583 1.00 . A A . 19 VAL HG13 1 1 19 5672 1 1 19 VAL HG21 H -10.987 -8.645 -0.323 1.00 . A A . 19 VAL HG21 1 1 19 5673 1 1 19 VAL HG22 H -11.906 -9.516 0.905 1.00 . A A . 19 VAL HG22 1 1 19 5674 1 1 19 VAL HG23 H -11.279 -7.904 1.250 1.00 . A A . 19 VAL HG23 1 1 19 5675 1 1 19 VAL N N -9.152 -7.301 2.314 1.00 . A A . 19 VAL N 1 1 19 5676 1 1 19 VAL O O -8.081 -10.143 4.018 1.00 . A A . 19 VAL O 1 1 19 5677 1 1 20 TRP C C -4.902 -8.665 3.698 1.00 . A A . 20 TRP C 1 1 19 5678 1 1 20 TRP CA C -5.656 -9.625 2.784 1.00 . A A . 20 TRP CA 1 1 19 5679 1 1 20 TRP CB C -4.817 -9.930 1.542 1.00 . A A . 20 TRP CB 1 1 19 5680 1 1 20 TRP CD1 C -6.283 -10.132 -0.551 1.00 . A A . 20 TRP CD1 1 1 19 5681 1 1 20 TRP CD2 C -5.697 -12.094 0.355 1.00 . A A . 20 TRP CD2 1 1 19 5682 1 1 20 TRP CE2 C -6.494 -12.343 -0.779 1.00 . A A . 20 TRP CE2 1 1 19 5683 1 1 20 TRP CE3 C -5.209 -13.180 1.087 1.00 . A A . 20 TRP CE3 1 1 19 5684 1 1 20 TRP CG C -5.573 -10.673 0.483 1.00 . A A . 20 TRP CG 1 1 19 5685 1 1 20 TRP CH2 C -6.324 -14.677 -0.459 1.00 . A A . 20 TRP CH2 1 1 19 5686 1 1 20 TRP CZ2 C -6.815 -13.633 -1.194 1.00 . A A . 20 TRP CZ2 1 1 19 5687 1 1 20 TRP CZ3 C -5.528 -14.459 0.674 1.00 . A A . 20 TRP CZ3 1 1 19 5688 1 1 20 TRP H H -6.996 -8.454 1.637 1.00 . A A . 20 TRP H 1 1 19 5689 1 1 20 TRP HA H -5.837 -10.545 3.320 1.00 . A A . 20 TRP HA 1 1 19 5690 1 1 20 TRP HB2 H -4.469 -9.002 1.113 1.00 . A A . 20 TRP HB2 1 1 19 5691 1 1 20 TRP HB3 H -3.967 -10.531 1.829 1.00 . A A . 20 TRP HB3 1 1 19 5692 1 1 20 TRP HD1 H -6.384 -9.072 -0.729 1.00 . A A . 20 TRP HD1 1 1 19 5693 1 1 20 TRP HE1 H -7.394 -10.995 -2.111 1.00 . A A . 20 TRP HE1 1 1 19 5694 1 1 20 TRP HE3 H -4.594 -13.032 1.963 1.00 . A A . 20 TRP HE3 1 1 19 5695 1 1 20 TRP HH2 H -6.548 -15.693 -0.745 1.00 . A A . 20 TRP HH2 1 1 19 5696 1 1 20 TRP HZ2 H -7.427 -13.817 -2.065 1.00 . A A . 20 TRP HZ2 1 1 19 5697 1 1 20 TRP HZ3 H -5.161 -15.311 1.227 1.00 . A A . 20 TRP HZ3 1 1 19 5698 1 1 20 TRP N N -6.948 -9.070 2.398 1.00 . A A . 20 TRP N 1 1 19 5699 1 1 20 TRP NE1 N -6.840 -11.130 -1.313 1.00 . A A . 20 TRP NE1 1 1 19 5700 1 1 20 TRP O O -4.512 -9.025 4.808 1.00 . A A . 20 TRP O 1 1 20 5701 1 1 1 MET C C 3.024 -0.889 -0.885 1.00 . A A . 1 MET C 1 1 20 5702 1 1 1 MET CA C 1.884 0.125 -0.860 1.00 . A A . 1 MET CA 1 1 20 5703 1 1 1 MET CB C 2.446 1.544 -0.973 1.00 . A A . 1 MET CB 1 1 20 5704 1 1 1 MET CE C 4.217 3.802 -3.917 1.00 . A A . 1 MET CE 1 1 20 5705 1 1 1 MET CG C 3.076 1.842 -2.323 1.00 . A A . 1 MET CG 1 1 20 5706 1 1 1 MET H1 H 1.527 0.126 1.226 1.00 . A A . 1 MET H1 1 1 20 5707 1 1 1 MET HA H 1.233 -0.062 -1.701 1.00 . A A . 1 MET HA 1 1 20 5708 1 1 1 MET HB2 H 1.645 2.249 -0.809 1.00 . A A . 1 MET HB2 1 1 20 5709 1 1 1 MET HB3 H 3.199 1.682 -0.211 1.00 . A A . 1 MET HB3 1 1 20 5710 1 1 1 MET HE1 H 5.217 4.000 -4.274 1.00 . A A . 1 MET HE1 1 1 20 5711 1 1 1 MET HE2 H 3.745 3.071 -4.557 1.00 . A A . 1 MET HE2 1 1 20 5712 1 1 1 MET HE3 H 3.642 4.716 -3.929 1.00 . A A . 1 MET HE3 1 1 20 5713 1 1 1 MET HG2 H 3.563 0.948 -2.685 1.00 . A A . 1 MET HG2 1 1 20 5714 1 1 1 MET HG3 H 2.296 2.129 -3.013 1.00 . A A . 1 MET HG3 1 1 20 5715 1 1 1 MET N N 1.094 -0.011 0.357 1.00 . A A . 1 MET N 1 1 20 5716 1 1 1 MET O O 4.191 -0.524 -1.032 1.00 . A A . 1 MET O 1 1 20 5717 1 1 1 MET SD S 4.295 3.169 -2.243 1.00 . A A . 1 MET SD 1 1 20 5718 1 1 2 THR C C 3.428 -4.205 -1.890 1.00 . A A . 2 THR C 1 1 20 5719 1 1 2 THR CA C 3.672 -3.231 -0.743 1.00 . A A . 2 THR CA 1 1 20 5720 1 1 2 THR CB C 3.667 -4.008 0.586 1.00 . A A . 2 THR CB 1 1 20 5721 1 1 2 THR CG2 C 2.381 -4.805 0.742 1.00 . A A . 2 THR CG2 1 1 20 5722 1 1 2 THR H H 1.732 -2.392 -0.625 1.00 . A A . 2 THR H 1 1 20 5723 1 1 2 THR HA H 4.645 -2.779 -0.868 1.00 . A A . 2 THR HA 1 1 20 5724 1 1 2 THR HB H 3.735 -3.300 1.400 1.00 . A A . 2 THR HB 1 1 20 5725 1 1 2 THR HG1 H 5.454 -4.532 1.235 1.00 . A A . 2 THR HG1 1 1 20 5726 1 1 2 THR HG21 H 2.354 -5.256 1.723 1.00 . A A . 2 THR HG21 1 1 20 5727 1 1 2 THR HG22 H 2.343 -5.579 -0.010 1.00 . A A . 2 THR HG22 1 1 20 5728 1 1 2 THR HG23 H 1.533 -4.147 0.625 1.00 . A A . 2 THR HG23 1 1 20 5729 1 1 2 THR N N 2.678 -2.164 -0.739 1.00 . A A . 2 THR N 1 1 20 5730 1 1 2 THR O O 4.365 -4.798 -2.422 1.00 . A A . 2 THR O 1 1 20 5731 1 1 2 THR OG1 O 4.792 -4.893 0.641 1.00 . A A . 2 THR OG1 1 1 20 5732 1 1 3 GLU C C 0.527 -4.794 -4.049 1.00 . A A . 3 GLU C 1 1 20 5733 1 1 3 GLU CA C 1.797 -5.270 -3.349 1.00 . A A . 3 GLU CA 1 1 20 5734 1 1 3 GLU CB C 1.595 -6.689 -2.813 1.00 . A A . 3 GLU CB 1 1 20 5735 1 1 3 GLU CD C 1.699 -7.801 -5.079 1.00 . A A . 3 GLU CD 1 1 20 5736 1 1 3 GLU CG C 0.907 -7.619 -3.798 1.00 . A A . 3 GLU CG 1 1 20 5737 1 1 3 GLU H H 1.459 -3.866 -1.801 1.00 . A A . 3 GLU H 1 1 20 5738 1 1 3 GLU HA H 2.606 -5.276 -4.063 1.00 . A A . 3 GLU HA 1 1 20 5739 1 1 3 GLU HB2 H 2.559 -7.108 -2.567 1.00 . A A . 3 GLU HB2 1 1 20 5740 1 1 3 GLU HB3 H 0.994 -6.640 -1.917 1.00 . A A . 3 GLU HB3 1 1 20 5741 1 1 3 GLU HG2 H 0.779 -8.585 -3.333 1.00 . A A . 3 GLU HG2 1 1 20 5742 1 1 3 GLU HG3 H -0.061 -7.209 -4.046 1.00 . A A . 3 GLU HG3 1 1 20 5743 1 1 3 GLU N N 2.162 -4.366 -2.265 1.00 . A A . 3 GLU N 1 1 20 5744 1 1 3 GLU O O 0.559 -4.399 -5.215 1.00 . A A . 3 GLU O 1 1 20 5745 1 1 3 GLU OE1 O 1.829 -6.819 -5.839 1.00 . A A . 3 GLU OE1 1 1 20 5746 1 1 3 GLU OE2 O 2.187 -8.924 -5.321 1.00 . A A . 3 GLU OE2 1 1 20 5747 1 1 4 TYR C C -2.314 -3.084 -3.272 1.00 . A A . 4 TYR C 1 1 20 5748 1 1 4 TYR CA C -1.870 -4.410 -3.882 1.00 . A A . 4 TYR CA 1 1 20 5749 1 1 4 TYR CB C -2.935 -5.480 -3.634 1.00 . A A . 4 TYR CB 1 1 20 5750 1 1 4 TYR CD1 C -3.113 -5.395 -1.116 1.00 . A A . 4 TYR CD1 1 1 20 5751 1 1 4 TYR CD2 C -2.483 -7.458 -2.130 1.00 . A A . 4 TYR CD2 1 1 20 5752 1 1 4 TYR CE1 C -3.028 -5.978 0.133 1.00 . A A . 4 TYR CE1 1 1 20 5753 1 1 4 TYR CE2 C -2.397 -8.049 -0.885 1.00 . A A . 4 TYR CE2 1 1 20 5754 1 1 4 TYR CG C -2.842 -6.122 -2.268 1.00 . A A . 4 TYR CG 1 1 20 5755 1 1 4 TYR CZ C -2.670 -7.305 0.244 1.00 . A A . 4 TYR CZ 1 1 20 5756 1 1 4 TYR H H -0.551 -5.158 -2.406 1.00 . A A . 4 TYR H 1 1 20 5757 1 1 4 TYR HA H -1.746 -4.280 -4.947 1.00 . A A . 4 TYR HA 1 1 20 5758 1 1 4 TYR HB2 H -3.913 -5.032 -3.723 1.00 . A A . 4 TYR HB2 1 1 20 5759 1 1 4 TYR HB3 H -2.832 -6.259 -4.375 1.00 . A A . 4 TYR HB3 1 1 20 5760 1 1 4 TYR HD1 H -3.394 -4.355 -1.206 1.00 . A A . 4 TYR HD1 1 1 20 5761 1 1 4 TYR HD2 H -2.269 -8.038 -3.016 1.00 . A A . 4 TYR HD2 1 1 20 5762 1 1 4 TYR HE1 H -3.243 -5.395 1.017 1.00 . A A . 4 TYR HE1 1 1 20 5763 1 1 4 TYR HE2 H -2.116 -9.089 -0.798 1.00 . A A . 4 TYR HE2 1 1 20 5764 1 1 4 TYR HH H -2.907 -7.276 2.151 1.00 . A A . 4 TYR HH 1 1 20 5765 1 1 4 TYR N N -0.589 -4.834 -3.330 1.00 . A A . 4 TYR N 1 1 20 5766 1 1 4 TYR O O -3.121 -2.359 -3.853 1.00 . A A . 4 TYR O 1 1 20 5767 1 1 4 TYR OH O -2.586 -7.890 1.487 1.00 . A A . 4 TYR OH 1 1 20 5768 1 1 5 LYS C C -1.609 -0.322 -2.183 1.00 . A A . 5 LYS C 1 1 20 5769 1 1 5 LYS CA C -2.116 -1.533 -1.406 1.00 . A A . 5 LYS CA 1 1 20 5770 1 1 5 LYS CB C -1.522 -1.533 0.005 1.00 . A A . 5 LYS CB 1 1 20 5771 1 1 5 LYS CD C -1.335 -3.004 2.032 1.00 . A A . 5 LYS CD 1 1 20 5772 1 1 5 LYS CE C -0.841 -1.926 2.985 1.00 . A A . 5 LYS CE 1 1 20 5773 1 1 5 LYS CG C -2.267 -2.430 0.978 1.00 . A A . 5 LYS CG 1 1 20 5774 1 1 5 LYS H H -1.141 -3.392 -1.683 1.00 . A A . 5 LYS H 1 1 20 5775 1 1 5 LYS HA H -3.192 -1.475 -1.335 1.00 . A A . 5 LYS HA 1 1 20 5776 1 1 5 LYS HB2 H -0.497 -1.869 -0.049 1.00 . A A . 5 LYS HB2 1 1 20 5777 1 1 5 LYS HB3 H -1.542 -0.524 0.390 1.00 . A A . 5 LYS HB3 1 1 20 5778 1 1 5 LYS HD2 H -1.866 -3.754 2.600 1.00 . A A . 5 LYS HD2 1 1 20 5779 1 1 5 LYS HD3 H -0.485 -3.455 1.541 1.00 . A A . 5 LYS HD3 1 1 20 5780 1 1 5 LYS HE2 H 0.083 -2.257 3.434 1.00 . A A . 5 LYS HE2 1 1 20 5781 1 1 5 LYS HE3 H -0.665 -1.021 2.424 1.00 . A A . 5 LYS HE3 1 1 20 5782 1 1 5 LYS HG2 H -3.037 -1.853 1.469 1.00 . A A . 5 LYS HG2 1 1 20 5783 1 1 5 LYS HG3 H -2.720 -3.244 0.430 1.00 . A A . 5 LYS HG3 1 1 20 5784 1 1 5 LYS HZ1 H -2.645 -2.282 3.977 1.00 . A A . 5 LYS HZ1 1 1 20 5785 1 1 5 LYS HZ2 H -2.162 -0.661 3.993 1.00 . A A . 5 LYS HZ2 1 1 20 5786 1 1 5 LYS HZ3 H -1.391 -1.783 4.996 1.00 . A A . 5 LYS HZ3 1 1 20 5787 1 1 5 LYS N N -1.779 -2.773 -2.096 1.00 . A A . 5 LYS N 1 1 20 5788 1 1 5 LYS NZ N -1.829 -1.643 4.063 1.00 . A A . 5 LYS NZ 1 1 20 5789 1 1 5 LYS O O -2.003 0.812 -1.910 1.00 . A A . 5 LYS O 1 1 20 5790 1 1 6 LEU C C -1.083 0.812 -5.154 1.00 . A A . 6 LEU C 1 1 20 5791 1 1 6 LEU CA C -0.174 0.500 -3.969 1.00 . A A . 6 LEU CA 1 1 20 5792 1 1 6 LEU CB C 1.218 0.111 -4.469 1.00 . A A . 6 LEU CB 1 1 20 5793 1 1 6 LEU CD1 C 1.433 -0.757 -6.811 1.00 . A A . 6 LEU CD1 1 1 20 5794 1 1 6 LEU CD2 C 2.448 -2.029 -4.911 1.00 . A A . 6 LEU CD2 1 1 20 5795 1 1 6 LEU CG C 1.292 -1.140 -5.346 1.00 . A A . 6 LEU CG 1 1 20 5796 1 1 6 LEU H H -0.458 -1.495 -3.321 1.00 . A A . 6 LEU H 1 1 20 5797 1 1 6 LEU HA H -0.093 1.381 -3.351 1.00 . A A . 6 LEU HA 1 1 20 5798 1 1 6 LEU HB2 H 1.607 0.939 -5.041 1.00 . A A . 6 LEU HB2 1 1 20 5799 1 1 6 LEU HB3 H 1.845 -0.053 -3.604 1.00 . A A . 6 LEU HB3 1 1 20 5800 1 1 6 LEU HD11 H 1.196 -1.608 -7.430 1.00 . A A . 6 LEU HD11 1 1 20 5801 1 1 6 LEU HD12 H 2.448 -0.443 -7.004 1.00 . A A . 6 LEU HD12 1 1 20 5802 1 1 6 LEU HD13 H 0.757 0.054 -7.038 1.00 . A A . 6 LEU HD13 1 1 20 5803 1 1 6 LEU HD21 H 2.365 -2.989 -5.397 1.00 . A A . 6 LEU HD21 1 1 20 5804 1 1 6 LEU HD22 H 2.415 -2.163 -3.840 1.00 . A A . 6 LEU HD22 1 1 20 5805 1 1 6 LEU HD23 H 3.383 -1.563 -5.187 1.00 . A A . 6 LEU HD23 1 1 20 5806 1 1 6 LEU HG H 0.375 -1.703 -5.236 1.00 . A A . 6 LEU HG 1 1 20 5807 1 1 6 LEU N N -0.735 -0.571 -3.151 1.00 . A A . 6 LEU N 1 1 20 5808 1 1 6 LEU O O -0.968 1.868 -5.776 1.00 . A A . 6 LEU O 1 1 20 5809 1 1 7 VAL C C -4.350 0.219 -6.062 1.00 . A A . 7 VAL C 1 1 20 5810 1 1 7 VAL CA C -2.920 0.066 -6.566 1.00 . A A . 7 VAL CA 1 1 20 5811 1 1 7 VAL CB C -2.858 -1.119 -7.548 1.00 . A A . 7 VAL CB 1 1 20 5812 1 1 7 VAL CG1 C -3.859 -0.930 -8.677 1.00 . A A . 7 VAL CG1 1 1 20 5813 1 1 7 VAL CG2 C -1.448 -1.282 -8.096 1.00 . A A . 7 VAL CG2 1 1 20 5814 1 1 7 VAL H H -2.032 -0.933 -4.925 1.00 . A A . 7 VAL H 1 1 20 5815 1 1 7 VAL HA H -2.638 0.963 -7.099 1.00 . A A . 7 VAL HA 1 1 20 5816 1 1 7 VAL HB H -3.119 -2.019 -7.011 1.00 . A A . 7 VAL HB 1 1 20 5817 1 1 7 VAL HG11 H -3.636 -1.624 -9.475 1.00 . A A . 7 VAL HG11 1 1 20 5818 1 1 7 VAL HG12 H -4.858 -1.114 -8.307 1.00 . A A . 7 VAL HG12 1 1 20 5819 1 1 7 VAL HG13 H -3.794 0.081 -9.051 1.00 . A A . 7 VAL HG13 1 1 20 5820 1 1 7 VAL HG21 H -1.496 -1.645 -9.112 1.00 . A A . 7 VAL HG21 1 1 20 5821 1 1 7 VAL HG22 H -0.943 -0.328 -8.078 1.00 . A A . 7 VAL HG22 1 1 20 5822 1 1 7 VAL HG23 H -0.904 -1.990 -7.487 1.00 . A A . 7 VAL HG23 1 1 20 5823 1 1 7 VAL N N -1.989 -0.112 -5.459 1.00 . A A . 7 VAL N 1 1 20 5824 1 1 7 VAL O O -5.012 1.222 -6.333 1.00 . A A . 7 VAL O 1 1 20 5825 1 1 8 VAL C C -6.330 0.348 -3.742 1.00 . A A . 8 VAL C 1 1 20 5826 1 1 8 VAL CA C -6.175 -0.757 -4.781 1.00 . A A . 8 VAL CA 1 1 20 5827 1 1 8 VAL CB C -6.545 -2.107 -4.138 1.00 . A A . 8 VAL CB 1 1 20 5828 1 1 8 VAL CG1 C -7.960 -2.063 -3.580 1.00 . A A . 8 VAL CG1 1 1 20 5829 1 1 8 VAL CG2 C -6.396 -3.236 -5.146 1.00 . A A . 8 VAL CG2 1 1 20 5830 1 1 8 VAL H H -4.248 -1.553 -5.143 1.00 . A A . 8 VAL H 1 1 20 5831 1 1 8 VAL HA H -6.860 -0.571 -5.595 1.00 . A A . 8 VAL HA 1 1 20 5832 1 1 8 VAL HB H -5.865 -2.291 -3.319 1.00 . A A . 8 VAL HB 1 1 20 5833 1 1 8 VAL HG11 H -7.935 -2.274 -2.521 1.00 . A A . 8 VAL HG11 1 1 20 5834 1 1 8 VAL HG12 H -8.381 -1.082 -3.743 1.00 . A A . 8 VAL HG12 1 1 20 5835 1 1 8 VAL HG13 H -8.567 -2.804 -4.080 1.00 . A A . 8 VAL HG13 1 1 20 5836 1 1 8 VAL HG21 H -6.595 -2.861 -6.139 1.00 . A A . 8 VAL HG21 1 1 20 5837 1 1 8 VAL HG22 H -5.390 -3.625 -5.103 1.00 . A A . 8 VAL HG22 1 1 20 5838 1 1 8 VAL HG23 H -7.097 -4.024 -4.912 1.00 . A A . 8 VAL HG23 1 1 20 5839 1 1 8 VAL N N -4.823 -0.781 -5.325 1.00 . A A . 8 VAL N 1 1 20 5840 1 1 8 VAL O O -7.169 1.237 -3.886 1.00 . A A . 8 VAL O 1 1 20 5841 1 1 9 VAL C C -4.873 2.574 -2.059 1.00 . A A . 9 VAL C 1 1 20 5842 1 1 9 VAL CA C -5.559 1.282 -1.631 1.00 . A A . 9 VAL CA 1 1 20 5843 1 1 9 VAL CB C -4.891 0.761 -0.345 1.00 . A A . 9 VAL CB 1 1 20 5844 1 1 9 VAL CG1 C -5.125 1.726 0.808 1.00 . A A . 9 VAL CG1 1 1 20 5845 1 1 9 VAL CG2 C -5.408 -0.628 -0.001 1.00 . A A . 9 VAL CG2 1 1 20 5846 1 1 9 VAL H H -4.867 -0.447 -2.635 1.00 . A A . 9 VAL H 1 1 20 5847 1 1 9 VAL HA H -6.596 1.492 -1.413 1.00 . A A . 9 VAL HA 1 1 20 5848 1 1 9 VAL HB H -3.827 0.693 -0.518 1.00 . A A . 9 VAL HB 1 1 20 5849 1 1 9 VAL HG11 H -4.707 2.690 0.560 1.00 . A A . 9 VAL HG11 1 1 20 5850 1 1 9 VAL HG12 H -6.186 1.826 0.984 1.00 . A A . 9 VAL HG12 1 1 20 5851 1 1 9 VAL HG13 H -4.646 1.345 1.698 1.00 . A A . 9 VAL HG13 1 1 20 5852 1 1 9 VAL HG21 H -6.474 -0.584 0.167 1.00 . A A . 9 VAL HG21 1 1 20 5853 1 1 9 VAL HG22 H -5.200 -1.301 -0.820 1.00 . A A . 9 VAL HG22 1 1 20 5854 1 1 9 VAL HG23 H -4.917 -0.985 0.892 1.00 . A A . 9 VAL HG23 1 1 20 5855 1 1 9 VAL N N -5.514 0.286 -2.694 1.00 . A A . 9 VAL N 1 1 20 5856 1 1 9 VAL O O -5.194 3.654 -1.564 1.00 . A A . 9 VAL O 1 1 20 5857 1 1 10 GLY C C -4.124 4.636 -4.122 1.00 . A A . 10 GLY C 1 1 20 5858 1 1 10 GLY CA C -3.208 3.623 -3.465 1.00 . A A . 10 GLY CA 1 1 20 5859 1 1 10 GLY H H -3.711 1.570 -3.343 1.00 . A A . 10 GLY H 1 1 20 5860 1 1 10 GLY HA2 H -2.707 4.093 -2.631 1.00 . A A . 10 GLY HA2 1 1 20 5861 1 1 10 GLY HA3 H -2.467 3.305 -4.184 1.00 . A A . 10 GLY HA3 1 1 20 5862 1 1 10 GLY N N -3.925 2.456 -2.984 1.00 . A A . 10 GLY N 1 1 20 5863 1 1 10 GLY O O -3.772 5.809 -4.250 1.00 . A A . 10 GLY O 1 1 20 5864 1 1 11 ALA C C -7.123 5.791 -4.157 1.00 . A A . 11 ALA C 1 1 20 5865 1 1 11 ALA CA C -6.270 5.060 -5.188 1.00 . A A . 11 ALA CA 1 1 20 5866 1 1 11 ALA CB C -7.152 4.261 -6.136 1.00 . A A . 11 ALA CB 1 1 20 5867 1 1 11 ALA H H -5.524 3.239 -4.410 1.00 . A A . 11 ALA H 1 1 20 5868 1 1 11 ALA HA H -5.724 5.788 -5.771 1.00 . A A . 11 ALA HA 1 1 20 5869 1 1 11 ALA HB1 H -6.779 4.363 -7.145 1.00 . A A . 11 ALA HB1 1 1 20 5870 1 1 11 ALA HB2 H -7.138 3.220 -5.850 1.00 . A A . 11 ALA HB2 1 1 20 5871 1 1 11 ALA HB3 H -8.164 4.635 -6.086 1.00 . A A . 11 ALA HB3 1 1 20 5872 1 1 11 ALA N N -5.301 4.184 -4.540 1.00 . A A . 11 ALA N 1 1 20 5873 1 1 11 ALA O O -7.395 6.983 -4.295 1.00 . A A . 11 ALA O 1 1 20 5874 1 1 12 GLY C C -8.932 4.634 -1.131 1.00 . A A . 12 GLY C 1 1 20 5875 1 1 12 GLY CA C -8.363 5.665 -2.085 1.00 . A A . 12 GLY CA 1 1 20 5876 1 1 12 GLY H H -7.295 4.122 -3.065 1.00 . A A . 12 GLY H 1 1 20 5877 1 1 12 GLY HA2 H -7.761 6.365 -1.525 1.00 . A A . 12 GLY HA2 1 1 20 5878 1 1 12 GLY HA3 H -9.179 6.199 -2.549 1.00 . A A . 12 GLY HA3 1 1 20 5879 1 1 12 GLY N N -7.544 5.068 -3.123 1.00 . A A . 12 GLY N 1 1 20 5880 1 1 12 GLY O O -9.028 4.877 0.071 1.00 . A A . 12 GLY O 1 1 20 5881 1 1 13 GLY C C -11.129 1.825 -1.443 1.00 . A A . 13 GLY C 1 1 20 5882 1 1 13 GLY CA C -9.874 2.426 -0.843 1.00 . A A . 13 GLY CA 1 1 20 5883 1 1 13 GLY H H -9.213 3.342 -2.634 1.00 . A A . 13 GLY H 1 1 20 5884 1 1 13 GLY HA2 H -9.136 1.646 -0.723 1.00 . A A . 13 GLY HA2 1 1 20 5885 1 1 13 GLY HA3 H -10.112 2.834 0.128 1.00 . A A . 13 GLY HA3 1 1 20 5886 1 1 13 GLY N N -9.313 3.479 -1.669 1.00 . A A . 13 GLY N 1 1 20 5887 1 1 13 GLY O O -12.235 2.309 -1.200 1.00 . A A . 13 GLY O 1 1 20 5888 1 1 14 VAL C C -12.689 -0.961 -1.950 1.00 . A A . 14 VAL C 1 1 20 5889 1 1 14 VAL CA C -12.089 0.100 -2.867 1.00 . A A . 14 VAL CA 1 1 20 5890 1 1 14 VAL CB C -11.674 -0.561 -4.195 1.00 . A A . 14 VAL CB 1 1 20 5891 1 1 14 VAL CG1 C -12.884 -1.160 -4.895 1.00 . A A . 14 VAL CG1 1 1 20 5892 1 1 14 VAL CG2 C -10.972 0.446 -5.094 1.00 . A A . 14 VAL CG2 1 1 20 5893 1 1 14 VAL H H -10.054 0.427 -2.385 1.00 . A A . 14 VAL H 1 1 20 5894 1 1 14 VAL HA H -12.841 0.845 -3.079 1.00 . A A . 14 VAL HA 1 1 20 5895 1 1 14 VAL HB H -10.981 -1.360 -3.975 1.00 . A A . 14 VAL HB 1 1 20 5896 1 1 14 VAL HG11 H -13.541 -0.367 -5.220 1.00 . A A . 14 VAL HG11 1 1 20 5897 1 1 14 VAL HG12 H -12.558 -1.733 -5.750 1.00 . A A . 14 VAL HG12 1 1 20 5898 1 1 14 VAL HG13 H -13.413 -1.806 -4.209 1.00 . A A . 14 VAL HG13 1 1 20 5899 1 1 14 VAL HG21 H -11.563 1.348 -5.154 1.00 . A A . 14 VAL HG21 1 1 20 5900 1 1 14 VAL HG22 H -10.001 0.678 -4.684 1.00 . A A . 14 VAL HG22 1 1 20 5901 1 1 14 VAL HG23 H -10.855 0.026 -6.082 1.00 . A A . 14 VAL HG23 1 1 20 5902 1 1 14 VAL N N -10.960 0.767 -2.230 1.00 . A A . 14 VAL N 1 1 20 5903 1 1 14 VAL O O -13.891 -1.222 -1.989 1.00 . A A . 14 VAL O 1 1 20 5904 1 1 15 GLY C C -11.787 -3.973 -0.569 1.00 . A A . 15 GLY C 1 1 20 5905 1 1 15 GLY CA C -12.308 -2.595 -0.209 1.00 . A A . 15 GLY CA 1 1 20 5906 1 1 15 GLY H H -10.895 -1.321 -1.138 1.00 . A A . 15 GLY H 1 1 20 5907 1 1 15 GLY HA2 H -11.979 -2.347 0.789 1.00 . A A . 15 GLY HA2 1 1 20 5908 1 1 15 GLY HA3 H -13.387 -2.615 -0.228 1.00 . A A . 15 GLY HA3 1 1 20 5909 1 1 15 GLY N N -11.842 -1.570 -1.125 1.00 . A A . 15 GLY N 1 1 20 5910 1 1 15 GLY O O -12.341 -4.986 -0.141 1.00 . A A . 15 GLY O 1 1 20 5911 1 1 16 LYS C C -8.996 -5.684 -0.836 1.00 . A A . 16 LYS C 1 1 20 5912 1 1 16 LYS CA C -10.124 -5.276 -1.778 1.00 . A A . 16 LYS CA 1 1 20 5913 1 1 16 LYS CB C -9.593 -5.164 -3.209 1.00 . A A . 16 LYS CB 1 1 20 5914 1 1 16 LYS CD C -11.846 -5.285 -4.313 1.00 . A A . 16 LYS CD 1 1 20 5915 1 1 16 LYS CE C -12.937 -4.756 -3.395 1.00 . A A . 16 LYS CE 1 1 20 5916 1 1 16 LYS CG C -10.560 -4.488 -4.166 1.00 . A A . 16 LYS CG 1 1 20 5917 1 1 16 LYS H H -10.323 -3.171 -1.669 1.00 . A A . 16 LYS H 1 1 20 5918 1 1 16 LYS HA H -10.894 -6.032 -1.748 1.00 . A A . 16 LYS HA 1 1 20 5919 1 1 16 LYS HB2 H -8.676 -4.594 -3.196 1.00 . A A . 16 LYS HB2 1 1 20 5920 1 1 16 LYS HB3 H -9.385 -6.156 -3.582 1.00 . A A . 16 LYS HB3 1 1 20 5921 1 1 16 LYS HD2 H -12.187 -5.216 -5.336 1.00 . A A . 16 LYS HD2 1 1 20 5922 1 1 16 LYS HD3 H -11.649 -6.319 -4.067 1.00 . A A . 16 LYS HD3 1 1 20 5923 1 1 16 LYS HE2 H -12.852 -5.246 -2.437 1.00 . A A . 16 LYS HE2 1 1 20 5924 1 1 16 LYS HE3 H -12.799 -3.693 -3.269 1.00 . A A . 16 LYS HE3 1 1 20 5925 1 1 16 LYS HG2 H -10.800 -3.506 -3.788 1.00 . A A . 16 LYS HG2 1 1 20 5926 1 1 16 LYS HG3 H -10.090 -4.398 -5.135 1.00 . A A . 16 LYS HG3 1 1 20 5927 1 1 16 LYS HZ1 H -14.898 -5.459 -3.230 1.00 . A A . 16 LYS HZ1 1 1 20 5928 1 1 16 LYS HZ2 H -14.235 -5.632 -4.777 1.00 . A A . 16 LYS HZ2 1 1 20 5929 1 1 16 LYS HZ3 H -14.736 -4.110 -4.237 1.00 . A A . 16 LYS HZ3 1 1 20 5930 1 1 16 LYS N N -10.720 -4.013 -1.360 1.00 . A A . 16 LYS N 1 1 20 5931 1 1 16 LYS NZ N -14.297 -5.007 -3.948 1.00 . A A . 16 LYS NZ 1 1 20 5932 1 1 16 LYS O O -9.042 -6.751 -0.224 1.00 . A A . 16 LYS O 1 1 20 5933 1 1 17 SER C C -7.306 -5.458 1.551 1.00 . A A . 17 SER C 1 1 20 5934 1 1 17 SER CA C -6.845 -5.100 0.141 1.00 . A A . 17 SER CA 1 1 20 5935 1 1 17 SER CB C -5.913 -3.888 0.189 1.00 . A A . 17 SER CB 1 1 20 5936 1 1 17 SER H H -8.008 -3.993 -1.239 1.00 . A A . 17 SER H 1 1 20 5937 1 1 17 SER HA H -6.308 -5.940 -0.273 1.00 . A A . 17 SER HA 1 1 20 5938 1 1 17 SER HB2 H -5.267 -3.899 -0.675 1.00 . A A . 17 SER HB2 1 1 20 5939 1 1 17 SER HB3 H -6.503 -2.983 0.187 1.00 . A A . 17 SER HB3 1 1 20 5940 1 1 17 SER HG H -5.298 -3.128 1.887 1.00 . A A . 17 SER HG 1 1 20 5941 1 1 17 SER N N -7.986 -4.828 -0.725 1.00 . A A . 17 SER N 1 1 20 5942 1 1 17 SER O O -6.646 -6.220 2.258 1.00 . A A . 17 SER O 1 1 20 5943 1 1 17 SER OG O -5.111 -3.907 1.358 1.00 . A A . 17 SER OG 1 1 20 5944 1 1 18 HIS C C -9.095 -6.660 3.542 1.00 . A A . 18 HIS C 1 1 20 5945 1 1 18 HIS CA C -8.995 -5.161 3.279 1.00 . A A . 18 HIS CA 1 1 20 5946 1 1 18 HIS CB C -10.374 -4.514 3.417 1.00 . A A . 18 HIS CB 1 1 20 5947 1 1 18 HIS CD2 C -11.043 -2.249 4.489 1.00 . A A . 18 HIS CD2 1 1 20 5948 1 1 18 HIS CE1 C -9.631 -0.958 3.418 1.00 . A A . 18 HIS CE1 1 1 20 5949 1 1 18 HIS CG C -10.321 -3.037 3.658 1.00 . A A . 18 HIS CG 1 1 20 5950 1 1 18 HIS H H -8.924 -4.302 1.345 1.00 . A A . 18 HIS H 1 1 20 5951 1 1 18 HIS HA H -8.328 -4.724 4.007 1.00 . A A . 18 HIS HA 1 1 20 5952 1 1 18 HIS HB2 H -10.935 -4.682 2.509 1.00 . A A . 18 HIS HB2 1 1 20 5953 1 1 18 HIS HB3 H -10.896 -4.968 4.247 1.00 . A A . 18 HIS HB3 1 1 20 5954 1 1 18 HIS HD1 H -8.788 -2.471 2.328 1.00 . A A . 18 HIS HD1 1 1 20 5955 1 1 18 HIS HD2 H -11.826 -2.572 5.161 1.00 . A A . 18 HIS HD2 1 1 20 5956 1 1 18 HIS HE1 H -9.088 -0.089 3.078 1.00 . A A . 18 HIS HE1 1 1 20 5957 1 1 18 HIS N N -8.444 -4.901 1.954 1.00 . A A . 18 HIS N 1 1 20 5958 1 1 18 HIS ND1 N -9.447 -2.198 3.000 1.00 . A A . 18 HIS ND1 1 1 20 5959 1 1 18 HIS NE2 N -10.595 -0.962 4.321 1.00 . A A . 18 HIS NE2 1 1 20 5960 1 1 18 HIS O O -8.990 -7.109 4.683 1.00 . A A . 18 HIS O 1 1 20 5961 1 1 19 VAL C C -8.095 -9.500 3.045 1.00 . A A . 19 VAL C 1 1 20 5962 1 1 19 VAL CA C -9.412 -8.879 2.593 1.00 . A A . 19 VAL CA 1 1 20 5963 1 1 19 VAL CB C -9.835 -9.517 1.256 1.00 . A A . 19 VAL CB 1 1 20 5964 1 1 19 VAL CG1 C -10.042 -11.015 1.421 1.00 . A A . 19 VAL CG1 1 1 20 5965 1 1 19 VAL CG2 C -11.096 -8.852 0.724 1.00 . A A . 19 VAL CG2 1 1 20 5966 1 1 19 VAL H H -9.373 -7.014 1.593 1.00 . A A . 19 VAL H 1 1 20 5967 1 1 19 VAL HA H -10.173 -9.097 3.328 1.00 . A A . 19 VAL HA 1 1 20 5968 1 1 19 VAL HB H -9.042 -9.363 0.539 1.00 . A A . 19 VAL HB 1 1 20 5969 1 1 19 VAL HG11 H -9.322 -11.546 0.816 1.00 . A A . 19 VAL HG11 1 1 20 5970 1 1 19 VAL HG12 H -9.912 -11.285 2.459 1.00 . A A . 19 VAL HG12 1 1 20 5971 1 1 19 VAL HG13 H -11.041 -11.277 1.103 1.00 . A A . 19 VAL HG13 1 1 20 5972 1 1 19 VAL HG21 H -10.927 -7.791 0.620 1.00 . A A . 19 VAL HG21 1 1 20 5973 1 1 19 VAL HG22 H -11.346 -9.273 -0.238 1.00 . A A . 19 VAL HG22 1 1 20 5974 1 1 19 VAL HG23 H -11.911 -9.021 1.414 1.00 . A A . 19 VAL HG23 1 1 20 5975 1 1 19 VAL N N -9.298 -7.430 2.477 1.00 . A A . 19 VAL N 1 1 20 5976 1 1 19 VAL O O -8.064 -10.307 3.974 1.00 . A A . 19 VAL O 1 1 20 5977 1 1 20 TRP C C -4.915 -8.643 3.577 1.00 . A A . 20 TRP C 1 1 20 5978 1 1 20 TRP CA C -5.688 -9.636 2.716 1.00 . A A . 20 TRP CA 1 1 20 5979 1 1 20 TRP CB C -4.901 -9.945 1.441 1.00 . A A . 20 TRP CB 1 1 20 5980 1 1 20 TRP CD1 C -6.456 -10.208 -0.579 1.00 . A A . 20 TRP CD1 1 1 20 5981 1 1 20 TRP CD2 C -5.791 -12.144 0.330 1.00 . A A . 20 TRP CD2 1 1 20 5982 1 1 20 TRP CE2 C -6.634 -12.427 -0.762 1.00 . A A . 20 TRP CE2 1 1 20 5983 1 1 20 TRP CE3 C -5.249 -13.209 1.056 1.00 . A A . 20 TRP CE3 1 1 20 5984 1 1 20 TRP CG C -5.690 -10.719 0.429 1.00 . A A . 20 TRP CG 1 1 20 5985 1 1 20 TRP CH2 C -6.404 -14.752 -0.415 1.00 . A A . 20 TRP CH2 1 1 20 5986 1 1 20 TRP CZ2 C -6.948 -13.729 -1.143 1.00 . A A . 20 TRP CZ2 1 1 20 5987 1 1 20 TRP CZ3 C -5.562 -14.500 0.677 1.00 . A A . 20 TRP CZ3 1 1 20 5988 1 1 20 TRP H H -7.098 -8.471 1.651 1.00 . A A . 20 TRP H 1 1 20 5989 1 1 20 TRP HA H -5.823 -10.550 3.275 1.00 . A A . 20 TRP HA 1 1 20 5990 1 1 20 TRP HB2 H -4.592 -9.017 0.983 1.00 . A A . 20 TRP HB2 1 1 20 5991 1 1 20 TRP HB3 H -4.026 -10.524 1.699 1.00 . A A . 20 TRP HB3 1 1 20 5992 1 1 20 TRP HD1 H -6.586 -9.154 -0.769 1.00 . A A . 20 TRP HD1 1 1 20 5993 1 1 20 TRP HE1 H -7.619 -11.118 -2.073 1.00 . A A . 20 TRP HE1 1 1 20 5994 1 1 20 TRP HE3 H -4.598 -13.035 1.900 1.00 . A A . 20 TRP HE3 1 1 20 5995 1 1 20 TRP HH2 H -6.621 -15.776 -0.675 1.00 . A A . 20 TRP HH2 1 1 20 5996 1 1 20 TRP HZ2 H -7.595 -13.939 -1.982 1.00 . A A . 20 TRP HZ2 1 1 20 5997 1 1 20 TRP HZ3 H -5.153 -15.336 1.226 1.00 . A A . 20 TRP HZ3 1 1 20 5998 1 1 20 TRP N N -7.009 -9.117 2.382 1.00 . A A . 20 TRP N 1 1 20 5999 1 1 20 TRP NE1 N -7.027 -11.229 -1.299 1.00 . A A . 20 TRP NE1 1 1 20 6000 1 1 20 TRP O O -3.742 -8.855 3.887 1.00 . A A . 20 TRP O 1 1 21 6001 1 1 1 MET C C 3.614 -1.242 -1.694 1.00 . A A . 1 MET C 1 1 21 6002 1 1 1 MET CA C 2.870 0.046 -2.030 1.00 . A A . 1 MET CA 1 1 21 6003 1 1 1 MET CB C 3.331 1.172 -1.103 1.00 . A A . 1 MET CB 1 1 21 6004 1 1 1 MET CE C 5.951 2.208 1.220 1.00 . A A . 1 MET CE 1 1 21 6005 1 1 1 MET CG C 4.819 1.467 -1.199 1.00 . A A . 1 MET CG 1 1 21 6006 1 1 1 MET H1 H 0.886 0.556 -1.497 1.00 . A A . 1 MET H1 1 1 21 6007 1 1 1 MET HA H 3.091 0.319 -3.051 1.00 . A A . 1 MET HA 1 1 21 6008 1 1 1 MET HB2 H 2.791 2.073 -1.354 1.00 . A A . 1 MET HB2 1 1 21 6009 1 1 1 MET HB3 H 3.105 0.898 -0.083 1.00 . A A . 1 MET HB3 1 1 21 6010 1 1 1 MET HE1 H 6.705 2.010 1.968 1.00 . A A . 1 MET HE1 1 1 21 6011 1 1 1 MET HE2 H 6.254 3.052 0.617 1.00 . A A . 1 MET HE2 1 1 21 6012 1 1 1 MET HE3 H 5.012 2.431 1.705 1.00 . A A . 1 MET HE3 1 1 21 6013 1 1 1 MET HG2 H 5.197 1.051 -2.121 1.00 . A A . 1 MET HG2 1 1 21 6014 1 1 1 MET HG3 H 4.960 2.538 -1.204 1.00 . A A . 1 MET HG3 1 1 21 6015 1 1 1 MET N N 1.428 -0.143 -1.920 1.00 . A A . 1 MET N 1 1 21 6016 1 1 1 MET O O 4.822 -1.348 -1.907 1.00 . A A . 1 MET O 1 1 21 6017 1 1 1 MET SD S 5.755 0.767 0.174 1.00 . A A . 1 MET SD 1 1 21 6018 1 1 2 THR C C 3.146 -4.575 -1.830 1.00 . A A . 2 THR C 1 1 21 6019 1 1 2 THR CA C 3.476 -3.502 -0.799 1.00 . A A . 2 THR CA 1 1 21 6020 1 1 2 THR CB C 2.989 -3.969 0.586 1.00 . A A . 2 THR CB 1 1 21 6021 1 1 2 THR CG2 C 1.493 -4.243 0.569 1.00 . A A . 2 THR CG2 1 1 21 6022 1 1 2 THR H H 1.927 -2.077 -1.021 1.00 . A A . 2 THR H 1 1 21 6023 1 1 2 THR HA H 4.548 -3.374 -0.756 1.00 . A A . 2 THR HA 1 1 21 6024 1 1 2 THR HB H 3.189 -3.186 1.304 1.00 . A A . 2 THR HB 1 1 21 6025 1 1 2 THR HG1 H 3.201 -5.926 0.692 1.00 . A A . 2 THR HG1 1 1 21 6026 1 1 2 THR HG21 H 1.160 -4.477 1.569 1.00 . A A . 2 THR HG21 1 1 21 6027 1 1 2 THR HG22 H 1.288 -5.079 -0.083 1.00 . A A . 2 THR HG22 1 1 21 6028 1 1 2 THR HG23 H 0.971 -3.369 0.210 1.00 . A A . 2 THR HG23 1 1 21 6029 1 1 2 THR N N 2.885 -2.221 -1.166 1.00 . A A . 2 THR N 1 1 21 6030 1 1 2 THR O O 3.913 -5.518 -2.024 1.00 . A A . 2 THR O 1 1 21 6031 1 1 2 THR OG1 O 3.692 -5.153 0.979 1.00 . A A . 2 THR OG1 1 1 21 6032 1 1 3 GLU C C 0.314 -4.895 -4.212 1.00 . A A . 3 GLU C 1 1 21 6033 1 1 3 GLU CA C 1.571 -5.384 -3.499 1.00 . A A . 3 GLU CA 1 1 21 6034 1 1 3 GLU CB C 1.310 -6.750 -2.860 1.00 . A A . 3 GLU CB 1 1 21 6035 1 1 3 GLU CD C 0.394 -9.087 -3.147 1.00 . A A . 3 GLU CD 1 1 21 6036 1 1 3 GLU CG C 0.565 -7.714 -3.768 1.00 . A A . 3 GLU CG 1 1 21 6037 1 1 3 GLU H H 1.432 -3.653 -2.288 1.00 . A A . 3 GLU H 1 1 21 6038 1 1 3 GLU HA H 2.366 -5.482 -4.222 1.00 . A A . 3 GLU HA 1 1 21 6039 1 1 3 GLU HB2 H 2.256 -7.197 -2.594 1.00 . A A . 3 GLU HB2 1 1 21 6040 1 1 3 GLU HB3 H 0.724 -6.608 -1.964 1.00 . A A . 3 GLU HB3 1 1 21 6041 1 1 3 GLU HG2 H -0.413 -7.307 -3.979 1.00 . A A . 3 GLU HG2 1 1 21 6042 1 1 3 GLU HG3 H 1.116 -7.819 -4.691 1.00 . A A . 3 GLU HG3 1 1 21 6043 1 1 3 GLU N N 2.001 -4.426 -2.488 1.00 . A A . 3 GLU N 1 1 21 6044 1 1 3 GLU O O 0.343 -4.591 -5.405 1.00 . A A . 3 GLU O 1 1 21 6045 1 1 3 GLU OE1 O 1.040 -9.355 -2.113 1.00 . A A . 3 GLU OE1 1 1 21 6046 1 1 3 GLU OE2 O -0.387 -9.892 -3.696 1.00 . A A . 3 GLU OE2 1 1 21 6047 1 1 4 TYR C C -2.439 -3.003 -3.489 1.00 . A A . 4 TYR C 1 1 21 6048 1 1 4 TYR CA C -2.056 -4.375 -4.036 1.00 . A A . 4 TYR CA 1 1 21 6049 1 1 4 TYR CB C -3.162 -5.386 -3.726 1.00 . A A . 4 TYR CB 1 1 21 6050 1 1 4 TYR CD1 C -3.311 -5.165 -1.215 1.00 . A A . 4 TYR CD1 1 1 21 6051 1 1 4 TYR CD2 C -2.779 -7.302 -2.126 1.00 . A A . 4 TYR CD2 1 1 21 6052 1 1 4 TYR CE1 C -3.239 -5.686 0.063 1.00 . A A . 4 TYR CE1 1 1 21 6053 1 1 4 TYR CE2 C -2.706 -7.832 -0.852 1.00 . A A . 4 TYR CE2 1 1 21 6054 1 1 4 TYR CG C -3.082 -5.961 -2.330 1.00 . A A . 4 TYR CG 1 1 21 6055 1 1 4 TYR CZ C -2.936 -7.020 0.239 1.00 . A A . 4 TYR CZ 1 1 21 6056 1 1 4 TYR H H -0.748 -5.080 -2.529 1.00 . A A . 4 TYR H 1 1 21 6057 1 1 4 TYR HA H -1.938 -4.303 -5.107 1.00 . A A . 4 TYR HA 1 1 21 6058 1 1 4 TYR HB2 H -4.121 -4.904 -3.831 1.00 . A A . 4 TYR HB2 1 1 21 6059 1 1 4 TYR HB3 H -3.097 -6.206 -4.427 1.00 . A A . 4 TYR HB3 1 1 21 6060 1 1 4 TYR HD1 H -3.549 -4.120 -1.356 1.00 . A A . 4 TYR HD1 1 1 21 6061 1 1 4 TYR HD2 H -2.599 -7.935 -2.982 1.00 . A A . 4 TYR HD2 1 1 21 6062 1 1 4 TYR HE1 H -3.420 -5.050 0.917 1.00 . A A . 4 TYR HE1 1 1 21 6063 1 1 4 TYR HE2 H -2.468 -8.877 -0.714 1.00 . A A . 4 TYR HE2 1 1 21 6064 1 1 4 TYR HH H -3.531 -7.131 2.063 1.00 . A A . 4 TYR HH 1 1 21 6065 1 1 4 TYR N N -0.788 -4.824 -3.474 1.00 . A A . 4 TYR N 1 1 21 6066 1 1 4 TYR O O -3.228 -2.278 -4.095 1.00 . A A . 4 TYR O 1 1 21 6067 1 1 4 TYR OH O -2.865 -7.543 1.509 1.00 . A A . 4 TYR OH 1 1 21 6068 1 1 5 LYS C C -1.755 -0.215 -2.625 1.00 . A A . 5 LYS C 1 1 21 6069 1 1 5 LYS CA C -2.152 -1.368 -1.709 1.00 . A A . 5 LYS CA 1 1 21 6070 1 1 5 LYS CB C -1.405 -1.257 -0.378 1.00 . A A . 5 LYS CB 1 1 21 6071 1 1 5 LYS CD C -1.122 -2.627 1.708 1.00 . A A . 5 LYS CD 1 1 21 6072 1 1 5 LYS CE C -1.649 -2.685 3.134 1.00 . A A . 5 LYS CE 1 1 21 6073 1 1 5 LYS CG C -2.111 -1.948 0.776 1.00 . A A . 5 LYS CG 1 1 21 6074 1 1 5 LYS H H -1.253 -3.274 -1.903 1.00 . A A . 5 LYS H 1 1 21 6075 1 1 5 LYS HA H -3.214 -1.313 -1.521 1.00 . A A . 5 LYS HA 1 1 21 6076 1 1 5 LYS HB2 H -0.426 -1.699 -0.490 1.00 . A A . 5 LYS HB2 1 1 21 6077 1 1 5 LYS HB3 H -1.292 -0.211 -0.129 1.00 . A A . 5 LYS HB3 1 1 21 6078 1 1 5 LYS HD2 H -0.946 -3.635 1.360 1.00 . A A . 5 LYS HD2 1 1 21 6079 1 1 5 LYS HD3 H -0.193 -2.074 1.699 1.00 . A A . 5 LYS HD3 1 1 21 6080 1 1 5 LYS HE2 H -2.669 -3.036 3.113 1.00 . A A . 5 LYS HE2 1 1 21 6081 1 1 5 LYS HE3 H -1.042 -3.376 3.700 1.00 . A A . 5 LYS HE3 1 1 21 6082 1 1 5 LYS HG2 H -2.670 -1.213 1.336 1.00 . A A . 5 LYS HG2 1 1 21 6083 1 1 5 LYS HG3 H -2.787 -2.692 0.378 1.00 . A A . 5 LYS HG3 1 1 21 6084 1 1 5 LYS HZ1 H -1.876 -0.608 3.117 1.00 . A A . 5 LYS HZ1 1 1 21 6085 1 1 5 LYS HZ2 H -0.650 -1.156 4.147 1.00 . A A . 5 LYS HZ2 1 1 21 6086 1 1 5 LYS HZ3 H -2.272 -1.329 4.595 1.00 . A A . 5 LYS HZ3 1 1 21 6087 1 1 5 LYS N N -1.874 -2.653 -2.339 1.00 . A A . 5 LYS N 1 1 21 6088 1 1 5 LYS NZ N -1.609 -1.351 3.794 1.00 . A A . 5 LYS NZ 1 1 21 6089 1 1 5 LYS O O -2.211 0.916 -2.451 1.00 . A A . 5 LYS O 1 1 21 6090 1 1 6 LEU C C -1.476 0.726 -5.649 1.00 . A A . 6 LEU C 1 1 21 6091 1 1 6 LEU CA C -0.445 0.504 -4.547 1.00 . A A . 6 LEU CA 1 1 21 6092 1 1 6 LEU CB C 0.894 0.089 -5.160 1.00 . A A . 6 LEU CB 1 1 21 6093 1 1 6 LEU CD1 C 0.805 -0.957 -7.436 1.00 . A A . 6 LEU CD1 1 1 21 6094 1 1 6 LEU CD2 C 2.140 -2.038 -5.618 1.00 . A A . 6 LEU CD2 1 1 21 6095 1 1 6 LEU CG C 0.895 -1.225 -5.942 1.00 . A A . 6 LEU CG 1 1 21 6096 1 1 6 LEU H H -0.574 -1.426 -3.689 1.00 . A A . 6 LEU H 1 1 21 6097 1 1 6 LEU HA H -0.312 1.428 -4.004 1.00 . A A . 6 LEU HA 1 1 21 6098 1 1 6 LEU HB2 H 1.207 0.873 -5.832 1.00 . A A . 6 LEU HB2 1 1 21 6099 1 1 6 LEU HB3 H 1.611 -0.003 -4.357 1.00 . A A . 6 LEU HB3 1 1 21 6100 1 1 6 LEU HD11 H 1.774 -0.659 -7.807 1.00 . A A . 6 LEU HD11 1 1 21 6101 1 1 6 LEU HD12 H 0.091 -0.167 -7.618 1.00 . A A . 6 LEU HD12 1 1 21 6102 1 1 6 LEU HD13 H 0.485 -1.855 -7.945 1.00 . A A . 6 LEU HD13 1 1 21 6103 1 1 6 LEU HD21 H 2.022 -3.042 -5.996 1.00 . A A . 6 LEU HD21 1 1 21 6104 1 1 6 LEU HD22 H 2.279 -2.070 -4.547 1.00 . A A . 6 LEU HD22 1 1 21 6105 1 1 6 LEU HD23 H 3.001 -1.577 -6.079 1.00 . A A . 6 LEU HD23 1 1 21 6106 1 1 6 LEU HG H 0.030 -1.808 -5.656 1.00 . A A . 6 LEU HG 1 1 21 6107 1 1 6 LEU N N -0.903 -0.508 -3.601 1.00 . A A . 6 LEU N 1 1 21 6108 1 1 6 LEU O O -1.398 1.699 -6.399 1.00 . A A . 6 LEU O 1 1 21 6109 1 1 7 VAL C C -4.854 0.139 -6.103 1.00 . A A . 7 VAL C 1 1 21 6110 1 1 7 VAL CA C -3.491 -0.085 -6.748 1.00 . A A . 7 VAL CA 1 1 21 6111 1 1 7 VAL CB C -3.550 -1.353 -7.621 1.00 . A A . 7 VAL CB 1 1 21 6112 1 1 7 VAL CG1 C -4.667 -1.243 -8.647 1.00 . A A . 7 VAL CG1 1 1 21 6113 1 1 7 VAL CG2 C -2.211 -1.593 -8.302 1.00 . A A . 7 VAL CG2 1 1 21 6114 1 1 7 VAL H H -2.450 -0.936 -5.113 1.00 . A A . 7 VAL H 1 1 21 6115 1 1 7 VAL HA H -3.263 0.756 -7.387 1.00 . A A . 7 VAL HA 1 1 21 6116 1 1 7 VAL HB H -3.761 -2.196 -6.981 1.00 . A A . 7 VAL HB 1 1 21 6117 1 1 7 VAL HG11 H -5.022 -0.223 -8.684 1.00 . A A . 7 VAL HG11 1 1 21 6118 1 1 7 VAL HG12 H -4.293 -1.530 -9.619 1.00 . A A . 7 VAL HG12 1 1 21 6119 1 1 7 VAL HG13 H -5.479 -1.896 -8.366 1.00 . A A . 7 VAL HG13 1 1 21 6120 1 1 7 VAL HG21 H -2.374 -2.042 -9.270 1.00 . A A . 7 VAL HG21 1 1 21 6121 1 1 7 VAL HG22 H -1.695 -0.652 -8.422 1.00 . A A . 7 VAL HG22 1 1 21 6122 1 1 7 VAL HG23 H -1.612 -2.257 -7.695 1.00 . A A . 7 VAL HG23 1 1 21 6123 1 1 7 VAL N N -2.442 -0.183 -5.740 1.00 . A A . 7 VAL N 1 1 21 6124 1 1 7 VAL O O -5.546 1.110 -6.410 1.00 . A A . 7 VAL O 1 1 21 6125 1 1 8 VAL C C -6.555 0.554 -3.606 1.00 . A A . 8 VAL C 1 1 21 6126 1 1 8 VAL CA C -6.515 -0.667 -4.517 1.00 . A A . 8 VAL CA 1 1 21 6127 1 1 8 VAL CB C -6.800 -1.928 -3.680 1.00 . A A . 8 VAL CB 1 1 21 6128 1 1 8 VAL CG1 C -8.182 -1.849 -3.048 1.00 . A A . 8 VAL CG1 1 1 21 6129 1 1 8 VAL CG2 C -6.668 -3.178 -4.537 1.00 . A A . 8 VAL CG2 1 1 21 6130 1 1 8 VAL H H -4.639 -1.518 -5.005 1.00 . A A . 8 VAL H 1 1 21 6131 1 1 8 VAL HA H -7.290 -0.573 -5.263 1.00 . A A . 8 VAL HA 1 1 21 6132 1 1 8 VAL HB H -6.069 -1.982 -2.887 1.00 . A A . 8 VAL HB 1 1 21 6133 1 1 8 VAL HG11 H -8.825 -2.591 -3.497 1.00 . A A . 8 VAL HG11 1 1 21 6134 1 1 8 VAL HG12 H -8.104 -2.033 -1.987 1.00 . A A . 8 VAL HG12 1 1 21 6135 1 1 8 VAL HG13 H -8.597 -0.866 -3.214 1.00 . A A . 8 VAL HG13 1 1 21 6136 1 1 8 VAL HG21 H -7.449 -3.877 -4.279 1.00 . A A . 8 VAL HG21 1 1 21 6137 1 1 8 VAL HG22 H -6.755 -2.909 -5.579 1.00 . A A . 8 VAL HG22 1 1 21 6138 1 1 8 VAL HG23 H -5.704 -3.634 -4.363 1.00 . A A . 8 VAL HG23 1 1 21 6139 1 1 8 VAL N N -5.234 -0.766 -5.207 1.00 . A A . 8 VAL N 1 1 21 6140 1 1 8 VAL O O -7.412 1.425 -3.754 1.00 . A A . 8 VAL O 1 1 21 6141 1 1 9 VAL C C -4.907 2.949 -2.376 1.00 . A A . 9 VAL C 1 1 21 6142 1 1 9 VAL CA C -5.547 1.728 -1.726 1.00 . A A . 9 VAL CA 1 1 21 6143 1 1 9 VAL CB C -4.747 1.352 -0.465 1.00 . A A . 9 VAL CB 1 1 21 6144 1 1 9 VAL CG1 C -4.857 2.448 0.584 1.00 . A A . 9 VAL CG1 1 1 21 6145 1 1 9 VAL CG2 C -5.225 0.019 0.091 1.00 . A A . 9 VAL CG2 1 1 21 6146 1 1 9 VAL H H -4.964 -0.112 -2.593 1.00 . A A . 9 VAL H 1 1 21 6147 1 1 9 VAL HA H -6.555 1.979 -1.426 1.00 . A A . 9 VAL HA 1 1 21 6148 1 1 9 VAL HB H -3.707 1.252 -0.740 1.00 . A A . 9 VAL HB 1 1 21 6149 1 1 9 VAL HG11 H -3.889 2.901 0.734 1.00 . A A . 9 VAL HG11 1 1 21 6150 1 1 9 VAL HG12 H -5.560 3.197 0.250 1.00 . A A . 9 VAL HG12 1 1 21 6151 1 1 9 VAL HG13 H -5.202 2.021 1.515 1.00 . A A . 9 VAL HG13 1 1 21 6152 1 1 9 VAL HG21 H -6.257 0.105 0.394 1.00 . A A . 9 VAL HG21 1 1 21 6153 1 1 9 VAL HG22 H -5.134 -0.741 -0.671 1.00 . A A . 9 VAL HG22 1 1 21 6154 1 1 9 VAL HG23 H -4.620 -0.253 0.944 1.00 . A A . 9 VAL HG23 1 1 21 6155 1 1 9 VAL N N -5.621 0.612 -2.662 1.00 . A A . 9 VAL N 1 1 21 6156 1 1 9 VAL O O -5.161 4.084 -1.976 1.00 . A A . 9 VAL O 1 1 21 6157 1 1 10 GLY C C -4.378 4.676 -4.840 1.00 . A A . 10 GLY C 1 1 21 6158 1 1 10 GLY CA C -3.408 3.797 -4.074 1.00 . A A . 10 GLY CA 1 1 21 6159 1 1 10 GLY H H -3.908 1.782 -3.660 1.00 . A A . 10 GLY H 1 1 21 6160 1 1 10 GLY HA2 H -2.885 4.403 -3.349 1.00 . A A . 10 GLY HA2 1 1 21 6161 1 1 10 GLY HA3 H -2.691 3.384 -4.768 1.00 . A A . 10 GLY HA3 1 1 21 6162 1 1 10 GLY N N -4.073 2.708 -3.384 1.00 . A A . 10 GLY N 1 1 21 6163 1 1 10 GLY O O -4.061 5.817 -5.174 1.00 . A A . 10 GLY O 1 1 21 6164 1 1 11 ALA C C -7.430 5.730 -4.903 1.00 . A A . 11 ALA C 1 1 21 6165 1 1 11 ALA CA C -6.582 4.887 -5.849 1.00 . A A . 11 ALA CA 1 1 21 6166 1 1 11 ALA CB C -7.463 3.934 -6.643 1.00 . A A . 11 ALA CB 1 1 21 6167 1 1 11 ALA H H -5.757 3.229 -4.825 1.00 . A A . 11 ALA H 1 1 21 6168 1 1 11 ALA HA H -6.081 5.542 -6.548 1.00 . A A . 11 ALA HA 1 1 21 6169 1 1 11 ALA HB1 H -6.901 3.044 -6.887 1.00 . A A . 11 ALA HB1 1 1 21 6170 1 1 11 ALA HB2 H -8.326 3.665 -6.052 1.00 . A A . 11 ALA HB2 1 1 21 6171 1 1 11 ALA HB3 H -7.786 4.417 -7.553 1.00 . A A . 11 ALA HB3 1 1 21 6172 1 1 11 ALA N N -5.563 4.143 -5.118 1.00 . A A . 11 ALA N 1 1 21 6173 1 1 11 ALA O O -7.844 6.837 -5.245 1.00 . A A . 11 ALA O 1 1 21 6174 1 1 12 GLY C C -9.039 5.006 -1.658 1.00 . A A . 12 GLY C 1 1 21 6175 1 1 12 GLY CA C -8.483 5.917 -2.734 1.00 . A A . 12 GLY CA 1 1 21 6176 1 1 12 GLY H H -7.328 4.312 -3.493 1.00 . A A . 12 GLY H 1 1 21 6177 1 1 12 GLY HA2 H -7.869 6.673 -2.269 1.00 . A A . 12 GLY HA2 1 1 21 6178 1 1 12 GLY HA3 H -9.306 6.398 -3.242 1.00 . A A . 12 GLY HA3 1 1 21 6179 1 1 12 GLY N N -7.685 5.199 -3.711 1.00 . A A . 12 GLY N 1 1 21 6180 1 1 12 GLY O O -9.354 5.455 -0.556 1.00 . A A . 12 GLY O 1 1 21 6181 1 1 13 GLY C C -10.955 2.093 -1.504 1.00 . A A . 13 GLY C 1 1 21 6182 1 1 13 GLY CA C -9.686 2.765 -1.019 1.00 . A A . 13 GLY CA 1 1 21 6183 1 1 13 GLY H H -8.895 3.420 -2.871 1.00 . A A . 13 GLY H 1 1 21 6184 1 1 13 GLY HA2 H -8.938 2.009 -0.835 1.00 . A A . 13 GLY HA2 1 1 21 6185 1 1 13 GLY HA3 H -9.897 3.280 -0.093 1.00 . A A . 13 GLY HA3 1 1 21 6186 1 1 13 GLY N N -9.162 3.721 -1.977 1.00 . A A . 13 GLY N 1 1 21 6187 1 1 13 GLY O O -12.056 2.599 -1.289 1.00 . A A . 13 GLY O 1 1 21 6188 1 1 14 VAL C C -12.495 -0.756 -1.637 1.00 . A A . 14 VAL C 1 1 21 6189 1 1 14 VAL CA C -11.944 0.207 -2.683 1.00 . A A . 14 VAL CA 1 1 21 6190 1 1 14 VAL CB C -11.570 -0.587 -3.949 1.00 . A A . 14 VAL CB 1 1 21 6191 1 1 14 VAL CG1 C -12.791 -1.297 -4.514 1.00 . A A . 14 VAL CG1 1 1 21 6192 1 1 14 VAL CG2 C -10.948 0.332 -4.989 1.00 . A A . 14 VAL CG2 1 1 21 6193 1 1 14 VAL H H -9.898 0.596 -2.305 1.00 . A A . 14 VAL H 1 1 21 6194 1 1 14 VAL HA H -12.714 0.918 -2.944 1.00 . A A . 14 VAL HA 1 1 21 6195 1 1 14 VAL HB H -10.840 -1.335 -3.677 1.00 . A A . 14 VAL HB 1 1 21 6196 1 1 14 VAL HG11 H -13.679 -0.732 -4.274 1.00 . A A . 14 VAL HG11 1 1 21 6197 1 1 14 VAL HG12 H -12.694 -1.381 -5.586 1.00 . A A . 14 VAL HG12 1 1 21 6198 1 1 14 VAL HG13 H -12.865 -2.284 -4.081 1.00 . A A . 14 VAL HG13 1 1 21 6199 1 1 14 VAL HG21 H -10.948 1.347 -4.620 1.00 . A A . 14 VAL HG21 1 1 21 6200 1 1 14 VAL HG22 H -9.934 0.019 -5.185 1.00 . A A . 14 VAL HG22 1 1 21 6201 1 1 14 VAL HG23 H -11.523 0.282 -5.903 1.00 . A A . 14 VAL HG23 1 1 21 6202 1 1 14 VAL N N -10.802 0.949 -2.164 1.00 . A A . 14 VAL N 1 1 21 6203 1 1 14 VAL O O -13.703 -0.971 -1.551 1.00 . A A . 14 VAL O 1 1 21 6204 1 1 15 GLY C C -11.577 -3.687 -0.104 1.00 . A A . 15 GLY C 1 1 21 6205 1 1 15 GLY CA C -12.014 -2.265 0.190 1.00 . A A . 15 GLY CA 1 1 21 6206 1 1 15 GLY H H -10.648 -1.122 -0.955 1.00 . A A . 15 GLY H 1 1 21 6207 1 1 15 GLY HA2 H -11.588 -1.956 1.133 1.00 . A A . 15 GLY HA2 1 1 21 6208 1 1 15 GLY HA3 H -13.091 -2.241 0.268 1.00 . A A . 15 GLY HA3 1 1 21 6209 1 1 15 GLY N N -11.599 -1.332 -0.841 1.00 . A A . 15 GLY N 1 1 21 6210 1 1 15 GLY O O -12.130 -4.640 0.444 1.00 . A A . 15 GLY O 1 1 21 6211 1 1 16 LYS C C -8.969 -5.587 -0.382 1.00 . A A . 16 LYS C 1 1 21 6212 1 1 16 LYS CA C -10.070 -5.145 -1.340 1.00 . A A . 16 LYS CA 1 1 21 6213 1 1 16 LYS CB C -9.536 -5.124 -2.774 1.00 . A A . 16 LYS CB 1 1 21 6214 1 1 16 LYS CD C -11.819 -5.492 -3.755 1.00 . A A . 16 LYS CD 1 1 21 6215 1 1 16 LYS CE C -11.529 -6.951 -4.075 1.00 . A A . 16 LYS CE 1 1 21 6216 1 1 16 LYS CG C -10.555 -4.651 -3.796 1.00 . A A . 16 LYS CG 1 1 21 6217 1 1 16 LYS H H -10.181 -3.031 -1.376 1.00 . A A . 16 LYS H 1 1 21 6218 1 1 16 LYS HA H -10.887 -5.848 -1.280 1.00 . A A . 16 LYS HA 1 1 21 6219 1 1 16 LYS HB2 H -8.681 -4.466 -2.817 1.00 . A A . 16 LYS HB2 1 1 21 6220 1 1 16 LYS HB3 H -9.225 -6.123 -3.044 1.00 . A A . 16 LYS HB3 1 1 21 6221 1 1 16 LYS HD2 H -12.250 -5.431 -2.766 1.00 . A A . 16 LYS HD2 1 1 21 6222 1 1 16 LYS HD3 H -12.522 -5.106 -4.480 1.00 . A A . 16 LYS HD3 1 1 21 6223 1 1 16 LYS HE2 H -10.794 -7.319 -3.376 1.00 . A A . 16 LYS HE2 1 1 21 6224 1 1 16 LYS HE3 H -12.442 -7.517 -3.969 1.00 . A A . 16 LYS HE3 1 1 21 6225 1 1 16 LYS HG2 H -10.812 -3.623 -3.585 1.00 . A A . 16 LYS HG2 1 1 21 6226 1 1 16 LYS HG3 H -10.119 -4.719 -4.783 1.00 . A A . 16 LYS HG3 1 1 21 6227 1 1 16 LYS HZ1 H -9.989 -7.317 -5.438 1.00 . A A . 16 LYS HZ1 1 1 21 6228 1 1 16 LYS HZ2 H -11.174 -6.256 -6.012 1.00 . A A . 16 LYS HZ2 1 1 21 6229 1 1 16 LYS HZ3 H -11.494 -7.914 -5.928 1.00 . A A . 16 LYS HZ3 1 1 21 6230 1 1 16 LYS N N -10.582 -3.830 -0.973 1.00 . A A . 16 LYS N 1 1 21 6231 1 1 16 LYS NZ N -11.010 -7.122 -5.460 1.00 . A A . 16 LYS NZ 1 1 21 6232 1 1 16 LYS O O -9.020 -6.684 0.174 1.00 . A A . 16 LYS O 1 1 21 6233 1 1 17 SER C C -7.363 -5.461 2.071 1.00 . A A . 17 SER C 1 1 21 6234 1 1 17 SER CA C -6.859 -5.029 0.697 1.00 . A A . 17 SER CA 1 1 21 6235 1 1 17 SER CB C -5.944 -3.811 0.836 1.00 . A A . 17 SER CB 1 1 21 6236 1 1 17 SER H H -7.990 -3.867 -0.665 1.00 . A A . 17 SER H 1 1 21 6237 1 1 17 SER HA H -6.299 -5.842 0.260 1.00 . A A . 17 SER HA 1 1 21 6238 1 1 17 SER HB2 H -5.223 -3.813 0.033 1.00 . A A . 17 SER HB2 1 1 21 6239 1 1 17 SER HB3 H -6.539 -2.910 0.784 1.00 . A A . 17 SER HB3 1 1 21 6240 1 1 17 SER HG H -5.208 -2.942 2.429 1.00 . A A . 17 SER HG 1 1 21 6241 1 1 17 SER N N -7.974 -4.726 -0.193 1.00 . A A . 17 SER N 1 1 21 6242 1 1 17 SER O O -6.719 -6.253 2.760 1.00 . A A . 17 SER O 1 1 21 6243 1 1 17 SER OG O -5.252 -3.832 2.072 1.00 . A A . 17 SER OG 1 1 21 6244 1 1 18 HIS C C -9.242 -6.776 3.921 1.00 . A A . 18 HIS C 1 1 21 6245 1 1 18 HIS CA C -9.110 -5.265 3.755 1.00 . A A . 18 HIS CA 1 1 21 6246 1 1 18 HIS CB C -10.480 -4.602 3.897 1.00 . A A . 18 HIS CB 1 1 21 6247 1 1 18 HIS CD2 C -10.805 -2.464 5.328 1.00 . A A . 18 HIS CD2 1 1 21 6248 1 1 18 HIS CE1 C -9.953 -1.008 3.927 1.00 . A A . 18 HIS CE1 1 1 21 6249 1 1 18 HIS CG C -10.409 -3.143 4.226 1.00 . A A . 18 HIS CG 1 1 21 6250 1 1 18 HIS H H -8.984 -4.309 1.870 1.00 . A A . 18 HIS H 1 1 21 6251 1 1 18 HIS HA H -8.455 -4.887 4.526 1.00 . A A . 18 HIS HA 1 1 21 6252 1 1 18 HIS HB2 H -11.021 -4.706 2.967 1.00 . A A . 18 HIS HB2 1 1 21 6253 1 1 18 HIS HB3 H -11.031 -5.095 4.685 1.00 . A A . 18 HIS HB3 1 1 21 6254 1 1 18 HIS HD1 H -9.506 -2.384 2.481 1.00 . A A . 18 HIS HD1 1 1 21 6255 1 1 18 HIS HD2 H -11.267 -2.885 6.210 1.00 . A A . 18 HIS HD2 1 1 21 6256 1 1 18 HIS HE1 H -9.614 -0.082 3.488 1.00 . A A . 18 HIS HE1 1 1 21 6257 1 1 18 HIS N N -8.518 -4.934 2.463 1.00 . A A . 18 HIS N 1 1 21 6258 1 1 18 HIS ND1 N -9.880 -2.203 3.367 1.00 . A A . 18 HIS ND1 1 1 21 6259 1 1 18 HIS NE2 N -10.511 -1.139 5.117 1.00 . A A . 18 HIS NE2 1 1 21 6260 1 1 18 HIS O O -9.202 -7.294 5.037 1.00 . A A . 18 HIS O 1 1 21 6261 1 1 19 VAL C C -8.198 -9.605 3.090 1.00 . A A . 19 VAL C 1 1 21 6262 1 1 19 VAL CA C -9.539 -8.929 2.825 1.00 . A A . 19 VAL CA 1 1 21 6263 1 1 19 VAL CB C -10.114 -9.458 1.498 1.00 . A A . 19 VAL CB 1 1 21 6264 1 1 19 VAL CG1 C -10.421 -10.944 1.603 1.00 . A A . 19 VAL CG1 1 1 21 6265 1 1 19 VAL CG2 C -11.359 -8.675 1.108 1.00 . A A . 19 VAL CG2 1 1 21 6266 1 1 19 VAL H H -9.425 -7.008 1.944 1.00 . A A . 19 VAL H 1 1 21 6267 1 1 19 VAL HA H -10.225 -9.187 3.619 1.00 . A A . 19 VAL HA 1 1 21 6268 1 1 19 VAL HB H -9.371 -9.320 0.726 1.00 . A A . 19 VAL HB 1 1 21 6269 1 1 19 VAL HG11 H -11.406 -11.137 1.205 1.00 . A A . 19 VAL HG11 1 1 21 6270 1 1 19 VAL HG12 H -9.688 -11.504 1.040 1.00 . A A . 19 VAL HG12 1 1 21 6271 1 1 19 VAL HG13 H -10.386 -11.246 2.640 1.00 . A A . 19 VAL HG13 1 1 21 6272 1 1 19 VAL HG21 H -11.914 -9.227 0.364 1.00 . A A . 19 VAL HG21 1 1 21 6273 1 1 19 VAL HG22 H -11.977 -8.524 1.981 1.00 . A A . 19 VAL HG22 1 1 21 6274 1 1 19 VAL HG23 H -11.070 -7.716 0.702 1.00 . A A . 19 VAL HG23 1 1 21 6275 1 1 19 VAL N N -9.401 -7.478 2.803 1.00 . A A . 19 VAL N 1 1 21 6276 1 1 19 VAL O O -8.085 -10.456 3.972 1.00 . A A . 19 VAL O 1 1 21 6277 1 1 20 TRP C C -5.165 -9.239 3.721 1.00 . A A . 20 TRP C 1 1 21 6278 1 1 20 TRP CA C -5.851 -9.787 2.475 1.00 . A A . 20 TRP CA 1 1 21 6279 1 1 20 TRP CB C -5.003 -9.489 1.237 1.00 . A A . 20 TRP CB 1 1 21 6280 1 1 20 TRP CD1 C -6.468 -9.555 -0.865 1.00 . A A . 20 TRP CD1 1 1 21 6281 1 1 20 TRP CD2 C -5.204 -11.380 -0.565 1.00 . A A . 20 TRP CD2 1 1 21 6282 1 1 20 TRP CE2 C -5.955 -11.543 -1.745 1.00 . A A . 20 TRP CE2 1 1 21 6283 1 1 20 TRP CE3 C -4.335 -12.402 -0.174 1.00 . A A . 20 TRP CE3 1 1 21 6284 1 1 20 TRP CG C -5.547 -10.102 -0.017 1.00 . A A . 20 TRP CG 1 1 21 6285 1 1 20 TRP CH2 C -5.003 -13.670 -2.128 1.00 . A A . 20 TRP CH2 1 1 21 6286 1 1 20 TRP CZ2 C -5.862 -12.685 -2.535 1.00 . A A . 20 TRP CZ2 1 1 21 6287 1 1 20 TRP CZ3 C -4.244 -13.536 -0.958 1.00 . A A . 20 TRP CZ3 1 1 21 6288 1 1 20 TRP H H -7.339 -8.535 1.637 1.00 . A A . 20 TRP H 1 1 21 6289 1 1 20 TRP HA H -5.958 -10.857 2.578 1.00 . A A . 20 TRP HA 1 1 21 6290 1 1 20 TRP HB2 H -4.954 -8.420 1.092 1.00 . A A . 20 TRP HB2 1 1 21 6291 1 1 20 TRP HB3 H -4.006 -9.874 1.393 1.00 . A A . 20 TRP HB3 1 1 21 6292 1 1 20 TRP HD1 H -6.925 -8.588 -0.723 1.00 . A A . 20 TRP HD1 1 1 21 6293 1 1 20 TRP HE1 H -7.342 -10.250 -2.644 1.00 . A A . 20 TRP HE1 1 1 21 6294 1 1 20 TRP HE3 H -3.741 -12.317 0.725 1.00 . A A . 20 TRP HE3 1 1 21 6295 1 1 20 TRP HH2 H -4.901 -14.573 -2.710 1.00 . A A . 20 TRP HH2 1 1 21 6296 1 1 20 TRP HZ2 H -6.440 -12.804 -3.440 1.00 . A A . 20 TRP HZ2 1 1 21 6297 1 1 20 TRP HZ3 H -3.578 -14.336 -0.672 1.00 . A A . 20 TRP HZ3 1 1 21 6298 1 1 20 TRP N N -7.186 -9.219 2.322 1.00 . A A . 20 TRP N 1 1 21 6299 1 1 20 TRP NE1 N -6.718 -10.416 -1.906 1.00 . A A . 20 TRP NE1 1 1 21 6300 1 1 20 TRP O O -4.597 -8.147 3.700 1.00 . A A . 20 TRP O 1 1 22 6301 1 1 1 MET C C 3.097 -0.681 -0.619 1.00 . A A . 1 MET C 1 1 22 6302 1 1 1 MET CA C 1.958 0.328 -0.717 1.00 . A A . 1 MET CA 1 1 22 6303 1 1 1 MET CB C 2.524 1.741 -0.871 1.00 . A A . 1 MET CB 1 1 22 6304 1 1 1 MET CE C 3.306 4.661 -2.898 1.00 . A A . 1 MET CE 1 1 22 6305 1 1 1 MET CG C 3.207 1.979 -2.208 1.00 . A A . 1 MET CG 1 1 22 6306 1 1 1 MET H1 H 1.476 0.439 1.341 1.00 . A A . 1 MET H1 1 1 22 6307 1 1 1 MET HA H 1.358 0.094 -1.583 1.00 . A A . 1 MET HA 1 1 22 6308 1 1 1 MET HB2 H 1.718 2.452 -0.771 1.00 . A A . 1 MET HB2 1 1 22 6309 1 1 1 MET HB3 H 3.246 1.915 -0.087 1.00 . A A . 1 MET HB3 1 1 22 6310 1 1 1 MET HE1 H 3.585 5.623 -2.491 1.00 . A A . 1 MET HE1 1 1 22 6311 1 1 1 MET HE2 H 3.444 4.669 -3.969 1.00 . A A . 1 MET HE2 1 1 22 6312 1 1 1 MET HE3 H 2.269 4.461 -2.670 1.00 . A A . 1 MET HE3 1 1 22 6313 1 1 1 MET HG2 H 3.767 1.095 -2.474 1.00 . A A . 1 MET HG2 1 1 22 6314 1 1 1 MET HG3 H 2.449 2.161 -2.956 1.00 . A A . 1 MET HG3 1 1 22 6315 1 1 1 MET N N 1.095 0.254 0.457 1.00 . A A . 1 MET N 1 1 22 6316 1 1 1 MET O O 4.270 -0.323 -0.736 1.00 . A A . 1 MET O 1 1 22 6317 1 1 1 MET SD S 4.333 3.386 -2.172 1.00 . A A . 1 MET SD 1 1 22 6318 1 1 2 THR C C 3.561 -4.046 -1.391 1.00 . A A . 2 THR C 1 1 22 6319 1 1 2 THR CA C 3.738 -3.006 -0.290 1.00 . A A . 2 THR CA 1 1 22 6320 1 1 2 THR CB C 3.656 -3.706 1.080 1.00 . A A . 2 THR CB 1 1 22 6321 1 1 2 THR CG2 C 2.361 -4.494 1.209 1.00 . A A . 2 THR CG2 1 1 22 6322 1 1 2 THR H H 1.794 -2.168 -0.320 1.00 . A A . 2 THR H 1 1 22 6323 1 1 2 THR HA H 4.717 -2.558 -0.384 1.00 . A A . 2 THR HA 1 1 22 6324 1 1 2 THR HB H 3.681 -2.953 1.854 1.00 . A A . 2 THR HB 1 1 22 6325 1 1 2 THR HG1 H 5.240 -4.359 2.057 1.00 . A A . 2 THR HG1 1 1 22 6326 1 1 2 THR HG21 H 2.324 -4.968 2.178 1.00 . A A . 2 THR HG21 1 1 22 6327 1 1 2 THR HG22 H 2.321 -5.249 0.438 1.00 . A A . 2 THR HG22 1 1 22 6328 1 1 2 THR HG23 H 1.521 -3.825 1.102 1.00 . A A . 2 THR HG23 1 1 22 6329 1 1 2 THR N N 2.745 -1.945 -0.404 1.00 . A A . 2 THR N 1 1 22 6330 1 1 2 THR O O 4.525 -4.681 -1.816 1.00 . A A . 2 THR O 1 1 22 6331 1 1 2 THR OG1 O 4.774 -4.585 1.248 1.00 . A A . 2 THR OG1 1 1 22 6332 1 1 3 GLU C C 0.791 -4.749 -3.692 1.00 . A A . 3 GLU C 1 1 22 6333 1 1 3 GLU CA C 2.023 -5.177 -2.899 1.00 . A A . 3 GLU CA 1 1 22 6334 1 1 3 GLU CB C 1.800 -6.567 -2.300 1.00 . A A . 3 GLU CB 1 1 22 6335 1 1 3 GLU CD C 2.044 -7.805 -4.488 1.00 . A A . 3 GLU CD 1 1 22 6336 1 1 3 GLU CG C 1.176 -7.555 -3.270 1.00 . A A . 3 GLU CG 1 1 22 6337 1 1 3 GLU H H 1.597 -3.676 -1.468 1.00 . A A . 3 GLU H 1 1 22 6338 1 1 3 GLU HA H 2.870 -5.214 -3.567 1.00 . A A . 3 GLU HA 1 1 22 6339 1 1 3 GLU HB2 H 2.751 -6.963 -1.976 1.00 . A A . 3 GLU HB2 1 1 22 6340 1 1 3 GLU HB3 H 1.149 -6.476 -1.443 1.00 . A A . 3 GLU HB3 1 1 22 6341 1 1 3 GLU HG2 H 1.022 -8.494 -2.759 1.00 . A A . 3 GLU HG2 1 1 22 6342 1 1 3 GLU HG3 H 0.224 -7.166 -3.599 1.00 . A A . 3 GLU HG3 1 1 22 6343 1 1 3 GLU N N 2.324 -4.213 -1.847 1.00 . A A . 3 GLU N 1 1 22 6344 1 1 3 GLU O O 0.884 -4.415 -4.873 1.00 . A A . 3 GLU O 1 1 22 6345 1 1 3 GLU OE1 O 3.173 -8.311 -4.318 1.00 . A A . 3 GLU OE1 1 1 22 6346 1 1 3 GLU OE2 O 1.595 -7.493 -5.611 1.00 . A A . 3 GLU OE2 1 1 22 6347 1 1 4 TYR C C -2.101 -3.030 -3.160 1.00 . A A . 4 TYR C 1 1 22 6348 1 1 4 TYR CA C -1.615 -4.381 -3.676 1.00 . A A . 4 TYR CA 1 1 22 6349 1 1 4 TYR CB C -2.684 -5.448 -3.434 1.00 . A A . 4 TYR CB 1 1 22 6350 1 1 4 TYR CD1 C -3.002 -5.237 -0.937 1.00 . A A . 4 TYR CD1 1 1 22 6351 1 1 4 TYR CD2 C -2.302 -7.343 -1.809 1.00 . A A . 4 TYR CD2 1 1 22 6352 1 1 4 TYR CE1 C -2.983 -5.756 0.343 1.00 . A A . 4 TYR CE1 1 1 22 6353 1 1 4 TYR CE2 C -2.281 -7.870 -0.532 1.00 . A A . 4 TYR CE2 1 1 22 6354 1 1 4 TYR CG C -2.662 -6.019 -2.034 1.00 . A A . 4 TYR CG 1 1 22 6355 1 1 4 TYR CZ C -2.622 -7.072 0.541 1.00 . A A . 4 TYR CZ 1 1 22 6356 1 1 4 TYR H H -0.374 -5.040 -2.093 1.00 . A A . 4 TYR H 1 1 22 6357 1 1 4 TYR HA H -1.432 -4.303 -4.738 1.00 . A A . 4 TYR HA 1 1 22 6358 1 1 4 TYR HB2 H -3.658 -5.015 -3.599 1.00 . A A . 4 TYR HB2 1 1 22 6359 1 1 4 TYR HB3 H -2.534 -6.262 -4.127 1.00 . A A . 4 TYR HB3 1 1 22 6360 1 1 4 TYR HD1 H -3.285 -4.207 -1.096 1.00 . A A . 4 TYR HD1 1 1 22 6361 1 1 4 TYR HD2 H -2.036 -7.965 -2.651 1.00 . A A . 4 TYR HD2 1 1 22 6362 1 1 4 TYR HE1 H -3.250 -5.132 1.183 1.00 . A A . 4 TYR HE1 1 1 22 6363 1 1 4 TYR HE2 H -1.999 -8.901 -0.377 1.00 . A A . 4 TYR HE2 1 1 22 6364 1 1 4 TYR HH H -2.293 -6.923 2.429 1.00 . A A . 4 TYR HH 1 1 22 6365 1 1 4 TYR N N -0.363 -4.764 -3.033 1.00 . A A . 4 TYR N 1 1 22 6366 1 1 4 TYR O O -2.882 -2.344 -3.820 1.00 . A A . 4 TYR O 1 1 22 6367 1 1 4 TYR OH O -2.603 -7.593 1.814 1.00 . A A . 4 TYR OH 1 1 22 6368 1 1 5 LYS C C -1.484 -0.210 -2.180 1.00 . A A . 5 LYS C 1 1 22 6369 1 1 5 LYS CA C -2.018 -1.385 -1.368 1.00 . A A . 5 LYS CA 1 1 22 6370 1 1 5 LYS CB C -1.496 -1.304 0.069 1.00 . A A . 5 LYS CB 1 1 22 6371 1 1 5 LYS CD C -1.394 -2.666 2.177 1.00 . A A . 5 LYS CD 1 1 22 6372 1 1 5 LYS CE C -1.258 -1.631 3.284 1.00 . A A . 5 LYS CE 1 1 22 6373 1 1 5 LYS CG C -2.278 -2.162 1.049 1.00 . A A . 5 LYS CG 1 1 22 6374 1 1 5 LYS H H -1.014 -3.245 -1.496 1.00 . A A . 5 LYS H 1 1 22 6375 1 1 5 LYS HA H -3.096 -1.337 -1.353 1.00 . A A . 5 LYS HA 1 1 22 6376 1 1 5 LYS HB2 H -0.465 -1.627 0.083 1.00 . A A . 5 LYS HB2 1 1 22 6377 1 1 5 LYS HB3 H -1.548 -0.277 0.400 1.00 . A A . 5 LYS HB3 1 1 22 6378 1 1 5 LYS HD2 H -1.829 -3.563 2.591 1.00 . A A . 5 LYS HD2 1 1 22 6379 1 1 5 LYS HD3 H -0.412 -2.888 1.782 1.00 . A A . 5 LYS HD3 1 1 22 6380 1 1 5 LYS HE2 H -0.474 -0.939 3.018 1.00 . A A . 5 LYS HE2 1 1 22 6381 1 1 5 LYS HE3 H -2.193 -1.097 3.376 1.00 . A A . 5 LYS HE3 1 1 22 6382 1 1 5 LYS HG2 H -3.079 -1.573 1.470 1.00 . A A . 5 LYS HG2 1 1 22 6383 1 1 5 LYS HG3 H -2.691 -3.010 0.521 1.00 . A A . 5 LYS HG3 1 1 22 6384 1 1 5 LYS HZ1 H -1.000 -3.294 4.522 1.00 . A A . 5 LYS HZ1 1 1 22 6385 1 1 5 LYS HZ2 H -1.587 -1.925 5.325 1.00 . A A . 5 LYS HZ2 1 1 22 6386 1 1 5 LYS HZ3 H 0.041 -2.008 4.875 1.00 . A A . 5 LYS HZ3 1 1 22 6387 1 1 5 LYS N N -1.634 -2.654 -1.975 1.00 . A A . 5 LYS N 1 1 22 6388 1 1 5 LYS NZ N -0.928 -2.259 4.593 1.00 . A A . 5 LYS NZ 1 1 22 6389 1 1 5 LYS O O -1.907 0.932 -1.992 1.00 . A A . 5 LYS O 1 1 22 6390 1 1 6 LEU C C -0.827 0.793 -5.161 1.00 . A A . 6 LEU C 1 1 22 6391 1 1 6 LEU CA C 0.035 0.538 -3.929 1.00 . A A . 6 LEU CA 1 1 22 6392 1 1 6 LEU CB C 1.447 0.131 -4.355 1.00 . A A . 6 LEU CB 1 1 22 6393 1 1 6 LEU CD1 C 1.768 -0.868 -6.632 1.00 . A A . 6 LEU CD1 1 1 22 6394 1 1 6 LEU CD2 C 2.691 -2.029 -4.619 1.00 . A A . 6 LEU CD2 1 1 22 6395 1 1 6 LEU CG C 1.558 -1.167 -5.156 1.00 . A A . 6 LEU CG 1 1 22 6396 1 1 6 LEU H H -0.259 -1.424 -3.190 1.00 . A A . 6 LEU H 1 1 22 6397 1 1 6 LEU HA H 0.091 1.447 -3.349 1.00 . A A . 6 LEU HA 1 1 22 6398 1 1 6 LEU HB2 H 1.852 0.928 -4.960 1.00 . A A . 6 LEU HB2 1 1 22 6399 1 1 6 LEU HB3 H 2.043 0.021 -3.461 1.00 . A A . 6 LEU HB3 1 1 22 6400 1 1 6 LEU HD11 H 1.573 -1.758 -7.211 1.00 . A A . 6 LEU HD11 1 1 22 6401 1 1 6 LEU HD12 H 2.787 -0.549 -6.794 1.00 . A A . 6 LEU HD12 1 1 22 6402 1 1 6 LEU HD13 H 1.093 -0.082 -6.939 1.00 . A A . 6 LEU HD13 1 1 22 6403 1 1 6 LEU HD21 H 2.563 -2.171 -3.556 1.00 . A A . 6 LEU HD21 1 1 22 6404 1 1 6 LEU HD22 H 3.636 -1.539 -4.805 1.00 . A A . 6 LEU HD22 1 1 22 6405 1 1 6 LEU HD23 H 2.680 -2.989 -5.115 1.00 . A A . 6 LEU HD23 1 1 22 6406 1 1 6 LEU HG H 0.637 -1.724 -5.056 1.00 . A A . 6 LEU HG 1 1 22 6407 1 1 6 LEU N N -0.555 -0.496 -3.086 1.00 . A A . 6 LEU N 1 1 22 6408 1 1 6 LEU O O -0.681 1.815 -5.833 1.00 . A A . 6 LEU O 1 1 22 6409 1 1 7 VAL C C -4.067 0.133 -6.160 1.00 . A A . 7 VAL C 1 1 22 6410 1 1 7 VAL CA C -2.615 -0.016 -6.601 1.00 . A A . 7 VAL CA 1 1 22 6411 1 1 7 VAL CB C -2.496 -1.233 -7.538 1.00 . A A . 7 VAL CB 1 1 22 6412 1 1 7 VAL CG1 C -3.456 -1.101 -8.710 1.00 . A A . 7 VAL CG1 1 1 22 6413 1 1 7 VAL CG2 C -1.064 -1.391 -8.026 1.00 . A A . 7 VAL CG2 1 1 22 6414 1 1 7 VAL H H -1.795 -0.933 -4.879 1.00 . A A . 7 VAL H 1 1 22 6415 1 1 7 VAL HA H -2.324 0.866 -7.153 1.00 . A A . 7 VAL HA 1 1 22 6416 1 1 7 VAL HB H -2.764 -2.118 -6.980 1.00 . A A . 7 VAL HB 1 1 22 6417 1 1 7 VAL HG11 H -3.109 -1.712 -9.530 1.00 . A A . 7 VAL HG11 1 1 22 6418 1 1 7 VAL HG12 H -4.441 -1.426 -8.408 1.00 . A A . 7 VAL HG12 1 1 22 6419 1 1 7 VAL HG13 H -3.499 -0.068 -9.025 1.00 . A A . 7 VAL HG13 1 1 22 6420 1 1 7 VAL HG21 H -0.579 -0.426 -8.038 1.00 . A A . 7 VAL HG21 1 1 22 6421 1 1 7 VAL HG22 H -0.530 -2.055 -7.363 1.00 . A A . 7 VAL HG22 1 1 22 6422 1 1 7 VAL HG23 H -1.067 -1.805 -9.024 1.00 . A A . 7 VAL HG23 1 1 22 6423 1 1 7 VAL N N -1.727 -0.141 -5.452 1.00 . A A . 7 VAL N 1 1 22 6424 1 1 7 VAL O O -4.732 1.113 -6.495 1.00 . A A . 7 VAL O 1 1 22 6425 1 1 8 VAL C C -6.139 0.313 -3.926 1.00 . A A . 8 VAL C 1 1 22 6426 1 1 8 VAL CA C -5.927 -0.826 -4.916 1.00 . A A . 8 VAL CA 1 1 22 6427 1 1 8 VAL CB C -6.302 -2.157 -4.238 1.00 . A A . 8 VAL CB 1 1 22 6428 1 1 8 VAL CG1 C -7.731 -2.109 -3.721 1.00 . A A . 8 VAL CG1 1 1 22 6429 1 1 8 VAL CG2 C -6.115 -3.318 -5.204 1.00 . A A . 8 VAL CG2 1 1 22 6430 1 1 8 VAL H H -3.974 -1.603 -5.171 1.00 . A A . 8 VAL H 1 1 22 6431 1 1 8 VAL HA H -6.581 -0.681 -5.764 1.00 . A A . 8 VAL HA 1 1 22 6432 1 1 8 VAL HB H -5.643 -2.307 -3.396 1.00 . A A . 8 VAL HB 1 1 22 6433 1 1 8 VAL HG11 H -7.726 -1.846 -2.674 1.00 . A A . 8 VAL HG11 1 1 22 6434 1 1 8 VAL HG12 H -8.291 -1.370 -4.277 1.00 . A A . 8 VAL HG12 1 1 22 6435 1 1 8 VAL HG13 H -8.192 -3.078 -3.845 1.00 . A A . 8 VAL HG13 1 1 22 6436 1 1 8 VAL HG21 H -5.301 -3.941 -4.865 1.00 . A A . 8 VAL HG21 1 1 22 6437 1 1 8 VAL HG22 H -7.023 -3.900 -5.246 1.00 . A A . 8 VAL HG22 1 1 22 6438 1 1 8 VAL HG23 H -5.887 -2.934 -6.189 1.00 . A A . 8 VAL HG23 1 1 22 6439 1 1 8 VAL N N -4.553 -0.848 -5.405 1.00 . A A . 8 VAL N 1 1 22 6440 1 1 8 VAL O O -6.984 1.184 -4.137 1.00 . A A . 8 VAL O 1 1 22 6441 1 1 9 VAL C C -4.802 2.629 -2.277 1.00 . A A . 9 VAL C 1 1 22 6442 1 1 9 VAL CA C -5.469 1.336 -1.821 1.00 . A A . 9 VAL CA 1 1 22 6443 1 1 9 VAL CB C -4.828 0.880 -0.497 1.00 . A A . 9 VAL CB 1 1 22 6444 1 1 9 VAL CG1 C -5.124 1.879 0.611 1.00 . A A . 9 VAL CG1 1 1 22 6445 1 1 9 VAL CG2 C -5.319 -0.509 -0.119 1.00 . A A . 9 VAL CG2 1 1 22 6446 1 1 9 VAL H H -4.711 -0.418 -2.732 1.00 . A A . 9 VAL H 1 1 22 6447 1 1 9 VAL HA H -6.517 1.527 -1.643 1.00 . A A . 9 VAL HA 1 1 22 6448 1 1 9 VAL HB H -3.758 0.836 -0.635 1.00 . A A . 9 VAL HB 1 1 22 6449 1 1 9 VAL HG11 H -4.603 1.583 1.510 1.00 . A A . 9 VAL HG11 1 1 22 6450 1 1 9 VAL HG12 H -4.792 2.862 0.309 1.00 . A A . 9 VAL HG12 1 1 22 6451 1 1 9 VAL HG13 H -6.187 1.900 0.802 1.00 . A A . 9 VAL HG13 1 1 22 6452 1 1 9 VAL HG21 H -6.385 -0.480 0.054 1.00 . A A . 9 VAL HG21 1 1 22 6453 1 1 9 VAL HG22 H -5.102 -1.198 -0.921 1.00 . A A . 9 VAL HG22 1 1 22 6454 1 1 9 VAL HG23 H -4.818 -0.836 0.781 1.00 . A A . 9 VAL HG23 1 1 22 6455 1 1 9 VAL N N -5.367 0.302 -2.844 1.00 . A A . 9 VAL N 1 1 22 6456 1 1 9 VAL O O -5.160 3.717 -1.828 1.00 . A A . 9 VAL O 1 1 22 6457 1 1 10 GLY C C -4.045 4.629 -4.404 1.00 . A A . 10 GLY C 1 1 22 6458 1 1 10 GLY CA C -3.126 3.668 -3.677 1.00 . A A . 10 GLY CA 1 1 22 6459 1 1 10 GLY H H -3.585 1.609 -3.496 1.00 . A A . 10 GLY H 1 1 22 6460 1 1 10 GLY HA2 H -2.666 4.184 -2.847 1.00 . A A . 10 GLY HA2 1 1 22 6461 1 1 10 GLY HA3 H -2.353 3.342 -4.358 1.00 . A A . 10 GLY HA3 1 1 22 6462 1 1 10 GLY N N -3.828 2.502 -3.174 1.00 . A A . 10 GLY N 1 1 22 6463 1 1 10 GLY O O -3.710 5.799 -4.588 1.00 . A A . 10 GLY O 1 1 22 6464 1 1 11 ALA C C -7.170 5.593 -4.566 1.00 . A A . 11 ALA C 1 1 22 6465 1 1 11 ALA CA C -6.176 4.958 -5.532 1.00 . A A . 11 ALA CA 1 1 22 6466 1 1 11 ALA CB C -6.908 4.127 -6.576 1.00 . A A . 11 ALA CB 1 1 22 6467 1 1 11 ALA H H -5.415 3.194 -4.644 1.00 . A A . 11 ALA H 1 1 22 6468 1 1 11 ALA HA H -5.637 5.741 -6.045 1.00 . A A . 11 ALA HA 1 1 22 6469 1 1 11 ALA HB1 H -6.798 3.078 -6.342 1.00 . A A . 11 ALA HB1 1 1 22 6470 1 1 11 ALA HB2 H -7.956 4.389 -6.573 1.00 . A A . 11 ALA HB2 1 1 22 6471 1 1 11 ALA HB3 H -6.490 4.325 -7.551 1.00 . A A . 11 ALA HB3 1 1 22 6472 1 1 11 ALA N N -5.206 4.134 -4.821 1.00 . A A . 11 ALA N 1 1 22 6473 1 1 11 ALA O O -7.695 6.675 -4.823 1.00 . A A . 11 ALA O 1 1 22 6474 1 1 12 GLY C C -8.795 4.365 -1.476 1.00 . A A . 12 GLY C 1 1 22 6475 1 1 12 GLY CA C -8.355 5.426 -2.465 1.00 . A A . 12 GLY CA 1 1 22 6476 1 1 12 GLY H H -6.975 4.054 -3.300 1.00 . A A . 12 GLY H 1 1 22 6477 1 1 12 GLY HA2 H -7.882 6.232 -1.925 1.00 . A A . 12 GLY HA2 1 1 22 6478 1 1 12 GLY HA3 H -9.227 5.809 -2.975 1.00 . A A . 12 GLY HA3 1 1 22 6479 1 1 12 GLY N N -7.424 4.912 -3.452 1.00 . A A . 12 GLY N 1 1 22 6480 1 1 12 GLY O O -9.158 4.675 -0.342 1.00 . A A . 12 GLY O 1 1 22 6481 1 1 13 GLY C C -10.555 1.500 -1.362 1.00 . A A . 13 GLY C 1 1 22 6482 1 1 13 GLY CA C -9.167 2.016 -1.039 1.00 . A A . 13 GLY CA 1 1 22 6483 1 1 13 GLY H H -8.466 2.919 -2.821 1.00 . A A . 13 GLY H 1 1 22 6484 1 1 13 GLY HA2 H -8.460 1.207 -1.144 1.00 . A A . 13 GLY HA2 1 1 22 6485 1 1 13 GLY HA3 H -9.154 2.361 -0.015 1.00 . A A . 13 GLY HA3 1 1 22 6486 1 1 13 GLY N N -8.764 3.107 -1.906 1.00 . A A . 13 GLY N 1 1 22 6487 1 1 13 GLY O O -11.531 1.868 -0.708 1.00 . A A . 13 GLY O 1 1 22 6488 1 1 14 VAL C C -12.556 -0.728 -1.656 1.00 . A A . 14 VAL C 1 1 22 6489 1 1 14 VAL CA C -11.925 0.078 -2.786 1.00 . A A . 14 VAL CA 1 1 22 6490 1 1 14 VAL CB C -11.767 -0.828 -4.022 1.00 . A A . 14 VAL CB 1 1 22 6491 1 1 14 VAL CG1 C -13.128 -1.255 -4.549 1.00 . A A . 14 VAL CG1 1 1 22 6492 1 1 14 VAL CG2 C -10.966 -0.118 -5.103 1.00 . A A . 14 VAL CG2 1 1 22 6493 1 1 14 VAL H H -9.833 0.389 -2.860 1.00 . A A . 14 VAL H 1 1 22 6494 1 1 14 VAL HA H -12.584 0.894 -3.046 1.00 . A A . 14 VAL HA 1 1 22 6495 1 1 14 VAL HB H -11.226 -1.715 -3.726 1.00 . A A . 14 VAL HB 1 1 22 6496 1 1 14 VAL HG11 H -13.113 -2.313 -4.768 1.00 . A A . 14 VAL HG11 1 1 22 6497 1 1 14 VAL HG12 H -13.883 -1.051 -3.803 1.00 . A A . 14 VAL HG12 1 1 22 6498 1 1 14 VAL HG13 H -13.354 -0.705 -5.450 1.00 . A A . 14 VAL HG13 1 1 22 6499 1 1 14 VAL HG21 H -11.386 0.861 -5.278 1.00 . A A . 14 VAL HG21 1 1 22 6500 1 1 14 VAL HG22 H -9.940 -0.019 -4.784 1.00 . A A . 14 VAL HG22 1 1 22 6501 1 1 14 VAL HG23 H -11.005 -0.694 -6.017 1.00 . A A . 14 VAL HG23 1 1 22 6502 1 1 14 VAL N N -10.646 0.645 -2.376 1.00 . A A . 14 VAL N 1 1 22 6503 1 1 14 VAL O O -13.768 -0.680 -1.448 1.00 . A A . 14 VAL O 1 1 22 6504 1 1 15 GLY C C -12.252 -3.753 -0.160 1.00 . A A . 15 GLY C 1 1 22 6505 1 1 15 GLY CA C -12.221 -2.274 0.172 1.00 . A A . 15 GLY CA 1 1 22 6506 1 1 15 GLY H H -10.768 -1.467 -1.141 1.00 . A A . 15 GLY H 1 1 22 6507 1 1 15 GLY HA2 H -11.583 -2.122 1.030 1.00 . A A . 15 GLY HA2 1 1 22 6508 1 1 15 GLY HA3 H -13.222 -1.951 0.418 1.00 . A A . 15 GLY HA3 1 1 22 6509 1 1 15 GLY N N -11.725 -1.468 -0.929 1.00 . A A . 15 GLY N 1 1 22 6510 1 1 15 GLY O O -12.944 -4.530 0.497 1.00 . A A . 15 GLY O 1 1 22 6511 1 1 16 LYS C C -10.093 -6.156 -1.260 1.00 . A A . 16 LYS C 1 1 22 6512 1 1 16 LYS CA C -11.445 -5.538 -1.604 1.00 . A A . 16 LYS CA 1 1 22 6513 1 1 16 LYS CB C -11.701 -5.650 -3.109 1.00 . A A . 16 LYS CB 1 1 22 6514 1 1 16 LYS CD C -14.196 -5.375 -3.039 1.00 . A A . 16 LYS CD 1 1 22 6515 1 1 16 LYS CE C -14.985 -4.298 -2.310 1.00 . A A . 16 LYS CE 1 1 22 6516 1 1 16 LYS CG C -12.887 -4.831 -3.587 1.00 . A A . 16 LYS CG 1 1 22 6517 1 1 16 LYS H H -10.970 -3.476 -1.670 1.00 . A A . 16 LYS H 1 1 22 6518 1 1 16 LYS HA H -12.217 -6.075 -1.075 1.00 . A A . 16 LYS HA 1 1 22 6519 1 1 16 LYS HB2 H -10.821 -5.314 -3.637 1.00 . A A . 16 LYS HB2 1 1 22 6520 1 1 16 LYS HB3 H -11.883 -6.687 -3.355 1.00 . A A . 16 LYS HB3 1 1 22 6521 1 1 16 LYS HD2 H -14.792 -5.748 -3.859 1.00 . A A . 16 LYS HD2 1 1 22 6522 1 1 16 LYS HD3 H -13.982 -6.180 -2.351 1.00 . A A . 16 LYS HD3 1 1 22 6523 1 1 16 LYS HE2 H -15.510 -4.752 -1.484 1.00 . A A . 16 LYS HE2 1 1 22 6524 1 1 16 LYS HE3 H -14.295 -3.557 -1.934 1.00 . A A . 16 LYS HE3 1 1 22 6525 1 1 16 LYS HG2 H -12.766 -3.811 -3.254 1.00 . A A . 16 LYS HG2 1 1 22 6526 1 1 16 LYS HG3 H -12.920 -4.858 -4.667 1.00 . A A . 16 LYS HG3 1 1 22 6527 1 1 16 LYS HZ1 H -16.898 -4.098 -3.125 1.00 . A A . 16 LYS HZ1 1 1 22 6528 1 1 16 LYS HZ2 H -15.651 -3.685 -4.192 1.00 . A A . 16 LYS HZ2 1 1 22 6529 1 1 16 LYS HZ3 H -16.076 -2.632 -2.938 1.00 . A A . 16 LYS HZ3 1 1 22 6530 1 1 16 LYS N N -11.501 -4.143 -1.184 1.00 . A A . 16 LYS N 1 1 22 6531 1 1 16 LYS NZ N -15.972 -3.632 -3.204 1.00 . A A . 16 LYS NZ 1 1 22 6532 1 1 16 LYS O O -10.024 -7.257 -0.714 1.00 . A A . 16 LYS O 1 1 22 6533 1 1 17 SER C C -7.434 -6.049 0.191 1.00 . A A . 17 SER C 1 1 22 6534 1 1 17 SER CA C -7.671 -5.919 -1.310 1.00 . A A . 17 SER CA 1 1 22 6535 1 1 17 SER CB C -6.637 -4.970 -1.921 1.00 . A A . 17 SER CB 1 1 22 6536 1 1 17 SER H H -9.141 -4.569 -2.017 1.00 . A A . 17 SER H 1 1 22 6537 1 1 17 SER HA H -7.567 -6.893 -1.765 1.00 . A A . 17 SER HA 1 1 22 6538 1 1 17 SER HB2 H -7.089 -4.428 -2.737 1.00 . A A . 17 SER HB2 1 1 22 6539 1 1 17 SER HB3 H -6.303 -4.273 -1.166 1.00 . A A . 17 SER HB3 1 1 22 6540 1 1 17 SER HG H -5.709 -6.017 -3.292 1.00 . A A . 17 SER HG 1 1 22 6541 1 1 17 SER N N -9.021 -5.440 -1.583 1.00 . A A . 17 SER N 1 1 22 6542 1 1 17 SER O O -6.584 -6.824 0.632 1.00 . A A . 17 SER O 1 1 22 6543 1 1 17 SER OG O -5.517 -5.685 -2.412 1.00 . A A . 17 SER OG 1 1 22 6544 1 1 18 HIS C C -8.224 -6.738 2.955 1.00 . A A . 18 HIS C 1 1 22 6545 1 1 18 HIS CA C -8.066 -5.316 2.425 1.00 . A A . 18 HIS CA 1 1 22 6546 1 1 18 HIS CB C -9.108 -4.401 3.068 1.00 . A A . 18 HIS CB 1 1 22 6547 1 1 18 HIS CD2 C -8.271 -2.084 3.880 1.00 . A A . 18 HIS CD2 1 1 22 6548 1 1 18 HIS CE1 C -8.568 -0.965 2.018 1.00 . A A . 18 HIS CE1 1 1 22 6549 1 1 18 HIS CG C -8.773 -2.945 2.963 1.00 . A A . 18 HIS CG 1 1 22 6550 1 1 18 HIS H H -8.852 -4.689 0.562 1.00 . A A . 18 HIS H 1 1 22 6551 1 1 18 HIS HA H -7.080 -4.958 2.680 1.00 . A A . 18 HIS HA 1 1 22 6552 1 1 18 HIS HB2 H -10.061 -4.556 2.584 1.00 . A A . 18 HIS HB2 1 1 22 6553 1 1 18 HIS HB3 H -9.198 -4.647 4.116 1.00 . A A . 18 HIS HB3 1 1 22 6554 1 1 18 HIS HD1 H -9.299 -2.557 0.960 1.00 . A A . 18 HIS HD1 1 1 22 6555 1 1 18 HIS HD2 H -8.011 -2.316 4.903 1.00 . A A . 18 HIS HD2 1 1 22 6556 1 1 18 HIS HE1 H -8.593 -0.166 1.292 1.00 . A A . 18 HIS HE1 1 1 22 6557 1 1 18 HIS N N -8.192 -5.286 0.972 1.00 . A A . 18 HIS N 1 1 22 6558 1 1 18 HIS ND1 N -8.949 -2.213 1.808 1.00 . A A . 18 HIS ND1 1 1 22 6559 1 1 18 HIS NE2 N -8.153 -0.861 3.267 1.00 . A A . 18 HIS NE2 1 1 22 6560 1 1 18 HIS O O -7.697 -7.079 4.014 1.00 . A A . 18 HIS O 1 1 22 6561 1 1 19 VAL C C -7.866 -9.652 2.926 1.00 . A A . 19 VAL C 1 1 22 6562 1 1 19 VAL CA C -9.181 -8.949 2.607 1.00 . A A . 19 VAL CA 1 1 22 6563 1 1 19 VAL CB C -9.916 -9.733 1.504 1.00 . A A . 19 VAL CB 1 1 22 6564 1 1 19 VAL CG1 C -10.113 -11.183 1.920 1.00 . A A . 19 VAL CG1 1 1 22 6565 1 1 19 VAL CG2 C -11.250 -9.076 1.182 1.00 . A A . 19 VAL CG2 1 1 22 6566 1 1 19 VAL H H -9.348 -7.234 1.378 1.00 . A A . 19 VAL H 1 1 22 6567 1 1 19 VAL HA H -9.801 -8.946 3.492 1.00 . A A . 19 VAL HA 1 1 22 6568 1 1 19 VAL HB H -9.307 -9.718 0.612 1.00 . A A . 19 VAL HB 1 1 22 6569 1 1 19 VAL HG11 H -9.321 -11.788 1.503 1.00 . A A . 19 VAL HG11 1 1 22 6570 1 1 19 VAL HG12 H -10.092 -11.254 2.998 1.00 . A A . 19 VAL HG12 1 1 22 6571 1 1 19 VAL HG13 H -11.066 -11.536 1.554 1.00 . A A . 19 VAL HG13 1 1 22 6572 1 1 19 VAL HG21 H -11.280 -8.089 1.618 1.00 . A A . 19 VAL HG21 1 1 22 6573 1 1 19 VAL HG22 H -11.364 -9.002 0.111 1.00 . A A . 19 VAL HG22 1 1 22 6574 1 1 19 VAL HG23 H -12.053 -9.674 1.589 1.00 . A A . 19 VAL HG23 1 1 22 6575 1 1 19 VAL N N -8.954 -7.564 2.212 1.00 . A A . 19 VAL N 1 1 22 6576 1 1 19 VAL O O -7.823 -10.562 3.754 1.00 . A A . 19 VAL O 1 1 22 6577 1 1 20 TRP C C -4.669 -8.987 3.470 1.00 . A A . 20 TRP C 1 1 22 6578 1 1 20 TRP CA C -5.480 -9.813 2.477 1.00 . A A . 20 TRP CA 1 1 22 6579 1 1 20 TRP CB C -4.727 -9.923 1.151 1.00 . A A . 20 TRP CB 1 1 22 6580 1 1 20 TRP CD1 C -6.329 -9.826 -0.847 1.00 . A A . 20 TRP CD1 1 1 22 6581 1 1 20 TRP CD2 C -5.686 -11.896 -0.283 1.00 . A A . 20 TRP CD2 1 1 22 6582 1 1 20 TRP CE2 C -6.557 -11.982 -1.386 1.00 . A A . 20 TRP CE2 1 1 22 6583 1 1 20 TRP CE3 C -5.151 -13.074 0.247 1.00 . A A . 20 TRP CE3 1 1 22 6584 1 1 20 TRP CG C -5.553 -10.509 0.045 1.00 . A A . 20 TRP CG 1 1 22 6585 1 1 20 TRP CH2 C -6.368 -14.336 -1.427 1.00 . A A . 20 TRP CH2 1 1 22 6586 1 1 20 TRP CZ2 C -6.906 -13.198 -1.966 1.00 . A A . 20 TRP CZ2 1 1 22 6587 1 1 20 TRP CZ3 C -5.499 -14.281 -0.330 1.00 . A A . 20 TRP CZ3 1 1 22 6588 1 1 20 TRP H H -6.896 -8.495 1.616 1.00 . A A . 20 TRP H 1 1 22 6589 1 1 20 TRP HA H -5.623 -10.804 2.883 1.00 . A A . 20 TRP HA 1 1 22 6590 1 1 20 TRP HB2 H -4.408 -8.939 0.842 1.00 . A A . 20 TRP HB2 1 1 22 6591 1 1 20 TRP HB3 H -3.860 -10.552 1.289 1.00 . A A . 20 TRP HB3 1 1 22 6592 1 1 20 TRP HD1 H -6.441 -8.753 -0.860 1.00 . A A . 20 TRP HD1 1 1 22 6593 1 1 20 TRP HE1 H -7.542 -10.459 -2.441 1.00 . A A . 20 TRP HE1 1 1 22 6594 1 1 20 TRP HE3 H -4.479 -13.052 1.092 1.00 . A A . 20 TRP HE3 1 1 22 6595 1 1 20 TRP HH2 H -6.612 -15.300 -1.845 1.00 . A A . 20 TRP HH2 1 1 22 6596 1 1 20 TRP HZ2 H -7.575 -13.257 -2.812 1.00 . A A . 20 TRP HZ2 1 1 22 6597 1 1 20 TRP HZ3 H -5.096 -15.201 0.066 1.00 . A A . 20 TRP HZ3 1 1 22 6598 1 1 20 TRP N N -6.798 -9.224 2.264 1.00 . A A . 20 TRP N 1 1 22 6599 1 1 20 TRP NE1 N -6.937 -10.706 -1.711 1.00 . A A . 20 TRP NE1 1 1 22 6600 1 1 20 TRP O O -3.602 -9.408 3.917 1.00 . A A . 20 TRP O 1 1 23 6601 1 1 1 MET C C 3.614 -0.810 -0.841 1.00 . A A . 1 MET C 1 1 23 6602 1 1 1 MET CA C 2.828 0.408 -1.316 1.00 . A A . 1 MET CA 1 1 23 6603 1 1 1 MET CB C 3.080 1.590 -0.378 1.00 . A A . 1 MET CB 1 1 23 6604 1 1 1 MET CE C 5.551 2.786 1.664 1.00 . A A . 1 MET CE 1 1 23 6605 1 1 1 MET CG C 4.280 2.434 -0.774 1.00 . A A . 1 MET CG 1 1 23 6606 1 1 1 MET H1 H 0.767 0.712 -0.941 1.00 . A A . 1 MET H1 1 1 23 6607 1 1 1 MET HA H 3.160 0.671 -2.309 1.00 . A A . 1 MET HA 1 1 23 6608 1 1 1 MET HB2 H 2.206 2.224 -0.374 1.00 . A A . 1 MET HB2 1 1 23 6609 1 1 1 MET HB3 H 3.246 1.213 0.620 1.00 . A A . 1 MET HB3 1 1 23 6610 1 1 1 MET HE1 H 6.407 2.314 1.203 1.00 . A A . 1 MET HE1 1 1 23 6611 1 1 1 MET HE2 H 5.885 3.450 2.448 1.00 . A A . 1 MET HE2 1 1 23 6612 1 1 1 MET HE3 H 4.905 2.030 2.083 1.00 . A A . 1 MET HE3 1 1 23 6613 1 1 1 MET HG2 H 5.143 1.791 -0.866 1.00 . A A . 1 MET HG2 1 1 23 6614 1 1 1 MET HG3 H 4.077 2.899 -1.727 1.00 . A A . 1 MET HG3 1 1 23 6615 1 1 1 MET N N 1.402 0.111 -1.384 1.00 . A A . 1 MET N 1 1 23 6616 1 1 1 MET O O 4.838 -0.760 -0.709 1.00 . A A . 1 MET O 1 1 23 6617 1 1 1 MET SD S 4.651 3.723 0.431 1.00 . A A . 1 MET SD 1 1 23 6618 1 1 2 THR C C 3.351 -4.260 -1.133 1.00 . A A . 2 THR C 1 1 23 6619 1 1 2 THR CA C 3.535 -3.134 -0.122 1.00 . A A . 2 THR CA 1 1 23 6620 1 1 2 THR CB C 2.966 -3.582 1.237 1.00 . A A . 2 THR CB 1 1 23 6621 1 1 2 THR CG2 C 1.509 -4.000 1.102 1.00 . A A . 2 THR CG2 1 1 23 6622 1 1 2 THR H H 1.933 -1.882 -0.708 1.00 . A A . 2 THR H 1 1 23 6623 1 1 2 THR HA H 4.592 -2.942 0.000 1.00 . A A . 2 THR HA 1 1 23 6624 1 1 2 THR HB H 3.024 -2.751 1.926 1.00 . A A . 2 THR HB 1 1 23 6625 1 1 2 THR HG1 H 3.455 -5.490 1.335 1.00 . A A . 2 THR HG1 1 1 23 6626 1 1 2 THR HG21 H 1.429 -4.793 0.373 1.00 . A A . 2 THR HG21 1 1 23 6627 1 1 2 THR HG22 H 0.920 -3.155 0.779 1.00 . A A . 2 THR HG22 1 1 23 6628 1 1 2 THR HG23 H 1.145 -4.350 2.056 1.00 . A A . 2 THR HG23 1 1 23 6629 1 1 2 THR N N 2.904 -1.904 -0.584 1.00 . A A . 2 THR N 1 1 23 6630 1 1 2 THR O O 4.134 -5.209 -1.168 1.00 . A A . 2 THR O 1 1 23 6631 1 1 2 THR OG1 O 3.735 -4.673 1.755 1.00 . A A . 2 THR OG1 1 1 23 6632 1 1 3 GLU C C 0.822 -4.755 -3.812 1.00 . A A . 3 GLU C 1 1 23 6633 1 1 3 GLU CA C 2.027 -5.157 -2.967 1.00 . A A . 3 GLU CA 1 1 23 6634 1 1 3 GLU CB C 1.772 -6.514 -2.308 1.00 . A A . 3 GLU CB 1 1 23 6635 1 1 3 GLU CD C 1.008 -8.904 -2.599 1.00 . A A . 3 GLU CD 1 1 23 6636 1 1 3 GLU CG C 1.163 -7.542 -3.247 1.00 . A A . 3 GLU CG 1 1 23 6637 1 1 3 GLU H H 1.724 -3.367 -1.878 1.00 . A A . 3 GLU H 1 1 23 6638 1 1 3 GLU HA H 2.891 -5.237 -3.609 1.00 . A A . 3 GLU HA 1 1 23 6639 1 1 3 GLU HB2 H 2.709 -6.904 -1.938 1.00 . A A . 3 GLU HB2 1 1 23 6640 1 1 3 GLU HB3 H 1.097 -6.375 -1.476 1.00 . A A . 3 GLU HB3 1 1 23 6641 1 1 3 GLU HG2 H 0.189 -7.196 -3.558 1.00 . A A . 3 GLU HG2 1 1 23 6642 1 1 3 GLU HG3 H 1.801 -7.643 -4.112 1.00 . A A . 3 GLU HG3 1 1 23 6643 1 1 3 GLU N N 2.313 -4.147 -1.955 1.00 . A A . 3 GLU N 1 1 23 6644 1 1 3 GLU O O 0.948 -4.494 -5.009 1.00 . A A . 3 GLU O 1 1 23 6645 1 1 3 GLU OE1 O 1.999 -9.406 -2.028 1.00 . A A . 3 GLU OE1 1 1 23 6646 1 1 3 GLU OE2 O -0.104 -9.469 -2.662 1.00 . A A . 3 GLU OE2 1 1 23 6647 1 1 4 TYR C C -2.083 -2.983 -3.402 1.00 . A A . 4 TYR C 1 1 23 6648 1 1 4 TYR CA C -1.575 -4.342 -3.875 1.00 . A A . 4 TYR CA 1 1 23 6649 1 1 4 TYR CB C -2.650 -5.406 -3.650 1.00 . A A . 4 TYR CB 1 1 23 6650 1 1 4 TYR CD1 C -3.057 -5.154 -1.170 1.00 . A A . 4 TYR CD1 1 1 23 6651 1 1 4 TYR CD2 C -2.317 -7.270 -1.979 1.00 . A A . 4 TYR CD2 1 1 23 6652 1 1 4 TYR CE1 C -3.080 -5.649 0.119 1.00 . A A . 4 TYR CE1 1 1 23 6653 1 1 4 TYR CE2 C -2.338 -7.775 -0.693 1.00 . A A . 4 TYR CE2 1 1 23 6654 1 1 4 TYR CG C -2.675 -5.953 -2.240 1.00 . A A . 4 TYR CG 1 1 23 6655 1 1 4 TYR CZ C -2.720 -6.960 0.353 1.00 . A A . 4 TYR CZ 1 1 23 6656 1 1 4 TYR H H -0.384 -4.928 -2.227 1.00 . A A . 4 TYR H 1 1 23 6657 1 1 4 TYR HA H -1.356 -4.284 -4.931 1.00 . A A . 4 TYR HA 1 1 23 6658 1 1 4 TYR HB2 H -3.619 -4.979 -3.856 1.00 . A A . 4 TYR HB2 1 1 23 6659 1 1 4 TYR HB3 H -2.476 -6.232 -4.323 1.00 . A A . 4 TYR HB3 1 1 23 6660 1 1 4 TYR HD1 H -3.338 -4.127 -1.357 1.00 . A A . 4 TYR HD1 1 1 23 6661 1 1 4 TYR HD2 H -2.018 -7.906 -2.800 1.00 . A A . 4 TYR HD2 1 1 23 6662 1 1 4 TYR HE1 H -3.379 -5.012 0.938 1.00 . A A . 4 TYR HE1 1 1 23 6663 1 1 4 TYR HE2 H -2.057 -8.801 -0.510 1.00 . A A . 4 TYR HE2 1 1 23 6664 1 1 4 TYR HH H -2.407 -6.794 2.242 1.00 . A A . 4 TYR HH 1 1 23 6665 1 1 4 TYR N N -0.346 -4.709 -3.182 1.00 . A A . 4 TYR N 1 1 23 6666 1 1 4 TYR O O -2.837 -2.309 -4.104 1.00 . A A . 4 TYR O 1 1 23 6667 1 1 4 TYR OH O -2.743 -7.458 1.635 1.00 . A A . 4 TYR OH 1 1 23 6668 1 1 5 LYS C C -1.613 -0.148 -2.518 1.00 . A A . 5 LYS C 1 1 23 6669 1 1 5 LYS CA C -2.070 -1.306 -1.637 1.00 . A A . 5 LYS CA 1 1 23 6670 1 1 5 LYS CB C -1.497 -1.146 -0.227 1.00 . A A . 5 LYS CB 1 1 23 6671 1 1 5 LYS CD C -1.354 -2.496 1.886 1.00 . A A . 5 LYS CD 1 1 23 6672 1 1 5 LYS CE C -2.025 -2.553 3.250 1.00 . A A . 5 LYS CE 1 1 23 6673 1 1 5 LYS CG C -2.276 -1.900 0.836 1.00 . A A . 5 LYS CG 1 1 23 6674 1 1 5 LYS H H -1.061 -3.166 -1.693 1.00 . A A . 5 LYS H 1 1 23 6675 1 1 5 LYS HA H -3.148 -1.297 -1.581 1.00 . A A . 5 LYS HA 1 1 23 6676 1 1 5 LYS HB2 H -0.479 -1.507 -0.222 1.00 . A A . 5 LYS HB2 1 1 23 6677 1 1 5 LYS HB3 H -1.499 -0.096 0.032 1.00 . A A . 5 LYS HB3 1 1 23 6678 1 1 5 LYS HD2 H -1.083 -3.498 1.589 1.00 . A A . 5 LYS HD2 1 1 23 6679 1 1 5 LYS HD3 H -0.464 -1.887 1.958 1.00 . A A . 5 LYS HD3 1 1 23 6680 1 1 5 LYS HE2 H -2.955 -3.093 3.157 1.00 . A A . 5 LYS HE2 1 1 23 6681 1 1 5 LYS HE3 H -1.373 -3.074 3.935 1.00 . A A . 5 LYS HE3 1 1 23 6682 1 1 5 LYS HG2 H -2.961 -1.219 1.319 1.00 . A A . 5 LYS HG2 1 1 23 6683 1 1 5 LYS HG3 H -2.832 -2.698 0.363 1.00 . A A . 5 LYS HG3 1 1 23 6684 1 1 5 LYS HZ1 H -2.541 -1.249 4.798 1.00 . A A . 5 LYS HZ1 1 1 23 6685 1 1 5 LYS HZ2 H -3.106 -0.766 3.278 1.00 . A A . 5 LYS HZ2 1 1 23 6686 1 1 5 LYS HZ3 H -1.471 -0.583 3.670 1.00 . A A . 5 LYS HZ3 1 1 23 6687 1 1 5 LYS N N -1.662 -2.585 -2.206 1.00 . A A . 5 LYS N 1 1 23 6688 1 1 5 LYS NZ N -2.305 -1.193 3.787 1.00 . A A . 5 LYS NZ 1 1 23 6689 1 1 5 LYS O O -2.133 0.964 -2.418 1.00 . A A . 5 LYS O 1 1 23 6690 1 1 6 LEU C C -0.995 0.746 -5.518 1.00 . A A . 6 LEU C 1 1 23 6691 1 1 6 LEU CA C -0.113 0.604 -4.282 1.00 . A A . 6 LEU CA 1 1 23 6692 1 1 6 LEU CB C 1.317 0.256 -4.699 1.00 . A A . 6 LEU CB 1 1 23 6693 1 1 6 LEU CD1 C 1.611 -0.790 -6.958 1.00 . A A . 6 LEU CD1 1 1 23 6694 1 1 6 LEU CD2 C 2.711 -1.812 -4.957 1.00 . A A . 6 LEU CD2 1 1 23 6695 1 1 6 LEU CG C 1.492 -1.056 -5.465 1.00 . A A . 6 LEU CG 1 1 23 6696 1 1 6 LEU H H -0.265 -1.320 -3.415 1.00 . A A . 6 LEU H 1 1 23 6697 1 1 6 LEU HA H -0.106 1.544 -3.750 1.00 . A A . 6 LEU HA 1 1 23 6698 1 1 6 LEU HB2 H 1.683 1.055 -5.324 1.00 . A A . 6 LEU HB2 1 1 23 6699 1 1 6 LEU HB3 H 1.917 0.199 -3.802 1.00 . A A . 6 LEU HB3 1 1 23 6700 1 1 6 LEU HD11 H 2.498 -0.206 -7.149 1.00 . A A . 6 LEU HD11 1 1 23 6701 1 1 6 LEU HD12 H 0.742 -0.247 -7.297 1.00 . A A . 6 LEU HD12 1 1 23 6702 1 1 6 LEU HD13 H 1.677 -1.730 -7.487 1.00 . A A . 6 LEU HD13 1 1 23 6703 1 1 6 LEU HD21 H 2.531 -2.146 -3.946 1.00 . A A . 6 LEU HD21 1 1 23 6704 1 1 6 LEU HD22 H 3.571 -1.160 -4.974 1.00 . A A . 6 LEU HD22 1 1 23 6705 1 1 6 LEU HD23 H 2.894 -2.667 -5.592 1.00 . A A . 6 LEU HD23 1 1 23 6706 1 1 6 LEU HG H 0.621 -1.677 -5.306 1.00 . A A . 6 LEU HG 1 1 23 6707 1 1 6 LEU N N -0.640 -0.416 -3.381 1.00 . A A . 6 LEU N 1 1 23 6708 1 1 6 LEU O O -0.863 1.704 -6.281 1.00 . A A . 6 LEU O 1 1 23 6709 1 1 7 VAL C C -4.249 -0.006 -6.401 1.00 . A A . 7 VAL C 1 1 23 6710 1 1 7 VAL CA C -2.804 -0.191 -6.851 1.00 . A A . 7 VAL CA 1 1 23 6711 1 1 7 VAL CB C -2.696 -1.488 -7.675 1.00 . A A . 7 VAL CB 1 1 23 6712 1 1 7 VAL CG1 C -3.525 -1.382 -8.947 1.00 . A A . 7 VAL CG1 1 1 23 6713 1 1 7 VAL CG2 C -1.242 -1.793 -8.001 1.00 . A A . 7 VAL CG2 1 1 23 6714 1 1 7 VAL H H -1.954 -0.949 -5.066 1.00 . A A . 7 VAL H 1 1 23 6715 1 1 7 VAL HA H -2.524 0.638 -7.484 1.00 . A A . 7 VAL HA 1 1 23 6716 1 1 7 VAL HB H -3.089 -2.301 -7.083 1.00 . A A . 7 VAL HB 1 1 23 6717 1 1 7 VAL HG11 H -3.191 -0.533 -9.524 1.00 . A A . 7 VAL HG11 1 1 23 6718 1 1 7 VAL HG12 H -3.407 -2.284 -9.529 1.00 . A A . 7 VAL HG12 1 1 23 6719 1 1 7 VAL HG13 H -4.566 -1.253 -8.688 1.00 . A A . 7 VAL HG13 1 1 23 6720 1 1 7 VAL HG21 H -0.805 -0.953 -8.519 1.00 . A A . 7 VAL HG21 1 1 23 6721 1 1 7 VAL HG22 H -0.699 -1.974 -7.085 1.00 . A A . 7 VAL HG22 1 1 23 6722 1 1 7 VAL HG23 H -1.189 -2.670 -8.629 1.00 . A A . 7 VAL HG23 1 1 23 6723 1 1 7 VAL N N -1.897 -0.211 -5.709 1.00 . A A . 7 VAL N 1 1 23 6724 1 1 7 VAL O O -4.930 0.924 -6.833 1.00 . A A . 7 VAL O 1 1 23 6725 1 1 8 VAL C C -6.283 0.410 -4.164 1.00 . A A . 8 VAL C 1 1 23 6726 1 1 8 VAL CA C -6.076 -0.833 -5.022 1.00 . A A . 8 VAL CA 1 1 23 6727 1 1 8 VAL CB C -6.425 -2.081 -4.190 1.00 . A A . 8 VAL CB 1 1 23 6728 1 1 8 VAL CG1 C -7.860 -2.006 -3.691 1.00 . A A . 8 VAL CG1 1 1 23 6729 1 1 8 VAL CG2 C -6.202 -3.345 -5.007 1.00 . A A . 8 VAL CG2 1 1 23 6730 1 1 8 VAL H H -4.121 -1.617 -5.225 1.00 . A A . 8 VAL H 1 1 23 6731 1 1 8 VAL HA H -6.747 -0.790 -5.868 1.00 . A A . 8 VAL HA 1 1 23 6732 1 1 8 VAL HB H -5.770 -2.112 -3.332 1.00 . A A . 8 VAL HB 1 1 23 6733 1 1 8 VAL HG11 H -8.189 -2.991 -3.394 1.00 . A A . 8 VAL HG11 1 1 23 6734 1 1 8 VAL HG12 H -7.912 -1.337 -2.844 1.00 . A A . 8 VAL HG12 1 1 23 6735 1 1 8 VAL HG13 H -8.497 -1.637 -4.481 1.00 . A A . 8 VAL HG13 1 1 23 6736 1 1 8 VAL HG21 H -5.247 -3.777 -4.748 1.00 . A A . 8 VAL HG21 1 1 23 6737 1 1 8 VAL HG22 H -6.988 -4.053 -4.796 1.00 . A A . 8 VAL HG22 1 1 23 6738 1 1 8 VAL HG23 H -6.211 -3.100 -6.060 1.00 . A A . 8 VAL HG23 1 1 23 6739 1 1 8 VAL N N -4.711 -0.898 -5.531 1.00 . A A . 8 VAL N 1 1 23 6740 1 1 8 VAL O O -7.142 1.243 -4.454 1.00 . A A . 8 VAL O 1 1 23 6741 1 1 9 VAL C C -4.902 2.900 -2.798 1.00 . A A . 9 VAL C 1 1 23 6742 1 1 9 VAL CA C -5.583 1.673 -2.203 1.00 . A A . 9 VAL CA 1 1 23 6743 1 1 9 VAL CB C -4.951 1.361 -0.834 1.00 . A A . 9 VAL CB 1 1 23 6744 1 1 9 VAL CG1 C -5.235 2.484 0.153 1.00 . A A . 9 VAL CG1 1 1 23 6745 1 1 9 VAL CG2 C -5.462 0.031 -0.302 1.00 . A A . 9 VAL CG2 1 1 23 6746 1 1 9 VAL H H -4.824 -0.166 -2.924 1.00 . A A . 9 VAL H 1 1 23 6747 1 1 9 VAL HA H -6.630 1.893 -2.051 1.00 . A A . 9 VAL HA 1 1 23 6748 1 1 9 VAL HB H -3.881 1.287 -0.962 1.00 . A A . 9 VAL HB 1 1 23 6749 1 1 9 VAL HG11 H -4.302 2.863 0.544 1.00 . A A . 9 VAL HG11 1 1 23 6750 1 1 9 VAL HG12 H -5.766 3.279 -0.349 1.00 . A A . 9 VAL HG12 1 1 23 6751 1 1 9 VAL HG13 H -5.837 2.105 0.965 1.00 . A A . 9 VAL HG13 1 1 23 6752 1 1 9 VAL HG21 H -5.166 -0.763 -0.971 1.00 . A A . 9 VAL HG21 1 1 23 6753 1 1 9 VAL HG22 H -5.043 -0.149 0.677 1.00 . A A . 9 VAL HG22 1 1 23 6754 1 1 9 VAL HG23 H -6.540 0.060 -0.232 1.00 . A A . 9 VAL HG23 1 1 23 6755 1 1 9 VAL N N -5.489 0.530 -3.104 1.00 . A A . 9 VAL N 1 1 23 6756 1 1 9 VAL O O -5.267 4.034 -2.494 1.00 . A A . 9 VAL O 1 1 23 6757 1 1 10 GLY C C -4.093 4.632 -5.126 1.00 . A A . 10 GLY C 1 1 23 6758 1 1 10 GLY CA C -3.191 3.759 -4.276 1.00 . A A . 10 GLY CA 1 1 23 6759 1 1 10 GLY H H -3.661 1.737 -3.856 1.00 . A A . 10 GLY H 1 1 23 6760 1 1 10 GLY HA2 H -2.741 4.366 -3.505 1.00 . A A . 10 GLY HA2 1 1 23 6761 1 1 10 GLY HA3 H -2.410 3.352 -4.901 1.00 . A A . 10 GLY HA3 1 1 23 6762 1 1 10 GLY N N -3.908 2.663 -3.650 1.00 . A A . 10 GLY N 1 1 23 6763 1 1 10 GLY O O -3.748 5.771 -5.440 1.00 . A A . 10 GLY O 1 1 23 6764 1 1 11 ALA C C -7.179 5.623 -5.450 1.00 . A A . 11 ALA C 1 1 23 6765 1 1 11 ALA CA C -6.204 4.835 -6.319 1.00 . A A . 11 ALA CA 1 1 23 6766 1 1 11 ALA CB C -6.960 3.885 -7.235 1.00 . A A . 11 ALA CB 1 1 23 6767 1 1 11 ALA H H -5.468 3.184 -5.218 1.00 . A A . 11 ALA H 1 1 23 6768 1 1 11 ALA HA H -5.649 5.527 -6.936 1.00 . A A . 11 ALA HA 1 1 23 6769 1 1 11 ALA HB1 H -7.989 4.203 -7.312 1.00 . A A . 11 ALA HB1 1 1 23 6770 1 1 11 ALA HB2 H -6.506 3.892 -8.215 1.00 . A A . 11 ALA HB2 1 1 23 6771 1 1 11 ALA HB3 H -6.921 2.886 -6.828 1.00 . A A . 11 ALA HB3 1 1 23 6772 1 1 11 ALA N N -5.250 4.097 -5.500 1.00 . A A . 11 ALA N 1 1 23 6773 1 1 11 ALA O O -7.499 6.773 -5.745 1.00 . A A . 11 ALA O 1 1 23 6774 1 1 12 GLY C C -8.812 4.868 -2.204 1.00 . A A . 12 GLY C 1 1 23 6775 1 1 12 GLY CA C -8.584 5.651 -3.482 1.00 . A A . 12 GLY CA 1 1 23 6776 1 1 12 GLY H H -7.359 4.076 -4.191 1.00 . A A . 12 GLY H 1 1 23 6777 1 1 12 GLY HA2 H -8.198 6.627 -3.229 1.00 . A A . 12 GLY HA2 1 1 23 6778 1 1 12 GLY HA3 H -9.529 5.769 -3.991 1.00 . A A . 12 GLY HA3 1 1 23 6779 1 1 12 GLY N N -7.649 4.994 -4.377 1.00 . A A . 12 GLY N 1 1 23 6780 1 1 12 GLY O O -8.821 5.436 -1.113 1.00 . A A . 12 GLY O 1 1 23 6781 1 1 13 GLY C C -10.631 2.148 -1.143 1.00 . A A . 13 GLY C 1 1 23 6782 1 1 13 GLY CA C -9.226 2.718 -1.179 1.00 . A A . 13 GLY CA 1 1 23 6783 1 1 13 GLY H H -8.980 3.160 -3.235 1.00 . A A . 13 GLY H 1 1 23 6784 1 1 13 GLY HA2 H -8.519 1.902 -1.194 1.00 . A A . 13 GLY HA2 1 1 23 6785 1 1 13 GLY HA3 H -9.066 3.304 -0.287 1.00 . A A . 13 GLY HA3 1 1 23 6786 1 1 13 GLY N N -8.998 3.558 -2.340 1.00 . A A . 13 GLY N 1 1 23 6787 1 1 13 GLY O O -11.483 2.625 -0.393 1.00 . A A . 13 GLY O 1 1 23 6788 1 1 14 VAL C C -12.444 -0.353 -0.774 1.00 . A A . 14 VAL C 1 1 23 6789 1 1 14 VAL CA C -12.186 0.492 -2.016 1.00 . A A . 14 VAL CA 1 1 23 6790 1 1 14 VAL CB C -12.324 -0.398 -3.266 1.00 . A A . 14 VAL CB 1 1 23 6791 1 1 14 VAL CG1 C -13.747 -0.918 -3.398 1.00 . A A . 14 VAL CG1 1 1 23 6792 1 1 14 VAL CG2 C -11.911 0.369 -4.514 1.00 . A A . 14 VAL CG2 1 1 23 6793 1 1 14 VAL H H -10.155 0.791 -2.532 1.00 . A A . 14 VAL H 1 1 23 6794 1 1 14 VAL HA H -12.932 1.271 -2.071 1.00 . A A . 14 VAL HA 1 1 23 6795 1 1 14 VAL HB H -11.663 -1.245 -3.155 1.00 . A A . 14 VAL HB 1 1 23 6796 1 1 14 VAL HG11 H -13.831 -1.513 -4.296 1.00 . A A . 14 VAL HG11 1 1 23 6797 1 1 14 VAL HG12 H -13.989 -1.526 -2.538 1.00 . A A . 14 VAL HG12 1 1 23 6798 1 1 14 VAL HG13 H -14.431 -0.084 -3.454 1.00 . A A . 14 VAL HG13 1 1 23 6799 1 1 14 VAL HG21 H -12.044 1.428 -4.346 1.00 . A A . 14 VAL HG21 1 1 23 6800 1 1 14 VAL HG22 H -10.873 0.167 -4.733 1.00 . A A . 14 VAL HG22 1 1 23 6801 1 1 14 VAL HG23 H -12.522 0.057 -5.348 1.00 . A A . 14 VAL HG23 1 1 23 6802 1 1 14 VAL N N -10.875 1.126 -1.957 1.00 . A A . 14 VAL N 1 1 23 6803 1 1 14 VAL O O -13.488 -0.233 -0.134 1.00 . A A . 14 VAL O 1 1 23 6804 1 1 15 GLY C C -11.761 -3.527 0.361 1.00 . A A . 15 GLY C 1 1 23 6805 1 1 15 GLY CA C -11.626 -2.063 0.728 1.00 . A A . 15 GLY CA 1 1 23 6806 1 1 15 GLY H H -10.673 -1.263 -0.985 1.00 . A A . 15 GLY H 1 1 23 6807 1 1 15 GLY HA2 H -10.759 -1.939 1.359 1.00 . A A . 15 GLY HA2 1 1 23 6808 1 1 15 GLY HA3 H -12.505 -1.759 1.277 1.00 . A A . 15 GLY HA3 1 1 23 6809 1 1 15 GLY N N -11.484 -1.210 -0.438 1.00 . A A . 15 GLY N 1 1 23 6810 1 1 15 GLY O O -12.251 -4.331 1.155 1.00 . A A . 15 GLY O 1 1 23 6811 1 1 16 LYS C C -10.089 -5.986 -1.068 1.00 . A A . 16 LYS C 1 1 23 6812 1 1 16 LYS CA C -11.403 -5.254 -1.317 1.00 . A A . 16 LYS CA 1 1 23 6813 1 1 16 LYS CB C -11.741 -5.286 -2.809 1.00 . A A . 16 LYS CB 1 1 23 6814 1 1 16 LYS CD C -14.155 -4.731 -2.389 1.00 . A A . 16 LYS CD 1 1 23 6815 1 1 16 LYS CE C -14.604 -6.162 -2.641 1.00 . A A . 16 LYS CE 1 1 23 6816 1 1 16 LYS CG C -12.908 -4.390 -3.188 1.00 . A A . 16 LYS CG 1 1 23 6817 1 1 16 LYS H H -10.947 -3.190 -1.433 1.00 . A A . 16 LYS H 1 1 23 6818 1 1 16 LYS HA H -12.188 -5.750 -0.768 1.00 . A A . 16 LYS HA 1 1 23 6819 1 1 16 LYS HB2 H -10.874 -4.968 -3.370 1.00 . A A . 16 LYS HB2 1 1 23 6820 1 1 16 LYS HB3 H -11.988 -6.300 -3.088 1.00 . A A . 16 LYS HB3 1 1 23 6821 1 1 16 LYS HD2 H -13.942 -4.613 -1.337 1.00 . A A . 16 LYS HD2 1 1 23 6822 1 1 16 LYS HD3 H -14.951 -4.058 -2.675 1.00 . A A . 16 LYS HD3 1 1 23 6823 1 1 16 LYS HE2 H -14.617 -6.340 -3.706 1.00 . A A . 16 LYS HE2 1 1 23 6824 1 1 16 LYS HE3 H -13.900 -6.834 -2.173 1.00 . A A . 16 LYS HE3 1 1 23 6825 1 1 16 LYS HG2 H -12.639 -3.362 -2.993 1.00 . A A . 16 LYS HG2 1 1 23 6826 1 1 16 LYS HG3 H -13.120 -4.515 -4.240 1.00 . A A . 16 LYS HG3 1 1 23 6827 1 1 16 LYS HZ1 H -16.277 -5.614 -1.517 1.00 . A A . 16 LYS HZ1 1 1 23 6828 1 1 16 LYS HZ2 H -15.947 -7.273 -1.490 1.00 . A A . 16 LYS HZ2 1 1 23 6829 1 1 16 LYS HZ3 H -16.640 -6.571 -2.864 1.00 . A A . 16 LYS HZ3 1 1 23 6830 1 1 16 LYS N N -11.328 -3.876 -0.845 1.00 . A A . 16 LYS N 1 1 23 6831 1 1 16 LYS NZ N -15.962 -6.423 -2.090 1.00 . A A . 16 LYS NZ 1 1 23 6832 1 1 16 LYS O O -10.073 -7.071 -0.486 1.00 . A A . 16 LYS O 1 1 23 6833 1 1 17 SER C C -7.356 -6.187 0.143 1.00 . A A . 17 SER C 1 1 23 6834 1 1 17 SER CA C -7.669 -5.983 -1.336 1.00 . A A . 17 SER CA 1 1 23 6835 1 1 17 SER CB C -6.598 -5.101 -1.979 1.00 . A A . 17 SER CB 1 1 23 6836 1 1 17 SER H H -9.066 -4.522 -1.966 1.00 . A A . 17 SER H 1 1 23 6837 1 1 17 SER HA H -7.674 -6.945 -1.827 1.00 . A A . 17 SER HA 1 1 23 6838 1 1 17 SER HB2 H -7.045 -4.509 -2.763 1.00 . A A . 17 SER HB2 1 1 23 6839 1 1 17 SER HB3 H -6.177 -4.447 -1.229 1.00 . A A . 17 SER HB3 1 1 23 6840 1 1 17 SER HG H -5.639 -5.891 -3.494 1.00 . A A . 17 SER HG 1 1 23 6841 1 1 17 SER N N -8.988 -5.386 -1.510 1.00 . A A . 17 SER N 1 1 23 6842 1 1 17 SER O O -6.520 -7.017 0.504 1.00 . A A . 17 SER O 1 1 23 6843 1 1 17 SER OG O -5.558 -5.886 -2.537 1.00 . A A . 17 SER OG 1 1 23 6844 1 1 18 HIS C C -8.014 -6.956 2.917 1.00 . A A . 18 HIS C 1 1 23 6845 1 1 18 HIS CA C -7.827 -5.520 2.436 1.00 . A A . 18 HIS CA 1 1 23 6846 1 1 18 HIS CB C -8.794 -4.593 3.174 1.00 . A A . 18 HIS CB 1 1 23 6847 1 1 18 HIS CD2 C -8.481 -2.180 4.072 1.00 . A A . 18 HIS CD2 1 1 23 6848 1 1 18 HIS CE1 C -7.567 -1.290 2.289 1.00 . A A . 18 HIS CE1 1 1 23 6849 1 1 18 HIS CG C -8.389 -3.151 3.134 1.00 . A A . 18 HIS CG 1 1 23 6850 1 1 18 HIS H H -8.685 -4.781 0.647 1.00 . A A . 18 HIS H 1 1 23 6851 1 1 18 HIS HA H -6.815 -5.212 2.649 1.00 . A A . 18 HIS HA 1 1 23 6852 1 1 18 HIS HB2 H -9.773 -4.674 2.725 1.00 . A A . 18 HIS HB2 1 1 23 6853 1 1 18 HIS HB3 H -8.852 -4.894 4.210 1.00 . A A . 18 HIS HB3 1 1 23 6854 1 1 18 HIS HD1 H -7.614 -3.008 1.180 1.00 . A A . 18 HIS HD1 1 1 23 6855 1 1 18 HIS HD2 H -8.885 -2.287 5.069 1.00 . A A . 18 HIS HD2 1 1 23 6856 1 1 18 HIS HE1 H -7.119 -0.581 1.610 1.00 . A A . 18 HIS HE1 1 1 23 6857 1 1 18 HIS N N -8.032 -5.424 0.996 1.00 . A A . 18 HIS N 1 1 23 6858 1 1 18 HIS ND1 N -7.814 -2.561 2.029 1.00 . A A . 18 HIS ND1 1 1 23 6859 1 1 18 HIS NE2 N -7.963 -1.033 3.523 1.00 . A A . 18 HIS NE2 1 1 23 6860 1 1 18 HIS O O -7.440 -7.363 3.927 1.00 . A A . 18 HIS O 1 1 23 6861 1 1 19 VAL C C -7.786 -9.878 2.749 1.00 . A A . 19 VAL C 1 1 23 6862 1 1 19 VAL CA C -9.086 -9.109 2.539 1.00 . A A . 19 VAL CA 1 1 23 6863 1 1 19 VAL CB C -9.918 -9.815 1.452 1.00 . A A . 19 VAL CB 1 1 23 6864 1 1 19 VAL CG1 C -10.154 -11.271 1.822 1.00 . A A . 19 VAL CG1 1 1 23 6865 1 1 19 VAL CG2 C -11.238 -9.090 1.237 1.00 . A A . 19 VAL CG2 1 1 23 6866 1 1 19 VAL H H -9.252 -7.337 1.394 1.00 . A A . 19 VAL H 1 1 23 6867 1 1 19 VAL HA H -9.652 -9.119 3.460 1.00 . A A . 19 VAL HA 1 1 23 6868 1 1 19 VAL HB H -9.361 -9.788 0.527 1.00 . A A . 19 VAL HB 1 1 23 6869 1 1 19 VAL HG11 H -11.125 -11.580 1.464 1.00 . A A . 19 VAL HG11 1 1 23 6870 1 1 19 VAL HG12 H -9.390 -11.886 1.370 1.00 . A A . 19 VAL HG12 1 1 23 6871 1 1 19 VAL HG13 H -10.116 -11.380 2.896 1.00 . A A . 19 VAL HG13 1 1 23 6872 1 1 19 VAL HG21 H -11.361 -8.869 0.187 1.00 . A A . 19 VAL HG21 1 1 23 6873 1 1 19 VAL HG22 H -12.050 -9.717 1.571 1.00 . A A . 19 VAL HG22 1 1 23 6874 1 1 19 VAL HG23 H -11.239 -8.169 1.801 1.00 . A A . 19 VAL HG23 1 1 23 6875 1 1 19 VAL N N -8.823 -7.718 2.188 1.00 . A A . 19 VAL N 1 1 23 6876 1 1 19 VAL O O -7.732 -10.820 3.539 1.00 . A A . 19 VAL O 1 1 23 6877 1 1 20 TRP C C -4.667 -9.591 3.348 1.00 . A A . 20 TRP C 1 1 23 6878 1 1 20 TRP CA C -5.441 -10.120 2.146 1.00 . A A . 20 TRP CA 1 1 23 6879 1 1 20 TRP CB C -4.632 -9.904 0.867 1.00 . A A . 20 TRP CB 1 1 23 6880 1 1 20 TRP CD1 C -6.182 -9.773 -1.170 1.00 . A A . 20 TRP CD1 1 1 23 6881 1 1 20 TRP CD2 C -5.161 -11.750 -0.915 1.00 . A A . 20 TRP CD2 1 1 23 6882 1 1 20 TRP CE2 C -5.977 -11.810 -2.062 1.00 . A A . 20 TRP CE2 1 1 23 6883 1 1 20 TRP CE3 C -4.419 -12.879 -0.557 1.00 . A A . 20 TRP CE3 1 1 23 6884 1 1 20 TRP CG C -5.306 -10.438 -0.360 1.00 . A A . 20 TRP CG 1 1 23 6885 1 1 20 TRP CH2 C -5.334 -14.045 -2.475 1.00 . A A . 20 TRP CH2 1 1 23 6886 1 1 20 TRP CZ2 C -6.071 -12.954 -2.849 1.00 . A A . 20 TRP CZ2 1 1 23 6887 1 1 20 TRP CZ3 C -4.514 -14.014 -1.339 1.00 . A A . 20 TRP CZ3 1 1 23 6888 1 1 20 TRP H H -6.848 -8.711 1.424 1.00 . A A . 20 TRP H 1 1 23 6889 1 1 20 TRP HA H -5.611 -11.178 2.280 1.00 . A A . 20 TRP HA 1 1 23 6890 1 1 20 TRP HB2 H -4.470 -8.846 0.725 1.00 . A A . 20 TRP HB2 1 1 23 6891 1 1 20 TRP HB3 H -3.677 -10.399 0.966 1.00 . A A . 20 TRP HB3 1 1 23 6892 1 1 20 TRP HD1 H -6.500 -8.753 -1.013 1.00 . A A . 20 TRP HD1 1 1 23 6893 1 1 20 TRP HE1 H -7.217 -10.343 -2.906 1.00 . A A . 20 TRP HE1 1 1 23 6894 1 1 20 TRP HE3 H -3.781 -12.874 0.314 1.00 . A A . 20 TRP HE3 1 1 23 6895 1 1 20 TRP HH2 H -5.378 -14.953 -3.056 1.00 . A A . 20 TRP HH2 1 1 23 6896 1 1 20 TRP HZ2 H -6.699 -12.994 -3.727 1.00 . A A . 20 TRP HZ2 1 1 23 6897 1 1 20 TRP HZ3 H -3.948 -14.896 -1.078 1.00 . A A . 20 TRP HZ3 1 1 23 6898 1 1 20 TRP N N -6.742 -9.469 2.038 1.00 . A A . 20 TRP N 1 1 23 6899 1 1 20 TRP NE1 N -6.590 -10.592 -2.195 1.00 . A A . 20 TRP NE1 1 1 23 6900 1 1 20 TRP O O -5.129 -8.692 4.051 1.00 . A A . 20 TRP O 1 1 24 6901 1 1 1 MET C C 3.587 -0.854 -0.650 1.00 . A A . 1 MET C 1 1 24 6902 1 1 1 MET CA C 2.833 0.381 -1.135 1.00 . A A . 1 MET CA 1 1 24 6903 1 1 1 MET CB C 3.085 1.553 -0.185 1.00 . A A . 1 MET CB 1 1 24 6904 1 1 1 MET CE C 3.783 4.877 -0.438 1.00 . A A . 1 MET CE 1 1 24 6905 1 1 1 MET CG C 4.454 2.189 -0.355 1.00 . A A . 1 MET CG 1 1 24 6906 1 1 1 MET H1 H 0.780 0.614 -0.674 1.00 . A A . 1 MET H1 1 1 24 6907 1 1 1 MET HA H 3.191 0.643 -2.119 1.00 . A A . 1 MET HA 1 1 24 6908 1 1 1 MET HB2 H 2.335 2.310 -0.360 1.00 . A A . 1 MET HB2 1 1 24 6909 1 1 1 MET HB3 H 2.999 1.201 0.832 1.00 . A A . 1 MET HB3 1 1 24 6910 1 1 1 MET HE1 H 3.544 4.462 0.531 1.00 . A A . 1 MET HE1 1 1 24 6911 1 1 1 MET HE2 H 4.523 5.656 -0.323 1.00 . A A . 1 MET HE2 1 1 24 6912 1 1 1 MET HE3 H 2.891 5.291 -0.883 1.00 . A A . 1 MET HE3 1 1 24 6913 1 1 1 MET HG2 H 4.798 2.535 0.609 1.00 . A A . 1 MET HG2 1 1 24 6914 1 1 1 MET HG3 H 5.138 1.444 -0.732 1.00 . A A . 1 MET HG3 1 1 24 6915 1 1 1 MET N N 1.404 0.109 -1.238 1.00 . A A . 1 MET N 1 1 24 6916 1 1 1 MET O O 4.809 -0.828 -0.499 1.00 . A A . 1 MET O 1 1 24 6917 1 1 1 MET SD S 4.434 3.586 -1.495 1.00 . A A . 1 MET SD 1 1 24 6918 1 1 2 THR C C 3.294 -4.287 -0.971 1.00 . A A . 2 THR C 1 1 24 6919 1 1 2 THR CA C 3.450 -3.177 0.062 1.00 . A A . 2 THR CA 1 1 24 6920 1 1 2 THR CB C 2.822 -3.636 1.391 1.00 . A A . 2 THR CB 1 1 24 6921 1 1 2 THR CG2 C 1.364 -4.022 1.196 1.00 . A A . 2 THR CG2 1 1 24 6922 1 1 2 THR H H 1.882 -1.892 -0.547 1.00 . A A . 2 THR H 1 1 24 6923 1 1 2 THR HA H 4.503 -2.998 0.228 1.00 . A A . 2 THR HA 1 1 24 6924 1 1 2 THR HB H 2.872 -2.819 2.097 1.00 . A A . 2 THR HB 1 1 24 6925 1 1 2 THR HG1 H 3.188 -4.996 2.773 1.00 . A A . 2 THR HG1 1 1 24 6926 1 1 2 THR HG21 H 0.932 -3.413 0.416 1.00 . A A . 2 THR HG21 1 1 24 6927 1 1 2 THR HG22 H 0.823 -3.864 2.117 1.00 . A A . 2 THR HG22 1 1 24 6928 1 1 2 THR HG23 H 1.302 -5.063 0.916 1.00 . A A . 2 THR HG23 1 1 24 6929 1 1 2 THR N N 2.851 -1.934 -0.407 1.00 . A A . 2 THR N 1 1 24 6930 1 1 2 THR O O 4.068 -5.243 -0.989 1.00 . A A . 2 THR O 1 1 24 6931 1 1 2 THR OG1 O 3.550 -4.752 1.917 1.00 . A A . 2 THR OG1 1 1 24 6932 1 1 3 GLU C C 0.855 -4.726 -3.743 1.00 . A A . 3 GLU C 1 1 24 6933 1 1 3 GLU CA C 2.032 -5.145 -2.867 1.00 . A A . 3 GLU CA 1 1 24 6934 1 1 3 GLU CB C 1.753 -6.511 -2.237 1.00 . A A . 3 GLU CB 1 1 24 6935 1 1 3 GLU CD C 1.199 -8.938 -2.668 1.00 . A A . 3 GLU CD 1 1 24 6936 1 1 3 GLU CG C 1.170 -7.522 -3.210 1.00 . A A . 3 GLU CG 1 1 24 6937 1 1 3 GLU H H 1.706 -3.367 -1.766 1.00 . A A . 3 GLU H 1 1 24 6938 1 1 3 GLU HA H 2.916 -5.217 -3.483 1.00 . A A . 3 GLU HA 1 1 24 6939 1 1 3 GLU HB2 H 2.677 -6.910 -1.846 1.00 . A A . 3 GLU HB2 1 1 24 6940 1 1 3 GLU HB3 H 1.054 -6.383 -1.424 1.00 . A A . 3 GLU HB3 1 1 24 6941 1 1 3 GLU HG2 H 0.144 -7.254 -3.417 1.00 . A A . 3 GLU HG2 1 1 24 6942 1 1 3 GLU HG3 H 1.740 -7.491 -4.127 1.00 . A A . 3 GLU HG3 1 1 24 6943 1 1 3 GLU N N 2.289 -4.152 -1.830 1.00 . A A . 3 GLU N 1 1 24 6944 1 1 3 GLU O O 1.019 -4.453 -4.932 1.00 . A A . 3 GLU O 1 1 24 6945 1 1 3 GLU OE1 O 0.903 -9.121 -1.469 1.00 . A A . 3 GLU OE1 1 1 24 6946 1 1 3 GLU OE2 O 1.519 -9.863 -3.444 1.00 . A A . 3 GLU OE2 1 1 24 6947 1 1 4 TYR C C -2.049 -2.939 -3.399 1.00 . A A . 4 TYR C 1 1 24 6948 1 1 4 TYR CA C -1.536 -4.296 -3.871 1.00 . A A . 4 TYR CA 1 1 24 6949 1 1 4 TYR CB C -2.624 -5.356 -3.690 1.00 . A A . 4 TYR CB 1 1 24 6950 1 1 4 TYR CD1 C -3.102 -5.129 -1.221 1.00 . A A . 4 TYR CD1 1 1 24 6951 1 1 4 TYR CD2 C -2.351 -7.240 -2.032 1.00 . A A . 4 TYR CD2 1 1 24 6952 1 1 4 TYR CE1 C -3.166 -5.638 0.062 1.00 . A A . 4 TYR CE1 1 1 24 6953 1 1 4 TYR CE2 C -2.413 -7.759 -0.753 1.00 . A A . 4 TYR CE2 1 1 24 6954 1 1 4 TYR CG C -2.693 -5.918 -2.288 1.00 . A A . 4 TYR CG 1 1 24 6955 1 1 4 TYR CZ C -2.821 -6.954 0.290 1.00 . A A . 4 TYR CZ 1 1 24 6956 1 1 4 TYR H H -0.398 -4.907 -2.196 1.00 . A A . 4 TYR H 1 1 24 6957 1 1 4 TYR HA H -1.285 -4.228 -4.920 1.00 . A A . 4 TYR HA 1 1 24 6958 1 1 4 TYR HB2 H -3.584 -4.920 -3.919 1.00 . A A . 4 TYR HB2 1 1 24 6959 1 1 4 TYR HB3 H -2.435 -6.175 -4.368 1.00 . A A . 4 TYR HB3 1 1 24 6960 1 1 4 TYR HD1 H -3.372 -4.099 -1.404 1.00 . A A . 4 TYR HD1 1 1 24 6961 1 1 4 TYR HD2 H -2.032 -7.868 -2.851 1.00 . A A . 4 TYR HD2 1 1 24 6962 1 1 4 TYR HE1 H -3.486 -5.008 0.878 1.00 . A A . 4 TYR HE1 1 1 24 6963 1 1 4 TYR HE2 H -2.143 -8.789 -0.573 1.00 . A A . 4 TYR HE2 1 1 24 6964 1 1 4 TYR HH H -2.400 -8.294 1.603 1.00 . A A . 4 TYR HH 1 1 24 6965 1 1 4 TYR N N -0.331 -4.678 -3.146 1.00 . A A . 4 TYR N 1 1 24 6966 1 1 4 TYR O O -2.779 -2.253 -4.115 1.00 . A A . 4 TYR O 1 1 24 6967 1 1 4 TYR OH O -2.885 -7.466 1.566 1.00 . A A . 4 TYR OH 1 1 24 6968 1 1 5 LYS C C -1.571 -0.116 -2.459 1.00 . A A . 5 LYS C 1 1 24 6969 1 1 5 LYS CA C -2.078 -1.281 -1.616 1.00 . A A . 5 LYS CA 1 1 24 6970 1 1 5 LYS CB C -1.562 -1.148 -0.181 1.00 . A A . 5 LYS CB 1 1 24 6971 1 1 5 LYS CD C -1.533 -2.487 1.944 1.00 . A A . 5 LYS CD 1 1 24 6972 1 1 5 LYS CE C -2.279 -2.529 3.269 1.00 . A A . 5 LYS CE 1 1 24 6973 1 1 5 LYS CG C -2.397 -1.905 0.838 1.00 . A A . 5 LYS CG 1 1 24 6974 1 1 5 LYS H H -1.079 -3.147 -1.663 1.00 . A A . 5 LYS H 1 1 24 6975 1 1 5 LYS HA H -3.157 -1.260 -1.605 1.00 . A A . 5 LYS HA 1 1 24 6976 1 1 5 LYS HB2 H -0.551 -1.525 -0.138 1.00 . A A . 5 LYS HB2 1 1 24 6977 1 1 5 LYS HB3 H -1.560 -0.103 0.092 1.00 . A A . 5 LYS HB3 1 1 24 6978 1 1 5 LYS HD2 H -1.246 -3.492 1.674 1.00 . A A . 5 LYS HD2 1 1 24 6979 1 1 5 LYS HD3 H -0.649 -1.876 2.058 1.00 . A A . 5 LYS HD3 1 1 24 6980 1 1 5 LYS HE2 H -2.804 -1.595 3.402 1.00 . A A . 5 LYS HE2 1 1 24 6981 1 1 5 LYS HE3 H -2.990 -3.341 3.241 1.00 . A A . 5 LYS HE3 1 1 24 6982 1 1 5 LYS HG2 H -3.116 -1.228 1.275 1.00 . A A . 5 LYS HG2 1 1 24 6983 1 1 5 LYS HG3 H -2.916 -2.710 0.337 1.00 . A A . 5 LYS HG3 1 1 24 6984 1 1 5 LYS HZ1 H -1.464 -3.695 4.799 1.00 . A A . 5 LYS HZ1 1 1 24 6985 1 1 5 LYS HZ2 H -1.566 -2.048 5.173 1.00 . A A . 5 LYS HZ2 1 1 24 6986 1 1 5 LYS HZ3 H -0.370 -2.602 4.114 1.00 . A A . 5 LYS HZ3 1 1 24 6987 1 1 5 LYS N N -1.661 -2.557 -2.187 1.00 . A A . 5 LYS N 1 1 24 6988 1 1 5 LYS NZ N -1.355 -2.733 4.419 1.00 . A A . 5 LYS NZ 1 1 24 6989 1 1 5 LYS O O -2.067 1.006 -2.349 1.00 . A A . 5 LYS O 1 1 24 6990 1 1 6 LEU C C -0.870 0.847 -5.408 1.00 . A A . 6 LEU C 1 1 24 6991 1 1 6 LEU CA C -0.008 0.637 -4.167 1.00 . A A . 6 LEU CA 1 1 24 6992 1 1 6 LEU CB C 1.413 0.250 -4.579 1.00 . A A . 6 LEU CB 1 1 24 6993 1 1 6 LEU CD1 C 1.724 -0.789 -6.839 1.00 . A A . 6 LEU CD1 1 1 24 6994 1 1 6 LEU CD2 C 2.727 -1.872 -4.820 1.00 . A A . 6 LEU CD2 1 1 24 6995 1 1 6 LEU CG C 1.554 -1.062 -5.352 1.00 . A A . 6 LEU CG 1 1 24 6996 1 1 6 LEU H H -0.228 -1.301 -3.347 1.00 . A A . 6 LEU H 1 1 24 6997 1 1 6 LEU HA H 0.027 1.560 -3.608 1.00 . A A . 6 LEU HA 1 1 24 6998 1 1 6 LEU HB2 H 1.806 1.042 -5.197 1.00 . A A . 6 LEU HB2 1 1 24 6999 1 1 6 LEU HB3 H 2.007 0.169 -3.679 1.00 . A A . 6 LEU HB3 1 1 24 7000 1 1 6 LEU HD11 H 1.026 -0.024 -7.146 1.00 . A A . 6 LEU HD11 1 1 24 7001 1 1 6 LEU HD12 H 1.533 -1.695 -7.395 1.00 . A A . 6 LEU HD12 1 1 24 7002 1 1 6 LEU HD13 H 2.733 -0.455 -7.030 1.00 . A A . 6 LEU HD13 1 1 24 7003 1 1 6 LEU HD21 H 2.432 -2.378 -3.912 1.00 . A A . 6 LEU HD21 1 1 24 7004 1 1 6 LEU HD22 H 3.555 -1.211 -4.611 1.00 . A A . 6 LEU HD22 1 1 24 7005 1 1 6 LEU HD23 H 3.025 -2.601 -5.559 1.00 . A A . 6 LEU HD23 1 1 24 7006 1 1 6 LEU HG H 0.655 -1.648 -5.222 1.00 . A A . 6 LEU HG 1 1 24 7007 1 1 6 LEU N N -0.582 -0.389 -3.303 1.00 . A A . 6 LEU N 1 1 24 7008 1 1 6 LEU O O -0.728 1.847 -6.114 1.00 . A A . 6 LEU O 1 1 24 7009 1 1 7 VAL C C -4.104 0.149 -6.389 1.00 . A A . 7 VAL C 1 1 24 7010 1 1 7 VAL CA C -2.652 -0.018 -6.823 1.00 . A A . 7 VAL CA 1 1 24 7011 1 1 7 VAL CB C -2.534 -1.270 -7.712 1.00 . A A . 7 VAL CB 1 1 24 7012 1 1 7 VAL CG1 C -3.489 -1.178 -8.892 1.00 . A A . 7 VAL CG1 1 1 24 7013 1 1 7 VAL CG2 C -1.101 -1.452 -8.188 1.00 . A A . 7 VAL CG2 1 1 24 7014 1 1 7 VAL H H -1.830 -0.873 -5.070 1.00 . A A . 7 VAL H 1 1 24 7015 1 1 7 VAL HA H -2.360 0.842 -7.408 1.00 . A A . 7 VAL HA 1 1 24 7016 1 1 7 VAL HB H -2.807 -2.132 -7.122 1.00 . A A . 7 VAL HB 1 1 24 7017 1 1 7 VAL HG11 H -2.959 -1.417 -9.803 1.00 . A A . 7 VAL HG11 1 1 24 7018 1 1 7 VAL HG12 H -4.302 -1.877 -8.753 1.00 . A A . 7 VAL HG12 1 1 24 7019 1 1 7 VAL HG13 H -3.884 -0.175 -8.959 1.00 . A A . 7 VAL HG13 1 1 24 7020 1 1 7 VAL HG21 H -0.561 -2.065 -7.482 1.00 . A A . 7 VAL HG21 1 1 24 7021 1 1 7 VAL HG22 H -1.102 -1.932 -9.155 1.00 . A A . 7 VAL HG22 1 1 24 7022 1 1 7 VAL HG23 H -0.622 -0.486 -8.266 1.00 . A A . 7 VAL HG23 1 1 24 7023 1 1 7 VAL N N -1.765 -0.100 -5.669 1.00 . A A . 7 VAL N 1 1 24 7024 1 1 7 VAL O O -4.775 1.103 -6.783 1.00 . A A . 7 VAL O 1 1 24 7025 1 1 8 VAL C C -6.192 0.493 -4.220 1.00 . A A . 8 VAL C 1 1 24 7026 1 1 8 VAL CA C -5.956 -0.741 -5.084 1.00 . A A . 8 VAL CA 1 1 24 7027 1 1 8 VAL CB C -6.301 -2.000 -4.267 1.00 . A A . 8 VAL CB 1 1 24 7028 1 1 8 VAL CG1 C -7.726 -1.921 -3.740 1.00 . A A . 8 VAL CG1 1 1 24 7029 1 1 8 VAL CG2 C -6.104 -3.252 -5.108 1.00 . A A . 8 VAL CG2 1 1 24 7030 1 1 8 VAL H H -4.000 -1.521 -5.294 1.00 . A A . 8 VAL H 1 1 24 7031 1 1 8 VAL HA H -6.615 -0.701 -5.939 1.00 . A A . 8 VAL HA 1 1 24 7032 1 1 8 VAL HB H -5.631 -2.051 -3.421 1.00 . A A . 8 VAL HB 1 1 24 7033 1 1 8 VAL HG11 H -8.086 -2.917 -3.527 1.00 . A A . 8 VAL HG11 1 1 24 7034 1 1 8 VAL HG12 H -7.744 -1.329 -2.836 1.00 . A A . 8 VAL HG12 1 1 24 7035 1 1 8 VAL HG13 H -8.359 -1.461 -4.484 1.00 . A A . 8 VAL HG13 1 1 24 7036 1 1 8 VAL HG21 H -6.111 -2.987 -6.155 1.00 . A A . 8 VAL HG21 1 1 24 7037 1 1 8 VAL HG22 H -5.157 -3.707 -4.858 1.00 . A A . 8 VAL HG22 1 1 24 7038 1 1 8 VAL HG23 H -6.903 -3.950 -4.909 1.00 . A A . 8 VAL HG23 1 1 24 7039 1 1 8 VAL N N -4.583 -0.785 -5.574 1.00 . A A . 8 VAL N 1 1 24 7040 1 1 8 VAL O O -7.090 1.290 -4.490 1.00 . A A . 8 VAL O 1 1 24 7041 1 1 9 VAL C C -4.770 3.003 -2.830 1.00 . A A . 9 VAL C 1 1 24 7042 1 1 9 VAL CA C -5.497 1.783 -2.276 1.00 . A A . 9 VAL CA 1 1 24 7043 1 1 9 VAL CB C -4.934 1.453 -0.881 1.00 . A A . 9 VAL CB 1 1 24 7044 1 1 9 VAL CG1 C -5.252 2.569 0.102 1.00 . A A . 9 VAL CG1 1 1 24 7045 1 1 9 VAL CG2 C -5.483 0.123 -0.386 1.00 . A A . 9 VAL CG2 1 1 24 7046 1 1 9 VAL H H -4.682 -0.025 -3.016 1.00 . A A . 9 VAL H 1 1 24 7047 1 1 9 VAL HA H -6.547 2.018 -2.171 1.00 . A A . 9 VAL HA 1 1 24 7048 1 1 9 VAL HB H -3.860 1.368 -0.959 1.00 . A A . 9 VAL HB 1 1 24 7049 1 1 9 VAL HG11 H -4.758 3.477 -0.213 1.00 . A A . 9 VAL HG11 1 1 24 7050 1 1 9 VAL HG12 H -6.320 2.731 0.130 1.00 . A A . 9 VAL HG12 1 1 24 7051 1 1 9 VAL HG13 H -4.903 2.293 1.086 1.00 . A A . 9 VAL HG13 1 1 24 7052 1 1 9 VAL HG21 H -6.560 0.123 -0.474 1.00 . A A . 9 VAL HG21 1 1 24 7053 1 1 9 VAL HG22 H -5.072 -0.679 -0.980 1.00 . A A . 9 VAL HG22 1 1 24 7054 1 1 9 VAL HG23 H -5.207 -0.018 0.649 1.00 . A A . 9 VAL HG23 1 1 24 7055 1 1 9 VAL N N -5.379 0.645 -3.180 1.00 . A A . 9 VAL N 1 1 24 7056 1 1 9 VAL O O -5.127 4.141 -2.530 1.00 . A A . 9 VAL O 1 1 24 7057 1 1 10 GLY C C -3.818 4.700 -5.159 1.00 . A A . 10 GLY C 1 1 24 7058 1 1 10 GLY CA C -2.984 3.845 -4.226 1.00 . A A . 10 GLY CA 1 1 24 7059 1 1 10 GLY H H -3.507 1.828 -3.846 1.00 . A A . 10 GLY H 1 1 24 7060 1 1 10 GLY HA2 H -2.599 4.466 -3.432 1.00 . A A . 10 GLY HA2 1 1 24 7061 1 1 10 GLY HA3 H -2.155 3.431 -4.781 1.00 . A A . 10 GLY HA3 1 1 24 7062 1 1 10 GLY N N -3.746 2.756 -3.642 1.00 . A A . 10 GLY N 1 1 24 7063 1 1 10 GLY O O -3.454 5.836 -5.462 1.00 . A A . 10 GLY O 1 1 24 7064 1 1 11 ALA C C -6.904 5.627 -5.749 1.00 . A A . 11 ALA C 1 1 24 7065 1 1 11 ALA CA C -5.826 4.875 -6.522 1.00 . A A . 11 ALA CA 1 1 24 7066 1 1 11 ALA CB C -6.461 3.914 -7.517 1.00 . A A . 11 ALA CB 1 1 24 7067 1 1 11 ALA H H -5.175 3.244 -5.341 1.00 . A A . 11 ALA H 1 1 24 7068 1 1 11 ALA HA H -5.232 5.587 -7.076 1.00 . A A . 11 ALA HA 1 1 24 7069 1 1 11 ALA HB1 H -7.429 4.291 -7.812 1.00 . A A . 11 ALA HB1 1 1 24 7070 1 1 11 ALA HB2 H -5.827 3.827 -8.387 1.00 . A A . 11 ALA HB2 1 1 24 7071 1 1 11 ALA HB3 H -6.576 2.945 -7.057 1.00 . A A . 11 ALA HB3 1 1 24 7072 1 1 11 ALA N N -4.939 4.154 -5.618 1.00 . A A . 11 ALA N 1 1 24 7073 1 1 11 ALA O O -7.215 6.777 -6.057 1.00 . A A . 11 ALA O 1 1 24 7074 1 1 12 GLY C C -8.652 4.950 -2.576 1.00 . A A . 12 GLY C 1 1 24 7075 1 1 12 GLY CA C -8.511 5.591 -3.943 1.00 . A A . 12 GLY CA 1 1 24 7076 1 1 12 GLY H H -7.185 4.054 -4.544 1.00 . A A . 12 GLY H 1 1 24 7077 1 1 12 GLY HA2 H -8.274 6.637 -3.815 1.00 . A A . 12 GLY HA2 1 1 24 7078 1 1 12 GLY HA3 H -9.452 5.507 -4.466 1.00 . A A . 12 GLY HA3 1 1 24 7079 1 1 12 GLY N N -7.473 4.969 -4.743 1.00 . A A . 12 GLY N 1 1 24 7080 1 1 12 GLY O O -8.378 5.580 -1.556 1.00 . A A . 12 GLY O 1 1 24 7081 1 1 13 GLY C C -10.623 2.344 -1.178 1.00 . A A . 13 GLY C 1 1 24 7082 1 1 13 GLY CA C -9.255 2.987 -1.300 1.00 . A A . 13 GLY CA 1 1 24 7083 1 1 13 GLY H H -9.287 3.240 -3.402 1.00 . A A . 13 GLY H 1 1 24 7084 1 1 13 GLY HA2 H -8.500 2.219 -1.225 1.00 . A A . 13 GLY HA2 1 1 24 7085 1 1 13 GLY HA3 H -9.126 3.686 -0.487 1.00 . A A . 13 GLY HA3 1 1 24 7086 1 1 13 GLY N N -9.084 3.692 -2.556 1.00 . A A . 13 GLY N 1 1 24 7087 1 1 13 GLY O O -11.451 2.776 -0.376 1.00 . A A . 13 GLY O 1 1 24 7088 1 1 14 VAL C C -12.287 -0.225 -0.686 1.00 . A A . 14 VAL C 1 1 24 7089 1 1 14 VAL CA C -12.138 0.605 -1.956 1.00 . A A . 14 VAL CA 1 1 24 7090 1 1 14 VAL CB C -12.291 -0.318 -3.179 1.00 . A A . 14 VAL CB 1 1 24 7091 1 1 14 VAL CG1 C -13.655 -0.992 -3.173 1.00 . A A . 14 VAL CG1 1 1 24 7092 1 1 14 VAL CG2 C -12.080 0.465 -4.467 1.00 . A A . 14 VAL CG2 1 1 24 7093 1 1 14 VAL H H -10.162 1.011 -2.595 1.00 . A A . 14 VAL H 1 1 24 7094 1 1 14 VAL HA H -12.927 1.343 -1.987 1.00 . A A . 14 VAL HA 1 1 24 7095 1 1 14 VAL HB H -11.534 -1.086 -3.122 1.00 . A A . 14 VAL HB 1 1 24 7096 1 1 14 VAL HG11 H -13.850 -1.416 -4.147 1.00 . A A . 14 VAL HG11 1 1 24 7097 1 1 14 VAL HG12 H -13.666 -1.775 -2.429 1.00 . A A . 14 VAL HG12 1 1 24 7098 1 1 14 VAL HG13 H -14.416 -0.262 -2.940 1.00 . A A . 14 VAL HG13 1 1 24 7099 1 1 14 VAL HG21 H -12.803 0.149 -5.204 1.00 . A A . 14 VAL HG21 1 1 24 7100 1 1 14 VAL HG22 H -12.203 1.520 -4.270 1.00 . A A . 14 VAL HG22 1 1 24 7101 1 1 14 VAL HG23 H -11.082 0.283 -4.840 1.00 . A A . 14 VAL HG23 1 1 24 7102 1 1 14 VAL N N -10.861 1.309 -1.977 1.00 . A A . 14 VAL N 1 1 24 7103 1 1 14 VAL O O -13.225 -0.032 0.087 1.00 . A A . 14 VAL O 1 1 24 7104 1 1 15 GLY C C -11.644 -3.451 0.362 1.00 . A A . 15 GLY C 1 1 24 7105 1 1 15 GLY CA C -11.400 -1.994 0.703 1.00 . A A . 15 GLY CA 1 1 24 7106 1 1 15 GLY H H -10.630 -1.258 -1.127 1.00 . A A . 15 GLY H 1 1 24 7107 1 1 15 GLY HA2 H -10.461 -1.911 1.229 1.00 . A A . 15 GLY HA2 1 1 24 7108 1 1 15 GLY HA3 H -12.195 -1.650 1.348 1.00 . A A . 15 GLY HA3 1 1 24 7109 1 1 15 GLY N N -11.355 -1.149 -0.476 1.00 . A A . 15 GLY N 1 1 24 7110 1 1 15 GLY O O -12.254 -4.185 1.140 1.00 . A A . 15 GLY O 1 1 24 7111 1 1 16 LYS C C -10.069 -6.061 -1.002 1.00 . A A . 16 LYS C 1 1 24 7112 1 1 16 LYS CA C -11.337 -5.251 -1.248 1.00 . A A . 16 LYS CA 1 1 24 7113 1 1 16 LYS CB C -11.699 -5.289 -2.735 1.00 . A A . 16 LYS CB 1 1 24 7114 1 1 16 LYS CD C -14.082 -4.612 -2.321 1.00 . A A . 16 LYS CD 1 1 24 7115 1 1 16 LYS CE C -14.601 -6.018 -2.576 1.00 . A A . 16 LYS CE 1 1 24 7116 1 1 16 LYS CG C -12.816 -4.333 -3.114 1.00 . A A . 16 LYS CG 1 1 24 7117 1 1 16 LYS H H -10.690 -3.239 -1.382 1.00 . A A . 16 LYS H 1 1 24 7118 1 1 16 LYS HA H -12.144 -5.686 -0.679 1.00 . A A . 16 LYS HA 1 1 24 7119 1 1 16 LYS HB2 H -10.823 -5.034 -3.313 1.00 . A A . 16 LYS HB2 1 1 24 7120 1 1 16 LYS HB3 H -12.009 -6.292 -2.991 1.00 . A A . 16 LYS HB3 1 1 24 7121 1 1 16 LYS HD2 H -13.868 -4.505 -1.268 1.00 . A A . 16 LYS HD2 1 1 24 7122 1 1 16 LYS HD3 H -14.841 -3.899 -2.609 1.00 . A A . 16 LYS HD3 1 1 24 7123 1 1 16 LYS HE2 H -14.730 -6.153 -3.639 1.00 . A A . 16 LYS HE2 1 1 24 7124 1 1 16 LYS HE3 H -13.875 -6.728 -2.209 1.00 . A A . 16 LYS HE3 1 1 24 7125 1 1 16 LYS HG2 H -12.495 -3.321 -2.914 1.00 . A A . 16 LYS HG2 1 1 24 7126 1 1 16 LYS HG3 H -13.030 -4.443 -4.167 1.00 . A A . 16 LYS HG3 1 1 24 7127 1 1 16 LYS HZ1 H -16.601 -6.621 -2.578 1.00 . A A . 16 LYS HZ1 1 1 24 7128 1 1 16 LYS HZ2 H -16.262 -5.375 -1.485 1.00 . A A . 16 LYS HZ2 1 1 24 7129 1 1 16 LYS HZ3 H -15.785 -6.959 -1.135 1.00 . A A . 16 LYS HZ3 1 1 24 7130 1 1 16 LYS N N -11.168 -3.872 -0.804 1.00 . A A . 16 LYS N 1 1 24 7131 1 1 16 LYS NZ N -15.904 -6.261 -1.896 1.00 . A A . 16 LYS NZ 1 1 24 7132 1 1 16 LYS O O -10.114 -7.137 -0.406 1.00 . A A . 16 LYS O 1 1 24 7133 1 1 17 SER C C -7.337 -6.410 0.185 1.00 . A A . 17 SER C 1 1 24 7134 1 1 17 SER CA C -7.657 -6.213 -1.294 1.00 . A A . 17 SER CA 1 1 24 7135 1 1 17 SER CB C -6.540 -5.411 -1.966 1.00 . A A . 17 SER CB 1 1 24 7136 1 1 17 SER H H -8.966 -4.675 -1.930 1.00 . A A . 17 SER H 1 1 24 7137 1 1 17 SER HA H -7.728 -7.181 -1.767 1.00 . A A . 17 SER HA 1 1 24 7138 1 1 17 SER HB2 H -6.961 -4.804 -2.753 1.00 . A A . 17 SER HB2 1 1 24 7139 1 1 17 SER HB3 H -6.067 -4.774 -1.233 1.00 . A A . 17 SER HB3 1 1 24 7140 1 1 17 SER HG H -5.902 -6.660 -3.334 1.00 . A A . 17 SER HG 1 1 24 7141 1 1 17 SER N N -8.938 -5.536 -1.463 1.00 . A A . 17 SER N 1 1 24 7142 1 1 17 SER O O -6.525 -7.261 0.548 1.00 . A A . 17 SER O 1 1 24 7143 1 1 17 SER OG O -5.562 -6.270 -2.525 1.00 . A A . 17 SER OG 1 1 24 7144 1 1 18 HIS C C -7.967 -7.131 2.968 1.00 . A A . 18 HIS C 1 1 24 7145 1 1 18 HIS CA C -7.767 -5.702 2.474 1.00 . A A . 18 HIS CA 1 1 24 7146 1 1 18 HIS CB C -8.718 -4.758 3.210 1.00 . A A . 18 HIS CB 1 1 24 7147 1 1 18 HIS CD2 C -8.474 -2.282 3.944 1.00 . A A . 18 HIS CD2 1 1 24 7148 1 1 18 HIS CE1 C -7.571 -1.491 2.109 1.00 . A A . 18 HIS CE1 1 1 24 7149 1 1 18 HIS CG C -8.350 -3.312 3.075 1.00 . A A . 18 HIS CG 1 1 24 7150 1 1 18 HIS H H -8.616 -4.956 0.684 1.00 . A A . 18 HIS H 1 1 24 7151 1 1 18 HIS HA H -6.750 -5.404 2.676 1.00 . A A . 18 HIS HA 1 1 24 7152 1 1 18 HIS HB2 H -9.716 -4.884 2.817 1.00 . A A . 18 HIS HB2 1 1 24 7153 1 1 18 HIS HB3 H -8.717 -5.004 4.262 1.00 . A A . 18 HIS HB3 1 1 24 7154 1 1 18 HIS HD1 H -7.565 -3.282 1.120 1.00 . A A . 18 HIS HD1 1 1 24 7155 1 1 18 HIS HD2 H -8.883 -2.331 4.944 1.00 . A A . 18 HIS HD2 1 1 24 7156 1 1 18 HIS HE1 H -7.137 -0.818 1.386 1.00 . A A . 18 HIS HE1 1 1 24 7157 1 1 18 HIS N N -7.981 -5.615 1.034 1.00 . A A . 18 HIS N 1 1 24 7158 1 1 18 HIS ND1 N -7.782 -2.783 1.935 1.00 . A A . 18 HIS ND1 1 1 24 7159 1 1 18 HIS NE2 N -7.983 -1.161 3.320 1.00 . A A . 18 HIS NE2 1 1 24 7160 1 1 18 HIS O O -7.373 -7.543 3.965 1.00 . A A . 18 HIS O 1 1 24 7161 1 1 19 VAL C C -7.795 -10.057 2.816 1.00 . A A . 19 VAL C 1 1 24 7162 1 1 19 VAL CA C -9.086 -9.267 2.632 1.00 . A A . 19 VAL CA 1 1 24 7163 1 1 19 VAL CB C -9.955 -9.965 1.569 1.00 . A A . 19 VAL CB 1 1 24 7164 1 1 19 VAL CG1 C -10.203 -11.417 1.952 1.00 . A A . 19 VAL CG1 1 1 24 7165 1 1 19 VAL CG2 C -11.269 -9.222 1.383 1.00 . A A . 19 VAL CG2 1 1 24 7166 1 1 19 VAL H H -9.251 -7.499 1.480 1.00 . A A . 19 VAL H 1 1 24 7167 1 1 19 VAL HA H -9.630 -9.262 3.565 1.00 . A A . 19 VAL HA 1 1 24 7168 1 1 19 VAL HB H -9.421 -9.950 0.630 1.00 . A A . 19 VAL HB 1 1 24 7169 1 1 19 VAL HG11 H -11.067 -11.786 1.419 1.00 . A A . 19 VAL HG11 1 1 24 7170 1 1 19 VAL HG12 H -9.338 -12.010 1.694 1.00 . A A . 19 VAL HG12 1 1 24 7171 1 1 19 VAL HG13 H -10.382 -11.483 3.015 1.00 . A A . 19 VAL HG13 1 1 24 7172 1 1 19 VAL HG21 H -11.285 -8.353 2.024 1.00 . A A . 19 VAL HG21 1 1 24 7173 1 1 19 VAL HG22 H -11.364 -8.912 0.353 1.00 . A A . 19 VAL HG22 1 1 24 7174 1 1 19 VAL HG23 H -12.091 -9.874 1.640 1.00 . A A . 19 VAL HG23 1 1 24 7175 1 1 19 VAL N N -8.808 -7.883 2.265 1.00 . A A . 19 VAL N 1 1 24 7176 1 1 19 VAL O O -7.737 -10.993 3.613 1.00 . A A . 19 VAL O 1 1 24 7177 1 1 20 TRP C C -4.612 -9.740 3.264 1.00 . A A . 20 TRP C 1 1 24 7178 1 1 20 TRP CA C -5.470 -10.345 2.158 1.00 . A A . 20 TRP CA 1 1 24 7179 1 1 20 TRP CB C -4.738 -10.253 0.818 1.00 . A A . 20 TRP CB 1 1 24 7180 1 1 20 TRP CD1 C -6.399 -10.026 -1.120 1.00 . A A . 20 TRP CD1 1 1 24 7181 1 1 20 TRP CD2 C -5.588 -12.094 -0.840 1.00 . A A . 20 TRP CD2 1 1 24 7182 1 1 20 TRP CE2 C -6.482 -12.106 -1.929 1.00 . A A . 20 TRP CE2 1 1 24 7183 1 1 20 TRP CE3 C -4.953 -13.285 -0.478 1.00 . A A . 20 TRP CE3 1 1 24 7184 1 1 20 TRP CG C -5.549 -10.754 -0.338 1.00 . A A . 20 TRP CG 1 1 24 7185 1 1 20 TRP CH2 C -6.120 -14.414 -2.278 1.00 . A A . 20 TRP CH2 1 1 24 7186 1 1 20 TRP CZ2 C -6.756 -13.262 -2.655 1.00 . A A . 20 TRP CZ2 1 1 24 7187 1 1 20 TRP CZ3 C -5.226 -14.432 -1.200 1.00 . A A . 20 TRP CZ3 1 1 24 7188 1 1 20 TRP H H -6.870 -8.918 1.458 1.00 . A A . 20 TRP H 1 1 24 7189 1 1 20 TRP HA H -5.653 -11.384 2.388 1.00 . A A . 20 TRP HA 1 1 24 7190 1 1 20 TRP HB2 H -4.483 -9.222 0.624 1.00 . A A . 20 TRP HB2 1 1 24 7191 1 1 20 TRP HB3 H -3.832 -10.840 0.871 1.00 . A A . 20 TRP HB3 1 1 24 7192 1 1 20 TRP HD1 H -6.591 -8.972 -0.991 1.00 . A A . 20 TRP HD1 1 1 24 7193 1 1 20 TRP HE1 H -7.607 -10.542 -2.759 1.00 . A A . 20 TRP HE1 1 1 24 7194 1 1 20 TRP HE3 H -4.260 -13.320 0.350 1.00 . A A . 20 TRP HE3 1 1 24 7195 1 1 20 TRP HH2 H -6.303 -15.333 -2.813 1.00 . A A . 20 TRP HH2 1 1 24 7196 1 1 20 TRP HZ2 H -7.442 -13.264 -3.489 1.00 . A A . 20 TRP HZ2 1 1 24 7197 1 1 20 TRP HZ3 H -4.744 -15.362 -0.934 1.00 . A A . 20 TRP HZ3 1 1 24 7198 1 1 20 TRP N N -6.762 -9.672 2.076 1.00 . A A . 20 TRP N 1 1 24 7199 1 1 20 TRP NE1 N -6.964 -10.832 -2.078 1.00 . A A . 20 TRP NE1 1 1 24 7200 1 1 20 TRP O O -4.712 -8.550 3.561 1.00 . A A . 20 TRP O 1 1 25 7201 1 1 1 MET C C 3.703 -1.152 -1.429 1.00 . A A . 1 MET C 1 1 25 7202 1 1 1 MET CA C 2.955 0.164 -1.618 1.00 . A A . 1 MET CA 1 1 25 7203 1 1 1 MET CB C 3.409 1.178 -0.566 1.00 . A A . 1 MET CB 1 1 25 7204 1 1 1 MET CE C 5.978 2.760 -3.236 1.00 . A A . 1 MET CE 1 1 25 7205 1 1 1 MET CG C 4.694 1.902 -0.935 1.00 . A A . 1 MET CG 1 1 25 7206 1 1 1 MET H1 H 0.969 0.599 -1.031 1.00 . A A . 1 MET H1 1 1 25 7207 1 1 1 MET HA H 3.178 0.553 -2.600 1.00 . A A . 1 MET HA 1 1 25 7208 1 1 1 MET HB2 H 2.631 1.916 -0.435 1.00 . A A . 1 MET HB2 1 1 25 7209 1 1 1 MET HB3 H 3.567 0.663 0.369 1.00 . A A . 1 MET HB3 1 1 25 7210 1 1 1 MET HE1 H 5.795 2.007 -3.988 1.00 . A A . 1 MET HE1 1 1 25 7211 1 1 1 MET HE2 H 6.291 3.677 -3.713 1.00 . A A . 1 MET HE2 1 1 25 7212 1 1 1 MET HE3 H 6.755 2.420 -2.567 1.00 . A A . 1 MET HE3 1 1 25 7213 1 1 1 MET HG2 H 5.042 2.453 -0.073 1.00 . A A . 1 MET HG2 1 1 25 7214 1 1 1 MET HG3 H 5.437 1.168 -1.213 1.00 . A A . 1 MET HG3 1 1 25 7215 1 1 1 MET N N 1.514 -0.041 -1.535 1.00 . A A . 1 MET N 1 1 25 7216 1 1 1 MET O O 4.932 -1.195 -1.495 1.00 . A A . 1 MET O 1 1 25 7217 1 1 1 MET SD S 4.476 3.052 -2.306 1.00 . A A . 1 MET SD 1 1 25 7218 1 1 2 THR C C 3.060 -4.529 -2.046 1.00 . A A . 2 THR C 1 1 25 7219 1 1 2 THR CA C 3.546 -3.541 -0.992 1.00 . A A . 2 THR CA 1 1 25 7220 1 1 2 THR CB C 3.219 -4.098 0.406 1.00 . A A . 2 THR CB 1 1 25 7221 1 1 2 THR CG2 C 1.739 -4.431 0.523 1.00 . A A . 2 THR CG2 1 1 25 7222 1 1 2 THR H H 1.980 -2.126 -1.152 1.00 . A A . 2 THR H 1 1 25 7223 1 1 2 THR HA H 4.619 -3.440 -1.074 1.00 . A A . 2 THR HA 1 1 25 7224 1 1 2 THR HB H 3.462 -3.345 1.143 1.00 . A A . 2 THR HB 1 1 25 7225 1 1 2 THR HG1 H 4.832 -5.019 1.067 1.00 . A A . 2 THR HG1 1 1 25 7226 1 1 2 THR HG21 H 1.477 -4.545 1.564 1.00 . A A . 2 THR HG21 1 1 25 7227 1 1 2 THR HG22 H 1.535 -5.352 -0.003 1.00 . A A . 2 THR HG22 1 1 25 7228 1 1 2 THR HG23 H 1.155 -3.632 0.090 1.00 . A A . 2 THR HG23 1 1 25 7229 1 1 2 THR N N 2.954 -2.224 -1.192 1.00 . A A . 2 THR N 1 1 25 7230 1 1 2 THR O O 3.780 -5.454 -2.420 1.00 . A A . 2 THR O 1 1 25 7231 1 1 2 THR OG1 O 3.998 -5.271 0.662 1.00 . A A . 2 THR OG1 1 1 25 7232 1 1 3 GLU C C -0.031 -4.600 -4.098 1.00 . A A . 3 GLU C 1 1 25 7233 1 1 3 GLU CA C 1.255 -5.199 -3.534 1.00 . A A . 3 GLU CA 1 1 25 7234 1 1 3 GLU CB C 0.970 -6.582 -2.943 1.00 . A A . 3 GLU CB 1 1 25 7235 1 1 3 GLU CD C -0.106 -8.844 -3.263 1.00 . A A . 3 GLU CD 1 1 25 7236 1 1 3 GLU CG C 0.079 -7.446 -3.819 1.00 . A A . 3 GLU CG 1 1 25 7237 1 1 3 GLU H H 1.311 -3.569 -2.184 1.00 . A A . 3 GLU H 1 1 25 7238 1 1 3 GLU HA H 1.971 -5.301 -4.335 1.00 . A A . 3 GLU HA 1 1 25 7239 1 1 3 GLU HB2 H 1.908 -7.098 -2.799 1.00 . A A . 3 GLU HB2 1 1 25 7240 1 1 3 GLU HB3 H 0.487 -6.457 -1.986 1.00 . A A . 3 GLU HB3 1 1 25 7241 1 1 3 GLU HG2 H -0.890 -6.976 -3.899 1.00 . A A . 3 GLU HG2 1 1 25 7242 1 1 3 GLU HG3 H 0.523 -7.520 -4.801 1.00 . A A . 3 GLU HG3 1 1 25 7243 1 1 3 GLU N N 1.836 -4.325 -2.522 1.00 . A A . 3 GLU N 1 1 25 7244 1 1 3 GLU O O -0.099 -4.245 -5.275 1.00 . A A . 3 GLU O 1 1 25 7245 1 1 3 GLU OE1 O 0.001 -9.011 -2.029 1.00 . A A . 3 GLU OE1 1 1 25 7246 1 1 3 GLU OE2 O -0.357 -9.772 -4.060 1.00 . A A . 3 GLU OE2 1 1 25 7247 1 1 4 TYR C C -2.567 -2.574 -3.023 1.00 . A A . 4 TYR C 1 1 25 7248 1 1 4 TYR CA C -2.331 -3.939 -3.662 1.00 . A A . 4 TYR CA 1 1 25 7249 1 1 4 TYR CB C -3.466 -4.894 -3.285 1.00 . A A . 4 TYR CB 1 1 25 7250 1 1 4 TYR CD1 C -3.354 -4.782 -0.765 1.00 . A A . 4 TYR CD1 1 1 25 7251 1 1 4 TYR CD2 C -3.059 -6.903 -1.811 1.00 . A A . 4 TYR CD2 1 1 25 7252 1 1 4 TYR CE1 C -3.193 -5.366 0.477 1.00 . A A . 4 TYR CE1 1 1 25 7253 1 1 4 TYR CE2 C -2.899 -7.496 -0.574 1.00 . A A . 4 TYR CE2 1 1 25 7254 1 1 4 TYR CG C -3.290 -5.538 -1.928 1.00 . A A . 4 TYR CG 1 1 25 7255 1 1 4 TYR CZ C -2.966 -6.724 0.567 1.00 . A A . 4 TYR CZ 1 1 25 7256 1 1 4 TYR H H -0.931 -4.792 -2.324 1.00 . A A . 4 TYR H 1 1 25 7257 1 1 4 TYR HA H -2.313 -3.824 -4.736 1.00 . A A . 4 TYR HA 1 1 25 7258 1 1 4 TYR HB2 H -4.397 -4.349 -3.274 1.00 . A A . 4 TYR HB2 1 1 25 7259 1 1 4 TYR HB3 H -3.524 -5.682 -4.022 1.00 . A A . 4 TYR HB3 1 1 25 7260 1 1 4 TYR HD1 H -3.533 -3.719 -0.839 1.00 . A A . 4 TYR HD1 1 1 25 7261 1 1 4 TYR HD2 H -3.007 -7.506 -2.706 1.00 . A A . 4 TYR HD2 1 1 25 7262 1 1 4 TYR HE1 H -3.246 -4.762 1.370 1.00 . A A . 4 TYR HE1 1 1 25 7263 1 1 4 TYR HE2 H -2.720 -8.559 -0.502 1.00 . A A . 4 TYR HE2 1 1 25 7264 1 1 4 TYR HH H -1.912 -7.156 2.115 1.00 . A A . 4 TYR HH 1 1 25 7265 1 1 4 TYR N N -1.047 -4.492 -3.249 1.00 . A A . 4 TYR N 1 1 25 7266 1 1 4 TYR O O -3.365 -1.774 -3.515 1.00 . A A . 4 TYR O 1 1 25 7267 1 1 4 TYR OH O -2.806 -7.310 1.802 1.00 . A A . 4 TYR OH 1 1 25 7268 1 1 5 LYS C C -1.589 0.121 -2.112 1.00 . A A . 5 LYS C 1 1 25 7269 1 1 5 LYS CA C -1.997 -1.045 -1.217 1.00 . A A . 5 LYS CA 1 1 25 7270 1 1 5 LYS CB C -1.139 -1.053 0.050 1.00 . A A . 5 LYS CB 1 1 25 7271 1 1 5 LYS CD C -0.811 -2.435 2.121 1.00 . A A . 5 LYS CD 1 1 25 7272 1 1 5 LYS CE C 0.224 -1.476 2.687 1.00 . A A . 5 LYS CE 1 1 25 7273 1 1 5 LYS CG C -1.815 -1.714 1.238 1.00 . A A . 5 LYS CG 1 1 25 7274 1 1 5 LYS H H -1.247 -2.991 -1.581 1.00 . A A . 5 LYS H 1 1 25 7275 1 1 5 LYS HA H -3.033 -0.924 -0.939 1.00 . A A . 5 LYS HA 1 1 25 7276 1 1 5 LYS HB2 H -0.220 -1.583 -0.156 1.00 . A A . 5 LYS HB2 1 1 25 7277 1 1 5 LYS HB3 H -0.903 -0.033 0.317 1.00 . A A . 5 LYS HB3 1 1 25 7278 1 1 5 LYS HD2 H -1.336 -2.904 2.940 1.00 . A A . 5 LYS HD2 1 1 25 7279 1 1 5 LYS HD3 H -0.307 -3.191 1.535 1.00 . A A . 5 LYS HD3 1 1 25 7280 1 1 5 LYS HE2 H 0.777 -1.039 1.870 1.00 . A A . 5 LYS HE2 1 1 25 7281 1 1 5 LYS HE3 H -0.287 -0.696 3.232 1.00 . A A . 5 LYS HE3 1 1 25 7282 1 1 5 LYS HG2 H -2.314 -0.956 1.824 1.00 . A A . 5 LYS HG2 1 1 25 7283 1 1 5 LYS HG3 H -2.541 -2.428 0.876 1.00 . A A . 5 LYS HG3 1 1 25 7284 1 1 5 LYS HZ1 H 1.906 -2.659 3.054 1.00 . A A . 5 LYS HZ1 1 1 25 7285 1 1 5 LYS HZ2 H 0.668 -2.856 4.191 1.00 . A A . 5 LYS HZ2 1 1 25 7286 1 1 5 LYS HZ3 H 1.637 -1.470 4.226 1.00 . A A . 5 LYS HZ3 1 1 25 7287 1 1 5 LYS N N -1.868 -2.313 -1.925 1.00 . A A . 5 LYS N 1 1 25 7288 1 1 5 LYS NZ N 1.176 -2.163 3.604 1.00 . A A . 5 LYS NZ 1 1 25 7289 1 1 5 LYS O O -1.924 1.275 -1.838 1.00 . A A . 5 LYS O 1 1 25 7290 1 1 6 LEU C C -1.429 1.035 -5.242 1.00 . A A . 6 LEU C 1 1 25 7291 1 1 6 LEU CA C -0.414 0.837 -4.121 1.00 . A A . 6 LEU CA 1 1 25 7292 1 1 6 LEU CB C 0.944 0.453 -4.709 1.00 . A A . 6 LEU CB 1 1 25 7293 1 1 6 LEU CD1 C 1.152 -0.840 -6.847 1.00 . A A . 6 LEU CD1 1 1 25 7294 1 1 6 LEU CD2 C 2.216 -1.707 -4.756 1.00 . A A . 6 LEU CD2 1 1 25 7295 1 1 6 LEU CG C 1.036 -0.940 -5.334 1.00 . A A . 6 LEU CG 1 1 25 7296 1 1 6 LEU H H -0.631 -1.122 -3.349 1.00 . A A . 6 LEU H 1 1 25 7297 1 1 6 LEU HA H -0.312 1.764 -3.576 1.00 . A A . 6 LEU HA 1 1 25 7298 1 1 6 LEU HB2 H 1.190 1.174 -5.473 1.00 . A A . 6 LEU HB2 1 1 25 7299 1 1 6 LEU HB3 H 1.676 0.509 -3.915 1.00 . A A . 6 LEU HB3 1 1 25 7300 1 1 6 LEU HD11 H 0.731 -1.725 -7.299 1.00 . A A . 6 LEU HD11 1 1 25 7301 1 1 6 LEU HD12 H 2.192 -0.755 -7.123 1.00 . A A . 6 LEU HD12 1 1 25 7302 1 1 6 LEU HD13 H 0.616 0.032 -7.192 1.00 . A A . 6 LEU HD13 1 1 25 7303 1 1 6 LEU HD21 H 1.877 -2.327 -3.939 1.00 . A A . 6 LEU HD21 1 1 25 7304 1 1 6 LEU HD22 H 2.957 -1.009 -4.395 1.00 . A A . 6 LEU HD22 1 1 25 7305 1 1 6 LEU HD23 H 2.652 -2.329 -5.524 1.00 . A A . 6 LEU HD23 1 1 25 7306 1 1 6 LEU HG H 0.133 -1.490 -5.104 1.00 . A A . 6 LEU HG 1 1 25 7307 1 1 6 LEU N N -0.866 -0.186 -3.184 1.00 . A A . 6 LEU N 1 1 25 7308 1 1 6 LEU O O -1.421 2.057 -5.928 1.00 . A A . 6 LEU O 1 1 25 7309 1 1 7 VAL C C -4.711 0.326 -5.850 1.00 . A A . 7 VAL C 1 1 25 7310 1 1 7 VAL CA C -3.328 0.118 -6.458 1.00 . A A . 7 VAL CA 1 1 25 7311 1 1 7 VAL CB C -3.343 -1.161 -7.316 1.00 . A A . 7 VAL CB 1 1 25 7312 1 1 7 VAL CG1 C -4.431 -1.080 -8.376 1.00 . A A . 7 VAL CG1 1 1 25 7313 1 1 7 VAL CG2 C -1.981 -1.389 -7.955 1.00 . A A . 7 VAL CG2 1 1 25 7314 1 1 7 VAL H H -2.261 -0.739 -4.844 1.00 . A A . 7 VAL H 1 1 25 7315 1 1 7 VAL HA H -3.099 0.956 -7.100 1.00 . A A . 7 VAL HA 1 1 25 7316 1 1 7 VAL HB H -3.560 -2.000 -6.672 1.00 . A A . 7 VAL HB 1 1 25 7317 1 1 7 VAL HG11 H -4.451 -0.085 -8.796 1.00 . A A . 7 VAL HG11 1 1 25 7318 1 1 7 VAL HG12 H -4.228 -1.798 -9.157 1.00 . A A . 7 VAL HG12 1 1 25 7319 1 1 7 VAL HG13 H -5.388 -1.299 -7.926 1.00 . A A . 7 VAL HG13 1 1 25 7320 1 1 7 VAL HG21 H -1.276 -1.700 -7.199 1.00 . A A . 7 VAL HG21 1 1 25 7321 1 1 7 VAL HG22 H -2.063 -2.156 -8.710 1.00 . A A . 7 VAL HG22 1 1 25 7322 1 1 7 VAL HG23 H -1.638 -0.471 -8.410 1.00 . A A . 7 VAL HG23 1 1 25 7323 1 1 7 VAL N N -2.304 0.051 -5.422 1.00 . A A . 7 VAL N 1 1 25 7324 1 1 7 VAL O O -5.288 1.409 -5.949 1.00 . A A . 7 VAL O 1 1 25 7325 1 1 8 VAL C C -6.616 0.469 -3.566 1.00 . A A . 8 VAL C 1 1 25 7326 1 1 8 VAL CA C -6.554 -0.653 -4.596 1.00 . A A . 8 VAL CA 1 1 25 7327 1 1 8 VAL CB C -6.919 -1.984 -3.913 1.00 . A A . 8 VAL CB 1 1 25 7328 1 1 8 VAL CG1 C -8.280 -1.884 -3.242 1.00 . A A . 8 VAL CG1 1 1 25 7329 1 1 8 VAL CG2 C -6.894 -3.124 -4.920 1.00 . A A . 8 VAL CG2 1 1 25 7330 1 1 8 VAL H H -4.730 -1.557 -5.177 1.00 . A A . 8 VAL H 1 1 25 7331 1 1 8 VAL HA H -7.282 -0.458 -5.370 1.00 . A A . 8 VAL HA 1 1 25 7332 1 1 8 VAL HB H -6.181 -2.189 -3.151 1.00 . A A . 8 VAL HB 1 1 25 7333 1 1 8 VAL HG11 H -8.938 -2.639 -3.648 1.00 . A A . 8 VAL HG11 1 1 25 7334 1 1 8 VAL HG12 H -8.170 -2.036 -2.178 1.00 . A A . 8 VAL HG12 1 1 25 7335 1 1 8 VAL HG13 H -8.700 -0.906 -3.425 1.00 . A A . 8 VAL HG13 1 1 25 7336 1 1 8 VAL HG21 H -7.398 -3.984 -4.503 1.00 . A A . 8 VAL HG21 1 1 25 7337 1 1 8 VAL HG22 H -7.396 -2.815 -5.824 1.00 . A A . 8 VAL HG22 1 1 25 7338 1 1 8 VAL HG23 H -5.870 -3.382 -5.147 1.00 . A A . 8 VAL HG23 1 1 25 7339 1 1 8 VAL N N -5.238 -0.720 -5.222 1.00 . A A . 8 VAL N 1 1 25 7340 1 1 8 VAL O O -7.538 1.284 -3.574 1.00 . A A . 8 VAL O 1 1 25 7341 1 1 9 VAL C C -4.836 2.771 -2.137 1.00 . A A . 9 VAL C 1 1 25 7342 1 1 9 VAL CA C -5.567 1.528 -1.641 1.00 . A A . 9 VAL CA 1 1 25 7343 1 1 9 VAL CB C -4.864 1.004 -0.375 1.00 . A A . 9 VAL CB 1 1 25 7344 1 1 9 VAL CG1 C -5.002 2.002 0.764 1.00 . A A . 9 VAL CG1 1 1 25 7345 1 1 9 VAL CG2 C -5.426 -0.353 0.022 1.00 . A A . 9 VAL CG2 1 1 25 7346 1 1 9 VAL H H -4.920 -0.172 -2.723 1.00 . A A . 9 VAL H 1 1 25 7347 1 1 9 VAL HA H -6.580 1.798 -1.380 1.00 . A A . 9 VAL HA 1 1 25 7348 1 1 9 VAL HB H -3.813 0.884 -0.595 1.00 . A A . 9 VAL HB 1 1 25 7349 1 1 9 VAL HG11 H -4.634 2.965 0.445 1.00 . A A . 9 VAL HG11 1 1 25 7350 1 1 9 VAL HG12 H -6.041 2.087 1.045 1.00 . A A . 9 VAL HG12 1 1 25 7351 1 1 9 VAL HG13 H -4.426 1.661 1.612 1.00 . A A . 9 VAL HG13 1 1 25 7352 1 1 9 VAL HG21 H -5.319 -1.043 -0.801 1.00 . A A . 9 VAL HG21 1 1 25 7353 1 1 9 VAL HG22 H -4.887 -0.728 0.879 1.00 . A A . 9 VAL HG22 1 1 25 7354 1 1 9 VAL HG23 H -6.473 -0.251 0.272 1.00 . A A . 9 VAL HG23 1 1 25 7355 1 1 9 VAL N N -5.627 0.505 -2.678 1.00 . A A . 9 VAL N 1 1 25 7356 1 1 9 VAL O O -5.055 3.873 -1.637 1.00 . A A . 9 VAL O 1 1 25 7357 1 1 10 GLY C C -4.072 4.605 -4.537 1.00 . A A . 10 GLY C 1 1 25 7358 1 1 10 GLY CA C -3.217 3.700 -3.673 1.00 . A A . 10 GLY CA 1 1 25 7359 1 1 10 GLY H H -3.833 1.683 -3.486 1.00 . A A . 10 GLY H 1 1 25 7360 1 1 10 GLY HA2 H -2.807 4.279 -2.859 1.00 . A A . 10 GLY HA2 1 1 25 7361 1 1 10 GLY HA3 H -2.404 3.314 -4.271 1.00 . A A . 10 GLY HA3 1 1 25 7362 1 1 10 GLY N N -3.967 2.585 -3.125 1.00 . A A . 10 GLY N 1 1 25 7363 1 1 10 GLY O O -3.718 5.759 -4.780 1.00 . A A . 10 GLY O 1 1 25 7364 1 1 11 ALA C C -7.101 5.643 -5.002 1.00 . A A . 11 ALA C 1 1 25 7365 1 1 11 ALA CA C -6.109 4.850 -5.846 1.00 . A A . 11 ALA CA 1 1 25 7366 1 1 11 ALA CB C -6.846 3.929 -6.806 1.00 . A A . 11 ALA CB 1 1 25 7367 1 1 11 ALA H H -5.428 3.156 -4.776 1.00 . A A . 11 ALA H 1 1 25 7368 1 1 11 ALA HA H -5.518 5.541 -6.431 1.00 . A A . 11 ALA HA 1 1 25 7369 1 1 11 ALA HB1 H -7.259 4.511 -7.617 1.00 . A A . 11 ALA HB1 1 1 25 7370 1 1 11 ALA HB2 H -6.158 3.197 -7.202 1.00 . A A . 11 ALA HB2 1 1 25 7371 1 1 11 ALA HB3 H -7.644 3.426 -6.281 1.00 . A A . 11 ALA HB3 1 1 25 7372 1 1 11 ALA N N -5.200 4.082 -5.005 1.00 . A A . 11 ALA N 1 1 25 7373 1 1 11 ALA O O -7.519 6.736 -5.381 1.00 . A A . 11 ALA O 1 1 25 7374 1 1 12 GLY C C -8.913 4.848 -1.864 1.00 . A A . 12 GLY C 1 1 25 7375 1 1 12 GLY CA C -8.419 5.750 -2.977 1.00 . A A . 12 GLY CA 1 1 25 7376 1 1 12 GLY H H -7.111 4.208 -3.606 1.00 . A A . 12 GLY H 1 1 25 7377 1 1 12 GLY HA2 H -7.937 6.613 -2.541 1.00 . A A . 12 GLY HA2 1 1 25 7378 1 1 12 GLY HA3 H -9.266 6.080 -3.561 1.00 . A A . 12 GLY HA3 1 1 25 7379 1 1 12 GLY N N -7.477 5.082 -3.857 1.00 . A A . 12 GLY N 1 1 25 7380 1 1 12 GLY O O -8.992 5.262 -0.709 1.00 . A A . 12 GLY O 1 1 25 7381 1 1 13 GLY C C -10.994 1.951 -1.673 1.00 . A A . 13 GLY C 1 1 25 7382 1 1 13 GLY CA C -9.735 2.666 -1.223 1.00 . A A . 13 GLY CA 1 1 25 7383 1 1 13 GLY H H -9.165 3.334 -3.150 1.00 . A A . 13 GLY H 1 1 25 7384 1 1 13 GLY HA2 H -8.966 1.933 -1.031 1.00 . A A . 13 GLY HA2 1 1 25 7385 1 1 13 GLY HA3 H -9.946 3.200 -0.308 1.00 . A A . 13 GLY HA3 1 1 25 7386 1 1 13 GLY N N -9.248 3.609 -2.213 1.00 . A A . 13 GLY N 1 1 25 7387 1 1 13 GLY O O -12.105 2.370 -1.348 1.00 . A A . 13 GLY O 1 1 25 7388 1 1 14 VAL C C -12.508 -0.821 -1.839 1.00 . A A . 14 VAL C 1 1 25 7389 1 1 14 VAL CA C -11.952 0.095 -2.923 1.00 . A A . 14 VAL CA 1 1 25 7390 1 1 14 VAL CB C -11.556 -0.755 -4.145 1.00 . A A . 14 VAL CB 1 1 25 7391 1 1 14 VAL CG1 C -12.785 -1.407 -4.762 1.00 . A A . 14 VAL CG1 1 1 25 7392 1 1 14 VAL CG2 C -10.823 0.096 -5.171 1.00 . A A . 14 VAL CG2 1 1 25 7393 1 1 14 VAL H H -9.911 0.585 -2.653 1.00 . A A . 14 VAL H 1 1 25 7394 1 1 14 VAL HA H -12.723 0.788 -3.227 1.00 . A A . 14 VAL HA 1 1 25 7395 1 1 14 VAL HB H -10.889 -1.537 -3.814 1.00 . A A . 14 VAL HB 1 1 25 7396 1 1 14 VAL HG11 H -13.359 -0.662 -5.293 1.00 . A A . 14 VAL HG11 1 1 25 7397 1 1 14 VAL HG12 H -12.475 -2.182 -5.448 1.00 . A A . 14 VAL HG12 1 1 25 7398 1 1 14 VAL HG13 H -13.393 -1.839 -3.981 1.00 . A A . 14 VAL HG13 1 1 25 7399 1 1 14 VAL HG21 H -11.196 1.109 -5.132 1.00 . A A . 14 VAL HG21 1 1 25 7400 1 1 14 VAL HG22 H -9.766 0.092 -4.950 1.00 . A A . 14 VAL HG22 1 1 25 7401 1 1 14 VAL HG23 H -10.986 -0.310 -6.159 1.00 . A A . 14 VAL HG23 1 1 25 7402 1 1 14 VAL N N -10.821 0.870 -2.426 1.00 . A A . 14 VAL N 1 1 25 7403 1 1 14 VAL O O -13.721 -0.994 -1.720 1.00 . A A . 14 VAL O 1 1 25 7404 1 1 15 GLY C C -11.638 -3.739 -0.243 1.00 . A A . 15 GLY C 1 1 25 7405 1 1 15 GLY CA C -12.034 -2.299 0.015 1.00 . A A . 15 GLY CA 1 1 25 7406 1 1 15 GLY H H -10.659 -1.232 -1.191 1.00 . A A . 15 GLY H 1 1 25 7407 1 1 15 GLY HA2 H -11.585 -1.973 0.942 1.00 . A A . 15 GLY HA2 1 1 25 7408 1 1 15 GLY HA3 H -13.109 -2.245 0.110 1.00 . A A . 15 GLY HA3 1 1 25 7409 1 1 15 GLY N N -11.613 -1.407 -1.049 1.00 . A A . 15 GLY N 1 1 25 7410 1 1 15 GLY O O -12.239 -4.664 0.302 1.00 . A A . 15 GLY O 1 1 25 7411 1 1 16 LYS C C -9.123 -5.749 -0.387 1.00 . A A . 16 LYS C 1 1 25 7412 1 1 16 LYS CA C -10.146 -5.267 -1.412 1.00 . A A . 16 LYS CA 1 1 25 7413 1 1 16 LYS CB C -9.526 -5.277 -2.811 1.00 . A A . 16 LYS CB 1 1 25 7414 1 1 16 LYS CD C -11.765 -5.505 -3.926 1.00 . A A . 16 LYS CD 1 1 25 7415 1 1 16 LYS CE C -11.546 -6.978 -4.236 1.00 . A A . 16 LYS CE 1 1 25 7416 1 1 16 LYS CG C -10.451 -4.743 -3.890 1.00 . A A . 16 LYS CG 1 1 25 7417 1 1 16 LYS H H -10.184 -3.152 -1.484 1.00 . A A . 16 LYS H 1 1 25 7418 1 1 16 LYS HA H -10.994 -5.935 -1.398 1.00 . A A . 16 LYS HA 1 1 25 7419 1 1 16 LYS HB2 H -8.632 -4.672 -2.800 1.00 . A A . 16 LYS HB2 1 1 25 7420 1 1 16 LYS HB3 H -9.259 -6.293 -3.066 1.00 . A A . 16 LYS HB3 1 1 25 7421 1 1 16 LYS HD2 H -12.248 -5.420 -2.964 1.00 . A A . 16 LYS HD2 1 1 25 7422 1 1 16 LYS HD3 H -12.399 -5.076 -4.689 1.00 . A A . 16 LYS HD3 1 1 25 7423 1 1 16 LYS HE2 H -11.047 -7.062 -5.190 1.00 . A A . 16 LYS HE2 1 1 25 7424 1 1 16 LYS HE3 H -10.922 -7.406 -3.465 1.00 . A A . 16 LYS HE3 1 1 25 7425 1 1 16 LYS HG2 H -10.658 -3.701 -3.691 1.00 . A A . 16 LYS HG2 1 1 25 7426 1 1 16 LYS HG3 H -9.963 -4.838 -4.849 1.00 . A A . 16 LYS HG3 1 1 25 7427 1 1 16 LYS HZ1 H -13.627 -7.069 -4.391 1.00 . A A . 16 LYS HZ1 1 1 25 7428 1 1 16 LYS HZ2 H -12.958 -8.285 -3.423 1.00 . A A . 16 LYS HZ2 1 1 25 7429 1 1 16 LYS HZ3 H -12.829 -8.377 -5.107 1.00 . A A . 16 LYS HZ3 1 1 25 7430 1 1 16 LYS N N -10.623 -3.930 -1.080 1.00 . A A . 16 LYS N 1 1 25 7431 1 1 16 LYS NZ N -12.830 -7.730 -4.293 1.00 . A A . 16 LYS NZ 1 1 25 7432 1 1 16 LYS O O -9.214 -6.870 0.113 1.00 . A A . 16 LYS O 1 1 25 7433 1 1 17 SER C C -7.723 -5.729 2.192 1.00 . A A . 17 SER C 1 1 25 7434 1 1 17 SER CA C -7.112 -5.236 0.884 1.00 . A A . 17 SER CA 1 1 25 7435 1 1 17 SER CB C -6.218 -4.023 1.150 1.00 . A A . 17 SER CB 1 1 25 7436 1 1 17 SER H H -8.135 -4.016 -0.512 1.00 . A A . 17 SER H 1 1 25 7437 1 1 17 SER HA H -6.513 -6.027 0.459 1.00 . A A . 17 SER HA 1 1 25 7438 1 1 17 SER HB2 H -5.546 -3.884 0.317 1.00 . A A . 17 SER HB2 1 1 25 7439 1 1 17 SER HB3 H -6.834 -3.144 1.266 1.00 . A A . 17 SER HB3 1 1 25 7440 1 1 17 SER HG H -5.713 -3.552 2.983 1.00 . A A . 17 SER HG 1 1 25 7441 1 1 17 SER N N -8.153 -4.895 -0.079 1.00 . A A . 17 SER N 1 1 25 7442 1 1 17 SER O O -7.135 -6.553 2.893 1.00 . A A . 17 SER O 1 1 25 7443 1 1 17 SER OG O -5.452 -4.204 2.329 1.00 . A A . 17 SER OG 1 1 25 7444 1 1 18 HIS C C -9.762 -7.120 3.814 1.00 . A A . 18 HIS C 1 1 25 7445 1 1 18 HIS CA C -9.599 -5.605 3.739 1.00 . A A . 18 HIS CA 1 1 25 7446 1 1 18 HIS CB C -10.968 -4.929 3.812 1.00 . A A . 18 HIS CB 1 1 25 7447 1 1 18 HIS CD2 C -11.830 -2.497 3.546 1.00 . A A . 18 HIS CD2 1 1 25 7448 1 1 18 HIS CE1 C -9.996 -1.442 4.119 1.00 . A A . 18 HIS CE1 1 1 25 7449 1 1 18 HIS CG C -10.897 -3.433 3.836 1.00 . A A . 18 HIS CG 1 1 25 7450 1 1 18 HIS H H -9.324 -4.564 1.916 1.00 . A A . 18 HIS H 1 1 25 7451 1 1 18 HIS HA H -9.001 -5.279 4.576 1.00 . A A . 18 HIS HA 1 1 25 7452 1 1 18 HIS HB2 H -11.551 -5.218 2.950 1.00 . A A . 18 HIS HB2 1 1 25 7453 1 1 18 HIS HB3 H -11.475 -5.253 4.709 1.00 . A A . 18 HIS HB3 1 1 25 7454 1 1 18 HIS HD1 H -8.904 -3.139 4.456 1.00 . A A . 18 HIS HD1 1 1 25 7455 1 1 18 HIS HD2 H -12.847 -2.682 3.230 1.00 . A A . 18 HIS HD2 1 1 25 7456 1 1 18 HIS HE1 H -9.289 -0.657 4.340 1.00 . A A . 18 HIS HE1 1 1 25 7457 1 1 18 HIS N N -8.907 -5.217 2.515 1.00 . A A . 18 HIS N 1 1 25 7458 1 1 18 HIS ND1 N -9.758 -2.740 4.191 1.00 . A A . 18 HIS ND1 1 1 25 7459 1 1 18 HIS NE2 N -11.246 -1.268 3.730 1.00 . A A . 18 HIS NE2 1 1 25 7460 1 1 18 HIS O O -9.823 -7.696 4.900 1.00 . A A . 18 HIS O 1 1 25 7461 1 1 19 VAL C C -8.679 -9.919 2.906 1.00 . A A . 19 VAL C 1 1 25 7462 1 1 19 VAL CA C -9.990 -9.209 2.585 1.00 . A A . 19 VAL CA 1 1 25 7463 1 1 19 VAL CB C -10.476 -9.658 1.194 1.00 . A A . 19 VAL CB 1 1 25 7464 1 1 19 VAL CG1 C -10.784 -11.148 1.191 1.00 . A A . 19 VAL CG1 1 1 25 7465 1 1 19 VAL CG2 C -11.695 -8.853 0.771 1.00 . A A . 19 VAL CG2 1 1 25 7466 1 1 19 VAL H H -9.780 -7.248 1.818 1.00 . A A . 19 VAL H 1 1 25 7467 1 1 19 VAL HA H -10.733 -9.499 3.314 1.00 . A A . 19 VAL HA 1 1 25 7468 1 1 19 VAL HB H -9.685 -9.475 0.482 1.00 . A A . 19 VAL HB 1 1 25 7469 1 1 19 VAL HG11 H -11.054 -11.461 2.189 1.00 . A A . 19 VAL HG11 1 1 25 7470 1 1 19 VAL HG12 H -11.604 -11.345 0.516 1.00 . A A . 19 VAL HG12 1 1 25 7471 1 1 19 VAL HG13 H -9.910 -11.695 0.867 1.00 . A A . 19 VAL HG13 1 1 25 7472 1 1 19 VAL HG21 H -11.434 -8.213 -0.059 1.00 . A A . 19 VAL HG21 1 1 25 7473 1 1 19 VAL HG22 H -12.485 -9.526 0.472 1.00 . A A . 19 VAL HG22 1 1 25 7474 1 1 19 VAL HG23 H -12.033 -8.248 1.599 1.00 . A A . 19 VAL HG23 1 1 25 7475 1 1 19 VAL N N -9.834 -7.761 2.651 1.00 . A A . 19 VAL N 1 1 25 7476 1 1 19 VAL O O -8.640 -10.823 3.740 1.00 . A A . 19 VAL O 1 1 25 7477 1 1 20 TRP C C -5.721 -9.677 3.804 1.00 . A A . 20 TRP C 1 1 25 7478 1 1 20 TRP CA C -6.295 -10.097 2.456 1.00 . A A . 20 TRP CA 1 1 25 7479 1 1 20 TRP CB C -5.339 -9.693 1.332 1.00 . A A . 20 TRP CB 1 1 25 7480 1 1 20 TRP CD1 C -6.647 -9.615 -0.870 1.00 . A A . 20 TRP CD1 1 1 25 7481 1 1 20 TRP CD2 C -5.304 -11.395 -0.660 1.00 . A A . 20 TRP CD2 1 1 25 7482 1 1 20 TRP CE2 C -5.960 -11.471 -1.904 1.00 . A A . 20 TRP CE2 1 1 25 7483 1 1 20 TRP CE3 C -4.406 -12.406 -0.309 1.00 . A A . 20 TRP CE3 1 1 25 7484 1 1 20 TRP CG C -5.757 -10.200 -0.015 1.00 . A A . 20 TRP CG 1 1 25 7485 1 1 20 TRP CH2 C -4.862 -13.496 -2.425 1.00 . A A . 20 TRP CH2 1 1 25 7486 1 1 20 TRP CZ2 C -5.746 -12.520 -2.795 1.00 . A A . 20 TRP CZ2 1 1 25 7487 1 1 20 TRP CZ3 C -4.195 -13.446 -1.194 1.00 . A A . 20 TRP CZ3 1 1 25 7488 1 1 20 TRP H H -7.704 -8.776 1.588 1.00 . A A . 20 TRP H 1 1 25 7489 1 1 20 TRP HA H -6.413 -11.171 2.447 1.00 . A A . 20 TRP HA 1 1 25 7490 1 1 20 TRP HB2 H -5.287 -8.616 1.282 1.00 . A A . 20 TRP HB2 1 1 25 7491 1 1 20 TRP HB3 H -4.356 -10.088 1.547 1.00 . A A . 20 TRP HB3 1 1 25 7492 1 1 20 TRP HD1 H -7.168 -8.692 -0.667 1.00 . A A . 20 TRP HD1 1 1 25 7493 1 1 20 TRP HE1 H -7.353 -10.164 -2.771 1.00 . A A . 20 TRP HE1 1 1 25 7494 1 1 20 TRP HE3 H -3.882 -12.385 0.636 1.00 . A A . 20 TRP HE3 1 1 25 7495 1 1 20 TRP HH2 H -4.667 -14.328 -3.085 1.00 . A A . 20 TRP HH2 1 1 25 7496 1 1 20 TRP HZ2 H -6.252 -12.572 -3.748 1.00 . A A . 20 TRP HZ2 1 1 25 7497 1 1 20 TRP HZ3 H -3.505 -14.238 -0.939 1.00 . A A . 20 TRP HZ3 1 1 25 7498 1 1 20 TRP N N -7.609 -9.502 2.240 1.00 . A A . 20 TRP N 1 1 25 7499 1 1 20 TRP NE1 N -6.774 -10.375 -2.008 1.00 . A A . 20 TRP NE1 1 1 25 7500 1 1 20 TRP O O -5.677 -8.490 4.129 1.00 . A A . 20 TRP O 1 1 stop_ save_
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