NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
595762 | 2n0e | 25522 | cing | 4-filtered-FRED | STAR | entry | full | 173 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2n0e # This FRED archive file contains, for PDB entry <2n0e>: # # - 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_2n0e _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2n0e _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 1105.27 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 $Gastrin_releasing_peptide A . 1 1 stop_ save_ save_Gastrin_releasing_peptide _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Gastrin releasing peptide" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GNHWAVGHLMX _Entity.Number_of_monomers 11 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 GLY . 1 1 2 ASN . 1 1 3 HIS . 1 1 4 TRP . 1 1 5 ALA . 1 1 6 VAL . 1 1 7 GLY . 1 1 8 HIS . 1 1 9 LEU . 1 1 10 MET . 1 1 11 NH2 $NH2 1 1 stop_ loop_ _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID GLY 1 1 1 1 ASN 2 2 1 1 HIS 3 3 1 1 TRP 4 4 1 1 ALA 5 5 1 1 VAL 6 6 1 1 GLY 7 7 1 1 HIS 8 8 1 1 LEU 9 9 1 1 MET 10 10 1 1 NH2 11 11 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_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 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 1 1 2 1 1 2 ASN HD21 . 2 ASN HD21 1 1 2 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 2 1 2 1 1 2 ASN QD . 2 ASN QD2 1 1 3 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 3 1 2 1 1 2 ASN HD22 . 2 ASN HD22 1 1 4 1 1 1 1 2 ASN HA . 2 ASN HA 1 1 4 1 2 1 1 3 HIS HA . 3 HIS HA 1 1 5 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 5 1 2 1 1 2 ASN QD . 2 ASN QD2 1 1 6 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 6 1 2 1 1 2 ASN HD22 . 2 ASN HD22 1 1 7 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 7 1 2 1 1 3 HIS HA . 3 HIS HA 1 1 8 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 8 1 2 1 1 3 HIS QB . 3 HIS QB 1 1 9 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 9 1 2 1 1 4 TRP H . 4 TRP H 1 1 10 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 10 1 2 1 1 6 VAL H . 6 VAL H 1 1 11 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 11 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 12 1 1 1 1 2 ASN QB . 2 ASN QB 1 1 12 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 13 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 13 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 14 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 14 1 2 1 1 4 TRP H . 4 TRP H 1 1 15 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 15 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 16 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 16 1 2 1 1 4 TRP HE1 . 4 TRP HE1 1 1 17 1 1 1 1 3 HIS HA . 3 HIS HA 1 1 17 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 18 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 18 1 2 1 1 3 HIS HD2 . 3 HIS HD2 1 1 19 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 19 1 2 1 1 4 TRP H . 4 TRP H 1 1 20 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 20 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 21 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 21 1 2 1 1 5 ALA H . 5 ALA H 1 1 22 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 22 1 2 1 1 6 VAL H . 6 VAL H 1 1 23 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 23 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 24 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 24 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 25 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 25 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 26 1 1 1 1 3 HIS QB . 3 HIS QB 1 1 26 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 27 1 1 1 1 3 HIS HD2 . 3 HIS HD2 1 1 27 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 28 1 1 1 1 3 HIS HD2 . 3 HIS HD2 1 1 28 1 2 1 1 5 ALA H . 5 ALA H 1 1 29 1 1 1 1 3 HIS HD2 . 3 HIS HD2 1 1 29 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 30 1 1 1 1 4 TRP H . 4 TRP H 1 1 30 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 31 1 1 1 1 4 TRP H . 4 TRP H 1 1 31 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 32 1 1 1 1 4 TRP H . 4 TRP H 1 1 32 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 33 1 1 1 1 4 TRP H . 4 TRP H 1 1 33 1 2 1 1 5 ALA H . 5 ALA H 1 1 34 1 1 1 1 4 TRP H . 4 TRP H 1 1 34 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 35 1 1 1 1 4 TRP H . 4 TRP H 1 1 35 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 36 1 1 1 1 4 TRP H . 4 TRP H 1 1 36 1 2 1 1 6 VAL H . 6 VAL H 1 1 37 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 37 1 2 1 1 4 TRP QB . 4 TRP QB 1 1 38 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 38 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 39 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 39 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 40 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 40 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 41 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 41 1 2 1 1 6 VAL H . 6 VAL H 1 1 42 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 42 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 43 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 43 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 44 1 1 1 1 4 TRP HA . 4 TRP HA 1 1 44 1 2 1 1 7 GLY H . 7 GLY H 1 1 45 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 45 1 2 1 1 4 TRP HD1 . 4 TRP HD1 1 1 46 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 46 1 2 1 1 4 TRP HE1 . 4 TRP HE1 1 1 47 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 47 1 2 1 1 4 TRP HE3 . 4 TRP HE3 1 1 48 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 48 1 2 1 1 5 ALA H . 5 ALA H 1 1 49 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 49 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 50 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 50 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 51 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 51 1 2 1 1 6 VAL H . 6 VAL H 1 1 52 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 52 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 53 1 1 1 1 4 TRP QB . 4 TRP QB 1 1 53 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 54 1 1 1 1 4 TRP HD1 . 4 TRP HD1 1 1 54 1 2 1 1 5 ALA H . 5 ALA H 1 1 55 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 55 1 2 1 1 5 ALA H . 5 ALA H 1 1 56 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 56 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 57 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 57 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 58 1 1 1 1 4 TRP HE3 . 4 TRP HE3 1 1 58 1 2 1 1 8 HIS HE1 . 8 HIS HE1 1 1 59 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 59 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 60 1 1 1 1 4 TRP HH2 . 4 TRP HH2 1 1 60 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 61 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 61 1 2 1 1 5 ALA H . 5 ALA H 1 1 62 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 62 1 2 1 1 5 ALA HA . 5 ALA HA 1 1 63 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 63 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 64 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 64 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 65 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 65 1 2 1 1 9 LEU HA . 9 LEU HA 1 1 66 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 66 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 67 1 1 1 1 4 TRP HZ3 . 4 TRP HZ3 1 1 67 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 68 1 1 1 1 5 ALA H . 5 ALA H 1 1 68 1 2 1 1 5 ALA MB . 5 ALA QB 1 1 69 1 1 1 1 5 ALA H . 5 ALA H 1 1 69 1 2 1 1 6 VAL H . 6 VAL H 1 1 70 1 1 1 1 5 ALA H . 5 ALA H 1 1 70 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 71 1 1 1 1 5 ALA H . 5 ALA H 1 1 71 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 72 1 1 1 1 5 ALA H . 5 ALA H 1 1 72 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 73 1 1 1 1 5 ALA H . 5 ALA H 1 1 73 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 74 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 74 1 2 1 1 6 VAL H . 6 VAL H 1 1 75 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 75 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 76 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 76 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 77 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 77 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 78 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 78 1 2 1 1 8 HIS H . 8 HIS H 1 1 79 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 79 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 80 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 80 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 81 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 81 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 82 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 82 1 2 1 1 9 LEU H . 9 LEU H 1 1 83 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 83 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 84 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 84 1 2 1 1 10 MET H . 10 MET H 1 1 85 1 1 1 1 5 ALA HA . 5 ALA HA 1 1 85 1 2 1 1 10 MET ME . 10 MET QE 1 1 86 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 86 1 2 1 1 6 VAL H . 6 VAL H 1 1 87 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 87 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 88 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 88 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 89 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 89 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 90 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 90 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 91 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 91 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 92 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 92 1 2 1 1 9 LEU H . 9 LEU H 1 1 93 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 93 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 94 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 94 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 95 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 95 1 2 1 1 10 MET H . 10 MET H 1 1 96 1 1 1 1 5 ALA MB . 5 ALA QB 1 1 96 1 2 1 1 10 MET ME . 10 MET QE 1 1 97 1 1 1 1 6 VAL H . 6 VAL H 1 1 97 1 2 1 1 6 VAL HA . 6 VAL HA 1 1 98 1 1 1 1 6 VAL H . 6 VAL H 1 1 98 1 2 1 1 6 VAL HB . 6 VAL HB 1 1 99 1 1 1 1 6 VAL H . 6 VAL H 1 1 99 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 100 1 1 1 1 6 VAL H . 6 VAL H 1 1 100 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 101 1 1 1 1 6 VAL H . 6 VAL H 1 1 101 1 2 1 1 7 GLY H . 7 GLY H 1 1 102 1 1 1 1 6 VAL H . 6 VAL H 1 1 102 1 2 1 1 8 HIS H . 8 HIS H 1 1 103 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 103 1 2 1 1 6 VAL MG1 . 6 VAL QG1 1 1 104 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 104 1 2 1 1 6 VAL MG2 . 6 VAL QG2 1 1 105 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 105 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 106 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 106 1 2 1 1 10 MET H . 10 MET H 1 1 107 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 107 1 2 1 1 10 MET ME . 10 MET QE 1 1 108 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 108 1 2 1 1 10 MET HG2 . 10 MET HG2 1 1 109 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 109 1 2 1 1 10 MET QG . 10 MET QG 1 1 110 1 1 1 1 6 VAL HA . 6 VAL HA 1 1 110 1 2 1 1 10 MET HG3 . 10 MET HG3 1 1 111 1 1 1 1 6 VAL HB . 6 VAL HB 1 1 111 1 2 1 1 7 GLY H . 7 GLY H 1 1 112 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 112 1 2 1 1 7 GLY H . 7 GLY H 1 1 113 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 113 1 2 1 1 8 HIS H . 8 HIS H 1 1 114 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 114 1 2 1 1 10 MET HG2 . 10 MET HG2 1 1 115 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 115 1 2 1 1 10 MET QG . 10 MET QG 1 1 116 1 1 1 1 6 VAL MG1 . 6 VAL QG1 1 1 116 1 2 1 1 10 MET HG3 . 10 MET HG3 1 1 117 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 117 1 2 1 1 7 GLY H . 7 GLY H 1 1 118 1 1 1 1 6 VAL MG2 . 6 VAL QG2 1 1 118 1 2 1 1 7 GLY QA . 7 GLY QA 1 1 119 1 1 1 1 7 GLY H . 7 GLY H 1 1 119 1 2 1 1 7 GLY QA . 7 GLY QA 1 1 120 1 1 1 1 7 GLY H . 7 GLY H 1 1 120 1 2 1 1 8 HIS H . 8 HIS H 1 1 121 1 1 1 1 7 GLY H . 7 GLY H 1 1 121 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 122 1 1 1 1 7 GLY H . 7 GLY H 1 1 122 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 123 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 123 1 2 1 1 8 HIS H . 8 HIS H 1 1 124 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 124 1 2 1 1 8 HIS HA . 8 HIS HA 1 1 125 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 125 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 126 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 126 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 127 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 127 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 128 1 1 1 1 7 GLY QA . 7 GLY QA 1 1 128 1 2 1 1 9 LEU H . 9 LEU H 1 1 129 1 1 1 1 8 HIS H . 8 HIS H 1 1 129 1 2 1 1 8 HIS HB2 . 8 HIS HB2 1 1 130 1 1 1 1 8 HIS H . 8 HIS H 1 1 130 1 2 1 1 8 HIS HB3 . 8 HIS HB3 1 1 131 1 1 1 1 8 HIS H . 8 HIS H 1 1 131 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 132 1 1 1 1 8 HIS H . 8 HIS H 1 1 132 1 2 1 1 9 LEU H . 9 LEU H 1 1 133 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 133 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 134 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 134 1 2 1 1 9 LEU H . 9 LEU H 1 1 135 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 135 1 2 1 1 9 LEU HA . 9 LEU HA 1 1 136 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 136 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 137 1 1 1 1 8 HIS HA . 8 HIS HA 1 1 137 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 138 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 138 1 2 1 1 8 HIS HD2 . 8 HIS HD2 1 1 139 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 139 1 2 1 1 9 LEU H . 9 LEU H 1 1 140 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 140 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 141 1 1 1 1 8 HIS HB2 . 8 HIS HB2 1 1 141 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 142 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 142 1 2 1 1 9 LEU H . 9 LEU H 1 1 143 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 143 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 144 1 1 1 1 8 HIS HB3 . 8 HIS HB3 1 1 144 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 145 1 1 1 1 9 LEU H . 9 LEU H 1 1 145 1 2 1 1 9 LEU HB2 . 9 LEU HB2 1 1 146 1 1 1 1 9 LEU H . 9 LEU H 1 1 146 1 2 1 1 9 LEU HB3 . 9 LEU HB3 1 1 147 1 1 1 1 9 LEU H . 9 LEU H 1 1 147 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 148 1 1 1 1 9 LEU H . 9 LEU H 1 1 148 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 149 1 1 1 1 9 LEU H . 9 LEU H 1 1 149 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 150 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 150 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 151 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 151 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 152 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 152 1 2 1 1 9 LEU HG . 9 LEU HG 1 1 153 1 1 1 1 9 LEU HA . 9 LEU HA 1 1 153 1 2 1 1 10 MET HA . 10 MET HA 1 1 154 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 154 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 155 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 155 1 2 1 1 10 MET H . 10 MET H 1 1 156 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 156 1 2 1 1 10 MET ME . 10 MET QE 1 1 157 1 1 1 1 9 LEU HB2 . 9 LEU HB2 1 1 157 1 2 1 1 10 MET QG . 10 MET QG 1 1 158 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 158 1 2 1 1 9 LEU MD1 . 9 LEU QD1 1 1 159 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 159 1 2 1 1 9 LEU MD2 . 9 LEU QD2 1 1 160 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 160 1 2 1 1 10 MET H . 10 MET H 1 1 161 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 161 1 2 1 1 10 MET HA . 10 MET HA 1 1 162 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 162 1 2 1 1 10 MET QB . 10 MET QB 1 1 163 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 163 1 2 1 1 10 MET ME . 10 MET QE 1 1 164 1 1 1 1 9 LEU HB3 . 9 LEU HB3 1 1 164 1 2 1 1 10 MET QG . 10 MET QG 1 1 165 1 1 1 1 9 LEU MD1 . 9 LEU QD1 1 1 165 1 2 1 1 10 MET H . 10 MET H 1 1 166 1 1 1 1 9 LEU MD1 . 9 LEU QD1 1 1 166 1 2 1 1 10 MET ME . 10 MET QE 1 1 167 1 1 1 1 10 MET H . 10 MET H 1 1 167 1 2 1 1 10 MET HB2 . 10 MET HB2 1 1 168 1 1 1 1 10 MET H . 10 MET H 1 1 168 1 2 1 1 10 MET QB . 10 MET QB 1 1 169 1 1 1 1 10 MET H . 10 MET H 1 1 169 1 2 1 1 10 MET HB3 . 10 MET HB3 1 1 170 1 1 1 1 10 MET H . 10 MET H 1 1 170 1 2 1 1 10 MET ME . 10 MET QE 1 1 171 1 1 1 1 10 MET H . 10 MET H 1 1 171 1 2 1 1 10 MET HG2 . 10 MET HG2 1 1 172 1 1 1 1 10 MET H . 10 MET H 1 1 172 1 2 1 1 10 MET QG . 10 MET QG 1 1 173 1 1 1 1 10 MET H . 10 MET H 1 1 173 1 2 1 1 10 MET HG3 . 10 MET HG3 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . . . 4.05 1 1 2 1 . . . . . . . 3.44 1 1 3 1 . . . . . . . 4.05 1 1 4 1 . . . . . . . 4.35 1 1 5 1 . . . . . . . 3.09 1 1 6 1 . . . . . . . 3.73 1 1 7 1 . . . . . . . 4.81 1 1 8 1 . . . . . . . 4.87 1 1 9 1 . . . . . . . 5.5 1 1 10 1 . . . . . . . 5.5 1 1 11 1 . . . . . . . 5.36 1 1 12 1 . . . . . . . 4.6 1 1 13 1 . . . . . . . 3.94 1 1 14 1 . . . . . . . 3.01 1 1 15 1 . . . . . . . 3.62 1 1 16 1 . . . . . . . 5.5 1 1 17 1 . . . . . . . 4.96 1 1 18 1 . . . . . . . 3.16 1 1 19 1 . . . . . . . 3.57 1 1 20 1 . . . . . . . 4.65 1 1 21 1 . . . . . . . 4.48 1 1 22 1 . . . . . . . 4.77 1 1 23 1 . . . . . . . 4.99 1 1 24 1 . . . . . . . 4.71 1 1 25 1 . . . . . . . 4.77 1 1 26 1 . . . . . . . 4.18 1 1 27 1 . . . . . . . 5.31 1 1 28 1 . . . . . . . 4.52 1 1 29 1 . . . . . . . 4.83 1 1 30 1 . . . . . . . 2.95 1 1 31 1 . . . . . . . 3.48 1 1 32 1 . . . . . . . 4.84 1 1 33 1 . . . . . . . 3.16 1 1 34 1 . . . . . . . 5.5 1 1 35 1 . . . . . . . 4.87 1 1 36 1 . . . . . . . 4.46 1 1 37 1 . . . . . . . 2.61 1 1 38 1 . . . . . . . 4.78 1 1 39 1 . . . . . . . 5.23 1 1 40 1 . . . . . . . 5.11 1 1 41 1 . . . . . . . 3.98 1 1 42 1 . . . . . . . 5.48 1 1 43 1 . . . . . . . 3.88 1 1 44 1 . . . . . . . 4.63 1 1 45 1 . . . . . . . 2.88 1 1 46 1 . . . . . . . 4.55 1 1 47 1 . . . . . . . 2.98 1 1 48 1 . . . . . . . 3.38 1 1 49 1 . . . . . . . 4.26 1 1 50 1 . . . . . . . 4.56 1 1 51 1 . . . . . . . 4.8 1 1 52 1 . . . . . . . 5.5 1 1 53 1 . . . . . . . 4.85 1 1 54 1 . . . . . . . 3.93 1 1 55 1 . . . . . . . 3.89 1 1 56 1 . . . . . . . 3.54 1 1 57 1 . . . . . . . 4.15 1 1 58 1 . . . . . . . 5.44 1 1 59 1 . . . . . . . 5.18 1 1 60 1 . . . . . . . 4.48 1 1 61 1 . . . . . . . 4.77 1 1 62 1 . . . . . . . 4.05 1 1 63 1 . . . . . . . 4.35 1 1 64 1 . . . . . . . 3.21 1 1 65 1 . . . . . . . 5.5 1 1 66 1 . . . . . . . 4.24 1 1 67 1 . . . . . . . 4.43 1 1 68 1 . . . . . . . 2.83 1 1 69 1 . . . . . . . 3.07 1 1 70 1 . . . . . . . 4.4 1 1 71 1 . . . . . . . 5.4 1 1 72 1 . . . . . . . 5.48 1 1 73 1 . . . . . . . 5.5 1 1 74 1 . . . . . . . 3.5 1 1 75 1 . . . . . . . 4.97 1 1 76 1 . . . . . . . 5.3 1 1 77 1 . . . . . . . 4.65 1 1 78 1 . . . . . . . 4.58 1 1 79 1 . . . . . . . 5.5 1 1 80 1 . . . . . . . 4.27 1 1 81 1 . . . . . . . 4.41 1 1 82 1 . . . . . . . 4.69 1 1 83 1 . . . . . . . 5.22 1 1 84 1 . . . . . . . 5.5 1 1 85 1 . . . . . . . 4.82 1 1 86 1 . . . . . . . 3.22 1 1 87 1 . . . . . . . 4.05 1 1 88 1 . . . . . . . 4.22 1 1 89 1 . . . . . . . 4.31 1 1 90 1 . . . . . . . 4.56 1 1 91 1 . . . . . . . 4.72 1 1 92 1 . . . . . . . 4.25 1 1 93 1 . . . . . . . 4.17 1 1 94 1 . . . . . . . 4.47 1 1 95 1 . . . . . . . 5.19 1 1 96 1 . . . . . . . 4.38 1 1 97 1 . . . . . . . 2.94 1 1 98 1 . . . . . . . 3.67 1 1 99 1 . . . . . . . 3.34 1 1 100 1 . . . . . . . 2.96 1 1 101 1 . . . . . . . 3.31 1 1 102 1 . . . . . . . 4.78 1 1 103 1 . . . . . . . 3.0 1 1 104 1 . . . . . . . 3.45 1 1 105 1 . . . . . . . 4.82 1 1 106 1 . . . . . . . 3.88 1 1 107 1 . . . . . . . 3.66 1 1 108 1 . . . . . . . 5.38 1 1 109 1 . . . . . . . 4.74 1 1 110 1 . . . . . . . 5.38 1 1 111 1 . . . . . . . 4.02 1 1 112 1 . . . . . . . 4.68 1 1 113 1 . . . . . . . 5.5 1 1 114 1 . . . . . . . 4.74 1 1 115 1 . . . . . . . 4.13 1 1 116 1 . . . . . . . 4.74 1 1 117 1 . . . . . . . 3.49 1 1 118 1 . . . . . . . 3.67 1 1 119 1 . . . . . . . 2.43 1 1 120 1 . . . . . . . 3.43 1 1 121 1 . . . . . . . 5.5 1 1 122 1 . . . . . . . 5.5 1 1 123 1 . . . . . . . 3.12 1 1 124 1 . . . . . . . 4.16 1 1 125 1 . . . . . . . 4.77 1 1 126 1 . . . . . . . 5.5 1 1 127 1 . . . . . . . 4.76 1 1 128 1 . . . . . . . 3.78 1 1 129 1 . . . . . . . 3.37 1 1 130 1 . . . . . . . 3.51 1 1 131 1 . . . . . . . 4.05 1 1 132 1 . . . . . . . 3.19 1 1 133 1 . . . . . . . 3.45 1 1 134 1 . . . . . . . 3.52 1 1 135 1 . . . . . . . 4.61 1 1 136 1 . . . . . . . 5.5 1 1 137 1 . . . . . . . 5.4 1 1 138 1 . . . . . . . 3.37 1 1 139 1 . . . . . . . 3.67 1 1 140 1 . . . . . . . 5.5 1 1 141 1 . . . . . . . 5.12 1 1 142 1 . . . . . . . 3.62 1 1 143 1 . . . . . . . 4.91 1 1 144 1 . . . . . . . 5.02 1 1 145 1 . . . . . . . 3.04 1 1 146 1 . . . . . . . 3.88 1 1 147 1 . . . . . . . 4.76 1 1 148 1 . . . . . . . 4.16 1 1 149 1 . . . . . . . 4.13 1 1 150 1 . . . . . . . 4.04 1 1 151 1 . . . . . . . 3.06 1 1 152 1 . . . . . . . 3.67 1 1 153 1 . . . . . . . 4.58 1 1 154 1 . . . . . . . 3.35 1 1 155 1 . . . . . . . 3.76 1 1 156 1 . . . . . . . 4.61 1 1 157 1 . . . . . . . 5.08 1 1 158 1 . . . . . . . 3.23 1 1 159 1 . . . . . . . 3.32 1 1 160 1 . . . . . . . 3.65 1 1 161 1 . . . . . . . 5.0 1 1 162 1 . . . . . . . 4.8 1 1 163 1 . . . . . . . 5.17 1 1 164 1 . . . . . . . 4.92 1 1 165 1 . . . . . . . 4.34 1 1 166 1 . . . . . . . 3.76 1 1 167 1 . . . . . . . 3.95 1 1 168 1 . . . . . . . 3.23 1 1 169 1 . . . . . . . 3.95 1 1 170 1 . . . . . . . 3.75 1 1 171 1 . . . . . . . 4.17 1 1 172 1 . . . . . . . 3.63 1 1 173 1 . . . . . . . 4.17 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 GLY C C -0.055 9.434 3.195 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -0.333 10.774 2.544 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -2.133 10.299 1.763 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -1.415 11.575 1.040 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -0.885 10.060 0.738 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H 0.529 11.151 2.205 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -0.719 11.390 3.230 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -1.264 10.669 1.435 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O 1.042 9.197 3.699 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 ASN C C 0.175 6.428 3.073 1.00 . A A . 2 ASN C 1 1 1 11 1 1 2 ASN CA C -0.909 7.232 3.784 1.00 . A A . 2 ASN CA 1 1 1 12 1 1 2 ASN CB C -2.239 6.478 3.726 1.00 . A A . 2 ASN CB 1 1 1 13 1 1 2 ASN CG C -3.093 6.715 4.957 1.00 . A A . 2 ASN CG 1 1 1 14 1 1 2 ASN H H -1.921 8.807 2.761 1.00 . A A . 2 ASN H 1 1 1 15 1 1 2 ASN HA H -0.596 7.371 4.724 1.00 . A A . 2 ASN HA 1 1 1 16 1 1 2 ASN HB2 H -2.746 6.783 2.920 1.00 . A A . 2 ASN HB2 1 1 1 17 1 1 2 ASN HB3 H -2.050 5.499 3.650 1.00 . A A . 2 ASN HB3 1 1 1 18 1 1 2 ASN HD21 H -3.901 8.373 4.128 1.00 . A A . 2 ASN HD21 1 1 1 19 1 1 2 ASN HD22 H -4.471 7.984 5.717 1.00 . A A . 2 ASN HD22 1 1 1 20 1 1 2 ASN N N -1.052 8.555 3.187 1.00 . A A . 2 ASN N 1 1 1 21 1 1 2 ASN ND2 N -3.887 7.778 4.932 1.00 . A A . 2 ASN ND2 1 1 1 22 1 1 2 ASN O O 0.798 6.907 2.125 1.00 . A A . 2 ASN O 1 1 1 23 1 1 2 ASN OD1 O -3.038 5.951 5.921 1.00 . A A . 2 ASN OD1 1 1 1 24 1 1 3 HIS C C 0.856 3.627 1.709 1.00 . A A . 3 HIS C 1 1 1 25 1 1 3 HIS CA C 1.404 4.330 2.945 1.00 . A A . 3 HIS CA 1 1 1 26 1 1 3 HIS CB C 1.878 3.294 3.966 1.00 . A A . 3 HIS CB 1 1 1 27 1 1 3 HIS CD2 C 4.225 2.301 3.469 1.00 . A A . 3 HIS CD2 1 1 1 28 1 1 3 HIS CE1 C 5.401 3.682 4.697 1.00 . A A . 3 HIS CE1 1 1 1 29 1 1 3 HIS CG C 3.375 3.186 4.062 1.00 . A A . 3 HIS CG 1 1 1 30 1 1 3 HIS H H -0.142 4.870 4.313 1.00 . A A . 3 HIS H 1 1 1 31 1 1 3 HIS HA H 2.177 4.898 2.661 1.00 . A A . 3 HIS HA 1 1 1 32 1 1 3 HIS HB2 H 1.522 3.548 4.865 1.00 . A A . 3 HIS HB2 1 1 1 33 1 1 3 HIS HB3 H 1.514 2.400 3.704 1.00 . A A . 3 HIS HB3 1 1 1 34 1 1 3 HIS HD2 H 3.973 1.555 2.852 1.00 . A A . 3 HIS HD2 1 1 1 35 1 1 3 HIS HE1 H 6.175 4.131 5.143 1.00 . A A . 3 HIS HE1 1 1 1 36 1 1 3 HIS HE2 H 6.363 2.180 3.633 1.00 . A A . 3 HIS HE2 1 1 1 37 1 1 3 HIS N N 0.396 5.202 3.538 1.00 . A A . 3 HIS N 1 1 1 38 1 1 3 HIS ND1 N 4.135 4.050 4.833 1.00 . A A . 3 HIS ND1 1 1 1 39 1 1 3 HIS NE2 N 5.505 2.629 3.882 1.00 . A A . 3 HIS NE2 1 1 1 40 1 1 3 HIS O O -0.228 3.956 1.225 1.00 . A A . 3 HIS O 1 1 1 41 1 1 4 TRP C C 0.847 0.471 0.381 1.00 . A A . 4 TRP C 1 1 1 42 1 1 4 TRP CA C 1.199 1.910 0.019 1.00 . A A . 4 TRP CA 1 1 1 43 1 1 4 TRP CB C 2.309 1.927 -1.033 1.00 . A A . 4 TRP CB 1 1 1 44 1 1 4 TRP CD1 C 4.563 2.275 0.138 1.00 . A A . 4 TRP CD1 1 1 1 45 1 1 4 TRP CD2 C 4.200 0.176 -0.554 1.00 . A A . 4 TRP CD2 1 1 1 46 1 1 4 TRP CE2 C 5.462 0.232 0.068 1.00 . A A . 4 TRP CE2 1 1 1 47 1 1 4 TRP CE3 C 3.756 -1.045 -1.068 1.00 . A A . 4 TRP CE3 1 1 1 48 1 1 4 TRP CG C 3.641 1.493 -0.498 1.00 . A A . 4 TRP CG 1 1 1 49 1 1 4 TRP CH2 C 5.823 -2.068 -0.326 1.00 . A A . 4 TRP CH2 1 1 1 50 1 1 4 TRP CZ2 C 6.283 -0.886 0.187 1.00 . A A . 4 TRP CZ2 1 1 1 51 1 1 4 TRP CZ3 C 4.572 -2.153 -0.949 1.00 . A A . 4 TRP CZ3 1 1 1 52 1 1 4 TRP H H 2.481 2.438 1.640 1.00 . A A . 4 TRP H 1 1 1 53 1 1 4 TRP HA H 0.368 2.341 -0.333 1.00 . A A . 4 TRP HA 1 1 1 54 1 1 4 TRP HB2 H 2.053 1.311 -1.778 1.00 . A A . 4 TRP HB2 1 1 1 55 1 1 4 TRP HB3 H 2.400 2.858 -1.387 1.00 . A A . 4 TRP HB3 1 1 1 56 1 1 4 TRP HD1 H 4.455 3.251 0.327 1.00 . A A . 4 TRP HD1 1 1 1 57 1 1 4 TRP HE1 H 6.474 1.861 0.955 1.00 . A A . 4 TRP HE1 1 1 1 58 1 1 4 TRP HE3 H 2.864 -1.117 -1.514 1.00 . A A . 4 TRP HE3 1 1 1 59 1 1 4 TRP HH2 H 6.390 -2.889 -0.256 1.00 . A A . 4 TRP HH2 1 1 1 60 1 1 4 TRP HZ2 H 7.176 -0.823 0.632 1.00 . A A . 4 TRP HZ2 1 1 1 61 1 1 4 TRP HZ3 H 4.263 -3.031 -1.315 1.00 . A A . 4 TRP HZ3 1 1 1 62 1 1 4 TRP N N 1.610 2.659 1.201 1.00 . A A . 4 TRP N 1 1 1 63 1 1 4 TRP NE1 N 5.661 1.523 0.481 1.00 . A A . 4 TRP NE1 1 1 1 64 1 1 4 TRP O O -0.177 -0.054 -0.052 1.00 . A A . 4 TRP O 1 1 1 65 1 1 5 ALA C C 0.094 -1.705 2.214 1.00 . A A . 5 ALA C 1 1 1 66 1 1 5 ALA CA C 1.480 -1.537 1.601 1.00 . A A . 5 ALA CA 1 1 1 67 1 1 5 ALA CB C 2.552 -1.965 2.591 1.00 . A A . 5 ALA CB 1 1 1 68 1 1 5 ALA H H 2.520 0.322 1.495 1.00 . A A . 5 ALA H 1 1 1 69 1 1 5 ALA HA H 1.542 -2.128 0.797 1.00 . A A . 5 ALA HA 1 1 1 70 1 1 5 ALA HB1 H 2.522 -1.366 3.391 1.00 . A A . 5 ALA HB1 1 1 1 71 1 1 5 ALA HB2 H 2.391 -2.910 2.876 1.00 . A A . 5 ALA HB2 1 1 1 72 1 1 5 ALA HB3 H 3.450 -1.896 2.157 1.00 . A A . 5 ALA HB3 1 1 1 73 1 1 5 ALA N N 1.703 -0.160 1.178 1.00 . A A . 5 ALA N 1 1 1 74 1 1 5 ALA O O -0.494 -2.785 2.156 1.00 . A A . 5 ALA O 1 1 1 75 1 1 6 VAL C C -2.789 -1.216 2.468 1.00 . A A . 6 VAL C 1 1 1 76 1 1 6 VAL CA C -1.742 -0.660 3.425 1.00 . A A . 6 VAL CA 1 1 1 77 1 1 6 VAL CB C -2.173 0.742 3.887 1.00 . A A . 6 VAL CB 1 1 1 78 1 1 6 VAL CG1 C -1.222 1.275 4.948 1.00 . A A . 6 VAL CG1 1 1 1 79 1 1 6 VAL CG2 C -2.250 1.694 2.702 1.00 . A A . 6 VAL CG2 1 1 1 80 1 1 6 VAL H H 0.105 0.218 2.818 1.00 . A A . 6 VAL H 1 1 1 81 1 1 6 VAL HA H -1.693 -1.274 4.213 1.00 . A A . 6 VAL HA 1 1 1 82 1 1 6 VAL HB H -3.077 0.658 4.307 1.00 . A A . 6 VAL HB 1 1 1 83 1 1 6 VAL HG11 H -0.296 1.335 4.575 1.00 . A A . 6 VAL HG11 1 1 1 84 1 1 6 VAL HG12 H -1.529 2.185 5.227 1.00 . A A . 6 VAL HG12 1 1 1 85 1 1 6 VAL HG13 H -1.223 0.666 5.741 1.00 . A A . 6 VAL HG13 1 1 1 86 1 1 6 VAL HG21 H -2.918 1.354 2.040 1.00 . A A . 6 VAL HG21 1 1 1 87 1 1 6 VAL HG22 H -2.531 2.597 3.026 1.00 . A A . 6 VAL HG22 1 1 1 88 1 1 6 VAL HG23 H -1.353 1.761 2.265 1.00 . A A . 6 VAL HG23 1 1 1 89 1 1 6 VAL N N -0.423 -0.631 2.802 1.00 . A A . 6 VAL N 1 1 1 90 1 1 6 VAL O O -3.772 -1.825 2.891 1.00 . A A . 6 VAL O 1 1 1 91 1 1 7 GLY C C -2.861 -2.432 -0.815 1.00 . A A . 7 GLY C 1 1 1 92 1 1 7 GLY CA C -3.509 -1.486 0.176 1.00 . A A . 7 GLY CA 1 1 1 93 1 1 7 GLY H H -1.758 -0.501 0.885 1.00 . A A . 7 GLY H 1 1 1 94 1 1 7 GLY HA2 H -4.253 -1.967 0.640 1.00 . A A . 7 GLY HA2 1 1 1 95 1 1 7 GLY HA3 H -3.879 -0.703 -0.323 1.00 . A A . 7 GLY HA3 1 1 1 96 1 1 7 GLY N N -2.574 -1.002 1.174 1.00 . A A . 7 GLY N 1 1 1 97 1 1 7 GLY O O -3.509 -3.345 -1.329 1.00 . A A . 7 GLY O 1 1 1 98 1 1 8 HIS C C -0.466 -4.386 -1.381 1.00 . A A . 8 HIS C 1 1 1 99 1 1 8 HIS CA C -0.841 -3.055 -2.024 1.00 . A A . 8 HIS CA 1 1 1 100 1 1 8 HIS CB C 0.417 -2.334 -2.505 1.00 . A A . 8 HIS CB 1 1 1 101 1 1 8 HIS CD2 C -0.584 -1.571 -4.777 1.00 . A A . 8 HIS CD2 1 1 1 102 1 1 8 HIS CE1 C 1.208 -1.852 -6.004 1.00 . A A . 8 HIS CE1 1 1 1 103 1 1 8 HIS CG C 0.420 -2.033 -3.979 1.00 . A A . 8 HIS CG 1 1 1 104 1 1 8 HIS H H -1.105 -1.457 -0.636 1.00 . A A . 8 HIS H 1 1 1 105 1 1 8 HIS HA H -1.437 -3.245 -2.804 1.00 . A A . 8 HIS HA 1 1 1 106 1 1 8 HIS HB2 H 0.496 -1.470 -2.008 1.00 . A A . 8 HIS HB2 1 1 1 107 1 1 8 HIS HB3 H 1.209 -2.909 -2.301 1.00 . A A . 8 HIS HB3 1 1 1 108 1 1 8 HIS HD2 H -1.517 -1.352 -4.492 1.00 . A A . 8 HIS HD2 1 1 1 109 1 1 8 HIS HE1 H 1.826 -1.875 -6.790 1.00 . A A . 8 HIS HE1 1 1 1 110 1 1 8 HIS HE2 H -0.539 -1.153 -6.883 1.00 . A A . 8 HIS HE2 1 1 1 111 1 1 8 HIS N N -1.577 -2.215 -1.086 1.00 . A A . 8 HIS N 1 1 1 112 1 1 8 HIS ND1 N 1.543 -2.204 -4.771 1.00 . A A . 8 HIS ND1 1 1 1 113 1 1 8 HIS NE2 N -0.068 -1.462 -6.057 1.00 . A A . 8 HIS NE2 1 1 1 114 1 1 8 HIS O O -0.176 -5.362 -2.074 1.00 . A A . 8 HIS O 1 1 1 115 1 1 9 LEU C C -1.280 -6.056 1.594 1.00 . A A . 9 LEU C 1 1 1 116 1 1 9 LEU CA C -0.132 -5.632 0.684 1.00 . A A . 9 LEU CA 1 1 1 117 1 1 9 LEU CB C 1.135 -5.410 1.513 1.00 . A A . 9 LEU CB 1 1 1 118 1 1 9 LEU CD1 C 3.633 -5.330 1.705 1.00 . A A . 9 LEU CD1 1 1 1 119 1 1 9 LEU CD2 C 2.547 -7.062 0.264 1.00 . A A . 9 LEU CD2 1 1 1 120 1 1 9 LEU CG C 2.461 -5.636 0.785 1.00 . A A . 9 LEU CG 1 1 1 121 1 1 9 LEU H H -0.715 -3.592 0.454 1.00 . A A . 9 LEU H 1 1 1 122 1 1 9 LEU HA H 0.030 -6.365 0.023 1.00 . A A . 9 LEU HA 1 1 1 123 1 1 9 LEU HB2 H 1.124 -4.466 1.842 1.00 . A A . 9 LEU HB2 1 1 1 124 1 1 9 LEU HB3 H 1.104 -6.035 2.293 1.00 . A A . 9 LEU HB3 1 1 1 125 1 1 9 LEU HD11 H 3.585 -4.376 2.002 1.00 . A A . 9 LEU HD11 1 1 1 126 1 1 9 LEU HD12 H 3.596 -5.930 2.504 1.00 . A A . 9 LEU HD12 1 1 1 127 1 1 9 LEU HD13 H 4.490 -5.483 1.213 1.00 . A A . 9 LEU HD13 1 1 1 128 1 1 9 LEU HD21 H 1.789 -7.224 -0.368 1.00 . A A . 9 LEU HD21 1 1 1 129 1 1 9 LEU HD22 H 3.415 -7.208 -0.212 1.00 . A A . 9 LEU HD22 1 1 1 130 1 1 9 LEU HD23 H 2.479 -7.695 1.035 1.00 . A A . 9 LEU HD23 1 1 1 131 1 1 9 LEU HG H 2.503 -5.035 -0.013 1.00 . A A . 9 LEU HG 1 1 1 132 1 1 9 LEU N N -0.472 -4.419 -0.053 1.00 . A A . 9 LEU N 1 1 1 133 1 1 9 LEU O O -1.961 -7.046 1.328 1.00 . A A . 9 LEU O 1 1 1 134 1 1 10 MET C C -3.677 -4.563 3.511 1.00 . A A . 10 MET C 1 1 1 135 1 1 10 MET CA C -2.560 -5.596 3.612 1.00 . A A . 10 MET CA 1 1 1 136 1 1 10 MET CB C -2.010 -5.632 5.040 1.00 . A A . 10 MET CB 1 1 1 137 1 1 10 MET CE C 0.833 -2.718 5.958 1.00 . A A . 10 MET CE 1 1 1 138 1 1 10 MET CG C -1.375 -4.323 5.480 1.00 . A A . 10 MET CG 1 1 1 139 1 1 10 MET H H -0.901 -4.509 2.827 1.00 . A A . 10 MET H 1 1 1 140 1 1 10 MET HA H -2.945 -6.487 3.370 1.00 . A A . 10 MET HA 1 1 1 141 1 1 10 MET HB2 H -2.762 -5.843 5.664 1.00 . A A . 10 MET HB2 1 1 1 142 1 1 10 MET HB3 H -1.319 -6.352 5.095 1.00 . A A . 10 MET HB3 1 1 1 143 1 1 10 MET HE1 H 0.344 -1.990 5.476 1.00 . A A . 10 MET HE1 1 1 1 144 1 1 10 MET HE2 H 0.562 -2.721 6.921 1.00 . A A . 10 MET HE2 1 1 1 145 1 1 10 MET HE3 H 1.818 -2.560 5.889 1.00 . A A . 10 MET HE3 1 1 1 146 1 1 10 MET HG2 H -1.790 -3.580 4.955 1.00 . A A . 10 MET HG2 1 1 1 147 1 1 10 MET HG3 H -1.566 -4.192 6.453 1.00 . A A . 10 MET HG3 1 1 1 148 1 1 10 MET N N -1.490 -5.300 2.665 1.00 . A A . 10 MET N 1 1 1 149 1 1 10 MET O O -4.391 -4.308 4.482 1.00 . A A . 10 MET O 1 1 1 150 1 1 10 MET SD S 0.410 -4.296 5.224 1.00 . A A . 10 MET SD 1 1 2 151 1 1 1 GLY C C -0.104 9.488 3.401 1.00 . A A . 1 GLY C 1 1 2 152 1 1 1 GLY CA C -0.359 10.833 2.751 1.00 . A A . 1 GLY CA 1 1 2 153 1 1 1 GLY H1 H 1.348 11.725 3.353 1.00 . A A . 1 GLY H1 1 1 2 154 1 1 1 GLY H2 H 0.166 12.772 2.937 1.00 . A A . 1 GLY H2 1 1 2 155 1 1 1 GLY H3 H 0.084 11.971 4.357 1.00 . A A . 1 GLY H3 1 1 2 156 1 1 1 GLY HA2 H -1.338 11.032 2.798 1.00 . A A . 1 GLY HA2 1 1 2 157 1 1 1 GLY HA3 H -0.074 10.786 1.794 1.00 . A A . 1 GLY HA3 1 1 2 158 1 1 1 GLY N N 0.366 11.909 3.400 1.00 . A A . 1 GLY N 1 1 2 159 1 1 1 GLY O O 0.920 9.290 4.053 1.00 . A A . 1 GLY O 1 1 2 160 1 1 2 ASN C C 0.179 6.430 3.094 1.00 . A A . 2 ASN C 1 1 2 161 1 1 2 ASN CA C -0.912 7.227 3.801 1.00 . A A . 2 ASN CA 1 1 2 162 1 1 2 ASN CB C -2.245 6.481 3.712 1.00 . A A . 2 ASN CB 1 1 2 163 1 1 2 ASN CG C -3.116 6.704 4.934 1.00 . A A . 2 ASN CG 1 1 2 164 1 1 2 ASN H H -1.850 8.783 2.684 1.00 . A A . 2 ASN H 1 1 2 165 1 1 2 ASN HA H -0.614 7.348 4.748 1.00 . A A . 2 ASN HA 1 1 2 166 1 1 2 ASN HB2 H -2.738 6.801 2.903 1.00 . A A . 2 ASN HB2 1 1 2 167 1 1 2 ASN HB3 H -2.060 5.502 3.624 1.00 . A A . 2 ASN HB3 1 1 2 168 1 1 2 ASN HD21 H -2.228 5.162 5.896 1.00 . A A . 2 ASN HD21 1 1 2 169 1 1 2 ASN HD22 H -3.465 5.981 6.791 1.00 . A A . 2 ASN HD22 1 1 2 170 1 1 2 ASN N N -1.039 8.561 3.225 1.00 . A A . 2 ASN N 1 1 2 171 1 1 2 ASN ND2 N -2.920 5.881 5.958 1.00 . A A . 2 ASN ND2 1 1 2 172 1 1 2 ASN O O 0.818 6.922 2.163 1.00 . A A . 2 ASN O 1 1 2 173 1 1 2 ASN OD1 O -3.953 7.605 4.956 1.00 . A A . 2 ASN OD1 1 1 2 174 1 1 3 HIS C C 0.853 3.623 1.708 1.00 . A A . 3 HIS C 1 1 2 175 1 1 3 HIS CA C 1.398 4.328 2.947 1.00 . A A . 3 HIS CA 1 1 2 176 1 1 3 HIS CB C 1.876 3.292 3.966 1.00 . A A . 3 HIS CB 1 1 2 177 1 1 3 HIS CD2 C 4.242 2.329 3.499 1.00 . A A . 3 HIS CD2 1 1 2 178 1 1 3 HIS CE1 C 5.385 3.731 4.730 1.00 . A A . 3 HIS CE1 1 1 2 179 1 1 3 HIS CG C 3.373 3.205 4.078 1.00 . A A . 3 HIS CG 1 1 2 180 1 1 3 HIS H H -0.166 4.852 4.299 1.00 . A A . 3 HIS H 1 1 2 181 1 1 3 HIS HA H 2.169 4.899 2.665 1.00 . A A . 3 HIS HA 1 1 2 182 1 1 3 HIS HB2 H 1.507 3.535 4.863 1.00 . A A . 3 HIS HB2 1 1 2 183 1 1 3 HIS HB3 H 1.528 2.395 3.694 1.00 . A A . 3 HIS HB3 1 1 2 184 1 1 3 HIS HD2 H 4.007 1.577 2.884 1.00 . A A . 3 HIS HD2 1 1 2 185 1 1 3 HIS HE1 H 6.149 4.193 5.182 1.00 . A A . 3 HIS HE1 1 1 2 186 1 1 3 HIS HE2 H 6.378 2.238 3.685 1.00 . A A . 3 HIS HE2 1 1 2 187 1 1 3 HIS N N 0.386 5.195 3.539 1.00 . A A . 3 HIS N 1 1 2 188 1 1 3 HIS ND1 N 4.113 4.083 4.852 1.00 . A A . 3 HIS ND1 1 1 2 189 1 1 3 HIS NE2 N 5.511 2.677 3.923 1.00 . A A . 3 HIS NE2 1 1 2 190 1 1 3 HIS O O -0.231 3.948 1.223 1.00 . A A . 3 HIS O 1 1 2 191 1 1 4 TRP C C 0.851 0.471 0.379 1.00 . A A . 4 TRP C 1 1 2 192 1 1 4 TRP CA C 1.205 1.909 0.017 1.00 . A A . 4 TRP CA 1 1 2 193 1 1 4 TRP CB C 2.319 1.925 -1.030 1.00 . A A . 4 TRP CB 1 1 2 194 1 1 4 TRP CD1 C 4.569 2.282 0.144 1.00 . A A . 4 TRP CD1 1 1 2 195 1 1 4 TRP CD2 C 4.208 0.177 -0.535 1.00 . A A . 4 TRP CD2 1 1 2 196 1 1 4 TRP CE2 C 5.469 0.238 0.089 1.00 . A A . 4 TRP CE2 1 1 2 197 1 1 4 TRP CE3 C 3.766 -1.047 -1.042 1.00 . A A . 4 TRP CE3 1 1 2 198 1 1 4 TRP CG C 3.650 1.495 -0.489 1.00 . A A . 4 TRP CG 1 1 2 199 1 1 4 TRP CH2 C 5.832 -2.066 -0.287 1.00 . A A . 4 TRP CH2 1 1 2 200 1 1 4 TRP CZ2 C 6.290 -0.880 0.218 1.00 . A A . 4 TRP CZ2 1 1 2 201 1 1 4 TRP CZ3 C 4.581 -2.155 -0.913 1.00 . A A . 4 TRP CZ3 1 1 2 202 1 1 4 TRP H H 2.484 2.442 1.639 1.00 . A A . 4 TRP H 1 1 2 203 1 1 4 TRP HA H 0.376 2.340 -0.339 1.00 . A A . 4 TRP HA 1 1 2 204 1 1 4 TRP HB2 H 2.067 1.306 -1.774 1.00 . A A . 4 TRP HB2 1 1 2 205 1 1 4 TRP HB3 H 2.409 2.855 -1.386 1.00 . A A . 4 TRP HB3 1 1 2 206 1 1 4 TRP HD1 H 4.460 3.259 0.326 1.00 . A A . 4 TRP HD1 1 1 2 207 1 1 4 TRP HE1 H 6.479 1.873 0.967 1.00 . A A . 4 TRP HE1 1 1 2 208 1 1 4 TRP HE3 H 2.875 -1.121 -1.491 1.00 . A A . 4 TRP HE3 1 1 2 209 1 1 4 TRP HH2 H 6.398 -2.887 -0.210 1.00 . A A . 4 TRP HH2 1 1 2 210 1 1 4 TRP HZ2 H 7.182 -0.813 0.665 1.00 . A A . 4 TRP HZ2 1 1 2 211 1 1 4 TRP HZ3 H 4.272 -3.036 -1.273 1.00 . A A . 4 TRP HZ3 1 1 2 212 1 1 4 TRP N N 1.612 2.659 1.200 1.00 . A A . 4 TRP N 1 1 2 213 1 1 4 TRP NE1 N 5.667 1.532 0.494 1.00 . A A . 4 TRP NE1 1 1 2 214 1 1 4 TRP O O -0.174 -0.054 -0.056 1.00 . A A . 4 TRP O 1 1 2 215 1 1 5 ALA C C 0.096 -1.706 2.213 1.00 . A A . 5 ALA C 1 1 2 216 1 1 5 ALA CA C 1.481 -1.538 1.600 1.00 . A A . 5 ALA CA 1 1 2 217 1 1 5 ALA CB C 2.554 -1.969 2.588 1.00 . A A . 5 ALA CB 1 1 2 218 1 1 5 ALA H H 2.521 0.320 1.497 1.00 . A A . 5 ALA H 1 1 2 219 1 1 5 ALA HA H 1.543 -2.128 0.795 1.00 . A A . 5 ALA HA 1 1 2 220 1 1 5 ALA HB1 H 2.526 -1.371 3.389 1.00 . A A . 5 ALA HB1 1 1 2 221 1 1 5 ALA HB2 H 2.393 -2.914 2.872 1.00 . A A . 5 ALA HB2 1 1 2 222 1 1 5 ALA HB3 H 3.452 -1.900 2.152 1.00 . A A . 5 ALA HB3 1 1 2 223 1 1 5 ALA N N 1.705 -0.161 1.178 1.00 . A A . 5 ALA N 1 1 2 224 1 1 5 ALA O O -0.494 -2.784 2.158 1.00 . A A . 5 ALA O 1 1 2 225 1 1 6 VAL C C -2.787 -1.211 2.469 1.00 . A A . 6 VAL C 1 1 2 226 1 1 6 VAL CA C -1.739 -0.656 3.425 1.00 . A A . 6 VAL CA 1 1 2 227 1 1 6 VAL CB C -2.169 0.747 3.888 1.00 . A A . 6 VAL CB 1 1 2 228 1 1 6 VAL CG1 C -1.216 1.277 4.947 1.00 . A A . 6 VAL CG1 1 1 2 229 1 1 6 VAL CG2 C -2.243 1.698 2.702 1.00 . A A . 6 VAL CG2 1 1 2 230 1 1 6 VAL H H 0.109 0.219 2.816 1.00 . A A . 6 VAL H 1 1 2 231 1 1 6 VAL HA H -1.690 -1.270 4.213 1.00 . A A . 6 VAL HA 1 1 2 232 1 1 6 VAL HB H -3.072 0.664 4.309 1.00 . A A . 6 VAL HB 1 1 2 233 1 1 6 VAL HG11 H -0.291 1.336 4.572 1.00 . A A . 6 VAL HG11 1 1 2 234 1 1 6 VAL HG12 H -1.522 2.187 5.226 1.00 . A A . 6 VAL HG12 1 1 2 235 1 1 6 VAL HG13 H -1.216 0.667 5.740 1.00 . A A . 6 VAL HG13 1 1 2 236 1 1 6 VAL HG21 H -2.911 1.359 2.039 1.00 . A A . 6 VAL HG21 1 1 2 237 1 1 6 VAL HG22 H -2.524 2.602 3.026 1.00 . A A . 6 VAL HG22 1 1 2 238 1 1 6 VAL HG23 H -1.345 1.764 2.266 1.00 . A A . 6 VAL HG23 1 1 2 239 1 1 6 VAL N N -0.420 -0.629 2.801 1.00 . A A . 6 VAL N 1 1 2 240 1 1 6 VAL O O -3.771 -1.816 2.892 1.00 . A A . 6 VAL O 1 1 2 241 1 1 7 GLY C C -2.861 -2.430 -0.814 1.00 . A A . 7 GLY C 1 1 2 242 1 1 7 GLY CA C -3.508 -1.483 0.177 1.00 . A A . 7 GLY CA 1 1 2 243 1 1 7 GLY H H -1.757 -0.499 0.884 1.00 . A A . 7 GLY H 1 1 2 244 1 1 7 GLY HA2 H -4.252 -1.964 0.641 1.00 . A A . 7 GLY HA2 1 1 2 245 1 1 7 GLY HA3 H -3.878 -0.700 -0.323 1.00 . A A . 7 GLY HA3 1 1 2 246 1 1 7 GLY N N -2.573 -0.999 1.174 1.00 . A A . 7 GLY N 1 1 2 247 1 1 7 GLY O O -3.511 -3.342 -1.327 1.00 . A A . 7 GLY O 1 1 2 248 1 1 8 HIS C C -0.468 -4.387 -1.380 1.00 . A A . 8 HIS C 1 1 2 249 1 1 8 HIS CA C -0.843 -3.056 -2.023 1.00 . A A . 8 HIS CA 1 1 2 250 1 1 8 HIS CB C 0.414 -2.336 -2.509 1.00 . A A . 8 HIS CB 1 1 2 251 1 1 8 HIS CD2 C -0.615 -1.665 -4.796 1.00 . A A . 8 HIS CD2 1 1 2 252 1 1 8 HIS CE1 C 1.216 -1.780 -5.993 1.00 . A A . 8 HIS CE1 1 1 2 253 1 1 8 HIS CG C 0.413 -2.034 -3.982 1.00 . A A . 8 HIS CG 1 1 2 254 1 1 8 HIS H H -1.105 -1.456 -0.637 1.00 . A A . 8 HIS H 1 1 2 255 1 1 8 HIS HA H -1.439 -3.246 -2.803 1.00 . A A . 8 HIS HA 1 1 2 256 1 1 8 HIS HB2 H 0.496 -1.472 -2.012 1.00 . A A . 8 HIS HB2 1 1 2 257 1 1 8 HIS HB3 H 1.206 -2.912 -2.308 1.00 . A A . 8 HIS HB3 1 1 2 258 1 1 8 HIS HD2 H -1.569 -1.532 -4.527 1.00 . A A . 8 HIS HD2 1 1 2 259 1 1 8 HIS HE1 H 1.846 -1.745 -6.768 1.00 . A A . 8 HIS HE1 1 1 2 260 1 1 8 HIS HE2 H -0.574 -1.242 -6.901 1.00 . A A . 8 HIS HE2 1 1 2 261 1 1 8 HIS N N -1.578 -2.214 -1.086 1.00 . A A . 8 HIS N 1 1 2 262 1 1 8 HIS ND1 N 1.560 -2.102 -4.755 1.00 . A A . 8 HIS ND1 1 1 2 263 1 1 8 HIS NE2 N -0.090 -1.508 -6.067 1.00 . A A . 8 HIS NE2 1 1 2 264 1 1 8 HIS O O -0.177 -5.364 -2.071 1.00 . A A . 8 HIS O 1 1 2 265 1 1 9 LEU C C -1.282 -6.052 1.600 1.00 . A A . 9 LEU C 1 1 2 266 1 1 9 LEU CA C -0.134 -5.630 0.687 1.00 . A A . 9 LEU CA 1 1 2 267 1 1 9 LEU CB C 1.134 -5.408 1.513 1.00 . A A . 9 LEU CB 1 1 2 268 1 1 9 LEU CD1 C 3.633 -5.330 1.700 1.00 . A A . 9 LEU CD1 1 1 2 269 1 1 9 LEU CD2 C 2.543 -7.063 0.264 1.00 . A A . 9 LEU CD2 1 1 2 270 1 1 9 LEU CG C 2.459 -5.635 0.783 1.00 . A A . 9 LEU CG 1 1 2 271 1 1 9 LEU H H -0.723 -3.593 0.455 1.00 . A A . 9 LEU H 1 1 2 272 1 1 9 LEU HA H 0.027 -6.364 0.027 1.00 . A A . 9 LEU HA 1 1 2 273 1 1 9 LEU HB2 H 1.124 -4.464 1.841 1.00 . A A . 9 LEU HB2 1 1 2 274 1 1 9 LEU HB3 H 1.105 -6.032 2.293 1.00 . A A . 9 LEU HB3 1 1 2 275 1 1 9 LEU HD11 H 3.586 -4.376 1.997 1.00 . A A . 9 LEU HD11 1 1 2 276 1 1 9 LEU HD12 H 3.597 -5.930 2.499 1.00 . A A . 9 LEU HD12 1 1 2 277 1 1 9 LEU HD13 H 4.489 -5.484 1.206 1.00 . A A . 9 LEU HD13 1 1 2 278 1 1 9 LEU HD21 H 2.476 -7.695 1.036 1.00 . A A . 9 LEU HD21 1 1 2 279 1 1 9 LEU HD22 H 1.784 -7.226 -0.366 1.00 . A A . 9 LEU HD22 1 1 2 280 1 1 9 LEU HD23 H 3.410 -7.210 -0.213 1.00 . A A . 9 LEU HD23 1 1 2 281 1 1 9 LEU HG H 2.500 -5.034 -0.015 1.00 . A A . 9 LEU HG 1 1 2 282 1 1 9 LEU N N -0.476 -4.419 -0.051 1.00 . A A . 9 LEU N 1 1 2 283 1 1 9 LEU O O -1.978 -7.028 1.325 1.00 . A A . 9 LEU O 1 1 2 284 1 1 10 MET C C -3.780 -4.772 3.337 1.00 . A A . 10 MET C 1 1 2 285 1 1 10 MET CA C -2.537 -5.605 3.636 1.00 . A A . 10 MET CA 1 1 2 286 1 1 10 MET CB C -2.062 -5.339 5.065 1.00 . A A . 10 MET CB 1 1 2 287 1 1 10 MET CE C 0.461 -2.672 6.152 1.00 . A A . 10 MET CE 1 1 2 288 1 1 10 MET CG C -1.924 -3.861 5.395 1.00 . A A . 10 MET CG 1 1 2 289 1 1 10 MET H H -0.870 -4.528 2.853 1.00 . A A . 10 MET H 1 1 2 290 1 1 10 MET HA H -2.782 -6.569 3.531 1.00 . A A . 10 MET HA 1 1 2 291 1 1 10 MET HB2 H -2.721 -5.744 5.699 1.00 . A A . 10 MET HB2 1 1 2 292 1 1 10 MET HB3 H -1.170 -5.775 5.189 1.00 . A A . 10 MET HB3 1 1 2 293 1 1 10 MET HE1 H 0.906 -3.246 5.464 1.00 . A A . 10 MET HE1 1 1 2 294 1 1 10 MET HE2 H 0.122 -1.836 5.720 1.00 . A A . 10 MET HE2 1 1 2 295 1 1 10 MET HE3 H 1.120 -2.435 6.866 1.00 . A A . 10 MET HE3 1 1 2 296 1 1 10 MET HG2 H -1.501 -3.402 4.613 1.00 . A A . 10 MET HG2 1 1 2 297 1 1 10 MET HG3 H -2.838 -3.486 5.547 1.00 . A A . 10 MET HG3 1 1 2 298 1 1 10 MET N N -1.472 -5.309 2.685 1.00 . A A . 10 MET N 1 1 2 299 1 1 10 MET O O -4.867 -5.312 3.131 1.00 . A A . 10 MET O 1 1 2 300 1 1 10 MET SD S -0.918 -3.568 6.862 1.00 . A A . 10 MET SD 1 1 3 301 1 1 1 GLY C C -0.428 9.638 3.652 1.00 . A A . 1 GLY C 1 1 3 302 1 1 1 GLY CA C -0.670 10.943 2.920 1.00 . A A . 1 GLY CA 1 1 3 303 1 1 1 GLY H1 H 0.136 10.390 1.154 1.00 . A A . 1 GLY H1 1 1 3 304 1 1 1 GLY H2 H 0.047 12.007 1.362 1.00 . A A . 1 GLY H2 1 1 3 305 1 1 1 GLY H3 H 1.186 11.144 2.153 1.00 . A A . 1 GLY H3 1 1 3 306 1 1 1 GLY HA2 H -0.556 11.699 3.565 1.00 . A A . 1 GLY HA2 1 1 3 307 1 1 1 GLY HA3 H -1.606 10.944 2.567 1.00 . A A . 1 GLY HA3 1 1 3 308 1 1 1 GLY N N 0.246 11.136 1.811 1.00 . A A . 1 GLY N 1 1 3 309 1 1 1 GLY O O 0.291 9.601 4.648 1.00 . A A . 1 GLY O 1 1 3 310 1 1 2 ASN C C 0.190 6.434 3.056 1.00 . A A . 2 ASN C 1 1 3 311 1 1 2 ASN CA C -0.883 7.250 3.772 1.00 . A A . 2 ASN CA 1 1 3 312 1 1 2 ASN CB C -2.214 6.495 3.746 1.00 . A A . 2 ASN CB 1 1 3 313 1 1 2 ASN CG C -3.052 6.759 4.983 1.00 . A A . 2 ASN CG 1 1 3 314 1 1 2 ASN H H -1.607 8.658 2.343 1.00 . A A . 2 ASN H 1 1 3 315 1 1 2 ASN HA H -0.556 7.403 4.705 1.00 . A A . 2 ASN HA 1 1 3 316 1 1 2 ASN HB2 H -2.731 6.783 2.940 1.00 . A A . 2 ASN HB2 1 1 3 317 1 1 2 ASN HB3 H -2.026 5.515 3.688 1.00 . A A . 2 ASN HB3 1 1 3 318 1 1 2 ASN HD21 H -1.659 5.883 6.160 1.00 . A A . 2 ASN HD21 1 1 3 319 1 1 2 ASN HD22 H -3.054 6.490 6.988 1.00 . A A . 2 ASN HD22 1 1 3 320 1 1 2 ASN N N -1.034 8.563 3.157 1.00 . A A . 2 ASN N 1 1 3 321 1 1 2 ASN ND2 N -2.547 6.343 6.139 1.00 . A A . 2 ASN ND2 1 1 3 322 1 1 2 ASN O O 0.793 6.896 2.088 1.00 . A A . 2 ASN O 1 1 3 323 1 1 2 ASN OD1 O -4.138 7.330 4.899 1.00 . A A . 2 ASN OD1 1 1 3 324 1 1 3 HIS C C 0.863 3.636 1.710 1.00 . A A . 3 HIS C 1 1 3 325 1 1 3 HIS CA C 1.421 4.336 2.945 1.00 . A A . 3 HIS CA 1 1 3 326 1 1 3 HIS CB C 1.889 3.296 3.965 1.00 . A A . 3 HIS CB 1 1 3 327 1 1 3 HIS CD2 C 4.229 2.281 3.485 1.00 . A A . 3 HIS CD2 1 1 3 328 1 1 3 HIS CE1 C 5.414 3.674 4.688 1.00 . A A . 3 HIS CE1 1 1 3 329 1 1 3 HIS CG C 3.385 3.180 4.062 1.00 . A A . 3 HIS CG 1 1 3 330 1 1 3 HIS H H -0.101 4.898 4.331 1.00 . A A . 3 HIS H 1 1 3 331 1 1 3 HIS HA H 2.198 4.897 2.659 1.00 . A A . 3 HIS HA 1 1 3 332 1 1 3 HIS HB2 H 1.534 3.551 4.864 1.00 . A A . 3 HIS HB2 1 1 3 333 1 1 3 HIS HB3 H 1.520 2.404 3.702 1.00 . A A . 3 HIS HB3 1 1 3 334 1 1 3 HIS HD2 H 3.972 1.527 2.881 1.00 . A A . 3 HIS HD2 1 1 3 335 1 1 3 HIS HE1 H 6.191 4.125 5.126 1.00 . A A . 3 HIS HE1 1 1 3 336 1 1 3 HIS HE2 H 6.364 2.147 3.648 1.00 . A A . 3 HIS HE2 1 1 3 337 1 1 3 HIS N N 0.422 5.217 3.540 1.00 . A A . 3 HIS N 1 1 3 338 1 1 3 HIS ND1 N 4.151 4.052 4.818 1.00 . A A . 3 HIS ND1 1 1 3 339 1 1 3 HIS NE2 N 5.510 2.607 3.891 1.00 . A A . 3 HIS NE2 1 1 3 340 1 1 3 HIS O O -0.218 3.976 1.229 1.00 . A A . 3 HIS O 1 1 3 341 1 1 4 TRP C C 0.839 0.475 0.384 1.00 . A A . 4 TRP C 1 1 3 342 1 1 4 TRP CA C 1.186 1.914 0.022 1.00 . A A . 4 TRP CA 1 1 3 343 1 1 4 TRP CB C 2.286 1.935 -1.040 1.00 . A A . 4 TRP CB 1 1 3 344 1 1 4 TRP CD1 C 4.558 2.278 0.097 1.00 . A A . 4 TRP CD1 1 1 3 345 1 1 4 TRP CD2 C 4.171 0.177 -0.571 1.00 . A A . 4 TRP CD2 1 1 3 346 1 1 4 TRP CE2 C 5.443 0.229 0.032 1.00 . A A . 4 TRP CE2 1 1 3 347 1 1 4 TRP CE3 C 3.711 -1.046 -1.069 1.00 . A A . 4 TRP CE3 1 1 3 348 1 1 4 TRP CG C 3.622 1.497 -0.520 1.00 . A A . 4 TRP CG 1 1 3 349 1 1 4 TRP CH2 C 5.783 -2.078 -0.345 1.00 . A A . 4 TRP CH2 1 1 3 350 1 1 4 TRP CZ2 C 6.258 -0.894 0.151 1.00 . A A . 4 TRP CZ2 1 1 3 351 1 1 4 TRP CZ3 C 4.521 -2.160 -0.951 1.00 . A A . 4 TRP CZ3 1 1 3 352 1 1 4 TRP H H 2.476 2.433 1.639 1.00 . A A . 4 TRP H 1 1 3 353 1 1 4 TRP HA H 0.352 2.344 -0.323 1.00 . A A . 4 TRP HA 1 1 3 354 1 1 4 TRP HB2 H 2.022 1.323 -1.785 1.00 . A A . 4 TRP HB2 1 1 3 355 1 1 4 TRP HB3 H 2.374 2.868 -1.390 1.00 . A A . 4 TRP HB3 1 1 3 356 1 1 4 TRP HD1 H 4.459 3.256 0.279 1.00 . A A . 4 TRP HD1 1 1 3 357 1 1 4 TRP HE1 H 6.476 1.861 0.891 1.00 . A A . 4 TRP HE1 1 1 3 358 1 1 4 TRP HE3 H 2.813 -1.115 -1.503 1.00 . A A . 4 TRP HE3 1 1 3 359 1 1 4 TRP HH2 H 6.345 -2.902 -0.275 1.00 . A A . 4 TRP HH2 1 1 3 360 1 1 4 TRP HZ2 H 7.157 -0.833 0.584 1.00 . A A . 4 TRP HZ2 1 1 3 361 1 1 4 TRP HZ3 H 4.201 -3.039 -1.304 1.00 . A A . 4 TRP HZ3 1 1 3 362 1 1 4 TRP N N 1.606 2.661 1.202 1.00 . A A . 4 TRP N 1 1 3 363 1 1 4 TRP NE1 N 5.655 1.523 0.431 1.00 . A A . 4 TRP NE1 1 1 3 364 1 1 4 TRP O O -0.183 -0.056 -0.051 1.00 . A A . 4 TRP O 1 1 3 365 1 1 5 ALA C C 0.091 -1.706 2.216 1.00 . A A . 5 ALA C 1 1 3 366 1 1 5 ALA CA C 1.478 -1.531 1.604 1.00 . A A . 5 ALA CA 1 1 3 367 1 1 5 ALA CB C 2.551 -1.957 2.594 1.00 . A A . 5 ALA CB 1 1 3 368 1 1 5 ALA H H 2.509 0.331 1.501 1.00 . A A . 5 ALA H 1 1 3 369 1 1 5 ALA HA H 1.544 -2.121 0.800 1.00 . A A . 5 ALA HA 1 1 3 370 1 1 5 ALA HB1 H 2.518 -1.359 3.395 1.00 . A A . 5 ALA HB1 1 1 3 371 1 1 5 ALA HB2 H 2.394 -2.903 2.878 1.00 . A A . 5 ALA HB2 1 1 3 372 1 1 5 ALA HB3 H 3.449 -1.884 2.160 1.00 . A A . 5 ALA HB3 1 1 3 373 1 1 5 ALA N N 1.695 -0.154 1.182 1.00 . A A . 5 ALA N 1 1 3 374 1 1 5 ALA O O -0.493 -2.788 2.157 1.00 . A A . 5 ALA O 1 1 3 375 1 1 6 VAL C C -2.793 -1.224 2.467 1.00 . A A . 6 VAL C 1 1 3 376 1 1 6 VAL CA C -1.749 -0.667 3.426 1.00 . A A . 6 VAL CA 1 1 3 377 1 1 6 VAL CB C -2.185 0.733 3.890 1.00 . A A . 6 VAL CB 1 1 3 378 1 1 6 VAL CG1 C -1.233 1.268 4.948 1.00 . A A . 6 VAL CG1 1 1 3 379 1 1 6 VAL CG2 C -2.269 1.684 2.705 1.00 . A A . 6 VAL CG2 1 1 3 380 1 1 6 VAL H H 0.095 0.218 2.820 1.00 . A A . 6 VAL H 1 1 3 381 1 1 6 VAL HA H -1.699 -1.283 4.212 1.00 . A A . 6 VAL HA 1 1 3 382 1 1 6 VAL HB H -3.087 0.645 4.313 1.00 . A A . 6 VAL HB 1 1 3 383 1 1 6 VAL HG11 H -0.309 1.332 4.572 1.00 . A A . 6 VAL HG11 1 1 3 384 1 1 6 VAL HG12 H -1.543 2.177 5.228 1.00 . A A . 6 VAL HG12 1 1 3 385 1 1 6 VAL HG13 H -1.229 0.658 5.741 1.00 . A A . 6 VAL HG13 1 1 3 386 1 1 6 VAL HG21 H -2.937 1.341 2.045 1.00 . A A . 6 VAL HG21 1 1 3 387 1 1 6 VAL HG22 H -2.554 2.586 3.030 1.00 . A A . 6 VAL HG22 1 1 3 388 1 1 6 VAL HG23 H -1.373 1.755 2.266 1.00 . A A . 6 VAL HG23 1 1 3 389 1 1 6 VAL N N -0.430 -0.633 2.804 1.00 . A A . 6 VAL N 1 1 3 390 1 1 6 VAL O O -3.776 -1.835 2.888 1.00 . A A . 6 VAL O 1 1 3 391 1 1 7 GLY C C -2.858 -2.443 -0.816 1.00 . A A . 7 GLY C 1 1 3 392 1 1 7 GLY CA C -3.510 -1.497 0.173 1.00 . A A . 7 GLY CA 1 1 3 393 1 1 7 GLY H H -1.763 -0.505 0.885 1.00 . A A . 7 GLY H 1 1 3 394 1 1 7 GLY HA2 H -4.253 -1.979 0.636 1.00 . A A . 7 GLY HA2 1 1 3 395 1 1 7 GLY HA3 H -3.881 -0.715 -0.328 1.00 . A A . 7 GLY HA3 1 1 3 396 1 1 7 GLY N N -2.577 -1.009 1.173 1.00 . A A . 7 GLY N 1 1 3 397 1 1 7 GLY O O -3.501 -3.363 -1.322 1.00 . A A . 7 GLY O 1 1 3 398 1 1 8 HIS C C -0.459 -4.386 -1.384 1.00 . A A . 8 HIS C 1 1 3 399 1 1 8 HIS CA C -0.839 -3.056 -2.029 1.00 . A A . 8 HIS CA 1 1 3 400 1 1 8 HIS CB C 0.416 -2.332 -2.513 1.00 . A A . 8 HIS CB 1 1 3 401 1 1 8 HIS CD2 C -0.601 -1.603 -4.790 1.00 . A A . 8 HIS CD2 1 1 3 402 1 1 8 HIS CE1 C 1.205 -1.818 -6.008 1.00 . A A . 8 HIS CE1 1 1 3 403 1 1 8 HIS CG C 0.414 -2.029 -3.986 1.00 . A A . 8 HIS CG 1 1 3 404 1 1 8 HIS H H -1.109 -1.453 -0.649 1.00 . A A . 8 HIS H 1 1 3 405 1 1 8 HIS HA H -1.434 -3.249 -2.809 1.00 . A A . 8 HIS HA 1 1 3 406 1 1 8 HIS HB2 H 0.495 -1.468 -2.015 1.00 . A A . 8 HIS HB2 1 1 3 407 1 1 8 HIS HB3 H 1.210 -2.906 -2.312 1.00 . A A . 8 HIS HB3 1 1 3 408 1 1 8 HIS HD2 H -1.543 -1.418 -4.510 1.00 . A A . 8 HIS HD2 1 1 3 409 1 1 8 HIS HE1 H 1.827 -1.818 -6.791 1.00 . A A . 8 HIS HE1 1 1 3 410 1 1 8 HIS HE2 H -0.565 -1.180 -6.892 1.00 . A A . 8 HIS HE2 1 1 3 411 1 1 8 HIS N N -1.577 -2.217 -1.093 1.00 . A A . 8 HIS N 1 1 3 412 1 1 8 HIS ND1 N 1.546 -2.159 -4.773 1.00 . A A . 8 HIS ND1 1 1 3 413 1 1 8 HIS NE2 N -0.085 -1.474 -6.065 1.00 . A A . 8 HIS NE2 1 1 3 414 1 1 8 HIS O O -0.166 -5.362 -2.076 1.00 . A A . 8 HIS O 1 1 3 415 1 1 9 LEU C C -1.263 -6.050 1.598 1.00 . A A . 9 LEU C 1 1 3 416 1 1 9 LEU CA C -0.118 -5.625 0.683 1.00 . A A . 9 LEU CA 1 1 3 417 1 1 9 LEU CB C 1.150 -5.399 1.507 1.00 . A A . 9 LEU CB 1 1 3 418 1 1 9 LEU CD1 C 3.649 -5.311 1.691 1.00 . A A . 9 LEU CD1 1 1 3 419 1 1 9 LEU CD2 C 2.563 -7.048 0.256 1.00 . A A . 9 LEU CD2 1 1 3 420 1 1 9 LEU CG C 2.474 -5.620 0.775 1.00 . A A . 9 LEU CG 1 1 3 421 1 1 9 LEU H H -0.711 -3.589 0.450 1.00 . A A . 9 LEU H 1 1 3 422 1 1 9 LEU HA H 0.044 -6.359 0.024 1.00 . A A . 9 LEU HA 1 1 3 423 1 1 9 LEU HB2 H 1.137 -4.455 1.836 1.00 . A A . 9 LEU HB2 1 1 3 424 1 1 9 LEU HB3 H 1.124 -6.024 2.287 1.00 . A A . 9 LEU HB3 1 1 3 425 1 1 9 LEU HD11 H 3.599 -4.358 1.988 1.00 . A A . 9 LEU HD11 1 1 3 426 1 1 9 LEU HD12 H 3.616 -5.912 2.490 1.00 . A A . 9 LEU HD12 1 1 3 427 1 1 9 LEU HD13 H 4.505 -5.461 1.196 1.00 . A A . 9 LEU HD13 1 1 3 428 1 1 9 LEU HD21 H 1.803 -7.214 -0.373 1.00 . A A . 9 LEU HD21 1 1 3 429 1 1 9 LEU HD22 H 3.429 -7.191 -0.223 1.00 . A A . 9 LEU HD22 1 1 3 430 1 1 9 LEU HD23 H 2.500 -7.680 1.029 1.00 . A A . 9 LEU HD23 1 1 3 431 1 1 9 LEU HG H 2.512 -5.018 -0.023 1.00 . A A . 9 LEU HG 1 1 3 432 1 1 9 LEU N N -0.464 -4.416 -0.056 1.00 . A A . 9 LEU N 1 1 3 433 1 1 9 LEU O O -1.969 -7.017 1.316 1.00 . A A . 9 LEU O 1 1 3 434 1 1 10 MET C C -3.790 -4.888 3.274 1.00 . A A . 10 MET C 1 1 3 435 1 1 10 MET CA C -2.503 -5.617 3.647 1.00 . A A . 10 MET CA 1 1 3 436 1 1 10 MET CB C -2.072 -5.224 5.061 1.00 . A A . 10 MET CB 1 1 3 437 1 1 10 MET CE C 0.844 -3.565 5.846 1.00 . A A . 10 MET CE 1 1 3 438 1 1 10 MET CG C -1.855 -3.730 5.237 1.00 . A A . 10 MET CG 1 1 3 439 1 1 10 MET H H -0.833 -4.542 2.867 1.00 . A A . 10 MET H 1 1 3 440 1 1 10 MET HA H -2.685 -6.599 3.604 1.00 . A A . 10 MET HA 1 1 3 441 1 1 10 MET HB2 H -2.781 -5.518 5.702 1.00 . A A . 10 MET HB2 1 1 3 442 1 1 10 MET HB3 H -1.216 -5.695 5.274 1.00 . A A . 10 MET HB3 1 1 3 443 1 1 10 MET HE1 H 0.924 -4.506 5.516 1.00 . A A . 10 MET HE1 1 1 3 444 1 1 10 MET HE2 H 0.927 -2.933 5.075 1.00 . A A . 10 MET HE2 1 1 3 445 1 1 10 MET HE3 H 1.571 -3.381 6.507 1.00 . A A . 10 MET HE3 1 1 3 446 1 1 10 MET HG2 H -1.457 -3.368 4.394 1.00 . A A . 10 MET HG2 1 1 3 447 1 1 10 MET HG3 H -2.743 -3.300 5.398 1.00 . A A . 10 MET HG3 1 1 3 448 1 1 10 MET N N -1.441 -5.317 2.693 1.00 . A A . 10 MET N 1 1 3 449 1 1 10 MET O O -3.917 -4.355 2.171 1.00 . A A . 10 MET O 1 1 3 450 1 1 10 MET SD S -0.758 -3.346 6.616 1.00 . A A . 10 MET SD 1 1 4 451 1 1 1 GLY C C -0.848 9.655 3.906 1.00 . A A . 1 GLY C 1 1 4 452 1 1 1 GLY CA C -1.035 10.967 3.172 1.00 . A A . 1 GLY CA 1 1 4 453 1 1 1 GLY H1 H 0.848 11.652 3.406 1.00 . A A . 1 GLY H1 1 1 4 454 1 1 1 GLY H2 H -0.244 12.821 3.076 1.00 . A A . 1 GLY H2 1 1 4 455 1 1 1 GLY H3 H -0.186 12.154 4.565 1.00 . A A . 1 GLY H3 1 1 4 456 1 1 1 GLY HA2 H -1.959 11.306 3.351 1.00 . A A . 1 GLY HA2 1 1 4 457 1 1 1 GLY HA3 H -0.924 10.805 2.192 1.00 . A A . 1 GLY HA3 1 1 4 458 1 1 1 GLY N N -0.080 11.977 3.587 1.00 . A A . 1 GLY N 1 1 4 459 1 1 1 GLY O O -0.524 9.641 5.093 1.00 . A A . 1 GLY O 1 1 4 460 1 1 2 ASN C C 0.173 6.424 3.081 1.00 . A A . 2 ASN C 1 1 4 461 1 1 2 ASN CA C -0.913 7.224 3.795 1.00 . A A . 2 ASN CA 1 1 4 462 1 1 2 ASN CB C -2.242 6.468 3.737 1.00 . A A . 2 ASN CB 1 1 4 463 1 1 2 ASN CG C -3.094 6.701 4.968 1.00 . A A . 2 ASN CG 1 1 4 464 1 1 2 ASN H H -1.319 8.625 2.238 1.00 . A A . 2 ASN H 1 1 4 465 1 1 2 ASN HA H -0.601 7.361 4.735 1.00 . A A . 2 ASN HA 1 1 4 466 1 1 2 ASN HB2 H -2.750 6.774 2.932 1.00 . A A . 2 ASN HB2 1 1 4 467 1 1 2 ASN HB3 H -2.051 5.490 3.659 1.00 . A A . 2 ASN HB3 1 1 4 468 1 1 2 ASN HD21 H -3.032 8.703 4.681 1.00 . A A . 2 ASN HD21 1 1 4 469 1 1 2 ASN HD22 H -3.935 8.179 6.064 1.00 . A A . 2 ASN HD22 1 1 4 470 1 1 2 ASN N N -1.057 8.548 3.200 1.00 . A A . 2 ASN N 1 1 4 471 1 1 2 ASN ND2 N -3.377 7.965 5.262 1.00 . A A . 2 ASN ND2 1 1 4 472 1 1 2 ASN O O 0.795 6.907 2.134 1.00 . A A . 2 ASN O 1 1 4 473 1 1 2 ASN OD1 O -3.493 5.756 5.649 1.00 . A A . 2 ASN OD1 1 1 4 474 1 1 3 HIS C C 0.853 3.622 1.711 1.00 . A A . 3 HIS C 1 1 4 475 1 1 3 HIS CA C 1.403 4.327 2.946 1.00 . A A . 3 HIS CA 1 1 4 476 1 1 3 HIS CB C 1.883 3.292 3.966 1.00 . A A . 3 HIS CB 1 1 4 477 1 1 3 HIS CD2 C 4.250 2.332 3.503 1.00 . A A . 3 HIS CD2 1 1 4 478 1 1 3 HIS CE1 C 5.391 3.745 4.729 1.00 . A A . 3 HIS CE1 1 1 4 479 1 1 3 HIS CG C 3.380 3.209 4.078 1.00 . A A . 3 HIS CG 1 1 4 480 1 1 3 HIS H H -0.144 4.861 4.315 1.00 . A A . 3 HIS H 1 1 4 481 1 1 3 HIS HA H 2.173 4.897 2.660 1.00 . A A . 3 HIS HA 1 1 4 482 1 1 3 HIS HB2 H 1.513 3.534 4.863 1.00 . A A . 3 HIS HB2 1 1 4 483 1 1 3 HIS HB3 H 1.537 2.394 3.694 1.00 . A A . 3 HIS HB3 1 1 4 484 1 1 3 HIS HD2 H 4.016 1.576 2.891 1.00 . A A . 3 HIS HD2 1 1 4 485 1 1 3 HIS HE1 H 6.153 4.211 5.179 1.00 . A A . 3 HIS HE1 1 1 4 486 1 1 3 HIS HE2 H 6.389 2.247 3.691 1.00 . A A . 3 HIS HE2 1 1 4 487 1 1 3 HIS N N 0.394 5.196 3.542 1.00 . A A . 3 HIS N 1 1 4 488 1 1 3 HIS ND1 N 4.118 4.093 4.847 1.00 . A A . 3 HIS ND1 1 1 4 489 1 1 3 HIS NE2 N 5.521 2.685 3.926 1.00 . A A . 3 HIS NE2 1 1 4 490 1 1 3 HIS O O -0.236 3.944 1.233 1.00 . A A . 3 HIS O 1 1 4 491 1 1 4 TRP C C 0.847 0.472 0.380 1.00 . A A . 4 TRP C 1 1 4 492 1 1 4 TRP CA C 1.199 1.910 0.016 1.00 . A A . 4 TRP CA 1 1 4 493 1 1 4 TRP CB C 2.309 1.927 -1.036 1.00 . A A . 4 TRP CB 1 1 4 494 1 1 4 TRP CD1 C 4.563 2.275 0.132 1.00 . A A . 4 TRP CD1 1 1 4 495 1 1 4 TRP CD2 C 4.199 0.175 -0.557 1.00 . A A . 4 TRP CD2 1 1 4 496 1 1 4 TRP CE2 C 5.462 0.232 0.063 1.00 . A A . 4 TRP CE2 1 1 4 497 1 1 4 TRP CE3 C 3.754 -1.046 -1.069 1.00 . A A . 4 TRP CE3 1 1 4 498 1 1 4 TRP CG C 3.641 1.493 -0.502 1.00 . A A . 4 TRP CG 1 1 4 499 1 1 4 TRP CH2 C 5.822 -2.070 -0.327 1.00 . A A . 4 TRP CH2 1 1 4 500 1 1 4 TRP CZ2 C 6.283 -0.887 0.183 1.00 . A A . 4 TRP CZ2 1 1 4 501 1 1 4 TRP CZ3 C 4.570 -2.155 -0.949 1.00 . A A . 4 TRP CZ3 1 1 4 502 1 1 4 TRP H H 2.487 2.445 1.630 1.00 . A A . 4 TRP H 1 1 4 503 1 1 4 TRP HA H 0.368 2.341 -0.336 1.00 . A A . 4 TRP HA 1 1 4 504 1 1 4 TRP HB2 H 2.052 1.311 -1.781 1.00 . A A . 4 TRP HB2 1 1 4 505 1 1 4 TRP HB3 H 2.399 2.858 -1.390 1.00 . A A . 4 TRP HB3 1 1 4 506 1 1 4 TRP HD1 H 4.456 3.251 0.320 1.00 . A A . 4 TRP HD1 1 1 4 507 1 1 4 TRP HE1 H 6.475 1.861 0.946 1.00 . A A . 4 TRP HE1 1 1 4 508 1 1 4 TRP HE3 H 2.862 -1.118 -1.514 1.00 . A A . 4 TRP HE3 1 1 4 509 1 1 4 TRP HH2 H 6.388 -2.891 -0.256 1.00 . A A . 4 TRP HH2 1 1 4 510 1 1 4 TRP HZ2 H 7.177 -0.823 0.627 1.00 . A A . 4 TRP HZ2 1 1 4 511 1 1 4 TRP HZ3 H 4.260 -3.033 -1.313 1.00 . A A . 4 TRP HZ3 1 1 4 512 1 1 4 TRP N N 1.612 2.660 1.197 1.00 . A A . 4 TRP N 1 1 4 513 1 1 4 TRP NE1 N 5.661 1.523 0.474 1.00 . A A . 4 TRP NE1 1 1 4 514 1 1 4 TRP O O -0.177 -0.054 -0.053 1.00 . A A . 4 TRP O 1 1 4 515 1 1 5 ALA C C 0.095 -1.704 2.214 1.00 . A A . 5 ALA C 1 1 4 516 1 1 5 ALA CA C 1.481 -1.535 1.602 1.00 . A A . 5 ALA CA 1 1 4 517 1 1 5 ALA CB C 2.552 -1.962 2.593 1.00 . A A . 5 ALA CB 1 1 4 518 1 1 5 ALA H H 2.519 0.324 1.495 1.00 . A A . 5 ALA H 1 1 4 519 1 1 5 ALA HA H 1.544 -2.126 0.798 1.00 . A A . 5 ALA HA 1 1 4 520 1 1 5 ALA HB1 H 2.520 -1.363 3.393 1.00 . A A . 5 ALA HB1 1 1 4 521 1 1 5 ALA HB2 H 2.392 -2.907 2.878 1.00 . A A . 5 ALA HB2 1 1 4 522 1 1 5 ALA HB3 H 3.450 -1.892 2.160 1.00 . A A . 5 ALA HB3 1 1 4 523 1 1 5 ALA N N 1.703 -0.158 1.178 1.00 . A A . 5 ALA N 1 1 4 524 1 1 5 ALA O O -0.494 -2.784 2.157 1.00 . A A . 5 ALA O 1 1 4 525 1 1 6 VAL C C -2.789 -1.212 2.468 1.00 . A A . 6 VAL C 1 1 4 526 1 1 6 VAL CA C -1.742 -0.658 3.426 1.00 . A A . 6 VAL CA 1 1 4 527 1 1 6 VAL CB C -2.172 0.746 3.887 1.00 . A A . 6 VAL CB 1 1 4 528 1 1 6 VAL CG1 C -1.220 1.278 4.946 1.00 . A A . 6 VAL CG1 1 1 4 529 1 1 6 VAL CG2 C -2.251 1.696 2.701 1.00 . A A . 6 VAL CG2 1 1 4 530 1 1 6 VAL H H 0.105 0.220 2.817 1.00 . A A . 6 VAL H 1 1 4 531 1 1 6 VAL HA H -1.693 -1.273 4.213 1.00 . A A . 6 VAL HA 1 1 4 532 1 1 6 VAL HB H -3.076 0.664 4.308 1.00 . A A . 6 VAL HB 1 1 4 533 1 1 6 VAL HG11 H -1.221 0.670 5.740 1.00 . A A . 6 VAL HG11 1 1 4 534 1 1 6 VAL HG12 H -0.294 1.337 4.572 1.00 . A A . 6 VAL HG12 1 1 4 535 1 1 6 VAL HG13 H -1.526 2.189 5.224 1.00 . A A . 6 VAL HG13 1 1 4 536 1 1 6 VAL HG21 H -2.921 1.355 2.041 1.00 . A A . 6 VAL HG21 1 1 4 537 1 1 6 VAL HG22 H -2.532 2.600 3.024 1.00 . A A . 6 VAL HG22 1 1 4 538 1 1 6 VAL HG23 H -1.355 1.762 2.263 1.00 . A A . 6 VAL HG23 1 1 4 539 1 1 6 VAL N N -0.423 -0.629 2.802 1.00 . A A . 6 VAL N 1 1 4 540 1 1 6 VAL O O -3.772 -1.819 2.891 1.00 . A A . 6 VAL O 1 1 4 541 1 1 7 GLY C C -2.859 -2.433 -0.813 1.00 . A A . 7 GLY C 1 1 4 542 1 1 7 GLY CA C -3.507 -1.485 0.176 1.00 . A A . 7 GLY CA 1 1 4 543 1 1 7 GLY H H -1.756 -0.502 0.885 1.00 . A A . 7 GLY H 1 1 4 544 1 1 7 GLY HA2 H -4.252 -1.965 0.640 1.00 . A A . 7 GLY HA2 1 1 4 545 1 1 7 GLY HA3 H -3.876 -0.702 -0.325 1.00 . A A . 7 GLY HA3 1 1 4 546 1 1 7 GLY N N -2.573 -1.001 1.174 1.00 . A A . 7 GLY N 1 1 4 547 1 1 7 GLY O O -3.506 -3.348 -1.324 1.00 . A A . 7 GLY O 1 1 4 548 1 1 8 HIS C C -0.466 -4.387 -1.379 1.00 . A A . 8 HIS C 1 1 4 549 1 1 8 HIS CA C -0.841 -3.057 -2.025 1.00 . A A . 8 HIS CA 1 1 4 550 1 1 8 HIS CB C 0.417 -2.336 -2.508 1.00 . A A . 8 HIS CB 1 1 4 551 1 1 8 HIS CD2 C -0.588 -1.588 -4.783 1.00 . A A . 8 HIS CD2 1 1 4 552 1 1 8 HIS CE1 C 1.209 -1.854 -6.006 1.00 . A A . 8 HIS CE1 1 1 4 553 1 1 8 HIS CG C 0.419 -2.038 -3.982 1.00 . A A . 8 HIS CG 1 1 4 554 1 1 8 HIS H H -1.107 -1.454 -0.644 1.00 . A A . 8 HIS H 1 1 4 555 1 1 8 HIS HA H -1.436 -3.248 -2.805 1.00 . A A . 8 HIS HA 1 1 4 556 1 1 8 HIS HB2 H 0.496 -1.471 -2.013 1.00 . A A . 8 HIS HB2 1 1 4 557 1 1 8 HIS HB3 H 1.210 -2.910 -2.303 1.00 . A A . 8 HIS HB3 1 1 4 558 1 1 8 HIS HD2 H -1.524 -1.378 -4.501 1.00 . A A . 8 HIS HD2 1 1 4 559 1 1 8 HIS HE1 H 1.828 -1.872 -6.791 1.00 . A A . 8 HIS HE1 1 1 4 560 1 1 8 HIS HE2 H -0.544 -1.175 -6.890 1.00 . A A . 8 HIS HE2 1 1 4 561 1 1 8 HIS N N -1.578 -2.215 -1.089 1.00 . A A . 8 HIS N 1 1 4 562 1 1 8 HIS ND1 N 1.546 -2.200 -4.772 1.00 . A A . 8 HIS ND1 1 1 4 563 1 1 8 HIS NE2 N -0.071 -1.477 -6.062 1.00 . A A . 8 HIS NE2 1 1 4 564 1 1 8 HIS O O -0.176 -5.364 -2.071 1.00 . A A . 8 HIS O 1 1 4 565 1 1 9 LEU C C -1.281 -6.050 1.600 1.00 . A A . 9 LEU C 1 1 4 566 1 1 9 LEU CA C -0.133 -5.629 0.688 1.00 . A A . 9 LEU CA 1 1 4 567 1 1 9 LEU CB C 1.135 -5.406 1.513 1.00 . A A . 9 LEU CB 1 1 4 568 1 1 9 LEU CD1 C 3.633 -5.327 1.701 1.00 . A A . 9 LEU CD1 1 1 4 569 1 1 9 LEU CD2 C 2.545 -7.061 0.264 1.00 . A A . 9 LEU CD2 1 1 4 570 1 1 9 LEU CG C 2.459 -5.632 0.784 1.00 . A A . 9 LEU CG 1 1 4 571 1 1 9 LEU H H -0.719 -3.590 0.455 1.00 . A A . 9 LEU H 1 1 4 572 1 1 9 LEU HA H 0.028 -6.363 0.028 1.00 . A A . 9 LEU HA 1 1 4 573 1 1 9 LEU HB2 H 1.125 -4.461 1.841 1.00 . A A . 9 LEU HB2 1 1 4 574 1 1 9 LEU HB3 H 1.106 -6.030 2.294 1.00 . A A . 9 LEU HB3 1 1 4 575 1 1 9 LEU HD11 H 3.597 -5.927 2.500 1.00 . A A . 9 LEU HD11 1 1 4 576 1 1 9 LEU HD12 H 4.489 -5.480 1.207 1.00 . A A . 9 LEU HD12 1 1 4 577 1 1 9 LEU HD13 H 3.586 -4.373 1.998 1.00 . A A . 9 LEU HD13 1 1 4 578 1 1 9 LEU HD21 H 1.786 -7.224 -0.366 1.00 . A A . 9 LEU HD21 1 1 4 579 1 1 9 LEU HD22 H 3.412 -7.207 -0.213 1.00 . A A . 9 LEU HD22 1 1 4 580 1 1 9 LEU HD23 H 2.478 -7.693 1.036 1.00 . A A . 9 LEU HD23 1 1 4 581 1 1 9 LEU HG H 2.500 -5.031 -0.014 1.00 . A A . 9 LEU HG 1 1 4 582 1 1 9 LEU N N -0.474 -4.417 -0.051 1.00 . A A . 9 LEU N 1 1 4 583 1 1 9 LEU O O -1.970 -7.034 1.333 1.00 . A A . 9 LEU O 1 1 4 584 1 1 10 MET C C -3.656 -4.546 3.541 1.00 . A A . 10 MET C 1 1 4 585 1 1 10 MET CA C -2.547 -5.591 3.626 1.00 . A A . 10 MET CA 1 1 4 586 1 1 10 MET CB C -1.991 -5.644 5.051 1.00 . A A . 10 MET CB 1 1 4 587 1 1 10 MET CE C 1.113 -3.705 5.949 1.00 . A A . 10 MET CE 1 1 4 588 1 1 10 MET CG C -1.573 -4.286 5.591 1.00 . A A . 10 MET CG 1 1 4 589 1 1 10 MET H H -0.886 -4.510 2.840 1.00 . A A . 10 MET H 1 1 4 590 1 1 10 MET HA H -2.942 -6.476 3.378 1.00 . A A . 10 MET HA 1 1 4 591 1 1 10 MET HB2 H -2.696 -6.020 5.653 1.00 . A A . 10 MET HB2 1 1 4 592 1 1 10 MET HB3 H -1.192 -6.246 5.057 1.00 . A A . 10 MET HB3 1 1 4 593 1 1 10 MET HE1 H 1.288 -4.251 5.130 1.00 . A A . 10 MET HE1 1 1 4 594 1 1 10 MET HE2 H 0.893 -2.767 5.683 1.00 . A A . 10 MET HE2 1 1 4 595 1 1 10 MET HE3 H 1.927 -3.705 6.529 1.00 . A A . 10 MET HE3 1 1 4 596 1 1 10 MET HG2 H -1.241 -3.732 4.827 1.00 . A A . 10 MET HG2 1 1 4 597 1 1 10 MET HG3 H -2.375 -3.848 5.997 1.00 . A A . 10 MET HG3 1 1 4 598 1 1 10 MET N N -1.481 -5.297 2.677 1.00 . A A . 10 MET N 1 1 4 599 1 1 10 MET O O -4.839 -4.870 3.653 1.00 . A A . 10 MET O 1 1 4 600 1 1 10 MET SD S -0.276 -4.405 6.837 1.00 . A A . 10 MET SD 1 1 5 601 1 1 1 GLY C C -1.435 9.603 3.917 1.00 . A A . 1 GLY C 1 1 5 602 1 1 1 GLY CA C -1.548 10.920 3.176 1.00 . A A . 1 GLY CA 1 1 5 603 1 1 1 GLY H1 H -3.131 10.423 2.027 1.00 . A A . 1 GLY H1 1 1 5 604 1 1 1 GLY H2 H -2.257 11.673 1.443 1.00 . A A . 1 GLY H2 1 1 5 605 1 1 1 GLY H3 H -1.687 10.147 1.317 1.00 . A A . 1 GLY H3 1 1 5 606 1 1 1 GLY HA2 H -0.629 11.284 3.027 1.00 . A A . 1 GLY HA2 1 1 5 607 1 1 1 GLY HA3 H -2.073 11.560 3.737 1.00 . A A . 1 GLY HA3 1 1 5 608 1 1 1 GLY N N -2.207 10.780 1.891 1.00 . A A . 1 GLY N 1 1 5 609 1 1 1 GLY O O -1.689 9.534 5.118 1.00 . A A . 1 GLY O 1 1 5 610 1 1 2 ASN C C 0.176 6.427 3.079 1.00 . A A . 2 ASN C 1 1 5 611 1 1 2 ASN CA C -0.908 7.229 3.792 1.00 . A A . 2 ASN CA 1 1 5 612 1 1 2 ASN CB C -2.238 6.473 3.735 1.00 . A A . 2 ASN CB 1 1 5 613 1 1 2 ASN CG C -3.092 6.715 4.965 1.00 . A A . 2 ASN CG 1 1 5 614 1 1 2 ASN H H -0.860 8.672 2.223 1.00 . A A . 2 ASN H 1 1 5 615 1 1 2 ASN HA H -0.595 7.367 4.732 1.00 . A A . 2 ASN HA 1 1 5 616 1 1 2 ASN HB2 H -2.744 6.775 2.927 1.00 . A A . 2 ASN HB2 1 1 5 617 1 1 2 ASN HB3 H -2.048 5.494 3.663 1.00 . A A . 2 ASN HB3 1 1 5 618 1 1 2 ASN HD21 H -1.993 5.398 6.036 1.00 . A A . 2 ASN HD21 1 1 5 619 1 1 2 ASN HD22 H -3.296 6.149 6.896 1.00 . A A . 2 ASN HD22 1 1 5 620 1 1 2 ASN N N -1.053 8.552 3.197 1.00 . A A . 2 ASN N 1 1 5 621 1 1 2 ASN ND2 N -2.767 6.031 6.055 1.00 . A A . 2 ASN ND2 1 1 5 622 1 1 2 ASN O O 0.798 6.909 2.132 1.00 . A A . 2 ASN O 1 1 5 623 1 1 2 ASN OD1 O -4.034 7.507 4.934 1.00 . A A . 2 ASN OD1 1 1 5 624 1 1 3 HIS C C 0.857 3.628 1.708 1.00 . A A . 3 HIS C 1 1 5 625 1 1 3 HIS CA C 1.406 4.330 2.946 1.00 . A A . 3 HIS CA 1 1 5 626 1 1 3 HIS CB C 1.882 3.293 3.965 1.00 . A A . 3 HIS CB 1 1 5 627 1 1 3 HIS CD2 C 4.242 2.302 3.529 1.00 . A A . 3 HIS CD2 1 1 5 628 1 1 3 HIS CE1 C 5.396 3.745 4.701 1.00 . A A . 3 HIS CE1 1 1 5 629 1 1 3 HIS CG C 3.380 3.203 4.076 1.00 . A A . 3 HIS CG 1 1 5 630 1 1 3 HIS H H -0.139 4.866 4.315 1.00 . A A . 3 HIS H 1 1 5 631 1 1 3 HIS HA H 2.178 4.899 2.663 1.00 . A A . 3 HIS HA 1 1 5 632 1 1 3 HIS HB2 H 1.514 3.537 4.862 1.00 . A A . 3 HIS HB2 1 1 5 633 1 1 3 HIS HB3 H 1.532 2.397 3.693 1.00 . A A . 3 HIS HB3 1 1 5 634 1 1 3 HIS HD2 H 4.001 1.528 2.944 1.00 . A A . 3 HIS HD2 1 1 5 635 1 1 3 HIS HE1 H 6.163 4.220 5.133 1.00 . A A . 3 HIS HE1 1 1 5 636 1 1 3 HIS HE2 H 6.379 2.209 3.714 1.00 . A A . 3 HIS HE2 1 1 5 637 1 1 3 HIS N N 0.398 5.200 3.541 1.00 . A A . 3 HIS N 1 1 5 638 1 1 3 HIS ND1 N 4.125 4.108 4.812 1.00 . A A . 3 HIS ND1 1 1 5 639 1 1 3 HIS NE2 N 5.515 2.660 3.936 1.00 . A A . 3 HIS NE2 1 1 5 640 1 1 3 HIS O O -0.227 3.958 1.225 1.00 . A A . 3 HIS O 1 1 5 641 1 1 4 TRP C C 0.846 0.473 0.380 1.00 . A A . 4 TRP C 1 1 5 642 1 1 4 TRP CA C 1.198 1.911 0.019 1.00 . A A . 4 TRP CA 1 1 5 643 1 1 4 TRP CB C 2.308 1.929 -1.034 1.00 . A A . 4 TRP CB 1 1 5 644 1 1 4 TRP CD1 C 4.563 2.273 0.133 1.00 . A A . 4 TRP CD1 1 1 5 645 1 1 4 TRP CD2 C 4.195 0.176 -0.558 1.00 . A A . 4 TRP CD2 1 1 5 646 1 1 4 TRP CE2 C 5.459 0.229 0.062 1.00 . A A . 4 TRP CE2 1 1 5 647 1 1 4 TRP CE3 C 3.748 -1.045 -1.072 1.00 . A A . 4 TRP CE3 1 1 5 648 1 1 4 TRP CG C 3.639 1.493 -0.502 1.00 . A A . 4 TRP CG 1 1 5 649 1 1 4 TRP CH2 C 5.815 -2.072 -0.332 1.00 . A A . 4 TRP CH2 1 1 5 650 1 1 4 TRP CZ2 C 6.278 -0.891 0.180 1.00 . A A . 4 TRP CZ2 1 1 5 651 1 1 4 TRP CZ3 C 4.563 -2.155 -0.954 1.00 . A A . 4 TRP CZ3 1 1 5 652 1 1 4 TRP H H 2.481 2.439 1.638 1.00 . A A . 4 TRP H 1 1 5 653 1 1 4 TRP HA H 0.367 2.342 -0.333 1.00 . A A . 4 TRP HA 1 1 5 654 1 1 4 TRP HB2 H 2.050 1.315 -1.780 1.00 . A A . 4 TRP HB2 1 1 5 655 1 1 4 TRP HB3 H 2.399 2.861 -1.386 1.00 . A A . 4 TRP HB3 1 1 5 656 1 1 4 TRP HD1 H 4.458 3.249 0.322 1.00 . A A . 4 TRP HD1 1 1 5 657 1 1 4 TRP HE1 H 6.474 1.855 0.949 1.00 . A A . 4 TRP HE1 1 1 5 658 1 1 4 TRP HE3 H 2.855 -1.115 -1.517 1.00 . A A . 4 TRP HE3 1 1 5 659 1 1 4 TRP HH2 H 6.380 -2.894 -0.262 1.00 . A A . 4 TRP HH2 1 1 5 660 1 1 4 TRP HZ2 H 7.172 -0.830 0.624 1.00 . A A . 4 TRP HZ2 1 1 5 661 1 1 4 TRP HZ3 H 4.252 -3.032 -1.320 1.00 . A A . 4 TRP HZ3 1 1 5 662 1 1 4 TRP N N 1.610 2.660 1.200 1.00 . A A . 4 TRP N 1 1 5 663 1 1 4 TRP NE1 N 5.660 1.519 0.475 1.00 . A A . 4 TRP NE1 1 1 5 664 1 1 4 TRP O O -0.178 -0.054 -0.055 1.00 . A A . 4 TRP O 1 1 5 665 1 1 5 ALA C C 0.094 -1.705 2.212 1.00 . A A . 5 ALA C 1 1 5 666 1 1 5 ALA CA C 1.479 -1.536 1.599 1.00 . A A . 5 ALA CA 1 1 5 667 1 1 5 ALA CB C 2.553 -1.965 2.588 1.00 . A A . 5 ALA CB 1 1 5 668 1 1 5 ALA H H 2.517 0.323 1.497 1.00 . A A . 5 ALA H 1 1 5 669 1 1 5 ALA HA H 1.541 -2.126 0.794 1.00 . A A . 5 ALA HA 1 1 5 670 1 1 5 ALA HB1 H 2.523 -1.367 3.389 1.00 . A A . 5 ALA HB1 1 1 5 671 1 1 5 ALA HB2 H 2.393 -2.911 2.872 1.00 . A A . 5 ALA HB2 1 1 5 672 1 1 5 ALA HB3 H 3.451 -1.895 2.153 1.00 . A A . 5 ALA HB3 1 1 5 673 1 1 5 ALA N N 1.701 -0.159 1.178 1.00 . A A . 5 ALA N 1 1 5 674 1 1 5 ALA O O -0.495 -2.786 2.154 1.00 . A A . 5 ALA O 1 1 5 675 1 1 6 VAL C C -2.789 -1.217 2.468 1.00 . A A . 6 VAL C 1 1 5 676 1 1 6 VAL CA C -1.742 -0.661 3.425 1.00 . A A . 6 VAL CA 1 1 5 677 1 1 6 VAL CB C -2.174 0.742 3.887 1.00 . A A . 6 VAL CB 1 1 5 678 1 1 6 VAL CG1 C -1.222 1.274 4.945 1.00 . A A . 6 VAL CG1 1 1 5 679 1 1 6 VAL CG2 C -2.253 1.692 2.701 1.00 . A A . 6 VAL CG2 1 1 5 680 1 1 6 VAL H H 0.104 0.217 2.817 1.00 . A A . 6 VAL H 1 1 5 681 1 1 6 VAL HA H -1.693 -1.275 4.212 1.00 . A A . 6 VAL HA 1 1 5 682 1 1 6 VAL HB H -3.077 0.658 4.308 1.00 . A A . 6 VAL HB 1 1 5 683 1 1 6 VAL HG11 H -0.297 1.334 4.570 1.00 . A A . 6 VAL HG11 1 1 5 684 1 1 6 VAL HG12 H -1.529 2.184 5.224 1.00 . A A . 6 VAL HG12 1 1 5 685 1 1 6 VAL HG13 H -1.221 0.665 5.738 1.00 . A A . 6 VAL HG13 1 1 5 686 1 1 6 VAL HG21 H -2.922 1.351 2.040 1.00 . A A . 6 VAL HG21 1 1 5 687 1 1 6 VAL HG22 H -2.535 2.595 3.024 1.00 . A A . 6 VAL HG22 1 1 5 688 1 1 6 VAL HG23 H -1.356 1.759 2.263 1.00 . A A . 6 VAL HG23 1 1 5 689 1 1 6 VAL N N -0.424 -0.632 2.801 1.00 . A A . 6 VAL N 1 1 5 690 1 1 6 VAL O O -3.771 -1.826 2.891 1.00 . A A . 6 VAL O 1 1 5 691 1 1 7 GLY C C -2.861 -2.430 -0.817 1.00 . A A . 7 GLY C 1 1 5 692 1 1 7 GLY CA C -3.511 -1.488 0.175 1.00 . A A . 7 GLY CA 1 1 5 693 1 1 7 GLY H H -1.762 -0.499 0.883 1.00 . A A . 7 GLY H 1 1 5 694 1 1 7 GLY HA2 H -4.253 -1.972 0.639 1.00 . A A . 7 GLY HA2 1 1 5 695 1 1 7 GLY HA3 H -3.884 -0.705 -0.323 1.00 . A A . 7 GLY HA3 1 1 5 696 1 1 7 GLY N N -2.576 -1.002 1.173 1.00 . A A . 7 GLY N 1 1 5 697 1 1 7 GLY O O -3.509 -3.338 -1.339 1.00 . A A . 7 GLY O 1 1 5 698 1 1 8 HIS C C -0.464 -4.388 -1.380 1.00 . A A . 8 HIS C 1 1 5 699 1 1 8 HIS CA C -0.839 -3.055 -2.020 1.00 . A A . 8 HIS CA 1 1 5 700 1 1 8 HIS CB C 0.421 -2.333 -2.499 1.00 . A A . 8 HIS CB 1 1 5 701 1 1 8 HIS CD2 C -0.566 -1.550 -4.771 1.00 . A A . 8 HIS CD2 1 1 5 702 1 1 8 HIS CE1 C 1.216 -1.877 -6.000 1.00 . A A . 8 HIS CE1 1 1 5 703 1 1 8 HIS CG C 0.427 -2.035 -3.973 1.00 . A A . 8 HIS CG 1 1 5 704 1 1 8 HIS H H -1.103 -1.461 -0.627 1.00 . A A . 8 HIS H 1 1 5 705 1 1 8 HIS HA H -1.434 -3.243 -2.801 1.00 . A A . 8 HIS HA 1 1 5 706 1 1 8 HIS HB2 H 0.498 -1.468 -2.004 1.00 . A A . 8 HIS HB2 1 1 5 707 1 1 8 HIS HB3 H 1.213 -2.907 -2.292 1.00 . A A . 8 HIS HB3 1 1 5 708 1 1 8 HIS HD2 H -1.493 -1.308 -4.485 1.00 . A A . 8 HIS HD2 1 1 5 709 1 1 8 HIS HE1 H 1.831 -1.916 -6.787 1.00 . A A . 8 HIS HE1 1 1 5 710 1 1 8 HIS HE2 H -0.518 -1.136 -6.875 1.00 . A A . 8 HIS HE2 1 1 5 711 1 1 8 HIS N N -1.576 -2.216 -1.082 1.00 . A A . 8 HIS N 1 1 5 712 1 1 8 HIS ND1 N 1.544 -2.235 -4.767 1.00 . A A . 8 HIS ND1 1 1 5 713 1 1 8 HIS NE2 N -0.051 -1.456 -6.050 1.00 . A A . 8 HIS NE2 1 1 5 714 1 1 8 HIS O O -0.169 -5.361 -2.075 1.00 . A A . 8 HIS O 1 1 5 715 1 1 9 LEU C C -1.288 -6.065 1.590 1.00 . A A . 9 LEU C 1 1 5 716 1 1 9 LEU CA C -0.139 -5.639 0.683 1.00 . A A . 9 LEU CA 1 1 5 717 1 1 9 LEU CB C 1.127 -5.419 1.513 1.00 . A A . 9 LEU CB 1 1 5 718 1 1 9 LEU CD1 C 3.624 -5.339 1.709 1.00 . A A . 9 LEU CD1 1 1 5 719 1 1 9 LEU CD2 C 2.542 -7.064 0.258 1.00 . A A . 9 LEU CD2 1 1 5 720 1 1 9 LEU CG C 2.454 -5.641 0.786 1.00 . A A . 9 LEU CG 1 1 5 721 1 1 9 LEU H H -0.725 -3.600 0.456 1.00 . A A . 9 LEU H 1 1 5 722 1 1 9 LEU HA H 0.024 -6.370 0.021 1.00 . A A . 9 LEU HA 1 1 5 723 1 1 9 LEU HB2 H 1.115 -4.476 1.846 1.00 . A A . 9 LEU HB2 1 1 5 724 1 1 9 LEU HB3 H 1.096 -6.047 2.291 1.00 . A A . 9 LEU HB3 1 1 5 725 1 1 9 LEU HD11 H 3.575 -4.387 2.010 1.00 . A A . 9 LEU HD11 1 1 5 726 1 1 9 LEU HD12 H 3.586 -5.943 2.505 1.00 . A A . 9 LEU HD12 1 1 5 727 1 1 9 LEU HD13 H 4.482 -5.489 1.217 1.00 . A A . 9 LEU HD13 1 1 5 728 1 1 9 LEU HD21 H 1.785 -7.223 -0.376 1.00 . A A . 9 LEU HD21 1 1 5 729 1 1 9 LEU HD22 H 3.410 -7.207 -0.217 1.00 . A A . 9 LEU HD22 1 1 5 730 1 1 9 LEU HD23 H 2.473 -7.701 1.026 1.00 . A A . 9 LEU HD23 1 1 5 731 1 1 9 LEU HG H 2.497 -5.036 -0.009 1.00 . A A . 9 LEU HG 1 1 5 732 1 1 9 LEU N N -0.477 -4.425 -0.052 1.00 . A A . 9 LEU N 1 1 5 733 1 1 9 LEU O O -1.947 -7.074 1.340 1.00 . A A . 9 LEU O 1 1 5 734 1 1 10 MET C C -3.738 -4.580 3.442 1.00 . A A . 10 MET C 1 1 5 735 1 1 10 MET CA C -2.598 -5.584 3.584 1.00 . A A . 10 MET CA 1 1 5 736 1 1 10 MET CB C -2.065 -5.568 5.018 1.00 . A A . 10 MET CB 1 1 5 737 1 1 10 MET CE C 0.749 -2.595 5.834 1.00 . A A . 10 MET CE 1 1 5 738 1 1 10 MET CG C -1.442 -4.242 5.420 1.00 . A A . 10 MET CG 1 1 5 739 1 1 10 MET H H -0.952 -4.481 2.790 1.00 . A A . 10 MET H 1 1 5 740 1 1 10 MET HA H -2.959 -6.490 3.362 1.00 . A A . 10 MET HA 1 1 5 741 1 1 10 MET HB2 H -2.823 -5.762 5.640 1.00 . A A . 10 MET HB2 1 1 5 742 1 1 10 MET HB3 H -1.371 -6.282 5.106 1.00 . A A . 10 MET HB3 1 1 5 743 1 1 10 MET HE1 H 0.264 -1.901 5.302 1.00 . A A . 10 MET HE1 1 1 5 744 1 1 10 MET HE2 H 0.463 -2.541 6.791 1.00 . A A . 10 MET HE2 1 1 5 745 1 1 10 MET HE3 H 1.734 -2.435 5.771 1.00 . A A . 10 MET HE3 1 1 5 746 1 1 10 MET HG2 H -1.852 -3.520 4.863 1.00 . A A . 10 MET HG2 1 1 5 747 1 1 10 MET HG3 H -1.649 -4.076 6.384 1.00 . A A . 10 MET HG3 1 1 5 748 1 1 10 MET N N -1.524 -5.288 2.641 1.00 . A A . 10 MET N 1 1 5 749 1 1 10 MET O O -4.553 -4.418 4.351 1.00 . A A . 10 MET O 1 1 5 750 1 1 10 MET SD S 0.347 -4.217 5.191 1.00 . A A . 10 MET SD 1 1 6 751 1 1 1 GLY C C -0.123 9.470 3.254 1.00 . A A . 1 GLY C 1 1 6 752 1 1 1 GLY CA C -0.401 10.799 2.580 1.00 . A A . 1 GLY CA 1 1 6 753 1 1 1 GLY H1 H 0.179 10.261 0.723 1.00 . A A . 1 GLY H1 1 1 6 754 1 1 1 GLY H2 H 0.171 11.875 0.971 1.00 . A A . 1 GLY H2 1 1 6 755 1 1 1 GLY H3 H 1.361 10.958 1.609 1.00 . A A . 1 GLY H3 1 1 6 756 1 1 1 GLY HA2 H -0.188 11.535 3.222 1.00 . A A . 1 GLY HA2 1 1 6 757 1 1 1 GLY HA3 H -1.370 10.839 2.337 1.00 . A A . 1 GLY HA3 1 1 6 758 1 1 1 GLY N N 0.389 10.988 1.377 1.00 . A A . 1 GLY N 1 1 6 759 1 1 1 GLY O O 0.935 9.280 3.854 1.00 . A A . 1 GLY O 1 1 6 760 1 1 2 ASN C C 0.159 6.424 3.056 1.00 . A A . 2 ASN C 1 1 6 761 1 1 2 ASN CA C -0.927 7.230 3.763 1.00 . A A . 2 ASN CA 1 1 6 762 1 1 2 ASN CB C -2.255 6.471 3.713 1.00 . A A . 2 ASN CB 1 1 6 763 1 1 2 ASN CG C -3.097 6.699 4.952 1.00 . A A . 2 ASN CG 1 1 6 764 1 1 2 ASN H H -1.911 8.761 2.651 1.00 . A A . 2 ASN H 1 1 6 765 1 1 2 ASN HA H -0.614 7.377 4.701 1.00 . A A . 2 ASN HA 1 1 6 766 1 1 2 ASN HB2 H -2.770 6.778 2.913 1.00 . A A . 2 ASN HB2 1 1 6 767 1 1 2 ASN HB3 H -2.063 5.493 3.630 1.00 . A A . 2 ASN HB3 1 1 6 768 1 1 2 ASN HD21 H -2.169 5.177 5.909 1.00 . A A . 2 ASN HD21 1 1 6 769 1 1 2 ASN HD22 H -3.392 5.993 6.825 1.00 . A A . 2 ASN HD22 1 1 6 770 1 1 2 ASN N N -1.074 8.547 3.155 1.00 . A A . 2 ASN N 1 1 6 771 1 1 2 ASN ND2 N -2.867 5.890 5.980 1.00 . A A . 2 ASN ND2 1 1 6 772 1 1 2 ASN O O 0.774 6.896 2.099 1.00 . A A . 2 ASN O 1 1 6 773 1 1 2 ASN OD1 O -3.944 7.592 4.986 1.00 . A A . 2 ASN OD1 1 1 6 774 1 1 3 HIS C C 0.855 3.628 1.706 1.00 . A A . 3 HIS C 1 1 6 775 1 1 3 HIS CA C 1.398 4.331 2.946 1.00 . A A . 3 HIS CA 1 1 6 776 1 1 3 HIS CB C 1.867 3.294 3.968 1.00 . A A . 3 HIS CB 1 1 6 777 1 1 3 HIS CD2 C 4.239 2.345 3.506 1.00 . A A . 3 HIS CD2 1 1 6 778 1 1 3 HIS CE1 C 5.367 3.723 4.780 1.00 . A A . 3 HIS CE1 1 1 6 779 1 1 3 HIS CG C 3.363 3.207 4.094 1.00 . A A . 3 HIS CG 1 1 6 780 1 1 3 HIS H H -0.146 4.877 4.312 1.00 . A A . 3 HIS H 1 1 6 781 1 1 3 HIS HA H 2.173 4.897 2.667 1.00 . A A . 3 HIS HA 1 1 6 782 1 1 3 HIS HB2 H 1.489 3.536 4.862 1.00 . A A . 3 HIS HB2 1 1 6 783 1 1 3 HIS HB3 H 1.522 2.397 3.692 1.00 . A A . 3 HIS HB3 1 1 6 784 1 1 3 HIS HD2 H 4.011 1.605 2.873 1.00 . A A . 3 HIS HD2 1 1 6 785 1 1 3 HIS HE1 H 6.125 4.176 5.250 1.00 . A A . 3 HIS HE1 1 1 6 786 1 1 3 HIS HE2 H 6.374 2.254 3.711 1.00 . A A . 3 HIS HE2 1 1 6 787 1 1 3 HIS N N 0.388 5.204 3.532 1.00 . A A . 3 HIS N 1 1 6 788 1 1 3 HIS ND1 N 4.094 4.069 4.895 1.00 . A A . 3 HIS ND1 1 1 6 789 1 1 3 HIS NE2 N 5.504 2.686 3.950 1.00 . A A . 3 HIS NE2 1 1 6 790 1 1 3 HIS O O -0.225 3.958 1.216 1.00 . A A . 3 HIS O 1 1 6 791 1 1 4 TRP C C 0.851 0.469 0.382 1.00 . A A . 4 TRP C 1 1 6 792 1 1 4 TRP CA C 1.204 1.908 0.020 1.00 . A A . 4 TRP CA 1 1 6 793 1 1 4 TRP CB C 2.319 1.925 -1.027 1.00 . A A . 4 TRP CB 1 1 6 794 1 1 4 TRP CD1 C 4.567 2.282 0.148 1.00 . A A . 4 TRP CD1 1 1 6 795 1 1 4 TRP CD2 C 4.209 0.179 -0.532 1.00 . A A . 4 TRP CD2 1 1 6 796 1 1 4 TRP CE2 C 5.469 0.240 0.093 1.00 . A A . 4 TRP CE2 1 1 6 797 1 1 4 TRP CE3 C 3.768 -1.045 -1.040 1.00 . A A . 4 TRP CE3 1 1 6 798 1 1 4 TRP CG C 3.649 1.496 -0.486 1.00 . A A . 4 TRP CG 1 1 6 799 1 1 4 TRP CH2 C 5.834 -2.062 -0.285 1.00 . A A . 4 TRP CH2 1 1 6 800 1 1 4 TRP CZ2 C 6.291 -0.877 0.222 1.00 . A A . 4 TRP CZ2 1 1 6 801 1 1 4 TRP CZ3 C 4.585 -2.153 -0.912 1.00 . A A . 4 TRP CZ3 1 1 6 802 1 1 4 TRP H H 2.478 2.436 1.648 1.00 . A A . 4 TRP H 1 1 6 803 1 1 4 TRP HA H 0.374 2.338 -0.336 1.00 . A A . 4 TRP HA 1 1 6 804 1 1 4 TRP HB2 H 2.067 1.307 -1.771 1.00 . A A . 4 TRP HB2 1 1 6 805 1 1 4 TRP HB3 H 2.409 2.855 -1.383 1.00 . A A . 4 TRP HB3 1 1 6 806 1 1 4 TRP HD1 H 4.458 3.259 0.330 1.00 . A A . 4 TRP HD1 1 1 6 807 1 1 4 TRP HE1 H 6.477 1.876 0.975 1.00 . A A . 4 TRP HE1 1 1 6 808 1 1 4 TRP HE3 H 2.877 -1.120 -1.489 1.00 . A A . 4 TRP HE3 1 1 6 809 1 1 4 TRP HH2 H 6.401 -2.882 -0.208 1.00 . A A . 4 TRP HH2 1 1 6 810 1 1 4 TRP HZ2 H 7.183 -0.810 0.670 1.00 . A A . 4 TRP HZ2 1 1 6 811 1 1 4 TRP HZ3 H 4.278 -3.033 -1.273 1.00 . A A . 4 TRP HZ3 1 1 6 812 1 1 4 TRP N N 1.610 2.658 1.204 1.00 . A A . 4 TRP N 1 1 6 813 1 1 4 TRP NE1 N 5.666 1.534 0.500 1.00 . A A . 4 TRP NE1 1 1 6 814 1 1 4 TRP O O -0.174 -0.055 -0.053 1.00 . A A . 4 TRP O 1 1 6 815 1 1 5 ALA C C 0.095 -1.708 2.214 1.00 . A A . 5 ALA C 1 1 6 816 1 1 5 ALA CA C 1.481 -1.540 1.601 1.00 . A A . 5 ALA CA 1 1 6 817 1 1 5 ALA CB C 2.554 -1.970 2.590 1.00 . A A . 5 ALA CB 1 1 6 818 1 1 5 ALA H H 2.521 0.318 1.499 1.00 . A A . 5 ALA H 1 1 6 819 1 1 5 ALA HA H 1.543 -2.130 0.796 1.00 . A A . 5 ALA HA 1 1 6 820 1 1 5 ALA HB1 H 2.525 -1.372 3.391 1.00 . A A . 5 ALA HB1 1 1 6 821 1 1 5 ALA HB2 H 2.393 -2.915 2.874 1.00 . A A . 5 ALA HB2 1 1 6 822 1 1 5 ALA HB3 H 3.452 -1.901 2.155 1.00 . A A . 5 ALA HB3 1 1 6 823 1 1 5 ALA N N 1.705 -0.163 1.180 1.00 . A A . 5 ALA N 1 1 6 824 1 1 5 ALA O O -0.495 -2.787 2.156 1.00 . A A . 5 ALA O 1 1 6 825 1 1 6 VAL C C -2.787 -1.214 2.470 1.00 . A A . 6 VAL C 1 1 6 826 1 1 6 VAL CA C -1.740 -0.661 3.427 1.00 . A A . 6 VAL CA 1 1 6 827 1 1 6 VAL CB C -2.169 0.741 3.890 1.00 . A A . 6 VAL CB 1 1 6 828 1 1 6 VAL CG1 C -1.216 1.272 4.950 1.00 . A A . 6 VAL CG1 1 1 6 829 1 1 6 VAL CG2 C -2.245 1.694 2.706 1.00 . A A . 6 VAL CG2 1 1 6 830 1 1 6 VAL H H 0.108 0.216 2.819 1.00 . A A . 6 VAL H 1 1 6 831 1 1 6 VAL HA H -1.692 -1.276 4.214 1.00 . A A . 6 VAL HA 1 1 6 832 1 1 6 VAL HB H -3.072 0.658 4.311 1.00 . A A . 6 VAL HB 1 1 6 833 1 1 6 VAL HG11 H -0.291 1.331 4.575 1.00 . A A . 6 VAL HG11 1 1 6 834 1 1 6 VAL HG12 H -1.521 2.182 5.229 1.00 . A A . 6 VAL HG12 1 1 6 835 1 1 6 VAL HG13 H -1.216 0.662 5.743 1.00 . A A . 6 VAL HG13 1 1 6 836 1 1 6 VAL HG21 H -2.914 1.355 2.044 1.00 . A A . 6 VAL HG21 1 1 6 837 1 1 6 VAL HG22 H -2.525 2.597 3.031 1.00 . A A . 6 VAL HG22 1 1 6 838 1 1 6 VAL HG23 H -1.348 1.760 2.269 1.00 . A A . 6 VAL HG23 1 1 6 839 1 1 6 VAL N N -0.421 -0.633 2.803 1.00 . A A . 6 VAL N 1 1 6 840 1 1 6 VAL O O -3.771 -1.820 2.893 1.00 . A A . 6 VAL O 1 1 6 841 1 1 7 GLY C C -2.861 -2.430 -0.815 1.00 . A A . 7 GLY C 1 1 6 842 1 1 7 GLY CA C -3.508 -1.483 0.177 1.00 . A A . 7 GLY CA 1 1 6 843 1 1 7 GLY H H -1.756 -0.500 0.886 1.00 . A A . 7 GLY H 1 1 6 844 1 1 7 GLY HA2 H -4.252 -1.964 0.641 1.00 . A A . 7 GLY HA2 1 1 6 845 1 1 7 GLY HA3 H -3.878 -0.699 -0.322 1.00 . A A . 7 GLY HA3 1 1 6 846 1 1 7 GLY N N -2.572 -1.000 1.175 1.00 . A A . 7 GLY N 1 1 6 847 1 1 7 GLY O O -3.510 -3.342 -1.327 1.00 . A A . 7 GLY O 1 1 6 848 1 1 8 HIS C C -0.469 -4.385 -1.383 1.00 . A A . 8 HIS C 1 1 6 849 1 1 8 HIS CA C -0.843 -3.053 -2.026 1.00 . A A . 8 HIS CA 1 1 6 850 1 1 8 HIS CB C 0.415 -2.333 -2.508 1.00 . A A . 8 HIS CB 1 1 6 851 1 1 8 HIS CD2 C -0.605 -1.623 -4.789 1.00 . A A . 8 HIS CD2 1 1 6 852 1 1 8 HIS CE1 C 1.213 -1.798 -5.997 1.00 . A A . 8 HIS CE1 1 1 6 853 1 1 8 HIS CG C 0.415 -2.029 -3.982 1.00 . A A . 8 HIS CG 1 1 6 854 1 1 8 HIS H H -1.105 -1.455 -0.637 1.00 . A A . 8 HIS H 1 1 6 855 1 1 8 HIS HA H -1.439 -3.242 -2.806 1.00 . A A . 8 HIS HA 1 1 6 856 1 1 8 HIS HB2 H 0.496 -1.470 -2.010 1.00 . A A . 8 HIS HB2 1 1 6 857 1 1 8 HIS HB3 H 1.207 -2.910 -2.307 1.00 . A A . 8 HIS HB3 1 1 6 858 1 1 8 HIS HD2 H -1.552 -1.458 -4.514 1.00 . A A . 8 HIS HD2 1 1 6 859 1 1 8 HIS HE1 H 1.839 -1.783 -6.777 1.00 . A A . 8 HIS HE1 1 1 6 860 1 1 8 HIS HE2 H -0.563 -1.198 -6.892 1.00 . A A . 8 HIS HE2 1 1 6 861 1 1 8 HIS N N -1.578 -2.213 -1.087 1.00 . A A . 8 HIS N 1 1 6 862 1 1 8 HIS ND1 N 1.555 -2.133 -4.762 1.00 . A A . 8 HIS ND1 1 1 6 863 1 1 8 HIS NE2 N -0.083 -1.482 -6.062 1.00 . A A . 8 HIS NE2 1 1 6 864 1 1 8 HIS O O -0.183 -5.362 -2.077 1.00 . A A . 8 HIS O 1 1 6 865 1 1 9 LEU C C -1.281 -6.055 1.591 1.00 . A A . 9 LEU C 1 1 6 866 1 1 9 LEU CA C -0.133 -5.631 0.681 1.00 . A A . 9 LEU CA 1 1 6 867 1 1 9 LEU CB C 1.134 -5.409 1.509 1.00 . A A . 9 LEU CB 1 1 6 868 1 1 9 LEU CD1 C 3.632 -5.333 1.702 1.00 . A A . 9 LEU CD1 1 1 6 869 1 1 9 LEU CD2 C 2.545 -7.064 0.262 1.00 . A A . 9 LEU CD2 1 1 6 870 1 1 9 LEU CG C 2.460 -5.637 0.782 1.00 . A A . 9 LEU CG 1 1 6 871 1 1 9 LEU H H -0.712 -3.589 0.451 1.00 . A A . 9 LEU H 1 1 6 872 1 1 9 LEU HA H 0.028 -6.364 0.020 1.00 . A A . 9 LEU HA 1 1 6 873 1 1 9 LEU HB2 H 1.124 -4.464 1.837 1.00 . A A . 9 LEU HB2 1 1 6 874 1 1 9 LEU HB3 H 1.103 -6.033 2.290 1.00 . A A . 9 LEU HB3 1 1 6 875 1 1 9 LEU HD11 H 3.585 -4.379 1.999 1.00 . A A . 9 LEU HD11 1 1 6 876 1 1 9 LEU HD12 H 3.594 -5.933 2.501 1.00 . A A . 9 LEU HD12 1 1 6 877 1 1 9 LEU HD13 H 4.489 -5.487 1.210 1.00 . A A . 9 LEU HD13 1 1 6 878 1 1 9 LEU HD21 H 1.787 -7.226 -0.370 1.00 . A A . 9 LEU HD21 1 1 6 879 1 1 9 LEU HD22 H 3.413 -7.211 -0.213 1.00 . A A . 9 LEU HD22 1 1 6 880 1 1 9 LEU HD23 H 2.476 -7.696 1.034 1.00 . A A . 9 LEU HD23 1 1 6 881 1 1 9 LEU HG H 2.504 -5.036 -0.016 1.00 . A A . 9 LEU HG 1 1 6 882 1 1 9 LEU N N -0.472 -4.417 -0.056 1.00 . A A . 9 LEU N 1 1 6 883 1 1 9 LEU O O -1.966 -7.041 1.322 1.00 . A A . 9 LEU O 1 1 6 884 1 1 10 MET C C -3.723 -4.634 3.434 1.00 . A A . 10 MET C 1 1 6 885 1 1 10 MET CA C -2.555 -5.598 3.613 1.00 . A A . 10 MET CA 1 1 6 886 1 1 10 MET CB C -2.030 -5.519 5.048 1.00 . A A . 10 MET CB 1 1 6 887 1 1 10 MET CE C 0.793 -2.511 5.691 1.00 . A A . 10 MET CE 1 1 6 888 1 1 10 MET CG C -1.399 -4.180 5.392 1.00 . A A . 10 MET CG 1 1 6 889 1 1 10 MET H H -0.893 -4.514 2.831 1.00 . A A . 10 MET H 1 1 6 890 1 1 10 MET HA H -2.888 -6.521 3.419 1.00 . A A . 10 MET HA 1 1 6 891 1 1 10 MET HB2 H -2.793 -5.678 5.674 1.00 . A A . 10 MET HB2 1 1 6 892 1 1 10 MET HB3 H -1.342 -6.234 5.173 1.00 . A A . 10 MET HB3 1 1 6 893 1 1 10 MET HE1 H 0.343 -1.890 5.049 1.00 . A A . 10 MET HE1 1 1 6 894 1 1 10 MET HE2 H 0.464 -2.329 6.617 1.00 . A A . 10 MET HE2 1 1 6 895 1 1 10 MET HE3 H 1.782 -2.368 5.655 1.00 . A A . 10 MET HE3 1 1 6 896 1 1 10 MET HG2 H -1.767 -3.489 4.770 1.00 . A A . 10 MET HG2 1 1 6 897 1 1 10 MET HG3 H -1.648 -3.947 6.332 1.00 . A A . 10 MET HG3 1 1 6 898 1 1 10 MET N N -1.486 -5.302 2.667 1.00 . A A . 10 MET N 1 1 6 899 1 1 10 MET O O -4.709 -4.693 4.172 1.00 . A A . 10 MET O 1 1 6 900 1 1 10 MET SD S 0.399 -4.201 5.248 1.00 . A A . 10 MET SD 1 1 7 901 1 1 1 GLY C C -0.115 9.467 3.219 1.00 . A A . 1 GLY C 1 1 7 902 1 1 1 GLY CA C -0.402 10.790 2.537 1.00 . A A . 1 GLY CA 1 1 7 903 1 1 1 GLY H1 H -1.639 11.531 3.949 1.00 . A A . 1 GLY H1 1 1 7 904 1 1 1 GLY H2 H -1.806 12.239 2.486 1.00 . A A . 1 GLY H2 1 1 7 905 1 1 1 GLY H3 H -2.409 10.743 2.744 1.00 . A A . 1 GLY H3 1 1 7 906 1 1 1 GLY HA2 H -0.434 10.641 1.549 1.00 . A A . 1 GLY HA2 1 1 7 907 1 1 1 GLY HA3 H 0.336 11.430 2.754 1.00 . A A . 1 GLY HA3 1 1 7 908 1 1 1 GLY N N -1.662 11.371 2.962 1.00 . A A . 1 GLY N 1 1 7 909 1 1 1 GLY O O 0.952 9.281 3.803 1.00 . A A . 1 GLY O 1 1 7 910 1 1 2 ASN C C 0.166 6.422 3.052 1.00 . A A . 2 ASN C 1 1 7 911 1 1 2 ASN CA C -0.915 7.233 3.762 1.00 . A A . 2 ASN CA 1 1 7 912 1 1 2 ASN CB C -2.242 6.473 3.733 1.00 . A A . 2 ASN CB 1 1 7 913 1 1 2 ASN CG C -3.083 6.729 4.968 1.00 . A A . 2 ASN CG 1 1 7 914 1 1 2 ASN H H -1.915 8.756 2.654 1.00 . A A . 2 ASN H 1 1 7 915 1 1 2 ASN HA H -0.593 7.388 4.696 1.00 . A A . 2 ASN HA 1 1 7 916 1 1 2 ASN HB2 H -2.759 6.761 2.927 1.00 . A A . 2 ASN HB2 1 1 7 917 1 1 2 ASN HB3 H -2.049 5.494 3.673 1.00 . A A . 2 ASN HB3 1 1 7 918 1 1 2 ASN HD21 H -1.659 5.918 6.155 1.00 . A A . 2 ASN HD21 1 1 7 919 1 1 2 ASN HD22 H -3.070 6.494 6.977 1.00 . A A . 2 ASN HD22 1 1 7 920 1 1 2 ASN N N -1.070 8.545 3.145 1.00 . A A . 2 ASN N 1 1 7 921 1 1 2 ASN ND2 N -2.561 6.349 6.129 1.00 . A A . 2 ASN ND2 1 1 7 922 1 1 2 ASN O O 0.773 6.887 2.088 1.00 . A A . 2 ASN O 1 1 7 923 1 1 2 ASN OD1 O -4.188 7.263 4.880 1.00 . A A . 2 ASN OD1 1 1 7 924 1 1 3 HIS C C 0.856 3.627 1.709 1.00 . A A . 3 HIS C 1 1 7 925 1 1 3 HIS CA C 1.405 4.329 2.948 1.00 . A A . 3 HIS CA 1 1 7 926 1 1 3 HIS CB C 1.872 3.292 3.970 1.00 . A A . 3 HIS CB 1 1 7 927 1 1 3 HIS CD2 C 4.231 2.297 3.536 1.00 . A A . 3 HIS CD2 1 1 7 928 1 1 3 HIS CE1 C 5.383 3.724 4.732 1.00 . A A . 3 HIS CE1 1 1 7 929 1 1 3 HIS CG C 3.368 3.196 4.088 1.00 . A A . 3 HIS CG 1 1 7 930 1 1 3 HIS H H -0.128 4.885 4.324 1.00 . A A . 3 HIS H 1 1 7 931 1 1 3 HIS HA H 2.181 4.893 2.666 1.00 . A A . 3 HIS HA 1 1 7 932 1 1 3 HIS HB2 H 1.501 3.538 4.865 1.00 . A A . 3 HIS HB2 1 1 7 933 1 1 3 HIS HB3 H 1.519 2.397 3.698 1.00 . A A . 3 HIS HB3 1 1 7 934 1 1 3 HIS HD2 H 3.991 1.530 2.941 1.00 . A A . 3 HIS HD2 1 1 7 935 1 1 3 HIS HE1 H 6.149 4.192 5.173 1.00 . A A . 3 HIS HE1 1 1 7 936 1 1 3 HIS HE2 H 6.366 2.194 3.731 1.00 . A A . 3 HIS HE2 1 1 7 937 1 1 3 HIS N N 0.399 5.206 3.537 1.00 . A A . 3 HIS N 1 1 7 938 1 1 3 HIS ND1 N 4.113 4.089 4.840 1.00 . A A . 3 HIS ND1 1 1 7 939 1 1 3 HIS NE2 N 5.503 2.646 3.954 1.00 . A A . 3 HIS NE2 1 1 7 940 1 1 3 HIS O O -0.228 3.956 1.227 1.00 . A A . 3 HIS O 1 1 7 941 1 1 4 TRP C C 0.846 0.472 0.381 1.00 . A A . 4 TRP C 1 1 7 942 1 1 4 TRP CA C 1.198 1.911 0.019 1.00 . A A . 4 TRP CA 1 1 7 943 1 1 4 TRP CB C 2.309 1.929 -1.032 1.00 . A A . 4 TRP CB 1 1 7 944 1 1 4 TRP CD1 C 4.563 2.274 0.136 1.00 . A A . 4 TRP CD1 1 1 7 945 1 1 4 TRP CD2 C 4.197 0.176 -0.557 1.00 . A A . 4 TRP CD2 1 1 7 946 1 1 4 TRP CE2 C 5.461 0.231 0.064 1.00 . A A . 4 TRP CE2 1 1 7 947 1 1 4 TRP CE3 C 3.751 -1.044 -1.071 1.00 . A A . 4 TRP CE3 1 1 7 948 1 1 4 TRP CG C 3.639 1.494 -0.500 1.00 . A A . 4 TRP CG 1 1 7 949 1 1 4 TRP CH2 C 5.818 -2.071 -0.331 1.00 . A A . 4 TRP CH2 1 1 7 950 1 1 4 TRP CZ2 C 6.280 -0.888 0.182 1.00 . A A . 4 TRP CZ2 1 1 7 951 1 1 4 TRP CZ3 C 4.566 -2.154 -0.953 1.00 . A A . 4 TRP CZ3 1 1 7 952 1 1 4 TRP H H 2.481 2.438 1.640 1.00 . A A . 4 TRP H 1 1 7 953 1 1 4 TRP HA H 0.367 2.342 -0.333 1.00 . A A . 4 TRP HA 1 1 7 954 1 1 4 TRP HB2 H 2.052 1.315 -1.778 1.00 . A A . 4 TRP HB2 1 1 7 955 1 1 4 TRP HB3 H 2.400 2.861 -1.384 1.00 . A A . 4 TRP HB3 1 1 7 956 1 1 4 TRP HD1 H 4.457 3.250 0.326 1.00 . A A . 4 TRP HD1 1 1 7 957 1 1 4 TRP HE1 H 6.474 1.858 0.950 1.00 . A A . 4 TRP HE1 1 1 7 958 1 1 4 TRP HE3 H 2.858 -1.114 -1.516 1.00 . A A . 4 TRP HE3 1 1 7 959 1 1 4 TRP HH2 H 6.384 -2.893 -0.261 1.00 . A A . 4 TRP HH2 1 1 7 960 1 1 4 TRP HZ2 H 7.174 -0.826 0.626 1.00 . A A . 4 TRP HZ2 1 1 7 961 1 1 4 TRP HZ3 H 4.255 -3.031 -1.319 1.00 . A A . 4 TRP HZ3 1 1 7 962 1 1 4 TRP N N 1.610 2.659 1.201 1.00 . A A . 4 TRP N 1 1 7 963 1 1 4 TRP NE1 N 5.660 1.521 0.477 1.00 . A A . 4 TRP NE1 1 1 7 964 1 1 4 TRP O O -0.178 -0.054 -0.054 1.00 . A A . 4 TRP O 1 1 7 965 1 1 5 ALA C C 0.094 -1.706 2.212 1.00 . A A . 5 ALA C 1 1 7 966 1 1 5 ALA CA C 1.479 -1.537 1.598 1.00 . A A . 5 ALA CA 1 1 7 967 1 1 5 ALA CB C 2.553 -1.966 2.588 1.00 . A A . 5 ALA CB 1 1 7 968 1 1 5 ALA H H 2.518 0.321 1.495 1.00 . A A . 5 ALA H 1 1 7 969 1 1 5 ALA HA H 1.540 -2.127 0.793 1.00 . A A . 5 ALA HA 1 1 7 970 1 1 5 ALA HB1 H 2.523 -1.368 3.389 1.00 . A A . 5 ALA HB1 1 1 7 971 1 1 5 ALA HB2 H 2.393 -2.912 2.872 1.00 . A A . 5 ALA HB2 1 1 7 972 1 1 5 ALA HB3 H 3.451 -1.895 2.153 1.00 . A A . 5 ALA HB3 1 1 7 973 1 1 5 ALA N N 1.701 -0.160 1.177 1.00 . A A . 5 ALA N 1 1 7 974 1 1 5 ALA O O -0.494 -2.787 2.154 1.00 . A A . 5 ALA O 1 1 7 975 1 1 6 VAL C C -2.788 -1.217 2.467 1.00 . A A . 6 VAL C 1 1 7 976 1 1 6 VAL CA C -1.742 -0.661 3.425 1.00 . A A . 6 VAL CA 1 1 7 977 1 1 6 VAL CB C -2.174 0.740 3.888 1.00 . A A . 6 VAL CB 1 1 7 978 1 1 6 VAL CG1 C -1.222 1.272 4.948 1.00 . A A . 6 VAL CG1 1 1 7 979 1 1 6 VAL CG2 C -2.251 1.693 2.703 1.00 . A A . 6 VAL CG2 1 1 7 980 1 1 6 VAL H H 0.105 0.217 2.817 1.00 . A A . 6 VAL H 1 1 7 981 1 1 6 VAL HA H -1.693 -1.275 4.212 1.00 . A A . 6 VAL HA 1 1 7 982 1 1 6 VAL HB H -3.077 0.655 4.309 1.00 . A A . 6 VAL HB 1 1 7 983 1 1 6 VAL HG11 H -0.297 1.333 4.574 1.00 . A A . 6 VAL HG11 1 1 7 984 1 1 6 VAL HG12 H -1.529 2.182 5.228 1.00 . A A . 6 VAL HG12 1 1 7 985 1 1 6 VAL HG13 H -1.221 0.662 5.741 1.00 . A A . 6 VAL HG13 1 1 7 986 1 1 6 VAL HG21 H -2.919 1.353 2.041 1.00 . A A . 6 VAL HG21 1 1 7 987 1 1 6 VAL HG22 H -2.533 2.596 3.027 1.00 . A A . 6 VAL HG22 1 1 7 988 1 1 6 VAL HG23 H -1.354 1.761 2.267 1.00 . A A . 6 VAL HG23 1 1 7 989 1 1 6 VAL N N -0.423 -0.632 2.801 1.00 . A A . 6 VAL N 1 1 7 990 1 1 6 VAL O O -3.771 -1.826 2.891 1.00 . A A . 6 VAL O 1 1 7 991 1 1 7 GLY C C -2.862 -2.430 -0.818 1.00 . A A . 7 GLY C 1 1 7 992 1 1 7 GLY CA C -3.510 -1.487 0.176 1.00 . A A . 7 GLY CA 1 1 7 993 1 1 7 GLY H H -1.760 -0.500 0.885 1.00 . A A . 7 GLY H 1 1 7 994 1 1 7 GLY HA2 H -4.252 -1.971 0.640 1.00 . A A . 7 GLY HA2 1 1 7 995 1 1 7 GLY HA3 H -3.883 -0.704 -0.321 1.00 . A A . 7 GLY HA3 1 1 7 996 1 1 7 GLY N N -2.575 -1.002 1.174 1.00 . A A . 7 GLY N 1 1 7 997 1 1 7 GLY O O -3.510 -3.337 -1.340 1.00 . A A . 7 GLY O 1 1 7 998 1 1 8 HIS C C -0.464 -4.387 -1.380 1.00 . A A . 8 HIS C 1 1 7 999 1 1 8 HIS CA C -0.839 -3.054 -2.020 1.00 . A A . 8 HIS CA 1 1 7 1000 1 1 8 HIS CB C 0.420 -2.333 -2.500 1.00 . A A . 8 HIS CB 1 1 7 1001 1 1 8 HIS CD2 C -0.567 -1.554 -4.772 1.00 . A A . 8 HIS CD2 1 1 7 1002 1 1 8 HIS CE1 C 1.217 -1.877 -6.000 1.00 . A A . 8 HIS CE1 1 1 7 1003 1 1 8 HIS CG C 0.427 -2.035 -3.974 1.00 . A A . 8 HIS CG 1 1 7 1004 1 1 8 HIS H H -1.103 -1.462 -0.626 1.00 . A A . 8 HIS H 1 1 7 1005 1 1 8 HIS HA H -1.434 -3.242 -2.802 1.00 . A A . 8 HIS HA 1 1 7 1006 1 1 8 HIS HB2 H 0.497 -1.468 -2.005 1.00 . A A . 8 HIS HB2 1 1 7 1007 1 1 8 HIS HB3 H 1.212 -2.907 -2.293 1.00 . A A . 8 HIS HB3 1 1 7 1008 1 1 8 HIS HD2 H -1.495 -1.314 -4.487 1.00 . A A . 8 HIS HD2 1 1 7 1009 1 1 8 HIS HE1 H 1.833 -1.914 -6.787 1.00 . A A . 8 HIS HE1 1 1 7 1010 1 1 8 HIS HE2 H -0.517 -1.143 -6.878 1.00 . A A . 8 HIS HE2 1 1 7 1011 1 1 8 HIS N N -1.576 -2.216 -1.082 1.00 . A A . 8 HIS N 1 1 7 1012 1 1 8 HIS ND1 N 1.545 -2.233 -4.768 1.00 . A A . 8 HIS ND1 1 1 7 1013 1 1 8 HIS NE2 N -0.051 -1.460 -6.052 1.00 . A A . 8 HIS NE2 1 1 7 1014 1 1 8 HIS O O -0.172 -5.362 -2.075 1.00 . A A . 8 HIS O 1 1 7 1015 1 1 9 LEU C C -1.284 -6.065 1.589 1.00 . A A . 9 LEU C 1 1 7 1016 1 1 9 LEU CA C -0.135 -5.638 0.682 1.00 . A A . 9 LEU CA 1 1 7 1017 1 1 9 LEU CB C 1.130 -5.418 1.513 1.00 . A A . 9 LEU CB 1 1 7 1018 1 1 9 LEU CD1 C 3.627 -5.337 1.710 1.00 . A A . 9 LEU CD1 1 1 7 1019 1 1 9 LEU CD2 C 2.545 -7.065 0.261 1.00 . A A . 9 LEU CD2 1 1 7 1020 1 1 9 LEU CG C 2.458 -5.639 0.787 1.00 . A A . 9 LEU CG 1 1 7 1021 1 1 9 LEU H H -0.720 -3.598 0.457 1.00 . A A . 9 LEU H 1 1 7 1022 1 1 9 LEU HA H 0.028 -6.369 0.019 1.00 . A A . 9 LEU HA 1 1 7 1023 1 1 9 LEU HB2 H 1.118 -4.475 1.846 1.00 . A A . 9 LEU HB2 1 1 7 1024 1 1 9 LEU HB3 H 1.099 -6.046 2.290 1.00 . A A . 9 LEU HB3 1 1 7 1025 1 1 9 LEU HD11 H 3.589 -5.941 2.506 1.00 . A A . 9 LEU HD11 1 1 7 1026 1 1 9 LEU HD12 H 4.485 -5.487 1.219 1.00 . A A . 9 LEU HD12 1 1 7 1027 1 1 9 LEU HD13 H 3.577 -4.385 2.011 1.00 . A A . 9 LEU HD13 1 1 7 1028 1 1 9 LEU HD21 H 1.788 -7.225 -0.373 1.00 . A A . 9 LEU HD21 1 1 7 1029 1 1 9 LEU HD22 H 3.413 -7.209 -0.213 1.00 . A A . 9 LEU HD22 1 1 7 1030 1 1 9 LEU HD23 H 2.476 -7.701 1.030 1.00 . A A . 9 LEU HD23 1 1 7 1031 1 1 9 LEU HG H 2.501 -5.034 -0.008 1.00 . A A . 9 LEU HG 1 1 7 1032 1 1 9 LEU N N -0.474 -4.423 -0.052 1.00 . A A . 9 LEU N 1 1 7 1033 1 1 9 LEU O O -1.953 -7.065 1.330 1.00 . A A . 9 LEU O 1 1 7 1034 1 1 10 MET C C -3.733 -4.608 3.439 1.00 . A A . 10 MET C 1 1 7 1035 1 1 10 MET CA C -2.582 -5.596 3.594 1.00 . A A . 10 MET CA 1 1 7 1036 1 1 10 MET CB C -2.052 -5.560 5.029 1.00 . A A . 10 MET CB 1 1 7 1037 1 1 10 MET CE C 0.961 -3.655 5.854 1.00 . A A . 10 MET CE 1 1 7 1038 1 1 10 MET CG C -1.744 -4.158 5.527 1.00 . A A . 10 MET CG 1 1 7 1039 1 1 10 MET H H -0.931 -4.498 2.807 1.00 . A A . 10 MET H 1 1 7 1040 1 1 10 MET HA H -2.932 -6.508 3.381 1.00 . A A . 10 MET HA 1 1 7 1041 1 1 10 MET HB2 H -2.740 -5.965 5.631 1.00 . A A . 10 MET HB2 1 1 7 1042 1 1 10 MET HB3 H -1.212 -6.102 5.071 1.00 . A A . 10 MET HB3 1 1 7 1043 1 1 10 MET HE1 H 1.121 -4.332 5.136 1.00 . A A . 10 MET HE1 1 1 7 1044 1 1 10 MET HE2 H 0.793 -2.761 5.438 1.00 . A A . 10 MET HE2 1 1 7 1045 1 1 10 MET HE3 H 1.765 -3.601 6.447 1.00 . A A . 10 MET HE3 1 1 7 1046 1 1 10 MET HG2 H -1.432 -3.610 4.751 1.00 . A A . 10 MET HG2 1 1 7 1047 1 1 10 MET HG3 H -2.585 -3.763 5.896 1.00 . A A . 10 MET HG3 1 1 7 1048 1 1 10 MET N N -1.510 -5.298 2.651 1.00 . A A . 10 MET N 1 1 7 1049 1 1 10 MET O O -4.804 -4.958 2.942 1.00 . A A . 10 MET O 1 1 7 1050 1 1 10 MET SD S -0.475 -4.139 6.808 1.00 . A A . 10 MET SD 1 1 8 1051 1 1 1 GLY C C -0.377 9.592 3.657 1.00 . A A . 1 GLY C 1 1 8 1052 1 1 1 GLY CA C -0.616 10.915 2.956 1.00 . A A . 1 GLY CA 1 1 8 1053 1 1 1 GLY H1 H -1.502 11.857 4.505 1.00 . A A . 1 GLY H1 1 1 8 1054 1 1 1 GLY H2 H -1.828 12.526 3.052 1.00 . A A . 1 GLY H2 1 1 8 1055 1 1 1 GLY H3 H -2.551 11.129 3.488 1.00 . A A . 1 GLY H3 1 1 8 1056 1 1 1 GLY HA2 H -0.831 10.735 1.996 1.00 . A A . 1 GLY HA2 1 1 8 1057 1 1 1 GLY HA3 H 0.218 11.464 3.013 1.00 . A A . 1 GLY HA3 1 1 8 1058 1 1 1 GLY N N -1.709 11.665 3.546 1.00 . A A . 1 GLY N 1 1 8 1059 1 1 1 GLY O O 0.412 9.514 4.598 1.00 . A A . 1 GLY O 1 1 8 1060 1 1 2 ASN C C 0.167 6.424 3.080 1.00 . A A . 2 ASN C 1 1 8 1061 1 1 2 ASN CA C -0.922 7.223 3.790 1.00 . A A . 2 ASN CA 1 1 8 1062 1 1 2 ASN CB C -2.251 6.469 3.720 1.00 . A A . 2 ASN CB 1 1 8 1063 1 1 2 ASN CG C -3.118 6.711 4.940 1.00 . A A . 2 ASN CG 1 1 8 1064 1 1 2 ASN H H -1.688 8.676 2.429 1.00 . A A . 2 ASN H 1 1 8 1065 1 1 2 ASN HA H -0.615 7.357 4.732 1.00 . A A . 2 ASN HA 1 1 8 1066 1 1 2 ASN HB2 H -2.749 6.771 2.907 1.00 . A A . 2 ASN HB2 1 1 8 1067 1 1 2 ASN HB3 H -2.061 5.490 3.650 1.00 . A A . 2 ASN HB3 1 1 8 1068 1 1 2 ASN HD21 H -2.746 8.698 4.858 1.00 . A A . 2 ASN HD21 1 1 8 1069 1 1 2 ASN HD22 H -3.782 8.190 6.150 1.00 . A A . 2 ASN HD22 1 1 8 1070 1 1 2 ASN N N -1.062 8.549 3.198 1.00 . A A . 2 ASN N 1 1 8 1071 1 1 2 ASN ND2 N -3.224 7.970 5.350 1.00 . A A . 2 ASN ND2 1 1 8 1072 1 1 2 ASN O O 0.796 6.910 2.139 1.00 . A A . 2 ASN O 1 1 8 1073 1 1 2 ASN OD1 O -3.685 5.778 5.508 1.00 . A A . 2 ASN OD1 1 1 8 1074 1 1 3 HIS C C 0.852 3.623 1.708 1.00 . A A . 3 HIS C 1 1 8 1075 1 1 3 HIS CA C 1.398 4.328 2.946 1.00 . A A . 3 HIS CA 1 1 8 1076 1 1 3 HIS CB C 1.874 3.293 3.967 1.00 . A A . 3 HIS CB 1 1 8 1077 1 1 3 HIS CD2 C 4.235 2.313 3.508 1.00 . A A . 3 HIS CD2 1 1 8 1078 1 1 3 HIS CE1 C 5.388 3.730 4.713 1.00 . A A . 3 HIS CE1 1 1 8 1079 1 1 3 HIS CG C 3.372 3.201 4.075 1.00 . A A . 3 HIS CG 1 1 8 1080 1 1 3 HIS H H -0.159 4.858 4.305 1.00 . A A . 3 HIS H 1 1 8 1081 1 1 3 HIS HA H 2.169 4.898 2.663 1.00 . A A . 3 HIS HA 1 1 8 1082 1 1 3 HIS HB2 H 1.508 3.540 4.864 1.00 . A A . 3 HIS HB2 1 1 8 1083 1 1 3 HIS HB3 H 1.522 2.396 3.699 1.00 . A A . 3 HIS HB3 1 1 8 1084 1 1 3 HIS HD2 H 3.995 1.551 2.906 1.00 . A A . 3 HIS HD2 1 1 8 1085 1 1 3 HIS HE1 H 6.154 4.196 5.155 1.00 . A A . 3 HIS HE1 1 1 8 1086 1 1 3 HIS HE2 H 6.372 2.218 3.688 1.00 . A A . 3 HIS HE2 1 1 8 1087 1 1 3 HIS N N 0.385 5.196 3.537 1.00 . A A . 3 HIS N 1 1 8 1088 1 1 3 HIS ND1 N 4.117 4.089 4.833 1.00 . A A . 3 HIS ND1 1 1 8 1089 1 1 3 HIS NE2 N 5.508 2.663 3.922 1.00 . A A . 3 HIS NE2 1 1 8 1090 1 1 3 HIS O O -0.233 3.946 1.225 1.00 . A A . 3 HIS O 1 1 8 1091 1 1 4 TRP C C 0.851 0.470 0.380 1.00 . A A . 4 TRP C 1 1 8 1092 1 1 4 TRP CA C 1.205 1.908 0.017 1.00 . A A . 4 TRP CA 1 1 8 1093 1 1 4 TRP CB C 2.319 1.924 -1.030 1.00 . A A . 4 TRP CB 1 1 8 1094 1 1 4 TRP CD1 C 4.570 2.281 0.142 1.00 . A A . 4 TRP CD1 1 1 8 1095 1 1 4 TRP CD2 C 4.208 0.178 -0.533 1.00 . A A . 4 TRP CD2 1 1 8 1096 1 1 4 TRP CE2 C 5.470 0.239 0.091 1.00 . A A . 4 TRP CE2 1 1 8 1097 1 1 4 TRP CE3 C 3.765 -1.048 -1.038 1.00 . A A . 4 TRP CE3 1 1 8 1098 1 1 4 TRP CG C 3.650 1.495 -0.489 1.00 . A A . 4 TRP CG 1 1 8 1099 1 1 4 TRP CH2 C 5.832 -2.065 -0.282 1.00 . A A . 4 TRP CH2 1 1 8 1100 1 1 4 TRP CZ2 C 6.290 -0.878 0.221 1.00 . A A . 4 TRP CZ2 1 1 8 1101 1 1 4 TRP CZ3 C 4.581 -2.156 -0.908 1.00 . A A . 4 TRP CZ3 1 1 8 1102 1 1 4 TRP H H 2.484 2.441 1.639 1.00 . A A . 4 TRP H 1 1 8 1103 1 1 4 TRP HA H 0.376 2.339 -0.339 1.00 . A A . 4 TRP HA 1 1 8 1104 1 1 4 TRP HB2 H 2.067 1.305 -1.774 1.00 . A A . 4 TRP HB2 1 1 8 1105 1 1 4 TRP HB3 H 2.409 2.854 -1.386 1.00 . A A . 4 TRP HB3 1 1 8 1106 1 1 4 TRP HD1 H 4.462 3.259 0.322 1.00 . A A . 4 TRP HD1 1 1 8 1107 1 1 4 TRP HE1 H 6.479 1.873 0.968 1.00 . A A . 4 TRP HE1 1 1 8 1108 1 1 4 TRP HE3 H 2.874 -1.123 -1.486 1.00 . A A . 4 TRP HE3 1 1 8 1109 1 1 4 TRP HH2 H 6.398 -2.885 -0.203 1.00 . A A . 4 TRP HH2 1 1 8 1110 1 1 4 TRP HZ2 H 7.182 -0.811 0.667 1.00 . A A . 4 TRP HZ2 1 1 8 1111 1 1 4 TRP HZ3 H 4.273 -3.037 -1.267 1.00 . A A . 4 TRP HZ3 1 1 8 1112 1 1 4 TRP N N 1.612 2.658 1.200 1.00 . A A . 4 TRP N 1 1 8 1113 1 1 4 TRP NE1 N 5.667 1.532 0.494 1.00 . A A . 4 TRP NE1 1 1 8 1114 1 1 4 TRP O O -0.174 -0.054 -0.054 1.00 . A A . 4 TRP O 1 1 8 1115 1 1 5 ALA C C 0.095 -1.705 2.214 1.00 . A A . 5 ALA C 1 1 8 1116 1 1 5 ALA CA C 1.481 -1.539 1.600 1.00 . A A . 5 ALA CA 1 1 8 1117 1 1 5 ALA CB C 2.554 -1.969 2.590 1.00 . A A . 5 ALA CB 1 1 8 1118 1 1 5 ALA H H 2.523 0.320 1.497 1.00 . A A . 5 ALA H 1 1 8 1119 1 1 5 ALA HA H 1.541 -2.129 0.795 1.00 . A A . 5 ALA HA 1 1 8 1120 1 1 5 ALA HB1 H 2.525 -1.371 3.391 1.00 . A A . 5 ALA HB1 1 1 8 1121 1 1 5 ALA HB2 H 2.392 -2.914 2.874 1.00 . A A . 5 ALA HB2 1 1 8 1122 1 1 5 ALA HB3 H 3.452 -1.900 2.155 1.00 . A A . 5 ALA HB3 1 1 8 1123 1 1 5 ALA N N 1.706 -0.161 1.178 1.00 . A A . 5 ALA N 1 1 8 1124 1 1 5 ALA O O -0.494 -2.784 2.157 1.00 . A A . 5 ALA O 1 1 8 1125 1 1 6 VAL C C -2.787 -1.212 2.469 1.00 . A A . 6 VAL C 1 1 8 1126 1 1 6 VAL CA C -1.739 -0.657 3.426 1.00 . A A . 6 VAL CA 1 1 8 1127 1 1 6 VAL CB C -2.168 0.746 3.887 1.00 . A A . 6 VAL CB 1 1 8 1128 1 1 6 VAL CG1 C -1.216 1.277 4.947 1.00 . A A . 6 VAL CG1 1 1 8 1129 1 1 6 VAL CG2 C -2.243 1.698 2.702 1.00 . A A . 6 VAL CG2 1 1 8 1130 1 1 6 VAL H H 0.109 0.218 2.817 1.00 . A A . 6 VAL H 1 1 8 1131 1 1 6 VAL HA H -1.691 -1.271 4.214 1.00 . A A . 6 VAL HA 1 1 8 1132 1 1 6 VAL HB H -3.072 0.664 4.307 1.00 . A A . 6 VAL HB 1 1 8 1133 1 1 6 VAL HG11 H -1.218 0.668 5.740 1.00 . A A . 6 VAL HG11 1 1 8 1134 1 1 6 VAL HG12 H -0.290 1.335 4.573 1.00 . A A . 6 VAL HG12 1 1 8 1135 1 1 6 VAL HG13 H -1.521 2.188 5.225 1.00 . A A . 6 VAL HG13 1 1 8 1136 1 1 6 VAL HG21 H -2.911 1.359 2.040 1.00 . A A . 6 VAL HG21 1 1 8 1137 1 1 6 VAL HG22 H -2.523 2.602 3.025 1.00 . A A . 6 VAL HG22 1 1 8 1138 1 1 6 VAL HG23 H -1.345 1.763 2.266 1.00 . A A . 6 VAL HG23 1 1 8 1139 1 1 6 VAL N N -0.420 -0.630 2.802 1.00 . A A . 6 VAL N 1 1 8 1140 1 1 6 VAL O O -3.770 -1.818 2.893 1.00 . A A . 6 VAL O 1 1 8 1141 1 1 7 GLY C C -2.861 -2.429 -0.814 1.00 . A A . 7 GLY C 1 1 8 1142 1 1 7 GLY CA C -3.508 -1.482 0.177 1.00 . A A . 7 GLY CA 1 1 8 1143 1 1 7 GLY H H -1.755 -0.500 0.884 1.00 . A A . 7 GLY H 1 1 8 1144 1 1 7 GLY HA2 H -4.252 -1.962 0.641 1.00 . A A . 7 GLY HA2 1 1 8 1145 1 1 7 GLY HA3 H -3.878 -0.698 -0.322 1.00 . A A . 7 GLY HA3 1 1 8 1146 1 1 7 GLY N N -2.572 -0.999 1.174 1.00 . A A . 7 GLY N 1 1 8 1147 1 1 7 GLY O O -3.510 -3.341 -1.328 1.00 . A A . 7 GLY O 1 1 8 1148 1 1 8 HIS C C -0.468 -4.386 -1.380 1.00 . A A . 8 HIS C 1 1 8 1149 1 1 8 HIS CA C -0.843 -3.054 -2.024 1.00 . A A . 8 HIS CA 1 1 8 1150 1 1 8 HIS CB C 0.416 -2.335 -2.506 1.00 . A A . 8 HIS CB 1 1 8 1151 1 1 8 HIS CD2 C -0.602 -1.629 -4.788 1.00 . A A . 8 HIS CD2 1 1 8 1152 1 1 8 HIS CE1 C 1.217 -1.808 -5.995 1.00 . A A . 8 HIS CE1 1 1 8 1153 1 1 8 HIS CG C 0.418 -2.033 -3.979 1.00 . A A . 8 HIS CG 1 1 8 1154 1 1 8 HIS H H -1.105 -1.456 -0.635 1.00 . A A . 8 HIS H 1 1 8 1155 1 1 8 HIS HA H -1.440 -3.244 -2.804 1.00 . A A . 8 HIS HA 1 1 8 1156 1 1 8 HIS HB2 H 0.497 -1.471 -2.009 1.00 . A A . 8 HIS HB2 1 1 8 1157 1 1 8 HIS HB3 H 1.207 -2.912 -2.303 1.00 . A A . 8 HIS HB3 1 1 8 1158 1 1 8 HIS HD2 H -1.549 -1.463 -4.514 1.00 . A A . 8 HIS HD2 1 1 8 1159 1 1 8 HIS HE1 H 1.844 -1.795 -6.774 1.00 . A A . 8 HIS HE1 1 1 8 1160 1 1 8 HIS HE2 H -0.558 -1.209 -6.895 1.00 . A A . 8 HIS HE2 1 1 8 1161 1 1 8 HIS N N -1.578 -2.213 -1.085 1.00 . A A . 8 HIS N 1 1 8 1162 1 1 8 HIS ND1 N 1.557 -2.141 -4.758 1.00 . A A . 8 HIS ND1 1 1 8 1163 1 1 8 HIS NE2 N -0.079 -1.491 -6.063 1.00 . A A . 8 HIS NE2 1 1 8 1164 1 1 8 HIS O O -0.179 -5.363 -2.072 1.00 . A A . 8 HIS O 1 1 8 1165 1 1 9 LEU C C -1.284 -6.055 1.596 1.00 . A A . 9 LEU C 1 1 8 1166 1 1 9 LEU CA C -0.136 -5.631 0.685 1.00 . A A . 9 LEU CA 1 1 8 1167 1 1 9 LEU CB C 1.132 -5.410 1.513 1.00 . A A . 9 LEU CB 1 1 8 1168 1 1 9 LEU CD1 C 3.629 -5.333 1.703 1.00 . A A . 9 LEU CD1 1 1 8 1169 1 1 9 LEU CD2 C 2.542 -7.065 0.264 1.00 . A A . 9 LEU CD2 1 1 8 1170 1 1 9 LEU CG C 2.456 -5.638 0.784 1.00 . A A . 9 LEU CG 1 1 8 1171 1 1 9 LEU H H -0.721 -3.593 0.455 1.00 . A A . 9 LEU H 1 1 8 1172 1 1 9 LEU HA H 0.025 -6.364 0.024 1.00 . A A . 9 LEU HA 1 1 8 1173 1 1 9 LEU HB2 H 1.123 -4.466 1.842 1.00 . A A . 9 LEU HB2 1 1 8 1174 1 1 9 LEU HB3 H 1.101 -6.035 2.293 1.00 . A A . 9 LEU HB3 1 1 8 1175 1 1 9 LEU HD11 H 3.582 -4.379 1.999 1.00 . A A . 9 LEU HD11 1 1 8 1176 1 1 9 LEU HD12 H 3.592 -5.932 2.503 1.00 . A A . 9 LEU HD12 1 1 8 1177 1 1 9 LEU HD13 H 4.485 -5.487 1.210 1.00 . A A . 9 LEU HD13 1 1 8 1178 1 1 9 LEU HD21 H 1.783 -7.227 -0.367 1.00 . A A . 9 LEU HD21 1 1 8 1179 1 1 9 LEU HD22 H 3.409 -7.212 -0.212 1.00 . A A . 9 LEU HD22 1 1 8 1180 1 1 9 LEU HD23 H 2.475 -7.697 1.036 1.00 . A A . 9 LEU HD23 1 1 8 1181 1 1 9 LEU HG H 2.498 -5.037 -0.014 1.00 . A A . 9 LEU HG 1 1 8 1182 1 1 9 LEU N N -0.476 -4.419 -0.052 1.00 . A A . 9 LEU N 1 1 8 1183 1 1 9 LEU O O -1.965 -7.045 1.333 1.00 . A A . 9 LEU O 1 1 8 1184 1 1 10 MET C C -3.736 -4.632 3.425 1.00 . A A . 10 MET C 1 1 8 1185 1 1 10 MET CA C -2.563 -5.589 3.614 1.00 . A A . 10 MET CA 1 1 8 1186 1 1 10 MET CB C -2.041 -5.498 5.049 1.00 . A A . 10 MET CB 1 1 8 1187 1 1 10 MET CE C 1.064 -3.689 5.871 1.00 . A A . 10 MET CE 1 1 8 1188 1 1 10 MET CG C -1.648 -4.089 5.463 1.00 . A A . 10 MET CG 1 1 8 1189 1 1 10 MET H H -0.905 -4.503 2.827 1.00 . A A . 10 MET H 1 1 8 1190 1 1 10 MET HA H -2.891 -6.515 3.427 1.00 . A A . 10 MET HA 1 1 8 1191 1 1 10 MET HB2 H -2.757 -5.821 5.668 1.00 . A A . 10 MET HB2 1 1 8 1192 1 1 10 MET HB3 H -1.237 -6.087 5.132 1.00 . A A . 10 MET HB3 1 1 8 1193 1 1 10 MET HE1 H 1.220 -4.402 5.187 1.00 . A A . 10 MET HE1 1 1 8 1194 1 1 10 MET HE2 H 0.951 -2.807 5.414 1.00 . A A . 10 MET HE2 1 1 8 1195 1 1 10 MET HE3 H 1.848 -3.645 6.491 1.00 . A A . 10 MET HE3 1 1 8 1196 1 1 10 MET HG2 H -1.269 -3.620 4.665 1.00 . A A . 10 MET HG2 1 1 8 1197 1 1 10 MET HG3 H -2.470 -3.611 5.771 1.00 . A A . 10 MET HG3 1 1 8 1198 1 1 10 MET N N -1.494 -5.295 2.667 1.00 . A A . 10 MET N 1 1 8 1199 1 1 10 MET O O -4.352 -4.190 4.395 1.00 . A A . 10 MET O 1 1 8 1200 1 1 10 MET SD S -0.426 -4.071 6.789 1.00 . A A . 10 MET SD 1 1 9 1201 1 1 1 GLY C C -0.586 9.650 3.805 1.00 . A A . 1 GLY C 1 1 9 1202 1 1 1 GLY CA C -0.798 10.965 3.079 1.00 . A A . 1 GLY CA 1 1 9 1203 1 1 1 GLY H1 H -1.733 10.205 1.460 1.00 . A A . 1 GLY H1 1 1 9 1204 1 1 1 GLY H2 H -1.081 11.681 1.214 1.00 . A A . 1 GLY H2 1 1 9 1205 1 1 1 GLY H3 H -0.118 10.363 1.276 1.00 . A A . 1 GLY H3 1 1 9 1206 1 1 1 GLY HA2 H -0.011 11.557 3.251 1.00 . A A . 1 GLY HA2 1 1 9 1207 1 1 1 GLY HA3 H -1.626 11.399 3.435 1.00 . A A . 1 GLY HA3 1 1 9 1208 1 1 1 GLY N N -0.944 10.790 1.646 1.00 . A A . 1 GLY N 1 1 9 1209 1 1 1 GLY O O -0.023 9.621 4.898 1.00 . A A . 1 GLY O 1 1 9 1210 1 1 2 ASN C C 0.184 6.431 3.078 1.00 . A A . 2 ASN C 1 1 9 1211 1 1 2 ASN CA C -0.899 7.236 3.791 1.00 . A A . 2 ASN CA 1 1 9 1212 1 1 2 ASN CB C -2.230 6.484 3.734 1.00 . A A . 2 ASN CB 1 1 9 1213 1 1 2 ASN CG C -3.081 6.720 4.968 1.00 . A A . 2 ASN CG 1 1 9 1214 1 1 2 ASN H H -1.489 8.650 2.306 1.00 . A A . 2 ASN H 1 1 9 1215 1 1 2 ASN HA H -0.586 7.373 4.731 1.00 . A A . 2 ASN HA 1 1 9 1216 1 1 2 ASN HB2 H -2.738 6.791 2.929 1.00 . A A . 2 ASN HB2 1 1 9 1217 1 1 2 ASN HB3 H -2.042 5.505 3.655 1.00 . A A . 2 ASN HB3 1 1 9 1218 1 1 2 ASN HD21 H -1.657 5.907 6.152 1.00 . A A . 2 ASN HD21 1 1 9 1219 1 1 2 ASN HD22 H -3.077 6.462 6.974 1.00 . A A . 2 ASN HD22 1 1 9 1220 1 1 2 ASN N N -1.040 8.560 3.195 1.00 . A A . 2 ASN N 1 1 9 1221 1 1 2 ASN ND2 N -2.562 6.331 6.127 1.00 . A A . 2 ASN ND2 1 1 9 1222 1 1 2 ASN O O 0.807 6.911 2.130 1.00 . A A . 2 ASN O 1 1 9 1223 1 1 2 ASN OD1 O -4.189 7.246 4.878 1.00 . A A . 2 ASN OD1 1 1 9 1224 1 1 3 HIS C C 0.857 3.630 1.709 1.00 . A A . 3 HIS C 1 1 9 1225 1 1 3 HIS CA C 1.409 4.331 2.946 1.00 . A A . 3 HIS CA 1 1 9 1226 1 1 3 HIS CB C 1.883 3.293 3.965 1.00 . A A . 3 HIS CB 1 1 9 1227 1 1 3 HIS CD2 C 4.242 2.309 3.511 1.00 . A A . 3 HIS CD2 1 1 9 1228 1 1 3 HIS CE1 C 5.396 3.727 4.716 1.00 . A A . 3 HIS CE1 1 1 9 1229 1 1 3 HIS CG C 3.379 3.200 4.076 1.00 . A A . 3 HIS CG 1 1 9 1230 1 1 3 HIS H H -0.137 4.871 4.314 1.00 . A A . 3 HIS H 1 1 9 1231 1 1 3 HIS HA H 2.183 4.898 2.662 1.00 . A A . 3 HIS HA 1 1 9 1232 1 1 3 HIS HB2 H 1.515 3.537 4.862 1.00 . A A . 3 HIS HB2 1 1 9 1233 1 1 3 HIS HB3 H 1.531 2.397 3.693 1.00 . A A . 3 HIS HB3 1 1 9 1234 1 1 3 HIS HD2 H 4.001 1.547 2.910 1.00 . A A . 3 HIS HD2 1 1 9 1235 1 1 3 HIS HE1 H 6.163 4.192 5.158 1.00 . A A . 3 HIS HE1 1 1 9 1236 1 1 3 HIS HE2 H 6.378 2.209 3.693 1.00 . A A . 3 HIS HE2 1 1 9 1237 1 1 3 HIS N N 0.402 5.204 3.540 1.00 . A A . 3 HIS N 1 1 9 1238 1 1 3 HIS ND1 N 4.126 4.087 4.833 1.00 . A A . 3 HIS ND1 1 1 9 1239 1 1 3 HIS NE2 N 5.515 2.657 3.926 1.00 . A A . 3 HIS NE2 1 1 9 1240 1 1 3 HIS O O -0.225 3.961 1.227 1.00 . A A . 3 HIS O 1 1 9 1241 1 1 4 TRP C C 0.844 0.473 0.381 1.00 . A A . 4 TRP C 1 1 9 1242 1 1 4 TRP CA C 1.195 1.911 0.019 1.00 . A A . 4 TRP CA 1 1 9 1243 1 1 4 TRP CB C 2.304 1.929 -1.034 1.00 . A A . 4 TRP CB 1 1 9 1244 1 1 4 TRP CD1 C 4.560 2.273 0.129 1.00 . A A . 4 TRP CD1 1 1 9 1245 1 1 4 TRP CD2 C 4.191 0.175 -0.562 1.00 . A A . 4 TRP CD2 1 1 9 1246 1 1 4 TRP CE2 C 5.456 0.229 0.056 1.00 . A A . 4 TRP CE2 1 1 9 1247 1 1 4 TRP CE3 C 3.744 -1.045 -1.075 1.00 . A A . 4 TRP CE3 1 1 9 1248 1 1 4 TRP CG C 3.635 1.493 -0.505 1.00 . A A . 4 TRP CG 1 1 9 1249 1 1 4 TRP CH2 C 5.811 -2.073 -0.339 1.00 . A A . 4 TRP CH2 1 1 9 1250 1 1 4 TRP CZ2 C 6.275 -0.892 0.172 1.00 . A A . 4 TRP CZ2 1 1 9 1251 1 1 4 TRP CZ3 C 4.557 -2.155 -0.959 1.00 . A A . 4 TRP CZ3 1 1 9 1252 1 1 4 TRP H H 2.480 2.438 1.639 1.00 . A A . 4 TRP H 1 1 9 1253 1 1 4 TRP HA H 0.363 2.342 -0.331 1.00 . A A . 4 TRP HA 1 1 9 1254 1 1 4 TRP HB2 H 2.045 1.315 -1.780 1.00 . A A . 4 TRP HB2 1 1 9 1255 1 1 4 TRP HB3 H 2.395 2.861 -1.385 1.00 . A A . 4 TRP HB3 1 1 9 1256 1 1 4 TRP HD1 H 4.455 3.249 0.318 1.00 . A A . 4 TRP HD1 1 1 9 1257 1 1 4 TRP HE1 H 6.473 1.855 0.941 1.00 . A A . 4 TRP HE1 1 1 9 1258 1 1 4 TRP HE3 H 2.851 -1.115 -1.519 1.00 . A A . 4 TRP HE3 1 1 9 1259 1 1 4 TRP HH2 H 6.376 -2.896 -0.270 1.00 . A A . 4 TRP HH2 1 1 9 1260 1 1 4 TRP HZ2 H 7.170 -0.831 0.614 1.00 . A A . 4 TRP HZ2 1 1 9 1261 1 1 4 TRP HZ3 H 4.245 -3.032 -1.324 1.00 . A A . 4 TRP HZ3 1 1 9 1262 1 1 4 TRP N N 1.609 2.660 1.201 1.00 . A A . 4 TRP N 1 1 9 1263 1 1 4 TRP NE1 N 5.658 1.519 0.469 1.00 . A A . 4 TRP NE1 1 1 9 1264 1 1 4 TRP O O -0.181 -0.053 -0.052 1.00 . A A . 4 TRP O 1 1 9 1265 1 1 5 ALA C C 0.093 -1.706 2.212 1.00 . A A . 5 ALA C 1 1 9 1266 1 1 5 ALA CA C 1.479 -1.536 1.599 1.00 . A A . 5 ALA CA 1 1 9 1267 1 1 5 ALA CB C 2.552 -1.965 2.589 1.00 . A A . 5 ALA CB 1 1 9 1268 1 1 5 ALA H H 2.518 0.322 1.494 1.00 . A A . 5 ALA H 1 1 9 1269 1 1 5 ALA HA H 1.542 -2.126 0.794 1.00 . A A . 5 ALA HA 1 1 9 1270 1 1 5 ALA HB1 H 2.521 -1.367 3.390 1.00 . A A . 5 ALA HB1 1 1 9 1271 1 1 5 ALA HB2 H 2.392 -2.910 2.873 1.00 . A A . 5 ALA HB2 1 1 9 1272 1 1 5 ALA HB3 H 3.450 -1.895 2.155 1.00 . A A . 5 ALA HB3 1 1 9 1273 1 1 5 ALA N N 1.701 -0.159 1.177 1.00 . A A . 5 ALA N 1 1 9 1274 1 1 5 ALA O O -0.494 -2.787 2.154 1.00 . A A . 5 ALA O 1 1 9 1275 1 1 6 VAL C C -2.790 -1.217 2.468 1.00 . A A . 6 VAL C 1 1 9 1276 1 1 6 VAL CA C -1.743 -0.662 3.425 1.00 . A A . 6 VAL CA 1 1 9 1277 1 1 6 VAL CB C -2.175 0.739 3.889 1.00 . A A . 6 VAL CB 1 1 9 1278 1 1 6 VAL CG1 C -1.223 1.271 4.949 1.00 . A A . 6 VAL CG1 1 1 9 1279 1 1 6 VAL CG2 C -2.253 1.692 2.704 1.00 . A A . 6 VAL CG2 1 1 9 1280 1 1 6 VAL H H 0.104 0.217 2.817 1.00 . A A . 6 VAL H 1 1 9 1281 1 1 6 VAL HA H -1.694 -1.277 4.212 1.00 . A A . 6 VAL HA 1 1 9 1282 1 1 6 VAL HB H -3.078 0.654 4.310 1.00 . A A . 6 VAL HB 1 1 9 1283 1 1 6 VAL HG11 H -0.298 1.332 4.574 1.00 . A A . 6 VAL HG11 1 1 9 1284 1 1 6 VAL HG12 H -1.530 2.181 5.229 1.00 . A A . 6 VAL HG12 1 1 9 1285 1 1 6 VAL HG13 H -1.222 0.661 5.741 1.00 . A A . 6 VAL HG13 1 1 9 1286 1 1 6 VAL HG21 H -2.921 1.352 2.042 1.00 . A A . 6 VAL HG21 1 1 9 1287 1 1 6 VAL HG22 H -2.535 2.595 3.029 1.00 . A A . 6 VAL HG22 1 1 9 1288 1 1 6 VAL HG23 H -1.356 1.760 2.267 1.00 . A A . 6 VAL HG23 1 1 9 1289 1 1 6 VAL N N -0.424 -0.632 2.801 1.00 . A A . 6 VAL N 1 1 9 1290 1 1 6 VAL O O -3.773 -1.826 2.891 1.00 . A A . 6 VAL O 1 1 9 1291 1 1 7 GLY C C -2.861 -2.431 -0.818 1.00 . A A . 7 GLY C 1 1 9 1292 1 1 7 GLY CA C -3.510 -1.488 0.175 1.00 . A A . 7 GLY CA 1 1 9 1293 1 1 7 GLY H H -1.759 -0.502 0.884 1.00 . A A . 7 GLY H 1 1 9 1294 1 1 7 GLY HA2 H -4.252 -1.972 0.639 1.00 . A A . 7 GLY HA2 1 1 9 1295 1 1 7 GLY HA3 H -3.883 -0.705 -0.323 1.00 . A A . 7 GLY HA3 1 1 9 1296 1 1 7 GLY N N -2.575 -1.003 1.173 1.00 . A A . 7 GLY N 1 1 9 1297 1 1 7 GLY O O -3.510 -3.337 -1.340 1.00 . A A . 7 GLY O 1 1 9 1298 1 1 8 HIS C C -0.462 -4.387 -1.380 1.00 . A A . 8 HIS C 1 1 9 1299 1 1 8 HIS CA C -0.838 -3.055 -2.021 1.00 . A A . 8 HIS CA 1 1 9 1300 1 1 8 HIS CB C 0.419 -2.332 -2.500 1.00 . A A . 8 HIS CB 1 1 9 1301 1 1 8 HIS CD2 C -0.569 -1.557 -4.774 1.00 . A A . 8 HIS CD2 1 1 9 1302 1 1 8 HIS CE1 C 1.215 -1.883 -6.002 1.00 . A A . 8 HIS CE1 1 1 9 1303 1 1 8 HIS CG C 0.426 -2.037 -3.976 1.00 . A A . 8 HIS CG 1 1 9 1304 1 1 8 HIS H H -1.103 -1.463 -0.626 1.00 . A A . 8 HIS H 1 1 9 1305 1 1 8 HIS HA H -1.433 -3.244 -2.802 1.00 . A A . 8 HIS HA 1 1 9 1306 1 1 8 HIS HB2 H 0.493 -1.465 -2.007 1.00 . A A . 8 HIS HB2 1 1 9 1307 1 1 8 HIS HB3 H 1.212 -2.904 -2.291 1.00 . A A . 8 HIS HB3 1 1 9 1308 1 1 8 HIS HD2 H -1.497 -1.317 -4.489 1.00 . A A . 8 HIS HD2 1 1 9 1309 1 1 8 HIS HE1 H 1.831 -1.922 -6.789 1.00 . A A . 8 HIS HE1 1 1 9 1310 1 1 8 HIS HE2 H -0.519 -1.149 -6.880 1.00 . A A . 8 HIS HE2 1 1 9 1311 1 1 8 HIS N N -1.576 -2.217 -1.082 1.00 . A A . 8 HIS N 1 1 9 1312 1 1 8 HIS ND1 N 1.544 -2.237 -4.769 1.00 . A A . 8 HIS ND1 1 1 9 1313 1 1 8 HIS NE2 N -0.053 -1.465 -6.054 1.00 . A A . 8 HIS NE2 1 1 9 1314 1 1 8 HIS O O -0.164 -5.360 -2.074 1.00 . A A . 8 HIS O 1 1 9 1315 1 1 9 LEU C C -1.285 -6.064 1.592 1.00 . A A . 9 LEU C 1 1 9 1316 1 1 9 LEU CA C -0.136 -5.638 0.683 1.00 . A A . 9 LEU CA 1 1 9 1317 1 1 9 LEU CB C 1.130 -5.417 1.512 1.00 . A A . 9 LEU CB 1 1 9 1318 1 1 9 LEU CD1 C 3.628 -5.335 1.704 1.00 . A A . 9 LEU CD1 1 1 9 1319 1 1 9 LEU CD2 C 2.544 -7.062 0.257 1.00 . A A . 9 LEU CD2 1 1 9 1320 1 1 9 LEU CG C 2.457 -5.638 0.783 1.00 . A A . 9 LEU CG 1 1 9 1321 1 1 9 LEU H H -0.726 -3.601 0.456 1.00 . A A . 9 LEU H 1 1 9 1322 1 1 9 LEU HA H 0.026 -6.370 0.021 1.00 . A A . 9 LEU HA 1 1 9 1323 1 1 9 LEU HB2 H 1.118 -4.474 1.845 1.00 . A A . 9 LEU HB2 1 1 9 1324 1 1 9 LEU HB3 H 1.101 -6.045 2.290 1.00 . A A . 9 LEU HB3 1 1 9 1325 1 1 9 LEU HD11 H 3.579 -4.383 2.005 1.00 . A A . 9 LEU HD11 1 1 9 1326 1 1 9 LEU HD12 H 3.592 -5.939 2.500 1.00 . A A . 9 LEU HD12 1 1 9 1327 1 1 9 LEU HD13 H 4.485 -5.485 1.211 1.00 . A A . 9 LEU HD13 1 1 9 1328 1 1 9 LEU HD21 H 1.786 -7.223 -0.376 1.00 . A A . 9 LEU HD21 1 1 9 1329 1 1 9 LEU HD22 H 3.412 -7.205 -0.219 1.00 . A A . 9 LEU HD22 1 1 9 1330 1 1 9 LEU HD23 H 2.477 -7.698 1.026 1.00 . A A . 9 LEU HD23 1 1 9 1331 1 1 9 LEU HG H 2.499 -5.033 -0.012 1.00 . A A . 9 LEU HG 1 1 9 1332 1 1 9 LEU N N -0.476 -4.425 -0.052 1.00 . A A . 9 LEU N 1 1 9 1333 1 1 9 LEU O O -1.975 -7.045 1.316 1.00 . A A . 9 LEU O 1 1 9 1334 1 1 10 MET C C -3.807 -4.815 3.298 1.00 . A A . 10 MET C 1 1 9 1335 1 1 10 MET CA C -2.552 -5.619 3.622 1.00 . A A . 10 MET CA 1 1 9 1336 1 1 10 MET CB C -2.093 -5.318 5.051 1.00 . A A . 10 MET CB 1 1 9 1337 1 1 10 MET CE C 0.730 -3.571 5.632 1.00 . A A . 10 MET CE 1 1 9 1338 1 1 10 MET CG C -2.016 -3.833 5.364 1.00 . A A . 10 MET CG 1 1 9 1339 1 1 10 MET H H -0.886 -4.535 2.843 1.00 . A A . 10 MET H 1 1 9 1340 1 1 10 MET HA H -2.778 -6.589 3.531 1.00 . A A . 10 MET HA 1 1 9 1341 1 1 10 MET HB2 H -2.738 -5.742 5.687 1.00 . A A . 10 MET HB2 1 1 9 1342 1 1 10 MET HB3 H -1.185 -5.716 5.183 1.00 . A A . 10 MET HB3 1 1 9 1343 1 1 10 MET HE1 H 0.803 -4.495 5.257 1.00 . A A . 10 MET HE1 1 1 9 1344 1 1 10 MET HE2 H 0.688 -2.909 4.883 1.00 . A A . 10 MET HE2 1 1 9 1345 1 1 10 MET HE3 H 1.528 -3.379 6.203 1.00 . A A . 10 MET HE3 1 1 9 1346 1 1 10 MET HG2 H -1.796 -3.344 4.520 1.00 . A A . 10 MET HG2 1 1 9 1347 1 1 10 MET HG3 H -2.910 -3.535 5.698 1.00 . A A . 10 MET HG3 1 1 9 1348 1 1 10 MET N N -1.483 -5.319 2.674 1.00 . A A . 10 MET N 1 1 9 1349 1 1 10 MET O O -4.876 -5.381 3.070 1.00 . A A . 10 MET O 1 1 9 1350 1 1 10 MET SD S -0.768 -3.450 6.607 1.00 . A A . 10 MET SD 1 1 10 1351 1 1 1 GLY C C -0.786 9.663 3.897 1.00 . A A . 1 GLY C 1 1 10 1352 1 1 1 GLY CA C -0.967 10.977 3.166 1.00 . A A . 1 GLY CA 1 1 10 1353 1 1 1 GLY H1 H -0.765 10.251 1.294 1.00 . A A . 1 GLY H1 1 1 10 1354 1 1 1 GLY H2 H -0.500 11.858 1.411 1.00 . A A . 1 GLY H2 1 1 10 1355 1 1 1 GLY H3 H 0.628 10.804 1.942 1.00 . A A . 1 GLY H3 1 1 10 1356 1 1 1 GLY HA2 H -0.553 11.706 3.710 1.00 . A A . 1 GLY HA2 1 1 10 1357 1 1 1 GLY HA3 H -1.946 11.154 3.062 1.00 . A A . 1 GLY HA3 1 1 10 1358 1 1 1 GLY N N -0.353 10.972 1.851 1.00 . A A . 1 GLY N 1 1 10 1359 1 1 1 GLY O O -0.422 9.642 5.072 1.00 . A A . 1 GLY O 1 1 10 1360 1 1 2 ASN C C 0.181 6.430 3.081 1.00 . A A . 2 ASN C 1 1 10 1361 1 1 2 ASN CA C -0.905 7.233 3.790 1.00 . A A . 2 ASN CA 1 1 10 1362 1 1 2 ASN CB C -2.238 6.483 3.720 1.00 . A A . 2 ASN CB 1 1 10 1363 1 1 2 ASN CG C -3.094 6.712 4.951 1.00 . A A . 2 ASN CG 1 1 10 1364 1 1 2 ASN H H -1.333 8.642 2.246 1.00 . A A . 2 ASN H 1 1 10 1365 1 1 2 ASN HA H -0.598 7.366 4.732 1.00 . A A . 2 ASN HA 1 1 10 1366 1 1 2 ASN HB2 H -2.741 6.797 2.915 1.00 . A A . 2 ASN HB2 1 1 10 1367 1 1 2 ASN HB3 H -2.051 5.504 3.635 1.00 . A A . 2 ASN HB3 1 1 10 1368 1 1 2 ASN HD21 H -3.073 8.712 4.641 1.00 . A A . 2 ASN HD21 1 1 10 1369 1 1 2 ASN HD22 H -3.966 8.186 6.029 1.00 . A A . 2 ASN HD22 1 1 10 1370 1 1 2 ASN N N -1.041 8.560 3.199 1.00 . A A . 2 ASN N 1 1 10 1371 1 1 2 ASN ND2 N -3.403 7.974 5.230 1.00 . A A . 2 ASN ND2 1 1 10 1372 1 1 2 ASN O O 0.810 6.913 2.139 1.00 . A A . 2 ASN O 1 1 10 1373 1 1 2 ASN OD1 O -3.474 5.766 5.642 1.00 . A A . 2 ASN OD1 1 1 10 1374 1 1 3 HIS C C 0.856 3.625 1.709 1.00 . A A . 3 HIS C 1 1 10 1375 1 1 3 HIS CA C 1.403 4.329 2.947 1.00 . A A . 3 HIS CA 1 1 10 1376 1 1 3 HIS CB C 1.876 3.292 3.968 1.00 . A A . 3 HIS CB 1 1 10 1377 1 1 3 HIS CD2 C 4.230 2.290 3.522 1.00 . A A . 3 HIS CD2 1 1 10 1378 1 1 3 HIS CE1 C 5.393 3.725 4.699 1.00 . A A . 3 HIS CE1 1 1 10 1379 1 1 3 HIS CG C 3.373 3.194 4.075 1.00 . A A . 3 HIS CG 1 1 10 1380 1 1 3 HIS H H -0.151 4.864 4.306 1.00 . A A . 3 HIS H 1 1 10 1381 1 1 3 HIS HA H 2.176 4.897 2.664 1.00 . A A . 3 HIS HA 1 1 10 1382 1 1 3 HIS HB2 H 1.512 3.540 4.865 1.00 . A A . 3 HIS HB2 1 1 10 1383 1 1 3 HIS HB3 H 1.520 2.397 3.700 1.00 . A A . 3 HIS HB3 1 1 10 1384 1 1 3 HIS HD2 H 3.984 1.519 2.934 1.00 . A A . 3 HIS HD2 1 1 10 1385 1 1 3 HIS HE1 H 6.163 4.195 5.131 1.00 . A A . 3 HIS HE1 1 1 10 1386 1 1 3 HIS HE2 H 6.369 2.187 3.702 1.00 . A A . 3 HIS HE2 1 1 10 1387 1 1 3 HIS N N 0.394 5.200 3.538 1.00 . A A . 3 HIS N 1 1 10 1388 1 1 3 HIS ND1 N 4.125 4.092 4.814 1.00 . A A . 3 HIS ND1 1 1 10 1389 1 1 3 HIS NE2 N 5.507 2.641 3.928 1.00 . A A . 3 HIS NE2 1 1 10 1390 1 1 3 HIS O O -0.228 3.954 1.225 1.00 . A A . 3 HIS O 1 1 10 1391 1 1 4 TRP C C 0.849 0.472 0.380 1.00 . A A . 4 TRP C 1 1 10 1392 1 1 4 TRP CA C 1.201 1.910 0.018 1.00 . A A . 4 TRP CA 1 1 10 1393 1 1 4 TRP CB C 2.313 1.928 -1.032 1.00 . A A . 4 TRP CB 1 1 10 1394 1 1 4 TRP CD1 C 4.568 2.276 0.135 1.00 . A A . 4 TRP CD1 1 1 10 1395 1 1 4 TRP CD2 C 4.199 0.174 -0.547 1.00 . A A . 4 TRP CD2 1 1 10 1396 1 1 4 TRP CE2 C 5.462 0.231 0.074 1.00 . A A . 4 TRP CE2 1 1 10 1397 1 1 4 TRP CE3 C 3.751 -1.048 -1.055 1.00 . A A . 4 TRP CE3 1 1 10 1398 1 1 4 TRP CG C 3.644 1.493 -0.497 1.00 . A A . 4 TRP CG 1 1 10 1399 1 1 4 TRP CH2 C 5.817 -2.073 -0.308 1.00 . A A . 4 TRP CH2 1 1 10 1400 1 1 4 TRP CZ2 C 6.280 -0.890 0.198 1.00 . A A . 4 TRP CZ2 1 1 10 1401 1 1 4 TRP CZ3 C 4.564 -2.158 -0.930 1.00 . A A . 4 TRP CZ3 1 1 10 1402 1 1 4 TRP H H 2.482 2.439 1.640 1.00 . A A . 4 TRP H 1 1 10 1403 1 1 4 TRP HA H 0.370 2.341 -0.335 1.00 . A A . 4 TRP HA 1 1 10 1404 1 1 4 TRP HB2 H 2.057 1.313 -1.778 1.00 . A A . 4 TRP HB2 1 1 10 1405 1 1 4 TRP HB3 H 2.404 2.859 -1.384 1.00 . A A . 4 TRP HB3 1 1 10 1406 1 1 4 TRP HD1 H 4.463 3.253 0.319 1.00 . A A . 4 TRP HD1 1 1 10 1407 1 1 4 TRP HE1 H 6.478 1.861 0.953 1.00 . A A . 4 TRP HE1 1 1 10 1408 1 1 4 TRP HE3 H 2.859 -1.119 -1.501 1.00 . A A . 4 TRP HE3 1 1 10 1409 1 1 4 TRP HH2 H 6.381 -2.895 -0.234 1.00 . A A . 4 TRP HH2 1 1 10 1410 1 1 4 TRP HZ2 H 7.174 -0.827 0.642 1.00 . A A . 4 TRP HZ2 1 1 10 1411 1 1 4 TRP HZ3 H 4.252 -3.037 -1.290 1.00 . A A . 4 TRP HZ3 1 1 10 1412 1 1 4 TRP N N 1.611 2.659 1.201 1.00 . A A . 4 TRP N 1 1 10 1413 1 1 4 TRP NE1 N 5.664 1.523 0.481 1.00 . A A . 4 TRP NE1 1 1 10 1414 1 1 4 TRP O O -0.176 -0.054 -0.055 1.00 . A A . 4 TRP O 1 1 10 1415 1 1 5 ALA C C 0.095 -1.705 2.213 1.00 . A A . 5 ALA C 1 1 10 1416 1 1 5 ALA CA C 1.480 -1.537 1.600 1.00 . A A . 5 ALA CA 1 1 10 1417 1 1 5 ALA CB C 2.553 -1.967 2.589 1.00 . A A . 5 ALA CB 1 1 10 1418 1 1 5 ALA H H 2.520 0.322 1.497 1.00 . A A . 5 ALA H 1 1 10 1419 1 1 5 ALA HA H 1.542 -2.127 0.795 1.00 . A A . 5 ALA HA 1 1 10 1420 1 1 5 ALA HB1 H 2.524 -1.369 3.390 1.00 . A A . 5 ALA HB1 1 1 10 1421 1 1 5 ALA HB2 H 2.392 -2.912 2.873 1.00 . A A . 5 ALA HB2 1 1 10 1422 1 1 5 ALA HB3 H 3.451 -1.898 2.154 1.00 . A A . 5 ALA HB3 1 1 10 1423 1 1 5 ALA N N 1.704 -0.159 1.178 1.00 . A A . 5 ALA N 1 1 10 1424 1 1 5 ALA O O -0.494 -2.786 2.156 1.00 . A A . 5 ALA O 1 1 10 1425 1 1 6 VAL C C -2.789 -1.215 2.468 1.00 . A A . 6 VAL C 1 1 10 1426 1 1 6 VAL CA C -1.741 -0.659 3.425 1.00 . A A . 6 VAL CA 1 1 10 1427 1 1 6 VAL CB C -2.173 0.744 3.887 1.00 . A A . 6 VAL CB 1 1 10 1428 1 1 6 VAL CG1 C -1.220 1.276 4.947 1.00 . A A . 6 VAL CG1 1 1 10 1429 1 1 6 VAL CG2 C -2.249 1.694 2.701 1.00 . A A . 6 VAL CG2 1 1 10 1430 1 1 6 VAL H H 0.106 0.219 2.816 1.00 . A A . 6 VAL H 1 1 10 1431 1 1 6 VAL HA H -1.692 -1.273 4.212 1.00 . A A . 6 VAL HA 1 1 10 1432 1 1 6 VAL HB H -3.076 0.660 4.308 1.00 . A A . 6 VAL HB 1 1 10 1433 1 1 6 VAL HG11 H -0.295 1.336 4.573 1.00 . A A . 6 VAL HG11 1 1 10 1434 1 1 6 VAL HG12 H -1.527 2.186 5.226 1.00 . A A . 6 VAL HG12 1 1 10 1435 1 1 6 VAL HG13 H -1.220 0.667 5.740 1.00 . A A . 6 VAL HG13 1 1 10 1436 1 1 6 VAL HG21 H -2.917 1.353 2.039 1.00 . A A . 6 VAL HG21 1 1 10 1437 1 1 6 VAL HG22 H -2.531 2.597 3.024 1.00 . A A . 6 VAL HG22 1 1 10 1438 1 1 6 VAL HG23 H -1.352 1.761 2.265 1.00 . A A . 6 VAL HG23 1 1 10 1439 1 1 6 VAL N N -0.422 -0.630 2.801 1.00 . A A . 6 VAL N 1 1 10 1440 1 1 6 VAL O O -3.771 -1.823 2.892 1.00 . A A . 6 VAL O 1 1 10 1441 1 1 7 GLY C C -2.861 -2.431 -0.816 1.00 . A A . 7 GLY C 1 1 10 1442 1 1 7 GLY CA C -3.510 -1.487 0.176 1.00 . A A . 7 GLY CA 1 1 10 1443 1 1 7 GLY H H -1.760 -0.499 0.884 1.00 . A A . 7 GLY H 1 1 10 1444 1 1 7 GLY HA2 H -4.252 -1.970 0.640 1.00 . A A . 7 GLY HA2 1 1 10 1445 1 1 7 GLY HA3 H -3.883 -0.704 -0.322 1.00 . A A . 7 GLY HA3 1 1 10 1446 1 1 7 GLY N N -2.575 -1.001 1.174 1.00 . A A . 7 GLY N 1 1 10 1447 1 1 7 GLY O O -3.510 -3.342 -1.332 1.00 . A A . 7 GLY O 1 1 10 1448 1 1 8 HIS C C -0.466 -4.387 -1.380 1.00 . A A . 8 HIS C 1 1 10 1449 1 1 8 HIS CA C -0.841 -3.054 -2.022 1.00 . A A . 8 HIS CA 1 1 10 1450 1 1 8 HIS CB C 0.417 -2.333 -2.504 1.00 . A A . 8 HIS CB 1 1 10 1451 1 1 8 HIS CD2 C -0.592 -1.595 -4.780 1.00 . A A . 8 HIS CD2 1 1 10 1452 1 1 8 HIS CE1 C 1.213 -1.828 -5.997 1.00 . A A . 8 HIS CE1 1 1 10 1453 1 1 8 HIS CG C 0.419 -2.031 -3.977 1.00 . A A . 8 HIS CG 1 1 10 1454 1 1 8 HIS H H -1.105 -1.458 -0.633 1.00 . A A . 8 HIS H 1 1 10 1455 1 1 8 HIS HA H -1.436 -3.243 -2.803 1.00 . A A . 8 HIS HA 1 1 10 1456 1 1 8 HIS HB2 H 0.497 -1.469 -2.007 1.00 . A A . 8 HIS HB2 1 1 10 1457 1 1 8 HIS HB3 H 1.209 -2.909 -2.301 1.00 . A A . 8 HIS HB3 1 1 10 1458 1 1 8 HIS HD2 H -1.532 -1.401 -4.500 1.00 . A A . 8 HIS HD2 1 1 10 1459 1 1 8 HIS HE1 H 1.835 -1.834 -6.780 1.00 . A A . 8 HIS HE1 1 1 10 1460 1 1 8 HIS HE2 H -0.549 -1.173 -6.884 1.00 . A A . 8 HIS HE2 1 1 10 1461 1 1 8 HIS N N -1.577 -2.215 -1.085 1.00 . A A . 8 HIS N 1 1 10 1462 1 1 8 HIS ND1 N 1.550 -2.172 -4.763 1.00 . A A . 8 HIS ND1 1 1 10 1463 1 1 8 HIS NE2 N -0.073 -1.471 -6.056 1.00 . A A . 8 HIS NE2 1 1 10 1464 1 1 8 HIS O O -0.176 -5.362 -2.074 1.00 . A A . 8 HIS O 1 1 10 1465 1 1 9 LEU C C -1.281 -6.059 1.592 1.00 . A A . 9 LEU C 1 1 10 1466 1 1 9 LEU CA C -0.132 -5.633 0.684 1.00 . A A . 9 LEU CA 1 1 10 1467 1 1 9 LEU CB C 1.134 -5.411 1.513 1.00 . A A . 9 LEU CB 1 1 10 1468 1 1 9 LEU CD1 C 3.631 -5.331 1.706 1.00 . A A . 9 LEU CD1 1 1 10 1469 1 1 9 LEU CD2 C 2.547 -7.063 0.264 1.00 . A A . 9 LEU CD2 1 1 10 1470 1 1 9 LEU CG C 2.460 -5.637 0.786 1.00 . A A . 9 LEU CG 1 1 10 1471 1 1 9 LEU H H -0.718 -3.595 0.454 1.00 . A A . 9 LEU H 1 1 10 1472 1 1 9 LEU HA H 0.032 -6.365 0.023 1.00 . A A . 9 LEU HA 1 1 10 1473 1 1 9 LEU HB2 H 1.123 -4.467 1.842 1.00 . A A . 9 LEU HB2 1 1 10 1474 1 1 9 LEU HB3 H 1.103 -6.036 2.293 1.00 . A A . 9 LEU HB3 1 1 10 1475 1 1 9 LEU HD11 H 3.583 -4.377 2.002 1.00 . A A . 9 LEU HD11 1 1 10 1476 1 1 9 LEU HD12 H 3.594 -5.931 2.505 1.00 . A A . 9 LEU HD12 1 1 10 1477 1 1 9 LEU HD13 H 4.488 -5.484 1.214 1.00 . A A . 9 LEU HD13 1 1 10 1478 1 1 9 LEU HD21 H 1.790 -7.225 -0.369 1.00 . A A . 9 LEU HD21 1 1 10 1479 1 1 9 LEU HD22 H 3.415 -7.209 -0.211 1.00 . A A . 9 LEU HD22 1 1 10 1480 1 1 9 LEU HD23 H 2.479 -7.696 1.035 1.00 . A A . 9 LEU HD23 1 1 10 1481 1 1 9 LEU HG H 2.503 -5.036 -0.012 1.00 . A A . 9 LEU HG 1 1 10 1482 1 1 9 LEU N N -0.473 -4.421 -0.053 1.00 . A A . 9 LEU N 1 1 10 1483 1 1 9 LEU O O -1.954 -7.056 1.334 1.00 . A A . 9 LEU O 1 1 10 1484 1 1 10 MET C C -3.811 -4.756 3.299 1.00 . A A . 10 MET C 1 1 10 1485 1 1 10 MET CA C -2.572 -5.591 3.603 1.00 . A A . 10 MET CA 1 1 10 1486 1 1 10 MET CB C -2.103 -5.329 5.035 1.00 . A A . 10 MET CB 1 1 10 1487 1 1 10 MET CE C 0.840 -3.744 5.975 1.00 . A A . 10 MET CE 1 1 10 1488 1 1 10 MET CG C -1.854 -3.859 5.334 1.00 . A A . 10 MET CG 1 1 10 1489 1 1 10 MET H H -0.918 -4.498 2.814 1.00 . A A . 10 MET H 1 1 10 1490 1 1 10 MET HA H -2.818 -6.554 3.495 1.00 . A A . 10 MET HA 1 1 10 1491 1 1 10 MET HB2 H -2.804 -5.665 5.665 1.00 . A A . 10 MET HB2 1 1 10 1492 1 1 10 MET HB3 H -1.251 -5.831 5.186 1.00 . A A . 10 MET HB3 1 1 10 1493 1 1 10 MET HE1 H 0.927 -4.646 5.552 1.00 . A A . 10 MET HE1 1 1 10 1494 1 1 10 MET HE2 H 0.924 -3.037 5.273 1.00 . A A . 10 MET HE2 1 1 10 1495 1 1 10 MET HE3 H 1.562 -3.625 6.657 1.00 . A A . 10 MET HE3 1 1 10 1496 1 1 10 MET HG2 H -1.436 -3.441 4.528 1.00 . A A . 10 MET HG2 1 1 10 1497 1 1 10 MET HG3 H -2.735 -3.422 5.518 1.00 . A A . 10 MET HG3 1 1 10 1498 1 1 10 MET N N -1.501 -5.295 2.657 1.00 . A A . 10 MET N 1 1 10 1499 1 1 10 MET O O -4.899 -5.295 3.089 1.00 . A A . 10 MET O 1 1 10 1500 1 1 10 MET SD S -0.769 -3.612 6.752 1.00 . A A . 10 MET SD 1 1 11 1501 1 1 1 GLY C C -0.508 9.636 3.698 1.00 . A A . 1 GLY C 1 1 11 1502 1 1 1 GLY CA C -0.742 10.942 2.966 1.00 . A A . 1 GLY CA 1 1 11 1503 1 1 1 GLY H1 H -2.287 11.583 4.095 1.00 . A A . 1 GLY H1 1 1 11 1504 1 1 1 GLY H2 H -2.204 12.291 2.626 1.00 . A A . 1 GLY H2 1 1 11 1505 1 1 1 GLY H3 H -2.741 10.755 2.763 1.00 . A A . 1 GLY H3 1 1 11 1506 1 1 1 GLY HA2 H -0.564 10.801 1.992 1.00 . A A . 1 GLY HA2 1 1 11 1507 1 1 1 GLY HA3 H -0.109 11.629 3.324 1.00 . A A . 1 GLY HA3 1 1 11 1508 1 1 1 GLY N N -2.099 11.431 3.125 1.00 . A A . 1 GLY N 1 1 11 1509 1 1 1 GLY O O 0.157 9.607 4.733 1.00 . A A . 1 GLY O 1 1 11 1510 1 1 2 ASN C C 0.173 6.427 3.062 1.00 . A A . 2 ASN C 1 1 11 1511 1 1 2 ASN CA C -0.908 7.235 3.773 1.00 . A A . 2 ASN CA 1 1 11 1512 1 1 2 ASN CB C -2.236 6.477 3.735 1.00 . A A . 2 ASN CB 1 1 11 1513 1 1 2 ASN CG C -3.075 6.720 4.974 1.00 . A A . 2 ASN CG 1 1 11 1514 1 1 2 ASN H H -1.590 8.641 2.319 1.00 . A A . 2 ASN H 1 1 11 1515 1 1 2 ASN HA H -0.589 7.385 4.709 1.00 . A A . 2 ASN HA 1 1 11 1516 1 1 2 ASN HB2 H -2.753 6.775 2.933 1.00 . A A . 2 ASN HB2 1 1 11 1517 1 1 2 ASN HB3 H -2.045 5.498 3.663 1.00 . A A . 2 ASN HB3 1 1 11 1518 1 1 2 ASN HD21 H -3.723 8.489 4.238 1.00 . A A . 2 ASN HD21 1 1 11 1519 1 1 2 ASN HD22 H -4.343 8.062 5.798 1.00 . A A . 2 ASN HD22 1 1 11 1520 1 1 2 ASN N N -1.059 8.552 3.162 1.00 . A A . 2 ASN N 1 1 11 1521 1 1 2 ASN ND2 N -3.771 7.850 5.006 1.00 . A A . 2 ASN ND2 1 1 11 1522 1 1 2 ASN O O 0.787 6.897 2.104 1.00 . A A . 2 ASN O 1 1 11 1523 1 1 2 ASN OD1 O -3.098 5.899 5.892 1.00 . A A . 2 ASN OD1 1 1 11 1524 1 1 3 HIS C C 0.857 3.629 1.709 1.00 . A A . 3 HIS C 1 1 11 1525 1 1 3 HIS CA C 1.407 4.330 2.947 1.00 . A A . 3 HIS CA 1 1 11 1526 1 1 3 HIS CB C 1.876 3.293 3.968 1.00 . A A . 3 HIS CB 1 1 11 1527 1 1 3 HIS CD2 C 4.247 2.329 3.531 1.00 . A A . 3 HIS CD2 1 1 11 1528 1 1 3 HIS CE1 C 5.377 3.744 4.763 1.00 . A A . 3 HIS CE1 1 1 11 1529 1 1 3 HIS CG C 3.372 3.209 4.095 1.00 . A A . 3 HIS CG 1 1 11 1530 1 1 3 HIS H H -0.133 4.880 4.318 1.00 . A A . 3 HIS H 1 1 11 1531 1 1 3 HIS HA H 2.183 4.894 2.665 1.00 . A A . 3 HIS HA 1 1 11 1532 1 1 3 HIS HB2 H 1.497 3.533 4.862 1.00 . A A . 3 HIS HB2 1 1 11 1533 1 1 3 HIS HB3 H 1.533 2.396 3.690 1.00 . A A . 3 HIS HB3 1 1 11 1534 1 1 3 HIS HD2 H 4.018 1.572 2.919 1.00 . A A . 3 HIS HD2 1 1 11 1535 1 1 3 HIS HE1 H 6.135 4.211 5.218 1.00 . A A . 3 HIS HE1 1 1 11 1536 1 1 3 HIS HE2 H 6.383 2.241 3.740 1.00 . A A . 3 HIS HE2 1 1 11 1537 1 1 3 HIS N N 0.400 5.206 3.537 1.00 . A A . 3 HIS N 1 1 11 1538 1 1 3 HIS ND1 N 4.104 4.094 4.869 1.00 . A A . 3 HIS ND1 1 1 11 1539 1 1 3 HIS NE2 N 5.514 2.681 3.965 1.00 . A A . 3 HIS NE2 1 1 11 1540 1 1 3 HIS O O -0.227 3.960 1.226 1.00 . A A . 3 HIS O 1 1 11 1541 1 1 4 TRP C C 0.845 0.473 0.381 1.00 . A A . 4 TRP C 1 1 11 1542 1 1 4 TRP CA C 1.197 1.911 0.019 1.00 . A A . 4 TRP CA 1 1 11 1543 1 1 4 TRP CB C 2.306 1.929 -1.034 1.00 . A A . 4 TRP CB 1 1 11 1544 1 1 4 TRP CD1 C 4.561 2.275 0.133 1.00 . A A . 4 TRP CD1 1 1 11 1545 1 1 4 TRP CD2 C 4.195 0.177 -0.558 1.00 . A A . 4 TRP CD2 1 1 11 1546 1 1 4 TRP CE2 C 5.459 0.231 0.061 1.00 . A A . 4 TRP CE2 1 1 11 1547 1 1 4 TRP CE3 C 3.749 -1.045 -1.072 1.00 . A A . 4 TRP CE3 1 1 11 1548 1 1 4 TRP CG C 3.637 1.494 -0.502 1.00 . A A . 4 TRP CG 1 1 11 1549 1 1 4 TRP CH2 C 5.816 -2.070 -0.333 1.00 . A A . 4 TRP CH2 1 1 11 1550 1 1 4 TRP CZ2 C 6.279 -0.888 0.179 1.00 . A A . 4 TRP CZ2 1 1 11 1551 1 1 4 TRP CZ3 C 4.564 -2.154 -0.954 1.00 . A A . 4 TRP CZ3 1 1 11 1552 1 1 4 TRP H H 2.479 2.436 1.642 1.00 . A A . 4 TRP H 1 1 11 1553 1 1 4 TRP HA H 0.366 2.342 -0.333 1.00 . A A . 4 TRP HA 1 1 11 1554 1 1 4 TRP HB2 H 2.048 1.314 -1.780 1.00 . A A . 4 TRP HB2 1 1 11 1555 1 1 4 TRP HB3 H 2.397 2.860 -1.386 1.00 . A A . 4 TRP HB3 1 1 11 1556 1 1 4 TRP HD1 H 4.455 3.251 0.322 1.00 . A A . 4 TRP HD1 1 1 11 1557 1 1 4 TRP HE1 H 6.473 1.859 0.947 1.00 . A A . 4 TRP HE1 1 1 11 1558 1 1 4 TRP HE3 H 2.856 -1.116 -1.517 1.00 . A A . 4 TRP HE3 1 1 11 1559 1 1 4 TRP HH2 H 6.382 -2.892 -0.263 1.00 . A A . 4 TRP HH2 1 1 11 1560 1 1 4 TRP HZ2 H 7.173 -0.826 0.622 1.00 . A A . 4 TRP HZ2 1 1 11 1561 1 1 4 TRP HZ3 H 4.254 -3.032 -1.319 1.00 . A A . 4 TRP HZ3 1 1 11 1562 1 1 4 TRP N N 1.609 2.659 1.202 1.00 . A A . 4 TRP N 1 1 11 1563 1 1 4 TRP NE1 N 5.659 1.522 0.474 1.00 . A A . 4 TRP NE1 1 1 11 1564 1 1 4 TRP O O -0.179 -0.054 -0.053 1.00 . A A . 4 TRP O 1 1 11 1565 1 1 5 ALA C C 0.093 -1.707 2.213 1.00 . A A . 5 ALA C 1 1 11 1566 1 1 5 ALA CA C 1.479 -1.537 1.599 1.00 . A A . 5 ALA CA 1 1 11 1567 1 1 5 ALA CB C 2.553 -1.966 2.589 1.00 . A A . 5 ALA CB 1 1 11 1568 1 1 5 ALA H H 2.517 0.323 1.497 1.00 . A A . 5 ALA H 1 1 11 1569 1 1 5 ALA HA H 1.541 -2.127 0.794 1.00 . A A . 5 ALA HA 1 1 11 1570 1 1 5 ALA HB1 H 2.522 -1.368 3.390 1.00 . A A . 5 ALA HB1 1 1 11 1571 1 1 5 ALA HB2 H 2.393 -2.912 2.872 1.00 . A A . 5 ALA HB2 1 1 11 1572 1 1 5 ALA HB3 H 3.451 -1.895 2.154 1.00 . A A . 5 ALA HB3 1 1 11 1573 1 1 5 ALA N N 1.701 -0.159 1.178 1.00 . A A . 5 ALA N 1 1 11 1574 1 1 5 ALA O O -0.495 -2.787 2.154 1.00 . A A . 5 ALA O 1 1 11 1575 1 1 6 VAL C C -2.790 -1.217 2.468 1.00 . A A . 6 VAL C 1 1 11 1576 1 1 6 VAL CA C -1.743 -0.662 3.426 1.00 . A A . 6 VAL CA 1 1 11 1577 1 1 6 VAL CB C -2.174 0.740 3.889 1.00 . A A . 6 VAL CB 1 1 11 1578 1 1 6 VAL CG1 C -1.222 1.272 4.948 1.00 . A A . 6 VAL CG1 1 1 11 1579 1 1 6 VAL CG2 C -2.253 1.691 2.704 1.00 . A A . 6 VAL CG2 1 1 11 1580 1 1 6 VAL H H 0.105 0.216 2.816 1.00 . A A . 6 VAL H 1 1 11 1581 1 1 6 VAL HA H -1.694 -1.277 4.213 1.00 . A A . 6 VAL HA 1 1 11 1582 1 1 6 VAL HB H -3.077 0.656 4.310 1.00 . A A . 6 VAL HB 1 1 11 1583 1 1 6 VAL HG11 H -0.297 1.332 4.573 1.00 . A A . 6 VAL HG11 1 1 11 1584 1 1 6 VAL HG12 H -1.529 2.182 5.227 1.00 . A A . 6 VAL HG12 1 1 11 1585 1 1 6 VAL HG13 H -1.221 0.663 5.741 1.00 . A A . 6 VAL HG13 1 1 11 1586 1 1 6 VAL HG21 H -2.922 1.351 2.043 1.00 . A A . 6 VAL HG21 1 1 11 1587 1 1 6 VAL HG22 H -2.534 2.594 3.028 1.00 . A A . 6 VAL HG22 1 1 11 1588 1 1 6 VAL HG23 H -1.357 1.758 2.266 1.00 . A A . 6 VAL HG23 1 1 11 1589 1 1 6 VAL N N -0.423 -0.633 2.801 1.00 . A A . 6 VAL N 1 1 11 1590 1 1 6 VAL O O -3.773 -1.825 2.892 1.00 . A A . 6 VAL O 1 1 11 1591 1 1 7 GLY C C -2.861 -2.431 -0.818 1.00 . A A . 7 GLY C 1 1 11 1592 1 1 7 GLY CA C -3.510 -1.488 0.176 1.00 . A A . 7 GLY CA 1 1 11 1593 1 1 7 GLY H H -1.759 -0.502 0.885 1.00 . A A . 7 GLY H 1 1 11 1594 1 1 7 GLY HA2 H -4.252 -1.972 0.640 1.00 . A A . 7 GLY HA2 1 1 11 1595 1 1 7 GLY HA3 H -3.883 -0.705 -0.321 1.00 . A A . 7 GLY HA3 1 1 11 1596 1 1 7 GLY N N -2.575 -1.003 1.174 1.00 . A A . 7 GLY N 1 1 11 1597 1 1 7 GLY O O -3.510 -3.339 -1.338 1.00 . A A . 7 GLY O 1 1 11 1598 1 1 8 HIS C C -0.463 -4.387 -1.381 1.00 . A A . 8 HIS C 1 1 11 1599 1 1 8 HIS CA C -0.839 -3.054 -2.022 1.00 . A A . 8 HIS CA 1 1 11 1600 1 1 8 HIS CB C 0.420 -2.332 -2.502 1.00 . A A . 8 HIS CB 1 1 11 1601 1 1 8 HIS CD2 C -0.577 -1.549 -4.768 1.00 . A A . 8 HIS CD2 1 1 11 1602 1 1 8 HIS CE1 C 1.206 -1.854 -6.001 1.00 . A A . 8 HIS CE1 1 1 11 1603 1 1 8 HIS CG C 0.422 -2.028 -3.974 1.00 . A A . 8 HIS CG 1 1 11 1604 1 1 8 HIS H H -1.103 -1.463 -0.627 1.00 . A A . 8 HIS H 1 1 11 1605 1 1 8 HIS HA H -1.434 -3.243 -2.803 1.00 . A A . 8 HIS HA 1 1 11 1606 1 1 8 HIS HB2 H 0.500 -1.469 -2.003 1.00 . A A . 8 HIS HB2 1 1 11 1607 1 1 8 HIS HB3 H 1.212 -2.908 -2.300 1.00 . A A . 8 HIS HB3 1 1 11 1608 1 1 8 HIS HD2 H -1.506 -1.316 -4.480 1.00 . A A . 8 HIS HD2 1 1 11 1609 1 1 8 HIS HE1 H 1.821 -1.884 -6.789 1.00 . A A . 8 HIS HE1 1 1 11 1610 1 1 8 HIS HE2 H -0.531 -1.127 -6.873 1.00 . A A . 8 HIS HE2 1 1 11 1611 1 1 8 HIS N N -1.576 -2.217 -1.083 1.00 . A A . 8 HIS N 1 1 11 1612 1 1 8 HIS ND1 N 1.540 -2.215 -4.770 1.00 . A A . 8 HIS ND1 1 1 11 1613 1 1 8 HIS NE2 N -0.063 -1.445 -6.049 1.00 . A A . 8 HIS NE2 1 1 11 1614 1 1 8 HIS O O -0.171 -5.361 -2.076 1.00 . A A . 8 HIS O 1 1 11 1615 1 1 9 LEU C C -1.283 -6.064 1.588 1.00 . A A . 9 LEU C 1 1 11 1616 1 1 9 LEU CA C -0.134 -5.637 0.681 1.00 . A A . 9 LEU CA 1 1 11 1617 1 1 9 LEU CB C 1.131 -5.416 1.513 1.00 . A A . 9 LEU CB 1 1 11 1618 1 1 9 LEU CD1 C 3.629 -5.335 1.710 1.00 . A A . 9 LEU CD1 1 1 11 1619 1 1 9 LEU CD2 C 2.547 -7.064 0.263 1.00 . A A . 9 LEU CD2 1 1 11 1620 1 1 9 LEU CG C 2.459 -5.639 0.787 1.00 . A A . 9 LEU CG 1 1 11 1621 1 1 9 LEU H H -0.722 -3.599 0.456 1.00 . A A . 9 LEU H 1 1 11 1622 1 1 9 LEU HA H 0.029 -6.368 0.019 1.00 . A A . 9 LEU HA 1 1 11 1623 1 1 9 LEU HB2 H 1.119 -4.473 1.845 1.00 . A A . 9 LEU HB2 1 1 11 1624 1 1 9 LEU HB3 H 1.100 -6.043 2.291 1.00 . A A . 9 LEU HB3 1 1 11 1625 1 1 9 LEU HD11 H 3.580 -4.382 2.009 1.00 . A A . 9 LEU HD11 1 1 11 1626 1 1 9 LEU HD12 H 3.591 -5.937 2.507 1.00 . A A . 9 LEU HD12 1 1 11 1627 1 1 9 LEU HD13 H 4.487 -5.486 1.219 1.00 . A A . 9 LEU HD13 1 1 11 1628 1 1 9 LEU HD21 H 1.790 -7.225 -0.371 1.00 . A A . 9 LEU HD21 1 1 11 1629 1 1 9 LEU HD22 H 3.416 -7.208 -0.211 1.00 . A A . 9 LEU HD22 1 1 11 1630 1 1 9 LEU HD23 H 2.478 -7.699 1.033 1.00 . A A . 9 LEU HD23 1 1 11 1631 1 1 9 LEU HG H 2.502 -5.036 -0.009 1.00 . A A . 9 LEU HG 1 1 11 1632 1 1 9 LEU N N -0.474 -4.424 -0.053 1.00 . A A . 9 LEU N 1 1 11 1633 1 1 9 LEU O O -1.945 -7.071 1.335 1.00 . A A . 9 LEU O 1 1 11 1634 1 1 10 MET C C -3.729 -4.587 3.447 1.00 . A A . 10 MET C 1 1 11 1635 1 1 10 MET CA C -2.589 -5.590 3.587 1.00 . A A . 10 MET CA 1 1 11 1636 1 1 10 MET CB C -2.055 -5.576 5.021 1.00 . A A . 10 MET CB 1 1 11 1637 1 1 10 MET CE C 0.783 -2.649 5.908 1.00 . A A . 10 MET CE 1 1 11 1638 1 1 10 MET CG C -1.424 -4.253 5.422 1.00 . A A . 10 MET CG 1 1 11 1639 1 1 10 MET H H -0.944 -4.487 2.796 1.00 . A A . 10 MET H 1 1 11 1640 1 1 10 MET HA H -2.950 -6.496 3.364 1.00 . A A . 10 MET HA 1 1 11 1641 1 1 10 MET HB2 H -2.814 -5.765 5.644 1.00 . A A . 10 MET HB2 1 1 11 1642 1 1 10 MET HB3 H -1.365 -6.294 5.109 1.00 . A A . 10 MET HB3 1 1 11 1643 1 1 10 MET HE1 H 0.307 -1.929 5.403 1.00 . A A . 10 MET HE1 1 1 11 1644 1 1 10 MET HE2 H 0.495 -2.630 6.865 1.00 . A A . 10 MET HE2 1 1 11 1645 1 1 10 MET HE3 H 1.770 -2.498 5.854 1.00 . A A . 10 MET HE3 1 1 11 1646 1 1 10 MET HG2 H -1.827 -3.530 4.862 1.00 . A A . 10 MET HG2 1 1 11 1647 1 1 10 MET HG3 H -1.633 -4.084 6.385 1.00 . A A . 10 MET HG3 1 1 11 1648 1 1 10 MET N N -1.517 -5.292 2.644 1.00 . A A . 10 MET N 1 1 11 1649 1 1 10 MET O O -4.855 -4.953 3.108 1.00 . A A . 10 MET O 1 1 11 1650 1 1 10 MET SD S 0.364 -4.240 5.199 1.00 . A A . 10 MET SD 1 1 12 1651 1 1 1 GLY C C -0.681 9.645 3.861 1.00 . A A . 1 GLY C 1 1 12 1652 1 1 1 GLY CA C -0.885 10.962 3.137 1.00 . A A . 1 GLY CA 1 1 12 1653 1 1 1 GLY H1 H -2.402 11.641 4.281 1.00 . A A . 1 GLY H1 1 1 12 1654 1 1 1 GLY H2 H -2.310 12.353 2.815 1.00 . A A . 1 GLY H2 1 1 12 1655 1 1 1 GLY H3 H -2.890 10.833 2.949 1.00 . A A . 1 GLY H3 1 1 12 1656 1 1 1 GLY HA2 H -0.718 10.821 2.161 1.00 . A A . 1 GLY HA2 1 1 12 1657 1 1 1 GLY HA3 H -0.231 11.629 3.494 1.00 . A A . 1 GLY HA3 1 1 12 1658 1 1 1 GLY N N -2.226 11.488 3.309 1.00 . A A . 1 GLY N 1 1 12 1659 1 1 1 GLY O O -0.196 9.619 4.991 1.00 . A A . 1 GLY O 1 1 12 1660 1 1 2 ASN C C 0.173 6.423 3.085 1.00 . A A . 2 ASN C 1 1 12 1661 1 1 2 ASN CA C -0.914 7.223 3.799 1.00 . A A . 2 ASN CA 1 1 12 1662 1 1 2 ASN CB C -2.243 6.469 3.734 1.00 . A A . 2 ASN CB 1 1 12 1663 1 1 2 ASN CG C -3.099 6.699 4.964 1.00 . A A . 2 ASN CG 1 1 12 1664 1 1 2 ASN H H -1.443 8.636 2.291 1.00 . A A . 2 ASN H 1 1 12 1665 1 1 2 ASN HA H -0.604 7.356 4.740 1.00 . A A . 2 ASN HA 1 1 12 1666 1 1 2 ASN HB2 H -2.748 6.778 2.928 1.00 . A A . 2 ASN HB2 1 1 12 1667 1 1 2 ASN HB3 H -2.053 5.491 3.653 1.00 . A A . 2 ASN HB3 1 1 12 1668 1 1 2 ASN HD21 H -2.123 5.237 5.964 1.00 . A A . 2 ASN HD21 1 1 12 1669 1 1 2 ASN HD22 H -3.379 6.032 6.853 1.00 . A A . 2 ASN HD22 1 1 12 1670 1 1 2 ASN N N -1.055 8.549 3.209 1.00 . A A . 2 ASN N 1 1 12 1671 1 1 2 ASN ND2 N -2.846 5.926 6.013 1.00 . A A . 2 ASN ND2 1 1 12 1672 1 1 2 ASN O O 0.798 6.909 2.142 1.00 . A A . 2 ASN O 1 1 12 1673 1 1 2 ASN OD1 O -3.977 7.562 4.969 1.00 . A A . 2 ASN OD1 1 1 12 1674 1 1 3 HIS C C 0.853 3.622 1.710 1.00 . A A . 3 HIS C 1 1 12 1675 1 1 3 HIS CA C 1.402 4.327 2.947 1.00 . A A . 3 HIS CA 1 1 12 1676 1 1 3 HIS CB C 1.883 3.291 3.965 1.00 . A A . 3 HIS CB 1 1 12 1677 1 1 3 HIS CD2 C 4.245 2.314 3.507 1.00 . A A . 3 HIS CD2 1 1 12 1678 1 1 3 HIS CE1 C 5.397 3.739 4.704 1.00 . A A . 3 HIS CE1 1 1 12 1679 1 1 3 HIS CG C 3.380 3.203 4.071 1.00 . A A . 3 HIS CG 1 1 12 1680 1 1 3 HIS H H -0.149 4.858 4.313 1.00 . A A . 3 HIS H 1 1 12 1681 1 1 3 HIS HA H 2.172 4.897 2.662 1.00 . A A . 3 HIS HA 1 1 12 1682 1 1 3 HIS HB2 H 1.517 3.535 4.863 1.00 . A A . 3 HIS HB2 1 1 12 1683 1 1 3 HIS HB3 H 1.533 2.394 3.695 1.00 . A A . 3 HIS HB3 1 1 12 1684 1 1 3 HIS HD2 H 4.005 1.550 2.908 1.00 . A A . 3 HIS HD2 1 1 12 1685 1 1 3 HIS HE1 H 6.164 4.208 5.142 1.00 . A A . 3 HIS HE1 1 1 12 1686 1 1 3 HIS HE2 H 6.380 2.219 3.683 1.00 . A A . 3 HIS HE2 1 1 12 1687 1 1 3 HIS N N 0.392 5.195 3.542 1.00 . A A . 3 HIS N 1 1 12 1688 1 1 3 HIS ND1 N 4.126 4.095 4.824 1.00 . A A . 3 HIS ND1 1 1 12 1689 1 1 3 HIS NE2 N 5.517 2.666 3.917 1.00 . A A . 3 HIS NE2 1 1 12 1690 1 1 3 HIS O O -0.234 3.945 1.232 1.00 . A A . 3 HIS O 1 1 12 1691 1 1 4 TRP C C 0.848 0.473 0.379 1.00 . A A . 4 TRP C 1 1 12 1692 1 1 4 TRP CA C 1.201 1.910 0.016 1.00 . A A . 4 TRP CA 1 1 12 1693 1 1 4 TRP CB C 2.311 1.926 -1.035 1.00 . A A . 4 TRP CB 1 1 12 1694 1 1 4 TRP CD1 C 4.564 2.274 0.135 1.00 . A A . 4 TRP CD1 1 1 12 1695 1 1 4 TRP CD2 C 4.200 0.176 -0.555 1.00 . A A . 4 TRP CD2 1 1 12 1696 1 1 4 TRP CE2 C 5.463 0.231 0.066 1.00 . A A . 4 TRP CE2 1 1 12 1697 1 1 4 TRP CE3 C 3.755 -1.046 -1.069 1.00 . A A . 4 TRP CE3 1 1 12 1698 1 1 4 TRP CG C 3.642 1.492 -0.500 1.00 . A A . 4 TRP CG 1 1 12 1699 1 1 4 TRP CH2 C 5.824 -2.070 -0.325 1.00 . A A . 4 TRP CH2 1 1 12 1700 1 1 4 TRP CZ2 C 6.284 -0.887 0.186 1.00 . A A . 4 TRP CZ2 1 1 12 1701 1 1 4 TRP CZ3 C 4.571 -2.155 -0.949 1.00 . A A . 4 TRP CZ3 1 1 12 1702 1 1 4 TRP H H 2.486 2.445 1.633 1.00 . A A . 4 TRP H 1 1 12 1703 1 1 4 TRP HA H 0.371 2.341 -0.337 1.00 . A A . 4 TRP HA 1 1 12 1704 1 1 4 TRP HB2 H 2.055 1.310 -1.780 1.00 . A A . 4 TRP HB2 1 1 12 1705 1 1 4 TRP HB3 H 2.402 2.857 -1.389 1.00 . A A . 4 TRP HB3 1 1 12 1706 1 1 4 TRP HD1 H 4.457 3.250 0.323 1.00 . A A . 4 TRP HD1 1 1 12 1707 1 1 4 TRP HE1 H 6.475 1.860 0.951 1.00 . A A . 4 TRP HE1 1 1 12 1708 1 1 4 TRP HE3 H 2.863 -1.117 -1.515 1.00 . A A . 4 TRP HE3 1 1 12 1709 1 1 4 TRP HH2 H 6.390 -2.891 -0.254 1.00 . A A . 4 TRP HH2 1 1 12 1710 1 1 4 TRP HZ2 H 7.177 -0.823 0.631 1.00 . A A . 4 TRP HZ2 1 1 12 1711 1 1 4 TRP HZ3 H 4.262 -3.033 -1.314 1.00 . A A . 4 TRP HZ3 1 1 12 1712 1 1 4 TRP N N 1.612 2.660 1.198 1.00 . A A . 4 TRP N 1 1 12 1713 1 1 4 TRP NE1 N 5.662 1.522 0.478 1.00 . A A . 4 TRP NE1 1 1 12 1714 1 1 4 TRP O O -0.176 -0.054 -0.054 1.00 . A A . 4 TRP O 1 1 12 1715 1 1 5 ALA C C 0.094 -1.703 2.214 1.00 . A A . 5 ALA C 1 1 12 1716 1 1 5 ALA CA C 1.480 -1.535 1.600 1.00 . A A . 5 ALA CA 1 1 12 1717 1 1 5 ALA CB C 2.554 -1.964 2.590 1.00 . A A . 5 ALA CB 1 1 12 1718 1 1 5 ALA H H 2.521 0.322 1.496 1.00 . A A . 5 ALA H 1 1 12 1719 1 1 5 ALA HA H 1.541 -2.125 0.795 1.00 . A A . 5 ALA HA 1 1 12 1720 1 1 5 ALA HB1 H 2.525 -1.365 3.390 1.00 . A A . 5 ALA HB1 1 1 12 1721 1 1 5 ALA HB2 H 2.393 -2.909 2.875 1.00 . A A . 5 ALA HB2 1 1 12 1722 1 1 5 ALA HB3 H 3.452 -1.895 2.155 1.00 . A A . 5 ALA HB3 1 1 12 1723 1 1 5 ALA N N 1.704 -0.159 1.178 1.00 . A A . 5 ALA N 1 1 12 1724 1 1 5 ALA O O -0.494 -2.784 2.158 1.00 . A A . 5 ALA O 1 1 12 1725 1 1 6 VAL C C -2.789 -1.212 2.469 1.00 . A A . 6 VAL C 1 1 12 1726 1 1 6 VAL CA C -1.741 -0.656 3.424 1.00 . A A . 6 VAL CA 1 1 12 1727 1 1 6 VAL CB C -2.172 0.746 3.886 1.00 . A A . 6 VAL CB 1 1 12 1728 1 1 6 VAL CG1 C -1.221 1.279 4.946 1.00 . A A . 6 VAL CG1 1 1 12 1729 1 1 6 VAL CG2 C -2.249 1.697 2.700 1.00 . A A . 6 VAL CG2 1 1 12 1730 1 1 6 VAL H H 0.106 0.221 2.814 1.00 . A A . 6 VAL H 1 1 12 1731 1 1 6 VAL HA H -1.692 -1.270 4.212 1.00 . A A . 6 VAL HA 1 1 12 1732 1 1 6 VAL HB H -3.076 0.662 4.306 1.00 . A A . 6 VAL HB 1 1 12 1733 1 1 6 VAL HG11 H -0.295 1.339 4.572 1.00 . A A . 6 VAL HG11 1 1 12 1734 1 1 6 VAL HG12 H -1.528 2.189 5.225 1.00 . A A . 6 VAL HG12 1 1 12 1735 1 1 6 VAL HG13 H -1.221 0.670 5.739 1.00 . A A . 6 VAL HG13 1 1 12 1736 1 1 6 VAL HG21 H -2.917 1.357 2.038 1.00 . A A . 6 VAL HG21 1 1 12 1737 1 1 6 VAL HG22 H -2.530 2.600 3.023 1.00 . A A . 6 VAL HG22 1 1 12 1738 1 1 6 VAL HG23 H -1.352 1.764 2.263 1.00 . A A . 6 VAL HG23 1 1 12 1739 1 1 6 VAL N N -0.422 -0.628 2.800 1.00 . A A . 6 VAL N 1 1 12 1740 1 1 6 VAL O O -3.771 -1.820 2.893 1.00 . A A . 6 VAL O 1 1 12 1741 1 1 7 GLY C C -2.860 -2.432 -0.814 1.00 . A A . 7 GLY C 1 1 12 1742 1 1 7 GLY CA C -3.509 -1.486 0.176 1.00 . A A . 7 GLY CA 1 1 12 1743 1 1 7 GLY H H -1.757 -0.500 0.884 1.00 . A A . 7 GLY H 1 1 12 1744 1 1 7 GLY HA2 H -4.252 -1.968 0.641 1.00 . A A . 7 GLY HA2 1 1 12 1745 1 1 7 GLY HA3 H -3.880 -0.703 -0.324 1.00 . A A . 7 GLY HA3 1 1 12 1746 1 1 7 GLY N N -2.573 -1.000 1.174 1.00 . A A . 7 GLY N 1 1 12 1747 1 1 7 GLY O O -3.509 -3.344 -1.328 1.00 . A A . 7 GLY O 1 1 12 1748 1 1 8 HIS C C -0.466 -4.387 -1.379 1.00 . A A . 8 HIS C 1 1 12 1749 1 1 8 HIS CA C -0.841 -3.056 -2.023 1.00 . A A . 8 HIS CA 1 1 12 1750 1 1 8 HIS CB C 0.417 -2.335 -2.505 1.00 . A A . 8 HIS CB 1 1 12 1751 1 1 8 HIS CD2 C -0.585 -1.578 -4.778 1.00 . A A . 8 HIS CD2 1 1 12 1752 1 1 8 HIS CE1 C 1.208 -1.857 -6.003 1.00 . A A . 8 HIS CE1 1 1 12 1753 1 1 8 HIS CG C 0.419 -2.036 -3.979 1.00 . A A . 8 HIS CG 1 1 12 1754 1 1 8 HIS H H -1.106 -1.456 -0.637 1.00 . A A . 8 HIS H 1 1 12 1755 1 1 8 HIS HA H -1.436 -3.246 -2.804 1.00 . A A . 8 HIS HA 1 1 12 1756 1 1 8 HIS HB2 H 0.496 -1.470 -2.009 1.00 . A A . 8 HIS HB2 1 1 12 1757 1 1 8 HIS HB3 H 1.209 -2.910 -2.300 1.00 . A A . 8 HIS HB3 1 1 12 1758 1 1 8 HIS HD2 H -1.519 -1.361 -4.494 1.00 . A A . 8 HIS HD2 1 1 12 1759 1 1 8 HIS HE1 H 1.826 -1.879 -6.789 1.00 . A A . 8 HIS HE1 1 1 12 1760 1 1 8 HIS HE2 H -0.541 -1.163 -6.884 1.00 . A A . 8 HIS HE2 1 1 12 1761 1 1 8 HIS N N -1.578 -2.215 -1.086 1.00 . A A . 8 HIS N 1 1 12 1762 1 1 8 HIS ND1 N 1.543 -2.206 -4.770 1.00 . A A . 8 HIS ND1 1 1 12 1763 1 1 8 HIS NE2 N -0.069 -1.470 -6.057 1.00 . A A . 8 HIS NE2 1 1 12 1764 1 1 8 HIS O O -0.176 -5.364 -2.071 1.00 . A A . 8 HIS O 1 1 12 1765 1 1 9 LEU C C -1.280 -6.054 1.597 1.00 . A A . 9 LEU C 1 1 12 1766 1 1 9 LEU CA C -0.132 -5.630 0.687 1.00 . A A . 9 LEU CA 1 1 12 1767 1 1 9 LEU CB C 1.134 -5.409 1.515 1.00 . A A . 9 LEU CB 1 1 12 1768 1 1 9 LEU CD1 C 3.633 -5.329 1.707 1.00 . A A . 9 LEU CD1 1 1 12 1769 1 1 9 LEU CD2 C 2.546 -7.062 0.267 1.00 . A A . 9 LEU CD2 1 1 12 1770 1 1 9 LEU CG C 2.460 -5.634 0.788 1.00 . A A . 9 LEU CG 1 1 12 1771 1 1 9 LEU H H -0.718 -3.592 0.455 1.00 . A A . 9 LEU H 1 1 12 1772 1 1 9 LEU HA H 0.031 -6.363 0.027 1.00 . A A . 9 LEU HA 1 1 12 1773 1 1 9 LEU HB2 H 1.123 -4.465 1.845 1.00 . A A . 9 LEU HB2 1 1 12 1774 1 1 9 LEU HB3 H 1.103 -6.035 2.294 1.00 . A A . 9 LEU HB3 1 1 12 1775 1 1 9 LEU HD11 H 3.585 -4.375 2.004 1.00 . A A . 9 LEU HD11 1 1 12 1776 1 1 9 LEU HD12 H 3.596 -5.930 2.506 1.00 . A A . 9 LEU HD12 1 1 12 1777 1 1 9 LEU HD13 H 4.490 -5.482 1.215 1.00 . A A . 9 LEU HD13 1 1 12 1778 1 1 9 LEU HD21 H 1.788 -7.224 -0.365 1.00 . A A . 9 LEU HD21 1 1 12 1779 1 1 9 LEU HD22 H 3.414 -7.208 -0.208 1.00 . A A . 9 LEU HD22 1 1 12 1780 1 1 9 LEU HD23 H 2.478 -7.695 1.038 1.00 . A A . 9 LEU HD23 1 1 12 1781 1 1 9 LEU HG H 2.502 -5.032 -0.010 1.00 . A A . 9 LEU HG 1 1 12 1782 1 1 9 LEU N N -0.473 -4.419 -0.051 1.00 . A A . 9 LEU N 1 1 12 1783 1 1 9 LEU O O -1.960 -7.047 1.335 1.00 . A A . 9 LEU O 1 1 12 1784 1 1 10 MET C C -3.787 -4.726 3.337 1.00 . A A . 10 MET C 1 1 12 1785 1 1 10 MET CA C -2.561 -5.590 3.615 1.00 . A A . 10 MET CA 1 1 12 1786 1 1 10 MET CB C -2.078 -5.365 5.048 1.00 . A A . 10 MET CB 1 1 12 1787 1 1 10 MET CE C 0.730 -3.259 5.765 1.00 . A A . 10 MET CE 1 1 12 1788 1 1 10 MET CG C -1.945 -3.897 5.421 1.00 . A A . 10 MET CG 1 1 12 1789 1 1 10 MET H H -0.904 -4.502 2.826 1.00 . A A . 10 MET H 1 1 12 1790 1 1 10 MET HA H -2.826 -6.546 3.490 1.00 . A A . 10 MET HA 1 1 12 1791 1 1 10 MET HB2 H -2.731 -5.792 5.673 1.00 . A A . 10 MET HB2 1 1 12 1792 1 1 10 MET HB3 H -1.184 -5.800 5.153 1.00 . A A . 10 MET HB3 1 1 12 1793 1 1 10 MET HE1 H 0.939 -4.043 5.180 1.00 . A A . 10 MET HE1 1 1 12 1794 1 1 10 MET HE2 H 0.558 -2.455 5.196 1.00 . A A . 10 MET HE2 1 1 12 1795 1 1 10 MET HE3 H 1.505 -3.079 6.371 1.00 . A A . 10 MET HE3 1 1 12 1796 1 1 10 MET HG2 H -1.665 -3.389 4.606 1.00 . A A . 10 MET HG2 1 1 12 1797 1 1 10 MET HG3 H -2.838 -3.568 5.728 1.00 . A A . 10 MET HG3 1 1 12 1798 1 1 10 MET N N -1.492 -5.295 2.667 1.00 . A A . 10 MET N 1 1 12 1799 1 1 10 MET O O -4.876 -5.240 3.076 1.00 . A A . 10 MET O 1 1 12 1800 1 1 10 MET SD S -0.735 -3.620 6.730 1.00 . A A . 10 MET SD 1 1 13 1801 1 1 1 GLY C C -0.449 9.627 3.703 1.00 . A A . 1 GLY C 1 1 13 1802 1 1 1 GLY CA C -0.678 10.943 2.986 1.00 . A A . 1 GLY CA 1 1 13 1803 1 1 1 GLY H1 H 1.263 11.469 2.809 1.00 . A A . 1 GLY H1 1 1 13 1804 1 1 1 GLY H2 H 0.225 12.722 2.678 1.00 . A A . 1 GLY H2 1 1 13 1805 1 1 1 GLY H3 H 0.536 12.068 4.142 1.00 . A A . 1 GLY H3 1 1 13 1806 1 1 1 GLY HA2 H -1.514 11.361 3.342 1.00 . A A . 1 GLY HA2 1 1 13 1807 1 1 1 GLY HA3 H -0.786 10.761 2.009 1.00 . A A . 1 GLY HA3 1 1 13 1808 1 1 1 GLY N N 0.422 11.873 3.168 1.00 . A A . 1 GLY N 1 1 13 1809 1 1 1 GLY O O 0.255 9.577 4.712 1.00 . A A . 1 GLY O 1 1 13 1810 1 1 2 ASN C C 0.180 6.431 3.070 1.00 . A A . 2 ASN C 1 1 13 1811 1 1 2 ASN CA C -0.903 7.238 3.781 1.00 . A A . 2 ASN CA 1 1 13 1812 1 1 2 ASN CB C -2.234 6.485 3.726 1.00 . A A . 2 ASN CB 1 1 13 1813 1 1 2 ASN CG C -3.093 6.741 4.949 1.00 . A A . 2 ASN CG 1 1 13 1814 1 1 2 ASN H H -1.602 8.666 2.359 1.00 . A A . 2 ASN H 1 1 13 1815 1 1 2 ASN HA H -0.590 7.378 4.720 1.00 . A A . 2 ASN HA 1 1 13 1816 1 1 2 ASN HB2 H -2.736 6.780 2.913 1.00 . A A . 2 ASN HB2 1 1 13 1817 1 1 2 ASN HB3 H -2.046 5.505 3.664 1.00 . A A . 2 ASN HB3 1 1 13 1818 1 1 2 ASN HD21 H -1.661 5.989 6.163 1.00 . A A . 2 ASN HD21 1 1 13 1819 1 1 2 ASN HD22 H -3.096 6.540 6.961 1.00 . A A . 2 ASN HD22 1 1 13 1820 1 1 2 ASN N N -1.044 8.560 3.182 1.00 . A A . 2 ASN N 1 1 13 1821 1 1 2 ASN ND2 N -2.574 6.395 6.121 1.00 . A A . 2 ASN ND2 1 1 13 1822 1 1 2 ASN O O 0.801 6.907 2.120 1.00 . A A . 2 ASN O 1 1 13 1823 1 1 2 ASN OD1 O -4.212 7.244 4.841 1.00 . A A . 2 ASN OD1 1 1 13 1824 1 1 3 HIS C C 0.857 3.629 1.708 1.00 . A A . 3 HIS C 1 1 13 1825 1 1 3 HIS CA C 1.407 4.333 2.946 1.00 . A A . 3 HIS CA 1 1 13 1826 1 1 3 HIS CB C 1.878 3.294 3.966 1.00 . A A . 3 HIS CB 1 1 13 1827 1 1 3 HIS CD2 C 4.230 2.288 3.519 1.00 . A A . 3 HIS CD2 1 1 13 1828 1 1 3 HIS CE1 C 5.397 3.717 4.697 1.00 . A A . 3 HIS CE1 1 1 13 1829 1 1 3 HIS CG C 3.375 3.193 4.073 1.00 . A A . 3 HIS CG 1 1 13 1830 1 1 3 HIS H H -0.138 4.876 4.314 1.00 . A A . 3 HIS H 1 1 13 1831 1 1 3 HIS HA H 2.181 4.899 2.662 1.00 . A A . 3 HIS HA 1 1 13 1832 1 1 3 HIS HB2 H 1.514 3.542 4.864 1.00 . A A . 3 HIS HB2 1 1 13 1833 1 1 3 HIS HB3 H 1.520 2.400 3.697 1.00 . A A . 3 HIS HB3 1 1 13 1834 1 1 3 HIS HD2 H 3.983 1.518 2.931 1.00 . A A . 3 HIS HD2 1 1 13 1835 1 1 3 HIS HE1 H 6.168 4.184 5.129 1.00 . A A . 3 HIS HE1 1 1 13 1836 1 1 3 HIS HE2 H 6.368 2.181 3.698 1.00 . A A . 3 HIS HE2 1 1 13 1837 1 1 3 HIS N N 0.400 5.206 3.538 1.00 . A A . 3 HIS N 1 1 13 1838 1 1 3 HIS ND1 N 4.130 4.088 4.814 1.00 . A A . 3 HIS ND1 1 1 13 1839 1 1 3 HIS NE2 N 5.507 2.636 3.925 1.00 . A A . 3 HIS NE2 1 1 13 1840 1 1 3 HIS O O -0.224 3.963 1.223 1.00 . A A . 3 HIS O 1 1 13 1841 1 1 4 TRP C C 0.845 0.472 0.381 1.00 . A A . 4 TRP C 1 1 13 1842 1 1 4 TRP CA C 1.197 1.911 0.020 1.00 . A A . 4 TRP CA 1 1 13 1843 1 1 4 TRP CB C 2.306 1.928 -1.033 1.00 . A A . 4 TRP CB 1 1 13 1844 1 1 4 TRP CD1 C 4.561 2.275 0.134 1.00 . A A . 4 TRP CD1 1 1 13 1845 1 1 4 TRP CD2 C 4.195 0.177 -0.558 1.00 . A A . 4 TRP CD2 1 1 13 1846 1 1 4 TRP CE2 C 5.459 0.232 0.062 1.00 . A A . 4 TRP CE2 1 1 13 1847 1 1 4 TRP CE3 C 3.749 -1.044 -1.072 1.00 . A A . 4 TRP CE3 1 1 13 1848 1 1 4 TRP CG C 3.638 1.494 -0.501 1.00 . A A . 4 TRP CG 1 1 13 1849 1 1 4 TRP CH2 C 5.818 -2.069 -0.332 1.00 . A A . 4 TRP CH2 1 1 13 1850 1 1 4 TRP CZ2 C 6.279 -0.888 0.180 1.00 . A A . 4 TRP CZ2 1 1 13 1851 1 1 4 TRP CZ3 C 4.565 -2.154 -0.954 1.00 . A A . 4 TRP CZ3 1 1 13 1852 1 1 4 TRP H H 2.479 2.436 1.642 1.00 . A A . 4 TRP H 1 1 13 1853 1 1 4 TRP HA H 0.366 2.342 -0.331 1.00 . A A . 4 TRP HA 1 1 13 1854 1 1 4 TRP HB2 H 2.048 1.312 -1.778 1.00 . A A . 4 TRP HB2 1 1 13 1855 1 1 4 TRP HB3 H 2.396 2.859 -1.387 1.00 . A A . 4 TRP HB3 1 1 13 1856 1 1 4 TRP HD1 H 4.454 3.251 0.323 1.00 . A A . 4 TRP HD1 1 1 13 1857 1 1 4 TRP HE1 H 6.473 1.859 0.948 1.00 . A A . 4 TRP HE1 1 1 13 1858 1 1 4 TRP HE3 H 2.856 -1.115 -1.517 1.00 . A A . 4 TRP HE3 1 1 13 1859 1 1 4 TRP HH2 H 6.384 -2.890 -0.263 1.00 . A A . 4 TRP HH2 1 1 13 1860 1 1 4 TRP HZ2 H 7.173 -0.826 0.624 1.00 . A A . 4 TRP HZ2 1 1 13 1861 1 1 4 TRP HZ3 H 4.255 -3.032 -1.319 1.00 . A A . 4 TRP HZ3 1 1 13 1862 1 1 4 TRP N N 1.609 2.659 1.202 1.00 . A A . 4 TRP N 1 1 13 1863 1 1 4 TRP NE1 N 5.659 1.522 0.475 1.00 . A A . 4 TRP NE1 1 1 13 1864 1 1 4 TRP O O -0.179 -0.054 -0.052 1.00 . A A . 4 TRP O 1 1 13 1865 1 1 5 ALA C C 0.093 -1.707 2.213 1.00 . A A . 5 ALA C 1 1 13 1866 1 1 5 ALA CA C 1.479 -1.537 1.600 1.00 . A A . 5 ALA CA 1 1 13 1867 1 1 5 ALA CB C 2.553 -1.965 2.590 1.00 . A A . 5 ALA CB 1 1 13 1868 1 1 5 ALA H H 2.519 0.323 1.496 1.00 . A A . 5 ALA H 1 1 13 1869 1 1 5 ALA HA H 1.541 -2.127 0.795 1.00 . A A . 5 ALA HA 1 1 13 1870 1 1 5 ALA HB1 H 2.523 -1.367 3.391 1.00 . A A . 5 ALA HB1 1 1 13 1871 1 1 5 ALA HB2 H 2.393 -2.910 2.874 1.00 . A A . 5 ALA HB2 1 1 13 1872 1 1 5 ALA HB3 H 3.451 -1.895 2.155 1.00 . A A . 5 ALA HB3 1 1 13 1873 1 1 5 ALA N N 1.702 -0.159 1.178 1.00 . A A . 5 ALA N 1 1 13 1874 1 1 5 ALA O O -0.494 -2.787 2.154 1.00 . A A . 5 ALA O 1 1 13 1875 1 1 6 VAL C C -2.789 -1.218 2.468 1.00 . A A . 6 VAL C 1 1 13 1876 1 1 6 VAL CA C -1.743 -0.663 3.426 1.00 . A A . 6 VAL CA 1 1 13 1877 1 1 6 VAL CB C -2.174 0.739 3.888 1.00 . A A . 6 VAL CB 1 1 13 1878 1 1 6 VAL CG1 C -1.222 1.271 4.948 1.00 . A A . 6 VAL CG1 1 1 13 1879 1 1 6 VAL CG2 C -2.252 1.691 2.704 1.00 . A A . 6 VAL CG2 1 1 13 1880 1 1 6 VAL H H 0.103 0.216 2.816 1.00 . A A . 6 VAL H 1 1 13 1881 1 1 6 VAL HA H -1.693 -1.278 4.213 1.00 . A A . 6 VAL HA 1 1 13 1882 1 1 6 VAL HB H -3.077 0.656 4.309 1.00 . A A . 6 VAL HB 1 1 13 1883 1 1 6 VAL HG11 H -0.297 1.331 4.574 1.00 . A A . 6 VAL HG11 1 1 13 1884 1 1 6 VAL HG12 H -1.528 2.181 5.227 1.00 . A A . 6 VAL HG12 1 1 13 1885 1 1 6 VAL HG13 H -1.222 0.662 5.741 1.00 . A A . 6 VAL HG13 1 1 13 1886 1 1 6 VAL HG21 H -2.920 1.351 2.043 1.00 . A A . 6 VAL HG21 1 1 13 1887 1 1 6 VAL HG22 H -2.533 2.594 3.028 1.00 . A A . 6 VAL HG22 1 1 13 1888 1 1 6 VAL HG23 H -1.355 1.758 2.267 1.00 . A A . 6 VAL HG23 1 1 13 1889 1 1 6 VAL N N -0.424 -0.633 2.801 1.00 . A A . 6 VAL N 1 1 13 1890 1 1 6 VAL O O -3.772 -1.827 2.891 1.00 . A A . 6 VAL O 1 1 13 1891 1 1 7 GLY C C -2.861 -2.431 -0.817 1.00 . A A . 7 GLY C 1 1 13 1892 1 1 7 GLY CA C -3.510 -1.488 0.176 1.00 . A A . 7 GLY CA 1 1 13 1893 1 1 7 GLY H H -1.760 -0.501 0.883 1.00 . A A . 7 GLY H 1 1 13 1894 1 1 7 GLY HA2 H -4.252 -1.972 0.640 1.00 . A A . 7 GLY HA2 1 1 13 1895 1 1 7 GLY HA3 H -3.883 -0.705 -0.322 1.00 . A A . 7 GLY HA3 1 1 13 1896 1 1 7 GLY N N -2.575 -1.003 1.173 1.00 . A A . 7 GLY N 1 1 13 1897 1 1 7 GLY O O -3.509 -3.341 -1.336 1.00 . A A . 7 GLY O 1 1 13 1898 1 1 8 HIS C C -0.464 -4.387 -1.381 1.00 . A A . 8 HIS C 1 1 13 1899 1 1 8 HIS CA C -0.839 -3.054 -2.022 1.00 . A A . 8 HIS CA 1 1 13 1900 1 1 8 HIS CB C 0.419 -2.332 -2.502 1.00 . A A . 8 HIS CB 1 1 13 1901 1 1 8 HIS CD2 C -0.574 -1.554 -4.772 1.00 . A A . 8 HIS CD2 1 1 13 1902 1 1 8 HIS CE1 C 1.211 -1.864 -6.002 1.00 . A A . 8 HIS CE1 1 1 13 1903 1 1 8 HIS CG C 0.424 -2.031 -3.976 1.00 . A A . 8 HIS CG 1 1 13 1904 1 1 8 HIS H H -1.105 -1.460 -0.630 1.00 . A A . 8 HIS H 1 1 13 1905 1 1 8 HIS HA H -1.433 -3.243 -2.804 1.00 . A A . 8 HIS HA 1 1 13 1906 1 1 8 HIS HB2 H 0.497 -1.468 -2.005 1.00 . A A . 8 HIS HB2 1 1 13 1907 1 1 8 HIS HB3 H 1.211 -2.906 -2.297 1.00 . A A . 8 HIS HB3 1 1 13 1908 1 1 8 HIS HD2 H -1.503 -1.320 -4.486 1.00 . A A . 8 HIS HD2 1 1 13 1909 1 1 8 HIS HE1 H 1.827 -1.897 -6.789 1.00 . A A . 8 HIS HE1 1 1 13 1910 1 1 8 HIS HE2 H -0.525 -1.137 -6.877 1.00 . A A . 8 HIS HE2 1 1 13 1911 1 1 8 HIS N N -1.577 -2.216 -1.084 1.00 . A A . 8 HIS N 1 1 13 1912 1 1 8 HIS ND1 N 1.542 -2.221 -4.770 1.00 . A A . 8 HIS ND1 1 1 13 1913 1 1 8 HIS NE2 N -0.058 -1.454 -6.052 1.00 . A A . 8 HIS NE2 1 1 13 1914 1 1 8 HIS O O -0.171 -5.362 -2.076 1.00 . A A . 8 HIS O 1 1 13 1915 1 1 9 LEU C C -1.284 -6.063 1.589 1.00 . A A . 9 LEU C 1 1 13 1916 1 1 9 LEU CA C -0.135 -5.637 0.682 1.00 . A A . 9 LEU CA 1 1 13 1917 1 1 9 LEU CB C 1.131 -5.416 1.512 1.00 . A A . 9 LEU CB 1 1 13 1918 1 1 9 LEU CD1 C 3.629 -5.336 1.706 1.00 . A A . 9 LEU CD1 1 1 13 1919 1 1 9 LEU CD2 C 2.545 -7.063 0.259 1.00 . A A . 9 LEU CD2 1 1 13 1920 1 1 9 LEU CG C 2.457 -5.638 0.785 1.00 . A A . 9 LEU CG 1 1 13 1921 1 1 9 LEU H H -0.720 -3.598 0.454 1.00 . A A . 9 LEU H 1 1 13 1922 1 1 9 LEU HA H 0.028 -6.369 0.020 1.00 . A A . 9 LEU HA 1 1 13 1923 1 1 9 LEU HB2 H 1.119 -4.473 1.844 1.00 . A A . 9 LEU HB2 1 1 13 1924 1 1 9 LEU HB3 H 1.101 -6.043 2.290 1.00 . A A . 9 LEU HB3 1 1 13 1925 1 1 9 LEU HD11 H 3.580 -4.384 2.007 1.00 . A A . 9 LEU HD11 1 1 13 1926 1 1 9 LEU HD12 H 3.592 -5.939 2.503 1.00 . A A . 9 LEU HD12 1 1 13 1927 1 1 9 LEU HD13 H 4.486 -5.487 1.214 1.00 . A A . 9 LEU HD13 1 1 13 1928 1 1 9 LEU HD21 H 1.788 -7.224 -0.374 1.00 . A A . 9 LEU HD21 1 1 13 1929 1 1 9 LEU HD22 H 3.413 -7.206 -0.216 1.00 . A A . 9 LEU HD22 1 1 13 1930 1 1 9 LEU HD23 H 2.477 -7.699 1.028 1.00 . A A . 9 LEU HD23 1 1 13 1931 1 1 9 LEU HG H 2.500 -5.033 -0.010 1.00 . A A . 9 LEU HG 1 1 13 1932 1 1 9 LEU N N -0.474 -4.423 -0.054 1.00 . A A . 9 LEU N 1 1 13 1933 1 1 9 LEU O O -1.952 -7.063 1.333 1.00 . A A . 9 LEU O 1 1 13 1934 1 1 10 MET C C -3.708 -4.571 3.475 1.00 . A A . 10 MET C 1 1 13 1935 1 1 10 MET CA C -2.580 -5.591 3.594 1.00 . A A . 10 MET CA 1 1 13 1936 1 1 10 MET CB C -2.039 -5.605 5.025 1.00 . A A . 10 MET CB 1 1 13 1937 1 1 10 MET CE C 0.798 -2.676 5.912 1.00 . A A . 10 MET CE 1 1 13 1938 1 1 10 MET CG C -1.406 -4.289 5.449 1.00 . A A . 10 MET CG 1 1 13 1939 1 1 10 MET H H -0.930 -4.494 2.806 1.00 . A A . 10 MET H 1 1 13 1940 1 1 10 MET HA H -2.954 -6.488 3.360 1.00 . A A . 10 MET HA 1 1 13 1941 1 1 10 MET HB2 H -2.795 -5.807 5.648 1.00 . A A . 10 MET HB2 1 1 13 1942 1 1 10 MET HB3 H -1.348 -6.325 5.096 1.00 . A A . 10 MET HB3 1 1 13 1943 1 1 10 MET HE1 H 0.315 -1.959 5.409 1.00 . A A . 10 MET HE1 1 1 13 1944 1 1 10 MET HE2 H 0.518 -2.656 6.872 1.00 . A A . 10 MET HE2 1 1 13 1945 1 1 10 MET HE3 H 1.784 -2.521 5.849 1.00 . A A . 10 MET HE3 1 1 13 1946 1 1 10 MET HG2 H -1.815 -3.554 4.907 1.00 . A A . 10 MET HG2 1 1 13 1947 1 1 10 MET HG3 H -1.607 -4.141 6.417 1.00 . A A . 10 MET HG3 1 1 13 1948 1 1 10 MET N N -1.509 -5.294 2.651 1.00 . A A . 10 MET N 1 1 13 1949 1 1 10 MET O O -4.884 -4.932 3.425 1.00 . A A . 10 MET O 1 1 13 1950 1 1 10 MET SD S 0.381 -4.269 5.211 1.00 . A A . 10 MET SD 1 1 14 1951 1 1 1 GLY C C -0.591 9.639 3.818 1.00 . A A . 1 GLY C 1 1 14 1952 1 1 1 GLY CA C -0.801 10.958 3.098 1.00 . A A . 1 GLY CA 1 1 14 1953 1 1 1 GLY H1 H 0.522 12.038 4.174 1.00 . A A . 1 GLY H1 1 1 14 1954 1 1 1 GLY H2 H -0.598 12.943 3.403 1.00 . A A . 1 GLY H2 1 1 14 1955 1 1 1 GLY H3 H -1.006 12.106 4.745 1.00 . A A . 1 GLY H3 1 1 14 1956 1 1 1 GLY HA2 H -1.765 11.035 2.844 1.00 . A A . 1 GLY HA2 1 1 14 1957 1 1 1 GLY HA3 H -0.237 10.967 2.272 1.00 . A A . 1 GLY HA3 1 1 14 1958 1 1 1 GLY N N -0.443 12.100 3.919 1.00 . A A . 1 GLY N 1 1 14 1959 1 1 1 GLY O O -0.023 9.604 4.908 1.00 . A A . 1 GLY O 1 1 14 1960 1 1 2 ASN C C 0.174 6.426 3.084 1.00 . A A . 2 ASN C 1 1 14 1961 1 1 2 ASN CA C -0.913 7.226 3.794 1.00 . A A . 2 ASN CA 1 1 14 1962 1 1 2 ASN CB C -2.243 6.475 3.726 1.00 . A A . 2 ASN CB 1 1 14 1963 1 1 2 ASN CG C -3.100 6.703 4.957 1.00 . A A . 2 ASN CG 1 1 14 1964 1 1 2 ASN H H -1.503 8.650 2.318 1.00 . A A . 2 ASN H 1 1 14 1965 1 1 2 ASN HA H -0.606 7.358 4.737 1.00 . A A . 2 ASN HA 1 1 14 1966 1 1 2 ASN HB2 H -2.747 6.788 2.921 1.00 . A A . 2 ASN HB2 1 1 14 1967 1 1 2 ASN HB3 H -2.055 5.496 3.642 1.00 . A A . 2 ASN HB3 1 1 14 1968 1 1 2 ASN HD21 H -1.822 5.625 6.096 1.00 . A A . 2 ASN HD21 1 1 14 1969 1 1 2 ASN HD22 H -3.195 6.270 6.931 1.00 . A A . 2 ASN HD22 1 1 14 1970 1 1 2 ASN N N -1.051 8.554 3.205 1.00 . A A . 2 ASN N 1 1 14 1971 1 1 2 ASN ND2 N -2.670 6.154 6.088 1.00 . A A . 2 ASN ND2 1 1 14 1972 1 1 2 ASN O O 0.800 6.910 2.140 1.00 . A A . 2 ASN O 1 1 14 1973 1 1 2 ASN OD1 O -4.136 7.363 4.892 1.00 . A A . 2 ASN OD1 1 1 14 1974 1 1 3 HIS C C 0.856 3.627 1.711 1.00 . A A . 3 HIS C 1 1 14 1975 1 1 3 HIS CA C 1.403 4.329 2.950 1.00 . A A . 3 HIS CA 1 1 14 1976 1 1 3 HIS CB C 1.878 3.291 3.969 1.00 . A A . 3 HIS CB 1 1 14 1977 1 1 3 HIS CD2 C 4.225 2.279 3.515 1.00 . A A . 3 HIS CD2 1 1 14 1978 1 1 3 HIS CE1 C 5.400 3.713 4.680 1.00 . A A . 3 HIS CE1 1 1 14 1979 1 1 3 HIS CG C 3.374 3.188 4.068 1.00 . A A . 3 HIS CG 1 1 14 1980 1 1 3 HIS H H -0.150 4.861 4.312 1.00 . A A . 3 HIS H 1 1 14 1981 1 1 3 HIS HA H 2.175 4.898 2.668 1.00 . A A . 3 HIS HA 1 1 14 1982 1 1 3 HIS HB2 H 1.519 3.541 4.868 1.00 . A A . 3 HIS HB2 1 1 14 1983 1 1 3 HIS HB3 H 1.517 2.397 3.703 1.00 . A A . 3 HIS HB3 1 1 14 1984 1 1 3 HIS HD2 H 3.973 1.507 2.932 1.00 . A A . 3 HIS HD2 1 1 14 1985 1 1 3 HIS HE1 H 6.174 4.181 5.106 1.00 . A A . 3 HIS HE1 1 1 14 1986 1 1 3 HIS HE2 H 6.363 2.165 3.682 1.00 . A A . 3 HIS HE2 1 1 14 1987 1 1 3 HIS N N 0.392 5.198 3.542 1.00 . A A . 3 HIS N 1 1 14 1988 1 1 3 HIS ND1 N 4.134 4.086 4.800 1.00 . A A . 3 HIS ND1 1 1 14 1989 1 1 3 HIS NE2 N 5.505 2.625 3.912 1.00 . A A . 3 HIS NE2 1 1 14 1990 1 1 3 HIS O O -0.227 3.955 1.226 1.00 . A A . 3 HIS O 1 1 14 1991 1 1 4 TRP C C 0.851 0.474 0.379 1.00 . A A . 4 TRP C 1 1 14 1992 1 1 4 TRP CA C 1.204 1.913 0.019 1.00 . A A . 4 TRP CA 1 1 14 1993 1 1 4 TRP CB C 2.317 1.931 -1.030 1.00 . A A . 4 TRP CB 1 1 14 1994 1 1 4 TRP CD1 C 4.569 2.277 0.143 1.00 . A A . 4 TRP CD1 1 1 14 1995 1 1 4 TRP CD2 C 4.203 0.177 -0.548 1.00 . A A . 4 TRP CD2 1 1 14 1996 1 1 4 TRP CE2 C 5.465 0.232 0.076 1.00 . A A . 4 TRP CE2 1 1 14 1997 1 1 4 TRP CE3 C 3.757 -1.043 -1.061 1.00 . A A . 4 TRP CE3 1 1 14 1998 1 1 4 TRP CG C 3.647 1.496 -0.494 1.00 . A A . 4 TRP CG 1 1 14 1999 1 1 4 TRP CH2 C 5.823 -2.070 -0.314 1.00 . A A . 4 TRP CH2 1 1 14 2000 1 1 4 TRP CZ2 C 6.283 -0.888 0.198 1.00 . A A . 4 TRP CZ2 1 1 14 2001 1 1 4 TRP CZ3 C 4.571 -2.154 -0.940 1.00 . A A . 4 TRP CZ3 1 1 14 2002 1 1 4 TRP H H 2.484 2.442 1.641 1.00 . A A . 4 TRP H 1 1 14 2003 1 1 4 TRP HA H 0.374 2.344 -0.335 1.00 . A A . 4 TRP HA 1 1 14 2004 1 1 4 TRP HB2 H 2.062 1.316 -1.776 1.00 . A A . 4 TRP HB2 1 1 14 2005 1 1 4 TRP HB3 H 2.409 2.862 -1.382 1.00 . A A . 4 TRP HB3 1 1 14 2006 1 1 4 TRP HD1 H 4.463 3.253 0.331 1.00 . A A . 4 TRP HD1 1 1 14 2007 1 1 4 TRP HE1 H 6.479 1.859 0.964 1.00 . A A . 4 TRP HE1 1 1 14 2008 1 1 4 TRP HE3 H 2.865 -1.113 -1.508 1.00 . A A . 4 TRP HE3 1 1 14 2009 1 1 4 TRP HH2 H 6.388 -2.892 -0.242 1.00 . A A . 4 TRP HH2 1 1 14 2010 1 1 4 TRP HZ2 H 7.175 -0.826 0.645 1.00 . A A . 4 TRP HZ2 1 1 14 2011 1 1 4 TRP HZ3 H 4.261 -3.032 -1.305 1.00 . A A . 4 TRP HZ3 1 1 14 2012 1 1 4 TRP N N 1.613 2.661 1.202 1.00 . A A . 4 TRP N 1 1 14 2013 1 1 4 TRP NE1 N 5.666 1.523 0.489 1.00 . A A . 4 TRP NE1 1 1 14 2014 1 1 4 TRP O O -0.173 -0.050 -0.058 1.00 . A A . 4 TRP O 1 1 14 2015 1 1 5 ALA C C 0.094 -1.703 2.213 1.00 . A A . 5 ALA C 1 1 14 2016 1 1 5 ALA CA C 1.480 -1.535 1.597 1.00 . A A . 5 ALA CA 1 1 14 2017 1 1 5 ALA CB C 2.553 -1.967 2.586 1.00 . A A . 5 ALA CB 1 1 14 2018 1 1 5 ALA H H 2.520 0.323 1.497 1.00 . A A . 5 ALA H 1 1 14 2019 1 1 5 ALA HA H 1.540 -2.124 0.791 1.00 . A A . 5 ALA HA 1 1 14 2020 1 1 5 ALA HB1 H 2.524 -1.370 3.388 1.00 . A A . 5 ALA HB1 1 1 14 2021 1 1 5 ALA HB2 H 2.392 -2.913 2.869 1.00 . A A . 5 ALA HB2 1 1 14 2022 1 1 5 ALA HB3 H 3.451 -1.898 2.151 1.00 . A A . 5 ALA HB3 1 1 14 2023 1 1 5 ALA N N 1.704 -0.158 1.177 1.00 . A A . 5 ALA N 1 1 14 2024 1 1 5 ALA O O -0.493 -2.783 2.157 1.00 . A A . 5 ALA O 1 1 14 2025 1 1 6 VAL C C -2.788 -1.212 2.467 1.00 . A A . 6 VAL C 1 1 14 2026 1 1 6 VAL CA C -1.742 -0.656 3.423 1.00 . A A . 6 VAL CA 1 1 14 2027 1 1 6 VAL CB C -2.172 0.748 3.882 1.00 . A A . 6 VAL CB 1 1 14 2028 1 1 6 VAL CG1 C -1.222 1.280 4.945 1.00 . A A . 6 VAL CG1 1 1 14 2029 1 1 6 VAL CG2 C -2.245 1.698 2.697 1.00 . A A . 6 VAL CG2 1 1 14 2030 1 1 6 VAL H H 0.106 0.221 2.811 1.00 . A A . 6 VAL H 1 1 14 2031 1 1 6 VAL HA H -1.693 -1.270 4.211 1.00 . A A . 6 VAL HA 1 1 14 2032 1 1 6 VAL HB H -3.077 0.667 4.300 1.00 . A A . 6 VAL HB 1 1 14 2033 1 1 6 VAL HG11 H -0.295 1.338 4.574 1.00 . A A . 6 VAL HG11 1 1 14 2034 1 1 6 VAL HG12 H -1.528 2.191 5.222 1.00 . A A . 6 VAL HG12 1 1 14 2035 1 1 6 VAL HG13 H -1.226 0.672 5.739 1.00 . A A . 6 VAL HG13 1 1 14 2036 1 1 6 VAL HG21 H -2.912 1.358 2.034 1.00 . A A . 6 VAL HG21 1 1 14 2037 1 1 6 VAL HG22 H -2.526 2.602 3.019 1.00 . A A . 6 VAL HG22 1 1 14 2038 1 1 6 VAL HG23 H -1.347 1.763 2.262 1.00 . A A . 6 VAL HG23 1 1 14 2039 1 1 6 VAL N N -0.422 -0.628 2.798 1.00 . A A . 6 VAL N 1 1 14 2040 1 1 6 VAL O O -3.772 -1.820 2.893 1.00 . A A . 6 VAL O 1 1 14 2041 1 1 7 GLY C C -2.862 -2.436 -0.814 1.00 . A A . 7 GLY C 1 1 14 2042 1 1 7 GLY CA C -3.510 -1.488 0.176 1.00 . A A . 7 GLY CA 1 1 14 2043 1 1 7 GLY H H -1.758 -0.503 0.882 1.00 . A A . 7 GLY H 1 1 14 2044 1 1 7 GLY HA2 H -4.253 -1.969 0.641 1.00 . A A . 7 GLY HA2 1 1 14 2045 1 1 7 GLY HA3 H -3.881 -0.706 -0.324 1.00 . A A . 7 GLY HA3 1 1 14 2046 1 1 7 GLY N N -2.574 -1.002 1.173 1.00 . A A . 7 GLY N 1 1 14 2047 1 1 7 GLY O O -3.510 -3.351 -1.324 1.00 . A A . 7 GLY O 1 1 14 2048 1 1 8 HIS C C -0.467 -4.390 -1.379 1.00 . A A . 8 HIS C 1 1 14 2049 1 1 8 HIS CA C -0.844 -3.060 -2.023 1.00 . A A . 8 HIS CA 1 1 14 2050 1 1 8 HIS CB C 0.413 -2.340 -2.508 1.00 . A A . 8 HIS CB 1 1 14 2051 1 1 8 HIS CD2 C -0.600 -1.613 -4.785 1.00 . A A . 8 HIS CD2 1 1 14 2052 1 1 8 HIS CE1 C 1.206 -1.841 -6.004 1.00 . A A . 8 HIS CE1 1 1 14 2053 1 1 8 HIS CG C 0.414 -2.042 -3.982 1.00 . A A . 8 HIS CG 1 1 14 2054 1 1 8 HIS H H -1.108 -1.459 -0.638 1.00 . A A . 8 HIS H 1 1 14 2055 1 1 8 HIS HA H -1.440 -3.251 -2.803 1.00 . A A . 8 HIS HA 1 1 14 2056 1 1 8 HIS HB2 H 0.493 -1.475 -2.013 1.00 . A A . 8 HIS HB2 1 1 14 2057 1 1 8 HIS HB3 H 1.206 -2.915 -2.304 1.00 . A A . 8 HIS HB3 1 1 14 2058 1 1 8 HIS HD2 H -1.541 -1.423 -4.505 1.00 . A A . 8 HIS HD2 1 1 14 2059 1 1 8 HIS HE1 H 1.828 -1.846 -6.787 1.00 . A A . 8 HIS HE1 1 1 14 2060 1 1 8 HIS HE2 H -0.559 -1.196 -6.891 1.00 . A A . 8 HIS HE2 1 1 14 2061 1 1 8 HIS N N -1.580 -2.218 -1.086 1.00 . A A . 8 HIS N 1 1 14 2062 1 1 8 HIS ND1 N 1.545 -2.180 -4.768 1.00 . A A . 8 HIS ND1 1 1 14 2063 1 1 8 HIS NE2 N -0.082 -1.490 -6.063 1.00 . A A . 8 HIS NE2 1 1 14 2064 1 1 8 HIS O O -0.178 -5.368 -2.069 1.00 . A A . 8 HIS O 1 1 14 2065 1 1 9 LEU C C -1.276 -6.054 1.601 1.00 . A A . 9 LEU C 1 1 14 2066 1 1 9 LEU CA C -0.129 -5.630 0.689 1.00 . A A . 9 LEU CA 1 1 14 2067 1 1 9 LEU CB C 1.139 -5.405 1.516 1.00 . A A . 9 LEU CB 1 1 14 2068 1 1 9 LEU CD1 C 3.637 -5.324 1.705 1.00 . A A . 9 LEU CD1 1 1 14 2069 1 1 9 LEU CD2 C 2.551 -7.061 0.270 1.00 . A A . 9 LEU CD2 1 1 14 2070 1 1 9 LEU CG C 2.464 -5.632 0.788 1.00 . A A . 9 LEU CG 1 1 14 2071 1 1 9 LEU H H -0.715 -3.592 0.456 1.00 . A A . 9 LEU H 1 1 14 2072 1 1 9 LEU HA H 0.033 -6.364 0.030 1.00 . A A . 9 LEU HA 1 1 14 2073 1 1 9 LEU HB2 H 1.128 -4.460 1.843 1.00 . A A . 9 LEU HB2 1 1 14 2074 1 1 9 LEU HB3 H 1.110 -6.028 2.298 1.00 . A A . 9 LEU HB3 1 1 14 2075 1 1 9 LEU HD11 H 3.589 -4.370 2.000 1.00 . A A . 9 LEU HD11 1 1 14 2076 1 1 9 LEU HD12 H 3.601 -5.922 2.506 1.00 . A A . 9 LEU HD12 1 1 14 2077 1 1 9 LEU HD13 H 4.493 -5.478 1.212 1.00 . A A . 9 LEU HD13 1 1 14 2078 1 1 9 LEU HD21 H 1.793 -7.225 -0.361 1.00 . A A . 9 LEU HD21 1 1 14 2079 1 1 9 LEU HD22 H 3.418 -7.208 -0.206 1.00 . A A . 9 LEU HD22 1 1 14 2080 1 1 9 LEU HD23 H 2.484 -7.692 1.043 1.00 . A A . 9 LEU HD23 1 1 14 2081 1 1 9 LEU HG H 2.505 -5.033 -0.011 1.00 . A A . 9 LEU HG 1 1 14 2082 1 1 9 LEU N N -0.471 -4.420 -0.050 1.00 . A A . 9 LEU N 1 1 14 2083 1 1 9 LEU O O -1.962 -7.040 1.334 1.00 . A A . 9 LEU O 1 1 14 2084 1 1 10 MET C C -3.683 -4.588 3.497 1.00 . A A . 10 MET C 1 1 14 2085 1 1 10 MET CA C -2.546 -5.597 3.626 1.00 . A A . 10 MET CA 1 1 14 2086 1 1 10 MET CB C -2.001 -5.590 5.056 1.00 . A A . 10 MET CB 1 1 14 2087 1 1 10 MET CE C 0.942 -3.395 6.091 1.00 . A A . 10 MET CE 1 1 14 2088 1 1 10 MET CG C -1.658 -4.202 5.569 1.00 . A A . 10 MET CG 1 1 14 2089 1 1 10 MET H H -0.886 -4.513 2.840 1.00 . A A . 10 MET H 1 1 14 2090 1 1 10 MET HA H -2.912 -6.500 3.403 1.00 . A A . 10 MET HA 1 1 14 2091 1 1 10 MET HB2 H -2.691 -5.988 5.660 1.00 . A A . 10 MET HB2 1 1 14 2092 1 1 10 MET HB3 H -1.173 -6.150 5.082 1.00 . A A . 10 MET HB3 1 1 14 2093 1 1 10 MET HE1 H 1.210 -3.907 5.275 1.00 . A A . 10 MET HE1 1 1 14 2094 1 1 10 MET HE2 H 0.655 -2.474 5.828 1.00 . A A . 10 MET HE2 1 1 14 2095 1 1 10 MET HE3 H 1.719 -3.335 6.717 1.00 . A A . 10 MET HE3 1 1 14 2096 1 1 10 MET HG2 H -1.304 -3.663 4.805 1.00 . A A . 10 MET HG2 1 1 14 2097 1 1 10 MET HG3 H -2.495 -3.779 5.916 1.00 . A A . 10 MET HG3 1 1 14 2098 1 1 10 MET N N -1.479 -5.301 2.677 1.00 . A A . 10 MET N 1 1 14 2099 1 1 10 MET O O -4.790 -4.820 3.985 1.00 . A A . 10 MET O 1 1 14 2100 1 1 10 MET SD S -0.426 -4.233 6.887 1.00 . A A . 10 MET SD 1 1 15 2101 1 1 1 GLY C C -0.563 9.653 3.767 1.00 . A A . 1 GLY C 1 1 15 2102 1 1 1 GLY CA C -0.781 10.962 3.035 1.00 . A A . 1 GLY CA 1 1 15 2103 1 1 1 GLY H1 H -0.406 12.185 4.596 1.00 . A A . 1 GLY H1 1 1 15 2104 1 1 1 GLY H2 H -1.272 12.885 3.401 1.00 . A A . 1 GLY H2 1 1 15 2105 1 1 1 GLY H3 H -1.986 11.818 4.409 1.00 . A A . 1 GLY H3 1 1 15 2106 1 1 1 GLY HA2 H -1.518 10.839 2.370 1.00 . A A . 1 GLY HA2 1 1 15 2107 1 1 1 GLY HA3 H 0.062 11.206 2.557 1.00 . A A . 1 GLY HA3 1 1 15 2108 1 1 1 GLY N N -1.139 12.047 3.930 1.00 . A A . 1 GLY N 1 1 15 2109 1 1 1 GLY O O 0.021 9.631 4.850 1.00 . A A . 1 GLY O 1 1 15 2110 1 1 2 ASN C C 0.187 6.430 3.067 1.00 . A A . 2 ASN C 1 1 15 2111 1 1 2 ASN CA C -0.890 7.241 3.782 1.00 . A A . 2 ASN CA 1 1 15 2112 1 1 2 ASN CB C -2.221 6.489 3.741 1.00 . A A . 2 ASN CB 1 1 15 2113 1 1 2 ASN CG C -3.055 6.720 4.987 1.00 . A A . 2 ASN CG 1 1 15 2114 1 1 2 ASN H H -1.501 8.644 2.296 1.00 . A A . 2 ASN H 1 1 15 2115 1 1 2 ASN HA H -0.569 7.385 4.718 1.00 . A A . 2 ASN HA 1 1 15 2116 1 1 2 ASN HB2 H -2.740 6.799 2.945 1.00 . A A . 2 ASN HB2 1 1 15 2117 1 1 2 ASN HB3 H -2.034 5.510 3.656 1.00 . A A . 2 ASN HB3 1 1 15 2118 1 1 2 ASN HD21 H -2.927 4.763 5.481 1.00 . A A . 2 ASN HD21 1 1 15 2119 1 1 2 ASN HD22 H -3.835 5.748 6.580 1.00 . A A . 2 ASN HD22 1 1 15 2120 1 1 2 ASN N N -1.035 8.560 3.177 1.00 . A A . 2 ASN N 1 1 15 2121 1 1 2 ASN ND2 N -3.292 5.656 5.745 1.00 . A A . 2 ASN ND2 1 1 15 2122 1 1 2 ASN O O 0.800 6.900 2.109 1.00 . A A . 2 ASN O 1 1 15 2123 1 1 2 ASN OD1 O -3.479 7.842 5.264 1.00 . A A . 2 ASN OD1 1 1 15 2124 1 1 3 HIS C C 0.858 3.630 1.711 1.00 . A A . 3 HIS C 1 1 15 2125 1 1 3 HIS CA C 1.414 4.331 2.947 1.00 . A A . 3 HIS CA 1 1 15 2126 1 1 3 HIS CB C 1.885 3.293 3.966 1.00 . A A . 3 HIS CB 1 1 15 2127 1 1 3 HIS CD2 C 4.232 2.267 3.533 1.00 . A A . 3 HIS CD2 1 1 15 2128 1 1 3 HIS CE1 C 5.408 3.718 4.675 1.00 . A A . 3 HIS CE1 1 1 15 2129 1 1 3 HIS CG C 3.382 3.187 4.069 1.00 . A A . 3 HIS CG 1 1 15 2130 1 1 3 HIS H H -0.116 4.885 4.326 1.00 . A A . 3 HIS H 1 1 15 2131 1 1 3 HIS HA H 2.190 4.894 2.661 1.00 . A A . 3 HIS HA 1 1 15 2132 1 1 3 HIS HB2 H 1.525 3.544 4.865 1.00 . A A . 3 HIS HB2 1 1 15 2133 1 1 3 HIS HB3 H 1.524 2.399 3.699 1.00 . A A . 3 HIS HB3 1 1 15 2134 1 1 3 HIS HD2 H 3.979 1.485 2.963 1.00 . A A . 3 HIS HD2 1 1 15 2135 1 1 3 HIS HE1 H 6.183 4.192 5.094 1.00 . A A . 3 HIS HE1 1 1 15 2136 1 1 3 HIS HE2 H 6.368 2.151 3.703 1.00 . A A . 3 HIS HE2 1 1 15 2137 1 1 3 HIS N N 0.413 5.209 3.542 1.00 . A A . 3 HIS N 1 1 15 2138 1 1 3 HIS ND1 N 4.143 4.095 4.787 1.00 . A A . 3 HIS ND1 1 1 15 2139 1 1 3 HIS NE2 N 5.511 2.617 3.925 1.00 . A A . 3 HIS NE2 1 1 15 2140 1 1 3 HIS O O -0.226 3.962 1.232 1.00 . A A . 3 HIS O 1 1 15 2141 1 1 4 TRP C C 0.842 0.474 0.380 1.00 . A A . 4 TRP C 1 1 15 2142 1 1 4 TRP CA C 1.190 1.914 0.019 1.00 . A A . 4 TRP CA 1 1 15 2143 1 1 4 TRP CB C 2.295 1.933 -1.039 1.00 . A A . 4 TRP CB 1 1 15 2144 1 1 4 TRP CD1 C 4.558 2.273 0.112 1.00 . A A . 4 TRP CD1 1 1 15 2145 1 1 4 TRP CD2 C 4.180 0.175 -0.573 1.00 . A A . 4 TRP CD2 1 1 15 2146 1 1 4 TRP CE2 C 5.449 0.226 0.039 1.00 . A A . 4 TRP CE2 1 1 15 2147 1 1 4 TRP CE3 C 3.727 -1.046 -1.081 1.00 . A A . 4 TRP CE3 1 1 15 2148 1 1 4 TRP CG C 3.629 1.494 -0.515 1.00 . A A . 4 TRP CG 1 1 15 2149 1 1 4 TRP CH2 C 5.795 -2.077 -0.353 1.00 . A A . 4 TRP CH2 1 1 15 2150 1 1 4 TRP CZ2 C 6.265 -0.896 0.154 1.00 . A A . 4 TRP CZ2 1 1 15 2151 1 1 4 TRP CZ3 C 4.539 -2.158 -0.966 1.00 . A A . 4 TRP CZ3 1 1 15 2152 1 1 4 TRP H H 2.481 2.437 1.635 1.00 . A A . 4 TRP H 1 1 15 2153 1 1 4 TRP HA H 0.356 2.345 -0.326 1.00 . A A . 4 TRP HA 1 1 15 2154 1 1 4 TRP HB2 H 2.033 1.321 -1.785 1.00 . A A . 4 TRP HB2 1 1 15 2155 1 1 4 TRP HB3 H 2.385 2.865 -1.389 1.00 . A A . 4 TRP HB3 1 1 15 2156 1 1 4 TRP HD1 H 4.456 3.250 0.300 1.00 . A A . 4 TRP HD1 1 1 15 2157 1 1 4 TRP HE1 H 6.474 1.852 0.915 1.00 . A A . 4 TRP HE1 1 1 15 2158 1 1 4 TRP HE3 H 2.831 -1.115 -1.520 1.00 . A A . 4 TRP HE3 1 1 15 2159 1 1 4 TRP HH2 H 6.358 -2.901 -0.286 1.00 . A A . 4 TRP HH2 1 1 15 2160 1 1 4 TRP HZ2 H 7.162 -0.837 0.592 1.00 . A A . 4 TRP HZ2 1 1 15 2161 1 1 4 TRP HZ3 H 4.223 -3.035 -1.327 1.00 . A A . 4 TRP HZ3 1 1 15 2162 1 1 4 TRP N N 1.609 2.660 1.200 1.00 . A A . 4 TRP N 1 1 15 2163 1 1 4 TRP NE1 N 5.656 1.517 0.448 1.00 . A A . 4 TRP NE1 1 1 15 2164 1 1 4 TRP O O -0.183 -0.053 -0.053 1.00 . A A . 4 TRP O 1 1 15 2165 1 1 5 ALA C C 0.092 -1.706 2.212 1.00 . A A . 5 ALA C 1 1 15 2166 1 1 5 ALA CA C 1.478 -1.533 1.599 1.00 . A A . 5 ALA CA 1 1 15 2167 1 1 5 ALA CB C 2.551 -1.960 2.589 1.00 . A A . 5 ALA CB 1 1 15 2168 1 1 5 ALA H H 2.513 0.329 1.497 1.00 . A A . 5 ALA H 1 1 15 2169 1 1 5 ALA HA H 1.542 -2.122 0.794 1.00 . A A . 5 ALA HA 1 1 15 2170 1 1 5 ALA HB1 H 3.449 -1.888 2.155 1.00 . A A . 5 ALA HB1 1 1 15 2171 1 1 5 ALA HB2 H 2.519 -1.362 3.390 1.00 . A A . 5 ALA HB2 1 1 15 2172 1 1 5 ALA HB3 H 2.393 -2.906 2.872 1.00 . A A . 5 ALA HB3 1 1 15 2173 1 1 5 ALA N N 1.698 -0.155 1.178 1.00 . A A . 5 ALA N 1 1 15 2174 1 1 5 ALA O O -0.494 -2.786 2.154 1.00 . A A . 5 ALA O 1 1 15 2175 1 1 6 VAL C C -2.792 -1.221 2.467 1.00 . A A . 6 VAL C 1 1 15 2176 1 1 6 VAL CA C -1.747 -0.663 3.424 1.00 . A A . 6 VAL CA 1 1 15 2177 1 1 6 VAL CB C -2.181 0.738 3.885 1.00 . A A . 6 VAL CB 1 1 15 2178 1 1 6 VAL CG1 C -1.230 1.273 4.946 1.00 . A A . 6 VAL CG1 1 1 15 2179 1 1 6 VAL CG2 C -2.259 1.689 2.700 1.00 . A A . 6 VAL CG2 1 1 15 2180 1 1 6 VAL H H 0.100 0.218 2.815 1.00 . A A . 6 VAL H 1 1 15 2181 1 1 6 VAL HA H -1.697 -1.277 4.212 1.00 . A A . 6 VAL HA 1 1 15 2182 1 1 6 VAL HB H -3.084 0.653 4.305 1.00 . A A . 6 VAL HB 1 1 15 2183 1 1 6 VAL HG11 H -0.305 1.335 4.572 1.00 . A A . 6 VAL HG11 1 1 15 2184 1 1 6 VAL HG12 H -1.538 2.183 5.224 1.00 . A A . 6 VAL HG12 1 1 15 2185 1 1 6 VAL HG13 H -1.229 0.664 5.739 1.00 . A A . 6 VAL HG13 1 1 15 2186 1 1 6 VAL HG21 H -2.926 1.347 2.038 1.00 . A A . 6 VAL HG21 1 1 15 2187 1 1 6 VAL HG22 H -2.542 2.592 3.023 1.00 . A A . 6 VAL HG22 1 1 15 2188 1 1 6 VAL HG23 H -1.362 1.758 2.264 1.00 . A A . 6 VAL HG23 1 1 15 2189 1 1 6 VAL N N -0.427 -0.632 2.800 1.00 . A A . 6 VAL N 1 1 15 2190 1 1 6 VAL O O -3.772 -1.832 2.890 1.00 . A A . 6 VAL O 1 1 15 2191 1 1 7 GLY C C -2.860 -2.434 -0.819 1.00 . A A . 7 GLY C 1 1 15 2192 1 1 7 GLY CA C -3.512 -1.492 0.175 1.00 . A A . 7 GLY CA 1 1 15 2193 1 1 7 GLY H H -1.763 -0.503 0.884 1.00 . A A . 7 GLY H 1 1 15 2194 1 1 7 GLY HA2 H -4.253 -1.977 0.639 1.00 . A A . 7 GLY HA2 1 1 15 2195 1 1 7 GLY HA3 H -3.886 -0.709 -0.322 1.00 . A A . 7 GLY HA3 1 1 15 2196 1 1 7 GLY N N -2.578 -1.006 1.173 1.00 . A A . 7 GLY N 1 1 15 2197 1 1 7 GLY O O -3.508 -3.342 -1.341 1.00 . A A . 7 GLY O 1 1 15 2198 1 1 8 HIS C C -0.460 -4.388 -1.380 1.00 . A A . 8 HIS C 1 1 15 2199 1 1 8 HIS CA C -0.836 -3.055 -2.020 1.00 . A A . 8 HIS CA 1 1 15 2200 1 1 8 HIS CB C 0.422 -2.331 -2.499 1.00 . A A . 8 HIS CB 1 1 15 2201 1 1 8 HIS CD2 C -0.561 -1.539 -4.768 1.00 . A A . 8 HIS CD2 1 1 15 2202 1 1 8 HIS CE1 C 1.212 -1.886 -6.001 1.00 . A A . 8 HIS CE1 1 1 15 2203 1 1 8 HIS CG C 0.428 -2.034 -3.973 1.00 . A A . 8 HIS CG 1 1 15 2204 1 1 8 HIS H H -1.103 -1.466 -0.623 1.00 . A A . 8 HIS H 1 1 15 2205 1 1 8 HIS HA H -1.430 -3.243 -2.802 1.00 . A A . 8 HIS HA 1 1 15 2206 1 1 8 HIS HB2 H 0.497 -1.465 -2.004 1.00 . A A . 8 HIS HB2 1 1 15 2207 1 1 8 HIS HB3 H 1.215 -2.903 -2.291 1.00 . A A . 8 HIS HB3 1 1 15 2208 1 1 8 HIS HD2 H -1.485 -1.286 -4.480 1.00 . A A . 8 HIS HD2 1 1 15 2209 1 1 8 HIS HE1 H 1.825 -1.933 -6.790 1.00 . A A . 8 HIS HE1 1 1 15 2210 1 1 8 HIS HE2 H -0.511 -1.127 -6.874 1.00 . A A . 8 HIS HE2 1 1 15 2211 1 1 8 HIS N N -1.575 -2.219 -1.081 1.00 . A A . 8 HIS N 1 1 15 2212 1 1 8 HIS ND1 N 1.541 -2.247 -4.769 1.00 . A A . 8 HIS ND1 1 1 15 2213 1 1 8 HIS NE2 N -0.048 -1.451 -6.049 1.00 . A A . 8 HIS NE2 1 1 15 2214 1 1 8 HIS O O -0.162 -5.361 -2.074 1.00 . A A . 8 HIS O 1 1 15 2215 1 1 9 LEU C C -1.281 -6.067 1.590 1.00 . A A . 9 LEU C 1 1 15 2216 1 1 9 LEU CA C -0.131 -5.638 0.683 1.00 . A A . 9 LEU CA 1 1 15 2217 1 1 9 LEU CB C 1.133 -5.416 1.514 1.00 . A A . 9 LEU CB 1 1 15 2218 1 1 9 LEU CD1 C 3.631 -5.331 1.710 1.00 . A A . 9 LEU CD1 1 1 15 2219 1 1 9 LEU CD2 C 2.552 -7.060 0.261 1.00 . A A . 9 LEU CD2 1 1 15 2220 1 1 9 LEU CG C 2.461 -5.635 0.788 1.00 . A A . 9 LEU CG 1 1 15 2221 1 1 9 LEU H H -0.721 -3.601 0.456 1.00 . A A . 9 LEU H 1 1 15 2222 1 1 9 LEU HA H 0.034 -6.369 0.021 1.00 . A A . 9 LEU HA 1 1 15 2223 1 1 9 LEU HB2 H 1.119 -4.473 1.847 1.00 . A A . 9 LEU HB2 1 1 15 2224 1 1 9 LEU HB3 H 1.103 -6.044 2.291 1.00 . A A . 9 LEU HB3 1 1 15 2225 1 1 9 LEU HD11 H 3.580 -4.379 2.011 1.00 . A A . 9 LEU HD11 1 1 15 2226 1 1 9 LEU HD12 H 3.594 -5.935 2.506 1.00 . A A . 9 LEU HD12 1 1 15 2227 1 1 9 LEU HD13 H 4.489 -5.480 1.218 1.00 . A A . 9 LEU HD13 1 1 15 2228 1 1 9 LEU HD21 H 1.796 -7.222 -0.373 1.00 . A A . 9 LEU HD21 1 1 15 2229 1 1 9 LEU HD22 H 3.421 -7.202 -0.213 1.00 . A A . 9 LEU HD22 1 1 15 2230 1 1 9 LEU HD23 H 2.484 -7.696 1.030 1.00 . A A . 9 LEU HD23 1 1 15 2231 1 1 9 LEU HG H 2.503 -5.030 -0.007 1.00 . A A . 9 LEU HG 1 1 15 2232 1 1 9 LEU N N -0.472 -4.425 -0.052 1.00 . A A . 9 LEU N 1 1 15 2233 1 1 9 LEU O O -1.988 -7.031 1.299 1.00 . A A . 9 LEU O 1 1 15 2234 1 1 10 MET C C -3.806 -4.897 3.275 1.00 . A A . 10 MET C 1 1 15 2235 1 1 10 MET CA C -2.528 -5.646 3.637 1.00 . A A . 10 MET CA 1 1 15 2236 1 1 10 MET CB C -2.095 -5.282 5.058 1.00 . A A . 10 MET CB 1 1 15 2237 1 1 10 MET CE C 0.732 -3.477 5.856 1.00 . A A . 10 MET CE 1 1 15 2238 1 1 10 MET CG C -1.962 -3.786 5.289 1.00 . A A . 10 MET CG 1 1 15 2239 1 1 10 MET H H -0.853 -4.570 2.872 1.00 . A A . 10 MET H 1 1 15 2240 1 1 10 MET HA H -2.720 -6.625 3.577 1.00 . A A . 10 MET HA 1 1 15 2241 1 1 10 MET HB2 H -2.774 -5.641 5.698 1.00 . A A . 10 MET HB2 1 1 15 2242 1 1 10 MET HB3 H -1.209 -5.709 5.238 1.00 . A A . 10 MET HB3 1 1 15 2243 1 1 10 MET HE1 H 0.863 -4.397 5.486 1.00 . A A . 10 MET HE1 1 1 15 2244 1 1 10 MET HE2 H 0.760 -2.811 5.110 1.00 . A A . 10 MET HE2 1 1 15 2245 1 1 10 MET HE3 H 1.460 -3.274 6.511 1.00 . A A . 10 MET HE3 1 1 15 2246 1 1 10 MET HG2 H -1.602 -3.370 4.454 1.00 . A A . 10 MET HG2 1 1 15 2247 1 1 10 MET HG3 H -2.871 -3.416 5.481 1.00 . A A . 10 MET HG3 1 1 15 2248 1 1 10 MET N N -1.462 -5.342 2.690 1.00 . A A . 10 MET N 1 1 15 2249 1 1 10 MET O O -3.936 -4.365 2.172 1.00 . A A . 10 MET O 1 1 15 2250 1 1 10 MET SD S -0.864 -3.389 6.663 1.00 . A A . 10 MET SD 1 1 16 2251 1 1 1 GLY C C -1.428 9.611 3.873 1.00 . A A . 1 GLY C 1 1 16 2252 1 1 1 GLY CA C -1.550 10.920 3.118 1.00 . A A . 1 GLY CA 1 1 16 2253 1 1 1 GLY H1 H -2.342 12.003 4.626 1.00 . A A . 1 GLY H1 1 1 16 2254 1 1 1 GLY H2 H -2.611 12.637 3.146 1.00 . A A . 1 GLY H2 1 1 16 2255 1 1 1 GLY H3 H -3.456 11.330 3.640 1.00 . A A . 1 GLY H3 1 1 16 2256 1 1 1 GLY HA2 H -1.784 10.721 2.166 1.00 . A A . 1 GLY HA2 1 1 16 2257 1 1 1 GLY HA3 H -0.670 11.394 3.152 1.00 . A A . 1 GLY HA3 1 1 16 2258 1 1 1 GLY N N -2.569 11.790 3.676 1.00 . A A . 1 GLY N 1 1 16 2259 1 1 1 GLY O O -1.661 9.558 5.079 1.00 . A A . 1 GLY O 1 1 16 2260 1 1 2 ASN C C 0.169 6.426 3.059 1.00 . A A . 2 ASN C 1 1 16 2261 1 1 2 ASN CA C -0.912 7.234 3.769 1.00 . A A . 2 ASN CA 1 1 16 2262 1 1 2 ASN CB C -2.241 6.476 3.729 1.00 . A A . 2 ASN CB 1 1 16 2263 1 1 2 ASN CG C -3.086 6.726 4.963 1.00 . A A . 2 ASN CG 1 1 16 2264 1 1 2 ASN H H -0.885 8.657 2.182 1.00 . A A . 2 ASN H 1 1 16 2265 1 1 2 ASN HA H -0.594 7.383 4.705 1.00 . A A . 2 ASN HA 1 1 16 2266 1 1 2 ASN HB2 H -2.754 6.770 2.923 1.00 . A A . 2 ASN HB2 1 1 16 2267 1 1 2 ASN HB3 H -2.050 5.497 3.663 1.00 . A A . 2 ASN HB3 1 1 16 2268 1 1 2 ASN HD21 H -2.534 4.945 5.748 1.00 . A A . 2 ASN HD21 1 1 16 2269 1 1 2 ASN HD22 H -3.616 5.881 6.724 1.00 . A A . 2 ASN HD22 1 1 16 2270 1 1 2 ASN N N -1.062 8.550 3.160 1.00 . A A . 2 ASN N 1 1 16 2271 1 1 2 ASN ND2 N -3.078 5.772 5.888 1.00 . A A . 2 ASN ND2 1 1 16 2272 1 1 2 ASN O O 0.781 6.894 2.099 1.00 . A A . 2 ASN O 1 1 16 2273 1 1 2 ASN OD1 O -3.737 7.763 5.084 1.00 . A A . 2 ASN OD1 1 1 16 2274 1 1 3 HIS C C 0.857 3.629 1.708 1.00 . A A . 3 HIS C 1 1 16 2275 1 1 3 HIS CA C 1.406 4.331 2.947 1.00 . A A . 3 HIS CA 1 1 16 2276 1 1 3 HIS CB C 1.874 3.293 3.969 1.00 . A A . 3 HIS CB 1 1 16 2277 1 1 3 HIS CD2 C 4.217 2.276 3.505 1.00 . A A . 3 HIS CD2 1 1 16 2278 1 1 3 HIS CE1 C 5.398 3.686 4.690 1.00 . A A . 3 HIS CE1 1 1 16 2279 1 1 3 HIS CG C 3.370 3.181 4.069 1.00 . A A . 3 HIS CG 1 1 16 2280 1 1 3 HIS H H -0.131 4.881 4.320 1.00 . A A . 3 HIS H 1 1 16 2281 1 1 3 HIS HA H 2.181 4.896 2.665 1.00 . A A . 3 HIS HA 1 1 16 2282 1 1 3 HIS HB2 H 1.516 3.548 4.867 1.00 . A A . 3 HIS HB2 1 1 16 2283 1 1 3 HIS HB3 H 1.508 2.400 3.706 1.00 . A A . 3 HIS HB3 1 1 16 2284 1 1 3 HIS HD2 H 3.962 1.513 2.911 1.00 . A A . 3 HIS HD2 1 1 16 2285 1 1 3 HIS HE1 H 6.174 4.144 5.123 1.00 . A A . 3 HIS HE1 1 1 16 2286 1 1 3 HIS HE2 H 6.353 2.149 3.673 1.00 . A A . 3 HIS HE2 1 1 16 2287 1 1 3 HIS N N 0.399 5.206 3.537 1.00 . A A . 3 HIS N 1 1 16 2288 1 1 3 HIS ND1 N 4.133 4.064 4.814 1.00 . A A . 3 HIS ND1 1 1 16 2289 1 1 3 HIS NE2 N 5.497 2.610 3.908 1.00 . A A . 3 HIS NE2 1 1 16 2290 1 1 3 HIS O O -0.224 3.963 1.223 1.00 . A A . 3 HIS O 1 1 16 2291 1 1 4 TRP C C 0.847 0.472 0.380 1.00 . A A . 4 TRP C 1 1 16 2292 1 1 4 TRP CA C 1.198 1.912 0.020 1.00 . A A . 4 TRP CA 1 1 16 2293 1 1 4 TRP CB C 2.309 1.931 -1.032 1.00 . A A . 4 TRP CB 1 1 16 2294 1 1 4 TRP CD1 C 4.562 2.279 0.137 1.00 . A A . 4 TRP CD1 1 1 16 2295 1 1 4 TRP CD2 C 4.199 0.180 -0.553 1.00 . A A . 4 TRP CD2 1 1 16 2296 1 1 4 TRP CE2 C 5.462 0.236 0.068 1.00 . A A . 4 TRP CE2 1 1 16 2297 1 1 4 TRP CE3 C 3.754 -1.042 -1.067 1.00 . A A . 4 TRP CE3 1 1 16 2298 1 1 4 TRP CG C 3.640 1.497 -0.498 1.00 . A A . 4 TRP CG 1 1 16 2299 1 1 4 TRP CH2 C 5.822 -2.065 -0.324 1.00 . A A . 4 TRP CH2 1 1 16 2300 1 1 4 TRP CZ2 C 6.283 -0.883 0.187 1.00 . A A . 4 TRP CZ2 1 1 16 2301 1 1 4 TRP CZ3 C 4.571 -2.150 -0.947 1.00 . A A . 4 TRP CZ3 1 1 16 2302 1 1 4 TRP H H 2.478 2.435 1.643 1.00 . A A . 4 TRP H 1 1 16 2303 1 1 4 TRP HA H 0.367 2.343 -0.331 1.00 . A A . 4 TRP HA 1 1 16 2304 1 1 4 TRP HB2 H 2.053 1.316 -1.778 1.00 . A A . 4 TRP HB2 1 1 16 2305 1 1 4 TRP HB3 H 2.399 2.863 -1.384 1.00 . A A . 4 TRP HB3 1 1 16 2306 1 1 4 TRP HD1 H 4.454 3.255 0.325 1.00 . A A . 4 TRP HD1 1 1 16 2307 1 1 4 TRP HE1 H 6.473 1.867 0.954 1.00 . A A . 4 TRP HE1 1 1 16 2308 1 1 4 TRP HE3 H 2.862 -1.114 -1.513 1.00 . A A . 4 TRP HE3 1 1 16 2309 1 1 4 TRP HH2 H 6.388 -2.886 -0.253 1.00 . A A . 4 TRP HH2 1 1 16 2310 1 1 4 TRP HZ2 H 7.177 -0.820 0.631 1.00 . A A . 4 TRP HZ2 1 1 16 2311 1 1 4 TRP HZ3 H 4.262 -3.028 -1.312 1.00 . A A . 4 TRP HZ3 1 1 16 2312 1 1 4 TRP N N 1.609 2.659 1.202 1.00 . A A . 4 TRP N 1 1 16 2313 1 1 4 TRP NE1 N 5.660 1.528 0.480 1.00 . A A . 4 TRP NE1 1 1 16 2314 1 1 4 TRP O O -0.178 -0.053 -0.055 1.00 . A A . 4 TRP O 1 1 16 2315 1 1 5 ALA C C 0.094 -1.707 2.212 1.00 . A A . 5 ALA C 1 1 16 2316 1 1 5 ALA CA C 1.479 -1.537 1.598 1.00 . A A . 5 ALA CA 1 1 16 2317 1 1 5 ALA CB C 2.553 -1.967 2.585 1.00 . A A . 5 ALA CB 1 1 16 2318 1 1 5 ALA H H 2.516 0.323 1.499 1.00 . A A . 5 ALA H 1 1 16 2319 1 1 5 ALA HA H 1.540 -2.126 0.792 1.00 . A A . 5 ALA HA 1 1 16 2320 1 1 5 ALA HB1 H 2.524 -1.370 3.387 1.00 . A A . 5 ALA HB1 1 1 16 2321 1 1 5 ALA HB2 H 2.393 -2.913 2.868 1.00 . A A . 5 ALA HB2 1 1 16 2322 1 1 5 ALA HB3 H 3.450 -1.896 2.149 1.00 . A A . 5 ALA HB3 1 1 16 2323 1 1 5 ALA N N 1.701 -0.159 1.178 1.00 . A A . 5 ALA N 1 1 16 2324 1 1 5 ALA O O -0.494 -2.787 2.155 1.00 . A A . 5 ALA O 1 1 16 2325 1 1 6 VAL C C -2.789 -1.217 2.468 1.00 . A A . 6 VAL C 1 1 16 2326 1 1 6 VAL CA C -1.743 -0.662 3.425 1.00 . A A . 6 VAL CA 1 1 16 2327 1 1 6 VAL CB C -2.174 0.740 3.888 1.00 . A A . 6 VAL CB 1 1 16 2328 1 1 6 VAL CG1 C -1.221 1.271 4.948 1.00 . A A . 6 VAL CG1 1 1 16 2329 1 1 6 VAL CG2 C -2.250 1.692 2.704 1.00 . A A . 6 VAL CG2 1 1 16 2330 1 1 6 VAL H H 0.103 0.218 2.814 1.00 . A A . 6 VAL H 1 1 16 2331 1 1 6 VAL HA H -1.693 -1.277 4.212 1.00 . A A . 6 VAL HA 1 1 16 2332 1 1 6 VAL HB H -3.077 0.656 4.309 1.00 . A A . 6 VAL HB 1 1 16 2333 1 1 6 VAL HG11 H -0.296 1.331 4.573 1.00 . A A . 6 VAL HG11 1 1 16 2334 1 1 6 VAL HG12 H -1.527 2.181 5.228 1.00 . A A . 6 VAL HG12 1 1 16 2335 1 1 6 VAL HG13 H -1.221 0.661 5.741 1.00 . A A . 6 VAL HG13 1 1 16 2336 1 1 6 VAL HG21 H -2.918 1.353 2.042 1.00 . A A . 6 VAL HG21 1 1 16 2337 1 1 6 VAL HG22 H -2.531 2.595 3.028 1.00 . A A . 6 VAL HG22 1 1 16 2338 1 1 6 VAL HG23 H -1.353 1.759 2.268 1.00 . A A . 6 VAL HG23 1 1 16 2339 1 1 6 VAL N N -0.424 -0.632 2.800 1.00 . A A . 6 VAL N 1 1 16 2340 1 1 6 VAL O O -3.772 -1.826 2.892 1.00 . A A . 6 VAL O 1 1 16 2341 1 1 7 GLY C C -2.862 -2.430 -0.818 1.00 . A A . 7 GLY C 1 1 16 2342 1 1 7 GLY CA C -3.511 -1.488 0.176 1.00 . A A . 7 GLY CA 1 1 16 2343 1 1 7 GLY H H -1.760 -0.503 0.883 1.00 . A A . 7 GLY H 1 1 16 2344 1 1 7 GLY HA2 H -4.253 -1.972 0.640 1.00 . A A . 7 GLY HA2 1 1 16 2345 1 1 7 GLY HA3 H -3.884 -0.705 -0.321 1.00 . A A . 7 GLY HA3 1 1 16 2346 1 1 7 GLY N N -2.576 -1.004 1.173 1.00 . A A . 7 GLY N 1 1 16 2347 1 1 7 GLY O O -3.512 -3.336 -1.341 1.00 . A A . 7 GLY O 1 1 16 2348 1 1 8 HIS C C -0.463 -4.387 -1.381 1.00 . A A . 8 HIS C 1 1 16 2349 1 1 8 HIS CA C -0.839 -3.054 -2.021 1.00 . A A . 8 HIS CA 1 1 16 2350 1 1 8 HIS CB C 0.418 -2.332 -2.501 1.00 . A A . 8 HIS CB 1 1 16 2351 1 1 8 HIS CD2 C -0.579 -1.558 -4.769 1.00 . A A . 8 HIS CD2 1 1 16 2352 1 1 8 HIS CE1 C 1.208 -1.852 -5.999 1.00 . A A . 8 HIS CE1 1 1 16 2353 1 1 8 HIS CG C 0.421 -2.029 -3.973 1.00 . A A . 8 HIS CG 1 1 16 2354 1 1 8 HIS H H -1.103 -1.465 -0.623 1.00 . A A . 8 HIS H 1 1 16 2355 1 1 8 HIS HA H -1.434 -3.242 -2.802 1.00 . A A . 8 HIS HA 1 1 16 2356 1 1 8 HIS HB2 H 0.497 -1.468 -2.003 1.00 . A A . 8 HIS HB2 1 1 16 2357 1 1 8 HIS HB3 H 1.210 -2.907 -2.298 1.00 . A A . 8 HIS HB3 1 1 16 2358 1 1 8 HIS HD2 H -1.510 -1.332 -4.483 1.00 . A A . 8 HIS HD2 1 1 16 2359 1 1 8 HIS HE1 H 1.824 -1.879 -6.786 1.00 . A A . 8 HIS HE1 1 1 16 2360 1 1 8 HIS HE2 H -0.535 -1.136 -6.875 1.00 . A A . 8 HIS HE2 1 1 16 2361 1 1 8 HIS N N -1.576 -2.217 -1.081 1.00 . A A . 8 HIS N 1 1 16 2362 1 1 8 HIS ND1 N 1.542 -2.208 -4.767 1.00 . A A . 8 HIS ND1 1 1 16 2363 1 1 8 HIS NE2 N -0.065 -1.451 -6.050 1.00 . A A . 8 HIS NE2 1 1 16 2364 1 1 8 HIS O O -0.172 -5.362 -2.076 1.00 . A A . 8 HIS O 1 1 16 2365 1 1 9 LEU C C -1.281 -6.067 1.588 1.00 . A A . 9 LEU C 1 1 16 2366 1 1 9 LEU CA C -0.132 -5.638 0.681 1.00 . A A . 9 LEU CA 1 1 16 2367 1 1 9 LEU CB C 1.133 -5.416 1.513 1.00 . A A . 9 LEU CB 1 1 16 2368 1 1 9 LEU CD1 C 3.631 -5.334 1.712 1.00 . A A . 9 LEU CD1 1 1 16 2369 1 1 9 LEU CD2 C 2.550 -7.064 0.263 1.00 . A A . 9 LEU CD2 1 1 16 2370 1 1 9 LEU CG C 2.461 -5.638 0.788 1.00 . A A . 9 LEU CG 1 1 16 2371 1 1 9 LEU H H -0.718 -3.599 0.456 1.00 . A A . 9 LEU H 1 1 16 2372 1 1 9 LEU HA H 0.032 -6.369 0.018 1.00 . A A . 9 LEU HA 1 1 16 2373 1 1 9 LEU HB2 H 1.120 -4.473 1.844 1.00 . A A . 9 LEU HB2 1 1 16 2374 1 1 9 LEU HB3 H 1.102 -6.043 2.291 1.00 . A A . 9 LEU HB3 1 1 16 2375 1 1 9 LEU HD11 H 3.581 -4.381 2.012 1.00 . A A . 9 LEU HD11 1 1 16 2376 1 1 9 LEU HD12 H 3.592 -5.937 2.509 1.00 . A A . 9 LEU HD12 1 1 16 2377 1 1 9 LEU HD13 H 4.489 -5.484 1.221 1.00 . A A . 9 LEU HD13 1 1 16 2378 1 1 9 LEU HD21 H 1.794 -7.225 -0.371 1.00 . A A . 9 LEU HD21 1 1 16 2379 1 1 9 LEU HD22 H 3.419 -7.208 -0.211 1.00 . A A . 9 LEU HD22 1 1 16 2380 1 1 9 LEU HD23 H 2.481 -7.699 1.032 1.00 . A A . 9 LEU HD23 1 1 16 2381 1 1 9 LEU HG H 2.505 -5.034 -0.008 1.00 . A A . 9 LEU HG 1 1 16 2382 1 1 9 LEU N N -0.472 -4.424 -0.053 1.00 . A A . 9 LEU N 1 1 16 2383 1 1 9 LEU O O -1.939 -7.077 1.336 1.00 . A A . 9 LEU O 1 1 16 2384 1 1 10 MET C C -3.715 -4.565 3.469 1.00 . A A . 10 MET C 1 1 16 2385 1 1 10 MET CA C -2.592 -5.591 3.582 1.00 . A A . 10 MET CA 1 1 16 2386 1 1 10 MET CB C -2.051 -5.618 5.013 1.00 . A A . 10 MET CB 1 1 16 2387 1 1 10 MET CE C 0.731 -2.598 5.774 1.00 . A A . 10 MET CE 1 1 16 2388 1 1 10 MET CG C -1.432 -4.301 5.453 1.00 . A A . 10 MET CG 1 1 16 2389 1 1 10 MET H H -0.947 -4.485 2.790 1.00 . A A . 10 MET H 1 1 16 2390 1 1 10 MET HA H -2.970 -6.485 3.342 1.00 . A A . 10 MET HA 1 1 16 2391 1 1 10 MET HB2 H -2.805 -5.835 5.633 1.00 . A A . 10 MET HB2 1 1 16 2392 1 1 10 MET HB3 H -1.353 -6.331 5.075 1.00 . A A . 10 MET HB3 1 1 16 2393 1 1 10 MET HE1 H 0.224 -1.933 5.226 1.00 . A A . 10 MET HE1 1 1 16 2394 1 1 10 MET HE2 H 0.459 -2.516 6.733 1.00 . A A . 10 MET HE2 1 1 16 2395 1 1 10 MET HE3 H 1.712 -2.421 5.689 1.00 . A A . 10 MET HE3 1 1 16 2396 1 1 10 MET HG2 H -1.858 -3.563 4.930 1.00 . A A . 10 MET HG2 1 1 16 2397 1 1 10 MET HG3 H -1.623 -4.173 6.426 1.00 . A A . 10 MET HG3 1 1 16 2398 1 1 10 MET N N -1.518 -5.292 2.640 1.00 . A A . 10 MET N 1 1 16 2399 1 1 10 MET O O -4.894 -4.920 3.435 1.00 . A A . 10 MET O 1 1 16 2400 1 1 10 MET SD S 0.351 -4.250 5.194 1.00 . A A . 10 MET SD 1 1 17 2401 1 1 1 GLY C C -0.142 9.508 3.410 1.00 . A A . 1 GLY C 1 1 17 2402 1 1 1 GLY CA C -0.400 10.844 2.742 1.00 . A A . 1 GLY CA 1 1 17 2403 1 1 1 GLY H1 H -2.227 11.169 3.537 1.00 . A A . 1 GLY H1 1 1 17 2404 1 1 1 GLY H2 H -1.934 12.030 2.181 1.00 . A A . 1 GLY H2 1 1 17 2405 1 1 1 GLY H3 H -2.262 10.433 2.080 1.00 . A A . 1 GLY H3 1 1 17 2406 1 1 1 GLY HA2 H 0.000 10.828 1.826 1.00 . A A . 1 GLY HA2 1 1 17 2407 1 1 1 GLY HA3 H 0.036 11.563 3.283 1.00 . A A . 1 GLY HA3 1 1 17 2408 1 1 1 GLY N N -1.816 11.142 2.626 1.00 . A A . 1 GLY N 1 1 17 2409 1 1 1 GLY O O 0.859 9.339 4.106 1.00 . A A . 1 GLY O 1 1 17 2410 1 1 2 ASN C C 0.176 6.429 3.083 1.00 . A A . 2 ASN C 1 1 17 2411 1 1 2 ASN CA C -0.911 7.231 3.790 1.00 . A A . 2 ASN CA 1 1 17 2412 1 1 2 ASN CB C -2.244 6.480 3.717 1.00 . A A . 2 ASN CB 1 1 17 2413 1 1 2 ASN CG C -3.103 6.708 4.945 1.00 . A A . 2 ASN CG 1 1 17 2414 1 1 2 ASN H H -1.838 8.757 2.623 1.00 . A A . 2 ASN H 1 1 17 2415 1 1 2 ASN HA H -0.606 7.363 4.733 1.00 . A A . 2 ASN HA 1 1 17 2416 1 1 2 ASN HB2 H -2.745 6.794 2.911 1.00 . A A . 2 ASN HB2 1 1 17 2417 1 1 2 ASN HB3 H -2.057 5.501 3.633 1.00 . A A . 2 ASN HB3 1 1 17 2418 1 1 2 ASN HD21 H -2.425 4.998 5.785 1.00 . A A . 2 ASN HD21 1 1 17 2419 1 1 2 ASN HD22 H -3.572 5.885 6.732 1.00 . A A . 2 ASN HD22 1 1 17 2420 1 1 2 ASN N N -1.046 8.558 3.200 1.00 . A A . 2 ASN N 1 1 17 2421 1 1 2 ASN ND2 N -3.027 5.788 5.899 1.00 . A A . 2 ASN ND2 1 1 17 2422 1 1 2 ASN O O 0.808 6.913 2.143 1.00 . A A . 2 ASN O 1 1 17 2423 1 1 2 ASN OD1 O -3.828 7.699 5.035 1.00 . A A . 2 ASN OD1 1 1 17 2424 1 1 3 HIS C C 0.855 3.626 1.710 1.00 . A A . 3 HIS C 1 1 17 2425 1 1 3 HIS CA C 1.400 4.328 2.950 1.00 . A A . 3 HIS CA 1 1 17 2426 1 1 3 HIS CB C 1.871 3.291 3.971 1.00 . A A . 3 HIS CB 1 1 17 2427 1 1 3 HIS CD2 C 4.243 2.320 3.555 1.00 . A A . 3 HIS CD2 1 1 17 2428 1 1 3 HIS CE1 C 5.372 3.762 4.753 1.00 . A A . 3 HIS CE1 1 1 17 2429 1 1 3 HIS CG C 3.367 3.211 4.099 1.00 . A A . 3 HIS CG 1 1 17 2430 1 1 3 HIS H H -0.157 4.861 4.307 1.00 . A A . 3 HIS H 1 1 17 2431 1 1 3 HIS HA H 2.173 4.896 2.670 1.00 . A A . 3 HIS HA 1 1 17 2432 1 1 3 HIS HB2 H 1.491 3.529 4.865 1.00 . A A . 3 HIS HB2 1 1 17 2433 1 1 3 HIS HB3 H 1.530 2.393 3.692 1.00 . A A . 3 HIS HB3 1 1 17 2434 1 1 3 HIS HD2 H 4.015 1.549 2.961 1.00 . A A . 3 HIS HD2 1 1 17 2435 1 1 3 HIS HE1 H 6.130 4.239 5.197 1.00 . A A . 3 HIS HE1 1 1 17 2436 1 1 3 HIS HE2 H 6.378 2.241 3.764 1.00 . A A . 3 HIS HE2 1 1 17 2437 1 1 3 HIS N N 0.389 5.198 3.540 1.00 . A A . 3 HIS N 1 1 17 2438 1 1 3 HIS ND1 N 4.098 4.114 4.853 1.00 . A A . 3 HIS ND1 1 1 17 2439 1 1 3 HIS NE2 N 5.508 2.684 3.980 1.00 . A A . 3 HIS NE2 1 1 17 2440 1 1 3 HIS O O -0.227 3.955 1.224 1.00 . A A . 3 HIS O 1 1 17 2441 1 1 4 TRP C C 0.852 0.473 0.378 1.00 . A A . 4 TRP C 1 1 17 2442 1 1 4 TRP CA C 1.206 1.912 0.019 1.00 . A A . 4 TRP CA 1 1 17 2443 1 1 4 TRP CB C 2.321 1.929 -1.028 1.00 . A A . 4 TRP CB 1 1 17 2444 1 1 4 TRP CD1 C 4.571 2.282 0.146 1.00 . A A . 4 TRP CD1 1 1 17 2445 1 1 4 TRP CD2 C 4.208 0.179 -0.534 1.00 . A A . 4 TRP CD2 1 1 17 2446 1 1 4 TRP CE2 C 5.468 0.237 0.090 1.00 . A A . 4 TRP CE2 1 1 17 2447 1 1 4 TRP CE3 C 3.763 -1.045 -1.043 1.00 . A A . 4 TRP CE3 1 1 17 2448 1 1 4 TRP CG C 3.650 1.497 -0.488 1.00 . A A . 4 TRP CG 1 1 17 2449 1 1 4 TRP CH2 C 5.828 -2.067 -0.288 1.00 . A A . 4 TRP CH2 1 1 17 2450 1 1 4 TRP CZ2 C 6.288 -0.881 0.218 1.00 . A A . 4 TRP CZ2 1 1 17 2451 1 1 4 TRP CZ3 C 4.577 -2.154 -0.915 1.00 . A A . 4 TRP CZ3 1 1 17 2452 1 1 4 TRP H H 2.482 2.440 1.644 1.00 . A A . 4 TRP H 1 1 17 2453 1 1 4 TRP HA H 0.377 2.343 -0.337 1.00 . A A . 4 TRP HA 1 1 17 2454 1 1 4 TRP HB2 H 2.068 1.312 -1.773 1.00 . A A . 4 TRP HB2 1 1 17 2455 1 1 4 TRP HB3 H 2.412 2.860 -1.382 1.00 . A A . 4 TRP HB3 1 1 17 2456 1 1 4 TRP HD1 H 4.464 3.259 0.329 1.00 . A A . 4 TRP HD1 1 1 17 2457 1 1 4 TRP HE1 H 6.481 1.869 0.970 1.00 . A A . 4 TRP HE1 1 1 17 2458 1 1 4 TRP HE3 H 2.872 -1.117 -1.492 1.00 . A A . 4 TRP HE3 1 1 17 2459 1 1 4 TRP HH2 H 6.393 -2.888 -0.210 1.00 . A A . 4 TRP HH2 1 1 17 2460 1 1 4 TRP HZ2 H 7.180 -0.816 0.664 1.00 . A A . 4 TRP HZ2 1 1 17 2461 1 1 4 TRP HZ3 H 4.268 -3.034 -1.276 1.00 . A A . 4 TRP HZ3 1 1 17 2462 1 1 4 TRP N N 1.612 2.660 1.203 1.00 . A A . 4 TRP N 1 1 17 2463 1 1 4 TRP NE1 N 5.668 1.530 0.496 1.00 . A A . 4 TRP NE1 1 1 17 2464 1 1 4 TRP O O -0.172 -0.051 -0.058 1.00 . A A . 4 TRP O 1 1 17 2465 1 1 5 ALA C C 0.095 -1.704 2.211 1.00 . A A . 5 ALA C 1 1 17 2466 1 1 5 ALA CA C 1.480 -1.537 1.596 1.00 . A A . 5 ALA CA 1 1 17 2467 1 1 5 ALA CB C 2.554 -1.970 2.584 1.00 . A A . 5 ALA CB 1 1 17 2468 1 1 5 ALA H H 2.521 0.321 1.498 1.00 . A A . 5 ALA H 1 1 17 2469 1 1 5 ALA HA H 1.539 -2.126 0.790 1.00 . A A . 5 ALA HA 1 1 17 2470 1 1 5 ALA HB1 H 2.526 -1.373 3.386 1.00 . A A . 5 ALA HB1 1 1 17 2471 1 1 5 ALA HB2 H 2.392 -2.916 2.866 1.00 . A A . 5 ALA HB2 1 1 17 2472 1 1 5 ALA HB3 H 3.451 -1.901 2.148 1.00 . A A . 5 ALA HB3 1 1 17 2473 1 1 5 ALA N N 1.705 -0.160 1.177 1.00 . A A . 5 ALA N 1 1 17 2474 1 1 5 ALA O O -0.495 -2.785 2.155 1.00 . A A . 5 ALA O 1 1 17 2475 1 1 6 VAL C C -2.787 -1.213 2.468 1.00 . A A . 6 VAL C 1 1 17 2476 1 1 6 VAL CA C -1.740 -0.656 3.423 1.00 . A A . 6 VAL CA 1 1 17 2477 1 1 6 VAL CB C -2.170 0.747 3.883 1.00 . A A . 6 VAL CB 1 1 17 2478 1 1 6 VAL CG1 C -1.220 1.278 4.946 1.00 . A A . 6 VAL CG1 1 1 17 2479 1 1 6 VAL CG2 C -2.242 1.698 2.697 1.00 . A A . 6 VAL CG2 1 1 17 2480 1 1 6 VAL H H 0.108 0.220 2.812 1.00 . A A . 6 VAL H 1 1 17 2481 1 1 6 VAL HA H -1.691 -1.269 4.212 1.00 . A A . 6 VAL HA 1 1 17 2482 1 1 6 VAL HB H -3.075 0.665 4.301 1.00 . A A . 6 VAL HB 1 1 17 2483 1 1 6 VAL HG11 H -0.293 1.336 4.575 1.00 . A A . 6 VAL HG11 1 1 17 2484 1 1 6 VAL HG12 H -1.526 2.189 5.224 1.00 . A A . 6 VAL HG12 1 1 17 2485 1 1 6 VAL HG13 H -1.224 0.669 5.739 1.00 . A A . 6 VAL HG13 1 1 17 2486 1 1 6 VAL HG21 H -2.909 1.359 2.034 1.00 . A A . 6 VAL HG21 1 1 17 2487 1 1 6 VAL HG22 H -2.523 2.602 3.019 1.00 . A A . 6 VAL HG22 1 1 17 2488 1 1 6 VAL HG23 H -1.343 1.763 2.263 1.00 . A A . 6 VAL HG23 1 1 17 2489 1 1 6 VAL N N -0.421 -0.629 2.798 1.00 . A A . 6 VAL N 1 1 17 2490 1 1 6 VAL O O -3.769 -1.821 2.893 1.00 . A A . 6 VAL O 1 1 17 2491 1 1 7 GLY C C -2.863 -2.432 -0.815 1.00 . A A . 7 GLY C 1 1 17 2492 1 1 7 GLY CA C -3.511 -1.486 0.177 1.00 . A A . 7 GLY CA 1 1 17 2493 1 1 7 GLY H H -1.760 -0.499 0.882 1.00 . A A . 7 GLY H 1 1 17 2494 1 1 7 GLY HA2 H -4.253 -1.968 0.642 1.00 . A A . 7 GLY HA2 1 1 17 2495 1 1 7 GLY HA3 H -3.883 -0.704 -0.322 1.00 . A A . 7 GLY HA3 1 1 17 2496 1 1 7 GLY N N -2.575 -1.000 1.173 1.00 . A A . 7 GLY N 1 1 17 2497 1 1 7 GLY O O -3.512 -3.341 -1.332 1.00 . A A . 7 GLY O 1 1 17 2498 1 1 8 HIS C C -0.468 -4.390 -1.378 1.00 . A A . 8 HIS C 1 1 17 2499 1 1 8 HIS CA C -0.843 -3.058 -2.021 1.00 . A A . 8 HIS CA 1 1 17 2500 1 1 8 HIS CB C 0.415 -2.337 -2.505 1.00 . A A . 8 HIS CB 1 1 17 2501 1 1 8 HIS CD2 C -0.600 -1.626 -4.786 1.00 . A A . 8 HIS CD2 1 1 17 2502 1 1 8 HIS CE1 C 1.216 -1.820 -5.995 1.00 . A A . 8 HIS CE1 1 1 17 2503 1 1 8 HIS CG C 0.417 -2.037 -3.978 1.00 . A A . 8 HIS CG 1 1 17 2504 1 1 8 HIS H H -1.106 -1.461 -0.631 1.00 . A A . 8 HIS H 1 1 17 2505 1 1 8 HIS HA H -1.439 -3.248 -2.801 1.00 . A A . 8 HIS HA 1 1 17 2506 1 1 8 HIS HB2 H 0.495 -1.472 -2.009 1.00 . A A . 8 HIS HB2 1 1 17 2507 1 1 8 HIS HB3 H 1.207 -2.912 -2.301 1.00 . A A . 8 HIS HB3 1 1 17 2508 1 1 8 HIS HD2 H -1.546 -1.453 -4.511 1.00 . A A . 8 HIS HD2 1 1 17 2509 1 1 8 HIS HE1 H 1.842 -1.813 -6.775 1.00 . A A . 8 HIS HE1 1 1 17 2510 1 1 8 HIS HE2 H -0.556 -1.208 -6.892 1.00 . A A . 8 HIS HE2 1 1 17 2511 1 1 8 HIS N N -1.579 -2.217 -1.083 1.00 . A A . 8 HIS N 1 1 17 2512 1 1 8 HIS ND1 N 1.555 -2.154 -4.758 1.00 . A A . 8 HIS ND1 1 1 17 2513 1 1 8 HIS NE2 N -0.078 -1.493 -6.061 1.00 . A A . 8 HIS NE2 1 1 17 2514 1 1 8 HIS O O -0.175 -5.365 -2.072 1.00 . A A . 8 HIS O 1 1 17 2515 1 1 9 LEU C C -1.284 -6.060 1.596 1.00 . A A . 9 LEU C 1 1 17 2516 1 1 9 LEU CA C -0.136 -5.635 0.687 1.00 . A A . 9 LEU CA 1 1 17 2517 1 1 9 LEU CB C 1.131 -5.414 1.515 1.00 . A A . 9 LEU CB 1 1 17 2518 1 1 9 LEU CD1 C 3.629 -5.333 1.707 1.00 . A A . 9 LEU CD1 1 1 17 2519 1 1 9 LEU CD2 C 2.543 -7.065 0.265 1.00 . A A . 9 LEU CD2 1 1 17 2520 1 1 9 LEU CG C 2.457 -5.638 0.787 1.00 . A A . 9 LEU CG 1 1 17 2521 1 1 9 LEU H H -0.724 -3.597 0.457 1.00 . A A . 9 LEU H 1 1 17 2522 1 1 9 LEU HA H 0.027 -6.368 0.026 1.00 . A A . 9 LEU HA 1 1 17 2523 1 1 9 LEU HB2 H 1.120 -4.470 1.846 1.00 . A A . 9 LEU HB2 1 1 17 2524 1 1 9 LEU HB3 H 1.101 -6.040 2.294 1.00 . A A . 9 LEU HB3 1 1 17 2525 1 1 9 LEU HD11 H 3.580 -4.380 2.005 1.00 . A A . 9 LEU HD11 1 1 17 2526 1 1 9 LEU HD12 H 3.592 -5.934 2.505 1.00 . A A . 9 LEU HD12 1 1 17 2527 1 1 9 LEU HD13 H 4.486 -5.485 1.214 1.00 . A A . 9 LEU HD13 1 1 17 2528 1 1 9 LEU HD21 H 1.785 -7.227 -0.367 1.00 . A A . 9 LEU HD21 1 1 17 2529 1 1 9 LEU HD22 H 3.410 -7.210 -0.211 1.00 . A A . 9 LEU HD22 1 1 17 2530 1 1 9 LEU HD23 H 2.476 -7.698 1.036 1.00 . A A . 9 LEU HD23 1 1 17 2531 1 1 9 LEU HG H 2.499 -5.036 -0.010 1.00 . A A . 9 LEU HG 1 1 17 2532 1 1 9 LEU N N -0.477 -4.423 -0.050 1.00 . A A . 9 LEU N 1 1 17 2533 1 1 9 LEU O O -1.954 -7.060 1.341 1.00 . A A . 9 LEU O 1 1 17 2534 1 1 10 MET C C -3.723 -4.590 3.456 1.00 . A A . 10 MET C 1 1 17 2535 1 1 10 MET CA C -2.578 -5.586 3.603 1.00 . A A . 10 MET CA 1 1 17 2536 1 1 10 MET CB C -2.043 -5.558 5.036 1.00 . A A . 10 MET CB 1 1 17 2537 1 1 10 MET CE C 1.008 -3.533 6.177 1.00 . A A . 10 MET CE 1 1 17 2538 1 1 10 MET CG C -1.600 -4.178 5.493 1.00 . A A . 10 MET CG 1 1 17 2539 1 1 10 MET H H -0.927 -4.491 2.811 1.00 . A A . 10 MET H 1 1 17 2540 1 1 10 MET HA H -2.934 -6.495 3.388 1.00 . A A . 10 MET HA 1 1 17 2541 1 1 10 MET HB2 H -2.765 -5.877 5.650 1.00 . A A . 10 MET HB2 1 1 17 2542 1 1 10 MET HB3 H -1.259 -6.176 5.094 1.00 . A A . 10 MET HB3 1 1 17 2543 1 1 10 MET HE1 H 1.296 -4.096 5.402 1.00 . A A . 10 MET HE1 1 1 17 2544 1 1 10 MET HE2 H 0.808 -2.606 5.860 1.00 . A A . 10 MET HE2 1 1 17 2545 1 1 10 MET HE3 H 1.741 -3.502 6.857 1.00 . A A . 10 MET HE3 1 1 17 2546 1 1 10 MET HG2 H -1.142 -3.725 4.728 1.00 . A A . 10 MET HG2 1 1 17 2547 1 1 10 MET HG3 H -2.413 -3.656 5.751 1.00 . A A . 10 MET HG3 1 1 17 2548 1 1 10 MET N N -1.507 -5.291 2.657 1.00 . A A . 10 MET N 1 1 17 2549 1 1 10 MET O O -4.834 -4.832 3.929 1.00 . A A . 10 MET O 1 1 17 2550 1 1 10 MET SD S -0.472 -4.240 6.899 1.00 . A A . 10 MET SD 1 1 18 2551 1 1 1 GLY C C -0.388 9.608 3.696 1.00 . A A . 1 GLY C 1 1 18 2552 1 1 1 GLY CA C -0.615 10.932 2.995 1.00 . A A . 1 GLY CA 1 1 18 2553 1 1 1 GLY H1 H 0.226 12.106 4.405 1.00 . A A . 1 GLY H1 1 1 18 2554 1 1 1 GLY H2 H -0.798 12.899 3.409 1.00 . A A . 1 GLY H2 1 1 18 2555 1 1 1 GLY H3 H -1.388 11.920 4.576 1.00 . A A . 1 GLY H3 1 1 18 2556 1 1 1 GLY HA2 H -1.488 10.892 2.510 1.00 . A A . 1 GLY HA2 1 1 18 2557 1 1 1 GLY HA3 H 0.125 11.078 2.338 1.00 . A A . 1 GLY HA3 1 1 18 2558 1 1 1 GLY N N -0.646 12.051 3.918 1.00 . A A . 1 GLY N 1 1 18 2559 1 1 1 GLY O O 0.365 9.532 4.666 1.00 . A A . 1 GLY O 1 1 18 2560 1 1 2 ASN C C 0.180 6.429 3.082 1.00 . A A . 2 ASN C 1 1 18 2561 1 1 2 ASN CA C -0.907 7.232 3.791 1.00 . A A . 2 ASN CA 1 1 18 2562 1 1 2 ASN CB C -2.239 6.483 3.719 1.00 . A A . 2 ASN CB 1 1 18 2563 1 1 2 ASN CG C -3.099 6.711 4.947 1.00 . A A . 2 ASN CG 1 1 18 2564 1 1 2 ASN H H -1.637 8.685 2.411 1.00 . A A . 2 ASN H 1 1 18 2565 1 1 2 ASN HA H -0.602 7.362 4.734 1.00 . A A . 2 ASN HA 1 1 18 2566 1 1 2 ASN HB2 H -2.740 6.797 2.913 1.00 . A A . 2 ASN HB2 1 1 18 2567 1 1 2 ASN HB3 H -2.052 5.504 3.635 1.00 . A A . 2 ASN HB3 1 1 18 2568 1 1 2 ASN HD21 H -2.124 5.250 5.950 1.00 . A A . 2 ASN HD21 1 1 18 2569 1 1 2 ASN HD22 H -3.383 6.044 6.835 1.00 . A A . 2 ASN HD22 1 1 18 2570 1 1 2 ASN N N -1.040 8.560 3.204 1.00 . A A . 2 ASN N 1 1 18 2571 1 1 2 ASN ND2 N -2.848 5.938 5.997 1.00 . A A . 2 ASN ND2 1 1 18 2572 1 1 2 ASN O O 0.809 6.913 2.142 1.00 . A A . 2 ASN O 1 1 18 2573 1 1 2 ASN OD1 O -3.978 7.573 4.952 1.00 . A A . 2 ASN OD1 1 1 18 2574 1 1 3 HIS C C 0.855 3.625 1.709 1.00 . A A . 3 HIS C 1 1 18 2575 1 1 3 HIS CA C 1.402 4.329 2.947 1.00 . A A . 3 HIS CA 1 1 18 2576 1 1 3 HIS CB C 1.876 3.292 3.968 1.00 . A A . 3 HIS CB 1 1 18 2577 1 1 3 HIS CD2 C 4.223 2.279 3.508 1.00 . A A . 3 HIS CD2 1 1 18 2578 1 1 3 HIS CE1 C 5.400 3.706 4.678 1.00 . A A . 3 HIS CE1 1 1 18 2579 1 1 3 HIS CG C 3.373 3.187 4.066 1.00 . A A . 3 HIS CG 1 1 18 2580 1 1 3 HIS H H -0.152 4.862 4.307 1.00 . A A . 3 HIS H 1 1 18 2581 1 1 3 HIS HA H 2.174 4.898 2.664 1.00 . A A . 3 HIS HA 1 1 18 2582 1 1 3 HIS HB2 H 1.518 3.544 4.867 1.00 . A A . 3 HIS HB2 1 1 18 2583 1 1 3 HIS HB3 H 1.514 2.398 3.704 1.00 . A A . 3 HIS HB3 1 1 18 2584 1 1 3 HIS HD2 H 3.970 1.509 2.922 1.00 . A A . 3 HIS HD2 1 1 18 2585 1 1 3 HIS HE1 H 6.175 4.172 5.105 1.00 . A A . 3 HIS HE1 1 1 18 2586 1 1 3 HIS HE2 H 6.360 2.164 3.674 1.00 . A A . 3 HIS HE2 1 1 18 2587 1 1 3 HIS N N 0.393 5.199 3.539 1.00 . A A . 3 HIS N 1 1 18 2588 1 1 3 HIS ND1 N 4.134 4.080 4.801 1.00 . A A . 3 HIS ND1 1 1 18 2589 1 1 3 HIS NE2 N 5.502 2.623 3.906 1.00 . A A . 3 HIS NE2 1 1 18 2590 1 1 3 HIS O O -0.230 3.951 1.227 1.00 . A A . 3 HIS O 1 1 18 2591 1 1 4 TRP C C 0.849 0.472 0.380 1.00 . A A . 4 TRP C 1 1 18 2592 1 1 4 TRP CA C 1.202 1.911 0.018 1.00 . A A . 4 TRP CA 1 1 18 2593 1 1 4 TRP CB C 2.313 1.927 -1.032 1.00 . A A . 4 TRP CB 1 1 18 2594 1 1 4 TRP CD1 C 4.566 2.275 0.139 1.00 . A A . 4 TRP CD1 1 1 18 2595 1 1 4 TRP CD2 C 4.202 0.176 -0.549 1.00 . A A . 4 TRP CD2 1 1 18 2596 1 1 4 TRP CE2 C 5.464 0.231 0.073 1.00 . A A . 4 TRP CE2 1 1 18 2597 1 1 4 TRP CE3 C 3.757 -1.046 -1.062 1.00 . A A . 4 TRP CE3 1 1 18 2598 1 1 4 TRP CG C 3.644 1.494 -0.496 1.00 . A A . 4 TRP CG 1 1 18 2599 1 1 4 TRP CH2 C 5.823 -2.071 -0.316 1.00 . A A . 4 TRP CH2 1 1 18 2600 1 1 4 TRP CZ2 C 6.284 -0.887 0.195 1.00 . A A . 4 TRP CZ2 1 1 18 2601 1 1 4 TRP CZ3 C 4.571 -2.155 -0.940 1.00 . A A . 4 TRP CZ3 1 1 18 2602 1 1 4 TRP H H 2.482 2.439 1.639 1.00 . A A . 4 TRP H 1 1 18 2603 1 1 4 TRP HA H 0.372 2.342 -0.336 1.00 . A A . 4 TRP HA 1 1 18 2604 1 1 4 TRP HB2 H 2.057 1.310 -1.777 1.00 . A A . 4 TRP HB2 1 1 18 2605 1 1 4 TRP HB3 H 2.404 2.858 -1.387 1.00 . A A . 4 TRP HB3 1 1 18 2606 1 1 4 TRP HD1 H 4.459 3.252 0.326 1.00 . A A . 4 TRP HD1 1 1 18 2607 1 1 4 TRP HE1 H 6.476 1.862 0.958 1.00 . A A . 4 TRP HE1 1 1 18 2608 1 1 4 TRP HE3 H 2.866 -1.117 -1.509 1.00 . A A . 4 TRP HE3 1 1 18 2609 1 1 4 TRP HH2 H 6.388 -2.893 -0.244 1.00 . A A . 4 TRP HH2 1 1 18 2610 1 1 4 TRP HZ2 H 7.177 -0.824 0.641 1.00 . A A . 4 TRP HZ2 1 1 18 2611 1 1 4 TRP HZ3 H 4.261 -3.033 -1.304 1.00 . A A . 4 TRP HZ3 1 1 18 2612 1 1 4 TRP N N 1.611 2.659 1.200 1.00 . A A . 4 TRP N 1 1 18 2613 1 1 4 TRP NE1 N 5.663 1.523 0.484 1.00 . A A . 4 TRP NE1 1 1 18 2614 1 1 4 TRP O O -0.176 -0.053 -0.056 1.00 . A A . 4 TRP O 1 1 18 2615 1 1 5 ALA C C 0.094 -1.705 2.213 1.00 . A A . 5 ALA C 1 1 18 2616 1 1 5 ALA CA C 1.480 -1.536 1.599 1.00 . A A . 5 ALA CA 1 1 18 2617 1 1 5 ALA CB C 2.553 -1.967 2.589 1.00 . A A . 5 ALA CB 1 1 18 2618 1 1 5 ALA H H 2.519 0.321 1.497 1.00 . A A . 5 ALA H 1 1 18 2619 1 1 5 ALA HA H 1.541 -2.126 0.794 1.00 . A A . 5 ALA HA 1 1 18 2620 1 1 5 ALA HB1 H 2.523 -1.369 3.390 1.00 . A A . 5 ALA HB1 1 1 18 2621 1 1 5 ALA HB2 H 2.392 -2.912 2.873 1.00 . A A . 5 ALA HB2 1 1 18 2622 1 1 5 ALA HB3 H 3.451 -1.897 2.154 1.00 . A A . 5 ALA HB3 1 1 18 2623 1 1 5 ALA N N 1.703 -0.160 1.178 1.00 . A A . 5 ALA N 1 1 18 2624 1 1 5 ALA O O -0.494 -2.784 2.156 1.00 . A A . 5 ALA O 1 1 18 2625 1 1 6 VAL C C -2.789 -1.214 2.469 1.00 . A A . 6 VAL C 1 1 18 2626 1 1 6 VAL CA C -1.741 -0.659 3.424 1.00 . A A . 6 VAL CA 1 1 18 2627 1 1 6 VAL CB C -2.172 0.744 3.887 1.00 . A A . 6 VAL CB 1 1 18 2628 1 1 6 VAL CG1 C -1.220 1.276 4.947 1.00 . A A . 6 VAL CG1 1 1 18 2629 1 1 6 VAL CG2 C -2.248 1.695 2.701 1.00 . A A . 6 VAL CG2 1 1 18 2630 1 1 6 VAL H H 0.106 0.219 2.814 1.00 . A A . 6 VAL H 1 1 18 2631 1 1 6 VAL HA H -1.691 -1.273 4.211 1.00 . A A . 6 VAL HA 1 1 18 2632 1 1 6 VAL HB H -3.075 0.660 4.308 1.00 . A A . 6 VAL HB 1 1 18 2633 1 1 6 VAL HG11 H -1.220 0.667 5.740 1.00 . A A . 6 VAL HG11 1 1 18 2634 1 1 6 VAL HG12 H -0.295 1.336 4.573 1.00 . A A . 6 VAL HG12 1 1 18 2635 1 1 6 VAL HG13 H -1.526 2.186 5.226 1.00 . A A . 6 VAL HG13 1 1 18 2636 1 1 6 VAL HG21 H -2.916 1.355 2.039 1.00 . A A . 6 VAL HG21 1 1 18 2637 1 1 6 VAL HG22 H -2.529 2.598 3.025 1.00 . A A . 6 VAL HG22 1 1 18 2638 1 1 6 VAL HG23 H -1.351 1.762 2.265 1.00 . A A . 6 VAL HG23 1 1 18 2639 1 1 6 VAL N N -0.422 -0.630 2.800 1.00 . A A . 6 VAL N 1 1 18 2640 1 1 6 VAL O O -3.771 -1.821 2.892 1.00 . A A . 6 VAL O 1 1 18 2641 1 1 7 GLY C C -2.861 -2.431 -0.815 1.00 . A A . 7 GLY C 1 1 18 2642 1 1 7 GLY CA C -3.510 -1.486 0.176 1.00 . A A . 7 GLY CA 1 1 18 2643 1 1 7 GLY H H -1.758 -0.501 0.884 1.00 . A A . 7 GLY H 1 1 18 2644 1 1 7 GLY HA2 H -4.253 -1.968 0.640 1.00 . A A . 7 GLY HA2 1 1 18 2645 1 1 7 GLY HA3 H -3.882 -0.703 -0.323 1.00 . A A . 7 GLY HA3 1 1 18 2646 1 1 7 GLY N N -2.574 -1.001 1.174 1.00 . A A . 7 GLY N 1 1 18 2647 1 1 7 GLY O O -3.510 -3.342 -1.332 1.00 . A A . 7 GLY O 1 1 18 2648 1 1 8 HIS C C -0.466 -4.388 -1.380 1.00 . A A . 8 HIS C 1 1 18 2649 1 1 8 HIS CA C -0.841 -3.055 -2.022 1.00 . A A . 8 HIS CA 1 1 18 2650 1 1 8 HIS CB C 0.418 -2.334 -2.504 1.00 . A A . 8 HIS CB 1 1 18 2651 1 1 8 HIS CD2 C -0.585 -1.579 -4.776 1.00 . A A . 8 HIS CD2 1 1 18 2652 1 1 8 HIS CE1 C 1.210 -1.846 -6.000 1.00 . A A . 8 HIS CE1 1 1 18 2653 1 1 8 HIS CG C 0.421 -2.033 -3.977 1.00 . A A . 8 HIS CG 1 1 18 2654 1 1 8 HIS H H -1.104 -1.458 -0.632 1.00 . A A . 8 HIS H 1 1 18 2655 1 1 8 HIS HA H -1.437 -3.244 -2.803 1.00 . A A . 8 HIS HA 1 1 18 2656 1 1 8 HIS HB2 H 0.497 -1.470 -2.007 1.00 . A A . 8 HIS HB2 1 1 18 2657 1 1 8 HIS HB3 H 1.210 -2.910 -2.300 1.00 . A A . 8 HIS HB3 1 1 18 2658 1 1 8 HIS HD2 H -1.520 -1.367 -4.493 1.00 . A A . 8 HIS HD2 1 1 18 2659 1 1 8 HIS HE1 H 1.829 -1.864 -6.785 1.00 . A A . 8 HIS HE1 1 1 18 2660 1 1 8 HIS HE2 H -0.538 -1.160 -6.883 1.00 . A A . 8 HIS HE2 1 1 18 2661 1 1 8 HIS N N -1.577 -2.215 -1.084 1.00 . A A . 8 HIS N 1 1 18 2662 1 1 8 HIS ND1 N 1.547 -2.196 -4.767 1.00 . A A . 8 HIS ND1 1 1 18 2663 1 1 8 HIS NE2 N -0.067 -1.466 -6.055 1.00 . A A . 8 HIS NE2 1 1 18 2664 1 1 8 HIS O O -0.176 -5.363 -2.073 1.00 . A A . 8 HIS O 1 1 18 2665 1 1 9 LEU C C -1.283 -6.059 1.593 1.00 . A A . 9 LEU C 1 1 18 2666 1 1 9 LEU CA C -0.134 -5.634 0.685 1.00 . A A . 9 LEU CA 1 1 18 2667 1 1 9 LEU CB C 1.131 -5.413 1.514 1.00 . A A . 9 LEU CB 1 1 18 2668 1 1 9 LEU CD1 C 3.630 -5.333 1.709 1.00 . A A . 9 LEU CD1 1 1 18 2669 1 1 9 LEU CD2 C 2.545 -7.064 0.266 1.00 . A A . 9 LEU CD2 1 1 18 2670 1 1 9 LEU CG C 2.459 -5.637 0.788 1.00 . A A . 9 LEU CG 1 1 18 2671 1 1 9 LEU H H -0.717 -3.594 0.455 1.00 . A A . 9 LEU H 1 1 18 2672 1 1 9 LEU HA H 0.029 -6.366 0.024 1.00 . A A . 9 LEU HA 1 1 18 2673 1 1 9 LEU HB2 H 1.120 -4.469 1.845 1.00 . A A . 9 LEU HB2 1 1 18 2674 1 1 9 LEU HB3 H 1.100 -6.039 2.293 1.00 . A A . 9 LEU HB3 1 1 18 2675 1 1 9 LEU HD11 H 3.581 -4.380 2.007 1.00 . A A . 9 LEU HD11 1 1 18 2676 1 1 9 LEU HD12 H 3.592 -5.935 2.507 1.00 . A A . 9 LEU HD12 1 1 18 2677 1 1 9 LEU HD13 H 4.488 -5.485 1.217 1.00 . A A . 9 LEU HD13 1 1 18 2678 1 1 9 LEU HD21 H 1.788 -7.226 -0.367 1.00 . A A . 9 LEU HD21 1 1 18 2679 1 1 9 LEU HD22 H 3.413 -7.209 -0.208 1.00 . A A . 9 LEU HD22 1 1 18 2680 1 1 9 LEU HD23 H 2.476 -7.698 1.037 1.00 . A A . 9 LEU HD23 1 1 18 2681 1 1 9 LEU HG H 2.502 -5.034 -0.009 1.00 . A A . 9 LEU HG 1 1 18 2682 1 1 9 LEU N N -0.473 -4.421 -0.052 1.00 . A A . 9 LEU N 1 1 18 2683 1 1 9 LEU O O -1.954 -7.058 1.335 1.00 . A A . 9 LEU O 1 1 18 2684 1 1 10 MET C C -3.804 -4.728 3.317 1.00 . A A . 10 MET C 1 1 18 2685 1 1 10 MET CA C -2.578 -5.588 3.599 1.00 . A A . 10 MET CA 1 1 18 2686 1 1 10 MET CB C -2.099 -5.359 5.035 1.00 . A A . 10 MET CB 1 1 18 2687 1 1 10 MET CE C 0.491 -2.929 6.294 1.00 . A A . 10 MET CE 1 1 18 2688 1 1 10 MET CG C -1.948 -3.890 5.397 1.00 . A A . 10 MET CG 1 1 18 2689 1 1 10 MET H H -0.926 -4.494 2.811 1.00 . A A . 10 MET H 1 1 18 2690 1 1 10 MET HA H -2.841 -6.545 3.474 1.00 . A A . 10 MET HA 1 1 18 2691 1 1 10 MET HB2 H -2.761 -5.772 5.660 1.00 . A A . 10 MET HB2 1 1 18 2692 1 1 10 MET HB3 H -1.211 -5.805 5.148 1.00 . A A . 10 MET HB3 1 1 18 2693 1 1 10 MET HE1 H 0.920 -3.574 5.662 1.00 . A A . 10 MET HE1 1 1 18 2694 1 1 10 MET HE2 H 0.277 -2.081 5.810 1.00 . A A . 10 MET HE2 1 1 18 2695 1 1 10 MET HE3 H 1.119 -2.734 7.047 1.00 . A A . 10 MET HE3 1 1 18 2696 1 1 10 MET HG2 H -1.470 -3.429 4.649 1.00 . A A . 10 MET HG2 1 1 18 2697 1 1 10 MET HG3 H -2.861 -3.496 5.501 1.00 . A A . 10 MET HG3 1 1 18 2698 1 1 10 MET N N -1.507 -5.293 2.655 1.00 . A A . 10 MET N 1 1 18 2699 1 1 10 MET O O -4.815 -4.820 4.017 1.00 . A A . 10 MET O 1 1 18 2700 1 1 10 MET SD S -1.024 -3.644 6.926 1.00 . A A . 10 MET SD 1 1 19 2701 1 1 1 GLY C C -0.785 9.663 3.771 1.00 . A A . 1 GLY C 1 1 19 2702 1 1 1 GLY CA C -1.004 10.955 3.009 1.00 . A A . 1 GLY CA 1 1 19 2703 1 1 1 GLY H1 H -2.921 10.608 2.482 1.00 . A A . 1 GLY H1 1 1 19 2704 1 1 1 GLY H2 H -2.170 11.719 1.550 1.00 . A A . 1 GLY H2 1 1 19 2705 1 1 1 GLY H3 H -1.831 10.132 1.362 1.00 . A A . 1 GLY H3 1 1 19 2706 1 1 1 GLY HA2 H -0.155 11.199 2.541 1.00 . A A . 1 GLY HA2 1 1 19 2707 1 1 1 GLY HA3 H -1.244 11.675 3.660 1.00 . A A . 1 GLY HA3 1 1 19 2708 1 1 1 GLY N N -2.064 10.845 2.024 1.00 . A A . 1 GLY N 1 1 19 2709 1 1 1 GLY O O -0.352 9.680 4.923 1.00 . A A . 1 GLY O 1 1 19 2710 1 1 2 ASN C C 0.158 6.421 3.042 1.00 . A A . 2 ASN C 1 1 19 2711 1 1 2 ASN CA C -0.920 7.233 3.753 1.00 . A A . 2 ASN CA 1 1 19 2712 1 1 2 ASN CB C -2.244 6.466 3.738 1.00 . A A . 2 ASN CB 1 1 19 2713 1 1 2 ASN CG C -3.080 6.733 4.976 1.00 . A A . 2 ASN CG 1 1 19 2714 1 1 2 ASN H H -1.430 8.592 2.191 1.00 . A A . 2 ASN H 1 1 19 2715 1 1 2 ASN HA H -0.592 7.396 4.684 1.00 . A A . 2 ASN HA 1 1 19 2716 1 1 2 ASN HB2 H -2.766 6.743 2.931 1.00 . A A . 2 ASN HB2 1 1 19 2717 1 1 2 ASN HB3 H -2.047 5.487 3.688 1.00 . A A . 2 ASN HB3 1 1 19 2718 1 1 2 ASN HD21 H -3.046 8.723 4.616 1.00 . A A . 2 ASN HD21 1 1 19 2719 1 1 2 ASN HD22 H -3.921 8.240 6.030 1.00 . A A . 2 ASN HD22 1 1 19 2720 1 1 2 ASN N N -1.084 8.540 3.128 1.00 . A A . 2 ASN N 1 1 19 2721 1 1 2 ASN ND2 N -3.373 8.003 5.228 1.00 . A A . 2 ASN ND2 1 1 19 2722 1 1 2 ASN O O 0.755 6.881 2.068 1.00 . A A . 2 ASN O 1 1 19 2723 1 1 2 ASN OD1 O -3.456 5.807 5.695 1.00 . A A . 2 ASN OD1 1 1 19 2724 1 1 3 HIS C C 0.858 3.632 1.708 1.00 . A A . 3 HIS C 1 1 19 2725 1 1 3 HIS CA C 1.408 4.334 2.946 1.00 . A A . 3 HIS CA 1 1 19 2726 1 1 3 HIS CB C 1.875 3.296 3.967 1.00 . A A . 3 HIS CB 1 1 19 2727 1 1 3 HIS CD2 C 4.234 2.313 3.509 1.00 . A A . 3 HIS CD2 1 1 19 2728 1 1 3 HIS CE1 C 5.386 3.711 4.741 1.00 . A A . 3 HIS CE1 1 1 19 2729 1 1 3 HIS CG C 3.371 3.197 4.083 1.00 . A A . 3 HIS CG 1 1 19 2730 1 1 3 HIS H H -0.117 4.893 4.329 1.00 . A A . 3 HIS H 1 1 19 2731 1 1 3 HIS HA H 2.184 4.898 2.663 1.00 . A A . 3 HIS HA 1 1 19 2732 1 1 3 HIS HB2 H 1.505 3.543 4.863 1.00 . A A . 3 HIS HB2 1 1 19 2733 1 1 3 HIS HB3 H 1.520 2.401 3.695 1.00 . A A . 3 HIS HB3 1 1 19 2734 1 1 3 HIS HD2 H 3.995 1.561 2.895 1.00 . A A . 3 HIS HD2 1 1 19 2735 1 1 3 HIS HE1 H 6.151 4.168 5.194 1.00 . A A . 3 HIS HE1 1 1 19 2736 1 1 3 HIS HE2 H 6.371 2.206 3.702 1.00 . A A . 3 HIS HE2 1 1 19 2737 1 1 3 HIS N N 0.402 5.210 3.535 1.00 . A A . 3 HIS N 1 1 19 2738 1 1 3 HIS ND1 N 4.116 4.072 4.857 1.00 . A A . 3 HIS ND1 1 1 19 2739 1 1 3 HIS NE2 N 5.507 2.652 3.936 1.00 . A A . 3 HIS NE2 1 1 19 2740 1 1 3 HIS O O -0.221 3.967 1.220 1.00 . A A . 3 HIS O 1 1 19 2741 1 1 4 TRP C C 0.846 0.471 0.383 1.00 . A A . 4 TRP C 1 1 19 2742 1 1 4 TRP CA C 1.196 1.910 0.021 1.00 . A A . 4 TRP CA 1 1 19 2743 1 1 4 TRP CB C 2.305 1.929 -1.032 1.00 . A A . 4 TRP CB 1 1 19 2744 1 1 4 TRP CD1 C 4.564 2.291 0.123 1.00 . A A . 4 TRP CD1 1 1 19 2745 1 1 4 TRP CD2 C 4.197 0.184 -0.539 1.00 . A A . 4 TRP CD2 1 1 19 2746 1 1 4 TRP CE2 C 5.462 0.247 0.075 1.00 . A A . 4 TRP CE2 1 1 19 2747 1 1 4 TRP CE3 C 3.750 -1.043 -1.035 1.00 . A A . 4 TRP CE3 1 1 19 2748 1 1 4 TRP CG C 3.639 1.502 -0.498 1.00 . A A . 4 TRP CG 1 1 19 2749 1 1 4 TRP CH2 C 5.820 -2.059 -0.289 1.00 . A A . 4 TRP CH2 1 1 19 2750 1 1 4 TRP CZ2 C 6.283 -0.870 0.206 1.00 . A A . 4 TRP CZ2 1 1 19 2751 1 1 4 TRP CZ3 C 4.566 -2.151 -0.905 1.00 . A A . 4 TRP CZ3 1 1 19 2752 1 1 4 TRP H H 2.476 2.434 1.646 1.00 . A A . 4 TRP H 1 1 19 2753 1 1 4 TRP HA H 0.364 2.340 -0.330 1.00 . A A . 4 TRP HA 1 1 19 2754 1 1 4 TRP HB2 H 2.050 1.310 -1.775 1.00 . A A . 4 TRP HB2 1 1 19 2755 1 1 4 TRP HB3 H 2.391 2.859 -1.388 1.00 . A A . 4 TRP HB3 1 1 19 2756 1 1 4 TRP HD1 H 4.458 3.270 0.299 1.00 . A A . 4 TRP HD1 1 1 19 2757 1 1 4 TRP HE1 H 6.479 1.888 0.937 1.00 . A A . 4 TRP HE1 1 1 19 2758 1 1 4 TRP HE3 H 2.856 -1.120 -1.476 1.00 . A A . 4 TRP HE3 1 1 19 2759 1 1 4 TRP HH2 H 6.386 -2.879 -0.210 1.00 . A A . 4 TRP HH2 1 1 19 2760 1 1 4 TRP HZ2 H 7.178 -0.801 0.647 1.00 . A A . 4 TRP HZ2 1 1 19 2761 1 1 4 TRP HZ3 H 4.254 -3.033 -1.257 1.00 . A A . 4 TRP HZ3 1 1 19 2762 1 1 4 TRP N N 1.608 2.659 1.204 1.00 . A A . 4 TRP N 1 1 19 2763 1 1 4 TRP NE1 N 5.664 1.544 0.471 1.00 . A A . 4 TRP NE1 1 1 19 2764 1 1 4 TRP O O -0.177 -0.056 -0.053 1.00 . A A . 4 TRP O 1 1 19 2765 1 1 5 ALA C C 0.094 -1.707 2.215 1.00 . A A . 5 ALA C 1 1 19 2766 1 1 5 ALA CA C 1.480 -1.537 1.603 1.00 . A A . 5 ALA CA 1 1 19 2767 1 1 5 ALA CB C 2.552 -1.965 2.593 1.00 . A A . 5 ALA CB 1 1 19 2768 1 1 5 ALA H H 2.516 0.325 1.500 1.00 . A A . 5 ALA H 1 1 19 2769 1 1 5 ALA HA H 1.543 -2.127 0.798 1.00 . A A . 5 ALA HA 1 1 19 2770 1 1 5 ALA HB1 H 2.520 -1.367 3.394 1.00 . A A . 5 ALA HB1 1 1 19 2771 1 1 5 ALA HB2 H 2.392 -2.911 2.876 1.00 . A A . 5 ALA HB2 1 1 19 2772 1 1 5 ALA HB3 H 3.450 -1.894 2.159 1.00 . A A . 5 ALA HB3 1 1 19 2773 1 1 5 ALA N N 1.701 -0.158 1.181 1.00 . A A . 5 ALA N 1 1 19 2774 1 1 5 ALA O O -0.493 -2.788 2.157 1.00 . A A . 5 ALA O 1 1 19 2775 1 1 6 VAL C C -2.790 -1.219 2.468 1.00 . A A . 6 VAL C 1 1 19 2776 1 1 6 VAL CA C -1.744 -0.664 3.426 1.00 . A A . 6 VAL CA 1 1 19 2777 1 1 6 VAL CB C -2.176 0.738 3.890 1.00 . A A . 6 VAL CB 1 1 19 2778 1 1 6 VAL CG1 C -1.223 1.271 4.948 1.00 . A A . 6 VAL CG1 1 1 19 2779 1 1 6 VAL CG2 C -2.258 1.689 2.706 1.00 . A A . 6 VAL CG2 1 1 19 2780 1 1 6 VAL H H 0.104 0.215 2.819 1.00 . A A . 6 VAL H 1 1 19 2781 1 1 6 VAL HA H -1.695 -1.279 4.213 1.00 . A A . 6 VAL HA 1 1 19 2782 1 1 6 VAL HB H -3.078 0.653 4.312 1.00 . A A . 6 VAL HB 1 1 19 2783 1 1 6 VAL HG11 H -0.298 1.332 4.572 1.00 . A A . 6 VAL HG11 1 1 19 2784 1 1 6 VAL HG12 H -1.530 2.181 5.228 1.00 . A A . 6 VAL HG12 1 1 19 2785 1 1 6 VAL HG13 H -1.221 0.661 5.741 1.00 . A A . 6 VAL HG13 1 1 19 2786 1 1 6 VAL HG21 H -2.928 1.348 2.046 1.00 . A A . 6 VAL HG21 1 1 19 2787 1 1 6 VAL HG22 H -2.540 2.592 3.031 1.00 . A A . 6 VAL HG22 1 1 19 2788 1 1 6 VAL HG23 H -1.362 1.758 2.267 1.00 . A A . 6 VAL HG23 1 1 19 2789 1 1 6 VAL N N -0.424 -0.634 2.803 1.00 . A A . 6 VAL N 1 1 19 2790 1 1 6 VAL O O -3.772 -1.827 2.890 1.00 . A A . 6 VAL O 1 1 19 2791 1 1 7 GLY C C -2.860 -2.436 -0.815 1.00 . A A . 7 GLY C 1 1 19 2792 1 1 7 GLY CA C -3.509 -1.489 0.175 1.00 . A A . 7 GLY CA 1 1 19 2793 1 1 7 GLY H H -1.759 -0.504 0.885 1.00 . A A . 7 GLY H 1 1 19 2794 1 1 7 GLY HA2 H -4.254 -1.970 0.638 1.00 . A A . 7 GLY HA2 1 1 19 2795 1 1 7 GLY HA3 H -3.878 -0.706 -0.325 1.00 . A A . 7 GLY HA3 1 1 19 2796 1 1 7 GLY N N -2.575 -1.005 1.174 1.00 . A A . 7 GLY N 1 1 19 2797 1 1 7 GLY O O -3.506 -3.353 -1.323 1.00 . A A . 7 GLY O 1 1 19 2798 1 1 8 HIS C C -0.465 -4.385 -1.383 1.00 . A A . 8 HIS C 1 1 19 2799 1 1 8 HIS CA C -0.843 -3.055 -2.028 1.00 . A A . 8 HIS CA 1 1 19 2800 1 1 8 HIS CB C 0.415 -2.334 -2.513 1.00 . A A . 8 HIS CB 1 1 19 2801 1 1 8 HIS CD2 C -0.627 -1.711 -4.808 1.00 . A A . 8 HIS CD2 1 1 19 2802 1 1 8 HIS CE1 C 1.218 -1.722 -5.988 1.00 . A A . 8 HIS CE1 1 1 19 2803 1 1 8 HIS CG C 0.412 -2.027 -3.985 1.00 . A A . 8 HIS CG 1 1 19 2804 1 1 8 HIS H H -1.107 -1.452 -0.645 1.00 . A A . 8 HIS H 1 1 19 2805 1 1 8 HIS HA H -1.440 -3.247 -2.807 1.00 . A A . 8 HIS HA 1 1 19 2806 1 1 8 HIS HB2 H 0.498 -1.472 -2.013 1.00 . A A . 8 HIS HB2 1 1 19 2807 1 1 8 HIS HB3 H 1.207 -2.912 -2.315 1.00 . A A . 8 HIS HB3 1 1 19 2808 1 1 8 HIS HD2 H -1.589 -1.632 -4.548 1.00 . A A . 8 HIS HD2 1 1 19 2809 1 1 8 HIS HE1 H 1.853 -1.651 -6.758 1.00 . A A . 8 HIS HE1 1 1 19 2810 1 1 8 HIS HE2 H -0.590 -1.276 -6.910 1.00 . A A . 8 HIS HE2 1 1 19 2811 1 1 8 HIS N N -1.578 -2.214 -1.091 1.00 . A A . 8 HIS N 1 1 19 2812 1 1 8 HIS ND1 N 1.568 -2.029 -4.747 1.00 . A A . 8 HIS ND1 1 1 19 2813 1 1 8 HIS NE2 N -0.100 -1.520 -6.073 1.00 . A A . 8 HIS NE2 1 1 19 2814 1 1 8 HIS O O -0.171 -5.361 -2.075 1.00 . A A . 8 HIS O 1 1 19 2815 1 1 9 LEU C C -1.276 -6.048 1.599 1.00 . A A . 9 LEU C 1 1 19 2816 1 1 9 LEU CA C -0.131 -5.627 0.684 1.00 . A A . 9 LEU CA 1 1 19 2817 1 1 9 LEU CB C 1.140 -5.405 1.506 1.00 . A A . 9 LEU CB 1 1 19 2818 1 1 9 LEU CD1 C 3.638 -5.323 1.685 1.00 . A A . 9 LEU CD1 1 1 19 2819 1 1 9 LEU CD2 C 2.547 -7.055 0.249 1.00 . A A . 9 LEU CD2 1 1 19 2820 1 1 9 LEU CG C 2.462 -5.629 0.772 1.00 . A A . 9 LEU CG 1 1 19 2821 1 1 9 LEU H H -0.722 -3.590 0.451 1.00 . A A . 9 LEU H 1 1 19 2822 1 1 9 LEU HA H 0.028 -6.362 0.024 1.00 . A A . 9 LEU HA 1 1 19 2823 1 1 9 LEU HB2 H 1.130 -4.461 1.836 1.00 . A A . 9 LEU HB2 1 1 19 2824 1 1 9 LEU HB3 H 1.114 -6.031 2.286 1.00 . A A . 9 LEU HB3 1 1 19 2825 1 1 9 LEU HD11 H 3.590 -4.369 1.983 1.00 . A A . 9 LEU HD11 1 1 19 2826 1 1 9 LEU HD12 H 3.606 -5.924 2.484 1.00 . A A . 9 LEU HD12 1 1 19 2827 1 1 9 LEU HD13 H 4.492 -5.475 1.188 1.00 . A A . 9 LEU HD13 1 1 19 2828 1 1 9 LEU HD21 H 1.786 -7.217 -0.379 1.00 . A A . 9 LEU HD21 1 1 19 2829 1 1 9 LEU HD22 H 3.412 -7.200 -0.231 1.00 . A A . 9 LEU HD22 1 1 19 2830 1 1 9 LEU HD23 H 2.483 -7.689 1.020 1.00 . A A . 9 LEU HD23 1 1 19 2831 1 1 9 LEU HG H 2.500 -5.027 -0.026 1.00 . A A . 9 LEU HG 1 1 19 2832 1 1 9 LEU N N -0.474 -4.416 -0.055 1.00 . A A . 9 LEU N 1 1 19 2833 1 1 9 LEU O O -1.981 -7.018 1.322 1.00 . A A . 9 LEU O 1 1 19 2834 1 1 10 MET C C -3.649 -4.589 3.532 1.00 . A A . 10 MET C 1 1 19 2835 1 1 10 MET CA C -2.518 -5.606 3.645 1.00 . A A . 10 MET CA 1 1 19 2836 1 1 10 MET CB C -1.963 -5.612 5.071 1.00 . A A . 10 MET CB 1 1 19 2837 1 1 10 MET CE C 1.085 -3.987 6.208 1.00 . A A . 10 MET CE 1 1 19 2838 1 1 10 MET CG C -1.605 -4.229 5.590 1.00 . A A . 10 MET CG 1 1 19 2839 1 1 10 MET H H -0.848 -4.535 2.860 1.00 . A A . 10 MET H 1 1 19 2840 1 1 10 MET HA H -2.892 -6.505 3.419 1.00 . A A . 10 MET HA 1 1 19 2841 1 1 10 MET HB2 H -2.652 -6.008 5.678 1.00 . A A . 10 MET HB2 1 1 19 2842 1 1 10 MET HB3 H -1.139 -6.179 5.088 1.00 . A A . 10 MET HB3 1 1 19 2843 1 1 10 MET HE1 H 1.252 -4.705 5.532 1.00 . A A . 10 MET HE1 1 1 19 2844 1 1 10 MET HE2 H 1.058 -3.098 5.750 1.00 . A A . 10 MET HE2 1 1 19 2845 1 1 10 MET HE3 H 1.820 -3.990 6.886 1.00 . A A . 10 MET HE3 1 1 19 2846 1 1 10 MET HG2 H -1.166 -3.719 4.850 1.00 . A A . 10 MET HG2 1 1 19 2847 1 1 10 MET HG3 H -2.449 -3.766 5.859 1.00 . A A . 10 MET HG3 1 1 19 2848 1 1 10 MET N N -1.456 -5.311 2.690 1.00 . A A . 10 MET N 1 1 19 2849 1 1 10 MET O O -4.814 -4.957 3.376 1.00 . A A . 10 MET O 1 1 19 2850 1 1 10 MET SD S -0.490 -4.286 7.005 1.00 . A A . 10 MET SD 1 1 20 2851 1 1 1 GLY C C -0.569 9.645 3.822 1.00 . A A . 1 GLY C 1 1 20 2852 1 1 1 GLY CA C -0.774 10.965 3.106 1.00 . A A . 1 GLY CA 1 1 20 2853 1 1 1 GLY H1 H -0.868 10.219 1.234 1.00 . A A . 1 GLY H1 1 1 20 2854 1 1 1 GLY H2 H -0.500 11.809 1.294 1.00 . A A . 1 GLY H2 1 1 20 2855 1 1 1 GLY H3 H 0.629 10.694 1.681 1.00 . A A . 1 GLY H3 1 1 20 2856 1 1 1 GLY HA2 H -0.250 11.672 3.580 1.00 . A A . 1 GLY HA2 1 1 20 2857 1 1 1 GLY HA3 H -1.746 11.197 3.133 1.00 . A A . 1 GLY HA3 1 1 20 2858 1 1 1 GLY N N -0.345 10.918 1.721 1.00 . A A . 1 GLY N 1 1 20 2859 1 1 1 GLY O O 0.002 9.604 4.911 1.00 . A A . 1 GLY O 1 1 20 2860 1 1 2 ASN C C 0.184 6.432 3.085 1.00 . A A . 2 ASN C 1 1 20 2861 1 1 2 ASN CA C -0.902 7.233 3.796 1.00 . A A . 2 ASN CA 1 1 20 2862 1 1 2 ASN CB C -2.235 6.485 3.724 1.00 . A A . 2 ASN CB 1 1 20 2863 1 1 2 ASN CG C -3.092 6.712 4.954 1.00 . A A . 2 ASN CG 1 1 20 2864 1 1 2 ASN H H -1.490 8.661 2.324 1.00 . A A . 2 ASN H 1 1 20 2865 1 1 2 ASN HA H -0.595 7.362 4.739 1.00 . A A . 2 ASN HA 1 1 20 2866 1 1 2 ASN HB2 H -2.737 6.801 2.919 1.00 . A A . 2 ASN HB2 1 1 20 2867 1 1 2 ASN HB3 H -2.049 5.506 3.637 1.00 . A A . 2 ASN HB3 1 1 20 2868 1 1 2 ASN HD21 H -3.531 8.592 4.348 1.00 . A A . 2 ASN HD21 1 1 20 2869 1 1 2 ASN HD22 H -4.250 8.110 5.849 1.00 . A A . 2 ASN HD22 1 1 20 2870 1 1 2 ASN N N -1.036 8.562 3.209 1.00 . A A . 2 ASN N 1 1 20 2871 1 1 2 ASN ND2 N -3.672 7.903 5.059 1.00 . A A . 2 ASN ND2 1 1 20 2872 1 1 2 ASN O O 0.815 6.917 2.145 1.00 . A A . 2 ASN O 1 1 20 2873 1 1 2 ASN OD1 O -3.232 5.828 5.799 1.00 . A A . 2 ASN OD1 1 1 20 2874 1 1 3 HIS C C 0.855 3.626 1.709 1.00 . A A . 3 HIS C 1 1 20 2875 1 1 3 HIS CA C 1.405 4.329 2.946 1.00 . A A . 3 HIS CA 1 1 20 2876 1 1 3 HIS CB C 1.880 3.293 3.965 1.00 . A A . 3 HIS CB 1 1 20 2877 1 1 3 HIS CD2 C 4.219 2.278 3.470 1.00 . A A . 3 HIS CD2 1 1 20 2878 1 1 3 HIS CE1 C 5.411 3.675 4.663 1.00 . A A . 3 HIS CE1 1 1 20 2879 1 1 3 HIS CG C 3.378 3.179 4.052 1.00 . A A . 3 HIS CG 1 1 20 2880 1 1 3 HIS H H -0.150 4.864 4.306 1.00 . A A . 3 HIS H 1 1 20 2881 1 1 3 HIS HA H 2.178 4.897 2.662 1.00 . A A . 3 HIS HA 1 1 20 2882 1 1 3 HIS HB2 H 1.531 3.550 4.866 1.00 . A A . 3 HIS HB2 1 1 20 2883 1 1 3 HIS HB3 H 1.511 2.400 3.707 1.00 . A A . 3 HIS HB3 1 1 20 2884 1 1 3 HIS HD2 H 3.958 1.522 2.870 1.00 . A A . 3 HIS HD2 1 1 20 2885 1 1 3 HIS HE1 H 6.191 4.127 5.096 1.00 . A A . 3 HIS HE1 1 1 20 2886 1 1 3 HIS HE2 H 6.357 2.149 3.619 1.00 . A A . 3 HIS HE2 1 1 20 2887 1 1 3 HIS N N 0.396 5.201 3.539 1.00 . A A . 3 HIS N 1 1 20 2888 1 1 3 HIS ND1 N 4.148 4.053 4.801 1.00 . A A . 3 HIS ND1 1 1 20 2889 1 1 3 HIS NE2 N 5.503 2.607 3.867 1.00 . A A . 3 HIS NE2 1 1 20 2890 1 1 3 HIS O O -0.229 3.954 1.228 1.00 . A A . 3 HIS O 1 1 20 2891 1 1 4 TRP C C 0.847 0.472 0.381 1.00 . A A . 4 TRP C 1 1 20 2892 1 1 4 TRP CA C 1.199 1.910 0.018 1.00 . A A . 4 TRP CA 1 1 20 2893 1 1 4 TRP CB C 2.310 1.928 -1.033 1.00 . A A . 4 TRP CB 1 1 20 2894 1 1 4 TRP CD1 C 4.564 2.275 0.133 1.00 . A A . 4 TRP CD1 1 1 20 2895 1 1 4 TRP CD2 C 4.197 0.175 -0.552 1.00 . A A . 4 TRP CD2 1 1 20 2896 1 1 4 TRP CE2 C 5.460 0.230 0.067 1.00 . A A . 4 TRP CE2 1 1 20 2897 1 1 4 TRP CE3 C 3.750 -1.048 -1.063 1.00 . A A . 4 TRP CE3 1 1 20 2898 1 1 4 TRP CG C 3.641 1.493 -0.499 1.00 . A A . 4 TRP CG 1 1 20 2899 1 1 4 TRP CH2 C 5.816 -2.073 -0.320 1.00 . A A . 4 TRP CH2 1 1 20 2900 1 1 4 TRP CZ2 C 6.279 -0.890 0.188 1.00 . A A . 4 TRP CZ2 1 1 20 2901 1 1 4 TRP CZ3 C 4.563 -2.158 -0.942 1.00 . A A . 4 TRP CZ3 1 1 20 2902 1 1 4 TRP H H 2.483 2.440 1.638 1.00 . A A . 4 TRP H 1 1 20 2903 1 1 4 TRP HA H 0.368 2.341 -0.334 1.00 . A A . 4 TRP HA 1 1 20 2904 1 1 4 TRP HB2 H 2.054 1.313 -1.779 1.00 . A A . 4 TRP HB2 1 1 20 2905 1 1 4 TRP HB3 H 2.401 2.859 -1.385 1.00 . A A . 4 TRP HB3 1 1 20 2906 1 1 4 TRP HD1 H 4.459 3.252 0.319 1.00 . A A . 4 TRP HD1 1 1 20 2907 1 1 4 TRP HE1 H 6.477 1.857 0.949 1.00 . A A . 4 TRP HE1 1 1 20 2908 1 1 4 TRP HE3 H 2.857 -1.119 -1.508 1.00 . A A . 4 TRP HE3 1 1 20 2909 1 1 4 TRP HH2 H 6.381 -2.895 -0.247 1.00 . A A . 4 TRP HH2 1 1 20 2910 1 1 4 TRP HZ2 H 7.173 -0.827 0.631 1.00 . A A . 4 TRP HZ2 1 1 20 2911 1 1 4 TRP HZ3 H 4.252 -3.036 -1.304 1.00 . A A . 4 TRP HZ3 1 1 20 2912 1 1 4 TRP N N 1.611 2.659 1.200 1.00 . A A . 4 TRP N 1 1 20 2913 1 1 4 TRP NE1 N 5.662 1.521 0.477 1.00 . A A . 4 TRP NE1 1 1 20 2914 1 1 4 TRP O O -0.177 -0.054 -0.053 1.00 . A A . 4 TRP O 1 1 20 2915 1 1 5 ALA C C 0.094 -1.705 2.214 1.00 . A A . 5 ALA C 1 1 20 2916 1 1 5 ALA CA C 1.480 -1.536 1.601 1.00 . A A . 5 ALA CA 1 1 20 2917 1 1 5 ALA CB C 2.553 -1.964 2.591 1.00 . A A . 5 ALA CB 1 1 20 2918 1 1 5 ALA H H 2.519 0.323 1.496 1.00 . A A . 5 ALA H 1 1 20 2919 1 1 5 ALA HA H 1.543 -2.127 0.797 1.00 . A A . 5 ALA HA 1 1 20 2920 1 1 5 ALA HB1 H 2.523 -1.365 3.391 1.00 . A A . 5 ALA HB1 1 1 20 2921 1 1 5 ALA HB2 H 2.393 -2.909 2.876 1.00 . A A . 5 ALA HB2 1 1 20 2922 1 1 5 ALA HB3 H 3.451 -1.894 2.156 1.00 . A A . 5 ALA HB3 1 1 20 2923 1 1 5 ALA N N 1.702 -0.159 1.178 1.00 . A A . 5 ALA N 1 1 20 2924 1 1 5 ALA O O -0.494 -2.785 2.157 1.00 . A A . 5 ALA O 1 1 20 2925 1 1 6 VAL C C -2.789 -1.215 2.469 1.00 . A A . 6 VAL C 1 1 20 2926 1 1 6 VAL CA C -1.742 -0.660 3.425 1.00 . A A . 6 VAL CA 1 1 20 2927 1 1 6 VAL CB C -2.173 0.743 3.887 1.00 . A A . 6 VAL CB 1 1 20 2928 1 1 6 VAL CG1 C -1.222 1.275 4.948 1.00 . A A . 6 VAL CG1 1 1 20 2929 1 1 6 VAL CG2 C -2.249 1.694 2.702 1.00 . A A . 6 VAL CG2 1 1 20 2930 1 1 6 VAL H H 0.105 0.218 2.818 1.00 . A A . 6 VAL H 1 1 20 2931 1 1 6 VAL HA H -1.693 -1.274 4.212 1.00 . A A . 6 VAL HA 1 1 20 2932 1 1 6 VAL HB H -3.077 0.660 4.307 1.00 . A A . 6 VAL HB 1 1 20 2933 1 1 6 VAL HG11 H -0.296 1.335 4.575 1.00 . A A . 6 VAL HG11 1 1 20 2934 1 1 6 VAL HG12 H -1.528 2.185 5.226 1.00 . A A . 6 VAL HG12 1 1 20 2935 1 1 6 VAL HG13 H -1.223 0.666 5.741 1.00 . A A . 6 VAL HG13 1 1 20 2936 1 1 6 VAL HG21 H -2.917 1.354 2.040 1.00 . A A . 6 VAL HG21 1 1 20 2937 1 1 6 VAL HG22 H -2.530 2.597 3.026 1.00 . A A . 6 VAL HG22 1 1 20 2938 1 1 6 VAL HG23 H -1.352 1.761 2.266 1.00 . A A . 6 VAL HG23 1 1 20 2939 1 1 6 VAL N N -0.423 -0.631 2.802 1.00 . A A . 6 VAL N 1 1 20 2940 1 1 6 VAL O O -3.771 -1.823 2.892 1.00 . A A . 6 VAL O 1 1 20 2941 1 1 7 GLY C C -2.861 -2.433 -0.814 1.00 . A A . 7 GLY C 1 1 20 2942 1 1 7 GLY CA C -3.509 -1.487 0.175 1.00 . A A . 7 GLY CA 1 1 20 2943 1 1 7 GLY H H -1.758 -0.502 0.883 1.00 . A A . 7 GLY H 1 1 20 2944 1 1 7 GLY HA2 H -4.253 -1.968 0.639 1.00 . A A . 7 GLY HA2 1 1 20 2945 1 1 7 GLY HA3 H -3.879 -0.704 -0.325 1.00 . A A . 7 GLY HA3 1 1 20 2946 1 1 7 GLY N N -2.574 -1.002 1.173 1.00 . A A . 7 GLY N 1 1 20 2947 1 1 7 GLY O O -3.508 -3.347 -1.328 1.00 . A A . 7 GLY O 1 1 20 2948 1 1 8 HIS C C -0.466 -4.386 -1.380 1.00 . A A . 8 HIS C 1 1 20 2949 1 1 8 HIS CA C -0.841 -3.055 -2.024 1.00 . A A . 8 HIS CA 1 1 20 2950 1 1 8 HIS CB C 0.417 -2.334 -2.507 1.00 . A A . 8 HIS CB 1 1 20 2951 1 1 8 HIS CD2 C -0.590 -1.586 -4.780 1.00 . A A . 8 HIS CD2 1 1 20 2952 1 1 8 HIS CE1 C 1.209 -1.841 -6.003 1.00 . A A . 8 HIS CE1 1 1 20 2953 1 1 8 HIS CG C 0.419 -2.033 -3.980 1.00 . A A . 8 HIS CG 1 1 20 2954 1 1 8 HIS H H -1.105 -1.457 -0.636 1.00 . A A . 8 HIS H 1 1 20 2955 1 1 8 HIS HA H -1.437 -3.245 -2.804 1.00 . A A . 8 HIS HA 1 1 20 2956 1 1 8 HIS HB2 H 0.497 -1.470 -2.010 1.00 . A A . 8 HIS HB2 1 1 20 2957 1 1 8 HIS HB3 H 1.209 -2.909 -2.304 1.00 . A A . 8 HIS HB3 1 1 20 2958 1 1 8 HIS HD2 H -1.527 -1.381 -4.498 1.00 . A A . 8 HIS HD2 1 1 20 2959 1 1 8 HIS HE1 H 1.829 -1.854 -6.788 1.00 . A A . 8 HIS HE1 1 1 20 2960 1 1 8 HIS HE2 H -0.546 -1.168 -6.885 1.00 . A A . 8 HIS HE2 1 1 20 2961 1 1 8 HIS N N -1.577 -2.215 -1.086 1.00 . A A . 8 HIS N 1 1 20 2962 1 1 8 HIS ND1 N 1.546 -2.188 -4.770 1.00 . A A . 8 HIS ND1 1 1 20 2963 1 1 8 HIS NE2 N -0.072 -1.470 -6.058 1.00 . A A . 8 HIS NE2 1 1 20 2964 1 1 8 HIS O O -0.176 -5.363 -2.073 1.00 . A A . 8 HIS O 1 1 20 2965 1 1 9 LEU C C -1.280 -6.055 1.595 1.00 . A A . 9 LEU C 1 1 20 2966 1 1 9 LEU CA C -0.131 -5.630 0.685 1.00 . A A . 9 LEU CA 1 1 20 2967 1 1 9 LEU CB C 1.136 -5.408 1.513 1.00 . A A . 9 LEU CB 1 1 20 2968 1 1 9 LEU CD1 C 3.634 -5.327 1.704 1.00 . A A . 9 LEU CD1 1 1 20 2969 1 1 9 LEU CD2 C 2.548 -7.061 0.265 1.00 . A A . 9 LEU CD2 1 1 20 2970 1 1 9 LEU CG C 2.461 -5.633 0.785 1.00 . A A . 9 LEU CG 1 1 20 2971 1 1 9 LEU H H -0.714 -3.592 0.455 1.00 . A A . 9 LEU H 1 1 20 2972 1 1 9 LEU HA H 0.032 -6.363 0.024 1.00 . A A . 9 LEU HA 1 1 20 2973 1 1 9 LEU HB2 H 1.125 -4.464 1.843 1.00 . A A . 9 LEU HB2 1 1 20 2974 1 1 9 LEU HB3 H 1.106 -6.033 2.293 1.00 . A A . 9 LEU HB3 1 1 20 2975 1 1 9 LEU HD11 H 3.586 -4.373 2.001 1.00 . A A . 9 LEU HD11 1 1 20 2976 1 1 9 LEU HD12 H 3.598 -5.927 2.503 1.00 . A A . 9 LEU HD12 1 1 20 2977 1 1 9 LEU HD13 H 4.491 -5.480 1.211 1.00 . A A . 9 LEU HD13 1 1 20 2978 1 1 9 LEU HD21 H 1.790 -7.224 -0.366 1.00 . A A . 9 LEU HD21 1 1 20 2979 1 1 9 LEU HD22 H 3.415 -7.207 -0.211 1.00 . A A . 9 LEU HD22 1 1 20 2980 1 1 9 LEU HD23 H 2.481 -7.693 1.037 1.00 . A A . 9 LEU HD23 1 1 20 2981 1 1 9 LEU HG H 2.503 -5.032 -0.013 1.00 . A A . 9 LEU HG 1 1 20 2982 1 1 9 LEU N N -0.471 -4.419 -0.052 1.00 . A A . 9 LEU N 1 1 20 2983 1 1 9 LEU O O -1.961 -7.044 1.331 1.00 . A A . 9 LEU O 1 1 20 2984 1 1 10 MET C C -3.774 -4.715 3.353 1.00 . A A . 10 MET C 1 1 20 2985 1 1 10 MET CA C -2.556 -5.595 3.615 1.00 . A A . 10 MET CA 1 1 20 2986 1 1 10 MET CB C -2.065 -5.391 5.050 1.00 . A A . 10 MET CB 1 1 20 2987 1 1 10 MET CE C 0.581 -2.830 6.430 1.00 . A A . 10 MET CE 1 1 20 2988 1 1 10 MET CG C -1.727 -3.946 5.378 1.00 . A A . 10 MET CG 1 1 20 2989 1 1 10 MET H H -0.897 -4.507 2.830 1.00 . A A . 10 MET H 1 1 20 2990 1 1 10 MET HA H -2.831 -6.547 3.477 1.00 . A A . 10 MET HA 1 1 20 2991 1 1 10 MET HB2 H -2.782 -5.697 5.677 1.00 . A A . 10 MET HB2 1 1 20 2992 1 1 10 MET HB3 H -1.244 -5.946 5.186 1.00 . A A . 10 MET HB3 1 1 20 2993 1 1 10 MET HE1 H 1.085 -3.347 5.738 1.00 . A A . 10 MET HE1 1 1 20 2994 1 1 10 MET HE2 H 0.277 -1.961 6.040 1.00 . A A . 10 MET HE2 1 1 20 2995 1 1 10 MET HE3 H 1.176 -2.654 7.214 1.00 . A A . 10 MET HE3 1 1 20 2996 1 1 10 MET HG2 H -1.155 -3.582 4.643 1.00 . A A . 10 MET HG2 1 1 20 2997 1 1 10 MET HG3 H -2.580 -3.426 5.424 1.00 . A A . 10 MET HG3 1 1 20 2998 1 1 10 MET N N -1.487 -5.298 2.668 1.00 . A A . 10 MET N 1 1 20 2999 1 1 10 MET O O -4.900 -5.207 3.259 1.00 . A A . 10 MET O 1 1 20 3000 1 1 10 MET SD S -0.850 -3.776 6.944 1.00 . A A . 10 MET SD 1 1 stop_ save_
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