NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
553937 | 2lz5 | 18736 | cing | 4-filtered-FRED | STAR | entry | full | 140 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2lz5 # This FRED archive file contains, for PDB entry <2lz5>: # # - 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_2lz5 _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 2lz5 _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all disulfide bound" _Assembly.Molecular_mass 1740.98 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 $Conotoxin_TxIB A . 1 1 stop_ save_ save_Conotoxin_TxIB _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "Conotoxin TxIB" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GCCSDPPCRNKHPDLCX _Entity.Number_of_monomers 17 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 CYS . 1 1 3 CYS . 1 1 4 SER . 1 1 5 ASP . 1 1 6 PRO . 1 1 7 PRO . 1 1 8 CYS . 1 1 9 ARG . 1 1 10 ASN . 1 1 11 LYS . 1 1 12 HIS . 1 1 13 PRO . 1 1 14 ASP . 1 1 15 LEU . 1 1 16 CYS . 1 1 17 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 CYS 2 2 1 1 CYS 3 3 1 1 SER 4 4 1 1 ASP 5 5 1 1 PRO 6 6 1 1 PRO 7 7 1 1 CYS 8 8 1 1 ARG 9 9 1 1 ASN 10 10 1 1 LYS 11 11 1 1 HIS 12 12 1 1 PRO 13 13 1 1 ASP 14 14 1 1 LEU 15 15 1 1 CYS 16 16 1 1 NH2 17 17 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_CNS/XPLOR_distance_constraints_2_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 132 1 . . . 1 1 133 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 1 GLY QA . 1 . HA# 1 1 1 1 2 1 1 3 CYS H . 3 . HN 1 1 2 1 1 1 1 2 CYS H . 2 . HN 1 1 2 1 2 1 1 2 CYS HB2 . 2 . HB2 1 1 3 1 1 1 1 2 CYS H . 2 . HN 1 1 3 1 2 1 1 2 CYS QB . 2 . HB# 1 1 4 1 1 1 1 2 CYS H . 2 . HN 1 1 4 1 2 1 1 2 CYS HB3 . 2 . HB1 1 1 5 1 1 1 1 2 CYS H . 2 . HN 1 1 5 1 2 1 1 15 LEU QD . 15 . HD# 1 1 6 1 1 1 1 2 CYS QB . 2 . HB# 1 1 6 1 2 1 1 3 CYS H . 3 . HN 1 1 7 1 1 1 1 2 CYS HB2 . 2 . HB2 1 1 7 1 2 1 1 3 CYS H . 3 . HN 1 1 8 1 1 1 1 2 CYS HB3 . 2 . HB1 1 1 8 1 2 1 1 3 CYS H . 3 . HN 1 1 9 1 1 1 1 3 CYS H . 3 . HN 1 1 9 1 2 1 1 3 CYS HB2 . 3 . HB2 1 1 10 1 1 1 1 3 CYS H . 3 . HN 1 1 10 1 2 1 1 3 CYS QB . 3 . HB# 1 1 11 1 1 1 1 3 CYS H . 3 . HN 1 1 11 1 2 1 1 3 CYS HB3 . 3 . HB1 1 1 12 1 1 1 1 3 CYS H . 3 . HN 1 1 12 1 2 1 1 4 SER H . 4 . HN 1 1 13 1 1 1 1 3 CYS H . 3 . HN 1 1 13 1 2 1 1 5 ASP H . 5 . HN 1 1 14 1 1 1 1 3 CYS HA . 3 . HA 1 1 14 1 2 1 1 5 ASP H . 5 . HN 1 1 15 1 1 1 1 3 CYS HA . 3 . HA 1 1 15 1 2 1 1 9 ARG HA . 9 . HA 1 1 16 1 1 1 1 3 CYS HA . 3 . HA 1 1 16 1 2 1 1 9 ARG QB . 9 . HB# 1 1 17 1 1 1 1 3 CYS HA . 3 . HA 1 1 17 1 2 1 1 9 ARG HG3 . 9 . HG1 1 1 18 1 1 1 1 3 CYS QB . 3 . HB# 1 1 18 1 2 1 1 4 SER H . 4 . HN 1 1 19 1 1 1 1 3 CYS HB2 . 3 . HB2 1 1 19 1 2 1 1 4 SER H . 4 . HN 1 1 20 1 1 1 1 3 CYS HB3 . 3 . HB1 1 1 20 1 2 1 1 4 SER H . 4 . HN 1 1 21 1 1 1 1 4 SER H . 4 . HN 1 1 21 1 2 1 1 4 SER HB2 . 4 . HB2 1 1 22 1 1 1 1 4 SER H . 4 . HN 1 1 22 1 2 1 1 4 SER QB . 4 . HB# 1 1 23 1 1 1 1 4 SER H . 4 . HN 1 1 23 1 2 1 1 4 SER HB3 . 4 . HB1 1 1 24 1 1 1 1 4 SER H . 4 . HN 1 1 24 1 2 1 1 5 ASP QB . 5 . HB# 1 1 25 1 1 1 1 4 SER QB . 4 . HB# 1 1 25 1 2 1 1 5 ASP H . 5 . HN 1 1 26 1 1 1 1 4 SER HB2 . 4 . HB2 1 1 26 1 2 1 1 5 ASP H . 5 . HN 1 1 27 1 1 1 1 4 SER HB3 . 4 . HB1 1 1 27 1 2 1 1 5 ASP H . 5 . HN 1 1 28 1 1 1 1 5 ASP H . 5 . HN 1 1 28 1 2 1 1 5 ASP HB2 . 5 . HB2 1 1 29 1 1 1 1 5 ASP H . 5 . HN 1 1 29 1 2 1 1 5 ASP QB . 5 . HB# 1 1 30 1 1 1 1 5 ASP H . 5 . HN 1 1 30 1 2 1 1 5 ASP HB3 . 5 . HB1 1 1 31 1 1 1 1 5 ASP H . 5 . HN 1 1 31 1 2 1 1 6 PRO QD . 6 . HD# 1 1 32 1 1 1 1 5 ASP H . 5 . HN 1 1 32 1 2 1 1 9 ARG QB . 9 . HB# 1 1 33 1 1 1 1 5 ASP H . 5 . HN 1 1 33 1 2 1 1 9 ARG QG . 9 . HG# 1 1 34 1 1 1 1 5 ASP HA . 5 . HA 1 1 34 1 2 1 1 6 PRO QD . 6 . HD# 1 1 35 1 1 1 1 5 ASP HA . 5 . HA 1 1 35 1 2 1 1 6 PRO HG2 . 6 . HG2 1 1 36 1 1 1 1 5 ASP HA . 5 . HA 1 1 36 1 2 1 1 6 PRO HG3 . 6 . HG1 1 1 37 1 1 1 1 5 ASP HA . 5 . HA 1 1 37 1 2 1 1 7 PRO QD . 7 . HD# 1 1 38 1 1 1 1 6 PRO HA . 6 . HA 1 1 38 1 2 1 1 9 ARG H . 9 . HN 1 1 39 1 1 1 1 6 PRO HA . 6 . HA 1 1 39 1 2 1 1 9 ARG HB2 . 9 . HB2 1 1 40 1 1 1 1 6 PRO HA . 6 . HA 1 1 40 1 2 1 1 9 ARG HB3 . 9 . HB1 1 1 41 1 1 1 1 6 PRO HA . 6 . HA 1 1 41 1 2 1 1 9 ARG QG . 9 . HG# 1 1 42 1 1 1 1 6 PRO HA . 6 . HA 1 1 42 1 2 1 1 10 ASN H . 10 . HN 1 1 43 1 1 1 1 8 CYS H . 8 . HN 1 1 43 1 2 1 1 8 CYS QB . 8 . HB# 1 1 44 1 1 1 1 8 CYS H . 8 . HN 1 1 44 1 2 1 1 9 ARG H . 9 . HN 1 1 45 1 1 1 1 9 ARG H . 9 . HN 1 1 45 1 2 1 1 9 ARG HB2 . 9 . HB2 1 1 46 1 1 1 1 9 ARG H . 9 . HN 1 1 46 1 2 1 1 9 ARG HB3 . 9 . HB1 1 1 47 1 1 1 1 9 ARG H . 9 . HN 1 1 47 1 2 1 1 9 ARG HG2 . 9 . HG2 1 1 48 1 1 1 1 9 ARG H . 9 . HN 1 1 48 1 2 1 1 9 ARG QG . 9 . HG# 1 1 49 1 1 1 1 9 ARG H . 9 . HN 1 1 49 1 2 1 1 9 ARG HG3 . 9 . HG1 1 1 50 1 1 1 1 9 ARG HA . 9 . HA 1 1 50 1 2 1 1 11 LYS H . 11 . HN 1 1 51 1 1 1 1 9 ARG HA . 9 . HA 1 1 51 1 2 1 1 12 HIS H . 12 . HN 1 1 52 1 1 1 1 9 ARG HA . 9 . HA 1 1 52 1 2 1 1 12 HIS HB2 . 12 . HB2 1 1 53 1 1 1 1 9 ARG HA . 9 . HA 1 1 53 1 2 1 1 12 HIS HB3 . 12 . HB1 1 1 54 1 1 1 1 9 ARG HA . 9 . HA 1 1 54 1 2 1 1 16 CYS QB . 16 . HB# 1 1 55 1 1 1 1 9 ARG QB . 9 . HB# 1 1 55 1 2 1 1 9 ARG HE . 9 . HE 1 1 56 1 1 1 1 9 ARG QB . 9 . HB# 1 1 56 1 2 1 1 9 ARG QG . 9 . HG# 1 1 57 1 1 1 1 9 ARG QB . 9 . HB# 1 1 57 1 2 1 1 10 ASN H . 10 . HN 1 1 58 1 1 1 1 9 ARG HB2 . 9 . HB2 1 1 58 1 2 1 1 9 ARG HE . 9 . HE 1 1 59 1 1 1 1 9 ARG HB2 . 9 . HB2 1 1 59 1 2 1 1 10 ASN H . 10 . HN 1 1 60 1 1 1 1 9 ARG HB3 . 9 . HB1 1 1 60 1 2 1 1 9 ARG HE . 9 . HE 1 1 61 1 1 1 1 9 ARG HB3 . 9 . HB1 1 1 61 1 2 1 1 10 ASN H . 10 . HN 1 1 62 1 1 1 1 9 ARG QD . 9 . HD# 1 1 62 1 2 1 1 10 ASN H . 10 . HN 1 1 63 1 1 1 1 9 ARG QG . 9 . HG# 1 1 63 1 2 1 1 10 ASN H . 10 . HN 1 1 64 1 1 1 1 9 ARG QG . 9 . HG# 1 1 64 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 65 1 1 1 1 9 ARG QG . 9 . HG# 1 1 65 1 2 1 1 16 CYS QB . 16 . HB# 1 1 66 1 1 1 1 9 ARG HG2 . 9 . HG2 1 1 66 1 2 1 1 10 ASN H . 10 . HN 1 1 67 1 1 1 1 9 ARG HG3 . 9 . HG1 1 1 67 1 2 1 1 10 ASN H . 10 . HN 1 1 68 1 1 1 1 10 ASN H . 10 . HN 1 1 68 1 2 1 1 10 ASN HA . 10 . HA 1 1 69 1 1 1 1 10 ASN H . 10 . HN 1 1 69 1 2 1 1 10 ASN QB . 10 . HB# 1 1 70 1 1 1 1 10 ASN H . 10 . HN 1 1 70 1 2 1 1 11 LYS H . 11 . HN 1 1 71 1 1 1 1 10 ASN HA . 10 . HA 1 1 71 1 2 1 1 11 LYS H . 11 . HN 1 1 72 1 1 1 1 10 ASN HA . 10 . HA 1 1 72 1 2 1 1 12 HIS H . 12 . HN 1 1 73 1 1 1 1 10 ASN QB . 10 . HB# 1 1 73 1 2 1 1 11 LYS H . 11 . HN 1 1 74 1 1 1 1 10 ASN QD . 10 . HD2# 1 1 74 1 2 1 1 13 PRO QB . 13 . HB# 1 1 75 1 1 1 1 11 LYS H . 11 . HN 1 1 75 1 2 1 1 11 LYS HA . 11 . HA 1 1 76 1 1 1 1 11 LYS H . 11 . HN 1 1 76 1 2 1 1 11 LYS HB2 . 11 . HB2 1 1 77 1 1 1 1 11 LYS H . 11 . HN 1 1 77 1 2 1 1 11 LYS QB . 11 . HB# 1 1 78 1 1 1 1 11 LYS H . 11 . HN 1 1 78 1 2 1 1 11 LYS HB3 . 11 . HB1 1 1 79 1 1 1 1 11 LYS H . 11 . HN 1 1 79 1 2 1 1 11 LYS HG2 . 11 . HG2 1 1 80 1 1 1 1 11 LYS H . 11 . HN 1 1 80 1 2 1 1 11 LYS QG . 11 . HG# 1 1 81 1 1 1 1 11 LYS H . 11 . HN 1 1 81 1 2 1 1 11 LYS HG3 . 11 . HG1 1 1 82 1 1 1 1 11 LYS H . 11 . HN 1 1 82 1 2 1 1 12 HIS H . 12 . HN 1 1 83 1 1 1 1 11 LYS QB . 11 . HB# 1 1 83 1 2 1 1 11 LYS QG . 11 . HG# 1 1 84 1 1 1 1 11 LYS QB . 11 . HB# 1 1 84 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 85 1 1 1 1 11 LYS QB . 11 . HB# 1 1 85 1 2 1 1 12 HIS HE1 . 12 . HE1 1 1 86 1 1 1 1 11 LYS HB2 . 11 . HB2 1 1 86 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 87 1 1 1 1 11 LYS HB2 . 11 . HB2 1 1 87 1 2 1 1 12 HIS HE1 . 12 . HE1 1 1 88 1 1 1 1 11 LYS HB3 . 11 . HB1 1 1 88 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 89 1 1 1 1 11 LYS HB3 . 11 . HB1 1 1 89 1 2 1 1 12 HIS HE1 . 12 . HE1 1 1 90 1 1 1 1 11 LYS QG . 11 . HG# 1 1 90 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 91 1 1 1 1 12 HIS H . 12 . HN 1 1 91 1 2 1 1 12 HIS HB2 . 12 . HB2 1 1 92 1 1 1 1 12 HIS H . 12 . HN 1 1 92 1 2 1 1 13 PRO QD . 13 . HD# 1 1 93 1 1 1 1 12 HIS HA . 12 . HA 1 1 93 1 2 1 1 13 PRO HD2 . 13 . HD2 1 1 94 1 1 1 1 12 HIS HA . 12 . HA 1 1 94 1 2 1 1 13 PRO QD . 13 . HD# 1 1 95 1 1 1 1 12 HIS HA . 12 . HA 1 1 95 1 2 1 1 13 PRO HD3 . 13 . HD1 1 1 96 1 1 1 1 12 HIS HA . 12 . HA 1 1 96 1 2 1 1 14 ASP H . 14 . HN 1 1 97 1 1 1 1 12 HIS QB . 12 . HB# 1 1 97 1 2 1 1 15 LEU QB . 15 . HB# 1 1 98 1 1 1 1 12 HIS QB . 12 . HB# 1 1 98 1 2 1 1 15 LEU QD . 15 . HD# 1 1 99 1 1 1 1 12 HIS QB . 12 . HB# 1 1 99 1 2 1 1 15 LEU HG . 15 . HG 1 1 100 1 1 1 1 12 HIS HB2 . 12 . HB2 1 1 100 1 2 1 1 12 HIS HD2 . 12 . HD2 1 1 101 1 1 1 1 12 HIS HB2 . 12 . HB2 1 1 101 1 2 1 1 15 LEU MD1 . 15 . HD1# 1 1 102 1 1 1 1 12 HIS HB2 . 12 . HB2 1 1 102 1 2 1 1 15 LEU MD2 . 15 . HD2# 1 1 103 1 1 1 1 12 HIS HB3 . 12 . HB1 1 1 103 1 2 1 1 15 LEU MD1 . 15 . HD1# 1 1 104 1 1 1 1 12 HIS HB3 . 12 . HB1 1 1 104 1 2 1 1 15 LEU MD2 . 15 . HD2# 1 1 105 1 1 1 1 12 HIS HD2 . 12 . HD2 1 1 105 1 2 1 1 15 LEU MD1 . 15 . HD1# 1 1 106 1 1 1 1 12 HIS HD2 . 12 . HD2 1 1 106 1 2 1 1 15 LEU QD . 15 . HD# 1 1 107 1 1 1 1 12 HIS HD2 . 12 . HD2 1 1 107 1 2 1 1 15 LEU MD2 . 15 . HD2# 1 1 108 1 1 1 1 13 PRO HA . 13 . HA 1 1 108 1 2 1 1 16 CYS H . 16 . HN 1 1 109 1 1 1 1 13 PRO QD . 13 . HD# 1 1 109 1 2 1 1 14 ASP H . 14 . HN 1 1 110 1 1 1 1 13 PRO QG . 13 . HG# 1 1 110 1 2 1 1 14 ASP H . 14 . HN 1 1 111 1 1 1 1 13 PRO QG . 13 . HG# 1 1 111 1 2 1 1 15 LEU H . 15 . HN 1 1 112 1 1 1 1 14 ASP H . 14 . HN 1 1 112 1 2 1 1 14 ASP HB2 . 14 . HB2 1 1 113 1 1 1 1 14 ASP H . 14 . HN 1 1 113 1 2 1 1 14 ASP HB3 . 14 . HB1 1 1 114 1 1 1 1 14 ASP H . 14 . HN 1 1 114 1 2 1 1 15 LEU H . 15 . HN 1 1 115 1 1 1 1 14 ASP H . 14 . HN 1 1 115 1 2 1 1 16 CYS H . 16 . HN 1 1 116 1 1 1 1 14 ASP QB . 14 . HB# 1 1 116 1 2 1 1 15 LEU H . 15 . HN 1 1 117 1 1 1 1 15 LEU H . 15 . HN 1 1 117 1 2 1 1 15 LEU HA . 15 . HA 1 1 118 1 1 1 1 15 LEU H . 15 . HN 1 1 118 1 2 1 1 15 LEU QB . 15 . HB# 1 1 119 1 1 1 1 15 LEU H . 15 . HN 1 1 119 1 2 1 1 15 LEU MD1 . 15 . HD1# 1 1 120 1 1 1 1 15 LEU H . 15 . HN 1 1 120 1 2 1 1 15 LEU MD2 . 15 . HD2# 1 1 121 1 1 1 1 15 LEU H . 15 . HN 1 1 121 1 2 1 1 15 LEU HG . 15 . HG 1 1 122 1 1 1 1 15 LEU HA . 15 . HA 1 1 122 1 2 1 1 15 LEU MD1 . 15 . HD1# 1 1 123 1 1 1 1 15 LEU HA . 15 . HA 1 1 123 1 2 1 1 15 LEU MD2 . 15 . HD2# 1 1 124 1 1 1 1 15 LEU QB . 15 . HB# 1 1 124 1 2 1 1 16 CYS H . 16 . HN 1 1 125 1 1 1 1 15 LEU QB . 15 . HB# 1 1 125 1 2 1 1 16 CYS HA . 16 . HA 1 1 126 1 1 1 1 15 LEU MD1 . 15 . HD1# 1 1 126 1 2 1 1 16 CYS H . 16 . HN 1 1 127 1 1 1 1 15 LEU MD2 . 15 . HD2# 1 1 127 1 2 1 1 16 CYS H . 16 . HN 1 1 128 1 1 1 1 15 LEU HG . 15 . HG 1 1 128 1 2 1 1 16 CYS H . 16 . HN 1 1 129 1 1 1 1 15 LEU HG . 15 . HG 1 1 129 1 2 1 1 16 CYS HA . 16 . HA 1 1 130 1 1 1 1 15 LEU HG . 15 . HG 1 1 130 1 2 1 1 16 CYS QB . 16 . HB# 1 1 131 1 1 1 1 16 CYS H . 16 . HN 1 1 131 1 2 1 1 16 CYS HB2 . 16 . HB2 1 1 132 1 1 1 1 16 CYS H . 16 . HN 1 1 132 1 2 1 1 16 CYS QB . 16 . HB# 1 1 133 1 1 1 1 16 CYS H . 16 . HN 1 1 133 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.425 1.8 5.05 1 1 2 1 . . . . . 2.27 1.8 2.74 1 1 3 1 . . . . . 2.09 1.8 2.38 1 1 4 1 . . . . . 2.27 1.8 2.74 1 1 5 1 . . . . . 4.11 1.8 6.42 1 1 6 1 . . . . . 2.235 1.8 2.67 1 1 7 1 . . . . . 2.58 1.8 3.36 1 1 8 1 . . . . . 2.58 1.8 3.36 1 1 9 1 . . . . . 2.425 1.8 3.05 1 1 10 1 . . . . . 2.17 1.8 2.54 1 1 11 1 . . . . . 2.425 1.8 3.05 1 1 12 1 . . . . . 2.44 1.8 3.08 1 1 13 1 . . . . . 2.89 1.8 3.98 1 1 14 1 . . . . . 2.815 1.8 3.83 1 1 15 1 . . . . . 2.675 1.8 3.55 1 1 16 1 . . . . . 3.165 1.8 4.53 1 1 17 1 . . . . . 3.65 1.8 5.5 1 1 18 1 . . . . . 2.645 1.8 3.49 1 1 19 1 . . . . . 3.03 1.8 4.26 1 1 20 1 . . . . . 3.03 1.8 4.26 1 1 21 1 . . . . . 2.625 1.8 3.45 1 1 22 1 . . . . . 2.36 1.8 2.92 1 1 23 1 . . . . . 2.625 1.8 3.45 1 1 24 1 . . . . . 3.165 1.8 4.53 1 1 25 1 . . . . . 2.825 1.8 3.85 1 1 26 1 . . . . . 3.14 1.8 4.48 1 1 27 1 . . . . . 3.14 1.8 4.48 1 1 28 1 . . . . . 2.455 1.8 3.11 1 1 29 1 . . . . . 2.255 1.8 2.71 1 1 30 1 . . . . . 2.455 1.8 3.11 1 1 31 1 . . . . . 3.34 1.8 4.88 1 1 32 1 . . . . . 2.84 1.8 3.88 1 1 33 1 . . . . . 3.57 1.8 5.34 1 1 34 1 . . . . . 2.255 1.8 2.71 1 1 35 1 . . . . . 3.65 1.8 5.5 1 1 36 1 . . . . . 3.65 1.8 5.5 1 1 37 1 . . . . . 4.095 1.8 6.39 1 1 38 1 . . . . . 2.61 1.8 3.42 1 1 39 1 . . . . . 2.61 1.8 3.42 1 1 40 1 . . . . . 2.61 1.8 3.42 1 1 41 1 . . . . . 3.44 1.8 5.08 1 1 42 1 . . . . . 2.72 1.8 3.64 1 1 43 1 . . . . . 2.88 1.8 3.96 1 1 44 1 . . . . . 2.24 1.8 2.68 1 1 45 1 . . . . . 2.3 1.8 2.8 1 1 46 1 . . . . . 2.3 1.8 2.8 1 1 47 1 . . . . . 3.4 1.8 5.0 1 1 48 1 . . . . . 2.99 1.8 4.18 1 1 49 1 . . . . . 3.4 1.8 5.0 1 1 50 1 . . . . . 3.215 1.8 4.63 1 1 51 1 . . . . . 2.86 1.8 3.92 1 1 52 1 . . . . . 3.045 1.8 4.29 1 1 53 1 . . . . . 3.045 1.8 4.29 1 1 54 1 . . . . . 3.57 1.8 5.34 1 1 55 1 . . . . . 3.09 1.8 4.38 1 1 56 1 . . . . . 2.06 1.8 2.32 1 1 57 1 . . . . . 2.245 1.8 2.69 1 1 58 1 . . . . . 3.435 1.8 5.07 1 1 59 1 . . . . . 2.565 1.8 3.33 1 1 60 1 . . . . . 3.435 1.8 5.07 1 1 61 1 . . . . . 2.565 1.8 3.33 1 1 62 1 . . . . . 4.09 1.8 6.38 1 1 63 1 . . . . . 3.115 1.8 4.43 1 1 64 1 . . . . . 3.53 1.8 5.26 1 1 65 1 . . . . . 3.225 1.8 4.65 1 1 66 1 . . . . . 3.48 1.8 5.16 1 1 67 1 . . . . . 3.48 1.8 5.16 1 1 68 1 . . . . . 2.315 1.8 2.83 1 1 69 1 . . . . . 2.76 1.8 3.72 1 1 70 1 . . . . . 2.365 1.8 2.93 1 1 71 1 . . . . . 2.595 1.8 3.39 1 1 72 1 . . . . . 2.705 1.8 3.61 1 1 73 1 . . . . . 3.19 1.8 4.58 1 1 74 1 . . . . . 3.98 1.8 6.16 1 1 75 1 . . . . . 2.365 1.8 2.93 1 1 76 1 . . . . . 2.595 1.8 3.39 1 1 77 1 . . . . . 2.27 1.8 2.74 1 1 78 1 . . . . . 2.595 1.8 3.39 1 1 79 1 . . . . . 3.42 1.8 5.04 1 1 80 1 . . . . . 3.03 1.8 4.26 1 1 81 1 . . . . . 3.42 1.8 5.04 1 1 82 1 . . . . . 2.3 1.8 2.8 1 1 83 1 . . . . . 1.99 1.8 2.18 1 1 84 1 . . . . . 2.59 1.8 3.38 1 1 85 1 . . . . . 3.01 1.8 4.22 1 1 86 1 . . . . . 2.875 1.8 3.95 1 1 87 1 . . . . . 3.31 1.8 4.82 1 1 88 1 . . . . . 2.875 1.8 3.95 1 1 89 1 . . . . . 3.31 1.8 4.82 1 1 90 1 . . . . . 3.57 1.8 5.34 1 1 91 1 . . . . . 2.41 1.8 3.02 1 1 92 1 . . . . . 2.605 1.8 3.41 1 1 93 1 . . . . . 2.72 1.8 3.64 1 1 94 1 . . . . . 2.415 1.8 3.03 1 1 95 1 . . . . . 2.72 1.8 3.64 1 1 96 1 . . . . . 2.735 1.8 3.67 1 1 97 1 . . . . . 3.355 1.8 4.91 1 1 98 1 . . . . . 3.2 1.8 4.6 1 1 99 1 . . . . . 2.975 1.8 4.15 1 1 100 1 . . . . . 2.565 1.8 3.33 1 1 101 1 . . . . . 4.16 1.8 6.52 1 1 102 1 . . . . . 4.16 1.8 6.52 1 1 103 1 . . . . . 4.16 1.8 6.52 1 1 104 1 . . . . . 4.16 1.8 6.52 1 1 105 1 . . . . . 4.13 1.8 6.46 1 1 106 1 . . . . . 3.725 1.8 5.65 1 1 107 1 . . . . . 4.13 1.8 6.46 1 1 108 1 . . . . . 2.705 1.8 3.61 1 1 109 1 . . . . . 2.78 1.8 3.76 1 1 110 1 . . . . . 3.24 1.8 4.68 1 1 111 1 . . . . . 3.875 1.8 5.95 1 1 112 1 . . . . . 2.47 1.8 3.14 1 1 113 1 . . . . . 2.47 1.8 3.14 1 1 114 1 . . . . . 2.315 1.8 2.83 1 1 115 1 . . . . . 3.14 1.8 4.48 1 1 116 1 . . . . . 2.665 1.8 3.53 1 1 117 1 . . . . . 2.285 1.8 2.77 1 1 118 1 . . . . . 2.805 1.8 3.81 1 1 119 1 . . . . . 4.16 1.8 6.52 1 1 120 1 . . . . . 4.16 1.8 6.52 1 1 121 1 . . . . . 2.89 1.8 3.98 1 1 122 1 . . . . . 3.26 1.8 4.72 1 1 123 1 . . . . . 3.26 1.8 4.72 1 1 124 1 . . . . . 3.1 1.8 4.4 1 1 125 1 . . . . . 4.09 1.8 6.38 1 1 126 1 . . . . . 4.16 1.8 6.52 1 1 127 1 . . . . . 4.16 1.8 6.52 1 1 128 1 . . . . . 3.65 1.8 5.5 1 1 129 1 . . . . . 3.65 1.8 5.5 1 1 130 1 . . . . . 2.945 1.8 4.09 1 1 131 1 . . . . . 2.58 1.8 3.36 1 1 132 1 . . . . . 2.245 1.8 2.69 1 1 133 1 . . . . . 2.58 1.8 3.36 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 3 CYS C 1 1 4 SER N 1 1 4 SER CA 1 1 4 SER C -150.0 -89.99999 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 2 . 1 1 4 SER C 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP C -150.0 -89.99999 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 3 . 1 1 9 ARG C 1 1 10 ASN N 1 1 10 ASN CA 1 1 10 ASN C -89.99999 -30.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 4 . 1 1 10 ASN C 1 1 11 LYS N 1 1 11 LYS CA 1 1 11 LYS C -150.0 -89.99999 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 5 . 1 1 11 LYS C 1 1 12 HIS N 1 1 12 HIS CA 1 1 12 HIS C -150.0 -89.99999 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 6 . 1 1 14 ASP C 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C -150.0 -89.99999 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 7 . 1 1 15 LEU C 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C -150.0 -89.99999 . 15 . C . 16 . N . 16 . CA . 16 . C 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 -5.582 3.883 -3.138 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C -6.421 5.118 -3.286 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H -8.116 5.736 -4.313 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H -8.112 4.108 -3.840 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H -7.167 4.598 -5.127 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H -5.802 5.917 -3.665 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H -6.813 5.398 -2.320 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N -7.528 4.889 -4.197 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O -5.968 2.947 -2.433 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 CYS C C -3.052 2.435 -2.395 1.00 . A A . 2 CYS C 1 1 1 11 1 1 2 CYS CA C -3.531 2.742 -3.790 1.00 . A A . 2 CYS CA 1 1 1 12 1 1 2 CYS CB C -2.330 3.046 -4.667 1.00 . A A . 2 CYS CB 1 1 1 13 1 1 2 CYS H H -4.171 4.686 -4.280 1.00 . A A . 2 CYS H 1 1 1 14 1 1 2 CYS HA H -4.051 1.888 -4.198 1.00 . A A . 2 CYS HA 1 1 1 15 1 1 2 CYS HB2 H -2.665 3.494 -5.584 1.00 . A A . 2 CYS HB2 1 1 1 16 1 1 2 CYS HB3 H -1.751 3.792 -4.145 1.00 . A A . 2 CYS HB3 1 1 1 17 1 1 2 CYS N N -4.430 3.882 -3.779 1.00 . A A . 2 CYS N 1 1 1 18 1 1 2 CYS O O -3.220 1.341 -1.898 1.00 . A A . 2 CYS O 1 1 1 19 1 1 2 CYS SG S -1.214 1.623 -4.996 1.00 . A A . 2 CYS SG 1 1 1 20 1 1 3 CYS C C -3.054 3.058 0.668 1.00 . A A . 3 CYS C 1 1 1 21 1 1 3 CYS CA C -1.962 3.241 -0.412 1.00 . A A . 3 CYS CA 1 1 1 22 1 1 3 CYS CB C -1.021 4.396 -0.062 1.00 . A A . 3 CYS CB 1 1 1 23 1 1 3 CYS H H -2.537 4.301 -2.190 1.00 . A A . 3 CYS H 1 1 1 24 1 1 3 CYS HA H -1.387 2.327 -0.450 1.00 . A A . 3 CYS HA 1 1 1 25 1 1 3 CYS HB2 H -0.377 4.594 -0.906 1.00 . A A . 3 CYS HB2 1 1 1 26 1 1 3 CYS HB3 H -1.611 5.277 0.143 1.00 . A A . 3 CYS HB3 1 1 1 27 1 1 3 CYS N N -2.537 3.427 -1.740 1.00 . A A . 3 CYS N 1 1 1 28 1 1 3 CYS O O -2.759 2.834 1.848 1.00 . A A . 3 CYS O 1 1 1 29 1 1 3 CYS SG S 0.047 4.088 1.393 1.00 . A A . 3 CYS SG 1 1 1 30 1 1 4 SER C C -5.921 1.501 0.927 1.00 . A A . 4 SER C 1 1 1 31 1 1 4 SER CA C -5.395 2.930 1.169 1.00 . A A . 4 SER CA 1 1 1 32 1 1 4 SER CB C -6.492 3.985 0.943 1.00 . A A . 4 SER CB 1 1 1 33 1 1 4 SER H H -4.483 3.468 -0.641 1.00 . A A . 4 SER H 1 1 1 34 1 1 4 SER HA H -5.025 3.006 2.179 1.00 . A A . 4 SER HA 1 1 1 35 1 1 4 SER HB2 H -6.051 4.970 0.990 1.00 . A A . 4 SER HB2 1 1 1 36 1 1 4 SER HB3 H -6.927 3.836 -0.035 1.00 . A A . 4 SER HB3 1 1 1 37 1 1 4 SER HG H -7.118 3.818 2.794 1.00 . A A . 4 SER HG 1 1 1 38 1 1 4 SER N N -4.297 3.176 0.278 1.00 . A A . 4 SER N 1 1 1 39 1 1 4 SER O O -6.640 0.930 1.760 1.00 . A A . 4 SER O 1 1 1 40 1 1 4 SER OG O -7.522 3.912 1.923 1.00 . A A . 4 SER OG 1 1 1 41 1 1 5 ASP C C -4.809 -1.392 -0.241 1.00 . A A . 5 ASP C 1 1 1 42 1 1 5 ASP CA C -5.918 -0.415 -0.590 1.00 . A A . 5 ASP CA 1 1 1 43 1 1 5 ASP CB C -6.196 -0.439 -2.103 1.00 . A A . 5 ASP CB 1 1 1 44 1 1 5 ASP CG C -6.634 -1.789 -2.617 1.00 . A A . 5 ASP CG 1 1 1 45 1 1 5 ASP H H -4.870 1.389 -0.771 1.00 . A A . 5 ASP H 1 1 1 46 1 1 5 ASP HA H -6.819 -0.671 -0.054 1.00 . A A . 5 ASP HA 1 1 1 47 1 1 5 ASP HB2 H -6.973 0.274 -2.335 1.00 . A A . 5 ASP HB2 1 1 1 48 1 1 5 ASP HB3 H -5.295 -0.151 -2.623 1.00 . A A . 5 ASP HB3 1 1 1 49 1 1 5 ASP N N -5.509 0.922 -0.188 1.00 . A A . 5 ASP N 1 1 1 50 1 1 5 ASP O O -3.716 -1.266 -0.753 1.00 . A A . 5 ASP O 1 1 1 51 1 1 5 ASP OD1 O -7.783 -2.201 -2.331 1.00 . A A . 5 ASP OD1 1 1 1 52 1 1 5 ASP OD2 O -5.855 -2.444 -3.341 1.00 . A A . 5 ASP OD2 1 1 1 53 1 1 6 PRO C C -3.149 -3.975 0.062 1.00 . A A . 6 PRO C 1 1 1 54 1 1 6 PRO CA C -4.055 -3.318 1.142 1.00 . A A . 6 PRO CA 1 1 1 55 1 1 6 PRO CB C -4.838 -4.339 1.973 1.00 . A A . 6 PRO CB 1 1 1 56 1 1 6 PRO CD C -6.392 -2.628 1.267 1.00 . A A . 6 PRO CD 1 1 1 57 1 1 6 PRO CG C -6.095 -3.629 2.359 1.00 . A A . 6 PRO CG 1 1 1 58 1 1 6 PRO HA H -3.362 -2.793 1.782 1.00 . A A . 6 PRO HA 1 1 1 59 1 1 6 PRO HB2 H -5.033 -5.230 1.395 1.00 . A A . 6 PRO HB2 1 1 1 60 1 1 6 PRO HB3 H -4.261 -4.602 2.848 1.00 . A A . 6 PRO HB3 1 1 1 61 1 1 6 PRO HD2 H -7.075 -3.048 0.544 1.00 . A A . 6 PRO HD2 1 1 1 62 1 1 6 PRO HD3 H -6.802 -1.727 1.698 1.00 . A A . 6 PRO HD3 1 1 1 63 1 1 6 PRO HG2 H -6.906 -4.337 2.446 1.00 . A A . 6 PRO HG2 1 1 1 64 1 1 6 PRO HG3 H -5.947 -3.118 3.299 1.00 . A A . 6 PRO HG3 1 1 1 65 1 1 6 PRO N N -5.074 -2.367 0.652 1.00 . A A . 6 PRO N 1 1 1 66 1 1 6 PRO O O -1.934 -3.913 0.206 1.00 . A A . 6 PRO O 1 1 1 67 1 1 7 PRO C C -1.960 -4.108 -2.805 1.00 . A A . 7 PRO C 1 1 1 68 1 1 7 PRO CA C -2.811 -5.168 -2.087 1.00 . A A . 7 PRO CA 1 1 1 69 1 1 7 PRO CB C -3.808 -5.796 -3.062 1.00 . A A . 7 PRO CB 1 1 1 70 1 1 7 PRO CD C -5.101 -4.801 -1.358 1.00 . A A . 7 PRO CD 1 1 1 71 1 1 7 PRO CG C -5.040 -5.981 -2.264 1.00 . A A . 7 PRO CG 1 1 1 72 1 1 7 PRO HA H -2.162 -5.928 -1.678 1.00 . A A . 7 PRO HA 1 1 1 73 1 1 7 PRO HB2 H -3.966 -5.135 -3.902 1.00 . A A . 7 PRO HB2 1 1 1 74 1 1 7 PRO HB3 H -3.418 -6.744 -3.402 1.00 . A A . 7 PRO HB3 1 1 1 75 1 1 7 PRO HD2 H -5.523 -3.952 -1.876 1.00 . A A . 7 PRO HD2 1 1 1 76 1 1 7 PRO HD3 H -5.671 -5.026 -0.469 1.00 . A A . 7 PRO HD3 1 1 1 77 1 1 7 PRO HG2 H -5.907 -6.017 -2.907 1.00 . A A . 7 PRO HG2 1 1 1 78 1 1 7 PRO HG3 H -4.964 -6.889 -1.686 1.00 . A A . 7 PRO HG3 1 1 1 79 1 1 7 PRO N N -3.676 -4.579 -1.041 1.00 . A A . 7 PRO N 1 1 1 80 1 1 7 PRO O O -0.878 -4.389 -3.309 1.00 . A A . 7 PRO O 1 1 1 81 1 1 8 CYS C C -0.909 -1.040 -2.361 1.00 . A A . 8 CYS C 1 1 1 82 1 1 8 CYS CA C -1.766 -1.776 -3.429 1.00 . A A . 8 CYS CA 1 1 1 83 1 1 8 CYS CB C -2.852 -0.836 -4.007 1.00 . A A . 8 CYS CB 1 1 1 84 1 1 8 CYS H H -3.285 -2.716 -2.323 1.00 . A A . 8 CYS H 1 1 1 85 1 1 8 CYS HA H -1.139 -2.145 -4.226 1.00 . A A . 8 CYS HA 1 1 1 86 1 1 8 CYS HB2 H -3.733 -1.421 -4.224 1.00 . A A . 8 CYS HB2 1 1 1 87 1 1 8 CYS HB3 H -3.103 -0.109 -3.248 1.00 . A A . 8 CYS HB3 1 1 1 88 1 1 8 CYS N N -2.436 -2.889 -2.788 1.00 . A A . 8 CYS N 1 1 1 89 1 1 8 CYS O O -0.336 0.018 -2.602 1.00 . A A . 8 CYS O 1 1 1 90 1 1 8 CYS SG S -2.430 0.087 -5.549 1.00 . A A . 8 CYS SG 1 1 1 91 1 1 9 ARG C C 0.996 -1.958 0.412 1.00 . A A . 9 ARG C 1 1 1 92 1 1 9 ARG CA C -0.086 -1.016 -0.086 1.00 . A A . 9 ARG CA 1 1 1 93 1 1 9 ARG CB C -1.061 -0.763 1.035 1.00 . A A . 9 ARG CB 1 1 1 94 1 1 9 ARG CD C -1.562 0.198 3.264 1.00 . A A . 9 ARG CD 1 1 1 95 1 1 9 ARG CG C -0.540 0.098 2.149 1.00 . A A . 9 ARG CG 1 1 1 96 1 1 9 ARG CZ C -2.979 -1.503 4.426 1.00 . A A . 9 ARG CZ 1 1 1 97 1 1 9 ARG H H -1.291 -2.472 -1.019 1.00 . A A . 9 ARG H 1 1 1 98 1 1 9 ARG HA H 0.351 -0.079 -0.398 1.00 . A A . 9 ARG HA 1 1 1 99 1 1 9 ARG HB2 H -1.965 -0.348 0.623 1.00 . A A . 9 ARG HB2 1 1 1 100 1 1 9 ARG HB3 H -1.317 -1.726 1.454 1.00 . A A . 9 ARG HB3 1 1 1 101 1 1 9 ARG HD2 H -1.186 0.862 4.028 1.00 . A A . 9 ARG HD2 1 1 1 102 1 1 9 ARG HD3 H -2.478 0.597 2.856 1.00 . A A . 9 ARG HD3 1 1 1 103 1 1 9 ARG HE H -1.076 -1.741 3.815 1.00 . A A . 9 ARG HE 1 1 1 104 1 1 9 ARG HG2 H 0.377 -0.336 2.517 1.00 . A A . 9 ARG HG2 1 1 1 105 1 1 9 ARG HG3 H -0.347 1.081 1.745 1.00 . A A . 9 ARG HG3 1 1 1 106 1 1 9 ARG HH11 H -4.006 0.264 4.170 1.00 . A A . 9 ARG HH11 1 1 1 107 1 1 9 ARG HH12 H -4.876 -0.963 4.958 1.00 . A A . 9 ARG HH12 1 1 1 108 1 1 9 ARG HH21 H -2.309 -3.381 4.875 1.00 . A A . 9 ARG HH21 1 1 1 109 1 1 9 ARG HH22 H -3.910 -3.058 5.364 1.00 . A A . 9 ARG HH22 1 1 1 110 1 1 9 ARG N N -0.816 -1.626 -1.178 1.00 . A A . 9 ARG N 1 1 1 111 1 1 9 ARG NE N -1.836 -1.114 3.852 1.00 . A A . 9 ARG NE 1 1 1 112 1 1 9 ARG NH1 N -4.020 -0.676 4.518 1.00 . A A . 9 ARG NH1 1 1 1 113 1 1 9 ARG NH2 N -3.072 -2.728 4.917 1.00 . A A . 9 ARG NH2 1 1 1 114 1 1 9 ARG O O 2.150 -1.590 0.528 1.00 . A A . 9 ARG O 1 1 1 115 1 1 10 ASN C C 2.586 -4.619 0.255 1.00 . A A . 10 ASN C 1 1 1 116 1 1 10 ASN CA C 1.480 -4.221 1.230 1.00 . A A . 10 ASN CA 1 1 1 117 1 1 10 ASN CB C 0.658 -5.440 1.699 1.00 . A A . 10 ASN CB 1 1 1 118 1 1 10 ASN CG C 1.509 -6.591 2.217 1.00 . A A . 10 ASN CG 1 1 1 119 1 1 10 ASN H H -0.360 -3.371 0.547 1.00 . A A . 10 ASN H 1 1 1 120 1 1 10 ASN HA H 1.966 -3.788 2.089 1.00 . A A . 10 ASN HA 1 1 1 121 1 1 10 ASN HB2 H -0.006 -5.131 2.493 1.00 . A A . 10 ASN HB2 1 1 1 122 1 1 10 ASN HB3 H 0.065 -5.794 0.870 1.00 . A A . 10 ASN HB3 1 1 1 123 1 1 10 ASN HD21 H 1.343 -7.534 0.486 1.00 . A A . 10 ASN HD21 1 1 1 124 1 1 10 ASN HD22 H 2.285 -8.335 1.685 1.00 . A A . 10 ASN HD22 1 1 1 125 1 1 10 ASN N N 0.595 -3.174 0.688 1.00 . A A . 10 ASN N 1 1 1 126 1 1 10 ASN ND2 N 1.735 -7.580 1.388 1.00 . A A . 10 ASN ND2 1 1 1 127 1 1 10 ASN O O 3.648 -5.084 0.654 1.00 . A A . 10 ASN O 1 1 1 128 1 1 10 ASN OD1 O 1.903 -6.611 3.387 1.00 . A A . 10 ASN OD1 1 1 1 129 1 1 11 LYS C C 4.238 -3.467 -2.225 1.00 . A A . 11 LYS C 1 1 1 130 1 1 11 LYS CA C 3.337 -4.669 -2.019 1.00 . A A . 11 LYS CA 1 1 1 131 1 1 11 LYS CB C 2.624 -5.010 -3.315 1.00 . A A . 11 LYS CB 1 1 1 132 1 1 11 LYS CD C 1.216 -6.686 -4.567 1.00 . A A . 11 LYS CD 1 1 1 133 1 1 11 LYS CE C 0.395 -7.959 -4.427 1.00 . A A . 11 LYS CE 1 1 1 134 1 1 11 LYS CG C 1.858 -6.318 -3.246 1.00 . A A . 11 LYS CG 1 1 1 135 1 1 11 LYS H H 1.502 -4.017 -1.304 1.00 . A A . 11 LYS H 1 1 1 136 1 1 11 LYS HA H 3.923 -5.521 -1.710 1.00 . A A . 11 LYS HA 1 1 1 137 1 1 11 LYS HB2 H 1.934 -4.202 -3.523 1.00 . A A . 11 LYS HB2 1 1 1 138 1 1 11 LYS HB3 H 3.333 -5.025 -4.121 1.00 . A A . 11 LYS HB3 1 1 1 139 1 1 11 LYS HD2 H 0.568 -5.879 -4.878 1.00 . A A . 11 LYS HD2 1 1 1 140 1 1 11 LYS HD3 H 1.988 -6.842 -5.305 1.00 . A A . 11 LYS HD3 1 1 1 141 1 1 11 LYS HE2 H 1.036 -8.743 -4.052 1.00 . A A . 11 LYS HE2 1 1 1 142 1 1 11 LYS HE3 H -0.399 -7.780 -3.717 1.00 . A A . 11 LYS HE3 1 1 1 143 1 1 11 LYS HG2 H 2.537 -7.108 -2.958 1.00 . A A . 11 LYS HG2 1 1 1 144 1 1 11 LYS HG3 H 1.088 -6.217 -2.496 1.00 . A A . 11 LYS HG3 1 1 1 145 1 1 11 LYS HZ1 H -0.791 -9.238 -5.546 1.00 . A A . 11 LYS HZ1 1 1 1 146 1 1 11 LYS HZ2 H 0.534 -8.662 -6.399 1.00 . A A . 11 LYS HZ2 1 1 1 147 1 1 11 LYS HZ3 H -0.798 -7.668 -6.136 1.00 . A A . 11 LYS HZ3 1 1 1 148 1 1 11 LYS N N 2.358 -4.383 -1.007 1.00 . A A . 11 LYS N 1 1 1 149 1 1 11 LYS NZ N -0.195 -8.401 -5.710 1.00 . A A . 11 LYS NZ 1 1 1 150 1 1 11 LYS O O 5.175 -3.500 -3.031 1.00 . A A . 11 LYS O 1 1 1 151 1 1 12 HIS C C 5.083 -0.645 -0.198 1.00 . A A . 12 HIS C 1 1 1 152 1 1 12 HIS CA C 4.656 -1.156 -1.595 1.00 . A A . 12 HIS CA 1 1 1 153 1 1 12 HIS CB C 3.686 -0.153 -2.267 1.00 . A A . 12 HIS CB 1 1 1 154 1 1 12 HIS CD2 C 2.101 -1.312 -3.947 1.00 . A A . 12 HIS CD2 1 1 1 155 1 1 12 HIS CE1 C 3.185 -0.976 -5.777 1.00 . A A . 12 HIS CE1 1 1 1 156 1 1 12 HIS CG C 3.201 -0.596 -3.620 1.00 . A A . 12 HIS CG 1 1 1 157 1 1 12 HIS H H 3.302 -2.501 -0.751 1.00 . A A . 12 HIS H 1 1 1 158 1 1 12 HIS HA H 5.516 -1.296 -2.232 1.00 . A A . 12 HIS HA 1 1 1 159 1 1 12 HIS HB2 H 2.815 -0.068 -1.632 1.00 . A A . 12 HIS HB2 1 1 1 160 1 1 12 HIS HB3 H 4.133 0.823 -2.354 1.00 . A A . 12 HIS HB3 1 1 1 161 1 1 12 HIS HD1 H 4.723 0.103 -4.907 1.00 . A A . 12 HIS HD1 1 1 1 162 1 1 12 HIS HD2 H 1.357 -1.658 -3.243 1.00 . A A . 12 HIS HD2 1 1 1 163 1 1 12 HIS HE1 H 3.491 -1.026 -6.809 1.00 . A A . 12 HIS HE1 1 1 1 164 1 1 12 HIS N N 3.975 -2.429 -1.463 1.00 . A A . 12 HIS N 1 1 1 165 1 1 12 HIS ND1 N 3.877 -0.387 -4.799 1.00 . A A . 12 HIS ND1 1 1 1 166 1 1 12 HIS NE2 N 2.092 -1.550 -5.313 1.00 . A A . 12 HIS NE2 1 1 1 167 1 1 12 HIS O O 4.709 0.466 0.210 1.00 . A A . 12 HIS O 1 1 1 168 1 1 13 PRO C C 7.277 0.003 2.118 1.00 . A A . 13 PRO C 1 1 1 169 1 1 13 PRO CA C 6.274 -1.131 1.931 1.00 . A A . 13 PRO CA 1 1 1 170 1 1 13 PRO CB C 6.872 -2.447 2.404 1.00 . A A . 13 PRO CB 1 1 1 171 1 1 13 PRO CD C 6.709 -2.584 0.024 1.00 . A A . 13 PRO CD 1 1 1 172 1 1 13 PRO CG C 7.550 -2.994 1.201 1.00 . A A . 13 PRO CG 1 1 1 173 1 1 13 PRO HA H 5.387 -0.919 2.509 1.00 . A A . 13 PRO HA 1 1 1 174 1 1 13 PRO HB2 H 7.567 -2.261 3.210 1.00 . A A . 13 PRO HB2 1 1 1 175 1 1 13 PRO HB3 H 6.081 -3.101 2.740 1.00 . A A . 13 PRO HB3 1 1 1 176 1 1 13 PRO HD2 H 7.334 -2.303 -0.810 1.00 . A A . 13 PRO HD2 1 1 1 177 1 1 13 PRO HD3 H 6.039 -3.382 -0.261 1.00 . A A . 13 PRO HD3 1 1 1 178 1 1 13 PRO HG2 H 8.543 -2.577 1.116 1.00 . A A . 13 PRO HG2 1 1 1 179 1 1 13 PRO HG3 H 7.602 -4.071 1.266 1.00 . A A . 13 PRO HG3 1 1 1 180 1 1 13 PRO N N 5.943 -1.414 0.527 1.00 . A A . 13 PRO N 1 1 1 181 1 1 13 PRO O O 7.673 0.315 3.244 1.00 . A A . 13 PRO O 1 1 1 182 1 1 14 ASP C C 7.887 2.990 1.386 1.00 . A A . 14 ASP C 1 1 1 183 1 1 14 ASP CA C 8.634 1.705 1.094 1.00 . A A . 14 ASP CA 1 1 1 184 1 1 14 ASP CB C 9.420 1.828 -0.205 1.00 . A A . 14 ASP CB 1 1 1 185 1 1 14 ASP CG C 10.354 3.000 -0.205 1.00 . A A . 14 ASP CG 1 1 1 186 1 1 14 ASP H H 7.373 0.270 0.164 1.00 . A A . 14 ASP H 1 1 1 187 1 1 14 ASP HA H 9.320 1.511 1.906 1.00 . A A . 14 ASP HA 1 1 1 188 1 1 14 ASP HB2 H 9.998 0.930 -0.366 1.00 . A A . 14 ASP HB2 1 1 1 189 1 1 14 ASP HB3 H 8.723 1.956 -1.019 1.00 . A A . 14 ASP HB3 1 1 1 190 1 1 14 ASP N N 7.702 0.597 1.030 1.00 . A A . 14 ASP N 1 1 1 191 1 1 14 ASP O O 8.226 3.732 2.305 1.00 . A A . 14 ASP O 1 1 1 192 1 1 14 ASP OD1 O 11.450 2.912 0.382 1.00 . A A . 14 ASP OD1 1 1 1 193 1 1 14 ASP OD2 O 10.020 4.041 -0.802 1.00 . A A . 14 ASP OD2 1 1 1 194 1 1 15 LEU C C 4.921 4.124 1.798 1.00 . A A . 15 LEU C 1 1 1 195 1 1 15 LEU CA C 6.047 4.408 0.824 1.00 . A A . 15 LEU CA 1 1 1 196 1 1 15 LEU CB C 5.491 5.026 -0.492 1.00 . A A . 15 LEU CB 1 1 1 197 1 1 15 LEU CD1 C 3.808 5.078 -2.351 1.00 . A A . 15 LEU CD1 1 1 1 198 1 1 15 LEU CD2 C 5.284 3.114 -2.154 1.00 . A A . 15 LEU CD2 1 1 1 199 1 1 15 LEU CG C 4.533 4.181 -1.371 1.00 . A A . 15 LEU CG 1 1 1 200 1 1 15 LEU H H 6.634 2.608 -0.088 1.00 . A A . 15 LEU H 1 1 1 201 1 1 15 LEU HA H 6.722 5.112 1.279 1.00 . A A . 15 LEU HA 1 1 1 202 1 1 15 LEU HB2 H 4.962 5.929 -0.225 1.00 . A A . 15 LEU HB2 1 1 1 203 1 1 15 LEU HB3 H 6.335 5.311 -1.100 1.00 . A A . 15 LEU HB3 1 1 1 204 1 1 15 LEU HD11 H 3.231 5.814 -1.810 1.00 . A A . 15 LEU HD11 1 1 1 205 1 1 15 LEU HD12 H 3.147 4.480 -2.961 1.00 . A A . 15 LEU HD12 1 1 1 206 1 1 15 LEU HD13 H 4.528 5.576 -2.983 1.00 . A A . 15 LEU HD13 1 1 1 207 1 1 15 LEU HD21 H 6.129 3.559 -2.656 1.00 . A A . 15 LEU HD21 1 1 1 208 1 1 15 LEU HD22 H 4.615 2.725 -2.906 1.00 . A A . 15 LEU HD22 1 1 1 209 1 1 15 LEU HD23 H 5.604 2.307 -1.514 1.00 . A A . 15 LEU HD23 1 1 1 210 1 1 15 LEU HG H 3.798 3.698 -0.742 1.00 . A A . 15 LEU HG 1 1 1 211 1 1 15 LEU N N 6.850 3.235 0.624 1.00 . A A . 15 LEU N 1 1 1 212 1 1 15 LEU O O 4.471 5.007 2.523 1.00 . A A . 15 LEU O 1 1 1 213 1 1 16 CYS C C 3.899 1.364 3.565 1.00 . A A . 16 CYS C 1 1 1 214 1 1 16 CYS CA C 3.425 2.504 2.670 1.00 . A A . 16 CYS CA 1 1 1 215 1 1 16 CYS CB C 2.289 2.040 1.803 1.00 . A A . 16 CYS CB 1 1 1 216 1 1 16 CYS H H 4.774 2.182 1.228 1.00 . A A . 16 CYS H 1 1 1 217 1 1 16 CYS HA H 3.091 3.344 3.259 1.00 . A A . 16 CYS HA 1 1 1 218 1 1 16 CYS HB2 H 2.602 1.154 1.270 1.00 . A A . 16 CYS HB2 1 1 1 219 1 1 16 CYS HB3 H 1.480 1.793 2.459 1.00 . A A . 16 CYS HB3 1 1 1 220 1 1 16 CYS N N 4.467 2.900 1.818 1.00 . A A . 16 CYS N 1 1 1 221 1 1 16 CYS O O 3.791 0.196 3.205 1.00 . A A . 16 CYS O 1 1 1 222 1 1 16 CYS SG S 1.711 3.268 0.574 1.00 . A A . 16 CYS SG 1 1 1 223 1 1 17 NH2 HN1 H 4.503 2.643 4.942 1.00 . A A . 17 NH2 HN1 1 1 1 224 1 1 17 NH2 HN2 H 4.767 0.972 5.288 1.00 . A A . 17 NH2 HN2 1 1 1 225 1 1 17 NH2 N N 4.442 1.694 4.709 1.00 . A A . 17 NH2 N 1 1 2 226 1 1 1 GLY C C -5.316 3.493 -3.976 1.00 . A A . 1 GLY C 1 1 2 227 1 1 1 GLY CA C -6.017 4.806 -4.139 1.00 . A A . 1 GLY CA 1 1 2 228 1 1 1 GLY H1 H -7.866 3.950 -4.333 1.00 . A A . 1 GLY H1 1 1 2 229 1 1 1 GLY H2 H -7.937 5.569 -3.857 1.00 . A A . 1 GLY H2 1 1 2 230 1 1 1 GLY H3 H -7.469 4.368 -2.759 1.00 . A A . 1 GLY H3 1 1 2 231 1 1 1 GLY HA2 H -5.963 5.101 -5.176 1.00 . A A . 1 GLY HA2 1 1 2 232 1 1 1 GLY HA3 H -5.537 5.557 -3.531 1.00 . A A . 1 GLY HA3 1 1 2 233 1 1 1 GLY N N -7.413 4.681 -3.748 1.00 . A A . 1 GLY N 1 1 2 234 1 1 1 GLY O O -5.956 2.442 -4.058 1.00 . A A . 1 GLY O 1 1 2 235 1 1 2 CYS C C -2.579 2.308 -2.241 1.00 . A A . 2 CYS C 1 1 2 236 1 1 2 CYS CA C -3.238 2.329 -3.598 1.00 . A A . 2 CYS CA 1 1 2 237 1 1 2 CYS CB C -2.159 2.339 -4.653 1.00 . A A . 2 CYS CB 1 1 2 238 1 1 2 CYS H H -3.585 4.407 -3.652 1.00 . A A . 2 CYS H 1 1 2 239 1 1 2 CYS HA H -3.865 1.463 -3.743 1.00 . A A . 2 CYS HA 1 1 2 240 1 1 2 CYS HB2 H -2.580 2.712 -5.569 1.00 . A A . 2 CYS HB2 1 1 2 241 1 1 2 CYS HB3 H -1.426 3.065 -4.331 1.00 . A A . 2 CYS HB3 1 1 2 242 1 1 2 CYS N N -4.031 3.535 -3.731 1.00 . A A . 2 CYS N 1 1 2 243 1 1 2 CYS O O -2.512 1.288 -1.567 1.00 . A A . 2 CYS O 1 1 2 244 1 1 2 CYS SG S -1.293 0.749 -4.892 1.00 . A A . 2 CYS SG 1 1 2 245 1 1 3 CYS C C -2.316 3.278 0.633 1.00 . A A . 3 CYS C 1 1 2 246 1 1 3 CYS CA C -1.414 3.613 -0.576 1.00 . A A . 3 CYS CA 1 1 2 247 1 1 3 CYS CB C -0.846 5.029 -0.459 1.00 . A A . 3 CYS CB 1 1 2 248 1 1 3 CYS H H -2.271 4.223 -2.432 1.00 . A A . 3 CYS H 1 1 2 249 1 1 3 CYS HA H -0.593 2.910 -0.586 1.00 . A A . 3 CYS HA 1 1 2 250 1 1 3 CYS HB2 H -0.418 5.319 -1.406 1.00 . A A . 3 CYS HB2 1 1 2 251 1 1 3 CYS HB3 H -1.646 5.709 -0.205 1.00 . A A . 3 CYS HB3 1 1 2 252 1 1 3 CYS N N -2.129 3.457 -1.832 1.00 . A A . 3 CYS N 1 1 2 253 1 1 3 CYS O O -1.834 2.900 1.701 1.00 . A A . 3 CYS O 1 1 2 254 1 1 3 CYS SG S 0.447 5.193 0.807 1.00 . A A . 3 CYS SG 1 1 2 255 1 1 4 SER C C -5.360 1.814 1.026 1.00 . A A . 4 SER C 1 1 2 256 1 1 4 SER CA C -4.561 3.064 1.473 1.00 . A A . 4 SER CA 1 1 2 257 1 1 4 SER CB C -5.488 4.278 1.722 1.00 . A A . 4 SER CB 1 1 2 258 1 1 4 SER H H -3.950 3.739 -0.411 1.00 . A A . 4 SER H 1 1 2 259 1 1 4 SER HA H -4.016 2.834 2.376 1.00 . A A . 4 SER HA 1 1 2 260 1 1 4 SER HB2 H -4.881 5.165 1.819 1.00 . A A . 4 SER HB2 1 1 2 261 1 1 4 SER HB3 H -6.153 4.395 0.879 1.00 . A A . 4 SER HB3 1 1 2 262 1 1 4 SER HG H -5.623 4.155 3.633 1.00 . A A . 4 SER HG 1 1 2 263 1 1 4 SER N N -3.612 3.397 0.446 1.00 . A A . 4 SER N 1 1 2 264 1 1 4 SER O O -6.425 1.504 1.561 1.00 . A A . 4 SER O 1 1 2 265 1 1 4 SER OG O -6.268 4.129 2.911 1.00 . A A . 4 SER OG 1 1 2 266 1 1 5 ASP C C -4.600 -1.322 -0.159 1.00 . A A . 5 ASP C 1 1 2 267 1 1 5 ASP CA C -5.471 -0.115 -0.455 1.00 . A A . 5 ASP CA 1 1 2 268 1 1 5 ASP CB C -5.716 -0.002 -1.965 1.00 . A A . 5 ASP CB 1 1 2 269 1 1 5 ASP CG C -6.440 -1.198 -2.540 1.00 . A A . 5 ASP CG 1 1 2 270 1 1 5 ASP H H -3.947 1.331 -0.314 1.00 . A A . 5 ASP H 1 1 2 271 1 1 5 ASP HA H -6.417 -0.228 0.053 1.00 . A A . 5 ASP HA 1 1 2 272 1 1 5 ASP HB2 H -6.302 0.881 -2.172 1.00 . A A . 5 ASP HB2 1 1 2 273 1 1 5 ASP HB3 H -4.758 0.084 -2.459 1.00 . A A . 5 ASP HB3 1 1 2 274 1 1 5 ASP N N -4.824 1.089 0.061 1.00 . A A . 5 ASP N 1 1 2 275 1 1 5 ASP O O -3.617 -1.548 -0.845 1.00 . A A . 5 ASP O 1 1 2 276 1 1 5 ASP OD1 O -7.619 -1.423 -2.165 1.00 . A A . 5 ASP OD1 1 1 2 277 1 1 5 ASP OD2 O -5.864 -1.929 -3.379 1.00 . A A . 5 ASP OD2 1 1 2 278 1 1 6 PRO C C -3.565 -4.198 0.270 1.00 . A A . 6 PRO C 1 1 2 279 1 1 6 PRO CA C -4.141 -3.252 1.373 1.00 . A A . 6 PRO CA 1 1 2 280 1 1 6 PRO CB C -5.083 -3.980 2.335 1.00 . A A . 6 PRO CB 1 1 2 281 1 1 6 PRO CD C -6.141 -1.902 1.742 1.00 . A A . 6 PRO CD 1 1 2 282 1 1 6 PRO CG C -5.970 -2.905 2.860 1.00 . A A . 6 PRO CG 1 1 2 283 1 1 6 PRO HA H -3.287 -2.892 1.927 1.00 . A A . 6 PRO HA 1 1 2 284 1 1 6 PRO HB2 H -5.636 -4.746 1.814 1.00 . A A . 6 PRO HB2 1 1 2 285 1 1 6 PRO HB3 H -4.510 -4.429 3.132 1.00 . A A . 6 PRO HB3 1 1 2 286 1 1 6 PRO HD2 H -7.035 -2.119 1.179 1.00 . A A . 6 PRO HD2 1 1 2 287 1 1 6 PRO HD3 H -6.175 -0.897 2.135 1.00 . A A . 6 PRO HD3 1 1 2 288 1 1 6 PRO HG2 H -6.927 -3.321 3.140 1.00 . A A . 6 PRO HG2 1 1 2 289 1 1 6 PRO HG3 H -5.505 -2.433 3.714 1.00 . A A . 6 PRO HG3 1 1 2 290 1 1 6 PRO N N -4.939 -2.096 0.901 1.00 . A A . 6 PRO N 1 1 2 291 1 1 6 PRO O O -2.360 -4.511 0.326 1.00 . A A . 6 PRO O 1 1 2 292 1 1 7 PRO C C -2.622 -4.979 -2.519 1.00 . A A . 7 PRO C 1 1 2 293 1 1 7 PRO CA C -3.876 -5.530 -1.827 1.00 . A A . 7 PRO CA 1 1 2 294 1 1 7 PRO CB C -5.042 -5.602 -2.813 1.00 . A A . 7 PRO CB 1 1 2 295 1 1 7 PRO CD C -5.838 -4.405 -0.939 1.00 . A A . 7 PRO CD 1 1 2 296 1 1 7 PRO CG C -6.239 -5.414 -1.967 1.00 . A A . 7 PRO CG 1 1 2 297 1 1 7 PRO HA H -3.661 -6.519 -1.453 1.00 . A A . 7 PRO HA 1 1 2 298 1 1 7 PRO HB2 H -4.942 -4.808 -3.538 1.00 . A A . 7 PRO HB2 1 1 2 299 1 1 7 PRO HB3 H -5.052 -6.560 -3.310 1.00 . A A . 7 PRO HB3 1 1 2 300 1 1 7 PRO HD2 H -6.014 -3.404 -1.307 1.00 . A A . 7 PRO HD2 1 1 2 301 1 1 7 PRO HD3 H -6.379 -4.570 -0.019 1.00 . A A . 7 PRO HD3 1 1 2 302 1 1 7 PRO HG2 H -7.062 -5.047 -2.564 1.00 . A A . 7 PRO HG2 1 1 2 303 1 1 7 PRO HG3 H -6.507 -6.346 -1.492 1.00 . A A . 7 PRO HG3 1 1 2 304 1 1 7 PRO N N -4.380 -4.659 -0.757 1.00 . A A . 7 PRO N 1 1 2 305 1 1 7 PRO O O -1.676 -5.738 -2.792 1.00 . A A . 7 PRO O 1 1 2 306 1 1 8 CYS C C -0.489 -2.414 -2.453 1.00 . A A . 8 CYS C 1 1 2 307 1 1 8 CYS CA C -1.413 -3.127 -3.436 1.00 . A A . 8 CYS CA 1 1 2 308 1 1 8 CYS CB C -1.775 -2.214 -4.612 1.00 . A A . 8 CYS CB 1 1 2 309 1 1 8 CYS H H -3.331 -3.092 -2.530 1.00 . A A . 8 CYS H 1 1 2 310 1 1 8 CYS HA H -0.869 -3.977 -3.818 1.00 . A A . 8 CYS HA 1 1 2 311 1 1 8 CYS HB2 H -0.871 -1.960 -5.145 1.00 . A A . 8 CYS HB2 1 1 2 312 1 1 8 CYS HB3 H -2.436 -2.747 -5.278 1.00 . A A . 8 CYS HB3 1 1 2 313 1 1 8 CYS N N -2.580 -3.678 -2.778 1.00 . A A . 8 CYS N 1 1 2 314 1 1 8 CYS O O 0.653 -2.161 -2.755 1.00 . A A . 8 CYS O 1 1 2 315 1 1 8 CYS SG S -2.579 -0.653 -4.164 1.00 . A A . 8 CYS SG 1 1 2 316 1 1 9 ARG C C 0.969 -2.354 0.149 1.00 . A A . 9 ARG C 1 1 2 317 1 1 9 ARG CA C -0.193 -1.456 -0.227 1.00 . A A . 9 ARG CA 1 1 2 318 1 1 9 ARG CB C -1.084 -1.228 0.986 1.00 . A A . 9 ARG CB 1 1 2 319 1 1 9 ARG CD C 0.635 -0.425 2.695 1.00 . A A . 9 ARG CD 1 1 2 320 1 1 9 ARG CG C -0.649 -0.118 1.936 1.00 . A A . 9 ARG CG 1 1 2 321 1 1 9 ARG CZ C 1.627 -2.267 4.038 1.00 . A A . 9 ARG CZ 1 1 2 322 1 1 9 ARG H H -1.931 -2.303 -1.094 1.00 . A A . 9 ARG H 1 1 2 323 1 1 9 ARG HA H 0.194 -0.512 -0.588 1.00 . A A . 9 ARG HA 1 1 2 324 1 1 9 ARG HB2 H -2.088 -1.052 0.638 1.00 . A A . 9 ARG HB2 1 1 2 325 1 1 9 ARG HB3 H -1.097 -2.154 1.541 1.00 . A A . 9 ARG HB3 1 1 2 326 1 1 9 ARG HD2 H 1.447 -0.476 1.983 1.00 . A A . 9 ARG HD2 1 1 2 327 1 1 9 ARG HD3 H 0.831 0.372 3.395 1.00 . A A . 9 ARG HD3 1 1 2 328 1 1 9 ARG HE H -0.289 -2.160 3.390 1.00 . A A . 9 ARG HE 1 1 2 329 1 1 9 ARG HG2 H -0.451 0.732 1.298 1.00 . A A . 9 ARG HG2 1 1 2 330 1 1 9 ARG HG3 H -1.451 0.109 2.622 1.00 . A A . 9 ARG HG3 1 1 2 331 1 1 9 ARG HH11 H 2.871 -0.639 3.890 1.00 . A A . 9 ARG HH11 1 1 2 332 1 1 9 ARG HH12 H 3.538 -2.017 4.669 1.00 . A A . 9 ARG HH12 1 1 2 333 1 1 9 ARG HH21 H 0.691 -4.042 4.442 1.00 . A A . 9 ARG HH21 1 1 2 334 1 1 9 ARG HH22 H 2.304 -3.942 4.979 1.00 . A A . 9 ARG HH22 1 1 2 335 1 1 9 ARG N N -0.981 -2.120 -1.272 1.00 . A A . 9 ARG N 1 1 2 336 1 1 9 ARG NE N 0.584 -1.700 3.422 1.00 . A A . 9 ARG NE 1 1 2 337 1 1 9 ARG NH1 N 2.758 -1.587 4.207 1.00 . A A . 9 ARG NH1 1 1 2 338 1 1 9 ARG NH2 N 1.532 -3.496 4.518 1.00 . A A . 9 ARG NH2 1 1 2 339 1 1 9 ARG O O 2.080 -1.897 0.354 1.00 . A A . 9 ARG O 1 1 2 340 1 1 10 ASN C C 2.814 -4.696 -0.574 1.00 . A A . 10 ASN C 1 1 2 341 1 1 10 ASN CA C 1.735 -4.642 0.511 1.00 . A A . 10 ASN CA 1 1 2 342 1 1 10 ASN CB C 1.133 -6.039 0.722 1.00 . A A . 10 ASN CB 1 1 2 343 1 1 10 ASN CG C 0.403 -6.201 2.044 1.00 . A A . 10 ASN CG 1 1 2 344 1 1 10 ASN H H -0.252 -3.876 0.118 1.00 . A A . 10 ASN H 1 1 2 345 1 1 10 ASN HA H 2.214 -4.333 1.428 1.00 . A A . 10 ASN HA 1 1 2 346 1 1 10 ASN HB2 H 0.428 -6.232 -0.072 1.00 . A A . 10 ASN HB2 1 1 2 347 1 1 10 ASN HB3 H 1.925 -6.772 0.672 1.00 . A A . 10 ASN HB3 1 1 2 348 1 1 10 ASN HD21 H 0.829 -8.132 2.067 1.00 . A A . 10 ASN HD21 1 1 2 349 1 1 10 ASN HD22 H -0.078 -7.554 3.405 1.00 . A A . 10 ASN HD22 1 1 2 350 1 1 10 ASN N N 0.696 -3.632 0.221 1.00 . A A . 10 ASN N 1 1 2 351 1 1 10 ASN ND2 N 0.382 -7.406 2.552 1.00 . A A . 10 ASN ND2 1 1 2 352 1 1 10 ASN O O 3.887 -5.261 -0.370 1.00 . A A . 10 ASN O 1 1 2 353 1 1 10 ASN OD1 O -0.144 -5.246 2.605 1.00 . A A . 10 ASN OD1 1 1 2 354 1 1 11 LYS C C 4.262 -2.749 -2.706 1.00 . A A . 11 LYS C 1 1 2 355 1 1 11 LYS CA C 3.440 -4.023 -2.827 1.00 . A A . 11 LYS CA 1 1 2 356 1 1 11 LYS CB C 2.626 -3.965 -4.115 1.00 . A A . 11 LYS CB 1 1 2 357 1 1 11 LYS CD C 0.880 -5.006 -5.586 1.00 . A A . 11 LYS CD 1 1 2 358 1 1 11 LYS CE C -0.059 -6.178 -5.778 1.00 . A A . 11 LYS CE 1 1 2 359 1 1 11 LYS CG C 1.734 -5.177 -4.346 1.00 . A A . 11 LYS CG 1 1 2 360 1 1 11 LYS H H 1.664 -3.659 -1.859 1.00 . A A . 11 LYS H 1 1 2 361 1 1 11 LYS HA H 4.074 -4.896 -2.847 1.00 . A A . 11 LYS HA 1 1 2 362 1 1 11 LYS HB2 H 2.011 -3.076 -4.072 1.00 . A A . 11 LYS HB2 1 1 2 363 1 1 11 LYS HB3 H 3.283 -3.828 -4.951 1.00 . A A . 11 LYS HB3 1 1 2 364 1 1 11 LYS HD2 H 0.297 -4.102 -5.496 1.00 . A A . 11 LYS HD2 1 1 2 365 1 1 11 LYS HD3 H 1.523 -4.926 -6.449 1.00 . A A . 11 LYS HD3 1 1 2 366 1 1 11 LYS HE2 H 0.526 -7.079 -5.886 1.00 . A A . 11 LYS HE2 1 1 2 367 1 1 11 LYS HE3 H -0.692 -6.265 -4.906 1.00 . A A . 11 LYS HE3 1 1 2 368 1 1 11 LYS HG2 H 2.357 -6.050 -4.472 1.00 . A A . 11 LYS HG2 1 1 2 369 1 1 11 LYS HG3 H 1.092 -5.308 -3.488 1.00 . A A . 11 LYS HG3 1 1 2 370 1 1 11 LYS HZ1 H -0.340 -5.957 -7.845 1.00 . A A . 11 LYS HZ1 1 1 2 371 1 1 11 LYS HZ2 H -1.494 -5.161 -6.936 1.00 . A A . 11 LYS HZ2 1 1 2 372 1 1 11 LYS HZ3 H -1.545 -6.824 -7.087 1.00 . A A . 11 LYS HZ3 1 1 2 373 1 1 11 LYS N N 2.528 -4.100 -1.717 1.00 . A A . 11 LYS N 1 1 2 374 1 1 11 LYS NZ N -0.903 -6.013 -6.972 1.00 . A A . 11 LYS NZ 1 1 2 375 1 1 11 LYS O O 5.295 -2.583 -3.363 1.00 . A A . 11 LYS O 1 1 2 376 1 1 12 HIS C C 4.628 -0.227 -0.159 1.00 . A A . 12 HIS C 1 1 2 377 1 1 12 HIS CA C 4.405 -0.555 -1.658 1.00 . A A . 12 HIS CA 1 1 2 378 1 1 12 HIS CB C 3.447 0.492 -2.260 1.00 . A A . 12 HIS CB 1 1 2 379 1 1 12 HIS CD2 C 2.130 -0.191 -4.351 1.00 . A A . 12 HIS CD2 1 1 2 380 1 1 12 HIS CE1 C 3.573 0.286 -5.886 1.00 . A A . 12 HIS CE1 1 1 2 381 1 1 12 HIS CG C 3.199 0.326 -3.726 1.00 . A A . 12 HIS CG 1 1 2 382 1 1 12 HIS H H 3.056 -2.107 -1.255 1.00 . A A . 12 HIS H 1 1 2 383 1 1 12 HIS HA H 5.338 -0.510 -2.198 1.00 . A A . 12 HIS HA 1 1 2 384 1 1 12 HIS HB2 H 2.492 0.362 -1.770 1.00 . A A . 12 HIS HB2 1 1 2 385 1 1 12 HIS HB3 H 3.782 1.496 -2.063 1.00 . A A . 12 HIS HB3 1 1 2 386 1 1 12 HIS HD1 H 5.000 1.035 -4.599 1.00 . A A . 12 HIS HD1 1 1 2 387 1 1 12 HIS HD2 H 1.250 -0.559 -3.835 1.00 . A A . 12 HIS HD2 1 1 2 388 1 1 12 HIS HE1 H 4.069 0.362 -6.841 1.00 . A A . 12 HIS HE1 1 1 2 389 1 1 12 HIS N N 3.813 -1.870 -1.834 1.00 . A A . 12 HIS N 1 1 2 390 1 1 12 HIS ND1 N 4.109 0.632 -4.716 1.00 . A A . 12 HIS ND1 1 1 2 391 1 1 12 HIS NE2 N 2.364 -0.216 -5.721 1.00 . A A . 12 HIS NE2 1 1 2 392 1 1 12 HIS O O 4.346 0.898 0.270 1.00 . A A . 12 HIS O 1 1 2 393 1 1 13 PRO C C 6.461 0.121 2.396 1.00 . A A . 13 PRO C 1 1 2 394 1 1 13 PRO CA C 5.383 -0.918 2.106 1.00 . A A . 13 PRO CA 1 1 2 395 1 1 13 PRO CB C 5.803 -2.285 2.639 1.00 . A A . 13 PRO CB 1 1 2 396 1 1 13 PRO CD C 5.853 -2.444 0.262 1.00 . A A . 13 PRO CD 1 1 2 397 1 1 13 PRO CG C 6.535 -2.918 1.510 1.00 . A A . 13 PRO CG 1 1 2 398 1 1 13 PRO HA H 4.452 -0.610 2.560 1.00 . A A . 13 PRO HA 1 1 2 399 1 1 13 PRO HB2 H 6.435 -2.157 3.505 1.00 . A A . 13 PRO HB2 1 1 2 400 1 1 13 PRO HB3 H 4.925 -2.855 2.905 1.00 . A A . 13 PRO HB3 1 1 2 401 1 1 13 PRO HD2 H 6.568 -2.291 -0.532 1.00 . A A . 13 PRO HD2 1 1 2 402 1 1 13 PRO HD3 H 5.094 -3.148 -0.047 1.00 . A A . 13 PRO HD3 1 1 2 403 1 1 13 PRO HG2 H 7.567 -2.598 1.518 1.00 . A A . 13 PRO HG2 1 1 2 404 1 1 13 PRO HG3 H 6.474 -3.994 1.586 1.00 . A A . 13 PRO HG3 1 1 2 405 1 1 13 PRO N N 5.231 -1.150 0.662 1.00 . A A . 13 PRO N 1 1 2 406 1 1 13 PRO O O 6.608 0.600 3.518 1.00 . A A . 13 PRO O 1 1 2 407 1 1 14 ASP C C 7.754 2.786 1.763 1.00 . A A . 14 ASP C 1 1 2 408 1 1 14 ASP CA C 8.269 1.403 1.405 1.00 . A A . 14 ASP CA 1 1 2 409 1 1 14 ASP CB C 8.942 1.440 0.047 1.00 . A A . 14 ASP CB 1 1 2 410 1 1 14 ASP CG C 10.153 2.321 0.013 1.00 . A A . 14 ASP CG 1 1 2 411 1 1 14 ASP H H 6.957 0.018 0.511 1.00 . A A . 14 ASP H 1 1 2 412 1 1 14 ASP HA H 8.989 1.075 2.138 1.00 . A A . 14 ASP HA 1 1 2 413 1 1 14 ASP HB2 H 9.231 0.437 -0.223 1.00 . A A . 14 ASP HB2 1 1 2 414 1 1 14 ASP HB3 H 8.232 1.805 -0.680 1.00 . A A . 14 ASP HB3 1 1 2 415 1 1 14 ASP N N 7.186 0.455 1.358 1.00 . A A . 14 ASP N 1 1 2 416 1 1 14 ASP O O 8.094 3.346 2.803 1.00 . A A . 14 ASP O 1 1 2 417 1 1 14 ASP OD1 O 11.256 1.850 0.374 1.00 . A A . 14 ASP OD1 1 1 2 418 1 1 14 ASP OD2 O 10.045 3.485 -0.397 1.00 . A A . 14 ASP OD2 1 1 2 419 1 1 15 LEU C C 5.071 4.526 1.965 1.00 . A A . 15 LEU C 1 1 2 420 1 1 15 LEU CA C 6.347 4.614 1.141 1.00 . A A . 15 LEU CA 1 1 2 421 1 1 15 LEU CB C 6.104 5.411 -0.178 1.00 . A A . 15 LEU CB 1 1 2 422 1 1 15 LEU CD1 C 4.774 5.951 -2.249 1.00 . A A . 15 LEU CD1 1 1 2 423 1 1 15 LEU CD2 C 5.344 3.586 -1.798 1.00 . A A . 15 LEU CD2 1 1 2 424 1 1 15 LEU CG C 5.000 4.923 -1.158 1.00 . A A . 15 LEU CG 1 1 2 425 1 1 15 LEU H H 6.654 2.809 0.124 1.00 . A A . 15 LEU H 1 1 2 426 1 1 15 LEU HA H 7.098 5.127 1.720 1.00 . A A . 15 LEU HA 1 1 2 427 1 1 15 LEU HB2 H 5.862 6.427 0.096 1.00 . A A . 15 LEU HB2 1 1 2 428 1 1 15 LEU HB3 H 7.041 5.432 -0.718 1.00 . A A . 15 LEU HB3 1 1 2 429 1 1 15 LEU HD11 H 4.470 6.887 -1.804 1.00 . A A . 15 LEU HD11 1 1 2 430 1 1 15 LEU HD12 H 3.998 5.603 -2.915 1.00 . A A . 15 LEU HD12 1 1 2 431 1 1 15 LEU HD13 H 5.688 6.096 -2.805 1.00 . A A . 15 LEU HD13 1 1 2 432 1 1 15 LEU HD21 H 6.326 3.632 -2.243 1.00 . A A . 15 LEU HD21 1 1 2 433 1 1 15 LEU HD22 H 4.621 3.391 -2.577 1.00 . A A . 15 LEU HD22 1 1 2 434 1 1 15 LEU HD23 H 5.294 2.793 -1.068 1.00 . A A . 15 LEU HD23 1 1 2 435 1 1 15 LEU HG H 4.073 4.817 -0.611 1.00 . A A . 15 LEU HG 1 1 2 436 1 1 15 LEU N N 6.899 3.311 0.922 1.00 . A A . 15 LEU N 1 1 2 437 1 1 15 LEU O O 4.754 5.431 2.740 1.00 . A A . 15 LEU O 1 1 2 438 1 1 16 CYS C C 3.386 2.273 3.661 1.00 . A A . 16 CYS C 1 1 2 439 1 1 16 CYS CA C 3.157 3.256 2.528 1.00 . A A . 16 CYS CA 1 1 2 440 1 1 16 CYS CB C 2.115 2.762 1.564 1.00 . A A . 16 CYS CB 1 1 2 441 1 1 16 CYS H H 4.572 2.720 1.200 1.00 . A A . 16 CYS H 1 1 2 442 1 1 16 CYS HA H 2.837 4.207 2.925 1.00 . A A . 16 CYS HA 1 1 2 443 1 1 16 CYS HB2 H 2.424 1.801 1.178 1.00 . A A . 16 CYS HB2 1 1 2 444 1 1 16 CYS HB3 H 1.189 2.653 2.094 1.00 . A A . 16 CYS HB3 1 1 2 445 1 1 16 CYS N N 4.354 3.448 1.818 1.00 . A A . 16 CYS N 1 1 2 446 1 1 16 CYS O O 3.256 1.059 3.490 1.00 . A A . 16 CYS O 1 1 2 447 1 1 16 CYS SG S 1.850 3.882 0.156 1.00 . A A . 16 CYS SG 1 1 2 448 1 1 17 NH2 HN1 H 3.846 3.758 4.858 1.00 . A A . 17 NH2 HN1 1 1 2 449 1 1 17 NH2 HN2 H 3.960 2.177 5.541 1.00 . A A . 17 NH2 HN2 1 1 2 450 1 1 17 NH2 N N 3.765 2.782 4.796 1.00 . A A . 17 NH2 N 1 1 3 451 1 1 1 GLY C C -4.653 4.102 -3.417 1.00 . A A . 1 GLY C 1 1 3 452 1 1 1 GLY CA C -5.064 5.531 -3.659 1.00 . A A . 1 GLY CA 1 1 3 453 1 1 1 GLY H1 H -7.064 5.150 -3.476 1.00 . A A . 1 GLY H1 1 1 3 454 1 1 1 GLY H2 H -6.675 6.770 -3.256 1.00 . A A . 1 GLY H2 1 1 3 455 1 1 1 GLY H3 H -6.334 5.630 -2.034 1.00 . A A . 1 GLY H3 1 1 3 456 1 1 1 GLY HA2 H -5.118 5.703 -4.722 1.00 . A A . 1 GLY HA2 1 1 3 457 1 1 1 GLY HA3 H -4.329 6.192 -3.225 1.00 . A A . 1 GLY HA3 1 1 3 458 1 1 1 GLY N N -6.363 5.798 -3.061 1.00 . A A . 1 GLY N 1 1 3 459 1 1 1 GLY O O -5.397 3.336 -2.811 1.00 . A A . 1 GLY O 1 1 3 460 1 1 2 CYS C C -2.716 2.096 -2.278 1.00 . A A . 2 CYS C 1 1 3 461 1 1 2 CYS CA C -2.920 2.410 -3.725 1.00 . A A . 2 CYS CA 1 1 3 462 1 1 2 CYS CB C -1.577 2.358 -4.420 1.00 . A A . 2 CYS CB 1 1 3 463 1 1 2 CYS H H -2.905 4.446 -4.273 1.00 . A A . 2 CYS H 1 1 3 464 1 1 2 CYS HA H -3.587 1.697 -4.184 1.00 . A A . 2 CYS HA 1 1 3 465 1 1 2 CYS HB2 H -1.677 2.780 -5.402 1.00 . A A . 2 CYS HB2 1 1 3 466 1 1 2 CYS HB3 H -0.913 3.007 -3.866 1.00 . A A . 2 CYS HB3 1 1 3 467 1 1 2 CYS N N -3.465 3.757 -3.848 1.00 . A A . 2 CYS N 1 1 3 468 1 1 2 CYS O O -3.063 1.041 -1.796 1.00 . A A . 2 CYS O 1 1 3 469 1 1 2 CYS SG S -0.792 0.714 -4.487 1.00 . A A . 2 CYS SG 1 1 3 470 1 1 3 CYS C C -3.222 2.926 0.651 1.00 . A A . 3 CYS C 1 1 3 471 1 1 3 CYS CA C -1.924 2.958 -0.174 1.00 . A A . 3 CYS CA 1 1 3 472 1 1 3 CYS CB C -0.999 4.101 0.265 1.00 . A A . 3 CYS CB 1 1 3 473 1 1 3 CYS H H -2.004 3.881 -2.093 1.00 . A A . 3 CYS H 1 1 3 474 1 1 3 CYS HA H -1.411 2.020 -0.027 1.00 . A A . 3 CYS HA 1 1 3 475 1 1 3 CYS HB2 H -0.134 4.102 -0.378 1.00 . A A . 3 CYS HB2 1 1 3 476 1 1 3 CYS HB3 H -1.514 5.040 0.147 1.00 . A A . 3 CYS HB3 1 1 3 477 1 1 3 CYS N N -2.209 3.064 -1.587 1.00 . A A . 3 CYS N 1 1 3 478 1 1 3 CYS O O -3.212 2.623 1.830 1.00 . A A . 3 CYS O 1 1 3 479 1 1 3 CYS SG S -0.407 4.007 1.992 1.00 . A A . 3 CYS SG 1 1 3 480 1 1 4 SER C C -6.179 1.713 0.535 1.00 . A A . 4 SER C 1 1 3 481 1 1 4 SER CA C -5.617 3.137 0.661 1.00 . A A . 4 SER CA 1 1 3 482 1 1 4 SER CB C -6.546 4.107 -0.030 1.00 . A A . 4 SER CB 1 1 3 483 1 1 4 SER H H -4.338 3.451 -0.934 1.00 . A A . 4 SER H 1 1 3 484 1 1 4 SER HA H -5.509 3.418 1.699 1.00 . A A . 4 SER HA 1 1 3 485 1 1 4 SER HB2 H -6.858 3.692 -0.978 1.00 . A A . 4 SER HB2 1 1 3 486 1 1 4 SER HB3 H -7.404 4.272 0.597 1.00 . A A . 4 SER HB3 1 1 3 487 1 1 4 SER HG H -5.109 5.365 0.310 1.00 . A A . 4 SER HG 1 1 3 488 1 1 4 SER N N -4.343 3.193 0.010 1.00 . A A . 4 SER N 1 1 3 489 1 1 4 SER O O -7.195 1.370 1.142 1.00 . A A . 4 SER O 1 1 3 490 1 1 4 SER OG O -5.894 5.352 -0.259 1.00 . A A . 4 SER OG 1 1 3 491 1 1 5 ASP C C -4.808 -1.407 -0.031 1.00 . A A . 5 ASP C 1 1 3 492 1 1 5 ASP CA C -5.907 -0.468 -0.494 1.00 . A A . 5 ASP CA 1 1 3 493 1 1 5 ASP CB C -6.174 -0.666 -1.988 1.00 . A A . 5 ASP CB 1 1 3 494 1 1 5 ASP CG C -6.509 -2.091 -2.347 1.00 . A A . 5 ASP CG 1 1 3 495 1 1 5 ASP H H -4.674 1.215 -0.673 1.00 . A A . 5 ASP H 1 1 3 496 1 1 5 ASP HA H -6.814 -0.665 0.058 1.00 . A A . 5 ASP HA 1 1 3 497 1 1 5 ASP HB2 H -7.007 -0.043 -2.276 1.00 . A A . 5 ASP HB2 1 1 3 498 1 1 5 ASP HB3 H -5.299 -0.365 -2.544 1.00 . A A . 5 ASP HB3 1 1 3 499 1 1 5 ASP N N -5.504 0.903 -0.245 1.00 . A A . 5 ASP N 1 1 3 500 1 1 5 ASP O O -3.727 -1.398 -0.594 1.00 . A A . 5 ASP O 1 1 3 501 1 1 5 ASP OD1 O -7.693 -2.490 -2.217 1.00 . A A . 5 ASP OD1 1 1 3 502 1 1 5 ASP OD2 O -5.616 -2.824 -2.798 1.00 . A A . 5 ASP OD2 1 1 3 503 1 1 6 PRO C C -3.264 -3.994 0.567 1.00 . A A . 6 PRO C 1 1 3 504 1 1 6 PRO CA C -4.041 -3.109 1.590 1.00 . A A . 6 PRO CA 1 1 3 505 1 1 6 PRO CB C -4.796 -3.926 2.642 1.00 . A A . 6 PRO CB 1 1 3 506 1 1 6 PRO CD C -6.325 -2.282 1.771 1.00 . A A . 6 PRO CD 1 1 3 507 1 1 6 PRO CG C -5.968 -3.076 3.005 1.00 . A A . 6 PRO CG 1 1 3 508 1 1 6 PRO HA H -3.284 -2.514 2.079 1.00 . A A . 6 PRO HA 1 1 3 509 1 1 6 PRO HB2 H -5.091 -4.883 2.239 1.00 . A A . 6 PRO HB2 1 1 3 510 1 1 6 PRO HB3 H -4.154 -4.081 3.496 1.00 . A A . 6 PRO HB3 1 1 3 511 1 1 6 PRO HD2 H -7.077 -2.799 1.194 1.00 . A A . 6 PRO HD2 1 1 3 512 1 1 6 PRO HD3 H -6.669 -1.296 2.049 1.00 . A A . 6 PRO HD3 1 1 3 513 1 1 6 PRO HG2 H -6.797 -3.701 3.302 1.00 . A A . 6 PRO HG2 1 1 3 514 1 1 6 PRO HG3 H -5.696 -2.410 3.810 1.00 . A A . 6 PRO HG3 1 1 3 515 1 1 6 PRO N N -5.052 -2.205 1.023 1.00 . A A . 6 PRO N 1 1 3 516 1 1 6 PRO O O -2.044 -3.973 0.601 1.00 . A A . 6 PRO O 1 1 3 517 1 1 7 PRO C C -2.305 -4.716 -2.282 1.00 . A A . 7 PRO C 1 1 3 518 1 1 7 PRO CA C -3.182 -5.576 -1.356 1.00 . A A . 7 PRO CA 1 1 3 519 1 1 7 PRO CB C -4.285 -6.272 -2.162 1.00 . A A . 7 PRO CB 1 1 3 520 1 1 7 PRO CD C -5.382 -4.961 -0.519 1.00 . A A . 7 PRO CD 1 1 3 521 1 1 7 PRO CG C -5.463 -6.259 -1.262 1.00 . A A . 7 PRO CG 1 1 3 522 1 1 7 PRO HA H -2.560 -6.313 -0.870 1.00 . A A . 7 PRO HA 1 1 3 523 1 1 7 PRO HB2 H -4.472 -5.716 -3.070 1.00 . A A . 7 PRO HB2 1 1 3 524 1 1 7 PRO HB3 H -3.984 -7.279 -2.406 1.00 . A A . 7 PRO HB3 1 1 3 525 1 1 7 PRO HD2 H -5.818 -4.165 -1.105 1.00 . A A . 7 PRO HD2 1 1 3 526 1 1 7 PRO HD3 H -5.871 -5.040 0.440 1.00 . A A . 7 PRO HD3 1 1 3 527 1 1 7 PRO HG2 H -6.371 -6.311 -1.844 1.00 . A A . 7 PRO HG2 1 1 3 528 1 1 7 PRO HG3 H -5.408 -7.089 -0.574 1.00 . A A . 7 PRO HG3 1 1 3 529 1 1 7 PRO N N -3.922 -4.768 -0.364 1.00 . A A . 7 PRO N 1 1 3 530 1 1 7 PRO O O -1.251 -5.155 -2.740 1.00 . A A . 7 PRO O 1 1 3 531 1 1 8 CYS C C -0.798 -2.026 -2.566 1.00 . A A . 8 CYS C 1 1 3 532 1 1 8 CYS CA C -1.961 -2.607 -3.393 1.00 . A A . 8 CYS CA 1 1 3 533 1 1 8 CYS CB C -2.867 -1.481 -3.943 1.00 . A A . 8 CYS CB 1 1 3 534 1 1 8 CYS H H -3.604 -3.213 -2.197 1.00 . A A . 8 CYS H 1 1 3 535 1 1 8 CYS HA H -1.555 -3.181 -4.212 1.00 . A A . 8 CYS HA 1 1 3 536 1 1 8 CYS HB2 H -3.795 -1.909 -4.289 1.00 . A A . 8 CYS HB2 1 1 3 537 1 1 8 CYS HB3 H -3.084 -0.795 -3.136 1.00 . A A . 8 CYS HB3 1 1 3 538 1 1 8 CYS N N -2.733 -3.505 -2.553 1.00 . A A . 8 CYS N 1 1 3 539 1 1 8 CYS O O 0.356 -2.039 -2.995 1.00 . A A . 8 CYS O 1 1 3 540 1 1 8 CYS SG S -2.170 -0.499 -5.333 1.00 . A A . 8 CYS SG 1 1 3 541 1 1 9 ARG C C 0.924 -1.936 -0.037 1.00 . A A . 9 ARG C 1 1 3 542 1 1 9 ARG CA C -0.174 -0.968 -0.406 1.00 . A A . 9 ARG CA 1 1 3 543 1 1 9 ARG CB C -0.945 -0.626 0.843 1.00 . A A . 9 ARG CB 1 1 3 544 1 1 9 ARG CD C -1.102 0.526 3.056 1.00 . A A . 9 ARG CD 1 1 3 545 1 1 9 ARG CG C -0.219 0.258 1.844 1.00 . A A . 9 ARG CG 1 1 3 546 1 1 9 ARG CZ C -2.522 -0.890 4.555 1.00 . A A . 9 ARG CZ 1 1 3 547 1 1 9 ARG H H -2.051 -1.694 -1.050 1.00 . A A . 9 ARG H 1 1 3 548 1 1 9 ARG HA H 0.252 -0.065 -0.821 1.00 . A A . 9 ARG HA 1 1 3 549 1 1 9 ARG HB2 H -1.893 -0.216 0.545 1.00 . A A . 9 ARG HB2 1 1 3 550 1 1 9 ARG HB3 H -1.165 -1.565 1.329 1.00 . A A . 9 ARG HB3 1 1 3 551 1 1 9 ARG HD2 H -0.564 1.151 3.754 1.00 . A A . 9 ARG HD2 1 1 3 552 1 1 9 ARG HD3 H -1.995 1.039 2.729 1.00 . A A . 9 ARG HD3 1 1 3 553 1 1 9 ARG HE H -0.894 -1.474 3.506 1.00 . A A . 9 ARG HE 1 1 3 554 1 1 9 ARG HG2 H 0.683 -0.245 2.163 1.00 . A A . 9 ARG HG2 1 1 3 555 1 1 9 ARG HG3 H 0.037 1.194 1.372 1.00 . A A . 9 ARG HG3 1 1 3 556 1 1 9 ARG HH11 H -3.193 1.055 4.510 1.00 . A A . 9 ARG HH11 1 1 3 557 1 1 9 ARG HH12 H -4.099 0.010 5.500 1.00 . A A . 9 ARG HH12 1 1 3 558 1 1 9 ARG HH21 H -2.169 -2.884 4.870 1.00 . A A . 9 ARG HH21 1 1 3 559 1 1 9 ARG HH22 H -3.505 -2.264 5.709 1.00 . A A . 9 ARG HH22 1 1 3 560 1 1 9 ARG N N -1.117 -1.597 -1.350 1.00 . A A . 9 ARG N 1 1 3 561 1 1 9 ARG NE N -1.487 -0.718 3.722 1.00 . A A . 9 ARG NE 1 1 3 562 1 1 9 ARG NH1 N -3.323 0.130 4.871 1.00 . A A . 9 ARG NH1 1 1 3 563 1 1 9 ARG NH2 N -2.747 -2.088 5.074 1.00 . A A . 9 ARG NH2 1 1 3 564 1 1 9 ARG O O 2.063 -1.555 0.177 1.00 . A A . 9 ARG O 1 1 3 565 1 1 10 ASN C C 2.602 -4.431 -0.646 1.00 . A A . 10 ASN C 1 1 3 566 1 1 10 ASN CA C 1.448 -4.306 0.357 1.00 . A A . 10 ASN CA 1 1 3 567 1 1 10 ASN CB C 0.650 -5.624 0.466 1.00 . A A . 10 ASN CB 1 1 3 568 1 1 10 ASN CG C 1.498 -6.843 0.818 1.00 . A A . 10 ASN CG 1 1 3 569 1 1 10 ASN H H -0.427 -3.314 -0.060 1.00 . A A . 10 ASN H 1 1 3 570 1 1 10 ASN HA H 1.889 -4.091 1.316 1.00 . A A . 10 ASN HA 1 1 3 571 1 1 10 ASN HB2 H -0.104 -5.513 1.231 1.00 . A A . 10 ASN HB2 1 1 3 572 1 1 10 ASN HB3 H 0.160 -5.809 -0.479 1.00 . A A . 10 ASN HB3 1 1 3 573 1 1 10 ASN HD21 H 1.618 -7.367 -1.086 1.00 . A A . 10 ASN HD21 1 1 3 574 1 1 10 ASN HD22 H 2.429 -8.396 0.023 1.00 . A A . 10 ASN HD22 1 1 3 575 1 1 10 ASN N N 0.544 -3.178 0.042 1.00 . A A . 10 ASN N 1 1 3 576 1 1 10 ASN ND2 N 1.886 -7.603 -0.172 1.00 . A A . 10 ASN ND2 1 1 3 577 1 1 10 ASN O O 3.653 -4.985 -0.341 1.00 . A A . 10 ASN O 1 1 3 578 1 1 10 ASN OD1 O 1.750 -7.125 1.995 1.00 . A A . 10 ASN OD1 1 1 3 579 1 1 11 LYS C C 4.329 -2.686 -2.696 1.00 . A A . 11 LYS C 1 1 3 580 1 1 11 LYS CA C 3.435 -3.905 -2.834 1.00 . A A . 11 LYS CA 1 1 3 581 1 1 11 LYS CB C 2.768 -3.878 -4.193 1.00 . A A . 11 LYS CB 1 1 3 582 1 1 11 LYS CD C 1.306 -5.031 -5.860 1.00 . A A . 11 LYS CD 1 1 3 583 1 1 11 LYS CE C 0.367 -6.204 -6.118 1.00 . A A . 11 LYS CE 1 1 3 584 1 1 11 LYS CG C 1.878 -5.071 -4.462 1.00 . A A . 11 LYS CG 1 1 3 585 1 1 11 LYS H H 1.581 -3.435 -2.047 1.00 . A A . 11 LYS H 1 1 3 586 1 1 11 LYS HA H 4.015 -4.810 -2.746 1.00 . A A . 11 LYS HA 1 1 3 587 1 1 11 LYS HB2 H 2.176 -2.975 -4.253 1.00 . A A . 11 LYS HB2 1 1 3 588 1 1 11 LYS HB3 H 3.525 -3.808 -4.951 1.00 . A A . 11 LYS HB3 1 1 3 589 1 1 11 LYS HD2 H 0.765 -4.105 -5.982 1.00 . A A . 11 LYS HD2 1 1 3 590 1 1 11 LYS HD3 H 2.121 -5.067 -6.567 1.00 . A A . 11 LYS HD3 1 1 3 591 1 1 11 LYS HE2 H 0.058 -6.186 -7.152 1.00 . A A . 11 LYS HE2 1 1 3 592 1 1 11 LYS HE3 H 0.905 -7.119 -5.924 1.00 . A A . 11 LYS HE3 1 1 3 593 1 1 11 LYS HG2 H 2.459 -5.975 -4.346 1.00 . A A . 11 LYS HG2 1 1 3 594 1 1 11 LYS HG3 H 1.068 -5.067 -3.749 1.00 . A A . 11 LYS HG3 1 1 3 595 1 1 11 LYS HZ1 H -1.439 -6.996 -5.422 1.00 . A A . 11 LYS HZ1 1 1 3 596 1 1 11 LYS HZ2 H -1.428 -5.336 -5.487 1.00 . A A . 11 LYS HZ2 1 1 3 597 1 1 11 LYS HZ3 H -0.599 -6.129 -4.245 1.00 . A A . 11 LYS HZ3 1 1 3 598 1 1 11 LYS N N 2.422 -3.883 -1.819 1.00 . A A . 11 LYS N 1 1 3 599 1 1 11 LYS NZ N -0.839 -6.164 -5.259 1.00 . A A . 11 LYS NZ 1 1 3 600 1 1 11 LYS O O 5.381 -2.589 -3.334 1.00 . A A . 11 LYS O 1 1 3 601 1 1 12 HIS C C 4.857 -0.192 -0.158 1.00 . A A . 12 HIS C 1 1 3 602 1 1 12 HIS CA C 4.583 -0.510 -1.658 1.00 . A A . 12 HIS CA 1 1 3 603 1 1 12 HIS CB C 3.677 0.577 -2.272 1.00 . A A . 12 HIS CB 1 1 3 604 1 1 12 HIS CD2 C 2.386 -0.143 -4.387 1.00 . A A . 12 HIS CD2 1 1 3 605 1 1 12 HIS CE1 C 3.828 0.388 -5.899 1.00 . A A . 12 HIS CE1 1 1 3 606 1 1 12 HIS CG C 3.438 0.401 -3.743 1.00 . A A . 12 HIS CG 1 1 3 607 1 1 12 HIS H H 3.163 -1.987 -1.241 1.00 . A A . 12 HIS H 1 1 3 608 1 1 12 HIS HA H 5.508 -0.526 -2.210 1.00 . A A . 12 HIS HA 1 1 3 609 1 1 12 HIS HB2 H 2.715 0.514 -1.785 1.00 . A A . 12 HIS HB2 1 1 3 610 1 1 12 HIS HB3 H 4.079 1.562 -2.097 1.00 . A A . 12 HIS HB3 1 1 3 611 1 1 12 HIS HD1 H 5.223 1.152 -4.574 1.00 . A A . 12 HIS HD1 1 1 3 612 1 1 12 HIS HD2 H 1.499 -0.542 -3.912 1.00 . A A . 12 HIS HD2 1 1 3 613 1 1 12 HIS HE1 H 4.333 0.488 -6.848 1.00 . A A . 12 HIS HE1 1 1 3 614 1 1 12 HIS N N 3.927 -1.788 -1.829 1.00 . A A . 12 HIS N 1 1 3 615 1 1 12 HIS ND1 N 4.344 0.737 -4.719 1.00 . A A . 12 HIS ND1 1 1 3 616 1 1 12 HIS NE2 N 2.632 -0.147 -5.752 1.00 . A A . 12 HIS NE2 1 1 3 617 1 1 12 HIS O O 4.637 0.955 0.284 1.00 . A A . 12 HIS O 1 1 3 618 1 1 13 PRO C C 6.815 0.027 2.318 1.00 . A A . 13 PRO C 1 1 3 619 1 1 13 PRO CA C 5.664 -0.939 2.075 1.00 . A A . 13 PRO CA 1 1 3 620 1 1 13 PRO CB C 6.014 -2.343 2.615 1.00 . A A . 13 PRO CB 1 1 3 621 1 1 13 PRO CD C 5.989 -2.445 0.230 1.00 . A A . 13 PRO CD 1 1 3 622 1 1 13 PRO CG C 5.820 -3.273 1.464 1.00 . A A . 13 PRO CG 1 1 3 623 1 1 13 PRO HA H 4.775 -0.563 2.560 1.00 . A A . 13 PRO HA 1 1 3 624 1 1 13 PRO HB2 H 7.038 -2.353 2.958 1.00 . A A . 13 PRO HB2 1 1 3 625 1 1 13 PRO HB3 H 5.354 -2.593 3.433 1.00 . A A . 13 PRO HB3 1 1 3 626 1 1 13 PRO HD2 H 7.034 -2.355 -0.027 1.00 . A A . 13 PRO HD2 1 1 3 627 1 1 13 PRO HD3 H 5.423 -2.857 -0.592 1.00 . A A . 13 PRO HD3 1 1 3 628 1 1 13 PRO HG2 H 6.561 -4.058 1.496 1.00 . A A . 13 PRO HG2 1 1 3 629 1 1 13 PRO HG3 H 4.826 -3.695 1.497 1.00 . A A . 13 PRO HG3 1 1 3 630 1 1 13 PRO N N 5.445 -1.147 0.641 1.00 . A A . 13 PRO N 1 1 3 631 1 1 13 PRO O O 7.010 0.524 3.423 1.00 . A A . 13 PRO O 1 1 3 632 1 1 14 ASP C C 8.136 2.632 1.522 1.00 . A A . 14 ASP C 1 1 3 633 1 1 14 ASP CA C 8.669 1.234 1.312 1.00 . A A . 14 ASP CA 1 1 3 634 1 1 14 ASP CB C 9.492 1.187 0.027 1.00 . A A . 14 ASP CB 1 1 3 635 1 1 14 ASP CG C 10.565 2.255 -0.011 1.00 . A A . 14 ASP CG 1 1 3 636 1 1 14 ASP H H 7.371 -0.194 0.432 1.00 . A A . 14 ASP H 1 1 3 637 1 1 14 ASP HA H 9.303 0.970 2.145 1.00 . A A . 14 ASP HA 1 1 3 638 1 1 14 ASP HB2 H 9.967 0.220 -0.060 1.00 . A A . 14 ASP HB2 1 1 3 639 1 1 14 ASP HB3 H 8.833 1.337 -0.816 1.00 . A A . 14 ASP HB3 1 1 3 640 1 1 14 ASP N N 7.572 0.286 1.264 1.00 . A A . 14 ASP N 1 1 3 641 1 1 14 ASP O O 8.658 3.391 2.327 1.00 . A A . 14 ASP O 1 1 3 642 1 1 14 ASP OD1 O 11.651 2.049 0.571 1.00 . A A . 14 ASP OD1 1 1 3 643 1 1 14 ASP OD2 O 10.338 3.322 -0.622 1.00 . A A . 14 ASP OD2 1 1 3 644 1 1 15 LEU C C 5.431 4.274 2.030 1.00 . A A . 15 LEU C 1 1 3 645 1 1 15 LEU CA C 6.494 4.252 0.935 1.00 . A A . 15 LEU CA 1 1 3 646 1 1 15 LEU CB C 6.036 4.817 -0.444 1.00 . A A . 15 LEU CB 1 1 3 647 1 1 15 LEU CD1 C 3.637 4.108 -0.882 1.00 . A A . 15 LEU CD1 1 1 3 648 1 1 15 LEU CD2 C 5.243 4.324 -2.780 1.00 . A A . 15 LEU CD2 1 1 3 649 1 1 15 LEU CG C 5.084 3.971 -1.313 1.00 . A A . 15 LEU CG 1 1 3 650 1 1 15 LEU H H 6.678 2.306 0.211 1.00 . A A . 15 LEU H 1 1 3 651 1 1 15 LEU HA H 7.314 4.853 1.294 1.00 . A A . 15 LEU HA 1 1 3 652 1 1 15 LEU HB2 H 5.544 5.759 -0.262 1.00 . A A . 15 LEU HB2 1 1 3 653 1 1 15 LEU HB3 H 6.925 5.018 -1.024 1.00 . A A . 15 LEU HB3 1 1 3 654 1 1 15 LEU HD11 H 3.536 3.781 0.143 1.00 . A A . 15 LEU HD11 1 1 3 655 1 1 15 LEU HD12 H 3.010 3.501 -1.517 1.00 . A A . 15 LEU HD12 1 1 3 656 1 1 15 LEU HD13 H 3.334 5.142 -0.959 1.00 . A A . 15 LEU HD13 1 1 3 657 1 1 15 LEU HD21 H 6.260 4.136 -3.091 1.00 . A A . 15 LEU HD21 1 1 3 658 1 1 15 LEU HD22 H 5.014 5.370 -2.920 1.00 . A A . 15 LEU HD22 1 1 3 659 1 1 15 LEU HD23 H 4.568 3.725 -3.372 1.00 . A A . 15 LEU HD23 1 1 3 660 1 1 15 LEU HG H 5.354 2.932 -1.192 1.00 . A A . 15 LEU HG 1 1 3 661 1 1 15 LEU N N 7.078 2.959 0.816 1.00 . A A . 15 LEU N 1 1 3 662 1 1 15 LEU O O 5.338 5.227 2.793 1.00 . A A . 15 LEU O 1 1 3 663 1 1 16 CYS C C 4.075 1.946 4.107 1.00 . A A . 16 CYS C 1 1 3 664 1 1 16 CYS CA C 3.710 3.083 3.175 1.00 . A A . 16 CYS CA 1 1 3 665 1 1 16 CYS CB C 2.350 2.857 2.561 1.00 . A A . 16 CYS CB 1 1 3 666 1 1 16 CYS H H 4.720 2.448 1.530 1.00 . A A . 16 CYS H 1 1 3 667 1 1 16 CYS HA H 3.688 4.007 3.732 1.00 . A A . 16 CYS HA 1 1 3 668 1 1 16 CYS HB2 H 2.477 2.140 1.761 1.00 . A A . 16 CYS HB2 1 1 3 669 1 1 16 CYS HB3 H 1.700 2.438 3.304 1.00 . A A . 16 CYS HB3 1 1 3 670 1 1 16 CYS N N 4.681 3.210 2.147 1.00 . A A . 16 CYS N 1 1 3 671 1 1 16 CYS O O 3.717 0.793 3.866 1.00 . A A . 16 CYS O 1 1 3 672 1 1 16 CYS SG S 1.586 4.343 1.833 1.00 . A A . 16 CYS SG 1 1 3 673 1 1 17 NH2 HN1 H 5.051 3.193 5.279 1.00 . A A . 17 NH2 HN1 1 1 3 674 1 1 17 NH2 HN2 H 5.078 1.534 5.760 1.00 . A A . 17 NH2 HN2 1 1 3 675 1 1 17 NH2 N N 4.807 2.253 5.151 1.00 . A A . 17 NH2 N 1 1 4 676 1 1 1 GLY C C -3.683 4.690 -3.022 1.00 . A A . 1 GLY C 1 1 4 677 1 1 1 GLY CA C -3.801 6.159 -3.341 1.00 . A A . 1 GLY CA 1 1 4 678 1 1 1 GLY H1 H -5.191 7.493 -4.101 1.00 . A A . 1 GLY H1 1 1 4 679 1 1 1 GLY H2 H -5.856 6.216 -3.202 1.00 . A A . 1 GLY H2 1 1 4 680 1 1 1 GLY H3 H -5.275 5.943 -4.761 1.00 . A A . 1 GLY H3 1 1 4 681 1 1 1 GLY HA2 H -3.048 6.413 -4.074 1.00 . A A . 1 GLY HA2 1 1 4 682 1 1 1 GLY HA3 H -3.631 6.747 -2.454 1.00 . A A . 1 GLY HA3 1 1 4 683 1 1 1 GLY N N -5.119 6.479 -3.884 1.00 . A A . 1 GLY N 1 1 4 684 1 1 1 GLY O O -4.650 4.065 -2.558 1.00 . A A . 1 GLY O 1 1 4 685 1 1 2 CYS C C -2.214 2.414 -1.569 1.00 . A A . 2 CYS C 1 1 4 686 1 1 2 CYS CA C -2.226 2.716 -3.046 1.00 . A A . 2 CYS CA 1 1 4 687 1 1 2 CYS CB C -0.860 2.432 -3.611 1.00 . A A . 2 CYS CB 1 1 4 688 1 1 2 CYS H H -1.762 4.706 -3.549 1.00 . A A . 2 CYS H 1 1 4 689 1 1 2 CYS HA H -2.961 2.114 -3.558 1.00 . A A . 2 CYS HA 1 1 4 690 1 1 2 CYS HB2 H -0.761 3.008 -4.512 1.00 . A A . 2 CYS HB2 1 1 4 691 1 1 2 CYS HB3 H -0.147 2.839 -2.909 1.00 . A A . 2 CYS HB3 1 1 4 692 1 1 2 CYS N N -2.505 4.141 -3.242 1.00 . A A . 2 CYS N 1 1 4 693 1 1 2 CYS O O -2.544 1.338 -1.125 1.00 . A A . 2 CYS O 1 1 4 694 1 1 2 CYS SG S -0.444 0.674 -3.873 1.00 . A A . 2 CYS SG 1 1 4 695 1 1 3 CYS C C -3.221 3.034 1.214 1.00 . A A . 3 CYS C 1 1 4 696 1 1 3 CYS CA C -1.805 3.296 0.626 1.00 . A A . 3 CYS CA 1 1 4 697 1 1 3 CYS CB C -1.152 4.556 1.226 1.00 . A A . 3 CYS CB 1 1 4 698 1 1 3 CYS H H -1.603 4.215 -1.307 1.00 . A A . 3 CYS H 1 1 4 699 1 1 3 CYS HA H -1.184 2.438 0.844 1.00 . A A . 3 CYS HA 1 1 4 700 1 1 3 CYS HB2 H -0.185 4.693 0.766 1.00 . A A . 3 CYS HB2 1 1 4 701 1 1 3 CYS HB3 H -1.766 5.413 0.995 1.00 . A A . 3 CYS HB3 1 1 4 702 1 1 3 CYS N N -1.857 3.399 -0.820 1.00 . A A . 3 CYS N 1 1 4 703 1 1 3 CYS O O -3.359 2.505 2.310 1.00 . A A . 3 CYS O 1 1 4 704 1 1 3 CYS SG S -0.882 4.532 3.040 1.00 . A A . 3 CYS SG 1 1 4 705 1 1 4 SER C C -6.132 1.790 0.299 1.00 . A A . 4 SER C 1 1 4 706 1 1 4 SER CA C -5.614 3.101 0.904 1.00 . A A . 4 SER CA 1 1 4 707 1 1 4 SER CB C -6.539 4.273 0.542 1.00 . A A . 4 SER CB 1 1 4 708 1 1 4 SER H H -4.133 3.791 -0.413 1.00 . A A . 4 SER H 1 1 4 709 1 1 4 SER HA H -5.586 2.994 1.978 1.00 . A A . 4 SER HA 1 1 4 710 1 1 4 SER HB2 H -6.155 5.189 0.964 1.00 . A A . 4 SER HB2 1 1 4 711 1 1 4 SER HB3 H -6.590 4.368 -0.532 1.00 . A A . 4 SER HB3 1 1 4 712 1 1 4 SER HG H -8.086 3.147 0.857 1.00 . A A . 4 SER HG 1 1 4 713 1 1 4 SER N N -4.263 3.358 0.460 1.00 . A A . 4 SER N 1 1 4 714 1 1 4 SER O O -7.292 1.413 0.504 1.00 . A A . 4 SER O 1 1 4 715 1 1 4 SER OG O -7.861 4.073 1.044 1.00 . A A . 4 SER OG 1 1 4 716 1 1 5 ASP C C -4.692 -1.220 -0.497 1.00 . A A . 5 ASP C 1 1 4 717 1 1 5 ASP CA C -5.637 -0.170 -1.026 1.00 . A A . 5 ASP CA 1 1 4 718 1 1 5 ASP CB C -5.571 -0.130 -2.561 1.00 . A A . 5 ASP CB 1 1 4 719 1 1 5 ASP CG C -5.947 -1.461 -3.203 1.00 . A A . 5 ASP CG 1 1 4 720 1 1 5 ASP H H -4.364 1.421 -0.583 1.00 . A A . 5 ASP H 1 1 4 721 1 1 5 ASP HA H -6.642 -0.413 -0.713 1.00 . A A . 5 ASP HA 1 1 4 722 1 1 5 ASP HB2 H -6.253 0.625 -2.925 1.00 . A A . 5 ASP HB2 1 1 4 723 1 1 5 ASP HB3 H -4.566 0.123 -2.862 1.00 . A A . 5 ASP HB3 1 1 4 724 1 1 5 ASP N N -5.283 1.105 -0.434 1.00 . A A . 5 ASP N 1 1 4 725 1 1 5 ASP O O -3.580 -1.351 -0.983 1.00 . A A . 5 ASP O 1 1 4 726 1 1 5 ASP OD1 O -7.151 -1.680 -3.473 1.00 . A A . 5 ASP OD1 1 1 4 727 1 1 5 ASP OD2 O -5.062 -2.296 -3.468 1.00 . A A . 5 ASP OD2 1 1 4 728 1 1 6 PRO C C -3.592 -3.969 0.204 1.00 . A A . 6 PRO C 1 1 4 729 1 1 6 PRO CA C -4.261 -2.968 1.190 1.00 . A A . 6 PRO CA 1 1 4 730 1 1 6 PRO CB C -5.201 -3.661 2.171 1.00 . A A . 6 PRO CB 1 1 4 731 1 1 6 PRO CD C -6.389 -1.798 1.255 1.00 . A A . 6 PRO CD 1 1 4 732 1 1 6 PRO CG C -6.198 -2.610 2.506 1.00 . A A . 6 PRO CG 1 1 4 733 1 1 6 PRO HA H -3.463 -2.492 1.741 1.00 . A A . 6 PRO HA 1 1 4 734 1 1 6 PRO HB2 H -5.652 -4.526 1.711 1.00 . A A . 6 PRO HB2 1 1 4 735 1 1 6 PRO HB3 H -4.645 -3.963 3.045 1.00 . A A . 6 PRO HB3 1 1 4 736 1 1 6 PRO HD2 H -7.191 -2.206 0.657 1.00 . A A . 6 PRO HD2 1 1 4 737 1 1 6 PRO HD3 H -6.584 -0.765 1.500 1.00 . A A . 6 PRO HD3 1 1 4 738 1 1 6 PRO HG2 H -7.128 -3.070 2.806 1.00 . A A . 6 PRO HG2 1 1 4 739 1 1 6 PRO HG3 H -5.818 -1.985 3.301 1.00 . A A . 6 PRO HG3 1 1 4 740 1 1 6 PRO N N -5.093 -1.936 0.562 1.00 . A A . 6 PRO N 1 1 4 741 1 1 6 PRO O O -2.382 -4.200 0.328 1.00 . A A . 6 PRO O 1 1 4 742 1 1 7 PRO C C -2.500 -4.899 -2.484 1.00 . A A . 7 PRO C 1 1 4 743 1 1 7 PRO CA C -3.718 -5.490 -1.758 1.00 . A A . 7 PRO CA 1 1 4 744 1 1 7 PRO CB C -4.835 -5.786 -2.747 1.00 . A A . 7 PRO CB 1 1 4 745 1 1 7 PRO CD C -5.789 -4.436 -1.063 1.00 . A A . 7 PRO CD 1 1 4 746 1 1 7 PRO CG C -6.077 -5.587 -1.969 1.00 . A A . 7 PRO CG 1 1 4 747 1 1 7 PRO HA H -3.417 -6.405 -1.270 1.00 . A A . 7 PRO HA 1 1 4 748 1 1 7 PRO HB2 H -4.768 -5.095 -3.574 1.00 . A A . 7 PRO HB2 1 1 4 749 1 1 7 PRO HB3 H -4.747 -6.800 -3.103 1.00 . A A . 7 PRO HB3 1 1 4 750 1 1 7 PRO HD2 H -6.010 -3.504 -1.562 1.00 . A A . 7 PRO HD2 1 1 4 751 1 1 7 PRO HD3 H -6.358 -4.522 -0.151 1.00 . A A . 7 PRO HD3 1 1 4 752 1 1 7 PRO HG2 H -6.897 -5.355 -2.631 1.00 . A A . 7 PRO HG2 1 1 4 753 1 1 7 PRO HG3 H -6.296 -6.472 -1.390 1.00 . A A . 7 PRO HG3 1 1 4 754 1 1 7 PRO N N -4.328 -4.567 -0.801 1.00 . A A . 7 PRO N 1 1 4 755 1 1 7 PRO O O -1.503 -5.607 -2.698 1.00 . A A . 7 PRO O 1 1 4 756 1 1 8 CYS C C -0.415 -2.506 -2.482 1.00 . A A . 8 CYS C 1 1 4 757 1 1 8 CYS CA C -1.393 -3.048 -3.520 1.00 . A A . 8 CYS CA 1 1 4 758 1 1 8 CYS CB C -1.750 -1.963 -4.571 1.00 . A A . 8 CYS CB 1 1 4 759 1 1 8 CYS H H -3.365 -3.079 -2.728 1.00 . A A . 8 CYS H 1 1 4 760 1 1 8 CYS HA H -0.895 -3.868 -4.017 1.00 . A A . 8 CYS HA 1 1 4 761 1 1 8 CYS HB2 H -0.893 -1.804 -5.208 1.00 . A A . 8 CYS HB2 1 1 4 762 1 1 8 CYS HB3 H -2.565 -2.323 -5.181 1.00 . A A . 8 CYS HB3 1 1 4 763 1 1 8 CYS N N -2.552 -3.623 -2.865 1.00 . A A . 8 CYS N 1 1 4 764 1 1 8 CYS O O 0.780 -2.583 -2.667 1.00 . A A . 8 CYS O 1 1 4 765 1 1 8 CYS SG S -2.225 -0.325 -3.918 1.00 . A A . 8 CYS SG 1 1 4 766 1 1 9 ARG C C 0.912 -2.342 0.222 1.00 . A A . 9 ARG C 1 1 4 767 1 1 9 ARG CA C -0.161 -1.413 -0.278 1.00 . A A . 9 ARG CA 1 1 4 768 1 1 9 ARG CB C -1.079 -1.104 0.868 1.00 . A A . 9 ARG CB 1 1 4 769 1 1 9 ARG CD C -1.443 0.228 2.962 1.00 . A A . 9 ARG CD 1 1 4 770 1 1 9 ARG CG C -0.433 -0.286 1.949 1.00 . A A . 9 ARG CG 1 1 4 771 1 1 9 ARG CZ C -3.397 -0.624 4.242 1.00 . A A . 9 ARG CZ 1 1 4 772 1 1 9 ARG H H -1.923 -2.025 -1.286 1.00 . A A . 9 ARG H 1 1 4 773 1 1 9 ARG HA H 0.292 -0.489 -0.613 1.00 . A A . 9 ARG HA 1 1 4 774 1 1 9 ARG HB2 H -1.977 -0.657 0.483 1.00 . A A . 9 ARG HB2 1 1 4 775 1 1 9 ARG HB3 H -1.363 -2.053 1.298 1.00 . A A . 9 ARG HB3 1 1 4 776 1 1 9 ARG HD2 H -0.916 0.823 3.693 1.00 . A A . 9 ARG HD2 1 1 4 777 1 1 9 ARG HD3 H -2.145 0.864 2.442 1.00 . A A . 9 ARG HD3 1 1 4 778 1 1 9 ARG HE H -1.718 -1.676 3.778 1.00 . A A . 9 ARG HE 1 1 4 779 1 1 9 ARG HG2 H 0.311 -0.898 2.437 1.00 . A A . 9 ARG HG2 1 1 4 780 1 1 9 ARG HG3 H 0.057 0.545 1.462 1.00 . A A . 9 ARG HG3 1 1 4 781 1 1 9 ARG HH11 H -3.715 1.262 3.458 1.00 . A A . 9 ARG HH11 1 1 4 782 1 1 9 ARG HH12 H -4.971 0.680 4.443 1.00 . A A . 9 ARG HH12 1 1 4 783 1 1 9 ARG HH21 H -3.465 -2.446 5.155 1.00 . A A . 9 ARG HH21 1 1 4 784 1 1 9 ARG HH22 H -4.826 -1.470 5.445 1.00 . A A . 9 ARG HH22 1 1 4 785 1 1 9 ARG N N -0.942 -2.017 -1.370 1.00 . A A . 9 ARG N 1 1 4 786 1 1 9 ARG NE N -2.186 -0.815 3.676 1.00 . A A . 9 ARG NE 1 1 4 787 1 1 9 ARG NH1 N -4.071 0.513 4.032 1.00 . A A . 9 ARG NH1 1 1 4 788 1 1 9 ARG NH2 N -3.935 -1.574 4.989 1.00 . A A . 9 ARG NH2 1 1 4 789 1 1 9 ARG O O 2.044 -1.927 0.468 1.00 . A A . 9 ARG O 1 1 4 790 1 1 10 ASN C C 2.659 -4.819 -0.146 1.00 . A A . 10 ASN C 1 1 4 791 1 1 10 ASN CA C 1.492 -4.628 0.826 1.00 . A A . 10 ASN CA 1 1 4 792 1 1 10 ASN CB C 0.799 -5.976 1.114 1.00 . A A . 10 ASN CB 1 1 4 793 1 1 10 ASN CG C -0.028 -5.983 2.396 1.00 . A A . 10 ASN CG 1 1 4 794 1 1 10 ASN H H -0.408 -3.755 0.206 1.00 . A A . 10 ASN H 1 1 4 795 1 1 10 ASN HA H 1.915 -4.257 1.746 1.00 . A A . 10 ASN HA 1 1 4 796 1 1 10 ASN HB2 H 0.139 -6.213 0.292 1.00 . A A . 10 ASN HB2 1 1 4 797 1 1 10 ASN HB3 H 1.552 -6.747 1.188 1.00 . A A . 10 ASN HB3 1 1 4 798 1 1 10 ASN HD21 H 1.501 -6.677 3.448 1.00 . A A . 10 ASN HD21 1 1 4 799 1 1 10 ASN HD22 H 0.040 -6.417 4.315 1.00 . A A . 10 ASN HD22 1 1 4 800 1 1 10 ASN N N 0.547 -3.585 0.378 1.00 . A A . 10 ASN N 1 1 4 801 1 1 10 ASN ND2 N 0.561 -6.393 3.486 1.00 . A A . 10 ASN ND2 1 1 4 802 1 1 10 ASN O O 3.706 -5.336 0.229 1.00 . A A . 10 ASN O 1 1 4 803 1 1 10 ASN OD1 O -1.204 -5.642 2.399 1.00 . A A . 10 ASN OD1 1 1 4 804 1 1 11 LYS C C 4.351 -3.203 -2.372 1.00 . A A . 11 LYS C 1 1 4 805 1 1 11 LYS CA C 3.505 -4.468 -2.386 1.00 . A A . 11 LYS CA 1 1 4 806 1 1 11 LYS CB C 2.849 -4.597 -3.763 1.00 . A A . 11 LYS CB 1 1 4 807 1 1 11 LYS CD C 1.413 -5.907 -5.364 1.00 . A A . 11 LYS CD 1 1 4 808 1 1 11 LYS CE C 0.616 -7.190 -5.600 1.00 . A A . 11 LYS CE 1 1 4 809 1 1 11 LYS CG C 2.004 -5.851 -3.960 1.00 . A A . 11 LYS CG 1 1 4 810 1 1 11 LYS H H 1.647 -3.963 -1.659 1.00 . A A . 11 LYS H 1 1 4 811 1 1 11 LYS HA H 4.120 -5.336 -2.210 1.00 . A A . 11 LYS HA 1 1 4 812 1 1 11 LYS HB2 H 2.231 -3.725 -3.922 1.00 . A A . 11 LYS HB2 1 1 4 813 1 1 11 LYS HB3 H 3.625 -4.564 -4.504 1.00 . A A . 11 LYS HB3 1 1 4 814 1 1 11 LYS HD2 H 0.757 -5.060 -5.503 1.00 . A A . 11 LYS HD2 1 1 4 815 1 1 11 LYS HD3 H 2.221 -5.856 -6.080 1.00 . A A . 11 LYS HD3 1 1 4 816 1 1 11 LYS HE2 H 0.322 -7.240 -6.637 1.00 . A A . 11 LYS HE2 1 1 4 817 1 1 11 LYS HE3 H 1.260 -8.025 -5.374 1.00 . A A . 11 LYS HE3 1 1 4 818 1 1 11 LYS HG2 H 2.625 -6.721 -3.808 1.00 . A A . 11 LYS HG2 1 1 4 819 1 1 11 LYS HG3 H 1.201 -5.845 -3.239 1.00 . A A . 11 LYS HG3 1 1 4 820 1 1 11 LYS HZ1 H -0.376 -7.187 -3.749 1.00 . A A . 11 LYS HZ1 1 1 4 821 1 1 11 LYS HZ2 H -1.043 -8.216 -4.869 1.00 . A A . 11 LYS HZ2 1 1 4 822 1 1 11 LYS HZ3 H -1.295 -6.553 -5.008 1.00 . A A . 11 LYS HZ3 1 1 4 823 1 1 11 LYS N N 2.486 -4.383 -1.377 1.00 . A A . 11 LYS N 1 1 4 824 1 1 11 LYS NZ N -0.597 -7.282 -4.761 1.00 . A A . 11 LYS NZ 1 1 4 825 1 1 11 LYS O O 5.371 -3.105 -3.071 1.00 . A A . 11 LYS O 1 1 4 826 1 1 12 HIS C C 4.874 -0.435 -0.147 1.00 . A A . 12 HIS C 1 1 4 827 1 1 12 HIS CA C 4.574 -0.931 -1.565 1.00 . A A . 12 HIS CA 1 1 4 828 1 1 12 HIS CB C 3.680 0.076 -2.302 1.00 . A A . 12 HIS CB 1 1 4 829 1 1 12 HIS CD2 C 2.464 -0.889 -4.328 1.00 . A A . 12 HIS CD2 1 1 4 830 1 1 12 HIS CE1 C 3.924 -0.520 -5.870 1.00 . A A . 12 HIS CE1 1 1 4 831 1 1 12 HIS CG C 3.483 -0.251 -3.741 1.00 . A A . 12 HIS CG 1 1 4 832 1 1 12 HIS H H 3.198 -2.402 -0.949 1.00 . A A . 12 HIS H 1 1 4 833 1 1 12 HIS HA H 5.504 -1.011 -2.108 1.00 . A A . 12 HIS HA 1 1 4 834 1 1 12 HIS HB2 H 2.707 0.033 -1.834 1.00 . A A . 12 HIS HB2 1 1 4 835 1 1 12 HIS HB3 H 4.051 1.082 -2.204 1.00 . A A . 12 HIS HB3 1 1 4 836 1 1 12 HIS HD1 H 5.273 0.452 -4.635 1.00 . A A . 12 HIS HD1 1 1 4 837 1 1 12 HIS HD2 H 1.582 -1.224 -3.793 1.00 . A A . 12 HIS HD2 1 1 4 838 1 1 12 HIS HE1 H 4.435 -0.526 -6.822 1.00 . A A . 12 HIS HE1 1 1 4 839 1 1 12 HIS N N 3.942 -2.236 -1.571 1.00 . A A . 12 HIS N 1 1 4 840 1 1 12 HIS ND1 N 4.410 -0.011 -4.734 1.00 . A A . 12 HIS ND1 1 1 4 841 1 1 12 HIS NE2 N 2.735 -1.064 -5.673 1.00 . A A . 12 HIS NE2 1 1 4 842 1 1 12 HIS O O 4.348 0.611 0.281 1.00 . A A . 12 HIS O 1 1 4 843 1 1 13 PRO C C 6.998 0.472 1.993 1.00 . A A . 13 PRO C 1 1 4 844 1 1 13 PRO CA C 6.114 -0.763 1.978 1.00 . A A . 13 PRO CA 1 1 4 845 1 1 13 PRO CB C 6.900 -1.981 2.498 1.00 . A A . 13 PRO CB 1 1 4 846 1 1 13 PRO CD C 6.512 -2.329 0.180 1.00 . A A . 13 PRO CD 1 1 4 847 1 1 13 PRO CG C 6.704 -3.044 1.468 1.00 . A A . 13 PRO CG 1 1 4 848 1 1 13 PRO HA H 5.237 -0.594 2.586 1.00 . A A . 13 PRO HA 1 1 4 849 1 1 13 PRO HB2 H 7.943 -1.716 2.601 1.00 . A A . 13 PRO HB2 1 1 4 850 1 1 13 PRO HB3 H 6.507 -2.281 3.457 1.00 . A A . 13 PRO HB3 1 1 4 851 1 1 13 PRO HD2 H 7.465 -2.059 -0.250 1.00 . A A . 13 PRO HD2 1 1 4 852 1 1 13 PRO HD3 H 5.930 -2.921 -0.510 1.00 . A A . 13 PRO HD3 1 1 4 853 1 1 13 PRO HG2 H 7.573 -3.682 1.415 1.00 . A A . 13 PRO HG2 1 1 4 854 1 1 13 PRO HG3 H 5.825 -3.624 1.701 1.00 . A A . 13 PRO HG3 1 1 4 855 1 1 13 PRO N N 5.765 -1.135 0.601 1.00 . A A . 13 PRO N 1 1 4 856 1 1 13 PRO O O 7.155 1.133 3.015 1.00 . A A . 13 PRO O 1 1 4 857 1 1 14 ASP C C 7.747 3.205 1.007 1.00 . A A . 14 ASP C 1 1 4 858 1 1 14 ASP CA C 8.425 1.911 0.600 1.00 . A A . 14 ASP CA 1 1 4 859 1 1 14 ASP CB C 8.843 1.969 -0.871 1.00 . A A . 14 ASP CB 1 1 4 860 1 1 14 ASP CG C 9.637 3.207 -1.223 1.00 . A A . 14 ASP CG 1 1 4 861 1 1 14 ASP H H 7.352 0.165 0.081 1.00 . A A . 14 ASP H 1 1 4 862 1 1 14 ASP HA H 9.311 1.772 1.201 1.00 . A A . 14 ASP HA 1 1 4 863 1 1 14 ASP HB2 H 9.454 1.110 -1.096 1.00 . A A . 14 ASP HB2 1 1 4 864 1 1 14 ASP HB3 H 7.956 1.944 -1.487 1.00 . A A . 14 ASP HB3 1 1 4 865 1 1 14 ASP N N 7.553 0.770 0.824 1.00 . A A . 14 ASP N 1 1 4 866 1 1 14 ASP O O 8.266 3.958 1.835 1.00 . A A . 14 ASP O 1 1 4 867 1 1 14 ASP OD1 O 10.728 3.421 -0.660 1.00 . A A . 14 ASP OD1 1 1 4 868 1 1 14 ASP OD2 O 9.177 3.996 -2.070 1.00 . A A . 14 ASP OD2 1 1 4 869 1 1 15 LEU C C 4.815 4.407 1.873 1.00 . A A . 15 LEU C 1 1 4 870 1 1 15 LEU CA C 5.842 4.628 0.774 1.00 . A A . 15 LEU CA 1 1 4 871 1 1 15 LEU CB C 5.184 5.288 -0.471 1.00 . A A . 15 LEU CB 1 1 4 872 1 1 15 LEU CD1 C 3.288 5.446 -2.107 1.00 . A A . 15 LEU CD1 1 1 4 873 1 1 15 LEU CD2 C 4.753 3.469 -2.178 1.00 . A A . 15 LEU CD2 1 1 4 874 1 1 15 LEU CG C 4.112 4.494 -1.258 1.00 . A A . 15 LEU CG 1 1 4 875 1 1 15 LEU H H 6.205 2.754 -0.123 1.00 . A A . 15 LEU H 1 1 4 876 1 1 15 LEU HA H 6.599 5.293 1.150 1.00 . A A . 15 LEU HA 1 1 4 877 1 1 15 LEU HB2 H 4.728 6.209 -0.142 1.00 . A A . 15 LEU HB2 1 1 4 878 1 1 15 LEU HB3 H 5.977 5.546 -1.159 1.00 . A A . 15 LEU HB3 1 1 4 879 1 1 15 LEU HD11 H 3.935 5.970 -2.794 1.00 . A A . 15 LEU HD11 1 1 4 880 1 1 15 LEU HD12 H 2.783 6.158 -1.472 1.00 . A A . 15 LEU HD12 1 1 4 881 1 1 15 LEU HD13 H 2.556 4.880 -2.664 1.00 . A A . 15 LEU HD13 1 1 4 882 1 1 15 LEU HD21 H 5.463 3.965 -2.821 1.00 . A A . 15 LEU HD21 1 1 4 883 1 1 15 LEU HD22 H 3.976 3.040 -2.794 1.00 . A A . 15 LEU HD22 1 1 4 884 1 1 15 LEU HD23 H 5.242 2.690 -1.614 1.00 . A A . 15 LEU HD23 1 1 4 885 1 1 15 LEU HG H 3.454 3.984 -0.571 1.00 . A A . 15 LEU HG 1 1 4 886 1 1 15 LEU N N 6.572 3.428 0.476 1.00 . A A . 15 LEU N 1 1 4 887 1 1 15 LEU O O 4.594 5.277 2.711 1.00 . A A . 15 LEU O 1 1 4 888 1 1 16 CYS C C 3.319 1.564 3.433 1.00 . A A . 16 CYS C 1 1 4 889 1 1 16 CYS CA C 3.183 2.982 2.868 1.00 . A A . 16 CYS CA 1 1 4 890 1 1 16 CYS CB C 1.793 3.249 2.257 1.00 . A A . 16 CYS CB 1 1 4 891 1 1 16 CYS H H 4.445 2.535 1.261 1.00 . A A . 16 CYS H 1 1 4 892 1 1 16 CYS HA H 3.344 3.680 3.678 1.00 . A A . 16 CYS HA 1 1 4 893 1 1 16 CYS HB2 H 1.749 4.276 1.929 1.00 . A A . 16 CYS HB2 1 1 4 894 1 1 16 CYS HB3 H 1.661 2.603 1.401 1.00 . A A . 16 CYS HB3 1 1 4 895 1 1 16 CYS N N 4.208 3.246 1.893 1.00 . A A . 16 CYS N 1 1 4 896 1 1 16 CYS O O 3.912 1.364 4.497 1.00 . A A . 16 CYS O 1 1 4 897 1 1 16 CYS SG S 0.389 2.978 3.383 1.00 . A A . 16 CYS SG 1 1 4 898 1 1 17 NH2 HN1 H 2.353 0.778 1.884 1.00 . A A . 17 NH2 HN1 1 1 4 899 1 1 17 NH2 HN2 H 2.924 -0.334 3.066 1.00 . A A . 17 NH2 HN2 1 1 4 900 1 1 17 NH2 N N 2.815 0.579 2.724 1.00 . A A . 17 NH2 N 1 1 5 901 1 1 1 GLY C C -5.337 4.678 -2.788 1.00 . A A . 1 GLY C 1 1 5 902 1 1 1 GLY CA C -5.572 6.155 -2.645 1.00 . A A . 1 GLY CA 1 1 5 903 1 1 1 GLY H1 H -5.667 6.156 -0.572 1.00 . A A . 1 GLY H1 1 1 5 904 1 1 1 GLY H2 H -7.130 5.899 -1.337 1.00 . A A . 1 GLY H2 1 1 5 905 1 1 1 GLY H3 H -6.476 7.453 -1.294 1.00 . A A . 1 GLY H3 1 1 5 906 1 1 1 GLY HA2 H -6.177 6.500 -3.469 1.00 . A A . 1 GLY HA2 1 1 5 907 1 1 1 GLY HA3 H -4.622 6.670 -2.650 1.00 . A A . 1 GLY HA3 1 1 5 908 1 1 1 GLY N N -6.249 6.444 -1.389 1.00 . A A . 1 GLY N 1 1 5 909 1 1 1 GLY O O -5.965 3.886 -2.081 1.00 . A A . 1 GLY O 1 1 5 910 1 1 2 CYS C C -3.252 2.424 -2.704 1.00 . A A . 2 CYS C 1 1 5 911 1 1 2 CYS CA C -4.110 2.871 -3.866 1.00 . A A . 2 CYS CA 1 1 5 912 1 1 2 CYS CB C -3.338 2.703 -5.176 1.00 . A A . 2 CYS CB 1 1 5 913 1 1 2 CYS H H -3.935 4.966 -4.181 1.00 . A A . 2 CYS H 1 1 5 914 1 1 2 CYS HA H -5.022 2.296 -3.888 1.00 . A A . 2 CYS HA 1 1 5 915 1 1 2 CYS HB2 H -3.692 3.446 -5.869 1.00 . A A . 2 CYS HB2 1 1 5 916 1 1 2 CYS HB3 H -2.299 2.913 -4.971 1.00 . A A . 2 CYS HB3 1 1 5 917 1 1 2 CYS N N -4.425 4.291 -3.656 1.00 . A A . 2 CYS N 1 1 5 918 1 1 2 CYS O O -3.345 1.313 -2.217 1.00 . A A . 2 CYS O 1 1 5 919 1 1 2 CYS SG S -3.430 1.041 -5.946 1.00 . A A . 2 CYS SG 1 1 5 920 1 1 3 CYS C C -2.386 2.925 0.199 1.00 . A A . 3 CYS C 1 1 5 921 1 1 3 CYS CA C -1.587 3.217 -1.086 1.00 . A A . 3 CYS CA 1 1 5 922 1 1 3 CYS CB C -0.783 4.523 -0.939 1.00 . A A . 3 CYS CB 1 1 5 923 1 1 3 CYS H H -2.499 4.206 -2.726 1.00 . A A . 3 CYS H 1 1 5 924 1 1 3 CYS HA H -0.900 2.406 -1.278 1.00 . A A . 3 CYS HA 1 1 5 925 1 1 3 CYS HB2 H -0.228 4.697 -1.848 1.00 . A A . 3 CYS HB2 1 1 5 926 1 1 3 CYS HB3 H -1.476 5.340 -0.793 1.00 . A A . 3 CYS HB3 1 1 5 927 1 1 3 CYS N N -2.480 3.361 -2.229 1.00 . A A . 3 CYS N 1 1 5 928 1 1 3 CYS O O -1.856 2.405 1.186 1.00 . A A . 3 CYS O 1 1 5 929 1 1 3 CYS SG S 0.415 4.561 0.424 1.00 . A A . 3 CYS SG 1 1 5 930 1 1 4 SER C C -5.269 1.713 1.150 1.00 . A A . 4 SER C 1 1 5 931 1 1 4 SER CA C -4.547 3.066 1.266 1.00 . A A . 4 SER CA 1 1 5 932 1 1 4 SER CB C -5.555 4.183 1.188 1.00 . A A . 4 SER CB 1 1 5 933 1 1 4 SER H H -4.055 3.620 -0.653 1.00 . A A . 4 SER H 1 1 5 934 1 1 4 SER HA H -4.006 3.146 2.196 1.00 . A A . 4 SER HA 1 1 5 935 1 1 4 SER HB2 H -6.310 3.939 0.456 1.00 . A A . 4 SER HB2 1 1 5 936 1 1 4 SER HB3 H -6.008 4.318 2.155 1.00 . A A . 4 SER HB3 1 1 5 937 1 1 4 SER HG H -4.190 5.551 1.440 1.00 . A A . 4 SER HG 1 1 5 938 1 1 4 SER N N -3.663 3.240 0.159 1.00 . A A . 4 SER N 1 1 5 939 1 1 4 SER O O -6.046 1.325 2.028 1.00 . A A . 4 SER O 1 1 5 940 1 1 4 SER OG O -4.911 5.403 0.810 1.00 . A A . 4 SER OG 1 1 5 941 1 1 5 ASP C C -4.651 -1.384 0.031 1.00 . A A . 5 ASP C 1 1 5 942 1 1 5 ASP CA C -5.646 -0.263 -0.209 1.00 . A A . 5 ASP CA 1 1 5 943 1 1 5 ASP CB C -6.174 -0.297 -1.656 1.00 . A A . 5 ASP CB 1 1 5 944 1 1 5 ASP CG C -6.871 -1.592 -2.006 1.00 . A A . 5 ASP CG 1 1 5 945 1 1 5 ASP H H -4.339 1.337 -0.583 1.00 . A A . 5 ASP H 1 1 5 946 1 1 5 ASP HA H -6.472 -0.368 0.475 1.00 . A A . 5 ASP HA 1 1 5 947 1 1 5 ASP HB2 H -6.877 0.511 -1.794 1.00 . A A . 5 ASP HB2 1 1 5 948 1 1 5 ASP HB3 H -5.345 -0.159 -2.334 1.00 . A A . 5 ASP HB3 1 1 5 949 1 1 5 ASP N N -5.009 1.013 0.062 1.00 . A A . 5 ASP N 1 1 5 950 1 1 5 ASP O O -3.618 -1.413 -0.606 1.00 . A A . 5 ASP O 1 1 5 951 1 1 5 ASP OD1 O -7.953 -1.878 -1.426 1.00 . A A . 5 ASP OD1 1 1 5 952 1 1 5 ASP OD2 O -6.385 -2.331 -2.891 1.00 . A A . 5 ASP OD2 1 1 5 953 1 1 6 PRO C C -3.277 -4.151 0.235 1.00 . A A . 6 PRO C 1 1 5 954 1 1 6 PRO CA C -4.042 -3.406 1.380 1.00 . A A . 6 PRO CA 1 1 5 955 1 1 6 PRO CB C -4.920 -4.337 2.223 1.00 . A A . 6 PRO CB 1 1 5 956 1 1 6 PRO CD C -6.221 -2.369 1.729 1.00 . A A . 6 PRO CD 1 1 5 957 1 1 6 PRO CG C -5.996 -3.455 2.754 1.00 . A A . 6 PRO CG 1 1 5 958 1 1 6 PRO HA H -3.267 -2.991 2.009 1.00 . A A . 6 PRO HA 1 1 5 959 1 1 6 PRO HB2 H -5.316 -5.140 1.622 1.00 . A A . 6 PRO HB2 1 1 5 960 1 1 6 PRO HB3 H -4.335 -4.753 3.029 1.00 . A A . 6 PRO HB3 1 1 5 961 1 1 6 PRO HD2 H -7.044 -2.625 1.079 1.00 . A A . 6 PRO HD2 1 1 5 962 1 1 6 PRO HD3 H -6.409 -1.430 2.229 1.00 . A A . 6 PRO HD3 1 1 5 963 1 1 6 PRO HG2 H -6.901 -4.026 2.897 1.00 . A A . 6 PRO HG2 1 1 5 964 1 1 6 PRO HG3 H -5.679 -3.022 3.692 1.00 . A A . 6 PRO HG3 1 1 5 965 1 1 6 PRO N N -4.953 -2.313 0.971 1.00 . A A . 6 PRO N 1 1 5 966 1 1 6 PRO O O -2.044 -4.213 0.291 1.00 . A A . 6 PRO O 1 1 5 967 1 1 7 PRO C C -2.280 -4.440 -2.685 1.00 . A A . 7 PRO C 1 1 5 968 1 1 7 PRO CA C -3.222 -5.381 -1.929 1.00 . A A . 7 PRO CA 1 1 5 969 1 1 7 PRO CB C -4.338 -5.868 -2.864 1.00 . A A . 7 PRO CB 1 1 5 970 1 1 7 PRO CD C -5.399 -4.713 -1.084 1.00 . A A . 7 PRO CD 1 1 5 971 1 1 7 PRO CG C -5.559 -5.866 -2.024 1.00 . A A . 7 PRO CG 1 1 5 972 1 1 7 PRO HA H -2.660 -6.223 -1.553 1.00 . A A . 7 PRO HA 1 1 5 973 1 1 7 PRO HB2 H -4.428 -5.190 -3.700 1.00 . A A . 7 PRO HB2 1 1 5 974 1 1 7 PRO HB3 H -4.107 -6.860 -3.223 1.00 . A A . 7 PRO HB3 1 1 5 975 1 1 7 PRO HD2 H -5.726 -3.799 -1.559 1.00 . A A . 7 PRO HD2 1 1 5 976 1 1 7 PRO HD3 H -5.952 -4.883 -0.173 1.00 . A A . 7 PRO HD3 1 1 5 977 1 1 7 PRO HG2 H -6.432 -5.732 -2.643 1.00 . A A . 7 PRO HG2 1 1 5 978 1 1 7 PRO HG3 H -5.624 -6.793 -1.474 1.00 . A A . 7 PRO HG3 1 1 5 979 1 1 7 PRO N N -3.943 -4.691 -0.840 1.00 . A A . 7 PRO N 1 1 5 980 1 1 7 PRO O O -1.302 -4.868 -3.290 1.00 . A A . 7 PRO O 1 1 5 981 1 1 8 CYS C C -0.872 -1.445 -2.260 1.00 . A A . 8 CYS C 1 1 5 982 1 1 8 CYS CA C -1.767 -2.163 -3.285 1.00 . A A . 8 CYS CA 1 1 5 983 1 1 8 CYS CB C -2.700 -1.177 -4.010 1.00 . A A . 8 CYS CB 1 1 5 984 1 1 8 CYS H H -3.329 -2.869 -2.071 1.00 . A A . 8 CYS H 1 1 5 985 1 1 8 CYS HA H -1.148 -2.671 -4.008 1.00 . A A . 8 CYS HA 1 1 5 986 1 1 8 CYS HB2 H -3.414 -1.735 -4.595 1.00 . A A . 8 CYS HB2 1 1 5 987 1 1 8 CYS HB3 H -3.235 -0.604 -3.267 1.00 . A A . 8 CYS HB3 1 1 5 988 1 1 8 CYS N N -2.560 -3.163 -2.610 1.00 . A A . 8 CYS N 1 1 5 989 1 1 8 CYS O O -0.244 -0.424 -2.544 1.00 . A A . 8 CYS O 1 1 5 990 1 1 8 CYS SG S -1.881 0.009 -5.144 1.00 . A A . 8 CYS SG 1 1 5 991 1 1 9 ARG C C 1.071 -2.421 0.356 1.00 . A A . 9 ARG C 1 1 5 992 1 1 9 ARG CA C -0.001 -1.435 -0.009 1.00 . A A . 9 ARG CA 1 1 5 993 1 1 9 ARG CB C -0.869 -1.188 1.185 1.00 . A A . 9 ARG CB 1 1 5 994 1 1 9 ARG CD C -1.163 -0.079 3.396 1.00 . A A . 9 ARG CD 1 1 5 995 1 1 9 ARG CG C -0.197 -0.400 2.273 1.00 . A A . 9 ARG CG 1 1 5 996 1 1 9 ARG CZ C -2.945 -1.335 4.613 1.00 . A A . 9 ARG CZ 1 1 5 997 1 1 9 ARG H H -1.370 -2.781 -0.880 1.00 . A A . 9 ARG H 1 1 5 998 1 1 9 ARG HA H 0.442 -0.505 -0.334 1.00 . A A . 9 ARG HA 1 1 5 999 1 1 9 ARG HB2 H -1.785 -0.735 0.852 1.00 . A A . 9 ARG HB2 1 1 5 1000 1 1 9 ARG HB3 H -1.129 -2.156 1.588 1.00 . A A . 9 ARG HB3 1 1 5 1001 1 1 9 ARG HD2 H -0.626 0.457 4.163 1.00 . A A . 9 ARG HD2 1 1 5 1002 1 1 9 ARG HD3 H -1.952 0.546 3.007 1.00 . A A . 9 ARG HD3 1 1 5 1003 1 1 9 ARG HE H -1.210 -2.102 3.874 1.00 . A A . 9 ARG HE 1 1 5 1004 1 1 9 ARG HG2 H 0.642 -0.971 2.644 1.00 . A A . 9 ARG HG2 1 1 5 1005 1 1 9 ARG HG3 H 0.157 0.512 1.818 1.00 . A A . 9 ARG HG3 1 1 5 1006 1 1 9 ARG HH11 H -3.305 0.683 4.556 1.00 . A A . 9 ARG HH11 1 1 5 1007 1 1 9 ARG HH12 H -4.527 -0.212 5.317 1.00 . A A . 9 ARG HH12 1 1 5 1008 1 1 9 ARG HH21 H -2.919 -3.356 4.939 1.00 . A A . 9 ARG HH21 1 1 5 1009 1 1 9 ARG HH22 H -4.300 -2.557 5.502 1.00 . A A . 9 ARG HH22 1 1 5 1010 1 1 9 ARG N N -0.813 -1.994 -1.069 1.00 . A A . 9 ARG N 1 1 5 1011 1 1 9 ARG NE N -1.757 -1.287 3.986 1.00 . A A . 9 ARG NE 1 1 5 1012 1 1 9 ARG NH1 N -3.641 -0.218 4.839 1.00 . A A . 9 ARG NH1 1 1 5 1013 1 1 9 ARG NH2 N -3.412 -2.488 5.045 1.00 . A A . 9 ARG NH2 1 1 5 1014 1 1 9 ARG O O 2.209 -2.066 0.628 1.00 . A A . 9 ARG O 1 1 5 1015 1 1 10 ASN C C 2.720 -4.861 -0.375 1.00 . A A . 10 ASN C 1 1 5 1016 1 1 10 ASN CA C 1.561 -4.816 0.618 1.00 . A A . 10 ASN CA 1 1 5 1017 1 1 10 ASN CB C 0.741 -6.117 0.559 1.00 . A A . 10 ASN CB 1 1 5 1018 1 1 10 ASN CG C 1.546 -7.390 0.794 1.00 . A A . 10 ASN CG 1 1 5 1019 1 1 10 ASN H H -0.291 -3.795 0.218 1.00 . A A . 10 ASN H 1 1 5 1020 1 1 10 ASN HA H 1.971 -4.700 1.606 1.00 . A A . 10 ASN HA 1 1 5 1021 1 1 10 ASN HB2 H -0.032 -6.074 1.310 1.00 . A A . 10 ASN HB2 1 1 5 1022 1 1 10 ASN HB3 H 0.275 -6.183 -0.414 1.00 . A A . 10 ASN HB3 1 1 5 1023 1 1 10 ASN HD21 H 1.164 -7.323 2.735 1.00 . A A . 10 ASN HD21 1 1 5 1024 1 1 10 ASN HD22 H 2.116 -8.654 2.184 1.00 . A A . 10 ASN HD22 1 1 5 1025 1 1 10 ASN N N 0.676 -3.662 0.353 1.00 . A A . 10 ASN N 1 1 5 1026 1 1 10 ASN ND2 N 1.618 -7.824 2.026 1.00 . A A . 10 ASN ND2 1 1 5 1027 1 1 10 ASN O O 3.810 -5.340 -0.072 1.00 . A A . 10 ASN O 1 1 5 1028 1 1 10 ASN OD1 O 2.074 -7.994 -0.141 1.00 . A A . 10 ASN OD1 1 1 5 1029 1 1 11 LYS C C 4.209 -2.951 -2.551 1.00 . A A . 11 LYS C 1 1 5 1030 1 1 11 LYS CA C 3.431 -4.254 -2.597 1.00 . A A . 11 LYS CA 1 1 5 1031 1 1 11 LYS CB C 2.689 -4.332 -3.921 1.00 . A A . 11 LYS CB 1 1 5 1032 1 1 11 LYS CD C 2.855 -6.838 -4.101 1.00 . A A . 11 LYS CD 1 1 5 1033 1 1 11 LYS CE C 2.110 -8.135 -4.358 1.00 . A A . 11 LYS CE 1 1 5 1034 1 1 11 LYS CG C 1.928 -5.632 -4.150 1.00 . A A . 11 LYS CG 1 1 5 1035 1 1 11 LYS H H 1.593 -3.940 -1.718 1.00 . A A . 11 LYS H 1 1 5 1036 1 1 11 LYS HA H 4.104 -5.094 -2.538 1.00 . A A . 11 LYS HA 1 1 5 1037 1 1 11 LYS HB2 H 1.995 -3.502 -3.961 1.00 . A A . 11 LYS HB2 1 1 5 1038 1 1 11 LYS HB3 H 3.396 -4.179 -4.713 1.00 . A A . 11 LYS HB3 1 1 5 1039 1 1 11 LYS HD2 H 3.627 -6.727 -4.847 1.00 . A A . 11 LYS HD2 1 1 5 1040 1 1 11 LYS HD3 H 3.310 -6.889 -3.122 1.00 . A A . 11 LYS HD3 1 1 5 1041 1 1 11 LYS HE2 H 2.802 -8.957 -4.260 1.00 . A A . 11 LYS HE2 1 1 5 1042 1 1 11 LYS HE3 H 1.330 -8.239 -3.619 1.00 . A A . 11 LYS HE3 1 1 5 1043 1 1 11 LYS HG2 H 1.178 -5.736 -3.380 1.00 . A A . 11 LYS HG2 1 1 5 1044 1 1 11 LYS HG3 H 1.449 -5.592 -5.117 1.00 . A A . 11 LYS HG3 1 1 5 1045 1 1 11 LYS HZ1 H 1.031 -9.103 -5.851 1.00 . A A . 11 LYS HZ1 1 1 5 1046 1 1 11 LYS HZ2 H 2.220 -8.070 -6.456 1.00 . A A . 11 LYS HZ2 1 1 5 1047 1 1 11 LYS HZ3 H 0.796 -7.441 -5.835 1.00 . A A . 11 LYS HZ3 1 1 5 1048 1 1 11 LYS N N 2.475 -4.318 -1.539 1.00 . A A . 11 LYS N 1 1 5 1049 1 1 11 LYS NZ N 1.508 -8.190 -5.709 1.00 . A A . 11 LYS NZ 1 1 5 1050 1 1 11 LYS O O 5.051 -2.702 -3.399 1.00 . A A . 11 LYS O 1 1 5 1051 1 1 12 HIS C C 4.845 -0.380 -0.070 1.00 . A A . 12 HIS C 1 1 5 1052 1 1 12 HIS CA C 4.539 -0.790 -1.518 1.00 . A A . 12 HIS CA 1 1 5 1053 1 1 12 HIS CB C 3.590 0.252 -2.164 1.00 . A A . 12 HIS CB 1 1 5 1054 1 1 12 HIS CD2 C 2.225 -0.570 -4.188 1.00 . A A . 12 HIS CD2 1 1 5 1055 1 1 12 HIS CE1 C 3.642 -0.168 -5.771 1.00 . A A . 12 HIS CE1 1 1 5 1056 1 1 12 HIS CG C 3.303 -0.002 -3.614 1.00 . A A . 12 HIS CG 1 1 5 1057 1 1 12 HIS H H 3.309 -2.380 -0.856 1.00 . A A . 12 HIS H 1 1 5 1058 1 1 12 HIS HA H 5.456 -0.813 -2.086 1.00 . A A . 12 HIS HA 1 1 5 1059 1 1 12 HIS HB2 H 2.646 0.211 -1.639 1.00 . A A . 12 HIS HB2 1 1 5 1060 1 1 12 HIS HB3 H 3.997 1.245 -2.056 1.00 . A A . 12 HIS HB3 1 1 5 1061 1 1 12 HIS HD1 H 5.088 0.645 -4.539 1.00 . A A . 12 HIS HD1 1 1 5 1062 1 1 12 HIS HD2 H 1.356 -0.903 -3.636 1.00 . A A . 12 HIS HD2 1 1 5 1063 1 1 12 HIS HE1 H 4.125 -0.120 -6.736 1.00 . A A . 12 HIS HE1 1 1 5 1064 1 1 12 HIS N N 3.921 -2.114 -1.580 1.00 . A A . 12 HIS N 1 1 5 1065 1 1 12 HIS ND1 N 4.191 0.250 -4.633 1.00 . A A . 12 HIS ND1 1 1 5 1066 1 1 12 HIS NE2 N 2.434 -0.677 -5.563 1.00 . A A . 12 HIS NE2 1 1 5 1067 1 1 12 HIS O O 4.530 0.745 0.333 1.00 . A A . 12 HIS O 1 1 5 1068 1 1 13 PRO C C 6.799 0.133 2.382 1.00 . A A . 13 PRO C 1 1 5 1069 1 1 13 PRO CA C 5.775 -0.969 2.134 1.00 . A A . 13 PRO CA 1 1 5 1070 1 1 13 PRO CB C 6.283 -2.311 2.688 1.00 . A A . 13 PRO CB 1 1 5 1071 1 1 13 PRO CD C 6.252 -2.457 0.297 1.00 . A A . 13 PRO CD 1 1 5 1072 1 1 13 PRO CG C 6.217 -3.276 1.542 1.00 . A A . 13 PRO CG 1 1 5 1073 1 1 13 PRO HA H 4.851 -0.701 2.624 1.00 . A A . 13 PRO HA 1 1 5 1074 1 1 13 PRO HB2 H 7.296 -2.188 3.041 1.00 . A A . 13 PRO HB2 1 1 5 1075 1 1 13 PRO HB3 H 5.652 -2.628 3.505 1.00 . A A . 13 PRO HB3 1 1 5 1076 1 1 13 PRO HD2 H 7.271 -2.250 0.003 1.00 . A A . 13 PRO HD2 1 1 5 1077 1 1 13 PRO HD3 H 5.714 -2.946 -0.501 1.00 . A A . 13 PRO HD3 1 1 5 1078 1 1 13 PRO HG2 H 7.074 -3.931 1.572 1.00 . A A . 13 PRO HG2 1 1 5 1079 1 1 13 PRO HG3 H 5.303 -3.849 1.594 1.00 . A A . 13 PRO HG3 1 1 5 1080 1 1 13 PRO N N 5.559 -1.226 0.714 1.00 . A A . 13 PRO N 1 1 5 1081 1 1 13 PRO O O 6.870 0.690 3.478 1.00 . A A . 13 PRO O 1 1 5 1082 1 1 14 ASP C C 7.930 2.863 1.666 1.00 . A A . 14 ASP C 1 1 5 1083 1 1 14 ASP CA C 8.584 1.502 1.502 1.00 . A A . 14 ASP CA 1 1 5 1084 1 1 14 ASP CB C 9.563 1.525 0.332 1.00 . A A . 14 ASP CB 1 1 5 1085 1 1 14 ASP CG C 10.621 2.595 0.521 1.00 . A A . 14 ASP CG 1 1 5 1086 1 1 14 ASP H H 7.464 -0.035 0.524 1.00 . A A . 14 ASP H 1 1 5 1087 1 1 14 ASP HA H 9.126 1.283 2.410 1.00 . A A . 14 ASP HA 1 1 5 1088 1 1 14 ASP HB2 H 10.049 0.565 0.252 1.00 . A A . 14 ASP HB2 1 1 5 1089 1 1 14 ASP HB3 H 9.024 1.734 -0.581 1.00 . A A . 14 ASP HB3 1 1 5 1090 1 1 14 ASP N N 7.577 0.460 1.363 1.00 . A A . 14 ASP N 1 1 5 1091 1 1 14 ASP O O 8.343 3.675 2.511 1.00 . A A . 14 ASP O 1 1 5 1092 1 1 14 ASP OD1 O 11.542 2.392 1.339 1.00 . A A . 14 ASP OD1 1 1 5 1093 1 1 14 ASP OD2 O 10.537 3.659 -0.125 1.00 . A A . 14 ASP OD2 1 1 5 1094 1 1 15 LEU C C 5.001 4.226 1.908 1.00 . A A . 15 LEU C 1 1 5 1095 1 1 15 LEU CA C 6.190 4.346 0.976 1.00 . A A . 15 LEU CA 1 1 5 1096 1 1 15 LEU CB C 5.768 4.933 -0.405 1.00 . A A . 15 LEU CB 1 1 5 1097 1 1 15 LEU CD1 C 4.167 4.908 -2.347 1.00 . A A . 15 LEU CD1 1 1 5 1098 1 1 15 LEU CD2 C 5.865 3.124 -2.158 1.00 . A A . 15 LEU CD2 1 1 5 1099 1 1 15 LEU CG C 4.946 4.042 -1.366 1.00 . A A . 15 LEU CG 1 1 5 1100 1 1 15 LEU H H 6.601 2.421 0.267 1.00 . A A . 15 LEU H 1 1 5 1101 1 1 15 LEU HA H 6.899 5.014 1.432 1.00 . A A . 15 LEU HA 1 1 5 1102 1 1 15 LEU HB2 H 5.187 5.822 -0.215 1.00 . A A . 15 LEU HB2 1 1 5 1103 1 1 15 LEU HB3 H 6.670 5.235 -0.917 1.00 . A A . 15 LEU HB3 1 1 5 1104 1 1 15 LEU HD11 H 3.502 5.565 -1.806 1.00 . A A . 15 LEU HD11 1 1 5 1105 1 1 15 LEU HD12 H 3.582 4.273 -2.998 1.00 . A A . 15 LEU HD12 1 1 5 1106 1 1 15 LEU HD13 H 4.853 5.494 -2.941 1.00 . A A . 15 LEU HD13 1 1 5 1107 1 1 15 LEU HD21 H 6.370 2.428 -1.507 1.00 . A A . 15 LEU HD21 1 1 5 1108 1 1 15 LEU HD22 H 6.602 3.727 -2.667 1.00 . A A . 15 LEU HD22 1 1 5 1109 1 1 15 LEU HD23 H 5.289 2.583 -2.895 1.00 . A A . 15 LEU HD23 1 1 5 1110 1 1 15 LEU HG H 4.250 3.434 -0.807 1.00 . A A . 15 LEU HG 1 1 5 1111 1 1 15 LEU N N 6.901 3.106 0.894 1.00 . A A . 15 LEU N 1 1 5 1112 1 1 15 LEU O O 4.874 4.990 2.864 1.00 . A A . 15 LEU O 1 1 5 1113 1 1 16 CYS C C 3.275 2.207 3.671 1.00 . A A . 16 CYS C 1 1 5 1114 1 1 16 CYS CA C 2.998 3.024 2.429 1.00 . A A . 16 CYS CA 1 1 5 1115 1 1 16 CYS CB C 2.015 2.292 1.550 1.00 . A A . 16 CYS CB 1 1 5 1116 1 1 16 CYS H H 4.366 2.518 1.024 1.00 . A A . 16 CYS H 1 1 5 1117 1 1 16 CYS HA H 2.579 3.985 2.689 1.00 . A A . 16 CYS HA 1 1 5 1118 1 1 16 CYS HB2 H 2.375 1.291 1.363 1.00 . A A . 16 CYS HB2 1 1 5 1119 1 1 16 CYS HB3 H 1.084 2.249 2.085 1.00 . A A . 16 CYS HB3 1 1 5 1120 1 1 16 CYS N N 4.199 3.214 1.696 1.00 . A A . 16 CYS N 1 1 5 1121 1 1 16 CYS O O 3.318 0.978 3.622 1.00 . A A . 16 CYS O 1 1 5 1122 1 1 16 CYS SG S 1.707 3.089 -0.048 1.00 . A A . 16 CYS SG 1 1 5 1123 1 1 17 NH2 HN1 H 3.442 3.859 4.716 1.00 . A A . 17 NH2 HN1 1 1 5 1124 1 1 17 NH2 HN2 H 3.709 2.388 5.589 1.00 . A A . 17 NH2 HN2 1 1 5 1125 1 1 17 NH2 N N 3.498 2.880 4.769 1.00 . A A . 17 NH2 N 1 1 6 1126 1 1 1 GLY C C -4.867 4.856 -2.797 1.00 . A A . 1 GLY C 1 1 6 1127 1 1 1 GLY CA C -5.129 6.327 -2.655 1.00 . A A . 1 GLY CA 1 1 6 1128 1 1 1 GLY H1 H -6.190 6.488 -4.409 1.00 . A A . 1 GLY H1 1 1 6 1129 1 1 1 GLY H2 H -4.551 6.825 -4.580 1.00 . A A . 1 GLY H2 1 1 6 1130 1 1 1 GLY H3 H -5.573 7.956 -3.850 1.00 . A A . 1 GLY H3 1 1 6 1131 1 1 1 GLY HA2 H -4.271 6.796 -2.198 1.00 . A A . 1 GLY HA2 1 1 6 1132 1 1 1 GLY HA3 H -5.999 6.474 -2.031 1.00 . A A . 1 GLY HA3 1 1 6 1133 1 1 1 GLY N N -5.373 6.943 -3.956 1.00 . A A . 1 GLY N 1 1 6 1134 1 1 1 GLY O O -5.729 4.035 -2.505 1.00 . A A . 1 GLY O 1 1 6 1135 1 1 2 CYS C C -2.941 2.461 -2.195 1.00 . A A . 2 CYS C 1 1 6 1136 1 1 2 CYS CA C -3.335 3.127 -3.490 1.00 . A A . 2 CYS CA 1 1 6 1137 1 1 2 CYS CB C -2.181 3.067 -4.466 1.00 . A A . 2 CYS CB 1 1 6 1138 1 1 2 CYS H H -2.991 5.204 -3.370 1.00 . A A . 2 CYS H 1 1 6 1139 1 1 2 CYS HA H -4.189 2.623 -3.913 1.00 . A A . 2 CYS HA 1 1 6 1140 1 1 2 CYS HB2 H -2.238 3.944 -5.088 1.00 . A A . 2 CYS HB2 1 1 6 1141 1 1 2 CYS HB3 H -1.267 3.136 -3.895 1.00 . A A . 2 CYS HB3 1 1 6 1142 1 1 2 CYS N N -3.678 4.514 -3.229 1.00 . A A . 2 CYS N 1 1 6 1143 1 1 2 CYS O O -3.245 1.309 -1.957 1.00 . A A . 2 CYS O 1 1 6 1144 1 1 2 CYS SG S -2.107 1.542 -5.479 1.00 . A A . 2 CYS SG 1 1 6 1145 1 1 3 CYS C C -3.066 2.490 0.901 1.00 . A A . 3 CYS C 1 1 6 1146 1 1 3 CYS CA C -1.869 2.746 -0.034 1.00 . A A . 3 CYS CA 1 1 6 1147 1 1 3 CYS CB C -0.875 3.745 0.586 1.00 . A A . 3 CYS CB 1 1 6 1148 1 1 3 CYS H H -2.145 4.150 -1.623 1.00 . A A . 3 CYS H 1 1 6 1149 1 1 3 CYS HA H -1.366 1.805 -0.198 1.00 . A A . 3 CYS HA 1 1 6 1150 1 1 3 CYS HB2 H -0.055 3.895 -0.099 1.00 . A A . 3 CYS HB2 1 1 6 1151 1 1 3 CYS HB3 H -1.376 4.689 0.738 1.00 . A A . 3 CYS HB3 1 1 6 1152 1 1 3 CYS N N -2.322 3.226 -1.339 1.00 . A A . 3 CYS N 1 1 6 1153 1 1 3 CYS O O -2.939 1.850 1.941 1.00 . A A . 3 CYS O 1 1 6 1154 1 1 3 CYS SG S -0.152 3.242 2.188 1.00 . A A . 3 CYS SG 1 1 6 1155 1 1 4 SER C C -6.064 1.388 0.815 1.00 . A A . 4 SER C 1 1 6 1156 1 1 4 SER CA C -5.438 2.722 1.259 1.00 . A A . 4 SER CA 1 1 6 1157 1 1 4 SER CB C -6.410 3.886 1.042 1.00 . A A . 4 SER CB 1 1 6 1158 1 1 4 SER H H -4.288 3.469 -0.329 1.00 . A A . 4 SER H 1 1 6 1159 1 1 4 SER HA H -5.170 2.661 2.303 1.00 . A A . 4 SER HA 1 1 6 1160 1 1 4 SER HB2 H -5.894 4.818 1.206 1.00 . A A . 4 SER HB2 1 1 6 1161 1 1 4 SER HB3 H -6.760 3.855 0.021 1.00 . A A . 4 SER HB3 1 1 6 1162 1 1 4 SER HG H -8.265 4.283 1.497 1.00 . A A . 4 SER HG 1 1 6 1163 1 1 4 SER N N -4.237 2.944 0.497 1.00 . A A . 4 SER N 1 1 6 1164 1 1 4 SER O O -7.021 0.886 1.417 1.00 . A A . 4 SER O 1 1 6 1165 1 1 4 SER OG O -7.529 3.820 1.916 1.00 . A A . 4 SER OG 1 1 6 1166 1 1 5 ASP C C -4.854 -1.485 -0.313 1.00 . A A . 5 ASP C 1 1 6 1167 1 1 5 ASP CA C -5.888 -0.463 -0.746 1.00 . A A . 5 ASP CA 1 1 6 1168 1 1 5 ASP CB C -5.969 -0.390 -2.280 1.00 . A A . 5 ASP CB 1 1 6 1169 1 1 5 ASP CG C -6.149 -1.733 -2.957 1.00 . A A . 5 ASP CG 1 1 6 1170 1 1 5 ASP H H -4.723 1.258 -0.646 1.00 . A A . 5 ASP H 1 1 6 1171 1 1 5 ASP HA H -6.855 -0.719 -0.342 1.00 . A A . 5 ASP HA 1 1 6 1172 1 1 5 ASP HB2 H -6.806 0.235 -2.554 1.00 . A A . 5 ASP HB2 1 1 6 1173 1 1 5 ASP HB3 H -5.062 0.064 -2.652 1.00 . A A . 5 ASP HB3 1 1 6 1174 1 1 5 ASP N N -5.490 0.819 -0.217 1.00 . A A . 5 ASP N 1 1 6 1175 1 1 5 ASP O O -3.702 -1.411 -0.739 1.00 . A A . 5 ASP O 1 1 6 1176 1 1 5 ASP OD1 O -7.279 -2.280 -2.960 1.00 . A A . 5 ASP OD1 1 1 6 1177 1 1 5 ASP OD2 O -5.169 -2.249 -3.532 1.00 . A A . 5 ASP OD2 1 1 6 1178 1 1 6 PRO C C -3.461 -4.193 0.049 1.00 . A A . 6 PRO C 1 1 6 1179 1 1 6 PRO CA C -4.301 -3.427 1.120 1.00 . A A . 6 PRO CA 1 1 6 1180 1 1 6 PRO CB C -5.187 -4.360 1.956 1.00 . A A . 6 PRO CB 1 1 6 1181 1 1 6 PRO CD C -6.576 -2.548 1.185 1.00 . A A . 6 PRO CD 1 1 6 1182 1 1 6 PRO CG C -6.371 -3.524 2.320 1.00 . A A . 6 PRO CG 1 1 6 1183 1 1 6 PRO HA H -3.587 -2.937 1.765 1.00 . A A . 6 PRO HA 1 1 6 1184 1 1 6 PRO HB2 H -5.463 -5.230 1.379 1.00 . A A . 6 PRO HB2 1 1 6 1185 1 1 6 PRO HB3 H -4.649 -4.674 2.838 1.00 . A A . 6 PRO HB3 1 1 6 1186 1 1 6 PRO HD2 H -7.276 -2.947 0.466 1.00 . A A . 6 PRO HD2 1 1 6 1187 1 1 6 PRO HD3 H -6.923 -1.600 1.568 1.00 . A A . 6 PRO HD3 1 1 6 1188 1 1 6 PRO HG2 H -7.243 -4.152 2.434 1.00 . A A . 6 PRO HG2 1 1 6 1189 1 1 6 PRO HG3 H -6.175 -2.991 3.238 1.00 . A A . 6 PRO HG3 1 1 6 1190 1 1 6 PRO N N -5.226 -2.415 0.588 1.00 . A A . 6 PRO N 1 1 6 1191 1 1 6 PRO O O -2.240 -4.263 0.204 1.00 . A A . 6 PRO O 1 1 6 1192 1 1 7 PRO C C -2.209 -4.574 -2.729 1.00 . A A . 7 PRO C 1 1 6 1193 1 1 7 PRO CA C -3.290 -5.458 -2.102 1.00 . A A . 7 PRO CA 1 1 6 1194 1 1 7 PRO CB C -4.340 -5.832 -3.144 1.00 . A A . 7 PRO CB 1 1 6 1195 1 1 7 PRO CD C -5.511 -4.797 -1.376 1.00 . A A . 7 PRO CD 1 1 6 1196 1 1 7 PRO CG C -5.599 -5.898 -2.377 1.00 . A A . 7 PRO CG 1 1 6 1197 1 1 7 PRO HA H -2.829 -6.349 -1.706 1.00 . A A . 7 PRO HA 1 1 6 1198 1 1 7 PRO HB2 H -4.377 -5.065 -3.903 1.00 . A A . 7 PRO HB2 1 1 6 1199 1 1 7 PRO HB3 H -4.096 -6.785 -3.590 1.00 . A A . 7 PRO HB3 1 1 6 1200 1 1 7 PRO HD2 H -5.840 -3.865 -1.814 1.00 . A A . 7 PRO HD2 1 1 6 1201 1 1 7 PRO HD3 H -6.096 -5.030 -0.500 1.00 . A A . 7 PRO HD3 1 1 6 1202 1 1 7 PRO HG2 H -6.443 -5.753 -3.034 1.00 . A A . 7 PRO HG2 1 1 6 1203 1 1 7 PRO HG3 H -5.669 -6.851 -1.874 1.00 . A A . 7 PRO HG3 1 1 6 1204 1 1 7 PRO N N -4.064 -4.754 -1.061 1.00 . A A . 7 PRO N 1 1 6 1205 1 1 7 PRO O O -1.122 -5.057 -3.087 1.00 . A A . 7 PRO O 1 1 6 1206 1 1 8 CYS C C -0.510 -2.051 -2.304 1.00 . A A . 8 CYS C 1 1 6 1207 1 1 8 CYS CA C -1.539 -2.360 -3.377 1.00 . A A . 8 CYS CA 1 1 6 1208 1 1 8 CYS CB C -2.201 -1.065 -3.873 1.00 . A A . 8 CYS CB 1 1 6 1209 1 1 8 CYS H H -3.418 -2.986 -2.669 1.00 . A A . 8 CYS H 1 1 6 1210 1 1 8 CYS HA H -1.031 -2.831 -4.205 1.00 . A A . 8 CYS HA 1 1 6 1211 1 1 8 CYS HB2 H -2.827 -1.292 -4.723 1.00 . A A . 8 CYS HB2 1 1 6 1212 1 1 8 CYS HB3 H -2.811 -0.657 -3.081 1.00 . A A . 8 CYS HB3 1 1 6 1213 1 1 8 CYS N N -2.509 -3.300 -2.881 1.00 . A A . 8 CYS N 1 1 6 1214 1 1 8 CYS O O 0.672 -2.248 -2.514 1.00 . A A . 8 CYS O 1 1 6 1215 1 1 8 CYS SG S -1.009 0.232 -4.389 1.00 . A A . 8 CYS SG 1 1 6 1216 1 1 9 ARG C C 0.908 -2.262 0.334 1.00 . A A . 9 ARG C 1 1 6 1217 1 1 9 ARG CA C -0.122 -1.215 -0.011 1.00 . A A . 9 ARG CA 1 1 6 1218 1 1 9 ARG CB C -0.969 -1.010 1.206 1.00 . A A . 9 ARG CB 1 1 6 1219 1 1 9 ARG CD C -1.072 -0.312 3.603 1.00 . A A . 9 ARG CD 1 1 6 1220 1 1 9 ARG CG C -0.203 -0.430 2.368 1.00 . A A . 9 ARG CG 1 1 6 1221 1 1 9 ARG CZ C -0.783 0.208 6.024 1.00 . A A . 9 ARG CZ 1 1 6 1222 1 1 9 ARG H H -1.956 -1.633 -0.991 1.00 . A A . 9 ARG H 1 1 6 1223 1 1 9 ARG HA H 0.371 -0.284 -0.254 1.00 . A A . 9 ARG HA 1 1 6 1224 1 1 9 ARG HB2 H -1.831 -0.433 0.932 1.00 . A A . 9 ARG HB2 1 1 6 1225 1 1 9 ARG HB3 H -1.328 -1.985 1.500 1.00 . A A . 9 ARG HB3 1 1 6 1226 1 1 9 ARG HD2 H -1.834 0.432 3.423 1.00 . A A . 9 ARG HD2 1 1 6 1227 1 1 9 ARG HD3 H -1.540 -1.268 3.790 1.00 . A A . 9 ARG HD3 1 1 6 1228 1 1 9 ARG HE H 0.665 0.209 4.621 1.00 . A A . 9 ARG HE 1 1 6 1229 1 1 9 ARG HG2 H 0.646 -1.071 2.556 1.00 . A A . 9 ARG HG2 1 1 6 1230 1 1 9 ARG HG3 H 0.150 0.544 2.063 1.00 . A A . 9 ARG HG3 1 1 6 1231 1 1 9 ARG HH11 H -2.750 -0.108 5.524 1.00 . A A . 9 ARG HH11 1 1 6 1232 1 1 9 ARG HH12 H -2.478 0.147 7.182 1.00 . A A . 9 ARG HH12 1 1 6 1233 1 1 9 ARG HH21 H 1.034 0.588 6.870 1.00 . A A . 9 ARG HH21 1 1 6 1234 1 1 9 ARG HH22 H -0.283 0.609 7.966 1.00 . A A . 9 ARG HH22 1 1 6 1235 1 1 9 ARG N N -0.979 -1.644 -1.131 1.00 . A A . 9 ARG N 1 1 6 1236 1 1 9 ARG NE N -0.297 0.075 4.783 1.00 . A A . 9 ARG NE 1 1 6 1237 1 1 9 ARG NH1 N -2.089 0.081 6.258 1.00 . A A . 9 ARG NH1 1 1 6 1238 1 1 9 ARG NH2 N 0.047 0.483 7.025 1.00 . A A . 9 ARG NH2 1 1 6 1239 1 1 9 ARG O O 2.059 -1.954 0.622 1.00 . A A . 9 ARG O 1 1 6 1240 1 1 10 ASN C C 2.525 -4.765 -0.317 1.00 . A A . 10 ASN C 1 1 6 1241 1 1 10 ASN CA C 1.311 -4.648 0.620 1.00 . A A . 10 ASN CA 1 1 6 1242 1 1 10 ASN CB C 0.475 -5.944 0.627 1.00 . A A . 10 ASN CB 1 1 6 1243 1 1 10 ASN CG C 1.284 -7.189 0.958 1.00 . A A . 10 ASN CG 1 1 6 1244 1 1 10 ASN H H -0.498 -3.561 0.130 1.00 . A A . 10 ASN H 1 1 6 1245 1 1 10 ASN HA H 1.706 -4.484 1.607 1.00 . A A . 10 ASN HA 1 1 6 1246 1 1 10 ASN HB2 H -0.311 -5.849 1.361 1.00 . A A . 10 ASN HB2 1 1 6 1247 1 1 10 ASN HB3 H 0.028 -6.075 -0.348 1.00 . A A . 10 ASN HB3 1 1 6 1248 1 1 10 ASN HD21 H 1.453 -7.646 -0.955 1.00 . A A . 10 ASN HD21 1 1 6 1249 1 1 10 ASN HD22 H 2.221 -8.722 0.154 1.00 . A A . 10 ASN HD22 1 1 6 1250 1 1 10 ASN N N 0.468 -3.479 0.316 1.00 . A A . 10 ASN N 1 1 6 1251 1 1 10 ASN ND2 N 1.691 -7.923 -0.043 1.00 . A A . 10 ASN ND2 1 1 6 1252 1 1 10 ASN O O 3.535 -5.380 0.021 1.00 . A A . 10 ASN O 1 1 6 1253 1 1 10 ASN OD1 O 1.487 -7.515 2.127 1.00 . A A . 10 ASN OD1 1 1 6 1254 1 1 11 LYS C C 4.323 -2.907 -2.271 1.00 . A A . 11 LYS C 1 1 6 1255 1 1 11 LYS CA C 3.503 -4.166 -2.404 1.00 . A A . 11 LYS CA 1 1 6 1256 1 1 11 LYS CB C 2.949 -4.239 -3.802 1.00 . A A . 11 LYS CB 1 1 6 1257 1 1 11 LYS CD C 1.804 -5.548 -5.564 1.00 . A A . 11 LYS CD 1 1 6 1258 1 1 11 LYS CE C 1.051 -6.811 -5.891 1.00 . A A . 11 LYS CE 1 1 6 1259 1 1 11 LYS CG C 2.224 -5.519 -4.118 1.00 . A A . 11 LYS CG 1 1 6 1260 1 1 11 LYS H H 1.629 -3.671 -1.728 1.00 . A A . 11 LYS H 1 1 6 1261 1 1 11 LYS HA H 4.125 -5.032 -2.237 1.00 . A A . 11 LYS HA 1 1 6 1262 1 1 11 LYS HB2 H 2.259 -3.416 -3.923 1.00 . A A . 11 LYS HB2 1 1 6 1263 1 1 11 LYS HB3 H 3.755 -4.094 -4.496 1.00 . A A . 11 LYS HB3 1 1 6 1264 1 1 11 LYS HD2 H 1.163 -4.702 -5.758 1.00 . A A . 11 LYS HD2 1 1 6 1265 1 1 11 LYS HD3 H 2.685 -5.487 -6.185 1.00 . A A . 11 LYS HD3 1 1 6 1266 1 1 11 LYS HE2 H 0.872 -6.840 -6.955 1.00 . A A . 11 LYS HE2 1 1 6 1267 1 1 11 LYS HE3 H 1.664 -7.653 -5.608 1.00 . A A . 11 LYS HE3 1 1 6 1268 1 1 11 LYS HG2 H 2.879 -6.355 -3.922 1.00 . A A . 11 LYS HG2 1 1 6 1269 1 1 11 LYS HG3 H 1.346 -5.590 -3.492 1.00 . A A . 11 LYS HG3 1 1 6 1270 1 1 11 LYS HZ1 H -0.688 -7.809 -5.375 1.00 . A A . 11 LYS HZ1 1 1 6 1271 1 1 11 LYS HZ2 H -0.886 -6.152 -5.515 1.00 . A A . 11 LYS HZ2 1 1 6 1272 1 1 11 LYS HZ3 H -0.128 -6.790 -4.152 1.00 . A A . 11 LYS HZ3 1 1 6 1273 1 1 11 LYS N N 2.436 -4.164 -1.465 1.00 . A A . 11 LYS N 1 1 6 1274 1 1 11 LYS NZ N -0.237 -6.892 -5.181 1.00 . A A . 11 LYS NZ 1 1 6 1275 1 1 11 LYS O O 5.387 -2.783 -2.871 1.00 . A A . 11 LYS O 1 1 6 1276 1 1 12 HIS C C 4.728 -0.267 0.111 1.00 . A A . 12 HIS C 1 1 6 1277 1 1 12 HIS CA C 4.494 -0.686 -1.353 1.00 . A A . 12 HIS CA 1 1 6 1278 1 1 12 HIS CB C 3.611 0.374 -2.055 1.00 . A A . 12 HIS CB 1 1 6 1279 1 1 12 HIS CD2 C 2.346 -0.545 -4.077 1.00 . A A . 12 HIS CD2 1 1 6 1280 1 1 12 HIS CE1 C 3.676 0.003 -5.678 1.00 . A A . 12 HIS CE1 1 1 6 1281 1 1 12 HIS CG C 3.363 0.109 -3.509 1.00 . A A . 12 HIS CG 1 1 6 1282 1 1 12 HIS H H 3.098 -2.192 -0.867 1.00 . A A . 12 HIS H 1 1 6 1283 1 1 12 HIS HA H 5.434 -0.739 -1.878 1.00 . A A . 12 HIS HA 1 1 6 1284 1 1 12 HIS HB2 H 2.648 0.361 -1.566 1.00 . A A . 12 HIS HB2 1 1 6 1285 1 1 12 HIS HB3 H 4.030 1.360 -1.939 1.00 . A A . 12 HIS HB3 1 1 6 1286 1 1 12 HIS HD1 H 5.046 0.973 -4.472 1.00 . A A . 12 HIS HD1 1 1 6 1287 1 1 12 HIS HD2 H 1.520 -0.962 -3.510 1.00 . A A . 12 HIS HD2 1 1 6 1288 1 1 12 HIS HE1 H 4.126 0.098 -6.654 1.00 . A A . 12 HIS HE1 1 1 6 1289 1 1 12 HIS N N 3.861 -1.991 -1.456 1.00 . A A . 12 HIS N 1 1 6 1290 1 1 12 HIS ND1 N 4.207 0.464 -4.538 1.00 . A A . 12 HIS ND1 1 1 6 1291 1 1 12 HIS NE2 N 2.535 -0.620 -5.448 1.00 . A A . 12 HIS NE2 1 1 6 1292 1 1 12 HIS O O 4.467 0.893 0.463 1.00 . A A . 12 HIS O 1 1 6 1293 1 1 13 PRO C C 6.703 0.110 2.602 1.00 . A A . 13 PRO C 1 1 6 1294 1 1 13 PRO CA C 5.488 -0.809 2.399 1.00 . A A . 13 PRO CA 1 1 6 1295 1 1 13 PRO CB C 5.717 -2.181 3.042 1.00 . A A . 13 PRO CB 1 1 6 1296 1 1 13 PRO CD C 5.888 -2.489 0.679 1.00 . A A . 13 PRO CD 1 1 6 1297 1 1 13 PRO CG C 6.439 -2.956 1.998 1.00 . A A . 13 PRO CG 1 1 6 1298 1 1 13 PRO HA H 4.608 -0.341 2.812 1.00 . A A . 13 PRO HA 1 1 6 1299 1 1 13 PRO HB2 H 6.301 -2.082 3.944 1.00 . A A . 13 PRO HB2 1 1 6 1300 1 1 13 PRO HB3 H 4.764 -2.642 3.266 1.00 . A A . 13 PRO HB3 1 1 6 1301 1 1 13 PRO HD2 H 6.678 -2.408 -0.054 1.00 . A A . 13 PRO HD2 1 1 6 1302 1 1 13 PRO HD3 H 5.119 -3.161 0.328 1.00 . A A . 13 PRO HD3 1 1 6 1303 1 1 13 PRO HG2 H 7.498 -2.748 2.056 1.00 . A A . 13 PRO HG2 1 1 6 1304 1 1 13 PRO HG3 H 6.255 -4.012 2.127 1.00 . A A . 13 PRO HG3 1 1 6 1305 1 1 13 PRO N N 5.311 -1.143 0.985 1.00 . A A . 13 PRO N 1 1 6 1306 1 1 13 PRO O O 6.957 0.611 3.699 1.00 . A A . 13 PRO O 1 1 6 1307 1 1 14 ASP C C 8.240 2.624 1.357 1.00 . A A . 14 ASP C 1 1 6 1308 1 1 14 ASP CA C 8.613 1.166 1.554 1.00 . A A . 14 ASP CA 1 1 6 1309 1 1 14 ASP CB C 9.609 0.721 0.483 1.00 . A A . 14 ASP CB 1 1 6 1310 1 1 14 ASP CG C 10.921 1.474 0.534 1.00 . A A . 14 ASP CG 1 1 6 1311 1 1 14 ASP H H 7.133 -0.073 0.682 1.00 . A A . 14 ASP H 1 1 6 1312 1 1 14 ASP HA H 9.069 1.053 2.526 1.00 . A A . 14 ASP HA 1 1 6 1313 1 1 14 ASP HB2 H 9.820 -0.329 0.612 1.00 . A A . 14 ASP HB2 1 1 6 1314 1 1 14 ASP HB3 H 9.173 0.872 -0.492 1.00 . A A . 14 ASP HB3 1 1 6 1315 1 1 14 ASP N N 7.427 0.339 1.523 1.00 . A A . 14 ASP N 1 1 6 1316 1 1 14 ASP O O 8.742 3.504 2.062 1.00 . A A . 14 ASP O 1 1 6 1317 1 1 14 ASP OD1 O 11.855 1.011 1.240 1.00 . A A . 14 ASP OD1 1 1 6 1318 1 1 14 ASP OD2 O 11.068 2.504 -0.157 1.00 . A A . 14 ASP OD2 1 1 6 1319 1 1 15 LEU C C 5.745 4.649 1.048 1.00 . A A . 15 LEU C 1 1 6 1320 1 1 15 LEU CA C 6.925 4.248 0.174 1.00 . A A . 15 LEU CA 1 1 6 1321 1 1 15 LEU CB C 6.683 4.535 -1.341 1.00 . A A . 15 LEU CB 1 1 6 1322 1 1 15 LEU CD1 C 4.184 4.150 -1.756 1.00 . A A . 15 LEU CD1 1 1 6 1323 1 1 15 LEU CD2 C 5.828 3.836 -3.598 1.00 . A A . 15 LEU CD2 1 1 6 1324 1 1 15 LEU CG C 5.604 3.723 -2.107 1.00 . A A . 15 LEU CG 1 1 6 1325 1 1 15 LEU H H 6.972 2.170 -0.133 1.00 . A A . 15 LEU H 1 1 6 1326 1 1 15 LEU HA H 7.776 4.826 0.495 1.00 . A A . 15 LEU HA 1 1 6 1327 1 1 15 LEU HB2 H 6.417 5.577 -1.435 1.00 . A A . 15 LEU HB2 1 1 6 1328 1 1 15 LEU HB3 H 7.625 4.393 -1.848 1.00 . A A . 15 LEU HB3 1 1 6 1329 1 1 15 LEU HD11 H 4.053 5.194 -1.995 1.00 . A A . 15 LEU HD11 1 1 6 1330 1 1 15 LEU HD12 H 4.016 3.997 -0.701 1.00 . A A . 15 LEU HD12 1 1 6 1331 1 1 15 LEU HD13 H 3.480 3.559 -2.322 1.00 . A A . 15 LEU HD13 1 1 6 1332 1 1 15 LEU HD21 H 5.749 4.871 -3.893 1.00 . A A . 15 LEU HD21 1 1 6 1333 1 1 15 LEU HD22 H 5.088 3.251 -4.123 1.00 . A A . 15 LEU HD22 1 1 6 1334 1 1 15 LEU HD23 H 6.816 3.473 -3.839 1.00 . A A . 15 LEU HD23 1 1 6 1335 1 1 15 LEU HG H 5.700 2.682 -1.838 1.00 . A A . 15 LEU HG 1 1 6 1336 1 1 15 LEU N N 7.337 2.889 0.421 1.00 . A A . 15 LEU N 1 1 6 1337 1 1 15 LEU O O 5.518 5.834 1.292 1.00 . A A . 15 LEU O 1 1 6 1338 1 1 16 CYS C C 3.648 2.761 3.314 1.00 . A A . 16 CYS C 1 1 6 1339 1 1 16 CYS CA C 3.881 3.941 2.379 1.00 . A A . 16 CYS CA 1 1 6 1340 1 1 16 CYS CB C 2.622 4.272 1.574 1.00 . A A . 16 CYS CB 1 1 6 1341 1 1 16 CYS H H 5.167 2.743 1.254 1.00 . A A . 16 CYS H 1 1 6 1342 1 1 16 CYS HA H 4.145 4.798 2.981 1.00 . A A . 16 CYS HA 1 1 6 1343 1 1 16 CYS HB2 H 2.838 5.104 0.921 1.00 . A A . 16 CYS HB2 1 1 6 1344 1 1 16 CYS HB3 H 2.368 3.408 0.977 1.00 . A A . 16 CYS HB3 1 1 6 1345 1 1 16 CYS N N 4.993 3.675 1.508 1.00 . A A . 16 CYS N 1 1 6 1346 1 1 16 CYS O O 3.963 2.824 4.494 1.00 . A A . 16 CYS O 1 1 6 1347 1 1 16 CYS SG S 1.176 4.712 2.589 1.00 . A A . 16 CYS SG 1 1 6 1348 1 1 17 NH2 HN1 H 2.856 1.684 1.847 1.00 . A A . 17 NH2 HN1 1 1 6 1349 1 1 17 NH2 HN2 H 2.932 0.934 3.404 1.00 . A A . 17 NH2 HN2 1 1 6 1350 1 1 17 NH2 N N 3.090 1.690 2.799 1.00 . A A . 17 NH2 N 1 1 7 1351 1 1 1 GLY C C -5.339 4.475 -3.684 1.00 . A A . 1 GLY C 1 1 7 1352 1 1 1 GLY CA C -5.691 5.937 -3.727 1.00 . A A . 1 GLY CA 1 1 7 1353 1 1 1 GLY H1 H -6.043 5.955 -5.754 1.00 . A A . 1 GLY H1 1 1 7 1354 1 1 1 GLY H2 H -6.766 7.243 -4.919 1.00 . A A . 1 GLY H2 1 1 7 1355 1 1 1 GLY H3 H -7.413 5.680 -4.809 1.00 . A A . 1 GLY H3 1 1 7 1356 1 1 1 GLY HA2 H -4.781 6.513 -3.794 1.00 . A A . 1 GLY HA2 1 1 7 1357 1 1 1 GLY HA3 H -6.219 6.207 -2.824 1.00 . A A . 1 GLY HA3 1 1 7 1358 1 1 1 GLY N N -6.534 6.230 -4.880 1.00 . A A . 1 GLY N 1 1 7 1359 1 1 1 GLY O O -6.205 3.624 -3.477 1.00 . A A . 1 GLY O 1 1 7 1360 1 1 2 CYS C C -3.000 2.423 -2.615 1.00 . A A . 2 CYS C 1 1 7 1361 1 1 2 CYS CA C -3.631 2.808 -3.942 1.00 . A A . 2 CYS CA 1 1 7 1362 1 1 2 CYS CB C -2.600 2.688 -5.046 1.00 . A A . 2 CYS CB 1 1 7 1363 1 1 2 CYS H H -3.437 4.901 -4.011 1.00 . A A . 2 CYS H 1 1 7 1364 1 1 2 CYS HA H -4.465 2.159 -4.166 1.00 . A A . 2 CYS HA 1 1 7 1365 1 1 2 CYS HB2 H -2.804 3.461 -5.766 1.00 . A A . 2 CYS HB2 1 1 7 1366 1 1 2 CYS HB3 H -1.635 2.899 -4.608 1.00 . A A . 2 CYS HB3 1 1 7 1367 1 1 2 CYS N N -4.087 4.174 -3.882 1.00 . A A . 2 CYS N 1 1 7 1368 1 1 2 CYS O O -3.153 1.318 -2.136 1.00 . A A . 2 CYS O 1 1 7 1369 1 1 2 CYS SG S -2.516 1.051 -5.857 1.00 . A A . 2 CYS SG 1 1 7 1370 1 1 3 CYS C C -2.623 2.878 0.416 1.00 . A A . 3 CYS C 1 1 7 1371 1 1 3 CYS CA C -1.630 3.140 -0.734 1.00 . A A . 3 CYS CA 1 1 7 1372 1 1 3 CYS CB C -0.706 4.329 -0.407 1.00 . A A . 3 CYS CB 1 1 7 1373 1 1 3 CYS H H -2.311 4.255 -2.429 1.00 . A A . 3 CYS H 1 1 7 1374 1 1 3 CYS HA H -1.027 2.253 -0.863 1.00 . A A . 3 CYS HA 1 1 7 1375 1 1 3 CYS HB2 H -0.067 4.521 -1.255 1.00 . A A . 3 CYS HB2 1 1 7 1376 1 1 3 CYS HB3 H -1.313 5.203 -0.221 1.00 . A A . 3 CYS HB3 1 1 7 1377 1 1 3 CYS N N -2.337 3.370 -2.002 1.00 . A A . 3 CYS N 1 1 7 1378 1 1 3 CYS O O -2.277 2.295 1.438 1.00 . A A . 3 CYS O 1 1 7 1379 1 1 3 CYS SG S 0.376 4.083 1.049 1.00 . A A . 3 CYS SG 1 1 7 1380 1 1 4 SER C C -5.575 1.706 0.959 1.00 . A A . 4 SER C 1 1 7 1381 1 1 4 SER CA C -4.901 3.068 1.178 1.00 . A A . 4 SER CA 1 1 7 1382 1 1 4 SER CB C -5.900 4.181 1.007 1.00 . A A . 4 SER CB 1 1 7 1383 1 1 4 SER H H -4.099 3.747 -0.610 1.00 . A A . 4 SER H 1 1 7 1384 1 1 4 SER HA H -4.483 3.122 2.171 1.00 . A A . 4 SER HA 1 1 7 1385 1 1 4 SER HB2 H -6.394 4.071 0.053 1.00 . A A . 4 SER HB2 1 1 7 1386 1 1 4 SER HB3 H -6.619 4.141 1.807 1.00 . A A . 4 SER HB3 1 1 7 1387 1 1 4 SER HG H -4.530 5.377 1.690 1.00 . A A . 4 SER HG 1 1 7 1388 1 1 4 SER N N -3.863 3.268 0.212 1.00 . A A . 4 SER N 1 1 7 1389 1 1 4 SER O O -6.435 1.277 1.743 1.00 . A A . 4 SER O 1 1 7 1390 1 1 4 SER OG O -5.240 5.440 1.038 1.00 . A A . 4 SER OG 1 1 7 1391 1 1 5 ASP C C -4.648 -1.311 -0.033 1.00 . A A . 5 ASP C 1 1 7 1392 1 1 5 ASP CA C -5.660 -0.272 -0.452 1.00 . A A . 5 ASP CA 1 1 7 1393 1 1 5 ASP CB C -5.851 -0.325 -1.970 1.00 . A A . 5 ASP CB 1 1 7 1394 1 1 5 ASP CG C -6.227 -1.690 -2.480 1.00 . A A . 5 ASP CG 1 1 7 1395 1 1 5 ASP H H -4.423 1.394 -0.626 1.00 . A A . 5 ASP H 1 1 7 1396 1 1 5 ASP HA H -6.607 -0.446 0.036 1.00 . A A . 5 ASP HA 1 1 7 1397 1 1 5 ASP HB2 H -6.634 0.362 -2.247 1.00 . A A . 5 ASP HB2 1 1 7 1398 1 1 5 ASP HB3 H -4.932 -0.019 -2.448 1.00 . A A . 5 ASP HB3 1 1 7 1399 1 1 5 ASP N N -5.155 1.032 -0.078 1.00 . A A . 5 ASP N 1 1 7 1400 1 1 5 ASP O O -3.558 -1.323 -0.565 1.00 . A A . 5 ASP O 1 1 7 1401 1 1 5 ASP OD1 O -7.433 -2.000 -2.514 1.00 . A A . 5 ASP OD1 1 1 7 1402 1 1 5 ASP OD2 O -5.334 -2.457 -2.884 1.00 . A A . 5 ASP OD2 1 1 7 1403 1 1 6 PRO C C -3.334 -4.062 0.374 1.00 . A A . 6 PRO C 1 1 7 1404 1 1 6 PRO CA C -4.035 -3.184 1.465 1.00 . A A . 6 PRO CA 1 1 7 1405 1 1 6 PRO CB C -4.860 -4.006 2.460 1.00 . A A . 6 PRO CB 1 1 7 1406 1 1 6 PRO CD C -6.257 -2.209 1.678 1.00 . A A . 6 PRO CD 1 1 7 1407 1 1 6 PRO CG C -5.962 -3.086 2.872 1.00 . A A . 6 PRO CG 1 1 7 1408 1 1 6 PRO HA H -3.240 -2.678 1.992 1.00 . A A . 6 PRO HA 1 1 7 1409 1 1 6 PRO HB2 H -5.231 -4.906 1.993 1.00 . A A . 6 PRO HB2 1 1 7 1410 1 1 6 PRO HB3 H -4.243 -4.273 3.305 1.00 . A A . 6 PRO HB3 1 1 7 1411 1 1 6 PRO HD2 H -7.029 -2.649 1.064 1.00 . A A . 6 PRO HD2 1 1 7 1412 1 1 6 PRO HD3 H -6.546 -1.222 2.007 1.00 . A A . 6 PRO HD3 1 1 7 1413 1 1 6 PRO HG2 H -6.838 -3.656 3.144 1.00 . A A . 6 PRO HG2 1 1 7 1414 1 1 6 PRO HG3 H -5.639 -2.481 3.707 1.00 . A A . 6 PRO HG3 1 1 7 1415 1 1 6 PRO N N -4.970 -2.166 0.956 1.00 . A A . 6 PRO N 1 1 7 1416 1 1 6 PRO O O -2.108 -4.152 0.400 1.00 . A A . 6 PRO O 1 1 7 1417 1 1 7 PRO C C -2.379 -4.665 -2.464 1.00 . A A . 7 PRO C 1 1 7 1418 1 1 7 PRO CA C -3.401 -5.497 -1.669 1.00 . A A . 7 PRO CA 1 1 7 1419 1 1 7 PRO CB C -4.558 -5.927 -2.569 1.00 . A A . 7 PRO CB 1 1 7 1420 1 1 7 PRO CD C -5.534 -4.753 -0.759 1.00 . A A . 7 PRO CD 1 1 7 1421 1 1 7 PRO CG C -5.739 -5.915 -1.678 1.00 . A A . 7 PRO CG 1 1 7 1422 1 1 7 PRO HA H -2.907 -6.363 -1.255 1.00 . A A . 7 PRO HA 1 1 7 1423 1 1 7 PRO HB2 H -4.663 -5.225 -3.382 1.00 . A A . 7 PRO HB2 1 1 7 1424 1 1 7 PRO HB3 H -4.367 -6.916 -2.958 1.00 . A A . 7 PRO HB3 1 1 7 1425 1 1 7 PRO HD2 H -5.905 -3.846 -1.214 1.00 . A A . 7 PRO HD2 1 1 7 1426 1 1 7 PRO HD3 H -6.019 -4.928 0.189 1.00 . A A . 7 PRO HD3 1 1 7 1427 1 1 7 PRO HG2 H -6.641 -5.793 -2.259 1.00 . A A . 7 PRO HG2 1 1 7 1428 1 1 7 PRO HG3 H -5.778 -6.834 -1.113 1.00 . A A . 7 PRO HG3 1 1 7 1429 1 1 7 PRO N N -4.060 -4.705 -0.608 1.00 . A A . 7 PRO N 1 1 7 1430 1 1 7 PRO O O -1.304 -5.160 -2.848 1.00 . A A . 7 PRO O 1 1 7 1431 1 1 8 CYS C C -0.636 -2.174 -2.414 1.00 . A A . 8 CYS C 1 1 7 1432 1 1 8 CYS CA C -1.774 -2.529 -3.368 1.00 . A A . 8 CYS CA 1 1 7 1433 1 1 8 CYS CB C -2.465 -1.257 -3.871 1.00 . A A . 8 CYS CB 1 1 7 1434 1 1 8 CYS H H -3.605 -3.090 -2.475 1.00 . A A . 8 CYS H 1 1 7 1435 1 1 8 CYS HA H -1.357 -3.061 -4.210 1.00 . A A . 8 CYS HA 1 1 7 1436 1 1 8 CYS HB2 H -3.220 -1.523 -4.596 1.00 . A A . 8 CYS HB2 1 1 7 1437 1 1 8 CYS HB3 H -2.933 -0.759 -3.036 1.00 . A A . 8 CYS HB3 1 1 7 1438 1 1 8 CYS N N -2.703 -3.416 -2.716 1.00 . A A . 8 CYS N 1 1 7 1439 1 1 8 CYS O O 0.526 -2.425 -2.710 1.00 . A A . 8 CYS O 1 1 7 1440 1 1 8 CYS SG S -1.323 -0.063 -4.663 1.00 . A A . 8 CYS SG 1 1 7 1441 1 1 9 ARG C C 0.973 -2.184 0.147 1.00 . A A . 9 ARG C 1 1 7 1442 1 1 9 ARG CA C -0.109 -1.191 -0.194 1.00 . A A . 9 ARG CA 1 1 7 1443 1 1 9 ARG CB C -0.929 -1.021 1.043 1.00 . A A . 9 ARG CB 1 1 7 1444 1 1 9 ARG CD C -1.010 -0.463 3.443 1.00 . A A . 9 ARG CD 1 1 7 1445 1 1 9 ARG CG C -0.214 -0.360 2.174 1.00 . A A . 9 ARG CG 1 1 7 1446 1 1 9 ARG CZ C -2.095 -2.241 4.787 1.00 . A A . 9 ARG CZ 1 1 7 1447 1 1 9 ARG H H -1.973 -1.647 -1.054 1.00 . A A . 9 ARG H 1 1 7 1448 1 1 9 ARG HA H 0.319 -0.233 -0.453 1.00 . A A . 9 ARG HA 1 1 7 1449 1 1 9 ARG HB2 H -1.840 -0.509 0.791 1.00 . A A . 9 ARG HB2 1 1 7 1450 1 1 9 ARG HB3 H -1.209 -2.013 1.365 1.00 . A A . 9 ARG HB3 1 1 7 1451 1 1 9 ARG HD2 H -0.436 -0.009 4.237 1.00 . A A . 9 ARG HD2 1 1 7 1452 1 1 9 ARG HD3 H -1.945 0.063 3.318 1.00 . A A . 9 ARG HD3 1 1 7 1453 1 1 9 ARG HE H -0.842 -2.548 3.252 1.00 . A A . 9 ARG HE 1 1 7 1454 1 1 9 ARG HG2 H 0.756 -0.817 2.295 1.00 . A A . 9 ARG HG2 1 1 7 1455 1 1 9 ARG HG3 H -0.102 0.680 1.905 1.00 . A A . 9 ARG HG3 1 1 7 1456 1 1 9 ARG HH11 H -2.461 -0.351 5.475 1.00 . A A . 9 ARG HH11 1 1 7 1457 1 1 9 ARG HH12 H -3.259 -1.585 6.336 1.00 . A A . 9 ARG HH12 1 1 7 1458 1 1 9 ARG HH21 H -1.890 -4.233 4.413 1.00 . A A . 9 ARG HH21 1 1 7 1459 1 1 9 ARG HH22 H -2.927 -3.854 5.724 1.00 . A A . 9 ARG HH22 1 1 7 1460 1 1 9 ARG N N -1.006 -1.686 -1.249 1.00 . A A . 9 ARG N 1 1 7 1461 1 1 9 ARG NE N -1.289 -1.865 3.806 1.00 . A A . 9 ARG NE 1 1 7 1462 1 1 9 ARG NH1 N -2.641 -1.334 5.585 1.00 . A A . 9 ARG NH1 1 1 7 1463 1 1 9 ARG NH2 N -2.321 -3.531 4.989 1.00 . A A . 9 ARG NH2 1 1 7 1464 1 1 9 ARG O O 2.133 -1.828 0.345 1.00 . A A . 9 ARG O 1 1 7 1465 1 1 10 ASN C C 2.576 -4.767 -0.416 1.00 . A A . 10 ASN C 1 1 7 1466 1 1 10 ASN CA C 1.494 -4.489 0.628 1.00 . A A . 10 ASN CA 1 1 7 1467 1 1 10 ASN CB C 0.763 -5.770 1.042 1.00 . A A . 10 ASN CB 1 1 7 1468 1 1 10 ASN CG C 0.060 -5.663 2.404 1.00 . A A . 10 ASN CG 1 1 7 1469 1 1 10 ASN H H -0.384 -3.573 0.132 1.00 . A A . 10 ASN H 1 1 7 1470 1 1 10 ASN HA H 2.020 -4.117 1.495 1.00 . A A . 10 ASN HA 1 1 7 1471 1 1 10 ASN HB2 H 0.015 -5.999 0.297 1.00 . A A . 10 ASN HB2 1 1 7 1472 1 1 10 ASN HB3 H 1.476 -6.579 1.085 1.00 . A A . 10 ASN HB3 1 1 7 1473 1 1 10 ASN HD21 H 0.499 -7.539 2.757 1.00 . A A . 10 ASN HD21 1 1 7 1474 1 1 10 ASN HD22 H -0.390 -6.742 4.002 1.00 . A A . 10 ASN HD22 1 1 7 1475 1 1 10 ASN N N 0.581 -3.410 0.261 1.00 . A A . 10 ASN N 1 1 7 1476 1 1 10 ASN ND2 N 0.053 -6.747 3.128 1.00 . A A . 10 ASN ND2 1 1 7 1477 1 1 10 ASN O O 3.504 -5.522 -0.162 1.00 . A A . 10 ASN O 1 1 7 1478 1 1 10 ASN OD1 O -0.436 -4.591 2.817 1.00 . A A . 10 ASN OD1 1 1 7 1479 1 1 11 LYS C C 4.323 -2.989 -2.579 1.00 . A A . 11 LYS C 1 1 7 1480 1 1 11 LYS CA C 3.472 -4.246 -2.599 1.00 . A A . 11 LYS CA 1 1 7 1481 1 1 11 LYS CB C 2.837 -4.362 -3.967 1.00 . A A . 11 LYS CB 1 1 7 1482 1 1 11 LYS CD C 1.766 -5.818 -5.717 1.00 . A A . 11 LYS CD 1 1 7 1483 1 1 11 LYS CE C 0.907 -4.676 -6.245 1.00 . A A . 11 LYS CE 1 1 7 1484 1 1 11 LYS CG C 2.101 -5.663 -4.234 1.00 . A A . 11 LYS CG 1 1 7 1485 1 1 11 LYS H H 1.667 -3.630 -1.824 1.00 . A A . 11 LYS H 1 1 7 1486 1 1 11 LYS HA H 4.080 -5.119 -2.419 1.00 . A A . 11 LYS HA 1 1 7 1487 1 1 11 LYS HB2 H 2.126 -3.550 -4.043 1.00 . A A . 11 LYS HB2 1 1 7 1488 1 1 11 LYS HB3 H 3.583 -4.185 -4.716 1.00 . A A . 11 LYS HB3 1 1 7 1489 1 1 11 LYS HD2 H 2.691 -5.840 -6.275 1.00 . A A . 11 LYS HD2 1 1 7 1490 1 1 11 LYS HD3 H 1.244 -6.752 -5.861 1.00 . A A . 11 LYS HD3 1 1 7 1491 1 1 11 LYS HE2 H 1.418 -3.740 -6.073 1.00 . A A . 11 LYS HE2 1 1 7 1492 1 1 11 LYS HE3 H 0.768 -4.812 -7.308 1.00 . A A . 11 LYS HE3 1 1 7 1493 1 1 11 LYS HG2 H 2.724 -6.488 -3.924 1.00 . A A . 11 LYS HG2 1 1 7 1494 1 1 11 LYS HG3 H 1.184 -5.667 -3.664 1.00 . A A . 11 LYS HG3 1 1 7 1495 1 1 11 LYS HZ1 H -0.361 -4.549 -4.558 1.00 . A A . 11 LYS HZ1 1 1 7 1496 1 1 11 LYS HZ2 H -0.970 -5.478 -5.802 1.00 . A A . 11 LYS HZ2 1 1 7 1497 1 1 11 LYS HZ3 H -0.965 -3.817 -5.959 1.00 . A A . 11 LYS HZ3 1 1 7 1498 1 1 11 LYS N N 2.457 -4.162 -1.587 1.00 . A A . 11 LYS N 1 1 7 1499 1 1 11 LYS NZ N -0.416 -4.622 -5.594 1.00 . A A . 11 LYS NZ 1 1 7 1500 1 1 11 LYS O O 5.256 -2.835 -3.368 1.00 . A A . 11 LYS O 1 1 7 1501 1 1 12 HIS C C 4.962 -0.383 -0.161 1.00 . A A . 12 HIS C 1 1 7 1502 1 1 12 HIS CA C 4.625 -0.783 -1.617 1.00 . A A . 12 HIS CA 1 1 7 1503 1 1 12 HIS CB C 3.665 0.261 -2.230 1.00 . A A . 12 HIS CB 1 1 7 1504 1 1 12 HIS CD2 C 2.232 -0.588 -4.190 1.00 . A A . 12 HIS CD2 1 1 7 1505 1 1 12 HIS CE1 C 3.518 -0.106 -5.846 1.00 . A A . 12 HIS CE1 1 1 7 1506 1 1 12 HIS CG C 3.318 0.005 -3.668 1.00 . A A . 12 HIS CG 1 1 7 1507 1 1 12 HIS H H 3.295 -2.294 -1.016 1.00 . A A . 12 HIS H 1 1 7 1508 1 1 12 HIS HA H 5.526 -0.803 -2.211 1.00 . A A . 12 HIS HA 1 1 7 1509 1 1 12 HIS HB2 H 2.740 0.210 -1.674 1.00 . A A . 12 HIS HB2 1 1 7 1510 1 1 12 HIS HB3 H 4.056 1.261 -2.132 1.00 . A A . 12 HIS HB3 1 1 7 1511 1 1 12 HIS HD1 H 5.011 0.740 -4.697 1.00 . A A . 12 HIS HD1 1 1 7 1512 1 1 12 HIS HD2 H 1.416 -0.993 -3.610 1.00 . A A . 12 HIS HD2 1 1 7 1513 1 1 12 HIS HE1 H 3.927 -0.029 -6.843 1.00 . A A . 12 HIS HE1 1 1 7 1514 1 1 12 HIS N N 3.989 -2.086 -1.681 1.00 . A A . 12 HIS N 1 1 7 1515 1 1 12 HIS ND1 N 4.128 0.310 -4.732 1.00 . A A . 12 HIS ND1 1 1 7 1516 1 1 12 HIS NE2 N 2.354 -0.657 -5.567 1.00 . A A . 12 HIS NE2 1 1 7 1517 1 1 12 HIS O O 4.712 0.763 0.240 1.00 . A A . 12 HIS O 1 1 7 1518 1 1 13 PRO C C 7.099 0.017 2.203 1.00 . A A . 13 PRO C 1 1 7 1519 1 1 13 PRO CA C 5.944 -0.978 2.054 1.00 . A A . 13 PRO CA 1 1 7 1520 1 1 13 PRO CB C 6.338 -2.358 2.626 1.00 . A A . 13 PRO CB 1 1 7 1521 1 1 13 PRO CD C 6.266 -2.530 0.237 1.00 . A A . 13 PRO CD 1 1 7 1522 1 1 13 PRO CG C 6.174 -3.328 1.495 1.00 . A A . 13 PRO CG 1 1 7 1523 1 1 13 PRO HA H 5.074 -0.593 2.567 1.00 . A A . 13 PRO HA 1 1 7 1524 1 1 13 PRO HB2 H 7.359 -2.327 2.974 1.00 . A A . 13 PRO HB2 1 1 7 1525 1 1 13 PRO HB3 H 5.682 -2.608 3.448 1.00 . A A . 13 PRO HB3 1 1 7 1526 1 1 13 PRO HD2 H 7.297 -2.395 -0.054 1.00 . A A . 13 PRO HD2 1 1 7 1527 1 1 13 PRO HD3 H 5.700 -2.995 -0.558 1.00 . A A . 13 PRO HD3 1 1 7 1528 1 1 13 PRO HG2 H 6.963 -4.064 1.525 1.00 . A A . 13 PRO HG2 1 1 7 1529 1 1 13 PRO HG3 H 5.206 -3.802 1.564 1.00 . A A . 13 PRO HG3 1 1 7 1530 1 1 13 PRO N N 5.654 -1.255 0.635 1.00 . A A . 13 PRO N 1 1 7 1531 1 1 13 PRO O O 7.650 0.219 3.287 1.00 . A A . 13 PRO O 1 1 7 1532 1 1 14 ASP C C 7.929 2.932 1.504 1.00 . A A . 14 ASP C 1 1 7 1533 1 1 14 ASP CA C 8.489 1.615 1.021 1.00 . A A . 14 ASP CA 1 1 7 1534 1 1 14 ASP CB C 8.948 1.773 -0.424 1.00 . A A . 14 ASP CB 1 1 7 1535 1 1 14 ASP CG C 10.081 2.755 -0.572 1.00 . A A . 14 ASP CG 1 1 7 1536 1 1 14 ASP H H 6.995 0.319 0.280 1.00 . A A . 14 ASP H 1 1 7 1537 1 1 14 ASP HA H 9.329 1.320 1.629 1.00 . A A . 14 ASP HA 1 1 7 1538 1 1 14 ASP HB2 H 9.277 0.813 -0.793 1.00 . A A . 14 ASP HB2 1 1 7 1539 1 1 14 ASP HB3 H 8.115 2.116 -1.021 1.00 . A A . 14 ASP HB3 1 1 7 1540 1 1 14 ASP N N 7.461 0.608 1.092 1.00 . A A . 14 ASP N 1 1 7 1541 1 1 14 ASP O O 8.522 3.612 2.332 1.00 . A A . 14 ASP O 1 1 7 1542 1 1 14 ASP OD1 O 9.840 3.962 -0.724 1.00 . A A . 14 ASP OD1 1 1 7 1543 1 1 14 ASP OD2 O 11.256 2.321 -0.537 1.00 . A A . 14 ASP OD2 1 1 7 1544 1 1 15 LEU C C 4.879 4.273 2.141 1.00 . A A . 15 LEU C 1 1 7 1545 1 1 15 LEU CA C 6.136 4.504 1.327 1.00 . A A . 15 LEU CA 1 1 7 1546 1 1 15 LEU CB C 5.835 5.384 0.078 1.00 . A A . 15 LEU CB 1 1 7 1547 1 1 15 LEU CD1 C 4.465 5.990 -1.936 1.00 . A A . 15 LEU CD1 1 1 7 1548 1 1 15 LEU CD2 C 5.296 3.674 -1.750 1.00 . A A . 15 LEU CD2 1 1 7 1549 1 1 15 LEU CG C 4.794 4.880 -0.962 1.00 . A A . 15 LEU CG 1 1 7 1550 1 1 15 LEU H H 6.323 2.634 0.408 1.00 . A A . 15 LEU H 1 1 7 1551 1 1 15 LEU HA H 6.859 5.012 1.939 1.00 . A A . 15 LEU HA 1 1 7 1552 1 1 15 LEU HB2 H 5.495 6.345 0.432 1.00 . A A . 15 LEU HB2 1 1 7 1553 1 1 15 LEU HB3 H 6.772 5.538 -0.438 1.00 . A A . 15 LEU HB3 1 1 7 1554 1 1 15 LEU HD11 H 4.034 6.826 -1.404 1.00 . A A . 15 LEU HD11 1 1 7 1555 1 1 15 LEU HD12 H 3.760 5.618 -2.664 1.00 . A A . 15 LEU HD12 1 1 7 1556 1 1 15 LEU HD13 H 5.367 6.306 -2.439 1.00 . A A . 15 LEU HD13 1 1 7 1557 1 1 15 LEU HD21 H 5.404 2.818 -1.102 1.00 . A A . 15 LEU HD21 1 1 7 1558 1 1 15 LEU HD22 H 6.252 3.908 -2.194 1.00 . A A . 15 LEU HD22 1 1 7 1559 1 1 15 LEU HD23 H 4.587 3.445 -2.531 1.00 . A A . 15 LEU HD23 1 1 7 1560 1 1 15 LEU HG H 3.885 4.607 -0.448 1.00 . A A . 15 LEU HG 1 1 7 1561 1 1 15 LEU N N 6.770 3.262 1.002 1.00 . A A . 15 LEU N 1 1 7 1562 1 1 15 LEU O O 4.371 5.182 2.806 1.00 . A A . 15 LEU O 1 1 7 1563 1 1 16 CYS C C 3.594 1.933 4.052 1.00 . A A . 16 CYS C 1 1 7 1564 1 1 16 CYS CA C 3.215 2.717 2.803 1.00 . A A . 16 CYS CA 1 1 7 1565 1 1 16 CYS CB C 2.323 1.902 1.911 1.00 . A A . 16 CYS CB 1 1 7 1566 1 1 16 CYS H H 4.725 2.360 1.514 1.00 . A A . 16 CYS H 1 1 7 1567 1 1 16 CYS HA H 2.692 3.618 3.077 1.00 . A A . 16 CYS HA 1 1 7 1568 1 1 16 CYS HB2 H 2.848 1.004 1.617 1.00 . A A . 16 CYS HB2 1 1 7 1569 1 1 16 CYS HB3 H 1.461 1.639 2.492 1.00 . A A . 16 CYS HB3 1 1 7 1570 1 1 16 CYS N N 4.370 3.075 2.080 1.00 . A A . 16 CYS N 1 1 7 1571 1 1 16 CYS O O 3.908 0.740 3.986 1.00 . A A . 16 CYS O 1 1 7 1572 1 1 16 CYS SG S 1.777 2.762 0.394 1.00 . A A . 16 CYS SG 1 1 7 1573 1 1 17 NH2 HN1 H 3.347 3.539 5.162 1.00 . A A . 17 NH2 HN1 1 1 7 1574 1 1 17 NH2 HN2 H 3.865 2.125 5.996 1.00 . A A . 17 NH2 HN2 1 1 7 1575 1 1 17 NH2 N N 3.605 2.593 5.176 1.00 . A A . 17 NH2 N 1 1 8 1576 1 1 1 GLY C C -4.886 3.672 -3.032 1.00 . A A . 1 GLY C 1 1 8 1577 1 1 1 GLY CA C -5.696 4.859 -3.443 1.00 . A A . 1 GLY CA 1 1 8 1578 1 1 1 GLY H1 H -6.882 3.794 -4.730 1.00 . A A . 1 GLY H1 1 1 8 1579 1 1 1 GLY H2 H -7.554 5.261 -4.280 1.00 . A A . 1 GLY H2 1 1 8 1580 1 1 1 GLY H3 H -7.549 3.949 -3.196 1.00 . A A . 1 GLY H3 1 1 8 1581 1 1 1 GLY HA2 H -5.176 5.375 -4.235 1.00 . A A . 1 GLY HA2 1 1 8 1582 1 1 1 GLY HA3 H -5.822 5.522 -2.601 1.00 . A A . 1 GLY HA3 1 1 8 1583 1 1 1 GLY N N -7.010 4.447 -3.932 1.00 . A A . 1 GLY N 1 1 8 1584 1 1 1 GLY O O -5.388 2.816 -2.336 1.00 . A A . 1 GLY O 1 1 8 1585 1 1 2 CYS C C -2.534 2.268 -1.715 1.00 . A A . 2 CYS C 1 1 8 1586 1 1 2 CYS CA C -2.747 2.487 -3.193 1.00 . A A . 2 CYS CA 1 1 8 1587 1 1 2 CYS CB C -1.400 2.705 -3.842 1.00 . A A . 2 CYS CB 1 1 8 1588 1 1 2 CYS H H -3.272 4.413 -3.921 1.00 . A A . 2 CYS H 1 1 8 1589 1 1 2 CYS HA H -3.202 1.610 -3.628 1.00 . A A . 2 CYS HA 1 1 8 1590 1 1 2 CYS HB2 H -1.537 3.090 -4.834 1.00 . A A . 2 CYS HB2 1 1 8 1591 1 1 2 CYS HB3 H -0.894 3.469 -3.275 1.00 . A A . 2 CYS HB3 1 1 8 1592 1 1 2 CYS N N -3.624 3.634 -3.438 1.00 . A A . 2 CYS N 1 1 8 1593 1 1 2 CYS O O -2.712 1.179 -1.201 1.00 . A A . 2 CYS O 1 1 8 1594 1 1 2 CYS SG S -0.322 1.233 -3.831 1.00 . A A . 2 CYS SG 1 1 8 1595 1 1 3 CYS C C -3.225 2.986 1.198 1.00 . A A . 3 CYS C 1 1 8 1596 1 1 3 CYS CA C -1.920 3.214 0.404 1.00 . A A . 3 CYS CA 1 1 8 1597 1 1 3 CYS CB C -1.148 4.431 0.933 1.00 . A A . 3 CYS CB 1 1 8 1598 1 1 3 CYS H H -2.076 4.152 -1.534 1.00 . A A . 3 CYS H 1 1 8 1599 1 1 3 CYS HA H -1.313 2.330 0.536 1.00 . A A . 3 CYS HA 1 1 8 1600 1 1 3 CYS HB2 H -0.282 4.604 0.312 1.00 . A A . 3 CYS HB2 1 1 8 1601 1 1 3 CYS HB3 H -1.792 5.297 0.897 1.00 . A A . 3 CYS HB3 1 1 8 1602 1 1 3 CYS N N -2.179 3.312 -1.030 1.00 . A A . 3 CYS N 1 1 8 1603 1 1 3 CYS O O -3.202 2.580 2.362 1.00 . A A . 3 CYS O 1 1 8 1604 1 1 3 CYS SG S -0.571 4.237 2.658 1.00 . A A . 3 CYS SG 1 1 8 1605 1 1 4 SER C C -6.185 1.635 0.666 1.00 . A A . 4 SER C 1 1 8 1606 1 1 4 SER CA C -5.628 2.973 1.176 1.00 . A A . 4 SER CA 1 1 8 1607 1 1 4 SER CB C -6.598 4.130 0.867 1.00 . A A . 4 SER CB 1 1 8 1608 1 1 4 SER H H -4.323 3.600 -0.340 1.00 . A A . 4 SER H 1 1 8 1609 1 1 4 SER HA H -5.475 2.912 2.242 1.00 . A A . 4 SER HA 1 1 8 1610 1 1 4 SER HB2 H -6.167 5.055 1.219 1.00 . A A . 4 SER HB2 1 1 8 1611 1 1 4 SER HB3 H -6.753 4.189 -0.200 1.00 . A A . 4 SER HB3 1 1 8 1612 1 1 4 SER HG H -7.944 2.997 1.661 1.00 . A A . 4 SER HG 1 1 8 1613 1 1 4 SER N N -4.346 3.224 0.567 1.00 . A A . 4 SER N 1 1 8 1614 1 1 4 SER O O -7.335 1.266 0.948 1.00 . A A . 4 SER O 1 1 8 1615 1 1 4 SER OG O -7.862 3.948 1.506 1.00 . A A . 4 SER OG 1 1 8 1616 1 1 5 ASP C C -4.727 -1.395 -0.299 1.00 . A A . 5 ASP C 1 1 8 1617 1 1 5 ASP CA C -5.771 -0.360 -0.616 1.00 . A A . 5 ASP CA 1 1 8 1618 1 1 5 ASP CB C -6.006 -0.270 -2.125 1.00 . A A . 5 ASP CB 1 1 8 1619 1 1 5 ASP CG C -6.555 -1.544 -2.699 1.00 . A A . 5 ASP CG 1 1 8 1620 1 1 5 ASP H H -4.464 1.224 -0.280 1.00 . A A . 5 ASP H 1 1 8 1621 1 1 5 ASP HA H -6.691 -0.646 -0.132 1.00 . A A . 5 ASP HA 1 1 8 1622 1 1 5 ASP HB2 H -6.706 0.527 -2.326 1.00 . A A . 5 ASP HB2 1 1 8 1623 1 1 5 ASP HB3 H -5.068 -0.047 -2.612 1.00 . A A . 5 ASP HB3 1 1 8 1624 1 1 5 ASP N N -5.371 0.911 -0.074 1.00 . A A . 5 ASP N 1 1 8 1625 1 1 5 ASP O O -3.664 -1.422 -0.923 1.00 . A A . 5 ASP O 1 1 8 1626 1 1 5 ASP OD1 O -7.557 -2.047 -2.157 1.00 . A A . 5 ASP OD1 1 1 8 1627 1 1 5 ASP OD2 O -5.989 -2.067 -3.708 1.00 . A A . 5 ASP OD2 1 1 8 1628 1 1 6 PRO C C -3.341 -4.068 0.070 1.00 . A A . 6 PRO C 1 1 8 1629 1 1 6 PRO CA C -4.063 -3.267 1.183 1.00 . A A . 6 PRO CA 1 1 8 1630 1 1 6 PRO CB C -4.906 -4.161 2.090 1.00 . A A . 6 PRO CB 1 1 8 1631 1 1 6 PRO CD C -6.257 -2.268 1.489 1.00 . A A . 6 PRO CD 1 1 8 1632 1 1 6 PRO CG C -5.982 -3.263 2.587 1.00 . A A . 6 PRO CG 1 1 8 1633 1 1 6 PRO HA H -3.293 -2.794 1.777 1.00 . A A . 6 PRO HA 1 1 8 1634 1 1 6 PRO HB2 H -5.296 -5.000 1.535 1.00 . A A . 6 PRO HB2 1 1 8 1635 1 1 6 PRO HB3 H -4.296 -4.521 2.903 1.00 . A A . 6 PRO HB3 1 1 8 1636 1 1 6 PRO HD2 H -7.078 -2.606 0.874 1.00 . A A . 6 PRO HD2 1 1 8 1637 1 1 6 PRO HD3 H -6.471 -1.297 1.909 1.00 . A A . 6 PRO HD3 1 1 8 1638 1 1 6 PRO HG2 H -6.871 -3.842 2.793 1.00 . A A . 6 PRO HG2 1 1 8 1639 1 1 6 PRO HG3 H -5.652 -2.754 3.480 1.00 . A A . 6 PRO HG3 1 1 8 1640 1 1 6 PRO N N -4.996 -2.242 0.713 1.00 . A A . 6 PRO N 1 1 8 1641 1 1 6 PRO O O -2.116 -4.117 0.097 1.00 . A A . 6 PRO O 1 1 8 1642 1 1 7 PRO C C -2.423 -4.590 -2.888 1.00 . A A . 7 PRO C 1 1 8 1643 1 1 7 PRO CA C -3.389 -5.430 -2.038 1.00 . A A . 7 PRO CA 1 1 8 1644 1 1 7 PRO CB C -4.547 -5.935 -2.905 1.00 . A A . 7 PRO CB 1 1 8 1645 1 1 7 PRO CD C -5.522 -4.639 -1.185 1.00 . A A . 7 PRO CD 1 1 8 1646 1 1 7 PRO CG C -5.741 -5.850 -2.031 1.00 . A A . 7 PRO CG 1 1 8 1647 1 1 7 PRO HA H -2.851 -6.271 -1.627 1.00 . A A . 7 PRO HA 1 1 8 1648 1 1 7 PRO HB2 H -4.643 -5.293 -3.768 1.00 . A A . 7 PRO HB2 1 1 8 1649 1 1 7 PRO HB3 H -4.356 -6.949 -3.222 1.00 . A A . 7 PRO HB3 1 1 8 1650 1 1 7 PRO HD2 H -5.828 -3.752 -1.721 1.00 . A A . 7 PRO HD2 1 1 8 1651 1 1 7 PRO HD3 H -6.057 -4.720 -0.252 1.00 . A A . 7 PRO HD3 1 1 8 1652 1 1 7 PRO HG2 H -6.633 -5.741 -2.629 1.00 . A A . 7 PRO HG2 1 1 8 1653 1 1 7 PRO HG3 H -5.807 -6.732 -1.411 1.00 . A A . 7 PRO HG3 1 1 8 1654 1 1 7 PRO N N -4.054 -4.653 -0.971 1.00 . A A . 7 PRO N 1 1 8 1655 1 1 7 PRO O O -1.641 -5.128 -3.667 1.00 . A A . 7 PRO O 1 1 8 1656 1 1 8 CYS C C -0.473 -2.047 -2.494 1.00 . A A . 8 CYS C 1 1 8 1657 1 1 8 CYS CA C -1.578 -2.421 -3.460 1.00 . A A . 8 CYS CA 1 1 8 1658 1 1 8 CYS CB C -2.281 -1.148 -3.975 1.00 . A A . 8 CYS CB 1 1 8 1659 1 1 8 CYS H H -3.205 -2.907 -2.200 1.00 . A A . 8 CYS H 1 1 8 1660 1 1 8 CYS HA H -1.150 -2.964 -4.290 1.00 . A A . 8 CYS HA 1 1 8 1661 1 1 8 CYS HB2 H -3.168 -1.419 -4.526 1.00 . A A . 8 CYS HB2 1 1 8 1662 1 1 8 CYS HB3 H -2.571 -0.551 -3.122 1.00 . A A . 8 CYS HB3 1 1 8 1663 1 1 8 CYS N N -2.503 -3.288 -2.770 1.00 . A A . 8 CYS N 1 1 8 1664 1 1 8 CYS O O 0.708 -2.197 -2.786 1.00 . A A . 8 CYS O 1 1 8 1665 1 1 8 CYS SG S -1.254 -0.086 -5.069 1.00 . A A . 8 CYS SG 1 1 8 1666 1 1 9 ARG C C 1.021 -2.171 0.144 1.00 . A A . 9 ARG C 1 1 8 1667 1 1 9 ARG CA C 0.004 -1.145 -0.273 1.00 . A A . 9 ARG CA 1 1 8 1668 1 1 9 ARG CB C -0.814 -0.785 0.917 1.00 . A A . 9 ARG CB 1 1 8 1669 1 1 9 ARG CD C -1.005 0.516 3.040 1.00 . A A . 9 ARG CD 1 1 8 1670 1 1 9 ARG CG C -0.081 0.069 1.929 1.00 . A A . 9 ARG CG 1 1 8 1671 1 1 9 ARG CZ C -2.853 -0.589 4.278 1.00 . A A . 9 ARG CZ 1 1 8 1672 1 1 9 ARG H H -1.846 -1.668 -1.121 1.00 . A A . 9 ARG H 1 1 8 1673 1 1 9 ARG HA H 0.516 -0.256 -0.616 1.00 . A A . 9 ARG HA 1 1 8 1674 1 1 9 ARG HB2 H -1.740 -0.363 0.574 1.00 . A A . 9 ARG HB2 1 1 8 1675 1 1 9 ARG HB3 H -1.071 -1.717 1.400 1.00 . A A . 9 ARG HB3 1 1 8 1676 1 1 9 ARG HD2 H -0.441 1.108 3.745 1.00 . A A . 9 ARG HD2 1 1 8 1677 1 1 9 ARG HD3 H -1.783 1.128 2.608 1.00 . A A . 9 ARG HD3 1 1 8 1678 1 1 9 ARG HE H -1.033 -1.387 3.867 1.00 . A A . 9 ARG HE 1 1 8 1679 1 1 9 ARG HG2 H 0.732 -0.508 2.342 1.00 . A A . 9 ARG HG2 1 1 8 1680 1 1 9 ARG HG3 H 0.316 0.933 1.418 1.00 . A A . 9 ARG HG3 1 1 8 1681 1 1 9 ARG HH11 H -3.431 1.215 3.462 1.00 . A A . 9 ARG HH11 1 1 8 1682 1 1 9 ARG HH12 H -4.611 0.478 4.418 1.00 . A A . 9 ARG HH12 1 1 8 1683 1 1 9 ARG HH21 H -2.684 -2.398 5.212 1.00 . A A . 9 ARG HH21 1 1 8 1684 1 1 9 ARG HH22 H -4.172 -1.614 5.438 1.00 . A A . 9 ARG HH22 1 1 8 1685 1 1 9 ARG N N -0.880 -1.643 -1.311 1.00 . A A . 9 ARG N 1 1 8 1686 1 1 9 ARG NE N -1.623 -0.605 3.750 1.00 . A A . 9 ARG NE 1 1 8 1687 1 1 9 ARG NH1 N -3.681 0.430 4.038 1.00 . A A . 9 ARG NH1 1 1 8 1688 1 1 9 ARG NH2 N -3.262 -1.601 5.019 1.00 . A A . 9 ARG NH2 1 1 8 1689 1 1 9 ARG O O 2.166 -1.837 0.390 1.00 . A A . 9 ARG O 1 1 8 1690 1 1 10 ASN C C 2.631 -4.746 -0.397 1.00 . A A . 10 ASN C 1 1 8 1691 1 1 10 ASN CA C 1.525 -4.475 0.645 1.00 . A A . 10 ASN CA 1 1 8 1692 1 1 10 ASN CB C 0.814 -5.788 1.074 1.00 . A A . 10 ASN CB 1 1 8 1693 1 1 10 ASN CG C 0.319 -6.669 -0.065 1.00 . A A . 10 ASN CG 1 1 8 1694 1 1 10 ASN H H -0.351 -3.547 0.045 1.00 . A A . 10 ASN H 1 1 8 1695 1 1 10 ASN HA H 2.032 -4.062 1.505 1.00 . A A . 10 ASN HA 1 1 8 1696 1 1 10 ASN HB2 H 1.502 -6.376 1.661 1.00 . A A . 10 ASN HB2 1 1 8 1697 1 1 10 ASN HB3 H -0.031 -5.529 1.697 1.00 . A A . 10 ASN HB3 1 1 8 1698 1 1 10 ASN HD21 H 2.019 -7.680 -0.063 1.00 . A A . 10 ASN HD21 1 1 8 1699 1 1 10 ASN HD22 H 0.824 -8.195 -1.199 1.00 . A A . 10 ASN HD22 1 1 8 1700 1 1 10 ASN N N 0.607 -3.404 0.225 1.00 . A A . 10 ASN N 1 1 8 1701 1 1 10 ASN ND2 N 1.136 -7.598 -0.487 1.00 . A A . 10 ASN ND2 1 1 8 1702 1 1 10 ASN O O 3.569 -5.483 -0.129 1.00 . A A . 10 ASN O 1 1 8 1703 1 1 10 ASN OD1 O -0.795 -6.535 -0.539 1.00 . A A . 10 ASN OD1 1 1 8 1704 1 1 11 LYS C C 4.445 -2.997 -2.459 1.00 . A A . 11 LYS C 1 1 8 1705 1 1 11 LYS CA C 3.562 -4.227 -2.572 1.00 . A A . 11 LYS CA 1 1 8 1706 1 1 11 LYS CB C 2.974 -4.275 -3.991 1.00 . A A . 11 LYS CB 1 1 8 1707 1 1 11 LYS CD C 1.323 -6.177 -3.656 1.00 . A A . 11 LYS CD 1 1 8 1708 1 1 11 LYS CE C 0.806 -7.493 -4.212 1.00 . A A . 11 LYS CE 1 1 8 1709 1 1 11 LYS CG C 2.467 -5.632 -4.482 1.00 . A A . 11 LYS CG 1 1 8 1710 1 1 11 LYS H H 1.721 -3.640 -1.827 1.00 . A A . 11 LYS H 1 1 8 1711 1 1 11 LYS HA H 4.148 -5.118 -2.400 1.00 . A A . 11 LYS HA 1 1 8 1712 1 1 11 LYS HB2 H 2.157 -3.569 -4.039 1.00 . A A . 11 LYS HB2 1 1 8 1713 1 1 11 LYS HB3 H 3.738 -3.917 -4.658 1.00 . A A . 11 LYS HB3 1 1 8 1714 1 1 11 LYS HD2 H 1.666 -6.336 -2.645 1.00 . A A . 11 LYS HD2 1 1 8 1715 1 1 11 LYS HD3 H 0.519 -5.455 -3.653 1.00 . A A . 11 LYS HD3 1 1 8 1716 1 1 11 LYS HE2 H -0.015 -7.832 -3.599 1.00 . A A . 11 LYS HE2 1 1 8 1717 1 1 11 LYS HE3 H 0.447 -7.321 -5.216 1.00 . A A . 11 LYS HE3 1 1 8 1718 1 1 11 LYS HG2 H 2.134 -5.534 -5.505 1.00 . A A . 11 LYS HG2 1 1 8 1719 1 1 11 LYS HG3 H 3.291 -6.329 -4.444 1.00 . A A . 11 LYS HG3 1 1 8 1720 1 1 11 LYS HZ1 H 2.618 -8.295 -4.898 1.00 . A A . 11 LYS HZ1 1 1 8 1721 1 1 11 LYS HZ2 H 1.452 -9.456 -4.549 1.00 . A A . 11 LYS HZ2 1 1 8 1722 1 1 11 LYS HZ3 H 2.266 -8.700 -3.311 1.00 . A A . 11 LYS HZ3 1 1 8 1723 1 1 11 LYS N N 2.519 -4.153 -1.575 1.00 . A A . 11 LYS N 1 1 8 1724 1 1 11 LYS NZ N 1.846 -8.541 -4.249 1.00 . A A . 11 LYS NZ 1 1 8 1725 1 1 11 LYS O O 5.515 -2.911 -3.078 1.00 . A A . 11 LYS O 1 1 8 1726 1 1 12 HIS C C 4.790 -0.332 -0.034 1.00 . A A . 12 HIS C 1 1 8 1727 1 1 12 HIS CA C 4.667 -0.771 -1.522 1.00 . A A . 12 HIS CA 1 1 8 1728 1 1 12 HIS CB C 3.839 0.275 -2.304 1.00 . A A . 12 HIS CB 1 1 8 1729 1 1 12 HIS CD2 C 2.556 -0.507 -4.386 1.00 . A A . 12 HIS CD2 1 1 8 1730 1 1 12 HIS CE1 C 4.111 -0.393 -5.874 1.00 . A A . 12 HIS CE1 1 1 8 1731 1 1 12 HIS CG C 3.645 -0.040 -3.761 1.00 . A A . 12 HIS CG 1 1 8 1732 1 1 12 HIS H H 3.228 -2.231 -1.076 1.00 . A A . 12 HIS H 1 1 8 1733 1 1 12 HIS HA H 5.647 -0.831 -1.965 1.00 . A A . 12 HIS HA 1 1 8 1734 1 1 12 HIS HB2 H 2.855 0.311 -1.861 1.00 . A A . 12 HIS HB2 1 1 8 1735 1 1 12 HIS HB3 H 4.277 1.253 -2.221 1.00 . A A . 12 HIS HB3 1 1 8 1736 1 1 12 HIS HD1 H 5.555 0.350 -4.616 1.00 . A A . 12 HIS HD1 1 1 8 1737 1 1 12 HIS HD2 H 1.604 -0.664 -3.899 1.00 . A A . 12 HIS HD2 1 1 8 1738 1 1 12 HIS HE1 H 4.655 -0.464 -6.805 1.00 . A A . 12 HIS HE1 1 1 8 1739 1 1 12 HIS N N 4.011 -2.058 -1.646 1.00 . A A . 12 HIS N 1 1 8 1740 1 1 12 HIS ND1 N 4.628 0.036 -4.723 1.00 . A A . 12 HIS ND1 1 1 8 1741 1 1 12 HIS NE2 N 2.846 -0.736 -5.725 1.00 . A A . 12 HIS NE2 1 1 8 1742 1 1 12 HIS O O 4.451 0.819 0.309 1.00 . A A . 12 HIS O 1 1 8 1743 1 1 13 PRO C C 6.447 0.206 2.610 1.00 . A A . 13 PRO C 1 1 8 1744 1 1 13 PRO CA C 5.403 -0.867 2.299 1.00 . A A . 13 PRO CA 1 1 8 1745 1 1 13 PRO CB C 5.775 -2.195 2.957 1.00 . A A . 13 PRO CB 1 1 8 1746 1 1 13 PRO CD C 5.947 -2.522 0.596 1.00 . A A . 13 PRO CD 1 1 8 1747 1 1 13 PRO CG C 6.522 -2.943 1.918 1.00 . A A . 13 PRO CG 1 1 8 1748 1 1 13 PRO HA H 4.443 -0.535 2.664 1.00 . A A . 13 PRO HA 1 1 8 1749 1 1 13 PRO HB2 H 6.387 -2.008 3.828 1.00 . A A . 13 PRO HB2 1 1 8 1750 1 1 13 PRO HB3 H 4.875 -2.717 3.245 1.00 . A A . 13 PRO HB3 1 1 8 1751 1 1 13 PRO HD2 H 6.725 -2.440 -0.149 1.00 . A A . 13 PRO HD2 1 1 8 1752 1 1 13 PRO HD3 H 5.192 -3.224 0.272 1.00 . A A . 13 PRO HD3 1 1 8 1753 1 1 13 PRO HG2 H 7.570 -2.690 1.972 1.00 . A A . 13 PRO HG2 1 1 8 1754 1 1 13 PRO HG3 H 6.384 -4.002 2.067 1.00 . A A . 13 PRO HG3 1 1 8 1755 1 1 13 PRO N N 5.338 -1.193 0.874 1.00 . A A . 13 PRO N 1 1 8 1756 1 1 13 PRO O O 6.330 0.933 3.589 1.00 . A A . 13 PRO O 1 1 8 1757 1 1 14 ASP C C 8.066 2.648 1.331 1.00 . A A . 14 ASP C 1 1 8 1758 1 1 14 ASP CA C 8.494 1.320 1.933 1.00 . A A . 14 ASP CA 1 1 8 1759 1 1 14 ASP CB C 9.816 0.828 1.329 1.00 . A A . 14 ASP CB 1 1 8 1760 1 1 14 ASP CG C 10.947 1.823 1.419 1.00 . A A . 14 ASP CG 1 1 8 1761 1 1 14 ASP H H 7.462 -0.260 0.962 1.00 . A A . 14 ASP H 1 1 8 1762 1 1 14 ASP HA H 8.617 1.459 2.997 1.00 . A A . 14 ASP HA 1 1 8 1763 1 1 14 ASP HB2 H 10.124 -0.064 1.853 1.00 . A A . 14 ASP HB2 1 1 8 1764 1 1 14 ASP HB3 H 9.663 0.584 0.291 1.00 . A A . 14 ASP HB3 1 1 8 1765 1 1 14 ASP N N 7.439 0.328 1.747 1.00 . A A . 14 ASP N 1 1 8 1766 1 1 14 ASP O O 8.621 3.701 1.632 1.00 . A A . 14 ASP O 1 1 8 1767 1 1 14 ASP OD1 O 11.593 1.905 2.488 1.00 . A A . 14 ASP OD1 1 1 8 1768 1 1 14 ASP OD2 O 11.224 2.517 0.411 1.00 . A A . 14 ASP OD2 1 1 8 1769 1 1 15 LEU C C 5.449 4.352 0.873 1.00 . A A . 15 LEU C 1 1 8 1770 1 1 15 LEU CA C 6.465 3.739 -0.077 1.00 . A A . 15 LEU CA 1 1 8 1771 1 1 15 LEU CB C 5.781 3.300 -1.363 1.00 . A A . 15 LEU CB 1 1 8 1772 1 1 15 LEU CD1 C 5.798 5.464 -2.635 1.00 . A A . 15 LEU CD1 1 1 8 1773 1 1 15 LEU CD2 C 4.078 3.726 -3.149 1.00 . A A . 15 LEU CD2 1 1 8 1774 1 1 15 LEU CG C 4.945 4.346 -2.074 1.00 . A A . 15 LEU CG 1 1 8 1775 1 1 15 LEU H H 6.555 1.757 0.369 1.00 . A A . 15 LEU H 1 1 8 1776 1 1 15 LEU HA H 7.267 4.419 -0.310 1.00 . A A . 15 LEU HA 1 1 8 1777 1 1 15 LEU HB2 H 6.529 2.929 -2.048 1.00 . A A . 15 LEU HB2 1 1 8 1778 1 1 15 LEU HB3 H 5.132 2.485 -1.082 1.00 . A A . 15 LEU HB3 1 1 8 1779 1 1 15 LEU HD11 H 6.481 5.042 -3.356 1.00 . A A . 15 LEU HD11 1 1 8 1780 1 1 15 LEU HD12 H 6.347 5.941 -1.838 1.00 . A A . 15 LEU HD12 1 1 8 1781 1 1 15 LEU HD13 H 5.156 6.179 -3.126 1.00 . A A . 15 LEU HD13 1 1 8 1782 1 1 15 LEU HD21 H 4.698 3.180 -3.845 1.00 . A A . 15 LEU HD21 1 1 8 1783 1 1 15 LEU HD22 H 3.560 4.510 -3.679 1.00 . A A . 15 LEU HD22 1 1 8 1784 1 1 15 LEU HD23 H 3.356 3.059 -2.699 1.00 . A A . 15 LEU HD23 1 1 8 1785 1 1 15 LEU HG H 4.299 4.734 -1.303 1.00 . A A . 15 LEU HG 1 1 8 1786 1 1 15 LEU N N 7.015 2.597 0.549 1.00 . A A . 15 LEU N 1 1 8 1787 1 1 15 LEU O O 5.468 5.557 1.135 1.00 . A A . 15 LEU O 1 1 8 1788 1 1 16 CYS C C 3.346 2.841 3.348 1.00 . A A . 16 CYS C 1 1 8 1789 1 1 16 CYS CA C 3.607 3.960 2.348 1.00 . A A . 16 CYS CA 1 1 8 1790 1 1 16 CYS CB C 2.315 4.407 1.653 1.00 . A A . 16 CYS CB 1 1 8 1791 1 1 16 CYS H H 4.588 2.573 1.139 1.00 . A A . 16 CYS H 1 1 8 1792 1 1 16 CYS HA H 4.033 4.797 2.882 1.00 . A A . 16 CYS HA 1 1 8 1793 1 1 16 CYS HB2 H 2.567 5.058 0.830 1.00 . A A . 16 CYS HB2 1 1 8 1794 1 1 16 CYS HB3 H 1.815 3.529 1.270 1.00 . A A . 16 CYS HB3 1 1 8 1795 1 1 16 CYS N N 4.583 3.521 1.397 1.00 . A A . 16 CYS N 1 1 8 1796 1 1 16 CYS O O 3.620 2.982 4.532 1.00 . A A . 16 CYS O 1 1 8 1797 1 1 16 CYS SG S 1.151 5.296 2.748 1.00 . A A . 16 CYS SG 1 1 8 1798 1 1 17 NH2 HN1 H 2.624 1.650 1.921 1.00 . A A . 17 NH2 HN1 1 1 8 1799 1 1 17 NH2 HN2 H 2.674 0.991 3.514 1.00 . A A . 17 NH2 HN2 1 1 8 1800 1 1 17 NH2 N N 2.828 1.722 2.875 1.00 . A A . 17 NH2 N 1 1 9 1801 1 1 1 GLY C C -4.913 4.637 -3.574 1.00 . A A . 1 GLY C 1 1 9 1802 1 1 1 GLY CA C -5.139 6.118 -3.676 1.00 . A A . 1 GLY CA 1 1 9 1803 1 1 1 GLY H1 H -6.316 7.453 -4.735 1.00 . A A . 1 GLY H1 1 1 9 1804 1 1 1 GLY H2 H -7.022 5.935 -4.464 1.00 . A A . 1 GLY H2 1 1 9 1805 1 1 1 GLY H3 H -5.825 6.098 -5.624 1.00 . A A . 1 GLY H3 1 1 9 1806 1 1 1 GLY HA2 H -4.209 6.597 -3.940 1.00 . A A . 1 GLY HA2 1 1 9 1807 1 1 1 GLY HA3 H -5.476 6.485 -2.718 1.00 . A A . 1 GLY HA3 1 1 9 1808 1 1 1 GLY N N -6.138 6.431 -4.692 1.00 . A A . 1 GLY N 1 1 9 1809 1 1 1 GLY O O -5.796 3.897 -3.130 1.00 . A A . 1 GLY O 1 1 9 1810 1 1 2 CYS C C -2.980 2.347 -2.596 1.00 . A A . 2 CYS C 1 1 9 1811 1 1 2 CYS CA C -3.437 2.785 -3.973 1.00 . A A . 2 CYS CA 1 1 9 1812 1 1 2 CYS CB C -2.349 2.528 -4.991 1.00 . A A . 2 CYS CB 1 1 9 1813 1 1 2 CYS H H -3.035 4.821 -4.223 1.00 . A A . 2 CYS H 1 1 9 1814 1 1 2 CYS HA H -4.324 2.239 -4.254 1.00 . A A . 2 CYS HA 1 1 9 1815 1 1 2 CYS HB2 H -2.368 3.346 -5.692 1.00 . A A . 2 CYS HB2 1 1 9 1816 1 1 2 CYS HB3 H -1.406 2.574 -4.468 1.00 . A A . 2 CYS HB3 1 1 9 1817 1 1 2 CYS N N -3.739 4.192 -3.950 1.00 . A A . 2 CYS N 1 1 9 1818 1 1 2 CYS O O -3.245 1.241 -2.166 1.00 . A A . 2 CYS O 1 1 9 1819 1 1 2 CYS SG S -2.472 0.909 -5.846 1.00 . A A . 2 CYS SG 1 1 9 1820 1 1 3 CYS C C -3.031 2.882 0.463 1.00 . A A . 3 CYS C 1 1 9 1821 1 1 3 CYS CA C -1.858 2.993 -0.525 1.00 . A A . 3 CYS CA 1 1 9 1822 1 1 3 CYS CB C -0.868 4.085 -0.077 1.00 . A A . 3 CYS CB 1 1 9 1823 1 1 3 CYS H H -2.178 4.122 -2.316 1.00 . A A . 3 CYS H 1 1 9 1824 1 1 3 CYS HA H -1.348 2.041 -0.548 1.00 . A A . 3 CYS HA 1 1 9 1825 1 1 3 CYS HB2 H -0.070 4.155 -0.801 1.00 . A A . 3 CYS HB2 1 1 9 1826 1 1 3 CYS HB3 H -1.385 5.031 -0.028 1.00 . A A . 3 CYS HB3 1 1 9 1827 1 1 3 CYS N N -2.347 3.253 -1.888 1.00 . A A . 3 CYS N 1 1 9 1828 1 1 3 CYS O O -2.879 2.408 1.598 1.00 . A A . 3 CYS O 1 1 9 1829 1 1 3 CYS SG S -0.094 3.795 1.555 1.00 . A A . 3 CYS SG 1 1 9 1830 1 1 4 SER C C -6.018 1.780 0.608 1.00 . A A . 4 SER C 1 1 9 1831 1 1 4 SER CA C -5.399 3.171 0.796 1.00 . A A . 4 SER CA 1 1 9 1832 1 1 4 SER CB C -6.362 4.237 0.311 1.00 . A A . 4 SER CB 1 1 9 1833 1 1 4 SER H H -4.304 3.636 -0.890 1.00 . A A . 4 SER H 1 1 9 1834 1 1 4 SER HA H -5.159 3.346 1.833 1.00 . A A . 4 SER HA 1 1 9 1835 1 1 4 SER HB2 H -6.679 3.999 -0.693 1.00 . A A . 4 SER HB2 1 1 9 1836 1 1 4 SER HB3 H -7.216 4.271 0.965 1.00 . A A . 4 SER HB3 1 1 9 1837 1 1 4 SER HG H -6.462 6.149 0.411 1.00 . A A . 4 SER HG 1 1 9 1838 1 1 4 SER N N -4.211 3.254 0.007 1.00 . A A . 4 SER N 1 1 9 1839 1 1 4 SER O O -6.982 1.409 1.275 1.00 . A A . 4 SER O 1 1 9 1840 1 1 4 SER OG O -5.742 5.517 0.289 1.00 . A A . 4 SER OG 1 1 9 1841 1 1 5 ASP C C -4.778 -1.286 -0.068 1.00 . A A . 5 ASP C 1 1 9 1842 1 1 5 ASP CA C -5.843 -0.328 -0.576 1.00 . A A . 5 ASP CA 1 1 9 1843 1 1 5 ASP CB C -6.043 -0.510 -2.084 1.00 . A A . 5 ASP CB 1 1 9 1844 1 1 5 ASP CG C -6.333 -1.938 -2.464 1.00 . A A . 5 ASP CG 1 1 9 1845 1 1 5 ASP H H -4.650 1.366 -0.781 1.00 . A A . 5 ASP H 1 1 9 1846 1 1 5 ASP HA H -6.776 -0.513 -0.066 1.00 . A A . 5 ASP HA 1 1 9 1847 1 1 5 ASP HB2 H -6.875 0.098 -2.406 1.00 . A A . 5 ASP HB2 1 1 9 1848 1 1 5 ASP HB3 H -5.150 -0.191 -2.599 1.00 . A A . 5 ASP HB3 1 1 9 1849 1 1 5 ASP N N -5.429 1.021 -0.289 1.00 . A A . 5 ASP N 1 1 9 1850 1 1 5 ASP O O -3.666 -1.303 -0.591 1.00 . A A . 5 ASP O 1 1 9 1851 1 1 5 ASP OD1 O -7.489 -2.398 -2.274 1.00 . A A . 5 ASP OD1 1 1 9 1852 1 1 5 ASP OD2 O -5.424 -2.620 -2.979 1.00 . A A . 5 ASP OD2 1 1 9 1853 1 1 6 PRO C C -3.420 -3.972 0.599 1.00 . A A . 6 PRO C 1 1 9 1854 1 1 6 PRO CA C -4.133 -3.008 1.592 1.00 . A A . 6 PRO CA 1 1 9 1855 1 1 6 PRO CB C -4.956 -3.746 2.654 1.00 . A A . 6 PRO CB 1 1 9 1856 1 1 6 PRO CD C -6.370 -2.044 1.719 1.00 . A A . 6 PRO CD 1 1 9 1857 1 1 6 PRO CG C -6.062 -2.801 2.986 1.00 . A A . 6 PRO CG 1 1 9 1858 1 1 6 PRO HA H -3.322 -2.476 2.070 1.00 . A A . 6 PRO HA 1 1 9 1859 1 1 6 PRO HB2 H -5.324 -4.683 2.264 1.00 . A A . 6 PRO HB2 1 1 9 1860 1 1 6 PRO HB3 H -4.339 -3.933 3.519 1.00 . A A . 6 PRO HB3 1 1 9 1861 1 1 6 PRO HD2 H -7.140 -2.549 1.153 1.00 . A A . 6 PRO HD2 1 1 9 1862 1 1 6 PRO HD3 H -6.670 -1.034 1.954 1.00 . A A . 6 PRO HD3 1 1 9 1863 1 1 6 PRO HG2 H -6.928 -3.352 3.319 1.00 . A A . 6 PRO HG2 1 1 9 1864 1 1 6 PRO HG3 H -5.737 -2.118 3.758 1.00 . A A . 6 PRO HG3 1 1 9 1865 1 1 6 PRO N N -5.083 -2.056 0.989 1.00 . A A . 6 PRO N 1 1 9 1866 1 1 6 PRO O O -2.193 -4.094 0.686 1.00 . A A . 6 PRO O 1 1 9 1867 1 1 7 PRO C C -2.411 -4.767 -2.144 1.00 . A A . 7 PRO C 1 1 9 1868 1 1 7 PRO CA C -3.464 -5.532 -1.342 1.00 . A A . 7 PRO CA 1 1 9 1869 1 1 7 PRO CB C -4.600 -5.995 -2.256 1.00 . A A . 7 PRO CB 1 1 9 1870 1 1 7 PRO CD C -5.603 -4.731 -0.522 1.00 . A A . 7 PRO CD 1 1 9 1871 1 1 7 PRO CG C -5.802 -5.927 -1.398 1.00 . A A . 7 PRO CG 1 1 9 1872 1 1 7 PRO HA H -2.999 -6.382 -0.867 1.00 . A A . 7 PRO HA 1 1 9 1873 1 1 7 PRO HB2 H -4.672 -5.330 -3.103 1.00 . A A . 7 PRO HB2 1 1 9 1874 1 1 7 PRO HB3 H -4.412 -7.004 -2.595 1.00 . A A . 7 PRO HB3 1 1 9 1875 1 1 7 PRO HD2 H -5.969 -3.841 -1.014 1.00 . A A . 7 PRO HD2 1 1 9 1876 1 1 7 PRO HD3 H -6.098 -4.870 0.426 1.00 . A A . 7 PRO HD3 1 1 9 1877 1 1 7 PRO HG2 H -6.685 -5.807 -2.008 1.00 . A A . 7 PRO HG2 1 1 9 1878 1 1 7 PRO HG3 H -5.876 -6.820 -0.796 1.00 . A A . 7 PRO HG3 1 1 9 1879 1 1 7 PRO N N -4.133 -4.674 -0.354 1.00 . A A . 7 PRO N 1 1 9 1880 1 1 7 PRO O O -1.304 -5.271 -2.355 1.00 . A A . 7 PRO O 1 1 9 1881 1 1 8 CYS C C -0.671 -2.267 -2.370 1.00 . A A . 8 CYS C 1 1 9 1882 1 1 8 CYS CA C -1.803 -2.710 -3.290 1.00 . A A . 8 CYS CA 1 1 9 1883 1 1 8 CYS CB C -2.485 -1.478 -3.912 1.00 . A A . 8 CYS CB 1 1 9 1884 1 1 8 CYS H H -3.665 -3.218 -2.417 1.00 . A A . 8 CYS H 1 1 9 1885 1 1 8 CYS HA H -1.378 -3.311 -4.080 1.00 . A A . 8 CYS HA 1 1 9 1886 1 1 8 CYS HB2 H -3.219 -1.804 -4.634 1.00 . A A . 8 CYS HB2 1 1 9 1887 1 1 8 CYS HB3 H -2.975 -0.915 -3.133 1.00 . A A . 8 CYS HB3 1 1 9 1888 1 1 8 CYS N N -2.749 -3.550 -2.571 1.00 . A A . 8 CYS N 1 1 9 1889 1 1 8 CYS O O 0.498 -2.393 -2.718 1.00 . A A . 8 CYS O 1 1 9 1890 1 1 8 CYS SG S -1.313 -0.351 -4.766 1.00 . A A . 8 CYS SG 1 1 9 1891 1 1 9 ARG C C 0.966 -2.344 0.125 1.00 . A A . 9 ARG C 1 1 9 1892 1 1 9 ARG CA C -0.102 -1.299 -0.142 1.00 . A A . 9 ARG CA 1 1 9 1893 1 1 9 ARG CB C -0.895 -1.037 1.145 1.00 . A A . 9 ARG CB 1 1 9 1894 1 1 9 ARG CD C 1.002 -0.589 2.832 1.00 . A A . 9 ARG CD 1 1 9 1895 1 1 9 ARG CG C -0.269 -0.064 2.163 1.00 . A A . 9 ARG CG 1 1 9 1896 1 1 9 ARG CZ C 1.793 -2.593 4.077 1.00 . A A . 9 ARG CZ 1 1 9 1897 1 1 9 ARG H H -2.000 -1.770 -0.972 1.00 . A A . 9 ARG H 1 1 9 1898 1 1 9 ARG HA H 0.360 -0.380 -0.476 1.00 . A A . 9 ARG HA 1 1 9 1899 1 1 9 ARG HB2 H -1.881 -0.705 0.867 1.00 . A A . 9 ARG HB2 1 1 9 1900 1 1 9 ARG HB3 H -1.014 -1.994 1.630 1.00 . A A . 9 ARG HB3 1 1 9 1901 1 1 9 ARG HD2 H 1.756 -0.734 2.072 1.00 . A A . 9 ARG HD2 1 1 9 1902 1 1 9 ARG HD3 H 1.352 0.148 3.539 1.00 . A A . 9 ARG HD3 1 1 9 1903 1 1 9 ARG HE H -0.119 -2.194 3.565 1.00 . A A . 9 ARG HE 1 1 9 1904 1 1 9 ARG HG2 H -0.004 0.828 1.615 1.00 . A A . 9 ARG HG2 1 1 9 1905 1 1 9 ARG HG3 H -1.003 0.180 2.917 1.00 . A A . 9 ARG HG3 1 1 9 1906 1 1 9 ARG HH11 H 3.277 -1.193 3.800 1.00 . A A . 9 ARG HH11 1 1 9 1907 1 1 9 ARG HH12 H 3.792 -2.643 4.531 1.00 . A A . 9 ARG HH12 1 1 9 1908 1 1 9 ARG HH21 H 0.584 -4.156 4.588 1.00 . A A . 9 ARG HH21 1 1 9 1909 1 1 9 ARG HH22 H 2.211 -4.380 5.015 1.00 . A A . 9 ARG HH22 1 1 9 1910 1 1 9 ARG N N -1.037 -1.800 -1.173 1.00 . A A . 9 ARG N 1 1 9 1911 1 1 9 ARG NE N 0.808 -1.860 3.533 1.00 . A A . 9 ARG NE 1 1 9 1912 1 1 9 ARG NH1 N 3.037 -2.109 4.142 1.00 . A A . 9 ARG NH1 1 1 9 1913 1 1 9 ARG NH2 N 1.519 -3.786 4.594 1.00 . A A . 9 ARG NH2 1 1 9 1914 1 1 9 ARG O O 2.122 -2.023 0.325 1.00 . A A . 9 ARG O 1 1 9 1915 1 1 10 ASN C C 2.650 -4.742 -0.674 1.00 . A A . 10 ASN C 1 1 9 1916 1 1 10 ASN CA C 1.469 -4.738 0.305 1.00 . A A . 10 ASN CA 1 1 9 1917 1 1 10 ASN CB C 0.733 -6.082 0.239 1.00 . A A . 10 ASN CB 1 1 9 1918 1 1 10 ASN CG C -0.159 -6.376 1.433 1.00 . A A . 10 ASN CG 1 1 9 1919 1 1 10 ASN H H -0.428 -3.693 0.071 1.00 . A A . 10 ASN H 1 1 9 1920 1 1 10 ASN HA H 1.893 -4.625 1.287 1.00 . A A . 10 ASN HA 1 1 9 1921 1 1 10 ASN HB2 H 0.116 -6.098 -0.647 1.00 . A A . 10 ASN HB2 1 1 9 1922 1 1 10 ASN HB3 H 1.470 -6.868 0.161 1.00 . A A . 10 ASN HB3 1 1 9 1923 1 1 10 ASN HD21 H 1.110 -5.497 2.670 1.00 . A A . 10 ASN HD21 1 1 9 1924 1 1 10 ASN HD22 H -0.295 -6.143 3.402 1.00 . A A . 10 ASN HD22 1 1 9 1925 1 1 10 ASN N N 0.552 -3.583 0.131 1.00 . A A . 10 ASN N 1 1 9 1926 1 1 10 ASN ND2 N 0.251 -5.968 2.602 1.00 . A A . 10 ASN ND2 1 1 9 1927 1 1 10 ASN O O 3.714 -5.266 -0.369 1.00 . A A . 10 ASN O 1 1 9 1928 1 1 10 ASN OD1 O -1.196 -7.027 1.296 1.00 . A A . 10 ASN OD1 1 1 9 1929 1 1 11 LYS C C 4.296 -2.814 -2.674 1.00 . A A . 11 LYS C 1 1 9 1930 1 1 11 LYS CA C 3.491 -4.077 -2.830 1.00 . A A . 11 LYS CA 1 1 9 1931 1 1 11 LYS CB C 2.879 -4.104 -4.234 1.00 . A A . 11 LYS CB 1 1 9 1932 1 1 11 LYS CD C 1.272 -6.044 -3.902 1.00 . A A . 11 LYS CD 1 1 9 1933 1 1 11 LYS CE C 0.824 -7.406 -4.388 1.00 . A A . 11 LYS CE 1 1 9 1934 1 1 11 LYS CG C 2.403 -5.479 -4.736 1.00 . A A . 11 LYS CG 1 1 9 1935 1 1 11 LYS H H 1.618 -3.703 -2.028 1.00 . A A . 11 LYS H 1 1 9 1936 1 1 11 LYS HA H 4.139 -4.934 -2.722 1.00 . A A . 11 LYS HA 1 1 9 1937 1 1 11 LYS HB2 H 2.063 -3.394 -4.266 1.00 . A A . 11 LYS HB2 1 1 9 1938 1 1 11 LYS HB3 H 3.623 -3.710 -4.902 1.00 . A A . 11 LYS HB3 1 1 9 1939 1 1 11 LYS HD2 H 1.606 -6.134 -2.879 1.00 . A A . 11 LYS HD2 1 1 9 1940 1 1 11 LYS HD3 H 0.435 -5.362 -3.943 1.00 . A A . 11 LYS HD3 1 1 9 1941 1 1 11 LYS HE2 H 0.532 -7.332 -5.425 1.00 . A A . 11 LYS HE2 1 1 9 1942 1 1 11 LYS HE3 H 1.646 -8.099 -4.294 1.00 . A A . 11 LYS HE3 1 1 9 1943 1 1 11 LYS HG2 H 2.059 -5.379 -5.755 1.00 . A A . 11 LYS HG2 1 1 9 1944 1 1 11 LYS HG3 H 3.239 -6.164 -4.710 1.00 . A A . 11 LYS HG3 1 1 9 1945 1 1 11 LYS HZ1 H -0.689 -8.790 -3.996 1.00 . A A . 11 LYS HZ1 1 1 9 1946 1 1 11 LYS HZ2 H -1.093 -7.208 -3.614 1.00 . A A . 11 LYS HZ2 1 1 9 1947 1 1 11 LYS HZ3 H -0.034 -8.083 -2.613 1.00 . A A . 11 LYS HZ3 1 1 9 1948 1 1 11 LYS N N 2.467 -4.148 -1.820 1.00 . A A . 11 LYS N 1 1 9 1949 1 1 11 LYS NZ N -0.319 -7.904 -3.595 1.00 . A A . 11 LYS NZ 1 1 9 1950 1 1 11 LYS O O 5.310 -2.622 -3.349 1.00 . A A . 11 LYS O 1 1 9 1951 1 1 12 HIS C C 4.829 -0.452 -0.130 1.00 . A A . 12 HIS C 1 1 9 1952 1 1 12 HIS CA C 4.488 -0.674 -1.595 1.00 . A A . 12 HIS CA 1 1 9 1953 1 1 12 HIS CB C 3.551 0.437 -2.098 1.00 . A A . 12 HIS CB 1 1 9 1954 1 1 12 HIS CD2 C 2.086 -0.286 -4.075 1.00 . A A . 12 HIS CD2 1 1 9 1955 1 1 12 HIS CE1 C 3.313 0.379 -5.713 1.00 . A A . 12 HIS CE1 1 1 9 1956 1 1 12 HIS CG C 3.169 0.297 -3.532 1.00 . A A . 12 HIS CG 1 1 9 1957 1 1 12 HIS H H 3.140 -2.226 -1.165 1.00 . A A . 12 HIS H 1 1 9 1958 1 1 12 HIS HA H 5.392 -0.660 -2.184 1.00 . A A . 12 HIS HA 1 1 9 1959 1 1 12 HIS HB2 H 2.641 0.403 -1.516 1.00 . A A . 12 HIS HB2 1 1 9 1960 1 1 12 HIS HB3 H 4.016 1.398 -1.955 1.00 . A A . 12 HIS HB3 1 1 9 1961 1 1 12 HIS HD1 H 4.801 1.188 -4.526 1.00 . A A . 12 HIS HD1 1 1 9 1962 1 1 12 HIS HD2 H 1.292 -0.761 -3.513 1.00 . A A . 12 HIS HD2 1 1 9 1963 1 1 12 HIS HE1 H 3.700 0.527 -6.709 1.00 . A A . 12 HIS HE1 1 1 9 1964 1 1 12 HIS N N 3.872 -1.970 -1.773 1.00 . A A . 12 HIS N 1 1 9 1965 1 1 12 HIS ND1 N 3.939 0.721 -4.585 1.00 . A A . 12 HIS ND1 1 1 9 1966 1 1 12 HIS NE2 N 2.174 -0.231 -5.457 1.00 . A A . 12 HIS NE2 1 1 9 1967 1 1 12 HIS O O 4.189 0.348 0.556 1.00 . A A . 12 HIS O 1 1 9 1968 1 1 13 PRO C C 7.085 0.048 2.132 1.00 . A A . 13 PRO C 1 1 9 1969 1 1 13 PRO CA C 6.168 -1.114 1.793 1.00 . A A . 13 PRO CA 1 1 9 1970 1 1 13 PRO CB C 6.890 -2.449 2.040 1.00 . A A . 13 PRO CB 1 1 9 1971 1 1 13 PRO CD C 6.694 -2.111 -0.314 1.00 . A A . 13 PRO CD 1 1 9 1972 1 1 13 PRO CG C 6.886 -3.164 0.722 1.00 . A A . 13 PRO CG 1 1 9 1973 1 1 13 PRO HA H 5.288 -1.070 2.416 1.00 . A A . 13 PRO HA 1 1 9 1974 1 1 13 PRO HB2 H 7.896 -2.247 2.376 1.00 . A A . 13 PRO HB2 1 1 9 1975 1 1 13 PRO HB3 H 6.361 -3.012 2.795 1.00 . A A . 13 PRO HB3 1 1 9 1976 1 1 13 PRO HD2 H 7.637 -1.654 -0.576 1.00 . A A . 13 PRO HD2 1 1 9 1977 1 1 13 PRO HD3 H 6.199 -2.512 -1.185 1.00 . A A . 13 PRO HD3 1 1 9 1978 1 1 13 PRO HG2 H 7.826 -3.669 0.569 1.00 . A A . 13 PRO HG2 1 1 9 1979 1 1 13 PRO HG3 H 6.067 -3.867 0.694 1.00 . A A . 13 PRO HG3 1 1 9 1980 1 1 13 PRO N N 5.825 -1.171 0.393 1.00 . A A . 13 PRO N 1 1 9 1981 1 1 13 PRO O O 7.190 0.434 3.287 1.00 . A A . 13 PRO O 1 1 9 1982 1 1 14 ASP C C 7.986 2.989 1.766 1.00 . A A . 14 ASP C 1 1 9 1983 1 1 14 ASP CA C 8.672 1.697 1.394 1.00 . A A . 14 ASP CA 1 1 9 1984 1 1 14 ASP CB C 9.641 1.924 0.241 1.00 . A A . 14 ASP CB 1 1 9 1985 1 1 14 ASP CG C 10.561 3.099 0.509 1.00 . A A . 14 ASP CG 1 1 9 1986 1 1 14 ASP H H 7.539 0.337 0.212 1.00 . A A . 14 ASP H 1 1 9 1987 1 1 14 ASP HA H 9.243 1.383 2.257 1.00 . A A . 14 ASP HA 1 1 9 1988 1 1 14 ASP HB2 H 10.243 1.038 0.099 1.00 . A A . 14 ASP HB2 1 1 9 1989 1 1 14 ASP HB3 H 9.082 2.126 -0.661 1.00 . A A . 14 ASP HB3 1 1 9 1990 1 1 14 ASP N N 7.722 0.628 1.132 1.00 . A A . 14 ASP N 1 1 9 1991 1 1 14 ASP O O 8.314 3.597 2.782 1.00 . A A . 14 ASP O 1 1 9 1992 1 1 14 ASP OD1 O 11.503 2.970 1.318 1.00 . A A . 14 ASP OD1 1 1 9 1993 1 1 14 ASP OD2 O 10.371 4.174 -0.094 1.00 . A A . 14 ASP OD2 1 1 9 1994 1 1 15 LEU C C 5.168 4.433 2.205 1.00 . A A . 15 LEU C 1 1 9 1995 1 1 15 LEU CA C 6.352 4.651 1.279 1.00 . A A . 15 LEU CA 1 1 9 1996 1 1 15 LEU CB C 5.926 5.454 0.017 1.00 . A A . 15 LEU CB 1 1 9 1997 1 1 15 LEU CD1 C 4.373 5.974 -1.885 1.00 . A A . 15 LEU CD1 1 1 9 1998 1 1 15 LEU CD2 C 5.024 3.635 -1.489 1.00 . A A . 15 LEU CD2 1 1 9 1999 1 1 15 LEU CG C 4.731 4.953 -0.824 1.00 . A A . 15 LEU CG 1 1 9 2000 1 1 15 LEU H H 6.779 2.880 0.190 1.00 . A A . 15 LEU H 1 1 9 2001 1 1 15 LEU HA H 7.098 5.215 1.813 1.00 . A A . 15 LEU HA 1 1 9 2002 1 1 15 LEU HB2 H 5.694 6.458 0.336 1.00 . A A . 15 LEU HB2 1 1 9 2003 1 1 15 LEU HB3 H 6.788 5.513 -0.632 1.00 . A A . 15 LEU HB3 1 1 9 2004 1 1 15 LEU HD11 H 3.551 5.604 -2.479 1.00 . A A . 15 LEU HD11 1 1 9 2005 1 1 15 LEU HD12 H 5.227 6.153 -2.519 1.00 . A A . 15 LEU HD12 1 1 9 2006 1 1 15 LEU HD13 H 4.080 6.896 -1.407 1.00 . A A . 15 LEU HD13 1 1 9 2007 1 1 15 LEU HD21 H 5.173 2.873 -0.739 1.00 . A A . 15 LEU HD21 1 1 9 2008 1 1 15 LEU HD22 H 5.919 3.735 -2.085 1.00 . A A . 15 LEU HD22 1 1 9 2009 1 1 15 LEU HD23 H 4.193 3.371 -2.125 1.00 . A A . 15 LEU HD23 1 1 9 2010 1 1 15 LEU HG H 3.874 4.833 -0.177 1.00 . A A . 15 LEU HG 1 1 9 2011 1 1 15 LEU N N 7.019 3.403 0.980 1.00 . A A . 15 LEU N 1 1 9 2012 1 1 15 LEU O O 4.651 5.374 2.809 1.00 . A A . 15 LEU O 1 1 9 2013 1 1 16 CYS C C 4.072 1.704 4.060 1.00 . A A . 16 CYS C 1 1 9 2014 1 1 16 CYS CA C 3.665 2.854 3.138 1.00 . A A . 16 CYS CA 1 1 9 2015 1 1 16 CYS CB C 2.522 2.447 2.258 1.00 . A A . 16 CYS CB 1 1 9 2016 1 1 16 CYS H H 5.093 2.452 1.801 1.00 . A A . 16 CYS H 1 1 9 2017 1 1 16 CYS HA H 3.367 3.715 3.716 1.00 . A A . 16 CYS HA 1 1 9 2018 1 1 16 CYS HB2 H 2.846 1.622 1.639 1.00 . A A . 16 CYS HB2 1 1 9 2019 1 1 16 CYS HB3 H 1.735 2.114 2.902 1.00 . A A . 16 CYS HB3 1 1 9 2020 1 1 16 CYS N N 4.736 3.205 2.310 1.00 . A A . 16 CYS N 1 1 9 2021 1 1 16 CYS O O 3.991 0.525 3.685 1.00 . A A . 16 CYS O 1 1 9 2022 1 1 16 CYS SG S 1.892 3.755 1.158 1.00 . A A . 16 CYS SG 1 1 9 2023 1 1 17 NH2 HN1 H 4.574 2.985 5.480 1.00 . A A . 17 NH2 HN1 1 1 9 2024 1 1 17 NH2 HN2 H 4.817 1.317 5.853 1.00 . A A . 17 NH2 HN2 1 1 9 2025 1 1 17 NH2 N N 4.535 2.034 5.245 1.00 . A A . 17 NH2 N 1 1 10 2026 1 1 1 GLY C C -5.593 4.605 -2.311 1.00 . A A . 1 GLY C 1 1 10 2027 1 1 1 GLY CA C -6.124 5.992 -2.163 1.00 . A A . 1 GLY CA 1 1 10 2028 1 1 1 GLY H1 H -7.871 5.407 -1.254 1.00 . A A . 1 GLY H1 1 1 10 2029 1 1 1 GLY H2 H -7.464 7.018 -0.940 1.00 . A A . 1 GLY H2 1 1 10 2030 1 1 1 GLY H3 H -6.634 5.763 -0.170 1.00 . A A . 1 GLY H3 1 1 10 2031 1 1 1 GLY HA2 H -6.608 6.275 -3.086 1.00 . A A . 1 GLY HA2 1 1 10 2032 1 1 1 GLY HA3 H -5.307 6.674 -1.978 1.00 . A A . 1 GLY HA3 1 1 10 2033 1 1 1 GLY N N -7.084 6.060 -1.064 1.00 . A A . 1 GLY N 1 1 10 2034 1 1 1 GLY O O -6.182 3.661 -1.791 1.00 . A A . 1 GLY O 1 1 10 2035 1 1 2 CYS C C -3.186 2.700 -1.939 1.00 . A A . 2 CYS C 1 1 10 2036 1 1 2 CYS CA C -3.900 3.161 -3.206 1.00 . A A . 2 CYS CA 1 1 10 2037 1 1 2 CYS CB C -2.929 3.265 -4.362 1.00 . A A . 2 CYS CB 1 1 10 2038 1 1 2 CYS H H -3.963 5.246 -3.281 1.00 . A A . 2 CYS H 1 1 10 2039 1 1 2 CYS HA H -4.695 2.474 -3.455 1.00 . A A . 2 CYS HA 1 1 10 2040 1 1 2 CYS HB2 H -3.193 4.151 -4.918 1.00 . A A . 2 CYS HB2 1 1 10 2041 1 1 2 CYS HB3 H -1.949 3.423 -3.943 1.00 . A A . 2 CYS HB3 1 1 10 2042 1 1 2 CYS N N -4.465 4.463 -2.958 1.00 . A A . 2 CYS N 1 1 10 2043 1 1 2 CYS O O -3.157 1.534 -1.605 1.00 . A A . 2 CYS O 1 1 10 2044 1 1 2 CYS SG S -2.885 1.811 -5.479 1.00 . A A . 2 CYS SG 1 1 10 2045 1 1 3 CYS C C -3.083 2.990 1.144 1.00 . A A . 3 CYS C 1 1 10 2046 1 1 3 CYS CA C -2.021 3.391 0.076 1.00 . A A . 3 CYS CA 1 1 10 2047 1 1 3 CYS CB C -1.195 4.641 0.494 1.00 . A A . 3 CYS CB 1 1 10 2048 1 1 3 CYS H H -2.770 4.572 -1.535 1.00 . A A . 3 CYS H 1 1 10 2049 1 1 3 CYS HA H -1.360 2.551 -0.076 1.00 . A A . 3 CYS HA 1 1 10 2050 1 1 3 CYS HB2 H -0.565 4.928 -0.333 1.00 . A A . 3 CYS HB2 1 1 10 2051 1 1 3 CYS HB3 H -1.872 5.455 0.703 1.00 . A A . 3 CYS HB3 1 1 10 2052 1 1 3 CYS N N -2.692 3.654 -1.194 1.00 . A A . 3 CYS N 1 1 10 2053 1 1 3 CYS O O -2.762 2.577 2.260 1.00 . A A . 3 CYS O 1 1 10 2054 1 1 3 CYS SG S -0.099 4.455 1.952 1.00 . A A . 3 CYS SG 1 1 10 2055 1 1 4 SER C C -5.923 1.294 1.161 1.00 . A A . 4 SER C 1 1 10 2056 1 1 4 SER CA C -5.452 2.697 1.587 1.00 . A A . 4 SER CA 1 1 10 2057 1 1 4 SER CB C -6.592 3.663 1.352 1.00 . A A . 4 SER CB 1 1 10 2058 1 1 4 SER H H -4.587 3.514 -0.090 1.00 . A A . 4 SER H 1 1 10 2059 1 1 4 SER HA H -5.179 2.721 2.630 1.00 . A A . 4 SER HA 1 1 10 2060 1 1 4 SER HB2 H -7.062 3.442 0.404 1.00 . A A . 4 SER HB2 1 1 10 2061 1 1 4 SER HB3 H -7.306 3.550 2.148 1.00 . A A . 4 SER HB3 1 1 10 2062 1 1 4 SER HG H -5.451 5.073 2.016 1.00 . A A . 4 SER HG 1 1 10 2063 1 1 4 SER N N -4.352 3.106 0.769 1.00 . A A . 4 SER N 1 1 10 2064 1 1 4 SER O O -6.730 0.659 1.850 1.00 . A A . 4 SER O 1 1 10 2065 1 1 4 SER OG O -6.132 5.001 1.335 1.00 . A A . 4 SER OG 1 1 10 2066 1 1 5 ASP C C -4.759 -1.489 -0.470 1.00 . A A . 5 ASP C 1 1 10 2067 1 1 5 ASP CA C -5.868 -0.440 -0.522 1.00 . A A . 5 ASP CA 1 1 10 2068 1 1 5 ASP CB C -6.362 -0.203 -1.956 1.00 . A A . 5 ASP CB 1 1 10 2069 1 1 5 ASP CG C -6.876 -1.448 -2.641 1.00 . A A . 5 ASP CG 1 1 10 2070 1 1 5 ASP H H -4.671 1.270 -0.412 1.00 . A A . 5 ASP H 1 1 10 2071 1 1 5 ASP HA H -6.700 -0.759 0.085 1.00 . A A . 5 ASP HA 1 1 10 2072 1 1 5 ASP HB2 H -7.161 0.524 -1.938 1.00 . A A . 5 ASP HB2 1 1 10 2073 1 1 5 ASP HB3 H -5.543 0.195 -2.538 1.00 . A A . 5 ASP HB3 1 1 10 2074 1 1 5 ASP N N -5.409 0.813 0.047 1.00 . A A . 5 ASP N 1 1 10 2075 1 1 5 ASP O O -3.692 -1.292 -1.047 1.00 . A A . 5 ASP O 1 1 10 2076 1 1 5 ASP OD1 O -7.941 -1.998 -2.228 1.00 . A A . 5 ASP OD1 1 1 10 2077 1 1 5 ASP OD2 O -6.256 -1.886 -3.615 1.00 . A A . 5 ASP OD2 1 1 10 2078 1 1 6 PRO C C -3.081 -4.075 -0.689 1.00 . A A . 6 PRO C 1 1 10 2079 1 1 6 PRO CA C -4.010 -3.678 0.496 1.00 . A A . 6 PRO CA 1 1 10 2080 1 1 6 PRO CB C -4.823 -4.872 1.032 1.00 . A A . 6 PRO CB 1 1 10 2081 1 1 6 PRO CD C -6.269 -2.936 0.920 1.00 . A A . 6 PRO CD 1 1 10 2082 1 1 6 PRO CG C -6.257 -4.440 1.000 1.00 . A A . 6 PRO CG 1 1 10 2083 1 1 6 PRO HA H -3.345 -3.343 1.278 1.00 . A A . 6 PRO HA 1 1 10 2084 1 1 6 PRO HB2 H -4.656 -5.733 0.402 1.00 . A A . 6 PRO HB2 1 1 10 2085 1 1 6 PRO HB3 H -4.506 -5.097 2.040 1.00 . A A . 6 PRO HB3 1 1 10 2086 1 1 6 PRO HD2 H -7.113 -2.620 0.326 1.00 . A A . 6 PRO HD2 1 1 10 2087 1 1 6 PRO HD3 H -6.315 -2.501 1.908 1.00 . A A . 6 PRO HD3 1 1 10 2088 1 1 6 PRO HG2 H -6.748 -4.862 0.136 1.00 . A A . 6 PRO HG2 1 1 10 2089 1 1 6 PRO HG3 H -6.752 -4.774 1.899 1.00 . A A . 6 PRO HG3 1 1 10 2090 1 1 6 PRO N N -5.000 -2.615 0.252 1.00 . A A . 6 PRO N 1 1 10 2091 1 1 6 PRO O O -1.868 -4.055 -0.497 1.00 . A A . 6 PRO O 1 1 10 2092 1 1 7 PRO C C -1.592 -3.839 -3.315 1.00 . A A . 7 PRO C 1 1 10 2093 1 1 7 PRO CA C -2.738 -4.814 -3.067 1.00 . A A . 7 PRO CA 1 1 10 2094 1 1 7 PRO CB C -3.705 -4.774 -4.237 1.00 . A A . 7 PRO CB 1 1 10 2095 1 1 7 PRO CD C -5.026 -4.519 -2.300 1.00 . A A . 7 PRO CD 1 1 10 2096 1 1 7 PRO CG C -4.982 -5.188 -3.640 1.00 . A A . 7 PRO CG 1 1 10 2097 1 1 7 PRO HA H -2.345 -5.813 -2.957 1.00 . A A . 7 PRO HA 1 1 10 2098 1 1 7 PRO HB2 H -3.753 -3.768 -4.627 1.00 . A A . 7 PRO HB2 1 1 10 2099 1 1 7 PRO HB3 H -3.385 -5.454 -5.011 1.00 . A A . 7 PRO HB3 1 1 10 2100 1 1 7 PRO HD2 H -5.467 -3.536 -2.381 1.00 . A A . 7 PRO HD2 1 1 10 2101 1 1 7 PRO HD3 H -5.571 -5.125 -1.593 1.00 . A A . 7 PRO HD3 1 1 10 2102 1 1 7 PRO HG2 H -5.802 -4.866 -4.263 1.00 . A A . 7 PRO HG2 1 1 10 2103 1 1 7 PRO HG3 H -4.999 -6.261 -3.523 1.00 . A A . 7 PRO HG3 1 1 10 2104 1 1 7 PRO N N -3.596 -4.429 -1.921 1.00 . A A . 7 PRO N 1 1 10 2105 1 1 7 PRO O O -0.442 -4.244 -3.510 1.00 . A A . 7 PRO O 1 1 10 2106 1 1 8 CYS C C -0.340 -0.928 -2.241 1.00 . A A . 8 CYS C 1 1 10 2107 1 1 8 CYS CA C -0.877 -1.587 -3.513 1.00 . A A . 8 CYS CA 1 1 10 2108 1 1 8 CYS CB C -1.342 -0.589 -4.563 1.00 . A A . 8 CYS CB 1 1 10 2109 1 1 8 CYS H H -2.782 -2.267 -2.988 1.00 . A A . 8 CYS H 1 1 10 2110 1 1 8 CYS HA H -0.067 -2.160 -3.940 1.00 . A A . 8 CYS HA 1 1 10 2111 1 1 8 CYS HB2 H -0.621 0.211 -4.626 1.00 . A A . 8 CYS HB2 1 1 10 2112 1 1 8 CYS HB3 H -1.389 -1.097 -5.514 1.00 . A A . 8 CYS HB3 1 1 10 2113 1 1 8 CYS N N -1.881 -2.565 -3.244 1.00 . A A . 8 CYS N 1 1 10 2114 1 1 8 CYS O O 0.278 0.140 -2.278 1.00 . A A . 8 CYS O 1 1 10 2115 1 1 8 CYS SG S -2.948 0.184 -4.269 1.00 . A A . 8 CYS SG 1 1 10 2116 1 1 9 ARG C C 0.922 -2.243 0.718 1.00 . A A . 9 ARG C 1 1 10 2117 1 1 9 ARG CA C 0.013 -1.171 0.136 1.00 . A A . 9 ARG CA 1 1 10 2118 1 1 9 ARG CB C -1.120 -0.967 1.102 1.00 . A A . 9 ARG CB 1 1 10 2119 1 1 9 ARG CD C -1.753 -0.383 3.469 1.00 . A A . 9 ARG CD 1 1 10 2120 1 1 9 ARG CG C -0.638 -0.533 2.454 1.00 . A A . 9 ARG CG 1 1 10 2121 1 1 9 ARG CZ C -1.855 0.221 5.898 1.00 . A A . 9 ARG CZ 1 1 10 2122 1 1 9 ARG H H -1.094 -2.402 -1.148 1.00 . A A . 9 ARG H 1 1 10 2123 1 1 9 ARG HA H 0.557 -0.245 0.014 1.00 . A A . 9 ARG HA 1 1 10 2124 1 1 9 ARG HB2 H -1.847 -0.311 0.662 1.00 . A A . 9 ARG HB2 1 1 10 2125 1 1 9 ARG HB3 H -1.601 -1.927 1.218 1.00 . A A . 9 ARG HB3 1 1 10 2126 1 1 9 ARG HD2 H -2.383 0.444 3.178 1.00 . A A . 9 ARG HD2 1 1 10 2127 1 1 9 ARG HD3 H -2.334 -1.292 3.504 1.00 . A A . 9 ARG HD3 1 1 10 2128 1 1 9 ARG HE H -0.210 -0.221 4.840 1.00 . A A . 9 ARG HE 1 1 10 2129 1 1 9 ARG HG2 H 0.075 -1.274 2.782 1.00 . A A . 9 ARG HG2 1 1 10 2130 1 1 9 ARG HG3 H -0.124 0.407 2.315 1.00 . A A . 9 ARG HG3 1 1 10 2131 1 1 9 ARG HH11 H -3.700 0.316 5.028 1.00 . A A . 9 ARG HH11 1 1 10 2132 1 1 9 ARG HH12 H -3.683 0.695 6.687 1.00 . A A . 9 ARG HH12 1 1 10 2133 1 1 9 ARG HH21 H -0.186 0.253 7.062 1.00 . A A . 9 ARG HH21 1 1 10 2134 1 1 9 ARG HH22 H -1.613 0.644 7.899 1.00 . A A . 9 ARG HH22 1 1 10 2135 1 1 9 ARG N N -0.521 -1.605 -1.132 1.00 . A A . 9 ARG N 1 1 10 2136 1 1 9 ARG NE N -1.189 -0.123 4.792 1.00 . A A . 9 ARG NE 1 1 10 2137 1 1 9 ARG NH1 N -3.168 0.420 5.873 1.00 . A A . 9 ARG NH1 1 1 10 2138 1 1 9 ARG NH2 N -1.184 0.385 7.030 1.00 . A A . 9 ARG NH2 1 1 10 2139 1 1 9 ARG O O 2.086 -2.011 1.033 1.00 . A A . 9 ARG O 1 1 10 2140 1 1 10 ASN C C 2.217 -5.029 0.665 1.00 . A A . 10 ASN C 1 1 10 2141 1 1 10 ASN CA C 1.003 -4.575 1.457 1.00 . A A . 10 ASN CA 1 1 10 2142 1 1 10 ASN CB C -0.033 -5.702 1.622 1.00 . A A . 10 ASN CB 1 1 10 2143 1 1 10 ASN CG C 0.525 -6.981 2.204 1.00 . A A . 10 ASN CG 1 1 10 2144 1 1 10 ASN H H -0.568 -3.485 0.523 1.00 . A A . 10 ASN H 1 1 10 2145 1 1 10 ASN HA H 1.343 -4.279 2.435 1.00 . A A . 10 ASN HA 1 1 10 2146 1 1 10 ASN HB2 H -0.826 -5.363 2.271 1.00 . A A . 10 ASN HB2 1 1 10 2147 1 1 10 ASN HB3 H -0.451 -5.922 0.651 1.00 . A A . 10 ASN HB3 1 1 10 2148 1 1 10 ASN HD21 H 0.258 -6.300 4.046 1.00 . A A . 10 ASN HD21 1 1 10 2149 1 1 10 ASN HD22 H 0.928 -7.887 3.910 1.00 . A A . 10 ASN HD22 1 1 10 2150 1 1 10 ASN N N 0.359 -3.410 0.848 1.00 . A A . 10 ASN N 1 1 10 2151 1 1 10 ASN ND2 N 0.575 -7.062 3.512 1.00 . A A . 10 ASN ND2 1 1 10 2152 1 1 10 ASN O O 3.161 -5.608 1.206 1.00 . A A . 10 ASN O 1 1 10 2153 1 1 10 ASN OD1 O 0.919 -7.888 1.467 1.00 . A A . 10 ASN OD1 1 1 10 2154 1 1 11 LYS C C 4.218 -3.871 -1.663 1.00 . A A . 11 LYS C 1 1 10 2155 1 1 11 LYS CA C 3.286 -5.061 -1.489 1.00 . A A . 11 LYS CA 1 1 10 2156 1 1 11 LYS CB C 2.728 -5.493 -2.855 1.00 . A A . 11 LYS CB 1 1 10 2157 1 1 11 LYS CD C 1.227 -7.369 -1.926 1.00 . A A . 11 LYS CD 1 1 10 2158 1 1 11 LYS CE C 0.955 -8.868 -1.978 1.00 . A A . 11 LYS CE 1 1 10 2159 1 1 11 LYS CG C 2.280 -6.967 -2.953 1.00 . A A . 11 LYS CG 1 1 10 2160 1 1 11 LYS H H 1.425 -4.284 -0.987 1.00 . A A . 11 LYS H 1 1 10 2161 1 1 11 LYS HA H 3.836 -5.889 -1.069 1.00 . A A . 11 LYS HA 1 1 10 2162 1 1 11 LYS HB2 H 1.914 -4.836 -3.129 1.00 . A A . 11 LYS HB2 1 1 10 2163 1 1 11 LYS HB3 H 3.510 -5.317 -3.570 1.00 . A A . 11 LYS HB3 1 1 10 2164 1 1 11 LYS HD2 H 1.579 -7.107 -0.939 1.00 . A A . 11 LYS HD2 1 1 10 2165 1 1 11 LYS HD3 H 0.312 -6.836 -2.136 1.00 . A A . 11 LYS HD3 1 1 10 2166 1 1 11 LYS HE2 H 0.491 -9.103 -2.924 1.00 . A A . 11 LYS HE2 1 1 10 2167 1 1 11 LYS HE3 H 1.896 -9.392 -1.902 1.00 . A A . 11 LYS HE3 1 1 10 2168 1 1 11 LYS HG2 H 1.870 -7.143 -3.937 1.00 . A A . 11 LYS HG2 1 1 10 2169 1 1 11 LYS HG3 H 3.152 -7.589 -2.820 1.00 . A A . 11 LYS HG3 1 1 10 2170 1 1 11 LYS HZ1 H -0.873 -8.872 -0.981 1.00 . A A . 11 LYS HZ1 1 1 10 2171 1 1 11 LYS HZ2 H 0.453 -9.050 0.042 1.00 . A A . 11 LYS HZ2 1 1 10 2172 1 1 11 LYS HZ3 H -0.063 -10.345 -0.905 1.00 . A A . 11 LYS HZ3 1 1 10 2173 1 1 11 LYS N N 2.202 -4.736 -0.602 1.00 . A A . 11 LYS N 1 1 10 2174 1 1 11 LYS NZ N 0.061 -9.312 -0.888 1.00 . A A . 11 LYS NZ 1 1 10 2175 1 1 11 LYS O O 5.186 -3.934 -2.413 1.00 . A A . 11 LYS O 1 1 10 2176 1 1 12 HIS C C 4.953 -0.924 0.238 1.00 . A A . 12 HIS C 1 1 10 2177 1 1 12 HIS CA C 4.679 -1.545 -1.114 1.00 . A A . 12 HIS CA 1 1 10 2178 1 1 12 HIS CB C 3.882 -0.559 -1.982 1.00 . A A . 12 HIS CB 1 1 10 2179 1 1 12 HIS CD2 C 2.425 -1.717 -3.698 1.00 . A A . 12 HIS CD2 1 1 10 2180 1 1 12 HIS CE1 C 3.729 -1.736 -5.408 1.00 . A A . 12 HIS CE1 1 1 10 2181 1 1 12 HIS CG C 3.538 -1.095 -3.323 1.00 . A A . 12 HIS CG 1 1 10 2182 1 1 12 HIS H H 3.221 -2.811 -0.278 1.00 . A A . 12 HIS H 1 1 10 2183 1 1 12 HIS HA H 5.614 -1.769 -1.606 1.00 . A A . 12 HIS HA 1 1 10 2184 1 1 12 HIS HB2 H 2.946 -0.393 -1.469 1.00 . A A . 12 HIS HB2 1 1 10 2185 1 1 12 HIS HB3 H 4.369 0.395 -2.078 1.00 . A A . 12 HIS HB3 1 1 10 2186 1 1 12 HIS HD1 H 5.280 -0.731 -4.471 1.00 . A A . 12 HIS HD1 1 1 10 2187 1 1 12 HIS HD2 H 1.598 -1.879 -3.017 1.00 . A A . 12 HIS HD2 1 1 10 2188 1 1 12 HIS HE1 H 4.136 -1.945 -6.384 1.00 . A A . 12 HIS HE1 1 1 10 2189 1 1 12 HIS N N 3.933 -2.791 -0.954 1.00 . A A . 12 HIS N 1 1 10 2190 1 1 12 HIS ND1 N 4.371 -1.102 -4.417 1.00 . A A . 12 HIS ND1 1 1 10 2191 1 1 12 HIS NE2 N 2.533 -2.123 -5.014 1.00 . A A . 12 HIS NE2 1 1 10 2192 1 1 12 HIS O O 4.276 0.028 0.649 1.00 . A A . 12 HIS O 1 1 10 2193 1 1 13 PRO C C 7.006 0.296 2.345 1.00 . A A . 13 PRO C 1 1 10 2194 1 1 13 PRO CA C 6.194 -0.987 2.318 1.00 . A A . 13 PRO CA 1 1 10 2195 1 1 13 PRO CB C 6.957 -2.147 2.956 1.00 . A A . 13 PRO CB 1 1 10 2196 1 1 13 PRO CD C 6.821 -2.566 0.578 1.00 . A A . 13 PRO CD 1 1 10 2197 1 1 13 PRO CG C 7.637 -2.841 1.820 1.00 . A A . 13 PRO CG 1 1 10 2198 1 1 13 PRO HA H 5.280 -0.808 2.863 1.00 . A A . 13 PRO HA 1 1 10 2199 1 1 13 PRO HB2 H 7.671 -1.762 3.670 1.00 . A A . 13 PRO HB2 1 1 10 2200 1 1 13 PRO HB3 H 6.264 -2.808 3.453 1.00 . A A . 13 PRO HB3 1 1 10 2201 1 1 13 PRO HD2 H 7.464 -2.261 -0.234 1.00 . A A . 13 PRO HD2 1 1 10 2202 1 1 13 PRO HD3 H 6.252 -3.440 0.297 1.00 . A A . 13 PRO HD3 1 1 10 2203 1 1 13 PRO HG2 H 8.636 -2.451 1.699 1.00 . A A . 13 PRO HG2 1 1 10 2204 1 1 13 PRO HG3 H 7.676 -3.903 2.013 1.00 . A A . 13 PRO HG3 1 1 10 2205 1 1 13 PRO N N 5.917 -1.457 0.979 1.00 . A A . 13 PRO N 1 1 10 2206 1 1 13 PRO O O 6.927 1.059 3.296 1.00 . A A . 13 PRO O 1 1 10 2207 1 1 14 ASP C C 7.811 2.994 0.965 1.00 . A A . 14 ASP C 1 1 10 2208 1 1 14 ASP CA C 8.595 1.727 1.271 1.00 . A A . 14 ASP CA 1 1 10 2209 1 1 14 ASP CB C 9.754 1.549 0.294 1.00 . A A . 14 ASP CB 1 1 10 2210 1 1 14 ASP CG C 10.690 2.732 0.280 1.00 . A A . 14 ASP CG 1 1 10 2211 1 1 14 ASP H H 7.688 -0.030 0.508 1.00 . A A . 14 ASP H 1 1 10 2212 1 1 14 ASP HA H 8.999 1.828 2.267 1.00 . A A . 14 ASP HA 1 1 10 2213 1 1 14 ASP HB2 H 10.322 0.675 0.573 1.00 . A A . 14 ASP HB2 1 1 10 2214 1 1 14 ASP HB3 H 9.368 1.406 -0.702 1.00 . A A . 14 ASP HB3 1 1 10 2215 1 1 14 ASP N N 7.734 0.564 1.289 1.00 . A A . 14 ASP N 1 1 10 2216 1 1 14 ASP O O 7.953 3.994 1.652 1.00 . A A . 14 ASP O 1 1 10 2217 1 1 14 ASP OD1 O 11.652 2.747 1.075 1.00 . A A . 14 ASP OD1 1 1 10 2218 1 1 14 ASP OD2 O 10.505 3.650 -0.546 1.00 . A A . 14 ASP OD2 1 1 10 2219 1 1 15 LEU C C 4.885 4.253 0.390 1.00 . A A . 15 LEU C 1 1 10 2220 1 1 15 LEU CA C 6.181 4.112 -0.401 1.00 . A A . 15 LEU CA 1 1 10 2221 1 1 15 LEU CB C 5.951 4.174 -1.944 1.00 . A A . 15 LEU CB 1 1 10 2222 1 1 15 LEU CD1 C 3.661 3.142 -2.400 1.00 . A A . 15 LEU CD1 1 1 10 2223 1 1 15 LEU CD2 C 5.476 2.951 -4.103 1.00 . A A . 15 LEU CD2 1 1 10 2224 1 1 15 LEU CG C 5.160 3.026 -2.623 1.00 . A A . 15 LEU CG 1 1 10 2225 1 1 15 LEU H H 6.796 2.098 -0.505 1.00 . A A . 15 LEU H 1 1 10 2226 1 1 15 LEU HA H 6.831 4.926 -0.126 1.00 . A A . 15 LEU HA 1 1 10 2227 1 1 15 LEU HB2 H 5.421 5.092 -2.154 1.00 . A A . 15 LEU HB2 1 1 10 2228 1 1 15 LEU HB3 H 6.919 4.242 -2.418 1.00 . A A . 15 LEU HB3 1 1 10 2229 1 1 15 LEU HD11 H 3.303 4.071 -2.818 1.00 . A A . 15 LEU HD11 1 1 10 2230 1 1 15 LEU HD12 H 3.459 3.120 -1.340 1.00 . A A . 15 LEU HD12 1 1 10 2231 1 1 15 LEU HD13 H 3.162 2.312 -2.880 1.00 . A A . 15 LEU HD13 1 1 10 2232 1 1 15 LEU HD21 H 5.213 3.887 -4.576 1.00 . A A . 15 LEU HD21 1 1 10 2233 1 1 15 LEU HD22 H 4.906 2.150 -4.551 1.00 . A A . 15 LEU HD22 1 1 10 2234 1 1 15 LEU HD23 H 6.531 2.761 -4.240 1.00 . A A . 15 LEU HD23 1 1 10 2235 1 1 15 LEU HG H 5.473 2.098 -2.170 1.00 . A A . 15 LEU HG 1 1 10 2236 1 1 15 LEU N N 6.928 2.934 -0.015 1.00 . A A . 15 LEU N 1 1 10 2237 1 1 15 LEU O O 4.284 5.325 0.432 1.00 . A A . 15 LEU O 1 1 10 2238 1 1 16 CYS C C 3.470 2.537 3.132 1.00 . A A . 16 CYS C 1 1 10 2239 1 1 16 CYS CA C 3.252 3.208 1.789 1.00 . A A . 16 CYS CA 1 1 10 2240 1 1 16 CYS CB C 2.095 2.567 1.005 1.00 . A A . 16 CYS CB 1 1 10 2241 1 1 16 CYS H H 4.979 2.347 1.006 1.00 . A A . 16 CYS H 1 1 10 2242 1 1 16 CYS HA H 3.016 4.247 1.973 1.00 . A A . 16 CYS HA 1 1 10 2243 1 1 16 CYS HB2 H 1.932 3.128 0.097 1.00 . A A . 16 CYS HB2 1 1 10 2244 1 1 16 CYS HB3 H 2.360 1.551 0.752 1.00 . A A . 16 CYS HB3 1 1 10 2245 1 1 16 CYS N N 4.467 3.184 1.027 1.00 . A A . 16 CYS N 1 1 10 2246 1 1 16 CYS O O 3.616 3.209 4.156 1.00 . A A . 16 CYS O 1 1 10 2247 1 1 16 CYS SG S 0.511 2.525 1.898 1.00 . A A . 16 CYS SG 1 1 10 2248 1 1 17 NH2 HN1 H 3.396 0.738 2.299 1.00 . A A . 17 NH2 HN1 1 1 10 2249 1 1 17 NH2 HN2 H 3.671 0.788 4.007 1.00 . A A . 17 NH2 HN2 1 1 10 2250 1 1 17 NH2 N N 3.517 1.226 3.143 1.00 . A A . 17 NH2 N 1 1 11 2251 1 1 1 GLY C C -5.077 4.279 -3.113 1.00 . A A . 1 GLY C 1 1 11 2252 1 1 1 GLY CA C -5.338 5.736 -2.923 1.00 . A A . 1 GLY CA 1 1 11 2253 1 1 1 GLY H1 H -6.967 7.006 -2.742 1.00 . A A . 1 GLY H1 1 1 11 2254 1 1 1 GLY H2 H -7.193 5.458 -2.109 1.00 . A A . 1 GLY H2 1 1 11 2255 1 1 1 GLY H3 H -7.196 5.687 -3.784 1.00 . A A . 1 GLY H3 1 1 11 2256 1 1 1 GLY HA2 H -4.889 6.284 -3.736 1.00 . A A . 1 GLY HA2 1 1 11 2257 1 1 1 GLY HA3 H -4.903 6.057 -1.988 1.00 . A A . 1 GLY HA3 1 1 11 2258 1 1 1 GLY N N -6.770 5.996 -2.890 1.00 . A A . 1 GLY N 1 1 11 2259 1 1 1 GLY O O -5.788 3.456 -2.549 1.00 . A A . 1 GLY O 1 1 11 2260 1 1 2 CYS C C -3.004 2.008 -2.963 1.00 . A A . 2 CYS C 1 1 11 2261 1 1 2 CYS CA C -3.750 2.548 -4.159 1.00 . A A . 2 CYS CA 1 1 11 2262 1 1 2 CYS CB C -2.865 2.420 -5.409 1.00 . A A . 2 CYS CB 1 1 11 2263 1 1 2 CYS H H -3.521 4.656 -4.297 1.00 . A A . 2 CYS H 1 1 11 2264 1 1 2 CYS HA H -4.668 1.998 -4.302 1.00 . A A . 2 CYS HA 1 1 11 2265 1 1 2 CYS HB2 H -3.190 3.133 -6.148 1.00 . A A . 2 CYS HB2 1 1 11 2266 1 1 2 CYS HB3 H -1.857 2.678 -5.121 1.00 . A A . 2 CYS HB3 1 1 11 2267 1 1 2 CYS N N -4.069 3.945 -3.897 1.00 . A A . 2 CYS N 1 1 11 2268 1 1 2 CYS O O -3.388 1.020 -2.361 1.00 . A A . 2 CYS O 1 1 11 2269 1 1 2 CYS SG S -2.809 0.739 -6.155 1.00 . A A . 2 CYS SG 1 1 11 2270 1 1 3 CYS C C -1.866 2.448 -0.132 1.00 . A A . 3 CYS C 1 1 11 2271 1 1 3 CYS CA C -1.113 2.363 -1.466 1.00 . A A . 3 CYS CA 1 1 11 2272 1 1 3 CYS CB C 0.118 3.285 -1.453 1.00 . A A . 3 CYS CB 1 1 11 2273 1 1 3 CYS H H -1.839 3.588 -3.033 1.00 . A A . 3 CYS H 1 1 11 2274 1 1 3 CYS HA H -0.791 1.345 -1.627 1.00 . A A . 3 CYS HA 1 1 11 2275 1 1 3 CYS HB2 H 0.497 3.380 -2.459 1.00 . A A . 3 CYS HB2 1 1 11 2276 1 1 3 CYS HB3 H -0.182 4.260 -1.098 1.00 . A A . 3 CYS HB3 1 1 11 2277 1 1 3 CYS N N -1.996 2.741 -2.563 1.00 . A A . 3 CYS N 1 1 11 2278 1 1 3 CYS O O -1.453 1.903 0.875 1.00 . A A . 3 CYS O 1 1 11 2279 1 1 3 CYS SG S 1.495 2.715 -0.416 1.00 . A A . 3 CYS SG 1 1 11 2280 1 1 4 SER C C -4.787 2.064 1.116 1.00 . A A . 4 SER C 1 1 11 2281 1 1 4 SER CA C -3.806 3.248 0.994 1.00 . A A . 4 SER CA 1 1 11 2282 1 1 4 SER CB C -4.555 4.539 0.838 1.00 . A A . 4 SER CB 1 1 11 2283 1 1 4 SER H H -3.302 3.518 -0.985 1.00 . A A . 4 SER H 1 1 11 2284 1 1 4 SER HA H -3.177 3.311 1.868 1.00 . A A . 4 SER HA 1 1 11 2285 1 1 4 SER HB2 H -5.310 4.420 0.076 1.00 . A A . 4 SER HB2 1 1 11 2286 1 1 4 SER HB3 H -5.009 4.802 1.778 1.00 . A A . 4 SER HB3 1 1 11 2287 1 1 4 SER HG H -2.836 5.429 0.927 1.00 . A A . 4 SER HG 1 1 11 2288 1 1 4 SER N N -2.996 3.093 -0.159 1.00 . A A . 4 SER N 1 1 11 2289 1 1 4 SER O O -5.547 1.966 2.090 1.00 . A A . 4 SER O 1 1 11 2290 1 1 4 SER OG O -3.666 5.574 0.452 1.00 . A A . 4 SER OG 1 1 11 2291 1 1 5 ASP C C -4.700 -1.242 0.221 1.00 . A A . 5 ASP C 1 1 11 2292 1 1 5 ASP CA C -5.599 -0.005 0.125 1.00 . A A . 5 ASP CA 1 1 11 2293 1 1 5 ASP CB C -6.451 -0.044 -1.148 1.00 . A A . 5 ASP CB 1 1 11 2294 1 1 5 ASP CG C -7.452 -1.178 -1.164 1.00 . A A . 5 ASP CG 1 1 11 2295 1 1 5 ASP H H -4.141 1.308 -0.624 1.00 . A A . 5 ASP H 1 1 11 2296 1 1 5 ASP HA H -6.240 0.042 0.993 1.00 . A A . 5 ASP HA 1 1 11 2297 1 1 5 ASP HB2 H -6.994 0.885 -1.235 1.00 . A A . 5 ASP HB2 1 1 11 2298 1 1 5 ASP HB3 H -5.798 -0.151 -2.001 1.00 . A A . 5 ASP HB3 1 1 11 2299 1 1 5 ASP N N -4.759 1.179 0.132 1.00 . A A . 5 ASP N 1 1 11 2300 1 1 5 ASP O O -3.840 -1.446 -0.643 1.00 . A A . 5 ASP O 1 1 11 2301 1 1 5 ASP OD1 O -8.498 -1.078 -0.480 1.00 . A A . 5 ASP OD1 1 1 11 2302 1 1 5 ASP OD2 O -7.253 -2.163 -1.899 1.00 . A A . 5 ASP OD2 1 1 11 2303 1 1 6 PRO C C -3.443 -4.077 0.438 1.00 . A A . 6 PRO C 1 1 11 2304 1 1 6 PRO CA C -4.025 -3.232 1.614 1.00 . A A . 6 PRO CA 1 1 11 2305 1 1 6 PRO CB C -4.864 -4.061 2.574 1.00 . A A . 6 PRO CB 1 1 11 2306 1 1 6 PRO CD C -5.981 -1.943 2.261 1.00 . A A . 6 PRO CD 1 1 11 2307 1 1 6 PRO CG C -5.734 -3.063 3.248 1.00 . A A . 6 PRO CG 1 1 11 2308 1 1 6 PRO HA H -3.170 -2.858 2.159 1.00 . A A . 6 PRO HA 1 1 11 2309 1 1 6 PRO HB2 H -5.430 -4.813 2.048 1.00 . A A . 6 PRO HB2 1 1 11 2310 1 1 6 PRO HB3 H -4.211 -4.541 3.287 1.00 . A A . 6 PRO HB3 1 1 11 2311 1 1 6 PRO HD2 H -6.939 -2.067 1.778 1.00 . A A . 6 PRO HD2 1 1 11 2312 1 1 6 PRO HD3 H -5.933 -0.991 2.768 1.00 . A A . 6 PRO HD3 1 1 11 2313 1 1 6 PRO HG2 H -6.667 -3.528 3.530 1.00 . A A . 6 PRO HG2 1 1 11 2314 1 1 6 PRO HG3 H -5.230 -2.682 4.123 1.00 . A A . 6 PRO HG3 1 1 11 2315 1 1 6 PRO N N -4.887 -2.073 1.279 1.00 . A A . 6 PRO N 1 1 11 2316 1 1 6 PRO O O -2.232 -4.252 0.399 1.00 . A A . 6 PRO O 1 1 11 2317 1 1 7 PRO C C -2.658 -4.642 -2.491 1.00 . A A . 7 PRO C 1 1 11 2318 1 1 7 PRO CA C -3.704 -5.404 -1.662 1.00 . A A . 7 PRO CA 1 1 11 2319 1 1 7 PRO CB C -4.932 -5.732 -2.516 1.00 . A A . 7 PRO CB 1 1 11 2320 1 1 7 PRO CD C -5.726 -4.504 -0.649 1.00 . A A . 7 PRO CD 1 1 11 2321 1 1 7 PRO CG C -6.075 -5.626 -1.578 1.00 . A A . 7 PRO CG 1 1 11 2322 1 1 7 PRO HA H -3.258 -6.318 -1.299 1.00 . A A . 7 PRO HA 1 1 11 2323 1 1 7 PRO HB2 H -5.010 -5.017 -3.322 1.00 . A A . 7 PRO HB2 1 1 11 2324 1 1 7 PRO HB3 H -4.842 -6.728 -2.922 1.00 . A A . 7 PRO HB3 1 1 11 2325 1 1 7 PRO HD2 H -6.022 -3.559 -1.081 1.00 . A A . 7 PRO HD2 1 1 11 2326 1 1 7 PRO HD3 H -6.202 -4.645 0.309 1.00 . A A . 7 PRO HD3 1 1 11 2327 1 1 7 PRO HG2 H -6.979 -5.402 -2.124 1.00 . A A . 7 PRO HG2 1 1 11 2328 1 1 7 PRO HG3 H -6.186 -6.548 -1.026 1.00 . A A . 7 PRO HG3 1 1 11 2329 1 1 7 PRO N N -4.254 -4.603 -0.546 1.00 . A A . 7 PRO N 1 1 11 2330 1 1 7 PRO O O -1.739 -5.238 -3.050 1.00 . A A . 7 PRO O 1 1 11 2331 1 1 8 CYS C C -0.739 -2.070 -2.340 1.00 . A A . 8 CYS C 1 1 11 2332 1 1 8 CYS CA C -1.834 -2.542 -3.289 1.00 . A A . 8 CYS CA 1 1 11 2333 1 1 8 CYS CB C -2.535 -1.366 -3.969 1.00 . A A . 8 CYS CB 1 1 11 2334 1 1 8 CYS H H -3.536 -2.908 -2.096 1.00 . A A . 8 CYS H 1 1 11 2335 1 1 8 CYS HA H -1.386 -3.176 -4.040 1.00 . A A . 8 CYS HA 1 1 11 2336 1 1 8 CYS HB2 H -3.326 -1.748 -4.596 1.00 . A A . 8 CYS HB2 1 1 11 2337 1 1 8 CYS HB3 H -2.966 -0.731 -3.209 1.00 . A A . 8 CYS HB3 1 1 11 2338 1 1 8 CYS N N -2.785 -3.342 -2.558 1.00 . A A . 8 CYS N 1 1 11 2339 1 1 8 CYS O O 0.419 -2.035 -2.695 1.00 . A A . 8 CYS O 1 1 11 2340 1 1 8 CYS SG S -1.477 -0.321 -5.035 1.00 . A A . 8 CYS SG 1 1 11 2341 1 1 9 ARG C C 0.854 -2.363 0.210 1.00 . A A . 9 ARG C 1 1 11 2342 1 1 9 ARG CA C -0.219 -1.333 -0.026 1.00 . A A . 9 ARG CA 1 1 11 2343 1 1 9 ARG CB C -1.019 -1.212 1.241 1.00 . A A . 9 ARG CB 1 1 11 2344 1 1 9 ARG CD C -1.171 -0.363 3.595 1.00 . A A . 9 ARG CD 1 1 11 2345 1 1 9 ARG CG C -0.276 -0.567 2.384 1.00 . A A . 9 ARG CG 1 1 11 2346 1 1 9 ARG CZ C -2.672 -1.727 5.049 1.00 . A A . 9 ARG CZ 1 1 11 2347 1 1 9 ARG H H -2.087 -1.851 -0.902 1.00 . A A . 9 ARG H 1 1 11 2348 1 1 9 ARG HA H 0.231 -0.378 -0.263 1.00 . A A . 9 ARG HA 1 1 11 2349 1 1 9 ARG HB2 H -1.945 -0.713 1.017 1.00 . A A . 9 ARG HB2 1 1 11 2350 1 1 9 ARG HB3 H -1.269 -2.220 1.537 1.00 . A A . 9 ARG HB3 1 1 11 2351 1 1 9 ARG HD2 H -0.595 0.132 4.363 1.00 . A A . 9 ARG HD2 1 1 11 2352 1 1 9 ARG HD3 H -2.007 0.259 3.312 1.00 . A A . 9 ARG HD3 1 1 11 2353 1 1 9 ARG HE H -1.211 -2.434 3.839 1.00 . A A . 9 ARG HE 1 1 11 2354 1 1 9 ARG HG2 H 0.566 -1.193 2.643 1.00 . A A . 9 ARG HG2 1 1 11 2355 1 1 9 ARG HG3 H 0.084 0.389 2.030 1.00 . A A . 9 ARG HG3 1 1 11 2356 1 1 9 ARG HH11 H -3.139 0.269 5.088 1.00 . A A . 9 ARG HH11 1 1 11 2357 1 1 9 ARG HH12 H -4.072 -0.698 6.123 1.00 . A A . 9 ARG HH12 1 1 11 2358 1 1 9 ARG HH21 H -2.536 -3.755 5.265 1.00 . A A . 9 ARG HH21 1 1 11 2359 1 1 9 ARG HH22 H -3.750 -3.028 6.203 1.00 . A A . 9 ARG HH22 1 1 11 2360 1 1 9 ARG N N -1.127 -1.780 -1.106 1.00 . A A . 9 ARG N 1 1 11 2361 1 1 9 ARG NE N -1.680 -1.625 4.150 1.00 . A A . 9 ARG NE 1 1 11 2362 1 1 9 ARG NH1 N -3.338 -0.650 5.440 1.00 . A A . 9 ARG NH1 1 1 11 2363 1 1 9 ARG NH2 N -3.007 -2.911 5.538 1.00 . A A . 9 ARG NH2 1 1 11 2364 1 1 9 ARG O O 1.998 -2.041 0.515 1.00 . A A . 9 ARG O 1 1 11 2365 1 1 10 ASN C C 2.495 -4.705 -0.745 1.00 . A A . 10 ASN C 1 1 11 2366 1 1 10 ASN CA C 1.314 -4.766 0.220 1.00 . A A . 10 ASN CA 1 1 11 2367 1 1 10 ASN CB C 0.497 -6.046 -0.008 1.00 . A A . 10 ASN CB 1 1 11 2368 1 1 10 ASN CG C 1.313 -7.318 0.113 1.00 . A A . 10 ASN CG 1 1 11 2369 1 1 10 ASN H H -0.524 -3.690 -0.049 1.00 . A A . 10 ASN H 1 1 11 2370 1 1 10 ASN HA H 1.708 -4.773 1.220 1.00 . A A . 10 ASN HA 1 1 11 2371 1 1 10 ASN HB2 H -0.299 -6.088 0.721 1.00 . A A . 10 ASN HB2 1 1 11 2372 1 1 10 ASN HB3 H 0.063 -6.009 -0.996 1.00 . A A . 10 ASN HB3 1 1 11 2373 1 1 10 ASN HD21 H 0.881 -7.433 2.031 1.00 . A A . 10 ASN HD21 1 1 11 2374 1 1 10 ASN HD22 H 1.890 -8.685 1.412 1.00 . A A . 10 ASN HD22 1 1 11 2375 1 1 10 ASN N N 0.446 -3.590 0.089 1.00 . A A . 10 ASN N 1 1 11 2376 1 1 10 ASN ND2 N 1.365 -7.865 1.297 1.00 . A A . 10 ASN ND2 1 1 11 2377 1 1 10 ASN O O 3.585 -5.183 -0.447 1.00 . A A . 10 ASN O 1 1 11 2378 1 1 10 ASN OD1 O 1.879 -7.811 -0.871 1.00 . A A . 10 ASN OD1 1 1 11 2379 1 1 11 LYS C C 4.085 -2.661 -2.641 1.00 . A A . 11 LYS C 1 1 11 2380 1 1 11 LYS CA C 3.273 -3.922 -2.870 1.00 . A A . 11 LYS CA 1 1 11 2381 1 1 11 LYS CB C 2.590 -3.808 -4.224 1.00 . A A . 11 LYS CB 1 1 11 2382 1 1 11 LYS CD C 1.114 -4.816 -6.009 1.00 . A A . 11 LYS CD 1 1 11 2383 1 1 11 LYS CE C 2.083 -4.426 -7.121 1.00 . A A . 11 LYS CE 1 1 11 2384 1 1 11 LYS CG C 1.830 -5.048 -4.677 1.00 . A A . 11 LYS CG 1 1 11 2385 1 1 11 LYS H H 1.413 -3.647 -2.028 1.00 . A A . 11 LYS H 1 1 11 2386 1 1 11 LYS HA H 3.912 -4.792 -2.885 1.00 . A A . 11 LYS HA 1 1 11 2387 1 1 11 LYS HB2 H 1.913 -2.965 -4.198 1.00 . A A . 11 LYS HB2 1 1 11 2388 1 1 11 LYS HB3 H 3.353 -3.575 -4.943 1.00 . A A . 11 LYS HB3 1 1 11 2389 1 1 11 LYS HD2 H 0.609 -5.726 -6.297 1.00 . A A . 11 LYS HD2 1 1 11 2390 1 1 11 LYS HD3 H 0.388 -4.028 -5.881 1.00 . A A . 11 LYS HD3 1 1 11 2391 1 1 11 LYS HE2 H 2.589 -3.514 -6.844 1.00 . A A . 11 LYS HE2 1 1 11 2392 1 1 11 LYS HE3 H 2.808 -5.218 -7.239 1.00 . A A . 11 LYS HE3 1 1 11 2393 1 1 11 LYS HG2 H 2.528 -5.864 -4.793 1.00 . A A . 11 LYS HG2 1 1 11 2394 1 1 11 LYS HG3 H 1.100 -5.302 -3.923 1.00 . A A . 11 LYS HG3 1 1 11 2395 1 1 11 LYS HZ1 H 0.966 -5.084 -8.763 1.00 . A A . 11 LYS HZ1 1 1 11 2396 1 1 11 LYS HZ2 H 2.071 -3.871 -9.118 1.00 . A A . 11 LYS HZ2 1 1 11 2397 1 1 11 LYS HZ3 H 0.644 -3.489 -8.301 1.00 . A A . 11 LYS HZ3 1 1 11 2398 1 1 11 LYS N N 2.281 -4.069 -1.860 1.00 . A A . 11 LYS N 1 1 11 2399 1 1 11 LYS NZ N 1.392 -4.204 -8.406 1.00 . A A . 11 LYS NZ 1 1 11 2400 1 1 11 LYS O O 5.033 -2.389 -3.375 1.00 . A A . 11 LYS O 1 1 11 2401 1 1 12 HIS C C 4.748 -0.319 0.021 1.00 . A A . 12 HIS C 1 1 11 2402 1 1 12 HIS CA C 4.371 -0.592 -1.445 1.00 . A A . 12 HIS CA 1 1 11 2403 1 1 12 HIS CB C 3.468 0.537 -1.985 1.00 . A A . 12 HIS CB 1 1 11 2404 1 1 12 HIS CD2 C 2.083 -0.071 -4.066 1.00 . A A . 12 HIS CD2 1 1 11 2405 1 1 12 HIS CE1 C 3.417 0.591 -5.630 1.00 . A A . 12 HIS CE1 1 1 11 2406 1 1 12 HIS CG C 3.160 0.449 -3.453 1.00 . A A . 12 HIS CG 1 1 11 2407 1 1 12 HIS H H 3.053 -2.191 -0.987 1.00 . A A . 12 HIS H 1 1 11 2408 1 1 12 HIS HA H 5.278 -0.597 -2.031 1.00 . A A . 12 HIS HA 1 1 11 2409 1 1 12 HIS HB2 H 2.523 0.456 -1.469 1.00 . A A . 12 HIS HB2 1 1 11 2410 1 1 12 HIS HB3 H 3.878 1.507 -1.763 1.00 . A A . 12 HIS HB3 1 1 11 2411 1 1 12 HIS HD1 H 4.876 1.306 -4.360 1.00 . A A . 12 HIS HD1 1 1 11 2412 1 1 12 HIS HD2 H 1.241 -0.513 -3.547 1.00 . A A . 12 HIS HD2 1 1 11 2413 1 1 12 HIS HE1 H 3.853 0.779 -6.601 1.00 . A A . 12 HIS HE1 1 1 11 2414 1 1 12 HIS N N 3.732 -1.887 -1.635 1.00 . A A . 12 HIS N 1 1 11 2415 1 1 12 HIS ND1 N 4.000 0.870 -4.461 1.00 . A A . 12 HIS ND1 1 1 11 2416 1 1 12 HIS NE2 N 2.244 0.019 -5.444 1.00 . A A . 12 HIS NE2 1 1 11 2417 1 1 12 HIS O O 4.187 0.586 0.665 1.00 . A A . 12 HIS O 1 1 11 2418 1 1 13 PRO C C 7.106 0.317 2.089 1.00 . A A . 13 PRO C 1 1 11 2419 1 1 13 PRO CA C 6.154 -0.876 1.965 1.00 . A A . 13 PRO CA 1 1 11 2420 1 1 13 PRO CB C 6.870 -2.185 2.297 1.00 . A A . 13 PRO CB 1 1 11 2421 1 1 13 PRO CD C 6.450 -2.195 -0.064 1.00 . A A . 13 PRO CD 1 1 11 2422 1 1 13 PRO CG C 7.413 -2.662 0.996 1.00 . A A . 13 PRO CG 1 1 11 2423 1 1 13 PRO HA H 5.312 -0.728 2.627 1.00 . A A . 13 PRO HA 1 1 11 2424 1 1 13 PRO HB2 H 7.653 -1.994 3.015 1.00 . A A . 13 PRO HB2 1 1 11 2425 1 1 13 PRO HB3 H 6.161 -2.890 2.707 1.00 . A A . 13 PRO HB3 1 1 11 2426 1 1 13 PRO HD2 H 6.986 -1.844 -0.932 1.00 . A A . 13 PRO HD2 1 1 11 2427 1 1 13 PRO HD3 H 5.770 -2.989 -0.338 1.00 . A A . 13 PRO HD3 1 1 11 2428 1 1 13 PRO HG2 H 8.390 -2.233 0.830 1.00 . A A . 13 PRO HG2 1 1 11 2429 1 1 13 PRO HG3 H 7.476 -3.741 0.996 1.00 . A A . 13 PRO HG3 1 1 11 2430 1 1 13 PRO N N 5.715 -1.074 0.583 1.00 . A A . 13 PRO N 1 1 11 2431 1 1 13 PRO O O 7.469 0.732 3.191 1.00 . A A . 13 PRO O 1 1 11 2432 1 1 14 ASP C C 7.740 3.239 1.501 1.00 . A A . 14 ASP C 1 1 11 2433 1 1 14 ASP CA C 8.387 2.017 0.866 1.00 . A A . 14 ASP CA 1 1 11 2434 1 1 14 ASP CB C 8.742 2.320 -0.595 1.00 . A A . 14 ASP CB 1 1 11 2435 1 1 14 ASP CG C 9.641 3.530 -0.763 1.00 . A A . 14 ASP CG 1 1 11 2436 1 1 14 ASP H H 7.188 0.420 0.122 1.00 . A A . 14 ASP H 1 1 11 2437 1 1 14 ASP HA H 9.295 1.781 1.402 1.00 . A A . 14 ASP HA 1 1 11 2438 1 1 14 ASP HB2 H 9.253 1.468 -1.018 1.00 . A A . 14 ASP HB2 1 1 11 2439 1 1 14 ASP HB3 H 7.829 2.492 -1.147 1.00 . A A . 14 ASP HB3 1 1 11 2440 1 1 14 ASP N N 7.498 0.856 0.943 1.00 . A A . 14 ASP N 1 1 11 2441 1 1 14 ASP O O 8.374 3.975 2.259 1.00 . A A . 14 ASP O 1 1 11 2442 1 1 14 ASP OD1 O 10.870 3.402 -0.615 1.00 . A A . 14 ASP OD1 1 1 11 2443 1 1 14 ASP OD2 O 9.140 4.630 -1.072 1.00 . A A . 14 ASP OD2 1 1 11 2444 1 1 15 LEU C C 4.695 4.154 2.730 1.00 . A A . 15 LEU C 1 1 11 2445 1 1 15 LEU CA C 5.768 4.570 1.735 1.00 . A A . 15 LEU CA 1 1 11 2446 1 1 15 LEU CB C 5.196 5.522 0.646 1.00 . A A . 15 LEU CB 1 1 11 2447 1 1 15 LEU CD1 C 3.462 6.121 -1.054 1.00 . A A . 15 LEU CD1 1 1 11 2448 1 1 15 LEU CD2 C 4.807 4.079 -1.404 1.00 . A A . 15 LEU CD2 1 1 11 2449 1 1 15 LEU CG C 4.156 4.970 -0.353 1.00 . A A . 15 LEU CG 1 1 11 2450 1 1 15 LEU H H 6.017 2.808 0.632 1.00 . A A . 15 LEU H 1 1 11 2451 1 1 15 LEU HA H 6.528 5.100 2.282 1.00 . A A . 15 LEU HA 1 1 11 2452 1 1 15 LEU HB2 H 4.740 6.359 1.153 1.00 . A A . 15 LEU HB2 1 1 11 2453 1 1 15 LEU HB3 H 6.033 5.902 0.078 1.00 . A A . 15 LEU HB3 1 1 11 2454 1 1 15 LEU HD11 H 2.961 6.733 -0.320 1.00 . A A . 15 LEU HD11 1 1 11 2455 1 1 15 LEU HD12 H 2.739 5.733 -1.755 1.00 . A A . 15 LEU HD12 1 1 11 2456 1 1 15 LEU HD13 H 4.194 6.717 -1.580 1.00 . A A . 15 LEU HD13 1 1 11 2457 1 1 15 LEU HD21 H 4.052 3.741 -2.099 1.00 . A A . 15 LEU HD21 1 1 11 2458 1 1 15 LEU HD22 H 5.265 3.221 -0.937 1.00 . A A . 15 LEU HD22 1 1 11 2459 1 1 15 LEU HD23 H 5.556 4.643 -1.940 1.00 . A A . 15 LEU HD23 1 1 11 2460 1 1 15 LEU HG H 3.413 4.395 0.179 1.00 . A A . 15 LEU HG 1 1 11 2461 1 1 15 LEU N N 6.478 3.443 1.207 1.00 . A A . 15 LEU N 1 1 11 2462 1 1 15 LEU O O 4.513 4.805 3.758 1.00 . A A . 15 LEU O 1 1 11 2463 1 1 16 CYS C C 3.483 1.436 4.139 1.00 . A A . 16 CYS C 1 1 11 2464 1 1 16 CYS CA C 2.980 2.631 3.330 1.00 . A A . 16 CYS CA 1 1 11 2465 1 1 16 CYS CB C 1.770 2.268 2.517 1.00 . A A . 16 CYS CB 1 1 11 2466 1 1 16 CYS H H 4.086 2.541 1.643 1.00 . A A . 16 CYS H 1 1 11 2467 1 1 16 CYS HA H 2.724 3.438 4.001 1.00 . A A . 16 CYS HA 1 1 11 2468 1 1 16 CYS HB2 H 2.004 1.400 1.918 1.00 . A A . 16 CYS HB2 1 1 11 2469 1 1 16 CYS HB3 H 0.976 2.030 3.196 1.00 . A A . 16 CYS HB3 1 1 11 2470 1 1 16 CYS N N 3.996 3.080 2.455 1.00 . A A . 16 CYS N 1 1 11 2471 1 1 16 CYS O O 3.845 1.574 5.309 1.00 . A A . 16 CYS O 1 1 11 2472 1 1 16 CYS SG S 1.199 3.571 1.390 1.00 . A A . 16 CYS SG 1 1 11 2473 1 1 17 NH2 HN1 H 3.223 0.207 2.594 1.00 . A A . 17 NH2 HN1 1 1 11 2474 1 1 17 NH2 HN2 H 3.844 -0.506 4.033 1.00 . A A . 17 NH2 HN2 1 1 11 2475 1 1 17 NH2 N N 3.520 0.268 3.527 1.00 . A A . 17 NH2 N 1 1 12 2476 1 1 1 GLY C C -4.692 3.890 -3.547 1.00 . A A . 1 GLY C 1 1 12 2477 1 1 1 GLY CA C -5.309 5.209 -3.935 1.00 . A A . 1 GLY CA 1 1 12 2478 1 1 1 GLY H1 H -7.222 4.527 -4.078 1.00 . A A . 1 GLY H1 1 1 12 2479 1 1 1 GLY H2 H -6.345 4.396 -5.510 1.00 . A A . 1 GLY H2 1 1 12 2480 1 1 1 GLY H3 H -6.935 5.915 -5.006 1.00 . A A . 1 GLY H3 1 1 12 2481 1 1 1 GLY HA2 H -4.608 5.757 -4.544 1.00 . A A . 1 GLY HA2 1 1 12 2482 1 1 1 GLY HA3 H -5.532 5.778 -3.045 1.00 . A A . 1 GLY HA3 1 1 12 2483 1 1 1 GLY N N -6.537 5.010 -4.692 1.00 . A A . 1 GLY N 1 1 12 2484 1 1 1 GLY O O -5.339 3.061 -2.902 1.00 . A A . 1 GLY O 1 1 12 2485 1 1 2 CYS C C -2.470 2.218 -2.248 1.00 . A A . 2 CYS C 1 1 12 2486 1 1 2 CYS CA C -2.726 2.454 -3.709 1.00 . A A . 2 CYS CA 1 1 12 2487 1 1 2 CYS CB C -1.396 2.507 -4.410 1.00 . A A . 2 CYS CB 1 1 12 2488 1 1 2 CYS H H -2.992 4.432 -4.402 1.00 . A A . 2 CYS H 1 1 12 2489 1 1 2 CYS HA H -3.296 1.637 -4.123 1.00 . A A . 2 CYS HA 1 1 12 2490 1 1 2 CYS HB2 H -1.534 2.854 -5.417 1.00 . A A . 2 CYS HB2 1 1 12 2491 1 1 2 CYS HB3 H -0.811 3.255 -3.897 1.00 . A A . 2 CYS HB3 1 1 12 2492 1 1 2 CYS N N -3.446 3.700 -3.929 1.00 . A A . 2 CYS N 1 1 12 2493 1 1 2 CYS O O -2.781 1.173 -1.716 1.00 . A A . 2 CYS O 1 1 12 2494 1 1 2 CYS SG S -0.446 0.948 -4.357 1.00 . A A . 2 CYS SG 1 1 12 2495 1 1 3 CYS C C -2.795 2.987 0.710 1.00 . A A . 3 CYS C 1 1 12 2496 1 1 3 CYS CA C -1.553 3.087 -0.197 1.00 . A A . 3 CYS CA 1 1 12 2497 1 1 3 CYS CB C -0.636 4.244 0.232 1.00 . A A . 3 CYS CB 1 1 12 2498 1 1 3 CYS H H -1.768 4.029 -2.115 1.00 . A A . 3 CYS H 1 1 12 2499 1 1 3 CYS HA H -1.009 2.159 -0.103 1.00 . A A . 3 CYS HA 1 1 12 2500 1 1 3 CYS HB2 H 0.105 4.404 -0.537 1.00 . A A . 3 CYS HB2 1 1 12 2501 1 1 3 CYS HB3 H -1.226 5.142 0.344 1.00 . A A . 3 CYS HB3 1 1 12 2502 1 1 3 CYS N N -1.930 3.206 -1.604 1.00 . A A . 3 CYS N 1 1 12 2503 1 1 3 CYS O O -2.708 2.566 1.856 1.00 . A A . 3 CYS O 1 1 12 2504 1 1 3 CYS SG S 0.258 3.958 1.797 1.00 . A A . 3 CYS SG 1 1 12 2505 1 1 4 SER C C -5.818 1.839 0.678 1.00 . A A . 4 SER C 1 1 12 2506 1 1 4 SER CA C -5.196 3.239 0.902 1.00 . A A . 4 SER CA 1 1 12 2507 1 1 4 SER CB C -6.144 4.356 0.418 1.00 . A A . 4 SER CB 1 1 12 2508 1 1 4 SER H H -3.961 3.686 -0.742 1.00 . A A . 4 SER H 1 1 12 2509 1 1 4 SER HA H -4.989 3.376 1.953 1.00 . A A . 4 SER HA 1 1 12 2510 1 1 4 SER HB2 H -5.633 5.304 0.487 1.00 . A A . 4 SER HB2 1 1 12 2511 1 1 4 SER HB3 H -6.406 4.170 -0.613 1.00 . A A . 4 SER HB3 1 1 12 2512 1 1 4 SER HG H -7.857 5.162 0.815 1.00 . A A . 4 SER HG 1 1 12 2513 1 1 4 SER N N -3.951 3.333 0.174 1.00 . A A . 4 SER N 1 1 12 2514 1 1 4 SER O O -6.794 1.442 1.338 1.00 . A A . 4 SER O 1 1 12 2515 1 1 4 SER OG O -7.339 4.437 1.189 1.00 . A A . 4 SER OG 1 1 12 2516 1 1 5 ASP C C -4.666 -1.252 -0.103 1.00 . A A . 5 ASP C 1 1 12 2517 1 1 5 ASP CA C -5.693 -0.235 -0.571 1.00 . A A . 5 ASP CA 1 1 12 2518 1 1 5 ASP CB C -5.897 -0.347 -2.088 1.00 . A A . 5 ASP CB 1 1 12 2519 1 1 5 ASP CG C -6.308 -1.731 -2.529 1.00 . A A . 5 ASP CG 1 1 12 2520 1 1 5 ASP H H -4.429 1.425 -0.689 1.00 . A A . 5 ASP H 1 1 12 2521 1 1 5 ASP HA H -6.635 -0.409 -0.073 1.00 . A A . 5 ASP HA 1 1 12 2522 1 1 5 ASP HB2 H -6.666 0.347 -2.393 1.00 . A A . 5 ASP HB2 1 1 12 2523 1 1 5 ASP HB3 H -4.973 -0.088 -2.583 1.00 . A A . 5 ASP HB3 1 1 12 2524 1 1 5 ASP N N -5.234 1.096 -0.229 1.00 . A A . 5 ASP N 1 1 12 2525 1 1 5 ASP O O -3.570 -1.298 -0.632 1.00 . A A . 5 ASP O 1 1 12 2526 1 1 5 ASP OD1 O -7.504 -2.091 -2.370 1.00 . A A . 5 ASP OD1 1 1 12 2527 1 1 5 ASP OD2 O -5.458 -2.479 -3.051 1.00 . A A . 5 ASP OD2 1 1 12 2528 1 1 6 PRO C C -3.360 -3.980 0.467 1.00 . A A . 6 PRO C 1 1 12 2529 1 1 6 PRO CA C -4.056 -3.038 1.494 1.00 . A A . 6 PRO CA 1 1 12 2530 1 1 6 PRO CB C -4.881 -3.804 2.531 1.00 . A A . 6 PRO CB 1 1 12 2531 1 1 6 PRO CD C -6.287 -2.091 1.620 1.00 . A A . 6 PRO CD 1 1 12 2532 1 1 6 PRO CG C -5.992 -2.876 2.873 1.00 . A A . 6 PRO CG 1 1 12 2533 1 1 6 PRO HA H -3.263 -2.503 1.995 1.00 . A A . 6 PRO HA 1 1 12 2534 1 1 6 PRO HB2 H -5.239 -4.732 2.113 1.00 . A A . 6 PRO HB2 1 1 12 2535 1 1 6 PRO HB3 H -4.267 -4.008 3.395 1.00 . A A . 6 PRO HB3 1 1 12 2536 1 1 6 PRO HD2 H -7.029 -2.599 1.024 1.00 . A A . 6 PRO HD2 1 1 12 2537 1 1 6 PRO HD3 H -6.614 -1.093 1.868 1.00 . A A . 6 PRO HD3 1 1 12 2538 1 1 6 PRO HG2 H -6.861 -3.443 3.176 1.00 . A A . 6 PRO HG2 1 1 12 2539 1 1 6 PRO HG3 H -5.685 -2.211 3.668 1.00 . A A . 6 PRO HG3 1 1 12 2540 1 1 6 PRO N N -4.991 -2.061 0.923 1.00 . A A . 6 PRO N 1 1 12 2541 1 1 6 PRO O O -2.151 -4.133 0.554 1.00 . A A . 6 PRO O 1 1 12 2542 1 1 7 PRO C C -2.361 -4.672 -2.334 1.00 . A A . 7 PRO C 1 1 12 2543 1 1 7 PRO CA C -3.419 -5.452 -1.539 1.00 . A A . 7 PRO CA 1 1 12 2544 1 1 7 PRO CB C -4.561 -5.868 -2.459 1.00 . A A . 7 PRO CB 1 1 12 2545 1 1 7 PRO CD C -5.548 -4.650 -0.685 1.00 . A A . 7 PRO CD 1 1 12 2546 1 1 7 PRO CG C -5.768 -5.798 -1.615 1.00 . A A . 7 PRO CG 1 1 12 2547 1 1 7 PRO HA H -2.958 -6.327 -1.103 1.00 . A A . 7 PRO HA 1 1 12 2548 1 1 7 PRO HB2 H -4.618 -5.178 -3.287 1.00 . A A . 7 PRO HB2 1 1 12 2549 1 1 7 PRO HB3 H -4.389 -6.870 -2.823 1.00 . A A . 7 PRO HB3 1 1 12 2550 1 1 7 PRO HD2 H -5.902 -3.733 -1.132 1.00 . A A . 7 PRO HD2 1 1 12 2551 1 1 7 PRO HD3 H -6.043 -4.827 0.257 1.00 . A A . 7 PRO HD3 1 1 12 2552 1 1 7 PRO HG2 H -6.636 -5.621 -2.232 1.00 . A A . 7 PRO HG2 1 1 12 2553 1 1 7 PRO HG3 H -5.880 -6.717 -1.059 1.00 . A A . 7 PRO HG3 1 1 12 2554 1 1 7 PRO N N -4.077 -4.622 -0.516 1.00 . A A . 7 PRO N 1 1 12 2555 1 1 7 PRO O O -1.259 -5.195 -2.605 1.00 . A A . 7 PRO O 1 1 12 2556 1 1 8 CYS C C -0.616 -2.169 -2.507 1.00 . A A . 8 CYS C 1 1 12 2557 1 1 8 CYS CA C -1.769 -2.579 -3.433 1.00 . A A . 8 CYS CA 1 1 12 2558 1 1 8 CYS CB C -2.502 -1.327 -3.972 1.00 . A A . 8 CYS CB 1 1 12 2559 1 1 8 CYS H H -3.586 -3.090 -2.475 1.00 . A A . 8 CYS H 1 1 12 2560 1 1 8 CYS HA H -1.370 -3.150 -4.259 1.00 . A A . 8 CYS HA 1 1 12 2561 1 1 8 CYS HB2 H -3.463 -1.621 -4.361 1.00 . A A . 8 CYS HB2 1 1 12 2562 1 1 8 CYS HB3 H -2.656 -0.642 -3.151 1.00 . A A . 8 CYS HB3 1 1 12 2563 1 1 8 CYS N N -2.689 -3.434 -2.696 1.00 . A A . 8 CYS N 1 1 12 2564 1 1 8 CYS O O 0.547 -2.324 -2.851 1.00 . A A . 8 CYS O 1 1 12 2565 1 1 8 CYS SG S -1.623 -0.410 -5.308 1.00 . A A . 8 CYS SG 1 1 12 2566 1 1 9 ARG C C 0.989 -2.351 0.049 1.00 . A A . 9 ARG C 1 1 12 2567 1 1 9 ARG CA C -0.012 -1.270 -0.270 1.00 . A A . 9 ARG CA 1 1 12 2568 1 1 9 ARG CB C -0.758 -1.005 1.000 1.00 . A A . 9 ARG CB 1 1 12 2569 1 1 9 ARG CD C -0.593 -0.380 3.421 1.00 . A A . 9 ARG CD 1 1 12 2570 1 1 9 ARG CG C 0.112 -0.424 2.083 1.00 . A A . 9 ARG CG 1 1 12 2571 1 1 9 ARG CZ C -2.839 0.354 4.173 1.00 . A A . 9 ARG CZ 1 1 12 2572 1 1 9 ARG H H -1.927 -1.672 -1.082 1.00 . A A . 9 ARG H 1 1 12 2573 1 1 9 ARG HA H 0.493 -0.364 -0.577 1.00 . A A . 9 ARG HA 1 1 12 2574 1 1 9 ARG HB2 H -1.617 -0.399 0.779 1.00 . A A . 9 ARG HB2 1 1 12 2575 1 1 9 ARG HB3 H -1.126 -1.959 1.348 1.00 . A A . 9 ARG HB3 1 1 12 2576 1 1 9 ARG HD2 H -0.917 -1.378 3.674 1.00 . A A . 9 ARG HD2 1 1 12 2577 1 1 9 ARG HD3 H 0.106 -0.031 4.165 1.00 . A A . 9 ARG HD3 1 1 12 2578 1 1 9 ARG HE H -1.688 1.296 2.830 1.00 . A A . 9 ARG HE 1 1 12 2579 1 1 9 ARG HG2 H 1.003 -1.031 2.149 1.00 . A A . 9 ARG HG2 1 1 12 2580 1 1 9 ARG HG3 H 0.390 0.575 1.777 1.00 . A A . 9 ARG HG3 1 1 12 2581 1 1 9 ARG HH11 H -2.326 -1.479 4.926 1.00 . A A . 9 ARG HH11 1 1 12 2582 1 1 9 ARG HH12 H -3.804 -0.857 5.496 1.00 . A A . 9 ARG HH12 1 1 12 2583 1 1 9 ARG HH21 H -3.653 2.111 3.597 1.00 . A A . 9 ARG HH21 1 1 12 2584 1 1 9 ARG HH22 H -4.603 1.254 4.729 1.00 . A A . 9 ARG HH22 1 1 12 2585 1 1 9 ARG N N -0.967 -1.721 -1.301 1.00 . A A . 9 ARG N 1 1 12 2586 1 1 9 ARG NE N -1.754 0.503 3.415 1.00 . A A . 9 ARG NE 1 1 12 2587 1 1 9 ARG NH1 N -3.000 -0.736 4.910 1.00 . A A . 9 ARG NH1 1 1 12 2588 1 1 9 ARG NH2 N -3.771 1.291 4.168 1.00 . A A . 9 ARG NH2 1 1 12 2589 1 1 9 ARG O O 2.151 -2.093 0.317 1.00 . A A . 9 ARG O 1 1 12 2590 1 1 10 ASN C C 2.478 -4.874 -0.598 1.00 . A A . 10 ASN C 1 1 12 2591 1 1 10 ASN CA C 1.282 -4.750 0.342 1.00 . A A . 10 ASN CA 1 1 12 2592 1 1 10 ASN CB C 0.391 -5.998 0.261 1.00 . A A . 10 ASN CB 1 1 12 2593 1 1 10 ASN CG C 1.121 -7.285 0.573 1.00 . A A . 10 ASN CG 1 1 12 2594 1 1 10 ASN H H -0.482 -3.582 -0.057 1.00 . A A . 10 ASN H 1 1 12 2595 1 1 10 ASN HA H 1.666 -4.662 1.343 1.00 . A A . 10 ASN HA 1 1 12 2596 1 1 10 ASN HB2 H -0.438 -5.901 0.946 1.00 . A A . 10 ASN HB2 1 1 12 2597 1 1 10 ASN HB3 H -0.003 -6.065 -0.742 1.00 . A A . 10 ASN HB3 1 1 12 2598 1 1 10 ASN HD21 H 0.743 -7.065 2.502 1.00 . A A . 10 ASN HD21 1 1 12 2599 1 1 10 ASN HD22 H 1.649 -8.465 2.063 1.00 . A A . 10 ASN HD22 1 1 12 2600 1 1 10 ASN N N 0.494 -3.545 0.072 1.00 . A A . 10 ASN N 1 1 12 2601 1 1 10 ASN ND2 N 1.174 -7.639 1.831 1.00 . A A . 10 ASN ND2 1 1 12 2602 1 1 10 ASN O O 3.517 -5.411 -0.234 1.00 . A A . 10 ASN O 1 1 12 2603 1 1 10 ASN OD1 O 1.635 -7.953 -0.328 1.00 . A A . 10 ASN OD1 1 1 12 2604 1 1 11 LYS C C 4.218 -3.109 -2.677 1.00 . A A . 11 LYS C 1 1 12 2605 1 1 11 LYS CA C 3.369 -4.360 -2.756 1.00 . A A . 11 LYS CA 1 1 12 2606 1 1 11 LYS CB C 2.726 -4.444 -4.128 1.00 . A A . 11 LYS CB 1 1 12 2607 1 1 11 LYS CD C 1.306 -5.760 -5.728 1.00 . A A . 11 LYS CD 1 1 12 2608 1 1 11 LYS CE C 0.718 -7.131 -6.029 1.00 . A A . 11 LYS CE 1 1 12 2609 1 1 11 LYS CG C 1.999 -5.747 -4.381 1.00 . A A . 11 LYS CG 1 1 12 2610 1 1 11 LYS H H 1.516 -3.862 -2.006 1.00 . A A . 11 LYS H 1 1 12 2611 1 1 11 LYS HA H 3.981 -5.237 -2.613 1.00 . A A . 11 LYS HA 1 1 12 2612 1 1 11 LYS HB2 H 2.045 -3.611 -4.246 1.00 . A A . 11 LYS HB2 1 1 12 2613 1 1 11 LYS HB3 H 3.502 -4.319 -4.859 1.00 . A A . 11 LYS HB3 1 1 12 2614 1 1 11 LYS HD2 H 0.509 -5.030 -5.717 1.00 . A A . 11 LYS HD2 1 1 12 2615 1 1 11 LYS HD3 H 2.019 -5.502 -6.496 1.00 . A A . 11 LYS HD3 1 1 12 2616 1 1 11 LYS HE2 H 0.023 -7.396 -5.246 1.00 . A A . 11 LYS HE2 1 1 12 2617 1 1 11 LYS HE3 H 0.188 -7.083 -6.970 1.00 . A A . 11 LYS HE3 1 1 12 2618 1 1 11 LYS HG2 H 2.710 -6.558 -4.345 1.00 . A A . 11 LYS HG2 1 1 12 2619 1 1 11 LYS HG3 H 1.262 -5.879 -3.604 1.00 . A A . 11 LYS HG3 1 1 12 2620 1 1 11 LYS HZ1 H 2.420 -7.966 -6.904 1.00 . A A . 11 LYS HZ1 1 1 12 2621 1 1 11 LYS HZ2 H 1.346 -9.106 -6.322 1.00 . A A . 11 LYS HZ2 1 1 12 2622 1 1 11 LYS HZ3 H 2.332 -8.263 -5.249 1.00 . A A . 11 LYS HZ3 1 1 12 2623 1 1 11 LYS N N 2.341 -4.334 -1.768 1.00 . A A . 11 LYS N 1 1 12 2624 1 1 11 LYS NZ N 1.770 -8.178 -6.120 1.00 . A A . 11 LYS NZ 1 1 12 2625 1 1 11 LYS O O 5.153 -2.943 -3.458 1.00 . A A . 11 LYS O 1 1 12 2626 1 1 12 HIS C C 4.784 -0.522 -0.172 1.00 . A A . 12 HIS C 1 1 12 2627 1 1 12 HIS CA C 4.571 -0.939 -1.636 1.00 . A A . 12 HIS CA 1 1 12 2628 1 1 12 HIS CB C 3.750 0.148 -2.356 1.00 . A A . 12 HIS CB 1 1 12 2629 1 1 12 HIS CD2 C 2.437 -0.665 -4.394 1.00 . A A . 12 HIS CD2 1 1 12 2630 1 1 12 HIS CE1 C 3.876 -0.291 -5.948 1.00 . A A . 12 HIS CE1 1 1 12 2631 1 1 12 HIS CG C 3.509 -0.121 -3.800 1.00 . A A . 12 HIS CG 1 1 12 2632 1 1 12 HIS H H 3.211 -2.445 -1.074 1.00 . A A . 12 HIS H 1 1 12 2633 1 1 12 HIS HA H 5.530 -1.018 -2.124 1.00 . A A . 12 HIS HA 1 1 12 2634 1 1 12 HIS HB2 H 2.782 0.196 -1.880 1.00 . A A . 12 HIS HB2 1 1 12 2635 1 1 12 HIS HB3 H 4.224 1.110 -2.252 1.00 . A A . 12 HIS HB3 1 1 12 2636 1 1 12 HIS HD1 H 5.327 0.473 -4.684 1.00 . A A . 12 HIS HD1 1 1 12 2637 1 1 12 HIS HD2 H 1.551 -0.991 -3.862 1.00 . A A . 12 HIS HD2 1 1 12 2638 1 1 12 HIS HE1 H 4.365 -0.257 -6.909 1.00 . A A . 12 HIS HE1 1 1 12 2639 1 1 12 HIS N N 3.904 -2.230 -1.740 1.00 . A A . 12 HIS N 1 1 12 2640 1 1 12 HIS ND1 N 4.418 0.113 -4.798 1.00 . A A . 12 HIS ND1 1 1 12 2641 1 1 12 HIS NE2 N 2.668 -0.772 -5.758 1.00 . A A . 12 HIS NE2 1 1 12 2642 1 1 12 HIS O O 4.188 0.454 0.300 1.00 . A A . 12 HIS O 1 1 12 2643 1 1 13 PRO C C 6.870 0.304 2.065 1.00 . A A . 13 PRO C 1 1 12 2644 1 1 13 PRO CA C 5.927 -0.896 1.982 1.00 . A A . 13 PRO CA 1 1 12 2645 1 1 13 PRO CB C 6.606 -2.170 2.528 1.00 . A A . 13 PRO CB 1 1 12 2646 1 1 13 PRO CD C 6.414 -2.406 0.161 1.00 . A A . 13 PRO CD 1 1 12 2647 1 1 13 PRO CG C 6.487 -3.182 1.432 1.00 . A A . 13 PRO CG 1 1 12 2648 1 1 13 PRO HA H 5.019 -0.683 2.527 1.00 . A A . 13 PRO HA 1 1 12 2649 1 1 13 PRO HB2 H 7.639 -1.961 2.766 1.00 . A A . 13 PRO HB2 1 1 12 2650 1 1 13 PRO HB3 H 6.089 -2.503 3.415 1.00 . A A . 13 PRO HB3 1 1 12 2651 1 1 13 PRO HD2 H 7.401 -2.131 -0.177 1.00 . A A . 13 PRO HD2 1 1 12 2652 1 1 13 PRO HD3 H 5.883 -2.959 -0.599 1.00 . A A . 13 PRO HD3 1 1 12 2653 1 1 13 PRO HG2 H 7.349 -3.831 1.420 1.00 . A A . 13 PRO HG2 1 1 12 2654 1 1 13 PRO HG3 H 5.579 -3.749 1.567 1.00 . A A . 13 PRO HG3 1 1 12 2655 1 1 13 PRO N N 5.648 -1.231 0.579 1.00 . A A . 13 PRO N 1 1 12 2656 1 1 13 PRO O O 7.121 0.855 3.133 1.00 . A A . 13 PRO O 1 1 12 2657 1 1 14 ASP C C 7.673 3.124 1.212 1.00 . A A . 14 ASP C 1 1 12 2658 1 1 14 ASP CA C 8.264 1.821 0.700 1.00 . A A . 14 ASP CA 1 1 12 2659 1 1 14 ASP CB C 8.580 1.965 -0.794 1.00 . A A . 14 ASP CB 1 1 12 2660 1 1 14 ASP CG C 9.371 3.219 -1.116 1.00 . A A . 14 ASP CG 1 1 12 2661 1 1 14 ASP H H 7.082 0.154 0.127 1.00 . A A . 14 ASP H 1 1 12 2662 1 1 14 ASP HA H 9.188 1.616 1.218 1.00 . A A . 14 ASP HA 1 1 12 2663 1 1 14 ASP HB2 H 9.157 1.112 -1.115 1.00 . A A . 14 ASP HB2 1 1 12 2664 1 1 14 ASP HB3 H 7.653 1.993 -1.348 1.00 . A A . 14 ASP HB3 1 1 12 2665 1 1 14 ASP N N 7.359 0.692 0.897 1.00 . A A . 14 ASP N 1 1 12 2666 1 1 14 ASP O O 8.319 3.862 1.962 1.00 . A A . 14 ASP O 1 1 12 2667 1 1 14 ASP OD1 O 10.614 3.188 -1.037 1.00 . A A . 14 ASP OD1 1 1 12 2668 1 1 14 ASP OD2 O 8.760 4.250 -1.451 1.00 . A A . 14 ASP OD2 1 1 12 2669 1 1 15 LEU C C 4.824 4.444 2.293 1.00 . A A . 15 LEU C 1 1 12 2670 1 1 15 LEU CA C 5.829 4.649 1.182 1.00 . A A . 15 LEU CA 1 1 12 2671 1 1 15 LEU CB C 5.187 5.419 -0.011 1.00 . A A . 15 LEU CB 1 1 12 2672 1 1 15 LEU CD1 C 3.317 5.851 -1.638 1.00 . A A . 15 LEU CD1 1 1 12 2673 1 1 15 LEU CD2 C 4.192 3.548 -1.423 1.00 . A A . 15 LEU CD2 1 1 12 2674 1 1 15 LEU CG C 3.910 4.839 -0.675 1.00 . A A . 15 LEU CG 1 1 12 2675 1 1 15 LEU H H 5.990 2.762 0.245 1.00 . A A . 15 LEU H 1 1 12 2676 1 1 15 LEU HA H 6.651 5.228 1.562 1.00 . A A . 15 LEU HA 1 1 12 2677 1 1 15 LEU HB2 H 4.945 6.412 0.337 1.00 . A A . 15 LEU HB2 1 1 12 2678 1 1 15 LEU HB3 H 5.945 5.516 -0.775 1.00 . A A . 15 LEU HB3 1 1 12 2679 1 1 15 LEU HD11 H 4.031 6.071 -2.417 1.00 . A A . 15 LEU HD11 1 1 12 2680 1 1 15 LEU HD12 H 3.075 6.758 -1.104 1.00 . A A . 15 LEU HD12 1 1 12 2681 1 1 15 LEU HD13 H 2.420 5.443 -2.080 1.00 . A A . 15 LEU HD13 1 1 12 2682 1 1 15 LEU HD21 H 3.297 3.236 -1.940 1.00 . A A . 15 LEU HD21 1 1 12 2683 1 1 15 LEU HD22 H 4.464 2.778 -0.718 1.00 . A A . 15 LEU HD22 1 1 12 2684 1 1 15 LEU HD23 H 4.990 3.696 -2.135 1.00 . A A . 15 LEU HD23 1 1 12 2685 1 1 15 LEU HG H 3.176 4.642 0.092 1.00 . A A . 15 LEU HG 1 1 12 2686 1 1 15 LEU N N 6.456 3.408 0.805 1.00 . A A . 15 LEU N 1 1 12 2687 1 1 15 LEU O O 4.444 5.388 2.990 1.00 . A A . 15 LEU O 1 1 12 2688 1 1 16 CYS C C 4.162 2.122 4.558 1.00 . A A . 16 CYS C 1 1 12 2689 1 1 16 CYS CA C 3.448 2.889 3.448 1.00 . A A . 16 CYS CA 1 1 12 2690 1 1 16 CYS CB C 2.406 2.015 2.808 1.00 . A A . 16 CYS CB 1 1 12 2691 1 1 16 CYS H H 4.634 2.486 1.866 1.00 . A A . 16 CYS H 1 1 12 2692 1 1 16 CYS HA H 2.975 3.781 3.830 1.00 . A A . 16 CYS HA 1 1 12 2693 1 1 16 CYS HB2 H 2.842 1.048 2.599 1.00 . A A . 16 CYS HB2 1 1 12 2694 1 1 16 CYS HB3 H 1.598 1.894 3.504 1.00 . A A . 16 CYS HB3 1 1 12 2695 1 1 16 CYS N N 4.382 3.227 2.449 1.00 . A A . 16 CYS N 1 1 12 2696 1 1 16 CYS O O 4.191 0.890 4.559 1.00 . A A . 16 CYS O 1 1 12 2697 1 1 16 CYS SG S 1.725 2.672 1.245 1.00 . A A . 16 CYS SG 1 1 12 2698 1 1 17 NH2 HN1 H 4.706 3.813 5.418 1.00 . A A . 17 NH2 HN1 1 1 12 2699 1 1 17 NH2 HN2 H 5.258 2.365 6.180 1.00 . A A . 17 NH2 HN2 1 1 12 2700 1 1 17 NH2 N N 4.767 2.837 5.476 1.00 . A A . 17 NH2 N 1 1 13 2701 1 1 1 GLY C C -4.841 4.336 -2.700 1.00 . A A . 1 GLY C 1 1 13 2702 1 1 1 GLY CA C -5.401 5.719 -2.844 1.00 . A A . 1 GLY CA 1 1 13 2703 1 1 1 GLY H1 H -6.782 5.264 -4.301 1.00 . A A . 1 GLY H1 1 1 13 2704 1 1 1 GLY H2 H -7.204 6.616 -3.342 1.00 . A A . 1 GLY H2 1 1 13 2705 1 1 1 GLY H3 H -7.310 5.044 -2.736 1.00 . A A . 1 GLY H3 1 1 13 2706 1 1 1 GLY HA2 H -4.785 6.293 -3.519 1.00 . A A . 1 GLY HA2 1 1 13 2707 1 1 1 GLY HA3 H -5.423 6.194 -1.874 1.00 . A A . 1 GLY HA3 1 1 13 2708 1 1 1 GLY N N -6.759 5.679 -3.347 1.00 . A A . 1 GLY N 1 1 13 2709 1 1 1 GLY O O -5.436 3.509 -2.021 1.00 . A A . 1 GLY O 1 1 13 2710 1 1 2 CYS C C -2.675 2.384 -1.889 1.00 . A A . 2 CYS C 1 1 13 2711 1 1 2 CYS CA C -3.055 2.764 -3.303 1.00 . A A . 2 CYS CA 1 1 13 2712 1 1 2 CYS CB C -1.801 2.826 -4.128 1.00 . A A . 2 CYS CB 1 1 13 2713 1 1 2 CYS H H -3.290 4.802 -3.849 1.00 . A A . 2 CYS H 1 1 13 2714 1 1 2 CYS HA H -3.723 2.029 -3.729 1.00 . A A . 2 CYS HA 1 1 13 2715 1 1 2 CYS HB2 H -2.010 3.378 -5.025 1.00 . A A . 2 CYS HB2 1 1 13 2716 1 1 2 CYS HB3 H -1.102 3.426 -3.563 1.00 . A A . 2 CYS HB3 1 1 13 2717 1 1 2 CYS N N -3.708 4.083 -3.326 1.00 . A A . 2 CYS N 1 1 13 2718 1 1 2 CYS O O -2.833 1.258 -1.462 1.00 . A A . 2 CYS O 1 1 13 2719 1 1 2 CYS SG S -1.002 1.210 -4.468 1.00 . A A . 2 CYS SG 1 1 13 2720 1 1 3 CYS C C -2.985 2.781 1.124 1.00 . A A . 3 CYS C 1 1 13 2721 1 1 3 CYS CA C -1.787 3.106 0.216 1.00 . A A . 3 CYS CA 1 1 13 2722 1 1 3 CYS CB C -1.016 4.298 0.750 1.00 . A A . 3 CYS CB 1 1 13 2723 1 1 3 CYS H H -2.090 4.211 -1.615 1.00 . A A . 3 CYS H 1 1 13 2724 1 1 3 CYS HA H -1.130 2.247 0.208 1.00 . A A . 3 CYS HA 1 1 13 2725 1 1 3 CYS HB2 H -0.174 4.513 0.113 1.00 . A A . 3 CYS HB2 1 1 13 2726 1 1 3 CYS HB3 H -1.676 5.150 0.770 1.00 . A A . 3 CYS HB3 1 1 13 2727 1 1 3 CYS N N -2.199 3.341 -1.163 1.00 . A A . 3 CYS N 1 1 13 2728 1 1 3 CYS O O -2.821 2.269 2.228 1.00 . A A . 3 CYS O 1 1 13 2729 1 1 3 CYS SG S -0.309 4.084 2.414 1.00 . A A . 3 CYS SG 1 1 13 2730 1 1 4 SER C C -5.923 1.396 0.912 1.00 . A A . 4 SER C 1 1 13 2731 1 1 4 SER CA C -5.360 2.750 1.392 1.00 . A A . 4 SER CA 1 1 13 2732 1 1 4 SER CB C -6.387 3.877 1.202 1.00 . A A . 4 SER CB 1 1 13 2733 1 1 4 SER H H -4.271 3.470 -0.232 1.00 . A A . 4 SER H 1 1 13 2734 1 1 4 SER HA H -5.093 2.679 2.436 1.00 . A A . 4 SER HA 1 1 13 2735 1 1 4 SER HB2 H -5.906 4.824 1.389 1.00 . A A . 4 SER HB2 1 1 13 2736 1 1 4 SER HB3 H -6.738 3.866 0.181 1.00 . A A . 4 SER HB3 1 1 13 2737 1 1 4 SER HG H -7.155 3.707 2.985 1.00 . A A . 4 SER HG 1 1 13 2738 1 1 4 SER N N -4.175 3.054 0.651 1.00 . A A . 4 SER N 1 1 13 2739 1 1 4 SER O O -6.840 0.834 1.518 1.00 . A A . 4 SER O 1 1 13 2740 1 1 4 SER OG O -7.499 3.743 2.080 1.00 . A A . 4 SER OG 1 1 13 2741 1 1 5 ASP C C -4.778 -1.472 -0.311 1.00 . A A . 5 ASP C 1 1 13 2742 1 1 5 ASP CA C -5.746 -0.384 -0.737 1.00 . A A . 5 ASP CA 1 1 13 2743 1 1 5 ASP CB C -5.755 -0.255 -2.273 1.00 . A A . 5 ASP CB 1 1 13 2744 1 1 5 ASP CG C -6.031 -1.559 -3.001 1.00 . A A . 5 ASP CG 1 1 13 2745 1 1 5 ASP H H -4.548 1.307 -0.530 1.00 . A A . 5 ASP H 1 1 13 2746 1 1 5 ASP HA H -6.743 -0.613 -0.393 1.00 . A A . 5 ASP HA 1 1 13 2747 1 1 5 ASP HB2 H -6.504 0.463 -2.571 1.00 . A A . 5 ASP HB2 1 1 13 2748 1 1 5 ASP HB3 H -4.790 0.110 -2.590 1.00 . A A . 5 ASP HB3 1 1 13 2749 1 1 5 ASP N N -5.336 0.871 -0.139 1.00 . A A . 5 ASP N 1 1 13 2750 1 1 5 ASP O O -3.648 -1.487 -0.763 1.00 . A A . 5 ASP O 1 1 13 2751 1 1 5 ASP OD1 O -7.217 -1.953 -3.126 1.00 . A A . 5 ASP OD1 1 1 13 2752 1 1 5 ASP OD2 O -5.080 -2.189 -3.508 1.00 . A A . 5 ASP OD2 1 1 13 2753 1 1 6 PRO C C -3.518 -4.240 0.033 1.00 . A A . 6 PRO C 1 1 13 2754 1 1 6 PRO CA C -4.324 -3.453 1.108 1.00 . A A . 6 PRO CA 1 1 13 2755 1 1 6 PRO CB C -5.263 -4.363 1.907 1.00 . A A . 6 PRO CB 1 1 13 2756 1 1 6 PRO CD C -6.536 -2.435 1.204 1.00 . A A . 6 PRO CD 1 1 13 2757 1 1 6 PRO CG C -6.401 -3.477 2.294 1.00 . A A . 6 PRO CG 1 1 13 2758 1 1 6 PRO HA H -3.596 -3.021 1.775 1.00 . A A . 6 PRO HA 1 1 13 2759 1 1 6 PRO HB2 H -5.584 -5.192 1.295 1.00 . A A . 6 PRO HB2 1 1 13 2760 1 1 6 PRO HB3 H -4.745 -4.738 2.776 1.00 . A A . 6 PRO HB3 1 1 13 2761 1 1 6 PRO HD2 H -7.268 -2.744 0.473 1.00 . A A . 6 PRO HD2 1 1 13 2762 1 1 6 PRO HD3 H -6.800 -1.479 1.630 1.00 . A A . 6 PRO HD3 1 1 13 2763 1 1 6 PRO HG2 H -7.309 -4.059 2.368 1.00 . A A . 6 PRO HG2 1 1 13 2764 1 1 6 PRO HG3 H -6.189 -3.004 3.242 1.00 . A A . 6 PRO HG3 1 1 13 2765 1 1 6 PRO N N -5.193 -2.381 0.592 1.00 . A A . 6 PRO N 1 1 13 2766 1 1 6 PRO O O -2.292 -4.367 0.194 1.00 . A A . 6 PRO O 1 1 13 2767 1 1 7 PRO C C -2.218 -4.739 -2.657 1.00 . A A . 7 PRO C 1 1 13 2768 1 1 7 PRO CA C -3.429 -5.495 -2.122 1.00 . A A . 7 PRO CA 1 1 13 2769 1 1 7 PRO CB C -4.458 -5.708 -3.232 1.00 . A A . 7 PRO CB 1 1 13 2770 1 1 7 PRO CD C -5.602 -4.686 -1.431 1.00 . A A . 7 PRO CD 1 1 13 2771 1 1 7 PRO CG C -5.755 -5.693 -2.529 1.00 . A A . 7 PRO CG 1 1 13 2772 1 1 7 PRO HA H -3.100 -6.451 -1.746 1.00 . A A . 7 PRO HA 1 1 13 2773 1 1 7 PRO HB2 H -4.382 -4.908 -3.951 1.00 . A A . 7 PRO HB2 1 1 13 2774 1 1 7 PRO HB3 H -4.284 -6.656 -3.719 1.00 . A A . 7 PRO HB3 1 1 13 2775 1 1 7 PRO HD2 H -5.865 -3.698 -1.780 1.00 . A A . 7 PRO HD2 1 1 13 2776 1 1 7 PRO HD3 H -6.211 -4.959 -0.583 1.00 . A A . 7 PRO HD3 1 1 13 2777 1 1 7 PRO HG2 H -6.545 -5.403 -3.207 1.00 . A A . 7 PRO HG2 1 1 13 2778 1 1 7 PRO HG3 H -5.956 -6.668 -2.112 1.00 . A A . 7 PRO HG3 1 1 13 2779 1 1 7 PRO N N -4.157 -4.757 -1.092 1.00 . A A . 7 PRO N 1 1 13 2780 1 1 7 PRO O O -1.113 -5.301 -2.726 1.00 . A A . 7 PRO O 1 1 13 2781 1 1 8 CYS C C -0.410 -2.119 -2.447 1.00 . A A . 8 CYS C 1 1 13 2782 1 1 8 CYS CA C -1.252 -2.763 -3.542 1.00 . A A . 8 CYS CA 1 1 13 2783 1 1 8 CYS CB C -1.607 -1.763 -4.661 1.00 . A A . 8 CYS CB 1 1 13 2784 1 1 8 CYS H H -3.255 -3.026 -2.902 1.00 . A A . 8 CYS H 1 1 13 2785 1 1 8 CYS HA H -0.634 -3.541 -3.971 1.00 . A A . 8 CYS HA 1 1 13 2786 1 1 8 CYS HB2 H -0.679 -1.471 -5.127 1.00 . A A . 8 CYS HB2 1 1 13 2787 1 1 8 CYS HB3 H -2.218 -2.257 -5.399 1.00 . A A . 8 CYS HB3 1 1 13 2788 1 1 8 CYS N N -2.383 -3.472 -3.006 1.00 . A A . 8 CYS N 1 1 13 2789 1 1 8 CYS O O 0.754 -1.854 -2.651 1.00 . A A . 8 CYS O 1 1 13 2790 1 1 8 CYS SG S -2.442 -0.221 -4.161 1.00 . A A . 8 CYS SG 1 1 13 2791 1 1 9 ARG C C 0.847 -2.276 0.270 1.00 . A A . 9 ARG C 1 1 13 2792 1 1 9 ARG CA C -0.223 -1.312 -0.154 1.00 . A A . 9 ARG CA 1 1 13 2793 1 1 9 ARG CB C -1.150 -1.015 1.018 1.00 . A A . 9 ARG CB 1 1 13 2794 1 1 9 ARG CD C 0.426 -0.660 3.009 1.00 . A A . 9 ARG CD 1 1 13 2795 1 1 9 ARG CG C -0.584 -0.028 2.050 1.00 . A A . 9 ARG CG 1 1 13 2796 1 1 9 ARG CZ C 0.497 -2.662 4.490 1.00 . A A . 9 ARG CZ 1 1 13 2797 1 1 9 ARG H H -1.933 -2.109 -1.129 1.00 . A A . 9 ARG H 1 1 13 2798 1 1 9 ARG HA H 0.241 -0.397 -0.495 1.00 . A A . 9 ARG HA 1 1 13 2799 1 1 9 ARG HB2 H -2.096 -0.698 0.617 1.00 . A A . 9 ARG HB2 1 1 13 2800 1 1 9 ARG HB3 H -1.321 -1.958 1.520 1.00 . A A . 9 ARG HB3 1 1 13 2801 1 1 9 ARG HD2 H 1.223 -1.096 2.423 1.00 . A A . 9 ARG HD2 1 1 13 2802 1 1 9 ARG HD3 H 0.833 0.099 3.659 1.00 . A A . 9 ARG HD3 1 1 13 2803 1 1 9 ARG HE H -1.160 -1.695 3.892 1.00 . A A . 9 ARG HE 1 1 13 2804 1 1 9 ARG HG2 H -0.071 0.731 1.474 1.00 . A A . 9 ARG HG2 1 1 13 2805 1 1 9 ARG HG3 H -1.395 0.423 2.603 1.00 . A A . 9 ARG HG3 1 1 13 2806 1 1 9 ARG HH11 H 2.358 -2.025 3.938 1.00 . A A . 9 ARG HH11 1 1 13 2807 1 1 9 ARG HH12 H 2.325 -3.386 4.970 1.00 . A A . 9 ARG HH12 1 1 13 2808 1 1 9 ARG HH21 H -1.151 -3.531 5.307 1.00 . A A . 9 ARG HH21 1 1 13 2809 1 1 9 ARG HH22 H 0.321 -4.277 5.724 1.00 . A A . 9 ARG HH22 1 1 13 2810 1 1 9 ARG N N -0.978 -1.906 -1.264 1.00 . A A . 9 ARG N 1 1 13 2811 1 1 9 ARG NE N -0.178 -1.721 3.826 1.00 . A A . 9 ARG NE 1 1 13 2812 1 1 9 ARG NH1 N 1.817 -2.694 4.451 1.00 . A A . 9 ARG NH1 1 1 13 2813 1 1 9 ARG NH2 N -0.152 -3.544 5.221 1.00 . A A . 9 ARG NH2 1 1 13 2814 1 1 9 ARG O O 1.959 -1.889 0.601 1.00 . A A . 9 ARG O 1 1 13 2815 1 1 10 ASN C C 2.615 -4.643 -0.439 1.00 . A A . 10 ASN C 1 1 13 2816 1 1 10 ASN CA C 1.446 -4.611 0.573 1.00 . A A . 10 ASN CA 1 1 13 2817 1 1 10 ASN CB C 0.721 -5.972 0.655 1.00 . A A . 10 ASN CB 1 1 13 2818 1 1 10 ASN CG C 1.634 -7.141 1.051 1.00 . A A . 10 ASN CG 1 1 13 2819 1 1 10 ASN H H -0.455 -3.701 0.065 1.00 . A A . 10 ASN H 1 1 13 2820 1 1 10 ASN HA H 1.866 -4.371 1.537 1.00 . A A . 10 ASN HA 1 1 13 2821 1 1 10 ASN HB2 H -0.059 -5.894 1.398 1.00 . A A . 10 ASN HB2 1 1 13 2822 1 1 10 ASN HB3 H 0.269 -6.186 -0.300 1.00 . A A . 10 ASN HB3 1 1 13 2823 1 1 10 ASN HD21 H 1.929 -7.656 -0.850 1.00 . A A . 10 ASN HD21 1 1 13 2824 1 1 10 ASN HD22 H 2.754 -8.605 0.320 1.00 . A A . 10 ASN HD22 1 1 13 2825 1 1 10 ASN N N 0.498 -3.529 0.254 1.00 . A A . 10 ASN N 1 1 13 2826 1 1 10 ASN ND2 N 2.149 -7.871 0.084 1.00 . A A . 10 ASN ND2 1 1 13 2827 1 1 10 ASN O O 3.684 -5.160 -0.155 1.00 . A A . 10 ASN O 1 1 13 2828 1 1 10 ASN OD1 O 1.824 -7.420 2.242 1.00 . A A . 10 ASN OD1 1 1 13 2829 1 1 11 LYS C C 4.232 -2.652 -2.411 1.00 . A A . 11 LYS C 1 1 13 2830 1 1 11 LYS CA C 3.415 -3.907 -2.622 1.00 . A A . 11 LYS CA 1 1 13 2831 1 1 11 LYS CB C 2.742 -3.799 -3.989 1.00 . A A . 11 LYS CB 1 1 13 2832 1 1 11 LYS CD C 3.181 -6.143 -4.732 1.00 . A A . 11 LYS CD 1 1 13 2833 1 1 11 LYS CE C 2.622 -7.368 -5.431 1.00 . A A . 11 LYS CE 1 1 13 2834 1 1 11 LYS CG C 2.121 -5.077 -4.521 1.00 . A A . 11 LYS CG 1 1 13 2835 1 1 11 LYS H H 1.545 -3.607 -1.784 1.00 . A A . 11 LYS H 1 1 13 2836 1 1 11 LYS HA H 4.053 -4.776 -2.617 1.00 . A A . 11 LYS HA 1 1 13 2837 1 1 11 LYS HB2 H 1.989 -3.025 -3.933 1.00 . A A . 11 LYS HB2 1 1 13 2838 1 1 11 LYS HB3 H 3.462 -3.427 -4.692 1.00 . A A . 11 LYS HB3 1 1 13 2839 1 1 11 LYS HD2 H 3.973 -5.720 -5.333 1.00 . A A . 11 LYS HD2 1 1 13 2840 1 1 11 LYS HD3 H 3.584 -6.439 -3.775 1.00 . A A . 11 LYS HD3 1 1 13 2841 1 1 11 LYS HE2 H 2.228 -7.061 -6.387 1.00 . A A . 11 LYS HE2 1 1 13 2842 1 1 11 LYS HE3 H 3.418 -8.082 -5.588 1.00 . A A . 11 LYS HE3 1 1 13 2843 1 1 11 LYS HG2 H 1.390 -5.445 -3.816 1.00 . A A . 11 LYS HG2 1 1 13 2844 1 1 11 LYS HG3 H 1.640 -4.870 -5.464 1.00 . A A . 11 LYS HG3 1 1 13 2845 1 1 11 LYS HZ1 H 1.859 -8.271 -3.714 1.00 . A A . 11 LYS HZ1 1 1 13 2846 1 1 11 LYS HZ2 H 1.202 -8.866 -5.139 1.00 . A A . 11 LYS HZ2 1 1 13 2847 1 1 11 LYS HZ3 H 0.728 -7.366 -4.561 1.00 . A A . 11 LYS HZ3 1 1 13 2848 1 1 11 LYS N N 2.408 -4.026 -1.589 1.00 . A A . 11 LYS N 1 1 13 2849 1 1 11 LYS NZ N 1.540 -8.005 -4.667 1.00 . A A . 11 LYS NZ 1 1 13 2850 1 1 11 LYS O O 5.289 -2.475 -3.016 1.00 . A A . 11 LYS O 1 1 13 2851 1 1 12 HIS C C 4.539 -0.155 0.159 1.00 . A A . 12 HIS C 1 1 13 2852 1 1 12 HIS CA C 4.368 -0.502 -1.342 1.00 . A A . 12 HIS CA 1 1 13 2853 1 1 12 HIS CB C 3.498 0.567 -2.015 1.00 . A A . 12 HIS CB 1 1 13 2854 1 1 12 HIS CD2 C 2.323 0.087 -4.237 1.00 . A A . 12 HIS CD2 1 1 13 2855 1 1 12 HIS CE1 C 3.989 0.281 -5.594 1.00 . A A . 12 HIS CE1 1 1 13 2856 1 1 12 HIS CG C 3.384 0.413 -3.495 1.00 . A A . 12 HIS CG 1 1 13 2857 1 1 12 HIS H H 2.976 -2.034 -0.997 1.00 . A A . 12 HIS H 1 1 13 2858 1 1 12 HIS HA H 5.323 -0.511 -1.843 1.00 . A A . 12 HIS HA 1 1 13 2859 1 1 12 HIS HB2 H 2.501 0.472 -1.611 1.00 . A A . 12 HIS HB2 1 1 13 2860 1 1 12 HIS HB3 H 3.858 1.558 -1.794 1.00 . A A . 12 HIS HB3 1 1 13 2861 1 1 12 HIS HD1 H 5.364 0.766 -4.135 1.00 . A A . 12 HIS HD1 1 1 13 2862 1 1 12 HIS HD2 H 1.345 -0.122 -3.827 1.00 . A A . 12 HIS HD2 1 1 13 2863 1 1 12 HIS HE1 H 4.601 0.251 -6.481 1.00 . A A . 12 HIS HE1 1 1 13 2864 1 1 12 HIS N N 3.753 -1.794 -1.545 1.00 . A A . 12 HIS N 1 1 13 2865 1 1 12 HIS ND1 N 4.436 0.537 -4.368 1.00 . A A . 12 HIS ND1 1 1 13 2866 1 1 12 HIS NE2 N 2.703 0.006 -5.576 1.00 . A A . 12 HIS NE2 1 1 13 2867 1 1 12 HIS O O 4.194 0.968 0.577 1.00 . A A . 12 HIS O 1 1 13 2868 1 1 13 PRO C C 6.415 0.197 2.721 1.00 . A A . 13 PRO C 1 1 13 2869 1 1 13 PRO CA C 5.263 -0.776 2.421 1.00 . A A . 13 PRO CA 1 1 13 2870 1 1 13 PRO CB C 5.524 -2.153 3.040 1.00 . A A . 13 PRO CB 1 1 13 2871 1 1 13 PRO CD C 5.653 -2.404 0.665 1.00 . A A . 13 PRO CD 1 1 13 2872 1 1 13 PRO CG C 6.212 -2.917 1.962 1.00 . A A . 13 PRO CG 1 1 13 2873 1 1 13 PRO HA H 4.338 -0.371 2.798 1.00 . A A . 13 PRO HA 1 1 13 2874 1 1 13 PRO HB2 H 6.149 -2.047 3.915 1.00 . A A . 13 PRO HB2 1 1 13 2875 1 1 13 PRO HB3 H 4.586 -2.612 3.315 1.00 . A A . 13 PRO HB3 1 1 13 2876 1 1 13 PRO HD2 H 6.433 -2.319 -0.075 1.00 . A A . 13 PRO HD2 1 1 13 2877 1 1 13 PRO HD3 H 4.859 -3.043 0.307 1.00 . A A . 13 PRO HD3 1 1 13 2878 1 1 13 PRO HG2 H 7.276 -2.728 1.996 1.00 . A A . 13 PRO HG2 1 1 13 2879 1 1 13 PRO HG3 H 6.010 -3.973 2.060 1.00 . A A . 13 PRO HG3 1 1 13 2880 1 1 13 PRO N N 5.115 -1.057 1.004 1.00 . A A . 13 PRO N 1 1 13 2881 1 1 13 PRO O O 6.412 0.882 3.746 1.00 . A A . 13 PRO O 1 1 13 2882 1 1 14 ASP C C 8.213 2.493 1.383 1.00 . A A . 14 ASP C 1 1 13 2883 1 1 14 ASP CA C 8.512 1.139 1.986 1.00 . A A . 14 ASP CA 1 1 13 2884 1 1 14 ASP CB C 9.769 0.516 1.356 1.00 . A A . 14 ASP CB 1 1 13 2885 1 1 14 ASP CG C 11.012 1.360 1.552 1.00 . A A . 14 ASP CG 1 1 13 2886 1 1 14 ASP H H 7.282 -0.225 0.975 1.00 . A A . 14 ASP H 1 1 13 2887 1 1 14 ASP HA H 8.667 1.255 3.050 1.00 . A A . 14 ASP HA 1 1 13 2888 1 1 14 ASP HB2 H 9.948 -0.443 1.815 1.00 . A A . 14 ASP HB2 1 1 13 2889 1 1 14 ASP HB3 H 9.593 0.387 0.301 1.00 . A A . 14 ASP HB3 1 1 13 2890 1 1 14 ASP N N 7.366 0.283 1.809 1.00 . A A . 14 ASP N 1 1 13 2891 1 1 14 ASP O O 8.829 3.490 1.738 1.00 . A A . 14 ASP O 1 1 13 2892 1 1 14 ASP OD1 O 11.577 1.341 2.669 1.00 . A A . 14 ASP OD1 1 1 13 2893 1 1 14 ASP OD2 O 11.459 2.043 0.596 1.00 . A A . 14 ASP OD2 1 1 13 2894 1 1 15 LEU C C 5.850 4.467 0.727 1.00 . A A . 15 LEU C 1 1 13 2895 1 1 15 LEU CA C 6.818 3.706 -0.149 1.00 . A A . 15 LEU CA 1 1 13 2896 1 1 15 LEU CB C 6.066 3.284 -1.412 1.00 . A A . 15 LEU CB 1 1 13 2897 1 1 15 LEU CD1 C 6.493 5.253 -2.818 1.00 . A A . 15 LEU CD1 1 1 13 2898 1 1 15 LEU CD2 C 4.460 3.901 -3.201 1.00 . A A . 15 LEU CD2 1 1 13 2899 1 1 15 LEU CG C 5.445 4.399 -2.189 1.00 . A A . 15 LEU CG 1 1 13 2900 1 1 15 LEU H H 6.660 1.733 0.355 1.00 . A A . 15 LEU H 1 1 13 2901 1 1 15 LEU HA H 7.718 4.232 -0.438 1.00 . A A . 15 LEU HA 1 1 13 2902 1 1 15 LEU HB2 H 6.722 2.724 -2.063 1.00 . A A . 15 LEU HB2 1 1 13 2903 1 1 15 LEU HB3 H 5.276 2.626 -1.087 1.00 . A A . 15 LEU HB3 1 1 13 2904 1 1 15 LEU HD11 H 7.117 4.586 -3.393 1.00 . A A . 15 LEU HD11 1 1 13 2905 1 1 15 LEU HD12 H 7.063 5.740 -2.042 1.00 . A A . 15 LEU HD12 1 1 13 2906 1 1 15 LEU HD13 H 6.038 5.979 -3.475 1.00 . A A . 15 LEU HD13 1 1 13 2907 1 1 15 LEU HD21 H 4.943 3.161 -3.821 1.00 . A A . 15 LEU HD21 1 1 13 2908 1 1 15 LEU HD22 H 4.142 4.739 -3.807 1.00 . A A . 15 LEU HD22 1 1 13 2909 1 1 15 LEU HD23 H 3.614 3.471 -2.688 1.00 . A A . 15 LEU HD23 1 1 13 2910 1 1 15 LEU HG H 4.906 4.955 -1.439 1.00 . A A . 15 LEU HG 1 1 13 2911 1 1 15 LEU N N 7.195 2.530 0.544 1.00 . A A . 15 LEU N 1 1 13 2912 1 1 15 LEU O O 5.953 5.690 0.913 1.00 . A A . 15 LEU O 1 1 13 2913 1 1 16 CYS C C 3.653 3.317 3.373 1.00 . A A . 16 CYS C 1 1 13 2914 1 1 16 CYS CA C 3.866 4.251 2.173 1.00 . A A . 16 CYS CA 1 1 13 2915 1 1 16 CYS CB C 2.565 4.469 1.461 1.00 . A A . 16 CYS CB 1 1 13 2916 1 1 16 CYS H H 4.852 2.771 1.045 1.00 . A A . 16 CYS H 1 1 13 2917 1 1 16 CYS HA H 4.242 5.180 2.557 1.00 . A A . 16 CYS HA 1 1 13 2918 1 1 16 CYS HB2 H 2.726 5.055 0.564 1.00 . A A . 16 CYS HB2 1 1 13 2919 1 1 16 CYS HB3 H 2.185 3.487 1.186 1.00 . A A . 16 CYS HB3 1 1 13 2920 1 1 16 CYS N N 4.903 3.722 1.272 1.00 . A A . 16 CYS N 1 1 13 2921 1 1 16 CYS O O 3.908 3.685 4.517 1.00 . A A . 16 CYS O 1 1 13 2922 1 1 16 CYS SG S 1.290 5.326 2.467 1.00 . A A . 16 CYS SG 1 1 13 2923 1 1 17 NH2 HN1 H 3.072 1.703 2.258 1.00 . A A . 17 NH2 HN1 1 1 13 2924 1 1 17 NH2 HN2 H 3.037 1.610 3.978 1.00 . A A . 17 NH2 HN2 1 1 13 2925 1 1 17 NH2 N N 3.208 2.093 3.143 1.00 . A A . 17 NH2 N 1 1 14 2926 1 1 1 GLY C C -5.011 4.782 -2.300 1.00 . A A . 1 GLY C 1 1 14 2927 1 1 1 GLY CA C -5.401 6.232 -2.162 1.00 . A A . 1 GLY CA 1 1 14 2928 1 1 1 GLY H1 H -7.370 5.930 -2.619 1.00 . A A . 1 GLY H1 1 1 14 2929 1 1 1 GLY H2 H -6.431 6.369 -3.946 1.00 . A A . 1 GLY H2 1 1 14 2930 1 1 1 GLY H3 H -6.867 7.533 -2.787 1.00 . A A . 1 GLY H3 1 1 14 2931 1 1 1 GLY HA2 H -4.583 6.849 -2.500 1.00 . A A . 1 GLY HA2 1 1 14 2932 1 1 1 GLY HA3 H -5.606 6.447 -1.125 1.00 . A A . 1 GLY HA3 1 1 14 2933 1 1 1 GLY N N -6.593 6.543 -2.935 1.00 . A A . 1 GLY N 1 1 14 2934 1 1 1 GLY O O -5.738 3.891 -1.866 1.00 . A A . 1 GLY O 1 1 14 2935 1 1 2 CYS C C -2.932 2.624 -1.750 1.00 . A A . 2 CYS C 1 1 14 2936 1 1 2 CYS CA C -3.356 3.188 -3.099 1.00 . A A . 2 CYS CA 1 1 14 2937 1 1 2 CYS CB C -2.156 3.272 -4.028 1.00 . A A . 2 CYS CB 1 1 14 2938 1 1 2 CYS H H -3.286 5.290 -3.157 1.00 . A A . 2 CYS H 1 1 14 2939 1 1 2 CYS HA H -4.127 2.573 -3.538 1.00 . A A . 2 CYS HA 1 1 14 2940 1 1 2 CYS HB2 H -2.261 4.174 -4.607 1.00 . A A . 2 CYS HB2 1 1 14 2941 1 1 2 CYS HB3 H -1.282 3.394 -3.406 1.00 . A A . 2 CYS HB3 1 1 14 2942 1 1 2 CYS N N -3.856 4.539 -2.875 1.00 . A A . 2 CYS N 1 1 14 2943 1 1 2 CYS O O -3.044 1.454 -1.476 1.00 . A A . 2 CYS O 1 1 14 2944 1 1 2 CYS SG S -1.873 1.844 -5.159 1.00 . A A . 2 CYS SG 1 1 14 2945 1 1 3 CYS C C -3.356 2.860 1.349 1.00 . A A . 3 CYS C 1 1 14 2946 1 1 3 CYS CA C -2.114 3.148 0.460 1.00 . A A . 3 CYS CA 1 1 14 2947 1 1 3 CYS CB C -1.237 4.264 1.046 1.00 . A A . 3 CYS CB 1 1 14 2948 1 1 3 CYS H H -2.510 4.444 -1.177 1.00 . A A . 3 CYS H 1 1 14 2949 1 1 3 CYS HA H -1.533 2.240 0.380 1.00 . A A . 3 CYS HA 1 1 14 2950 1 1 3 CYS HB2 H -0.448 4.483 0.342 1.00 . A A . 3 CYS HB2 1 1 14 2951 1 1 3 CYS HB3 H -1.836 5.151 1.180 1.00 . A A . 3 CYS HB3 1 1 14 2952 1 1 3 CYS N N -2.532 3.507 -0.881 1.00 . A A . 3 CYS N 1 1 14 2953 1 1 3 CYS O O -3.255 2.512 2.521 1.00 . A A . 3 CYS O 1 1 14 2954 1 1 3 CYS SG S -0.455 3.868 2.644 1.00 . A A . 3 CYS SG 1 1 14 2955 1 1 4 SER C C -6.276 1.375 0.841 1.00 . A A . 4 SER C 1 1 14 2956 1 1 4 SER CA C -5.749 2.681 1.442 1.00 . A A . 4 SER CA 1 1 14 2957 1 1 4 SER CB C -6.752 3.827 1.249 1.00 . A A . 4 SER CB 1 1 14 2958 1 1 4 SER H H -4.555 3.371 -0.134 1.00 . A A . 4 SER H 1 1 14 2959 1 1 4 SER HA H -5.549 2.542 2.494 1.00 . A A . 4 SER HA 1 1 14 2960 1 1 4 SER HB2 H -6.310 4.743 1.614 1.00 . A A . 4 SER HB2 1 1 14 2961 1 1 4 SER HB3 H -6.962 3.929 0.195 1.00 . A A . 4 SER HB3 1 1 14 2962 1 1 4 SER HG H -7.930 2.810 2.467 1.00 . A A . 4 SER HG 1 1 14 2963 1 1 4 SER N N -4.519 3.008 0.778 1.00 . A A . 4 SER N 1 1 14 2964 1 1 4 SER O O -7.352 0.876 1.203 1.00 . A A . 4 SER O 1 1 14 2965 1 1 4 SER OG O -7.978 3.623 1.949 1.00 . A A . 4 SER OG 1 1 14 2966 1 1 5 ASP C C -4.757 -1.414 -0.499 1.00 . A A . 5 ASP C 1 1 14 2967 1 1 5 ASP CA C -5.849 -0.391 -0.744 1.00 . A A . 5 ASP CA 1 1 14 2968 1 1 5 ASP CB C -6.037 -0.132 -2.238 1.00 . A A . 5 ASP CB 1 1 14 2969 1 1 5 ASP CG C -6.327 -1.386 -3.024 1.00 . A A . 5 ASP CG 1 1 14 2970 1 1 5 ASP H H -4.640 1.226 -0.303 1.00 . A A . 5 ASP H 1 1 14 2971 1 1 5 ASP HA H -6.777 -0.754 -0.326 1.00 . A A . 5 ASP HA 1 1 14 2972 1 1 5 ASP HB2 H -6.859 0.553 -2.378 1.00 . A A . 5 ASP HB2 1 1 14 2973 1 1 5 ASP HB3 H -5.135 0.315 -2.627 1.00 . A A . 5 ASP HB3 1 1 14 2974 1 1 5 ASP N N -5.507 0.827 -0.067 1.00 . A A . 5 ASP N 1 1 14 2975 1 1 5 ASP O O -3.669 -1.312 -1.058 1.00 . A A . 5 ASP O 1 1 14 2976 1 1 5 ASP OD1 O -7.381 -2.024 -2.786 1.00 . A A . 5 ASP OD1 1 1 14 2977 1 1 5 ASP OD2 O -5.522 -1.748 -3.899 1.00 . A A . 5 ASP OD2 1 1 14 2978 1 1 6 PRO C C -3.257 -4.078 -0.388 1.00 . A A . 6 PRO C 1 1 14 2979 1 1 6 PRO CA C -4.041 -3.417 0.780 1.00 . A A . 6 PRO CA 1 1 14 2980 1 1 6 PRO CB C -4.854 -4.430 1.588 1.00 . A A . 6 PRO CB 1 1 14 2981 1 1 6 PRO CD C -6.297 -2.570 1.120 1.00 . A A . 6 PRO CD 1 1 14 2982 1 1 6 PRO CG C -5.976 -3.627 2.149 1.00 . A A . 6 PRO CG 1 1 14 2983 1 1 6 PRO HA H -3.296 -2.973 1.422 1.00 . A A . 6 PRO HA 1 1 14 2984 1 1 6 PRO HB2 H -5.202 -5.226 0.948 1.00 . A A . 6 PRO HB2 1 1 14 2985 1 1 6 PRO HB3 H -4.239 -4.841 2.375 1.00 . A A . 6 PRO HB3 1 1 14 2986 1 1 6 PRO HD2 H -7.072 -2.915 0.452 1.00 . A A . 6 PRO HD2 1 1 14 2987 1 1 6 PRO HD3 H -6.595 -1.653 1.607 1.00 . A A . 6 PRO HD3 1 1 14 2988 1 1 6 PRO HG2 H -6.834 -4.260 2.320 1.00 . A A . 6 PRO HG2 1 1 14 2989 1 1 6 PRO HG3 H -5.663 -3.166 3.073 1.00 . A A . 6 PRO HG3 1 1 14 2990 1 1 6 PRO N N -5.018 -2.389 0.394 1.00 . A A . 6 PRO N 1 1 14 2991 1 1 6 PRO O O -2.039 -4.176 -0.277 1.00 . A A . 6 PRO O 1 1 14 2992 1 1 7 PRO C C -1.988 -4.289 -3.135 1.00 . A A . 7 PRO C 1 1 14 2993 1 1 7 PRO CA C -3.187 -5.127 -2.656 1.00 . A A . 7 PRO CA 1 1 14 2994 1 1 7 PRO CB C -4.252 -5.203 -3.747 1.00 . A A . 7 PRO CB 1 1 14 2995 1 1 7 PRO CD C -5.374 -4.553 -1.766 1.00 . A A . 7 PRO CD 1 1 14 2996 1 1 7 PRO CG C -5.512 -5.392 -2.996 1.00 . A A . 7 PRO CG 1 1 14 2997 1 1 7 PRO HA H -2.848 -6.124 -2.415 1.00 . A A . 7 PRO HA 1 1 14 2998 1 1 7 PRO HB2 H -4.253 -4.284 -4.313 1.00 . A A . 7 PRO HB2 1 1 14 2999 1 1 7 PRO HB3 H -4.053 -6.040 -4.401 1.00 . A A . 7 PRO HB3 1 1 14 3000 1 1 7 PRO HD2 H -5.749 -3.557 -1.945 1.00 . A A . 7 PRO HD2 1 1 14 3001 1 1 7 PRO HD3 H -5.897 -5.011 -0.940 1.00 . A A . 7 PRO HD3 1 1 14 3002 1 1 7 PRO HG2 H -6.351 -5.053 -3.585 1.00 . A A . 7 PRO HG2 1 1 14 3003 1 1 7 PRO HG3 H -5.631 -6.431 -2.729 1.00 . A A . 7 PRO HG3 1 1 14 3004 1 1 7 PRO N N -3.908 -4.531 -1.518 1.00 . A A . 7 PRO N 1 1 14 3005 1 1 7 PRO O O -0.877 -4.808 -3.268 1.00 . A A . 7 PRO O 1 1 14 3006 1 1 8 CYS C C -0.358 -1.454 -2.722 1.00 . A A . 8 CYS C 1 1 14 3007 1 1 8 CYS CA C -1.101 -2.169 -3.849 1.00 . A A . 8 CYS CA 1 1 14 3008 1 1 8 CYS CB C -1.598 -1.157 -4.891 1.00 . A A . 8 CYS CB 1 1 14 3009 1 1 8 CYS H H -3.058 -2.579 -3.144 1.00 . A A . 8 CYS H 1 1 14 3010 1 1 8 CYS HA H -0.403 -2.840 -4.327 1.00 . A A . 8 CYS HA 1 1 14 3011 1 1 8 CYS HB2 H -0.746 -0.704 -5.375 1.00 . A A . 8 CYS HB2 1 1 14 3012 1 1 8 CYS HB3 H -2.182 -1.684 -5.631 1.00 . A A . 8 CYS HB3 1 1 14 3013 1 1 8 CYS N N -2.186 -2.994 -3.337 1.00 . A A . 8 CYS N 1 1 14 3014 1 1 8 CYS O O 0.462 -0.566 -2.965 1.00 . A A . 8 CYS O 1 1 14 3015 1 1 8 CYS SG S -2.627 0.196 -4.233 1.00 . A A . 8 CYS SG 1 1 14 3016 1 1 9 ARG C C 0.975 -2.218 0.284 1.00 . A A . 9 ARG C 1 1 14 3017 1 1 9 ARG CA C 0.064 -1.231 -0.381 1.00 . A A . 9 ARG CA 1 1 14 3018 1 1 9 ARG CB C -0.921 -0.786 0.646 1.00 . A A . 9 ARG CB 1 1 14 3019 1 1 9 ARG CD C -1.218 0.244 2.889 1.00 . A A . 9 ARG CD 1 1 14 3020 1 1 9 ARG CG C -0.269 0.002 1.744 1.00 . A A . 9 ARG CG 1 1 14 3021 1 1 9 ARG CZ C -1.217 1.404 5.088 1.00 . A A . 9 ARG CZ 1 1 14 3022 1 1 9 ARG H H -1.283 -2.548 -1.349 1.00 . A A . 9 ARG H 1 1 14 3023 1 1 9 ARG HA H 0.633 -0.376 -0.720 1.00 . A A . 9 ARG HA 1 1 14 3024 1 1 9 ARG HB2 H -1.717 -0.248 0.163 1.00 . A A . 9 ARG HB2 1 1 14 3025 1 1 9 ARG HB3 H -1.350 -1.675 1.085 1.00 . A A . 9 ARG HB3 1 1 14 3026 1 1 9 ARG HD2 H -2.036 0.854 2.534 1.00 . A A . 9 ARG HD2 1 1 14 3027 1 1 9 ARG HD3 H -1.604 -0.705 3.231 1.00 . A A . 9 ARG HD3 1 1 14 3028 1 1 9 ARG HE H 0.405 1.015 3.935 1.00 . A A . 9 ARG HE 1 1 14 3029 1 1 9 ARG HG2 H 0.601 -0.554 2.062 1.00 . A A . 9 ARG HG2 1 1 14 3030 1 1 9 ARG HG3 H 0.057 0.938 1.316 1.00 . A A . 9 ARG HG3 1 1 14 3031 1 1 9 ARG HH11 H -3.098 0.929 4.432 1.00 . A A . 9 ARG HH11 1 1 14 3032 1 1 9 ARG HH12 H -3.041 1.660 5.973 1.00 . A A . 9 ARG HH12 1 1 14 3033 1 1 9 ARG HH21 H 0.465 2.075 6.021 1.00 . A A . 9 ARG HH21 1 1 14 3034 1 1 9 ARG HH22 H -0.963 2.350 6.895 1.00 . A A . 9 ARG HH22 1 1 14 3035 1 1 9 ARG N N -0.611 -1.848 -1.500 1.00 . A A . 9 ARG N 1 1 14 3036 1 1 9 ARG NE N -0.575 0.929 4.011 1.00 . A A . 9 ARG NE 1 1 14 3037 1 1 9 ARG NH1 N -2.544 1.328 5.168 1.00 . A A . 9 ARG NH1 1 1 14 3038 1 1 9 ARG NH2 N -0.535 1.979 6.065 1.00 . A A . 9 ARG NH2 1 1 14 3039 1 1 9 ARG O O 2.122 -1.933 0.555 1.00 . A A . 9 ARG O 1 1 14 3040 1 1 10 ASN C C 2.401 -4.896 0.521 1.00 . A A . 10 ASN C 1 1 14 3041 1 1 10 ASN CA C 1.142 -4.459 1.257 1.00 . A A . 10 ASN CA 1 1 14 3042 1 1 10 ASN CB C 0.208 -5.653 1.520 1.00 . A A . 10 ASN CB 1 1 14 3043 1 1 10 ASN CG C 0.873 -6.761 2.316 1.00 . A A . 10 ASN CG 1 1 14 3044 1 1 10 ASN H H -0.504 -3.488 0.265 1.00 . A A . 10 ASN H 1 1 14 3045 1 1 10 ASN HA H 1.450 -4.048 2.204 1.00 . A A . 10 ASN HA 1 1 14 3046 1 1 10 ASN HB2 H -0.657 -5.311 2.070 1.00 . A A . 10 ASN HB2 1 1 14 3047 1 1 10 ASN HB3 H -0.116 -6.059 0.572 1.00 . A A . 10 ASN HB3 1 1 14 3048 1 1 10 ASN HD21 H 1.334 -7.767 0.664 1.00 . A A . 10 ASN HD21 1 1 14 3049 1 1 10 ASN HD22 H 1.837 -8.467 2.145 1.00 . A A . 10 ASN HD22 1 1 14 3050 1 1 10 ASN N N 0.434 -3.379 0.546 1.00 . A A . 10 ASN N 1 1 14 3051 1 1 10 ASN ND2 N 1.390 -7.752 1.644 1.00 . A A . 10 ASN ND2 1 1 14 3052 1 1 10 ASN O O 3.367 -5.359 1.120 1.00 . A A . 10 ASN O 1 1 14 3053 1 1 10 ASN OD1 O 0.880 -6.735 3.550 1.00 . A A . 10 ASN OD1 1 1 14 3054 1 1 11 LYS C C 4.458 -3.837 -1.698 1.00 . A A . 11 LYS C 1 1 14 3055 1 1 11 LYS CA C 3.532 -5.027 -1.578 1.00 . A A . 11 LYS CA 1 1 14 3056 1 1 11 LYS CB C 3.079 -5.453 -2.956 1.00 . A A . 11 LYS CB 1 1 14 3057 1 1 11 LYS CD C 2.253 -7.268 -4.449 1.00 . A A . 11 LYS CD 1 1 14 3058 1 1 11 LYS CE C 1.990 -8.757 -4.559 1.00 . A A . 11 LYS CE 1 1 14 3059 1 1 11 LYS CG C 2.576 -6.871 -3.026 1.00 . A A . 11 LYS CG 1 1 14 3060 1 1 11 LYS H H 1.600 -4.358 -1.205 1.00 . A A . 11 LYS H 1 1 14 3061 1 1 11 LYS HA H 4.063 -5.851 -1.125 1.00 . A A . 11 LYS HA 1 1 14 3062 1 1 11 LYS HB2 H 2.284 -4.787 -3.262 1.00 . A A . 11 LYS HB2 1 1 14 3063 1 1 11 LYS HB3 H 3.894 -5.316 -3.642 1.00 . A A . 11 LYS HB3 1 1 14 3064 1 1 11 LYS HD2 H 1.375 -6.729 -4.775 1.00 . A A . 11 LYS HD2 1 1 14 3065 1 1 11 LYS HD3 H 3.091 -7.011 -5.081 1.00 . A A . 11 LYS HD3 1 1 14 3066 1 1 11 LYS HE2 H 1.771 -8.993 -5.589 1.00 . A A . 11 LYS HE2 1 1 14 3067 1 1 11 LYS HE3 H 2.878 -9.290 -4.255 1.00 . A A . 11 LYS HE3 1 1 14 3068 1 1 11 LYS HG2 H 3.333 -7.533 -2.636 1.00 . A A . 11 LYS HG2 1 1 14 3069 1 1 11 LYS HG3 H 1.682 -6.955 -2.426 1.00 . A A . 11 LYS HG3 1 1 14 3070 1 1 11 LYS HZ1 H 1.003 -8.979 -2.719 1.00 . A A . 11 LYS HZ1 1 1 14 3071 1 1 11 LYS HZ2 H 0.723 -10.222 -3.818 1.00 . A A . 11 LYS HZ2 1 1 14 3072 1 1 11 LYS HZ3 H -0.025 -8.741 -4.034 1.00 . A A . 11 LYS HZ3 1 1 14 3073 1 1 11 LYS N N 2.397 -4.717 -0.767 1.00 . A A . 11 LYS N 1 1 14 3074 1 1 11 LYS NZ N 0.855 -9.196 -3.725 1.00 . A A . 11 LYS NZ 1 1 14 3075 1 1 11 LYS O O 5.544 -3.936 -2.250 1.00 . A A . 11 LYS O 1 1 14 3076 1 1 12 HIS C C 4.943 -0.712 -0.009 1.00 . A A . 12 HIS C 1 1 14 3077 1 1 12 HIS CA C 4.784 -1.489 -1.325 1.00 . A A . 12 HIS CA 1 1 14 3078 1 1 12 HIS CB C 4.055 -0.620 -2.356 1.00 . A A . 12 HIS CB 1 1 14 3079 1 1 12 HIS CD2 C 2.800 -1.852 -4.214 1.00 . A A . 12 HIS CD2 1 1 14 3080 1 1 12 HIS CE1 C 4.392 -2.109 -5.654 1.00 . A A . 12 HIS CE1 1 1 14 3081 1 1 12 HIS CG C 3.888 -1.275 -3.689 1.00 . A A . 12 HIS CG 1 1 14 3082 1 1 12 HIS H H 3.260 -2.708 -0.564 1.00 . A A . 12 HIS H 1 1 14 3083 1 1 12 HIS HA H 5.760 -1.727 -1.720 1.00 . A A . 12 HIS HA 1 1 14 3084 1 1 12 HIS HB2 H 3.064 -0.425 -1.973 1.00 . A A . 12 HIS HB2 1 1 14 3085 1 1 12 HIS HB3 H 4.558 0.324 -2.483 1.00 . A A . 12 HIS HB3 1 1 14 3086 1 1 12 HIS HD1 H 5.835 -1.171 -4.518 1.00 . A A . 12 HIS HD1 1 1 14 3087 1 1 12 HIS HD2 H 1.848 -1.894 -3.698 1.00 . A A . 12 HIS HD2 1 1 14 3088 1 1 12 HIS HE1 H 4.956 -2.403 -6.527 1.00 . A A . 12 HIS HE1 1 1 14 3089 1 1 12 HIS N N 4.053 -2.722 -1.148 1.00 . A A . 12 HIS N 1 1 14 3090 1 1 12 HIS ND1 N 4.896 -1.445 -4.612 1.00 . A A . 12 HIS ND1 1 1 14 3091 1 1 12 HIS NE2 N 3.113 -2.380 -5.462 1.00 . A A . 12 HIS NE2 1 1 14 3092 1 1 12 HIS O O 4.625 0.487 0.054 1.00 . A A . 12 HIS O 1 1 14 3093 1 1 13 PRO C C 6.936 0.286 2.274 1.00 . A A . 13 PRO C 1 1 14 3094 1 1 13 PRO CA C 5.717 -0.645 2.335 1.00 . A A . 13 PRO CA 1 1 14 3095 1 1 13 PRO CB C 5.960 -1.803 3.300 1.00 . A A . 13 PRO CB 1 1 14 3096 1 1 13 PRO CD C 6.103 -2.705 1.088 1.00 . A A . 13 PRO CD 1 1 14 3097 1 1 13 PRO CG C 6.662 -2.827 2.479 1.00 . A A . 13 PRO CG 1 1 14 3098 1 1 13 PRO HA H 4.839 -0.084 2.619 1.00 . A A . 13 PRO HA 1 1 14 3099 1 1 13 PRO HB2 H 6.567 -1.467 4.128 1.00 . A A . 13 PRO HB2 1 1 14 3100 1 1 13 PRO HB3 H 5.016 -2.179 3.664 1.00 . A A . 13 PRO HB3 1 1 14 3101 1 1 13 PRO HD2 H 6.886 -2.816 0.353 1.00 . A A . 13 PRO HD2 1 1 14 3102 1 1 13 PRO HD3 H 5.328 -3.439 0.924 1.00 . A A . 13 PRO HD3 1 1 14 3103 1 1 13 PRO HG2 H 7.724 -2.627 2.474 1.00 . A A . 13 PRO HG2 1 1 14 3104 1 1 13 PRO HG3 H 6.469 -3.814 2.875 1.00 . A A . 13 PRO HG3 1 1 14 3105 1 1 13 PRO N N 5.535 -1.327 1.051 1.00 . A A . 13 PRO N 1 1 14 3106 1 1 13 PRO O O 7.382 0.828 3.273 1.00 . A A . 13 PRO O 1 1 14 3107 1 1 14 ASP C C 8.186 2.739 0.766 1.00 . A A . 14 ASP C 1 1 14 3108 1 1 14 ASP CA C 8.589 1.281 0.780 1.00 . A A . 14 ASP CA 1 1 14 3109 1 1 14 ASP CB C 9.188 0.899 -0.573 1.00 . A A . 14 ASP CB 1 1 14 3110 1 1 14 ASP CG C 10.290 1.828 -1.018 1.00 . A A . 14 ASP CG 1 1 14 3111 1 1 14 ASP H H 7.020 -0.072 0.355 1.00 . A A . 14 ASP H 1 1 14 3112 1 1 14 ASP HA H 9.336 1.124 1.543 1.00 . A A . 14 ASP HA 1 1 14 3113 1 1 14 ASP HB2 H 9.605 -0.094 -0.502 1.00 . A A . 14 ASP HB2 1 1 14 3114 1 1 14 ASP HB3 H 8.408 0.906 -1.319 1.00 . A A . 14 ASP HB3 1 1 14 3115 1 1 14 ASP N N 7.452 0.438 1.071 1.00 . A A . 14 ASP N 1 1 14 3116 1 1 14 ASP O O 8.925 3.598 1.241 1.00 . A A . 14 ASP O 1 1 14 3117 1 1 14 ASP OD1 O 11.419 1.725 -0.514 1.00 . A A . 14 ASP OD1 1 1 14 3118 1 1 14 ASP OD2 O 10.055 2.667 -1.903 1.00 . A A . 14 ASP OD2 1 1 14 3119 1 1 15 LEU C C 5.484 4.687 1.187 1.00 . A A . 15 LEU C 1 1 14 3120 1 1 15 LEU CA C 6.552 4.376 0.157 1.00 . A A . 15 LEU CA 1 1 14 3121 1 1 15 LEU CB C 6.111 4.822 -1.267 1.00 . A A . 15 LEU CB 1 1 14 3122 1 1 15 LEU CD1 C 4.406 4.906 -3.101 1.00 . A A . 15 LEU CD1 1 1 14 3123 1 1 15 LEU CD2 C 5.463 2.743 -2.549 1.00 . A A . 15 LEU CD2 1 1 14 3124 1 1 15 LEU CG C 4.965 4.059 -1.967 1.00 . A A . 15 LEU CG 1 1 14 3125 1 1 15 LEU H H 6.440 2.297 -0.082 1.00 . A A . 15 LEU H 1 1 14 3126 1 1 15 LEU HA H 7.429 4.937 0.426 1.00 . A A . 15 LEU HA 1 1 14 3127 1 1 15 LEU HB2 H 5.811 5.856 -1.203 1.00 . A A . 15 LEU HB2 1 1 14 3128 1 1 15 LEU HB3 H 6.981 4.772 -1.903 1.00 . A A . 15 LEU HB3 1 1 14 3129 1 1 15 LEU HD11 H 4.018 5.832 -2.702 1.00 . A A . 15 LEU HD11 1 1 14 3130 1 1 15 LEU HD12 H 3.613 4.367 -3.595 1.00 . A A . 15 LEU HD12 1 1 14 3131 1 1 15 LEU HD13 H 5.191 5.121 -3.810 1.00 . A A . 15 LEU HD13 1 1 14 3132 1 1 15 LEU HD21 H 5.809 2.093 -1.760 1.00 . A A . 15 LEU HD21 1 1 14 3133 1 1 15 LEU HD22 H 6.277 2.942 -3.230 1.00 . A A . 15 LEU HD22 1 1 14 3134 1 1 15 LEU HD23 H 4.655 2.269 -3.087 1.00 . A A . 15 LEU HD23 1 1 14 3135 1 1 15 LEU HG H 4.175 3.853 -1.262 1.00 . A A . 15 LEU HG 1 1 14 3136 1 1 15 LEU N N 7.009 3.019 0.239 1.00 . A A . 15 LEU N 1 1 14 3137 1 1 15 LEU O O 5.476 5.771 1.758 1.00 . A A . 15 LEU O 1 1 14 3138 1 1 16 CYS C C 3.160 2.658 3.036 1.00 . A A . 16 CYS C 1 1 14 3139 1 1 16 CYS CA C 3.544 3.979 2.392 1.00 . A A . 16 CYS CA 1 1 14 3140 1 1 16 CYS CB C 2.334 4.638 1.705 1.00 . A A . 16 CYS CB 1 1 14 3141 1 1 16 CYS H H 4.609 2.887 0.975 1.00 . A A . 16 CYS H 1 1 14 3142 1 1 16 CYS HA H 3.925 4.645 3.153 1.00 . A A . 16 CYS HA 1 1 14 3143 1 1 16 CYS HB2 H 2.678 5.485 1.131 1.00 . A A . 16 CYS HB2 1 1 14 3144 1 1 16 CYS HB3 H 1.893 3.917 1.034 1.00 . A A . 16 CYS HB3 1 1 14 3145 1 1 16 CYS N N 4.593 3.754 1.432 1.00 . A A . 16 CYS N 1 1 14 3146 1 1 16 CYS O O 2.335 1.912 2.512 1.00 . A A . 16 CYS O 1 1 14 3147 1 1 16 CYS SG S 1.027 5.229 2.840 1.00 . A A . 16 CYS SG 1 1 14 3148 1 1 17 NH2 HN1 H 4.443 2.986 4.498 1.00 . A A . 17 NH2 HN1 1 1 14 3149 1 1 17 NH2 HN2 H 3.594 1.481 4.559 1.00 . A A . 17 NH2 HN2 1 1 14 3150 1 1 17 NH2 N N 3.796 2.343 4.136 1.00 . A A . 17 NH2 N 1 1 15 3151 1 1 1 GLY C C -4.244 4.542 -2.452 1.00 . A A . 1 GLY C 1 1 15 3152 1 1 1 GLY CA C -4.706 5.966 -2.507 1.00 . A A . 1 GLY CA 1 1 15 3153 1 1 1 GLY H1 H -5.951 7.162 -3.617 1.00 . A A . 1 GLY H1 1 1 15 3154 1 1 1 GLY H2 H -6.413 5.521 -3.545 1.00 . A A . 1 GLY H2 1 1 15 3155 1 1 1 GLY H3 H -5.116 5.990 -4.513 1.00 . A A . 1 GLY H3 1 1 15 3156 1 1 1 GLY HA2 H -3.848 6.612 -2.607 1.00 . A A . 1 GLY HA2 1 1 15 3157 1 1 1 GLY HA3 H -5.221 6.205 -1.588 1.00 . A A . 1 GLY HA3 1 1 15 3158 1 1 1 GLY N N -5.613 6.180 -3.620 1.00 . A A . 1 GLY N 1 1 15 3159 1 1 1 GLY O O -5.028 3.656 -2.124 1.00 . A A . 1 GLY O 1 1 15 3160 1 1 2 CYS C C -2.291 2.480 -1.373 1.00 . A A . 2 CYS C 1 1 15 3161 1 1 2 CYS CA C -2.416 2.970 -2.780 1.00 . A A . 2 CYS CA 1 1 15 3162 1 1 2 CYS CB C -1.042 2.993 -3.411 1.00 . A A . 2 CYS CB 1 1 15 3163 1 1 2 CYS H H -2.405 5.074 -2.994 1.00 . A A . 2 CYS H 1 1 15 3164 1 1 2 CYS HA H -3.063 2.318 -3.346 1.00 . A A . 2 CYS HA 1 1 15 3165 1 1 2 CYS HB2 H -1.065 3.650 -4.260 1.00 . A A . 2 CYS HB2 1 1 15 3166 1 1 2 CYS HB3 H -0.378 3.445 -2.688 1.00 . A A . 2 CYS HB3 1 1 15 3167 1 1 2 CYS N N -2.981 4.313 -2.761 1.00 . A A . 2 CYS N 1 1 15 3168 1 1 2 CYS O O -2.555 1.341 -1.069 1.00 . A A . 2 CYS O 1 1 15 3169 1 1 2 CYS SG S -0.343 1.341 -3.832 1.00 . A A . 2 CYS SG 1 1 15 3170 1 1 3 CYS C C -3.170 2.668 1.507 1.00 . A A . 3 CYS C 1 1 15 3171 1 1 3 CYS CA C -1.793 3.019 0.900 1.00 . A A . 3 CYS CA 1 1 15 3172 1 1 3 CYS CB C -1.101 4.122 1.693 1.00 . A A . 3 CYS CB 1 1 15 3173 1 1 3 CYS H H -1.712 4.261 -0.860 1.00 . A A . 3 CYS H 1 1 15 3174 1 1 3 CYS HA H -1.177 2.133 0.913 1.00 . A A . 3 CYS HA 1 1 15 3175 1 1 3 CYS HB2 H -0.186 4.400 1.193 1.00 . A A . 3 CYS HB2 1 1 15 3176 1 1 3 CYS HB3 H -1.753 4.981 1.737 1.00 . A A . 3 CYS HB3 1 1 15 3177 1 1 3 CYS N N -1.923 3.367 -0.503 1.00 . A A . 3 CYS N 1 1 15 3178 1 1 3 CYS O O -3.267 1.938 2.503 1.00 . A A . 3 CYS O 1 1 15 3179 1 1 3 CYS SG S -0.682 3.662 3.410 1.00 . A A . 3 CYS SG 1 1 15 3180 1 1 4 SER C C -6.093 1.614 0.571 1.00 . A A . 4 SER C 1 1 15 3181 1 1 4 SER CA C -5.576 2.880 1.274 1.00 . A A . 4 SER CA 1 1 15 3182 1 1 4 SER CB C -6.430 4.063 0.871 1.00 . A A . 4 SER CB 1 1 15 3183 1 1 4 SER H H -4.119 3.754 0.104 1.00 . A A . 4 SER H 1 1 15 3184 1 1 4 SER HA H -5.620 2.765 2.347 1.00 . A A . 4 SER HA 1 1 15 3185 1 1 4 SER HB2 H -6.503 4.100 -0.206 1.00 . A A . 4 SER HB2 1 1 15 3186 1 1 4 SER HB3 H -7.411 3.946 1.298 1.00 . A A . 4 SER HB3 1 1 15 3187 1 1 4 SER HG H -6.421 5.995 1.021 1.00 . A A . 4 SER HG 1 1 15 3188 1 1 4 SER N N -4.224 3.155 0.872 1.00 . A A . 4 SER N 1 1 15 3189 1 1 4 SER O O -7.235 1.206 0.756 1.00 . A A . 4 SER O 1 1 15 3190 1 1 4 SER OG O -5.859 5.275 1.338 1.00 . A A . 4 SER OG 1 1 15 3191 1 1 5 ASP C C -4.657 -1.295 -0.602 1.00 . A A . 5 ASP C 1 1 15 3192 1 1 5 ASP CA C -5.596 -0.175 -0.980 1.00 . A A . 5 ASP CA 1 1 15 3193 1 1 5 ASP CB C -5.546 0.077 -2.489 1.00 . A A . 5 ASP CB 1 1 15 3194 1 1 5 ASP CG C -5.799 -1.175 -3.306 1.00 . A A . 5 ASP CG 1 1 15 3195 1 1 5 ASP H H -4.342 1.366 -0.359 1.00 . A A . 5 ASP H 1 1 15 3196 1 1 5 ASP HA H -6.601 -0.454 -0.704 1.00 . A A . 5 ASP HA 1 1 15 3197 1 1 5 ASP HB2 H -6.290 0.816 -2.744 1.00 . A A . 5 ASP HB2 1 1 15 3198 1 1 5 ASP HB3 H -4.570 0.461 -2.744 1.00 . A A . 5 ASP HB3 1 1 15 3199 1 1 5 ASP N N -5.253 1.019 -0.243 1.00 . A A . 5 ASP N 1 1 15 3200 1 1 5 ASP O O -3.523 -1.346 -1.075 1.00 . A A . 5 ASP O 1 1 15 3201 1 1 5 ASP OD1 O -6.926 -1.731 -3.243 1.00 . A A . 5 ASP OD1 1 1 15 3202 1 1 5 ASP OD2 O -4.906 -1.597 -4.068 1.00 . A A . 5 ASP OD2 1 1 15 3203 1 1 6 PRO C C -3.576 -4.123 -0.344 1.00 . A A . 6 PRO C 1 1 15 3204 1 1 6 PRO CA C -4.292 -3.310 0.773 1.00 . A A . 6 PRO CA 1 1 15 3205 1 1 6 PRO CB C -5.268 -4.163 1.582 1.00 . A A . 6 PRO CB 1 1 15 3206 1 1 6 PRO CD C -6.421 -2.155 0.955 1.00 . A A . 6 PRO CD 1 1 15 3207 1 1 6 PRO CG C -6.309 -3.202 2.034 1.00 . A A . 6 PRO CG 1 1 15 3208 1 1 6 PRO HA H -3.523 -2.932 1.430 1.00 . A A . 6 PRO HA 1 1 15 3209 1 1 6 PRO HB2 H -5.678 -4.948 0.965 1.00 . A A . 6 PRO HB2 1 1 15 3210 1 1 6 PRO HB3 H -4.748 -4.597 2.423 1.00 . A A . 6 PRO HB3 1 1 15 3211 1 1 6 PRO HD2 H -7.203 -2.417 0.258 1.00 . A A . 6 PRO HD2 1 1 15 3212 1 1 6 PRO HD3 H -6.613 -1.185 1.390 1.00 . A A . 6 PRO HD3 1 1 15 3213 1 1 6 PRO HG2 H -7.251 -3.715 2.154 1.00 . A A . 6 PRO HG2 1 1 15 3214 1 1 6 PRO HG3 H -6.010 -2.748 2.967 1.00 . A A . 6 PRO HG3 1 1 15 3215 1 1 6 PRO N N -5.099 -2.185 0.299 1.00 . A A . 6 PRO N 1 1 15 3216 1 1 6 PRO O O -2.396 -4.393 -0.199 1.00 . A A . 6 PRO O 1 1 15 3217 1 1 7 PRO C C -2.291 -4.574 -3.024 1.00 . A A . 7 PRO C 1 1 15 3218 1 1 7 PRO CA C -3.608 -5.218 -2.595 1.00 . A A . 7 PRO CA 1 1 15 3219 1 1 7 PRO CB C -4.624 -5.125 -3.719 1.00 . A A . 7 PRO CB 1 1 15 3220 1 1 7 PRO CD C -5.712 -4.377 -1.752 1.00 . A A . 7 PRO CD 1 1 15 3221 1 1 7 PRO CG C -5.921 -5.141 -3.022 1.00 . A A . 7 PRO CG 1 1 15 3222 1 1 7 PRO HA H -3.434 -6.257 -2.355 1.00 . A A . 7 PRO HA 1 1 15 3223 1 1 7 PRO HB2 H -4.472 -4.202 -4.257 1.00 . A A . 7 PRO HB2 1 1 15 3224 1 1 7 PRO HB3 H -4.517 -5.968 -4.383 1.00 . A A . 7 PRO HB3 1 1 15 3225 1 1 7 PRO HD2 H -5.972 -3.338 -1.893 1.00 . A A . 7 PRO HD2 1 1 15 3226 1 1 7 PRO HD3 H -6.299 -4.808 -0.955 1.00 . A A . 7 PRO HD3 1 1 15 3227 1 1 7 PRO HG2 H -6.677 -4.668 -3.629 1.00 . A A . 7 PRO HG2 1 1 15 3228 1 1 7 PRO HG3 H -6.196 -6.161 -2.800 1.00 . A A . 7 PRO HG3 1 1 15 3229 1 1 7 PRO N N -4.264 -4.520 -1.483 1.00 . A A . 7 PRO N 1 1 15 3230 1 1 7 PRO O O -1.269 -5.267 -3.135 1.00 . A A . 7 PRO O 1 1 15 3231 1 1 8 CYS C C -0.181 -2.274 -2.451 1.00 . A A . 8 CYS C 1 1 15 3232 1 1 8 CYS CA C -1.045 -2.653 -3.647 1.00 . A A . 8 CYS CA 1 1 15 3233 1 1 8 CYS CB C -1.236 -1.465 -4.619 1.00 . A A . 8 CYS CB 1 1 15 3234 1 1 8 CYS H H -3.089 -2.720 -3.120 1.00 . A A . 8 CYS H 1 1 15 3235 1 1 8 CYS HA H -0.507 -3.433 -4.166 1.00 . A A . 8 CYS HA 1 1 15 3236 1 1 8 CYS HB2 H -0.274 -1.201 -5.032 1.00 . A A . 8 CYS HB2 1 1 15 3237 1 1 8 CYS HB3 H -1.878 -1.788 -5.426 1.00 . A A . 8 CYS HB3 1 1 15 3238 1 1 8 CYS N N -2.278 -3.266 -3.234 1.00 . A A . 8 CYS N 1 1 15 3239 1 1 8 CYS O O 1.013 -2.417 -2.503 1.00 . A A . 8 CYS O 1 1 15 3240 1 1 8 CYS SG S -1.943 0.069 -3.918 1.00 . A A . 8 CYS SG 1 1 15 3241 1 1 9 ARG C C 0.795 -2.555 0.407 1.00 . A A . 9 ARG C 1 1 15 3242 1 1 9 ARG CA C -0.040 -1.422 -0.157 1.00 . A A . 9 ARG CA 1 1 15 3243 1 1 9 ARG CB C -1.009 -0.915 0.884 1.00 . A A . 9 ARG CB 1 1 15 3244 1 1 9 ARG CD C 0.156 -0.710 3.131 1.00 . A A . 9 ARG CD 1 1 15 3245 1 1 9 ARG CG C -0.386 0.018 1.913 1.00 . A A . 9 ARG CG 1 1 15 3246 1 1 9 ARG CZ C -0.939 -1.387 5.268 1.00 . A A . 9 ARG CZ 1 1 15 3247 1 1 9 ARG H H -1.775 -1.845 -1.317 1.00 . A A . 9 ARG H 1 1 15 3248 1 1 9 ARG HA H 0.618 -0.617 -0.455 1.00 . A A . 9 ARG HA 1 1 15 3249 1 1 9 ARG HB2 H -1.847 -0.482 0.370 1.00 . A A . 9 ARG HB2 1 1 15 3250 1 1 9 ARG HB3 H -1.383 -1.784 1.406 1.00 . A A . 9 ARG HB3 1 1 15 3251 1 1 9 ARG HD2 H 0.793 -1.510 2.784 1.00 . A A . 9 ARG HD2 1 1 15 3252 1 1 9 ARG HD3 H 0.727 -0.023 3.735 1.00 . A A . 9 ARG HD3 1 1 15 3253 1 1 9 ARG HE H -1.702 -1.610 3.420 1.00 . A A . 9 ARG HE 1 1 15 3254 1 1 9 ARG HG2 H 0.432 0.521 1.416 1.00 . A A . 9 ARG HG2 1 1 15 3255 1 1 9 ARG HG3 H -1.129 0.735 2.227 1.00 . A A . 9 ARG HG3 1 1 15 3256 1 1 9 ARG HH11 H 0.883 -0.508 5.566 1.00 . A A . 9 ARG HH11 1 1 15 3257 1 1 9 ARG HH12 H 0.103 -1.016 6.993 1.00 . A A . 9 ARG HH12 1 1 15 3258 1 1 9 ARG HH21 H -2.787 -2.234 5.340 1.00 . A A . 9 ARG HH21 1 1 15 3259 1 1 9 ARG HH22 H -2.082 -1.993 6.867 1.00 . A A . 9 ARG HH22 1 1 15 3260 1 1 9 ARG N N -0.791 -1.869 -1.346 1.00 . A A . 9 ARG N 1 1 15 3261 1 1 9 ARG NE N -0.926 -1.285 3.934 1.00 . A A . 9 ARG NE 1 1 15 3262 1 1 9 ARG NH1 N 0.084 -0.940 5.993 1.00 . A A . 9 ARG NH1 1 1 15 3263 1 1 9 ARG NH2 N -1.998 -1.911 5.870 1.00 . A A . 9 ARG NH2 1 1 15 3264 1 1 9 ARG O O 1.899 -2.353 0.921 1.00 . A A . 9 ARG O 1 1 15 3265 1 1 10 ASN C C 2.226 -5.179 -0.123 1.00 . A A . 10 ASN C 1 1 15 3266 1 1 10 ASN CA C 0.948 -4.975 0.693 1.00 . A A . 10 ASN CA 1 1 15 3267 1 1 10 ASN CB C -0.015 -6.179 0.551 1.00 . A A . 10 ASN CB 1 1 15 3268 1 1 10 ASN CG C 0.569 -7.573 0.833 1.00 . A A . 10 ASN CG 1 1 15 3269 1 1 10 ASN H H -0.673 -3.733 -0.019 1.00 . A A . 10 ASN H 1 1 15 3270 1 1 10 ASN HA H 1.244 -4.862 1.721 1.00 . A A . 10 ASN HA 1 1 15 3271 1 1 10 ASN HB2 H -0.841 -6.039 1.232 1.00 . A A . 10 ASN HB2 1 1 15 3272 1 1 10 ASN HB3 H -0.408 -6.173 -0.456 1.00 . A A . 10 ASN HB3 1 1 15 3273 1 1 10 ASN HD21 H 1.828 -6.891 2.211 1.00 . A A . 10 ASN HD21 1 1 15 3274 1 1 10 ASN HD22 H 1.879 -8.578 1.914 1.00 . A A . 10 ASN HD22 1 1 15 3275 1 1 10 ASN N N 0.261 -3.728 0.300 1.00 . A A . 10 ASN N 1 1 15 3276 1 1 10 ASN ND2 N 1.507 -7.688 1.733 1.00 . A A . 10 ASN ND2 1 1 15 3277 1 1 10 ASN O O 3.157 -5.836 0.306 1.00 . A A . 10 ASN O 1 1 15 3278 1 1 10 ASN OD1 O 0.127 -8.564 0.229 1.00 . A A . 10 ASN OD1 1 1 15 3279 1 1 11 LYS C C 4.309 -3.471 -1.910 1.00 . A A . 11 LYS C 1 1 15 3280 1 1 11 LYS CA C 3.406 -4.668 -2.113 1.00 . A A . 11 LYS CA 1 1 15 3281 1 1 11 LYS CB C 2.939 -4.678 -3.552 1.00 . A A . 11 LYS CB 1 1 15 3282 1 1 11 LYS CD C 1.628 -5.822 -5.368 1.00 . A A . 11 LYS CD 1 1 15 3283 1 1 11 LYS CE C 2.815 -5.995 -6.297 1.00 . A A . 11 LYS CE 1 1 15 3284 1 1 11 LYS CG C 2.049 -5.853 -3.910 1.00 . A A . 11 LYS CG 1 1 15 3285 1 1 11 LYS H H 1.528 -4.036 -1.591 1.00 . A A . 11 LYS H 1 1 15 3286 1 1 11 LYS HA H 3.937 -5.588 -1.923 1.00 . A A . 11 LYS HA 1 1 15 3287 1 1 11 LYS HB2 H 2.401 -3.757 -3.735 1.00 . A A . 11 LYS HB2 1 1 15 3288 1 1 11 LYS HB3 H 3.804 -4.666 -4.186 1.00 . A A . 11 LYS HB3 1 1 15 3289 1 1 11 LYS HD2 H 0.925 -6.622 -5.548 1.00 . A A . 11 LYS HD2 1 1 15 3290 1 1 11 LYS HD3 H 1.155 -4.873 -5.571 1.00 . A A . 11 LYS HD3 1 1 15 3291 1 1 11 LYS HE2 H 3.514 -5.190 -6.131 1.00 . A A . 11 LYS HE2 1 1 15 3292 1 1 11 LYS HE3 H 3.292 -6.937 -6.075 1.00 . A A . 11 LYS HE3 1 1 15 3293 1 1 11 LYS HG2 H 2.589 -6.769 -3.721 1.00 . A A . 11 LYS HG2 1 1 15 3294 1 1 11 LYS HG3 H 1.168 -5.820 -3.286 1.00 . A A . 11 LYS HG3 1 1 15 3295 1 1 11 LYS HZ1 H 3.245 -6.165 -8.314 1.00 . A A . 11 LYS HZ1 1 1 15 3296 1 1 11 LYS HZ2 H 2.040 -5.042 -7.974 1.00 . A A . 11 LYS HZ2 1 1 15 3297 1 1 11 LYS HZ3 H 1.686 -6.682 -7.918 1.00 . A A . 11 LYS HZ3 1 1 15 3298 1 1 11 LYS N N 2.275 -4.583 -1.266 1.00 . A A . 11 LYS N 1 1 15 3299 1 1 11 LYS NZ N 2.419 -5.975 -7.712 1.00 . A A . 11 LYS NZ 1 1 15 3300 1 1 11 LYS O O 5.448 -3.459 -2.392 1.00 . A A . 11 LYS O 1 1 15 3301 1 1 12 HIS C C 4.736 -0.683 0.329 1.00 . A A . 12 HIS C 1 1 15 3302 1 1 12 HIS CA C 4.565 -1.215 -1.094 1.00 . A A . 12 HIS CA 1 1 15 3303 1 1 12 HIS CB C 3.913 -0.123 -1.971 1.00 . A A . 12 HIS CB 1 1 15 3304 1 1 12 HIS CD2 C 2.820 -0.949 -4.133 1.00 . A A . 12 HIS CD2 1 1 15 3305 1 1 12 HIS CE1 C 4.443 -0.684 -5.521 1.00 . A A . 12 HIS CE1 1 1 15 3306 1 1 12 HIS CG C 3.838 -0.439 -3.430 1.00 . A A . 12 HIS CG 1 1 15 3307 1 1 12 HIS H H 3.020 -2.622 -0.636 1.00 . A A . 12 HIS H 1 1 15 3308 1 1 12 HIS HA H 5.546 -1.411 -1.499 1.00 . A A . 12 HIS HA 1 1 15 3309 1 1 12 HIS HB2 H 2.901 0.037 -1.626 1.00 . A A . 12 HIS HB2 1 1 15 3310 1 1 12 HIS HB3 H 4.466 0.791 -1.850 1.00 . A A . 12 HIS HB3 1 1 15 3311 1 1 12 HIS HD1 H 5.752 0.117 -4.133 1.00 . A A . 12 HIS HD1 1 1 15 3312 1 1 12 HIS HD2 H 1.869 -1.214 -3.687 1.00 . A A . 12 HIS HD2 1 1 15 3313 1 1 12 HIS HE1 H 5.041 -0.705 -6.418 1.00 . A A . 12 HIS HE1 1 1 15 3314 1 1 12 HIS N N 3.838 -2.482 -1.169 1.00 . A A . 12 HIS N 1 1 15 3315 1 1 12 HIS ND1 N 4.869 -0.267 -4.325 1.00 . A A . 12 HIS ND1 1 1 15 3316 1 1 12 HIS NE2 N 3.195 -1.106 -5.456 1.00 . A A . 12 HIS NE2 1 1 15 3317 1 1 12 HIS O O 3.969 0.183 0.775 1.00 . A A . 12 HIS O 1 1 15 3318 1 1 13 PRO C C 6.876 0.566 2.404 1.00 . A A . 13 PRO C 1 1 15 3319 1 1 13 PRO CA C 6.018 -0.706 2.419 1.00 . A A . 13 PRO CA 1 1 15 3320 1 1 13 PRO CB C 6.803 -1.869 3.064 1.00 . A A . 13 PRO CB 1 1 15 3321 1 1 13 PRO CD C 6.628 -2.281 0.700 1.00 . A A . 13 PRO CD 1 1 15 3322 1 1 13 PRO CG C 6.871 -2.949 2.020 1.00 . A A . 13 PRO CG 1 1 15 3323 1 1 13 PRO HA H 5.116 -0.516 2.979 1.00 . A A . 13 PRO HA 1 1 15 3324 1 1 13 PRO HB2 H 7.791 -1.524 3.336 1.00 . A A . 13 PRO HB2 1 1 15 3325 1 1 13 PRO HB3 H 6.285 -2.209 3.948 1.00 . A A . 13 PRO HB3 1 1 15 3326 1 1 13 PRO HD2 H 7.554 -1.907 0.289 1.00 . A A . 13 PRO HD2 1 1 15 3327 1 1 13 PRO HD3 H 6.145 -2.957 0.010 1.00 . A A . 13 PRO HD3 1 1 15 3328 1 1 13 PRO HG2 H 7.848 -3.413 2.029 1.00 . A A . 13 PRO HG2 1 1 15 3329 1 1 13 PRO HG3 H 6.106 -3.686 2.213 1.00 . A A . 13 PRO HG3 1 1 15 3330 1 1 13 PRO N N 5.733 -1.183 1.072 1.00 . A A . 13 PRO N 1 1 15 3331 1 1 13 PRO O O 6.944 1.294 3.390 1.00 . A A . 13 PRO O 1 1 15 3332 1 1 14 ASP C C 7.644 3.201 0.612 1.00 . A A . 14 ASP C 1 1 15 3333 1 1 14 ASP CA C 8.396 1.992 1.149 1.00 . A A . 14 ASP CA 1 1 15 3334 1 1 14 ASP CB C 9.593 1.655 0.250 1.00 . A A . 14 ASP CB 1 1 15 3335 1 1 14 ASP CG C 10.552 2.807 0.073 1.00 . A A . 14 ASP CG 1 1 15 3336 1 1 14 ASP H H 7.359 0.254 0.501 1.00 . A A . 14 ASP H 1 1 15 3337 1 1 14 ASP HA H 8.758 2.230 2.138 1.00 . A A . 14 ASP HA 1 1 15 3338 1 1 14 ASP HB2 H 10.140 0.827 0.676 1.00 . A A . 14 ASP HB2 1 1 15 3339 1 1 14 ASP HB3 H 9.232 1.369 -0.725 1.00 . A A . 14 ASP HB3 1 1 15 3340 1 1 14 ASP N N 7.504 0.836 1.277 1.00 . A A . 14 ASP N 1 1 15 3341 1 1 14 ASP O O 8.043 4.348 0.821 1.00 . A A . 14 ASP O 1 1 15 3342 1 1 14 ASP OD1 O 11.331 3.096 1.003 1.00 . A A . 14 ASP OD1 1 1 15 3343 1 1 14 ASP OD2 O 10.555 3.440 -0.997 1.00 . A A . 14 ASP OD2 1 1 15 3344 1 1 15 LEU C C 4.776 4.502 0.513 1.00 . A A . 15 LEU C 1 1 15 3345 1 1 15 LEU CA C 5.724 3.986 -0.564 1.00 . A A . 15 LEU CA 1 1 15 3346 1 1 15 LEU CB C 4.942 3.425 -1.740 1.00 . A A . 15 LEU CB 1 1 15 3347 1 1 15 LEU CD1 C 4.760 5.534 -3.086 1.00 . A A . 15 LEU CD1 1 1 15 3348 1 1 15 LEU CD2 C 3.107 3.659 -3.419 1.00 . A A . 15 LEU CD2 1 1 15 3349 1 1 15 LEU CG C 4.003 4.381 -2.428 1.00 . A A . 15 LEU CG 1 1 15 3350 1 1 15 LEU H H 6.184 2.048 -0.172 1.00 . A A . 15 LEU H 1 1 15 3351 1 1 15 LEU HA H 6.383 4.763 -0.912 1.00 . A A . 15 LEU HA 1 1 15 3352 1 1 15 LEU HB2 H 5.632 3.031 -2.471 1.00 . A A . 15 LEU HB2 1 1 15 3353 1 1 15 LEU HB3 H 4.347 2.615 -1.348 1.00 . A A . 15 LEU HB3 1 1 15 3354 1 1 15 LEU HD11 H 4.058 6.189 -3.581 1.00 . A A . 15 LEU HD11 1 1 15 3355 1 1 15 LEU HD12 H 5.459 5.142 -3.810 1.00 . A A . 15 LEU HD12 1 1 15 3356 1 1 15 LEU HD13 H 5.298 6.089 -2.333 1.00 . A A . 15 LEU HD13 1 1 15 3357 1 1 15 LEU HD21 H 2.451 4.370 -3.898 1.00 . A A . 15 LEU HD21 1 1 15 3358 1 1 15 LEU HD22 H 2.516 2.921 -2.897 1.00 . A A . 15 LEU HD22 1 1 15 3359 1 1 15 LEU HD23 H 3.715 3.169 -4.165 1.00 . A A . 15 LEU HD23 1 1 15 3360 1 1 15 LEU HG H 3.396 4.741 -1.615 1.00 . A A . 15 LEU HG 1 1 15 3361 1 1 15 LEU N N 6.512 2.953 -0.012 1.00 . A A . 15 LEU N 1 1 15 3362 1 1 15 LEU O O 4.347 5.662 0.490 1.00 . A A . 15 LEU O 1 1 15 3363 1 1 16 CYS C C 4.217 3.315 3.805 1.00 . A A . 16 CYS C 1 1 15 3364 1 1 16 CYS CA C 3.687 4.039 2.592 1.00 . A A . 16 CYS CA 1 1 15 3365 1 1 16 CYS CB C 2.200 3.747 2.393 1.00 . A A . 16 CYS CB 1 1 15 3366 1 1 16 CYS H H 4.772 2.719 1.404 1.00 . A A . 16 CYS H 1 1 15 3367 1 1 16 CYS HA H 3.831 5.100 2.735 1.00 . A A . 16 CYS HA 1 1 15 3368 1 1 16 CYS HB2 H 1.887 4.148 1.441 1.00 . A A . 16 CYS HB2 1 1 15 3369 1 1 16 CYS HB3 H 2.050 2.678 2.398 1.00 . A A . 16 CYS HB3 1 1 15 3370 1 1 16 CYS N N 4.468 3.650 1.457 1.00 . A A . 16 CYS N 1 1 15 3371 1 1 16 CYS O O 3.853 2.173 4.071 1.00 . A A . 16 CYS O 1 1 15 3372 1 1 16 CYS SG S 1.148 4.470 3.704 1.00 . A A . 16 CYS SG 1 1 15 3373 1 1 17 NH2 HN1 H 5.369 4.857 4.235 1.00 . A A . 17 NH2 HN1 1 1 15 3374 1 1 17 NH2 HN2 H 5.523 3.474 5.257 1.00 . A A . 17 NH2 HN2 1 1 15 3375 1 1 17 NH2 N N 5.123 3.946 4.498 1.00 . A A . 17 NH2 N 1 1 16 3376 1 1 1 GLY C C -5.262 3.568 -3.892 1.00 . A A . 1 GLY C 1 1 16 3377 1 1 1 GLY CA C -6.240 4.695 -4.017 1.00 . A A . 1 GLY CA 1 1 16 3378 1 1 1 GLY H1 H -7.264 5.687 -5.535 1.00 . A A . 1 GLY H1 1 1 16 3379 1 1 1 GLY H2 H -6.915 4.054 -5.839 1.00 . A A . 1 GLY H2 1 1 16 3380 1 1 1 GLY H3 H -5.695 5.189 -5.945 1.00 . A A . 1 GLY H3 1 1 16 3381 1 1 1 GLY HA2 H -5.798 5.585 -3.596 1.00 . A A . 1 GLY HA2 1 1 16 3382 1 1 1 GLY HA3 H -7.145 4.450 -3.480 1.00 . A A . 1 GLY HA3 1 1 16 3383 1 1 1 GLY N N -6.555 4.938 -5.419 1.00 . A A . 1 GLY N 1 1 16 3384 1 1 1 GLY O O -5.588 2.428 -4.194 1.00 . A A . 1 GLY O 1 1 16 3385 1 1 2 CYS C C -2.721 2.554 -1.950 1.00 . A A . 2 CYS C 1 1 16 3386 1 1 2 CYS CA C -3.052 2.853 -3.393 1.00 . A A . 2 CYS CA 1 1 16 3387 1 1 2 CYS CB C -1.810 3.318 -4.124 1.00 . A A . 2 CYS CB 1 1 16 3388 1 1 2 CYS H H -3.853 4.782 -3.200 1.00 . A A . 2 CYS H 1 1 16 3389 1 1 2 CYS HA H -3.425 1.963 -3.876 1.00 . A A . 2 CYS HA 1 1 16 3390 1 1 2 CYS HB2 H -2.102 3.748 -5.064 1.00 . A A . 2 CYS HB2 1 1 16 3391 1 1 2 CYS HB3 H -1.371 4.109 -3.534 1.00 . A A . 2 CYS HB3 1 1 16 3392 1 1 2 CYS N N -4.066 3.864 -3.473 1.00 . A A . 2 CYS N 1 1 16 3393 1 1 2 CYS O O -2.903 1.450 -1.486 1.00 . A A . 2 CYS O 1 1 16 3394 1 1 2 CYS SG S -0.524 2.049 -4.372 1.00 . A A . 2 CYS SG 1 1 16 3395 1 1 3 CYS C C -2.938 2.880 1.097 1.00 . A A . 3 CYS C 1 1 16 3396 1 1 3 CYS CA C -1.843 3.433 0.141 1.00 . A A . 3 CYS CA 1 1 16 3397 1 1 3 CYS CB C -1.277 4.780 0.635 1.00 . A A . 3 CYS CB 1 1 16 3398 1 1 3 CYS H H -2.313 4.447 -1.678 1.00 . A A . 3 CYS H 1 1 16 3399 1 1 3 CYS HA H -1.039 2.713 0.122 1.00 . A A . 3 CYS HA 1 1 16 3400 1 1 3 CYS HB2 H -0.578 5.153 -0.100 1.00 . A A . 3 CYS HB2 1 1 16 3401 1 1 3 CYS HB3 H -2.090 5.484 0.731 1.00 . A A . 3 CYS HB3 1 1 16 3402 1 1 3 CYS N N -2.314 3.570 -1.240 1.00 . A A . 3 CYS N 1 1 16 3403 1 1 3 CYS O O -2.640 2.202 2.087 1.00 . A A . 3 CYS O 1 1 16 3404 1 1 3 CYS SG S -0.391 4.722 2.238 1.00 . A A . 3 CYS SG 1 1 16 3405 1 1 4 SER C C -5.743 1.269 1.134 1.00 . A A . 4 SER C 1 1 16 3406 1 1 4 SER CA C -5.269 2.648 1.610 1.00 . A A . 4 SER CA 1 1 16 3407 1 1 4 SER CB C -6.403 3.629 1.529 1.00 . A A . 4 SER CB 1 1 16 3408 1 1 4 SER H H -4.437 3.694 0.028 1.00 . A A . 4 SER H 1 1 16 3409 1 1 4 SER HA H -4.938 2.589 2.635 1.00 . A A . 4 SER HA 1 1 16 3410 1 1 4 SER HB2 H -6.786 3.649 0.520 1.00 . A A . 4 SER HB2 1 1 16 3411 1 1 4 SER HB3 H -7.176 3.320 2.210 1.00 . A A . 4 SER HB3 1 1 16 3412 1 1 4 SER HG H -5.056 4.856 2.198 1.00 . A A . 4 SER HG 1 1 16 3413 1 1 4 SER N N -4.191 3.139 0.797 1.00 . A A . 4 SER N 1 1 16 3414 1 1 4 SER O O -6.486 0.576 1.834 1.00 . A A . 4 SER O 1 1 16 3415 1 1 4 SER OG O -5.965 4.928 1.880 1.00 . A A . 4 SER OG 1 1 16 3416 1 1 5 ASP C C -4.659 -1.436 -0.398 1.00 . A A . 5 ASP C 1 1 16 3417 1 1 5 ASP CA C -5.707 -0.374 -0.646 1.00 . A A . 5 ASP CA 1 1 16 3418 1 1 5 ASP CB C -5.914 -0.156 -2.151 1.00 . A A . 5 ASP CB 1 1 16 3419 1 1 5 ASP CG C -6.289 -1.411 -2.910 1.00 . A A . 5 ASP CG 1 1 16 3420 1 1 5 ASP H H -4.582 1.388 -0.476 1.00 . A A . 5 ASP H 1 1 16 3421 1 1 5 ASP HA H -6.642 -0.673 -0.198 1.00 . A A . 5 ASP HA 1 1 16 3422 1 1 5 ASP HB2 H -6.700 0.569 -2.300 1.00 . A A . 5 ASP HB2 1 1 16 3423 1 1 5 ASP HB3 H -4.999 0.235 -2.570 1.00 . A A . 5 ASP HB3 1 1 16 3424 1 1 5 ASP N N -5.284 0.870 -0.025 1.00 . A A . 5 ASP N 1 1 16 3425 1 1 5 ASP O O -3.561 -1.323 -0.898 1.00 . A A . 5 ASP O 1 1 16 3426 1 1 5 ASP OD1 O -7.389 -1.972 -2.671 1.00 . A A . 5 ASP OD1 1 1 16 3427 1 1 5 ASP OD2 O -5.498 -1.848 -3.791 1.00 . A A . 5 ASP OD2 1 1 16 3428 1 1 6 PRO C C -3.129 -4.109 -0.336 1.00 . A A . 6 PRO C 1 1 16 3429 1 1 6 PRO CA C -4.042 -3.541 0.794 1.00 . A A . 6 PRO CA 1 1 16 3430 1 1 6 PRO CB C -4.923 -4.614 1.428 1.00 . A A . 6 PRO CB 1 1 16 3431 1 1 6 PRO CD C -6.319 -2.691 1.005 1.00 . A A . 6 PRO CD 1 1 16 3432 1 1 6 PRO CG C -6.112 -3.867 1.929 1.00 . A A . 6 PRO CG 1 1 16 3433 1 1 6 PRO HA H -3.369 -3.153 1.544 1.00 . A A . 6 PRO HA 1 1 16 3434 1 1 6 PRO HB2 H -5.186 -5.366 0.701 1.00 . A A . 6 PRO HB2 1 1 16 3435 1 1 6 PRO HB3 H -4.388 -5.077 2.244 1.00 . A A . 6 PRO HB3 1 1 16 3436 1 1 6 PRO HD2 H -7.052 -2.925 0.248 1.00 . A A . 6 PRO HD2 1 1 16 3437 1 1 6 PRO HD3 H -6.629 -1.826 1.572 1.00 . A A . 6 PRO HD3 1 1 16 3438 1 1 6 PRO HG2 H -6.981 -4.507 1.920 1.00 . A A . 6 PRO HG2 1 1 16 3439 1 1 6 PRO HG3 H -5.917 -3.519 2.932 1.00 . A A . 6 PRO HG3 1 1 16 3440 1 1 6 PRO N N -4.987 -2.473 0.402 1.00 . A A . 6 PRO N 1 1 16 3441 1 1 6 PRO O O -1.912 -4.174 -0.135 1.00 . A A . 6 PRO O 1 1 16 3442 1 1 7 PRO C C -1.827 -3.928 -3.153 1.00 . A A . 7 PRO C 1 1 16 3443 1 1 7 PRO CA C -2.793 -5.008 -2.626 1.00 . A A . 7 PRO CA 1 1 16 3444 1 1 7 PRO CB C -3.789 -5.411 -3.725 1.00 . A A . 7 PRO CB 1 1 16 3445 1 1 7 PRO CD C -5.077 -4.548 -1.938 1.00 . A A . 7 PRO CD 1 1 16 3446 1 1 7 PRO CG C -5.089 -5.565 -3.027 1.00 . A A . 7 PRO CG 1 1 16 3447 1 1 7 PRO HA H -2.225 -5.870 -2.307 1.00 . A A . 7 PRO HA 1 1 16 3448 1 1 7 PRO HB2 H -3.831 -4.625 -4.464 1.00 . A A . 7 PRO HB2 1 1 16 3449 1 1 7 PRO HB3 H -3.476 -6.334 -4.189 1.00 . A A . 7 PRO HB3 1 1 16 3450 1 1 7 PRO HD2 H -5.401 -3.590 -2.319 1.00 . A A . 7 PRO HD2 1 1 16 3451 1 1 7 PRO HD3 H -5.704 -4.860 -1.117 1.00 . A A . 7 PRO HD3 1 1 16 3452 1 1 7 PRO HG2 H -5.902 -5.373 -3.713 1.00 . A A . 7 PRO HG2 1 1 16 3453 1 1 7 PRO HG3 H -5.173 -6.558 -2.612 1.00 . A A . 7 PRO HG3 1 1 16 3454 1 1 7 PRO N N -3.653 -4.507 -1.540 1.00 . A A . 7 PRO N 1 1 16 3455 1 1 7 PRO O O -0.784 -4.230 -3.721 1.00 . A A . 7 PRO O 1 1 16 3456 1 1 8 CYS C C -0.619 -0.982 -2.158 1.00 . A A . 8 CYS C 1 1 16 3457 1 1 8 CYS CA C -1.351 -1.573 -3.379 1.00 . A A . 8 CYS CA 1 1 16 3458 1 1 8 CYS CB C -2.250 -0.520 -4.040 1.00 . A A . 8 CYS CB 1 1 16 3459 1 1 8 CYS H H -2.990 -2.475 -2.432 1.00 . A A . 8 CYS H 1 1 16 3460 1 1 8 CYS HA H -0.632 -1.944 -4.096 1.00 . A A . 8 CYS HA 1 1 16 3461 1 1 8 CYS HB2 H -3.084 -1.029 -4.500 1.00 . A A . 8 CYS HB2 1 1 16 3462 1 1 8 CYS HB3 H -2.624 0.138 -3.268 1.00 . A A . 8 CYS HB3 1 1 16 3463 1 1 8 CYS N N -2.165 -2.680 -2.929 1.00 . A A . 8 CYS N 1 1 16 3464 1 1 8 CYS O O -0.001 0.067 -2.216 1.00 . A A . 8 CYS O 1 1 16 3465 1 1 8 CYS SG S -1.457 0.520 -5.341 1.00 . A A . 8 CYS SG 1 1 16 3466 1 1 9 ARG C C 1.012 -2.192 0.592 1.00 . A A . 9 ARG C 1 1 16 3467 1 1 9 ARG CA C -0.038 -1.229 0.136 1.00 . A A . 9 ARG CA 1 1 16 3468 1 1 9 ARG CB C -1.070 -1.124 1.210 1.00 . A A . 9 ARG CB 1 1 16 3469 1 1 9 ARG CD C -1.606 -0.570 3.577 1.00 . A A . 9 ARG CD 1 1 16 3470 1 1 9 ARG CG C -0.536 -0.579 2.500 1.00 . A A . 9 ARG CG 1 1 16 3471 1 1 9 ARG CZ C -3.372 -2.189 4.297 1.00 . A A . 9 ARG CZ 1 1 16 3472 1 1 9 ARG H H -1.175 -2.528 -1.048 1.00 . A A . 9 ARG H 1 1 16 3473 1 1 9 ARG HA H 0.396 -0.253 -0.027 1.00 . A A . 9 ARG HA 1 1 16 3474 1 1 9 ARG HB2 H -1.904 -0.554 0.843 1.00 . A A . 9 ARG HB2 1 1 16 3475 1 1 9 ARG HB3 H -1.431 -2.125 1.400 1.00 . A A . 9 ARG HB3 1 1 16 3476 1 1 9 ARG HD2 H -1.187 -0.158 4.482 1.00 . A A . 9 ARG HD2 1 1 16 3477 1 1 9 ARG HD3 H -2.421 0.054 3.242 1.00 . A A . 9 ARG HD3 1 1 16 3478 1 1 9 ARG HE H -1.474 -2.657 3.758 1.00 . A A . 9 ARG HE 1 1 16 3479 1 1 9 ARG HG2 H 0.297 -1.208 2.776 1.00 . A A . 9 ARG HG2 1 1 16 3480 1 1 9 ARG HG3 H -0.182 0.421 2.299 1.00 . A A . 9 ARG HG3 1 1 16 3481 1 1 9 ARG HH11 H -4.041 -0.267 4.157 1.00 . A A . 9 ARG HH11 1 1 16 3482 1 1 9 ARG HH12 H -5.212 -1.371 4.701 1.00 . A A . 9 ARG HH12 1 1 16 3483 1 1 9 ARG HH21 H -3.058 -4.191 4.554 1.00 . A A . 9 ARG HH21 1 1 16 3484 1 1 9 ARG HH22 H -4.638 -3.660 4.939 1.00 . A A . 9 ARG HH22 1 1 16 3485 1 1 9 ARG N N -0.663 -1.691 -1.064 1.00 . A A . 9 ARG N 1 1 16 3486 1 1 9 ARG NE N -2.130 -1.922 3.869 1.00 . A A . 9 ARG NE 1 1 16 3487 1 1 9 ARG NH1 N -4.267 -1.212 4.395 1.00 . A A . 9 ARG NH1 1 1 16 3488 1 1 9 ARG NH2 N -3.714 -3.433 4.617 1.00 . A A . 9 ARG NH2 1 1 16 3489 1 1 9 ARG O O 2.164 -1.842 0.755 1.00 . A A . 9 ARG O 1 1 16 3490 1 1 10 ASN C C 2.552 -4.859 0.363 1.00 . A A . 10 ASN C 1 1 16 3491 1 1 10 ASN CA C 1.482 -4.435 1.348 1.00 . A A . 10 ASN CA 1 1 16 3492 1 1 10 ASN CB C 0.705 -5.645 1.890 1.00 . A A . 10 ASN CB 1 1 16 3493 1 1 10 ASN CG C -0.202 -5.305 3.081 1.00 . A A . 10 ASN CG 1 1 16 3494 1 1 10 ASN H H -0.345 -3.606 0.605 1.00 . A A . 10 ASN H 1 1 16 3495 1 1 10 ASN HA H 1.991 -3.963 2.174 1.00 . A A . 10 ASN HA 1 1 16 3496 1 1 10 ASN HB2 H 0.090 -6.046 1.099 1.00 . A A . 10 ASN HB2 1 1 16 3497 1 1 10 ASN HB3 H 1.414 -6.397 2.203 1.00 . A A . 10 ASN HB3 1 1 16 3498 1 1 10 ASN HD21 H 0.120 -7.082 3.877 1.00 . A A . 10 ASN HD21 1 1 16 3499 1 1 10 ASN HD22 H -0.890 -6.023 4.784 1.00 . A A . 10 ASN HD22 1 1 16 3500 1 1 10 ASN N N 0.601 -3.409 0.797 1.00 . A A . 10 ASN N 1 1 16 3501 1 1 10 ASN ND2 N -0.345 -6.225 3.995 1.00 . A A . 10 ASN ND2 1 1 16 3502 1 1 10 ASN O O 3.559 -5.443 0.741 1.00 . A A . 10 ASN O 1 1 16 3503 1 1 10 ASN OD1 O -0.762 -4.209 3.175 1.00 . A A . 10 ASN OD1 1 1 16 3504 1 1 11 LYS C C 4.154 -3.563 -2.133 1.00 . A A . 11 LYS C 1 1 16 3505 1 1 11 LYS CA C 3.302 -4.803 -1.928 1.00 . A A . 11 LYS CA 1 1 16 3506 1 1 11 LYS CB C 2.568 -5.102 -3.224 1.00 . A A . 11 LYS CB 1 1 16 3507 1 1 11 LYS CD C 2.296 -7.688 -3.177 1.00 . A A . 11 LYS CD 1 1 16 3508 1 1 11 LYS CE C 2.830 -8.051 -1.797 1.00 . A A . 11 LYS CE 1 1 16 3509 1 1 11 LYS CG C 1.617 -6.309 -3.243 1.00 . A A . 11 LYS CG 1 1 16 3510 1 1 11 LYS H H 1.496 -4.142 -1.181 1.00 . A A . 11 LYS H 1 1 16 3511 1 1 11 LYS HA H 3.938 -5.632 -1.674 1.00 . A A . 11 LYS HA 1 1 16 3512 1 1 11 LYS HB2 H 1.975 -4.230 -3.457 1.00 . A A . 11 LYS HB2 1 1 16 3513 1 1 11 LYS HB3 H 3.302 -5.212 -3.998 1.00 . A A . 11 LYS HB3 1 1 16 3514 1 1 11 LYS HD2 H 1.573 -8.435 -3.462 1.00 . A A . 11 LYS HD2 1 1 16 3515 1 1 11 LYS HD3 H 3.111 -7.699 -3.886 1.00 . A A . 11 LYS HD3 1 1 16 3516 1 1 11 LYS HE2 H 3.687 -7.438 -1.570 1.00 . A A . 11 LYS HE2 1 1 16 3517 1 1 11 LYS HE3 H 2.061 -7.895 -1.056 1.00 . A A . 11 LYS HE3 1 1 16 3518 1 1 11 LYS HG2 H 0.955 -6.225 -2.395 1.00 . A A . 11 LYS HG2 1 1 16 3519 1 1 11 LYS HG3 H 1.027 -6.252 -4.146 1.00 . A A . 11 LYS HG3 1 1 16 3520 1 1 11 LYS HZ1 H 3.683 -9.639 -0.785 1.00 . A A . 11 LYS HZ1 1 1 16 3521 1 1 11 LYS HZ2 H 4.040 -9.633 -2.426 1.00 . A A . 11 LYS HZ2 1 1 16 3522 1 1 11 LYS HZ3 H 2.501 -10.108 -1.890 1.00 . A A . 11 LYS HZ3 1 1 16 3523 1 1 11 LYS N N 2.339 -4.548 -0.896 1.00 . A A . 11 LYS N 1 1 16 3524 1 1 11 LYS NZ N 3.288 -9.449 -1.730 1.00 . A A . 11 LYS NZ 1 1 16 3525 1 1 11 LYS O O 5.043 -3.538 -2.976 1.00 . A A . 11 LYS O 1 1 16 3526 1 1 12 HIS C C 4.768 -0.646 -0.094 1.00 . A A . 12 HIS C 1 1 16 3527 1 1 12 HIS CA C 4.503 -1.227 -1.501 1.00 . A A . 12 HIS CA 1 1 16 3528 1 1 12 HIS CB C 3.527 -0.296 -2.259 1.00 . A A . 12 HIS CB 1 1 16 3529 1 1 12 HIS CD2 C 2.009 -1.574 -3.891 1.00 . A A . 12 HIS CD2 1 1 16 3530 1 1 12 HIS CE1 C 3.058 -1.255 -5.748 1.00 . A A . 12 HIS CE1 1 1 16 3531 1 1 12 HIS CG C 3.076 -0.814 -3.598 1.00 . A A . 12 HIS CG 1 1 16 3532 1 1 12 HIS H H 3.217 -2.636 -0.632 1.00 . A A . 12 HIS H 1 1 16 3533 1 1 12 HIS HA H 5.421 -1.318 -2.059 1.00 . A A . 12 HIS HA 1 1 16 3534 1 1 12 HIS HB2 H 2.639 -0.204 -1.651 1.00 . A A . 12 HIS HB2 1 1 16 3535 1 1 12 HIS HB3 H 3.945 0.687 -2.382 1.00 . A A . 12 HIS HB3 1 1 16 3536 1 1 12 HIS HD1 H 4.570 -0.110 -4.926 1.00 . A A . 12 HIS HD1 1 1 16 3537 1 1 12 HIS HD2 H 1.294 -1.889 -3.140 1.00 . A A . 12 HIS HD2 1 1 16 3538 1 1 12 HIS HE1 H 3.348 -1.279 -6.788 1.00 . A A . 12 HIS HE1 1 1 16 3539 1 1 12 HIS N N 3.869 -2.536 -1.362 1.00 . A A . 12 HIS N 1 1 16 3540 1 1 12 HIS ND1 N 3.736 -0.615 -4.787 1.00 . A A . 12 HIS ND1 1 1 16 3541 1 1 12 HIS NE2 N 1.990 -1.858 -5.253 1.00 . A A . 12 HIS NE2 1 1 16 3542 1 1 12 HIS O O 4.374 0.492 0.202 1.00 . A A . 12 HIS O 1 1 16 3543 1 1 13 PRO C C 6.527 0.192 2.419 1.00 . A A . 13 PRO C 1 1 16 3544 1 1 13 PRO CA C 5.627 -1.020 2.193 1.00 . A A . 13 PRO CA 1 1 16 3545 1 1 13 PRO CB C 6.226 -2.281 2.855 1.00 . A A . 13 PRO CB 1 1 16 3546 1 1 13 PRO CD C 6.291 -2.588 0.485 1.00 . A A . 13 PRO CD 1 1 16 3547 1 1 13 PRO CG C 6.260 -3.325 1.784 1.00 . A A . 13 PRO CG 1 1 16 3548 1 1 13 PRO HA H 4.660 -0.816 2.626 1.00 . A A . 13 PRO HA 1 1 16 3549 1 1 13 PRO HB2 H 7.215 -2.063 3.225 1.00 . A A . 13 PRO HB2 1 1 16 3550 1 1 13 PRO HB3 H 5.595 -2.589 3.677 1.00 . A A . 13 PRO HB3 1 1 16 3551 1 1 13 PRO HD2 H 7.304 -2.324 0.218 1.00 . A A . 13 PRO HD2 1 1 16 3552 1 1 13 PRO HD3 H 5.828 -3.168 -0.300 1.00 . A A . 13 PRO HD3 1 1 16 3553 1 1 13 PRO HG2 H 7.145 -3.935 1.890 1.00 . A A . 13 PRO HG2 1 1 16 3554 1 1 13 PRO HG3 H 5.375 -3.941 1.844 1.00 . A A . 13 PRO HG3 1 1 16 3555 1 1 13 PRO N N 5.494 -1.386 0.786 1.00 . A A . 13 PRO N 1 1 16 3556 1 1 13 PRO O O 6.405 0.885 3.436 1.00 . A A . 13 PRO O 1 1 16 3557 1 1 14 ASP C C 7.711 2.897 1.182 1.00 . A A . 14 ASP C 1 1 16 3558 1 1 14 ASP CA C 8.323 1.574 1.606 1.00 . A A . 14 ASP CA 1 1 16 3559 1 1 14 ASP CB C 9.613 1.290 0.844 1.00 . A A . 14 ASP CB 1 1 16 3560 1 1 14 ASP CG C 10.631 2.385 0.977 1.00 . A A . 14 ASP CG 1 1 16 3561 1 1 14 ASP H H 7.369 -0.048 0.634 1.00 . A A . 14 ASP H 1 1 16 3562 1 1 14 ASP HA H 8.556 1.645 2.659 1.00 . A A . 14 ASP HA 1 1 16 3563 1 1 14 ASP HB2 H 10.057 0.388 1.237 1.00 . A A . 14 ASP HB2 1 1 16 3564 1 1 14 ASP HB3 H 9.395 1.147 -0.202 1.00 . A A . 14 ASP HB3 1 1 16 3565 1 1 14 ASP N N 7.378 0.480 1.462 1.00 . A A . 14 ASP N 1 1 16 3566 1 1 14 ASP O O 8.013 3.936 1.756 1.00 . A A . 14 ASP O 1 1 16 3567 1 1 14 ASP OD1 O 11.241 2.519 2.060 1.00 . A A . 14 ASP OD1 1 1 16 3568 1 1 14 ASP OD2 O 10.883 3.107 -0.010 1.00 . A A . 14 ASP OD2 1 1 16 3569 1 1 15 LEU C C 4.887 4.309 0.559 1.00 . A A . 15 LEU C 1 1 16 3570 1 1 15 LEU CA C 6.176 4.076 -0.232 1.00 . A A . 15 LEU CA 1 1 16 3571 1 1 15 LEU CB C 5.977 4.117 -1.780 1.00 . A A . 15 LEU CB 1 1 16 3572 1 1 15 LEU CD1 C 3.616 3.301 -2.268 1.00 . A A . 15 LEU CD1 1 1 16 3573 1 1 15 LEU CD2 C 5.454 2.917 -3.928 1.00 . A A . 15 LEU CD2 1 1 16 3574 1 1 15 LEU CG C 5.108 3.035 -2.454 1.00 . A A . 15 LEU CG 1 1 16 3575 1 1 15 LEU H H 6.644 2.022 -0.262 1.00 . A A . 15 LEU H 1 1 16 3576 1 1 15 LEU HA H 6.873 4.847 0.049 1.00 . A A . 15 LEU HA 1 1 16 3577 1 1 15 LEU HB2 H 5.542 5.071 -2.032 1.00 . A A . 15 LEU HB2 1 1 16 3578 1 1 15 LEU HB3 H 6.960 4.080 -2.230 1.00 . A A . 15 LEU HB3 1 1 16 3579 1 1 15 LEU HD11 H 3.373 4.265 -2.692 1.00 . A A . 15 LEU HD11 1 1 16 3580 1 1 15 LEU HD12 H 3.380 3.303 -1.214 1.00 . A A . 15 LEU HD12 1 1 16 3581 1 1 15 LEU HD13 H 3.043 2.535 -2.768 1.00 . A A . 15 LEU HD13 1 1 16 3582 1 1 15 LEU HD21 H 4.847 2.147 -4.379 1.00 . A A . 15 LEU HD21 1 1 16 3583 1 1 15 LEU HD22 H 6.499 2.663 -4.035 1.00 . A A . 15 LEU HD22 1 1 16 3584 1 1 15 LEU HD23 H 5.262 3.859 -4.419 1.00 . A A . 15 LEU HD23 1 1 16 3585 1 1 15 LEU HG H 5.330 2.090 -1.982 1.00 . A A . 15 LEU HG 1 1 16 3586 1 1 15 LEU N N 6.831 2.865 0.200 1.00 . A A . 15 LEU N 1 1 16 3587 1 1 15 LEU O O 4.371 5.429 0.634 1.00 . A A . 15 LEU O 1 1 16 3588 1 1 16 CYS C C 3.402 2.353 3.165 1.00 . A A . 16 CYS C 1 1 16 3589 1 1 16 CYS CA C 3.219 3.300 1.986 1.00 . A A . 16 CYS CA 1 1 16 3590 1 1 16 CYS CB C 1.928 2.984 1.217 1.00 . A A . 16 CYS CB 1 1 16 3591 1 1 16 CYS H H 4.788 2.369 0.966 1.00 . A A . 16 CYS H 1 1 16 3592 1 1 16 CYS HA H 3.162 4.306 2.373 1.00 . A A . 16 CYS HA 1 1 16 3593 1 1 16 CYS HB2 H 1.756 3.760 0.487 1.00 . A A . 16 CYS HB2 1 1 16 3594 1 1 16 CYS HB3 H 2.042 2.037 0.709 1.00 . A A . 16 CYS HB3 1 1 16 3595 1 1 16 CYS N N 4.377 3.244 1.134 1.00 . A A . 16 CYS N 1 1 16 3596 1 1 16 CYS O O 3.747 2.781 4.264 1.00 . A A . 16 CYS O 1 1 16 3597 1 1 16 CYS SG S 0.444 2.874 2.289 1.00 . A A . 16 CYS SG 1 1 16 3598 1 1 17 NH2 HN1 H 2.914 0.781 2.048 1.00 . A A . 17 NH2 HN1 1 1 16 3599 1 1 17 NH2 HN2 H 3.298 0.445 3.695 1.00 . A A . 17 NH2 HN2 1 1 16 3600 1 1 17 NH2 N N 3.184 1.068 2.946 1.00 . A A . 17 NH2 N 1 1 17 3601 1 1 1 GLY C C -5.875 4.766 -2.794 1.00 . A A . 1 GLY C 1 1 17 3602 1 1 1 GLY CA C -6.342 6.191 -2.653 1.00 . A A . 1 GLY CA 1 1 17 3603 1 1 1 GLY H1 H -8.338 5.722 -2.752 1.00 . A A . 1 GLY H1 1 1 17 3604 1 1 1 GLY H2 H -7.649 6.068 -4.247 1.00 . A A . 1 GLY H2 1 1 17 3605 1 1 1 GLY H3 H -8.016 7.325 -3.180 1.00 . A A . 1 GLY H3 1 1 17 3606 1 1 1 GLY HA2 H -5.644 6.842 -3.157 1.00 . A A . 1 GLY HA2 1 1 17 3607 1 1 1 GLY HA3 H -6.393 6.456 -1.607 1.00 . A A . 1 GLY HA3 1 1 17 3608 1 1 1 GLY N N -7.671 6.348 -3.245 1.00 . A A . 1 GLY N 1 1 17 3609 1 1 1 GLY O O -6.536 3.847 -2.313 1.00 . A A . 1 GLY O 1 1 17 3610 1 1 2 CYS C C -3.606 2.642 -2.509 1.00 . A A . 2 CYS C 1 1 17 3611 1 1 2 CYS CA C -4.256 3.234 -3.730 1.00 . A A . 2 CYS CA 1 1 17 3612 1 1 2 CYS CB C -3.253 3.296 -4.858 1.00 . A A . 2 CYS CB 1 1 17 3613 1 1 2 CYS H H -4.167 5.332 -3.677 1.00 . A A . 2 CYS H 1 1 17 3614 1 1 2 CYS HA H -5.095 2.625 -4.031 1.00 . A A . 2 CYS HA 1 1 17 3615 1 1 2 CYS HB2 H -3.482 4.157 -5.460 1.00 . A A . 2 CYS HB2 1 1 17 3616 1 1 2 CYS HB3 H -2.285 3.464 -4.410 1.00 . A A . 2 CYS HB3 1 1 17 3617 1 1 2 CYS N N -4.733 4.570 -3.421 1.00 . A A . 2 CYS N 1 1 17 3618 1 1 2 CYS O O -3.729 1.473 -2.233 1.00 . A A . 2 CYS O 1 1 17 3619 1 1 2 CYS SG S -3.146 1.772 -5.877 1.00 . A A . 2 CYS SG 1 1 17 3620 1 1 3 CYS C C -3.362 2.787 0.599 1.00 . A A . 3 CYS C 1 1 17 3621 1 1 3 CYS CA C -2.308 3.046 -0.511 1.00 . A A . 3 CYS CA 1 1 17 3622 1 1 3 CYS CB C -1.239 4.072 -0.080 1.00 . A A . 3 CYS CB 1 1 17 3623 1 1 3 CYS H H -2.933 4.418 -2.039 1.00 . A A . 3 CYS H 1 1 17 3624 1 1 3 CYS HA H -1.832 2.102 -0.735 1.00 . A A . 3 CYS HA 1 1 17 3625 1 1 3 CYS HB2 H -0.614 4.296 -0.931 1.00 . A A . 3 CYS HB2 1 1 17 3626 1 1 3 CYS HB3 H -1.732 4.981 0.232 1.00 . A A . 3 CYS HB3 1 1 17 3627 1 1 3 CYS N N -2.970 3.482 -1.740 1.00 . A A . 3 CYS N 1 1 17 3628 1 1 3 CYS O O -3.052 2.344 1.704 1.00 . A A . 3 CYS O 1 1 17 3629 1 1 3 CYS SG S -0.141 3.532 1.286 1.00 . A A . 3 CYS SG 1 1 17 3630 1 1 4 SER C C -6.190 1.316 0.841 1.00 . A A . 4 SER C 1 1 17 3631 1 1 4 SER CA C -5.710 2.743 1.168 1.00 . A A . 4 SER CA 1 1 17 3632 1 1 4 SER CB C -6.847 3.778 0.996 1.00 . A A . 4 SER CB 1 1 17 3633 1 1 4 SER H H -4.797 3.495 -0.576 1.00 . A A . 4 SER H 1 1 17 3634 1 1 4 SER HA H -5.340 2.764 2.183 1.00 . A A . 4 SER HA 1 1 17 3635 1 1 4 SER HB2 H -6.442 4.771 1.117 1.00 . A A . 4 SER HB2 1 1 17 3636 1 1 4 SER HB3 H -7.256 3.685 0.001 1.00 . A A . 4 SER HB3 1 1 17 3637 1 1 4 SER HG H -7.703 2.889 2.564 1.00 . A A . 4 SER HG 1 1 17 3638 1 1 4 SER N N -4.616 3.056 0.282 1.00 . A A . 4 SER N 1 1 17 3639 1 1 4 SER O O -6.999 0.728 1.560 1.00 . A A . 4 SER O 1 1 17 3640 1 1 4 SER OG O -7.910 3.608 1.949 1.00 . A A . 4 SER OG 1 1 17 3641 1 1 5 ASP C C -4.804 -1.473 -0.278 1.00 . A A . 5 ASP C 1 1 17 3642 1 1 5 ASP CA C -5.954 -0.569 -0.690 1.00 . A A . 5 ASP CA 1 1 17 3643 1 1 5 ASP CB C -6.119 -0.582 -2.218 1.00 . A A . 5 ASP CB 1 1 17 3644 1 1 5 ASP CG C -6.216 -1.970 -2.798 1.00 . A A . 5 ASP CG 1 1 17 3645 1 1 5 ASP H H -4.994 1.269 -0.763 1.00 . A A . 5 ASP H 1 1 17 3646 1 1 5 ASP HA H -6.871 -0.896 -0.225 1.00 . A A . 5 ASP HA 1 1 17 3647 1 1 5 ASP HB2 H -7.019 -0.046 -2.479 1.00 . A A . 5 ASP HB2 1 1 17 3648 1 1 5 ASP HB3 H -5.272 -0.080 -2.664 1.00 . A A . 5 ASP HB3 1 1 17 3649 1 1 5 ASP N N -5.661 0.775 -0.239 1.00 . A A . 5 ASP N 1 1 17 3650 1 1 5 ASP O O -3.673 -1.232 -0.677 1.00 . A A . 5 ASP O 1 1 17 3651 1 1 5 ASP OD1 O -7.311 -2.585 -2.731 1.00 . A A . 5 ASP OD1 1 1 17 3652 1 1 5 ASP OD2 O -5.215 -2.470 -3.349 1.00 . A A . 5 ASP OD2 1 1 17 3653 1 1 6 PRO C C -3.082 -4.009 0.025 1.00 . A A . 6 PRO C 1 1 17 3654 1 1 6 PRO CA C -4.029 -3.396 1.084 1.00 . A A . 6 PRO CA 1 1 17 3655 1 1 6 PRO CB C -4.788 -4.453 1.886 1.00 . A A . 6 PRO CB 1 1 17 3656 1 1 6 PRO CD C -6.389 -2.827 1.124 1.00 . A A . 6 PRO CD 1 1 17 3657 1 1 6 PRO CG C -6.072 -3.791 2.243 1.00 . A A . 6 PRO CG 1 1 17 3658 1 1 6 PRO HA H -3.378 -2.846 1.745 1.00 . A A . 6 PRO HA 1 1 17 3659 1 1 6 PRO HB2 H -4.938 -5.341 1.289 1.00 . A A . 6 PRO HB2 1 1 17 3660 1 1 6 PRO HB3 H -4.224 -4.712 2.771 1.00 . A A . 6 PRO HB3 1 1 17 3661 1 1 6 PRO HD2 H -7.006 -3.303 0.377 1.00 . A A . 6 PRO HD2 1 1 17 3662 1 1 6 PRO HD3 H -6.880 -1.950 1.519 1.00 . A A . 6 PRO HD3 1 1 17 3663 1 1 6 PRO HG2 H -6.851 -4.533 2.327 1.00 . A A . 6 PRO HG2 1 1 17 3664 1 1 6 PRO HG3 H -5.964 -3.259 3.176 1.00 . A A . 6 PRO HG3 1 1 17 3665 1 1 6 PRO N N -5.065 -2.489 0.570 1.00 . A A . 6 PRO N 1 1 17 3666 1 1 6 PRO O O -1.886 -3.946 0.227 1.00 . A A . 6 PRO O 1 1 17 3667 1 1 7 PRO C C -1.721 -3.984 -2.672 1.00 . A A . 7 PRO C 1 1 17 3668 1 1 7 PRO CA C -2.634 -5.107 -2.143 1.00 . A A . 7 PRO CA 1 1 17 3669 1 1 7 PRO CB C -3.555 -5.620 -3.246 1.00 . A A . 7 PRO CB 1 1 17 3670 1 1 7 PRO CD C -4.959 -4.927 -1.453 1.00 . A A . 7 PRO CD 1 1 17 3671 1 1 7 PRO CG C -4.825 -5.940 -2.551 1.00 . A A . 7 PRO CG 1 1 17 3672 1 1 7 PRO HA H -2.018 -5.908 -1.761 1.00 . A A . 7 PRO HA 1 1 17 3673 1 1 7 PRO HB2 H -3.687 -4.848 -3.986 1.00 . A A . 7 PRO HB2 1 1 17 3674 1 1 7 PRO HB3 H -3.123 -6.498 -3.705 1.00 . A A . 7 PRO HB3 1 1 17 3675 1 1 7 PRO HD2 H -5.472 -4.048 -1.816 1.00 . A A . 7 PRO HD2 1 1 17 3676 1 1 7 PRO HD3 H -5.485 -5.352 -0.611 1.00 . A A . 7 PRO HD3 1 1 17 3677 1 1 7 PRO HG2 H -5.649 -5.856 -3.242 1.00 . A A . 7 PRO HG2 1 1 17 3678 1 1 7 PRO HG3 H -4.778 -6.937 -2.140 1.00 . A A . 7 PRO HG3 1 1 17 3679 1 1 7 PRO N N -3.555 -4.615 -1.108 1.00 . A A . 7 PRO N 1 1 17 3680 1 1 7 PRO O O -0.511 -4.160 -2.781 1.00 . A A . 7 PRO O 1 1 17 3681 1 1 8 CYS C C -0.734 -0.963 -2.283 1.00 . A A . 8 CYS C 1 1 17 3682 1 1 8 CYS CA C -1.525 -1.669 -3.420 1.00 . A A . 8 CYS CA 1 1 17 3683 1 1 8 CYS CB C -2.463 -0.682 -4.162 1.00 . A A . 8 CYS CB 1 1 17 3684 1 1 8 CYS H H -3.256 -2.693 -2.740 1.00 . A A . 8 CYS H 1 1 17 3685 1 1 8 CYS HA H -0.806 -2.066 -4.120 1.00 . A A . 8 CYS HA 1 1 17 3686 1 1 8 CYS HB2 H -3.040 -1.231 -4.891 1.00 . A A . 8 CYS HB2 1 1 17 3687 1 1 8 CYS HB3 H -3.139 -0.245 -3.442 1.00 . A A . 8 CYS HB3 1 1 17 3688 1 1 8 CYS N N -2.290 -2.809 -2.903 1.00 . A A . 8 CYS N 1 1 17 3689 1 1 8 CYS O O -0.113 0.086 -2.478 1.00 . A A . 8 CYS O 1 1 17 3690 1 1 8 CYS SG S -1.625 0.697 -5.057 1.00 . A A . 8 CYS SG 1 1 17 3691 1 1 9 ARG C C 1.039 -1.982 0.481 1.00 . A A . 9 ARG C 1 1 17 3692 1 1 9 ARG CA C -0.019 -1.001 0.017 1.00 . A A . 9 ARG CA 1 1 17 3693 1 1 9 ARG CB C -1.008 -0.779 1.129 1.00 . A A . 9 ARG CB 1 1 17 3694 1 1 9 ARG CD C -1.594 0.189 3.317 1.00 . A A . 9 ARG CD 1 1 17 3695 1 1 9 ARG CG C -0.491 0.010 2.299 1.00 . A A . 9 ARG CG 1 1 17 3696 1 1 9 ARG CZ C -1.966 1.819 5.141 1.00 . A A . 9 ARG CZ 1 1 17 3697 1 1 9 ARG H H -1.274 -2.364 -0.987 1.00 . A A . 9 ARG H 1 1 17 3698 1 1 9 ARG HA H 0.439 -0.060 -0.251 1.00 . A A . 9 ARG HA 1 1 17 3699 1 1 9 ARG HB2 H -1.893 -0.327 0.717 1.00 . A A . 9 ARG HB2 1 1 17 3700 1 1 9 ARG HB3 H -1.293 -1.757 1.489 1.00 . A A . 9 ARG HB3 1 1 17 3701 1 1 9 ARG HD2 H -2.408 0.715 2.841 1.00 . A A . 9 ARG HD2 1 1 17 3702 1 1 9 ARG HD3 H -1.942 -0.787 3.617 1.00 . A A . 9 ARG HD3 1 1 17 3703 1 1 9 ARG HE H -0.313 0.676 4.886 1.00 . A A . 9 ARG HE 1 1 17 3704 1 1 9 ARG HG2 H 0.348 -0.518 2.728 1.00 . A A . 9 ARG HG2 1 1 17 3705 1 1 9 ARG HG3 H -0.171 0.973 1.931 1.00 . A A . 9 ARG HG3 1 1 17 3706 1 1 9 ARG HH11 H -3.261 2.088 3.573 1.00 . A A . 9 ARG HH11 1 1 17 3707 1 1 9 ARG HH12 H -3.664 2.969 4.977 1.00 . A A . 9 ARG HH12 1 1 17 3708 1 1 9 ARG HH21 H -0.773 1.969 6.779 1.00 . A A . 9 ARG HH21 1 1 17 3709 1 1 9 ARG HH22 H -2.207 2.906 6.850 1.00 . A A . 9 ARG HH22 1 1 17 3710 1 1 9 ARG N N -0.734 -1.554 -1.111 1.00 . A A . 9 ARG N 1 1 17 3711 1 1 9 ARG NE N -1.188 0.936 4.509 1.00 . A A . 9 ARG NE 1 1 17 3712 1 1 9 ARG NH1 N -3.031 2.336 4.521 1.00 . A A . 9 ARG NH1 1 1 17 3713 1 1 9 ARG NH2 N -1.622 2.272 6.336 1.00 . A A . 9 ARG NH2 1 1 17 3714 1 1 9 ARG O O 2.190 -1.634 0.669 1.00 . A A . 9 ARG O 1 1 17 3715 1 1 10 ASN C C 2.604 -4.655 0.162 1.00 . A A . 10 ASN C 1 1 17 3716 1 1 10 ASN CA C 1.464 -4.320 1.119 1.00 . A A . 10 ASN CA 1 1 17 3717 1 1 10 ASN CB C 0.596 -5.558 1.418 1.00 . A A . 10 ASN CB 1 1 17 3718 1 1 10 ASN CG C 1.367 -6.725 2.011 1.00 . A A . 10 ASN CG 1 1 17 3719 1 1 10 ASN H H -0.329 -3.372 0.425 1.00 . A A . 10 ASN H 1 1 17 3720 1 1 10 ASN HA H 1.913 -3.987 2.040 1.00 . A A . 10 ASN HA 1 1 17 3721 1 1 10 ASN HB2 H -0.182 -5.283 2.115 1.00 . A A . 10 ASN HB2 1 1 17 3722 1 1 10 ASN HB3 H 0.135 -5.885 0.496 1.00 . A A . 10 ASN HB3 1 1 17 3723 1 1 10 ASN HD21 H 1.063 -6.031 3.834 1.00 . A A . 10 ASN HD21 1 1 17 3724 1 1 10 ASN HD22 H 1.981 -7.481 3.738 1.00 . A A . 10 ASN HD22 1 1 17 3725 1 1 10 ASN N N 0.622 -3.212 0.626 1.00 . A A . 10 ASN N 1 1 17 3726 1 1 10 ASN ND2 N 1.479 -6.753 3.313 1.00 . A A . 10 ASN ND2 1 1 17 3727 1 1 10 ASN O O 3.635 -5.184 0.564 1.00 . A A . 10 ASN O 1 1 17 3728 1 1 10 ASN OD1 O 1.848 -7.602 1.292 1.00 . A A . 10 ASN OD1 1 1 17 3729 1 1 11 LYS C C 4.366 -3.277 -2.125 1.00 . A A . 11 LYS C 1 1 17 3730 1 1 11 LYS CA C 3.453 -4.487 -2.091 1.00 . A A . 11 LYS CA 1 1 17 3731 1 1 11 LYS CB C 2.781 -4.625 -3.440 1.00 . A A . 11 LYS CB 1 1 17 3732 1 1 11 LYS CD C 1.297 -5.909 -4.968 1.00 . A A . 11 LYS CD 1 1 17 3733 1 1 11 LYS CE C 0.409 -7.117 -5.128 1.00 . A A . 11 LYS CE 1 1 17 3734 1 1 11 LYS CG C 1.957 -5.883 -3.610 1.00 . A A . 11 LYS CG 1 1 17 3735 1 1 11 LYS H H 1.592 -3.889 -1.377 1.00 . A A . 11 LYS H 1 1 17 3736 1 1 11 LYS HA H 4.012 -5.385 -1.880 1.00 . A A . 11 LYS HA 1 1 17 3737 1 1 11 LYS HB2 H 2.123 -3.775 -3.555 1.00 . A A . 11 LYS HB2 1 1 17 3738 1 1 11 LYS HB3 H 3.523 -4.559 -4.213 1.00 . A A . 11 LYS HB3 1 1 17 3739 1 1 11 LYS HD2 H 0.698 -5.019 -5.086 1.00 . A A . 11 LYS HD2 1 1 17 3740 1 1 11 LYS HD3 H 2.065 -5.934 -5.727 1.00 . A A . 11 LYS HD3 1 1 17 3741 1 1 11 LYS HE2 H 1.008 -8.007 -5.010 1.00 . A A . 11 LYS HE2 1 1 17 3742 1 1 11 LYS HE3 H -0.354 -7.092 -4.364 1.00 . A A . 11 LYS HE3 1 1 17 3743 1 1 11 LYS HG2 H 2.599 -6.744 -3.515 1.00 . A A . 11 LYS HG2 1 1 17 3744 1 1 11 LYS HG3 H 1.194 -5.910 -2.847 1.00 . A A . 11 LYS HG3 1 1 17 3745 1 1 11 LYS HZ1 H 0.462 -7.195 -7.222 1.00 . A A . 11 LYS HZ1 1 1 17 3746 1 1 11 LYS HZ2 H -0.839 -6.315 -6.596 1.00 . A A . 11 LYS HZ2 1 1 17 3747 1 1 11 LYS HZ3 H -0.856 -7.974 -6.525 1.00 . A A . 11 LYS HZ3 1 1 17 3748 1 1 11 LYS N N 2.435 -4.292 -1.085 1.00 . A A . 11 LYS N 1 1 17 3749 1 1 11 LYS NZ N -0.233 -7.146 -6.449 1.00 . A A . 11 LYS NZ 1 1 17 3750 1 1 11 LYS O O 5.354 -3.222 -2.876 1.00 . A A . 11 LYS O 1 1 17 3751 1 1 12 HIS C C 5.117 -0.669 0.163 1.00 . A A . 12 HIS C 1 1 17 3752 1 1 12 HIS CA C 4.749 -1.065 -1.268 1.00 . A A . 12 HIS CA 1 1 17 3753 1 1 12 HIS CB C 3.859 0.024 -1.902 1.00 . A A . 12 HIS CB 1 1 17 3754 1 1 12 HIS CD2 C 2.417 -0.880 -3.823 1.00 . A A . 12 HIS CD2 1 1 17 3755 1 1 12 HIS CE1 C 3.756 -0.522 -5.474 1.00 . A A . 12 HIS CE1 1 1 17 3756 1 1 12 HIS CG C 3.508 -0.272 -3.318 1.00 . A A . 12 HIS CG 1 1 17 3757 1 1 12 HIS H H 3.313 -2.443 -0.656 1.00 . A A . 12 HIS H 1 1 17 3758 1 1 12 HIS HA H 5.641 -1.155 -1.866 1.00 . A A . 12 HIS HA 1 1 17 3759 1 1 12 HIS HB2 H 2.934 0.066 -1.344 1.00 . A A . 12 HIS HB2 1 1 17 3760 1 1 12 HIS HB3 H 4.333 0.991 -1.852 1.00 . A A . 12 HIS HB3 1 1 17 3761 1 1 12 HIS HD1 H 5.224 0.398 -4.326 1.00 . A A . 12 HIS HD1 1 1 17 3762 1 1 12 HIS HD2 H 1.570 -1.204 -3.234 1.00 . A A . 12 HIS HD2 1 1 17 3763 1 1 12 HIS HE1 H 4.188 -0.512 -6.462 1.00 . A A . 12 HIS HE1 1 1 17 3764 1 1 12 HIS N N 4.046 -2.314 -1.298 1.00 . A A . 12 HIS N 1 1 17 3765 1 1 12 HIS ND1 N 4.346 -0.044 -4.377 1.00 . A A . 12 HIS ND1 1 1 17 3766 1 1 12 HIS NE2 N 2.573 -1.039 -5.190 1.00 . A A . 12 HIS NE2 1 1 17 3767 1 1 12 HIS O O 4.871 0.465 0.557 1.00 . A A . 12 HIS O 1 1 17 3768 1 1 13 PRO C C 7.216 -0.129 2.386 1.00 . A A . 13 PRO C 1 1 17 3769 1 1 13 PRO CA C 6.145 -1.216 2.351 1.00 . A A . 13 PRO CA 1 1 17 3770 1 1 13 PRO CB C 6.687 -2.528 2.928 1.00 . A A . 13 PRO CB 1 1 17 3771 1 1 13 PRO CD C 6.267 -2.926 0.620 1.00 . A A . 13 PRO CD 1 1 17 3772 1 1 13 PRO CG C 7.188 -3.277 1.748 1.00 . A A . 13 PRO CG 1 1 17 3773 1 1 13 PRO HA H 5.284 -0.882 2.910 1.00 . A A . 13 PRO HA 1 1 17 3774 1 1 13 PRO HB2 H 7.479 -2.315 3.632 1.00 . A A . 13 PRO HB2 1 1 17 3775 1 1 13 PRO HB3 H 5.893 -3.065 3.424 1.00 . A A . 13 PRO HB3 1 1 17 3776 1 1 13 PRO HD2 H 6.799 -2.926 -0.318 1.00 . A A . 13 PRO HD2 1 1 17 3777 1 1 13 PRO HD3 H 5.439 -3.619 0.580 1.00 . A A . 13 PRO HD3 1 1 17 3778 1 1 13 PRO HG2 H 8.198 -2.967 1.519 1.00 . A A . 13 PRO HG2 1 1 17 3779 1 1 13 PRO HG3 H 7.157 -4.339 1.943 1.00 . A A . 13 PRO HG3 1 1 17 3780 1 1 13 PRO N N 5.788 -1.558 0.972 1.00 . A A . 13 PRO N 1 1 17 3781 1 1 13 PRO O O 7.508 0.440 3.427 1.00 . A A . 13 PRO O 1 1 17 3782 1 1 14 ASP C C 8.170 2.563 1.206 1.00 . A A . 14 ASP C 1 1 17 3783 1 1 14 ASP CA C 8.780 1.169 1.085 1.00 . A A . 14 ASP CA 1 1 17 3784 1 1 14 ASP CB C 9.517 1.021 -0.244 1.00 . A A . 14 ASP CB 1 1 17 3785 1 1 14 ASP CG C 10.570 2.087 -0.430 1.00 . A A . 14 ASP CG 1 1 17 3786 1 1 14 ASP H H 7.482 -0.359 0.448 1.00 . A A . 14 ASP H 1 1 17 3787 1 1 14 ASP HA H 9.489 1.035 1.889 1.00 . A A . 14 ASP HA 1 1 17 3788 1 1 14 ASP HB2 H 9.998 0.055 -0.282 1.00 . A A . 14 ASP HB2 1 1 17 3789 1 1 14 ASP HB3 H 8.805 1.098 -1.052 1.00 . A A . 14 ASP HB3 1 1 17 3790 1 1 14 ASP N N 7.774 0.155 1.229 1.00 . A A . 14 ASP N 1 1 17 3791 1 1 14 ASP O O 8.596 3.357 2.051 1.00 . A A . 14 ASP O 1 1 17 3792 1 1 14 ASP OD1 O 11.657 1.980 0.172 1.00 . A A . 14 ASP OD1 1 1 17 3793 1 1 14 ASP OD2 O 10.317 3.062 -1.151 1.00 . A A . 14 ASP OD2 1 1 17 3794 1 1 15 LEU C C 5.305 4.193 1.317 1.00 . A A . 15 LEU C 1 1 17 3795 1 1 15 LEU CA C 6.544 4.163 0.418 1.00 . A A . 15 LEU CA 1 1 17 3796 1 1 15 LEU CB C 6.288 4.725 -1.015 1.00 . A A . 15 LEU CB 1 1 17 3797 1 1 15 LEU CD1 C 3.861 4.306 -1.637 1.00 . A A . 15 LEU CD1 1 1 17 3798 1 1 15 LEU CD2 C 5.618 4.277 -3.406 1.00 . A A . 15 LEU CD2 1 1 17 3799 1 1 15 LEU CG C 5.309 3.973 -1.950 1.00 . A A . 15 LEU CG 1 1 17 3800 1 1 15 LEU H H 6.844 2.196 -0.256 1.00 . A A . 15 LEU H 1 1 17 3801 1 1 15 LEU HA H 7.295 4.773 0.890 1.00 . A A . 15 LEU HA 1 1 17 3802 1 1 15 LEU HB2 H 5.917 5.732 -0.907 1.00 . A A . 15 LEU HB2 1 1 17 3803 1 1 15 LEU HB3 H 7.245 4.783 -1.513 1.00 . A A . 15 LEU HB3 1 1 17 3804 1 1 15 LEU HD11 H 3.699 5.367 -1.762 1.00 . A A . 15 LEU HD11 1 1 17 3805 1 1 15 LEU HD12 H 3.639 4.023 -0.618 1.00 . A A . 15 LEU HD12 1 1 17 3806 1 1 15 LEU HD13 H 3.216 3.762 -2.311 1.00 . A A . 15 LEU HD13 1 1 17 3807 1 1 15 LEU HD21 H 5.512 5.338 -3.581 1.00 . A A . 15 LEU HD21 1 1 17 3808 1 1 15 LEU HD22 H 4.929 3.739 -4.040 1.00 . A A . 15 LEU HD22 1 1 17 3809 1 1 15 LEU HD23 H 6.629 3.975 -3.634 1.00 . A A . 15 LEU HD23 1 1 17 3810 1 1 15 LEU HG H 5.421 2.910 -1.795 1.00 . A A . 15 LEU HG 1 1 17 3811 1 1 15 LEU N N 7.163 2.856 0.387 1.00 . A A . 15 LEU N 1 1 17 3812 1 1 15 LEU O O 4.918 5.241 1.820 1.00 . A A . 15 LEU O 1 1 17 3813 1 1 16 CYS C C 4.005 2.314 3.710 1.00 . A A . 16 CYS C 1 1 17 3814 1 1 16 CYS CA C 3.565 2.917 2.372 1.00 . A A . 16 CYS CA 1 1 17 3815 1 1 16 CYS CB C 2.486 2.060 1.709 1.00 . A A . 16 CYS CB 1 1 17 3816 1 1 16 CYS H H 4.950 2.214 1.059 1.00 . A A . 16 CYS H 1 1 17 3817 1 1 16 CYS HA H 3.167 3.906 2.547 1.00 . A A . 16 CYS HA 1 1 17 3818 1 1 16 CYS HB2 H 2.997 1.223 1.252 1.00 . A A . 16 CYS HB2 1 1 17 3819 1 1 16 CYS HB3 H 1.812 1.701 2.464 1.00 . A A . 16 CYS HB3 1 1 17 3820 1 1 16 CYS N N 4.688 3.047 1.505 1.00 . A A . 16 CYS N 1 1 17 3821 1 1 16 CYS O O 4.346 3.036 4.642 1.00 . A A . 16 CYS O 1 1 17 3822 1 1 16 CYS SG S 1.543 2.860 0.365 1.00 . A A . 16 CYS SG 1 1 17 3823 1 1 17 NH2 HN1 H 3.741 0.456 3.046 1.00 . A A . 17 NH2 HN1 1 1 17 3824 1 1 17 NH2 HN2 H 4.312 0.610 4.660 1.00 . A A . 17 NH2 HN2 1 1 17 3825 1 1 17 NH2 N N 4.022 1.003 3.810 1.00 . A A . 17 NH2 N 1 1 18 3826 1 1 1 GLY C C -4.147 4.332 -2.886 1.00 . A A . 1 GLY C 1 1 18 3827 1 1 1 GLY CA C -4.516 5.718 -3.360 1.00 . A A . 1 GLY CA 1 1 18 3828 1 1 1 GLY H1 H -6.522 5.509 -2.912 1.00 . A A . 1 GLY H1 1 1 18 3829 1 1 1 GLY H2 H -6.035 7.111 -3.126 1.00 . A A . 1 GLY H2 1 1 18 3830 1 1 1 GLY H3 H -5.620 6.283 -1.710 1.00 . A A . 1 GLY H3 1 1 18 3831 1 1 1 GLY HA2 H -4.649 5.687 -4.430 1.00 . A A . 1 GLY HA2 1 1 18 3832 1 1 1 GLY HA3 H -3.715 6.400 -3.121 1.00 . A A . 1 GLY HA3 1 1 18 3833 1 1 1 GLY N N -5.757 6.188 -2.735 1.00 . A A . 1 GLY N 1 1 18 3834 1 1 1 GLY O O -4.902 3.710 -2.140 1.00 . A A . 1 GLY O 1 1 18 3835 1 1 2 CYS C C -2.290 2.290 -1.531 1.00 . A A . 2 CYS C 1 1 18 3836 1 1 2 CYS CA C -2.479 2.519 -3.012 1.00 . A A . 2 CYS CA 1 1 18 3837 1 1 2 CYS CB C -1.144 2.345 -3.691 1.00 . A A . 2 CYS CB 1 1 18 3838 1 1 2 CYS H H -2.387 4.479 -3.797 1.00 . A A . 2 CYS H 1 1 18 3839 1 1 2 CYS HA H -3.170 1.797 -3.422 1.00 . A A . 2 CYS HA 1 1 18 3840 1 1 2 CYS HB2 H -1.180 2.815 -4.655 1.00 . A A . 2 CYS HB2 1 1 18 3841 1 1 2 CYS HB3 H -0.431 2.902 -3.099 1.00 . A A . 2 CYS HB3 1 1 18 3842 1 1 2 CYS N N -2.970 3.878 -3.282 1.00 . A A . 2 CYS N 1 1 18 3843 1 1 2 CYS O O -2.594 1.238 -1.000 1.00 . A A . 2 CYS O 1 1 18 3844 1 1 2 CYS SG S -0.543 0.630 -3.788 1.00 . A A . 2 CYS SG 1 1 18 3845 1 1 3 CYS C C -2.845 3.016 1.384 1.00 . A A . 3 CYS C 1 1 18 3846 1 1 3 CYS CA C -1.541 3.228 0.570 1.00 . A A . 3 CYS CA 1 1 18 3847 1 1 3 CYS CB C -0.793 4.486 1.040 1.00 . A A . 3 CYS CB 1 1 18 3848 1 1 3 CYS H H -1.582 4.088 -1.408 1.00 . A A . 3 CYS H 1 1 18 3849 1 1 3 CYS HA H -0.905 2.366 0.721 1.00 . A A . 3 CYS HA 1 1 18 3850 1 1 3 CYS HB2 H 0.069 4.641 0.408 1.00 . A A . 3 CYS HB2 1 1 18 3851 1 1 3 CYS HB3 H -1.456 5.333 0.946 1.00 . A A . 3 CYS HB3 1 1 18 3852 1 1 3 CYS N N -1.804 3.295 -0.870 1.00 . A A . 3 CYS N 1 1 18 3853 1 1 3 CYS O O -2.821 2.566 2.529 1.00 . A A . 3 CYS O 1 1 18 3854 1 1 3 CYS SG S -0.196 4.428 2.767 1.00 . A A . 3 CYS SG 1 1 18 3855 1 1 4 SER C C -5.907 1.857 0.867 1.00 . A A . 4 SER C 1 1 18 3856 1 1 4 SER CA C -5.230 3.104 1.445 1.00 . A A . 4 SER CA 1 1 18 3857 1 1 4 SER CB C -6.117 4.355 1.278 1.00 . A A . 4 SER CB 1 1 18 3858 1 1 4 SER H H -3.984 3.686 -0.119 1.00 . A A . 4 SER H 1 1 18 3859 1 1 4 SER HA H -5.014 2.957 2.491 1.00 . A A . 4 SER HA 1 1 18 3860 1 1 4 SER HB2 H -5.556 5.215 1.613 1.00 . A A . 4 SER HB2 1 1 18 3861 1 1 4 SER HB3 H -6.370 4.476 0.236 1.00 . A A . 4 SER HB3 1 1 18 3862 1 1 4 SER HG H -7.174 3.652 2.750 1.00 . A A . 4 SER HG 1 1 18 3863 1 1 4 SER N N -3.972 3.311 0.788 1.00 . A A . 4 SER N 1 1 18 3864 1 1 4 SER O O -7.022 1.515 1.241 1.00 . A A . 4 SER O 1 1 18 3865 1 1 4 SER OG O -7.319 4.302 2.047 1.00 . A A . 4 SER OG 1 1 18 3866 1 1 5 ASP C C -4.866 -1.198 -0.491 1.00 . A A . 5 ASP C 1 1 18 3867 1 1 5 ASP CA C -5.771 0.017 -0.682 1.00 . A A . 5 ASP CA 1 1 18 3868 1 1 5 ASP CB C -5.968 0.355 -2.157 1.00 . A A . 5 ASP CB 1 1 18 3869 1 1 5 ASP CG C -6.659 -0.718 -2.956 1.00 . A A . 5 ASP CG 1 1 18 3870 1 1 5 ASP H H -4.275 1.393 -0.204 1.00 . A A . 5 ASP H 1 1 18 3871 1 1 5 ASP HA H -6.734 -0.188 -0.236 1.00 . A A . 5 ASP HA 1 1 18 3872 1 1 5 ASP HB2 H -6.560 1.254 -2.227 1.00 . A A . 5 ASP HB2 1 1 18 3873 1 1 5 ASP HB3 H -4.999 0.542 -2.598 1.00 . A A . 5 ASP HB3 1 1 18 3874 1 1 5 ASP N N -5.210 1.163 -0.002 1.00 . A A . 5 ASP N 1 1 18 3875 1 1 5 ASP O O -3.837 -1.336 -1.163 1.00 . A A . 5 ASP O 1 1 18 3876 1 1 5 ASP OD1 O -7.850 -1.004 -2.696 1.00 . A A . 5 ASP OD1 1 1 18 3877 1 1 5 ASP OD2 O -6.067 -1.218 -3.929 1.00 . A A . 5 ASP OD2 1 1 18 3878 1 1 6 PRO C C -3.813 -4.108 -0.279 1.00 . A A . 6 PRO C 1 1 18 3879 1 1 6 PRO CA C -4.429 -3.250 0.869 1.00 . A A . 6 PRO CA 1 1 18 3880 1 1 6 PRO CB C -5.379 -4.071 1.741 1.00 . A A . 6 PRO CB 1 1 18 3881 1 1 6 PRO CD C -6.485 -1.996 1.259 1.00 . A A . 6 PRO CD 1 1 18 3882 1 1 6 PRO CG C -6.325 -3.069 2.304 1.00 . A A . 6 PRO CG 1 1 18 3883 1 1 6 PRO HA H -3.602 -2.920 1.480 1.00 . A A . 6 PRO HA 1 1 18 3884 1 1 6 PRO HB2 H -5.887 -4.799 1.126 1.00 . A A . 6 PRO HB2 1 1 18 3885 1 1 6 PRO HB3 H -4.823 -4.572 2.520 1.00 . A A . 6 PRO HB3 1 1 18 3886 1 1 6 PRO HD2 H -7.345 -2.202 0.638 1.00 . A A . 6 PRO HD2 1 1 18 3887 1 1 6 PRO HD3 H -6.581 -1.028 1.730 1.00 . A A . 6 PRO HD3 1 1 18 3888 1 1 6 PRO HG2 H -7.276 -3.537 2.513 1.00 . A A . 6 PRO HG2 1 1 18 3889 1 1 6 PRO HG3 H -5.911 -2.649 3.209 1.00 . A A . 6 PRO HG3 1 1 18 3890 1 1 6 PRO N N -5.231 -2.077 0.469 1.00 . A A . 6 PRO N 1 1 18 3891 1 1 6 PRO O O -2.608 -4.393 -0.216 1.00 . A A . 6 PRO O 1 1 18 3892 1 1 7 PRO C C -2.749 -4.900 -3.020 1.00 . A A . 7 PRO C 1 1 18 3893 1 1 7 PRO CA C -4.081 -5.377 -2.436 1.00 . A A . 7 PRO CA 1 1 18 3894 1 1 7 PRO CB C -5.184 -5.351 -3.506 1.00 . A A . 7 PRO CB 1 1 18 3895 1 1 7 PRO CD C -6.027 -4.243 -1.566 1.00 . A A . 7 PRO CD 1 1 18 3896 1 1 7 PRO CG C -6.166 -4.331 -3.049 1.00 . A A . 7 PRO CG 1 1 18 3897 1 1 7 PRO HA H -3.947 -6.391 -2.090 1.00 . A A . 7 PRO HA 1 1 18 3898 1 1 7 PRO HB2 H -4.754 -5.084 -4.460 1.00 . A A . 7 PRO HB2 1 1 18 3899 1 1 7 PRO HB3 H -5.639 -6.329 -3.577 1.00 . A A . 7 PRO HB3 1 1 18 3900 1 1 7 PRO HD2 H -6.279 -3.252 -1.220 1.00 . A A . 7 PRO HD2 1 1 18 3901 1 1 7 PRO HD3 H -6.644 -4.982 -1.078 1.00 . A A . 7 PRO HD3 1 1 18 3902 1 1 7 PRO HG2 H -5.940 -3.376 -3.499 1.00 . A A . 7 PRO HG2 1 1 18 3903 1 1 7 PRO HG3 H -7.166 -4.640 -3.316 1.00 . A A . 7 PRO HG3 1 1 18 3904 1 1 7 PRO N N -4.599 -4.528 -1.347 1.00 . A A . 7 PRO N 1 1 18 3905 1 1 7 PRO O O -1.847 -5.709 -3.253 1.00 . A A . 7 PRO O 1 1 18 3906 1 1 8 CYS C C -0.418 -2.707 -2.620 1.00 . A A . 8 CYS C 1 1 18 3907 1 1 8 CYS CA C -1.341 -3.145 -3.752 1.00 . A A . 8 CYS CA 1 1 18 3908 1 1 8 CYS CB C -1.511 -2.033 -4.798 1.00 . A A . 8 CYS CB 1 1 18 3909 1 1 8 CYS H H -3.328 -2.983 -3.053 1.00 . A A . 8 CYS H 1 1 18 3910 1 1 8 CYS HA H -0.878 -3.999 -4.226 1.00 . A A . 8 CYS HA 1 1 18 3911 1 1 8 CYS HB2 H -0.539 -1.799 -5.206 1.00 . A A . 8 CYS HB2 1 1 18 3912 1 1 8 CYS HB3 H -2.145 -2.388 -5.595 1.00 . A A . 8 CYS HB3 1 1 18 3913 1 1 8 CYS N N -2.597 -3.612 -3.235 1.00 . A A . 8 CYS N 1 1 18 3914 1 1 8 CYS O O 0.784 -2.886 -2.710 1.00 . A A . 8 CYS O 1 1 18 3915 1 1 8 CYS SG S -2.207 -0.476 -4.166 1.00 . A A . 8 CYS SG 1 1 18 3916 1 1 9 ARG C C 0.755 -2.666 0.177 1.00 . A A . 9 ARG C 1 1 18 3917 1 1 9 ARG CA C -0.259 -1.674 -0.357 1.00 . A A . 9 ARG CA 1 1 18 3918 1 1 9 ARG CB C -1.222 -1.374 0.750 1.00 . A A . 9 ARG CB 1 1 18 3919 1 1 9 ARG CD C -1.626 -0.182 2.918 1.00 . A A . 9 ARG CD 1 1 18 3920 1 1 9 ARG CG C -0.606 -0.584 1.880 1.00 . A A . 9 ARG CG 1 1 18 3921 1 1 9 ARG CZ C -3.482 -1.260 4.156 1.00 . A A . 9 ARG CZ 1 1 18 3922 1 1 9 ARG H H -1.985 -2.184 -1.477 1.00 . A A . 9 ARG H 1 1 18 3923 1 1 9 ARG HA H 0.236 -0.753 -0.637 1.00 . A A . 9 ARG HA 1 1 18 3924 1 1 9 ARG HB2 H -2.096 -0.916 0.327 1.00 . A A . 9 ARG HB2 1 1 18 3925 1 1 9 ARG HB3 H -1.534 -2.329 1.148 1.00 . A A . 9 ARG HB3 1 1 18 3926 1 1 9 ARG HD2 H -1.123 0.372 3.695 1.00 . A A . 9 ARG HD2 1 1 18 3927 1 1 9 ARG HD3 H -2.362 0.455 2.448 1.00 . A A . 9 ARG HD3 1 1 18 3928 1 1 9 ARG HE H -1.827 -2.182 3.476 1.00 . A A . 9 ARG HE 1 1 18 3929 1 1 9 ARG HG2 H 0.145 -1.206 2.343 1.00 . A A . 9 ARG HG2 1 1 18 3930 1 1 9 ARG HG3 H -0.138 0.296 1.462 1.00 . A A . 9 ARG HG3 1 1 18 3931 1 1 9 ARG HH11 H -3.777 0.743 3.841 1.00 . A A . 9 ARG HH11 1 1 18 3932 1 1 9 ARG HH12 H -5.034 -0.027 4.704 1.00 . A A . 9 ARG HH12 1 1 18 3933 1 1 9 ARG HH21 H -3.502 -3.236 4.666 1.00 . A A . 9 ARG HH21 1 1 18 3934 1 1 9 ARG HH22 H -4.857 -2.357 5.198 1.00 . A A . 9 ARG HH22 1 1 18 3935 1 1 9 ARG N N -1.002 -2.212 -1.518 1.00 . A A . 9 ARG N 1 1 18 3936 1 1 9 ARG NE N -2.307 -1.322 3.527 1.00 . A A . 9 ARG NE 1 1 18 3937 1 1 9 ARG NH1 N -4.148 -0.100 4.241 1.00 . A A . 9 ARG NH1 1 1 18 3938 1 1 9 ARG NH2 N -3.983 -2.352 4.707 1.00 . A A . 9 ARG NH2 1 1 18 3939 1 1 9 ARG O O 1.851 -2.294 0.604 1.00 . A A . 9 ARG O 1 1 18 3940 1 1 10 ASN C C 2.549 -5.112 -0.179 1.00 . A A . 10 ASN C 1 1 18 3941 1 1 10 ASN CA C 1.248 -5.024 0.613 1.00 . A A . 10 ASN CA 1 1 18 3942 1 1 10 ASN CB C 0.531 -6.381 0.607 1.00 . A A . 10 ASN CB 1 1 18 3943 1 1 10 ASN CG C -0.408 -6.561 1.777 1.00 . A A . 10 ASN CG 1 1 18 3944 1 1 10 ASN H H -0.570 -4.034 -0.110 1.00 . A A . 10 ASN H 1 1 18 3945 1 1 10 ASN HA H 1.529 -4.789 1.628 1.00 . A A . 10 ASN HA 1 1 18 3946 1 1 10 ASN HB2 H -0.042 -6.471 -0.302 1.00 . A A . 10 ASN HB2 1 1 18 3947 1 1 10 ASN HB3 H 1.271 -7.168 0.637 1.00 . A A . 10 ASN HB3 1 1 18 3948 1 1 10 ASN HD21 H 1.017 -7.424 2.844 1.00 . A A . 10 ASN HD21 1 1 18 3949 1 1 10 ASN HD22 H -0.509 -7.260 3.615 1.00 . A A . 10 ASN HD22 1 1 18 3950 1 1 10 ASN N N 0.367 -3.910 0.172 1.00 . A A . 10 ASN N 1 1 18 3951 1 1 10 ASN ND2 N 0.078 -7.133 2.839 1.00 . A A . 10 ASN ND2 1 1 18 3952 1 1 10 ASN O O 3.554 -5.639 0.305 1.00 . A A . 10 ASN O 1 1 18 3953 1 1 10 ASN OD1 O -1.575 -6.190 1.720 1.00 . A A . 10 ASN OD1 1 1 18 3954 1 1 11 LYS C C 4.451 -3.287 -2.051 1.00 . A A . 11 LYS C 1 1 18 3955 1 1 11 LYS CA C 3.697 -4.583 -2.200 1.00 . A A . 11 LYS CA 1 1 18 3956 1 1 11 LYS CB C 3.281 -4.725 -3.647 1.00 . A A . 11 LYS CB 1 1 18 3957 1 1 11 LYS CD C 2.431 -6.172 -5.510 1.00 . A A . 11 LYS CD 1 1 18 3958 1 1 11 LYS CE C 1.570 -5.055 -6.081 1.00 . A A . 11 LYS CE 1 1 18 3959 1 1 11 LYS CG C 2.617 -6.044 -4.004 1.00 . A A . 11 LYS CG 1 1 18 3960 1 1 11 LYS H H 1.747 -4.146 -1.734 1.00 . A A . 11 LYS H 1 1 18 3961 1 1 11 LYS HA H 4.326 -5.419 -1.944 1.00 . A A . 11 LYS HA 1 1 18 3962 1 1 11 LYS HB2 H 2.578 -3.927 -3.840 1.00 . A A . 11 LYS HB2 1 1 18 3963 1 1 11 LYS HB3 H 4.135 -4.553 -4.273 1.00 . A A . 11 LYS HB3 1 1 18 3964 1 1 11 LYS HD2 H 3.399 -6.148 -5.988 1.00 . A A . 11 LYS HD2 1 1 18 3965 1 1 11 LYS HD3 H 1.959 -7.120 -5.720 1.00 . A A . 11 LYS HD3 1 1 18 3966 1 1 11 LYS HE2 H 0.563 -5.156 -5.704 1.00 . A A . 11 LYS HE2 1 1 18 3967 1 1 11 LYS HE3 H 1.973 -4.104 -5.768 1.00 . A A . 11 LYS HE3 1 1 18 3968 1 1 11 LYS HG2 H 3.239 -6.856 -3.656 1.00 . A A . 11 LYS HG2 1 1 18 3969 1 1 11 LYS HG3 H 1.652 -6.094 -3.523 1.00 . A A . 11 LYS HG3 1 1 18 3970 1 1 11 LYS HZ1 H 0.907 -4.339 -7.908 1.00 . A A . 11 LYS HZ1 1 1 18 3971 1 1 11 LYS HZ2 H 1.183 -6.007 -7.906 1.00 . A A . 11 LYS HZ2 1 1 18 3972 1 1 11 LYS HZ3 H 2.483 -4.924 -7.940 1.00 . A A . 11 LYS HZ3 1 1 18 3973 1 1 11 LYS N N 2.544 -4.584 -1.367 1.00 . A A . 11 LYS N 1 1 18 3974 1 1 11 LYS NZ N 1.532 -5.092 -7.554 1.00 . A A . 11 LYS NZ 1 1 18 3975 1 1 11 LYS O O 5.546 -3.137 -2.579 1.00 . A A . 11 LYS O 1 1 18 3976 1 1 12 HIS C C 4.613 -0.558 0.195 1.00 . A A . 12 HIS C 1 1 18 3977 1 1 12 HIS CA C 4.445 -1.032 -1.242 1.00 . A A . 12 HIS CA 1 1 18 3978 1 1 12 HIS CB C 3.589 -0.032 -2.047 1.00 . A A . 12 HIS CB 1 1 18 3979 1 1 12 HIS CD2 C 2.531 -1.048 -4.169 1.00 . A A . 12 HIS CD2 1 1 18 3980 1 1 12 HIS CE1 C 4.039 -0.535 -5.615 1.00 . A A . 12 HIS CE1 1 1 18 3981 1 1 12 HIS CG C 3.485 -0.363 -3.506 1.00 . A A . 12 HIS CG 1 1 18 3982 1 1 12 HIS H H 3.082 -2.567 -0.785 1.00 . A A . 12 HIS H 1 1 18 3983 1 1 12 HIS HA H 5.420 -1.077 -1.701 1.00 . A A . 12 HIS HA 1 1 18 3984 1 1 12 HIS HB2 H 2.587 -0.045 -1.643 1.00 . A A . 12 HIS HB2 1 1 18 3985 1 1 12 HIS HB3 H 3.987 0.965 -1.945 1.00 . A A . 12 HIS HB3 1 1 18 3986 1 1 12 HIS HD1 H 5.271 0.444 -4.270 1.00 . A A . 12 HIS HD1 1 1 18 3987 1 1 12 HIS HD2 H 1.651 -1.476 -3.708 1.00 . A A . 12 HIS HD2 1 1 18 3988 1 1 12 HIS HE1 H 4.603 -0.459 -6.531 1.00 . A A . 12 HIS HE1 1 1 18 3989 1 1 12 HIS N N 3.882 -2.360 -1.318 1.00 . A A . 12 HIS N 1 1 18 3990 1 1 12 HIS ND1 N 4.434 -0.042 -4.439 1.00 . A A . 12 HIS ND1 1 1 18 3991 1 1 12 HIS NE2 N 2.881 -1.156 -5.507 1.00 . A A . 12 HIS NE2 1 1 18 3992 1 1 12 HIS O O 3.796 0.212 0.708 1.00 . A A . 12 HIS O 1 1 18 3993 1 1 13 PRO C C 6.894 0.557 2.280 1.00 . A A . 13 PRO C 1 1 18 3994 1 1 13 PRO CA C 5.913 -0.621 2.254 1.00 . A A . 13 PRO CA 1 1 18 3995 1 1 13 PRO CB C 6.532 -1.873 2.879 1.00 . A A . 13 PRO CB 1 1 18 3996 1 1 13 PRO CD C 6.596 -2.101 0.462 1.00 . A A . 13 PRO CD 1 1 18 3997 1 1 13 PRO CG C 7.250 -2.557 1.751 1.00 . A A . 13 PRO CG 1 1 18 3998 1 1 13 PRO HA H 5.011 -0.350 2.781 1.00 . A A . 13 PRO HA 1 1 18 3999 1 1 13 PRO HB2 H 7.208 -1.590 3.671 1.00 . A A . 13 PRO HB2 1 1 18 4000 1 1 13 PRO HB3 H 5.747 -2.501 3.276 1.00 . A A . 13 PRO HB3 1 1 18 4001 1 1 13 PRO HD2 H 7.333 -1.691 -0.212 1.00 . A A . 13 PRO HD2 1 1 18 4002 1 1 13 PRO HD3 H 6.072 -2.920 -0.010 1.00 . A A . 13 PRO HD3 1 1 18 4003 1 1 13 PRO HG2 H 8.292 -2.273 1.759 1.00 . A A . 13 PRO HG2 1 1 18 4004 1 1 13 PRO HG3 H 7.158 -3.628 1.859 1.00 . A A . 13 PRO HG3 1 1 18 4005 1 1 13 PRO N N 5.640 -1.048 0.900 1.00 . A A . 13 PRO N 1 1 18 4006 1 1 13 PRO O O 7.120 1.170 3.312 1.00 . A A . 13 PRO O 1 1 18 4007 1 1 14 ASP C C 7.832 3.322 1.141 1.00 . A A . 14 ASP C 1 1 18 4008 1 1 14 ASP CA C 8.438 1.935 1.010 1.00 . A A . 14 ASP CA 1 1 18 4009 1 1 14 ASP CB C 9.224 1.807 -0.289 1.00 . A A . 14 ASP CB 1 1 18 4010 1 1 14 ASP CG C 10.197 2.938 -0.492 1.00 . A A . 14 ASP CG 1 1 18 4011 1 1 14 ASP H H 7.145 0.396 0.321 1.00 . A A . 14 ASP H 1 1 18 4012 1 1 14 ASP HA H 9.123 1.798 1.834 1.00 . A A . 14 ASP HA 1 1 18 4013 1 1 14 ASP HB2 H 9.775 0.879 -0.288 1.00 . A A . 14 ASP HB2 1 1 18 4014 1 1 14 ASP HB3 H 8.531 1.805 -1.116 1.00 . A A . 14 ASP HB3 1 1 18 4015 1 1 14 ASP N N 7.436 0.887 1.119 1.00 . A A . 14 ASP N 1 1 18 4016 1 1 14 ASP O O 8.235 4.100 2.004 1.00 . A A . 14 ASP O 1 1 18 4017 1 1 14 ASP OD1 O 11.282 2.924 0.116 1.00 . A A . 14 ASP OD1 1 1 18 4018 1 1 14 ASP OD2 O 9.898 3.857 -1.281 1.00 . A A . 14 ASP OD2 1 1 18 4019 1 1 15 LEU C C 5.046 4.905 1.342 1.00 . A A . 15 LEU C 1 1 18 4020 1 1 15 LEU CA C 6.233 4.946 0.386 1.00 . A A . 15 LEU CA 1 1 18 4021 1 1 15 LEU CB C 5.801 5.517 -0.994 1.00 . A A . 15 LEU CB 1 1 18 4022 1 1 15 LEU CD1 C 4.215 5.740 -2.927 1.00 . A A . 15 LEU CD1 1 1 18 4023 1 1 15 LEU CD2 C 4.614 3.483 -1.979 1.00 . A A . 15 LEU CD2 1 1 18 4024 1 1 15 LEU CG C 4.512 4.965 -1.658 1.00 . A A . 15 LEU CG 1 1 18 4025 1 1 15 LEU H H 6.597 3.031 -0.415 1.00 . A A . 15 LEU H 1 1 18 4026 1 1 15 LEU HA H 6.995 5.581 0.805 1.00 . A A . 15 LEU HA 1 1 18 4027 1 1 15 LEU HB2 H 5.668 6.583 -0.878 1.00 . A A . 15 LEU HB2 1 1 18 4028 1 1 15 LEU HB3 H 6.621 5.363 -1.679 1.00 . A A . 15 LEU HB3 1 1 18 4029 1 1 15 LEU HD11 H 4.065 6.782 -2.687 1.00 . A A . 15 LEU HD11 1 1 18 4030 1 1 15 LEU HD12 H 3.323 5.344 -3.389 1.00 . A A . 15 LEU HD12 1 1 18 4031 1 1 15 LEU HD13 H 5.045 5.644 -3.611 1.00 . A A . 15 LEU HD13 1 1 18 4032 1 1 15 LEU HD21 H 5.421 3.319 -2.676 1.00 . A A . 15 LEU HD21 1 1 18 4033 1 1 15 LEU HD22 H 3.686 3.149 -2.419 1.00 . A A . 15 LEU HD22 1 1 18 4034 1 1 15 LEU HD23 H 4.801 2.932 -1.070 1.00 . A A . 15 LEU HD23 1 1 18 4035 1 1 15 LEU HG H 3.683 5.121 -0.982 1.00 . A A . 15 LEU HG 1 1 18 4036 1 1 15 LEU N N 6.859 3.643 0.300 1.00 . A A . 15 LEU N 1 1 18 4037 1 1 15 LEU O O 4.548 5.941 1.788 1.00 . A A . 15 LEU O 1 1 18 4038 1 1 16 CYS C C 3.926 2.662 3.729 1.00 . A A . 16 CYS C 1 1 18 4039 1 1 16 CYS CA C 3.501 3.535 2.563 1.00 . A A . 16 CYS CA 1 1 18 4040 1 1 16 CYS CB C 2.295 2.926 1.826 1.00 . A A . 16 CYS CB 1 1 18 4041 1 1 16 CYS H H 5.070 2.925 1.316 1.00 . A A . 16 CYS H 1 1 18 4042 1 1 16 CYS HA H 3.227 4.508 2.944 1.00 . A A . 16 CYS HA 1 1 18 4043 1 1 16 CYS HB2 H 2.011 3.580 1.015 1.00 . A A . 16 CYS HB2 1 1 18 4044 1 1 16 CYS HB3 H 2.581 1.967 1.421 1.00 . A A . 16 CYS HB3 1 1 18 4045 1 1 16 CYS N N 4.613 3.716 1.669 1.00 . A A . 16 CYS N 1 1 18 4046 1 1 16 CYS O O 3.878 1.430 3.653 1.00 . A A . 16 CYS O 1 1 18 4047 1 1 16 CYS SG S 0.817 2.672 2.875 1.00 . A A . 16 CYS SG 1 1 18 4048 1 1 17 NH2 HN1 H 4.396 4.269 4.771 1.00 . A A . 17 NH2 HN1 1 1 18 4049 1 1 17 NH2 HN2 H 4.709 2.754 5.541 1.00 . A A . 17 NH2 HN2 1 1 18 4050 1 1 17 NH2 N N 4.388 3.288 4.783 1.00 . A A . 17 NH2 N 1 1 19 4051 1 1 1 GLY C C -5.259 4.720 -2.758 1.00 . A A . 1 GLY C 1 1 19 4052 1 1 1 GLY CA C -5.584 6.191 -2.610 1.00 . A A . 1 GLY CA 1 1 19 4053 1 1 1 GLY H1 H -6.618 7.686 -3.633 1.00 . A A . 1 GLY H1 1 1 19 4054 1 1 1 GLY H2 H -7.281 6.139 -3.793 1.00 . A A . 1 GLY H2 1 1 19 4055 1 1 1 GLY H3 H -5.881 6.531 -4.626 1.00 . A A . 1 GLY H3 1 1 19 4056 1 1 1 GLY HA2 H -4.660 6.747 -2.576 1.00 . A A . 1 GLY HA2 1 1 19 4057 1 1 1 GLY HA3 H -6.125 6.345 -1.688 1.00 . A A . 1 GLY HA3 1 1 19 4058 1 1 1 GLY N N -6.392 6.677 -3.731 1.00 . A A . 1 GLY N 1 1 19 4059 1 1 1 GLY O O -5.866 3.866 -2.093 1.00 . A A . 1 GLY O 1 1 19 4060 1 1 2 CYS C C -3.180 2.486 -2.671 1.00 . A A . 2 CYS C 1 1 19 4061 1 1 2 CYS CA C -3.910 3.030 -3.885 1.00 . A A . 2 CYS CA 1 1 19 4062 1 1 2 CYS CB C -2.983 2.994 -5.104 1.00 . A A . 2 CYS CB 1 1 19 4063 1 1 2 CYS H H -3.803 5.131 -4.068 1.00 . A A . 2 CYS H 1 1 19 4064 1 1 2 CYS HA H -4.797 2.447 -4.079 1.00 . A A . 2 CYS HA 1 1 19 4065 1 1 2 CYS HB2 H -3.266 3.789 -5.773 1.00 . A A . 2 CYS HB2 1 1 19 4066 1 1 2 CYS HB3 H -1.981 3.197 -4.755 1.00 . A A . 2 CYS HB3 1 1 19 4067 1 1 2 CYS N N -4.293 4.412 -3.606 1.00 . A A . 2 CYS N 1 1 19 4068 1 1 2 CYS O O -3.416 1.378 -2.225 1.00 . A A . 2 CYS O 1 1 19 4069 1 1 2 CYS SG S -2.945 1.398 -6.012 1.00 . A A . 2 CYS SG 1 1 19 4070 1 1 3 CYS C C -2.415 2.824 0.330 1.00 . A A . 3 CYS C 1 1 19 4071 1 1 3 CYS CA C -1.547 3.025 -0.924 1.00 . A A . 3 CYS CA 1 1 19 4072 1 1 3 CYS CB C -0.505 4.150 -0.717 1.00 . A A . 3 CYS CB 1 1 19 4073 1 1 3 CYS H H -2.317 4.230 -2.499 1.00 . A A . 3 CYS H 1 1 19 4074 1 1 3 CYS HA H -1.025 2.101 -1.126 1.00 . A A . 3 CYS HA 1 1 19 4075 1 1 3 CYS HB2 H 0.061 4.279 -1.626 1.00 . A A . 3 CYS HB2 1 1 19 4076 1 1 3 CYS HB3 H -1.029 5.070 -0.509 1.00 . A A . 3 CYS HB3 1 1 19 4077 1 1 3 CYS N N -2.373 3.339 -2.094 1.00 . A A . 3 CYS N 1 1 19 4078 1 1 3 CYS O O -1.955 2.350 1.349 1.00 . A A . 3 CYS O 1 1 19 4079 1 1 3 CYS SG S 0.703 3.890 0.626 1.00 . A A . 3 CYS SG 1 1 19 4080 1 1 4 SER C C -5.212 1.589 1.218 1.00 . A A . 4 SER C 1 1 19 4081 1 1 4 SER CA C -4.585 2.985 1.329 1.00 . A A . 4 SER CA 1 1 19 4082 1 1 4 SER CB C -5.667 4.087 1.286 1.00 . A A . 4 SER CB 1 1 19 4083 1 1 4 SER H H -4.003 3.570 -0.597 1.00 . A A . 4 SER H 1 1 19 4084 1 1 4 SER HA H -4.033 3.060 2.255 1.00 . A A . 4 SER HA 1 1 19 4085 1 1 4 SER HB2 H -5.194 5.057 1.303 1.00 . A A . 4 SER HB2 1 1 19 4086 1 1 4 SER HB3 H -6.234 3.986 0.373 1.00 . A A . 4 SER HB3 1 1 19 4087 1 1 4 SER HG H -6.047 4.182 3.189 1.00 . A A . 4 SER HG 1 1 19 4088 1 1 4 SER N N -3.678 3.170 0.235 1.00 . A A . 4 SER N 1 1 19 4089 1 1 4 SER O O -5.685 1.018 2.208 1.00 . A A . 4 SER O 1 1 19 4090 1 1 4 SER OG O -6.554 4.009 2.385 1.00 . A A . 4 SER OG 1 1 19 4091 1 1 5 ASP C C -4.769 -1.395 -0.095 1.00 . A A . 5 ASP C 1 1 19 4092 1 1 5 ASP CA C -5.765 -0.254 -0.267 1.00 . A A . 5 ASP CA 1 1 19 4093 1 1 5 ASP CB C -6.312 -0.232 -1.692 1.00 . A A . 5 ASP CB 1 1 19 4094 1 1 5 ASP CG C -7.054 -1.482 -2.049 1.00 . A A . 5 ASP CG 1 1 19 4095 1 1 5 ASP H H -4.581 1.435 -0.672 1.00 . A A . 5 ASP H 1 1 19 4096 1 1 5 ASP HA H -6.586 -0.389 0.421 1.00 . A A . 5 ASP HA 1 1 19 4097 1 1 5 ASP HB2 H -6.982 0.606 -1.809 1.00 . A A . 5 ASP HB2 1 1 19 4098 1 1 5 ASP HB3 H -5.486 -0.117 -2.379 1.00 . A A . 5 ASP HB3 1 1 19 4099 1 1 5 ASP N N -5.133 1.019 0.031 1.00 . A A . 5 ASP N 1 1 19 4100 1 1 5 ASP O O -3.763 -1.417 -0.772 1.00 . A A . 5 ASP O 1 1 19 4101 1 1 5 ASP OD1 O -8.076 -1.787 -1.396 1.00 . A A . 5 ASP OD1 1 1 19 4102 1 1 5 ASP OD2 O -6.677 -2.146 -3.010 1.00 . A A . 5 ASP OD2 1 1 19 4103 1 1 6 PRO C C -3.320 -4.140 0.044 1.00 . A A . 6 PRO C 1 1 19 4104 1 1 6 PRO CA C -4.155 -3.479 1.188 1.00 . A A . 6 PRO CA 1 1 19 4105 1 1 6 PRO CB C -5.067 -4.479 1.898 1.00 . A A . 6 PRO CB 1 1 19 4106 1 1 6 PRO CD C -6.305 -2.410 1.618 1.00 . A A . 6 PRO CD 1 1 19 4107 1 1 6 PRO CG C -6.160 -3.649 2.480 1.00 . A A . 6 PRO CG 1 1 19 4108 1 1 6 PRO HA H -3.418 -3.124 1.892 1.00 . A A . 6 PRO HA 1 1 19 4109 1 1 6 PRO HB2 H -5.450 -5.192 1.183 1.00 . A A . 6 PRO HB2 1 1 19 4110 1 1 6 PRO HB3 H -4.514 -4.996 2.668 1.00 . A A . 6 PRO HB3 1 1 19 4111 1 1 6 PRO HD2 H -7.164 -2.498 0.968 1.00 . A A . 6 PRO HD2 1 1 19 4112 1 1 6 PRO HD3 H -6.398 -1.536 2.245 1.00 . A A . 6 PRO HD3 1 1 19 4113 1 1 6 PRO HG2 H -7.082 -4.211 2.474 1.00 . A A . 6 PRO HG2 1 1 19 4114 1 1 6 PRO HG3 H -5.904 -3.373 3.493 1.00 . A A . 6 PRO HG3 1 1 19 4115 1 1 6 PRO N N -5.057 -2.354 0.825 1.00 . A A . 6 PRO N 1 1 19 4116 1 1 6 PRO O O -2.091 -4.205 0.174 1.00 . A A . 6 PRO O 1 1 19 4117 1 1 7 PRO C C -2.150 -4.255 -2.823 1.00 . A A . 7 PRO C 1 1 19 4118 1 1 7 PRO CA C -3.116 -5.246 -2.160 1.00 . A A . 7 PRO CA 1 1 19 4119 1 1 7 PRO CB C -4.147 -5.761 -3.163 1.00 . A A . 7 PRO CB 1 1 19 4120 1 1 7 PRO CD C -5.357 -4.652 -1.416 1.00 . A A . 7 PRO CD 1 1 19 4121 1 1 7 PRO CG C -5.395 -5.010 -2.873 1.00 . A A . 7 PRO CG 1 1 19 4122 1 1 7 PRO HA H -2.540 -6.068 -1.763 1.00 . A A . 7 PRO HA 1 1 19 4123 1 1 7 PRO HB2 H -3.795 -5.568 -4.166 1.00 . A A . 7 PRO HB2 1 1 19 4124 1 1 7 PRO HB3 H -4.287 -6.823 -3.027 1.00 . A A . 7 PRO HB3 1 1 19 4125 1 1 7 PRO HD2 H -5.808 -3.685 -1.250 1.00 . A A . 7 PRO HD2 1 1 19 4126 1 1 7 PRO HD3 H -5.865 -5.409 -0.837 1.00 . A A . 7 PRO HD3 1 1 19 4127 1 1 7 PRO HG2 H -5.428 -4.111 -3.472 1.00 . A A . 7 PRO HG2 1 1 19 4128 1 1 7 PRO HG3 H -6.254 -5.629 -3.085 1.00 . A A . 7 PRO HG3 1 1 19 4129 1 1 7 PRO N N -3.914 -4.623 -1.094 1.00 . A A . 7 PRO N 1 1 19 4130 1 1 7 PRO O O -1.107 -4.640 -3.346 1.00 . A A . 7 PRO O 1 1 19 4131 1 1 8 CYS C C -0.898 -1.239 -2.161 1.00 . A A . 8 CYS C 1 1 19 4132 1 1 8 CYS CA C -1.641 -1.948 -3.306 1.00 . A A . 8 CYS CA 1 1 19 4133 1 1 8 CYS CB C -2.497 -0.956 -4.116 1.00 . A A . 8 CYS CB 1 1 19 4134 1 1 8 CYS H H -3.298 -2.720 -2.278 1.00 . A A . 8 CYS H 1 1 19 4135 1 1 8 CYS HA H -0.917 -2.418 -3.955 1.00 . A A . 8 CYS HA 1 1 19 4136 1 1 8 CYS HB2 H -3.111 -1.504 -4.814 1.00 . A A . 8 CYS HB2 1 1 19 4137 1 1 8 CYS HB3 H -3.139 -0.416 -3.435 1.00 . A A . 8 CYS HB3 1 1 19 4138 1 1 8 CYS N N -2.474 -2.985 -2.746 1.00 . A A . 8 CYS N 1 1 19 4139 1 1 8 CYS O O -0.348 -0.158 -2.315 1.00 . A A . 8 CYS O 1 1 19 4140 1 1 8 CYS SG S -1.537 0.281 -5.076 1.00 . A A . 8 CYS SG 1 1 19 4141 1 1 9 ARG C C 0.920 -2.282 0.508 1.00 . A A . 9 ARG C 1 1 19 4142 1 1 9 ARG CA C -0.195 -1.329 0.136 1.00 . A A . 9 ARG CA 1 1 19 4143 1 1 9 ARG CB C -1.196 -1.215 1.268 1.00 . A A . 9 ARG CB 1 1 19 4144 1 1 9 ARG CD C -1.946 -0.169 3.387 1.00 . A A . 9 ARG CD 1 1 19 4145 1 1 9 ARG CG C -0.781 -0.338 2.414 1.00 . A A . 9 ARG CG 1 1 19 4146 1 1 9 ARG CZ C -2.575 1.621 5.015 1.00 . A A . 9 ARG CZ 1 1 19 4147 1 1 9 ARG H H -1.395 -2.702 -0.912 1.00 . A A . 9 ARG H 1 1 19 4148 1 1 9 ARG HA H 0.214 -0.357 -0.098 1.00 . A A . 9 ARG HA 1 1 19 4149 1 1 9 ARG HB2 H -2.134 -0.872 0.863 1.00 . A A . 9 ARG HB2 1 1 19 4150 1 1 9 ARG HB3 H -1.357 -2.213 1.651 1.00 . A A . 9 ARG HB3 1 1 19 4151 1 1 9 ARG HD2 H -2.806 0.183 2.836 1.00 . A A . 9 ARG HD2 1 1 19 4152 1 1 9 ARG HD3 H -2.170 -1.134 3.813 1.00 . A A . 9 ARG HD3 1 1 19 4153 1 1 9 ARG HE H -0.743 0.762 4.813 1.00 . A A . 9 ARG HE 1 1 19 4154 1 1 9 ARG HG2 H 0.074 -0.785 2.899 1.00 . A A . 9 ARG HG2 1 1 19 4155 1 1 9 ARG HG3 H -0.513 0.618 1.992 1.00 . A A . 9 ARG HG3 1 1 19 4156 1 1 9 ARG HH11 H -4.163 1.070 3.814 1.00 . A A . 9 ARG HH11 1 1 19 4157 1 1 9 ARG HH12 H -4.507 2.302 4.937 1.00 . A A . 9 ARG HH12 1 1 19 4158 1 1 9 ARG HH21 H -1.292 2.410 6.392 1.00 . A A . 9 ARG HH21 1 1 19 4159 1 1 9 ARG HH22 H -2.870 3.050 6.458 1.00 . A A . 9 ARG HH22 1 1 19 4160 1 1 9 ARG N N -0.883 -1.870 -1.013 1.00 . A A . 9 ARG N 1 1 19 4161 1 1 9 ARG NE N -1.667 0.779 4.474 1.00 . A A . 9 ARG NE 1 1 19 4162 1 1 9 ARG NH1 N -3.836 1.657 4.557 1.00 . A A . 9 ARG NH1 1 1 19 4163 1 1 9 ARG NH2 N -2.225 2.416 6.019 1.00 . A A . 9 ARG NH2 1 1 19 4164 1 1 9 ARG O O 2.066 -1.888 0.682 1.00 . A A . 9 ARG O 1 1 19 4165 1 1 10 ASN C C 2.672 -4.742 -0.058 1.00 . A A . 10 ASN C 1 1 19 4166 1 1 10 ASN CA C 1.471 -4.669 0.884 1.00 . A A . 10 ASN CA 1 1 19 4167 1 1 10 ASN CB C 0.688 -5.998 0.864 1.00 . A A . 10 ASN CB 1 1 19 4168 1 1 10 ASN CG C 1.574 -7.228 0.987 1.00 . A A . 10 ASN CG 1 1 19 4169 1 1 10 ASN H H -0.390 -3.745 0.388 1.00 . A A . 10 ASN H 1 1 19 4170 1 1 10 ASN HA H 1.842 -4.509 1.881 1.00 . A A . 10 ASN HA 1 1 19 4171 1 1 10 ASN HB2 H -0.013 -6.007 1.684 1.00 . A A . 10 ASN HB2 1 1 19 4172 1 1 10 ASN HB3 H 0.139 -6.063 -0.065 1.00 . A A . 10 ASN HB3 1 1 19 4173 1 1 10 ASN HD21 H 1.471 -7.138 2.947 1.00 . A A . 10 ASN HD21 1 1 19 4174 1 1 10 ASN HD22 H 2.433 -8.413 2.302 1.00 . A A . 10 ASN HD22 1 1 19 4175 1 1 10 ASN N N 0.560 -3.551 0.556 1.00 . A A . 10 ASN N 1 1 19 4176 1 1 10 ASN ND2 N 1.847 -7.636 2.190 1.00 . A A . 10 ASN ND2 1 1 19 4177 1 1 10 ASN O O 3.783 -5.083 0.341 1.00 . A A . 10 ASN O 1 1 19 4178 1 1 10 ASN OD1 O 2.010 -7.798 -0.013 1.00 . A A . 10 ASN OD1 1 1 19 4179 1 1 11 LYS C C 4.244 -3.140 -2.371 1.00 . A A . 11 LYS C 1 1 19 4180 1 1 11 LYS CA C 3.446 -4.424 -2.315 1.00 . A A . 11 LYS CA 1 1 19 4181 1 1 11 LYS CB C 2.738 -4.637 -3.638 1.00 . A A . 11 LYS CB 1 1 19 4182 1 1 11 LYS CD C 1.333 -6.165 -5.059 1.00 . A A . 11 LYS CD 1 1 19 4183 1 1 11 LYS CE C 0.625 -7.504 -5.094 1.00 . A A . 11 LYS CE 1 1 19 4184 1 1 11 LYS CG C 2.046 -5.983 -3.736 1.00 . A A . 11 LYS CG 1 1 19 4185 1 1 11 LYS H H 1.562 -4.035 -1.521 1.00 . A A . 11 LYS H 1 1 19 4186 1 1 11 LYS HA H 4.099 -5.266 -2.140 1.00 . A A . 11 LYS HA 1 1 19 4187 1 1 11 LYS HB2 H 2.006 -3.848 -3.746 1.00 . A A . 11 LYS HB2 1 1 19 4188 1 1 11 LYS HB3 H 3.444 -4.520 -4.438 1.00 . A A . 11 LYS HB3 1 1 19 4189 1 1 11 LYS HD2 H 0.604 -5.378 -5.178 1.00 . A A . 11 LYS HD2 1 1 19 4190 1 1 11 LYS HD3 H 2.054 -6.124 -5.861 1.00 . A A . 11 LYS HD3 1 1 19 4191 1 1 11 LYS HE2 H 1.358 -8.282 -4.946 1.00 . A A . 11 LYS HE2 1 1 19 4192 1 1 11 LYS HE3 H -0.091 -7.533 -4.288 1.00 . A A . 11 LYS HE3 1 1 19 4193 1 1 11 LYS HG2 H 2.783 -6.764 -3.631 1.00 . A A . 11 LYS HG2 1 1 19 4194 1 1 11 LYS HG3 H 1.327 -6.060 -2.934 1.00 . A A . 11 LYS HG3 1 1 19 4195 1 1 11 LYS HZ1 H -0.505 -8.678 -6.370 1.00 . A A . 11 LYS HZ1 1 1 19 4196 1 1 11 LYS HZ2 H 0.581 -7.683 -7.175 1.00 . A A . 11 LYS HZ2 1 1 19 4197 1 1 11 LYS HZ3 H -0.826 -7.038 -6.517 1.00 . A A . 11 LYS HZ3 1 1 19 4198 1 1 11 LYS N N 2.448 -4.367 -1.281 1.00 . A A . 11 LYS N 1 1 19 4199 1 1 11 LYS NZ N -0.071 -7.735 -6.367 1.00 . A A . 11 LYS NZ 1 1 19 4200 1 1 11 LYS O O 5.099 -2.957 -3.249 1.00 . A A . 11 LYS O 1 1 19 4201 1 1 12 HIS C C 5.030 -0.513 -0.035 1.00 . A A . 12 HIS C 1 1 19 4202 1 1 12 HIS CA C 4.587 -0.944 -1.449 1.00 . A A . 12 HIS CA 1 1 19 4203 1 1 12 HIS CB C 3.541 0.051 -1.995 1.00 . A A . 12 HIS CB 1 1 19 4204 1 1 12 HIS CD2 C 2.060 -0.951 -3.838 1.00 . A A . 12 HIS CD2 1 1 19 4205 1 1 12 HIS CE1 C 3.172 -0.350 -5.584 1.00 . A A . 12 HIS CE1 1 1 19 4206 1 1 12 HIS CG C 3.111 -0.235 -3.400 1.00 . A A . 12 HIS CG 1 1 19 4207 1 1 12 HIS H H 3.392 -2.485 -0.690 1.00 . A A . 12 HIS H 1 1 19 4208 1 1 12 HIS HA H 5.428 -0.952 -2.124 1.00 . A A . 12 HIS HA 1 1 19 4209 1 1 12 HIS HB2 H 2.659 -0.036 -1.375 1.00 . A A . 12 HIS HB2 1 1 19 4210 1 1 12 HIS HB3 H 3.892 1.067 -1.930 1.00 . A A . 12 HIS HB3 1 1 19 4211 1 1 12 HIS HD1 H 4.619 0.701 -4.558 1.00 . A A . 12 HIS HD1 1 1 19 4212 1 1 12 HIS HD2 H 1.313 -1.381 -3.183 1.00 . A A . 12 HIS HD2 1 1 19 4213 1 1 12 HIS HE1 H 3.507 -0.251 -6.604 1.00 . A A . 12 HIS HE1 1 1 19 4214 1 1 12 HIS N N 3.987 -2.261 -1.439 1.00 . A A . 12 HIS N 1 1 19 4215 1 1 12 HIS ND1 N 3.808 0.147 -4.523 1.00 . A A . 12 HIS ND1 1 1 19 4216 1 1 12 HIS NE2 N 2.094 -1.028 -5.222 1.00 . A A . 12 HIS NE2 1 1 19 4217 1 1 12 HIS O O 4.766 0.617 0.357 1.00 . A A . 12 HIS O 1 1 19 4218 1 1 13 PRO C C 7.045 0.176 2.300 1.00 . A A . 13 PRO C 1 1 19 4219 1 1 13 PRO CA C 6.152 -1.064 2.123 1.00 . A A . 13 PRO CA 1 1 19 4220 1 1 13 PRO CB C 6.890 -2.324 2.578 1.00 . A A . 13 PRO CB 1 1 19 4221 1 1 13 PRO CD C 6.437 -2.618 0.266 1.00 . A A . 13 PRO CD 1 1 19 4222 1 1 13 PRO CG C 7.447 -2.905 1.330 1.00 . A A . 13 PRO CG 1 1 19 4223 1 1 13 PRO HA H 5.261 -0.936 2.720 1.00 . A A . 13 PRO HA 1 1 19 4224 1 1 13 PRO HB2 H 7.671 -2.052 3.273 1.00 . A A . 13 PRO HB2 1 1 19 4225 1 1 13 PRO HB3 H 6.196 -3.001 3.053 1.00 . A A . 13 PRO HB3 1 1 19 4226 1 1 13 PRO HD2 H 6.922 -2.483 -0.689 1.00 . A A . 13 PRO HD2 1 1 19 4227 1 1 13 PRO HD3 H 5.706 -3.411 0.210 1.00 . A A . 13 PRO HD3 1 1 19 4228 1 1 13 PRO HG2 H 8.388 -2.433 1.092 1.00 . A A . 13 PRO HG2 1 1 19 4229 1 1 13 PRO HG3 H 7.577 -3.971 1.445 1.00 . A A . 13 PRO HG3 1 1 19 4230 1 1 13 PRO N N 5.804 -1.355 0.717 1.00 . A A . 13 PRO N 1 1 19 4231 1 1 13 PRO O O 7.148 0.721 3.400 1.00 . A A . 13 PRO O 1 1 19 4232 1 1 14 ASP C C 7.693 3.063 1.418 1.00 . A A . 14 ASP C 1 1 19 4233 1 1 14 ASP CA C 8.532 1.807 1.308 1.00 . A A . 14 ASP CA 1 1 19 4234 1 1 14 ASP CB C 9.469 1.917 0.105 1.00 . A A . 14 ASP CB 1 1 19 4235 1 1 14 ASP CG C 10.383 3.123 0.193 1.00 . A A . 14 ASP CG 1 1 19 4236 1 1 14 ASP H H 7.544 0.158 0.374 1.00 . A A . 14 ASP H 1 1 19 4237 1 1 14 ASP HA H 9.123 1.715 2.208 1.00 . A A . 14 ASP HA 1 1 19 4238 1 1 14 ASP HB2 H 10.078 1.027 0.038 1.00 . A A . 14 ASP HB2 1 1 19 4239 1 1 14 ASP HB3 H 8.874 2.011 -0.791 1.00 . A A . 14 ASP HB3 1 1 19 4240 1 1 14 ASP N N 7.672 0.629 1.227 1.00 . A A . 14 ASP N 1 1 19 4241 1 1 14 ASP O O 7.968 3.940 2.236 1.00 . A A . 14 ASP O 1 1 19 4242 1 1 14 ASP OD1 O 11.471 3.019 0.798 1.00 . A A . 14 ASP OD1 1 1 19 4243 1 1 14 ASP OD2 O 10.042 4.194 -0.350 1.00 . A A . 14 ASP OD2 1 1 19 4244 1 1 15 LEU C C 4.651 4.096 1.603 1.00 . A A . 15 LEU C 1 1 19 4245 1 1 15 LEU CA C 5.790 4.280 0.637 1.00 . A A . 15 LEU CA 1 1 19 4246 1 1 15 LEU CB C 5.278 4.718 -0.765 1.00 . A A . 15 LEU CB 1 1 19 4247 1 1 15 LEU CD1 C 3.724 4.374 -2.698 1.00 . A A . 15 LEU CD1 1 1 19 4248 1 1 15 LEU CD2 C 5.637 2.834 -2.404 1.00 . A A . 15 LEU CD2 1 1 19 4249 1 1 15 LEU CG C 4.594 3.672 -1.667 1.00 . A A . 15 LEU CG 1 1 19 4250 1 1 15 LEU H H 6.453 2.378 0.040 1.00 . A A . 15 LEU H 1 1 19 4251 1 1 15 LEU HA H 6.425 5.056 1.027 1.00 . A A . 15 LEU HA 1 1 19 4252 1 1 15 LEU HB2 H 4.572 5.521 -0.614 1.00 . A A . 15 LEU HB2 1 1 19 4253 1 1 15 LEU HB3 H 6.120 5.124 -1.305 1.00 . A A . 15 LEU HB3 1 1 19 4254 1 1 15 LEU HD11 H 3.257 3.637 -3.334 1.00 . A A . 15 LEU HD11 1 1 19 4255 1 1 15 LEU HD12 H 4.333 5.033 -3.299 1.00 . A A . 15 LEU HD12 1 1 19 4256 1 1 15 LEU HD13 H 2.961 4.948 -2.195 1.00 . A A . 15 LEU HD13 1 1 19 4257 1 1 15 LEU HD21 H 6.299 3.487 -2.951 1.00 . A A . 15 LEU HD21 1 1 19 4258 1 1 15 LEU HD22 H 5.136 2.191 -3.113 1.00 . A A . 15 LEU HD22 1 1 19 4259 1 1 15 LEU HD23 H 6.208 2.227 -1.718 1.00 . A A . 15 LEU HD23 1 1 19 4260 1 1 15 LEU HG H 3.979 3.016 -1.070 1.00 . A A . 15 LEU HG 1 1 19 4261 1 1 15 LEU N N 6.653 3.133 0.624 1.00 . A A . 15 LEU N 1 1 19 4262 1 1 15 LEU O O 4.280 5.020 2.312 1.00 . A A . 15 LEU O 1 1 19 4263 1 1 16 CYS C C 3.616 2.070 3.828 1.00 . A A . 16 CYS C 1 1 19 4264 1 1 16 CYS CA C 3.051 2.592 2.522 1.00 . A A . 16 CYS CA 1 1 19 4265 1 1 16 CYS CB C 2.180 1.546 1.858 1.00 . A A . 16 CYS CB 1 1 19 4266 1 1 16 CYS H H 4.405 2.166 1.080 1.00 . A A . 16 CYS H 1 1 19 4267 1 1 16 CYS HA H 2.460 3.478 2.700 1.00 . A A . 16 CYS HA 1 1 19 4268 1 1 16 CYS HB2 H 2.765 0.653 1.700 1.00 . A A . 16 CYS HB2 1 1 19 4269 1 1 16 CYS HB3 H 1.365 1.323 2.521 1.00 . A A . 16 CYS HB3 1 1 19 4270 1 1 16 CYS N N 4.116 2.913 1.648 1.00 . A A . 16 CYS N 1 1 19 4271 1 1 16 CYS O O 3.869 0.877 3.978 1.00 . A A . 16 CYS O 1 1 19 4272 1 1 16 CYS SG S 1.490 2.062 0.244 1.00 . A A . 16 CYS SG 1 1 19 4273 1 1 17 NH2 HN1 H 3.626 3.896 4.559 1.00 . A A . 17 NH2 HN1 1 1 19 4274 1 1 17 NH2 HN2 H 4.250 2.661 5.600 1.00 . A A . 17 NH2 HN2 1 1 19 4275 1 1 17 NH2 N N 3.855 2.964 4.755 1.00 . A A . 17 NH2 N 1 1 20 4276 1 1 1 GLY C C -4.965 4.672 -3.369 1.00 . A A . 1 GLY C 1 1 20 4277 1 1 1 GLY CA C -5.068 6.161 -3.212 1.00 . A A . 1 GLY CA 1 1 20 4278 1 1 1 GLY H1 H -6.849 6.143 -2.181 1.00 . A A . 1 GLY H1 1 1 20 4279 1 1 1 GLY H2 H -5.887 7.505 -1.838 1.00 . A A . 1 GLY H2 1 1 20 4280 1 1 1 GLY H3 H -5.486 5.963 -1.234 1.00 . A A . 1 GLY H3 1 1 20 4281 1 1 1 GLY HA2 H -5.539 6.569 -4.092 1.00 . A A . 1 GLY HA2 1 1 20 4282 1 1 1 GLY HA3 H -4.082 6.590 -3.104 1.00 . A A . 1 GLY HA3 1 1 20 4283 1 1 1 GLY N N -5.877 6.489 -2.045 1.00 . A A . 1 GLY N 1 1 20 4284 1 1 1 GLY O O -5.844 3.946 -2.912 1.00 . A A . 1 GLY O 1 1 20 4285 1 1 2 CYS C C -3.104 2.206 -2.914 1.00 . A A . 2 CYS C 1 1 20 4286 1 1 2 CYS CA C -3.737 2.766 -4.164 1.00 . A A . 2 CYS CA 1 1 20 4287 1 1 2 CYS CB C -2.813 2.487 -5.347 1.00 . A A . 2 CYS CB 1 1 20 4288 1 1 2 CYS H H -3.241 4.819 -4.350 1.00 . A A . 2 CYS H 1 1 20 4289 1 1 2 CYS HA H -4.697 2.305 -4.335 1.00 . A A . 2 CYS HA 1 1 20 4290 1 1 2 CYS HB2 H -3.007 3.213 -6.116 1.00 . A A . 2 CYS HB2 1 1 20 4291 1 1 2 CYS HB3 H -1.802 2.654 -5.004 1.00 . A A . 2 CYS HB3 1 1 20 4292 1 1 2 CYS N N -3.913 4.198 -3.985 1.00 . A A . 2 CYS N 1 1 20 4293 1 1 2 CYS O O -3.515 1.188 -2.391 1.00 . A A . 2 CYS O 1 1 20 4294 1 1 2 CYS SG S -2.886 0.775 -6.019 1.00 . A A . 2 CYS SG 1 1 20 4295 1 1 3 CYS C C -2.145 2.561 0.057 1.00 . A A . 3 CYS C 1 1 20 4296 1 1 3 CYS CA C -1.349 2.503 -1.259 1.00 . A A . 3 CYS CA 1 1 20 4297 1 1 3 CYS CB C -0.055 3.321 -1.151 1.00 . A A . 3 CYS CB 1 1 20 4298 1 1 3 CYS H H -1.981 3.797 -2.847 1.00 . A A . 3 CYS H 1 1 20 4299 1 1 3 CYS HA H -1.088 1.471 -1.439 1.00 . A A . 3 CYS HA 1 1 20 4300 1 1 3 CYS HB2 H 0.327 3.521 -2.139 1.00 . A A . 3 CYS HB2 1 1 20 4301 1 1 3 CYS HB3 H -0.278 4.258 -0.662 1.00 . A A . 3 CYS HB3 1 1 20 4302 1 1 3 CYS N N -2.151 2.939 -2.403 1.00 . A A . 3 CYS N 1 1 20 4303 1 1 3 CYS O O -1.660 2.162 1.106 1.00 . A A . 3 CYS O 1 1 20 4304 1 1 3 CYS SG S 1.268 2.501 -0.198 1.00 . A A . 3 CYS SG 1 1 20 4305 1 1 4 SER C C -5.026 1.750 1.135 1.00 . A A . 4 SER C 1 1 20 4306 1 1 4 SER CA C -4.199 3.036 1.155 1.00 . A A . 4 SER CA 1 1 20 4307 1 1 4 SER CB C -5.072 4.286 1.181 1.00 . A A . 4 SER CB 1 1 20 4308 1 1 4 SER H H -3.696 3.525 -0.783 1.00 . A A . 4 SER H 1 1 20 4309 1 1 4 SER HA H -3.569 3.027 2.032 1.00 . A A . 4 SER HA 1 1 20 4310 1 1 4 SER HB2 H -5.903 4.117 1.846 1.00 . A A . 4 SER HB2 1 1 20 4311 1 1 4 SER HB3 H -4.493 5.132 1.520 1.00 . A A . 4 SER HB3 1 1 20 4312 1 1 4 SER HG H -6.499 4.247 -0.147 1.00 . A A . 4 SER HG 1 1 20 4313 1 1 4 SER N N -3.348 3.074 0.014 1.00 . A A . 4 SER N 1 1 20 4314 1 1 4 SER O O -5.597 1.342 2.141 1.00 . A A . 4 SER O 1 1 20 4315 1 1 4 SER OG O -5.587 4.567 -0.110 1.00 . A A . 4 SER OG 1 1 20 4316 1 1 5 ASP C C -4.825 -1.318 0.057 1.00 . A A . 5 ASP C 1 1 20 4317 1 1 5 ASP CA C -5.780 -0.151 -0.191 1.00 . A A . 5 ASP CA 1 1 20 4318 1 1 5 ASP CB C -6.377 -0.227 -1.604 1.00 . A A . 5 ASP CB 1 1 20 4319 1 1 5 ASP CG C -7.193 -1.480 -1.841 1.00 . A A . 5 ASP CG 1 1 20 4320 1 1 5 ASP H H -4.512 1.428 -0.774 1.00 . A A . 5 ASP H 1 1 20 4321 1 1 5 ASP HA H -6.572 -0.162 0.544 1.00 . A A . 5 ASP HA 1 1 20 4322 1 1 5 ASP HB2 H -7.018 0.627 -1.762 1.00 . A A . 5 ASP HB2 1 1 20 4323 1 1 5 ASP HB3 H -5.572 -0.200 -2.323 1.00 . A A . 5 ASP HB3 1 1 20 4324 1 1 5 ASP N N -5.043 1.095 -0.015 1.00 . A A . 5 ASP N 1 1 20 4325 1 1 5 ASP O O -3.807 -1.431 -0.630 1.00 . A A . 5 ASP O 1 1 20 4326 1 1 5 ASP OD1 O -8.373 -1.516 -1.454 1.00 . A A . 5 ASP OD1 1 1 20 4327 1 1 5 ASP OD2 O -6.680 -2.439 -2.446 1.00 . A A . 5 ASP OD2 1 1 20 4328 1 1 6 PRO C C -3.496 -4.088 0.413 1.00 . A A . 6 PRO C 1 1 20 4329 1 1 6 PRO CA C -4.240 -3.270 1.513 1.00 . A A . 6 PRO CA 1 1 20 4330 1 1 6 PRO CB C -5.109 -4.146 2.436 1.00 . A A . 6 PRO CB 1 1 20 4331 1 1 6 PRO CD C -6.360 -2.142 1.856 1.00 . A A . 6 PRO CD 1 1 20 4332 1 1 6 PRO CG C -6.483 -3.537 2.410 1.00 . A A . 6 PRO CG 1 1 20 4333 1 1 6 PRO HA H -3.442 -2.839 2.101 1.00 . A A . 6 PRO HA 1 1 20 4334 1 1 6 PRO HB2 H -5.116 -5.161 2.070 1.00 . A A . 6 PRO HB2 1 1 20 4335 1 1 6 PRO HB3 H -4.695 -4.131 3.434 1.00 . A A . 6 PRO HB3 1 1 20 4336 1 1 6 PRO HD2 H -7.213 -1.926 1.231 1.00 . A A . 6 PRO HD2 1 1 20 4337 1 1 6 PRO HD3 H -6.286 -1.421 2.656 1.00 . A A . 6 PRO HD3 1 1 20 4338 1 1 6 PRO HG2 H -7.129 -4.119 1.771 1.00 . A A . 6 PRO HG2 1 1 20 4339 1 1 6 PRO HG3 H -6.891 -3.508 3.409 1.00 . A A . 6 PRO HG3 1 1 20 4340 1 1 6 PRO N N -5.124 -2.177 1.062 1.00 . A A . 6 PRO N 1 1 20 4341 1 1 6 PRO O O -2.265 -4.080 0.421 1.00 . A A . 6 PRO O 1 1 20 4342 1 1 7 PRO C C -2.499 -4.749 -2.433 1.00 . A A . 7 PRO C 1 1 20 4343 1 1 7 PRO CA C -3.489 -5.572 -1.599 1.00 . A A . 7 PRO CA 1 1 20 4344 1 1 7 PRO CB C -4.626 -6.092 -2.484 1.00 . A A . 7 PRO CB 1 1 20 4345 1 1 7 PRO CD C -5.650 -4.856 -0.745 1.00 . A A . 7 PRO CD 1 1 20 4346 1 1 7 PRO CG C -5.811 -6.078 -1.596 1.00 . A A . 7 PRO CG 1 1 20 4347 1 1 7 PRO HA H -2.965 -6.405 -1.155 1.00 . A A . 7 PRO HA 1 1 20 4348 1 1 7 PRO HB2 H -4.754 -5.434 -3.331 1.00 . A A . 7 PRO HB2 1 1 20 4349 1 1 7 PRO HB3 H -4.398 -7.091 -2.825 1.00 . A A . 7 PRO HB3 1 1 20 4350 1 1 7 PRO HD2 H -6.032 -3.984 -1.256 1.00 . A A . 7 PRO HD2 1 1 20 4351 1 1 7 PRO HD3 H -6.146 -4.992 0.204 1.00 . A A . 7 PRO HD3 1 1 20 4352 1 1 7 PRO HG2 H -6.714 -6.022 -2.184 1.00 . A A . 7 PRO HG2 1 1 20 4353 1 1 7 PRO HG3 H -5.819 -6.964 -0.977 1.00 . A A . 7 PRO HG3 1 1 20 4354 1 1 7 PRO N N -4.184 -4.771 -0.568 1.00 . A A . 7 PRO N 1 1 20 4355 1 1 7 PRO O O -1.520 -5.284 -2.960 1.00 . A A . 7 PRO O 1 1 20 4356 1 1 8 CYS C C -0.736 -2.123 -2.340 1.00 . A A . 8 CYS C 1 1 20 4357 1 1 8 CYS CA C -1.848 -2.605 -3.273 1.00 . A A . 8 CYS CA 1 1 20 4358 1 1 8 CYS CB C -2.605 -1.425 -3.908 1.00 . A A . 8 CYS CB 1 1 20 4359 1 1 8 CYS H H -3.541 -3.094 -2.105 1.00 . A A . 8 CYS H 1 1 20 4360 1 1 8 CYS HA H -1.394 -3.200 -4.052 1.00 . A A . 8 CYS HA 1 1 20 4361 1 1 8 CYS HB2 H -3.374 -1.812 -4.559 1.00 . A A . 8 CYS HB2 1 1 20 4362 1 1 8 CYS HB3 H -3.067 -0.843 -3.124 1.00 . A A . 8 CYS HB3 1 1 20 4363 1 1 8 CYS N N -2.743 -3.466 -2.543 1.00 . A A . 8 CYS N 1 1 20 4364 1 1 8 CYS O O 0.431 -2.123 -2.702 1.00 . A A . 8 CYS O 1 1 20 4365 1 1 8 CYS SG S -1.559 -0.292 -4.904 1.00 . A A . 8 CYS SG 1 1 20 4366 1 1 9 ARG C C 0.898 -2.301 0.196 1.00 . A A . 9 ARG C 1 1 20 4367 1 1 9 ARG CA C -0.196 -1.296 -0.072 1.00 . A A . 9 ARG CA 1 1 20 4368 1 1 9 ARG CB C -0.980 -1.096 1.192 1.00 . A A . 9 ARG CB 1 1 20 4369 1 1 9 ARG CD C -1.156 -0.085 3.468 1.00 . A A . 9 ARG CD 1 1 20 4370 1 1 9 ARG CG C -0.242 -0.344 2.281 1.00 . A A . 9 ARG CG 1 1 20 4371 1 1 9 ARG CZ C -2.910 -1.546 4.498 1.00 . A A . 9 ARG CZ 1 1 20 4372 1 1 9 ARG H H -2.065 -1.867 -0.885 1.00 . A A . 9 ARG H 1 1 20 4373 1 1 9 ARG HA H 0.241 -0.353 -0.372 1.00 . A A . 9 ARG HA 1 1 20 4374 1 1 9 ARG HB2 H -1.919 -0.641 0.942 1.00 . A A . 9 ARG HB2 1 1 20 4375 1 1 9 ARG HB3 H -1.207 -2.082 1.571 1.00 . A A . 9 ARG HB3 1 1 20 4376 1 1 9 ARG HD2 H -0.608 0.463 4.220 1.00 . A A . 9 ARG HD2 1 1 20 4377 1 1 9 ARG HD3 H -1.995 0.505 3.131 1.00 . A A . 9 ARG HD3 1 1 20 4378 1 1 9 ARG HE H -0.971 -2.037 4.120 1.00 . A A . 9 ARG HE 1 1 20 4379 1 1 9 ARG HG2 H 0.612 -0.927 2.589 1.00 . A A . 9 ARG HG2 1 1 20 4380 1 1 9 ARG HG3 H 0.092 0.597 1.868 1.00 . A A . 9 ARG HG3 1 1 20 4381 1 1 9 ARG HH11 H -3.672 0.294 3.970 1.00 . A A . 9 ARG HH11 1 1 20 4382 1 1 9 ARG HH12 H -4.790 -0.738 4.704 1.00 . A A . 9 ARG HH12 1 1 20 4383 1 1 9 ARG HH21 H -2.545 -3.448 5.133 1.00 . A A . 9 ARG HH21 1 1 20 4384 1 1 9 ARG HH22 H -4.138 -2.924 5.383 1.00 . A A . 9 ARG HH22 1 1 20 4385 1 1 9 ARG N N -1.110 -1.791 -1.114 1.00 . A A . 9 ARG N 1 1 20 4386 1 1 9 ARG NE N -1.656 -1.333 4.054 1.00 . A A . 9 ARG NE 1 1 20 4387 1 1 9 ARG NH1 N -3.848 -0.604 4.382 1.00 . A A . 9 ARG NH1 1 1 20 4388 1 1 9 ARG NH2 N -3.219 -2.710 5.039 1.00 . A A . 9 ARG NH2 1 1 20 4389 1 1 9 ARG O O 2.043 -1.943 0.428 1.00 . A A . 9 ARG O 1 1 20 4390 1 1 10 ASN C C 2.618 -4.650 -0.675 1.00 . A A . 10 ASN C 1 1 20 4391 1 1 10 ASN CA C 1.472 -4.686 0.332 1.00 . A A . 10 ASN CA 1 1 20 4392 1 1 10 ASN CB C 0.787 -6.062 0.277 1.00 . A A . 10 ASN CB 1 1 20 4393 1 1 10 ASN CG C 0.108 -6.459 1.568 1.00 . A A . 10 ASN CG 1 1 20 4394 1 1 10 ASN H H -0.461 -3.682 0.121 1.00 . A A . 10 ASN H 1 1 20 4395 1 1 10 ASN HA H 1.921 -4.568 1.304 1.00 . A A . 10 ASN HA 1 1 20 4396 1 1 10 ASN HB2 H 0.039 -6.048 -0.502 1.00 . A A . 10 ASN HB2 1 1 20 4397 1 1 10 ASN HB3 H 1.529 -6.809 0.034 1.00 . A A . 10 ASN HB3 1 1 20 4398 1 1 10 ASN HD21 H 1.761 -7.327 2.186 1.00 . A A . 10 ASN HD21 1 1 20 4399 1 1 10 ASN HD22 H 0.425 -7.391 3.276 1.00 . A A . 10 ASN HD22 1 1 20 4400 1 1 10 ASN N N 0.518 -3.555 0.182 1.00 . A A . 10 ASN N 1 1 20 4401 1 1 10 ASN ND2 N 0.830 -7.120 2.425 1.00 . A A . 10 ASN ND2 1 1 20 4402 1 1 10 ASN O O 3.701 -5.165 -0.414 1.00 . A A . 10 ASN O 1 1 20 4403 1 1 10 ASN OD1 O -1.064 -6.184 1.787 1.00 . A A . 10 ASN OD1 1 1 20 4404 1 1 11 LYS C C 4.163 -2.650 -2.687 1.00 . A A . 11 LYS C 1 1 20 4405 1 1 11 LYS CA C 3.371 -3.932 -2.838 1.00 . A A . 11 LYS CA 1 1 20 4406 1 1 11 LYS CB C 2.670 -3.945 -4.185 1.00 . A A . 11 LYS CB 1 1 20 4407 1 1 11 LYS CD C 1.267 -5.237 -5.824 1.00 . A A . 11 LYS CD 1 1 20 4408 1 1 11 LYS CE C 0.522 -6.541 -6.082 1.00 . A A . 11 LYS CE 1 1 20 4409 1 1 11 LYS CG C 1.931 -5.242 -4.465 1.00 . A A . 11 LYS CG 1 1 20 4410 1 1 11 LYS H H 1.521 -3.612 -1.981 1.00 . A A . 11 LYS H 1 1 20 4411 1 1 11 LYS HA H 4.031 -4.784 -2.788 1.00 . A A . 11 LYS HA 1 1 20 4412 1 1 11 LYS HB2 H 1.981 -3.112 -4.213 1.00 . A A . 11 LYS HB2 1 1 20 4413 1 1 11 LYS HB3 H 3.400 -3.763 -4.950 1.00 . A A . 11 LYS HB3 1 1 20 4414 1 1 11 LYS HD2 H 0.568 -4.416 -5.868 1.00 . A A . 11 LYS HD2 1 1 20 4415 1 1 11 LYS HD3 H 2.023 -5.108 -6.584 1.00 . A A . 11 LYS HD3 1 1 20 4416 1 1 11 LYS HE2 H 0.116 -6.519 -7.082 1.00 . A A . 11 LYS HE2 1 1 20 4417 1 1 11 LYS HE3 H 1.222 -7.358 -5.998 1.00 . A A . 11 LYS HE3 1 1 20 4418 1 1 11 LYS HG2 H 2.632 -6.062 -4.424 1.00 . A A . 11 LYS HG2 1 1 20 4419 1 1 11 LYS HG3 H 1.176 -5.379 -3.704 1.00 . A A . 11 LYS HG3 1 1 20 4420 1 1 11 LYS HZ1 H -1.067 -7.657 -5.303 1.00 . A A . 11 LYS HZ1 1 1 20 4421 1 1 11 LYS HZ2 H -1.287 -5.992 -5.206 1.00 . A A . 11 LYS HZ2 1 1 20 4422 1 1 11 LYS HZ3 H -0.248 -6.758 -4.139 1.00 . A A . 11 LYS HZ3 1 1 20 4423 1 1 11 LYS N N 2.388 -4.037 -1.805 1.00 . A A . 11 LYS N 1 1 20 4424 1 1 11 LYS NZ N -0.584 -6.753 -5.125 1.00 . A A . 11 LYS NZ 1 1 20 4425 1 1 11 LYS O O 5.140 -2.411 -3.412 1.00 . A A . 11 LYS O 1 1 20 4426 1 1 12 HIS C C 4.686 -0.242 -0.065 1.00 . A A . 12 HIS C 1 1 20 4427 1 1 12 HIS CA C 4.366 -0.530 -1.552 1.00 . A A . 12 HIS CA 1 1 20 4428 1 1 12 HIS CB C 3.418 0.556 -2.106 1.00 . A A . 12 HIS CB 1 1 20 4429 1 1 12 HIS CD2 C 2.055 -0.196 -4.154 1.00 . A A . 12 HIS CD2 1 1 20 4430 1 1 12 HIS CE1 C 3.339 0.488 -5.741 1.00 . A A . 12 HIS CE1 1 1 20 4431 1 1 12 HIS CG C 3.101 0.413 -3.565 1.00 . A A . 12 HIS CG 1 1 20 4432 1 1 12 HIS H H 3.059 -2.114 -1.111 1.00 . A A . 12 HIS H 1 1 20 4433 1 1 12 HIS HA H 5.282 -0.497 -2.123 1.00 . A A . 12 HIS HA 1 1 20 4434 1 1 12 HIS HB2 H 2.482 0.481 -1.572 1.00 . A A . 12 HIS HB2 1 1 20 4435 1 1 12 HIS HB3 H 3.827 1.538 -1.932 1.00 . A A . 12 HIS HB3 1 1 20 4436 1 1 12 HIS HD1 H 4.751 1.354 -4.509 1.00 . A A . 12 HIS HD1 1 1 20 4437 1 1 12 HIS HD2 H 1.247 -0.677 -3.617 1.00 . A A . 12 HIS HD2 1 1 20 4438 1 1 12 HIS HE1 H 3.763 0.644 -6.720 1.00 . A A . 12 HIS HE1 1 1 20 4439 1 1 12 HIS N N 3.766 -1.835 -1.737 1.00 . A A . 12 HIS N 1 1 20 4440 1 1 12 HIS ND1 N 3.909 0.852 -4.590 1.00 . A A . 12 HIS ND1 1 1 20 4441 1 1 12 HIS NE2 N 2.202 -0.149 -5.530 1.00 . A A . 12 HIS NE2 1 1 20 4442 1 1 12 HIS O O 4.359 0.840 0.437 1.00 . A A . 12 HIS O 1 1 20 4443 1 1 13 PRO C C 6.894 0.096 2.211 1.00 . A A . 13 PRO C 1 1 20 4444 1 1 13 PRO CA C 5.759 -0.926 2.077 1.00 . A A . 13 PRO CA 1 1 20 4445 1 1 13 PRO CB C 6.204 -2.305 2.560 1.00 . A A . 13 PRO CB 1 1 20 4446 1 1 13 PRO CD C 6.010 -2.427 0.167 1.00 . A A . 13 PRO CD 1 1 20 4447 1 1 13 PRO CG C 6.765 -2.966 1.351 1.00 . A A . 13 PRO CG 1 1 20 4448 1 1 13 PRO HA H 4.900 -0.581 2.635 1.00 . A A . 13 PRO HA 1 1 20 4449 1 1 13 PRO HB2 H 6.949 -2.191 3.333 1.00 . A A . 13 PRO HB2 1 1 20 4450 1 1 13 PRO HB3 H 5.354 -2.847 2.947 1.00 . A A . 13 PRO HB3 1 1 20 4451 1 1 13 PRO HD2 H 6.683 -2.246 -0.658 1.00 . A A . 13 PRO HD2 1 1 20 4452 1 1 13 PRO HD3 H 5.232 -3.114 -0.128 1.00 . A A . 13 PRO HD3 1 1 20 4453 1 1 13 PRO HG2 H 7.814 -2.729 1.260 1.00 . A A . 13 PRO HG2 1 1 20 4454 1 1 13 PRO HG3 H 6.629 -4.035 1.425 1.00 . A A . 13 PRO HG3 1 1 20 4455 1 1 13 PRO N N 5.425 -1.150 0.659 1.00 . A A . 13 PRO N 1 1 20 4456 1 1 13 PRO O O 7.390 0.389 3.306 1.00 . A A . 13 PRO O 1 1 20 4457 1 1 14 ASP C C 7.812 2.922 1.535 1.00 . A A . 14 ASP C 1 1 20 4458 1 1 14 ASP CA C 8.296 1.618 0.924 1.00 . A A . 14 ASP CA 1 1 20 4459 1 1 14 ASP CB C 8.609 1.813 -0.563 1.00 . A A . 14 ASP CB 1 1 20 4460 1 1 14 ASP CG C 9.660 2.860 -0.812 1.00 . A A . 14 ASP CG 1 1 20 4461 1 1 14 ASP H H 6.828 0.254 0.276 1.00 . A A . 14 ASP H 1 1 20 4462 1 1 14 ASP HA H 9.191 1.286 1.427 1.00 . A A . 14 ASP HA 1 1 20 4463 1 1 14 ASP HB2 H 8.960 0.880 -0.975 1.00 . A A . 14 ASP HB2 1 1 20 4464 1 1 14 ASP HB3 H 7.705 2.106 -1.075 1.00 . A A . 14 ASP HB3 1 1 20 4465 1 1 14 ASP N N 7.283 0.610 1.065 1.00 . A A . 14 ASP N 1 1 20 4466 1 1 14 ASP O O 8.378 3.410 2.509 1.00 . A A . 14 ASP O 1 1 20 4467 1 1 14 ASP OD1 O 10.860 2.537 -0.734 1.00 . A A . 14 ASP OD1 1 1 20 4468 1 1 14 ASP OD2 O 9.312 4.019 -1.106 1.00 . A A . 14 ASP OD2 1 1 20 4469 1 1 15 LEU C C 5.158 4.402 2.559 1.00 . A A . 15 LEU C 1 1 20 4470 1 1 15 LEU CA C 6.192 4.691 1.485 1.00 . A A . 15 LEU CA 1 1 20 4471 1 1 15 LEU CB C 5.605 5.614 0.373 1.00 . A A . 15 LEU CB 1 1 20 4472 1 1 15 LEU CD1 C 3.817 6.298 -1.266 1.00 . A A . 15 LEU CD1 1 1 20 4473 1 1 15 LEU CD2 C 4.479 3.918 -1.156 1.00 . A A . 15 LEU CD2 1 1 20 4474 1 1 15 LEU CG C 4.297 5.188 -0.349 1.00 . A A . 15 LEU CG 1 1 20 4475 1 1 15 LEU H H 6.340 3.039 0.202 1.00 . A A . 15 LEU H 1 1 20 4476 1 1 15 LEU HA H 7.030 5.187 1.943 1.00 . A A . 15 LEU HA 1 1 20 4477 1 1 15 LEU HB2 H 5.421 6.580 0.818 1.00 . A A . 15 LEU HB2 1 1 20 4478 1 1 15 LEU HB3 H 6.372 5.742 -0.377 1.00 . A A . 15 LEU HB3 1 1 20 4479 1 1 15 LEU HD11 H 4.577 6.510 -2.003 1.00 . A A . 15 LEU HD11 1 1 20 4480 1 1 15 LEU HD12 H 3.615 7.186 -0.685 1.00 . A A . 15 LEU HD12 1 1 20 4481 1 1 15 LEU HD13 H 2.913 5.980 -1.763 1.00 . A A . 15 LEU HD13 1 1 20 4482 1 1 15 LEU HD21 H 4.654 3.085 -0.492 1.00 . A A . 15 LEU HD21 1 1 20 4483 1 1 15 LEU HD22 H 5.328 4.037 -1.810 1.00 . A A . 15 LEU HD22 1 1 20 4484 1 1 15 LEU HD23 H 3.591 3.734 -1.743 1.00 . A A . 15 LEU HD23 1 1 20 4485 1 1 15 LEU HG H 3.530 5.021 0.393 1.00 . A A . 15 LEU HG 1 1 20 4486 1 1 15 LEU N N 6.745 3.464 0.980 1.00 . A A . 15 LEU N 1 1 20 4487 1 1 15 LEU O O 5.029 5.147 3.521 1.00 . A A . 15 LEU O 1 1 20 4488 1 1 16 CYS C C 4.056 1.908 4.311 1.00 . A A . 16 CYS C 1 1 20 4489 1 1 16 CYS CA C 3.464 2.927 3.354 1.00 . A A . 16 CYS CA 1 1 20 4490 1 1 16 CYS CB C 2.264 2.355 2.638 1.00 . A A . 16 CYS CB 1 1 20 4491 1 1 16 CYS H H 4.502 2.723 1.626 1.00 . A A . 16 CYS H 1 1 20 4492 1 1 16 CYS HA H 3.154 3.804 3.899 1.00 . A A . 16 CYS HA 1 1 20 4493 1 1 16 CYS HB2 H 2.592 1.521 2.033 1.00 . A A . 16 CYS HB2 1 1 20 4494 1 1 16 CYS HB3 H 1.571 2.002 3.376 1.00 . A A . 16 CYS HB3 1 1 20 4495 1 1 16 CYS N N 4.433 3.316 2.403 1.00 . A A . 16 CYS N 1 1 20 4496 1 1 16 CYS O O 3.987 0.701 4.074 1.00 . A A . 16 CYS O 1 1 20 4497 1 1 16 CYS SG S 1.404 3.533 1.539 1.00 . A A . 16 CYS SG 1 1 20 4498 1 1 17 NH2 HN1 H 4.670 3.360 5.487 1.00 . A A . 17 NH2 HN1 1 1 20 4499 1 1 17 NH2 HN2 H 5.066 1.758 6.003 1.00 . A A . 17 NH2 HN2 1 1 20 4500 1 1 17 NH2 N N 4.658 2.387 5.371 1.00 . A A . 17 NH2 N 1 1 stop_ save_
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